smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1ccc(N2C(=O)[C@@H](Br)SC2=S)cc1 6070909 KFRHCUCDSCFAAJ-QMMMGPOBSA-N 302.218 3.081 10 10 DGCE CN(Cc1ccccc1O)C(=O)C[C@H]1CCOc2ccccc21 117971114 RYDLQLPXJGCTNR-CQSZACIVSA-N 311.381 3.307 10 10 DGCE COc1cccc(CCN[C@@H](C)c2cc(OC)ccc2O)c1 185040427 SDFYSYPTFPWLSB-ZDUSSCGKSA-N 301.386 3.303 10 10 DGCE Cc1nn(C)c(C)c1C[C@H](C)N[C@@H](C)c1ccc(F)c(F)c1O 187735615 LMKDNNFYOONJCG-UWVGGRQHSA-N 323.387 3.303 10 10 DGCE C[C@H](N[C@H](C)c1nnc2n1CCCC2)c1ccc(F)c(F)c1O 187738938 PNVROBRFAKPNIE-VHSXEESVSA-N 322.359 3.010 10 10 DGCE COCC[C@H](COC)N[C@@H](C)c1ccc2ccccc2c1O 320464303 KYOBWCWMWXPWHQ-DZGCQCFKSA-N 303.402 3.248 10 10 DGCE CNCc1ccc(N(C)[C@H]2CCN(Cc3ccccc3)C2)c(C)c1 383462007 JMKAHCCMYCZCCR-FQEVSTJZSA-N 323.484 3.425 10 10 DGCE COc1cc(C)cc(CN2CCC[C@@H](C(F)(F)F)C2)c1O 192484000 VVOQZXPHVBJRKI-GFCCVEGCSA-N 303.324 3.484 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 528090553 ZWIPVXDDRMUOEX-DGAVXFQQSA-N 318.417 3.197 10 10 DGCE CCCN(CCC)c1ccc(CNC[C@]2(C)CCC(=O)N2)cc1 835061774 OBZIOKDTNPDMKY-IBGZPJMESA-N 317.477 3.071 10 10 DGCE CCO[C@@H]1C[C@@H](NCc2c(O)cc(C)cc2Cl)[C@@H]1SC 842767854 LKFWEXRGYIZZJA-YUELXQCFSA-N 315.866 3.353 10 10 DGCE COC[C@@H](CC(C)(C)C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O 848564916 RWVJVUIAJQLREW-NWDGAFQWSA-N 310.394 3.402 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)/C=C3\CC[C@H](C)C3)C2)cc1 855233610 JAJPQWCZCVUXFT-NEWSFODOSA-N 314.429 3.137 10 10 DGCE C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C1CCC(F)CC1 856080570 LBJSCIAIDSSKCH-UDUMQJOISA-N 307.365 3.144 10 10 DGCE CCOc1ccc(O)c(CN[C@]2(CO)CCCC(C)(C)C2)c1 858250126 ACFHLLCVBRUHPM-GOSISDBHSA-N 307.434 3.212 10 10 DGCE CCO[C@H](CN1CCCN(c2ccc(OC)cc2)CC1)C1CC1 859086882 PVOHKFIXIDCHEV-LJQANCHMSA-N 318.461 3.022 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@@H](C)c3ccccc3O)C2)cc1 850489817 XEBZYAHFMNNNNZ-LSDHHAIUSA-N 312.413 3.330 10 10 DGCE CCOc1ccc(CN2CCCC[C@H](N3CCCC3)C2)c(O)c1 769234621 XJXYVPOCDKHKJR-KRWDZBQOSA-N 318.461 3.241 10 10 DGCE C[C@H]1CC[C@@H](C)CN1Cc1ccc(N2CCN(C)CC2)c(F)c1 1116444984 KPTWBHNDRFFBDG-CVEARBPZSA-N 319.468 3.198 10 10 DGCE CC[C@@H](NCc1ccc2c(c1)CCCN2C)[C@@H]1CCCOC1 872029555 RUJPXVDIJDWZEF-QZTJIDSGSA-N 302.462 3.364 10 10 DGCE CO[C@H](C)c1nc(C)c(C(=O)N2Cc3cccc(O)c3C2)s1 871203705 QKRJOUVBWHQRSP-SNVBAGLBSA-N 318.398 3.021 10 10 DGCE CC(C)[C@H](NC(=O)N(C)Cc1ccccc1O)C(F)(F)F 787492513 ZDLJTUYFFDDTRL-LBPRGKRZSA-N 304.312 3.121 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2C[C@H](C)O[C@H]2C)cc1 1135946114 GJSPYKMHGBXHIZ-RLFYNMQTSA-N 318.461 3.305 10 10 DGCE COc1ccc(N(C)C(=O)/C=C\c2ccc(Cl)nc2)cc1 1130574366 HILVOIJRFXNRHE-WMZJFQQLSA-N 302.761 3.420 10 10 DGCE Cc1ccc(O)c(CNC(=O)[C@H](C)Oc2ccccc2Cl)c1 1301046550 FRCGYWJGWSWKFU-LBPRGKRZSA-N 319.788 3.438 10 10 DGCE c1cc(N2CCCC2)ccc1CNc1ccc2c(c1)OCCNC2 1329135433 QPBRFAOCBNKZPP-UHFFFAOYSA-N 323.440 3.381 10 10 DGCE C[C@@H](CNCc1cccc(Br)c1O)c1ccccn1 709612198 WDDSHABDNALCGG-NSHDSACASA-N 321.218 3.443 10 10 DGCE CC(C)[C@H](C(=O)NCc1cc(Cl)ccc1O)N1CCCCC1 1452947007 PGIAJOMVEFVFII-MRXNPFEDSA-N 324.852 3.172 10 10 DGCE CC(C)[C@H](CNC(=O)c1cccc(O)c1O)Cc1ccccc1 1467252923 KPHWOGNCSSFBMN-HNNXBMFYSA-N 313.397 3.343 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC/C=C\C1CC1 1470343814 QZDXHWYUTGTXHA-YVACAVLKSA-N 315.461 3.257 10 10 DGCE CC[C@H](C)CC(=O)N(C)[C@H](C)CNCc1ccc(OC)c(C)c1 1482275734 MKMUSMLKGHVTHV-GOEBONIOSA-N 320.477 3.376 10 10 DGCE CC(C)(C(=O)NCc1ccc(O)cc1O)c1ccccc1Cl 1557084575 GFWXYZCOBLBJAB-UHFFFAOYSA-N 319.788 3.345 10 10 DGCE C=C=CCNC(=O)NCCc1cc(C)n(-c2ccccc2)c1C 1565162098 LUGIOTNSQLJLIE-UHFFFAOYSA-N 309.413 3.277 10 10 DGCE CCSc1ccc(CC(=O)NCc2c(O)cccc2O)cc1 1639292617 KJVAAMGQLNYKTP-UHFFFAOYSA-N 317.410 3.069 10 10 DGCE Cc1ccc(C(=O)NCc2cccc(Cl)c2O)c(O)c1C 1653567378 WVUZPSAPYBNPLE-UHFFFAOYSA-N 305.761 3.298 10 10 DGCE O=C(NCCCSc1nccs1)NCCC1=CCCC1 151582829 IYIGZUKNRCESMT-UHFFFAOYSA-N 311.476 3.425 10 10 DGCE CN(CC1=CCSC1)c1ccc(CO)cc1Br 1916835448 QHMWUGBKPLIBCZ-UHFFFAOYSA-N 314.248 3.051 10 10 DGCE CSC[C@H](C)N(C)c1c(F)cc(CNC2CC2)cc1F 124241807 YHJXQUSNECTIIR-JTQLQIEISA-N 300.418 3.405 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1C=CC[C@@H]([C@H](N)c2ccccc2O)C1 1936976803 UPQQMCVEDHDJOL-IOASZLSFSA-N 318.417 3.252 10 10 DGCE CN(c1c(F)cc(CNC(C)(C)C)cc1F)C1CSC1 2145062566 XJZWHJAGUSGMOA-UHFFFAOYSA-N 300.418 3.405 10 10 DGCE C[C@H](O)c1cc(F)c(N(CCCO)Cc2ccccc2)c(F)c1 1990400265 NDVDJNOCBRCMMM-ZDUSSCGKSA-N 321.367 3.407 10 10 DGCE C[C@@H](N)c1cc(F)c(N(Cc2ccccc2)C2COC2)c(F)c1 1990444297 MVFOSFLTCRCXQI-GFCCVEGCSA-N 318.367 3.390 10 10 DGCE CNCc1cnc(Sc2ccc3c(c2)OCCCO3)s1 2155314458 SQIPMATUNVPAGQ-UHFFFAOYSA-N 308.428 3.175 10 10 DGCE CO[C@H](CNCc1c(O)cccc1Br)C1CCC1 706805292 XSZAAOPOQFZVLX-CQSZACIVSA-N 314.223 3.059 10 10 DGCE Oc1cccc(CNc2ncnc3sc4c(c23)CCC4)c1O 2060411953 DAKGHJDJQUEANJ-UHFFFAOYSA-N 313.382 3.203 10 10 DGCE COC(=O)c1cc(C2CC2)nn1[C@H](C)c1ccc(C)cc1O 2069961922 XYHJRKFXPUXFCS-LLVKDONJSA-N 300.358 3.170 10 10 DGCE Cn1c(-c2ccc(O)c(O)c2)nc2c(Br)cccc21 2094835977 UCXBWSZUFMKONF-UHFFFAOYSA-N 319.158 3.414 10 10 DGCE CN(C[C@@H]1C[C@H]1C(F)F)c1ccc(CO)c(Br)c1 2041774765 IVDXFLYQVFIXBU-GXSJLCMTSA-N 320.177 3.279 10 10 DGCE C[C@H](NCc1csc(C(F)F)n1)c1cc(O)ccc1O 2188735022 HZDJBFLGOJVAIB-ZETCQYMHSA-N 300.330 3.343 10 10 DGCE CC[C@]1(C)C[C@H](NCc2c(O)cccc2Br)CO1 2069118455 SLMAHLCLFNFTCJ-IINYFYTJSA-N 314.223 3.202 10 10 DGCE Cn1nc(CNCc2cc(Cl)ccc2O)c(Cl)c1Cl 2094364524 PPQPGQNRNKHMQI-UHFFFAOYSA-N 320.607 3.376 10 10 DGCE CN[C@@H](C)c1ccc(N2CC(P(C)(C)=O)C2)cc1Cl 2270657549 ACQPZDBBIHQMPN-JTQLQIEISA-N 300.770 3.432 10 10 DGCE CSc1ncc(CNCCC[C@H](CCN)C(C)C)s1 2269305675 ZAWUYNHHOKIDBD-GFCCVEGCSA-N 301.525 3.356 10 10 DGCE CCN[C@H](CSc1nccs1)c1cn(C)nc1C(F)F 2286534222 GMVJMXOMSBLAJK-SECBINFHSA-N 318.418 3.257 10 10 DGCE Cc1nc2c(s1)CN(c1cc(Cl)c(CN)cc1F)CC2 2287057818 LJBMMCHLMNUPMP-UHFFFAOYSA-N 311.813 3.265 10 10 DGCE O=C(/C=C\c1cnccn1)N1CCc2c1cccc2C(F)(F)F 492599340 XKNFPUCCBSTVSN-PLNGDYQASA-N 319.286 3.098 10 10 DGCE CC(C)CN1C(=O)C(=Cc2ccccc2[N+](=O)[O-])SC1=S 2323700841 LQXYCQWSUMTKHD-UHFFFAOYSA-N 322.411 3.452 10 10 DGCE CCN1C(=O)C(=Cc2c(C)nc3scc(C)n23)SC1=S 2323702276 IQWAGWPFZDMFCD-UHFFFAOYSA-N 323.468 3.234 10 10 DGCE OCc1ccc(N2CC=C(C(F)(F)F)C2)c(Br)c1 2318099778 SENXCNPWDIRPFE-UHFFFAOYSA-N 322.124 3.250 10 10 DGCE CCN[C@H](C)c1ccc(N2CCn3ccnc3C2)c(Cl)c1 62252966 ROJHDBTWTBXBBW-GFCCVEGCSA-N 304.825 3.227 10 10 DGCE CN(C(=O)c1ccc(Br)cc1)c1ccc(N)cc1 20374198 WGRPTVJKHDMOIE-UHFFFAOYSA-N 305.175 3.308 10 10 DGCE Cc1cc(O)c(O)cc1CCNC(=O)c1c(F)cccc1Cl 170216120 ZLIDWFJEOLURTR-UHFFFAOYSA-N 323.751 3.171 10 10 DGCE CCCC(=O)Nc1cccc(NC(=O)Cc2ccc(N)cc2)c1 66153925 XBOPLSBWQYJWEX-UHFFFAOYSA-N 311.385 3.189 10 10 DGCE Cc1ccc(O)c([C@@H](C)N[C@@H]2CCN(c3ccccc3)C2=O)c1 185812731 KAACORXIBABBHC-RHSMWYFYSA-N 310.397 3.157 10 10 DGCE CCCN[C@@](CSc1nccs1)(C(=O)O)[C@H]1CC1(C)C 2366585635 IMBCJVNNHYKIOP-IINYFYTJSA-N 314.476 3.104 10 10 DGCE COc1ccc(N2CCN[C@H](c3ccccc3)C2)cc1Cl 86130043 BZFBQAGKZAIBKL-INIZCTEOSA-N 302.805 3.500 10 10 DGCE COc1cccc(CN(CCc2nccs2)C(C)C)c1O 93764274 VCBUFAKUNVLHDG-UHFFFAOYSA-N 306.431 3.310 10 10 DGCE CCN(Cc1ccc(OC)cc1O)C[C@H](O)c1ccc(C)cc1 93641252 PHYNFKQFVSHALA-IBGZPJMESA-N 315.413 3.265 10 10 DGCE COC(=O)c1ccc(O)c([C@@H](C)NCCc2ccsc2)c1 273380718 IBQNIQPNJXJIGK-LLVKDONJSA-N 305.399 3.134 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)C1CCC(=O)CC1 801548760 OZVWCNIQDBOCAU-UHFFFAOYSA-N 303.402 3.280 10 10 DGCE Cc1cc(CN2CCC3(C2)Oc2ccccc2O3)ccc1N(C)C 815119891 JWRNWXLXYOWKTK-UHFFFAOYSA-N 324.424 3.434 10 10 DGCE C[C@H](NCC1(CCO)CC1)c1cccc(C(F)(F)F)c1O 815618322 JIICJZQBGRWWIL-JTQLQIEISA-N 303.324 3.224 10 10 DGCE CCOc1ccc(O)c(CN2Cc3c[nH]nc3CC(C)(C)C2)c1 828014165 VYUJHQOOHGCVQK-UHFFFAOYSA-N 315.417 3.099 10 10 DGCE C[C@H]1Cc2cccc(C(=O)NCc3ccc(N(C)C)cc3)c2O1 823729456 HAHDKYFGKVRCNB-ZDUSSCGKSA-N 310.397 3.006 10 10 DGCE C[C@@H](N[C@@H](CO)CCc1ccccc1)c1cc(F)ccc1O 903292868 NAPDHLYOWOSLLT-CZUORRHYSA-N 303.377 3.176 10 10 DGCE CN(C)C[C@@H](Cc1ccccc1)N[C@H]1CCc2cccc(O)c21 834527090 VEGFWCBHRTYRSW-MSOLQXFVSA-N 310.441 3.142 10 10 DGCE c1csc(SCCCN[C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@H]23)n1 902809429 SGXUUAYXHSJABA-QSLWVIQJSA-N 310.488 3.028 10 10 DGCE CN(C)c1ccc(/C=C\CNCCC(=O)Nc2ccccc2)cc1 835040514 QJURABQSWGAFMW-SREVYHEPSA-N 323.440 3.384 10 10 DGCE Cc1nccn1C[C@@H](C)CNC/C=C\c1ccc(N(C)C)cc1 835035520 IVWCBYFTQRORQC-KJPDOMRESA-N 312.461 3.197 10 10 DGCE CN(C)c1ccc(CNC(=O)C[C@@H]2OCc3ccccc32)cc1 846783674 CCBGISOLDYARPM-SFHVURJKSA-N 310.397 3.030 10 10 DGCE C[C@@H](N[C@@H](C1CCOCC1)C1CC1)c1cc([N+](=O)[O-])ccc1O 846190462 XYNZBCYAPPDBTO-PIGZYNQJSA-N 320.389 3.156 10 10 DGCE Cc1cc(O)c(CNC[C@H](O)c2ccc(F)cc2)c(Cl)c1 840875260 LCZMOKDJCFNMTL-INIZCTEOSA-N 309.768 3.316 10 10 DGCE O=C(Nc1cccc(N2CCOCC2)c1)c1cccc2[nH]ccc12 747367053 KZOHXJBBVVCJEU-UHFFFAOYSA-N 321.380 3.257 10 10 DGCE C[C@@H]1C[C@H](NC[C@]23CCC[C@H]2NCC3)c2c(O)ccc(F)c21 925846011 MXUXDABOVUUCQB-VPSJLMRDSA-N 304.409 3.201 10 10 DGCE C[C@@H](N[C@H]1CCCc2cccnc21)c1cc([N+](=O)[O-])ccc1O 927063231 ABXLOVQLQHPAQQ-ABAIWWIYSA-N 313.357 3.424 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)C(F)=C3CCCC3)C2)cc1 855233891 OQUGRQMQXQESOT-CQSZACIVSA-N 318.392 3.188 10 10 DGCE COc1cc(CNCC[C@H]2CCOC2)c(O)c(C(C)(C)C)c1 850245900 UGVJAGZNJPPIPR-ZDUSSCGKSA-N 307.434 3.215 10 10 DGCE CCOC1(CNC(=O)N[C@@H](C)c2ccccc2O)CCCC1 868650372 GXHBBTZXZLORCM-ZDUSSCGKSA-N 306.406 3.102 10 10 DGCE COc1c([N+](=O)[O-])ccc(CNC2CCC(C)(C)CC2)c1O 775022724 FUXZCQDHVAQGIT-UHFFFAOYSA-N 308.378 3.367 10 10 DGCE CC[C@@](C)(NC(=O)NCc1ccc(N(C)C)c(F)c1)C1CC1 1118593579 SWZLAKXNKSMSLO-QGZVFWFLSA-N 307.413 3.270 10 10 DGCE Cc1cc(C(=O)N2Cc3cccc(O)c3C2)nn1[C@@H](C)C1CC1 871203484 ASPVJUVQTNFQQR-LBPRGKRZSA-N 311.385 3.024 10 10 DGCE CN(C)c1ccc(CN[C@@H]2CCN(Cc3ccccc3)C2)cc1 72670555 VLIUMFJHYZFBJP-LJQANCHMSA-N 309.457 3.117 10 10 DGCE COc1ccc(N2CC[C@@H](CNC3CCCCC3)C2)cc1OC 76378838 ZSZYBHWKZFCHGJ-HNNXBMFYSA-N 318.461 3.452 10 10 DGCE C[C@@H]1[C@H](NCc2cccc(F)c2O)CCN1C(=O)OC(C)(C)C 704615927 KQTZPBVVNHEERV-BXUZGUMPSA-N 324.396 3.019 10 10 DGCE CN(C)c1ccc(Cl)cc1NC(=O)c1cccc(O)c1O 1142863379 SIKJUROXJGWNNS-UHFFFAOYSA-N 306.749 3.070 10 10 DGCE CN(C)c1ccc(NCc2ccc(Br)cc2O)cn1 691439218 BWNRLUULQDCFLI-UHFFFAOYSA-N 322.206 3.228 10 10 DGCE NCc1ccc(N2CCC[C@H](CCF)C2)cc1Br 689377834 MZIJCUKZLTUIFQ-LLVKDONJSA-N 315.230 3.484 10 10 DGCE Cc1cccc(-n2c(C)cc(C(=O)N[C@@H]3COC[C@@H]3C)c2C)c1 1156327074 VDUZNLPGZNLUEN-SCLBCKFNSA-N 312.413 3.167 10 10 DGCE CCON(C)C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C 1234326478 JZQPWCZGCKUIKZ-UHFFFAOYSA-N 315.417 3.495 10 10 DGCE COc1ccc(C[C@H](C)N(C)Cc2c(O)cccc2OC)cc1 1319716452 PUORDOOPUJZUOR-AWEZNQCLSA-N 315.413 3.472 10 10 DGCE CCN[C@]1(CO)C[C@H](CC)C[C@H](Sc2nccs2)C1 2118791890 WNRYEBAOJDFLHC-MBNYWOFBSA-N 300.493 3.155 10 10 DGCE CCCN(Cc1cnn(C)c1Br)c1ccc(N)cc1 2116617338 JEBJJUGXXNWZAQ-UHFFFAOYSA-N 323.238 3.181 10 10 DGCE Cc1ccc(CN2CCSC2=O)c(O)c1Br 1905141049 DKSJXAFVSGTCOA-UHFFFAOYSA-N 302.193 3.132 10 10 DGCE C[C@H]1[C@H](C)CN1c1ccc(C=CC(=O)O)c(Br)c1 1911854818 BVWPSZZSZPBVDW-ZJUUUORDSA-N 310.191 3.392 10 10 DGCE Cc1cc(C(=O)N(C)CCCN=[N+]=[N-])oc1Br 1912157438 XVUHFELHDWAUHG-UHFFFAOYSA-N 301.144 3.123 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)NCc2ccc(Cl)s2)cc1 1463863919 LTMDQMFPNSJCMQ-UHFFFAOYSA-N 322.777 3.494 10 10 DGCE CCC[C@@H](C)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 1539707379 RCXHWQOUAIWBBG-CRAIPNDOSA-N 319.493 3.298 10 10 DGCE COc1cc(N2CCC(C(C)C)CC2)c([N+](=O)[O-])cc1OC 1611980174 VRZWPJZRKJZQQV-UHFFFAOYSA-N 308.378 3.484 10 10 DGCE O=C(c1cc(O)cs1)N1CC(Cc2ccc(Cl)cc2)C1 1621073322 MPXXIIVDAVCSGI-UHFFFAOYSA-N 307.802 3.422 10 10 DGCE CC1(C)C[C@@]1(C(=O)NCc1c(O)cccc1O)c1ccccc1 1639292503 GFBLCESJGRFYEM-IBGZPJMESA-N 311.381 3.082 10 10 DGCE O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@H]1CCC=CO1 1638269436 XUFYIAOTDCRZEQ-CQSZACIVSA-N 320.352 3.028 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N1CC2(CCC2)c2ccccc21 1567546610 BWXMTEUYZXDOQM-UHFFFAOYSA-N 309.365 3.109 10 10 DGCE COc1ccc(N(C)CC(=O)Nc2c(F)cccc2F)cc1 1654124470 OLLAERXEPJVFTE-UHFFFAOYSA-N 306.312 3.048 10 10 DGCE C[C@H](NCc1ccc(Br)cn1)c1cc(O)ccc1O 1927138244 XSWRPLGRSLZMPI-VIFPVBQESA-N 323.190 3.106 10 10 DGCE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)[C@H](N)c1ccccc1O 1928474956 RZRVAULCUBSEFG-GLQYFDAESA-N 308.422 3.331 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccccc2N)CC1 1959374863 YFYAWWUWCRPHEI-CYBMUJFWSA-N 305.422 3.470 10 10 DGCE Cc1ccc(F)c(CCNC(=O)N[C@@H](C)c2ccccc2O)c1 1682405941 BPNPFVOIWOPYGJ-ZDUSSCGKSA-N 316.376 3.443 10 10 DGCE Cc1ccnc(Nc2cccc3c2C(=O)c2ccccc2C3=O)n1 1859832621 CXJHJDUFVNUSIG-UHFFFAOYSA-N 315.332 3.304 10 10 DGCE CCN(CC)c1ccc(CNCCC(=O)OC2CCCC2)cc1 1857869602 MJQFLBWBAREPMX-UHFFFAOYSA-N 318.461 3.498 10 10 DGCE COC1(CNCc2cc(Cl)ccc2O)CCSCC1 1879927243 DATULYPENBAXCB-UHFFFAOYSA-N 301.839 3.047 10 10 DGCE CC(C)SC1CN(c2ccc(CO)c(Br)c2)C1 1948313610 GAMCFDYHAHWGOO-UHFFFAOYSA-N 316.264 3.272 10 10 DGCE C[C@@H](CNCc1cc(Cl)cc(Cl)c1O)c1cnn(C)c1 2147088627 QYWNZFZZUICKKG-VIFPVBQESA-N 314.216 3.326 10 10 DGCE O=C(NCc1cc2sccc2s1)c1cccc(O)c1O 1969722282 FCRUPCGNDWYZTO-UHFFFAOYSA-N 305.380 3.304 10 10 DGCE Nc1ccc(CNC(=O)c2cc(F)cc(Br)c2)cc1 37666333 ZZOKJXIGOXBEDK-UHFFFAOYSA-N 323.165 3.100 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@](C)(CNCc2ccccc2O)C1 281789220 XPTDCYYNPBLEAC-SFHVURJKSA-N 320.433 3.129 10 10 DGCE C[C@H](O)c1ccc(N2CC3CC2(CF)C3)c(Br)c1 2030297354 JUFYUFMHGIMAGQ-IPWFMCSPSA-N 314.198 3.441 10 10 DGCE CC(C)(C)OC(=O)N1CCCCCC[C@H]1[C@@H]1CCCC(=O)C1=O 300830398 CGBBIZJKDWTNRU-KBPBESRZSA-N 323.433 3.495 10 10 DGCE COC(C)(C)CN(C)Cc1ccc(C)c(Br)c1O 2327798643 KINBFLHUZPYTLS-UHFFFAOYSA-N 316.239 3.320 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1 705942976 WJPHCLAWCMNOAI-NSISKUIASA-N 322.452 3.308 10 10 DGCE C[C@H](NCc1cc(Cl)cc(Cl)c1O)c1cnn(C)c1 387973676 ZNJUGGAAPOKXQS-QMMMGPOBSA-N 300.189 3.283 10 10 DGCE C[C@H]1CCOCC[C@H]1NCc1ccc(Br)cc1O 2046728469 VKKBWAFNEUBVBF-GXFFZTMASA-N 314.223 3.059 10 10 DGCE Cc1cc(CO)ccc1N(C)C[C@@]1(Br)CC1(F)F 2082517093 GUMLOUDDMZAWGV-LBPRGKRZSA-N 320.177 3.096 10 10 DGCE [N-]=[N+]=N[C@@H]1CCN(C(=O)Nc2ccccc2Br)C1 2220115104 ZNEZWYYLTDOBSQ-MRVPVSSYSA-N 310.155 3.366 10 10 DGCE COc1ccc(Br)c(CN[C@H](C)C2(C)CC2)c1O 2220462362 KILWLGYWZDVJNT-SECBINFHSA-N 314.223 3.442 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)NCc1ccc(Cl)cc1F 2310345549 AQSPAMDHRVOYHH-UHFFFAOYSA-N 321.735 3.220 10 10 DGCE CC[C@@H](N)c1cncn1Cc1ccc(C)c(Br)c1O 2352620811 UPSSHLZXCPVRQK-LLVKDONJSA-N 324.222 3.118 10 10 DGCE Nc1ccc(Cn2nncc2-c2ccc3c(c2)CCCC3)cc1 62428325 ODULAQWNMDXVGL-UHFFFAOYSA-N 304.397 3.454 10 10 DGCE CCNCc1cc(F)c(N2C[C@@H](C)S[C@H](C)C2)c(F)c1 70384458 UTOJZECMJKTCKM-GHMZBOCLSA-N 300.418 3.405 10 10 DGCE CN(C)c1ccc2c(c1)[C@H](CN)N(Cc1ccccc1Cl)C2 71683321 UQGDAVQEIRMRHA-SFHVURJKSA-N 315.848 3.422 10 10 DGCE CN[C@H](C)c1ccc(N(CCOC)[C@@H](C)COC)cc1Cl 78906671 JTJWAIHYVHTBHH-QWHCGFSZSA-N 314.857 3.108 10 10 DGCE CCOC(=O)CN(Cc1cccc(OCC)c1O)C1CCCC1 93687018 OAUXACIBGGPUHL-UHFFFAOYSA-N 321.417 3.099 10 10 DGCE C[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1ccncc1 125423693 WGQUOLUJBJGPJB-CQSZACIVSA-N 324.428 3.024 10 10 DGCE Cn1cc([C@@H]2CCN(Cc3ccc(N4CCCCC4)cc3)C2)cn1 128373900 MTLNIOFMWFIOCB-GOSISDBHSA-N 324.472 3.400 10 10 DGCE C[C@@H]1CC[C@@H](C)N(C(=O)NCCCSc2nccs2)C1 154577508 MZQJIESXCOELPU-VXGBXAGGSA-N 313.492 3.455 10 10 DGCE Cc1ccc(NC(=O)NCc2ccc(O)c(O)c2)cc1Cl 174373069 WUIPENCCAQCQJN-UHFFFAOYSA-N 306.749 3.381 10 10 DGCE C[C@@H](N[C@H](C)c1cc(F)ccc1O)c1ccc2c(c1)CC(=O)N2 185108588 ZERRTQAUBVNHCI-GHMZBOCLSA-N 314.360 3.438 10 10 DGCE C[C@H](N[C@@H]1CCN(CC2CCCC2)C1)c1cc(F)ccc1O 185595355 PEYHWRRXXUPDKU-XJKSGUPXSA-N 306.425 3.446 10 10 DGCE CCN(Cc1cc(Cl)cc(Cl)c1O)[C@@H](C)CN(C)C 232270729 GGMXWVAIXDFHAJ-JTQLQIEISA-N 305.249 3.471 10 10 DGCE N[C@@H]1C(=O)Nc2cc(N3CC[C@H]4CCCC[C@@H]43)c(Cl)cc21 250780936 RUOACPLIGYGGKO-DVJZZOLTSA-N 305.809 3.061 10 10 DGCE CN[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)[C@@H](C)[C@H]1C 252604365 OTEYGLKPFQKBNR-UHIISALHSA-N 302.340 3.408 10 10 DGCE NCc1ccc(N2CC[C@H](C(F)(F)F)C2)cc1Br 302515685 ZVQFRSPPPCAGBQ-VIFPVBQESA-N 323.156 3.296 10 10 DGCE COc1nc(Sc2nccs2)c(CNC(C)C)s1 310991397 GQGOTYYTJUURSI-UHFFFAOYSA-N 301.462 3.257 10 10 DGCE c1cc(N2CCCCC2)ccc1CN[C@@H]1CCN2CCC[C@@H]2C1 393443743 ZYZPXCLEBASQDT-UYAOXDASSA-N 313.489 3.393 10 10 DGCE Cc1cc(C)c([C@H](C)NC[C@H]2c3ccccc3C(=O)N2C)c(O)c1 528003523 PLVUGWJDXCACJQ-YOEHRIQHSA-N 324.424 3.487 10 10 DGCE CC(C)OC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 586480693 ZDXLVDMUJOTJBJ-UHFFFAOYSA-N 309.321 3.419 10 10 DGCE CCN(Cc1ccc(N)cc1)Cc1ccncc1Br 702866419 XYVBDWFGEFNJHO-UHFFFAOYSA-N 320.234 3.448 10 10 DGCE Cc1nc(C)c(CNCc2c(O)cccc2Br)o1 706821724 NHXWLWIFXCRNDW-UHFFFAOYSA-N 311.179 3.049 10 10 DGCE OCc1ccc(N2CCC[C@H](CF)C2)cc1Br 711522198 PVZQIHPYWGKSIS-SNVBAGLBSA-N 302.187 3.127 10 10 DGCE Nc1ncc(F)cc1OCc1cc(F)ccc1Br 723418306 WBPNXISTTSFHKY-UHFFFAOYSA-N 315.117 3.284 10 10 DGCE C[C@H]1CC(C)(C)C[C@@](CO)(NCc2ccc(N(C)C)cc2)C1 740008164 XIXXBRLXGAOQCM-KXBFYZLASA-N 304.478 3.420 10 10 DGCE CC(C)(C)[C@H]1CCN(Cc2cc(Cl)cc(F)c2O)C[C@@H]1O 757865408 GBWWKERSEQOXHU-JSGCOSHPSA-N 315.816 3.414 10 10 DGCE CN(C)c1ccc(CN[C@@H]2CCN(C)[C@@H]2c2ccccc2)cc1 758602591 MSZIOPLQRVVVFR-WOJBJXKFSA-N 309.457 3.288 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)Nc1nc2c(F)cccc2o1 784365106 DDWXJBMFDFCOEC-SECBINFHSA-N 302.305 3.421 10 10 DGCE C[C@H](NC(=O)c1cccc(O)c1O)c1ccc(F)cc1Cl 790747714 ZLIDCIBDGMJVTE-QMMMGPOBSA-N 309.724 3.381 10 10 DGCE COc1ccc(CNC(=O)c2c(C)oc3ccccc23)c(O)c1 794388253 SPQSQRYTVGDGLW-UHFFFAOYSA-N 311.337 3.385 10 10 DGCE C[C@@H](NC(=O)N[C@@H]1CCCC1(F)F)c1ccc(N(C)C)cc1 807139822 IJFSILBDZDPHLV-BXUZGUMPSA-N 311.376 3.301 10 10 DGCE Oc1ccc2c(c1)CN(Cc1c(O)cccc1Cl)CCO2 827656249 HROCCSRYZRFRGB-UHFFFAOYSA-N 305.761 3.146 10 10 DGCE COc1cc(O)c(CNCC(C)(C)CC(F)(F)F)cc1OC 827981518 WNHUCPRBFJHVSU-UHFFFAOYSA-N 321.339 3.478 10 10 DGCE CC1(C)CN(C(=O)Cc2ccc(N)cc2)CC[C@@H]1C(F)(F)F 832173261 PWZKIWHOFCLLAS-ZDUSSCGKSA-N 314.351 3.248 10 10 DGCE C[C@@H](N[C@H]1CCOC1(C)C)c1cc(Br)ccc1O 834875038 KMMGERBPEKWNDJ-RNCFNFMXSA-N 314.223 3.373 10 10 DGCE Cc1ccc(O[C@H]2CCN(Cc3c(O)cccc3Cl)C2)nc1 858010833 GYRAUDIOFYSEJL-ZDUSSCGKSA-N 318.804 3.402 10 10 DGCE CO[C@H]1C[C@@H](CN[C@H](C)c2cccc(C(F)(F)F)c2O)C1 858592481 DBIZOTGPKFOGEA-MXWKQRLJSA-N 303.324 3.487 10 10 DGCE COc1cccc(CNc2nc(C(C)C)nc3[nH]ccc23)c1O 865503066 RJBQKOKHFWSWPA-UHFFFAOYSA-N 312.373 3.408 10 10 DGCE C[C@H](NC(=O)N[C@@H](C)c1c(F)cncc1F)c1ccccc1O 868605474 DUEQUWQSGPLIDF-UWVGGRQHSA-N 321.327 3.187 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@H](C)c3ccns3)C2)cc1 926679412 DYKGPTOPASQCAB-CHWSQXEVSA-N 303.431 3.081 10 10 DGCE COc1cc(N[N])c(OC)cc1/N=N/c1ccc([N+](=O)[O-])cc1 1073271045 VZYLZQHFXDWPSA-ISLYRVAYSA-N 315.289 3.423 10 10 DGCE CO[C@]1(CN[C@H]2C[C@@H](C)c3c(C)ccc(O)c32)CCSC1 1350636500 PPBBRLGHFGBJLF-IGCXYCKISA-N 307.459 3.361 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)c1ccc2ccn(C)c2c1 1530833283 IAHYZPTYKSSUAM-UHFFFAOYSA-N 321.424 3.483 10 10 DGCE C/C(=C/C(=O)N(CC(F)F)c1ccc(F)cc1)c1cnccn1 1531489978 KUYXGNAJIIUNDU-FLIBITNWSA-N 321.302 3.317 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2cc(Cl)cc(C)c2N)c1 1584983946 VXNZJRDMXBRABB-UHFFFAOYSA-N 304.777 3.175 10 10 DGCE CC(C)CC[C@@H]1CCC[C@H]1NC(=O)Cc1ccc(O)c(O)c1 1611413262 VNHDMVPMDYVYII-LSDHHAIUSA-N 305.418 3.361 10 10 DGCE COc1ccc(N(C)CCN(C)CC2C[C@@H]3[C@@H](C2)C3(F)F)cc1 1619655969 CKNVPQCDUWBYTN-IAGOWNOFSA-N 324.415 3.355 10 10 DGCE CC(C)N(Cc1ccccc1F)C(=O)Cc1ccc(O)c(O)c1 1627058073 GFLYTVBCGMXRHM-UHFFFAOYSA-N 317.360 3.217 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N1CCCC[C@@H]1CC1CCC1 1646257423 GNQAZMCBLUTSBP-OAHLLOKOSA-N 303.402 3.212 10 10 DGCE COc1ccc(CN[C@H](C)CCNC(=O)[C@@H]2CC2(C)C)cc1C 1714466905 WJCTYPVFNMOLTP-ZBFHGGJFSA-N 318.461 3.034 10 10 DGCE O=C1CCCN1C(=O)CCn1c2c(c3ccccc31)CCCC2 1848811639 KPYJEPWFDYBEGL-UHFFFAOYSA-N 310.397 3.059 10 10 DGCE C[C@@H](N[C@H](CCO)COCc1ccccc1)c1ccccc1O 1902792030 FJQCUWPPCDWOSL-NVXWUHKLSA-N 315.413 3.011 10 10 DGCE CN(CC1CC1)c1ccc(C=CC(=O)O)c(Br)c1 1911968755 QWXSYOVQNKLAAO-UHFFFAOYSA-N 310.191 3.393 10 10 DGCE CC[C@]1(F)CCN(Cc2cc(Br)ccc2O)C1 1925580110 SSQLNFQDWSULMM-ZDUSSCGKSA-N 302.187 3.479 10 10 DGCE Cc1cccc([C@H](CCC(=O)O)NC(=O)OC(C)(C)C)c1O 1951648021 BMIPFESGPWWSOS-LBPRGKRZSA-N 309.362 3.131 10 10 DGCE CC(C)(C)OC(=O)N1CCC(=O)[C@H]1c1ccc(Cl)cc1O 1951866183 DODSRXFNQQQKHY-CYBMUJFWSA-N 311.765 3.297 10 10 DGCE CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1CNc1ccc(N)cc1 1959368252 ZIQXTEZKHBVDGJ-AWEZNQCLSA-N 305.422 3.326 10 10 DGCE Oc1cccc(Br)c1CN[C@@H]1CC[C@@H]2[C@@H]1C2(F)F 1966007370 DOXBWVJAGIEIHT-UISBYWKRSA-N 318.161 3.288 10 10 DGCE C[C@@H](O)CN(Cc1ccccc1)c1cc(Cl)c(CN)cc1F 1974800517 GMKLXYVEDWJOBX-GFCCVEGCSA-N 322.811 3.325 10 10 DGCE CN[C@@H]1CCc2cc(N(Cc3ccccc3)C[C@H](C)O)ccc21 1986605728 CPOLJBFUNCDJJE-MGPUTAFESA-N 310.441 3.281 10 10 DGCE Cc1ccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)c(O)c1 1994458569 VJHPOYZUDZNNMM-DZGCQCFKSA-N 320.433 3.188 10 10 DGCE Cc1ncc(NCc2ccc(O)cc2O)cc1Br 2031597174 PUNKYJLISFYSGU-UHFFFAOYSA-N 309.163 3.176 10 10 DGCE CN(C[C@@H]1CC[C@H]2C[C@H]21)c1ccc(CO)cc1Br 2040239055 FGQFOESCNWQNAG-RWMBFGLXSA-N 310.235 3.424 10 10 DGCE C[C@H]1CN(Cc2cc(Br)cc(F)c2O)CC1(F)F 2040588857 LNEPQKLJDTXZTK-ZETCQYMHSA-N 324.140 3.381 10 10 DGCE Cc1ccc(Cn2nc(CC(C)C)cc2CN(C)C)c(O)c1 2070177755 DOBRFYVRJDOIFQ-UHFFFAOYSA-N 301.434 3.206 10 10 DGCE CC[C@@H]1C[C@@H](N(C)c2cc(Cl)c(CN)cc2F)CCO1 2182949286 FYRINBDKGWMBJV-NWDGAFQWSA-N 300.805 3.332 10 10 DGCE Oc1cc(Cl)ccc1CNCc1cc(C(F)(F)F)on1 2192915418 AGUNKMHUBIKWPT-UHFFFAOYSA-N 306.671 3.342 10 10 DGCE CN(C)c1ccc(OCc2cccnc2Br)cc1 2221886654 XSOICBSRNOHCKC-UHFFFAOYSA-N 307.191 3.489 10 10 DGCE C[C@H](O)c1ccc(N(C)C2CSCCSC2)c(F)c1 2228721899 ZPOPEWVAZNWYET-JTQLQIEISA-N 301.452 3.164 10 10 DGCE N[C@H](c1ccccc1O)[C@H](O)c1ccc(C(F)(F)F)s1 2295020058 VRDDMTVRJPGXAH-VXGBXAGGSA-N 303.305 3.206 10 10 DGCE CN(Cc1ccccc1O)C(=O)C=CSCc1ccco1 2298099001 USTPCMNSCDHVBL-UHFFFAOYSA-N 303.383 3.391 10 10 DGCE O=C1Nc2ccc(F)cc2C1=Cc1nccn1CC(F)(F)F 2303184577 FWHCWDZWIVKRMS-UHFFFAOYSA-N 311.238 3.077 10 10 DGCE O=C1C(=Cc2ccccc2)SC(=S)N1Cc1ccncc1 2323759605 SDSQGVNATXGSFT-UHFFFAOYSA-N 312.419 3.483 10 10 DGCE CC1=NN(Cc2ccc(F)cc2)C(=O)C1=Cc1ccccc1O 2332140311 UUQNNLPLFIYSEP-UHFFFAOYSA-N 310.328 3.333 10 10 DGCE CN[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CC1(C)C 2336378627 RMZDZTSYBNTOMT-GFCCVEGCSA-N 303.233 3.129 10 10 DGCE C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)c1cccs1 31726515 WXFZWSLIAQHNQN-GFCCVEGCSA-N 303.431 3.375 10 10 DGCE CN(Cc1ccc(Cl)s1)C(=O)CCOc1ccc(N)cc1 40333896 NPIPSIGNSPKHBJ-UHFFFAOYSA-N 324.833 3.411 10 10 DGCE Cc1cc2c(=O)nc(SCc3ccc(N)cc3)[nH]c2s1 57837838 PBWLHWPTRLTDAT-UHFFFAOYSA-N 303.412 3.168 10 10 DGCE CCCCCOc1ccc(N2CC[C@H](CNCCOC)C2)cc1 76359881 VREZKJCYZYRGEU-QGZVFWFLSA-N 320.477 3.318 10 10 DGCE Nc1ccc(CCNC(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)cc1 152546921 NRTZOGYQIOJCTC-HOTGVXAUSA-N 316.351 3.009 10 10 DGCE Nc1ccc(CCNC(=O)c2ccc(-c3ccccc3)[nH]2)cc1 179043066 VTAGWVOPPXVVBK-UHFFFAOYSA-N 305.381 3.236 10 10 DGCE CC(C)OCCN1CCC(N[C@@H](C)c2ccc(F)cc2O)CC1 185637188 YEZXKAJXZDYCTQ-AWEZNQCLSA-N 324.440 3.071 10 10 DGCE COc1ccc(N(C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 220067319 VWJKFFLSBSXZOV-UHFFFAOYSA-N 317.301 3.148 10 10 DGCE CCCN(c1ccc(CN)cc1)[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 248991556 NNMWSABKNLREGW-KURKYZTESA-N 300.446 3.319 10 10 DGCE COc1ccc(CN[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)cc1C 381846252 YXRYYOGVQYTYME-ZIAGYGMSSA-N 322.449 3.395 10 10 DGCE COc1ccc(O)c(CNC(=O)c2cc(F)cc(Cl)c2)c1 757380722 ABWFCRMOAHMWFM-UHFFFAOYSA-N 309.724 3.123 10 10 DGCE Cc1ncsc1/C=C\C(=O)N1CCc2cc(F)c(F)cc21 776784565 PUFNYZAWUPDWJZ-IHWYPQMZSA-N 306.337 3.332 10 10 DGCE C[S@@](=O)c1ccc(CNCc2cccc(Cl)c2O)cc1 809793581 HIAPGQHWHMBUGO-HXUWFJFHSA-N 309.818 3.073 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)CCCc1ncc(C)o1 825678543 FIXFVJHKAVWJFD-UHFFFAOYSA-N 316.401 3.450 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)c1ccc2c(c1)CCCN2 829763859 BKFWGHMEXZUTAE-UHFFFAOYSA-N 323.440 3.349 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@H](CO)C2CCCCC2)cc1 835041362 BRDXRYUOOBGVJV-OVKVCFKUSA-N 302.462 3.297 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1CC(C(C)(C)C)C1 837519681 CQKHFHNKUFUFIS-XGNXJENSSA-N 305.418 3.217 10 10 DGCE CCN(C(=O)N[C@H](C)c1ccc(N(C)C)cc1)[C@H]1CCCOC1 845126034 UQGDRMZWYDTNTF-PBHICJAKSA-N 319.449 3.024 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)NCC1CCC(F)CC1 845281484 IKIHHSQVZMZVQZ-UHFFFAOYSA-N 314.788 3.373 10 10 DGCE COc1ccc(N(C[C@H](OC)[C@@H]2CCOC2)C(C)C)cc1F 851835667 DGEDLVHHFGOVGI-DYVFJYSZSA-N 311.397 3.101 10 10 DGCE COc1ccc(N2CC[C@@H](Nc3ccnc(C(C)C)n3)C2)cc1 853759079 ORFGDPFWJSQHNS-CQSZACIVSA-N 312.417 3.299 10 10 DGCE COc1cc(C)cc(CNCCOc2ccc(F)cc2F)c1O 894235416 BODZVMIVRYOBAZ-UHFFFAOYSA-N 323.339 3.156 10 10 DGCE Cc1ccsc1[C@H](CO)NCc1ccc2c(c1)CCCO2 921817214 JSPJQVNPVHWZKS-HNNXBMFYSA-N 303.427 3.205 10 10 DGCE CC[C@@H](NC[C@H]1CNCCC1(F)F)c1cc(Cl)ccc1O 925777875 RGYSPTAYRLMUKL-ZWNOBZJWSA-N 318.795 3.331 10 10 DGCE COc1cc2c(c(OC)c1)N(Cc1cc(C)nnc1C)CCC2 930721349 IACDUMOMKWPRDG-UHFFFAOYSA-N 313.401 3.063 10 10 DGCE CCC[C@H](C)C(=O)N[C@H](C)CNCc1ccc(OC)c(C)c1 1268638957 AVYODEHRALWTSF-DZGCQCFKSA-N 306.450 3.034 10 10 DGCE COCC(C)(C)CC(=O)N(C)Cc1ccc(N2CCCC2)cc1 1353912313 XEMDBHUENWJZQG-UHFFFAOYSA-N 318.461 3.308 10 10 DGCE Cc1nc(CNC(=O)c2cc3cc(O)c(O)cc3s2)cs1 1464295031 KEJQFKCMHKNCDO-UHFFFAOYSA-N 320.395 3.007 10 10 DGCE CC[C@H](C)CC(=O)N1CC[C@@H](NCc2ccc(OC)c(C)c2)C1 1479761667 SRLGKYGMTBQYIG-WMLDXEAASA-N 318.461 3.130 10 10 DGCE CCCC(=O)NC[C@H]1CC[C@@H](NCc2ccc(OC)c(C)c2)C1 1488893336 SFDGTZDOXRCTQQ-DLBZAZTESA-N 318.461 3.178 10 10 DGCE Cc1cncc(CCC(=O)Nc2c(Cl)ccc3nonc23)c1 1539054643 WVPPMTPOOMQVLX-UHFFFAOYSA-N 316.748 3.151 10 10 DGCE Cc1cc(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)on1 1544081462 WNDKHKDKJYXSPM-UHFFFAOYSA-N 309.369 3.321 10 10 DGCE Oc1cc(Cl)ccc1CNC[C@@H]1CC[C@@H](C(F)(F)F)O1 1561004718 TVGVLFHVZISORR-JQWIXIFHSA-N 309.715 3.245 10 10 DGCE CC(C)Nc1cccc(F)c1NC(=O)c1cccc(O)c1O 1570860901 DODKFEKBGODVBX-UHFFFAOYSA-N 304.321 3.310 10 10 DGCE CC[C@@H](C)[C@H](O)CNC(=O)c1ccc(-n2c(C)ccc2C)cc1 1629989653 CLEHKYDGJZENAF-FZKQIMNGSA-N 314.429 3.231 10 10 DGCE C/C(=C/c1ccccn1)C(=O)NCc1cc(Cl)ccc1O 1640924628 QADKPDIIULCZFZ-FLIBITNWSA-N 302.761 3.160 10 10 DGCE C[C@H](Oc1ccc(N)cc1)C(=O)NCc1ccccc1Cl 1860082597 OMDILFNELNMAMX-NSHDSACASA-N 304.777 3.006 10 10 DGCE COc1cc(/N=N/N(C)CCc2ccncc2)cc(OC)c1 1860487585 FGVGYRCLNXDKNU-VHEBQXMUSA-N 300.362 3.272 10 10 DGCE CO[C@]1(CNCc2cc(Cl)ccc2O)CCCSC1 1879921612 LCIOKMNMMMATQI-AWEZNQCLSA-N 301.839 3.047 10 10 DGCE CC[C@@](C)(O)CN(Cc1ccccc1)Cc1cc(N)ccc1O 1915164554 IUAYDVMJRUUGIN-LJQANCHMSA-N 314.429 3.138 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1C[C@@H](N[C@H]2CCc3cccc(O)c32)C1 1938291339 XNJQTOIATBWTGZ-MJBXVCDLSA-N 318.417 3.025 10 10 DGCE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1c1cc(N)ccc1O 1953053745 PWJXCRMCOWRMFV-NSHDSACASA-N 314.332 3.292 10 10 DGCE COc1ccc(Br)c(CNCC(C)(C)F)c1O 1964047081 ATLUXXFRIHZHHF-UHFFFAOYSA-N 306.175 3.001 10 10 DGCE CCc1cccc(CN[C@@H]2CC[C@@H]2NC(=O)OC(C)(C)C)c1O 1986708000 ZBPXQAXPONOEEM-CABCVRRESA-N 320.433 3.100 10 10 DGCE C[C@@H](O)c1ccc(N2CCC[C@@H]2CF)cc1Br 2004457073 YYQWBTGLFHKVOB-MWLCHTKSSA-N 302.187 3.441 10 10 DGCE C[C@H]1CN(c2cc(Br)c(CN)cc2F)CC1(F)F 2040578560 ZZDLUGGNNGLKCV-ZETCQYMHSA-N 323.156 3.138 10 10 DGCE CCOC1=NN(c2ccccc2)C(=O)C1=CNc1ccccc1 2040744293 AWDNOLDKRXEHND-UHFFFAOYSA-N 307.353 3.379 10 10 DGCE CC[C@@H](COC(F)F)NCc1ccc(Br)cc1O 2067259004 CZEDGMANPGBQCF-JTQLQIEISA-N 324.165 3.262 10 10 DGCE CNCc1cc(-c2ccccc2)nn1Cc1ccc(OC)cc1O 2070082762 RUWOXWSYFPFFBD-UHFFFAOYSA-N 323.396 3.032 10 10 DGCE CNCc1ccc(N(C)C[C@@H]2C[C@@H]2CF)cc1Br 2071378861 HRWHBHBVVRHVDY-NEPJUHHUSA-N 315.230 3.210 10 10 DGCE Cc1cccc(O)c1Cn1nc(C=O)c(Cl)c1C(F)(F)F 2079226638 RCRJRZZBNWMIAB-UHFFFAOYSA-N 318.682 3.430 10 10 DGCE CN(CCCn1cccc1)c1ccc(CO)c(Br)c1 2115200337 VRRRFGFVJOYBAN-UHFFFAOYSA-N 323.234 3.269 10 10 DGCE COc1ccc(O)c([C@@H](C)NCc2cnc(SC)s2)c1 2208482271 QCOWBLFBOPATOO-SECBINFHSA-N 310.444 3.430 10 10 DGCE Cc1sc(C(=O)N2CC(N=[N+]=[N-])C2)c(Br)c1C 2215964876 UNKYOTJBFSGQMT-UHFFFAOYSA-N 315.196 3.262 10 10 DGCE Cc1c(Br)nnc(OCCc2ccc(N)cc2)c1C 2226502754 ZMJAFCLRKSZPGM-UHFFFAOYSA-N 322.206 3.060 10 10 DGCE CCNCc1ccc(N2CC(SC(F)(F)F)C2)c(F)c1 2237490685 IVBXIIIYZMSSQW-UHFFFAOYSA-N 308.344 3.377 10 10 DGCE COc1ccc(Br)c(CNCC=C(F)F)c1O 2248631720 ULHNMVZUZJZFEW-UHFFFAOYSA-N 308.122 3.033 10 10 DGCE CSc1ncc(CNc2cccc(F)c2C(N)=S)s1 2269239159 APXVDDOGLRCZTB-UHFFFAOYSA-N 313.448 3.250 10 10 DGCE O=C1C(=Cc2ccccn2)SC(=S)N1Nc1ccccc1 2296052887 PBHMVPXKXHGWCJ-UHFFFAOYSA-N 313.407 3.310 10 10 DGCE CC[C@H](CNCc1ccc(C)c(Br)c1O)COC 2327612436 LYMHUNITOSEGMS-LLVKDONJSA-N 316.239 3.225 10 10 DGCE Oc1ccc(OC(F)(F)F)cc1CNCc1ccsn1 2361043334 IQVKBRRAYJIGPS-UHFFFAOYSA-N 304.293 3.037 10 10 DGCE CC1(C)OC(=O)C(=CNc2ccc(Cl)cc2Cl)C(=O)O1 10213325 QBTZKTOGBBLXMC-UHFFFAOYSA-N 316.140 3.125 10 10 DGCE COc1cc(CN2CCC[C@@H](C(F)(F)F)C2)c(O)cc1C 179433437 DAAXBQDTOMJCHV-GFCCVEGCSA-N 303.324 3.484 10 10 DGCE Cc1ccc(NC(=O)NC(=O)[C@@H](C)Sc2nccs2)cc1 52914626 GVBYBEPYRZUFOS-SNVBAGLBSA-N 321.427 3.280 10 10 DGCE COc1ccc(O)c(CNC(=O)N[C@@H](C)c2cccs2)c1 172065681 QEEOJOXUPCLADT-JTQLQIEISA-N 306.387 3.023 10 10 DGCE CC[C@@H](NC(=O)NCc1cc(OC)ccc1O)c1cccs1 114590549 DVOCHHGZIYTJEL-CYBMUJFWSA-N 320.414 3.413 10 10 DGCE COc1cc2c(O)csc2cc1I 307315862 ZMNOKGUAWGFXDL-UHFFFAOYSA-N 306.124 3.220 10 10 DGCE CC(=O)Nc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1 33292743 XJQYKMYXUPQIKC-LDADJPATSA-N 319.364 3.451 10 10 DGCE CCN(CCN=[N+]=[N-])C(=O)COc1ccc(F)cc1Cl 2362994774 YZCMVIFERWWZJM-UHFFFAOYSA-N 300.721 3.017 10 10 DGCE C[C@@H](c1ccccn1)N1CCN(c2ccc(CN(C)C)cc2)CC1 71702802 QAHFNEGNCSWJOZ-KRWDZBQOSA-N 324.472 3.026 10 10 DGCE CCN(CC)c1ccc([C@@H](N)CN)c(OCc2ccccc2)c1 44469039 INIFFMKZAQFGLN-SFHVURJKSA-N 313.445 3.070 10 10 DGCE CCO[C@H]1CCCN(c2ccc(CN)c(C(F)(F)F)c2)C1 42408128 DLFNBYLQARGGAS-ZDUSSCGKSA-N 302.340 3.169 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H](NCc2cccc(F)c2O)C1 226609558 GBCPVIZTECPUEJ-CYBMUJFWSA-N 324.396 3.020 10 10 DGCE COCCN(c1ccc([C@H](C)N)c(Br)c1)C(C)C 234706616 YKLRQGPNQRCEQU-NSHDSACASA-N 315.255 3.330 10 10 DGCE Cc1csc([C@H]2CN(Cc3cc(Cl)ccc3O)CCO2)n1 92789995 XPKVLRRCXFJXQJ-CQSZACIVSA-N 324.833 3.384 10 10 DGCE CO[C@@H]1CN(Cc2cccc(Br)c2O)CC[C@H]1C 249222235 UMWGNGTUAXSBMV-ZWNOBZJWSA-N 314.223 3.012 10 10 DGCE CN(C)c1ccc(/C=C2/N=C(Cc3ccc(F)cc3)OC2=O)cc1 253448123 YTAVBRDMSXQYSC-GZTJUZNOSA-N 324.355 3.431 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCCC2(CC2)C1 611648746 FRTAXQPYYIKMGG-CQSZACIVSA-N 314.429 3.448 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCC[C@H]1OC 815131835 NJLRHVVXPJPGON-ZWKOTPCHSA-N 318.461 3.306 10 10 DGCE Oc1cc(F)c(Cl)cc1CN[C@H]1C[C@H](O)c2ccccc21 827172347 RIAMONHTGZNRPA-HOCLYGCPSA-N 307.752 3.453 10 10 DGCE CCOc1ccc(O)c(CN2C[C@H](C)O[C@@](C)(C(F)F)C2)c1 827962815 UECNFNVPISEDAO-MEDUHNTESA-N 315.360 3.035 10 10 DGCE Oc1cc(F)c(Cl)cc1CN1CCc2nc[nH]c2C12CCC2 828907758 YDXCFUBWWRFKGY-UHFFFAOYSA-N 321.783 3.345 10 10 DGCE CC(C)Oc1ccc(N(C)Cc2cn(C3CCC3)nn2)cc1 825697819 KGJIKVGHJWOIDL-UHFFFAOYSA-N 300.406 3.427 10 10 DGCE CC(C)(NC(=O)c1cc2cc(O)c(O)cc2s1)C(F)F 907876938 KYDIUHLDDWKXFR-UHFFFAOYSA-N 301.314 3.086 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@@H](CO)c2ccc(F)cc2)cc1 835040911 VYXJHSXHJURGKF-RTLBZRNLSA-N 314.404 3.228 10 10 DGCE O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1C[C@H]2CC[C@H]1C2 738458754 GZZFWSJGOHZINP-XYJFISCASA-N 313.445 3.275 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)CC(F)(F)C(F)F 900399722 HXBACDYBLGWPLN-UHFFFAOYSA-N 320.330 3.392 10 10 DGCE CN(C)c1ccc(/C=C/CNCc2cccnc2N(C)C)cc1 835035143 HMCUKKQADYVLEJ-FNORWQNLSA-N 310.445 3.017 10 10 DGCE CC(=O)C(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)OC(C)(C)C 1951478605 VDNFXXMTQZHHDL-CABCVRRESA-N 323.433 3.350 10 10 DGCE Cc1cccc(C[C@H](CO)NC/C=C/c2ccc(N(C)C)cc2)c1 835049378 DIZPTYWAVZOOHS-MUPIXQSSSA-N 324.468 3.267 10 10 DGCE NCCc1ccccc1C(=O)Nc1cccc(N2CCCCC2)c1 846671970 BPXPPNLFWFGNLZ-UHFFFAOYSA-N 323.440 3.430 10 10 DGCE C[C@@H](NCCOC1CCOCC1)c1cc2c(cc1O)CCCC2 927080509 TWIWFYYMLLYVQY-CQSZACIVSA-N 319.445 3.117 10 10 DGCE COc1ncncc1CNCc1cc(C)n(-c2ccccc2)c1C 858294366 GRSFPUMLWDWJAT-UHFFFAOYSA-N 322.412 3.183 10 10 DGCE C[C@@H](O)[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccccc1 850419491 FTIIERRDEIXJNE-FZKQIMNGSA-N 302.393 3.103 10 10 DGCE Cc1ccc(O)c([C@@H]2C[C@H](N)CCN2C(=O)OC(C)(C)C)c1 1952150512 ZDZKWPWXQRGYSM-OCCSQVGLSA-N 306.406 3.100 10 10 DGCE Cc1cc(Br)c(O)c(CN[C@@H]2C[C@@H](C)O[C@@H]2C)c1 865690136 WERYCQCSIZZWTI-GIPNMCIBSA-N 314.223 3.119 10 10 DGCE CC(C)(C)OC(=O)c1ccc(N2Cc3cccc(O)c3C2)nc1 866117244 JARZPDYKFUAWDS-UHFFFAOYSA-N 312.369 3.263 10 10 DGCE O=C(NCCCSc1nccs1)C1(C(F)F)CCC1 865784493 ZELMBVKQEZQSBF-UHFFFAOYSA-N 306.403 3.177 10 10 DGCE CCOC(=O)CCN(Cc1cc(Cl)cc(C)c1O)C1CC1 775665018 WQIVSJQTNNQVOQ-UHFFFAOYSA-N 311.809 3.272 10 10 DGCE CC[C@@H](NCCC[C@@H]1CCOC1=O)c1ccc(N(C)C)cc1 872115552 IFLDHWGUXKLVCV-NVXWUHKLSA-N 304.434 3.137 10 10 DGCE Cc1ccccc1C1=CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 779687019 ZLXKJEZKSWPPIA-CLFYSBASSA-N 321.376 3.345 10 10 DGCE CC(C)[C@@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H](C)C[C@@H](C)C1 62461025 APQRTJKGUNXZCV-VBQJREDUSA-N 303.450 3.210 10 10 DGCE COc1c([N+](=O)[O-])ccc(CNCC(C)(C)CC(F)F)c1O 895535818 ZFIPGCNYJQRSLU-UHFFFAOYSA-N 318.320 3.080 10 10 DGCE COc1cc(CN2CC[C@@H](Cc3ccncc3)C2)c(O)cc1C 782292126 VTRPCUTUCHOINM-INIZCTEOSA-N 312.413 3.169 10 10 DGCE Oc1ccc(Cl)c(F)c1CNCCc1cnc(C2CC2)nc1 790983182 OCHUUYBXAPISKT-UHFFFAOYSA-N 321.783 3.184 10 10 DGCE CC[C@@H](NCc1cn(C)nc1Br)c1ccccc1O 720682580 ZSHKEPFDSALQKX-GFCCVEGCSA-N 324.222 3.129 10 10 DGCE C[C@@H](CCc1ccccc1F)C(=O)NCc1cc(O)ccc1O 1153884394 DHNGEFSDWGIUEQ-LBPRGKRZSA-N 317.360 3.122 10 10 DGCE C[C@@H](c1cc(Cl)ccc1O)N1CCO[C@@H](C(F)(F)F)C1 698967218 FEXGNBPTSQQGGE-QPUJVOFHSA-N 309.715 3.370 10 10 DGCE CC(C)[C@@H](NC(=O)c1cccc(O)c1O)c1ccccc1F 1300454918 DSBHJBQFWFFDNL-OAHLLOKOSA-N 303.333 3.364 10 10 DGCE NCC1CC2(CCN2Cc2cc(Cl)cc(Cl)c2O)C1 2125787737 TWTBVOHPQFDGTH-UHFFFAOYSA-N 301.217 3.012 10 10 DGCE Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCCC[C@@H]1CCOC1=O 1332276936 LAFBRSBDCOSMFN-MGPQQGTHSA-N 303.402 3.182 10 10 DGCE C[C@H](OCc1ccccc1)C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1 1912204213 VMFYFIVLEISYBJ-ZFWWWQNUSA-N 302.378 3.141 10 10 DGCE CC[C@H](c1cc(Br)ccc1O)N(CCN)C(C)C 1913097700 HUQRYYZKKHIWAH-CYBMUJFWSA-N 315.255 3.275 10 10 DGCE O=C(NCC(C1CC1)C1CC1)c1cc2cc(O)c(O)cc2s1 1294174887 PLXNHSNVSHMXSS-UHFFFAOYSA-N 317.410 3.479 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N2CCc3c(F)cccc32)cc1 1466719667 HNXCWEDNNQCJJV-UHFFFAOYSA-N 312.304 3.191 10 10 DGCE CN[C@H](C)c1ccc(N(CCCO)Cc2ccccc2)c(F)c1 1914614346 ODEPVQCLFVGJJN-OAHLLOKOSA-N 316.420 3.495 10 10 DGCE Cc1cc(CC(=O)Nc2ccnnc2)c(C)n1-c1ccccc1 1535451373 KMORDRXATKOLCX-UHFFFAOYSA-N 306.369 3.065 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)NCc1ccc2ccccc2c1 1620769056 ICMNQOJHYSKZMQ-UHFFFAOYSA-N 307.349 3.110 10 10 DGCE CCc1c[nH]c2ncnc(N(C)Cc3ccc(N(C)C)cc3)c12 1639188606 HCXAJJNVDYNCAF-UHFFFAOYSA-N 309.417 3.223 10 10 DGCE Cc1ccc(F)c(CC(=O)NCc2ccc3cccnc3c2O)c1 1570533936 XJZLKDBGLJXBJT-UHFFFAOYSA-N 324.355 3.247 10 10 DGCE c1cc(CNCCCSc2nccs2)c2[nH]ncc2c1 1650257426 YPCGCESDFHUPKQ-UHFFFAOYSA-N 304.444 3.291 10 10 DGCE O=[N+]([O-])c1cc2ccccc2nc1NCc1c(O)cccc1O 1652267319 NRIIRCKXXZLLQI-UHFFFAOYSA-N 311.297 3.166 10 10 DGCE CC(C)[C@@H](CNC(=O)OC(C)(C)C)[C@H](N)c1ccccc1O 1928472847 UZKXQEJANRLPNS-UKRRQHHQSA-N 308.422 3.189 10 10 DGCE CCC[C@@H](NCc1cc(OC)ccc1O)C(=O)OC(C)(C)C 154862622 BXPJVQCWUWBYLD-CQSZACIVSA-N 309.406 3.001 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H]2[C@H]1[C@H]2[C@H](N)c1ccccc1O 1938162478 SNFXAJWKURJSOD-MIGQKNRLSA-N 318.417 3.038 10 10 DGCE CC[C@H]1C[C@H](NCc2c(O)cccc2Br)CCO1 858180045 KALYPOLLOCFXIZ-MNOVXSKESA-N 314.223 3.202 10 10 DGCE Cn1cc(CNCc2cccc(Cl)c2O)c(C(F)F)n1 898218746 OCLMNAUUTKAQQX-UHFFFAOYSA-N 301.724 3.007 10 10 DGCE C[C@H]1CN(CCCCN=[N+]=[N-])CC[C@@H]1NC(=O)OC(C)(C)C 1962302173 YGQLBOGPMOEKCG-STQMWFEESA-N 311.430 3.312 10 10 DGCE C[C@@]1(CNCc2c(O)cccc2Br)CCCOC1 1962989344 UODHNPDJFPPKFA-AWEZNQCLSA-N 314.223 3.061 10 10 DGCE CC1(C)[C@H](NCc2cccc(Br)c2O)C1(F)F 1948214743 WVOIQEMMBRYUPW-JTQLQIEISA-N 306.150 3.288 10 10 DGCE CC(C)NCc1cc(F)c(N2CCS[C@@H](C)C2)c(F)c1 137244015 WJPNPAYVPZFWFV-NSHDSACASA-N 300.418 3.405 10 10 DGCE CC[C@@](CCCSc1nccs1)(NC(C)C)C(=O)OC 2144123330 ZVUVAAVANBNUHZ-AWEZNQCLSA-N 316.492 3.335 10 10 DGCE CC(C)c1cc(CNCc2cc(Br)ccc2O)[nH]n1 1971348256 GZQHYFPIMZYNSF-UHFFFAOYSA-N 324.222 3.291 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2CCC[C@]2(Nc2ccc(N)cc2)C1 1977685832 WFNAOBLNUSGCCA-ACJLOTCBSA-N 317.433 3.470 10 10 DGCE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N(c2ccc(N)cc2)C1 1977954196 YZEQJMKSULTVNV-UONOGXRCSA-N 319.449 3.351 10 10 DGCE CCC[C@@](N)(CNC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1977944217 CBMVNSLRWNXNJX-GOSISDBHSA-N 321.465 3.231 10 10 DGCE CC[C@@H]1CN(c2ccc(CN)c(C(F)(F)F)c2)CCS1 157294991 JXUVBWUEEPMHBT-GFCCVEGCSA-N 304.381 3.496 10 10 DGCE CCCNCc1cnc(SCC2(CC(=O)OC)CC2)s1 2155331600 AHAFMFUGAMOXCW-UHFFFAOYSA-N 314.476 3.078 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@H]3C[C@H]2[C@H]2C[C@@H]32)c(Br)c1 2041511240 QBRVUQDYADKYDW-SCGWIAOYSA-N 308.219 3.347 10 10 DGCE CN(C)C[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2O)C1 405196860 ORAYHNBZIALYNG-LLVKDONJSA-N 317.260 3.473 10 10 DGCE C[C@H](N)c1ccc(N(CCO)Cc2ccsc2)cc1Cl 2171095930 UIEWTSKRMGWXFO-NSHDSACASA-N 310.850 3.420 10 10 DGCE NCc1ccc(N2CCC[C@@H](CF)C2)c(F)c1Br 711482687 RRKQWVURYMGRKH-VIFPVBQESA-N 319.193 3.233 10 10 DGCE CC(C)NCc1ccc(N2C[C@H]3C[C@@H]3C2)cc1Br 379551677 QXCLFFYFKGBZDT-CHWSQXEVSA-N 309.251 3.403 10 10 DGCE CC[C@H](C)N(Cc1ccccc1)c1ccc2c(c1)N(C)C(=O)[C@@H]2N 387265747 SBGAFPAGSZVVLI-IFXJQAMLSA-N 323.440 3.468 10 10 DGCE Cc1cccc(O)c1CNC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 877315084 ZEJWRBBZZNHCTI-AWEZNQCLSA-N 320.433 3.047 10 10 DGCE COC(=O)c1cc(CC(C)C)nn1[C@@H](C)c1c(O)cccc1F 2070005071 JQAISPQFNIKGLF-NSHDSACASA-N 320.364 3.322 10 10 DGCE CNCc1cc(-c2ccccc2)nn1Cc1c(O)cccc1F 2070076129 KATDGNKOBVLFIA-UHFFFAOYSA-N 311.360 3.163 10 10 DGCE Cc1cc(O)c([C@H](C)n2nc(C)c(C(=O)O)c2Cl)cc1C 2079935207 GWWYQTUBWUDANG-JTQLQIEISA-N 308.765 3.475 10 10 DGCE CCc1nn([C@@H](CC)c2cc(C)c(C)cc2O)c(N)c1C=O 2079953123 SEOVZSJOFUZRSS-HNNXBMFYSA-N 301.390 3.162 10 10 DGCE C[C@H](CCN(C)C(=O)OC(C)(C)C)NCc1ccccc1O 1172944348 SDGTUWDIXAABCO-CYBMUJFWSA-N 308.422 3.127 10 10 DGCE C[C@H](O)c1ccc(N(C)[C@]2(C)CCOC2)cc1Br 2055448342 LMSRGWAHZKVXSH-IINYFYTJSA-N 314.223 3.118 10 10 DGCE CO[C@@H]1CC[C@@H]1CCNCc1cc(Br)ccc1O 2066823239 AKKLLPIBQXMUKT-QMTHXVAHSA-N 314.223 3.059 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@](N)(c2ccccc2O)C1 2211281014 QKLNFRVXLDVTIY-JCGVRSQUSA-N 320.433 3.212 10 10 DGCE Cc1ncc(NC(=O)Nc2ccc(N)cc2)cc1Br 2092461450 UHKDYNDNIPDXNM-UHFFFAOYSA-N 321.178 3.379 10 10 DGCE CN(Cc1cc(Cl)cc(Cl)c1O)[C@H]1CCCCNC1 2112840663 LIGWEXMSXFROCC-LBPRGKRZSA-N 303.233 3.273 10 10 DGCE [N-]=[N+]=NCC1CCN(Cc2nscc2Br)CC1 2214607772 PEVYEIKVEYQHNR-UHFFFAOYSA-N 316.228 3.428 10 10 DGCE Oc1ccc(CNCc2cc3sccc3s2)c(O)c1O 2205537464 KJCSOWBZVUFNFD-UHFFFAOYSA-N 307.396 3.369 10 10 DGCE C[C@@H](NCc1ccc(N)cc1)[C@H]1CCCN1C(=O)OC(C)(C)C 2244481465 HRHRPRUVNPWWCL-CZUORRHYSA-N 319.449 3.146 10 10 DGCE Cc1cccc(C2=NC(=Cc3ccc(N(C)C)cc3)C(=O)O2)c1 2297174978 LOFXKKHDHNZXJF-UHFFFAOYSA-N 306.365 3.406 10 10 DGCE CCNCc1ccc(N(CCF)CCF)cc1Br 2317584552 SCSRHQLZBPHXSS-UHFFFAOYSA-N 321.209 3.304 10 10 DGCE CCOC1CC(NCc2ccc(C)c(Br)c2O)C1 2327621893 RUIFFRSQGOZKNY-UHFFFAOYSA-N 314.223 3.120 10 10 DGCE Cc1nc(C2(NCc3c(O)ccc4ccccc34)CCC2)no1 171129343 MRXROSUWXJFTKT-UHFFFAOYSA-N 309.369 3.406 10 10 DGCE O=C(/C=C/c1cnccn1)N1CCCc2c(Cl)ccc(F)c21 67171753 NKZATOYXLAFVFS-ZZXKWVIFSA-N 317.751 3.262 10 10 DGCE CCc1onc(C)c1C(=O)NCc1c(O)ccc2c1CCCC2 184991781 PHMZBCWSOIHIGC-UHFFFAOYSA-N 314.385 3.060 10 10 DGCE CC[C@H](C)N(CC(=O)OC(C)(C)C)Cc1cccc(OC)c1O 180937411 CDDUCPLALRPDKZ-ZDUSSCGKSA-N 323.433 3.343 10 10 DGCE Oc1cccc(CNCc2ccc(Br)s2)c1O 41117864 FWZHTZVWEFFJLB-UHFFFAOYSA-N 314.204 3.212 10 10 DGCE COc1ccc(O)c(CN[C@@H](C)c2nc(C3CCCC3)no2)c1 191589286 NCHXFWSVQHOBOG-NSHDSACASA-N 317.389 3.292 10 10 DGCE COc1ccc(CN[C@H](C)c2nnc3n2CCCCC3)cc1C 320065954 RPMZLORGNKATHK-CQSZACIVSA-N 314.433 3.172 10 10 DGCE CC(C)N(Cc1ccccc1)S(=O)(=O)Cc1ccc(N)cc1 381795941 BRPPYDRVAPYTAK-UHFFFAOYSA-N 318.442 3.009 10 10 DGCE CC[C@H]1OCC[C@H]1CNCc1cccc(Br)c1O 234240472 ROMZVYUEMZEFAN-GXFFZTMASA-N 314.223 3.059 10 10 DGCE Cc1ccc([C@H](C)N[C@H]2COc3ccc(F)cc3C2)c(O)c1 808729425 JOCFFKFSUHESMU-SWLSCSKDSA-N 301.361 3.494 10 10 DGCE Oc1ccccc1CNc1cncc(NCc2ccccc2O)n1 804398881 VNWAIOGKVDLYLN-UHFFFAOYSA-N 322.368 3.112 10 10 DGCE C[C@H](NC(=O)[C@H]1CCC1(C)C)c1ccc(N2CCOCC2)cc1 823835345 XRYVEXDHYIICTC-WMLDXEAASA-N 316.445 3.137 10 10 DGCE C[C@@H](NC[C@]1(c2ccccc2)C[C@H](O)C1)c1c(O)cccc1F 903272638 WHQNGZHHURFBTB-ZXYWRSMDSA-N 315.388 3.275 10 10 DGCE CCOc1ccc(CN2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c(O)c1 824695986 GAICKJIQYSVATA-KZNAEPCWSA-N 319.445 3.306 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCc3ccccc3[C@@H]2CO)cc1 835029828 SXJHTZKMTOTFSC-LYSGITKLSA-N 322.452 3.358 10 10 DGCE CC(C)N(Cc1c(O)ccc2ccccc12)C[C@H]1CCC(=O)N1 840187706 WNMTYXCTONPHDF-OAHLLOKOSA-N 312.413 3.034 10 10 DGCE Cc1cc(Cl)cc(CN2CCC[C@H]([C@H]3CCNC3)C2)c1O 843125242 OXOOBJMCVOLCEY-KBPBESRZSA-N 308.853 3.176 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)/C(C)=C\C(C)(C)C)C2)cc1 855224998 HGXISPZKKFMCBE-ZSMUJPCHSA-N 316.445 3.383 10 10 DGCE C[C@H]1CC[C@@H](NCc2ccc(N3CCC(O)CC3)cc2)CS1 850406847 WMBRMEYVPDACPB-GOEBONIOSA-N 320.502 3.021 10 10 DGCE C[C@@H](NCc1ccc(N2CCOCC2)cc1)[C@@H]1C[C@H]1C1CC1 858105976 PDJPMKQQSHGQAH-CCKFTAQKSA-N 300.446 3.047 10 10 DGCE CCN(CC)c1ccc(CNCc2cn(C)nc2Cl)cc1 856765727 LJJVLUKGQMOWFW-UHFFFAOYSA-N 306.841 3.210 10 10 DGCE CCCC[C@](C)(F)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855226888 VGFFYITWQZKOCE-KSSFIOAISA-N 322.424 3.309 10 10 DGCE CC(C)Cn1ccnc1CNCc1cc(F)c(N(C)C)cc1F 858145609 ZGHIFRDYAYZIIW-UHFFFAOYSA-N 322.403 3.173 10 10 DGCE C[C@H](NCc1ccc(CO)c(F)c1)c1cc(F)cc(F)c1O 756458339 LQRDTCYTZVDWBY-VIFPVBQESA-N 311.303 3.153 10 10 DGCE CC(C)(C)OC(=O)Nc1ccc([C@@H](CO)N=[N+]=[N-])cc1[N+](=O)[O-] 1951354335 IRYTYDFAKKJOIU-SNVBAGLBSA-N 323.309 3.286 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CCOC[C@@H]1C 762707593 TXDKRCVFGHRAQF-FZMZJTMJSA-N 318.442 3.310 10 10 DGCE C[C@H](NC1([C@H]2CCCCO2)CCC1)c1cc([N+](=O)[O-])ccc1O 866622590 HKNAVWNSQNHZHL-BLLLJJGKSA-N 320.389 3.443 10 10 DGCE Oc1c(Br)cccc1CNc1cc2c(nn1)CCC2 762658157 NTYFLIGFGSGZHG-UHFFFAOYSA-N 320.190 3.046 10 10 DGCE CC(C)(C)OC(=O)Nc1cccc([C@@H]2NCCC2(F)F)c1O 1952985978 QVSLQFYLQBTTDA-LBPRGKRZSA-N 314.332 3.409 10 10 DGCE COc1ccccc1C/C(C)=C/C(=O)N1Cc2cccc(O)c2C1 871202694 LIRZHTBCLBYOMR-SDNWHVSQSA-N 323.392 3.432 10 10 DGCE Oc1c(F)cc(F)cc1CN1C[C@]23CCCC[C@@]2(COC3)C1 895350746 GYUIKRNBEABBMZ-IRXDYDNUSA-N 309.356 3.063 10 10 DGCE CCOC1CC2(CCN(Cc3cc4c(cc3O)CCC4)C2)C1 795725823 MRFAKUSUVRCBSM-UHFFFAOYSA-N 301.430 3.272 10 10 DGCE COc1ccc2c(c1)NC1(CCC(C)CC1)CN2[C@@H](C)CN 76931197 JBCXHIPJKWTHLR-FVRSWCFKSA-N 303.450 3.223 10 10 DGCE CCOc1ccc(O)c(CNc2ccc(N3CCC3=O)cc2)c1 798502601 SETXYGWNGIVUDC-UHFFFAOYSA-N 312.369 3.140 10 10 DGCE [N-]=[N+]=NCCCNC(=O)c1ncc(Cl)c(Cl)c1Cl 706101237 IDLSKUFPPWWFOR-UHFFFAOYSA-N 308.556 3.472 10 10 DGCE CC(=O)c1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1C 1141718785 KEFRBOGCIYNJOK-YWEYNIOJSA-N 311.337 3.261 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)c1cccc2nc[nH]c12 1150377489 IZVHHHJEPWBZDW-UHFFFAOYSA-N 321.380 3.077 10 10 DGCE O=C(/C=C\c1cccnc1)NCc1c(O)ccc2ccccc12 1179029884 UYCUGVKDGCRPCE-YFHOEESVSA-N 304.349 3.270 10 10 DGCE CP(C)(=O)[C@H]1CCN(c2cc(Cl)c(CN)cc2F)C1 2125217416 RCVGCSQVNMUAIM-JTQLQIEISA-N 304.733 3.139 10 10 DGCE CC1(C)O[C@H]2C[C@H](NCc3ccc(N4CCCC4)cc3)C[C@H]2O1 1339895291 JITNWARWWSZYHG-XGWQRUHWSA-N 316.445 3.059 10 10 DGCE C[C@@H](NC(=O)c1cccc(Br)n1)c1ccccc1O 1648889971 UZRQUPNJHOVUQZ-SECBINFHSA-N 321.174 3.041 10 10 DGCE C[C@@H](C(=O)O)N(Cc1ccccc1)[C@H](C)c1ccc(O)cc1O 1902365975 MKECIDYUMVXMGR-OLZOCXBDSA-N 315.369 3.134 10 10 DGCE CC[C@H](CNC(=O)C(C)(C)CC)NCc1ccc(OC)c(C)c1 1267815858 AHBRIZGWMAQBEN-MRXNPFEDSA-N 320.477 3.424 10 10 DGCE CN(CC(F)F)c1ccc(C=CC(=O)O)cc1Br 1911838289 HPTVXECJTNUZOL-UHFFFAOYSA-N 320.133 3.248 10 10 DGCE CC(F)(F)c1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 1296515996 SBIMFZKADQCCFJ-UHFFFAOYSA-N 307.296 3.391 10 10 DGCE CN(C[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32)c1ccc(CN)cc1Br 2134481663 JVRGEOSTQCFHJF-FSPSUXSGSA-N 321.262 3.246 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2c(C)c(O)nc3ccccc23)c1 1453664374 ZQEAJLHMPSNHRF-UHFFFAOYSA-N 322.364 3.193 10 10 DGCE C[C@H](OCc1ccccc1)C(=O)NCc1cc(Cl)ccc1O 1452948663 YONXFRNKZNSOFC-LBPRGKRZSA-N 319.788 3.267 10 10 DGCE O=C(NCc1cccc(Cl)c1O)c1ccc(C(F)F)nc1 1457038687 ZAPMUZGOYGJZPV-UHFFFAOYSA-N 312.703 3.308 10 10 DGCE Nc1ccc(CCC(=O)N(Cc2ccccc2)[C@H]2CCOC2)cc1 1915429960 ACTYRESGKPKEPP-IBGZPJMESA-N 324.424 3.019 10 10 DGCE COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H]2C=CCC2)CCCC1 1527939920 JFIUKIBUFXENKT-CQSZACIVSA-N 324.424 3.364 10 10 DGCE COc1ccc(N(C)C(=O)/C=C(/C)c2cnccn2)cc1Cl 1534783010 VIIYJYFFMYVMTF-FLIBITNWSA-N 317.776 3.205 10 10 DGCE CCN(Cc1ccc(Cl)cc1)C(=O)c1cccc(O)c1O 1540718258 MVWGFKNXMHGKDK-UHFFFAOYSA-N 305.761 3.414 10 10 DGCE C[C@H](c1ccccn1)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 1544557760 MUCGPDOGAFKZNU-LLVKDONJSA-N 311.345 3.077 10 10 DGCE CNc1ccc(C(=O)NCc2ccc(N(C)C)cc2)c(Cl)c1 1540417656 WOZAJOQMVCNJCQ-UHFFFAOYSA-N 317.820 3.378 10 10 DGCE C[C@H]1CCC[C@H](C)N1NC(=O)c1cc2cc(O)c(O)cc2s1 1623801187 TWSIMXUMFCZCAM-UWVGGRQHSA-N 320.414 3.220 10 10 DGCE O=C(CCCc1c(F)cccc1F)NCc1cccc(O)c1O 1637045607 IHLYEWANENSWAO-UHFFFAOYSA-N 321.323 3.015 10 10 DGCE COc1cccc(CNC(=O)Cc2ccc(C)c(Cl)c2)c1O 1636061640 UODAVSJADTVXLO-UHFFFAOYSA-N 319.788 3.222 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)Nc1cc(-c2ccccc2)[nH]n1 1639293786 HKUDHAKKBUMUTC-VQHVLOKHSA-N 321.336 3.140 10 10 DGCE O=C(NCc1c(O)cccc1O)c1ccccc1-c1ccncc1 1639295643 AZFBEYRKYHBIOU-UHFFFAOYSA-N 320.348 3.090 10 10 DGCE C/C(=C\C(=O)NCc1cccc(O)c1O)c1cccc(Cl)c1 1643812832 QZBNEWOYRXOHCO-DHZHZOJOSA-N 317.772 3.471 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H]1C[C@@H](N)c1ccccc1O 1928469217 FXJLQJTYEVIDNU-GXTWGEPZSA-N 306.406 3.182 10 10 DGCE Cc1ccc(O)c(CNCc2ncccc2Br)c1 1927136754 SKSPSXHSEWQZFE-UHFFFAOYSA-N 307.191 3.148 10 10 DGCE C[C@H](NCc1ncccc1Br)c1cc(O)ccc1O 1927118273 ULLAMWNTQNZNDZ-VIFPVBQESA-N 323.190 3.106 10 10 DGCE O=C(c1c(F)ccc(O)c1O)N1CC[C@H](c2cccc(F)c2)C1 1650978460 COOXBYKPGNKAPQ-NSHDSACASA-N 319.307 3.006 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(N)cccc2F)C1 1959350395 BFQVVKCIGYDYEQ-LLVKDONJSA-N 309.385 3.219 10 10 DGCE Cc1cc(OCc2ccc(N)cc2)cc(=O)n1CCC(C)C 1857922858 CGGCPYUPJWUVSY-UHFFFAOYSA-N 300.402 3.364 10 10 DGCE CN(CCCN=[N+]=[N-])[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 1962306023 WWKHSKKIRSBHRH-CYBMUJFWSA-N 311.430 3.408 10 10 DGCE CP(C)(=O)CCCNCc1cc(Br)ccc1O 1969962778 CENFKBHNUHQYRJ-UHFFFAOYSA-N 320.167 3.257 10 10 DGCE [N-]=[N+]=NC1CCN(C(=O)C2CC(OCc3ccccc3)C2)CC1 1976705420 ZCLVVJFFERXTIV-UHFFFAOYSA-N 314.389 3.283 10 10 DGCE OCc1ccc(N2CC([C@@H]3CC3(F)F)C2)c(Br)c1 2036010099 KZNSNXGEASIREK-JTQLQIEISA-N 318.161 3.033 10 10 DGCE CSC1CC(N(C)c2ccc(CO)c(Br)c2)C1 707103025 WBQCTTONPOLKHU-UHFFFAOYSA-N 316.264 3.272 10 10 DGCE CNCc1cc(F)c(N(C)[C@@H]2CCC[C@@H]2SC)c(F)c1 707685856 PQCDWNIANZOBDM-KGLIPLIRSA-N 300.418 3.405 10 10 DGCE Cc1ccc(O)c(CNC2[C@H]3C[C@H]2CN(Cc2ccccc2)C3)c1 399648333 HEHOQDZATCWEOB-OALUTQOASA-N 322.452 3.311 10 10 DGCE CCOC(=O)c1cnn([C@@H](C)c2c(O)cccc2F)c1Cl 2070385689 NISTXCMLPKEABK-QMMMGPOBSA-N 312.728 3.167 10 10 DGCE O=Cc1cc(C2CC2)nn1Cc1cc(Br)ccc1O 2069985272 FTHLKBNHQDXJDK-UHFFFAOYSA-N 321.174 3.089 10 10 DGCE CN(Cc1csc(C(F)F)n1)c1ccc(CN)cc1F 2188710827 MVQBRMYJKHDKBE-UHFFFAOYSA-N 301.337 3.315 10 10 DGCE CC[C@@H](COC)N(C)c1ccc([C@H](C)N)c(Br)c1 2047308850 OEBBSMVQVALNOE-QWRGUYRKSA-N 315.255 3.330 10 10 DGCE COCCNCc1ccc(N(C)CC2(Cl)CC2)cc1Cl 2237980674 BWMJRNIJCBGXIF-UHFFFAOYSA-N 317.260 3.284 10 10 DGCE CSc1ncc(CNc2nc(C)cc(C)c2C(N)=S)s1 2284652715 QINZJKKFMVLZJX-UHFFFAOYSA-N 324.500 3.123 10 10 DGCE CCN1Cc2cccc(NC(=O)C=Cc3ccc(O)c(O)c3)c2C1 2308009218 FSSVYNBJWXDGKZ-UHFFFAOYSA-N 324.380 3.085 10 10 DGCE C=COCCCNCc1ccc(C)c(Br)c1O 2307476022 WTFGJLGBGIFGNR-UHFFFAOYSA-N 300.196 3.103 10 10 DGCE CCCC1=NN(C)C(=O)C1=Cc1cccc(OC)c1OCC 2332117440 HAEITGWRIZCKPH-UHFFFAOYSA-N 302.374 3.105 10 10 DGCE NC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(O)cc1)N2 13636717 BREQWFTZQOFGJT-DAYGRLMNSA-N 306.365 3.318 10 10 DGCE COC(=O)Cc1nc2ccccn2c1/N=N\c1cccc(OC)c1 71580867 RVRPSYYAIPMMEB-VXPUYCOJSA-N 324.340 3.474 10 10 DGCE O=C(NCc1ccc(O)c(O)c1)c1cc(Cl)sc1Cl 158870645 YTMJFSAMKUESBD-UHFFFAOYSA-N 318.181 3.396 10 10 DGCE c1cc(OCC2CC2)ncc1CNCc1ccc2c(c1)CCO2 159943806 VVUFXHKRLOGHPT-UHFFFAOYSA-N 310.397 3.095 10 10 DGCE COCCNCc1ccc(N(C)C2CC2)c(C(F)(F)F)c1 163665113 MVIDGPKJLVPXNE-UHFFFAOYSA-N 302.340 3.040 10 10 DGCE CCNCc1ccc(N2CC[C@H](N(CC)CC)C2)c(Cl)c1 164064764 WEKSUKVBQJAQKU-HNNXBMFYSA-N 309.885 3.370 10 10 DGCE CCCCN(CCO)c1ccc(CNC)c(C(F)(F)F)c1 167369338 KVKYJDSCHZRCAZ-UHFFFAOYSA-N 304.356 3.024 10 10 DGCE CCCN(Cc1cc([N+](=O)[O-])ccc1O)C[C@@H]1CCCCO1 173348087 ZBPIRGHEFRHWJJ-HNNXBMFYSA-N 308.378 3.082 10 10 DGCE CC[C@H](N[C@@H](C)Cc1c(C)nn(C)c1C)c1ccccc1O 185213074 NHFCRJVPEQFCPN-SJCJKPOMSA-N 301.434 3.414 10 10 DGCE Cc1cc(Br)cc([C@H](C)NCc2ccnn2C)c1O 186992312 QJVFRKODTQLSCB-JTQLQIEISA-N 324.222 3.047 10 10 DGCE Cc1nn(C)c(C)c1OC(=O)c1cc(C)n(-c2ccccn2)c1C 192908162 WXBJGRKXKIZMAL-UHFFFAOYSA-N 324.384 3.059 10 10 DGCE CC(C)(C)OC(=O)N1CCC(NCc2cc(F)ccc2O)CC1 226606700 XPZLXFZEHRGJNY-UHFFFAOYSA-N 324.396 3.020 10 10 DGCE CCN[C@@H](C)c1ccc(N(CCO)CC(F)F)c(Cl)c1 231322635 NHEUZILOBUXVRJ-JTQLQIEISA-N 306.784 3.074 10 10 DGCE Cc1cnc([C@@H](C)NCc2cc(Br)ccc2O)o1 231532308 GBMGOUBRRDHKOE-SECBINFHSA-N 311.179 3.302 10 10 DGCE CCOc1cccc(CN[C@H](C)c2ccc3c(c2)OCO3)c1O 236931012 MGLIAEMEAJGRPZ-GFCCVEGCSA-N 315.369 3.370 10 10 DGCE COc1ccc(O)c(CN2CCC[C@@H]2C[C@@H](O)c2ccco2)c1 245872237 RWRJCFTWODZKIQ-RHSMWYFYSA-N 317.385 3.082 10 10 DGCE C[C@H](NCc1ccccc1O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 279689903 HZIQADVMSCEKMD-ZFWWWQNUSA-N 320.433 3.127 10 10 DGCE Oc1cccc(CNCc2cc(Br)ccc2O)c1 383928162 IZCKKCITFYEZHG-UHFFFAOYSA-N 308.175 3.150 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)c1ccsc1Br 699134739 NGCYDHPVSOJMAX-ZETCQYMHSA-N 315.196 3.426 10 10 DGCE CC(C)(C)OC(=O)N(C1CCC1)[C@H](C(=O)O)c1ccccc1O 712344861 DFLGTKIYAMTOQQ-AWEZNQCLSA-N 321.373 3.308 10 10 DGCE COc1ccc(CNC[C@H]2CCN2C(=O)OC(C)(C)C)cc1C 724915392 SYCZVNVOVBTDOW-OAHLLOKOSA-N 320.433 3.103 10 10 DGCE C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CC1(C)C 785427476 XQYSBWSEIUQWPD-DZGCQCFKSA-N 306.425 3.187 10 10 DGCE C[C@@H]1[C@H](C(=O)NCc2ccc(N(C)C)cc2)[C@H]1c1ccccc1 797422891 ZXMWTHUVPLTXBR-KYNGSXCRSA-N 308.425 3.419 10 10 DGCE CC[C@@H](C)[C@H](C)C(=O)NCc1cc(Br)ccc1O 804739790 SYSCKNROXHQTHF-ZJUUUORDSA-N 314.223 3.453 10 10 DGCE CC(=O)C(=O)COC(=O)C1(Cc2cccc(Cl)c2)CCCC1 808521279 MLZYROVTKGUSCT-UHFFFAOYSA-N 322.788 3.144 10 10 DGCE Cc1cc(Cl)cc(CN2C[C@]3(CCCO3)[C@H]2C2CC2)c1O 816666000 BPDCOODJUAGWLO-IAGOWNOFSA-N 307.821 3.497 10 10 DGCE COC[C@@H]1CCCN(Cc2cc(Cl)c(F)cc2O)CC1 825321637 JRXXSLJWCWSVDH-LLVKDONJSA-N 301.789 3.433 10 10 DGCE CCOc1cccc(CN[C@H](C)[C@@](C)(O)c2ccccc2)c1O 846034696 BMZPQCRJGIPVOV-AUUYWEPGSA-N 315.413 3.177 10 10 DGCE Cc1ccc([C@H](C)NC[C@@]2(CO)CCc3ccccc32)c(O)c1 846181509 ZQSDDEJNTJIBNP-MGPUTAFESA-N 311.425 3.228 10 10 DGCE CCN(C)c1ccc(CN2CCO[C@H](CC(F)(F)F)C2)cc1 852741212 XTVUBQZFVIDPFB-OAHLLOKOSA-N 316.367 3.296 10 10 DGCE CC[C@@H](NCC(C)(C)C(=O)N1CCCC1)c1ccc(F)cc1O 858541096 RWOFXKJWFVQVFF-OAHLLOKOSA-N 322.424 3.221 10 10 DGCE CC[C@@H](CC(F)F)C(=O)NCc1ccc2cccnc2c1O 862025442 UKYUWMNRERTTPK-JTQLQIEISA-N 308.328 3.238 10 10 DGCE CC[C@H](N[C@@H]1[C@@H]2C[C@@H]3[C@@H]1OC[C@@H]3C2)c1ccc(N(C)C)cc1 866444496 INNONJYATOSIDZ-KCCGOUDNSA-N 300.446 3.217 10 10 DGCE Oc1ccc(Cl)c(F)c1CN1CCO[C@@H](C(F)F)CC1 872257782 WXOVGWOQNZNZFF-LLVKDONJSA-N 309.715 3.041 10 10 DGCE C[C@@H](NC[C@@H]1CC[C@H](N)C1)c1cc(Cl)c(Cl)cc1O 925879466 FIBKHJKHIWEJPE-BBBLOLIVSA-N 303.233 3.477 10 10 DGCE O=C(Nc1c(Cl)ccc2nonc12)[C@@H]1C[C@H]1C(F)(F)F 1117884460 LKLOMOZBPZAAHG-RFZPGFLSSA-N 305.643 3.013 10 10 DGCE c1cc2c(cc1CNC1CCC3(CCOCC3)CC1)CCO2 1173040623 JAJYXPBFYINNOU-UHFFFAOYSA-N 301.430 3.451 10 10 DGCE CC1(C)CO[C@@H](CN(Cc2ccccc2O)C[C@@H]2CCCO2)C1 1192012751 JXWSEVNAYDYOAR-DLBZAZTESA-N 319.445 3.188 10 10 DGCE C[C@H](NC(=O)N1C[C@@H](C)OCC[C@H]1C)c1ccc(N(C)C)cc1 1234556339 SLKPYOKIEAHXCV-KFWWJZLASA-N 319.449 3.023 10 10 DGCE C[C@H](SCc1ccccc1)C(=O)NCc1c(O)cccc1F 1303878595 OEMZLGPOSQXGTM-LBPRGKRZSA-N 319.401 3.469 10 10 DGCE CCc1cccc(C(=O)NCc2cccc(Cl)c2O)c1O 1305084868 OKXVZPRRARMPQJ-UHFFFAOYSA-N 305.761 3.244 10 10 DGCE C[C@H](NC(=O)c1ccccc1Cn1cccn1)c1ccccc1O 1471194681 OQJIWQASFLOXPL-AWEZNQCLSA-N 321.380 3.128 10 10 DGCE C[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1N)c1ccccc1O 1471195123 CKJMGLMTAGZXED-SECBINFHSA-N 324.302 3.484 10 10 DGCE CCN(CC)c1ccc(CNC(=O)CN(C)CC(C)(C)C)cc1 1544580118 FZASDOHLBSNNRT-UHFFFAOYSA-N 319.493 3.127 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@H]2[C@H]2CCCO2)cc1 1570898334 QLMBTJUVXUUUDL-GUDVDZBRSA-N 324.424 3.391 10 10 DGCE C[C@@H](NC(=O)c1ccc2[nH]ccc2n1)c1ccc(N(C)C)cc1 1625543399 FSBRDJCIYPIDQP-GFCCVEGCSA-N 308.385 3.120 10 10 DGCE C[C@@H](CC(=O)NCc1ccc(O)cc1O)c1ccc(F)cc1 1626838285 VGMLSNRVEXGACB-NSHDSACASA-N 303.333 3.047 10 10 DGCE Cc1cccc([N+](=O)[O-])c1C(=O)NCc1cccc(Cl)c1O 1640404592 DEAGRMLUDWNUIZ-UHFFFAOYSA-N 320.732 3.192 10 10 DGCE CC(C)Cc1nnc(N(C)Cc2ccccc2O)n1[C@H]1C[C@H]1C 1692079816 FZBZRZDRLKAYDN-HIFRSBDPSA-N 314.433 3.400 10 10 DGCE COc1ccc(CNC[C@H](C)NC(=O)[C@@H](C)C2CCC2)cc1C 1699409352 WOIKFANBSHXFRF-GJZGRUSLSA-N 318.461 3.034 10 10 DGCE CCCCOc1ccc(/C=C2/C(=O)N(CC)N=C2C)cc1OC 1865671233 ROQMSACCJKEVKX-RVDMUPIBSA-N 316.401 3.496 10 10 DGCE CC(C)(C)OC(=O)N1CC2(CC2)C[C@@H]1[C@H](N)c1ccccc1O 1903289706 JNAPCNASRFDLDB-UKRRQHHQSA-N 318.417 3.182 10 10 DGCE [N-]=[N+]=NC1CCN(C(=O)c2cc(Cl)nc(Cl)c2)CC1 1912202260 DRZONTHWOCQMAD-UHFFFAOYSA-N 300.149 3.303 10 10 DGCE CCN[C@H](c1ccccc1O)c1nscc1Br 1942405766 MTFLIJDXGSEPHI-LLVKDONJSA-N 313.220 3.310 10 10 DGCE [N-]=[N+]=NCCc1cc(Br)cnc1Br 1951404663 GMKOUCMHINXTJF-UHFFFAOYSA-N 305.961 3.459 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H](COc1ccc(N)cc1)C(F)F 1952842719 JSWIFUBJAMDOMI-JTQLQIEISA-N 316.348 3.054 10 10 DGCE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1CCOc1ccc(N)cc1 1952989891 AQBSIOSSKGSANK-CHWSQXEVSA-N 306.406 3.199 10 10 DGCE C[C@H]1C[C@](O)(c2ccc(N(C)C)cc2)CN1Cc1ccccc1 1977939996 UMUKCNKTUHKBSM-OXJNMPFZSA-N 310.441 3.235 10 10 DGCE C[C@H](CNC(=O)OC(C)(C)C)C[C@@H](O)c1ccc(N(C)C)cc1 1977957434 FJHWZSDNXYYQLP-XJKSGUPXSA-N 322.449 3.337 10 10 DGCE C[C@@H](CC1CN(C(=O)OC(C)(C)C)C1)[C@@H](N)c1ccccc1O 1984136702 CFKNOYARJYEOIA-BLLLJJGKSA-N 320.433 3.285 10 10 DGCE CC(C)(C)OC(=O)NC[C@]1(F)C[C@@H](COc2ccc(N)cc2)C1 1992446830 HLNCRFANNTVIDL-LAUQKZGBSA-N 324.396 3.291 10 10 DGCE CC[C@H](COC)N(C)Cc1cccc(Br)c1O 2001428310 MUMYLSWTZBAABN-LLVKDONJSA-N 302.212 3.012 10 10 DGCE CC[C@@H](C(F)F)N(C)c1ccc(CO)cc1Br 2009023464 UKIONHITLKSQPO-JTQLQIEISA-N 308.166 3.421 10 10 DGCE Cc1onc(CN2CCC[C@@H](CN=[N+]=[N-])C2)c1Br 2055412740 HKAOOPXBFVCJFU-VIFPVBQESA-N 314.187 3.268 10 10 DGCE CC(C)(C)c1sc(C=O)c(O)c1I 2080421092 NDLHTZPCHMSFRT-UHFFFAOYSA-N 310.156 3.168 10 10 DGCE CCN[C@]1(CO)C[C@H](Sc2nccs2)CCC1(C)C 2099188764 LTJFYZGMYOMKMV-RISCZKNCSA-N 300.493 3.155 10 10 DGCE CNCc1ccc(N(C)Cc2cc(Br)cn2C)cc1 2114688910 XDLVOKHYTXNKQZ-UHFFFAOYSA-N 322.250 3.143 10 10 DGCE CSc1ccc([C@H](O)[C@H](N)c2ccc(N(C)C)cc2)s1 2163144684 NUUNVWAMEXLKPP-CABCVRRESA-N 308.472 3.269 10 10 DGCE C[C@@H](N)c1ccc(N(C)Cc2c(Cl)cnn2C)c(Cl)c1 2168141429 PKMUYOSKPCOHJW-SECBINFHSA-N 313.232 3.383 10 10 DGCE COCCN(c1ccc([C@@H](C)O)cc1Cl)[C@H]1CCSC1 2170157691 TVTFRPOVNIBVIS-YPMHNXCESA-N 315.866 3.352 10 10 DGCE CN(C[C@@]1(C)CCCCO1)c1cc(Cl)c(CN)cc1F 2199137900 CWGSHPDOXICHSP-OAHLLOKOSA-N 300.805 3.333 10 10 DGCE CN[C@H](C)c1ccc(N(C)C[C@@]2(F)CCOC2)cc1Cl 2238284500 KQBWXMXENZAGII-ABAIWWIYSA-N 300.805 3.185 10 10 DGCE Oc1ccc(Cl)cc1CNC[C@H]1OCC[C@@H]1C(F)(F)F 2240534217 JOXICQXZDJBGFC-CMPLNLGQSA-N 309.715 3.103 10 10 DGCE CCN(CCN=[N+]=[N-])C(=O)C=Cc1ccc(Br)o1 2315992412 LTMLOVGKPOHAFQ-UHFFFAOYSA-N 313.155 3.214 10 10 DGCE Cc1ccc(CN2C[C@@H]3C[C@H]2[C@@H]2C[C@@H]32)c(O)c1Br 2327598853 HLUFZBKKAKRVSK-RVMXOQNASA-N 308.219 3.303 10 10 DGCE CCCC1=NN(CC(C)C)C(=O)C1=Cc1ccc(O)c(O)c1 2332094453 HOLNNVUFVWNETJ-UHFFFAOYSA-N 302.374 3.136 10 10 DGCE CCN1N=C(c2ccccc2)C(=Cc2ccc(OC)c(O)c2)C1=O 2332100159 RMSQRIBRPKLRFT-UHFFFAOYSA-N 322.364 3.051 10 10 DGCE CC1=NN(Cc2cccc(F)c2)C(=O)C1=Cc1ccccc1O 2332140184 IXBQYXDCKATGHM-UHFFFAOYSA-N 310.328 3.333 10 10 DGCE CCOCCOCCSc1ncc(CNC(C)(C)C)s1 2365624045 YCQGYYZOGZTIHZ-UHFFFAOYSA-N 318.508 3.176 10 10 DGCE COc1ccc(N(C)C[C@@]2(O)C[C@@H]2C(F)(F)F)cc1Cl 2370438723 YSXLTLJYLQPVBM-RYUDHWBXSA-N 309.715 3.098 10 10 DGCE CC(C)CCCNC(=O)COc1ccc(N2CCCC2)cc1 178192518 IHKODOUHFQJTQC-UHFFFAOYSA-N 304.434 3.218 10 10 DGCE COc1ccc(-c2noc(/C=C/c3ccc(O)c(O)c3)n2)cc1 185185907 UKGOAGHHZJPSMD-YCRREMRBSA-N 310.309 3.327 10 10 DGCE CC[C@@H](N)Cc1c(C(F)F)nn(C)c1Sc1nccs1 2365263142 XBVUEZQQAXGAAF-SSDOTTSWSA-N 318.418 3.245 10 10 DGCE C[C@@H](N[C@H]1CCc2cccc(O)c21)c1nnc2n1CCCCC2 323921084 VDAUIUILEZNNII-OCCSQVGLSA-N 312.417 3.048 10 10 DGCE CSC[C@@H](C)NCc1cc(Br)cc(C)c1O 133245397 LNPFAAYGGUWVQR-SECBINFHSA-N 304.253 3.304 10 10 DGCE CC[C@H](NC[C@H](CC(C)C)N1CCOCC1)c1ccccc1O 192935854 YLPSYYRKTQKPSA-WMZOPIPTSA-N 320.477 3.180 10 10 DGCE CCN(C(=O)c1snnc1C(C)(C)C)c1ccc(N)cc1 87444033 QHDPVYZKDUEOKW-UHFFFAOYSA-N 304.419 3.085 10 10 DGCE C[C@@H](CN[C@H](C)c1ccccc1O)N(C)C(=O)OC(C)(C)C 283187801 KICITJKRFQYRCW-QWHCGFSZSA-N 308.422 3.298 10 10 DGCE Nc1ccc(Nc2c(Br)cncc2[N+](=O)[O-])cc1 236355287 KCXRJPQVBNYZIB-UHFFFAOYSA-N 309.123 3.078 10 10 DGCE CN(Cc1ccoc1)c1ccc(CN)c(Br)c1F 231839301 KGQFSLDTHZDYOJ-UHFFFAOYSA-N 313.170 3.276 10 10 DGCE CC[C@H]1C[C@@H]2C(=O)N(c3cc(Cl)c(N)cc3C)C(=O)[C@@H]2C1 253278771 JSQWFWVNFSIQJG-RTCCRHLQSA-N 306.793 3.156 10 10 DGCE COc1ccc(N2CCN(C(=O)C3(F)CCCCC3)CC2)cc1 809940127 DHMQRLHWUWFILC-UHFFFAOYSA-N 320.408 3.016 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CC[C@H]2OCC[C@@H]2C1 724814986 XVJXSKKRGZQDSS-NOZJJQNGSA-N 302.201 3.310 10 10 DGCE CC[C@H](C)[C@H](O)[C@@H](N)c1ccc(OCc2ccccc2)cc1O 396760105 KPKTVZPTGHAEON-AGRHKRQWSA-N 315.413 3.378 10 10 DGCE CN(C)Cc1cc(CN[C@@H]2CCc3cccc(O)c32)ccc1F 297734049 NQTJRXHMJOKAES-QGZVFWFLSA-N 314.404 3.370 10 10 DGCE CO[C@@]1(CN[C@H](C)c2ccc(Cl)cc2O)CCSC1 903314384 MTEAMWQAPOSPSV-QMTHXVAHSA-N 301.839 3.218 10 10 DGCE CC(C)(NC(=O)NCc1ccc(N2CC=CC2)cc1)C1CCC1 838487081 VWKYAFPNBIDYSG-UHFFFAOYSA-N 313.445 3.441 10 10 DGCE CCN(CC)c1ccc(CNC(=O)NC[C@H]2C[C@H]2C)cc1F 731364181 SOTWTUMOMPFHEF-TZMCWYRMSA-N 307.413 3.127 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CC2(CCCOC2)C1 839138160 IZDUZCMYCVNCEC-UHFFFAOYSA-N 302.201 3.311 10 10 DGCE CCc1cccc(CN2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1O 848915836 MKJKXHXPXCVEFO-RCCFBDPRSA-N 303.446 3.470 10 10 DGCE C[C@H](NC[C@@]1(CO)CCc2ccccc21)c1ccc(F)cc1O 846177316 AAKDTNCQUSDXOZ-ORAYPTAESA-N 315.388 3.058 10 10 DGCE CCOc1ccc(O)c(CNCC[C@H]2CC2(Cl)Cl)c1 856807381 NWWNGRZNGPNKCW-NSHDSACASA-N 304.217 3.464 10 10 DGCE COc1cccc([C@H](C)NC[C@H]2CCN2C2CCCC2)c1O 858531720 JLUUDQDWUBRQFY-DZGCQCFKSA-N 304.434 3.068 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)[C@@]3(C)CCC[C@H]3C)C2)cc1 855226977 RUKGCRQHJRTSGE-VCBZYWHSSA-N 316.445 3.216 10 10 DGCE Oc1cccc2c1[C@H](NCC[C@H]1CC[C@H](C(F)(F)F)O1)CC2 926904087 DODWSEYZSMIHAV-YRGRVCCFSA-N 315.335 3.469 10 10 DGCE COc1ccc(O)c([C@@H](C)NCCN2[C@@H](C)CCC[C@H]2C)c1 756552460 MGIJRFOAYIGCQI-QLFBSQMISA-N 306.450 3.314 10 10 DGCE c1cc(N2CCSCC2)ccc1CN[C@@H]1COC2(CCC2)C1 850424583 LHYHJPIBKVJYNK-INIZCTEOSA-N 318.486 3.041 10 10 DGCE CN(C[C@@H]1C[C@@H]2COC[C@H]2O1)c1ccc(-c2nccs2)cc1 930709818 IJDPOEDNKYMSGC-VNQPRFMTSA-N 316.426 3.050 10 10 DGCE Cc1ccc(O)c(CNC(=O)N[C@@H]2C[C@H]2c2ccsc2)c1 858862613 LVXLRLGTFACOSR-UONOGXRCSA-N 302.399 3.117 10 10 DGCE C[C@@H](N)c1ccc(N2CCO[C@@H](C(F)(F)F)C2)c(Cl)c1 698816188 YTKXJALACPRFJL-PRHODGIISA-N 308.731 3.127 10 10 DGCE CC1(CNCc2ccc(N3CCC(O)CC3)c(F)c2)CCC1 766215394 WXAYWKZYSBFSKO-UHFFFAOYSA-N 306.425 3.067 10 10 DGCE O=C(CC1CSC1)NCc1cc(Cl)cc(Cl)c1O 868356865 IDRWNQQNONUSJU-UHFFFAOYSA-N 306.214 3.068 10 10 DGCE CC1(C)CN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1c1ccco1 869788463 QRUMZISYJOSLMX-JKNJVXJCSA-N 313.353 3.314 10 10 DGCE COc1ccc(O)c([C@@H](C)Nc2ncncc2Br)c1 765489078 KUAMONVPHBFZEC-MRVPVSSYSA-N 324.178 3.126 10 10 DGCE CC[C@@H](C)Oc1cc(C(=O)N2Cc3cccc(O)c3C2)ccn1 871204668 OKQNJOUSMKSJKY-GFCCVEGCSA-N 312.369 3.121 10 10 DGCE CCOC[C@H](C)NCc1ccc(OCc2ccccc2)cc1O 779199090 SYNJRBBOMHATGA-HNNXBMFYSA-N 315.413 3.486 10 10 DGCE COc1ccc(CNC[C@@H]2CC[C@]3(CO[C@H](C)[C@@H]3C)O2)cc1C 886340933 NHNKGEKVRGSDAW-JHDROBOHSA-N 319.445 3.066 10 10 DGCE CC(C)(C)OCCCNC(=O)c1cc2cc(O)c(O)cc2s1 898725503 UVYZREOEJSCORY-UHFFFAOYSA-N 323.414 3.248 10 10 DGCE C[C@@H](NCCCCNC(=O)OC(C)(C)C)c1ccc(O)cc1O 397843116 HBBRZEFYZJGJPS-GFCCVEGCSA-N 324.421 3.053 10 10 DGCE C[C@H](NCC1(C(F)(F)F)CC1)c1cc([N+](=O)[O-])ccc1O 797071130 RDILJNXCRFNOMU-QMMMGPOBSA-N 304.268 3.294 10 10 DGCE O=C(/C=C/C=C(Cl)Cl)NCc1ccc2cccnc2c1O 1142730733 DORKBEZUCKGZRP-ORCRQEGFSA-N 323.179 3.432 10 10 DGCE C[C@H](N)c1ccc(N2CCO[C@](C)(C(F)F)C2)cc1Cl 698821674 KHNYYYNBHQJLCC-XPTSAGLGSA-N 304.768 3.220 10 10 DGCE c1cc2c(cc1CNCC1([C@@H]3CCCCO3)CCC1)CCO2 1308479881 PSCOTCYMZJPASS-SFHVURJKSA-N 301.430 3.451 10 10 DGCE Cc1cc(=NC(=O)c2cc(C)n(-c3ccccn3)c2C)cc(C)[nH]1 1319544512 NDFKSDOCMHTTEH-UHFFFAOYSA-N 320.396 3.175 10 10 DGCE CN(Cc1ccc(N)cc1)[C@@H]1CCCC2(OCCO2)C1(C)C 2116390522 FNKUWCNGJMPKMB-MRXNPFEDSA-N 304.434 3.022 10 10 DGCE Cc1ncccc1/C=C/C(=O)N1C[C@@H](C)C(=O)Nc2ccccc21 1353942692 PCTUHUFRDQRZFF-WTNCMQEWSA-N 321.380 3.025 10 10 DGCE [N-]=[N+]=N[C@@H]1CCN(C(=O)c2ccc(Br)c(F)c2)C1 1912150527 UYDFLZVNRMVFSL-MRVPVSSYSA-N 313.130 3.113 10 10 DGCE Cn1c(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)cc(Cl)c1Cl 1912206666 UHYOTHGSVXAJJY-SSDOTTSWSA-N 302.165 3.104 10 10 DGCE Cc1ccc(CCNC(=O)c2ccc(N=NC(N)=O)cc2)cc1C 1469944291 MLCSTHWHQCNJFI-UHFFFAOYSA-N 324.384 3.438 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)[C@]23CCCC[C@@H]2C3)cc1 1530904586 IUFZQDWJJVEJNK-BEFAXECRSA-N 316.445 3.170 10 10 DGCE COc1ccc(N(C)CCN(C)CCc2ccccc2F)cc1 1619656220 GLHNPLBIAHXBLF-UHFFFAOYSA-N 316.420 3.445 10 10 DGCE CCN(CCNCc1ccc(OC)c(C)c1)C(=O)C1(CC)CC1 1482947389 HVGJVOCQURNDGH-UHFFFAOYSA-N 318.461 3.132 10 10 DGCE C/C(Cl)=C\C(=O)Nc1c(-c2ccccn2)nc2ccccn12 1625656375 ADXKFMFYZRFZBK-ZHACJKMWSA-N 312.760 3.477 10 10 DGCE CCOC(=O)c1cnc(NCc2cccc(Cl)c2O)s1 1643298778 YWOFGNBFUYCVKB-UHFFFAOYSA-N 312.778 3.291 10 10 DGCE CCOC(=O)c1cnc(Sc2ccc3c(c2)CCO3)s1 1642775043 BQNPSLLQGVEKSH-UHFFFAOYSA-N 307.396 3.406 10 10 DGCE O=C(N[C@@H]1CCc2ccc(Cl)cc21)c1c(F)ccc(O)c1O 1651177172 MRXCKQVGWGDIHK-GFCCVEGCSA-N 321.735 3.308 10 10 DGCE c1cc2c(cc1CNC[C@@H]1CCCCN1C1CC1)CCCO2 1662391086 GMHJQXNXCCLZLL-SFHVURJKSA-N 300.446 3.118 10 10 DGCE CC(=O)c1ccc(NC(=O)NCc2c(O)cccc2F)cc1C 1669450029 KNPNSOZUHABJBU-UHFFFAOYSA-N 316.332 3.364 10 10 DGCE Cc1ccc(O)c(CNC(=O)NCc2ccc3ncccc3c2)c1 1686372262 DVJZQPGXTITBHT-UHFFFAOYSA-N 321.380 3.248 10 10 DGCE CC[C@@H](NC(=O)NCc1c(O)cccc1F)c1ccccc1 1683401034 RHFSUFGUOIXTTA-OAHLLOKOSA-N 302.349 3.482 10 10 DGCE CC(=O)c1cccc(/N=N/N2CCN(c3ccccn3)CC2)c1 1860483570 ZHHXYGGIZATXCX-FMQUCBEESA-N 309.373 3.105 10 10 DGCE CN(C)c1ccc2c(c1)CN(C(=O)C1CCCCC1)CCO2 827968102 VHVBOLXUHAIVMJ-UHFFFAOYSA-N 302.418 3.054 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCN1CCN=[N+]=[N-] 1962302787 CDNWUZVKOVPXLO-CHWSQXEVSA-N 309.414 3.161 10 10 DGCE C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1CCCCN=[N+]=[N-] 1962302090 XNHRVPHYJJMWNX-CHWSQXEVSA-N 311.430 3.312 10 10 DGCE Cc1scnc1CNCc1cccc(Br)c1O 1947342427 DUGFSQDUDHTEHC-UHFFFAOYSA-N 313.220 3.209 10 10 DGCE Nc1ccc(N[C@H]2CN(Cc3ccccc3)[C@]3(CCOC3)C2)cc1 1948886637 KVRNTIGPPKCJIK-WOJBJXKFSA-N 323.440 3.114 10 10 DGCE NCc1ccc(N2CC[C@H](CCF)C2)cc1Br 2001375575 KGTUZCYYUBMXFJ-JTQLQIEISA-N 301.203 3.094 10 10 DGCE C[C@@H](N)c1cnc(Sc2cncc(Br)c2)s1 1976526070 NUDNVIISYKGMRJ-ZCFIWIBFSA-N 316.249 3.472 10 10 DGCE COc1ccc(CN[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)cc1C 1984414538 HBEXTWCQCBCGGH-GJZGRUSLSA-N 320.433 3.006 10 10 DGCE CN(C(=O)OC(C)(C)C)[C@H]1CN(c2ccc(N)cc2)CC12CC2 1994868250 XGGJSVPHGYZINH-HNNXBMFYSA-N 317.433 3.105 10 10 DGCE Oc1c(Br)cccc1CN[C@H](CF)C(F)(F)F 2012899256 ORXNBHZBVQRGCU-MRVPVSSYSA-N 316.092 3.145 10 10 DGCE NCc1ccc(N2C[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2)cc1Br 311839853 HIOGGNPVNQIHQI-UOVKNHIHSA-N 321.262 3.390 10 10 DGCE Oc1cc(Cl)ccc1CNCc1cc2c(s1)CCOC2 2159487659 BUEFBMIIPXSHPX-UHFFFAOYSA-N 309.818 3.470 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(S(=O)(=O)C2CCCCCC2)CC1 2161422818 LEJMEVSFLDFBIP-LBPRGKRZSA-N 300.428 3.204 10 10 DGCE C[C@H](N)c1ccc(N2CCS[C@H]3COCC[C@@H]32)c(Cl)c1 2170487708 SCLHNDVWFUFKTP-LKTVYLICSA-N 312.866 3.070 10 10 DGCE COC(C)(C)[C@H](C)NCc1ccc(Br)cc1O 720164876 HMJOPWDTTLIDTO-VIFPVBQESA-N 302.212 3.058 10 10 DGCE CC[C@H](C)N(Cc1ccccc1)c1ccc2c(c1)N(C)C(=O)[C@H]2N 387265749 SBGAFPAGSZVVLI-LIRRHRJNSA-N 323.440 3.468 10 10 DGCE CCNCc1cc(F)c(N(C)[C@@H]2CCCSC2)c(F)c1 821896077 RTCNEWWGZOTOLR-GFCCVEGCSA-N 300.418 3.406 10 10 DGCE CN(C)Cc1cn(-c2ccc(O)c(O)c2)nc1CC1CCCC1 2069839897 VTXYQCZQOKZPGR-UHFFFAOYSA-N 315.417 3.078 10 10 DGCE Cc1ccc([C@H](C)n2nc(C)c(C=O)c2Br)c(O)c1 2079110250 AQVPWNQEUGLZON-JTQLQIEISA-N 323.190 3.390 10 10 DGCE CC[C@H](c1cc(Br)ccc1O)N(C)[C@H](C)CNC 2049147127 CDDYXVLTXRNOAP-ZWNOBZJWSA-N 315.255 3.146 10 10 DGCE Cc1cc(CN)ccc1N(C)[C@@H]1CS[C@H](C(F)(F)F)C1 2189455878 YKJVSDZOUTZCED-AAEUAGOBSA-N 304.381 3.326 10 10 DGCE Oc1c(F)cc(Br)cc1CN[C@@H]1C[C@]12CC2(F)F 2052007979 AWXFNAHFSUBZGP-KOLCDFICSA-N 322.124 3.181 10 10 DGCE C[C@H](c1cc(Br)ccc1O)N(C)[C@]1(C)CCOC1 2055449152 RMWCLJAHZXOJQS-QMTHXVAHSA-N 314.223 3.327 10 10 DGCE Cc1cc(Br)cc(CN2C[C@@H](F)C[C@@H](F)C2)c1O 2062335476 MNXNTAPHIPEJNW-TXEJJXNPSA-N 320.177 3.345 10 10 DGCE CN(c1ccc(CO)c(Br)c1)[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32 2070855593 RZPHCLSVHTWWAA-MYDLQGKQSA-N 308.219 3.032 10 10 DGCE COc1ccc(N2CCC[C@@H](NCC(F)F)C2)cc1Cl 2203008173 OPRIRACXYXVOFM-SNVBAGLBSA-N 304.768 3.172 10 10 DGCE Cc1ncc(Br)cc1NC(=O)Nc1ccc(N)cc1 2265181018 HSGUYBDNRMFPDD-UHFFFAOYSA-N 321.178 3.379 10 10 DGCE C[C@H](c1cccs1)N(C)C(=O)C=Cc1ccc(O)c(O)c1 2307986341 PEPOGYSJZVFRFP-LLVKDONJSA-N 303.383 3.392 10 10 DGCE CSc1cc(N(C)CC2(Br)CC2)ccc1CN 2308065282 IOFRCNJZTDEFAK-UHFFFAOYSA-N 315.280 3.231 10 10 DGCE O=[N+]([O-])c1ccc(O)c(CN2CCc3[nH]c4ccccc4c3C2)c1 171614152 IOXYLFNPTAMQME-UHFFFAOYSA-N 323.352 3.340 10 10 DGCE Nc1ccc(CC(=O)Nc2cccc(Oc3cccnn3)c2)cc1 178822697 PLRPRAAFZRRBIE-UHFFFAOYSA-N 320.352 3.032 10 10 DGCE C[C@H](NCc1ccc(CO)c(F)c1)c1ccc(N(C)C)cc1 178562128 GACUYPPOVGNNNI-ZDUSSCGKSA-N 302.393 3.235 10 10 DGCE N[C@@H](CCCCO)c1ccc(OCc2ccccc2)cc1O 309719521 LTANYTIYVPVGDG-KRWDZBQOSA-N 301.386 3.134 10 10 DGCE Cc1ccc(O)c(NC2=NC(=O)/C(=C/c3ccncc3)S2)c1 39869694 DIOWYMPGBJMENX-ZROIWOOFSA-N 311.366 3.178 10 10 DGCE COc1ccc(CCNC(=O)c2ccc(CN=[N+]=[N-])o2)cc1 1537963205 ZWKNWVUVIRIWOZ-UHFFFAOYSA-N 300.318 3.071 10 10 DGCE CCc1ccc(C(=O)NCCCSc2nccs2)c(C)n1 183771958 CRIYJUTYUVFYRR-UHFFFAOYSA-N 321.471 3.321 10 10 DGCE C[C@H]1CN(c2ccc([C@@H](C)N)c(Br)c2)C[C@@H](C)O1 235223232 PVYHCRPVNPCIAE-OUAUKWLOSA-N 313.239 3.082 10 10 DGCE CN(C)CCCNC(=O)N(c1ccccc1)c1ccc(N)cc1 244212562 VVBZLPLLXYOPNH-UHFFFAOYSA-N 312.417 3.068 10 10 DGCE C[C@@H](NC[C@@H]1c2ccccc2C(=O)N1C)c1ccc(F)cc1O 528001015 GGPKJBZWKJQUSE-BDJLRTHQSA-N 314.360 3.009 10 10 DGCE Cc1cc(Cl)cc(CN2CCC[C@H](c3ncc[nH]3)C2)c1O 271763635 ZPROZPIRNISIAC-LBPRGKRZSA-N 305.809 3.457 10 10 DGCE CCc1csc(S[C@@H](C)C(=O)Nc2ccc(N)cc2)n1 382927250 DTLAPVGKGVQLMZ-VIFPVBQESA-N 307.444 3.407 10 10 DGCE O=C(NCc1cc(Br)ccc1O)C1=CCCCC1 804735749 IMVGQEDHEZOVAH-UHFFFAOYSA-N 310.191 3.271 10 10 DGCE Oc1cc2c(cc1CN1CC3(CCC3)[C@@H]1[C@H]1CCCO1)CCC2 811791952 KOKILQUODSREPC-MOPGFXCFSA-N 313.441 3.414 10 10 DGCE Cc1[nH]c2ccccc2c(=NCCc2ccc(O)c(O)c2)c1C 811810838 FGDVGIAPEWQNRH-UHFFFAOYSA-N 308.381 3.339 10 10 DGCE CCCN(Cc1cnn(-c2ccccc2)n1)Cc1ccccc1O 727830870 SGGYGKWJTNHJNU-UHFFFAOYSA-N 322.412 3.385 10 10 DGCE COC(=O)[C@@H]1CCCC[C@@H]1NCc1cc(Cl)cc(C)c1O 824854548 UVIYLRKZWWHNMA-KGLIPLIRSA-N 311.809 3.175 10 10 DGCE CCN(CC)c1ccc(CNC(=O)Nc2cc(F)ccn2)cc1 824825105 MLUCPUJTEDJNJP-UHFFFAOYSA-N 316.380 3.389 10 10 DGCE CO[C@H]1CC[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 821033045 KAYJMVMIIFIWON-QAPCUYQASA-N 316.445 3.059 10 10 DGCE Cc1cc(C)c([C@@H](C)NCc2nc(CN(C)C)cs2)c(O)c1 903219791 KDXVSQVEUGQRLD-CYBMUJFWSA-N 319.474 3.378 10 10 DGCE CN(C)c1ccc(/C=C\CN2CC[C@@H](Oc3ccncc3)C2)cc1 835051833 KIQLLCKDSYVLKW-HZQHCPKGSA-N 323.440 3.314 10 10 DGCE COc1cc(O)c(CNC2CCC(C(F)F)CC2)cc1OC 839178774 BYXMTQAEVVCESW-UHFFFAOYSA-N 315.360 3.323 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@H](CO)c2ccc(F)cc2)cc1 835040908 VYXJHSXHJURGKF-GNAXCBTBSA-N 314.404 3.228 10 10 DGCE Cc1cc(CN2CC[C@](O)(C(F)F)C2)ccc1N1CCCCC1 831181792 XMMNYNRXITVVKZ-GOSISDBHSA-N 324.415 3.187 10 10 DGCE C[C@@H]1Cc2ccccc2[C@H]1NC(=O)NCCc1ccc(N)cc1 841809511 ZWYZSNVEYIFMKA-ACJLOTCBSA-N 309.413 3.044 10 10 DGCE Cc1cc(N(C)C)ccc1CN1CCc2cc(Cl)nnc2C1 843416011 OMWJVZPWZZAKGK-UHFFFAOYSA-N 316.836 3.063 10 10 DGCE Cc1ccc([C@@H](C)NC[C@H]2CCC3(CCOCC3)O2)c(O)c1 927015654 RMXOSOZWFBUWDW-HUUCEWRRSA-N 305.418 3.079 10 10 DGCE CN(C)c1ccc(CNC(=O)N2CCC[C@@H](CCF)C2)cc1 853244417 LVNMZVFVQLSVKR-HNNXBMFYSA-N 307.413 3.034 10 10 DGCE COc1ccc(N2CC[C@H](CNC[C@]3(C)CCCS3)C2)cc1 862397156 CAEJWRZJCYHMLP-QAPCUYQASA-N 320.502 3.397 10 10 DGCE C[C@@H](N[C@@H]1CCCC[C@@H]1O)c1cccc(C(F)(F)F)c1O 866638830 LYFYOKCYXBNCON-WQAKAFBOSA-N 303.324 3.365 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H](C)O[C@@H]1C 868110082 SBFMZYCKHMUFOT-IIAWOOMASA-N 305.418 3.334 10 10 DGCE CC(C)(C)OC(=O)N[C@H](c1cccc(N)c1O)C(F)(F)F 1953030881 IAXVGKXBPKYEPJ-SNVBAGLBSA-N 306.284 3.103 10 10 DGCE C[C@H](NC(=S)N1Cc2cccc(O)c2C1)c1cccs1 865258362 DGRAZXUPEWXEQE-JTQLQIEISA-N 304.440 3.405 10 10 DGCE C[C@H](NCc1cccc2c1CCOC2)c1ccc(F)cc1O 866478376 HXJKOXLDXOZEKP-LBPRGKRZSA-N 301.361 3.455 10 10 DGCE FCC[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)CCO1 862529378 CQJYQUPXBADMHD-GOSISDBHSA-N 306.425 3.237 10 10 DGCE C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 1125534088 BAAWTQPHJWCBDB-NGFQHRJXSA-N 304.409 3.190 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1[C@H]2CCC[C@H]21 787405091 CXDNZTWOJPBOTR-BCDXTJNWSA-N 315.461 3.471 10 10 DGCE CCOc1ccc2cc(C(=O)N3Cc4cccc(O)c4C3)[nH]c2c1 1152566062 SZHWTUKUASJXMG-UHFFFAOYSA-N 322.364 3.428 10 10 DGCE CCN(C[C@@H]1CC2(CCC2)CO1)c1ccc(OC)c(OC)c1 1307573345 GTQWHPNLMZBQNX-HNNXBMFYSA-N 305.418 3.489 10 10 DGCE CN(C)c1ccc(CN2CC(CC3CCOCC3)C2)cc1F 1353605023 HOUKFNBLXVTVJS-UHFFFAOYSA-N 306.425 3.140 10 10 DGCE Cc1c(NC(=O)c2ccc(N=NC(N)=O)cc2)n[nH]c1C1CC1 1443249612 QKIXPLNENSXRNP-UHFFFAOYSA-N 312.333 3.010 10 10 DGCE C[C@@H](CCO)N(Cc1ccccc1)c1ccc([C@@H](C)N)c(O)c1 1915401814 XTYCZHPQQLZSND-LSDHHAIUSA-N 314.429 3.189 10 10 DGCE C[C@]1(NC(=O)Cc2ccc(O)c(O)c2)CCCc2ccccc21 1623761596 CINYZIHCVABHGL-IBGZPJMESA-N 311.381 3.008 10 10 DGCE CCc1nc(C)c(NC(=O)c2ccc(N=NC(N)=O)cc2)s1 1634606226 YXYZSLJIPAFMRK-UHFFFAOYSA-N 317.374 3.429 10 10 DGCE COc1ccc(N(C)C[C@@H]2CCCCN2C(C)C)cc1OC 1644464661 UQXUPSQPRQKBDC-INIZCTEOSA-N 306.450 3.403 10 10 DGCE COc1ccc(CN[C@@H](C)CN(C)C(=O)C=C2CCC2)cc1C 1676330661 NTCRPOYPEOSJKN-HNNXBMFYSA-N 316.445 3.050 10 10 DGCE O=C(O)/C=C/c1ccc(N2CCSCC2)c(C(F)(F)F)c1 163771313 IYQCRKCJDCSSQH-DUXPYHPUSA-N 317.332 3.356 10 10 DGCE Cc1cc(C)c(O)c(CN2CCO[C@@H](c3nc(C)cs3)C2)c1 164245555 HYYLWAARKCHBCQ-OAHLLOKOSA-N 318.442 3.347 10 10 DGCE c1ccc(N2CCN(/N=N/c3ccc4c(c3)OCO4)CC2)cc1 1860481785 SODRESMSNZTNSX-VHEBQXMUSA-N 310.357 3.236 10 10 DGCE Cc1ccc([C@H](C)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1 1938281418 NNJPZCPEANYKPA-MELADBBJSA-N 320.433 3.407 10 10 DGCE C[C@H](CC1CN(C(=O)OC(C)(C)C)C1)NCc1ccccc1O 1938388322 JHNGJNDAVHZTPG-CYBMUJFWSA-N 320.433 3.127 10 10 DGCE CCCN[C@H](CNC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1977945247 MTZSTYAJSQDSMJ-MRXNPFEDSA-N 321.465 3.318 10 10 DGCE CC(C)(C)OC(=O)N[C@H](CC1CCC1)[C@H](N)c1ccccc1O 1986008849 QNOOKRVIAIULPE-GDBMZVCRSA-N 320.433 3.476 10 10 DGCE Cc1cc(C)nc(CNCc2cc(Cl)cc(Cl)c2O)n1 2149971829 VBAFEWZRTIPFHL-UHFFFAOYSA-N 312.200 3.396 10 10 DGCE COc1cccc(Cn2nc(C3CCCC3)cc2C(=O)O)c1O 2069906465 XSYJPSFRWKNQMR-UHFFFAOYSA-N 316.357 3.001 10 10 DGCE COc1ccc([C@H](C)n2nc(-c3ccccc3)cc2N)c(O)c1 2070176324 GQOVGTFYMKCBPP-LBPRGKRZSA-N 309.369 3.456 10 10 DGCE CC[C@H](c1cc(C)c(C)cc1O)n1nc(C(F)F)c(N)c1N 2079846009 WTZSUYTURLVVLT-SNVBAGLBSA-N 310.348 3.307 10 10 DGCE CNCc1ccc(N(C)C[C@]2(OC)CCSC2)cc1Cl 2186292980 NTCAJZGEYYNVJC-OAHLLOKOSA-N 314.882 3.018 10 10 DGCE C[C@H]1C(CN(C)c2ccc(CN)c(Br)c2F)[C@@H]1C 2043301109 OPUDTOAHDYSXPC-RKDXNWHRSA-N 315.230 3.385 10 10 DGCE Oc1ccc(CNCc2snc(Cl)c2Cl)cc1O 2048346793 XHSFYVGIQPRCIZ-UHFFFAOYSA-N 305.186 3.151 10 10 DGCE CNCc1ccc(N2C[C@@H]3C[C@@H]3[C@H]3C[C@H]32)cc1Br 2053741541 OOUVVIWBBSHYEA-MUYACECFSA-N 307.235 3.013 10 10 DGCE Cc1nn(C)c(CN(C)c2ccc(CN)cc2Cl)c1Cl 2240983586 CFDNZGVVPCNHOQ-UHFFFAOYSA-N 313.232 3.130 10 10 DGCE COc1ccc(O)c([C@H](C)Nc2cnncc2Br)c1 2278770210 CJDZPIUUHPGNAL-QMMMGPOBSA-N 324.178 3.126 10 10 DGCE CN(C)c1ccc(C=Cc2nc3ccccc3c(=O)n2C)cc1 2296400368 XJSYUCVBXVNESQ-UHFFFAOYSA-N 305.381 3.170 10 10 DGCE COCC1(CNCc2cccc(Cl)c2O)CC(F)(F)C1 2295656307 DXODXIVHVGVAOL-UHFFFAOYSA-N 305.752 3.197 10 10 DGCE O=C(C=Cc1cccnc1)N1CCCc2cc(F)c(F)cc21 2297159366 DUPLJSXWCNEBSB-UHFFFAOYSA-N 300.308 3.352 10 10 DGCE COCc1cc(F)ccc1NC(=O)C=Cc1ccc(O)c(O)c1 2309635950 KHPSOSSFPAYDHG-UHFFFAOYSA-N 317.316 3.035 10 10 DGCE Oc1ccc(Br)cc1CN[C@@H]1C[C@@H]2C[C@H]1C[C@H]2F 2308606479 OEOIORCNWSNDNA-RBJBARPLSA-N 314.198 3.381 10 10 DGCE CCCC1=NN(C)C(=O)C1=Cc1cccc(Br)c1 2332098043 RNPRMHQLYIQWLD-UHFFFAOYSA-N 307.191 3.461 10 10 DGCE CN(Cc1cc(Br)cc(F)c1O)C[C@H]1C[C@@H](F)C1 2327507150 BSBKWNKSILDDNU-DKTWLAJQSA-N 320.177 3.474 10 10 DGCE COc1ccc(C2=NN[C@H](c3ccc(N(C)C)cc3)S2)cc1 59517909 WPPQNVCBRUEAHQ-INIZCTEOSA-N 313.426 3.458 10 10 DGCE Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nccs1 52914328 YXYXBJFNSKODBY-SECBINFHSA-N 323.399 3.479 10 10 DGCE CCCc1nnsc1CN(C)c1ccc(CO)cc1Cl 2360893664 QBIYSXQLQBHYPD-UHFFFAOYSA-N 311.838 3.273 10 10 DGCE CC(C)NCc1ccc(N2C[C@H](C)[C@@H](N(C)C)C2)c(Cl)c1 124643660 PEZBLCPORUXIIK-GUYCJALGSA-N 309.885 3.224 10 10 DGCE Cc1ccc([C@H](C)N[C@@H](C)Cc2c(C)nn(C)c2C)c(O)c1 185559625 GQZXTGZTHYWXRZ-STQMWFEESA-N 301.434 3.333 10 10 DGCE C[C@H](NC1CCN(C(=O)c2ccccc2)CC1)c1ccccc1O 183455451 GTCRHFJINJXJFT-HNNXBMFYSA-N 324.424 3.348 10 10 DGCE COc1cc(C(=O)N(C)Cc2ccccc2O)sc1Cl 2365815312 LRGNBCYVTPSQHR-UHFFFAOYSA-N 311.790 3.388 10 10 DGCE COc1cc(OC)c(N2C[C@@H](C)NC[C@@H]2C(C)C)cc1Cl 225443760 SVIFKKFAKFJGCW-BXUZGUMPSA-N 312.841 3.180 10 10 DGCE COc1ccc(CN2CCOC3(CCCCCC3)C2)c(O)c1 93769262 RKDWCGWINXVHKC-UHFFFAOYSA-N 305.418 3.326 10 10 DGCE COCCCNC(=S)N(c1ccccc1)c1ccc(N)cc1 240817500 BCLBRMNXVKPEIJ-UHFFFAOYSA-N 315.442 3.318 10 10 DGCE CC(C)C[C@@H](C)NC(=O)/C=C\c1ccc(N2CCOCC2)cc1 255045734 QSSCQXBYPULDHD-CXOKCQFOSA-N 316.445 3.087 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CC[C@@H]2Oc1ccc(N)cc1 259760195 ZUSVTHGFLRYIPQ-XPKDYRNWSA-N 318.417 3.436 10 10 DGCE Cc1cc(Cl)cc(CN(C)C2C[C@@H]3CC[C@H](C2)N3C)c1O 289882283 WCNBIBGFESBSDC-XYPWUTKMSA-N 308.853 3.411 10 10 DGCE CO[C@@H](C)c1nsc(NCc2ccc(N(C)C)c(F)c2)n1 800848483 PLFJRJAASRMBDC-VIFPVBQESA-N 310.398 3.063 10 10 DGCE CCOc1cccc(CN2CCC(=O)Nc3ccccc32)c1O 291562778 NEQYMLKZLVJVBX-UHFFFAOYSA-N 312.369 3.140 10 10 DGCE C[C@@H](NC(=O)NC1(C2(C)CC2)CC1)c1ccc(N(C)C)cc1 838559150 KREYHGRXYUQMCT-CYBMUJFWSA-N 301.434 3.446 10 10 DGCE Cc1ccccc1[C@@H](O)CNC/C=C/c1ccc(N(C)C)cc1 835038471 ATZGVWGCRGRSCS-IEJURRBGSA-N 310.441 3.397 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)Nc2nncs2)cc1 915300569 OFYRUYDASXIPJU-UHFFFAOYSA-N 319.434 3.048 10 10 DGCE NCCN(CCc1ccccc1)Cc1cc(Cl)ccc1O 843123057 YPNMJHXQZYJYCZ-UHFFFAOYSA-N 304.821 3.049 10 10 DGCE CN(C)c1ccc(CN[C@@H](C2CC2)[C@@H]2CCCCO2)cc1F 848560623 OXMRIRCCUOYKJK-ROUUACIJSA-N 306.425 3.329 10 10 DGCE Cc1cccc(CN[C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)c1O 843436195 CPAYMNMBZZVMCH-DZGCQCFKSA-N 305.418 3.301 10 10 DGCE Cc1cc(O)c(CN(C)Cc2ncc(Cl)n2C)c(Cl)c1 840937579 RWLDERXXXOVXLJ-UHFFFAOYSA-N 314.216 3.373 10 10 DGCE CC[C@@H](OC1CCCCC1)C(=O)NCc1c(O)cccc1F 928706587 XSXYLEBEQUJHFF-MRXNPFEDSA-N 309.381 3.275 10 10 DGCE Cc1cc(CN2CCC3(COC3)C2)ccc1N1CCCCC1 852682975 DJNOBJVREWCFLN-UHFFFAOYSA-N 300.446 3.208 10 10 DGCE CN(C)c1cc(F)c(CN[C@H]2C[C@H](O)c3ccccc32)cc1F 858190007 XWWXVPBSJRNJDQ-WMZOPIPTSA-N 318.367 3.299 10 10 DGCE CN(Cc1ccccc1O)C(=O)NCC1C[C@@H]2CC[C@H](C1)S2 924302383 KEWDDRGZNXLJCD-LQDVMPOASA-N 320.458 3.208 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@@H](C)C3(OC)CCCC3)C2)cc1 850486722 JOCFBVAARFBPIT-JKSUJKDBSA-N 318.461 3.211 10 10 DGCE C[C@@]12CNC[C@]1(C)CN(Cc1ccc(N3CCCCC3)cc1)C2 863651835 NFZREWSRNOWHAW-BGYRXZFFSA-N 313.489 3.108 10 10 DGCE CCN(CC)c1ccc(CN(C)[C@@H]2CCN(C3CC3)C2)cc1F 769326405 LLXVBWJTYVCFMN-QGZVFWFLSA-N 319.468 3.340 10 10 DGCE CC[C@@H]1CN(Cc2cc3c(cc2O)CCC3)CCN1CC(F)F 765718116 WWNITSRGXWPHJG-MRXNPFEDSA-N 324.415 3.042 10 10 DGCE C[C@H](N[C@H](C)[C@H](O)C(F)(F)F)c1cc2c(cc1O)CCCC2 866463016 GKOPXZNQQBBSNR-WMFXKJRFSA-N 317.351 3.233 10 10 DGCE CC[C@@H]1CN(c2ccccc2)CCN1C(=O)c1cc(O)cs1 764484153 MIRVYGHFLVDEDI-CYBMUJFWSA-N 316.426 3.195 10 10 DGCE CCCN(CCC)c1ccc(CN2C[C@H]3C[C@@]3(CO)C2)cc1 783735862 UBXXJIGRWLIDDQ-MJGOQNOKSA-N 302.462 3.127 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)c2ccc3ccncc3c2)c1 1137473471 KKWQAHCOMFSTAK-LBPRGKRZSA-N 322.364 3.440 10 10 DGCE C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(N=NC(N)=O)cc1 1135997500 NAYOYTVGNCCZEI-LLVKDONJSA-N 308.341 3.440 10 10 DGCE CN(C)c1ccc(-c2nccn2Cc2ccc(CN)cc2)cc1 82735424 KZKYJGJMZWQLKY-UHFFFAOYSA-N 306.413 3.123 10 10 DGCE CCNCc1ccc(N2CC[C@@H](F)C2)cc1Br 689941613 SATMDPHOXJIKOL-LLVKDONJSA-N 301.203 3.107 10 10 DGCE COc1ccc(Br)c(NCc2cccc(O)c2O)c1 88317222 QOLVQJLESXPWDR-UHFFFAOYSA-N 324.174 3.481 10 10 DGCE Nc1ccc(CNC(=O)c2ccsc2Br)cc1 698556339 ULERIJNMBHCYGA-UHFFFAOYSA-N 311.204 3.023 10 10 DGCE COC(=O)[C@H](NCCCN=[N+]=[N-])c1ccc(Cl)cc1Cl 90259429 ABGQDOJYZMNBGE-LLVKDONJSA-N 317.176 3.498 10 10 DGCE CSc1cccnc1C(=O)NCc1cc(Cl)ccc1O 1300395771 DIZMMWVDMVRFEX-UHFFFAOYSA-N 308.790 3.093 10 10 DGCE COC(=O)/C=C\c1ccc(N2CC3CCC2CC3)c([N+](=O)[O-])c1 1320558008 UEEDBBJIPKIECC-UITAMQMPSA-N 316.357 3.160 10 10 DGCE CC[C@H](F)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1354113815 OKEMHOWVVZAKJQ-HNNXBMFYSA-N 311.312 3.149 10 10 DGCE c1cc(N2CCOCC2)ccc1CN[C@H]1C[C@H]2CC[C@H](C2)C1 1473956854 BEWMNOCWCDIRSI-BCDXTJNWSA-N 300.446 3.192 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)[C@@H]1CC[C@@H]2CCCCN21 1647794934 USUAYJIPOJFESX-YJBOKZPZSA-N 324.424 3.179 10 10 DGCE Cc1nc2ccc(C(=O)N[C@H](C)c3ccccc3O)cc2n1C 1587446864 ADKMVINIIQYSBS-LLVKDONJSA-N 309.369 3.078 10 10 DGCE Cn1ccc(C(=O)NCc2cccc(O)c2O)c1-c1ccccc1 1593744246 LSEVURIVCLALRL-UHFFFAOYSA-N 322.364 3.033 10 10 DGCE C[C@H](NC(=O)NCc1ccccc1O)[C@@H]1CC2CCC1CC2 1686933500 PJAXFHDPNDXESO-USPMSXPRSA-N 302.418 3.406 10 10 DGCE COC(=O)C1CCN(/N=N/c2ccc(OC)c(Cl)c2)CC1 1860481526 HBZUENIKRSQLHI-WUKNDPDISA-N 311.769 3.232 10 10 DGCE Nc1ccc(Cc2ccc(NC(=O)c3ccc(O)cn3)cc2)cc1 1865963563 WXSBNSCKNJWRFE-UHFFFAOYSA-N 319.364 3.213 10 10 DGCE CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)NCc1ccccc1O 1936096783 RHTAUNBSRXLZQT-CJNGLKHVSA-N 322.449 3.420 10 10 DGCE CCCN[C@](CO)(CSc1nccs1)CC1(C)CC1 2142903625 RKSXKRRSJVNYCQ-CQSZACIVSA-N 300.493 3.156 10 10 DGCE Oc1cc(Cl)ccc1CN[C@H]1CCCC2(CC1)OCCO2 1967795217 TTYZRUWXZJOPHP-AWEZNQCLSA-N 311.809 3.211 10 10 DGCE C[C@H]1CO[C@H](CN(C)Cc2cccc(Br)c2O)C1 1974413098 HNKXNXCFOHTCBF-PWSUYJOCSA-N 314.223 3.012 10 10 DGCE C[C@H]1C[C@H](NCc2c(O)cccc2F)CN1Cc1ccccc1 1976872308 FEYRZPGGKKVFDV-HOCLYGCPSA-N 314.404 3.284 10 10 DGCE CCN(CC)c1ccc([C@@H](CNC(=O)OC(C)(C)C)NC)cc1 1977942537 WGNQNLCZTIHFOE-MRXNPFEDSA-N 321.465 3.318 10 10 DGCE CCN1CCc2cc([C@H](O)[C@H](C)NC(=O)OC(C)(C)C)ccc21 1977939287 PAIBNFGJGXARDE-BLLLJJGKSA-N 320.433 3.016 10 10 DGCE CN[C@@H](C[C@H](C)NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1977946117 SYIPQZNFQIDDGQ-BBRMVZONSA-N 321.465 3.316 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2Nc1ccc(N)cc1 1978675696 FTEZQHLMRFVFFB-GUYJKWIASA-N 317.433 3.373 10 10 DGCE Cc1ccc(S(=O)(=O)N(C)[C@H](C)c2ccccc2O)s1 38089871 KWJDZGRUQZFMLH-LLVKDONJSA-N 311.428 3.144 10 10 DGCE CN1CCc2cc([C@H](O)[C@@H]3CCN(Cc4ccccc4)C3)ccc21 2015152685 HQFSAAQDTWXKDR-CTNGQTDRSA-N 322.452 3.234 10 10 DGCE CP(C)(=O)[C@@H]1CCCN(c2c(F)cc(CO)cc2F)C1 2159316048 KGYXPBZGUSUDNE-LLVKDONJSA-N 303.289 3.049 10 10 DGCE CN(C)c1ccncc1NCc1ccc(Br)cc1O 701059712 RZBQLZOTSPNLPQ-UHFFFAOYSA-N 322.206 3.228 10 10 DGCE C[C@@H](O)c1ccc(N(CCO)Cc2cccs2)c(Cl)c1 2171092426 NBPWKFLIWRBKPZ-LLVKDONJSA-N 311.834 3.454 10 10 DGCE C[C@@H](N)c1ccc(N2CC(C(F)F)C2)cc1Br 706438601 UOPIWTZMCSPGGG-SSDOTTSWSA-N 305.166 3.170 10 10 DGCE Oc1c(F)cc(Br)cc1CNC[C@@H]1C[C@H]1C1CC1 715719263 RHSXDNJKIKCXHA-CABZTGNLSA-N 314.198 3.430 10 10 DGCE Cc1ccc(O)c([C@@H](C)n2nccc2C(=O)OC(C)(C)C)c1 2069972891 JFJWAIPZZKUXGG-GFCCVEGCSA-N 302.374 3.462 10 10 DGCE CCc1nn(Cc2c(O)cccc2F)c(C(F)(F)F)c1C=O 2078863286 ZAJVKBAIUVRFDC-UHFFFAOYSA-N 316.254 3.170 10 10 DGCE CC[C@H](N[C@H](CF)COC)c1cc(Br)ccc1O 2053073842 SICVDGDSCHNUQV-PWSUYJOCSA-N 320.202 3.180 10 10 DGCE CO[C@H]1CC[C@@H]1CCNCc1ccc(Br)cc1O 2066826310 KIONFJBGZNXTEU-YGRLFVJLSA-N 314.223 3.059 10 10 DGCE NCC[C@@H]1CCC[C@@H](Nc2c(N)cccc2Br)C1 2071631055 JBNDAGOIIKRMDD-WDEREUQCSA-N 312.255 3.351 10 10 DGCE Cc1cccnc1CN(C)c1ccc(CO)cc1Br 2105383334 FVOQJBMLGKCVKN-UHFFFAOYSA-N 321.218 3.281 10 10 DGCE CN(Cc1ccc(N)cc1)Cc1ncsc1Br 2213775471 AKOXDCDOJHXWLK-UHFFFAOYSA-N 312.236 3.120 10 10 DGCE CN[C@H]1CCc2cc(N3CC(SC(F)(F)F)C3)ccc21 2237484393 KEZOAKWQNHVGDC-ZDUSSCGKSA-N 302.365 3.335 10 10 DGCE [N-]=[N+]=NCCCN1CCC[C@@H](NC(=O)OCc2ccccc2)C1 2242558667 VMAOSVAOUTTZSJ-OAHLLOKOSA-N 317.393 3.078 10 10 DGCE CC[C@@H](NC[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C)c1ccccc1O 2296639648 FQXYPOQJOFWXTQ-CFVMTHIKSA-N 320.433 3.346 10 10 DGCE CCC(=O)N1C(=O)C(=CC=Cc2ccccc2)SC1=S 2297532658 PLWZHJZRVIRBHC-UHFFFAOYSA-N 303.408 3.381 10 10 DGCE COc1cccc(CNC(=O)C=Cc2ccc(Cl)cc2)c1O 2301549613 RCRWLDJEJFFHCU-UHFFFAOYSA-N 317.772 3.384 10 10 DGCE Cc1nc(CNC(=O)C=Cc2ccc(N(C)C)cc2)sc1C 2320615725 RRSMPBSFBZLBLF-UHFFFAOYSA-N 315.442 3.156 10 10 DGCE CCCC(=O)Nc1ccc(O)c([C@@H](C)NCC(F)(F)F)c1 21812330 HUPBSHDSCXBJOU-SECBINFHSA-N 304.312 3.344 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)C(=O)Nc1cccc2cc[nH]c12 170026324 ULWNJCABWYXQGL-LLVKDONJSA-N 310.353 3.396 10 10 DGCE Nc1ccc(CCSc2nnc(C3CC3)n2C2CC2)cc1 35677438 IPFRGQXMJUSOPT-UHFFFAOYSA-N 300.431 3.407 10 10 DGCE CN(C(=O)CSc1ccc(F)cc1F)c1ccc(N)cc1 37285909 FORCYQMFVVZBEX-UHFFFAOYSA-N 308.353 3.302 10 10 DGCE C[C@@H](NCC[C@H]1CCCCO1)c1ccc(N2CCOCC2)cc1 180265909 QLLIWXYHIGNYNB-VQIMIIECSA-N 318.461 3.133 10 10 DGCE Nc1ccc(CN(CCCOCC(F)(F)F)C2CC2)cc1 49312632 YAZANLPEPHGMTB-UHFFFAOYSA-N 302.340 3.202 10 10 DGCE CC(C)(C)[C@@H](O)[C@@H](N)c1ccc(OCc2ccccc2)cc1O 95823887 XLFMCLGCYMCKLR-ROUUACIJSA-N 315.413 3.378 10 10 DGCE Cc1cc(CN(C)C(=O)Cc2ccc(N)cc2)sc1Cl 2165335107 LGPKGJUARUBAEZ-UHFFFAOYSA-N 308.834 3.493 10 10 DGCE CN(Cc1ccccc1O)Cc1ccccc1-c1ccnn1C 816492968 KMCORETZNIJHRZ-UHFFFAOYSA-N 307.397 3.425 10 10 DGCE C[C@@H]1[C@@H](NCc2ccc(N3CCC(CO)CC3)cc2)C[C@H]1C 813856166 XYCJGIJFIOIYPC-VCBZYWHSSA-N 302.462 3.029 10 10 DGCE Oc1c(F)cc(Cl)cc1[C@@H](C1CCCC1)N1CCNCC1 575285147 QURPKCRACZFDAE-OAHLLOKOSA-N 312.816 3.321 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)OC[C@]1(F)CCOC1 810925424 HFYZZQMLEOOCSK-INIZCTEOSA-N 323.389 3.441 10 10 DGCE C[C@H](Cc1ccco1)C(=O)NCc1ccc2c(c1)CCCN2C 824676263 HZJJVCNMIPZGTI-CQSZACIVSA-N 312.413 3.157 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@](C)(CO)c2ccccc2)cc1 835039085 GDWXKFGZLBORAT-WHXUGTBJSA-N 310.441 3.263 10 10 DGCE Fc1cc(-c2nc(C[C@@H]3CCCO3)no2)ccc1-n1cccc1 731796070 PVYZRAQXXMVVJQ-ZDUSSCGKSA-N 313.332 3.388 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)/C(F)=C(/C)C3CC3)C2)cc1 912292894 PYABIVVKOSHNDS-RFRKOGIWSA-N 318.392 3.044 10 10 DGCE CC[C@@H]1CN(Cc2c(O)cc(C)cc2Cl)C[C@@H](C)[S@]1=O 840948245 NKFWKVFMQUHATD-FKANQGBASA-N 315.866 3.085 10 10 DGCE COc1cc(C)c(CN2CCCc3cc(CN)ccc32)c(C)n1 843057639 GGQSXAAOEVRUMT-UHFFFAOYSA-N 311.429 3.119 10 10 DGCE O=C(NCc1c(O)cccc1F)N[C@H]1CCCc2sccc21 922014054 FIMZFUZRRVGEIK-ZDUSSCGKSA-N 320.389 3.470 10 10 DGCE C[C@H]1C[C@H](NCc2cc(F)c(N(C)C)cc2F)CCS1 922839320 SHJHOWQNYXDHKU-CMPLNLGQSA-N 300.418 3.405 10 10 DGCE CN(C)c1ccc(CN[C@H](C2CC2)[C@@H]2CCCOC2)cc1F 922899000 VLVJUQOEJDKLPN-CRAIPNDOSA-N 306.425 3.187 10 10 DGCE CCC(F)(F)C(C)(C)CNCc1cc([N+](=O)[O-])ccc1O 858121089 UMRCMALTFABENT-UHFFFAOYSA-N 302.321 3.462 10 10 DGCE C[C@H](N[C@H](c1ccccc1)[C@H](C)O)c1cc(F)cc(F)c1O 850583622 MSGLHRLTGUIBDV-MMPTUQATSA-N 307.340 3.443 10 10 DGCE COc1ccnc(CN[C@@H](C)c2ccc(Cl)cc2O)c1F 850537472 VQBPJBYKMDHHBW-VIFPVBQESA-N 310.756 3.439 10 10 DGCE COc1cccc(CNC(=O)Cc2c(C)cccc2Cl)c1O 754208783 WUZJSFJRULCTRA-UHFFFAOYSA-N 319.788 3.222 10 10 DGCE Oc1cccc(Cl)c1CN1CCCC[C@@H](N2CCCC2)C1 769232767 KZBBFBLSLRAEGG-CQSZACIVSA-N 308.853 3.496 10 10 DGCE CN(C)c1ccc(CNCC2CSC2)c(C(F)(F)F)c1 895422385 ZUZZSMHDPZWZEO-UHFFFAOYSA-N 304.381 3.224 10 10 DGCE CC(C)[C@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 896943169 DCPTZWYXXHMYGU-JTQLQIEISA-N 305.399 3.431 10 10 DGCE Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N(C)Cc1ccccc1O 1137345812 YWZXIYLYPSDFSR-UHFFFAOYSA-N 314.341 3.189 10 10 DGCE CCOc1ccc(O)c(CN[C@H](C)c2c(F)cncc2F)c1 796525657 DGEXCBRDTDAMIK-SNVBAGLBSA-N 308.328 3.315 10 10 DGCE COc1ccc(C(=O)NCc2cc(Cl)ccc2O)cc1C 1146248176 UKVSJXULNGQASH-UHFFFAOYSA-N 305.761 3.293 10 10 DGCE CS[C@@H]1CC[C@H]1NCc1c(O)cccc1Br 706824847 KNLQTKKAHFLJDG-ZYHUDNBSSA-N 302.237 3.138 10 10 DGCE CNC(=O)C[C@@H](N[C@@H](C)c1cc(C)ccc1O)c1ccccc1 795852695 RKCJWMSYDJJHOE-WMLDXEAASA-N 312.413 3.229 10 10 DGCE CC[C@H](C)CONC(=O)N(C)Cc1ccc(N2CCCC2)cc1 1312765452 NFDDCBJOBGQYJR-HNNXBMFYSA-N 319.449 3.406 10 10 DGCE O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CC[C@H]2C[C@@H]2C1 1329237117 RUACACGICQCSBH-GVDBMIGSSA-N 311.429 3.051 10 10 DGCE C[C@H]1C[C@@H](N(C)Cc2ccc(N3CCCC3)cc2)CCN1C 1324745706 FAKPBHBRIYQZLQ-LPHOPBHVSA-N 301.478 3.201 10 10 DGCE COc1ccc(Br)nc1OCCc1ccc(N)cc1 2128226916 FAZRAMQILRWORY-UHFFFAOYSA-N 323.190 3.056 10 10 DGCE CC(C)SCC(=O)N(C)Cc1ccc(N2CCCC2)cc1 1349106386 HUBLGQMAVAWYMP-UHFFFAOYSA-N 306.475 3.387 10 10 DGCE CCN(CC)c1ccc(CNC(=O)c2cccc(F)c2O)cc1 1354540654 IDJXSMNZVFNHAN-UHFFFAOYSA-N 316.376 3.308 10 10 DGCE CO[C@]1(CN[C@@H]2C[C@@H](C)c3c(C)ccc(O)c32)CCSC1 1350636501 PPBBRLGHFGBJLF-XNJGSVPQSA-N 307.459 3.361 10 10 DGCE O=C(O)C=Cc1ccc(N2C[C@@H]3CC[C@H]3C2)cc1Br 1911867718 YQEXECJQQAHMKV-RYUDHWBXSA-N 322.202 3.393 10 10 DGCE Cc1ccc(C(C)(C)CNC(=O)Cc2ccc(O)c(O)c2)cc1 1443406175 NFHXOHBOTOJELP-UHFFFAOYSA-N 313.397 3.043 10 10 DGCE Cc1nc(Cl)c(Cl)cc1C(=O)N1CC[C@H](N=[N+]=[N-])C1 1912169662 NIGOWZDTGCSSDS-ZETCQYMHSA-N 300.149 3.222 10 10 DGCE [N-]=[N+]=NC1CN(C(=O)c2ccc(SC(F)(F)F)cc2)C1 1912206788 IEXBVFXODGDLKL-UHFFFAOYSA-N 302.281 3.433 10 10 DGCE CCN(CC)c1ccc(CNC(=O)c2ccc(C)c(C)n2)cc1 1516598404 CNFJWLVGLUATOK-UHFFFAOYSA-N 311.429 3.475 10 10 DGCE COc1cccc(CNC(=O)[C@@H](C)c2ccc(Cl)cc2)c1O 1294924350 BDLVTHQGENARTM-NSHDSACASA-N 319.788 3.474 10 10 DGCE COC[C@@H](NCc1ccc(N(C)C)cc1)c1ccc(F)cc1 1459836177 MOKXPWOGKNMPCD-GOSISDBHSA-N 302.393 3.369 10 10 DGCE CNCc1ccc(N(C)Cc2cnn(Cc3ccccc3)c2)cc1 1915033619 KIWQQQZGALHAKP-UHFFFAOYSA-N 320.440 3.287 10 10 DGCE CCOc1ccc(N(CC)CCc2ccc(C(N)=O)cc2)cc1 1459741484 QKSKEVHPEJFFJU-UHFFFAOYSA-N 312.413 3.253 10 10 DGCE CN1N=C(C(F)(F)F)/C(=C/c2c(F)cccc2Cl)C1=O 1865664430 PJJOXBNLJZCMFR-ALCCZGGFSA-N 306.646 3.253 10 10 DGCE O=[N+]([O-])c1ccc(NCc2c(O)cccc2O)c2ccncc12 1612970150 UUJQEHIOCRHQQK-UHFFFAOYSA-N 311.297 3.166 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@@H]1CC12CCC2 1478841406 VTAKBDXIJMWPFX-RHSMWYFYSA-N 315.461 3.234 10 10 DGCE Cc1cccc(C(=O)NCc2cc(Cl)ccc2O)c1[N+](=O)[O-] 1639965667 OHLCQKPUNWFHDR-UHFFFAOYSA-N 320.732 3.192 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cscc1Cl 1632681707 UXUCVDYKUGFEBC-QMMMGPOBSA-N 311.790 3.174 10 10 DGCE Cc1cc(CN2CC[C@H](C)[C@@H](CO)C2)ccc1N1CCCCC1 1659535562 AMLRKDQUJCGBTR-QFBILLFUSA-N 316.489 3.436 10 10 DGCE CC(C)(C)n1ccc(C(=O)NCc2c(O)ccc3ccccc23)n1 1597743179 XTIGAIFEVUJUQQ-UHFFFAOYSA-N 323.396 3.427 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccccc2N)[C@@H](F)C1 1959369100 ZPKXXILCAKVRNK-AAEUAGOBSA-N 309.385 3.028 10 10 DGCE CCC1(CC)[C@@H](NC(=O)NCc2cc(C)ccc2O)C[C@H]1OC 1680882769 SIAGCMHQFXEBSP-JKSUJKDBSA-N 320.433 3.094 10 10 DGCE COC[C@@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(C)C 1681551017 BOOJHGHZEXKCBE-GOEBONIOSA-N 321.465 3.031 10 10 DGCE Cc1ccc(CN(C)Cc2ccc(N3CCOCC3)c(F)c2)o1 160858315 OFXRTQJBYPHCJT-UHFFFAOYSA-N 318.392 3.196 10 10 DGCE C[C@@H](NCc1ccnn1C)c1ccc(N2CCCCC2)c(F)c1 152177736 XOVFQALJZQMSBG-CQSZACIVSA-N 316.424 3.400 10 10 DGCE Cc1cc(=Nc2ccc([N+](=O)[O-])cc2O)[nH]c(-c2ccccc2)n1 1859857983 TZCKACCJVTXYHG-UHFFFAOYSA-N 322.324 3.231 10 10 DGCE COc1cc(NN=NCc2ccncc2)cc(OC)c1OC 1860493940 IVDOKMLZWZICBH-UHFFFAOYSA-N 302.334 3.087 10 10 DGCE O=[N+]([O-])c1cccc(NN=NCc2ccc3c(c2)OCO3)c1 1860494645 BXEXQGOGUBOWBH-UHFFFAOYSA-N 300.274 3.303 10 10 DGCE C[C@@H]1CN(CCCN=[N+]=[N-])C[C@]1(C)CNC(=O)OC(C)(C)C 1962304968 PYWVJKYRCGLLHH-DOMZBBRYSA-N 311.430 3.170 10 10 DGCE CCCN[C@](CSc1nccs1)(C(=O)O)C(C)(C)C 2142819596 OYWUCTJHOFVRGE-CYBMUJFWSA-N 302.465 3.104 10 10 DGCE C[C@H](O)CN(Cc1ccccc1)c1c(F)cc([C@@H](C)N)cc1F 1990441547 BSZBBBBTWUANIL-QWHCGFSZSA-N 320.383 3.372 10 10 DGCE O[C@@H]1CCc2cc(N3CCCN(Cc4ccccc4)CC3)ccc21 2012707368 SICNUWHAGYDFJC-OAQYLSRUSA-N 322.452 3.379 10 10 DGCE Cc1ccc(CNC2[C@H]3C[C@H]2CN(Cc2ccccc2)C3)c(O)c1 2024807965 MSYKZGDPVOPDJF-OALUTQOASA-N 322.452 3.311 10 10 DGCE Nc1cccc(Br)c1N[C@H]1COC[C@@H]1CC1CC1 2040330496 PSPCQHLEHBIZJP-GWCFXTLKSA-N 311.223 3.258 10 10 DGCE CO[C@@H]1CCC[C@@H]1N(C)Cc1cccc(Br)c1O 687460533 NBNSLEJOAYQJMG-QWHCGFSZSA-N 314.223 3.154 10 10 DGCE C[C@@H]1CCN(c2ccc([C@@H](C)O)cc2Br)CCO1 720416792 WUOXAGOJFJDEEG-GHMZBOCLSA-N 314.223 3.118 10 10 DGCE C[C@H](NCc1cnn(Cc2ccccc2)c1)c1ccc(O)cc1O 390417252 NAZDAZCSLMNUPH-AWEZNQCLSA-N 323.396 3.193 10 10 DGCE COc1ccc(Cn2nc(C(C)C)c(C3CC3)c2N)c(O)c1 2079737582 VZJZSCURIQGOOH-UHFFFAOYSA-N 301.390 3.229 10 10 DGCE CN(Cc1ccccc1O)c1ccc(C(N)=S)cc1Cl 2192566836 KKYFFWVMILIPSH-UHFFFAOYSA-N 306.818 3.316 10 10 DGCE CC[C@@H](COC)N(C)c1ccc(CNC)cc1Br 2047305902 FFRMIVKETJOONA-LBPRGKRZSA-N 315.255 3.030 10 10 DGCE CN(CC1(O)CCCCC1)c1cc(Cl)c(CN)cc1F 2185950647 RJEFPHZNSRRCCP-UHFFFAOYSA-N 300.805 3.069 10 10 DGCE CSc1ncc(CN2C[C@@H]3CCCN3C[C@H]2C(C)C)s1 2284675609 BTCABXGKDHEYQU-JSGCOSHPSA-N 311.520 3.170 10 10 DGCE O=C1C(=Cc2cccs2)SC(=S)N1CN1CCCCC1 2297554340 ZEIKYPLXXPQQBF-UHFFFAOYSA-N 324.496 3.393 10 10 DGCE Cc1cccc([C@@H](C)CNC(=O)C=Cc2ccc(O)c(O)c2)c1 2308001595 WNGGNDWYJLGINM-AWEZNQCLSA-N 311.381 3.339 10 10 DGCE Cc1cc(Br)c(CN2CCC(N=[N+]=[N-])CC2)cn1 2315997000 BLLFYHAFKZCHIC-UHFFFAOYSA-N 310.199 3.427 10 10 DGCE Cc1ccc(CNC(=O)CC2CCC2)c(O)c1Br 2327587008 TZNARMZUOVAQGL-UHFFFAOYSA-N 312.207 3.270 10 10 DGCE COc1ccc(O)c([C@@H]2Nc3ccccc3C(=O)N2C2CC2)c1 69055658 PEMGZIQUWCBADY-QGZVFWFLSA-N 310.353 3.130 10 10 DGCE COC(=O)[C@@](C)(NCCN=[N+]=[N-])c1ccc(Cl)cc1Cl 90256824 DFLBZSICROZVJC-LBPRGKRZSA-N 317.176 3.282 10 10 DGCE CC(C)=C(F)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 136266876 TTXXJCLNPRXFDI-CQSZACIVSA-N 307.365 3.163 10 10 DGCE C[C@H](N[C@H](C)[C@@H]1CCCO1)c1ccc(Br)cc1O 185001525 TYKFUNCFYBWHAH-RBZYPMLTSA-N 314.223 3.373 10 10 DGCE Cc1ccc(-n2cnnn2)cc1N[C@@H](C)c1ccc(N(C)C)cc1 192992768 GWGVRHUONHJZSS-AWEZNQCLSA-N 322.416 3.210 10 10 DGCE Cc1ccc([C@@H](C)NC2CC(NC(=O)OC(C)(C)C)C2)c(O)c1 227578563 NNJPZCPEANYKPA-IYXRBSQSSA-N 320.433 3.407 10 10 DGCE CCCOc1ccc(CN(C)C[C@@H]2CCCC[C@H]2O)c(O)c1 246005639 SIRLOAJTVBIJOS-WMLDXEAASA-N 307.434 3.164 10 10 DGCE CCN(CC)c1ccc(CN[C@@H]2CCN(C)[C@@H](C)C2)cc1F 246069856 DWQDAIPIKVNASQ-GOEBONIOSA-N 307.457 3.244 10 10 DGCE NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(O)cc1)N2 250232716 BREQWFTZQOFGJT-RKVPGOIHSA-N 306.365 3.318 10 10 DGCE C[C@@](O)(CNCc1cc(Cl)c(F)cc1O)c1cccs1 293547775 GSPBSOWXAZFXEK-CQSZACIVSA-N 315.797 3.244 10 10 DGCE Nc1cccc(F)c1NC1[C@H]2C[C@H]1CN(Cc1ccccc1)C2 399650239 IKKGXOWPBKZIFD-GJZGRUSLSA-N 311.404 3.340 10 10 DGCE COC[C@H](C)CN(C)Cc1cc(Br)cc(F)c1O 715724690 KQSNBTDMRYDORI-SECBINFHSA-N 320.202 3.008 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=S)NCc1ccccc1 734384372 INFAZRQNCRXPII-UHFFFAOYSA-N 313.470 3.225 10 10 DGCE CN(C)c1ccc(CN(c2ccc([N+](=O)[O-])nc2)C2CC2)cc1 735487215 SKLWGQXRUFDZJW-UHFFFAOYSA-N 312.373 3.225 10 10 DGCE COC(=O)C[C@@H](C)OC(=O)c1sccc1-n1c(C)ccc1C 760318282 KNTXCOFZBSTHME-GFCCVEGCSA-N 321.398 3.264 10 10 DGCE CN1CCN(c2ccc(CN(C)C3(C)CCCC3)cc2)CC1 787337840 RDXGKARCWUWFNU-UHFFFAOYSA-N 301.478 3.203 10 10 DGCE Cc1ccncc1CN(C)Cc1cc(Cl)cc([N+](=O)[O-])c1O 793342359 ZKOMFYGNELLJJF-UHFFFAOYSA-N 321.764 3.289 10 10 DGCE Cc1cc(Br)cc(CN[C@H](C)c2nccn2C)c1O 827722825 WRNDFHFDEJKCMG-SNVBAGLBSA-N 324.222 3.047 10 10 DGCE CCO[C@@H]1C[C@@H](NCc2ccc(N(C)C)c(C)c2)[C@@H]1SC 830455721 OEPJSUXFKZMIGB-OIISXLGYSA-N 308.491 3.060 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCC(c3ncc[nH]3)CC2)cc1 835029327 WPBVOLOFWNDCDX-ARJAWSKDSA-N 310.445 3.369 10 10 DGCE CO[C@H](COC(=O)/C=C\c1ccc(O)c(O)c1)C1CCCCC1 849745221 MOOIRZDUCYFZPG-SECOEOQKSA-N 320.385 3.250 10 10 DGCE Fc1cc(CN[C@@H]2CCCSCC2)ccc1N1CCOCC1 850424456 KJQUSXXITCYBPB-OAHLLOKOSA-N 324.465 3.038 10 10 DGCE COc1ccc(N2CC[C@@H](Nc3nc(C4CC4)ns3)C2)cc1 853758696 JIXOECAFNLVDES-GFCCVEGCSA-N 316.430 3.115 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)C1CC2(C1)CC2(F)F 854324872 RYKUORJURNQUDX-UHFFFAOYSA-N 308.372 3.146 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)[C@H]3C[C@@]3(C)C(C)C)C2)cc1 855225526 KANXRFCCHQHFQD-YJLNNSPDSA-N 316.445 3.072 10 10 DGCE Cn1ccc(C2CCN(Cc3c(O)ccc4ccncc34)CC2)n1 905719786 LKHIOWHDEQAPSU-UHFFFAOYSA-N 322.412 3.054 10 10 DGCE C[C@@H](NC(=O)N[C@H]1CCCc2cccnc21)c1ccccc1O 927397435 RORCHXWGMXAIDT-DOMZBBRYSA-N 311.385 3.225 10 10 DGCE C[C@H]1CC[C@H](C)N(Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 1116444985 KPTWBHNDRFFBDG-HOTGVXAUSA-N 319.468 3.198 10 10 DGCE CCc1nc(CN2C[C@H](C(C)C)Cc3cc(OC)ccc32)n[nH]1 1195321857 BDSZHLNUARSLEJ-CQSZACIVSA-N 314.433 3.211 10 10 DGCE COc1ccc(CN[C@H](C)CN(C)C(=O)C2=CCCC2)cc1C 1283594779 NPFHJRGTXSWMGX-OAHLLOKOSA-N 316.445 3.050 10 10 DGCE CC[C@H](C)C(=O)NC[C@@H](CC)NCc1ccc(OC)c(C)c1 1318503128 OHJNFAIXIUSEJY-XJKSGUPXSA-N 306.450 3.034 10 10 DGCE COc1ccc(CNCC[C@H](C)NC(=O)CC(C)C)cc1C 1320333219 OQQAQNBKTHWKSX-HNNXBMFYSA-N 306.450 3.034 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)/C(C)=C\c2ccccn2)c1 1445971229 ULDSCMFVZAYXMD-KXXVWKPMSA-N 312.369 3.077 10 10 DGCE COc1ccc(CNC(=O)C/C=C/Cc2ccccc2)c(O)c1 1467469485 ACAADOFOUZZHOB-AATRIKPKSA-N 311.381 3.206 10 10 DGCE Cn1cc(/C=C/C(=O)N2CCCc3ccc(F)c(Cl)c32)cn1 1530376948 DUTOTDUPVLUHAS-QPJJXVBHSA-N 319.767 3.205 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H](C2CCC2)CC1 1558058368 OIDVVHFFQUBMLK-OAHLLOKOSA-N 303.402 3.069 10 10 DGCE Cc1cc(C(=O)NC[C@@]23CCC[C@@H]2C3)c(C)n1-c1ccccn1 1646209250 OIYALSJQPMXEPP-BEFAXECRSA-N 309.413 3.409 10 10 DGCE COc1ccc(CN[C@H](C)CNC(=O)CC(C)(C)C)cc1C 1690553551 YOCQEDKZOVFDPL-CQSZACIVSA-N 306.450 3.034 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CC3(C2)CC3(F)F)c1O 1914519997 DSZMPQOXRVUTIU-UHFFFAOYSA-N 301.720 3.089 10 10 DGCE Cc1ccc([C@H](C)NOCCCNC(=O)OC(C)(C)C)c(O)c1 1937012012 NGPDGRRAYBIJOC-ZDUSSCGKSA-N 324.421 3.198 10 10 DGCE CN(Cc1sncc1Br)c1ccc(CN)cc1 1940363490 LMYIRYSRHGWNHO-UHFFFAOYSA-N 312.236 3.001 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1[C@H](COc2ccc(N)cc2)C1(C)C 1952925312 OGPXGTNMXQANMP-KBPBESRZSA-N 306.406 3.197 10 10 DGCE C[C@@H](NCc1cc(Br)cc(F)c1O)c1ncco1 1962966649 ABRSAESKXJFDIE-SSDOTTSWSA-N 315.142 3.133 10 10 DGCE C[C@@H](N[C@@H]1CCCC2(CC1)OCCO2)c1cc(F)ccc1O 1967526357 WYRBRTHVLWDHNR-TZMCWYRMSA-N 309.381 3.258 10 10 DGCE COc1ccc(Br)c(CN[C@H]2C[C@@H]3C[C@@H]3C2)c1O 1967754084 ZKVLJLLODGJDPH-ILWJIGKKSA-N 312.207 3.051 10 10 DGCE CC(C)(C)OC(=O)NC[C@]1(C)CCN(Cc2ccc(N)cc2)C1 1977926684 OEVUWMJZUKUUSA-SFHVURJKSA-N 319.449 3.006 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(COc2ccc(N)cc2)C1 1992516077 WNGVBJMHCUWPCT-ACJLOTCBSA-N 318.417 3.295 10 10 DGCE C[C@H](Nc1c(Br)cnn1C)c1cc(F)ccc1O 2038255606 PSHGRWNZAXHYCY-ZETCQYMHSA-N 314.158 3.200 10 10 DGCE Cc1nc(C=C2SC(=S)N(c3cccnc3)C2=O)cs1 2040446702 KGVWVJYABHYFQX-UHFFFAOYSA-N 319.436 3.252 10 10 DGCE C[C@@H](O)c1ccc(N(C)Cc2cocn2)cc1Br 2042267332 UJFFVTTYPHCDDQ-SECBINFHSA-N 311.179 3.127 10 10 DGCE CNCc1ccc(N2CCC(F)(F)[C@H]2C)c(Br)c1 2051995173 FBSHPTWWLYRWLC-SECBINFHSA-N 319.193 3.402 10 10 DGCE CCO[C@H](CNCc1ccc(Br)cc1O)C(C)C 2068089557 GVAOZKWLBPXPKG-CQSZACIVSA-N 316.239 3.305 10 10 DGCE C[C@@H]1c2cccn2CCN1c1ccc(CO)cc1Br 2114548958 IPODOALLQJWRDE-LLVKDONJSA-N 321.218 3.324 10 10 DGCE Oc1cc(Cl)ccc1CN[C@@]1(C(F)(F)F)CCCOC1 2179876199 UJFDRYKIJCFGIQ-LBPRGKRZSA-N 309.715 3.247 10 10 DGCE CSCC1(C)CN(c2ccc(CO)cc2C(F)(F)F)C1 2182731470 MGQKVQPSEPHWGL-UHFFFAOYSA-N 305.365 3.387 10 10 DGCE CCN[C@@H](c1ccc2c(c1)CCN2C)c1nc(Cl)cs1 2196950725 GVBCFQVEOXFCRL-AWEZNQCLSA-N 307.850 3.488 10 10 DGCE CSc1ncc(CNCc2cc([N+](=O)[O-])ccc2F)s1 2284637741 DQYRNULLROUROY-UHFFFAOYSA-N 313.379 3.202 10 10 DGCE CC(C)(C)C1CCN(C(=O)C=Cc2ccc(O)c(O)c2)CC1 2308001545 SAFUQQXELYKLIU-UHFFFAOYSA-N 303.402 3.396 10 10 DGCE CC1C[C@@H]2C(=O)N(c3c(Cl)cc(N)cc3Cl)C(=O)[C@H]2C1 2353865805 BJNICLHIHVANOK-IUCAKERBSA-N 313.184 3.111 10 10 DGCE CC1(CNCc2cc(OC(F)(F)F)ccc2O)CSC1 2361044879 FTRPWKVZNWQABX-UHFFFAOYSA-N 307.337 3.134 10 10 DGCE Cn1nc(C(F)F)c(CNC2CC2)c1Sc1nccs1 2365248631 PDTSENQTUKNOHH-UHFFFAOYSA-N 316.402 3.217 10 10 DGCE Cc1ccc(C)c([S@@](=O)CCCOc2ccc(N)cc2)c1 40962646 IWBHMOHZZBZBAH-OAQYLSRUSA-N 303.427 3.462 10 10 DGCE COC(=O)/C=C/c1ccc(N2CCC(C)(C)C2)c([N+](=O)[O-])c1 78561947 YEUBUECSDKPPAY-FNORWQNLSA-N 304.346 3.017 10 10 DGCE COC1CCN([C@@H](C)c2cc(Br)ccc2O)CC1 132143452 CFTNIWRDQOAMRW-JTQLQIEISA-N 314.223 3.327 10 10 DGCE Cc1ncc(/C=C/C(=O)N(C)c2cccc([N+](=O)[O-])c2)s1 158113855 HHSIYGOUDMADOE-VOTSOKGWSA-N 303.343 3.036 10 10 DGCE CCN(CCCNCc1cc(C)ccc1O)C(=O)OC(C)(C)C 226647672 YZMGVDLYIWFGNT-UHFFFAOYSA-N 322.449 3.437 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1C[C@H]1C1CCCCC1 248511060 ASUOVYSDXSYANX-KCXAZCMYSA-N 317.429 3.361 10 10 DGCE C[C@@H](Cn1cncn1)N[C@@H](C)c1cc(Cl)c(Cl)cc1O 278741502 NIFMDUILEYPTSA-IUCAKERBSA-N 315.204 3.030 10 10 DGCE C[C@H]1[C@@H](NCc2cccc(F)c2O)CCN1Cc1ccccc1 309911668 SDFTUSDCOLVHOI-KSSFIOAISA-N 314.404 3.284 10 10 DGCE Cc1ccc(C(=O)N2CC[C@](C)(c3ccccc3)C2)c(O)c1O 371579414 JZDWJNPCLIHAMM-IBGZPJMESA-N 311.381 3.210 10 10 DGCE C[C@@H](N)c1ccc(N2CC[C@@H](OCc3ccccc3)C2)cc1O 384110361 IAWMLUVFPFQDJC-RHSMWYFYSA-N 312.413 3.207 10 10 DGCE C[C@@H]1O[C@H](C)[C@@H](NCc2cc(Br)ccc2O)[C@H]1C 527805149 UIDKIXOQLDXLQB-RZGXBDKHSA-N 314.223 3.056 10 10 DGCE C[C@H]1CCCN(C(=O)c2ccnc3c2CC(=O)N3)c2ccccc21 613488841 QXEYNSQMNBLLLI-LBPRGKRZSA-N 321.380 3.120 10 10 DGCE C[C@@H](N)c1ccc(N(C)C(C)(C)CCO)c(Br)c1 688348983 XOOKRODVIDNRFX-SNVBAGLBSA-N 315.255 3.066 10 10 DGCE C[C@@H](O)c1ccc(N2CCO[C@@H](C(F)(F)F)C2)cc1Cl 698774638 RXKZYFONGRDXFB-PRHODGIISA-N 309.715 3.161 10 10 DGCE CSCC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 742417045 QNHRPUJRGCIIFW-UHFFFAOYSA-N 306.475 3.435 10 10 DGCE Cc1ccc(O)c([C@@H](C)NC2CCN(C(=O)OC(C)C)CC2)c1 756707037 KEIXGGOYDKBBBA-CQSZACIVSA-N 320.433 3.361 10 10 DGCE CS[C@@H]1CC[C@H]1N[C@@H](C)c1ccc(N2CCOCC2)cc1 766603055 MDJIYMHIRLLKTJ-IAOVAPTHSA-N 306.475 3.068 10 10 DGCE Cc1cc(Br)c(O)c(CN2CCCO[C@H](C)C2)c1 781907422 HYFUXQBGGWAOJH-LLVKDONJSA-N 314.223 3.074 10 10 DGCE Cn1c(O)nc2ccc(NCc3cc(Cl)cc(F)c3O)cc21 799739704 AQKGXKULSVEMFD-UHFFFAOYSA-N 321.739 3.389 10 10 DGCE Cc1cc(O)c(CN2CCC3(C2)Oc2ccccc2O3)cc1C 808238903 PPSLVLUPRHWTCO-UHFFFAOYSA-N 311.381 3.382 10 10 DGCE Cc1c[nH]c2c(C)cccc2c1=NCCc1ccc(O)c(O)c1 811811130 MJHRLYYPDGXWIG-UHFFFAOYSA-N 308.381 3.339 10 10 DGCE C[C@H](N[C@@H]1CCOC[C@H]1C)c1cccc(C(F)(F)F)c1O 815621570 XPAPSGYRVDIIBG-GBIKHYSHSA-N 303.324 3.487 10 10 DGCE C[C@H](N[C@@H]1CCNC[C@@H]1C)c1cccc(C(F)(F)F)c1O 817969929 IIMHSOVRTIMHRF-OUJBWJOFSA-N 302.340 3.060 10 10 DGCE CC[C@@H]1C[C@H](NCc2ccc(Br)cc2O)CCO1 826130727 LWQALGGVNSRJCB-CHWSQXEVSA-N 314.223 3.202 10 10 DGCE COC[C@@H](C)n1ccc(NC/C=C/c2ccc(N(C)C)cc2)n1 835047189 ZZSZCTDNJZKLNO-LLYBFZRZSA-N 314.433 3.282 10 10 DGCE Cc1cc(O)c(CNCC2(C(=O)N(C)C)CCCC2)c(Cl)c1 840898401 IFRCRWDBTBBYTN-UHFFFAOYSA-N 324.852 3.092 10 10 DGCE CCC[C@@H](NC(=O)C(=O)Nc1ccc(N)cc1)C1CCCCC1 841028260 NVKZNPPMQWFZFD-MRXNPFEDSA-N 317.433 3.073 10 10 DGCE CCOc1ccc(O)c(CN[C@@H](CO)CC2CCCCC2)c1 841893176 FWFVKXBIRDVULK-MRXNPFEDSA-N 307.434 3.212 10 10 DGCE COc1ccc(N2CC[C@H](CN[C@H]3CC[C@@H](C)SC3)C2)cc1 848553343 LYAMLADAAYXWQV-OAGGEKHMSA-N 320.502 3.395 10 10 DGCE COc1ccc(N2CC[C@H](NCc3ccc(F)cc3F)C2)cc1 850345600 FVSUVICFHBGTCG-HNNXBMFYSA-N 318.367 3.342 10 10 DGCE Cc1cc(O)c(CN[C@H]2CCC[C@@H]2Cc2cnn(C)c2)cc1C 850384866 SFRWYEAGBAEOGG-AEFFLSMTSA-N 313.445 3.244 10 10 DGCE CCN(CC)c1ccc(CNCCc2cncc(C)n2)cc1F 850390365 GDBZSCYSGLXRBN-UHFFFAOYSA-N 316.424 3.103 10 10 DGCE COC(=O)c1ccc(O)c([C@@H](C)NC[C@@H](C)c2ccccn2)c1 850483270 VQRQDSLQUIOJOI-CHWSQXEVSA-N 314.385 3.028 10 10 DGCE CC(=O)c1cc(F)cc(CN[C@@]2(CO)CCCC(C)(C)C2)c1O 859616888 SQSYPZAZPNGQJK-SFHVURJKSA-N 323.408 3.155 10 10 DGCE c1csc(SCCCN[C@@H](C2CC2)[C@@H]2CCCOC2)n1 925104379 YDTVHJGDGQTSQL-KGLIPLIRSA-N 312.504 3.420 10 10 DGCE C[C@@H]1CNC[C@H]1CN[C@H](C)c1ccc(Cl)c(Cl)c1O 925785882 PTIUVMWUSHZJKW-BBBLOLIVSA-N 303.233 3.205 10 10 DGCE CCCCn1ncc(NC(=O)N2Cc3cccc(O)c3C2)c1C 930482678 NTKBNWDYJIOEFE-UHFFFAOYSA-N 314.389 3.245 10 10 DGCE CCN(C)c1nnc(C2CC2)n1CCCSc1nccs1 1295108419 GRYYXMODSWJJTN-UHFFFAOYSA-N 323.491 3.251 10 10 DGCE C[C@H](CC(=O)Nc1c(Cl)ccc2nonc12)[C@@H]1CCCO1 1328696914 HSLWVMADLAFPSN-KCJUWKMLSA-N 309.753 3.020 10 10 DGCE CN(C)c1ccc(CNC(=O)[C@@H]2Cc3ccc(Cl)cc32)cc1 1352215024 IGDOMEVTLBJZEJ-QGZVFWFLSA-N 314.816 3.362 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@H]1c1ccc(Cl)cc1 1623755844 YOLLCSQNANTOMK-AWEZNQCLSA-N 317.772 3.267 10 10 DGCE Cc1nc(-c2ccc(NC(=O)Cc3ccc(O)c(O)c3)cc2)co1 1640913508 DZXNRPRTODERGC-UHFFFAOYSA-N 324.336 3.242 10 10 DGCE COC(=O)c1ccc(CN[C@@H](C)c2ccccc2O)cc1F 1648054642 YQSNTZYUAVZTMV-NSHDSACASA-N 303.333 3.169 10 10 DGCE CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)c1cc(O)cs1 1648529200 HABZJJZSDFXOPJ-UHFFFAOYSA-N 313.382 3.116 10 10 DGCE O=C(NCc1cccc(O)c1O)c1cc2ccc(F)cc2s1 1651172937 LIYLPVCETILKAI-UHFFFAOYSA-N 317.341 3.382 10 10 DGCE CNCc1ccc(N2CC[C@](C)(F)C2)c(Br)c1 1946951808 XIVIINCGBJLFAZ-ZDUSSCGKSA-N 301.203 3.107 10 10 DGCE [N-]=[N+]=N[C@@H](CO)c1cc(Br)c(Br)o1 1951368699 RYFRRIMARBHZDB-BYPYZUCNSA-N 310.933 3.148 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CN(CCN=[N+]=[N-])CC2(CCC2)C1 1962302617 AVOIYQWBRFEAMI-GFCCVEGCSA-N 309.414 3.066 10 10 DGCE C[C@@H]1OCC[C@@H]1CCNCc1cccc(Br)c1O 1972146601 QFQOYJNIMHVNDO-QWRGUYRKSA-N 314.223 3.059 10 10 DGCE C[C@@H](NCc1cccc(Br)c1O)c1cnsc1 1998189653 PXCZIZCTFZRPNE-MRVPVSSYSA-N 313.220 3.462 10 10 DGCE CC[C@](C)(COC)NCc1c(O)cccc1Br 2014276208 WRDZVBXFXITUFI-CYBMUJFWSA-N 302.212 3.059 10 10 DGCE CCOC(=O)c1cc(CC(C)C)nn1Cc1c(C)cccc1O 2069959517 BHEQXIJUZWGGAQ-UHFFFAOYSA-N 316.401 3.321 10 10 DGCE COC(=O)c1cc(C2CC2)nn1[C@H](C)c1cc(C)c(C)cc1O 2069960644 XSHWIHFBUMLYMX-GFCCVEGCSA-N 314.385 3.479 10 10 DGCE C[C@H](NCc1cc(Cl)cc(Cl)c1O)c1nncs1 2077145632 VDTVABFCOFJJQW-LURJTMIESA-N 304.202 3.401 10 10 DGCE CCNCc1ccc(N2CC(SC)C2)c(C(F)(F)F)c1 2153906532 GZSXOGUVBHSCBD-UHFFFAOYSA-N 304.381 3.367 10 10 DGCE CN(CCC(F)(F)C(F)(F)F)c1ccc(CN)c(F)c1 2166706951 HXQAXUJZRLXSHD-UHFFFAOYSA-N 300.246 3.308 10 10 DGCE CNCc1ccc(N(C)Cc2c(Cl)ncn2C)c(Cl)c1 2168143873 XXOACRVHBIVERX-UHFFFAOYSA-N 313.232 3.083 10 10 DGCE COC(=O)[C@](N)(CSc1nccs1)C1CCCCCC1 2208176762 SMQCZUMBBNEIQE-AWEZNQCLSA-N 314.476 3.076 10 10 DGCE COc1ccc(Br)c(CNC[C@@]2(C)C[C@@H]2C)c1O 2220462727 QELZBIRSEPVEOO-LKFCYVNXSA-N 314.223 3.299 10 10 DGCE Nc1ccc(CNC(=O)Cc2cc(Cl)cc(Cl)c2)cc1 2240912544 ZCNVUIGKWYMMFI-UHFFFAOYSA-N 309.196 3.435 10 10 DGCE CC(C)[C@@H](C)OC(=O)C=Cc1ccc(N2CCOCC2)cc1 2300142179 UWUIWKKWSCTSQX-OAHLLOKOSA-N 303.402 3.124 10 10 DGCE COc1cccc(CNC(=O)C=Cc2cc3ccccc3o2)c1O 2301549618 TXRBKFCWPYENKY-UHFFFAOYSA-N 323.348 3.477 10 10 DGCE CCCCC(=O)NCc1ccc(C)c(Br)c1O 2307455626 STMQAFVHJNSCRO-UHFFFAOYSA-N 300.196 3.270 10 10 DGCE [N-]=[N+]=NCC1CCN(C(=O)c2cc(Br)ccn2)CC1 2336288543 ZYZMXHMJGCOWIU-UHFFFAOYSA-N 324.182 3.007 10 10 DGCE Cc1ccc(CN(C)Cc2cccnc2)c(O)c1Br 2352947874 VYFOKHIACIJSOZ-UHFFFAOYSA-N 321.218 3.490 10 10 DGCE CSc1ncc(CN[C@]2(C(=O)O)CCC[C@H](C)CC2)s1 2374453397 AXVRRQCOLHPZOC-IINYFYTJSA-N 314.476 3.378 10 10 DGCE CC1=NNC(=O)/C1=C/c1ccc2noc(-c3ccccc3)c2c1 110567223 XJKIXIAJCRLAPY-NTEUORMPSA-N 303.321 3.384 10 10 DGCE COc1ccc(O)c(CNC(=O)[C@@H]2C[C@H]2C2CCCCC2)c1 173580795 CFYDADAEPRJJQE-JKSUJKDBSA-N 303.402 3.233 10 10 DGCE C[C@H](N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(O)cc1O 302872799 UMGZTJNHTZZUCH-GOEBONIOSA-N 312.413 3.023 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)NC[C@H](C)N(CC)CC 66699453 DVWXOTXFCPEWKI-HNNXBMFYSA-N 321.465 3.044 10 10 DGCE CC(C)NCc1ccc(N2C[C@H]3[C@@H](O)CC[C@H]3C2)c(Cl)c1 124040154 TWRLUBYMBBNMLH-VBQJREDUSA-N 308.853 3.045 10 10 DGCE CCOc1cccc(CNc2cccc3c2OCC[C@H]3O)c1O 184088241 JOZBVGOKUAAWKS-OAHLLOKOSA-N 315.369 3.219 10 10 DGCE CCC(CC)N(CC(F)(F)F)C(=O)Cc1ccc(N)cc1 37814375 BEQWXSHUKBKRTR-UHFFFAOYSA-N 302.340 3.391 10 10 DGCE Cc1nnnn1-c1cccc(N[C@@H](C)c2ccc(N(C)C)cc2)c1 193012408 YHVMSEMRFUUPBG-ZDUSSCGKSA-N 322.416 3.210 10 10 DGCE Cc1cnc(-c2cccc(NC(=O)c3cccc(O)c3O)c2)o1 365099538 MEYHVBJYQBPVBX-UHFFFAOYSA-N 310.309 3.314 10 10 DGCE Cc1cc(Cl)cc([C@H](C)NCC[C@H](C)[S@](C)=O)c1O 808706795 VCDXELMWIKGAAT-ADWYPQAOSA-N 303.855 3.162 10 10 DGCE C[C@@H]1CO[C@@H](C(F)(F)F)CN1Cc1cccc(Cl)c1O 809697120 WNQKVXYDCKATNB-LDYMZIIASA-N 309.715 3.197 10 10 DGCE CC(C)(C)[C@H]1CC[C@@H]1NCc1ccc(N2CCOCC2)cc1 806134151 VAUWVVXQOWUEHV-ROUUACIJSA-N 302.462 3.438 10 10 DGCE OC[C@@H]1C[C@H]2CC[C@H]1N2Cc1cc(Cl)cc(Cl)c1O 290372367 AQEFWODXCMZQML-UFGOTCBOSA-N 302.201 3.044 10 10 DGCE CN(CC1CC1)c1ccc(/C=C\C(=O)O)c(Br)c1 394158915 QWXSYOVQNKLAAO-ALCCZGGFSA-N 310.191 3.393 10 10 DGCE Cc1cccc([C@@H](CCC(F)(F)F)N2CCOCC2)c1O 575305522 UIPHRQBGPGETBL-CYBMUJFWSA-N 303.324 3.416 10 10 DGCE C[C@H](NC(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc(N(C)C)cc1 826532611 WOORKAOKVVWIBW-LCGIIJARSA-N 301.434 3.301 10 10 DGCE NC(=O)[C@H]1CCC[C@H](NCc2cc(-c3ccccc3)ccc2O)C1 738439841 OIKGEIWRGVGGSJ-WMZOPIPTSA-N 324.424 3.193 10 10 DGCE CCC(C)(C)NC(=O)CN(Cc1ccc(N(C)C)cc1)C(C)C 917075284 TULDAJYSCALZAX-UHFFFAOYSA-N 319.493 3.268 10 10 DGCE CC[S@@](=O)CCN[C@H](C)c1ccc(Cl)c(Cl)c1O 756576158 LFXBDDZPKPAUMX-NTCNTBNZSA-N 310.246 3.118 10 10 DGCE CC[C@H](NC[C@H]1CCC2(CCOCC2)O1)c1ccc(C)cc1O 927017072 VQGHJCUBEKIFAK-WBVHZDCISA-N 319.445 3.470 10 10 DGCE CS[C@@H](CNC(=O)NCc1c(O)cccc1F)C(C)(C)C 921919518 VSYVBGXDJDXACL-ZDUSSCGKSA-N 314.426 3.108 10 10 DGCE COc1cc(N(C)C[C@@H]2C[C@H](C)O[C@H](C)C2)cc(OC)c1OC 929707999 PZGVOJKYQFFVCU-WDNDVIMCSA-N 323.433 3.352 10 10 DGCE COC(=O)c1ccc(O)c([C@H](C)NC[C@H](C)c2ccccn2)c1 850483273 VQRQDSLQUIOJOI-STQMWFEESA-N 314.385 3.028 10 10 DGCE COc1cc(C)cc(CN2CCO[C@H](C3CCCCC3)C2)c1O 758288846 GDESETPCOCBVFN-SFHVURJKSA-N 319.445 3.490 10 10 DGCE COc1ccc([C@@H]2CC(=O)CCN2C(=O)OC(C)(C)C)c(O)c1 1952061463 JATMQNPXTKDXQX-AWEZNQCLSA-N 321.373 3.042 10 10 DGCE COc1ccc(N2CC[C@H](N[C@H](C)c3cnc(C)s3)C2)cc1 850487629 IQGMITYWVDROKZ-OCCSQVGLSA-N 317.458 3.390 10 10 DGCE COC(C)(C)[C@H](C)NC(=O)c1cc(C)n(-c2ccccn2)c1C 928595001 NRFJAVXCPADJTI-AWEZNQCLSA-N 315.417 3.032 10 10 DGCE CCOCc1cc(CNC[C@@H]2CCOC2(C)C)ccc1OC 850409533 WPOQYBIRHISBLX-INIZCTEOSA-N 307.434 3.136 10 10 DGCE COc1cc(N(C)CC[C@H]2CCCCO2)cc(OC)c1OC 754050023 NHHPKPBFEGGRRT-CQSZACIVSA-N 309.406 3.108 10 10 DGCE Nc1ccc(CCNC(=O)NCC(C2CCC2)C2CCC2)cc1 861640455 LSQKJKSWZCXESY-UHFFFAOYSA-N 315.461 3.327 10 10 DGCE CCCN(CCC)c1ccc(CNCCc2ccn(C)n2)cc1 760650798 XIZGZPBLMMVVBI-UHFFFAOYSA-N 314.477 3.379 10 10 DGCE CN(C)c1ccc(CN2CCC[C@H](C(=O)OC(C)(C)C)C2)cc1 785809119 BHCNNMZIEFPOQF-INIZCTEOSA-N 318.461 3.306 10 10 DGCE O=C(c1cc2cc(O)c(O)cc2s1)N1CC(CC(F)F)C1 898015857 RMIQVDPDPIBENH-UHFFFAOYSA-N 313.325 3.040 10 10 DGCE Oc1cccc(Cl)c1CNC[C@@H]1CC[C@H](C(F)(F)F)O1 722405555 XIAOXEJJXFKUPU-QPUJVOFHSA-N 309.715 3.245 10 10 DGCE Cc1cccc(-n2c(C)cc(C(=O)N[C@@H]3COC[C@H]3C)c2C)c1 1156327073 VDUZNLPGZNLUEN-FZKQIMNGSA-N 312.413 3.167 10 10 DGCE Cc1cc(CN(C)c2ccc([C@H](C)N)cc2Br)no1 2115104723 OUICQHSOTRVQJU-JTQLQIEISA-N 324.222 3.402 10 10 DGCE CCCN(C)CC(C)(C)NCc1ccc(N2CCCC2)cc1 1327253951 IRCNKCKCWBLEIU-UHFFFAOYSA-N 303.494 3.497 10 10 DGCE C[C@H](NCc1ncccc1Br)c1ccccc1O 1655349615 NBYUCGXQTNWVBO-JTQLQIEISA-N 307.191 3.401 10 10 DGCE C[C@@H](NCCOC1CCSCC1)c1ccc(N(C)C)cc1 1354626791 NOWKAPMCNNGKGY-CQSZACIVSA-N 308.491 3.315 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H]2CC[C@H](C)O2)cc1 1527731994 GWYPOGKVGZETSS-MAUKXSAKSA-N 312.413 3.391 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC/C=C/Cl 1638867714 AEGJTUXIIGEHNP-RUDMXATFSA-N 307.825 3.181 10 10 DGCE CCON(CC)C(=O)Cc1cc(C)n(-c2ccccc2)c1C 1649021199 CCXOECILVDBKGN-UHFFFAOYSA-N 300.402 3.437 10 10 DGCE C[C@@H](Cc1ccco1)C(=O)NCc1ccc2cccnc2c1O 1570533435 BJPIYANWJVHWCS-LBPRGKRZSA-N 310.353 3.028 10 10 DGCE C[C@H](NC(=O)c1cnn(C)c1-c1ccccc1)c1ccccc1O 1642831370 YRXNYIUQUWGCHD-ZDUSSCGKSA-N 321.380 3.284 10 10 DGCE C/C(=C\c1ccc(Cl)cc1)C(=O)NCc1cc(O)ccc1O 1644753798 KCYJJPIVTRKUOY-DHZHZOJOSA-N 317.772 3.471 10 10 DGCE COc1ccc(N(C)CCN(C)CCCc2cccnc2)cc1 1654113781 ARKNODOJRRFQBZ-UHFFFAOYSA-N 313.445 3.091 10 10 DGCE O=C(Nc1nc2c(s1)CCCCCC2)c1cccc(O)c1O 1597458575 BPBLKQMSZTVHKJ-UHFFFAOYSA-N 318.398 3.466 10 10 DGCE CC/C=C\CNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C 1686574019 LWSUUBSRYLAGGN-LZNQSLFOSA-N 303.450 3.257 10 10 DGCE COc1ccc(CN[C@H](CNC(=O)CC(C)C)C(C)C)cc1C 1698957631 XVNFRZSJQKZHNO-QGZVFWFLSA-N 320.477 3.280 10 10 DGCE O=C1CSc2ccc(NCc3cccc(F)c3O)cc2N1 164986622 GAUPWAATAHGOFG-UHFFFAOYSA-N 304.346 3.188 10 10 DGCE C[C@H](N[C@H](C)c1ccccc1O)c1ccc(-n2cncn2)cc1 153959389 CNTPUJJWZPERGC-UONOGXRCSA-N 308.385 3.385 10 10 DGCE CCCOC(=O)c1cccc(/N=N/N2C[C@H](C)O[C@H](C)C2)c1 1860486943 RCFVSRUKOXVRDH-SDBJCMBSSA-N 305.378 3.361 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@]2([C@H](N)c2ccccc2O)C1 1936985184 SKBHUKJPYPHPHW-NYPXFFEGSA-N 318.417 3.085 10 10 DGCE CC(C)(C)OC(=O)NC[C@]1(F)C[C@@H]([C@H](N)c2ccccc2O)C1 1976948111 UYOFFJKZLGHMEP-PZSREKOKSA-N 324.396 3.035 10 10 DGCE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(Cc2ccc(N)cc2)C1 1977925978 KDBRIEXNIQJCBH-ZFWWWQNUSA-N 319.449 3.004 10 10 DGCE C[C@H]1CN(c2ccc(N)cc2)C[C@@H](C)CN1C(=O)OC(C)(C)C 1977931206 FXKVPKHOWFMNJY-KGLIPLIRSA-N 319.449 3.351 10 10 DGCE C[C@H](NCc1nn(C)c(Cl)c1Cl)c1ccc(F)cc1O 2150752037 PNDPNMHJFIDOIP-ZETCQYMHSA-N 318.179 3.422 10 10 DGCE CN(c1ccc2c(c1)CC[C@H]2O)[C@H]1CCN(Cc2ccccc2)C1 2012705612 RBNMPXIFFSIIHA-PZJWPPBQSA-N 322.452 3.377 10 10 DGCE CN(c1ccc2c(c1)CC[C@@H]2N)[C@H]1CCN(Cc2ccccc2)C1 2012708604 GQORNYZIYISHHR-FPOVZHCZSA-N 321.468 3.343 10 10 DGCE C[C@@H]1C[C@H](N(C)c2ccc(CN)cc2Br)CS1 2015487866 ZWTPTGPCMKNSBX-KOLCDFICSA-N 315.280 3.238 10 10 DGCE C[C@H]1CCC[C@H](S(=O)(=O)Nc2ccc(O)cc2Cl)C1 407316959 PTIPQACJDJBCBI-ONGXEEELSA-N 303.811 3.366 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNCCCc1cn[nH]c1 314539899 CPRUVTXQBDSFJZ-UHFFFAOYSA-N 300.189 3.145 10 10 DGCE O[C@@]1(c2ccc(N3CCCC3)cc2)CCCC2(CC1)OCCO2 2163091304 GDSXSNJDTJMAQG-SFHVURJKSA-N 317.429 3.182 10 10 DGCE CP1(=O)CCN(c2ccc(CO)c(C(F)(F)F)c2)CC1 2171996505 QHMUNCOQTXLQDJ-UHFFFAOYSA-N 307.252 3.011 10 10 DGCE CN(Cc1cnns1)c1ccc(CNC2CC2)c(Cl)c1 400011370 FIEYCXLGEVBJFF-UHFFFAOYSA-N 308.838 3.080 10 10 DGCE C[C@H](NC1CC(CNC(=O)OC(C)(C)C)C1)c1ccccc1O 895852635 YJPYUWWVWUCLMC-HSBZDZAISA-N 320.433 3.346 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CC[C@@H]2NCCC[C@@H]2C1 1237384432 WSGOFQFLNHYSMB-YGRLFVJLSA-N 315.244 3.273 10 10 DGCE CCNCc1ccc(N2C[C@H](F)C[C@H]2C)c(Br)c1 2042209191 SYHDFCMILGMUMH-ZYHUDNBSSA-N 315.230 3.495 10 10 DGCE C[C@H](O)c1ccc(N(C)Cc2ccon2)cc1Br 2042309816 FTYCVQXZOOXDFH-VIFPVBQESA-N 311.179 3.127 10 10 DGCE COCCNCc1ccc(OCC(Cl)=CCl)c(C)c1 2098788071 JXSOBHDQJDZNRS-UHFFFAOYSA-N 304.217 3.429 10 10 DGCE COc1ccc(N(CCCN)C/C(C)=C/Br)cc1 2219366552 ACOQYUGVXZJBTE-ZRDIBKRKSA-N 313.239 3.149 10 10 DGCE CN(c1ccc(CN)c(Cl)c1)C1CSCCSC1 2221349635 KLXXORCNAKGFDD-UHFFFAOYSA-N 302.896 3.084 10 10 DGCE C[C@@H](O)c1ccc(N(C)C[C@H](F)[C@@H]2CCOC2)c(Cl)c1 2238344595 XZLHEGJQOHZXKL-QKCSRTOESA-N 301.789 3.204 10 10 DGCE N=C1C(=Cc2ccc(O)cc2)C(=O)N=C2Sc3ccccc3N12 2296318969 PTQNZCBHLFGDAJ-UHFFFAOYSA-N 321.361 3.261 10 10 DGCE CCOc1ccccc1N(C)C(=O)C=Cc1ccc(O)c(O)c1 2308005989 PWQZHMXPBXNETD-UHFFFAOYSA-N 313.353 3.173 10 10 DGCE CCN1C(=O)C(=Cc2ccc(OC)c(C)c2OC)SC1=S 2313681050 BERJEOSVOLMFLT-UHFFFAOYSA-N 323.439 3.233 10 10 DGCE Cc1ccc(CNC[C@H]2C[C@@H]2C(F)F)c(O)c1Br 2327611669 FSONFKOPYCVRDZ-ZJUUUORDSA-N 320.177 3.454 10 10 DGCE [N-]=[N+]=NCCCNC(=O)c1cc(Br)cn1C1CC1 42013147 OKFODISMWPDMDP-UHFFFAOYSA-N 312.171 3.016 10 10 DGCE CCCOc1ccc(N2CC[C@@H](CNC[C@@H]3CCCO3)C2)cc1 76370999 FFLWZWHWUPPCLN-LPHOPBHVSA-N 318.461 3.070 10 10 DGCE CCOC(=O)c1ccnc(Sc2ncc(C(C)=O)s2)c1 83252147 BLARKCFTTHDJDZ-UHFFFAOYSA-N 308.384 3.069 10 10 DGCE CCN(C)c1ccc([C@@H](C)N[C@@H](C)C(=O)N2CCCCC2)cc1 89593716 QHZSUEWPXLIACG-CVEARBPZSA-N 317.477 3.194 10 10 DGCE COc1ccc2c(c1)CCN2Cc1cn(C)nc1-c1ccncc1 127705327 SBOPGPMKPDSIBM-UHFFFAOYSA-N 320.396 3.053 10 10 DGCE COc1cc(CN2[C@H]3CC[C@H]2CC(O)C3)c(O)c(C(C)(C)C)c1 164354257 PUTWSTSLBQEZCK-KBPBESRZSA-N 319.445 3.186 10 10 DGCE CCCN(C(=O)OC(C)(C)C)[C@H](C(=O)O)c1ccccc1O 227190729 SPAMOVXZINMTBV-ZDUSSCGKSA-N 309.362 3.165 10 10 DGCE CN[C@@H](C)c1cc(Br)cc(Br)c1O 238322714 UCTQJAWYYBDSTL-YFKPBYRVSA-N 309.001 3.198 10 10 DGCE CCCOc1ccc(CN2CC[C@@H]3OCCC[C@H]3C2)c(O)c1 245707356 FGWCLHMTEHWYBV-YJBOKZPZSA-N 305.418 3.182 10 10 DGCE CCN(Cc1cc(Br)ccc1O)C(=O)/C=C/C1CC1 269130265 HIXHQSDMBSIGKZ-VMPITWQZSA-N 324.218 3.469 10 10 DGCE C[C@]12C[C@H]1CCC[C@@H]2NCc1ccc(N2CCOCC2)cc1 282371626 WNMYFBWXFAWFOZ-NEWSRXKRSA-N 300.446 3.192 10 10 DGCE C[C@@H]1C[C@H](N(C)Cc2cc(Cl)c(F)cc2O)CCN1C 295521333 ZZTBNKOZFVPMKJ-ZYHUDNBSSA-N 300.805 3.099 10 10 DGCE Nc1ccc(N2C(=O)c3ccc(Cl)cc3C2=O)cc1Cl 380735197 KTOFYFMYGCOYCE-UHFFFAOYSA-N 307.136 3.376 10 10 DGCE c1cc(N2CCCC2)ccc1CNCCN1CCCCCC1 382386998 OMABSFJDAMDSFY-UHFFFAOYSA-N 301.478 3.252 10 10 DGCE CN(Cc1ccsn1)c1ccc(CO)c(C(F)(F)F)c1 705669882 UYVQMKYBHUHERD-UHFFFAOYSA-N 302.321 3.291 10 10 DGCE CN(CC1(C)CC1)c1ccc(CN)c(Br)c1F 710413714 ZBQBCYGSJQMBTD-UHFFFAOYSA-N 301.203 3.283 10 10 DGCE Oc1c(Br)cccc1CNCCOCC1CCC1 764978427 ZJUHNFHDFPVWCG-UHFFFAOYSA-N 314.223 3.061 10 10 DGCE CC[C@@H](NCC1(O)Cc2ccccc2C1)c1ccc(C)cc1O 794799936 ALNYXDJKTDXQKG-GOSISDBHSA-N 311.425 3.271 10 10 DGCE CC1(C)CC[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)O1 807837704 AKFSRTVBXHCQOZ-LLVKDONJSA-N 318.200 3.273 10 10 DGCE CC[C@H]1CC[C@H](NCc2ccc(N3CCN(C)CC3)cc2)CC1 814299889 DWVXWPBKJYRESC-UAPYVXQJSA-N 315.505 3.497 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCC2(CC2)C1 831923947 AFJTVJLMVXEZLS-OCCSQVGLSA-N 303.402 3.115 10 10 DGCE CC[C@H](NC/C=C/c1ccc(N(C)C)cc1)[C@H](O)C(F)(F)F 835042045 QJTPLVSVVJDIEX-WHJWBVKISA-N 316.367 3.057 10 10 DGCE Cn1c(NCc2ccc(N3CCCCC3)cc2)nnc1C1CC1 849347228 XOXPBOMDNFEMEU-UHFFFAOYSA-N 311.433 3.295 10 10 DGCE CCO[C@@H](CN1CCCN(c2ccc(OC)cc2)CC1)C1CC1 859086881 PVOHKFIXIDCHEV-IBGZPJMESA-N 318.461 3.022 10 10 DGCE CC(C)c1noc(-c2ccnc(N3Cc4cccc(O)c4C3)c2)n1 866118074 WFDQVIBWOUIBSO-UHFFFAOYSA-N 322.368 3.481 10 10 DGCE c1cc2c(cc1CN[C@H](C1CC1)[C@@H]1CCCOC1)CCCO2 922901291 OREUFKNAEMPLKF-IEBWSBKVSA-N 301.430 3.306 10 10 DGCE COC[C@@H](C)CC(=O)NCc1cc(C)n(-c2ccccc2)c1C 1132048245 NXENHNRDPXBVQL-AWEZNQCLSA-N 314.429 3.383 10 10 DGCE COC(=O)/C=C/c1ccc(N(C)C2CC(C)(C)C2)c([N+](=O)[O-])c1 1163459583 IBAKSYBJMMCIIT-SOFGYWHQSA-N 318.373 3.406 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2cn(-c3ccccc3)nc2C)c1 1167293894 SXIRBGVCVXKGJU-UHFFFAOYSA-N 321.380 3.125 10 10 DGCE c1cc(N2CCCC2)ccc1CN1CC[C@@H]2CSC[C@H]2C1 1262012424 VXEVLWLUMDOKHX-IAGOWNOFSA-N 302.487 3.472 10 10 DGCE CCC[C@@H](C)C(=O)N(C)C[C@H](C)NCc1ccc(OC)c(C)c1 1277770882 JJSDCDXYFOMJIW-ZBFHGGJFSA-N 320.477 3.376 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F 1328089056 WCTLZHFAZXVPIM-BMFZPTHFSA-N 322.399 3.392 10 10 DGCE Cc1cc(C)c(CC(=O)NCc2ccc(N(C)C)c(F)c2)s1 1434915697 VWNIJGFCQLOPKY-UHFFFAOYSA-N 320.433 3.429 10 10 DGCE COc1cccc(CN[C@H]2CCC[C@H]2Cc2cc(C)no2)c1O 1615852545 QAIORNXVGJQYOO-BBRMVZONSA-N 316.401 3.198 10 10 DGCE CCC(C)(C)C(=O)N(C)[C@H](C)CNCc1ccc(OC)c(C)c1 1666983198 WAZJGEZZYFFZNA-OAHLLOKOSA-N 320.477 3.376 10 10 DGCE CSc1cc(O)ccc1NS(=O)(=O)Cc1ccc(C)cc1 1858060106 BMAXGLDQTYCWQA-UHFFFAOYSA-N 323.439 3.364 10 10 DGCE O=C(O)Cc1ccc(/N=N/N2CCN(c3ccccc3)CC2)cc1 1860480869 IXCSJDSWSOMNGI-FMQUCBEESA-N 324.384 3.135 10 10 DGCE CN[C@H](C)c1ccc(N2CC(N(C)Cc3ccccc3)C2)cc1 1914194000 QUTSOCOIMXTLBD-MRXNPFEDSA-N 309.457 3.288 10 10 DGCE CC(C)(C)OC(=O)N1CCCC[C@H]1[C@H](N)c1ccccc1O 1928475348 WZMPWXJXCIYUKT-DZGCQCFKSA-N 306.406 3.182 10 10 DGCE C[C@H](O)c1ccc(N2C[C@@H](F)[C@H](C)C2)c(Br)c1 1947312722 JFWUHVBOTCKBMU-VDDIYKPWSA-N 302.187 3.297 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H](F)C[C@H]1c1cc(N)ccc1O 1953054337 XAVDRDYGVXJJEP-MFKMUULPSA-N 310.369 3.385 10 10 DGCE CN(CCCCN=[N+]=[N-])[C@@H](CNC(=O)OC(C)(C)C)C1CC1 1962300756 RZGNZBVMFFMRLD-ZDUSSCGKSA-N 311.430 3.312 10 10 DGCE C[C@H]1CN(CCCCN=[N+]=[N-])C[C@H]1CNC(=O)OC(C)(C)C 1962303472 HQFNKBCTBQZZSX-QWHCGFSZSA-N 311.430 3.170 10 10 DGCE COc1cc(Cl)cc(CN[C@H]2C[C@H](C(F)(F)F)C2)c1O 1967888334 IQANTQKWAMKKSA-CZMCAQCFSA-N 309.715 3.485 10 10 DGCE CN(C)c1ccc([C@@H](O)C[C@H]2CCN2C(=O)OC(C)(C)C)cc1 1979100921 GWCFRGJSCCGRON-CVEARBPZSA-N 320.433 3.186 10 10 DGCE CC[C@@H](c1ccccc1O)N(OCc1ccccc1)C1CNC1 1982823791 SQMMMUUBAHLLHS-SFHVURJKSA-N 312.413 3.249 10 10 DGCE N[C@H]1CC=C(CN2CCCc3ccc(Br)cc32)C1 2028511810 YKDIJUZEZRMHLV-AWEZNQCLSA-N 307.235 3.249 10 10 DGCE CC1(NCc2cc(Cl)ccc2O)CCC2(CC1)OCCO2 2064792757 JEINNSXGKSFNPV-UHFFFAOYSA-N 311.809 3.211 10 10 DGCE COC(=O)c1cc(C(C)C)nn1[C@H](C)c1cc(C)ccc1O 2069953056 LWTWOZXXANUPAR-GFCCVEGCSA-N 302.374 3.416 10 10 DGCE CNCc1cc(CC(C)C)nn1[C@H](C)c1ccc(C)cc1O 2070057218 CHKSNILYIOIDOX-CQSZACIVSA-N 301.434 3.424 10 10 DGCE O=S(=O)(Nc1ccc(O)c(Cl)c1)[C@@H]1CCCC[C@@H]1F 2118895177 WYWWLGYKGNNCGZ-CMPLNLGQSA-N 307.774 3.068 10 10 DGCE CCCN(c1cc(Cl)c(CN)cc1F)C1CCOCC1 2197210295 GJGOSALUNMISPD-UHFFFAOYSA-N 300.805 3.333 10 10 DGCE CCCNCc1cc(F)c(N(C)CP(C)(C)=O)c(F)c1 2198577317 GPHSSIVCTPFYPN-UHFFFAOYSA-N 304.321 3.481 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNCC12COC(CF)(C1)C2 2202751092 ZCHGKQZWRUKGAY-UHFFFAOYSA-N 320.191 3.307 10 10 DGCE CC(C)(CO)N(Cc1ccccc1)c1ccc2c(c1)OCCO2 2210884942 FMLBEJWZXGHKSN-UHFFFAOYSA-N 313.397 3.235 10 10 DGCE COc1ccc(Br)c(CNCCC2(C)CC2)c1O 2220462065 GIKNAIQXIJJMOH-UHFFFAOYSA-N 314.223 3.443 10 10 DGCE C[C@@H](N)c1ccc(N2CCc3ncsc3CC2)cc1Cl 2287060107 AMVUQVLDWIQCEQ-SNVBAGLBSA-N 307.850 3.421 10 10 DGCE CC[C@@](C)(CN)N(C)Cc1ccc(C)c(Br)c1O 2327554818 WVVMRBOUXHGPJF-AWEZNQCLSA-N 315.255 3.022 10 10 DGCE CC(F)(F)c1csc(CNCc2c(O)cccc2F)n1 2360816417 URELYGYYPDLXQQ-UHFFFAOYSA-N 302.321 3.389 10 10 DGCE C[C@@H]1CN(c2ccc([C@@H](C)N)cc2Br)[C@H](C)CO1 61695208 YGKQBZDYTCPKSZ-GMTAPVOTSA-N 313.239 3.082 10 10 DGCE CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1ccc(C)o1 27571707 ISQIOPLXWZUGJX-DHDCSXOGSA-N 310.309 3.092 10 10 DGCE Cc1c(F)cc(C(N)=O)cc1NCc1c(O)cccc1Cl 120730164 ISZPGWDPLJMLIK-UHFFFAOYSA-N 308.740 3.204 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc2ncccc12 186435908 ZZEYPYXDCGBFQW-LBPRGKRZSA-N 322.364 3.007 10 10 DGCE COc1ccc(O)c(CNC(=O)c2cccc3ccccc23)c1 78726247 QYKOVQRXTQOOAO-UHFFFAOYSA-N 307.349 3.484 10 10 DGCE COc1ccc(O)c([C@@H](C)Nc2cccc(CCCO)c2)c1 317064747 FPUCPWLRQWUFBC-CYBMUJFWSA-N 301.386 3.499 10 10 DGCE C[C@@H]1CC[C@@H](C)N(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 73915662 GGBJZWTZQFZMCV-CHWSQXEVSA-N 307.413 3.222 10 10 DGCE O=C(NCCc1ccccc1)NCc1ccc(N2CC=CC2)cc1 133915733 BZGKCFIRBZDJOY-UHFFFAOYSA-N 321.424 3.105 10 10 DGCE CC(C)(C)CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 193776200 WVOIGTCCIHAJEY-HNNXBMFYSA-N 320.433 3.129 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)c1scnc1C1CC1 89810783 RAJKDXUTTFBSSX-UHFFFAOYSA-N 315.442 3.325 10 10 DGCE C[C@H](N)c1ccc(N2CCSC[C@H]2C)cc1Br 235512216 QGDLCXKTCZKRJN-ZJUUUORDSA-N 315.280 3.411 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CC[C@H](NCc2cc(F)ccc2O)C1 382507367 YWENSEZJJYQSIZ-KBPBESRZSA-N 324.396 3.067 10 10 DGCE COc1ccc(CN2CCC[C@@H]2C[C@H](O)c2ccco2)c(O)c1 91959096 ZYOKCDPASXAVGN-PBHICJAKSA-N 317.385 3.082 10 10 DGCE Cc1ccc(O)c([C@H](C)NCCCCN2C[C@H](C)O[C@@H](C)C2)c1 248500059 NBPPNTJKIWOKNP-ULQDDVLXSA-N 320.477 3.241 10 10 DGCE CN(C(=O)Cc1cccc(Br)c1)c1ccc(N)cc1 50039702 FNJQGYUQSFAQKD-UHFFFAOYSA-N 319.202 3.237 10 10 DGCE Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)Cc2ccc(N)cc2)cc1 262628122 LWTCIWKOWQYBDG-QUCCMNQESA-N 324.424 3.156 10 10 DGCE CC(C)C[C@@H](C)C(=O)NCc1cccc(Br)c1O 277406357 BRKXYZZXKXNQNU-SNVBAGLBSA-N 314.223 3.453 10 10 DGCE CN1CCc2cc([C@H](O)c3ncc(Cl)cc3Cl)ccc21 2163060355 AYYFLLZICFHDIF-HNNXBMFYSA-N 309.196 3.462 10 10 DGCE O=C(NCc1cccc(Br)c1O)[C@@H]1CC[C@@H]2C[C@@H]2C1 817596685 MZHIJEXYMMNTIC-CKYFFXLPSA-N 324.218 3.207 10 10 DGCE COC[C@@H]1CCN1C(=O)c1cc(C)n(-c2cccc(C)c2)c1C 817815489 OPFDMTABKPUQBU-KRWDZBQOSA-N 312.413 3.263 10 10 DGCE CN(C)c1ccc(CN2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 824696330 LJXXNAKDVQSPEJ-OTWHNJEPSA-N 302.462 3.268 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCO[C@H](c3ccco3)C2)cc1 835027980 HUGOUPQXWQQPOO-UABKOXTMSA-N 312.413 3.432 10 10 DGCE CN1CCCc2cc(CNC(=O)NCCCC3CC3)ccc21 736405400 GDLLFAFQAHSRLA-UHFFFAOYSA-N 301.434 3.058 10 10 DGCE CC[C@H]1CC[C@H](NC(=O)NCc2cccc(OC)c2O)CC1 838601062 DZKXODLRZJVWCQ-MQMHXKEQSA-N 306.406 3.169 10 10 DGCE CN(C)c1ccc(CN[C@H](C[C@H]2CCCO2)C(F)(F)F)cc1 848572676 VKZQPDVVNVBGDD-HUUCEWRRSA-N 316.367 3.342 10 10 DGCE Cc1cc(N(C)C)ccc1CN1CCC[C@H]([C@@H]2CCCN2)C1 843043923 DCBWPCBMTLGFBX-HKUYNNGSSA-N 301.478 3.025 10 10 DGCE C[C@H](Nc1cccc([C@@H]2CNC(=O)C2)c1)c1cc(F)ccc1O 757619852 UZAILAULKKJYCO-AAEUAGOBSA-N 314.360 3.308 10 10 DGCE CCN(C(=O)c1cc(O)cs1)[C@@H](C)[C@H](O)c1ccccc1 854564440 YMTGQOUMTHNNAO-NHYWBVRUSA-N 305.399 3.038 10 10 DGCE C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)[C@H](O)c1ccc(N(C)C)cc1 1895694024 XTIFHSUPWOBXFF-CDHAZOANSA-N 320.433 3.089 10 10 DGCE CCN(CC)c1ccc(CNC[C@H](C(=O)O)C2CCC2)cc1 854245634 LAEJEHQNMIUWHY-KRWDZBQOSA-N 304.434 3.123 10 10 DGCE Cn1ccc2c([C@@H]3[C@H](N)CCN3C(=O)OC(C)(C)C)cccc21 1952356174 OQBOPFAWLYFTOA-GDBMZVCRSA-N 315.417 3.188 10 10 DGCE C[C@@H](N[C@H](CO)C1CCC1)c1cccc(C(F)(F)F)c1O 850487707 JLANVXBDGOFBPX-NOZJJQNGSA-N 303.324 3.223 10 10 DGCE O=C(C[C@@H]1CCC(F)(F)C1)NCc1ccc2cccnc2c1O 862026520 QZZAZPUCHQULMQ-NSHDSACASA-N 320.339 3.382 10 10 DGCE Cc1ccc(/C=C/S(=O)(=O)Nc2ccc(O)c(C)c2)cc1 771220588 XYCQSHDFZJNDFJ-MDZDMXLPSA-N 303.383 3.422 10 10 DGCE CCN(CC)c1ccc(CN2CCOCC3(CC3)C2)cc1F 783594784 JQKBZCHEFHIDIT-UHFFFAOYSA-N 306.425 3.284 10 10 DGCE CC(C)(C)c1cc(NC(=O)c2ccc(N=NC(N)=O)cc2)n[nH]1 1159706621 RAZUDJMYSGITPY-UHFFFAOYSA-N 314.349 3.122 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2c([N+](=O)[O-])ccc(C)c2C)c1 1167293953 WCCHGNGQEVVYIW-UHFFFAOYSA-N 314.341 3.156 10 10 DGCE CCC1(CC)[C@@H](NC(=O)N[C@@H](C)c2ccccc2O)C[C@H]1OC 1312347038 CFTHRYDYTIROAV-VBNZEHGJSA-N 320.433 3.346 10 10 DGCE CC1(C)C[C@@H]1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1357322737 FRDOEAJSXFENBL-MRXNPFEDSA-N 319.360 3.447 10 10 DGCE C/C(=C/c1cccnc1)C(=O)N1CCOc2cc(F)c(F)cc21 1530995447 DXVPRCIZZQNHLA-XFFZJAGNSA-N 316.307 3.189 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)c2nccc3occc23)c1 1636066692 RRZNKYLGZAGHDJ-JTQLQIEISA-N 312.325 3.033 10 10 DGCE CC[C@]1(F)CCN(Cc2c(O)cccc2Br)C1 1925582509 GUQPXBUDZZHDJG-ZDUSSCGKSA-N 302.187 3.479 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2cn(C)c3ccc(F)cc23)c1 1645801011 ZKHNMJHOMDMILG-UHFFFAOYSA-N 312.344 3.261 10 10 DGCE O=C(O)C1CCN(/N=N/c2ccc([N+](=O)[O-])cc2Cl)CC1 1860483786 JMDAMNUVNXLGHS-CCEZHUSRSA-N 312.713 3.044 10 10 DGCE Cc1ccc(-n2c(C)cc(C(=O)NCCc3cnc[nH]3)c2C)cc1 1874035387 MCLOGDHPEHHSSL-UHFFFAOYSA-N 322.412 3.098 10 10 DGCE CC(C)(C)OC(=O)NC[C@H]1C[C@H](F)CN1CCCCN=[N+]=[N-] 1962306057 XMXQFJTVISXQQZ-NWDGAFQWSA-N 315.393 3.014 10 10 DGCE CC(C)c1c[nH]nc1CNCc1c(O)cccc1Br 1966057172 WOIVVVWCEUJYOU-UHFFFAOYSA-N 324.222 3.291 10 10 DGCE CN(C)c1ccc([C@@H](O)[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)cc1 1977939033 NCKYQYIULDUPRI-IIAWOOMASA-N 320.433 3.089 10 10 DGCE CCN[C@@H](C)c1ccc(N2CCOC(F)(F)C2)cc1Cl 2152294690 QEDOKXWXRGNFAI-JTQLQIEISA-N 304.768 3.440 10 10 DGCE CN1CCc2cc([C@H](O)c3ccn(Cc4ccccc4)n3)ccc21 2022110688 SCCJYQLUKWNSGQ-FQEVSTJZSA-N 319.408 3.005 10 10 DGCE C[C@H](Nc1c(Br)cnn1C)c1ccc(F)cc1O 2038255114 KDGYQWBHDAKLNT-ZETCQYMHSA-N 314.158 3.200 10 10 DGCE Oc1c(Br)cccc1CNC1C[C@@H]2[C@@H](C1)C2(F)F 710483555 ZBZDVGWSPSZFFM-NXEZZACHSA-N 318.161 3.288 10 10 DGCE CN(C)[C@H]1CCC[C@@H](Nc2c(N)cccc2Br)C1 715492565 VNVVAUSTZWRXAR-MNOVXSKESA-N 312.255 3.316 10 10 DGCE C[C@@H](N[C@@H]1CCCC12OCCO2)c1ccc2ccccc2c1O 715601740 OMDSVASLLRDANU-CXAGYDPISA-N 313.397 3.492 10 10 DGCE Cc1nn(Cc2cccc(C(F)(F)F)c2O)c(C(F)F)c1N 2079231977 KBQSCFSAXQTZRB-UHFFFAOYSA-N 321.249 3.484 10 10 DGCE CNCc1ccc(N(C)[C@@H]2CC[C@H]3C[C@@H]32)cc1Br 2046853002 GLSYNGDXEAYSCA-VZJVUDMVSA-N 309.251 3.403 10 10 DGCE CC[C@H]1CC[C@@H](CNCc2cccc(Br)c2O)O1 2081655682 KQULKXNOOADXCL-RYUDHWBXSA-N 314.223 3.202 10 10 DGCE Cc1cc(Br)cnc1[C@H](N)c1ccc(N(C)C)cc1 2269738338 CQTIGTILVVEYAI-CQSZACIVSA-N 320.234 3.267 10 10 DGCE CSc1ncc(CNC2CC3(C2)C[C@@H]2CC[C@H](C3)N2)s1 2284687060 CYBWIPCKSDXBIT-QOARYFPJSA-N 309.504 3.018 10 10 DGCE COC(OC)[C@H]1CCCC[C@@H]1NCc1cnc(SC)s1 2284701230 ZHEUBRQXPXKLQI-RYUDHWBXSA-N 316.492 3.132 10 10 DGCE CN(CC1(Br)CC1)c1ccc(CN)c(C2CC2)c1 2317067831 XMEBQMGPCLXGSJ-UHFFFAOYSA-N 309.251 3.386 10 10 DGCE COc1ccc(OC)c(C2=C/C(=C\c3ccc(O)cc3)C(=O)O2)c1 6625187 VVQGYBUQMQYROQ-UKTHLTGXSA-N 324.332 3.391 10 10 DGCE C[C@@H](CNCc1ccc(N(C)C)cc1)CNC(=O)OC(C)(C)C 309725033 PHDSFPUZIMLMFC-AWEZNQCLSA-N 321.465 3.003 10 10 DGCE Oc1ccccc1CN1CCC[C@H](CN2CCCCCC2)C1 179569329 ZYSXGRYISJEKCD-QGZVFWFLSA-N 302.462 3.480 10 10 DGCE Cc1ncsc1/C=C/C(=O)N1CCc2c(F)cc(F)cc21 186153807 VSEGIXAQOUEQFD-NSCUHMNNSA-N 306.337 3.332 10 10 DGCE C[C@@H](NCC(=O)NC(C)(C)C)c1ccc2ccccc2c1O 121879826 BBERTQJUNYGPJG-GFCCVEGCSA-N 300.402 3.111 10 10 DGCE Nc1ccc(CC[S@](=O)c2ccccc2Br)cc1 40969409 DVGFRWFQQKGPAZ-GOSISDBHSA-N 324.243 3.382 10 10 DGCE C[C@H](N[C@@H](C)c1nnc2n1CCCCC2)c1cc(F)ccc1O 321488822 DPZRPKUYLBOSFK-RYUDHWBXSA-N 318.396 3.261 10 10 DGCE CCC[C@H](NC(=O)COc1ccc(N)cc1)c1cccs1 49540675 MWIJTSPJWVXEQQ-AWEZNQCLSA-N 304.415 3.367 10 10 DGCE N[C@H](c1cc(Br)cc(Br)c1O)C1CC1 95672126 LTMUFJTXHGTWQO-VIFPVBQESA-N 321.012 3.327 10 10 DGCE CCOc1ccc(O)c(CNC[C@H]2CCN2C2CCCCC2)c1 527752996 RCVNMDWNPOLJOW-QGZVFWFLSA-N 318.461 3.288 10 10 DGCE Cn1cc(/C=C\C(=O)N2CCOc3ccncc32)c2ccccc21 255418501 KCFLSWOUIWUCDN-SREVYHEPSA-N 319.364 3.012 10 10 DGCE CC1(OC(=O)/C=C\c2ccc(N3CCOCC3)cc2)CCC1 255487547 OQIZMFUMPHOGPR-YVMONPNESA-N 301.386 3.022 10 10 DGCE Oc1ccc2c(n1)CCC[C@H]2NCc1cccc(Cl)c1O 271817324 CPKRUFLKTBWIQP-CYBMUJFWSA-N 304.777 3.313 10 10 DGCE Cc1ccnc(C2CCN(Cc3cc(F)ccc3O)CC2)n1 371887759 JJHWUTIZFAMAIN-UHFFFAOYSA-N 301.365 3.009 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)NCCC2(F)CCC2)c1 806044182 ZWUHUAGVMKOLRE-NSHDSACASA-N 310.369 3.043 10 10 DGCE O=[N+]([O-])c1c[nH]ccc1=NCc1cc(Cl)cc(Cl)c1O 808089829 KXZNWUUSRDQMEY-UHFFFAOYSA-N 314.128 3.036 10 10 DGCE C[C@H](N[C@H](C)[C@@H](C)N)c1cc(Br)cc(Cl)c1O 817977920 RLCBXDOUIJZAGX-PRJMDXOYSA-N 321.646 3.194 10 10 DGCE CCN(CC)c1ccc(CNC(=O)CCOCC(C)C)cc1F 731347221 QTPMSOHBTYJSFR-UHFFFAOYSA-N 324.440 3.351 10 10 DGCE CN(Cc1ccccc1O)C(=O)NC1CCC(C(F)F)CC1 838762988 FNHPUHGSTFKJON-UHFFFAOYSA-N 312.360 3.358 10 10 DGCE Cc1cc(Cl)cc(CN2CCC[C@@H]([C@@H]3CCNC3)C2)c1O 843125245 OXOOBJMCVOLCEY-ZIAGYGMSSA-N 308.853 3.176 10 10 DGCE Oc1cccc2c1[C@H](NC[C@@H]1CCC[C@@H](C(F)(F)F)O1)CC2 926914751 JAZJYSNJDPWIOL-SCRDCRAPSA-N 315.335 3.469 10 10 DGCE CCc1nc(C)cc(N[C@H]2CCN(c3ccc(OC)cc3)C2)n1 853760614 LHMKLHNWKHWXEY-AWEZNQCLSA-N 312.417 3.047 10 10 DGCE COc1ccc(N2CC[C@@H](NCc3cc(F)cc(F)c3)C2)cc1 850347724 WSQAOPUZAUQNBM-MRXNPFEDSA-N 318.367 3.342 10 10 DGCE C[C@H](NC(=O)Cc1ccc(N)cc1)c1ccc2c(c1)CCCO2 852926457 AZWHXHMQWUMBQR-ZDUSSCGKSA-N 310.397 3.014 10 10 DGCE C[C@@H]1CN(Cc2ccc(Cl)cc2O)C[C@](C)(C(F)F)O1 1560938366 CLYPNVZPGQAPQU-YMTOWFKASA-N 305.752 3.290 10 10 DGCE C[C@H](NC(=O)NCCO[C@H]1CCCC[C@@H]1C)c1ccccc1O 868103162 GDVYCTFSYRNHCN-ZQIUZPCESA-N 320.433 3.348 10 10 DGCE C[C@@H]1C[C@@H](N[C@H](CO)c2ccsc2)c2c(O)ccc(F)c21 769990656 VUEFMRMRDPGDHF-OASPWFOLSA-N 307.390 3.464 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1[C@@H]2C[C@@H]3[C@@H]1OC[C@@H]3C2 865694101 SNTSPPPGRUMIJU-SXAYMSPUSA-N 314.212 3.212 10 10 DGCE C[C@@H](NC(=S)NCc1ccccc1)c1ccc(N(C)C)cc1 774259299 VZVIKIFPZUATEJ-CQSZACIVSA-N 313.470 3.478 10 10 DGCE COC(=O)N1CCC[C@H]([C@@H](C)N[C@@H](C)c2cc(F)ccc2O)C1 775578221 IXALSBHGPSJRMA-AGIUHOORSA-N 324.396 3.049 10 10 DGCE C[C@@H]1C[C@@H](NCc2ccc(F)cc2O)CN1Cc1ccccc1 1964581785 UGFQZSWWOLNYRW-RDTXWAMCSA-N 314.404 3.284 10 10 DGCE C[C@H](N[C@H](C)COCc1ccccc1)c1cc(O)ccc1O 390553025 DZCBDSRIWZKUDS-KGLIPLIRSA-N 301.386 3.354 10 10 DGCE CC[C@H](NCc1cnc[nH]1)c1cc(Br)ccc1O 88750613 DBLWVJPYSKRFNV-LBPRGKRZSA-N 310.195 3.119 10 10 DGCE CC[C@@](C)(NCc1ccc(N2CCN(C)CC2)c(F)c1)C1CC1 1327846040 TZSNFNOKKUFBKZ-LJQANCHMSA-N 319.468 3.246 10 10 DGCE CC1(C)OCC[C@H]1CNCc1cccc(Br)c1O 693067611 XFQVOUSOCPKXLG-NSHDSACASA-N 314.223 3.059 10 10 DGCE Cc1c(Br)cccc1C(=O)NCc1ccc(N)cc1 88440122 NDMSHXNBXPCMJQ-UHFFFAOYSA-N 319.202 3.270 10 10 DGCE O=C(c1cnn(C2CCCCC2)c1)N1Cc2cccc(O)c2C1 1348789089 NENNQEPGUWVPSS-UHFFFAOYSA-N 311.385 3.250 10 10 DGCE Cc1[nH]nc(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)c1C 1457974027 QULUSRPMSMBEJH-UHFFFAOYSA-N 322.412 3.364 10 10 DGCE O=C(NCc1c(O)cccc1F)c1cc2cc(F)ccc2o1 1456031635 YQQNXNWZTRQCGL-UHFFFAOYSA-N 303.264 3.347 10 10 DGCE CCOc1cc(Cl)ccc1C(=O)NCc1c(O)cccc1O 1456235904 PJZXKLXJHJGCHW-UHFFFAOYSA-N 321.760 3.080 10 10 DGCE CN(C(=O)c1ccc(N=NC(N)=O)cc1)C1Cc2ccccc2C1 1292107588 IWWHUURYPDRZAN-UHFFFAOYSA-N 322.368 3.088 10 10 DGCE c1cc2c(cc1CN[C@H]1CCOCC13CCCC3)CCCO2 1461823301 WOMIWDDCYMMWTE-SFHVURJKSA-N 301.430 3.451 10 10 DGCE Cc1ccc(C(=O)NCC(C)(C)Cc2ccccc2)c(O)c1O 1465143797 WEZRVQQKGAPGFW-UHFFFAOYSA-N 313.397 3.405 10 10 DGCE O=C(NCc1c(O)cccc1F)NC[C@@H]1CCC[C@@H]1C1CC1 1564921808 MCLMPUHCDXXVMJ-QWHCGFSZSA-N 306.381 3.157 10 10 DGCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H]2CC2(C)C)c1 1570265941 DQRHZDZCGNTXSR-KRWDZBQOSA-N 310.397 3.435 10 10 DGCE CCO[C@H]1CCCN(c2ccc(CN)cc2C(F)(F)F)C1 163698371 VQJGIBMMZDVMDV-LBPRGKRZSA-N 302.340 3.169 10 10 DGCE Cc1occc1C(=O)Nc1ccnn1Cc1ccc(N(C)C)cc1 154172153 YEVQKDPTULSMDE-UHFFFAOYSA-N 324.384 3.151 10 10 DGCE COc1cc(/N=N/N2C[C@H](C)O[C@H](C)C2)c(OC)cc1Cl 1860484203 BUNGKWQGNDNHMX-LJWRFYLWSA-N 313.785 3.465 10 10 DGCE CC(C)OC(=O)c1cccc(/N=N/N2C[C@@H](C)O[C@H](C)C2)c1 1860487284 YRQCUYGHNYNEMB-HWSXFHHQSA-N 305.378 3.360 10 10 DGCE C[C@]1(CNCc2cccc(Br)c2O)CCCCO1 922816310 IKEULIXCQTYASH-CQSZACIVSA-N 314.223 3.204 10 10 DGCE CC[C@H]1CCCCN1C(=O)CCNCc1ccc(N(C)C)cc1 1857862663 AGBZEBFQKVMZOR-KRWDZBQOSA-N 317.477 3.023 10 10 DGCE CNCc1ccc(N(C)Cc2ccncc2)c(Br)c1 234409476 PCFMEWSVKKNZJF-UHFFFAOYSA-N 320.234 3.200 10 10 DGCE Nc1ccc(CN[C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)cc1 1944077087 BNSZBXWMZHYORW-TYPHKJRUSA-N 321.468 3.412 10 10 DGCE CCNCc1ccc(N2C[C@@H]3C[C@@]3(C)C2)cc1Br 2035032478 RZTQIODCCGNSJQ-WFASDCNBSA-N 309.251 3.405 10 10 DGCE O=C(O)c1csc(Sc2ncc(C(F)(F)F)s2)n1 2038490002 BPZMKUDLBPBZSS-UHFFFAOYSA-N 312.319 3.468 10 10 DGCE C[C@H]1C[C@@H](N(C)c2ccc([C@@H](C)N)c(Br)c2)CO1 401560713 GHQCFCZPQLLPRF-HOSYDEDBSA-N 313.239 3.082 10 10 DGCE NC[C@@]12CCC[C@H]1CN(Cc1cc(Cl)cc(Cl)c1O)C2 312750999 XBZQAPUQPOQPGN-XHDPSFHLSA-N 315.244 3.260 10 10 DGCE CP(C)(=O)C1CCN(c2c(F)cc(CO)cc2F)CC1 2159336972 ZMIPTWNWBZUPDF-UHFFFAOYSA-N 303.289 3.049 10 10 DGCE C[C@@H]1C[C@H](N(C)Cc2c(O)cccc2Br)[C@@H](C)O1 707164140 RKWRAIXRLCFFJG-BREBYQMCSA-N 314.223 3.152 10 10 DGCE C[C@H]1[C@@H](C)OCCN1c1ccc([C@@H](C)N)cc1Br 380581819 XTMBSYLIJQODBX-OUAUKWLOSA-N 313.239 3.082 10 10 DGCE CCN(c1ccc(N)cc1)S(=O)(=O)c1sc(C)cc1C 382022809 ORIVKGLJWMNWBF-UHFFFAOYSA-N 310.444 3.162 10 10 DGCE Oc1ccc(Cl)cc1CNCCCn1cc(Cl)cn1 388266711 MBUVXBSBQWXIFX-UHFFFAOYSA-N 300.189 3.075 10 10 DGCE Oc1c(F)cc(Br)cc1CN1CCC[C@@H]1CF 1235075677 NYZTVQAKCIMIHP-SNVBAGLBSA-N 306.150 3.228 10 10 DGCE C[C@H](c1ccccc1O)N(C)c1ncc(Br)cn1 2072447732 CVPYBPSGKZOYLA-SECBINFHSA-N 308.179 3.142 10 10 DGCE CC1=C(Br)CCN(c2ccc(CN)c(F)c2F)C1 2077208731 PYPMNORLGPRJRX-UHFFFAOYSA-N 317.177 3.303 10 10 DGCE N[C@@H]1CCCC12CN(Cc1cc(Cl)cc(Cl)c1O)C2 2098260447 JIUSQYDEROMTMS-GFCCVEGCSA-N 301.217 3.012 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@H]1NC(=O)c1cccc(Br)c1 2218746685 XYXVHVZWRKDOKC-MNOVXSKESA-N 309.167 3.410 10 10 DGCE C[C@@H](N[C@@H]1CC[C@@H]1CNC(=O)OC(C)(C)C)c1ccccc1O 2296871519 SFPXCJZITGNYQQ-UMVBOHGHSA-N 320.433 3.346 10 10 DGCE C[C@H](N)c1ccc(N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)cc1Br 2308721222 UTWDGEGATVKERC-UDVZWPTNSA-N 307.235 3.313 10 10 DGCE Oc1cc(Br)ccc1CNC[C@H]1C[C@H]2C=C[C@@H]1C2 2309750581 RJCNOABWHOAJOA-DMDPSCGWSA-N 308.219 3.457 10 10 DGCE CCOC(=O)[C@@H]1CCCN(N=Nc2ccc(N(C)C)cc2)C1 2330221511 PUVADGWFXYICDQ-CYBMUJFWSA-N 304.394 3.026 10 10 DGCE CC(C)(C)[C@H]1OCCC[C@]1(Sc1nccs1)C(=O)O 2351987938 ALTSGVGNPSSFLY-NOZJJQNGSA-N 301.433 3.284 10 10 DGCE COc1cccc([C@H]2C[C@@H]2C(=O)N(C)Cc2ccccc2O)c1 106907991 QSIPNDKPQZWGEQ-SJORKVTESA-N 311.381 3.163 10 10 DGCE CCN(CC)c1ccc(CNC(=O)N(C)CC2CC2)cc1F 109018834 WMSGBTQTCXFVMN-UHFFFAOYSA-N 307.413 3.223 10 10 DGCE OC1C[C@@H]2CC[C@H](C1)N2Cc1ccc(N2CCCCC2)cc1 126554203 VAPJUXXMWYWNTN-DFNIBXOVSA-N 300.446 3.165 10 10 DGCE Cc1cccn2c(/N=N\c3ccccc3C(=O)O)c(C(=O)O)nc12 71582003 ADPSZXCJZGOXCJ-HNENSFHCSA-N 324.296 3.455 10 10 DGCE CN(C)c1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S2)cc1 38541003 VPRJUODWVBYTDW-MRXNPFEDSA-N 323.425 3.359 10 10 DGCE COC(=O)c1sccc1CN[C@H](C)c1cc(OC)ccc1O 182371057 IZRQGJDRJCANQS-SNVBAGLBSA-N 321.398 3.100 10 10 DGCE CC(C)c1ccc(/C=C2/SC(=S)N(CCCO)C2=O)cc1 210384411 ADRXLTIBWRDLSC-GXDHUFHOSA-N 321.467 3.394 10 10 DGCE C[C@H](NCc1cc(C(N)=O)co1)c1ccc2ccccc2c1O 187704723 AMJGQNIYQBDXJY-NSHDSACASA-N 310.353 3.088 10 10 DGCE COC(=O)Cc1nc2c(C)cccn2c1/N=N\c1ccc(O)cc1 71581825 QHMBAURCWPKCEW-VXPUYCOJSA-N 324.340 3.479 10 10 DGCE N[C@H](c1cc(Cl)cc(Br)c1O)C(F)(F)F 72196018 QPJYXNGTSIIWER-SSDOTTSWSA-N 304.493 3.370 10 10 DGCE Cc1cccnc1CNC(=S)Nc1cccc2cccnc12 243685119 PJAHZVWJVOXOPM-UHFFFAOYSA-N 308.410 3.425 10 10 DGCE CC1(C)CC(CS(=O)(=O)Nc2ccc(O)cc2Cl)C1 723786822 QHEBHMZAZXSVOJ-UHFFFAOYSA-N 303.811 3.224 10 10 DGCE Cc1ccccc1[C@@H](O)CNCCCSc1nccs1 819064243 UZQPJDXJQSCUCY-AWEZNQCLSA-N 308.472 3.257 10 10 DGCE COc1cccc([C@@H](C)N[C@@H](CO)CCc2ccccc2)c1O 903292688 KHEZXIOEUCJHGB-GDBMZVCRSA-N 315.413 3.045 10 10 DGCE COc1cc(CN(C[C@@H](C)O)C(C)C)c(O)c(C(C)(C)C)c1 824725907 OGJDZPWEIHBPNZ-CYBMUJFWSA-N 309.450 3.290 10 10 DGCE COc1ccc(O)c(CNC(=S)Nc2ccc(F)cc2)c1 733906715 PXPWWWVRKLPVBH-UHFFFAOYSA-N 306.362 3.027 10 10 DGCE Cc1[nH]c2ccc(CNC(=O)c3cc(O)cs3)cc2c1C 732277420 LASRXOHHLVQWMI-UHFFFAOYSA-N 300.383 3.482 10 10 DGCE CC[C@H](NCc1ccccc1CNC)c1ccc(F)cc1O 844924644 PGNVKRNHZNLCLR-KRWDZBQOSA-N 302.393 3.492 10 10 DGCE COc1ccc(N2CC[C@@H](Nc3ccc(Cl)cn3)C2)cc1 853759056 OHKCGXCJNAMLME-CYBMUJFWSA-N 303.793 3.434 10 10 DGCE Cc1ccsc1[C@@H](CO)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O 756736927 PXUVVWWBMSKBTA-GXFFZTMASA-N 322.386 3.055 10 10 DGCE CCN(C)c1ccc([C@H](C)N[C@@H]2CC=C(C(=O)OC)C2)cc1 858471954 FKOCRIVBTIIVFQ-XJKSGUPXSA-N 302.418 3.055 10 10 DGCE CCOc1ccc(O)c(CNC[C@@H]2Cc3ccccc3CO2)c1 858211999 WFLZIDIPBNFOBK-SFHVURJKSA-N 313.397 3.022 10 10 DGCE C[C@H](N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)c1ccc2ccccc2c1O 756731086 DKYCWHASYRCSJD-OSDKZWGASA-N 324.424 3.205 10 10 DGCE C[C@H](NCc1cc(Br)ccc1O)c1cscn1 697935124 IKINGCNWOSKJPR-QMMMGPOBSA-N 313.220 3.462 10 10 DGCE CN(C)c1ccc(CN[C@H]2CCNC[C@H]2C2CCCC2)cc1 925512034 YQVYUAMUFUTSMA-OALUTQOASA-N 301.478 3.011 10 10 DGCE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1c1c(N)cccc1O 1953074025 OHJFKYFTSHMFHE-SNVBAGLBSA-N 314.332 3.292 10 10 DGCE C[C@H]1[C@@H](C)O[C@H](C)CN1Cc1c(O)cccc1Br 862337551 WYVPKAQWTFZCIK-OUAUKWLOSA-N 314.223 3.152 10 10 DGCE COc1ccc2c(c1)CC[C@@H]2C(=O)NCc1cc(C)ccc1O 862753024 AAQNLTQUMIHROH-KRWDZBQOSA-N 311.381 3.055 10 10 DGCE CC(C)(NCc1ccc(F)c(F)c1O)[C@@H](O)c1ccccc1 895663600 YZIYZAWJYPVNJB-INIZCTEOSA-N 307.340 3.272 10 10 DGCE CCc1cccc(CC(=O)NCc2ccc3c(c2)CCCN3C)c1 1136436324 SAMPBUMPDZTQBS-UHFFFAOYSA-N 322.452 3.490 10 10 DGCE CC1(C)[C@@H]2CN(C(=O)c3cc4cc(O)c(O)cc4s3)C[C@H]21 896683104 GDBYOIRCRYPFNN-NXEZZACHSA-N 303.383 3.041 10 10 DGCE COc1cc(NS(=O)(=O)/C=C/c2ccc(C)cc2)ccc1O 797819343 GPNQTNVZJSARQL-MDZDMXLPSA-N 319.382 3.122 10 10 DGCE C[C@@H]1SCCN(c2ccc(CN)cc2C(F)(F)F)[C@H]1C 133328157 BCMNMXIXMXSWGF-UWVGGRQHSA-N 304.381 3.494 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)[C@H](F)c1ccccc1 1451946561 DCMZUMFWWHYRPE-OAHLLOKOSA-N 310.328 3.267 10 10 DGCE C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 1546172186 PFAJOSRXSYWNBQ-CWTRNNRKSA-N 311.381 3.080 10 10 DGCE COc1ccc(N(C)CCN(C)CCCC(C)(F)F)cc1 1559966480 BHEDPEKQVQUOBJ-UHFFFAOYSA-N 300.393 3.499 10 10 DGCE COc1cc(CNCc2ccncc2)ccc1N1CCCCC1 212696107 FEXXSGGIWLKTGU-UHFFFAOYSA-N 311.429 3.370 10 10 DGCE C/C(=C\C(=O)NCc1c(O)ccc2ccccc12)c1cnccn1 1635968991 LGIJKBOIVIWKBN-JLHYYAGUSA-N 319.364 3.055 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(CC)s1 1634940009 WRAFUCQKDPPRLP-UHFFFAOYSA-N 310.415 3.432 10 10 DGCE C[C@H](Cn1ccc2ccccc21)C(=O)NCc1cc(O)ccc1O 1643882314 SSWQGBVIVKMYEH-CYBMUJFWSA-N 324.380 3.005 10 10 DGCE C[C@H]1C[C@@H](Nc2ccccc2N)CCN1C(=O)OC(C)(C)C 1959373467 IWTOEQXSTOFJAU-STQMWFEESA-N 305.422 3.469 10 10 DGCE Cc1cccc(N2C(=O)[C@@H](CN3CCCCC3)SC2=S)c1 5755437 FXFFWPIYVAESOW-CQSZACIVSA-N 320.483 3.214 10 10 DGCE CN(C)c1ccc([C@@H](N)c2nccn2Cc2ccccc2)cc1 11735311 BWKJVBGLQUVUQJ-GOSISDBHSA-N 306.413 3.046 10 10 DGCE CCNCc1ccc(N(C)CC2CCN(C)CC2)c(Cl)c1 164067752 AMENVDRHABNRJU-UHFFFAOYSA-N 309.885 3.228 10 10 DGCE CN[C@H](c1ccccc1O)[C@H](C)C1CN(C(=O)OC(C)(C)C)C1 1936976522 TXRCXUBLTGZQKX-WBMJQRKESA-N 320.433 3.156 10 10 DGCE Cc1sc(Br)c(C(=O)NCCN=[N+]=[N-])c1C 1940031815 QTULLFPXJKYPFJ-UHFFFAOYSA-N 303.185 3.168 10 10 DGCE CN(c1ccc(CN)c(Br)c1)C1CC(F)(F)C1 1942047184 WDLSQBMXKPQITG-UHFFFAOYSA-N 305.166 3.142 10 10 DGCE C[C@@H](NCc1cccc(Br)c1O)[C@H]1CCSC1 1942256184 YMHJZDQZYDOQMV-KOLCDFICSA-N 316.264 3.386 10 10 DGCE Cc1cccc(O)c1CNCc1ncccc1Br 1963064044 MBDVUMBUXZHKTB-UHFFFAOYSA-N 307.191 3.148 10 10 DGCE CC(C)c1cc(CNCc2c(O)cccc2Br)[nH]n1 1973554588 RWHFVNZIIACAJT-UHFFFAOYSA-N 324.222 3.291 10 10 DGCE CP(C)(=O)[C@@H]1CC[C@H](NCc2cc(F)cc(F)c2O)C1 1973922382 BJUUEGUQMCABDD-NWDGAFQWSA-N 303.289 3.304 10 10 DGCE NCc1ccc(N2CCCC[C@H]2CF)c(Br)c1 2004419525 HFJDKAOROJRXRF-NSHDSACASA-N 301.203 3.236 10 10 DGCE Cc1cccc(O)c1CN[C@H](CNC(=O)OC(C)(C)C)C1CC1 1976875874 PZLUFBVOAXOXPB-OAHLLOKOSA-N 320.433 3.094 10 10 DGCE Cc1cccc(O)c1CN[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 1976875168 FOXXWCLZGLTVLL-GJZGRUSLSA-N 320.433 3.236 10 10 DGCE CC(C)[C@H](NC(=O)OC(C)(C)C)[C@H](O)c1ccc(N(C)C)cc1 1977957236 COJDRLTZJAIYHT-JKSUJKDBSA-N 322.449 3.335 10 10 DGCE CCN(c1ccc(CO)cc1Br)[C@@H]1CCSC1 2003839634 DPEDHPGQJARGIJ-LLVKDONJSA-N 316.264 3.273 10 10 DGCE CCCN[C@H](c1ccccc1O)[C@@H](O)c1scnc1Cl 2148165483 SQDUSWFFTZPVNX-VXGBXAGGSA-N 312.822 3.276 10 10 DGCE N[C@H]1CC=C(CN2CCCc3c(Br)cccc32)C1 2028396893 KFLSLYZAQVENEJ-LBPRGKRZSA-N 307.235 3.249 10 10 DGCE N[C@@H]1C[C@H]2CC[C@H]1N(Cc1cc(Cl)cc(Cl)c1O)C2 700861622 MKCYWHBWQXFMFB-BZHVJNSISA-N 301.217 3.011 10 10 DGCE CC[C@H](N[C@H]1C[C@@]1(C)OC)c1cc(Br)ccc1O 694484556 LKLKOIQSYQXDAP-FPMFFAJLSA-N 314.223 3.373 10 10 DGCE C[C@H]1CCSCCN1c1ccc(CN)c(C(F)(F)F)c1 385337486 CZLDHEHBJIYNFU-JTQLQIEISA-N 304.381 3.496 10 10 DGCE Cc1ccc([C@H](n2nc(C(F)F)c(N)c2N)C2(C)CC2)c(O)c1 2079063024 ABLOINMFYJACNW-ZDUSSCGKSA-N 322.359 3.389 10 10 DGCE C[C@H]1C(CN(C)c2cc(Br)c(CN)cc2F)[C@@H]1C 2043300419 IJBMCJWILFMZHU-RKDXNWHRSA-N 315.230 3.385 10 10 DGCE Cc1cc([C@@H](N)c2ccc(N(C)C)cc2)oc1Br 2044719483 PIXXVXRUVMWFQW-ZDUSSCGKSA-N 309.207 3.465 10 10 DGCE Cc1onc(CN2CCC[C@@H](N=[N+]=[N-])CC2)c1Br 2055413805 SENAAGGFHYBKSG-SECBINFHSA-N 314.187 3.410 10 10 DGCE NCC[C@@H]1CCC[C@H](Nc2c(N)cccc2Br)C1 2071631054 JBNDAGOIIKRMDD-QWRGUYRKSA-N 312.255 3.351 10 10 DGCE CSc1ncc(CNC(=S)NC2CCCCC2)s1 2257043760 CZBCHQIQMDSPBU-UHFFFAOYSA-N 301.506 3.162 10 10 DGCE CCN[C@H](C)c1cnc(SC[C@@]2(OCC)CCOC2)s1 2287073320 TZBAGQAPHYLPNQ-BXUZGUMPSA-N 316.492 3.101 10 10 DGCE CCN[C@]1(C(=O)O)CCCC[C@H]1CCSc1nccs1 2288745330 QLLMBNCTONYLHM-SMDDNHRTSA-N 314.476 3.248 10 10 DGCE CN1C(=O)C(=Cc2ccc(OCC(F)F)cc2)SC1=S 2297718698 LRPHQPBXYQKGON-UHFFFAOYSA-N 315.366 3.162 10 10 DGCE CCc1ccc2c(c1)[C@]1(NN=C(Cc3ccccc3)S1)C(=O)N2 834585 FMCDHUPYGKJCFE-GOSISDBHSA-N 323.421 3.247 10 10 DGCE Nc1ccc(Nc2ccc(I)cc2)nc1 8419037 MJBSHPMDCJMPLJ-UHFFFAOYSA-N 311.126 3.012 10 10 DGCE Cn1c(/C=C\c2ccccc2[N+](=O)[O-])nc2ccccc2c1=O 32266737 LDPJBIMAYVCUGN-KHPPLWFESA-N 307.309 3.012 10 10 DGCE CN[C@H](C)c1ccc(N2CCC[C@H](C(F)(F)F)C2)cc1O 93671904 QGFALEDDKHMRKE-MNOVXSKESA-N 302.340 3.451 10 10 DGCE CCCC[C@H](N)c1cc(I)ccc1O 95769523 HWBRRVHHIDXPFK-JTQLQIEISA-N 305.159 3.187 10 10 DGCE CC1=NN(c2ccc(F)cc2)C(=O)/C1=C/Nc1ccc(O)cc1 100148976 HQZYBFGGOJSYIE-MHWRWJLKSA-N 311.316 3.250 10 10 DGCE C[C@@H](NC(=O)CCN(C)Cc1ccccc1O)c1ccccc1 109772936 HTMMERFUGODUPR-OAHLLOKOSA-N 312.413 3.092 10 10 DGCE Cc1nn(-c2ccccc2)c(Sc2nccs2)c1CN 111569603 CEAGXVQIXCVLBJ-UHFFFAOYSA-N 302.428 3.247 10 10 DGCE CN(Cc1ccccc1O)C(=O)NCCc1cc(F)ccc1F 176452346 SIOWQUCNAJYDST-UHFFFAOYSA-N 320.339 3.055 10 10 DGCE C[C@@H](NC[C@@H](O)c1ccc(OC(F)F)cc1)c1ccccc1O 179879198 MNDZHRRMBGEDIU-BDJLRTHQSA-N 323.339 3.378 10 10 DGCE Cc1ccc(C(=O)Nc2ccccc2-n2nccc2C)c(O)c1O 182217157 NYKAKLHQBGMAPD-UHFFFAOYSA-N 323.352 3.153 10 10 DGCE CO[C@@H]1CCCN([C@@H](C)c2cc(Br)ccc2O)C1 230935325 JQXWNLNVOXLYSH-CMPLNLGQSA-N 314.223 3.327 10 10 DGCE CCCCC(=O)N1CCN(c2ccc(OC)c(Cl)c2)CC1 244136365 UMQGFBSQTVFTBY-UHFFFAOYSA-N 310.825 3.187 10 10 DGCE CCOc1ccc(O)c(CN[C@@H]2CCO[C@H](C(C)(C)C)C2)c1 270606057 BRSAUIUNORJHCH-PBHICJAKSA-N 307.434 3.474 10 10 DGCE CCCCN(CCc1ccnn1CC)Cc1ccccc1O 283276950 WBASGCYAYJAUDP-UHFFFAOYSA-N 301.434 3.453 10 10 DGCE CO[C@H](C)[C@@H](C)NCc1ccc(OCc2ccccc2)cc1O 290841385 IHMFFYXGLYTTHS-HUUCEWRRSA-N 315.413 3.484 10 10 DGCE c1ccc([C@@H](NCc2ccc3c(c2)CCO3)[C@H]2CCOC2)cc1 374472549 QMYRATIGSGFCOT-AZUAARDMSA-N 309.409 3.489 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)c2cc3c(s2)CCSC3)C1 403732667 MUVYNNBSYRJCOW-JTQLQIEISA-N 308.432 3.452 10 10 DGCE Cc1ccc(C(=O)COC2CCN(c3ccc(N)cc3)CC2)cc1 585880717 ZZJFKSRVUWHVOZ-UHFFFAOYSA-N 324.424 3.446 10 10 DGCE COC[C@H](C)N(C)Cc1cc(Cl)cc(Br)c1O 708134315 RHYMIAWSMMNHGI-QMMMGPOBSA-N 322.630 3.275 10 10 DGCE Oc1ccc(Cl)cc1CNCC1CN(Cc2ccccc2)C1 716271153 OSHBAFAFIUKIGU-UHFFFAOYSA-N 316.832 3.267 10 10 DGCE COc1cc(Cl)cc([C@H]2NC(=O)c3ccc(F)cc3N2)c1O 758819408 KUEICGMHSOJYQN-CQSZACIVSA-N 322.723 3.047 10 10 DGCE CC(C)N1[C@H]2CC[C@H]1CN(Cc1ccc(N(C)C)c(F)c1)CC2 769482278 YHDAOIFARWNAHL-IRXDYDNUSA-N 319.468 3.339 10 10 DGCE CCOc1cccc(CN2CCC[C@H]([C@@H]3CCOC3)C2)c1O 770375003 PPTGMSRIDAEECC-GOEBONIOSA-N 305.418 3.039 10 10 DGCE CC(C)(C)c1cc(O)c(O)c(CN2CCO[C@H](C3CC3)C2)c1 776767372 GUWGIEMHQNBWGF-INIZCTEOSA-N 305.418 3.006 10 10 DGCE C[C@@H](N[C@@H]1CCCCNC1)c1cc(Cl)c(Cl)cc1O 817984318 QJUSUAYEBBCWJN-NXEZZACHSA-N 303.233 3.492 10 10 DGCE CN(C)c1ccc(CN2CCC(c3ccon3)CC2)cc1F 827629281 HDUFJQIWMXENSQ-UHFFFAOYSA-N 303.381 3.259 10 10 DGCE CCc1cccc(CN2C[C@H](C)O[C@H](CC(F)(F)F)C2)c1O 827785982 FJNSVYYDUILESI-SMDDNHRTSA-N 317.351 3.496 10 10 DGCE Oc1cccc(Cl)c1CN1C[C@]23CCCC[C@@]2(COC3)C1 827850723 QBPHQJJGSBHBSF-IRXDYDNUSA-N 307.821 3.438 10 10 DGCE Cc1ccc(C)c(CN(C)C(=O)NCCc2ccc(N)cc2)c1 841959406 NTTBHAJWPXFSLK-UHFFFAOYSA-N 311.429 3.270 10 10 DGCE CCOc1ccc(CN[C@@H](c2ccccc2)[C@H](C)O)c(O)c1 850419404 DKNQJEZPTADELT-SCLBCKFNSA-N 301.386 3.003 10 10 DGCE COc1cccc([C@@H](C)NCCc2noc3ccccc23)c1O 850483755 TVLVZWVVBXIXDN-GFCCVEGCSA-N 312.369 3.435 10 10 DGCE CC1(C)CN(C(=O)C=C2CCNCC2)c2cccc(Cl)c21 852826144 QSYMQINQNWTPFB-UHFFFAOYSA-N 304.821 3.274 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)CC3(C)CCCC3)C2)cc1 855226988 SDBCHHALIPNXSC-HNNXBMFYSA-N 316.445 3.361 10 10 DGCE C[C@H](NC[C@@H](n1cccn1)C(F)(F)F)c1ccc(F)cc1O 858449462 MAJBGEIVWIKEMN-TVQRCGJNSA-N 317.286 3.182 10 10 DGCE COc1cccc([C@H](C)NC[C@@H]2CCC23CCOCC3)c1O 866532054 VIMOAZVPLXUPSY-KBPBESRZSA-N 305.418 3.258 10 10 DGCE Cc1ccccc1CO[C@@H](C)C(=O)N1Cc2cccc(O)c2C1 871207262 LRIYLLYEGKARLN-AWEZNQCLSA-N 311.381 3.148 10 10 DGCE C[C@H](N[C@H](CCN(C)C)c1cccnc1)c1cc(F)ccc1O 903381878 ZJUPOCXANYVBII-SUMWQHHRSA-N 317.408 3.270 10 10 DGCE N[C@@H]1c2ccccc2C[C@H]1NCc1ccc(N2CCCCC2)cc1 904460969 CMTHBLYEXVKRLT-NHCUHLMSSA-N 321.468 3.391 10 10 DGCE CC(C)(/C=C/Cl)NC(=O)NCc1ccc(N2CC=CC2)cc1 919918364 MDBDLNMUOWQZIN-MDZDMXLPSA-N 319.836 3.393 10 10 DGCE c1cc2c(cc1CN[C@H](C1CCOCC1)C1CC1)CCCO2 922218240 YUEQXQDMRCGQKK-IBGZPJMESA-N 301.430 3.306 10 10 DGCE CC[C@@H](CNC(=O)NCc1c(O)cccc1F)CC(F)(F)F 922888169 IHSWPTYSOYKRBZ-SECBINFHSA-N 322.302 3.309 10 10 DGCE Oc1cccc2c1[C@H](NCC[C@@H]1CC[C@@H](C(F)(F)F)O1)CC2 926904086 DODWSEYZSMIHAV-SCRDCRAPSA-N 315.335 3.469 10 10 DGCE CC[C@@H](NCC[C@H](N(C)C)C(F)(F)F)c1ccccc1O 926966222 ZFLKBVJPDDOCPS-OCCSQVGLSA-N 304.356 3.316 10 10 DGCE Cc1nnc(CCN(Cc2ccccc2O)C2CCCC2)o1 929635989 PHBSDTQYZXWJHG-UHFFFAOYSA-N 301.390 3.071 10 10 DGCE C[C@@H](NC(=O)c1c(Cl)ccnc1F)c1ccc(N(C)C)cc1 1347174816 NUDMFSISBUHTNO-SNVBAGLBSA-N 321.783 3.431 10 10 DGCE Cc1cc(CCNC(=O)[C@@H]2C[C@H]2F)c(C)n1-c1ccccc1 1438176277 DOOHLKMUNZXHHR-IAGOWNOFSA-N 300.377 3.111 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)Nc1cccc(-n2cccc2)c1 1540754049 DPSLSJMNCNFOGX-UHFFFAOYSA-N 308.337 3.070 10 10 DGCE O=C(CCc1ccc(F)cc1)NCc1cccc(Cl)c1O 1558757110 PNQVHGIHPPMSAD-UHFFFAOYSA-N 307.752 3.434 10 10 DGCE CCC[C@H](C)C(=O)N[C@H]1C[C@@H](NCc2ccc(OC)c(C)c2)C1 1566833666 RLVSEAFXTFREHI-RRQGHBQHSA-N 318.461 3.177 10 10 DGCE CC(C)(C(=O)NCc1ccccc1O)c1ccc(F)cc1F 1595799731 GKVUQIYEEXYCFN-UHFFFAOYSA-N 305.324 3.264 10 10 DGCE O=C(NCc1c(O)cccc1F)c1cccc(Br)c1 1596906340 DMRYIFOUVZJZHA-UHFFFAOYSA-N 324.149 3.224 10 10 DGCE Cc1cccc(O)c1C(=O)NCc1ccc2c(c1)CCCN2C 1597856804 YZIJMIBLLISFKR-UHFFFAOYSA-N 310.397 3.013 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N2CC(Cc3ccccc3)C2)cc1 1598007842 UJHPKWUSOVVUJB-UHFFFAOYSA-N 322.368 3.164 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2cccc(C(F)(F)F)c2N)c1 1633282886 OSKDJYPEFKAKQP-UHFFFAOYSA-N 324.302 3.232 10 10 DGCE C[C@H](NC(=O)Cc1ccc2cnccc2c1)c1ccccc1O 1642831322 WUYCBSCNFJVXPI-ZDUSSCGKSA-N 306.365 3.360 10 10 DGCE Cc1ccc([C@@H]2C[C@@H](N)CCN2C(=O)OC(C)(C)C)c(O)c1 1952149048 PNTHAZJNKFTOHG-JSGCOSHPSA-N 306.406 3.100 10 10 DGCE Oc1cc(OCc2ccccc2)ccc1[C@H]1CSCCN1 1952382237 SNLUDDUAMLLBAR-MRXNPFEDSA-N 301.411 3.349 10 10 DGCE CN(c1ccc(N)cc1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 1959567224 NPEQPSOOHRMZLZ-HNNXBMFYSA-N 305.422 3.008 10 10 DGCE C[C@@H]1CCCN(CCN=[N+]=[N-])[C@H]1CCNC(=O)OC(C)(C)C 1962305511 SUEWFCGQKNCSLP-OLZOCXBDSA-N 311.430 3.312 10 10 DGCE Oc1cc(F)ccc1CNCc1ccn(Cc2ccccc2)n1 1964562842 UKYVJXBYRPCFNB-UHFFFAOYSA-N 311.360 3.066 10 10 DGCE CN(Cc1ccccc1)[C@@H]1CCCN(CCc2ccc(N)cc2)C1 2003362537 IHAZFUMNKHTDQZ-OAQYLSRUSA-N 323.484 3.408 10 10 DGCE Oc1cccc(Br)c1CN[C@@H]1C[C@]12CC2(F)F 2004611541 YVYFHYVRLJWFED-MNOVXSKESA-N 304.134 3.042 10 10 DGCE C[C@H]1N(Cc2cc(Br)ccc2O)CCC1(F)F 2004633534 PAVOFYSIEFDELU-MRVPVSSYSA-N 306.150 3.384 10 10 DGCE C[C@]12CC[C@@H]1CCN2c1cc(Br)c(CN)cc1F 2039544768 SYOCCYFFQPXIRT-YGRLFVJLSA-N 313.214 3.426 10 10 DGCE Cc1cccc(O)c1CNCc1cncc(Br)c1 2042632844 LUNWQWZSDMRWRE-UHFFFAOYSA-N 307.191 3.148 10 10 DGCE C[C@@H](N)c1ccc(N2CC(F)(C3CC3)C2)cc1Br 2052046823 BHPDOWVOIRJRBA-SECBINFHSA-N 313.214 3.407 10 10 DGCE CCNCc1ccc(N(C)C[C@H]2C[C@H]2F)cc1Br 2068047306 CLGRJDQQNGLQBB-BXUZGUMPSA-N 315.230 3.353 10 10 DGCE CCc1nn([C@H](c2ccc(C)cc2O)C(C)(C)C)c(N)c1CO 2079136878 FBIQHJPQFJDCBF-MRXNPFEDSA-N 317.433 3.170 10 10 DGCE Cc1cc(N2C[C@](C)(F)[C@](C)(Br)C2)ccc1CO 2084857542 VLZJNYXPQSUKQD-KGLIPLIRSA-N 316.214 3.189 10 10 DGCE C[C@@H]1CN(c2ccc(CO)c(Br)c2)CCC1(F)F 2085357772 FABOIPHZFORQQS-SECBINFHSA-N 320.177 3.423 10 10 DGCE N[C@]1(c2ccccc2O)CCc2cc(Br)ccc2C1 2090038387 WVCRNWIEDKOMCJ-MRXNPFEDSA-N 318.214 3.498 10 10 DGCE CN(C(=O)Nc1ccc(N)cc1)c1cncc(Br)c1 2104792068 WFUMARGASUZPGW-UHFFFAOYSA-N 321.178 3.095 10 10 DGCE Cc1cc([C@H](NN)c2ccc3c(c2)CCN3C)sc1Cl 2165333014 JEXACRFQEROVSC-CQSZACIVSA-N 307.850 3.255 10 10 DGCE Cc1cc(C(=O)NCCc2ccc(O)c(O)c2)sc1Cl 2165351670 HUTBDEDOMJVDAN-UHFFFAOYSA-N 311.790 3.094 10 10 DGCE CN(CCOC(F)F)c1ccc(CNC2CC2)c(Cl)c1 2202944711 AANOBDUWGYDJEF-UHFFFAOYSA-N 304.768 3.267 10 10 DGCE COc1ccc(Br)c(CN2CC[C@@H](C)[C@@H]2C)c1O 2220484066 YLYILLTYMMFWEY-ZJUUUORDSA-N 314.223 3.394 10 10 DGCE CSc1ncc(CN[C@@H]2CCCC[C@@H]2[C@@H]2CCCN2)s1 2284692752 WFUBQQNFPYRTGF-HZSPNIEDSA-N 311.520 3.265 10 10 DGCE Cc1ccc(C=C2SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)cc1 2293215406 NWXXQLZGOPJPFQ-STQMWFEESA-N 316.426 3.075 10 10 DGCE C[C@@H](O)CCCN(C)c1ccc([C@@H](C)O)cc1Br 2314573005 BSGYVIQKTXHAJD-GHMZBOCLSA-N 316.239 3.100 10 10 DGCE CCC1=NN(CC(C)C)C(=O)C1=Cc1ccc(OC)c(OC)c1 2332140270 RAXKOXWBNINNRY-UHFFFAOYSA-N 316.401 3.351 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)c2cc(Br)ccn2)CC1 2336286667 FICCBTSZGBRGGK-JTQLQIEISA-N 324.182 3.149 10 10 DGCE NN[C@@H](c1ccccc1O)c1cc(F)c(Cl)cc1Cl 2351614824 QVMNVBVJGSQPQQ-ZDUSSCGKSA-N 301.148 3.391 10 10 DGCE CC(C)N[C@](CO)(CSc1nccs1)[C@@H]1CC12CCC2 2371154813 PZVZMASJOPMUDB-IUODEOHRSA-N 312.504 3.155 10 10 DGCE CC[C@H](NS(=O)(=O)Cc1ccc(N)cc1)C1CCCCC1 52333847 BJVPFVFMTRPGQX-INIZCTEOSA-N 310.463 3.047 10 10 DGCE c1cc(N2CCN(CC3CC3)CC2)ccc1CNC1CCCC1 92855820 MZZIRJQNARARBX-UHFFFAOYSA-N 313.489 3.251 10 10 DGCE COc1cccc2c1N(C(=O)/C=C/c1cncc(C)c1)CCC2 119230804 BGHGARFOZCLSAD-CMDGGOBGSA-N 308.381 3.391 10 10 DGCE COc1ccc(CNC2CC2)cc1CSc1nc(C)ns1 131297517 RMSWMWIKWGIXLB-UHFFFAOYSA-N 321.471 3.399 10 10 DGCE Cc1ccccc1-n1c(C)cc(C(=O)N[C@H](C)[C@H](C)CO)c1C 151154459 HZLSGBHOCBRMKZ-UKRRQHHQSA-N 314.429 3.149 10 10 DGCE CCOC[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(C)C 189363548 RSQAADLILMTNMJ-QFBILLFUSA-N 320.477 3.235 10 10 DGCE CN(C(=O)c1cc(Br)ccc1O)c1ccc(N)cc1 234250184 IEWLTHGECCUMTI-UHFFFAOYSA-N 321.174 3.014 10 10 DGCE CN(CC(F)F)c1ccc(CNC2CC2)c(Br)c1 234292350 CLMSOIYZVCNIJD-UHFFFAOYSA-N 319.193 3.402 10 10 DGCE Cc1cc(NS(=O)(=O)c2ccccc2Cl)c(C)cc1O 235898319 REVPAVPIPRPWQL-UHFFFAOYSA-N 311.790 3.463 10 10 DGCE Nc1ccc(CNC(=O)c2csc(Br)c2)cc1 236357376 MJYCAOJLTHKVAF-UHFFFAOYSA-N 311.204 3.023 10 10 DGCE CC(=O)N(C(=O)c1ccc(-n2cccc2)cc1)c1ccc(N)cc1 242934543 GZVFUUQYFYADKA-UHFFFAOYSA-N 319.364 3.253 10 10 DGCE C[C@@H](N[C@@H]1CCN(Cc2ccccc2)C1)c1c(O)cccc1O 303994669 ULMVBUUIUXWULA-GDBMZVCRSA-N 312.413 3.023 10 10 DGCE CCC[C@H](O)[C@@H](N)c1ccc(OCc2ccccc2)cc1O 397023384 GBVPKWBZBPJIEE-WMZOPIPTSA-N 301.386 3.132 10 10 DGCE COc1ccc(CCN[C@@H](C)c2c(C)cc(C)cc2O)cn1 527989882 HMAYTWOCLCAGKZ-AWEZNQCLSA-N 300.402 3.306 10 10 DGCE COc1ccc(O)c([C@@H](C)NC[C@@H]2CCN2C2CCCC2)c1 528004798 XLDZSUJHIWTLFY-HIFRSBDPSA-N 304.434 3.068 10 10 DGCE C[C@H]1COC[C@@H](C)N1[C@H](C)c1cc(Br)ccc1O 688899666 CTIZEBFMDMLDBO-OUAUKWLOSA-N 314.223 3.325 10 10 DGCE C[C@@H]1O[C@H](C)C[C@H]1N(C)Cc1ccc(Br)cc1O 691677207 MURXDJRQBKAXAV-GBIKHYSHSA-N 314.223 3.152 10 10 DGCE C[C@H](CN(C)Cc1ccccc1)NCc1ccc(F)c(F)c1O 700783831 XVMJKFFTUSGDMC-CYBMUJFWSA-N 320.383 3.281 10 10 DGCE CC(=O)c1cc(F)cc(CN2CCC[C@@]3(CCCOC3)C2)c1O 750837208 IMZLEFNKDICVNY-GOSISDBHSA-N 321.392 3.127 10 10 DGCE C[C@@H](NC(=O)N[C@H]1CC12CCCC2)c1ccc(N(C)C)cc1 759166417 JKSDGSBBDHYWKU-CJNGLKHVSA-N 301.434 3.446 10 10 DGCE CCC1(CC)CN(Cc2c(O)cccc2Cl)CC[S@@]1=O 769558118 SMPCPCJRHRHNTJ-FQEVSTJZSA-N 315.866 3.169 10 10 DGCE CCOC(C)(C)CNCc1cc(C)cc(Br)c1O 780583411 PPFZACUFNREKCR-UHFFFAOYSA-N 316.239 3.368 10 10 DGCE Cc1c[nH]nc1C(=O)NCCc1cc(C)n(-c2ccccc2)c1C 799530764 NIPYPVNINNRZRJ-UHFFFAOYSA-N 322.412 3.098 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)[C@H]1CCOC[C@@H]1C 801549472 PGPFJLRRRWFLFZ-HOCLYGCPSA-N 305.418 3.194 10 10 DGCE CCN(CC)c1ccc(CN2CCC[C@H](C)[C@@H]2C(=O)O)cc1F 818631096 CDUFEHMWMZILSC-SUMWQHHRSA-N 322.424 3.357 10 10 DGCE Cc1ccsc1[C@H](CO)NC/C=C/c1ccc(N(C)C)cc1 835042884 LCVCMXSKROOTOR-BDUNBXCCSA-N 316.470 3.459 10 10 DGCE COCCCn1ccc(NC/C=C/c2ccc(N(C)C)cc2)n1 835043936 WOAGRMUYPPNBTJ-GQCTYLIASA-N 314.433 3.111 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1[C@@H](C)C[C@H]1C 840481408 DMBLHILGLPJQFH-SOUVJXGZSA-N 303.450 3.184 10 10 DGCE COc1ccc(O)c([C@@H](C)Nc2cccc3c2CN(C)C3=O)c1 840856699 JTSDGIJTZAAHGB-LLVKDONJSA-N 312.369 3.160 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)N[C@H]1CCCc2n[nH]cc21 840893779 LSIXVXPUXLNSJB-KSSFIOAISA-N 312.461 3.382 10 10 DGCE CCCNC(=O)C1CCN(Cc2c(O)cc(C)cc2Cl)CC1 840910294 PYNAYPOMZRYNOJ-UHFFFAOYSA-N 324.852 3.092 10 10 DGCE Cc1cc(O)c(CN2CC[C@H](N3CCCC3)[C@@H]2C)c(Cl)c1 840945892 FELNHNXLAMFXCT-BBRMVZONSA-N 308.853 3.413 10 10 DGCE COc1cccc(CN2C[C@H](C)NCc3ccc(F)cc32)c1O 841046695 DPCDSOWRLJFGGX-LBPRGKRZSA-N 316.376 3.038 10 10 DGCE CC1(C)CCC[C@@H]1[C@H]1CCN(C(=O)Cc2ccc(N)cc2)C1 843503298 BPXKBSJCOYTBDF-DOTOQJQBSA-N 300.446 3.486 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCC[C@@H]1C1CC1 843851883 SVIYKVGPTXQDKY-WQVCFCJDSA-N 317.429 3.361 10 10 DGCE Cc1ccc(O)c([C@H](C)NC[C@@]2(CO)CCc3ccccc32)c1 846181536 ZSVJUXTVLXNTHA-MGPUTAFESA-N 311.425 3.228 10 10 DGCE CO[C@](C)(CO)CN[C@H](C)c1ccc(N2CCCCCC2)cc1 848560151 ZEJMOOOCXGBSQH-APWZRJJASA-N 320.477 3.115 10 10 DGCE COc1cccc(O)c1CNCC1(C(=O)OC(C)(C)C)CCC1 850412565 GPGPLGPKUMQQFD-UHFFFAOYSA-N 321.417 3.002 10 10 DGCE COc1ccc(N2CC[C@H](N[C@@H]3CC(C)(C)OC3(C)C)C2)cc1 850489148 RHUKUEQWUOZKKR-WMLDXEAASA-N 318.461 3.210 10 10 DGCE Oc1cc(F)c(Cl)cc1CN1CCO[C@@H](C(F)F)CC1 872257818 XYCXHHKURFXUDV-GFCCVEGCSA-N 309.715 3.041 10 10 DGCE CC(=O)c1c(F)cncc1NCc1ccc(N(C)C)c(F)c1 892131942 RYHQPLKAFXBQEI-UHFFFAOYSA-N 305.328 3.241 10 10 DGCE Cc1cc(CN2CCCC[C@@H]2[C@H]2CCNC2)ccc1N(C)C 923365138 UALFGMBVYOKIOP-PKOBYXMFSA-N 301.478 3.025 10 10 DGCE O=C(C[C@]12CCCC[C@H]1C2(F)F)NCc1c(O)cccc1F 928710104 GWHPHDAMGWHXEY-UKRRQHHQSA-N 313.319 3.363 10 10 DGCE CCn1nc(C)c(NC(=O)NCc2cccc(Cl)c2O)c1C 930665570 CHXVRXNNFAGFAK-UHFFFAOYSA-N 322.796 3.201 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)c1c(C)cccc1F 1116240653 NGWQZQHWIVYVJT-UHFFFAOYSA-N 300.377 3.439 10 10 DGCE Cc1cc(C)cc(C2(C(=O)NCc3c(O)cccc3O)CC2)c1 1178912274 RKAVRXIBYQCEBP-UHFFFAOYSA-N 311.381 3.063 10 10 DGCE C[C@@H](NC(=O)NCc1cc2ccccc2[nH]1)c1ccccc1O 1248680409 IRTSQZFLMAXHCT-GFCCVEGCSA-N 309.369 3.434 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)c2ccc3cccnc3c2)c1 1294936364 GDBSCSCPHLKPBZ-GFCCVEGCSA-N 322.364 3.440 10 10 DGCE CCC1(CC)[C@@H](NC(=O)N[C@H](C)c2ccccc2O)C[C@H]1OC 1564411064 CFTHRYDYTIROAV-UHOFOFEASA-N 320.433 3.346 10 10 DGCE C[C@@H](NC(=O)/C=C/c1ccc(Cl)nc1)c1ccccc1O 1587447269 NJOWNHLIRBBHSV-MXMFLMJRSA-N 302.761 3.331 10 10 DGCE C[C@H](NC(=O)c1ccc(CN2CCCC2)o1)c1ccccc1O 1632255726 ULGSKEIUNRCHGU-ZDUSSCGKSA-N 314.385 3.072 10 10 DGCE CC(C)N1CCC[C@H]1C(=O)NCc1c(O)ccc2ccccc12 1635969293 OEXAOBKGCPNJHI-KRWDZBQOSA-N 312.413 3.034 10 10 DGCE CCCOc1ccc(/C=C2/C(=O)N(C)N=C2CC)cc1OCC 1865666436 KZMRHZLJPKGDOZ-SDNWHVSQSA-N 316.401 3.496 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1[C@H]2CCC[C@@H]1COC2 1900731492 OGQYFYRNXLEZPA-TXEJJXNPSA-N 302.201 3.452 10 10 DGCE CCCN(c1ccc([C@H](C)O)c(Br)c1)C1COC1 1915724413 VBMAXSLCDAEMKH-JTQLQIEISA-N 314.223 3.118 10 10 DGCE CCN(CCSC)c1ccc(CN)cc1Br 1917005537 UMYUPYWGODRFMS-UHFFFAOYSA-N 303.269 3.097 10 10 DGCE CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@H](N)c1ccccc1O 1928475643 ZWAIXAAFKSWJBC-ZFWWWQNUSA-N 308.422 3.331 10 10 DGCE C[C@@H](N(C)c1ccc(CO)c(Br)c1)C(F)(F)F 1946342533 UKNFQUWXLAEEKE-SSDOTTSWSA-N 312.129 3.328 10 10 DGCE CC(C)(C)OC(=O)N[C@@H](COc1ccc(N)cc1)C1CCC1 1952299080 RXUICSPBEBGUPO-HNNXBMFYSA-N 306.406 3.341 10 10 DGCE CC(C)(C)OC(=O)N1CCN(CCN=[N+]=[N-])[C@@H](C(C)(C)C)C1 1962304127 LRNRKCOWGKEZMY-GFCCVEGCSA-N 311.430 3.264 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1CCCN(Cc2ccc(N)cc2)C1 1977925306 JXJOGKRFOZUTCM-HNNXBMFYSA-N 319.449 3.006 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCCN2c1ccc(N)cc1 1977977449 CDEUGXJSOOBIEM-HOTGVXAUSA-N 317.433 3.247 10 10 DGCE CN(C)c1ccc([C@@H](O)C[C@@H]2CCN2C(=O)OC(C)(C)C)cc1 1979100922 GWCFRGJSCCGRON-HOTGVXAUSA-N 320.433 3.186 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCN(CCN=[N+]=[N-])C1 1982242444 NOVDXTGGMSOVNF-ZIAGYGMSSA-N 323.441 3.408 10 10 DGCE C[C@@H]1C[C@@H](N(C)c2ccc(CN)c(Br)c2)CS1 2015477624 BXPNSBGBUSEYGJ-BXKDBHETSA-N 315.280 3.238 10 10 DGCE CN(Cc1ccc(N)cc1)Cc1cccc(Br)n1 2031616480 SMHLGMOCOIXVCC-UHFFFAOYSA-N 306.207 3.058 10 10 DGCE CCOC(=O)c1cc(C)nn1[C@H](C)c1cc(C)c(C)cc1O 2069874926 ULQGSJKSQSKIJE-CYBMUJFWSA-N 302.374 3.300 10 10 DGCE Oc1cc(O)c(Cn2ncc(C3CCCC3)c2Cl)c(O)c1 2070222660 XEXRVLSCEOYBMV-UHFFFAOYSA-N 308.765 3.359 10 10 DGCE Oc1cccc(F)c1Cn1nc(C2CC2)c(O)c1C(F)(F)F 2079110691 DGFQIHYEIHBNDB-UHFFFAOYSA-N 316.254 3.378 10 10 DGCE CCN[C@H](CC1OCCO1)c1ccc(N2CCCCC2)cc1 2106822693 HUXJCVJMBDRNFX-QGZVFWFLSA-N 304.434 3.091 10 10 DGCE CN(C[C@@H]1C2C[C@@H]3C1[C@@H]3C2)c1ccc(CN)cc1Br 2134485148 JVRGEOSTQCFHJF-AQCKVWFBSA-N 321.262 3.246 10 10 DGCE CO[C@@H]1CCC[C@@H](N(C)c2cc(Cl)c(CN)cc2F)C1 2187274435 ZFOJWBIRKMEIMZ-VXGBXAGGSA-N 300.805 3.332 10 10 DGCE CSc1ncc(CNC[C@@H]2CCCCC[C@H]2CO)s1 2269314271 SENCTJXDWDTHRB-RYUDHWBXSA-N 300.493 3.143 10 10 DGCE CCCNC(C)=C1C(=O)N(c2nc3ccccc3s2)N=C1C 2297317650 BRCMTYWHBUUPCB-UHFFFAOYSA-N 314.414 3.292 10 10 DGCE Cc1ccc(CN2C[C@@H]3[C@@H](C2)C3(F)F)c(O)c1Br 2327609519 OBULKPONUVSQLN-NXEZZACHSA-N 318.161 3.160 10 10 DGCE Cc1ccc(CNC(=O)[C@@H]2CC[C@@H]2C)c(O)c1Br 2327799058 PZBCMZKTNZOGSQ-GZMMTYOYSA-N 312.207 3.125 10 10 DGCE Cc1c(Cl)cccc1N=NN1CCN(c2ncccn2)CC1 2330173567 LQMPCGGDOONYAR-UHFFFAOYSA-N 316.796 3.259 10 10 DGCE CC[C@H](C)CN(C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 110326267 LVXHVDPTQTUWNY-JCVNQNCUSA-N 316.445 3.041 10 10 DGCE CCN(CC)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2 304339313 OPAZJUYYWIKLIW-UHFFFAOYSA-N 319.449 3.408 10 10 DGCE CCN(C)c1ccc([C@H](C)NCc2nnc3ccccn23)cc1 183822554 UOZLZGBYGKMMLG-AWEZNQCLSA-N 309.417 3.036 10 10 DGCE CCO[C@@H]1C[C@@H](N[C@H](C)c2cc(C)ccc2O)C12CCOCC2 248647952 UHNUVZWJZQHHBH-ZTFGCOKTSA-N 319.445 3.325 10 10 DGCE C[C@H](N[C@H]1CCO[C@@]2(CCSC2)C1)c1ccc(N(C)C)cc1 246569857 XVWIDHYURJXJHZ-ZVZYQTTQSA-N 320.502 3.458 10 10 DGCE CCOC(=O)c1ccc(CNCc2cccc(Cl)c2O)o1 809742651 CJVLHSBLOYLFJT-UHFFFAOYSA-N 309.749 3.105 10 10 DGCE C[C@H]1CO[C@@H](C(F)(F)F)CN1Cc1ccc(N(C)C)c(F)c1 809697290 ZCXLJHQXNGIZCD-IINYFYTJSA-N 320.330 3.043 10 10 DGCE COc1cnc(NCc2cc(Cl)cc(Cl)c2O)nc1 811837356 JBMDNFYSQDXBIG-UHFFFAOYSA-N 300.145 3.110 10 10 DGCE COC(=O)[C@H](CC(C)C)N(C)Cc1c(O)ccc(Cl)c1F 814179623 WJIHSNMCOOSMFH-LBPRGKRZSA-N 317.788 3.204 10 10 DGCE CC[C@H](N[C@H]1CCNC[C@@H]1C)c1ccc(C(F)(F)F)cc1O 817970463 WHNOJOHECDPVTQ-BPNCWPANSA-N 316.367 3.450 10 10 DGCE Cc1cccnc1/C=C\C(=O)N(C)Cc1ccc(N(C)C)cc1 588454852 MFOBOEFESXIEQG-QXMHVHEDSA-N 309.413 3.128 10 10 DGCE C[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCCO1 906434601 SNGQVGRAXXERTH-QAPCUYQASA-N 316.445 3.108 10 10 DGCE CN(C)c1ccc(/C=C/CNC[C@@](C)(O)c2ccsc2)cc1 835039770 JIPSDFGJERAJFJ-SHCNBLLESA-N 316.470 3.325 10 10 DGCE COc1ccc([C@@H]2C[C@H]2CC(=O)NCc2ccccc2O)cc1 830526020 ARKFBYZLRDMLCP-RDJZCZTQSA-N 311.381 3.211 10 10 DGCE Cc1cc(O)c(CN2CCS[C@@H]3COCC[C@@H]32)c(Cl)c1 840923295 SALKZICBNCIJRA-DZGCQCFKSA-N 313.850 3.060 10 10 DGCE CC[C@H](NCCc1cc(C)n(C)n1)c1cccc(Cl)c1O 926912181 UJUZMVFZVIHOKC-HNNXBMFYSA-N 307.825 3.371 10 10 DGCE CN(C)c1ccc(/C=C\CNCc2ccc3c(c2)ncn3C)cc1 922482580 TYZMZLIKSDJSSV-PLNGDYQASA-N 320.440 3.442 10 10 DGCE COc1ccc(N2CC[C@H](N[C@H](C)c3csc(C)n3)C2)cc1 850489142 RFPDRPQXVOEEQJ-OCCSQVGLSA-N 317.458 3.390 10 10 DGCE Nc1ccc(CNC(=O)[C@H]2[C@H]3c4cccc(Cl)c4C[C@H]32)cc1 859594045 OIIZKRBMPRNIMK-HYVNUMGLSA-N 312.800 3.124 10 10 DGCE C[C@H](NCCN1[C@H](C)CCC[C@H]1C)c1cc([N+](=O)[O-])ccc1O 756555696 UVHLGHRHYCDPEM-MCIONIFRSA-N 321.421 3.214 10 10 DGCE O=C(Nc1ccc([C@H]2CCOC2)cc1)N1Cc2cccc(O)c2C1 931563172 SLOIPRIYZMNAFR-HNNXBMFYSA-N 324.380 3.444 10 10 DGCE FC(F)(F)[C@H](NCc1ccc2c(c1)CCO2)c1nccs1 862431581 KWMUAAPVHINVHC-GFCCVEGCSA-N 314.332 3.471 10 10 DGCE C/C=C\C[C@@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 863820393 YEMFOPBBBSQJIW-KLVINZEESA-N 301.386 3.316 10 10 DGCE COc1cccc([C@@H](C)NCc2cccc3c2CCOC3)c1O 866478135 FAMHXHJKZRYCEH-CYBMUJFWSA-N 313.397 3.324 10 10 DGCE CC(C)(C)OC(=O)N1CCCCC(=O)[C@@H]1c1cc(N)ccc1O 1952995134 GEBMELCYEMYBJU-HNNXBMFYSA-N 320.389 3.006 10 10 DGCE Cc1occc1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 1136486053 WTXVQEQTPBMAEM-UHFFFAOYSA-N 300.318 3.023 10 10 DGCE C[C@@]1(CNCc2cc(F)ccc2O)OCCc2ccccc21 895639821 PBTODFUYKGVVBN-SFHVURJKSA-N 301.361 3.109 10 10 DGCE OC[C@H]1C[C@H]2CC[C@H]1N(Cc1cc(Cl)cc(Cl)c1O)C2 895925247 YYHZMTXNMIYVDV-GLXFQSAKSA-N 316.228 3.292 10 10 DGCE COc1ccc2c(c1)N(C(=O)/C=C/c1cncc(F)c1)CCC2 1131431733 GAQJLQBAEFKHLS-QPJJXVBHSA-N 312.344 3.222 10 10 DGCE CCc1ccc([C@H](C)CC(=O)NCc2c(O)cccc2O)cc1 1156881346 ZOFIGCGPAZYJQC-CYBMUJFWSA-N 313.397 3.470 10 10 DGCE NCc1ccc(N2CCC[C@@H](CCF)C2)cc1Br 689377835 MZIJCUKZLTUIFQ-NSHDSACASA-N 315.230 3.484 10 10 DGCE C[C@@H](N)c1ccc(N2CCC(F)CC2)c(Br)c1 689408968 SHPAVAQMRHEPIR-SECBINFHSA-N 301.203 3.407 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@H](C)[C@@H]1C 1312883407 CSFTWNQSEFTRLL-BPUTZDHNSA-N 317.477 3.432 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)c1c[nH]cc1C1CC1 1162612593 MRVHBLAUMSVRFG-UHFFFAOYSA-N 307.353 3.076 10 10 DGCE CSc1cccc(F)c1C(=O)NCc1c(O)cccc1F 1178413691 WJVXDWNLCRDFKW-UHFFFAOYSA-N 309.337 3.322 10 10 DGCE C[C@]1(C(F)F)CN(Cc2ccc(N3CCCC3)cc2)CCO1 1330219522 DKQPJUIXKKTGIT-QGZVFWFLSA-N 310.388 3.143 10 10 DGCE CCNCc1ccc(N(Cc2ccccc2)[C@H](C)CO)c(F)c1 1914367058 WMJAIJLWIADJBD-OAHLLOKOSA-N 316.420 3.323 10 10 DGCE C[C@@H](NC(=O)/C=C/c1ccnc(Cl)c1)c1ccccc1O 1454806735 MULGFPJSKBURCY-XUIVZRPNSA-N 302.761 3.331 10 10 DGCE CCN(CCC(=O)OC)Cc1ccc(N2CCCCC2)c(C)c1 1473132814 IGUWYBQTWCXWDZ-UHFFFAOYSA-N 318.461 3.370 10 10 DGCE O=C(/C=C/c1cccnc1)N1CCCc2c1cc(F)c(F)c2F 1544733755 LNMALXKDXUWBNX-AATRIKPKSA-N 318.298 3.492 10 10 DGCE COc1ccc(CN[C@H](C)CCNC(=O)C2(C)CCC2)cc1C 1714485480 TVJNVALZOKQPNH-OAHLLOKOSA-N 318.461 3.178 10 10 DGCE COC(=O)Nc1cccc(C(=O)N[C@H](C)c2ccccc2O)c1 1642827656 NTQGFUKKXNYRHD-LLVKDONJSA-N 314.341 3.062 10 10 DGCE COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@H]1C[C@@H]2C[C@@H]2C1 1657602962 PATPTCQAJURIRE-CLLJXQQHSA-N 323.820 3.067 10 10 DGCE CN[C@@H](c1ccccc1O)[C@H](NC(=O)OC(C)(C)C)C(C)C 1928476999 OXNJXDMWCJZTEH-CABCVRRESA-N 308.422 3.202 10 10 DGCE CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1ccccc1O 1928471108 IFHIHRDQBIWLLY-ZFWWWQNUSA-N 308.422 3.346 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]1CC[C@H](N)c1ccccc1O 1960442254 DLHVQDKYXNEZDG-JSGCOSHPSA-N 306.406 3.182 10 10 DGCE C[C@@H](NC(=O)Cc1ccc(N)cc1)c1ccc(F)c(Cl)c1 152744309 MUNRWUXXSAYYTH-SNVBAGLBSA-N 306.768 3.481 10 10 DGCE CN[C@H](C)c1ccc(N2CC(OCc3ccccc3)C2)cc1O 1977123008 FFHBLRQXPHHCCF-CQSZACIVSA-N 312.413 3.078 10 10 DGCE [N-]=[N+]=NC1CCN(Cc2csc(Br)n2)CC1 1981444684 WETLDBXPWHZXBG-UHFFFAOYSA-N 302.201 3.180 10 10 DGCE C[C@@H](O)c1ccc(N(C)C[C@@H]2C[C@H]2F)c(Br)c1 2014705547 VYJKKIFTANIOQR-UBHAPETDSA-N 302.187 3.297 10 10 DGCE CCN(CCCCO)c1ccc([C@H](C)N)c(Br)c1 2041181289 VHFTWZMAAAHRFX-NSHDSACASA-N 315.255 3.068 10 10 DGCE CN1CCc2cc([C@@H](N)[C@@H](O)c3cscc3Cl)ccc21 2163135491 KDQDSPVJQOJZLC-CABCVRRESA-N 308.834 3.127 10 10 DGCE C[C@H](N)c1ccc(N(C)[C@@H](C)C(C)(C)O)c(Br)c1 382814947 SGNPMIOICBREDC-UWVGGRQHSA-N 315.255 3.064 10 10 DGCE CSc1cnn(Cc2cccc(C(F)(F)F)c2O)c1O 2070279063 UBNANLKCGZFXCJ-UHFFFAOYSA-N 304.293 3.083 10 10 DGCE CN[C@H](C)c1ccc(N(C)[C@H](CCO)C(F)F)c(Cl)c1 2178502381 YVACMDWLTXOJEU-NOZJJQNGSA-N 306.784 3.073 10 10 DGCE Cc1cc(O)c(CNC2CCC3(CC2)OCCO3)c(Cl)c1 1560271702 XUDNRQQAFDDGRY-UHFFFAOYSA-N 311.809 3.129 10 10 DGCE CNCc1cc(F)c(N(C)[C@@H]2CCCS[C@@H]2C)c(F)c1 2197305013 IIAAXRPLTFVPQF-QMTHXVAHSA-N 300.418 3.405 10 10 DGCE C[C@H](F)CN1CCN([C@H](C)c2cc(Cl)ccc2O)CC1 2189987196 YZVSANFQOXAWEC-NWDGAFQWSA-N 300.805 3.082 10 10 DGCE Oc1cccc(Br)c1CN[C@@H]1[C@@H]2CCC(F)(F)[C@H]21 2051233306 YXUFTICOKBIJGT-NZXMKCKXSA-N 318.161 3.288 10 10 DGCE NCc1ccc(N2CC(C3CCC3)C2)c(F)c1Br 2052005105 FJDIQFGESOFIPF-UHFFFAOYSA-N 313.214 3.283 10 10 DGCE CO[C@@H](CN(C)c1ccc(CN)c(Br)c1)C(C)C 2068259683 MRSKLJGUQOXRFF-AWEZNQCLSA-N 315.255 3.015 10 10 DGCE CCn1nc(Br)cc1N(C)Cc1ccccc1O 2219723574 KJJXIEPNOOFSPA-UHFFFAOYSA-N 310.195 3.008 10 10 DGCE CSc1ncc(CNCc2noc(C3CCCC3)n2)s1 2284496831 BZHOMSPUWAZTGS-UHFFFAOYSA-N 310.448 3.195 10 10 DGCE CC[C@]1(C)CN(Cc2cnc(SC)s2)[C@H](C(C)C)CN1 2284676324 HTALJDJKPKMMLG-DZGCQCFKSA-N 313.536 3.464 10 10 DGCE CSc1ncc(CNCc2c(C)nc3sc(C)cn23)s1 2284687965 IRQNEXZPICGMKJ-UHFFFAOYSA-N 324.500 3.481 10 10 DGCE CCN(CC)c1ccc(C=Cc2nc(O)c3cnn(C)c3n2)cc1 2297353472 GHKIIDIBRKFEOT-UHFFFAOYSA-N 323.400 3.086 10 10 DGCE CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNCc1ccco1 2297361565 OCBOYPKOWKWWOW-UHFFFAOYSA-N 315.760 3.329 10 10 DGCE CC1=NN(c2cccc(C(=O)O)c2)C(=O)C1=Cc1ccc(C)o1 2297560960 BAPAHIYZIQENRA-UHFFFAOYSA-N 310.309 3.092 10 10 DGCE CC1CCN(c2ccc(N=NN3CCN(C)CC3)cc2)CC1 2330216992 FRZRREKWRXTLRY-UHFFFAOYSA-N 301.438 3.169 10 10 DGCE Nc1ccc(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 37029813 PQKBUIQCCUPDOE-UHFFFAOYSA-N 305.721 3.012 10 10 DGCE Cc1ccc([C@@H](C)Nc2ccccc2S(C)(=O)=O)c(O)c1 37075781 AKJXGODTXFZVAA-GFCCVEGCSA-N 305.399 3.277 10 10 DGCE CC[C@H](NCCN(C)CC)c1cc(Br)ccc1O 54109931 WUFRGCCYVKNGIS-ZDUSSCGKSA-N 315.255 3.147 10 10 DGCE c1ccc(-n2cc(CNCc3ccc4c(c3)CCO4)cn2)cc1 54173972 SVURYUQUNOUCNI-UHFFFAOYSA-N 305.381 3.097 10 10 DGCE CCN(c1ccc(N)cc1)S(=O)(=O)c1cc(C)ccc1C 63114504 BBAZQZSTRNBZHM-UHFFFAOYSA-N 304.415 3.101 10 10 DGCE COC(=O)Cc1nc2cc(C)ccn2c1/N=N\c1ccc(O)cc1 71583207 CGUNUSOSFSCMOI-VXPUYCOJSA-N 324.340 3.479 10 10 DGCE CCNCc1ccc(OC)c(C[S@@](=O)CC2CCCC2)c1 84057900 YJCSHHCWPXYIOK-OAQYLSRUSA-N 309.475 3.244 10 10 DGCE CN[C@H]1C(=O)Nc2cc(N3CCC(C)(C)CC3)c(Cl)cc21 92751743 AYKJGSBOEIAWCL-CQSZACIVSA-N 307.825 3.179 10 10 DGCE CC(C)N(Cc1ccc(N)cc1)c1ncc(Br)cn1 111751211 KNKDBIFUGTWSMQ-UHFFFAOYSA-N 321.222 3.236 10 10 DGCE C[C@H]1Cc2ccccc2[C@H]1NC(=O)N(C)Cc1ccccc1O 111900053 DDUXXXFPXFBJQY-UGSOOPFHSA-N 310.397 3.467 10 10 DGCE C[C@@H](c1cc(Cl)ccc1O)N1CCN(CC(F)(F)F)CC1 134091156 GSXRLVNEFSMRAC-JTQLQIEISA-N 322.758 3.287 10 10 DGCE OC1C[C@@H]2CC[C@H](C1)N2c1ccc(CNC2CC2)cc1Cl 164085737 OERDHDFECLJANQ-YIONKMFJSA-N 306.837 3.084 10 10 DGCE Cc1cnn([C@H]2CCCN(Cc3cccc(Cl)c3O)C2)c1 180140757 VGGHVJMUJQFXTP-AWEZNQCLSA-N 305.809 3.388 10 10 DGCE Cc1cccc2c1OCC[C@H]2NCc1cc([N+](=O)[O-])ccc1O 188875435 SNJNUZHGPFBCAE-OAHLLOKOSA-N 314.341 3.222 10 10 DGCE CC[C@@H](N)c1cc(Br)c(Br)cc1O 238269739 PIVSGRAKVJBRCG-MRVPVSSYSA-N 309.001 3.327 10 10 DGCE CCOC[C@H](C)N[C@@H](C)c1cc(Br)ccc1O 779071479 GIRYJYQWERHSCX-UWVGGRQHSA-N 302.212 3.230 10 10 DGCE COC(=O)[C@H](C1CC1)N(C)Cc1ccc(N2CCCCC2)cc1 782034552 WCUSSEHGRVOFDX-SFHVURJKSA-N 316.445 3.060 10 10 DGCE COc1cc(Br)cc(CN[C@H]2CC[C@H]2C)c1O 796525189 BRZJMUSOTDHQEM-KCJUWKMLSA-N 300.196 3.051 10 10 DGCE CCOC(=O)CC(C)(C)CN(C)Cc1ccc(N(C)C)cc1 813334464 KTBBDMGQHLMPRI-UHFFFAOYSA-N 306.450 3.164 10 10 DGCE C[C@@H](N[C@H]1CNCCC1(F)F)c1cccc(C(F)(F)F)c1O 817981054 PKFOQNNQCIKJRW-KCJUWKMLSA-N 324.293 3.059 10 10 DGCE C[C@@H](N[C@H]1CCCCNC1)c1cc(Cl)c(Cl)cc1O 817984321 QJUSUAYEBBCWJN-ZJUUUORDSA-N 303.233 3.492 10 10 DGCE CCN(CC)c1ccc(CNC(=O)C[C@@H](C)[C@@H]2CCCO2)cc1 822608834 YNVCLGTVEADRSP-QAPCUYQASA-N 318.461 3.354 10 10 DGCE CN(C)c1ccc(/C=C\CNCCCOCC(F)(F)F)cc1 835034741 AWLCZOBJGVDJLI-HYXAFXHYSA-N 316.367 3.324 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(C)C1CCC1 840478986 KWIGLRIUIMFYQV-AWEZNQCLSA-N 303.450 3.186 10 10 DGCE COc1ccc(F)c(/C=C2\SC(=S)N(C3CC3)C2=O)c1 841494894 DSCCJROTAHWIHU-GHXNOFRVSA-N 309.387 3.198 10 10 DGCE C[C@@H]1c2ccsc2CCN1C(=O)NCCc1ccc(N)cc1 841961580 FIXYLXHLAABTJK-GFCCVEGCSA-N 315.442 3.202 10 10 DGCE COc1ccc(N2CC[C@H](COC(=O)/C=C/C3CC3)C2)cc1 842880027 VPZSMLOHALLMGB-ULYATVDSSA-N 301.386 3.031 10 10 DGCE C[C@H](N[C@@H](c1ccccc1)[C@H](C)O)c1cc([N+](=O)[O-])ccc1O 850585554 ZICAIELZHGXLHW-NVGCLXPQSA-N 316.357 3.073 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)CC3CCCCC3)C2)cc1 855229198 LAOFVLTWVWOXHT-MRXNPFEDSA-N 316.445 3.361 10 10 DGCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2C[C@H](C)[C@@H]2C)c1 861837162 QSYKWUAQODXPLW-JSGCOSHPSA-N 310.397 3.387 10 10 DGCE Oc1ccc(Cl)c(F)c1CNc1cccc(-n2nccn2)c1 864043628 MSVYAMVTFLZURO-UHFFFAOYSA-N 318.739 3.378 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NCc1cn(C2CC2)cn1 865603824 NAPCSSLUYDDHPS-HNNXBMFYSA-N 312.461 3.313 10 10 DGCE CCN(CC)c1ccc(CNc2ccn(CCF)n2)cc1F 865837515 OIIYGFHOLIWBLS-UHFFFAOYSA-N 308.376 3.450 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)[C@H]1CC[C@H]2CCCCN21 901053843 SOZJXUBMOCUUMN-IAGOWNOFSA-N 316.445 3.148 10 10 DGCE CN(C)c1ccc(/C=C/CNCc2cc(C3CC3)nn2C)cc1 922946597 BENFMAAQEMVFSQ-SNAWJCMRSA-N 310.445 3.167 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@H](C2CC2)[C@H]2CCCOC2)c1 927071222 XJPPBNIJJZDYHY-XAYKYTGQSA-N 305.418 3.257 10 10 DGCE CCn1cc(Cl)c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1 1269587117 CATGSKAZWRMOTR-LLVKDONJSA-N 320.824 3.113 10 10 DGCE CC[C@H](C)CC(=O)NCC1(NCc2ccc(OC)c(C)c2)CC1 1323435907 QCWJTAUCUBKMAB-AWEZNQCLSA-N 318.461 3.178 10 10 DGCE COC(=O)c1cc(Cl)cc(NC(=O)c2cc(O)cs2)c1 1465268953 ISPZAWYJWLWHRW-UHFFFAOYSA-N 311.746 3.146 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)CN(C)CC(C)(C)C 1542371046 OYJXFFVQXNNSMB-UHFFFAOYSA-N 319.493 3.079 10 10 DGCE C[C@@H](Cc1ccccc1Cl)C(=O)NCc1cc(O)ccc1O 1558175392 OWBHKRFZYIUZRC-NSHDSACASA-N 319.788 3.246 10 10 DGCE COc1ccc2[nH]cc(C3=CCN(c4nccnc4F)CC3)c2c1 1559074146 GTJXAZHFIZGJOS-UHFFFAOYSA-N 324.359 3.399 10 10 DGCE COc1ccc(CNCC[C@@H]2[C@@H](C)CCCN2C(C)=O)cc1C 1691983273 XADUODWETDRLTP-KBXCAEBGSA-N 318.461 3.130 10 10 DGCE CC[C@H](CNC(=O)C1(C)CCC1)NCc1ccc(OC)c(C)c1 1698610401 QIQHLJAQCUFVFH-MRXNPFEDSA-N 318.461 3.178 10 10 DGCE Cc1nsc(Br)c1C(=O)Nc1ccc(N)cc1 1912937808 KQMSMXROODLRSF-UHFFFAOYSA-N 312.192 3.049 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[C@@H](N)c1ccccc1O 1928473796 FUZCLZFWBXDYSL-UXIGCNINSA-N 306.406 3.085 10 10 DGCE Oc1c(Br)cccc1CNCC[C@H]1C[C@H](F)C1 1947687969 BTNFIKWZUKDHID-HOMQSWHASA-N 302.187 3.383 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CCO[C@@H]1CCCc1ccc(N)cc1 1952924571 FRCKGMQKCAFOSG-JKSUJKDBSA-N 320.433 3.274 10 10 DGCE Nc1ccc(N[C@H]2CC[C@@H]2NC(=O)OCc2ccccc2)cc1 1954645113 XMBCVZDUSBTSQM-IRXDYDNUSA-N 311.385 3.138 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CCCN(CCCCN=[N+]=[N-])CC1 1962287917 OPKLWBFHWRMKOU-ZDUSSCGKSA-N 311.430 3.456 10 10 DGCE CC[C@H]1COCCN(Cc2cc(Br)ccc2O)C1 1964592899 AOQJSUGXZMIGPA-LLVKDONJSA-N 314.223 3.013 10 10 DGCE CO[C@H]1C[C@@H](CCNCc2cc(Br)ccc2O)C1 1974341188 PKWDAKANSCEQDT-GSJFWJNXSA-N 314.223 3.059 10 10 DGCE CC(C)(C)OC(=O)NCC[C@@H]1CCN(Cc2ccc(N)cc2)C1 1977891684 DIGDYNZLHYRACI-OAHLLOKOSA-N 319.449 3.006 10 10 DGCE CN(C)c1ccc(C2(N)CCN(Cc3ccccc3)CC2)cc1 1977956655 ANDCXVBRUPKAQO-UHFFFAOYSA-N 309.457 3.203 10 10 DGCE Cc1sc(Br)nc1CN(C)CCCN=[N+]=[N-] 1981443351 ATDQKZGEUOOJQN-UHFFFAOYSA-N 304.217 3.346 10 10 DGCE CN(C)c1ccc([C@@H](N)c2csnc2Br)cc1 1999506477 QUGBRRLXSLFQEZ-LLVKDONJSA-N 312.236 3.020 10 10 DGCE CC[C@](C)(COC)NCc1cc(Br)cc(F)c1O 2067436187 DIVZFTVMVXRJME-CYBMUJFWSA-N 320.202 3.199 10 10 DGCE CC[C@@]1(C)C[C@H](NCc2cccc(Br)c2O)CO1 2069117215 JLCLOCRMOPOPGC-FZMZJTMJSA-N 314.223 3.202 10 10 DGCE Nc1c(Br)cc(F)cc1NCc1ccccc1O 2071646377 OLECWCDLTGOQCB-UHFFFAOYSA-N 311.154 3.488 10 10 DGCE C[C@@H](O)c1ccc(N(C)Cc2ccno2)cc1Br 2082490707 ZSKAZVVBQVRWTL-SECBINFHSA-N 311.179 3.127 10 10 DGCE C[C@@H]1CC[C@@](O)(CNCc2cc(Cl)cc(Cl)c2O)C1 2136895309 WNVBRARGJZXHPN-OTYXRUKQSA-N 304.217 3.340 10 10 DGCE Oc1cc(Cl)ccc1CN[C@@H]([C@H]1CCOC1)C(F)(F)F 2146308042 HZRWTXOPBIBGQX-CABZTGNLSA-N 309.715 3.103 10 10 DGCE Nc1ccc(OCCC(=O)NCc2cc(Cl)cs2)cc1 2150416992 XIUJPPBTRGPMJB-UHFFFAOYSA-N 310.806 3.069 10 10 DGCE Oc1cc2c(cc1CNc1ccc(Cl)nc1Cl)OCO2 2198296272 WFYXRVJPJYVBSN-UHFFFAOYSA-N 313.140 3.435 10 10 DGCE Cc1ccc(Br)c(C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])n1 2225797775 GYGFPICIQHTPTI-NXEZZACHSA-N 324.182 3.114 10 10 DGCE CC1(C)CCC(S(=O)(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])CC1 2239980890 FBQJQEQYTRRXLA-VXGBXAGGSA-N 300.428 3.106 10 10 DGCE C[C@@H](CCNCc1cccc(Br)c1O)OC(F)F 2261307796 JPVXSKLDFFRSHH-QMMMGPOBSA-N 324.165 3.262 10 10 DGCE CSc1cccc(N(C)C(=O)C=Cc2cnn(C)c2C)c1 2304163236 AWVWAYWLTDOTFT-UHFFFAOYSA-N 301.415 3.127 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)NCc1ccc(Cl)s1 2307990257 DAGXIGIEPINIPV-UHFFFAOYSA-N 309.774 3.142 10 10 DGCE Cc1cccc2nc(C(=O)O)c(N=Nc3cccc(C(=O)O)c3)n12 2320771571 QDBHWCVXYSLVQW-UHFFFAOYSA-N 324.296 3.455 10 10 DGCE Cc1ccc(CNCc2cccnc2)c(O)c1Br 2327621318 LYDLWLPLYFFSEB-UHFFFAOYSA-N 307.191 3.148 10 10 DGCE CCc1cccc(C)c1N=NN1CCN(c2ncccn2)CC1 2330206291 BOSNMANBDIRBGH-UHFFFAOYSA-N 310.405 3.168 10 10 DGCE CCCN1N=C(C)C(=Cc2cccc(OC)c2OCC)C1=O 2332117415 DPZULXACSIUWHE-UHFFFAOYSA-N 302.374 3.105 10 10 DGCE Nc1ccc(NC(=O)c2cccc(Br)c2F)cc1 236363242 MCDWKVBBWPPZPZ-UHFFFAOYSA-N 309.138 3.423 10 10 DGCE CC(C)c1nc2c(n1C)CCN(Cc1cccc(Cl)c1O)C2 180157116 QPMBFRXXMNRCES-UHFFFAOYSA-N 319.836 3.461 10 10 DGCE CC(C)c1ccc(/C=C2/SC(=S)N(CCO)C2=O)cc1 210386247 UHQMOHPNUPTJRO-UKTHLTGXSA-N 307.440 3.004 10 10 DGCE COc1ccc(N2CCN([C@@H](C)c3ccncc3)CC2)c(F)c1 71702687 DDKBRFDCGYKTFB-AWEZNQCLSA-N 315.392 3.113 10 10 DGCE O=C(/C=C\c1cnc2ccccc2n1)N1CCc2ccc(F)cc21 255776258 VXLBAUFWZLNPMF-FPLPWBNLSA-N 319.339 3.371 10 10 DGCE Cc1cc(/C=C\C(=O)N[C@H]2CCOC2)c(C)n1-c1ccccc1 255294317 VWKFZTPLQWVRRA-JJEJIETFSA-N 310.397 3.012 10 10 DGCE COc1ccccc1N1CC[C@H](N[C@@H]2CCc3cccc(O)c32)C1 297608314 IJEATCXUEGJOFQ-JKSUJKDBSA-N 324.424 3.257 10 10 DGCE CCc1ccc(CN(C)c2cc(OC)c(OC)c(OC)c2)nc1 815053361 PVSIITYDKJYVRN-UHFFFAOYSA-N 316.401 3.306 10 10 DGCE O=C(NCCCSc1nccs1)N[C@@H]1CC[C@@H]2C[C@@H]2C1 826692646 JKBKEWQQLNPOOJ-IJLUTSLNSA-N 311.476 3.113 10 10 DGCE CC[C@@H](CC(F)F)C(=O)N[C@@H](C)c1cc(OC)ccc1O 837485957 SIEBGBPIWVHERH-UWVGGRQHSA-N 301.333 3.259 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCC3(CCOCC3)C2)cc1 835028302 LVSIJBNQAPSYQW-ARJAWSKDSA-N 300.446 3.268 10 10 DGCE CCN(CC)C(=O)CCCNC/C=C/c1ccc(N(C)C)cc1 835035223 IGRHSMMEYAWKDR-VQHVLOKHSA-N 317.477 3.004 10 10 DGCE C[C@@H]1CC[C@H](C(=O)O)N1Cc1ccc(N2CCCCC2)cc1 844936739 WQGJOYXLHVOWRE-RHSMWYFYSA-N 302.418 3.114 10 10 DGCE C[C@@H](NCC1(O)CCC(F)(F)CC1)c1ccc(N(C)C)cc1 850565751 GQMGUGITGSOZKQ-CYBMUJFWSA-N 312.404 3.344 10 10 DGCE COC[C@H](N[C@@H]1C[C@H](C)c2c(F)ccc(O)c21)C1CCOCC1 850493427 HLZZILOLODHXAZ-GLQYFDAESA-N 323.408 3.111 10 10 DGCE Cc1cc(O)c(CNC[C@@H]2CCCN2CC(F)F)c(Cl)c1 858232056 SHFNOXBKLRNYQW-NSHDSACASA-N 318.795 3.173 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)C1CCC(F)(F)CC1 862026883 BMKTUTZNVYUCJB-UHFFFAOYSA-N 320.339 3.382 10 10 DGCE C[C@@H]1C[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)[C@@H](C)O1 868357429 XJQMULFTLTYFSA-SOCHQFKDSA-N 318.200 3.129 10 10 DGCE Cc1ccnc(CN(C)Cc2ccccc2O)c1Br 876615571 ICHNIOHNXNFPNH-UHFFFAOYSA-N 321.218 3.490 10 10 DGCE Cc1oc2ccccc2c1CCNC(=O)c1cc(O)cs1 768731141 XLEAIHLNUGGTQT-UHFFFAOYSA-N 301.367 3.481 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCO[C@@H](C2CC2)C1 777223175 WAELFDMGSFVKPL-CYBMUJFWSA-N 302.201 3.310 10 10 DGCE COc1cc(CN2CCOCC[C@@H]2C)c(O)c(C(C)(C)C)c1 774660569 ORHDPNRFZNQFJO-ZDUSSCGKSA-N 307.434 3.309 10 10 DGCE COc1ccc(N(C)C(=O)/C(C)=C\c2cccnc2)cc1OC 1125533377 DNUXNYYPLUQHBJ-RAXLEYEMSA-N 312.369 3.165 10 10 DGCE CC[C@H](COC)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C 1126399876 GWEFPAQJYQOFMN-QGZVFWFLSA-N 314.429 3.178 10 10 DGCE CCCN(Cc1ccc2nc(O)[nH]c2c1)c1ccc(CN)cc1 894569714 JDJQBMBXBXXPDA-UHFFFAOYSA-N 310.401 3.144 10 10 DGCE CCNc1ccc(C)cc1C(=O)NCc1ccc(N(C)C)cc1 1135825030 CHUAWTMXCOKHEK-UHFFFAOYSA-N 311.429 3.423 10 10 DGCE c1cc2c(cc1CN[C@H](C1CC1)[C@@H]1CCCCO1)CCCO2 1202993741 QAXCTXSZDAGFRF-RBUKOAKNSA-N 301.430 3.449 10 10 DGCE CN(CCCNCc1c(O)cccc1F)Cc1ccccc1 1958792394 CRGYCAHTKWJZNU-UHFFFAOYSA-N 302.393 3.143 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1Nc1c(N)cccc1F 1959373839 NZNBYCPBUNWZRZ-STQMWFEESA-N 309.385 3.266 10 10 DGCE Oc1cccc(O)c1CNc1nccc(Oc2ccccc2)n1 1164212340 MBKLIAOHBQOQQF-UHFFFAOYSA-N 309.325 3.292 10 10 DGCE NCc1cc(F)c(N2CCC(CF)CC2)cc1Br 701922485 CZGGWKOYDCVTJB-UHFFFAOYSA-N 319.193 3.233 10 10 DGCE CN[C@@H](c1ccc(N(C)C)cc1)c1snc(OC)c1Cl 708310115 FPJQMQGOSFAVEY-LBPRGKRZSA-N 311.838 3.180 10 10 DGCE CC(C)[C@H]1C[C@H](NCc2cccc(Br)c2O)CO1 691488307 NJVBRCBHRRUYDY-WCQYABFASA-N 314.223 3.058 10 10 DGCE C[C@H](O)c1ccc(N2CCO[C@H](C(F)F)CC2)cc1Cl 687553565 NOUYXJBUVUJOFQ-ZANVPECISA-N 305.752 3.254 10 10 DGCE Cc1ccc([C@H]2CCCN2C(=O)Cc2ccc(O)c(O)c2)cc1 1441013034 HNZARTZTIQTVIZ-MRXNPFEDSA-N 311.381 3.312 10 10 DGCE COc1cccc(SC)c1NC(=O)Cc1ccc(O)c(O)c1 1451693506 FVIPNSHUGWQLND-UHFFFAOYSA-N 319.382 3.010 10 10 DGCE CC(C)c1coc(NC(=O)c2ccc(N=NC(N)=O)cc2)n1 1298162216 ADDMESSARWTQAA-UHFFFAOYSA-N 301.306 3.213 10 10 DGCE CCc1c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cnn1CC 1523200599 JUPCGRFGQMUGHZ-ZDUSSCGKSA-N 314.433 3.022 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N[C@H](C1CCCC1)C1CCC1 1469364577 JWKLDKYVAHNDDC-GOSISDBHSA-N 303.402 3.115 10 10 DGCE CC1CCN(c2ccc(CNC(=O)[C@@H]3CCC=CO3)cc2)CC1 1616694154 FFPFGODRRCDPKY-SFHVURJKSA-N 314.429 3.232 10 10 DGCE Cc1cc(=O)oc2cc(N(C)C(=O)c3cc(O)cs3)ccc12 1627028186 DZESCWIICMCYPC-UHFFFAOYSA-N 315.350 3.145 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CC[C@@H]3[C@H](C2)C3(F)F)c1O 1559665905 UGBDQWBEJWXWFC-OLZOCXBDSA-N 315.747 3.335 10 10 DGCE [N-]=[N+]=NC1CCN(C(=O)c2cnc(Cl)c(Cl)c2)CC1 1912184085 CAILSMZWTOPWOY-UHFFFAOYSA-N 300.149 3.303 10 10 DGCE COc1ccc(CNC[C@@H](C)NC(=O)CCC2CCC2)cc1C 1497802075 JSGLJXRKHPEUSC-OAHLLOKOSA-N 318.461 3.178 10 10 DGCE CCCCC[C@H](O)C(=O)N(CC)Cc1ccc(N(C)C)cc1 1583569831 VORXYSBHKRSYKW-KRWDZBQOSA-N 306.450 3.042 10 10 DGCE Cc1ccc2cccc(C(=O)NCc3c(O)cccc3F)c2n1 1596912625 PXVQAEPQPLNLHD-UHFFFAOYSA-N 310.328 3.318 10 10 DGCE CCN1CCN(/N=N/c2ccc(N3CCCCC3)cc2)CC1 1860486019 KENLXSFCUPJREO-VHEBQXMUSA-N 301.438 3.313 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@]2(CNc3ccc(N)cc3)CC[C@H]1C2 1900788232 JTEAVXVWPCAZFO-YJBOKZPZSA-N 317.433 3.470 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@]2(NCc3ccccc3O)CC[C@H]1C2 1902900743 RBXCSHORVICCCG-KBXCAEBGSA-N 318.417 3.024 10 10 DGCE Oc1c(F)cccc1CNCc1csnc1Br 1925360534 OFOWEYPOEJAYJB-UHFFFAOYSA-N 317.183 3.040 10 10 DGCE CC[C@@H](C[C@@H](NC)c1ccccc1O)NC(=O)OC(C)(C)C 1928469044 CZHFOTSQGSIYKQ-GXTWGEPZSA-N 308.422 3.346 10 10 DGCE COC(=O)[C@H]1CCN1c1ccc(OCc2ccccc2)cc1C 1935528598 DPLGWGREQRHEBK-GOSISDBHSA-N 311.381 3.326 10 10 DGCE C[C@@H]1C[C@@H]([C@@H](N)c2ccccc2O)CN(C(=O)OC(C)(C)C)C1 1936969157 XIQAOXHLTNMGSK-XJKCOSOUSA-N 320.433 3.285 10 10 DGCE CN[C@@H](c1ccccc1O)[C@@H](CC1CC1)NC(=O)OC(C)(C)C 1936977571 WXDPLFHBLCODDU-ZBFHGGJFSA-N 320.433 3.346 10 10 DGCE CN[C@@H](C)c1ccc(N(C)C2CSC2)cc1Br 1941418739 DKPROQXUXPMVAQ-VIFPVBQESA-N 315.280 3.281 10 10 DGCE C[C@H]1CCS[C@@H]1CNCc1ccc(Br)cc1O 1945605146 JONAEKYZRLMTHD-TVQRCGJNSA-N 316.264 3.386 10 10 DGCE Cn1nc(CNCCCc2ccc(N)cc2)c(Cl)c1Cl 2150746332 AGSBYGCVFROKCO-UHFFFAOYSA-N 313.232 3.032 10 10 DGCE Cc1cccc(CN[C@@H](C)[C@@H]2CCN2C(=O)OC(C)(C)C)c1O 1994449256 CADBUIPBIMULIG-ZFWWWQNUSA-N 320.433 3.188 10 10 DGCE CC[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)[C@@H](NC)c1ccccc1O 1994987072 HLLFBCCFRPDOIM-HNJNHCNJSA-N 320.433 3.346 10 10 DGCE CN(Cc1c(O)cccc1Br)[C@H]1CCC[C@@H]1F 2006800570 BRVIBBHRJRWIRR-RYUDHWBXSA-N 302.187 3.477 10 10 DGCE Oc1c(Br)cccc1CN1CCCC[C@@H]1CF 2004482571 SHAAWSBAYZOCDK-LLVKDONJSA-N 302.187 3.479 10 10 DGCE CO[C@H]1CCCC[C@H]1NCc1cc(Br)ccc1O 2027935387 ZXRFQCOUFAVDBS-OCCSQVGLSA-N 314.223 3.202 10 10 DGCE OCc1ccc(N2CC([C@@H]3CC3(F)F)C2)cc1Br 2036010997 UZNVBXGQPWXOHE-NSHDSACASA-N 318.161 3.033 10 10 DGCE C[C@H]1C[C@@H](CN(C)Cc2cccc(Br)c2O)CO1 2040273011 DNJQACLHEAPAJY-QWRGUYRKSA-N 314.223 3.012 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)c2cc3c(s2)CCSC3)C1 403732672 MUVYNNBSYRJCOW-SNVBAGLBSA-N 308.432 3.452 10 10 DGCE C[C@H](N)c1ccc(N2CCO[C@@H](C)[C@H]2C)c(Br)c1 380581789 XTMBSYLIJQODBX-AXFHLTTASA-N 313.239 3.082 10 10 DGCE CN[C@H](C)c1ccc(N2CCOC[C@@H]2C(F)F)cc1Cl 2175653055 FHLLAOJZQKBRMT-NOZJJQNGSA-N 304.768 3.091 10 10 DGCE Cc1cc(O)c([C@@H](C)n2nc(C3CCC3)c(N)c2N)cc1C 2079986110 RGNUYDRQFCKUNH-LLVKDONJSA-N 300.406 3.247 10 10 DGCE CN(C(=O)c1nc(Cl)sc1Cl)c1ccc(N)cc1 2078397068 HJNCHBLAMNHOHY-UHFFFAOYSA-N 302.186 3.309 10 10 DGCE CN[C@@H](c1ccccc1O)[C@H](O)c1ccccc1Br 2091864104 RFYUKQOQQPDNDO-LSDHHAIUSA-N 322.202 3.149 10 10 DGCE CCN1CCc2cc([C@@H](N)c3cc(Br)co3)ccc21 2112422138 IMZJGDZRMZXPPZ-OAHLLOKOSA-N 321.218 3.473 10 10 DGCE CNCc1ccc(N(C)C2C[C@H]3C[C@@H]3C2)cc1Br 2222763866 VGZVSBASLRWSHH-VXGBXAGGSA-N 309.251 3.403 10 10 DGCE OCc1ccc(N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@H]3C2)c(Br)c1 2264967560 KVMHHCCNWSHTPL-LVEBTZEWSA-N 322.246 3.424 10 10 DGCE Cc1ccc(CN[C@@H]2C[C@@H](C)O[C@H]2C)c(O)c1Br 2327612315 LCKSBOBESYAIHK-JFGNBEQYSA-N 314.223 3.119 10 10 DGCE CC(C)N[C@](CO)(CCC1CC1)CSc1nccs1 2340703331 KNTXQHFPBFWNIQ-AWEZNQCLSA-N 300.493 3.155 10 10 DGCE CN1CCCc2cc([C@@H]3Nc4ccccc4C(=O)N3C)ccc21 52118394 YLUJNUQTJFTTCE-GOSISDBHSA-N 307.397 3.265 10 10 DGCE Oc1cc(-c2n[nH]c(=S)n2C2CCCCC2)cc(O)c1O 75330741 IKRGXGNTGXTGKX-UHFFFAOYSA-N 307.375 3.230 10 10 DGCE CC[C@H]1CN(c2ccc(CN)c(C(F)(F)F)c2)CCS1 157295139 JXUVBWUEEPMHBT-LBPRGKRZSA-N 304.381 3.496 10 10 DGCE CCCNCc1ccc(N(C)C[C@@H]2CCN(C)C2)c(Cl)c1 164067878 MABIUAIUMHLIFE-OAHLLOKOSA-N 309.885 3.228 10 10 DGCE COc1ccc(O)c(CN2CCCC[C@H]2c2cccn2C)c1 180638346 KURJHDXNHVEZOG-KRWDZBQOSA-N 300.402 3.467 10 10 DGCE C[C@H](N[C@H](C)c1cc(Cl)ccc1O)c1nnc2n1CCCC2 185585166 ILQHPGRIMHSUNH-MNOVXSKESA-N 320.824 3.385 10 10 DGCE Cc1ccc([C@@H](C)NC/C=C/CNC(=O)OC(C)(C)C)c(O)c1 227754467 OSBXRNNWVHCJNZ-PSKZRQQASA-N 320.433 3.432 10 10 DGCE CN(C(=O)/C=C\c1cnn(-c2ccccc2)c1)c1ncccc1F 255889558 YUEYNSVNBPXIPE-KTKRTIGZSA-N 322.343 3.083 10 10 DGCE CCOc1ccc(O)c(CNC[C@H](Cc2ccccc2)OC)c1 294704968 DGVYEELBDNZBRS-SFHVURJKSA-N 315.413 3.138 10 10 DGCE O=C1N=C(N2CCCCC2)S/C1=C/c1ccc([N+](=O)[O-])s1 588421125 ODCNCBRNHMDEQN-CSKARUKUSA-N 323.399 3.113 10 10 DGCE CN(C)c1ccc([C@@H](N)Cc2ccncc2Br)cc1 702912887 IOWORCYLPWAJJV-HNNXBMFYSA-N 320.234 3.153 10 10 DGCE Oc1c(F)cc(Br)cc1CNCC1C[C@H]2C[C@@H]2C1 715716137 CVGMXFMUCXWYOD-UWVGGRQHSA-N 314.198 3.430 10 10 DGCE Oc1cc(Br)ccc1CNCC1C2(CC2)C12CC2 716572084 OBOPZOUMQWLKRD-UHFFFAOYSA-N 308.219 3.435 10 10 DGCE CCN(CC)c1ccc(CNC(=O)N[C@@H]2[C@H]3CCC[C@H]32)cc1F 787211847 SEOYFPLDAZBZJT-HALDLXJZSA-N 319.424 3.270 10 10 DGCE Oc1ccc(Cl)c(F)c1CN1CCC(c2ncc[nH]2)CC1 792164499 JFVLFMUMWUAEHL-UHFFFAOYSA-N 309.772 3.287 10 10 DGCE CCCCN(Cc1nsc(N(C)C)n1)Cc1ccccc1O 801596157 QUARZBRLSNYPNO-UHFFFAOYSA-N 320.462 3.112 10 10 DGCE COC(=O)c1cnc(SC[C@H](O)c2ccccc2C)s1 834383487 UFEPGYXTGLZGBI-NSHDSACASA-N 309.412 3.064 10 10 DGCE C[C@H](N[C@H]1COCC1(C)C)c1cc(Br)ccc1O 834906247 YQBWXXXJQZJRDR-ZANVPECISA-N 314.223 3.230 10 10 DGCE CN(C)c1ccc(/C=C/CNC2C[C@@H]3CCC[C@H](C2)N3C)cc1 835041279 AARVGOLTIBHCBW-GHDGWMACSA-N 313.489 3.371 10 10 DGCE CC1(C)CCC[C@H]1[C@H]1CCN(C(=O)c2cccc(O)c2O)C1 844033596 PTWGKVAKJZDJHL-JSGCOSHPSA-N 303.402 3.386 10 10 DGCE C[C@@H](NC(=O)NCC[C@@]1(C)C[C@]1(F)Cl)c1ccccc1O 868742853 DSSMXMDXTMCUMU-WKPIXPDZSA-N 314.788 3.457 10 10 DGCE COc1cc(C)cc(CNCC[C@H]2CC2(Cl)Cl)c1O 895378093 POSNUTVGNQAXFG-NSHDSACASA-N 304.217 3.383 10 10 DGCE CC[C@H](C)[C@@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)OC 897880243 KPKRGSJSBMWFBR-TVQRCGJNSA-N 323.414 3.103 10 10 DGCE COC(=O)c1ccc(N=Nc2ccc(O)c(C(=O)O)c2)cc1 1081393681 XKDVVQJRMGATFR-UHFFFAOYSA-N 300.270 3.292 10 10 DGCE Cc1cc(CN2CCC3(CCN(C)CC3)CC2)ccc1N(C)C 1139673875 LYSYUHPDVFPTNO-UHFFFAOYSA-N 315.505 3.369 10 10 DGCE C[C@@H](NC(=O)c1cccc(Cl)c1N)c1ccc(N(C)C)cc1 1154668249 DSJDEJMMEOPOSR-LLVKDONJSA-N 317.820 3.479 10 10 DGCE Cc1ccc2occ(CC(=O)NCc3c(O)cccc3O)c2c1 1456326993 ZDGZBILWHLAODL-UHFFFAOYSA-N 311.337 3.011 10 10 DGCE CC[C@@H](Cc1ccccc1C)C(=O)NCc1cccc(O)c1O 1528771650 SKSODNYNJZBGCZ-AWEZNQCLSA-N 313.397 3.291 10 10 DGCE Cc1cccc(-n2c(C)cc(CNC(=O)c3cocn3)c2C)c1 1531612506 ROGUNLITLDQLGO-UHFFFAOYSA-N 309.369 3.321 10 10 DGCE COc1ccc(NC(=O)OC(C)(C)C)c([C@H](CO)N=[N+]=[N-])c1 1535988471 YLIQTHYBCKLGRC-LBPRGKRZSA-N 308.338 3.386 10 10 DGCE CCN(C[C@@H]1C[C@H]2CCC[C@H]2O1)c1ccc(OC)c(OC)c1 1559642228 HEJDMZCBMXUCDL-VNQPRFMTSA-N 305.418 3.488 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc(F)c1C 1623574642 VQGPVKOAVZDNOK-UHFFFAOYSA-N 308.349 3.255 10 10 DGCE Cc1ccc(C(=O)N[C@H](C)[C@@H]2CC3CCC2CC3)c(O)c1O 1631862726 KTGXVHYNRMLPBK-LPXQKFACSA-N 303.402 3.351 10 10 DGCE CC[S@](=O)c1ccccc1C(=O)N[C@@H](C)c1ccccc1O 1632250044 JCCZWLQJIXBUMI-YTEVENLXSA-N 317.410 3.011 10 10 DGCE Cc1cc(C)cc(NC(=O)CNCc2cc(Cl)ccc2O)c1 1857858426 WTNIKMBCKKHFSD-UHFFFAOYSA-N 318.804 3.391 10 10 DGCE [N-]=[N+]=NCC1CCN(Cc2ccncc2Br)CC1 1912151766 LGCWGOUMAYHSLC-UHFFFAOYSA-N 310.199 3.366 10 10 DGCE C[C@@H](CCNCc1ccc(N)cc1)N(C)C(=O)OC(C)(C)C 1931966776 GLMPEHUWTGHFLL-ZDUSSCGKSA-N 307.438 3.004 10 10 DGCE Oc1ccc(CNC2(CCOCc3ccccc3)CC2)cc1O 1937181163 ISTPUCAWVMSMMR-UHFFFAOYSA-N 313.397 3.327 10 10 DGCE COc1ccc(CN[C@@]23C[C@@H]2CN(Cc2ccccc2)C3)cc1C 1950089219 FHDOXAZBTFAKHR-TZIWHRDSSA-N 322.452 3.368 10 10 DGCE Oc1cc(Br)ccc1CNCc1cc(C2CC2)n[nH]1 1963624456 KLMCTCGHNJRCCY-UHFFFAOYSA-N 322.206 3.045 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](Nc3c(N)cccc3F)C[C@H]21 1977665030 SIMHUUKIKDPPCR-LERXQTSPSA-N 321.396 3.218 10 10 DGCE C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1Cc1ccc(N)cc1 1977925274 JLFDLZXNJXXEFE-KBPBESRZSA-N 319.449 3.099 10 10 DGCE C[C@H](F)[C@@H]1CCCN1Cc1c(O)cccc1Br 2010588496 AHZCNNNXRWCUSY-CABZTGNLSA-N 302.187 3.477 10 10 DGCE CN(C)c1ccc([C@](C)(O)c2ccc(Br)o2)cc1 2044708923 RMNRKGZGXSWPSF-AWEZNQCLSA-N 310.191 3.364 10 10 DGCE OCc1ccc(N2[C@H]3CC[C@@H]2C[C@@H](F)C3)cc1Br 2072028181 ZGFDRAZQFWECCL-CNDDSTCGSA-N 314.198 3.411 10 10 DGCE CCCNCc1ccc(N(C)Cc2csnn2)c(Cl)c1 2150305208 MBRBMQVPRIHUDQ-UHFFFAOYSA-N 310.854 3.328 10 10 DGCE COc1cc(Cl)cc(CNC[C@H]2C[C@@H]2C(C)(F)F)c1O 2164440164 BLLZLHHASSRRCK-KCJUWKMLSA-N 305.752 3.435 10 10 DGCE CCN[C@@H](C)c1ccc(N2CCO[C@@H](CF)C2)cc1Cl 2172041659 OQZZDDCVFAAJGO-AAEUAGOBSA-N 300.805 3.185 10 10 DGCE CC[C@@H](O)[C@@H]1CCCCN1c1cc(Cl)c(CN)cc1F 2177381316 LTDZOIPJFUZQAO-DZGCQCFKSA-N 300.805 3.068 10 10 DGCE CCNCc1ccc(N(C)C[C@H]2OCC[C@H]2F)c(Cl)c1 2179098439 AGFKINWMORFRFF-UKRRQHHQSA-N 300.805 3.013 10 10 DGCE CO[C@@]1(CN(C)c2ccc([C@H](C)N)cc2Cl)CCSC1 2186279645 YHXWYGQGSAIZCD-XHDPSFHLSA-N 314.882 3.318 10 10 DGCE Cc1cc([C@H](C)N)ccc1N1CCS[C@H](C(F)(F)F)C1 2240839060 BIVKSQMVEJCVDN-GWCFXTLKSA-N 304.381 3.499 10 10 DGCE C[C@@H](N)c1ccc(N(C)CC[C@@H]2CCO2)c(Br)c1 2263968349 HWUXBWGIJYVXEI-ZYHUDNBSSA-N 313.239 3.084 10 10 DGCE COc1c([C@@H](NN)c2ccc(N(C)C)cc2)csc1Cl 2284265225 SVSPEGFYKCKINB-LBPRGKRZSA-N 311.838 3.029 10 10 DGCE CCc1nsc(CN(C)c2ccc([C@H](C)O)c(Cl)c2)n1 2288827472 YJRFIGHDEIIAFY-VIFPVBQESA-N 311.838 3.444 10 10 DGCE O=C(C=Cc1cncc(F)c1)N1CCCc2cccc(F)c21 2297493384 QVPVSWKAMFCPIT-UHFFFAOYSA-N 300.308 3.352 10 10 DGCE CSc1ncc(CNC2(C(=O)O)CCCCCC2)s1 2345397171 UFHGQNLOYXGVRL-UHFFFAOYSA-N 300.449 3.132 10 10 DGCE CCc1nc([C@@H](NC)c2ccc3c(c2)CCN3C)sc1C 50287842 XXALEVBUIKQNNS-INIZCTEOSA-N 301.459 3.315 10 10 DGCE C[C@H]1CCCN(C2=NC(=O)/C(=C\c3ccccc3O)S2)C1 33457345 XGCXCIWVIAZGSB-LUHPIMIVSA-N 302.399 3.094 10 10 DGCE CCN(C)c1ccc([C@H](C)Nc2cnn(CCOC)c2)cc1 182465115 DSBQDPHWMCVKNF-AWEZNQCLSA-N 302.422 3.159 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1NCc1cccc(F)c1O 227632893 MHMKLJSHTWZOLJ-ZIAGYGMSSA-N 324.396 3.067 10 10 DGCE Cc1nc(CN(C)c2ccc(CNC3CC3)cc2F)cs1 44609519 VHQKSYDBSHWHQE-UHFFFAOYSA-N 305.422 3.479 10 10 DGCE CC[C@@H](C)[C@H](N)[C@@H](N)c1ccc(OCc2ccccc2)cc1O 95841022 LDVJHXRPZKOFER-VMDGZTHMSA-N 314.429 3.344 10 10 DGCE COc1ccc(N(C)C[C@]2(O)C[C@@H]2C(F)(F)F)cc1Cl 2370438722 YSXLTLJYLQPVBM-NWDGAFQWSA-N 309.715 3.098 10 10 DGCE C[C@@H]1CN2CCC[C@@H]2CN1c1ccc(OC(F)(F)F)cc1 94447533 SEQTZRUVUJUOGO-DGCLKSJQSA-N 300.324 3.258 10 10 DGCE COc1cccc(CN2C[C@H](C)O[C@H](c3ccsc3)C2)c1O 245755901 OPUDFSHLPALCOE-LRDDRELGSA-N 319.426 3.424 10 10 DGCE C[C@@H]1OCC[C@@H]1N(C)[C@H](C)c1cc(Br)ccc1O 252788085 JCZYXWJBNCSIIL-NRUUGDAUSA-N 314.223 3.325 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCC[C@@H]1OC 293376494 MKOIRPRTLDKXKC-WBVHZDCISA-N 305.418 3.336 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H](O)C2(C)C)cc1 812697079 FMZQNORXHQETTI-QGZVFWFLSA-N 312.413 3.080 10 10 DGCE Nc1ccc(CCCN2CCS[C@@H](C(F)(F)F)C2)cc1 721487518 RHBPZKRIOPMBRP-CYBMUJFWSA-N 304.381 3.181 10 10 DGCE Cc1cc(CCNCc2cncnc2)c(C)n1-c1ccccc1 727465479 KLESVLQMFNCNBP-UHFFFAOYSA-N 306.413 3.216 10 10 DGCE CCc1nc([C@H](C)NC(=O)/C=C\c2ccc(O)c(O)c2)cs1 588406523 QIZDOBPHOOTVPW-BXKUYDPTSA-N 318.398 3.007 10 10 DGCE Cc1cc(Cl)cc2c1N(C(=O)/C=C/c1cnccn1)CCC2 735449907 NTFAWIRZWCVJGC-SNAWJCMRSA-N 313.788 3.431 10 10 DGCE C/C(=C\c1ccncc1)C(=O)NCc1ccc(N(C)C)cc1C 846876437 SBTIVQKPFGFGIL-RVDMUPIBSA-N 309.413 3.176 10 10 DGCE COc1cccc(CN[C@@H](c2cnn(C)c2)C(C)(C)C)c1O 748247808 YUNWPFKYTMDHHU-INIZCTEOSA-N 303.406 3.011 10 10 DGCE CCc1cc(N[C@@H]2CCN(c3ccc(OC)cc3)C2)nc(C)n1 853758355 CQQDNHRBRMIKGU-OAHLLOKOSA-N 312.417 3.047 10 10 DGCE O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1C[C@@H]2C[C@@H]2C1 854475694 WIKWJNRHPCNXNF-BRPSZJMVSA-N 300.185 3.361 10 10 DGCE CC(C)N(CCO[C@@H]1CC1(F)F)Cc1ccc(N(C)C)cc1 851732258 NCGSITARHDPFQH-MRXNPFEDSA-N 312.404 3.387 10 10 DGCE O=S(=O)(/C=C/c1ccc(Cl)cc1)NCc1ccccc1O 751149240 OWUJASSJVFONSO-MDZDMXLPSA-N 323.801 3.136 10 10 DGCE COc1ccc(O)c([C@@H](C)N[C@@H](CO)c2sccc2C)c1 756736010 KKTQOCIMUKFRPD-RISCZKNCSA-N 307.415 3.155 10 10 DGCE Oc1ccc(Br)cc1CNCCOCC1CCC1 764980596 OBUFNGXMCIBZRX-UHFFFAOYSA-N 314.223 3.061 10 10 DGCE OC[C@@H]1CC(F)(F)CN1c1ccc(OCc2ccccc2)cc1 1899869869 HGUZGBBSUZLKGV-INIZCTEOSA-N 319.351 3.472 10 10 DGCE CCN(CC(F)(F)F)C(=O)CSc1ncc(Cl)s1 865372670 UWVNTHSOVCRAFN-UHFFFAOYSA-N 318.773 3.299 10 10 DGCE Cc1cc(Cl)cc(CN[C@@H]2Cc3cccc(O)c3C2)c1O 763477167 DGVWCWVCBDBEFQ-CQSZACIVSA-N 303.789 3.317 10 10 DGCE Cc1cc(Cl)cc(CN2CCC[C@@H](n3ccnc3)C2)c1O 775674446 BNIUGWOYWNFKPY-OAHLLOKOSA-N 305.809 3.388 10 10 DGCE C[C@@H]1SCCN(c2ccc(CN)c(C(F)(F)F)c2)[C@H]1C 132159008 YUZKWFMHAPUYLO-UWVGGRQHSA-N 304.381 3.494 10 10 DGCE Cc1cc(N2CCN(Cc3ccccc3)[C@@H](C)C2)ccc1CN 396345664 PRWNQLQWKCQZGT-KRWDZBQOSA-N 309.457 3.164 10 10 DGCE C[C@](NCCCN=[N+]=[N-])(C(=O)O)c1ccc(F)cc1Cl 90258672 JNFDECISIFAELI-GFCCVEGCSA-N 300.721 3.069 10 10 DGCE CC(C)(C(=O)NCc1cccc(O)c1O)c1cccc(Cl)c1 1303195616 XPYQBKNNMYIKRY-UHFFFAOYSA-N 319.788 3.345 10 10 DGCE COc1cccc(CNC(=O)NC[C@@H]2CCCC(C)(C)C2)c1O 1251913400 CDTMODCCGPNBDL-CYBMUJFWSA-N 320.433 3.416 10 10 DGCE COc1ccc2c(c1)[C@H](NC(=O)c1cc(O)cs1)CCC2 1447113023 ZLPDIFKQKCNILP-CQSZACIVSA-N 303.383 3.270 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)cc1 1534246033 RCNDOYILPKZRDA-BNEJOLLZSA-N 300.446 3.441 10 10 DGCE Cc1ccc(C(=O)N[C@@H]2c3ccccc3CC[C@H]2C)c(O)c1O 1546172272 RSZCGXLCHDDPAM-BZNIZROVSA-N 311.381 3.460 10 10 DGCE C[C@@H](NC(=O)NCc1noc2ccccc12)c1ccccc1O 1471313092 RMBFQYVZRFKSJR-LLVKDONJSA-N 311.341 3.094 10 10 DGCE CN(Cc1ccccc1O)C(=O)[C@@H]1CCOc2c(F)cccc21 1629954878 IAIPGUOEBXCQFE-CQSZACIVSA-N 315.344 3.056 10 10 DGCE C[C@@H](C(=O)NCc1ccc2cccnc2c1O)c1cccs1 1630533187 XNJVMLWZBKSQNE-LLVKDONJSA-N 312.394 3.422 10 10 DGCE CCN(C)c1ccc(CN2CCN(C)[C@H](C(C)(C)C)C2)cc1 1646537141 SVQAKZYVNUVBFT-SFHVURJKSA-N 303.494 3.305 10 10 DGCE O=C(NCc1ccc(O)cc1O)c1ccc(-c2ccccc2)o1 1643103802 GGJLWBAKUCTJCJ-UHFFFAOYSA-N 309.321 3.288 10 10 DGCE CC[C@@H](CNC(=O)OC(C)(C)C)C[C@H](N)c1ccccc1O 1928480948 PJVUFSLWUOUQQO-OCCSQVGLSA-N 308.422 3.333 10 10 DGCE Cc1cc(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)ncn1 1587886357 LYPHTOATJCMVEK-UHFFFAOYSA-N 320.396 3.123 10 10 DGCE CN[C@@H](C[C@H]1CCN1C(=O)OC(C)(C)C)c1ccccc1O 1960445575 LLDUKNBXGIDYOO-OCCSQVGLSA-N 306.406 3.052 10 10 DGCE CN(C)CCN(Cc1ccccc1)c1ccc(CN)cc1Cl 1931940035 GRIIUFANYBJTNN-UHFFFAOYSA-N 317.864 3.367 10 10 DGCE O=C1N=C(Nc2cccc(C(=O)O)c2)S/C1=C\c1ccccc1 16904426 ZZHGAQZFYCTUNM-ZROIWOOFSA-N 324.361 3.467 10 10 DGCE O=C(/C=C/c1ccccc1Cl)NCCc1ccc(O)c(O)c1 157959957 PNADMLIHXJLYDJ-SOFGYWHQSA-N 317.772 3.123 10 10 DGCE Oc1ccc(/N=N/N2CCN(c3ccc(F)cc3)CC2)cc1 1860480167 DEVBHYJQMMBQNP-VHEBQXMUSA-N 300.337 3.352 10 10 DGCE C[C@H](C(=O)N1CCOc2ccc(N(C)C)cc2C1)c1ccccc1 823736374 CEBSIBMJRJTUEW-HNNXBMFYSA-N 324.424 3.277 10 10 DGCE CN(CCCN=[N+]=[N-])C[C@H]1CCCCN1C(=O)OC(C)(C)C 1962305062 QGSONMAUUCWGSG-CYBMUJFWSA-N 311.430 3.408 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H]2CN(CCCN=[N+]=[N-])CC[C@H]21 1982241702 INMJSRHYDCEAGG-UONOGXRCSA-N 323.441 3.408 10 10 DGCE Oc1ccc(CNCc2cscc2C(F)(F)F)c(O)c1 2151829250 CLRISFQHABXETQ-UHFFFAOYSA-N 303.305 3.468 10 10 DGCE C[C@H](O)c1ccc(N2CCn3ncc(Cl)c3C2)c(Cl)c1 2154038917 RCWOLZGWMWAGJR-VIFPVBQESA-N 312.200 3.263 10 10 DGCE C[C@@H]1CCCC[C@@H]1S(=O)(=O)N1CCC[C@@H](N=[N+]=[N-])CC1 2155557797 YBVDWXVGVJHFIC-UPJWGTAASA-N 300.428 3.060 10 10 DGCE COC[C@H](C)CCNCc1cc(Br)cc(F)c1O 2031863496 BIOBGAMNDMXBEH-SECBINFHSA-N 320.202 3.056 10 10 DGCE CCn1cc(Br)cc1C(=O)N(C)c1ccc(N)cc1 702128273 VEKWZTGMIUXEEJ-UHFFFAOYSA-N 322.206 3.129 10 10 DGCE Cn1c(C(=O)N2CCC[C@H](N=[N+]=[N-])C2)cc(Cl)c1Cl 706344678 UIAXNPKLWPQDIO-ZETCQYMHSA-N 302.165 3.247 10 10 DGCE CCc1cc(C(=O)OC(C)(C)C)n(Cc2cc(F)ccc2O)n1 2070012943 PZURBMASNAZNKU-UHFFFAOYSA-N 320.364 3.294 10 10 DGCE C[C@H](c1ccc(F)cc1O)n1nc(-c2ccccc2)cc1CO 2070168614 GLCVOZKUICIUKK-GFCCVEGCSA-N 312.344 3.496 10 10 DGCE Cc1ccc([C@@H](C)n2nc(C)c(CN)c2Br)c(O)c1 2079126237 VFXRIMYOFYMASX-SNVBAGLBSA-N 324.222 3.036 10 10 DGCE CN[C@H](C)c1ccc(N2CC3(F)CC2C3)c(Br)c1 2048730006 HSBXSGGECOPYLP-FDMSEYEVSA-N 313.214 3.420 10 10 DGCE CCCN(Cc1nn(C)cc1Br)c1ccc(N)cc1 2087325621 QTGAXEKCFMCJOW-UHFFFAOYSA-N 323.238 3.181 10 10 DGCE Cc1c(Cl)cnc(NC(=O)c2cccc(O)c2O)c1Cl 2202911161 JUWVCMYLFMBAJT-UHFFFAOYSA-N 313.140 3.360 10 10 DGCE C[C@H](O)c1ccc(N2CC[C@@H]3C[C@@]3(F)C2)cc1Br 2222657965 PWAKARYRKJEAPF-IMSIIYSGSA-N 314.198 3.441 10 10 DGCE Cc1cc(N2CC(N(C)Cc3ccccc3)C2)ccc1[C@H](C)O 2243960641 SPDHXJZIFDJAMW-INIZCTEOSA-N 310.441 3.369 10 10 DGCE COc1ccc(C=C2SC(=S)N(C(C)C)C2=O)c(OC)c1 2297364936 XEEMLNSWNBNJMK-UHFFFAOYSA-N 323.439 3.313 10 10 DGCE O=C(C=Cc1cncc(F)c1)N1CCCc2ccc(F)cc21 2297490802 WDFHCKXYLARMJN-UHFFFAOYSA-N 300.308 3.352 10 10 DGCE Cc1ccc(CNCC2CC(F)C2)c(O)c1Br 2307565152 JVMHABFGULLBQE-UHFFFAOYSA-N 302.187 3.301 10 10 DGCE Oc1c(F)cc(Br)cc1CN[C@@H]1C[C@@H]2C=C[C@H]1C2 2310114940 ZBRMQVOKAWFJFM-VYUIOLGVSA-N 312.182 3.348 10 10 DGCE CP(C)(=O)[C@@H]1CC[C@](Sc2nccs2)(C(=O)O)C1 2327013726 KZWDONFIUYVGQX-LDYMZIIASA-N 305.361 3.234 10 10 DGCE CC[C@H](O)CN(CC)Cc1ccc(C)c(Br)c1O 2327628850 LQUJKDHBTAEPRK-LBPRGKRZSA-N 316.239 3.056 10 10 DGCE CCCN[C@](CO)(CSc1nccs1)[C@@H]1CC1(C)C 2340927774 UREAEJGJXYJWRJ-BXUZGUMPSA-N 300.493 3.012 10 10 DGCE c1ccc(CN[C@H]2CCCN(c3ccc4c(c3)OCO4)C2)cc1 108054230 DRGPAVWIQFPXSY-INIZCTEOSA-N 310.397 3.174 10 10 DGCE CCCCCCOCC(=O)NCc1ccc(N2CCCC2)cc1 171593138 JWCQDWPMMHMKGB-UHFFFAOYSA-N 318.461 3.500 10 10 DGCE Cc1ccc(CCC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 186384165 PMJYNBYTORZOQO-CQSZACIVSA-N 313.397 3.086 10 10 DGCE NCc1ccc(N(CC(F)(F)F)C2CC2)c(Br)c1 213011797 JMIMGQQGGVTCJM-UHFFFAOYSA-N 323.156 3.439 10 10 DGCE CCN(Cc1cccs1)[C@H](C)C(=O)Nc1ccc(N)cc1 48970015 SZZGZTAXZWZELD-GFCCVEGCSA-N 303.431 3.179 10 10 DGCE Nc1ccc(OCCC(=O)OCc2ccc(Cl)cc2)cc1 41100775 CCPYFZXGZRUOJM-UHFFFAOYSA-N 305.761 3.435 10 10 DGCE C[C@H]1CN(c2ccc([C@@H](C)N)cc2Br)CCS1 137200525 NWPAOEWEOHHLND-VHSXEESVSA-N 315.280 3.411 10 10 DGCE COc1cc(OC)c(N2CCN[C@@H](C(C)(C)C)C2)cc1Cl 86129546 UMWCLDNGBKGYQG-OAHLLOKOSA-N 312.841 3.182 10 10 DGCE Cc1ccc(O)c([C@H](C)NCCN2CCc3ccccc3C2=O)c1 191621834 KKOBCVXBQHVXQN-HNNXBMFYSA-N 324.424 3.050 10 10 DGCE CCN[C@H](C)c1ccc(N2C[C@@H]3CC[C@@H](O)[C@H]3C2)cc1Cl 252843312 BHBGUHZNVDXRMP-PZNPJNSTSA-N 308.853 3.218 10 10 DGCE CC[C@@H]1CN(Cc2cc(Cl)cc(C)c2O)C[C@@H](C)[S@@]1=O 809700122 XVLDTHDGWDOUHA-GIQGCJHYSA-N 315.866 3.085 10 10 DGCE Oc1c(CNC[C@@H]2COc3ccccc3O2)ccc2ccccc12 816531451 SBTFQLQLWKSUPE-MRXNPFEDSA-N 321.376 3.475 10 10 DGCE COC(=O)[C@@H]1CCCCC[C@@H]1NCc1cccc(Cl)c1O 824625646 MUQGZJPTDARCSZ-OCCSQVGLSA-N 311.809 3.257 10 10 DGCE CCCCN(Cc1ccccc1O)[C@@H]1CCN(C(C)(C)C)C1=O 823026011 OCKCLHAYJMJSEF-MRXNPFEDSA-N 318.461 3.394 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)/C=C\C1(C)CCOCC1 825981390 UDNHRZCOEDCEOK-FPLPWBNLSA-N 316.445 3.050 10 10 DGCE CC1(CO)CN(Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 839144817 AQNHIFUXPQLUEV-UHFFFAOYSA-N 322.452 3.064 10 10 DGCE CN(C)c1ccc(/C=C/CNCCc2ccc(CO)cc2)cc1 835041913 BKRJAGFPYDXHIU-ONEGZZNKSA-N 310.441 3.090 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCC[C@@]2(C)CCCO)cc1 835053127 KUAVSMKNGCXIJC-QTWIXLPOSA-N 302.462 3.393 10 10 DGCE CCn1nncc1CN(c1ccc(OC)cc1)[C@@H](C)C1CC1 838895937 QJXXJEAWKNDKGA-ZDUSSCGKSA-N 300.406 3.112 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCc2ccnn2C)c1 745428344 RWNSLPDLUAGFGR-UHFFFAOYSA-N 322.412 3.066 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)C[C@@H]1NCc2ccccc21 852800580 QFRWGUROLXAQBH-SFHVURJKSA-N 324.424 3.365 10 10 DGCE CCC[C@@H](C(=O)NCc1c(O)cccc1F)c1ccccn1 928709227 ZGRKDFUQEKUCKU-GFCCVEGCSA-N 302.349 3.126 10 10 DGCE C[C@H](NCC[C@@H](C)[S@@](C)=O)c1cc2c(cc1O)CCCC2 756763193 VHLFSKYDFBAORW-RRMDADRESA-N 309.475 3.079 10 10 DGCE COc1ccc(N2CC[C@H](Nc3nc(Cl)cs3)C2)cc1 858621180 NTEZGSCOUHNEPX-JTQLQIEISA-N 309.822 3.496 10 10 DGCE Cc1ccsc1[C@H](CO)N[C@@H](C)c1cc(F)cc(F)c1O 756735695 GYTCIEMOMLXBQD-ZANVPECISA-N 313.369 3.425 10 10 DGCE COc1cc(N(C)CC[C@@H]2CCCCO2)cc(OC)c1OC 754050022 NHHPKPBFEGGRRT-AWEZNQCLSA-N 309.406 3.108 10 10 DGCE Cc1nc(CCNC(=O)N[C@@H](C)c2ccccc2O)sc1C 868409187 NVNUUBWEESKWHZ-NSHDSACASA-N 319.430 3.068 10 10 DGCE CC[C@H](C[C@H](C)O)N[C@H](C)c1cc(Br)ccc1O 866635893 UVBJAUKOUPYNKT-HOSYDEDBSA-N 316.239 3.355 10 10 DGCE O=C(CC1(C(F)(F)F)CC1)NCc1ccc2cccnc2c1O 1118876902 XIPPZZJDUHGPJO-UHFFFAOYSA-N 324.302 3.289 10 10 DGCE O=C(c1cc2cc(O)c(O)cc2s1)N1CC(CC2CC2)C1 899040434 DETDTWLFRYMCIB-UHFFFAOYSA-N 303.383 3.185 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H]1CCNc1ccc(N)cc1 1959377331 MHRBEGYGZFFBPU-HNNXBMFYSA-N 305.422 3.470 10 10 DGCE CC[C@H](N[C@H]1CCC[C@H]1O)c1cc(Br)ccc1O 248581912 WFPQHQSIFIYBKO-SGMGOOAPSA-N 314.223 3.109 10 10 DGCE COc1ccc(O)c([C@H](C)NCC(=O)c2ccccc2F)c1 1168712459 LJLQQVDSZQUSMV-NSHDSACASA-N 303.333 3.073 10 10 DGCE Oc1cccc(Cl)c1CNCc1ccc2nsnc2c1 1963624558 MLYDCRVWRYYOAE-UHFFFAOYSA-N 305.790 3.340 10 10 DGCE Cc1cc(N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)ccc1CN 705947005 UODUHAIRDZYWFE-BGYRXZFFSA-N 321.468 3.022 10 10 DGCE CSC(C)(C)CN(C)c1ccc(CN)cc1Br 713932323 JOQJMWLNWRYLGJ-UHFFFAOYSA-N 317.296 3.486 10 10 DGCE C[C@@H]1O[C@H](C)C[C@@H]1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1351674696 XNOKYHPUIBQGOS-VKJFTORMSA-N 316.445 3.059 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)[C@@H]1C[C@H]1c1ccccc1 1452935638 JCAUJMLMXRUBMK-LSDHHAIUSA-N 301.773 3.466 10 10 DGCE O=C(Nc1cc(F)ccc1O)c1cc2cc(O)c(O)cc2s1 1610905201 AHRMTNXTESZTFC-UHFFFAOYSA-N 319.313 3.410 10 10 DGCE CNC1(CNC(=O)c2sccc2-n2c(C)ccc2C)CCC1 1611329814 GVXBLTRXFSZHEX-UHFFFAOYSA-N 317.458 3.028 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1cccc(O)c1F 1629959857 QXEPLELNZRDICS-UHFFFAOYSA-N 303.333 3.289 10 10 DGCE CO[C@H](C)CN(C(=O)c1cc2cc(O)c(O)cc2s1)C(C)C 1629483023 FZSUKMKWWBYEKO-SNVBAGLBSA-N 323.414 3.198 10 10 DGCE CCN(Cc1occc1C)C(=O)c1ccc(N=NC(N)=O)cc1 1557056975 LMOUQNXWBRYTJI-UHFFFAOYSA-N 314.345 3.413 10 10 DGCE [N-]=[N+]=NC[C@H]1CCN(C(=O)Cc2cccc(Br)c2)C1 1912143833 LHRNAAPLOUKVRF-LLVKDONJSA-N 323.194 3.150 10 10 DGCE CCn1cc(Br)c(=N[C@H](C)c2cc(C)ccc2O)[nH]1 2124741156 IAGYDSSQNWIAQX-SNVBAGLBSA-N 324.222 3.275 10 10 DGCE Cc1cc(C)c(/C=C\C(=O)NCc2c(O)cccc2O)cc1C 1645363133 NLANJUSANIDQSU-FPLPWBNLSA-N 311.381 3.353 10 10 DGCE CN1CCN(Cc2ccc(N(C)C)cc2)[C@H](Cc2ccccc2)C1 1659281334 UWZKTCHHMAEKNN-OAQYLSRUSA-N 323.484 3.111 10 10 DGCE Cc1cc(CCNC(=O)N2CC=CC2)c(C)n1-c1ccccc1 1684444409 MWIJUGNUOMXTMU-UHFFFAOYSA-N 309.413 3.218 10 10 DGCE NC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(O)cc1)N2 13636720 BREQWFTZQOFGJT-RLFYNMQTSA-N 306.365 3.318 10 10 DGCE Nc1ccc(Nc2nccs2)c2c1C(=O)c1ccccc1C2=O 205880190 LNGGCBYCAHRQHM-UHFFFAOYSA-N 321.361 3.244 10 10 DGCE C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)C1(C)CC1 151586884 GCBUKVCRZYFGCD-OAHLLOKOSA-N 302.462 3.174 10 10 DGCE CC1=NN(C)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 1865668458 YYTXICIGCOXOFC-LDADJPATSA-N 306.365 3.497 10 10 DGCE CN(CCNCc1ccc2c(c1)CCCO2)Cc1ccccc1 1655413326 LNOGLBIGOFPEOH-UHFFFAOYSA-N 310.441 3.233 10 10 DGCE CN(CCF)c1ccc(CNC2CC2)c(Br)c1 1916511472 SHEOETRKUZIZND-UHFFFAOYSA-N 301.203 3.107 10 10 DGCE NCc1ccc(N2CC(OCc3ccccc3)C2)cc1C1CC1 1901156862 NZNHVQXMCLYEDL-UHFFFAOYSA-N 308.425 3.428 10 10 DGCE CN[C@@H](c1ccccc1O)C(C)(C)CNC(=O)OC(C)(C)C 1928466349 DDDCIVZEASEFPK-AWEZNQCLSA-N 308.422 3.204 10 10 DGCE CN[C@H](c1ccccc1O)[C@@H]1CCCN1C(=O)OC(C)(C)C 1928481504 WYYOLNRUUGEMSV-DZGCQCFKSA-N 306.406 3.052 10 10 DGCE CN(C(=O)c1ccc(F)c(Br)c1)c1ccc(N)cc1 234215600 NWUIWLVZCLBTDP-UHFFFAOYSA-N 323.165 3.447 10 10 DGCE Nc1ccc(CCC(=O)N[C@H]2CC[C@H]2OCc2ccccc2)cc1 1950400227 BPLPCYNYGFPWNM-RBUKOAKNSA-N 324.424 3.065 10 10 DGCE CC(C)(C)OC(=O)N1CCC(=O)[C@@H]1c1c(O)cccc1Cl 1951971311 ZIDHLFNZOCAHPY-CYBMUJFWSA-N 311.765 3.297 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](N)[C@@H]1c1cc(Cl)ccc1O 1952306381 LJOGUVHXUIEOEU-AAEUAGOBSA-N 312.797 3.055 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H](N)C[C@H]1c1c(O)cccc1Cl 1952535859 PZLIEBBORXLDSR-KOLCDFICSA-N 312.797 3.055 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](Nc3ccc(N)cc3)C[C@H]1C2 1977688881 ILABVOORXIVAIM-APHBMKBZSA-N 317.433 3.469 10 10 DGCE CN(C)c1ccc([C@@H](O)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 1977958160 LKYVUROPTUNKFA-GDBMZVCRSA-N 320.433 3.043 10 10 DGCE C[C@@H](N)c1cc(F)c(N(Cc2ccccc2)[C@H](C)CO)c(F)c1 1990445446 TUMLQWDAMOOCBC-CHWSQXEVSA-N 320.383 3.372 10 10 DGCE C[C@H](O)CN(Cc1ccccc1)c1c(F)cc([C@H](C)O)cc1F 1990406855 OAFVNHHWRCUZTP-STQMWFEESA-N 321.367 3.406 10 10 DGCE CN[C@@H](c1ccccc1O)[C@@H](O)c1c(Cl)cncc1Cl 2149795285 XSQGUCGIXJQUCD-KBPBESRZSA-N 313.184 3.088 10 10 DGCE CN[C@@H](C)c1ccc(N2C[C@H]3C=C[C@H]2C3)cc1Br 2029374798 UKNDSVQGWPPYOK-SRVKXCTJSA-N 307.235 3.494 10 10 DGCE Cc1ccc([C@@H](NN)c2ccccc2O)c(Br)c1 2029546007 XEKLXGIGAUWLJR-CQSZACIVSA-N 307.191 3.016 10 10 DGCE Oc1cccc(Br)c1CNC[C@H]1CCCCCO1 2035196199 BNDZNXHCMJSQGL-LLVKDONJSA-N 314.223 3.204 10 10 DGCE CC[C@@H](NCc1ccnn1C)c1cc(Br)ccc1O 71333098 LJLNFDSFIKLXOL-CYBMUJFWSA-N 324.222 3.129 10 10 DGCE CN(Cc1c(O)cccc1Br)C[C@]1(C)CCCO1 2071881268 LXJPXPPZLHASJE-AWEZNQCLSA-N 314.223 3.156 10 10 DGCE NCc1ccc(N2CC[C@]23C[C@@H](CF)C3)cc1Br 2061885700 MNHYNVCKCIAVRH-YPFXGUDJSA-N 313.214 3.236 10 10 DGCE CNCc1ccc(N2CC[C@H]3CC[C@H]3C2)c(Br)c1 2068263963 WQBUHVCIECQNRV-OLZOCXBDSA-N 309.251 3.405 10 10 DGCE CN(Cc1csc(C(F)F)n1)c1ccc(CO)cc1F 2188712258 BFIRJCILVROGKI-UHFFFAOYSA-N 302.321 3.349 10 10 DGCE Cn1c(-c2ccc(O)c(O)c2)nc2ccc(Br)cc21 2087730047 UMWZUAUQDBODNC-UHFFFAOYSA-N 319.158 3.414 10 10 DGCE C[C@H](c1ccccc1O)N(C)c1c(Br)cnn1C 2219672190 UKTQNEKQLYAUHR-SECBINFHSA-N 310.195 3.086 10 10 DGCE CN(c1ccc(CO)c(Cl)c1)C1CSCCSC1 2221348436 CJXRPRUOZYPOFC-UHFFFAOYSA-N 303.880 3.117 10 10 DGCE C[C@@H](CCNCc1ccc(Br)cc1O)OC(F)F 2261330521 XZVRYRZNYNQLRQ-QMMMGPOBSA-N 324.165 3.262 10 10 DGCE CSc1ncc(CNCC[C@@]2(CN)C[C@H]3CC[C@H]2C3)s1 2284708913 CORKYWOXVTZNPA-HUBLWGQQSA-N 311.520 3.110 10 10 DGCE Cc1cc(O)c([C@H](C)N2CC[S@](=O)C(C)(C)C2)cc1Cl 2286455798 KVGQFNGWVSACSF-YBTHPKLGSA-N 315.866 3.258 10 10 DGCE C[C@H](c1ccc(Cl)cc1O)N1CCO[C@H](P(C)(C)=O)C1 2289225363 JYZNGWHEQSKQSY-QMTHXVAHSA-N 317.753 3.388 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@@H]3C[C@H]2[C@@H]2C[C@@H]32)c(Br)c1 2308724172 CTWIJFZGOBJDKG-DPXQDECBSA-N 307.235 3.313 10 10 DGCE CC[C@H]1CO[C@H](C)CN1c1ccc(CN)c(C(F)(F)F)c1 36794457 OTZKBKKPSFJYPW-PWSUYJOCSA-N 302.340 3.168 10 10 DGCE C[C@@H](N)c1ccc(N2CCN(c3nccs3)CC2)cc1Cl 78902263 BELHSXLKMYXLSK-LLVKDONJSA-N 322.865 3.143 10 10 DGCE CCC[C@H](COC)NCc1cccc(Br)c1O 79739141 MUBUYRGIMUMSMJ-LLVKDONJSA-N 302.212 3.059 10 10 DGCE COc1cc(OC)c(N2[C@H]3CCC[C@H]2CC(=O)C3)cc1Cl 108029531 JFZPITQVKGDNHB-QWRGUYRKSA-N 309.793 3.448 10 10 DGCE CN1CCC[C@@H](N(C)Cc2cc(Cl)cc(Cl)c2O)C1 133788889 FVUXJVCQTVJKDF-GFCCVEGCSA-N 303.233 3.225 10 10 DGCE Cn1c(C(=O)NCc2ccc(O)c(O)c2)ccc1-c1ccccc1 159104441 KFSIVXOVFGJBIC-UHFFFAOYSA-N 322.364 3.033 10 10 DGCE CC[C@H](Nc1cccc(-n2nnnc2C)c1)c1ccccc1O 192822271 NMGPLPLNXUTSIX-INIZCTEOSA-N 309.373 3.240 10 10 DGCE NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(O)cc1O)N2 226634703 RABVUMJFFGARJV-VBHSOAQHSA-N 322.364 3.023 10 10 DGCE CC1(C)CCCN1c1ccc(CN)c(Br)c1F 231839968 RIQBEAMZZHZQOO-UHFFFAOYSA-N 301.203 3.426 10 10 DGCE Cc1ccc(Cl)c(NS(=O)(=O)Cc2ccc(N)cc2)c1 232208986 YSYVHCSMHCWAMV-UHFFFAOYSA-N 310.806 3.173 10 10 DGCE C[C@H](NCC[C@H](C)[S@](C)=O)c1ccc2ccccc2c1O 252803390 BISOSPXBFPINOB-BYVOGVQKSA-N 305.443 3.353 10 10 DGCE CN(C(=O)/C=C\c1cccc2cccnc12)c1ccc(Cl)nn1 255671025 SKRXTCDSIKFJIN-YFHOEESVSA-N 324.771 3.354 10 10 DGCE CN(Cc1ccccc1O)C(=O)/C=C\c1cnc2ccccc2n1 255692231 INCWKSXMBQZMEX-KHPPLWFESA-N 319.364 3.007 10 10 DGCE C[C@H](N[C@H]1CCOC2(CCSCC2)C1)c1ccccc1O 272887869 RYVPSUZNBQHTEJ-KBPBESRZSA-N 307.459 3.488 10 10 DGCE Cc1cc(O)c(CN[C@@H]2CCc3cnn(C(C)C)c3C2)cc1C 365131180 HORZVNGARRJKAZ-QGZVFWFLSA-N 313.445 3.434 10 10 DGCE Cc1cc(O)c([C@@H](CC(=O)O)NC(=O)OC(C)(C)C)cc1C 687743057 JSDWPBQCWHZFTC-GFCCVEGCSA-N 309.362 3.050 10 10 DGCE CCN[C@H](C)c1ccc(N(CCF)CCOC)cc1Cl 697294330 MBRZCEYMLDHXCO-GFCCVEGCSA-N 302.821 3.433 10 10 DGCE CNC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2Cl)C1 699638645 GUNMNTLQAYFFKV-VIFPVBQESA-N 308.731 3.284 10 10 DGCE Oc1c(Br)cc(Cl)cc1CN[C@H]1CCCOC1 708055930 HGKQWTXETSXCPC-JTQLQIEISA-N 320.614 3.077 10 10 DGCE C[C@H](COCc1ccccc1)COC(=O)Cc1ccc(N)cc1 719445993 RFQZOOBAAKICGJ-OAHLLOKOSA-N 313.397 3.207 10 10 DGCE Cc1ccc(/C=C/C(=O)N2CCCc3c2cccc3[N+](=O)[O-])cn1 754386736 WQCSRDZIWUEQFQ-MDZDMXLPSA-N 323.352 3.291 10 10 DGCE Cc1noc(C)c1CCCN[C@H](C)c1cc([N+](=O)[O-])ccc1O 756640480 MSMUUTMGMJUUMF-SNVBAGLBSA-N 319.361 3.189 10 10 DGCE C[C@@H](NCC[C@H]1CCOC1)c1cc(Br)ccc1O 757656524 JHQSVQBRSBWFIJ-MNOVXSKESA-N 314.223 3.232 10 10 DGCE CC(C)N(Cc1ccccc1)Cc1cc2c(cc1O)OC[C@H]2O 768437806 IKCSKMOWLBAMGG-GOSISDBHSA-N 313.397 3.229 10 10 DGCE Cc1ccc(/C=C\C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cn1 775402139 BNRUUKQNGDMRON-WASHYIJTSA-N 309.413 3.347 10 10 DGCE Cc1cc(NCc2cc([N+](=O)[O-])ccc2O)nn1[C@H](C)C1CC1 784613175 TWGXKEKHGKMPJO-LLVKDONJSA-N 316.361 3.388 10 10 DGCE Cc1ccccc1[C@@]1(F)CCN(C(=O)c2cc(O)cs2)C1 800698976 SKPCSEMKTWSUQB-MRXNPFEDSA-N 305.374 3.473 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)NCc1cscn1 802065464 BGGWKRXYIWUJBY-UHFFFAOYSA-N 319.430 3.361 10 10 DGCE CN1CCN(c2ccc(CNC3CC(C(C)(C)C)C3)cc2)CC1 815146441 HPEKGTUITXFPRX-UHFFFAOYSA-N 315.505 3.353 10 10 DGCE COC[C@@H]1CCN1Cc1ccc2c(c1)CCN2Cc1ccccc1 816636610 CBQHKSVKPQGYNN-FQEVSTJZSA-N 322.452 3.470 10 10 DGCE Cc1ccc(C(=O)CCC(=O)NCc2ccc(N)cc2)cc1C 837303589 ZAIBMOZESVZYCO-UHFFFAOYSA-N 310.397 3.165 10 10 DGCE CCCN(CCC)c1ccc(CNCCc2cn(C)cn2)cc1 839148416 JFHUWDPPUASVRY-UHFFFAOYSA-N 314.477 3.379 10 10 DGCE COc1cc(Br)cc([C@@H](C)NCCCF)c1O 848536428 RWYAMRTYBJNUCJ-MRVPVSSYSA-N 306.175 3.174 10 10 DGCE CCc1cccc(CN[C@H]2CCOC3(CCSCC3)C2)c1O 848899491 OZLKSUXDUMISOK-INIZCTEOSA-N 321.486 3.489 10 10 DGCE Cc1cc(N)cc(NC(=O)NCc2ccc(N(C)C)cc2C)c1 868193671 TUDYJGAOKBLNPG-UHFFFAOYSA-N 312.417 3.273 10 10 DGCE CCC(CC)n1ccc(C(=O)NCc2c(O)cccc2F)n1 928704812 DJUDJBHEWLQOPX-UHFFFAOYSA-N 305.353 3.019 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)c1cnc2cc[nH]c2c1 1150385785 FJEJVWDNQVYCBH-UHFFFAOYSA-N 321.380 3.077 10 10 DGCE COc1cc(CN(C)c2ccc(-c3nccs3)cc2)on1 1194993391 MFFAZDOEDDLTFP-UHFFFAOYSA-N 301.371 3.443 10 10 DGCE C[C@H](NC(=O)Cc1cncc2ccccc12)c1ccccc1O 1302538003 CRACQKZVHOAHDQ-ZDUSSCGKSA-N 306.365 3.360 10 10 DGCE CCC[C@@H]1C[C@H]1C(=O)N[C@@H](C)CNCc1ccc(OC)c(C)c1 1321978992 UUJWNEGHWISNPH-USXIJHARSA-N 318.461 3.034 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)CSC(F)F 1349117044 HIVMTHWHAUWAMU-UHFFFAOYSA-N 314.401 3.201 10 10 DGCE Cc1ccc(C(=O)N2Cc3cccc(O)c3C2)c(N)c1Cl 1455037267 OELFSJJGBRTWOB-UHFFFAOYSA-N 302.761 3.092 10 10 DGCE COc1ccc(CNC(=O)c2ccc(C)c3cccnc23)c(O)c1 1467470192 GTZMAIOFWWAPCI-UHFFFAOYSA-N 322.364 3.187 10 10 DGCE COc1ccc(N(C)C(=O)/C(C)=C\c2cccnc2)c(OC)c1 1526512296 VSHSTMKHPSVVPS-RAXLEYEMSA-N 312.369 3.165 10 10 DGCE CCC(=O)c1ccc(C(=O)NCc2c(O)cccc2F)cc1 1558455149 QKHVGNHFRQKSDF-UHFFFAOYSA-N 301.317 3.054 10 10 DGCE Cc1conc1C(=O)NCCc1cc(C)n(-c2ccccc2)c1C 1623739405 PJOIHSLJARKJFO-UHFFFAOYSA-N 323.396 3.363 10 10 DGCE C[C@@H](NC(=O)Cc1ccc2cccnc2c1)c1ccccc1O 1635799167 RVINRIGOPTYYOF-CYBMUJFWSA-N 306.365 3.360 10 10 DGCE COc1ccc(-n2c(C)cc(C(=O)N[C@@H](C)C(F)F)c2C)cc1 1637657100 NOOSAVLWCQBQNK-NSHDSACASA-N 322.355 3.486 10 10 DGCE CCc1ccc([C@H](C)CC(=O)NCc2cc(O)ccc2O)cc1 1643881920 KOSNHEZXXWOBEV-CYBMUJFWSA-N 313.397 3.470 10 10 DGCE C[C@H](Oc1cccc(F)c1)C(=O)NCc1cc(Cl)ccc1O 1644590824 QMNNJKQZTBPQNO-JTQLQIEISA-N 323.751 3.268 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)[C@H]1CSCCS1 1647791279 MXMSYDOYPCPGLX-OAHLLOKOSA-N 319.451 3.010 10 10 DGCE CN1CCN(Cc2ccc(N(C)C)cc2)[C@@H](Cc2ccccc2)C1 1659281333 UWZKTCHHMAEKNN-NRFANRHFSA-N 323.484 3.111 10 10 DGCE COc1ccccc1-n1c(C)cc(C(=O)NCC(C)C)c1C 1874022924 WKDLXOYVZRKNPO-UHFFFAOYSA-N 300.402 3.489 10 10 DGCE CN(CCc1ccc(N)cc1)Cc1nccn1Cc1ccccc1 1915014045 PWEBJQSARRZYSA-UHFFFAOYSA-N 320.440 3.188 10 10 DGCE CC(C)(CO)N(Cc1ccccc1)c1ccc(CN)cc1F 1915753918 NTYZVTJGIOTKCG-UHFFFAOYSA-N 302.393 3.062 10 10 DGCE CN[C@@H](CN(C(=O)OC(C)(C)C)C(C)C)c1ccccc1O 1928471629 WGZFJXXSVIBZDZ-AWEZNQCLSA-N 308.422 3.298 10 10 DGCE C[C@H](N[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)c1cc(F)ccc1O 1938282340 PVMFEPKHFKHUBB-DRZSPHRISA-N 324.396 3.238 10 10 DGCE C[C@@H]1CCS[C@@H]1CNCc1cc(Br)ccc1O 1945606858 CGEKWPMWCHQPKZ-NOZJJQNGSA-N 316.264 3.386 10 10 DGCE Oc1c(Br)cccc1CNCCC1CC(F)C1 1947682010 BTNFIKWZUKDHID-UHFFFAOYSA-N 302.187 3.383 10 10 DGCE CN(CCN=[N+]=[N-])[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 1962302903 DCMGDUDLBXCFOY-XQQFMLRXSA-N 309.414 3.017 10 10 DGCE Oc1c(Cl)cccc1CN[C@@H]1CCCC2(CC1)OCCO2 1967790041 FWZXDHIXHYZIJI-CYBMUJFWSA-N 311.809 3.211 10 10 DGCE O=C(O)[C@@H]1CCCCN(Cc2cc(Cl)cc(Cl)c2O)C1 1972911645 YOQRWPKIOPOPBG-SECBINFHSA-N 318.200 3.386 10 10 DGCE Cc1cccc(O)c1CN[C@]1(C)CCN(Cc2ccccc2)C1 1976899471 YPVOYGNLIDAYDI-HXUWFJFHSA-N 310.441 3.455 10 10 DGCE C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1Cc1ccc(N)cc1 1977925381 HGRAEYXSKKNMNI-UKRRQHHQSA-N 319.449 3.004 10 10 DGCE C[C@@H]1CC[C@](NC(=O)OC(C)(C)C)([C@H](N)c2ccccc2O)C1 1990399588 JNWFPDWIRWJROI-CDHAZOANSA-N 320.433 3.476 10 10 DGCE Oc1ccc(Br)cc1CNCC1(Cl)CCC1 1991666521 LAYSJTYJOSVYFR-UHFFFAOYSA-N 304.615 3.406 10 10 DGCE OCc1ccc(N2CC[C@@H](CCF)C2)c(Br)c1 2001380196 DRRNGUPEQGMOAK-SNVBAGLBSA-N 302.187 3.127 10 10 DGCE C[C@]1(F)C[C@H](CNCc2ccc(Br)cc2O)C1 2021327417 UGEHVQIFTLZVJU-GMZHKTEUSA-N 302.187 3.383 10 10 DGCE CN(C)c1ccc([C@](C)(N)c2cnn(Cc3ccccc3)c2)cc1 2024700830 VWZWEGYYCALKPM-FQEVSTJZSA-N 320.440 3.220 10 10 DGCE Cc1cc(N2CCC(=CBr)C2)ccc1C[C@@H](C)N 2052254003 DSMIYESORASPEU-GFCCVEGCSA-N 309.251 3.374 10 10 DGCE CO[C@H](C)CCN(C)c1ccc([C@H](C)O)cc1Br 2059358920 JBHFPZLSFMKZTM-MNOVXSKESA-N 316.239 3.364 10 10 DGCE COc1ccc(O)c(Cn2nc(C3CCCCC3)cc2CN)c1 2070097581 PXILUEDTMHKNON-UHFFFAOYSA-N 315.417 3.152 10 10 DGCE C[C@H](c1cc([N+](=O)[O-])ccc1O)n1ncc(C2CCCC2)c1N 2070216564 BIXQDZQRGQGGFX-SNVBAGLBSA-N 316.361 3.346 10 10 DGCE Oc1c(F)cccc1Cn1ncc(C2CC2)c1Br 2070260197 VGSXTDWHJJAJHJ-UHFFFAOYSA-N 311.154 3.416 10 10 DGCE CNCc1ccc(N(C)CCn2cccc2)c(Br)c1 2115199816 QANJLCKLPSVEIB-UHFFFAOYSA-N 322.250 3.106 10 10 DGCE CN(c1ccc(CO)cc1Br)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21 2116352313 AOAIPPMITXBXIY-QCPCCJPKSA-N 322.246 3.422 10 10 DGCE CN[C@@H](C)c1cc(F)c(N2CCP(C)(=O)CC2)c(F)c1 2194690388 OIORDEVFMDYCQE-JTQLQIEISA-N 302.305 3.058 10 10 DGCE NC[C@]12CCC[C@@H]1CCN2Cc1cc(Cl)cc(Cl)c1O 2197337521 BKOVHVIQOQDGQY-IAQYHMDHSA-N 315.244 3.402 10 10 DGCE CSc1ncc(CNCc2cccc([N+](=O)[O-])c2C)s1 2208601471 GSJVCAAOSFUSPY-UHFFFAOYSA-N 309.416 3.371 10 10 DGCE COc1ccc(N(Cc2ccccc2)C[C@H](C)O)c(OC)c1C 2246035401 XLWRGXPKOOHCSU-AWEZNQCLSA-N 315.413 3.400 10 10 DGCE CC1(CSc2ncc(C(=N)N)s2)CC(C(F)(F)F)C1 2278750942 WCNOKGXHGYDHGA-UHFFFAOYSA-N 309.382 3.498 10 10 DGCE Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)C=Cc1cncc(F)c1 2297781779 YCMDNZMEDUQGCJ-ZDUSSCGKSA-N 312.344 3.356 10 10 DGCE CSc1cccc(N(C)C(=O)C=Cc2ccc(O)c(O)c2)c1 2308000687 LYXVMQJEPAYKER-UHFFFAOYSA-N 315.394 3.496 10 10 DGCE CC12CC(C1)[C@H](NCc1cc(Cl)cc(Cl)c1O)CO2 2337706508 ODBIDSYBRPISRU-VTGPFMDVSA-N 302.201 3.356 10 10 DGCE COc1ccc2c(c1)C(=O)N(C1CC1)[C@H](c1ccccc1O)N2 106899784 CSNSHYBTGWVGPI-QGZVFWFLSA-N 310.353 3.130 10 10 DGCE Nc1ccc(NC(=O)Cc2ccccc2Br)cc1 237858408 RKYZRKNIQBDZSQ-UHFFFAOYSA-N 305.175 3.213 10 10 DGCE CCc1ccc([C@@H](COC)NCc2ccc3c(c2)CCN3C)o1 123600989 LXCUWQLVPCUTGZ-QGZVFWFLSA-N 314.429 3.312 10 10 DGCE COCCNCc1ccc(N2C[C@H](C)S[C@@H](C)C2)c(C)c1 70384627 HAZVVVXIOSSUIR-GJZGRUSLSA-N 308.491 3.061 10 10 DGCE Oc1cccc([C@H](c2c[nH]c3ccccc23)n2ccnc2)c1O 71708816 ZKRSSEWKVNTSJZ-QGZVFWFLSA-N 305.337 3.413 10 10 DGCE COc1ccc(O)c([C@H](C)Nc2cccc(CCCO)c2)c1 317064754 FPUCPWLRQWUFBC-ZDUSSCGKSA-N 301.386 3.499 10 10 DGCE C[C@H](N[C@H](C)c1nnc2n1CCCC2)c1cc(Cl)ccc1O 185585187 ILQHPGRIMHSUNH-WDEREUQCSA-N 320.824 3.385 10 10 DGCE [N-]=[N+]=NCCNC(=O)/C=C\c1cc(Br)ccc1F 701300893 IIBJPKBQLCQFIX-RJRFIUFISA-N 313.130 3.028 10 10 DGCE CCOCc1nc([C@@H](C)N[C@@H](C)c2ccc(C)cc2O)no1 290200338 PCAOBAVCMGTDHM-NWDGAFQWSA-N 305.378 3.032 10 10 DGCE O=C(NCc1cccc(Br)c1O)C(F)=C1CCC1 819515180 VRINFUNWROHRDK-UHFFFAOYSA-N 314.154 3.178 10 10 DGCE Cc1ncsc1/C=C/C(=O)N1CCc2c(F)ccc(F)c21 814425486 AATXQGRRBQUIGX-SNAWJCMRSA-N 306.337 3.332 10 10 DGCE Cc1ncccc1/C=C\C(=O)N[C@H](C)c1ccc(N(C)C)cc1 829818664 ZLZMEHODBFCQHS-HMVFGEFZSA-N 309.413 3.347 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@]2(C)CCCC[C@H]2C(=O)O)cc1 901823217 NMQVCZIQPVVOTK-LOYZYROESA-N 316.445 3.389 10 10 DGCE CCN(CC)c1ccc(CN[C@](C)(CC(=O)O)C2CC2)cc1 901949491 GXGIMHZEGUOQLC-GOSISDBHSA-N 304.434 3.266 10 10 DGCE C[C@@H](CC(=O)NCc1cc(Cl)ccc1O)c1cccnc1 846476711 OVLKKBXTVNFOJH-NSHDSACASA-N 304.777 3.251 10 10 DGCE NCc1ccc2c(c1)CCCN2CCOc1cccc(F)c1 843349765 AXDQUIXNRJRLPA-UHFFFAOYSA-N 300.377 3.116 10 10 DGCE COc1ccc(N2CCN(C[C@@H]3C[C@H](C)O[C@H](C)C3)CC2)cc1 929152905 IPTSKQMQWAGRMQ-FVQHAEBGSA-N 318.461 3.021 10 10 DGCE CCc1noc([C@@H]2CC[C@@H](N[C@@H](C)c3ccccc3O)C2)n1 927050916 VSGSEMHXCOOTQY-YNEHKIRRSA-N 301.390 3.325 10 10 DGCE COc1cccc([C@@H](C)N[C@H]2COc3cccc(C)c3C2)c1O 858459944 OTRKZGGXOAOYJJ-ZIAGYGMSSA-N 313.397 3.364 10 10 DGCE C[C@@H](CNC(=O)NCCc1ccc(N)cc1)C1CCCCC1 851664984 NGPOIXVOIYWJKL-AWEZNQCLSA-N 303.450 3.327 10 10 DGCE CC(C)OCc1ccc(C(=O)NCc2c(O)cccc2F)cc1 928707799 BUBBQLAJZYAJEZ-UHFFFAOYSA-N 317.360 3.386 10 10 DGCE C[C@H](NC[C@H]1c2ccccc2C(=O)N1C)c1ccc(N(C)C)cc1 858528898 HBUTUKKSTSTCOC-LIRRHRJNSA-N 323.440 3.230 10 10 DGCE COc1ccc(N2CC[C@H](N[C@@H]3CCCSCC3)C2)cc1 850489181 WGENMJRGCYZOIY-CABCVRRESA-N 306.475 3.149 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1[C@@H](COc2ccc(N)cc2)C1(C)C 1952925315 OGPXGTNMXQANMP-ZIAGYGMSSA-N 306.406 3.197 10 10 DGCE COc1ccc(C[C@@H](C)C(=O)N2Cc3cccc(O)c3C2)cc1 871203042 LDTFOQWXPHAVCQ-CYBMUJFWSA-N 311.381 3.122 10 10 DGCE CC[C@@H]1COC[C@H]1N(C)Cc1cccc(Br)c1O 710917661 HILGYFXNTSOOGP-ZWNOBZJWSA-N 314.223 3.012 10 10 DGCE CCc1[nH]nc(NC(=O)c2cc3cc(O)c(O)cc3s2)c1C 1162831929 VPMXQLVUKDUIOK-UHFFFAOYSA-N 317.370 3.159 10 10 DGCE CN(CCN=[N+]=[N-])C(=O)C=Cc1ccccc1Br 1912147199 HKGZUARDHHFNFT-UHFFFAOYSA-N 309.167 3.231 10 10 DGCE C[C@@H](OCc1ccccc1)C(=O)N1CCC[C@H](CN=[N+]=[N-])C1 1912204211 VMFYFIVLEISYBJ-UKRRQHHQSA-N 302.378 3.141 10 10 DGCE Cc1cccn2cc(C(=O)NCc3ccc(N(C)C)cc3)cc12 1463728596 WTZSIPWYQJCKIX-UHFFFAOYSA-N 307.397 3.244 10 10 DGCE CCC(C)(C)C(=O)N(C)C[C@@H](C)NCc1ccc(OC)c(C)c1 1700763713 HOERHFFJXOTYMB-OAHLLOKOSA-N 320.477 3.376 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)/C(C)=C\c2ccncc2)c1 1622780007 ZWIJMANADWQYIQ-UKVQZPPCSA-N 312.369 3.077 10 10 DGCE C[C@@H](NC(=O)c1n[nH]c2ccc(Cl)cc12)c1ccccc1O 1632246373 FQYSNMQQPOHZKS-SECBINFHSA-N 315.760 3.413 10 10 DGCE C[C@H](NCCC(=O)Nc1cccc(F)c1)c1ccccc1O 1560075245 YMLOSTBHMFZZKY-LBPRGKRZSA-N 302.349 3.211 10 10 DGCE O=C(NCc1c(O)cccc1O)C1(CCc2ccccc2)CC1 1647289697 HLMHEGIWDIAZIH-UHFFFAOYSA-N 311.381 3.127 10 10 DGCE Oc1c(Cl)cccc1CNc1ccc(C(F)(F)F)nn1 1640520498 BVNAAFJZHMYMPY-UHFFFAOYSA-N 303.671 3.467 10 10 DGCE COC(=O)c1cc(OC[C@@H]2CC[C@H]3C[C@@H]3C2)ccc1N(C)C 1641368748 TYBISABBDXSEKC-RDBSUJKOSA-N 303.402 3.354 10 10 DGCE CO[C@H]1C[C@H](NCc2cc(Cl)cc(C(C)=O)c2O)C1(C)C 1658693054 JDDFDYLAPGHBIE-KBPBESRZSA-N 311.809 3.151 10 10 DGCE CCNCc1ccc(N(C)[C@H]2CCOC2)cc1C(F)(F)F 160118079 ITGSQUSBFXOBMQ-ZDUSSCGKSA-N 302.340 3.040 10 10 DGCE Nc1ccc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1 160413104 ZVOXPINLOGXPHB-UHFFFAOYSA-N 314.345 3.008 10 10 DGCE CCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1ccc(N(C)C)cc1 167772337 CTVDATPNZADUOP-BBRMVZONSA-N 313.449 3.092 10 10 DGCE CC(C)c1cccc2c(=O)c(C(=O)Nc3ccc(N)cc3)c[nH]c12 1866420222 OSGTUVFXRJMTRX-UHFFFAOYSA-N 321.380 3.486 10 10 DGCE CC(C)(C)OC(=O)NC1CC2(C1)C[C@@H]2[C@@H](N)c1ccccc1O 1940166186 UXYDKPXWAJYHCD-KYFGCJBCSA-N 318.417 3.085 10 10 DGCE CC(C)[C@H]([C@@H](N)c1ccccc1O)N(C)C(=O)OC(C)(C)C 1962445347 HBEMNWKEOOPNFS-LSDHHAIUSA-N 308.422 3.284 10 10 DGCE Oc1cc(Br)ccc1CN[C@@H]1CC[C@@H]2[C@@H]1C2(F)F 1967819296 IMLDLTLBZIZPDG-FOGDFJRCSA-N 318.161 3.288 10 10 DGCE Cc1cccc(CN[C@H]2CC[C@@H]2CNC(=O)OC(C)(C)C)c1O 1986710862 YRVXFBLZHJHQHJ-HIFRSBDPSA-N 320.433 3.094 10 10 DGCE CC[C@@H](CCNCc1cc(Br)ccc1O)COC 2034913603 KKOACVQIPIXJJY-NSHDSACASA-N 316.239 3.307 10 10 DGCE CCN1CC[C@@H](N(C)Cc2cc(Cl)cc(Cl)c2O)C1 688559751 INJKSBGHLVGYKL-GFCCVEGCSA-N 303.233 3.225 10 10 DGCE CS[C@H]1CCN(c2ccc([C@@H](C)N)c(Br)c2)C1 382957109 NHZOCRLCXJZMGG-KOLCDFICSA-N 315.280 3.411 10 10 DGCE CCN(CC)c1ccc([C@H](NN)c2cc(Cl)ns2)cc1 2167195516 HOWCZBMYEJFPQX-AWEZNQCLSA-N 310.854 3.195 10 10 DGCE C[C@@H](c1cc(Cl)ccc1O)N(C)[C@H]1COCCC1(F)F 2168228699 XKSYNHGXWSDBHO-ZANVPECISA-N 305.752 3.463 10 10 DGCE CC[C@]12C[C@H]1CN(c1ccc(CN)c(Br)c1F)C2 2048605294 KRPFTAXFMVEAJK-IINYFYTJSA-N 313.214 3.283 10 10 DGCE C[C@@H]1OCC[C@@H]1CCN(C)c1cc(Cl)c(CN)cc1F 2196313241 DUWVMDBHFJQWIN-QWRGUYRKSA-N 300.805 3.189 10 10 DGCE COc1ccc(N(Cc2ccccc2)[C@H](C)CCO)cc1OC 2210905407 LIOQOXMSJJOBDJ-OAHLLOKOSA-N 315.413 3.481 10 10 DGCE OC[C@@]12CCC[C@]1(CNCc1cc(Cl)cc(Cl)c1O)C2 2208158723 CBDWKVDADFUKID-CABCVRRESA-N 316.228 3.341 10 10 DGCE CSc1ncc(CNC[C@@H]2CC3(CO2)CC(F)(F)C3)s1 2284498178 LHAHXYOQBTWYTB-VIFPVBQESA-N 320.430 3.159 10 10 DGCE CC1=NN(c2ccccc2)C(=O)C1=C(O)c1ccc([N+](=O)[O-])cc1 2296661319 IYFMADQFWYYKGK-UHFFFAOYSA-N 323.308 3.287 10 10 DGCE O=C(C=Cc1ccc(Cl)s1)NCCc1ccc(O)c(O)c1 2305628491 ZKVLHKPEDNEBJX-UHFFFAOYSA-N 323.801 3.185 10 10 DGCE CSc1cccc(NC(=O)C=Cc2ccc(O)c(O)c2)c1 2307981903 CJMYCRVSOIOFRH-UHFFFAOYSA-N 301.367 3.472 10 10 DGCE CC=CC[C@@H](CO)N[C@@H](C)c1cc(Br)ccc1O 2309492408 ZUMHXGQEXISFSZ-JQWIXIFHSA-N 314.223 3.132 10 10 DGCE CCCN(CCCN)Cc1ccc(C)c(Br)c1O 2327804012 KHKIPUWKASIHNV-UHFFFAOYSA-N 315.255 3.024 10 10 DGCE CC1(C)CCCN1C(=O)NCc1ccc(N2CCCC2)cc1 77516085 PJJGGAAWRACMKQ-UHFFFAOYSA-N 301.434 3.371 10 10 DGCE C[C@H](NCCOc1ccc(C#N)cc1)c1ccc(F)cc1O 186080129 HFXNBEAHVAUXNI-LBPRGKRZSA-N 300.333 3.133 10 10 DGCE Cc1ccc(Cn2nccc2NCc2cc(F)ccc2O)o1 180837971 SJMXARCWQJXKDZ-UHFFFAOYSA-N 301.321 3.290 10 10 DGCE Cc1ccc([S@](=O)CCCOc2ccc(N)cc2)cc1C 40962495 OMPNZJVHPOGAKI-NRFANRHFSA-N 303.427 3.462 10 10 DGCE C[C@@H](NC(=O)c1cc(Br)co1)c1ccccc1O 1587447532 VVXJDOZBPULOFI-MRVPVSSYSA-N 310.147 3.239 10 10 DGCE C[C@@H](NCC1COC1)c1cc(Br)cc(Cl)c1O 528029214 YMLVPDOJFILSQY-SSDOTTSWSA-N 320.614 3.105 10 10 DGCE COc1ccc(O)c([C@@H](C)N[C@H](CCO)c2ccccc2)c1 273467162 FAHJTUXWGVGPBL-CXAGYDPISA-N 301.386 3.175 10 10 DGCE COc1cc(Cl)cc(CN[C@@H](C)[C@H](O)c2ccccc2)c1O 289998115 CTPCGJNNOVKRAO-ZBEGNZNMSA-N 321.804 3.266 10 10 DGCE CC[C@H](NC[C@H]1CC[C@H](C(N)=O)CC1)c1ccc(C)cc1O 817585685 GXPWBRLZVUZXEL-DZKIICNBSA-N 304.434 3.033 10 10 DGCE C[C@H]1CC2(CCNCC2)CN1C/C=C\c1ccc(N(C)C)cc1 818431711 RIHCJXNPGNPKAD-CHYADLBTSA-N 313.489 3.230 10 10 DGCE CSc1nc(Cl)cc(=NCc2cnc(SC)s2)[nH]1 2257104736 VONYXXMEFIRLNK-UHFFFAOYSA-N 318.880 3.064 10 10 DGCE CSC[C@@H](O)COc1ccc(N2CCCCC2)c(Cl)c1 817571524 QVOWKDPJWWFHFS-LBPRGKRZSA-N 315.866 3.433 10 10 DGCE CCN(CC)C(=O)[C@@H]1CCCN1Cc1cc(Cl)c(C)cc1O 824627616 QOOCMHHPCJRGEZ-HNNXBMFYSA-N 324.852 3.187 10 10 DGCE CN[C@@H](C)c1ccc(N(C)C[C@@H](C)OC)c(Br)c1 384975574 MBOCTPLJHVNCMJ-MNOVXSKESA-N 315.255 3.201 10 10 DGCE C[C@H](CC(F)(F)F)C(=O)NCc1c(O)ccc2c1CCCC2 837480567 KCXWBLRFTCMDCS-SNVBAGLBSA-N 315.335 3.476 10 10 DGCE CCOc1ccccc1CCC(=O)N(C)Cc1ccccc1O 917309070 GWQNXEOBLWRVMG-UHFFFAOYSA-N 313.397 3.382 10 10 DGCE O=C(O)/C=C\c1ccc(N2CC[C@H](F)C2)c(Br)c1 689860929 CHJGUZYNSYEHRY-GQPNGRKGSA-N 314.154 3.095 10 10 DGCE CN(C)c1cc(F)c(CNc2cn(C)nc2C2CC2)cc1F 858166454 NUJNTWTWJJGGHV-UHFFFAOYSA-N 306.360 3.254 10 10 DGCE C/C(=C/C(=O)NCc1ccccc1O)c1ccc([N+](=O)[O-])cc1 752596417 MLNPVPPNHILMHY-BENRWUELSA-N 312.325 3.020 10 10 DGCE C[C@H](NCC1(CC(N)=O)CCCCC1)c1ccc(F)cc1O 850573977 UNJDZMIAHDDYPV-LBPRGKRZSA-N 308.397 3.008 10 10 DGCE CN(C)c1ccc(/C=C/CNC[C@@H]2Cc3ccccc3CO2)cc1 858211695 KYBSMJOWDQGBSX-LYSGITKLSA-N 322.452 3.497 10 10 DGCE CC(C)(C)OC(=O)Nc1ccc(O)c([C@@H]2CSCCN2)c1 1952895187 FIWTZLSENLJZAI-LBPRGKRZSA-N 310.419 3.117 10 10 DGCE C[C@@H]1CC(=O)N(C)c2ccc(NC(=O)c3cc(O)cs3)cc21 863539713 IIVLJWGKKZMYHQ-SECBINFHSA-N 316.382 3.176 10 10 DGCE C[C@H](NC(=O)[C@H](CCCO)c1ccccc1)c1ccccc1O 1123869638 VJEDUHIWYLBOEY-WMLDXEAASA-N 313.397 3.126 10 10 DGCE Cc1cccc(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1 773219115 KVHKPNIYWQLSOB-AWEZNQCLSA-N 312.417 3.016 10 10 DGCE C[C@H](Cc1ccc(N)cc1)NC1CCN(Cc2ccccc2)CC1 71428817 AGVLQAACNCXANA-QGZVFWFLSA-N 323.484 3.454 10 10 DGCE O=C(c1cc2cc(O)c(O)cc2s1)N1CCCC12CCC2 897581497 RSKWEBPBKMKTDE-UHFFFAOYSA-N 303.383 3.471 10 10 DGCE CC(C)(C)OC(=O)NC1CC(N[C@@H]2CCc3cccc(O)c32)C1 393977430 XNJQTOIATBWTGZ-JXQTWKCFSA-N 318.417 3.025 10 10 DGCE COCCCN(CCOC)[C@@H](C)c1cc(Cl)ccc1O 133099599 FHXZDODDGOGJGG-LBPRGKRZSA-N 301.814 3.092 10 10 DGCE CCOC(=O)CN(Cc1c(O)ccc(Cl)c1F)C1CCC1 792174779 HVHHTTSYJJBDHM-UHFFFAOYSA-N 315.772 3.102 10 10 DGCE C[C@H](NCC1CCC2(CC1)OCCO2)c1ccc(F)cc1O 193381127 JERYGRUHKUAIDR-LBPRGKRZSA-N 309.381 3.115 10 10 DGCE CSC1(CNC(=O)c2ccc(C)c(O)c2O)CCCCC1 1155560935 CHQKSDWFMVPBND-UHFFFAOYSA-N 309.431 3.202 10 10 DGCE Cc1ccc(CNCc2ncccc2Br)c(O)c1 1665911522 VOBCEMXKPOTELY-UHFFFAOYSA-N 307.191 3.148 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Cc1ccccc1 1325556056 RMSSXIXHZPWRRX-MRXNPFEDSA-N 310.441 3.351 10 10 DGCE O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCC[C@@H](F)C1 1348957287 FOSMVSZZTACFLD-HZPDHXFCSA-N 304.409 3.431 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)/C=C\c1ccco1 1436857695 VCZUBGXGMJCHOF-KVPUOBJLSA-N 312.413 3.415 10 10 DGCE C[C@@H](CO)N(Cc1ccccc1)c1ccc(CN)cc1Cl 1914365420 PITQQEOPCNDQGK-ZDUSSCGKSA-N 304.821 3.186 10 10 DGCE Cc1cc(CNC(=O)c2cscn2)c(C)n1-c1ccccc1 1544080095 KAFKYNKAYIFTEE-UHFFFAOYSA-N 311.410 3.481 10 10 DGCE C[C@H]1CC[C@@](O)(CNCc2cc(Cl)cc(Cl)c2O)C1 2136895310 WNVBRARGJZXHPN-XPTSAGLGSA-N 304.217 3.340 10 10 DGCE CC[C@H](C)CC(=O)NC[C@@H](C)NCc1ccc(OC)c(C)c1 1491441021 IFSLILXCLHYHBC-DZGCQCFKSA-N 306.450 3.034 10 10 DGCE Cc1cc(F)ncc1C(=O)NCc1c(O)ccc2ccccc12 1635969584 UBIPBZIFTJFLSI-UHFFFAOYSA-N 310.328 3.318 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2Cc1ccc(F)c(F)c1 1642566962 GCSVEYZSSQXECC-UHFFFAOYSA-N 304.340 3.430 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N(C)Cc2cnc[nH]2)cc1 1645306455 SHQXAVRFVMGIQL-UHFFFAOYSA-N 308.385 3.089 10 10 DGCE COc1ccc(/C=C\C(=O)NCc2cccc(Cl)c2O)cc1 1640405519 WBLXXUTUJPFIIF-YFHOEESVSA-N 317.772 3.384 10 10 DGCE Cc1cccc(-n2c(C)cc(CNC(=O)[C@@H]3CCCO3)c2C)c1 1587881228 SPGQRJUYKSAZFV-SFHVURJKSA-N 312.413 3.198 10 10 DGCE CCN[C@@H](c1ccccc1O)[C@H](C)N(C)C(=O)OC(C)(C)C 1928469518 IVIZKJXBJTYOCG-SWLSCSKDSA-N 308.422 3.298 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H]1CCNc1ccc(N)cc1 1959377332 MHRBEGYGZFFBPU-OAHLLOKOSA-N 305.422 3.470 10 10 DGCE COc1cc(CN2CCO[C@H](c3cccs3)C2)c(O)cc1C 160413568 ISHZYHMEQUWLRD-INIZCTEOSA-N 319.426 3.344 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCC[C@](N)(c2ccccc2O)C1 1933867309 RZDBLMXPWNEMRY-SJKOYZFVSA-N 306.406 3.014 10 10 DGCE CN[C@@H]1C(=O)Nc2cc(N(Cc3ccccc3)C3CCC3)ccc21 1946886582 NFWTVLQHKPHQJT-IBGZPJMESA-N 321.424 3.458 10 10 DGCE CC(C)(C)OC(=O)Nc1ccc(C(=O)NCCCN=[N+]=[N-])cc1 1963697820 FNLMQEQNOXEQLK-UHFFFAOYSA-N 319.365 3.464 10 10 DGCE [N-]=[N+]=NCCNC(=O)c1ccc(OC(F)(F)F)c(Cl)c1 1963809872 WTDVMBYIHBXVNC-UHFFFAOYSA-N 308.647 3.279 10 10 DGCE CC[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)[C@H]1C(=O)O 1968201323 GXHAMVFSGCCBTM-QPUJVOFHSA-N 318.200 3.384 10 10 DGCE C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)CN1c1ccc(N)cc1 1977968369 PNZZJFJFQNAHPQ-ZIAGYGMSSA-N 319.449 3.398 10 10 DGCE C[C@@H](CN(C)Cc1cc(Br)ccc1O)C(F)F 2012204271 XBQXOJPYHNECTC-QMMMGPOBSA-N 308.166 3.488 10 10 DGCE CN[C@@H](C)c1ccc(N2CC=C(Br)CC2)cc1O 2031533648 WHLZRRVDUZZXFB-JTQLQIEISA-N 311.223 3.162 10 10 DGCE C[C@@H]1C[C@H](N(C)c2ccc([C@@H](C)N)c(Br)c2)CO1 401560709 GHQCFCZPQLLPRF-FOGDFJRCSA-N 313.239 3.082 10 10 DGCE CN(C(=O)OC(C)(C)C)C(C)(C)CNCc1ccccc1O 309975226 QKWCAAXMMMDUOS-UHFFFAOYSA-N 308.422 3.127 10 10 DGCE CN[C@H](CSc1nccs1)c1ccc(OC)cc1OC 81889177 NGYYNDFKYJEYOS-GFCCVEGCSA-N 310.444 3.213 10 10 DGCE CC[C@H](c1cc(C)c(C)cc1O)n1nc(C2(C)CC2)c(N)c1N 2080007210 OLSBZQKOGREOCH-CYBMUJFWSA-N 314.433 3.421 10 10 DGCE Oc1cccc(Br)c1CNC[C@@H]1C[C@@H]1C(F)(F)F 2041780213 OKTYTTROKFOOPI-CBAPKCEASA-N 324.140 3.443 10 10 DGCE Oc1c(Cl)cccc1CNCC(F)(F)C1CCOCC1 2185380805 RDMCKDCBPJCSPD-UHFFFAOYSA-N 305.752 3.197 10 10 DGCE CNCc1ccc(N(C)[C@@H]2[C@H]3C[C@@H]3[C@H]3C[C@H]32)cc1Br 2110309973 QMQGDLVGMRWMKY-FAHYXWLWSA-N 321.262 3.259 10 10 DGCE O=S(=O)(Nc1cc(Cl)c(O)c(Cl)c1)C1CC2(CC2)C1 2097541356 QMDNMWPSIDBQPX-UHFFFAOYSA-N 322.213 3.383 10 10 DGCE COC(=O)[C@@H](NCCCN=[N+]=[N-])c1cc2sccc2s1 2205532028 WXNSOJNZXXCAPK-NSHDSACASA-N 310.404 3.467 10 10 DGCE C[C@H](O)c1ccc(N(C)C[C@H](F)[C@H]2CCOC2)c(Cl)c1 2238344592 XZLHEGJQOHZXKL-JKOKRWQUSA-N 301.789 3.204 10 10 DGCE Cc1ncc(Br)cc1NCc1cccc(O)c1O 2254032767 DJPOKRSWMWWJSJ-UHFFFAOYSA-N 309.163 3.176 10 10 DGCE C[C@@H](CF)N(C)c1ccc(CNC2CC2)cc1Br 2257928849 OYAMUMQOUQTPDI-JTQLQIEISA-N 315.230 3.495 10 10 DGCE CC[C@H](NCC[C@@H]1CCO1)c1cc(Br)ccc1O 2264021333 JOCILSASHWZHRD-YPMHNXCESA-N 314.223 3.374 10 10 DGCE C[C@@H](Nc1cnncc1Br)c1cc(F)ccc1O 2264156455 UIXOYXRPOLHEIO-SSDOTTSWSA-N 312.142 3.257 10 10 DGCE C[C@H](O)c1ccc(N2CCO[C@@H](P(C)(C)=O)C2)c(Cl)c1 2289324298 WPTYZJRNPCSSQE-HZMBPMFUSA-N 317.753 3.179 10 10 DGCE COC(=O)c1cnc(C=Cc2ccc3c(c2)CCN3C)s1 2303184953 XGHPMHYIMLVGBO-UHFFFAOYSA-N 300.383 3.092 10 10 DGCE CCN(CCN=[N+]=[N-])C(=O)c1c(Cl)ccc(Cl)c1N 2337775489 ARFUDQXRADUIIB-UHFFFAOYSA-N 302.165 3.348 10 10 DGCE CO[C@@H](C)c1cccc(NC(=O)c2ccc(C)c(O)c2O)c1 179474039 KPOLHZHRZLLVIP-NSHDSACASA-N 301.342 3.366 10 10 DGCE CN(C)c1ccc(CNC(=O)N2CCC[C@H]2c2ccco2)cc1 116406055 LWXHUOBCGTZZNV-INIZCTEOSA-N 313.401 3.392 10 10 DGCE C[C@@H](N[C@H]1CCCn2ncnc21)c1ccc2ccccc2c1O 185662881 SIPOXWFJGGHURO-WBMJQRKESA-N 308.385 3.323 10 10 DGCE CC[C@H](NC[C@@H](O)Cc1ccccc1)c1ccc(N(C)C)cc1 132091013 GELOWOKUIHKCPX-PMACEKPBSA-N 312.457 3.397 10 10 DGCE COc1cc(OC)c(N2CCN3CCCC[C@@H]3C2)cc1Cl 94432144 OELMJPSZHAVLOF-GFCCVEGCSA-N 310.825 3.032 10 10 DGCE Cc1cc(O)ccc1NS(=O)(=O)Cc1ccccc1Cl 242853255 GAVMQFGTYYFDAE-UHFFFAOYSA-N 311.790 3.296 10 10 DGCE Cc1cc(O)c(CN2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)cc1C 373735962 KUAVIIHJJIZMKJ-BXWFABGCSA-N 319.445 3.167 10 10 DGCE COc1ccc(O)c([C@@H](C)NCc2ccnc(OC(F)F)c2)c1 284282518 HQFQILXOWRQLPS-SNVBAGLBSA-N 324.327 3.248 10 10 DGCE CC(C)n1ncc2c1C[C@H](NCc1cc(Cl)ccc1O)CC2 372760739 CEWUEIDCPOHACZ-OAHLLOKOSA-N 319.836 3.470 10 10 DGCE O=C(OCc1cncc(C(F)(F)F)c1)c1cc(O)cs1 812586158 YBEZHZBVJLJLAM-UHFFFAOYSA-N 303.261 3.225 10 10 DGCE COc1ccc(N(Cc2nn(C)cc2Cl)CC2CC2)cc1 817276583 JQNJQGDGGWZPEQ-UHFFFAOYSA-N 305.809 3.499 10 10 DGCE COC(=O)CC(C)(C)C[C@H](C)N[C@H](C)c1cc(OC)ccc1O 825934879 LXXAKSGBSHQOAN-QWHCGFSZSA-N 323.433 3.419 10 10 DGCE Cc1cc(CNC(=O)Cc2cc(C)n(-c3ccccc3)c2C)on1 823823445 SCAQYWIGLKMKRQ-UHFFFAOYSA-N 323.396 3.249 10 10 DGCE Cc1cc(CC(=O)N(C)Cc2ncc[nH]2)c(C)n1-c1ccccc1 826833248 AJZSCGRKYWLSPT-UHFFFAOYSA-N 322.412 3.018 10 10 DGCE CN(C)c1ccc(CN(C(=O)NC2C[C@H]3C[C@@H]3C2)C2CC2)cc1 824860403 UHRDSFSVYYLDPZ-HUUCEWRRSA-N 313.445 3.225 10 10 DGCE CN(C)c1ccc(/C=C/CNC[C@]2(C)CCCC[C@H]2O)cc1 835041885 FPNRTMYOPZRERB-KAGICYHLSA-N 302.462 3.297 10 10 DGCE CCCN(CCC)c1ccc(CN2CC[C@@](F)(C(=O)O)C2)cc1 901515989 ODVXDRBKJMPBMP-SFHVURJKSA-N 322.424 3.312 10 10 DGCE CCN1C(=O)/C(=C/c2occc2Br)SC1=S 735304036 DEKGDSXXTNLPLA-YVMONPNESA-N 318.217 3.263 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@@H](CN)C2CCCCC2)cc1 841039401 NLVOZRPHMKQYNE-RURPWVQCSA-N 301.478 3.263 10 10 DGCE COc1cccc(O)c1CNCC[C@@H]1CCc2ccccc2N1 844904288 GVOVLUZLVDWFQX-HNNXBMFYSA-N 312.413 3.307 10 10 DGCE Cc1cc(N(C)C)ccc1CN1CCC[C@@H]([C@H]2CCOC2)C1 840920808 JYWIZTZWFKFXNW-MSOLQXFVSA-N 302.462 3.310 10 10 DGCE O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC12CCCC2 845001876 FMIYFLJCJAIDTP-UHFFFAOYSA-N 311.429 3.291 10 10 DGCE C[C@H](N[C@H]1C[C@@H](O)c2ccccc21)c1cc([N+](=O)[O-])ccc1O 850528182 JDORVKOQLNOXDV-GLZQIGESSA-N 314.341 3.129 10 10 DGCE CCO[C@H]1C[C@H](NCc2cc(OC)cc(C(C)(C)C)c2O)C1 850362879 SZMYFORAABEFDR-CTYIDZIISA-N 307.434 3.355 10 10 DGCE Oc1ccccc1CN(Cc1ccnc(F)c1)C[C@@H]1CCCO1 859191074 USKQSUBFEHYNDH-INIZCTEOSA-N 316.376 3.108 10 10 DGCE CCOc1ccc(N(CCc2nnc(C)o2)CC2CC2)cc1 931378829 FJHVPWARQPSGET-UHFFFAOYSA-N 301.390 3.236 10 10 DGCE CC[C@H](C)[C@H](NC(=O)N1Cc2cccc(O)c2C1)C(F)(F)F 931097773 ZQARJNGGUYHXRG-ZANVPECISA-N 316.323 3.394 10 10 DGCE CN(C)c1cc(F)c(CN2CCC[C@H]3COCC[C@H]32)cc1F 862252412 TWJVLSKDOZJSIH-BLLLJJGKSA-N 310.388 3.032 10 10 DGCE CC[C@H](NCc1ccc2c(c1)CCCN2C)[C@H]1CCCOC1 872029556 RUJPXVDIJDWZEF-ROUUACIJSA-N 302.462 3.364 10 10 DGCE CC[C@@H]1CCCCCN1Cc1ccc([N+](=O)[O-])c(OC)c1O 774904292 GIFKSIMDKDOQSE-CYBMUJFWSA-N 308.378 3.464 10 10 DGCE CN(C)c1ccc([C@@H](CNC(=O)/C=C/C(C)(C)C)N(C)C)cc1 1158718422 XRRZHGJDXWOLKH-GZKZCVOOSA-N 317.477 3.074 10 10 DGCE Oc1cc(Br)ccc1CN1[C@H]2CC[C@H]1[C@H]1CC[C@H]2O1 1901241234 XPNTXINUZAEVNS-DDHJSBNISA-N 324.218 3.049 10 10 DGCE CN(Cc1ccccc1O)C(=O)Cc1cncc2ccccc12 1294673276 AOILMRLRHIAEPQ-UHFFFAOYSA-N 306.365 3.142 10 10 DGCE Cc1nnc(N(C)Cc2ccccc2O)n1CC1CCCC1 1543150697 HFHOYWVGAVWQFC-UHFFFAOYSA-N 300.406 3.119 10 10 DGCE C/C(=C/c1cccnc1)C(=O)N1CCOc2c(F)cc(F)cc21 1616246393 OHGYCXNTTJOAQW-XFFZJAGNSA-N 316.307 3.189 10 10 DGCE CCN(Cc1cccc(Cl)c1)C(=O)Cc1ccc(O)c(O)c1 1540716953 RACTUYZZQMFYOM-UHFFFAOYSA-N 319.788 3.342 10 10 DGCE C[C@H](NC(=O)c1onc2ccccc12)c1ccc(N(C)C)cc1 1567778890 LDTUDNQRDIQLTI-LBPRGKRZSA-N 309.369 3.385 10 10 DGCE COc1ccc2c(c1)C[C@@H](C(C)C)CN2CCOC(=O)N(C)C 1654793616 RTGVQFTUVNHYOG-OAHLLOKOSA-N 320.433 3.028 10 10 DGCE O=C(NCCCc1cccc(Cl)c1)c1c(F)ccc(O)c1O 1654534142 KTPSEMDGFWLYDZ-UHFFFAOYSA-N 323.751 3.253 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)c1ccc2c(c1)COC2 1583816925 OMCNDRFOEKDBRY-UHFFFAOYSA-N 303.745 3.006 10 10 DGCE COc1cc(NCc2ccc(N)cc2)c(N)cc1Br 2137745808 SZXBTGGVDNMGBU-UHFFFAOYSA-N 322.206 3.234 10 10 DGCE COc1ccc(C2=NN(C)C(=O)/C2=C/c2ccccc2F)cc1 1865654322 QFJSDVFVQOYXLN-RVDMUPIBSA-N 310.328 3.094 10 10 DGCE CCN1N=C(c2ccccc2)/C(=C/c2ccc(C(=O)O)cc2)C1=O 1865675550 NLEPKMPAOJJXIJ-VBKFSLOCSA-N 320.348 3.035 10 10 DGCE CCc1nc(Br)cc(=N[C@@H](C)c2ccccc2O)[nH]1 1877578187 JPUYYDWFYCGUEK-VIFPVBQESA-N 322.206 3.102 10 10 DGCE CCCN[C@](CSc1nccs1)(CC(C)C)C(=O)O 2142866148 ZEZJAVQIHRGEIX-ZDUSSCGKSA-N 302.465 3.104 10 10 DGCE C[C@H]1CCCN(CCN=[N+]=[N-])[C@H]1CCNC(=O)OC(C)(C)C 1962305514 SUEWFCGQKNCSLP-STQMWFEESA-N 311.430 3.312 10 10 DGCE CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](N)c1ccc(N(C)C)cc1 1977944475 GMWYBROUQIHMJZ-BBRMVZONSA-N 321.465 3.303 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCN(CCN=[N+]=[N-])C1 1982242443 NOVDXTGGMSOVNF-UONOGXRCSA-N 323.441 3.408 10 10 DGCE Oc1ccc(Cl)cc1CN1CCOC[C@@H]1CC(F)(F)F 2150470614 SKGSBXFHFQFHCG-NSHDSACASA-N 309.715 3.199 10 10 DGCE C[C@@H](N[C@H]1CN(C(=O)OC(C)(C)C)C1(C)C)c1ccccc1O 1989694319 KOWWPGKHITWQBL-DOMZBBRYSA-N 320.433 3.441 10 10 DGCE Cc1cccc(COc2cc(F)cnc2N)c1Br 2027597715 DXOLGFZPZIDPRN-UHFFFAOYSA-N 311.154 3.453 10 10 DGCE Cc1cc(N2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)ccc1CO 705943487 ZNEKSOBUWITXDS-WOJBJXKFSA-N 322.452 3.056 10 10 DGCE Oc1c(Cl)cccc1CNC1(C(F)(F)F)CCOCC1 2168288745 YDEXMGYLCIPBRQ-UHFFFAOYSA-N 309.715 3.247 10 10 DGCE C[C@H](O)c1ccc(N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)cc1 1909109758 UTKMLISZMYCNEH-NBHGPNQESA-N 322.452 3.451 10 10 DGCE CN[C@H](c1ccccc1O)c1nc(C)ccc1Br 2049929912 HZZOWEDYXXWCIU-CYBMUJFWSA-N 307.191 3.167 10 10 DGCE COC[C@@](C)(CN(C)Cc1cc(Cl)cc(Cl)c1O)OC 2198151962 UJHUJMFNTUWGGZ-CQSZACIVSA-N 322.232 3.182 10 10 DGCE CCNCc1ccc(N2CC=C[C@H]2CF)cc1Br 2082876056 LLAXTXYAXMMYTM-ZDUSSCGKSA-N 313.214 3.273 10 10 DGCE COC[C@]1(C)CCCN1Cc1cc(Br)ccc1O 2084139052 WDIJGTPXQONSGU-AWEZNQCLSA-N 314.223 3.156 10 10 DGCE O=C(C=Cc1cncc(F)c1)N1CCCc2cc(F)ccc21 2297490646 AWGJMUIYEXALAZ-UHFFFAOYSA-N 300.308 3.352 10 10 DGCE Oc1c(Br)cccc1CN[C@@H]1C[C@@H]2C[C@H]1[C@H]1C[C@@H]21 2309579138 STXFJXPGWGOLOX-CUOUOBHDSA-N 308.219 3.289 10 10 DGCE CC[C@H](Nc1ccn(C)n1)c1cc(Br)ccc1O 37560996 YUQLMHZRKSVMOC-NSHDSACASA-N 310.195 3.451 10 10 DGCE [N-]=[N+]=NCCCNC(=O)c1cc(Br)ccc1F 42013023 AGJOPZYNRUGBGB-UHFFFAOYSA-N 301.119 3.018 10 10 DGCE CCC1(CC)CN(c2cc(Cl)c(OC)cc2OC)CCN1 86129559 NWUJSZQYUIMVAN-UHFFFAOYSA-N 312.841 3.326 10 10 DGCE CC[C@@H]1CCCCN1c1cc2c(cc1Cl)[C@H](NC)C(=O)N2 92750229 UGJOYSYUFPNDAN-BMIGLBTASA-N 307.825 3.322 10 10 DGCE C[C@@H](NCc1cccnc1-n1ccnc1)c1ccc(N(C)C)cc1 151494124 FQZWOPXHBNZVQI-OAHLLOKOSA-N 321.428 3.184 10 10 DGCE COCCNCc1ccc(N2C[C@@H]3CCC[C@H]3C2)c(Cl)c1 158253802 NFMAFZHSCKEFFW-GJZGRUSLSA-N 308.853 3.312 10 10 DGCE CNCc1ccc(N2CC[C@H](N3CCCCC3)C2)c(Cl)c1 164065589 SPPJUVTXBGYVNJ-HNNXBMFYSA-N 307.869 3.124 10 10 DGCE CC[C@@H](CSC)N(C)c1ccc(CN)cc1Br 167179047 CANQYAWLFGGDFA-NSHDSACASA-N 317.296 3.486 10 10 DGCE CCN[C@@](CCSc1nccs1)(C(=O)O)c1ccccc1 168224749 ZBNKPTACBGMUOL-OAHLLOKOSA-N 322.455 3.215 10 10 DGCE CC(=O)c1cc(Cl)cc(CN(C)[C@@H]2CCN(C)[C@@H](C)C2)c1O 177291953 WJMJADUDRHCCAF-XHDPSFHLSA-N 324.852 3.163 10 10 DGCE CN1CCc2cc(CNc3ccc(-c4ncn(C)n4)cc3)ccc21 190877846 QOHMZILFEQHPPY-UHFFFAOYSA-N 319.412 3.087 10 10 DGCE CCc1onc(C)c1C(=O)NCc1ccc(N(CC)CC)cc1 193744789 WRHBHLRYVVVHOE-UHFFFAOYSA-N 315.417 3.322 10 10 DGCE CCOCCCNCc1ccc(N2CCCCC2)c(OC)c1 212696538 DYHLEORXWRIAJZ-UHFFFAOYSA-N 306.450 3.202 10 10 DGCE COc1cc(OC)c(N2C[C@H](C)NC[C@@H]2C(C)C)cc1Cl 225443795 SVIFKKFAKFJGCW-SMDDNHRTSA-N 312.841 3.180 10 10 DGCE CCN(CCN[C@H](C)c1ccc(O)cc1O)C(=O)OC(C)(C)C 227651731 FZEVNNYCIOQLQF-GFCCVEGCSA-N 324.421 3.005 10 10 DGCE CC[S@](=O)[C@@H]1CCC[C@@H](N[C@H](C)c2ccc(F)cc2O)C1 248493046 JRDJJEMLORZWLR-LDCAVPPVSA-N 313.438 3.262 10 10 DGCE CCNCc1ccc(N2CCN3CCCC[C@H]3C2)c(Cl)c1 250163487 GWRUZHAVTZFYMX-HNNXBMFYSA-N 307.869 3.124 10 10 DGCE Cc1nc(C)c(Br)c(NCc2ccccc2O)n1 322954047 LQZZJQKNEKECFA-UHFFFAOYSA-N 308.179 3.174 10 10 DGCE C[C@@H]1CSCCN(c2ccc(CN)c(C(F)(F)F)c2)C1 379509589 COVLWKZASNGNQW-JTQLQIEISA-N 304.381 3.353 10 10 DGCE O=C(O)c1cnc(Sc2ccc(Br)cn2)s1 380981503 IQAGPFDLSAUAEE-UHFFFAOYSA-N 317.189 3.150 10 10 DGCE C[C@@H](CNCc1ccc(O)c(O)c1)COCc1ccccc1 389948948 VTYPRRXBKVJIIY-AWEZNQCLSA-N 301.386 3.040 10 10 DGCE C[C@@H]1CN(c2ccc(OC(F)(F)F)c(Cl)c2)CC[C@@H]1N 401286175 OGKDQWJJJUILPZ-KCJUWKMLSA-N 308.731 3.412 10 10 DGCE C[C@@H](Nc1c(N)cccc1Br)[C@@H]1C[C@H]2CC[C@H]1O2 697509211 YSIVAVDJBCSOOX-ORXSELOVSA-N 311.223 3.399 10 10 DGCE Nc1ccc2c(c1)CN(Cc1c(O)cccc1Br)C2 706871529 CRNJKYCIJWVSQW-UHFFFAOYSA-N 319.202 3.253 10 10 DGCE CCN(CC)c1ccc(CNCc2cnc(C)nc2)cc1F 731360589 JONFAZFGXULOHS-UHFFFAOYSA-N 302.397 3.060 10 10 DGCE COc1cc(C)cc(CN(C)[C@H]2C[C@@](C)(OC)C2(C)C)c1O 754736872 ONVIWAIOOLOVSE-MAUKXSAKSA-N 307.434 3.345 10 10 DGCE COc1ccc(CN[C@H](C)c2cn(-c3ccccc3)nn2)cc1C 760469954 JJDWBBBBGUCKRB-OAHLLOKOSA-N 322.412 3.435 10 10 DGCE CCSc1cccc(C(=O)NCc2ccc(OC)cc2O)c1 794387132 DRGFQVUSEQMAGJ-UHFFFAOYSA-N 317.410 3.443 10 10 DGCE CC[C@H](NCc1cccnc1N(C)C)c1ccc(F)cc1O 796691813 DWEALQMLINPYFS-HNNXBMFYSA-N 303.381 3.233 10 10 DGCE CCCc1occc1C(=O)N[C@@H](C)c1cc(OC)ccc1O 798980033 BILWFHQCAVUEOD-NSHDSACASA-N 303.358 3.437 10 10 DGCE C[C@@H](NC[C@@H](CO)c1cccnc1)c1ccc2ccccc2c1O 806179458 ROAMVXLVCJPJGW-PBHICJAKSA-N 322.408 3.367 10 10 DGCE CN(C)CC1CCC(NCc2cc(Cl)c(F)cc2O)CC1 816558075 MCYHTJNAERBRMX-UHFFFAOYSA-N 314.832 3.395 10 10 DGCE CN(C)c1ccc(/C=C/CNC[C@@H](O)c2ccc(F)cc2)cc1 835033477 UIZASSGXUUQCSG-GNAXCBTBSA-N 314.404 3.228 10 10 DGCE CN(C)c1ccc(/C=C/CN(C)C2C[C@@H]3CC[C@H](C2)N3C)cc1 835053150 KUDHNRZZTGNBMC-NOKHBTLWSA-N 313.489 3.323 10 10 DGCE COCCOc1ncccc1NCc1ccc(N(C)C)cc1C 840881340 IACZRDKJSRRFHZ-UHFFFAOYSA-N 315.417 3.093 10 10 DGCE C[C@@H](N)c1ccc(CNCc2c(O)ccc(Cl)c2F)cc1 841028606 FKQHMDPNWPMDEE-SNVBAGLBSA-N 308.784 3.494 10 10 DGCE Cn1c(CNCc2cc(Cl)cc(Cl)c2O)cnc1Cl 848911980 LQNKXULMGSDGLM-UHFFFAOYSA-N 320.607 3.376 10 10 DGCE CN(C)c1ccc(CN[C@@H]2[C@H]3Cc4cc(F)ccc4[C@H]32)cc1F 850409301 QDRLVIQQKQHTOR-KFKAGJAMSA-N 314.379 3.459 10 10 DGCE Cc1ccc(O)c(CNCC2(C(=O)OC(C)(C)C)CCC2)c1 850414278 YFKKCKFXSIGWHX-UHFFFAOYSA-N 305.418 3.302 10 10 DGCE C[C@H](NC(=O)NCC[C@@H]1CC1(F)F)c1ccc(N(C)C)cc1 856847973 AANVTZLNCYWQAO-WCQYABFASA-N 311.376 3.158 10 10 DGCE CCOC(=O)C1=CC[C@@H](NCc2cc(Cl)cc(C)c2O)C1 862488690 OEQOWDBRBAFVGP-CQSZACIVSA-N 309.793 3.096 10 10 DGCE COc1ccc2c(c1)CC[C@@H]2c1nc(Cc2ccc(N)cc2)no1 872170162 DYZMGLMVACBFGR-KRWDZBQOSA-N 321.380 3.329 10 10 DGCE Oc1c(F)cc(F)cc1CN1CCO[C@@H](c2ccsc2)C1 894073382 XHCYBOMDCSEAHK-CQSZACIVSA-N 311.353 3.305 10 10 DGCE C[C@@H](N[C@@H](CO)CCc1ccccc1)c1ccc(F)cc1O 903292691 KODBRKXWDVFGEG-CZUORRHYSA-N 303.377 3.176 10 10 DGCE O=C(NCc1c(O)cccc1F)N[C@@H]1CCSC2(CCC2)C1 927285616 KJELPCHYYOPFGR-LLVKDONJSA-N 324.421 3.149 10 10 DGCE CN(Cc1ccccc1O)C(=O)c1cc(Br)co1 1149871295 FGLZGXJJFWHTMC-UHFFFAOYSA-N 310.147 3.020 10 10 DGCE C[C@@H](NC(=O)c1ncc(C(F)(F)F)s1)c1ccccc1O 1302532712 POISDLIGPNSJNL-SSDOTTSWSA-N 316.304 3.359 10 10 DGCE C[C@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)n1cccc1 1540486866 DIFVEEAJOXWTJO-MRXNPFEDSA-N 311.429 3.308 10 10 DGCE Cc1ccc([C@@H]2C[C@H]2NC(=O)NCc2c(O)cccc2F)cc1 1564969432 VGUMIQDINVCQCZ-XJKSGUPXSA-N 314.360 3.195 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)NCCc2cnoc2)cc1 1584752539 GPKZITARIGSYGB-UHFFFAOYSA-N 309.369 3.055 10 10 DGCE COc1ccccc1C(F)(F)C(=O)N[C@@H](C)c1ccccc1O 1587451172 KPGFOCANFYZQLY-NSHDSACASA-N 321.323 3.370 10 10 DGCE CC[C@H](C(=O)NCc1c(O)cccc1F)c1ccc(F)cc1 1596912710 QVOLGQYBUMRJFB-ZDUSSCGKSA-N 305.324 3.480 10 10 DGCE Cc1cc(CN2Cc3c[nH]nc3CC(C)(C)C2)ccc1N(C)C 1620461630 ZHSBRRMQGFWVRR-UHFFFAOYSA-N 312.461 3.369 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)/C=C/c1ccc[nH]1 1623549733 JTCWQDTUFXXNAQ-DHZHZOJOSA-N 309.413 3.287 10 10 DGCE CO[C@@H](C)CN(C(=O)c1cc2cc(O)c(O)cc2s1)C(C)C 1629483022 FZSUKMKWWBYEKO-JTQLQIEISA-N 323.414 3.198 10 10 DGCE COc1ccc(CN[C@H](CO)c2cc(F)ccc2F)cc1C 1648617863 XVUNGGPOYNQUDJ-MRXNPFEDSA-N 307.340 3.105 10 10 DGCE COC(=O)/C=C\c1ccc(N2CC(C)(C)C[C@H]2C)c([N+](=O)[O-])c1 1651150985 DPCMPZNMLLEZBO-XYLWRLHESA-N 318.373 3.406 10 10 DGCE CCN(C)c1ccc(CN2CCN(c3ccncc3)C[C@@H]2C)cc1 1654837236 AXQZAZZUWANPMP-KRWDZBQOSA-N 324.472 3.248 10 10 DGCE CC[C@H](CNC(=O)CC1(C)CC1)NCc1ccc(OC)c(C)c1 1698607171 HGPYKNSQHATONS-MRXNPFEDSA-N 318.461 3.178 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2CN(CCCCN=[N+]=[N-])C[C@]2(C)C1 1895301402 BBULLNGPQNYSDY-XJKSGUPXSA-N 323.441 3.266 10 10 DGCE CN(CCCN=[N+]=[N-])C(=O)c1cccc(F)c1Br 1912202663 KTCQFYAEDGAYQC-UHFFFAOYSA-N 315.146 3.361 10 10 DGCE CC[C@H]1CCN(Cc2cc(Br)ccc2O)CCO1 1913664967 ABIVEDPMDBJZFE-ZDUSSCGKSA-N 314.223 3.156 10 10 DGCE CC(C)CNCc1ccc(N2CC(F)C2)cc1Br 1917018101 WBVDGPMABYLXTA-UHFFFAOYSA-N 315.230 3.353 10 10 DGCE C[C@H](CCC[C@H](N)c1ccccc1O)NC(=O)OC(C)(C)C 1928481097 RBMVFVQJKFRKCZ-OCCSQVGLSA-N 308.422 3.476 10 10 DGCE C[C@@H](N(C)c1ccc(CN)cc1Br)C(F)(F)F 1946325256 MRRHTXBSTVLDTN-SSDOTTSWSA-N 311.145 3.295 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1CN(CCCN=[N+]=[N-])CC1(C)C 1962301466 VYAQCMRYYPEKIX-GFCCVEGCSA-N 311.430 3.170 10 10 DGCE CCN(CC)c1ccc([C@@H](N)CN(C)C(=O)OC(C)(C)C)cc1 1977941506 NFNYFMHYGYKMCW-INIZCTEOSA-N 321.465 3.400 10 10 DGCE Cc1ccc(O)c(CN[C@@H]2CC[C@@H]2CNC(=O)OC(C)(C)C)c1 1986708269 AYHVIFRLBKRMAK-UKRRQHHQSA-N 320.433 3.094 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]([C@@](C)(N)c2ccccc2O)C1 1993731537 UPUITSHYCRXQEH-SNUQEOBHSA-N 320.433 3.260 10 10 DGCE C[C@@H]1CCOCC[C@H]1NCc1cccc(Br)c1O 2046729802 GBUPJVLNSAZWFD-ZWNOBZJWSA-N 314.223 3.059 10 10 DGCE C[C@H](O)c1ccc(N2C[C@@H]3C[C@@H]3[C@H]3C[C@@H]32)cc1Br 2053728612 AIXKTMRTEGKNPP-MSPKKARQSA-N 308.219 3.347 10 10 DGCE C[C@H](O)c1ccc(N2C[C@@H](F)C[C@@H](F)C2)c(Br)c1 2062389027 SYBHGMCEHGPDDA-INTQDDNPSA-N 320.177 3.389 10 10 DGCE Oc1cccc(F)c1Cn1ncc(Br)c1C(F)F 2079081241 DVKMNGJLQYITJX-UHFFFAOYSA-N 321.096 3.476 10 10 DGCE CNCc1ccc(N2C[C@H]3[C@H](C)C[C@H]3C2)c(Br)c1 2085506788 HGKPYMGIJBPTPG-WXHSDQCUSA-N 309.251 3.261 10 10 DGCE CO[C@@H]1CC(F)(F)CC[C@@H]1NCc1c(O)cccc1Cl 2162093942 PHONYDHUSJPODQ-WCQYABFASA-N 305.752 3.338 10 10 DGCE CSc1ncc(CN[C@H]2CC[C@H](P(C)(C)=O)C2)s1 2208836847 QOUWVNJBLGCBQW-UWVGGRQHSA-N 304.421 3.498 10 10 DGCE CN(Cc1ccccc1O)c1cc(N)cc(Br)c1 2218877461 OGHAEDUUYBVFJW-UHFFFAOYSA-N 307.191 3.373 10 10 DGCE COc1ccc(Br)c(CN[C@@H](C)C2(C)CC2)c1O 2220462363 KILWLGYWZDVJNT-VIFPVBQESA-N 314.223 3.442 10 10 DGCE CC[C@H]1CC[C@H]1NCc1c(Br)ccc(OC)c1O 2220462767 QOTWUZVFHDCUCV-JOYOIKCWSA-N 314.223 3.442 10 10 DGCE CCCN(C[C@H](C)O)c1ccc([C@@H](C)N)cc1Br 2259746541 WYBDFSFQSFSJHR-WDEREUQCSA-N 315.255 3.066 10 10 DGCE O=C(C=Cc1cccnc1)N(Cc1ccco1)c1ccccn1 2297325319 RGSYVZILQKUZEB-UHFFFAOYSA-N 305.337 3.316 10 10 DGCE COc1ccc(N(C)C(=O)C=Cc2cnc(C)s2)c(OC)c1 2303427609 YFEXAOBVSDUJFX-UHFFFAOYSA-N 318.398 3.145 10 10 DGCE CN[C@H](C)c1ccc(N2C[C@H]3C=C[C@@H]2C3)cc1Br 2308764848 UKNDSVQGWPPYOK-GRYCIOLGSA-N 307.235 3.494 10 10 DGCE CSc1ncc(CN[C@](C)(C(=O)O)[C@H](C)C(C)C)s1 2349507460 GWCBRYGMJIMMEI-RNCFNFMXSA-N 302.465 3.090 10 10 DGCE C[C@H](O)CN(c1cc(Cl)c(CN)cc1F)C1CCCC1 2368844948 KTQJHCYEXYGTOD-JTQLQIEISA-N 300.805 3.068 10 10 DGCE COc1cc(-n2c(C)cc(C(=O)O)c2C)c(OC)cc1Cl 21507308 MWGYMGLNOMGFJD-UHFFFAOYSA-N 309.749 3.463 10 10 DGCE CNC[C@@H]1CCN(c2ccc(OCCc3ccccc3)cc2)C1 66056181 MNPDAEICBJZGRS-SFHVURJKSA-N 310.441 3.354 10 10 DGCE C[C@@H](Nc1cc(C(N)=O)ccc1Cl)c1ccc(F)cc1O 62746183 LKHRXJITWZTUAJ-MRVPVSSYSA-N 308.740 3.457 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)Nc2cnccc2CO)cc1 305737276 YKAYVUGJTITYKQ-UHFFFAOYSA-N 321.380 3.234 10 10 DGCE Cc1ccc([C@@H](C)NCc2cc3c(cc2O)OCO3)cc1F 120790693 MMWBQPVGHXMSGU-LLVKDONJSA-N 303.333 3.419 10 10 DGCE CC(C)c1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1cc(F)ccc1O 185685038 XGOYGJCEVKYLHE-FZMZJTMJSA-N 318.396 3.432 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N(C)c2nncs2)cc1 184322335 UGIMONKXFFBLBN-UHFFFAOYSA-N 312.398 3.222 10 10 DGCE COc1ccc(N(C)C[C@@H](C(N)=S)c2ccccc2)cc1 80820359 UYVWNRFRQSUMRM-MRXNPFEDSA-N 300.427 3.201 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N2CCN3CCC[C@@H]3C2)cc1 195324451 YBFMQYFEHPZEKX-LJQANCHMSA-N 323.440 3.014 10 10 DGCE C[C@H](CN[C@H](C)c1ccc(F)c(F)c1O)CN1CCCCC1 191211237 UGBPLIYJPPLYBJ-CHWSQXEVSA-N 312.404 3.443 10 10 DGCE CCOc1cccc(CN2CCO[C@H](c3cccs3)C2)c1O 92593972 QVICLMKYXZIETJ-HNNXBMFYSA-N 319.426 3.426 10 10 DGCE CN(CCOCc1ccccc1)c1c(F)cc(CN)cc1F 383939417 LAJNXFVUSSPSLA-UHFFFAOYSA-N 306.356 3.077 10 10 DGCE CC(=O)N(C(=S)NCc1ccccc1C)c1ccc(N)cc1 243321167 LNJPQVIQZSSJNK-UHFFFAOYSA-N 313.426 3.005 10 10 DGCE CC(=O)N(C(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(N)cc1 244174847 VFQRBHXILOKGBE-PLNCSYRRSA-N 315.417 3.156 10 10 DGCE C[C@H](N)c1ccc(N(CCO)C(C)(C)C)c(Br)c1 689945042 DRQWYSXZWNLXSP-JTQLQIEISA-N 315.255 3.066 10 10 DGCE COc1cc(Cl)cc(CN[C@H](C)[C@@H](O)c2ccccc2)c1O 289998100 CTPCGJNNOVKRAO-BDJLRTHQSA-N 321.804 3.266 10 10 DGCE CCCCN(Cc1ccccc1O)Cc1nnc(C)n1C1CC1 801595895 VDWPNICTCNFCRK-UHFFFAOYSA-N 314.433 3.429 10 10 DGCE Oc1ccc2c(n1)CCC[C@H]2NCc1cc(Cl)c(F)cc1O 294454205 YPEFORKITLSCJW-CYBMUJFWSA-N 322.767 3.453 10 10 DGCE COc1c([N+](=O)[O-])ccc(CNc2cccc(C3CC3)n2)c1O 294076270 YSCVTZBQFRFJOA-UHFFFAOYSA-N 315.329 3.194 10 10 DGCE COCc1nc(CNCc2cc(Cl)cc(C)c2O)cs1 291689447 XXQNQYGHAKTIMN-UHFFFAOYSA-N 312.822 3.247 10 10 DGCE COC1(C(F)(F)F)CN(c2ccc([C@H](C)O)c(Cl)c2)C1 724175890 KSXSJAYZFADQDH-QMMMGPOBSA-N 309.715 3.161 10 10 DGCE Oc1cc2c(cc1CN1CC3(CCC3)[C@@H]1[C@@H]1CCCO1)CCC2 811791953 KOKILQUODSREPC-OALUTQOASA-N 313.441 3.414 10 10 DGCE CN(C)c1ccc(/C=C/CNC2(CCO)CCCCC2)cc1 835043404 QJDSPBCURSZCJG-VOTSOKGWSA-N 302.462 3.441 10 10 DGCE CC[C@](C)(CC(=O)OC)NC/C=C/c1ccc(N(C)C)cc1 835048398 RAZCAMXUZCQWFJ-LKGOPFMKSA-N 304.434 3.087 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@H](C2CC2)[C@@H]2CCCCO2)c1 848558903 PPBRQOITBNMPOL-UYHISHBKSA-N 305.418 3.399 10 10 DGCE c1cc(N2CCOCC2)ccc1CNC[C@@]12CCCC[C@@H]1C2 922425740 GJYPLUBHBFHKOZ-MJGOQNOKSA-N 300.446 3.193 10 10 DGCE CC[C@@H](COCC1CC1)N[C@H](C)c1cc(C(=O)OC)ccc1O 850494619 RDLCDGKDFTWRRA-DOMZBBRYSA-N 321.417 3.035 10 10 DGCE COc1ccc(N2CCCN(CC[C@@H]3CCCCO3)CC2)cc1 754016455 XERZTPWBFJLXGA-IBGZPJMESA-N 318.461 3.167 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@H](c2ccccc2)[C@@H](C)O)c1 850582287 DBLRGQDUXNTFLX-JCGVRSQUSA-N 301.386 3.174 10 10 DGCE COC(=O)c1ccc(O)c([C@@H](C)NCC[C@@]2(C)CC2(F)F)c1 850535766 BEXUXLAUHMKTKM-BMIGLBTASA-N 313.344 3.265 10 10 DGCE COC[C@@H]1CCCN1c1ccc([C@@H](C)O)c(Br)c1 696589491 KBJZXAHJCUCBBD-PWSUYJOCSA-N 314.223 3.118 10 10 DGCE Cc1cc(C)c([N+](=O)[O-])c(N[C@H](C)Cc2ccc(O)c(O)c2)n1 762800212 NOUOWMDMMJSUNN-LLVKDONJSA-N 317.345 3.061 10 10 DGCE O[C@H]1C[C@H]2C[C@H]1CN(c1ccc(OCc3ccccc3)cc1)C2 1899873996 HTPNOPZWKLWDFG-UWVAXJGDSA-N 309.409 3.473 10 10 DGCE O=C(NCc1cccc(Br)c1O)[C@@]12CCCC[C@@H]1C2 867830996 MTWMZDCCLAYZKH-IAQYHMDHSA-N 324.218 3.351 10 10 DGCE COc1cccc(O)c1CN1CCO[C@H](c2ccsc2)C1 769513385 CKXBMYKPTRJJGM-INIZCTEOSA-N 305.399 3.036 10 10 DGCE COc1ccc(O)c(CN2CCc3ccc(F)c(F)c3C2)c1 775742606 VNKNFVBZCOMFNO-UHFFFAOYSA-N 305.324 3.237 10 10 DGCE C[C@@H]1CCCC[C@@H]1NCc1ccc(N2CCCNCC2)cc1 84846301 VZXSHQLAJHMVDA-APWZRJJASA-N 301.478 3.155 10 10 DGCE Cn1nccc1[C@H]1CCCCN1Cc1cc2c(cc1O)CCC2 799151090 TVPONLHHTHVPOK-GOSISDBHSA-N 311.429 3.342 10 10 DGCE CC1(C)COc2ccc(C(=O)NCc3c(O)cccc3F)cc21 1156170281 JTFYYMRMEDSSCI-UHFFFAOYSA-N 315.344 3.131 10 10 DGCE Oc1cccc(Cl)c1CN1CCO[C@H](CC(F)(F)F)C1 698222300 SNQLVUSFBNFLNV-SECBINFHSA-N 309.715 3.199 10 10 DGCE CCc1ccc([C@@H](C)CC(=O)NCc2c(O)cccc2O)cc1 1156881347 ZOFIGCGPAZYJQC-ZDUSSCGKSA-N 313.397 3.470 10 10 DGCE COC(=O)[C@@](C)(NCCN=[N+]=[N-])c1cc(Cl)ccc1Cl 90256919 BCKWOJMHWWQEKC-LBPRGKRZSA-N 317.176 3.282 10 10 DGCE CO[C@H](CCNCc1ccc(N2CCCC2)cc1)C(F)(F)F 1320621385 QFDMKFCUOIVVKF-OAHLLOKOSA-N 316.367 3.344 10 10 DGCE Cc1scc(C(=O)N(C)CCN=[N+]=[N-])c1Br 1902846988 MXWQQSLZDKTWJH-UHFFFAOYSA-N 303.185 3.201 10 10 DGCE Cc1ccc(S(=O)(=O)N2CCCC[C@H](CN=[N+]=[N-])C2)s1 1912201564 WFPFOSSAIRTKBE-LLVKDONJSA-N 314.436 3.158 10 10 DGCE Cc1ccc(/C=C\C(=O)NCc2ccc(N3CCCC3)cc2)cn1 1464076314 GBIANVCIBIOSEH-FLIBITNWSA-N 321.424 3.320 10 10 DGCE C/C(=C\c1cccnc1)C(=O)N1CCOc2c(F)ccc(F)c21 1531417402 UQXMVNGWRFKCLQ-PKNBQFBNSA-N 316.307 3.189 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CC2CCC1CC2 1623574500 PSBKLJBXCQYGTM-RUXDESIVSA-N 308.418 3.320 10 10 DGCE CCC1(NCc2cccc(C)c2O)CN(C(=O)OC(C)(C)C)C1 1922214666 BNAGJIWFCGHBDK-UHFFFAOYSA-N 320.433 3.190 10 10 DGCE CN(Cc1ccccc1O)C(=O)Cc1ccc(F)c(Cl)c1 1622317509 NFNAKEFXPDRRQP-UHFFFAOYSA-N 307.752 3.386 10 10 DGCE O=C(/C=C\c1ccc(Cl)cc1)NCc1cccc(O)c1O 1633515533 FGHNIKBTLIEEFG-TWGQIWQCSA-N 303.745 3.081 10 10 DGCE O=C(NCc1ccc(O)cc1O)c1csc(C(F)(F)F)c1 1630307616 XJDQQRLKEAJZBZ-UHFFFAOYSA-N 317.288 3.108 10 10 DGCE CCOc1ccc(N(C)CCOc2ccc3c(c2)OCO3)cc1 1560122681 DRXQFDYINIRBDQ-UHFFFAOYSA-N 315.369 3.329 10 10 DGCE Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nn2cccn2)c1 1641416171 DEYYHHUMOKAAGF-UHFFFAOYSA-N 314.776 3.328 10 10 DGCE CC[C@H](C)Oc1ccc(C(=O)NCc2cc(O)ccc2O)cc1 1643882209 QMNLDWJEKNRPOY-LBPRGKRZSA-N 315.369 3.205 10 10 DGCE CC(C)(C)Oc1cccc(C(=O)NCc2c(O)cccc2F)n1 1645050163 FLIWUJLRTBIROS-UHFFFAOYSA-N 318.348 3.034 10 10 DGCE Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccccc1O 1587446928 CLRDWYDWERTQGF-GFCCVEGCSA-N 314.341 3.408 10 10 DGCE CC/C=C/CNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C 1686574018 LWSUUBSRYLAGGN-KIUWMYQTSA-N 303.450 3.257 10 10 DGCE C[C@H](C[C@H](O)c1ccc(N(C)C)cc1)NC(=O)OC(C)(C)C 1959572044 WCOVJVVTMWSOGM-DOMZBBRYSA-N 308.422 3.089 10 10 DGCE Nc1ccc(CC(=O)[C@@H]2CCOC3(CCSCC3)C2)cc1 166818501 IEXSSAXQLMRZDY-CQSZACIVSA-N 305.443 3.073 10 10 DGCE CC[C@@H](NCCCc1c(C)nn(C)c1C)c1ccccc1O 157032533 HVNKWUUOHSYYCF-QGZVFWFLSA-N 301.434 3.416 10 10 DGCE CNCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(C(F)(F)F)c1 157863921 AEGHFIKSUJBZMK-PHIMTYICSA-N 302.340 3.038 10 10 DGCE CN[C@@H](c1ccccc1O)[C@@H]1CCCCN1C(=O)OC(C)(C)C 1936985111 ZYVBYXASHVXHEH-HOCLYGCPSA-N 320.433 3.442 10 10 DGCE CC(C)(C)OC(=O)N1CCC2(CC1)CN(CCCN=[N+]=[N-])C2 1962299704 NTVKMLWDTPECIM-UHFFFAOYSA-N 309.414 3.020 10 10 DGCE CCOC(CCCNCc1ccc(Cl)cc1O)OCC 1964019518 ODASNGFTCZTVEP-UHFFFAOYSA-N 301.814 3.315 10 10 DGCE Cc1ccc(Br)c(CN(C)c2ccc(CN)cc2)n1 1972630800 YKXDHYISPNTSMC-UHFFFAOYSA-N 320.234 3.248 10 10 DGCE O[C@H]1CCc2cc(N3CC[C@H](OCc4ccccc4)C3)ccc21 1986603064 QFWWRMUTTDUNNT-ICSRJNTNSA-N 309.409 3.462 10 10 DGCE CN(C)c1ccc([C@H](N)Cc2cnn(Cc3ccccc3)c2)cc1 1999511803 IWRRORGEKDGHDI-HXUWFJFHSA-N 320.440 3.240 10 10 DGCE C[C@H](O)c1ccc(N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)cc1 2015069540 UTKMLISZMYCNEH-SCWSEQNSSA-N 322.452 3.451 10 10 DGCE CN(Cc1cc(Br)ccc1O)[C@H]1CCCOCC1 2028795816 BCNVAVXDSSPVBS-ZDUSSCGKSA-N 314.223 3.156 10 10 DGCE CP(C)(=O)C1CCN(c2c(F)cc(CN)cc2F)CC1 2159334569 CVPXUEGSCMWUHF-UHFFFAOYSA-N 302.305 3.015 10 10 DGCE CC(C)N[C@]1(C(=O)O)C[C@H](C)C[C@H](Sc2nccs2)C1 2175482202 CQXYNNPFGHPNIS-UHIISALHSA-N 314.476 3.245 10 10 DGCE CCN[C@H](C)c1ccc(N2CCO[C@H](CF)C2)c(Cl)c1 2172041741 PLKSYBNVTCALGB-DGCLKSJQSA-N 300.805 3.185 10 10 DGCE O=C(O)c1cc(-c2ccccc2)nn1Cc1c(O)cccc1F 2069896275 XAPDQFYEBAGVQC-UHFFFAOYSA-N 312.300 3.141 10 10 DGCE CO[C@H](C)CCN(C)Cc1cc(Br)cc(F)c1O 2059359642 OPKCTVZDHHILHO-SECBINFHSA-N 320.202 3.151 10 10 DGCE CO[C@H]1CC[C@@H](N(C)Cc2cc(Br)ccc2O)C1 2067111063 BMEMCLOYNFRJMB-OLZOCXBDSA-N 314.223 3.154 10 10 DGCE CCC[C@@H](CNCc1ccc(C)cc1O)NC(=O)OC(C)(C)C 2210463526 BPALTPUBZPYPSD-HNNXBMFYSA-N 322.449 3.484 10 10 DGCE CNCc1ccc(N(C)Cc2coc(C)n2)cc1Br 2113580563 CUFXEABLHBHBDZ-UHFFFAOYSA-N 324.222 3.101 10 10 DGCE CN(Cc1ccccc1O)C(=O)C=Cc1c(F)cccc1F 2299692449 RNOQTVGFGVGVRB-UHFFFAOYSA-N 303.308 3.342 10 10 DGCE CC(=O)c1cccc(N=Nc2c(C(=O)O)nc3c(O)cccn23)c1 2320774373 RTADAKOSCZYPFZ-UHFFFAOYSA-N 324.296 3.356 10 10 DGCE Cc1ccnnc1N(C)Cc1ccc(C)c(Br)c1O 2352950639 WGDKUDXSIKUXKM-UHFFFAOYSA-N 322.206 3.198 10 10 DGCE CCCNC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 53010785 WEMVCOMCHLDVAN-LBPRGKRZSA-N 302.340 3.411 10 10 DGCE Cc1ccc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c(O)c1O 179409562 HOGYCNUBOLDBSV-VHSXEESVSA-N 317.307 3.257 10 10 DGCE COc1ccc2c(c1)NC1(CCCC1)CN2C[C@H]1CCCNC1 75280916 VWSQDHQXHXUCQA-HNNXBMFYSA-N 315.461 3.240 10 10 DGCE Oc1cccc2c1[C@@H](NC1CCN(c3ccccn3)CC1)CC2 323975914 ILXFEQPWZHGDFE-INIZCTEOSA-N 309.413 3.033 10 10 DGCE COC[C@@H](C)CNC(=O)c1cc(C)n(-c2ccccc2)c1C 149154705 QFMYOHSDYYRBHO-ZDUSSCGKSA-N 300.402 3.106 10 10 DGCE Oc1c(Cl)cccc1CN1CC[C@H]2[C@@H](CCCN2C2CC2)C1 245644061 FFESWHLGOBAHRX-GUYCJALGSA-N 320.864 3.494 10 10 DGCE O=C(NCc1ccccc1O)c1ccc(N2CCCCC2)cc1 266914572 FPMZWQXHAFKMMX-UHFFFAOYSA-N 310.397 3.313 10 10 DGCE Cc1cnc([C@H](C)NCc2ccc(N3CCOCC3)cc2)s1 378925678 SQAYGKWFOFZTMR-AWEZNQCLSA-N 317.458 3.139 10 10 DGCE CN(C)c1ccc(CNC(=O)c2ccoc2C2CC2)cc1F 282009365 XTJCDWSDNFOOKR-UHFFFAOYSA-N 302.349 3.292 10 10 DGCE NC[C@@H]1C[C@@H]2CCC[C@@H]2N1Cc1cc(Cl)cc(Cl)c1O 2164806305 KZLMOJVSLPVFAC-WFBYXXMGSA-N 315.244 3.401 10 10 DGCE CCC[C@H](c1cccc(OC(F)(F)F)c1O)N1CCNCC1 575284636 GZFBLGVWPAHUMK-GFCCVEGCSA-N 318.339 3.037 10 10 DGCE CC[C@H](C)CN(C)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] 732049460 XYOXAAXIOSUAMW-UPZNUWHASA-N 306.362 3.263 10 10 DGCE Oc1cc2c(cc1CN1CCCN(C3CCCC3)CC1)CCC2 738271501 WMMLFSIJHPSZFQ-UHFFFAOYSA-N 314.473 3.331 10 10 DGCE COc1ccc(N2CC[C@H](CN[C@H]3CC[C@H](C)SC3)C2)cc1 848553345 LYAMLADAAYXWQV-XHSDSOJGSA-N 320.502 3.395 10 10 DGCE Oc1nc2cccc(CNCCCSc3nccs3)c2o1 921754142 JONMONFJBLKMRP-UHFFFAOYSA-N 321.427 3.262 10 10 DGCE COc1ccc(N(C)Cc2cc(Cl)n(C)n2)cc1Cl 859164445 ZJBYTPYCNHGOIA-UHFFFAOYSA-N 300.189 3.372 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CCC23COC3)c1 854837535 KIRNILPZSRVTHS-UHFFFAOYSA-N 310.397 3.017 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)c3cccc(C)c3)C2)cc1 855234666 IMKAKYACGZEUHP-INIZCTEOSA-N 310.397 3.012 10 10 DGCE Oc1ccccc1CN(CCOC1CCOCC1)C1CCCC1 859140704 YVBPCXDCCPTIPH-UHFFFAOYSA-N 319.445 3.332 10 10 DGCE Nc1ccc(CCNC(=O)N2CCC[C@H](C3CCC3)C2)cc1 851664598 GNWGKJIBXDAFCF-INIZCTEOSA-N 301.434 3.033 10 10 DGCE CO[C@H](CCCc1ccc(N)cc1)CNC(=O)OC(C)(C)C 1952464823 DQXGRXFUSGYRGW-OAHLLOKOSA-N 308.422 3.131 10 10 DGCE c1cc(N2CCOCC2)ccc1CN1CC[C@H]2CC[C@@H](C2)C1 933932146 BJIWKGCUUCTIOD-AEFFLSMTSA-N 300.446 3.145 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C)cnc1F 865027132 HYDNWWHQKIRDMY-UHFFFAOYSA-N 315.392 3.257 10 10 DGCE Oc1c(F)cc(Cl)cc1CN1CCO[C@H](C(F)F)CC1 872256892 DZIIFXTUGBJDGE-NSHDSACASA-N 309.715 3.041 10 10 DGCE C[C@@H]1O[C@H](C)CN(Cc2cc(C(C)(C)C)cc(O)c2O)[C@@H]1C 783539844 DCEOFHVRXLQKBS-UPJWGTAASA-N 307.434 3.393 10 10 DGCE c1cc2c(cc1CN[C@@H]1CCCC[C@H]1[C@H]1CCOC1)CCO2 788983655 CVRDYFDQLDRTOX-OKZBNKHCSA-N 301.430 3.306 10 10 DGCE COc1ccc(N2CC[C@@H](CNCCC(C)C)C2)c(OC)c1 76375964 PJGOXPYIAZANSS-HNNXBMFYSA-N 306.450 3.166 10 10 DGCE CN[C@@H](C)c1ccc(N2CC[C@H](F)C2)cc1Br 689849429 LRNKUCQMJVSZFK-UWVGGRQHSA-N 301.203 3.278 10 10 DGCE C[C@H]1CCN(Cc2cc(Br)ccc2O)C[C@H](C)O1 694863511 ANAYFNCDGUZQFW-QWRGUYRKSA-N 314.223 3.154 10 10 DGCE Cc1cccc(O)c1C(=O)NCc1c(O)ccc2c1CCCC2 1150376997 FRRVAZFSXCQCSK-UHFFFAOYSA-N 311.381 3.215 10 10 DGCE CCc1nc2ccccc2n1CCC(=O)NCc1ccccc1O 1150535568 DRLHVGCKHGXZCE-UHFFFAOYSA-N 323.396 3.011 10 10 DGCE O=C(Cc1cccc2ncccc12)N1Cc2cccc(O)c2C1 1152572314 ANPBTZWVASWFPQ-UHFFFAOYSA-N 304.349 3.025 10 10 DGCE CC[C@@H](C)Oc1cc(N(C)Cc2ccccc2O)nc(C)n1 1162838425 OLXUWHUKRFHZCY-GFCCVEGCSA-N 301.390 3.304 10 10 DGCE Oc1c(Br)cc(Cl)cc1CN[C@H]1C[C@H](F)C1 1905080107 FWLHXIIVUUTQGI-KYZUINATSA-N 308.578 3.398 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2C(=O)C(F)=C1CCCC1 1435285245 CQGFQTKMKLEYBD-UHFFFAOYSA-N 304.365 3.276 10 10 DGCE COc1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)cc1C 1358004777 ZYMAUPMIJAJZFC-UHFFFAOYSA-N 316.376 3.139 10 10 DGCE CC[C@@H]1c2ccsc2CCN1C(=O)Cc1ccc(O)c(O)c1 1290847740 HJOMBAIGPCARDG-CYBMUJFWSA-N 317.410 3.238 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)/C(C)=C\c2cccnc2)c1 1465992804 MUDFQXKTTYHIHS-SUIFULHWSA-N 312.369 3.077 10 10 DGCE CCOc1cc(N[C@@H](C)Cc2ccc(N(C)C)cc2C)ncn1 1612500512 JOTXYWKOTWUVMH-AWEZNQCLSA-N 314.433 3.293 10 10 DGCE COCc1ccc(C(=O)NCc2cccc(Cl)c2O)cc1F 1472317047 SSYVPYSDKVLIMN-UHFFFAOYSA-N 323.751 3.261 10 10 DGCE Cc1c(C(=O)N[C@@H](C)c2ccccc2O)c(O)nc2ccccc12 1557968014 OUHOGDNSQTXEKN-LBPRGKRZSA-N 322.364 3.445 10 10 DGCE CC(C)Cn1nccc1C(=O)NCc1c(O)ccc2ccccc12 1558553815 BIDNCPNEWQRUAJ-UHFFFAOYSA-N 323.396 3.328 10 10 DGCE O=C(NCc1ccc(O)cc1O)c1cc2cccc(Cl)c2o1 1630302013 PHGSCUVBJDSLOA-UHFFFAOYSA-N 317.728 3.427 10 10 DGCE CCCCC[C@@H](O)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C 1638243611 JEJONXBOAZEMRK-MAUKXSAKSA-N 320.477 3.049 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2CC1C[C@H]2[C@H](C1)C2(F)F 1654011167 JLKIWLKQMWOJGI-KBPBESRZSA-N 308.372 3.243 10 10 DGCE CC(=O)c1cc(F)cc(CN2CCCC[C@]23CCCOC3)c1O 1655142315 WEMSTGVSWCKUQA-GOSISDBHSA-N 321.392 3.269 10 10 DGCE c1cc(N2CCC(NCc3ccc4c(c3)CCCO4)CC2)ccn1 1658757151 YFUXWFWWHSYSJF-UHFFFAOYSA-N 323.440 3.165 10 10 DGCE COc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])o3)C(=O)O2)cc1 6372949 QBSFQTSBKWMIKN-DHZHZOJOSA-N 313.265 3.178 10 10 DGCE CC(C)c1ccc2[nH]c(C(=O)Nc3ccc(N)cc3)cc(=O)c2c1 1866501094 AFHUOJOETYTMMF-UHFFFAOYSA-N 321.380 3.486 10 10 DGCE CN[C@@H](CCC1CN(C(=O)OC(C)(C)C)C1)c1ccccc1O 1936984172 MFSUARDYMOKPQA-HNNXBMFYSA-N 320.433 3.300 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(N)cc2)[C@@H]2C[C@@H]21 1894012459 YXHWSYPFSPDQOB-KKUMJFAQSA-N 303.406 3.079 10 10 DGCE CC1(C)[C@@H](NCc2cc(Cl)cc(Cl)c2O)CC[C@H]1O 2142138218 XSASGPVULOZGME-NWDGAFQWSA-N 304.217 3.338 10 10 DGCE COC[C@H]1CCN1Cc1cc(Cl)cc(Br)c1O 894857691 PNPYVXVNAPZACL-SNVBAGLBSA-N 320.614 3.029 10 10 DGCE CC[C@H]1CN(CCCN=[N+]=[N-])CC[C@@H]1NC(=O)OC(C)(C)C 1962303028 DVRIOHYZPWEGAB-STQMWFEESA-N 311.430 3.312 10 10 DGCE CC=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)c1ccccc1O 1974819672 ADBJLQSKUUJKNK-HIFRSBDPSA-N 306.406 3.252 10 10 DGCE C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[C@H](O)c1ccc(N(C)C)cc1 1977960773 WJOVUNDGYGKXOA-XEZPLFJOSA-N 322.449 3.335 10 10 DGCE Oc1c(Cl)cccc1CNCC1(Br)CCC1 1980138566 XZWUIWPLAVHPAL-UHFFFAOYSA-N 304.615 3.453 10 10 DGCE C[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN1CCCCN=[N+]=[N-] 1982246798 ZIZKXSWVKWTTMY-MCIONIFRSA-N 323.441 3.264 10 10 DGCE C[C@H](N)c1ccc(N2C[C@H]3C[C@H]2CN(Cc2ccccc2)C3)cc1 1997909901 KFUGISSRQRYTFW-MDKPJZGXSA-N 321.468 3.417 10 10 DGCE CCCNCc1ccc(N2CC(C)(F)C2)c(Br)c1 2032475334 GBSYLLKSJMLQLG-UHFFFAOYSA-N 315.230 3.497 10 10 DGCE NCc1ccc(N2C[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2)cc1Br 311839850 HIOGGNPVNQIHQI-GVARAGBVSA-N 321.262 3.390 10 10 DGCE CNCc1ccc(N2C[C@@H]3[C@@H](C2)C3(C)C)cc1Br 379547655 HIXOVPRLVXIBJW-CHWSQXEVSA-N 309.251 3.261 10 10 DGCE CCOC[C@H]1CCCN1Cc1cccc(Br)c1O 696575113 QSIPBWHKFKWVOF-GFCCVEGCSA-N 314.223 3.156 10 10 DGCE COC(=O)C1(CNCc2cnc(SC)s2)CCCCC1 2208623944 JUDMARXEJNTBJE-UHFFFAOYSA-N 314.476 3.078 10 10 DGCE CSc1ncc(CNC[C@H]2CNC[C@H](C(C)(C)C)C2)s1 2284720881 JOXYHTOVRHXCTA-VXGBXAGGSA-N 313.536 3.226 10 10 DGCE C[C@H](NC/C=C\CNC(=O)OC(C)(C)C)c1cc(F)ccc1O 309692277 KOHADDNWWVHWIS-FJOGCWAESA-N 324.396 3.263 10 10 DGCE CCN1CCN(C(=O)C=Cc2cnc(C)s2)c2ccccc21 2297542973 MHOJCLFKONBZBR-UHFFFAOYSA-N 313.426 3.338 10 10 DGCE CCCN1N=C(c2ccc(OC)cc2)C(=Cc2cccn2C)C1=O 2332128803 FEFURQVBHUNQDF-UHFFFAOYSA-N 323.396 3.074 10 10 DGCE CCCCOC(=O)NCc1ccc(C)c(Br)c1O 2327629728 FOGGLYOPERLFPD-UHFFFAOYSA-N 316.195 3.489 10 10 DGCE CCCC1=NN2C(=N)/C(=C\c3cccs3)C(=O)N=C2S1 3862140 XKRWLTZAWSTQFM-AUSFJKFISA-N 304.400 3.167 10 10 DGCE CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(\C)Nc1cccnc1 101842039 FMAAVQBJSRLBPC-LFIBNONCSA-N 310.332 3.329 10 10 DGCE C[C@H](Nc1cc(C(N)=O)ccc1Cl)c1ccc(F)cc1O 62746182 LKHRXJITWZTUAJ-QMMMGPOBSA-N 308.740 3.457 10 10 DGCE Cc1nn(C)c(C)c1C[C@H](C)N[C@H](C)c1ccc(F)cc1O 185559196 JOTMTHLCKODSCR-WDEREUQCSA-N 305.397 3.163 10 10 DGCE COc1ccc2c(c1)NC1(CCCCC1)CN2CCC(N)=S 75280934 XWSFHQHQNDNGNU-UHFFFAOYSA-N 319.474 3.306 10 10 DGCE CCSc1ccccc1NS(=O)(=O)Cc1ccc(N)cc1 40349285 IHTBDZODCAFWAU-UHFFFAOYSA-N 322.455 3.323 10 10 DGCE Nc1ccc(O)c(CN2CCC(OCc3ccccc3)CC2)c1 383941943 NJNRTEKRSNWKIG-UHFFFAOYSA-N 312.413 3.156 10 10 DGCE CN(C)c1ccc([C@H](Cc2c(F)cccc2Cl)NN)cc1 97700353 PNRWEXLFNBBYAG-INIZCTEOSA-N 307.800 3.292 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)N[C@H](C)[C@@H](C)OC 291567741 XPPLGJKOKUUEOZ-ZIAGYGMSSA-N 308.422 3.127 10 10 DGCE CC[C@H](NCc1ccc(N(CC)CC)c(F)c1)[C@@H](O)C(F)F 824635026 DWYNPTPOGVZDRT-DZGCQCFKSA-N 318.383 3.166 10 10 DGCE CC[C@H](C)[C@@H](N)c1cc([N+](=O)[O-])cc(Br)c1O 725437192 ARCAAOUKPPKDLK-QUBYGPBYSA-N 303.156 3.109 10 10 DGCE Cc1nn(C)c(Cl)c1/C=C\C(=O)N1CCc2c(F)cccc21 588463351 GFARUJHTYOTWQH-SREVYHEPSA-N 319.767 3.124 10 10 DGCE COc1ccccc1N(C)C(=O)/C=C\c1cnc2ccccc2n1 917777109 SOVNWEACTKBACF-QXMHVHEDSA-N 319.364 3.315 10 10 DGCE Cc1cc(O)c(CN2CC[C@@H]3[C@H](CCCN3C)C2)c(Cl)c1 840920405 GPUNFPSDPNUNJO-CZUORRHYSA-N 308.853 3.270 10 10 DGCE Oc1cc2c(cc1CN1CCC(OC3CCC3)CC1)CCC2 841688182 ZUIJMWQIQSNXLA-UHFFFAOYSA-N 301.430 3.414 10 10 DGCE CC(C)[C@H](NC(=O)NCCCSc1nccs1)C1CC1 853857585 GQVHNHIUHZAFRX-LBPRGKRZSA-N 313.492 3.359 10 10 DGCE C[C@H](NCCC1SCCS1)c1cc([N+](=O)[O-])ccc1O 850571334 UIONMRGISKJCBP-VIFPVBQESA-N 314.432 3.147 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)c2nc(Cl)cs2)c1 789995374 HTWDNWJUNKZLFR-SSDOTTSWSA-N 312.778 3.002 10 10 DGCE CCC/C(C)=C\C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 1134882832 VICJRMKBWVZKRP-OJSRQPNCSA-N 317.477 3.218 10 10 DGCE Oc1c(F)cc(Br)cc1CN1CC[C@@H]1C(F)F 895431666 OYXFAJKUFFBCKQ-SECBINFHSA-N 310.113 3.133 10 10 DGCE COc1cc(Cl)cc(CNC[C@@H]2CC3(CCC3)CO2)c1O 895790756 KVIQLBJOQDOSJF-ZDUSSCGKSA-N 311.809 3.103 10 10 DGCE Cc1ccccc1C(C)(C)CNC(=O)Cc1ccc(O)c(O)c1 1136545081 PBRDTLIAAGZEPV-UHFFFAOYSA-N 313.397 3.043 10 10 DGCE CCCCCC[C@H](O)CCC(=O)N(C)Cc1ccccc1O 1137345613 PKOHIJLVPFBCKZ-INIZCTEOSA-N 307.434 3.462 10 10 DGCE O=C(N[C@H](Cc1ccccc1)c1ncco1)c1cc(O)cs1 1163390594 HRDCFVVIXYVKRR-CYBMUJFWSA-N 314.366 3.156 10 10 DGCE Cc1ccccc1-n1c(C)cc(C(=O)NCC2=CCOCC2)c1C 1325233187 UKJHMJDZTRDVRO-UHFFFAOYSA-N 324.424 3.479 10 10 DGCE [N-]=[N+]=NCCCN[C@@H](C(=O)O)c1c(F)ccc(F)c1Cl 705556279 UCRWUIPAQGHVHL-SNVBAGLBSA-N 304.684 3.034 10 10 DGCE CCN(CCN(C)C)[C@@H](C)c1cc(Br)ccc1O 688951213 ZRKJHTZQCXSPCY-NSHDSACASA-N 315.255 3.099 10 10 DGCE CCOC(=O)[C@@H](NCCN=[N+]=[N-])c1ccc(Cl)cc1Cl 90257394 REUMNXHHJMWIOA-NSHDSACASA-N 317.176 3.498 10 10 DGCE COC(=O)[C@]1(NC(C)C)CCC[C@@H](Sc2nccs2)C1 93778663 XLXOISISKDTXGQ-RISCZKNCSA-N 314.476 3.088 10 10 DGCE CC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(O)cs2)c1 1543451271 HXZHHPBLIXUHHS-UHFFFAOYSA-N 310.762 3.318 10 10 DGCE CC[C@@H](C)CC(=O)N(C)[C@H](C)CNCc1ccc(OC)c(C)c1 1482275733 MKMUSMLKGHVTHV-GDBMZVCRSA-N 320.477 3.376 10 10 DGCE Cc1cccc(F)c1C(=O)NCc1ccc2cccnc2c1O 1638573188 MLPWCFMVSCZKFK-UHFFFAOYSA-N 310.328 3.318 10 10 DGCE C[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)c1ccc[nH]1 1632209872 CBZBXDGPBQIERI-MRVPVSSYSA-N 302.355 3.132 10 10 DGCE COc1ccc(CNC[C@@H](C)NC(=O)C(C)=C2CCC2)cc1C 1568991416 WUHRUTNEPVUAKI-CQSZACIVSA-N 316.445 3.098 10 10 DGCE Cn1ccc(C(=O)NCc2ccc(O)cc2O)c1-c1ccccc1 1639444575 QAVRDAQDJHAJRB-UHFFFAOYSA-N 322.364 3.033 10 10 DGCE CCC(C)(C)C(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O 1637135272 WLHZDZHZUHANJT-UHFFFAOYSA-N 318.200 3.321 10 10 DGCE COCc1nocc1CNCc1cc(Cl)cc(Cl)c1O 1966034438 RPCYEXFNOGXHOR-UHFFFAOYSA-N 317.172 3.123 10 10 DGCE CN1CCN(c2ccc(NN=NCc3ccccc3)cc2)CC1 1860492704 GILCQTPAOOSZCR-UHFFFAOYSA-N 309.417 3.418 10 10 DGCE COc1cccc2c1C(=O)c1ccc3c(c1C2=O)[C@H](O)C[C@H](C)C3 13889779 GCPUVEMWOWMALU-QMTHXVAHSA-N 322.360 3.086 10 10 DGCE biogenic CCN(C(=O)OC(C)(C)C)C(C)(C)[C@H](N)c1ccccc1O 1928468811 AMVMTGDROYDHNB-CQSZACIVSA-N 308.422 3.428 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H](F)[C@@H]1c1ccc(N)cc1O 1953073904 LQTYCTVICQTFME-OCCSQVGLSA-N 310.369 3.385 10 10 DGCE Cc1cc(CN)ccc1N1CCCSC[C@@H]1C(F)(F)F 2143600082 XAUMYAXKMIDSGU-CYBMUJFWSA-N 304.381 3.328 10 10 DGCE CC[C@@](N)(c1ccc(N(C)C)cc1)[C@H](C)NC(=O)OC(C)(C)C 1977944239 CJDXXICBMCHQPE-UGSOOPFHSA-N 321.465 3.230 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]2CC[C@H]1N2CCCCN=[N+]=[N-] 1982246709 YPOOTIAYOUWLMJ-BFHYXJOUSA-N 323.441 3.455 10 10 DGCE O=C1NC(=O)C(=CC(Br)=Cc2ccccc2)S1 2297624200 WMXCISXAYFYHAU-UHFFFAOYSA-N 310.172 3.289 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN1Cc1cnc(Br)s1 1984485558 NFAZBLJAMGHSSM-SSDOTTSWSA-N 302.201 3.180 10 10 DGCE C[C@@H](O)CN(Cc1ccccc1)c1ccc2c(c1)CCC[C@H]2N 1986601812 YKGQVCWBJHLFBK-FOIQADDNSA-N 310.441 3.410 10 10 DGCE COc1cc(N(C)CCCOCc2ccccc2)ccc1CN 1994426188 XZXBKSRMQKSUNA-UHFFFAOYSA-N 314.429 3.197 10 10 DGCE C[C@@H](N)c1ccc(N2CC(C(F)F)C2)c(Br)c1 706438106 OKONWNBLYAPSIZ-SSDOTTSWSA-N 305.166 3.170 10 10 DGCE CN[C@@H](C)c1ccc(N2CC(OCC(F)F)C2)c(Cl)c1 707664392 AEHPXULIWNQYNG-VIFPVBQESA-N 304.768 3.091 10 10 DGCE Cc1ccc(C=C2SC(=S)N(CCCC(=O)O)C2=O)cc1 2053493253 JRISRDBHOMHYBY-UHFFFAOYSA-N 321.423 3.061 10 10 DGCE COc1cc(Br)ccc1NCc1ccc(O)c(O)c1 712294472 VTVOVUYOVUCPSE-UHFFFAOYSA-N 324.174 3.481 10 10 DGCE CCN[C@H](C)c1ccc(N(C)[C@H](C)C[S@](C)=O)cc1Cl 399259108 ORLMYQGNYNIEAU-HTGLOVNISA-N 316.898 3.214 10 10 DGCE COC(=O)c1cc(CC(C)C)nn1[C@@H](C)c1ccc(F)cc1O 2070004399 WHGNPCAHBVAAGN-NSHDSACASA-N 320.364 3.322 10 10 DGCE Cc1ccc(Cn2nc(C3CC3)c(C(F)(F)F)c2N)c(O)c1 2079790883 SWMWEKVCLQMPSP-UHFFFAOYSA-N 311.307 3.424 10 10 DGCE Cc1ccc(CNCCC(C)(C)NC(=O)OC(C)(C)C)c(O)c1 1308920315 JXYZHAMBFDUIHL-UHFFFAOYSA-N 322.449 3.484 10 10 DGCE CNCc1cc(F)c(N(C)[C@@H]2CCCS[C@H]2C)c(F)c1 2197305012 IIAAXRPLTFVPQF-IINYFYTJSA-N 300.418 3.405 10 10 DGCE C[C@H](O)c1ccc(N2CC3(CC=CCO3)C2)cc1Br 2094981042 FCSIRQQTUBBNJB-NSHDSACASA-N 324.218 3.038 10 10 DGCE CC(C)N[C@]1(CO)CCC[C@H](Sc2nccs2)[C@@H]1C 2119189097 WVURIUXVRMLOMQ-OBJOEFQTSA-N 300.493 3.153 10 10 DGCE C[C@H]1CSc2ccccc2N(C(=O)/C=C/c2cnccn2)C1 492215243 SFOVKNCKHKMQAU-KTRBRXNASA-N 311.410 3.265 10 10 DGCE Cc1cccc(C(C)(C)NC(=O)C=Cc2ccc(O)c(O)c2)c1 2307987819 NBXSBUGCFLEBCS-UHFFFAOYSA-N 311.381 3.471 10 10 DGCE CCS[C@H]1CCCC[C@@H]1NC(=O)C=Cc1ccc(O)c(O)c1 2307989980 RMWRRTTUYUTRDN-BBRMVZONSA-N 321.442 3.292 10 10 DGCE CO[C@]1(C(F)F)C[C@H](CNCc2cnc(SC)s2)C1 2343216143 UHFCZHSHSNPCQD-LYWQIFSTSA-N 308.419 3.015 10 10 DGCE Nc1ccc(OC[C@H](O)CSc2ccc(F)cc2F)cc1 51328467 VAPQUDFWDGCKKS-LBPRGKRZSA-N 311.353 3.079 10 10 DGCE O=c1c2cc(Cl)ccc2nc2n1CC/C2=C/c1cccnc1 9313963 KOTHRODGJMDABE-WQLSENKSSA-N 309.756 3.389 10 10 DGCE COc1ccc(CN[C@@H](C)c2ccc(-n3cncn3)cc2)cc1C 29656429 ZMBZCGQNERNPIM-HNNXBMFYSA-N 322.412 3.435 10 10 DGCE CN[C@H](C)c1ccc(N(CCCOC)CCOC)c(Cl)c1 61697296 RVMGEXXXVXVXGW-CYBMUJFWSA-N 314.857 3.110 10 10 DGCE COc1ccc(N2CCCCC2)cc1NC(=O)NCC(C)C 62274164 MJEXBRAGIHJIKF-UHFFFAOYSA-N 305.422 3.463 10 10 DGCE CC(C)(C)OC(=O)N[C@H](Cc1ccc(CN=[N+]=[N-])cc1)C(=O)O 309890702 DMNMAHJEMCIRPE-GFCCVEGCSA-N 320.349 3.017 10 10 DGCE c1cc(N2CCCC2)ccc1CN1CC[C@H]2CSC[C@@H]2C1 1262012425 VXEVLWLUMDOKHX-IRXDYDNUSA-N 302.487 3.472 10 10 DGCE Oc1ccccc1CN1CCCC[C@@H]1c1nnc2n1CCCC2 179567634 VNDNCVIIYKVEDM-OAHLLOKOSA-N 312.417 3.047 10 10 DGCE COC(=O)[C@H](C)CN(Cc1ccccc1)Cc1ccccc1O 179557651 SXEVPSWQUWZKML-OAHLLOKOSA-N 313.397 3.204 10 10 DGCE c1cc(N2CCCCC2)ccc1CN[C@H]1CCc2[nH]ncc2C1 124617982 OGZBAXCELHJSKK-KRWDZBQOSA-N 310.445 3.047 10 10 DGCE CC(C)C(=O)N1CCC(N[C@@H](C)c2cc(Cl)ccc2O)CC1 184982659 MMCCRTDSZPIWRC-LBPRGKRZSA-N 324.852 3.343 10 10 DGCE CN(C)c1ccc2c(c1)[C@H](CN)N(C1(c3ccccc3)CC1)C2 71683311 GURKQKDHDYUPPX-IBGZPJMESA-N 307.441 3.257 10 10 DGCE C[C@H]1SCCS[C@H]1c1noc(-c2sccc2O)n1 135962501 AUAOOGMCHUNZCT-HTRCEHHLSA-N 300.430 3.413 10 10 DGCE Oc1ccc(CNCc2cc(Cl)cc(Cl)c2)c(O)c1O 2366805492 HKEMGXIGVIPUMB-UHFFFAOYSA-N 314.168 3.400 10 10 DGCE CN(Cc1cccc(Br)c1)Cc1cc(N)ccc1O 48891169 ARZRLQBXDBACBI-UHFFFAOYSA-N 321.218 3.369 10 10 DGCE CC[C@H](C)[C@H](O)[C@H](N)c1ccc(OCc2ccccc2)cc1O 95814268 KPKTVZPTGHAEON-BKTGTZMESA-N 315.413 3.378 10 10 DGCE O=C(O)/C=C/c1ccc(N2C[C@H]3C[C@H]3C2)cc1Br 380375951 ICUQBVRPJOVAEJ-BUYCOLMZSA-N 308.175 3.003 10 10 DGCE CCCCCC(=O)NCc1cc(Br)ccc1O 804733484 QRAZVOQASYLNHM-UHFFFAOYSA-N 300.196 3.351 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1C[C@H]1c1ccccc1 734527125 ZVHPKMQVVSVSRQ-OALUTQOASA-N 323.440 3.416 10 10 DGCE CCN(CC)c1ccc(CN2CC3(CCCOC3)C2)cc1F 839137302 DOJHMODGUCEEIU-UHFFFAOYSA-N 306.425 3.284 10 10 DGCE CC(C)(C)c1ccc(OCC(=O)NCc2ccccc2O)cc1 748352628 FCRQRODOKQHOIG-UHFFFAOYSA-N 313.397 3.385 10 10 DGCE O=C(NCc1ccccc1O)[C@H]1C[C@H]1c1cccc(Cl)c1 748345383 BEXUKTVUWBREDF-GJZGRUSLSA-N 301.773 3.466 10 10 DGCE C[C@@H](N[C@H]1c2sccc2OC(C)(C)[C@@H]1O)c1ccccc1O 840797711 WXZSWMHCTMKMDF-FUEDEBDSSA-N 319.426 3.378 10 10 DGCE Cc1cccc(CN2C[C@@H](C)NCc3ccc(F)cc32)c1O 841046471 BMSFNNFMBNRAMZ-CYBMUJFWSA-N 300.377 3.338 10 10 DGCE CCc1cccc(CN[C@H]2CCc3cnn(C(C)C)c3C2)c1O 848906424 VEAPSSJSELDXNY-KRWDZBQOSA-N 313.445 3.379 10 10 DGCE Cc1cc(CO)cc(C)c1CNCc1ccc(N(C)C)c(F)c1 922561304 OWSBURPVPDWGNF-UHFFFAOYSA-N 316.420 3.291 10 10 DGCE CC(C)(C)[C@@H]1CCN(Cc2cc(Cl)cc(F)c2O)C[C@@H]1O 757865409 GBWWKERSEQOXHU-OCCSQVGLSA-N 315.816 3.414 10 10 DGCE COc1ccc(N2CC[C@H](N[C@@H](C)c3cscn3)C2)cc1 850487757 JFROPCAAZVZXBL-STQMWFEESA-N 303.431 3.081 10 10 DGCE COc1ccc2c(c1)N(C(=O)/C=C\c1ccc(C)nc1)C[C@@H](C)O2 754317054 KGPJNMWSVWPVIT-DEBLGDTFSA-N 324.380 3.226 10 10 DGCE C[C@H](NC[C@H]1C[C@@H]2C[C@@H]2C1)c1ccc(N2CCOCC2)cc1 851897063 OCRDBJLZQMCGFM-ONIAQPFYSA-N 300.446 3.220 10 10 DGCE CCOC(=O)C1=CC[C@H](N[C@@H](C)c2cc(Cl)ccc2O)C1 858505748 PMSJHAISZFEMIX-GWCFXTLKSA-N 309.793 3.348 10 10 DGCE COC(=O)c1cc(OCc2ncc(C(C)C)o2)ccc1N(C)C 865396693 ZHVNLZWGJYHHEK-UHFFFAOYSA-N 318.373 3.230 10 10 DGCE CCc1cccc(CNC2(c3cc(C)no3)CCOCC2)c1O 862542634 WAOBPZXNTCPRTC-UHFFFAOYSA-N 316.401 3.047 10 10 DGCE CCN1CC[C@@H](N(C)Cc2ccc(N(C)C)c(F)c2)[C@@H](C)C1 769488802 ZOUALUIBYYBDRT-WMLDXEAASA-N 307.457 3.054 10 10 DGCE CN(Cc1ccccc1O)c1ccc(Br)cc1CO 1877517765 MROXWZXCSPLIOS-UHFFFAOYSA-N 322.202 3.283 10 10 DGCE Cc1cc(C)c(C(=O)NCc2ccc3c(c2)CCCN3C)c(C)n1 1142469261 FGCWKDNQSPIKJR-UHFFFAOYSA-N 323.440 3.319 10 10 DGCE C[C@H]1CCN(CCCCN=[N+]=[N-])C[C@H]1NC(=O)OC(C)(C)C 1962298751 HYWOXZHMJIFDAK-QWHCGFSZSA-N 311.430 3.312 10 10 DGCE Cc1nc(CC(=O)N[C@H](C)c2ccc(N(C)C)cc2)sc1C 1320441937 ZJYSRSBLJAFCBW-GFCCVEGCSA-N 317.458 3.246 10 10 DGCE COC1CC(NCc2cc(Cl)cc(Br)c2O)C1 708057340 UBWRPQPAAANZDU-UHFFFAOYSA-N 320.614 3.075 10 10 DGCE CN(C[C@H]1CCSC1)c1ccc(CN)c(C(F)(F)F)c1 718364780 MTINIKJGBQYBNJ-SNVBAGLBSA-N 304.381 3.353 10 10 DGCE Cc1cc(C(=O)Nc2c(Cl)ccc3nonc23)cc(C)n1 1271357070 SWLITFPVMJMYHC-UHFFFAOYSA-N 302.721 3.140 10 10 DGCE CN(C)c1ccc(CN(CC2CCC(O)CC2)C2CC2)cc1 1350359044 PLHNONSURCHUPX-UHFFFAOYSA-N 302.462 3.268 10 10 DGCE COc1ccc(CNC/C=C\CNC(=O)c2ccccc2)cc1C 1273814646 JJWXIGDSSCKVFS-SREVYHEPSA-N 324.424 3.079 10 10 DGCE C[C@H]1C[C@@H](C)O[C@H]1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1353912289 WGKHCEKYUWOIOI-HDMKZQKVSA-N 316.445 3.059 10 10 DGCE CC(C)C[C@@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 1439960255 LFTAGNYPXGXCMA-CRAIPNDOSA-N 319.493 3.154 10 10 DGCE CC(C)(C)n1cc(C(=O)NCc2c(O)ccc3ccccc23)cn1 1472086107 MASIFEDBFGHPOX-UHFFFAOYSA-N 323.396 3.427 10 10 DGCE COc1ccc(CN[C@H](C)CCNC(=O)[C@H](C)C2CC2)cc1C 1480758216 LNOJASOTVMGIMR-HUUCEWRRSA-N 318.461 3.034 10 10 DGCE CCC/C=C/[C@@H](O)C(=O)NCc1cc(Cl)cc(Cl)c1O 1556884227 RQGPCRWBVDEQLW-ZYOFXKKJSA-N 318.200 3.032 10 10 DGCE [N-]=[N+]=NC1CN(C(=O)c2cc(Cl)cc(Br)c2)C1 1912196808 MYOIAUVSIUBJKY-UHFFFAOYSA-N 315.558 3.237 10 10 DGCE CCc1nc(NC(=O)c2cc(C)ccc2-n2c(C)ccc2C)n[nH]1 1631174539 MPROUCAXIUHCOL-UHFFFAOYSA-N 323.400 3.335 10 10 DGCE COc1cccc(N(CC(C)C)C(=O)c2cccc(O)c2O)c1 1631411428 WCYXAEWOSUXMJI-UHFFFAOYSA-N 315.369 3.409 10 10 DGCE CN(Cc1ccccc1O)C(=O)NCc1cccc2[nH]ccc12 1565257290 SYZYTQQHZRQCEB-UHFFFAOYSA-N 309.369 3.215 10 10 DGCE C[C@H](NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccccc1O 1644183437 MMDYCYWPVPOIHP-JTQLQIEISA-N 312.329 3.028 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccc(C)n1C 1570417131 UPQXMGMHCUPFFI-CQSZACIVSA-N 313.445 3.069 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNCC[C@H]1CCC[C@H]1O 1913730497 BPZFUEJJNKOWMJ-NOZJJQNGSA-N 304.217 3.340 10 10 DGCE C[C@@H](N)c1ccc2c(c1)CCCN2CCOCC(F)(F)F 162217277 INLAZRONLGKPBD-LLVKDONJSA-N 302.340 3.038 10 10 DGCE C[C@@H](NCc1ccc(Br)cn1)c1ccccc1O 1651502262 YCXFHNNIMHQECX-SNVBAGLBSA-N 307.191 3.401 10 10 DGCE CS[C@H](C)Cn1c(-c2ccccc2)cnc1SCC(=O)O 163209518 KOQUURACLLDLEZ-LLVKDONJSA-N 322.455 3.478 10 10 DGCE C[C@H]1CCC[C@H](C)N1c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-] 33500550 BBMVJHBNZFRRAM-JONLBCGYSA-N 304.346 3.460 10 10 DGCE COc1ccc(N2CCN(CCC3CCCC3)CC2)c(OC)c1 1208696073 LBDLFTJZHUQTNX-UHFFFAOYSA-N 318.461 3.406 10 10 DGCE COc1cccc([C@@H](O)Cc2ccc(N)cc2)c1Br 2142377255 ITYTVBZAMKIQAF-ZDUSSCGKSA-N 322.202 3.316 10 10 DGCE Oc1ccc(Cl)cc1CNCc1cc(C(F)(F)F)no1 1967758898 GUHPFYAKJDIRLB-UHFFFAOYSA-N 306.671 3.342 10 10 DGCE Cc1ccc(O)c(CN[C@]23C[C@@H]2CN(Cc2ccccc2)C3)c1 1939379728 HNNAIRFULCDOPY-QUCCMNQESA-N 308.425 3.065 10 10 DGCE CN[C@@H]1C(=O)Nc2cc(N(Cc3ccccc3)CC3CC3)ccc21 1946900309 TUCIGYPJEBVRAO-IBGZPJMESA-N 321.424 3.316 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H](COc2ccc(N)cc2)C1 1951320508 VHGIKEZAVPEGKX-CYBMUJFWSA-N 306.406 3.295 10 10 DGCE Cc1ccc(CNCCC[C@@H](C)NC(=O)OC(C)(C)C)c(O)c1 1971941454 RBEMBWWFPGOSAO-CQSZACIVSA-N 322.449 3.484 10 10 DGCE CC(C)(C)OC(=O)N1C[C@]2(C)C[C@]2(COc2ccc(N)cc2)C1 1992465740 SDMWYYDOHSCIST-ZWKOTPCHSA-N 318.417 3.295 10 10 DGCE CC[C@]1(C)CCN1c1cc(Br)c(CN)cc1F 2007184014 FTTCEPZNAJCADN-CYBMUJFWSA-N 301.203 3.426 10 10 DGCE COc1ccc2cc(C=C3SC(=S)NC3=O)ccc2c1 2040444519 KZTUXSWVROHDIU-UHFFFAOYSA-N 301.392 3.337 10 10 DGCE O=Cc1cnn(Cc2cc(C(F)(F)F)ccc2O)c1C(F)F 2079042366 JDNGMQBRKCBOBU-UHFFFAOYSA-N 320.217 3.406 10 10 DGCE NC[C@H](Nc1c(N)cccc1Br)C1CCCCC1 2071607041 OKFIKDYTMKVZLM-ZDUSSCGKSA-N 312.255 3.351 10 10 DGCE Nc1ccc(CCOc2ccc(Br)cc2N)cc1 2078137320 KZQBZNYLRMUUSQ-UHFFFAOYSA-N 307.191 3.235 10 10 DGCE COc1ccc(Br)c(CN[C@@H]2CCC[C@@H]2F)c1O 2220462824 RGTAMLNYQDSPFX-WDEREUQCSA-N 318.186 3.144 10 10 DGCE NCc1ccc(N2CCC[C@@H](OC(F)(F)F)C2)c(Cl)c1 2238820889 QGHPIJANTFJHKJ-SNVBAGLBSA-N 308.731 3.304 10 10 DGCE N[C@H](c1ccccc1O)c1cc(F)c(Br)cc1F 2255687072 BDMAXDYTEBDJDB-CYBMUJFWSA-N 314.129 3.481 10 10 DGCE Oc1ccc(Cl)cc1CN1CCC[C@@H](OCC(F)F)C1 2279274687 IKOUKYMGTWBARI-GFCCVEGCSA-N 305.752 3.292 10 10 DGCE CC(F)(F)c1ncc(C(=O)N2CCC(N=[N+]=[N-])CC2)s1 2289297896 ZBBDPUWZLXGUBQ-UHFFFAOYSA-N 301.322 3.170 10 10 DGCE O=C1C(=C[C@H]2CC=CCC2)SC(=S)N1C[C@@H]1CCCO1 2296701108 RMUGCXRQFPCRGN-RYUDHWBXSA-N 309.456 3.266 10 10 DGCE CCOC(=O)[C@H]1CCCN(N=Nc2cc([N+](=O)[O-])ccc2C)C1 2330193799 ATILWDYILHUOMM-LBPRGKRZSA-N 320.349 3.177 10 10 DGCE CC[C@@H]1CC(=O)N(Cc2ccc(C)c(Br)c2O)C1 2327797157 RSEQBKXWUJFKEO-SNVBAGLBSA-N 312.207 3.222 10 10 DGCE CCc1ccc(/C=C2/SC(=S)N(CCOC)C2=O)s1 2986570 VKGJWSCZYDHNQT-DHZHZOJOSA-N 313.469 3.158 10 10 DGCE NC1CCN(c2ccc(OCOCc3ccccc3)cc2)CC1 303824453 FUKNSUJHNREYNG-UHFFFAOYSA-N 312.413 3.167 10 10 DGCE COc1ccc(N(C[C@H](O)C(F)(F)F)[C@@H](C)C2CC2)cc1 181758496 KHANLNRHUQWOCB-HZMBPMFUSA-N 303.324 3.223 10 10 DGCE Oc1ccc(CNCc2cc(Cl)c(O)c(Cl)c2)c(O)c1 2365590056 BWPBJOPDDZSWCE-UHFFFAOYSA-N 314.168 3.400 10 10 DGCE OC[C@@H]1CCC[C@H](NCc2ccc(N3CCCCC3)cc2)C1 319094597 CXJMIJALCSVTKX-MSOLQXFVSA-N 302.462 3.318 10 10 DGCE CNCc1ccc(OC)c(C[S@@](=O)c2ccccc2C)c1 84040187 QSXOOLTYZNLHJT-NRFANRHFSA-N 303.427 3.031 10 10 DGCE COc1cc(OC)cc(N(C)Cc2cc(OC)ccc2O)c1 191682896 BZANSPWWCCPODW-UHFFFAOYSA-N 303.358 3.054 10 10 DGCE Cc1ccc(/C=C2\C(=O)N(c3ccc(O)cc3)C(=O)N=C2O)cc1 96703633 CUAWQLQVFPGAHC-GDNBJRDFSA-N 322.320 3.207 10 10 DGCE CC(C)(C)N(CC(=O)O)Cc1cc(Cl)cc(Cl)c1O 92450806 KGOYYXUDQPEGCS-UHFFFAOYSA-N 306.189 3.384 10 10 DGCE COc1ccccc1NC(=S)N(C(C)=O)c1ccc(N)cc1 242620885 CMTROLSNVVYJKR-UHFFFAOYSA-N 315.398 3.027 10 10 DGCE COc1ccc(O)c([C@H](CCC(F)(F)F)N2CCOCC2)c1 575304154 GBMIDJNUMLMIQB-ZDUSSCGKSA-N 319.323 3.117 10 10 DGCE C[C@@]12COC[C@@H]1CN(Cc1cc(Cl)cc(Cl)c1O)C2 827284697 VMMCUPDCULMQCR-IINYFYTJSA-N 302.201 3.167 10 10 DGCE CC[C@@H](C)N1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 835053883 FUMNILFRTTUJTH-JTGQJZMRSA-N 301.478 3.182 10 10 DGCE CN1CCC[C@H](CCNC/C=C/c2ccc(N(C)C)cc2)C1 839182847 QPFDCHTUEQSOOH-MJICGBHWSA-N 301.478 3.087 10 10 DGCE CCCN1CCC(CNC/C=C\c2ccc(N(C)C)cc2)CC1 835036170 AVTGDESHJRJAFN-WAYWQWQTSA-N 315.505 3.477 10 10 DGCE COc1cc(Cl)cc(CN2CC(CC(F)(F)F)C2)c1O 839139270 ZOSZXESNMCFORH-UHFFFAOYSA-N 309.715 3.438 10 10 DGCE C[C@]1(C(=O)NCc2ccc(O)cc2O)CCCc2ccccc21 910954736 MJKMUHNKKBKSFF-IBGZPJMESA-N 311.381 3.008 10 10 DGCE COC[C@@H](CC(C)(C)C)N[C@@H](C)c1cc(C(=O)OC)ccc1O 848564232 KDQHBDXJNSMONL-GXTWGEPZSA-N 323.433 3.281 10 10 DGCE COc1cccc(CNC[C@@H]2CSc3ccccc3O2)c1O 842726631 KYEKYFNKODBZIM-CYBMUJFWSA-N 317.410 3.044 10 10 DGCE CN(C)c1ccc(/C=C\CNC[C@H]2CC[C@H](CN)CC2)cc1 841084225 XQEMBNHDCHITNT-BSWVIFLNSA-N 301.478 3.121 10 10 DGCE Oc1ccc2oc3c(c2c1CN1C[C@@H]2CC[C@H](C1)O2)CCCC3 744435913 GYJUNRXHKIANIX-BETUJISGSA-N 313.397 3.380 10 10 DGCE COc1cc(CN[C@@H]2CCC[C@@H](CO)C2)c(O)c(C(C)(C)C)c1 850326634 APTWJWLZUZWQCA-UKRRQHHQSA-N 321.461 3.339 10 10 DGCE CCC(C)(C)CC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855232243 RRTDKSWPKQYXLC-AWEZNQCLSA-N 304.434 3.216 10 10 DGCE Cc1ccc([C@@H](C)N[C@H]2C[C@@](CN)(c3ccccc3)C2)c(O)c1 925887099 RMGOEKCZDYAQLH-MDYRTPRTSA-N 310.441 3.410 10 10 DGCE Cc1cc(Cl)cc([C@@H](C)NCCc2cc(C)n(C)n2)c1O 926910933 NMGRSQJZVRHMAS-GFCCVEGCSA-N 307.825 3.289 10 10 DGCE CN(C)c1ccc(CNC(=O)C(C)(C)c2ccccc2F)cc1 750713445 PNWDXUSGTJTJFE-UHFFFAOYSA-N 314.404 3.486 10 10 DGCE CCOC(=O)C1=CC[C@H](N[C@H](C)c2ccc(N(C)C)cc2)C1 858504250 NPTCDNCDXSKDAC-CJNGLKHVSA-N 302.418 3.055 10 10 DGCE Cc1ccc([C@@H](C)Nc2cccc([C@H]3CNC(=O)C3)c2)c(O)c1 757619055 KDWPHTDXSDTKBX-UKRRQHHQSA-N 310.397 3.477 10 10 DGCE C[C@H](NC[C@@H]1CCC12CCOCC2)c1cc([N+](=O)[O-])ccc1O 866528968 LFSQUEDTKFZJOI-STQMWFEESA-N 320.389 3.158 10 10 DGCE CN(C)c1ccc(CNC(=O)NC2CCC3(CC2)CC3)cc1F 765477185 DFKOWZYWPVKIEW-UHFFFAOYSA-N 319.424 3.414 10 10 DGCE CCCN(CCC)c1ccc(CN2CCCC[C@H]2C(N)=O)cc1 768184967 KHGRCSSUANEPRF-SFHVURJKSA-N 317.477 3.153 10 10 DGCE COC(=O)C[C@H](C)OC(=O)c1sccc1-n1c(C)ccc1C 774509568 KNTXCOFZBSTHME-LBPRGKRZSA-N 321.398 3.264 10 10 DGCE CCOc1ccc(O)c(CN2CCC[C@H]2C2CCOCC2)c1 777439147 HWBGBXCJYSTFNR-KRWDZBQOSA-N 305.418 3.182 10 10 DGCE O=C(NCC[C@H]1CC1(F)F)c1cc2cc(O)c(O)cc2s1 899043508 YTKJBZFRDAYJHY-QMMMGPOBSA-N 313.325 3.088 10 10 DGCE CCCN1C(=O)/C(=C\c2cc(OC)ccc2OC)SC1=S 96505025 NGAKFMLRKCYGLJ-UKTHLTGXSA-N 323.439 3.315 10 10 DGCE CCOC[C@H](O)CNc1ccccc1OCc1ccccc1 390790275 VZCITAKIWNVBIE-MRXNPFEDSA-N 301.386 3.075 10 10 DGCE CC[C@@H]1OCC[C@H]1CNCc1c(O)cccc1Br 706871582 KDRSRVOTOAMSKX-HZMBPMFUSA-N 314.223 3.059 10 10 DGCE Cc1ccc(Br)c(NCc2cc(N)ccc2O)n1 712338421 WYZQBWPKOAYYCA-UHFFFAOYSA-N 308.179 3.052 10 10 DGCE CCN(Cc1ccc(Br)cc1O)[C@H]1CCCOC1 691681869 ZANJCIURFRXCHJ-ZDUSSCGKSA-N 314.223 3.156 10 10 DGCE COC(=O)c1cc(NC(=O)c2cc(O)cs2)c(C)cc1C 1154461869 KZUPQXPKIGZFRT-UHFFFAOYSA-N 305.355 3.109 10 10 DGCE Cc1ccc(C2(C(=O)NCc3cccc(O)c3O)CCC2)cc1 1347232766 BJLCOINFBRKTSN-UHFFFAOYSA-N 311.381 3.144 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCCN(C(=O)C(F)(F)C(F)(F)F)C1 1912210756 NJSZYSTYJYMJHY-SSDOTTSWSA-N 300.231 3.123 10 10 DGCE CC[C@](C)(O)CN(Cc1ccccc1)Cc1cc(N)ccc1O 1915164553 IUAYDVMJRUUGIN-IBGZPJMESA-N 314.429 3.138 10 10 DGCE C[C@@H](NC(=O)c1ccn(Cc2ccccc2)n1)c1ccccc1O 1471195108 BUXWYIFDFIZSJM-CQSZACIVSA-N 321.380 3.128 10 10 DGCE Cc1ccc(O)c(CNC(=O)NC[C@@H]2C[C@H]2Cc2ccccc2)c1 1565473624 LJXOFRLURLZDRP-SJORKVTESA-N 324.424 3.379 10 10 DGCE COc1ccc(N2CCN(CC[C@@H]3C[C@H]3C3CC3)CC2)cc1F 1652873139 CNEVACUDRVANIJ-WBVHZDCISA-N 318.436 3.393 10 10 DGCE C[C@@H](NC(=O)/C=C\c1cnc2ccccc2n1)c1ccccc1O 1587444910 RFEGYXNUVDGGQE-BSYHEUMXSA-N 319.364 3.226 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNc1ccc(N)cc1 1959371275 QUNSJCHBERKIBE-CHWSQXEVSA-N 305.422 3.184 10 10 DGCE COc1cc(CN(C)C[C@H]2CCCO2)c(O)c(C(C)(C)C)c1 164356149 LDKNCHLKXMVFJD-CQSZACIVSA-N 307.434 3.309 10 10 DGCE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@H](N)c2ccccc2O)C1 1938979736 TXQPDOHKMXULDN-XNRPHZJLSA-N 320.433 3.428 10 10 DGCE CC[C@H](C)C[C@@](CO)(CSc1nccs1)NC(C)C 2142624285 ORLANNCQYXLRNO-GXTWGEPZSA-N 302.509 3.401 10 10 DGCE C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CCN1CCCN=[N+]=[N-] 1962303898 JSIMKDPTQPWYKQ-CHWSQXEVSA-N 311.430 3.312 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](NCc2c(O)cccc2F)C1 1976861387 VRNWXKHFAXJKKA-VXGBXAGGSA-N 324.396 3.067 10 10 DGCE C[C@@H](N)c1ccc(N2CCOCC[C@H]2C)c(Br)c1 2031626975 TUEOUJGAAZZRIC-GHMZBOCLSA-N 313.239 3.084 10 10 DGCE CNCc1ccc(N(C)C2[C@H]3CCC[C@H]23)cc1Br 2033879960 MTWVHGMDYMRNAK-STQMWFEESA-N 309.251 3.403 10 10 DGCE CC[C@@H](C)N(CCOC)Cc1ccc(Br)cc1O 691778829 JEIWPICXWTUTJI-LLVKDONJSA-N 316.239 3.402 10 10 DGCE COc1cccc(CNCc2coc(Br)c2)c1O 386137581 ZSWUSYKDRLVSGF-UHFFFAOYSA-N 312.163 3.046 10 10 DGCE CN(CCNCc1ccc2c(c1)CCCN2C)Cc1ccccc1 386771666 KMMVZMGVUVTWCL-UHFFFAOYSA-N 323.484 3.291 10 10 DGCE Cc1cccc(Cn2cc(C(=O)OC(C)(C)C)c(C)n2)c1O 2070267074 JPMVUMKKVSKTFN-UHFFFAOYSA-N 302.374 3.209 10 10 DGCE C[C@@H](N)c1ccc(N(C)Cc2c(Cl)ncn2C)c(Cl)c1 2168141863 NIWDVGLGYDZCJN-SECBINFHSA-N 313.232 3.383 10 10 DGCE CCN[C@H](C)c1ccc(N2CC(CF)(OC)C2)c(Cl)c1 2168890001 XHNODLCNEZZPQH-LLVKDONJSA-N 300.805 3.185 10 10 DGCE CN(c1cc(Br)c(CN)cc1F)[C@@H]1CC[C@@H]2C[C@H]21 2046868094 WPSBSIVLCNKRJS-ZDSQKVDBSA-N 313.214 3.282 10 10 DGCE C[C@@H](N)c1ccc(N(CC(F)(F)F)C2COC2)cc1Cl 2196630851 RVHYLGYDWLXDSS-MRVPVSSYSA-N 308.731 3.127 10 10 DGCE CCN[C@H](C)c1ccc(N2CC(SC(F)F)C2)cc1O 2196704718 QKKILPGPNJSSGN-SECBINFHSA-N 302.390 3.207 10 10 DGCE C[C@H](N)c1ccc(N(C)Cc2ccno2)cc1Br 2082480180 XCRGNHLSNXRFGQ-VIFPVBQESA-N 310.195 3.093 10 10 DGCE CS[C@@H](CNCc1cccc(Br)c1O)C1CC1 2212994316 KIPYYGWXROONEB-LBPRGKRZSA-N 316.264 3.386 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@@H]1NC(=O)c1ccc(Cl)nc1Cl 2225794111 CORPYZBWYQOWSV-YUMQZZPRSA-N 300.149 3.350 10 10 DGCE O[C@@H]1[C@H]2C[C@@H]3CN(c4ccc(OCc5ccccc5)cc4)[C@H]1[C@H]3C2 2299509481 AMTLKPRWRCDSMR-CEDHKZHLSA-N 321.420 3.471 10 10 DGCE Nc1ccc(CCNC(=O)C=Cc2ccnc3ccccc23)cc1 2301696511 PFNYEXDMOJFAJH-UHFFFAOYSA-N 317.392 3.189 10 10 DGCE COc1cc(OC)cc(N(C)C(=O)C=Cc2cncc(C)c2)c1 2311122583 MPMFCQVQRMBLPH-UHFFFAOYSA-N 312.369 3.083 10 10 DGCE CCC1(C(=O)NCc2ccc(C)c(Br)c2O)CC1 2327800922 OQSDUDUOVUGSMU-UHFFFAOYSA-N 312.207 3.270 10 10 DGCE CCN(Cc1ccc(C)c(Br)c1O)C(C)(C)CN 2327803660 FTCNUNPEEQPWLD-UHFFFAOYSA-N 315.255 3.022 10 10 DGCE Brc1cc(N2C[C@H]3C=C[C@@H]2C3)ccc1CNC1CC1 2329321613 MXHNUPSLKRPDPI-SMDDNHRTSA-N 319.246 3.466 10 10 DGCE CSc1cc(N2CC[C@@H](SC(F)F)C2)ccc1CN 2353856840 IWBTZLCYRGFGLT-LLVKDONJSA-N 304.431 3.402 10 10 DGCE CC(C)N(Cc1ccccc1)c1cc2c(cc1N)OCC(=O)N2 302864877 UUKJBNZAQBNRKA-UHFFFAOYSA-N 311.385 3.015 10 10 DGCE COCc1ccc([C@@H]2CCCN2Cc2ccc(OC)cc2O)o1 137068113 HLAJXFYNPLSOKN-INIZCTEOSA-N 317.385 3.477 10 10 DGCE COCCNCc1ccc(N2CCS[C@H](C)[C@@H]2C)cc1C 133287808 SOVIXBQCMYDLCK-LSDHHAIUSA-N 308.491 3.061 10 10 DGCE C[C@@H](N)Cc1cccc2c1ccn2CCOCC(F)(F)F 80355501 UEHQMKBCVUCUSD-LLVKDONJSA-N 300.324 3.110 10 10 DGCE CCCN(Cc1ccc(N)cc1)Cc1c(Cl)c(C)nn1C 89234551 UNBHMFDZUUNECV-UHFFFAOYSA-N 306.841 3.376 10 10 DGCE COc1cccc(CN2Cc3ccccc3N(C)C[C@@H]2C)c1O 93637205 BAEAVWFZFJWAHP-AWEZNQCLSA-N 312.413 3.241 10 10 DGCE C[C@H](CN(C)Cc1ccccc1)NCc1ccc2c(c1)CCN2C 383360298 SMLLKWCMVYINOX-QGZVFWFLSA-N 323.484 3.289 10 10 DGCE C[C@H](O)c1ccc(N(C)Cc2ncc(Cl)n2C)c(Cl)c1 2166113055 BUCSUGJGGAZFIG-VIFPVBQESA-N 314.216 3.417 10 10 DGCE C[C@@H]1CN(c2ccc(/C=C\C(=O)O)cc2Br)[C@@H]1C 706830224 ITIWKJDGVFUCFR-IVRGCMMQSA-N 310.191 3.392 10 10 DGCE CN1CCc2cc([C@@H](N)[C@@H](O)c3cc(Cl)cs3)ccc21 2163137013 ZCINPLVMNMCMQU-CABCVRRESA-N 308.834 3.127 10 10 DGCE C[C@H](N[C@H]1CCNC[C@@H]1C)c1ccc(N2CCCCC2)cc1 817971194 KKEHYUWFIWEFMY-BXWFABGCSA-N 301.478 3.326 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)/C=C\[C@@H]1CCCO1 819137676 HBLCKNUEXMBJQQ-JYBLJSLWSA-N 316.445 3.225 10 10 DGCE NC1(CN[C@@H]2CCc3cccc(O)c32)C2CC3CC(C2)CC1C3 817983324 AGTJGFNZWGFBAV-HTMWUWIFSA-N 312.457 3.123 10 10 DGCE C[C@@H](NCC1=CCOCC1)c1ccc(Br)cc1O 834859401 BEMFPVZYIHLJRJ-SNVBAGLBSA-N 312.207 3.152 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2C[C@@H]2c2ccccc2)c1 839652033 YMGACMFKWSEKKH-JLZZUVOBSA-N 311.381 3.382 10 10 DGCE C[C@@H]1CC(C)(C)C[C@](CO)(NCc2ccc(N(C)C)cc2)C1 740008162 XIXXBRLXGAOQCM-DNVCBOLYSA-N 304.478 3.420 10 10 DGCE C[C@@H](O)[C@H](NCc1cc(Cl)ccc1O)c1ccccc1F 846017947 RIMPFWQBVWTVPK-HWPZZCPQSA-N 309.768 3.396 10 10 DGCE CCc1cccc(CNC2CCC(c3nc(C)no3)CC2)c1O 848898025 OLYSFCPPHPHVFP-UHFFFAOYSA-N 315.417 3.462 10 10 DGCE CCOc1ccc(O)c(CN2CC3(CCOCC3)[C@@H]2C(C)C)c1 840968643 BQSHARDXCXWCJP-SFHVURJKSA-N 319.445 3.428 10 10 DGCE Cc1cccc2ncc(CN3CCCc4cc(CN)ccc43)n12 843057388 CWWYJVZTNVRGNG-UHFFFAOYSA-N 306.413 3.054 10 10 DGCE C[C@@H](NC[C@@H]1CC[C@H](N)C1)c1cccc(C(F)(F)F)c1O 925879444 DRSCIOCOHVUHTJ-MXWKQRLJSA-N 302.340 3.189 10 10 DGCE CC[C@H](N[C@H]1C(=O)N(C)Cc2ccccc21)c1ccc(C)cc1O 857876939 ISINWAFVICWKEJ-PKOBYXMFSA-N 324.424 3.455 10 10 DGCE CCCC1(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CCC1 855234127 SQDUBNDRIFORDN-OAHLLOKOSA-N 316.445 3.361 10 10 DGCE CCOC(=O)CN(Cc1ccccc1O)C[C@]1(C)CCCS1 862397953 RLTOYKOFQZGSCA-KRWDZBQOSA-N 323.458 3.043 10 10 DGCE CC(C)Oc1nc(N2Cc3cccc(O)c3C2)ccc1[N+](=O)[O-] 866117827 RUFVAFNHMMSVQD-UHFFFAOYSA-N 315.329 3.003 10 10 DGCE CCCN(Cc1cnn(-c2ccccc2)n1)c1ccc(CN)cc1 775141050 VIQSGJUQONXNQP-UHFFFAOYSA-N 321.428 3.143 10 10 DGCE Cc1cc(O)c(CN2CCO[C@@H](C(F)F)CC2)cc1Cl 872253994 OHNCXTYSMGKDCA-CYBMUJFWSA-N 305.752 3.210 10 10 DGCE CC(C)[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C1CC1 898978109 RMHPZWXQDJOQJK-HNNXBMFYSA-N 305.399 3.477 10 10 DGCE CN(CCOC(C)(C)C)c1ccc(CO)c(Br)c1 690094878 OWHGVIXQCPXXLS-UHFFFAOYSA-N 316.239 3.193 10 10 DGCE Cc1ccsc1CCNC(=O)c1ccc(N=NC(N)=O)cc1 1137839471 GJMUOKMTRLKVOR-UHFFFAOYSA-N 316.386 3.191 10 10 DGCE CN(c1ccc(CN)cc1)[C@H]1CCCN(Cc2ccccc2)C1 388480181 KATGDECLQUYYEZ-FQEVSTJZSA-N 309.457 3.246 10 10 DGCE OCCc1ccc(NCc2c(O)cccc2Br)cc1 706809568 FLFBEUXEEJLYMS-UHFFFAOYSA-N 322.202 3.302 10 10 DGCE CC(C)c1noc(CCNC/C=C\c2ccc(N(C)C)cc2)n1 1328107058 HTFKOHGHUYWMOR-WAYWQWQTSA-N 314.433 3.105 10 10 DGCE CO[C@H]1C[C@@H](CF)N(Cc2cc(Cl)cc(Cl)c2O)C1 2133721563 CZJZWAVHZROUPL-QWRGUYRKSA-N 308.180 3.258 10 10 DGCE Cc1ccc(Br)c(C(=O)N2CC[C@H](N=[N+]=[N-])C2)c1 1912178094 LPGAUKMQLQKMHM-VIFPVBQESA-N 309.167 3.282 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN(Cc2nc(Cl)cc(Cl)n2)C1 1912149320 DZUUNPOSKVNBNK-MRVPVSSYSA-N 301.181 3.306 10 10 DGCE O=C(N[C@@H]1COc2ccccc2C1)c1ccccc1-n1cccc1 1290947189 WLXCOYXDXJFXDM-INIZCTEOSA-N 318.376 3.211 10 10 DGCE CCOCCCNCc1ccc(N(CC)CC)c(OCC)c1 211971280 RYPWKUSJXDCHRJ-UHFFFAOYSA-N 308.466 3.448 10 10 DGCE CC(C)[C@H](CO)N(CCc1ccc(N)cc1)Cc1ccccc1 1915323749 KSQKRAXRMQZBGL-FQEVSTJZSA-N 312.457 3.330 10 10 DGCE CCOc1cccc(C(=O)NCc2ccc3cccnc3c2O)c1 1451957424 SWJKNPOOZGESNK-UHFFFAOYSA-N 322.364 3.269 10 10 DGCE Cc1cccc(-n2c(C)cc(CNC(=O)c3cnc[nH]3)c2C)c1 1454626878 SZZFVEJITCBSTH-UHFFFAOYSA-N 308.385 3.056 10 10 DGCE Cc1ccc2c(c1)[C@H](NC(=O)NCc1c(O)cccc1F)CC2 1478912047 IZPOSTKQGMBYMK-MRXNPFEDSA-N 314.360 3.326 10 10 DGCE C[C@H](CNCc1cc(Cl)cc(Cl)c1O)N1CCCC1 112017019 DSYNSPBHCUGRIM-SNVBAGLBSA-N 303.233 3.273 10 10 DGCE O=C(c1ccc(-n2cccc2)cc1)N1Cc2cccc(O)c2C1 1558034369 DKOQSAFCHPRGPY-UHFFFAOYSA-N 304.349 3.339 10 10 DGCE COc1cccc(O)c1C(=O)NCc1c(O)ccc2ccccc12 1635969422 QAHDMCISDXSIIN-UHFFFAOYSA-N 323.348 3.190 10 10 DGCE C/C(=C\C(=O)NCc1ccc(O)cc1O)c1ccccc1Cl 1639444474 MXYGCIDOXGIODX-DHZHZOJOSA-N 317.772 3.471 10 10 DGCE COc1ccc(N(C)C[C@@H]2CC[C@@H](C(F)(F)F)O2)c(OC)c1 1652957670 NDKVNVLTXZSKHA-FZMZJTMJSA-N 319.323 3.250 10 10 DGCE C[C@H]1CCC(F)(F)CN1Cc1ccc(N2CCOCC2)cc1 1656482489 HRLWHBNVMHIREN-AWEZNQCLSA-N 310.388 3.143 10 10 DGCE O=C(Cc1scnc1-c1ccccc1)NCc1ccccc1O 1595792081 DDJNBJXCZKMEGN-UHFFFAOYSA-N 324.405 3.375 10 10 DGCE O=C(CCn1c2c(c3ccccc31)CCCC2)Nc1ncccn1 1849979022 DALJCBDTJFUAGO-UHFFFAOYSA-N 320.396 3.339 10 10 DGCE CCN(CCN=[N+]=[N-])[C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 1962299077 JZFQBKYJUUSCOF-QWHCGFSZSA-N 311.430 3.312 10 10 DGCE C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CC(C)(C)CN1CCN=[N+]=[N-] 1962303686 IRPXRDFAISVFON-VXGBXAGGSA-N 311.430 3.310 10 10 DGCE C[C@H]1CCN(CCCN=[N+]=[N-])C[C@@H]1CNC(=O)OC(C)(C)C 1962306139 YFUVKIIMHJXQOJ-STQMWFEESA-N 311.430 3.170 10 10 DGCE Oc1cccc(Cl)c1CN[C@@H]([C@H]1CCOC1)C(F)(F)F 2143638036 JGKPMGJXSXXCTJ-UFBFGSQYSA-N 309.715 3.103 10 10 DGCE C[C@@]1(F)CCCN(c2ccc(CN)cc2Br)C1 1946855868 KEFIMGGLIPPQFT-CYBMUJFWSA-N 301.203 3.236 10 10 DGCE C[C@H]1OCC[C@H]1CCNCc1c(O)cccc1Br 1972151667 XRWVKLIUHNMSRS-GHMZBOCLSA-N 314.223 3.059 10 10 DGCE CN1CCc2cc([C@H](O)CCCNC(=O)OC(C)(C)C)ccc21 1977957566 GROQDIISXVXAIF-MRXNPFEDSA-N 320.433 3.017 10 10 DGCE C[C@@H](CN(C)C(=O)OC(C)(C)C)[C@H](O)c1ccc(N(C)C)cc1 1977937608 COXLJNIIOXRYSV-BBRMVZONSA-N 322.449 3.289 10 10 DGCE Cc1cc(C=CC(=O)O)ccc1N1CC(OCc2ccccc2)C1 1998332446 APUOVEILETXXGM-UHFFFAOYSA-N 323.392 3.498 10 10 DGCE CC(C)OC1CN(c2ccc([C@@H](C)O)c(Br)c2)C1 2040861425 JTCPSDMDTUIQMM-SNVBAGLBSA-N 314.223 3.116 10 10 DGCE CCOC(=O)[C@](C)(C[C@@H](C)Sc1nccs1)NC(C)C 68639629 RODZCOJUWSUWHM-RISCZKNCSA-N 316.492 3.334 10 10 DGCE OC[C@H]1CC[C@](F)(CNCc2cccc(Cl)c2O)CC1 2178637160 DHFJZILLZQEGMR-WGRBQBNCSA-N 301.789 3.026 10 10 DGCE C[C@H](O)c1ccc(N(CCO)Cc2ccsc2)cc1Cl 2171089156 OSALJLYLBMPVKM-NSHDSACASA-N 311.834 3.454 10 10 DGCE Oc1c(F)cc(Br)cc1CNC1C[C@@H]2C[C@H]2C1 715768437 DACOHVUUMBYJSA-YUMQZZPRSA-N 300.171 3.182 10 10 DGCE CCNCc1ccc(N(C)C[C@@H]2OCC[C@@H]2F)cc1Cl 2179098513 APEOHBBMIJKWJO-GJZGRUSLSA-N 300.805 3.013 10 10 DGCE Cc1cc(O)c([C@H](C)n2nc(CC(C)C)cc2CN)cc1C 2070095710 RRSPQLUGTQZCOB-AWEZNQCLSA-N 301.434 3.472 10 10 DGCE Oc1ccc(Cl)cc1CNCc1cnn(C(F)(F)F)c1 2175134945 ZRYPLYCBQVKMIL-UHFFFAOYSA-N 305.687 3.008 10 10 DGCE CC[C@@H](CN(C)c1ccc(CNC)c(Br)c1)OC 2068250143 SLEFYCBZIOBKQN-ZDUSSCGKSA-N 315.255 3.030 10 10 DGCE C[C@@H](CNCc1c(O)cccc1Br)OC(C)(C)C 2072115720 SCILTALOSKUHHZ-JTQLQIEISA-N 316.239 3.448 10 10 DGCE CSc1ncc(CNc2c(F)cccc2C(N)=S)s1 2269242580 PZHWTNPWHFFPIL-UHFFFAOYSA-N 313.448 3.250 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@H]1NC(=O)C(C(F)(F)F)C(F)(F)F 2234165652 FPCPLPQGRHTFDD-UHNVWZDZSA-N 304.194 3.075 10 10 DGCE Cc1nn(C)c(Cl)c1C=CC(=O)N1CCc2ccc(F)cc21 2297412258 JNYXLECGGLTBMR-UHFFFAOYSA-N 319.767 3.124 10 10 DGCE CC(C)[C@H]1CCCN(C(=O)C=Cc2ccc(O)c(O)c2)CC1 2308001206 JLFMGQYSXCUCJM-HNNXBMFYSA-N 303.402 3.396 10 10 DGCE CCCCOc1ccc(N=NN2CCC(C(N)=O)CC2)cc1 2330342969 DCICYTVLDDHFEF-UHFFFAOYSA-N 304.394 3.062 10 10 DGCE Cc1ccc(CNc2ncc(C)n2C)c(O)c1Br 2327594085 KRSQGUXYUAUXOC-UHFFFAOYSA-N 310.195 3.117 10 10 DGCE CCc1nc([C@H](N)c2ccc3c(c2)CCCN3C)sc1C 50287813 ZYVDJPQMUCCMNB-MRXNPFEDSA-N 301.459 3.444 10 10 DGCE C[C@@H](NC1CCN(c2ccccn2)CC1)c1cc(F)ccc1O 176982484 BJQVCJKIUKJZCP-CYBMUJFWSA-N 315.392 3.246 10 10 DGCE COC(=O)/C=C/c1ccc(N2C[C@H]3CCC[C@H]3C2)c([N+](=O)[O-])c1 301615398 VCBSSDLQWLVQAB-FZBZROKSSA-N 316.357 3.017 10 10 DGCE CN(C)c1ccc(CNC(=O)N[C@@H]2C[C@H]2c2ccccc2)cc1 127152319 TZFDVQWMLQOJIG-ZWKOTPCHSA-N 309.413 3.108 10 10 DGCE C[C@H](NCC[C@H]1C(=O)Nc2ccccc21)c1ccc(F)cc1O 185878133 DDBQAOSNCSMHPW-XHDPSFHLSA-N 314.360 3.308 10 10 DGCE CSCCCCN[C@@H](C)c1ccc(N2CCOCC2)cc1 133578415 NQMCBPKUEUYOGW-HNNXBMFYSA-N 308.491 3.317 10 10 DGCE C[C@@H](N)c1ccc(N(C)[C@H]2CCO[C@@H]2C)c(Br)c1 159719633 ZSPCVNMAFNBCTQ-BREBYQMCSA-N 313.239 3.082 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)c2scnc2C2CC2)c1 89817265 DNCJDALVCIDHBG-SECBINFHSA-N 318.398 3.226 10 10 DGCE C[C@@H]1CN(c2ccc(CN)c(Br)c2F)C[C@H]1C 231840296 VFOKFQRIEIUQIV-RKDXNWHRSA-N 301.203 3.139 10 10 DGCE Cc1cc(Cl)cc(CN2CCC(NC(=O)C(C)C)CC2)c1O 271696166 BDPAQFKKNINTHG-UHFFFAOYSA-N 324.852 3.091 10 10 DGCE Cc1cc(C(=O)NC2(C(F)F)CC2)c(C)n1-c1ccccn1 800680668 QBISMMQBWRSYNM-UHFFFAOYSA-N 305.328 3.017 10 10 DGCE CCOc1ccc(CNC[C@@H](O)c2ccc(Cl)cc2)c(O)c1 813796710 DXPPPGNHUFDSJL-QGZVFWFLSA-N 321.804 3.268 10 10 DGCE CCOc1cccc(CN2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1O 824696313 KXJURFRMTFENJT-ZACQAIPSSA-N 319.445 3.306 10 10 DGCE Cc1cc(CN2CC(F)(F)C[C@H]2CO)ccc1N1CCCCC1 829092773 NRHDMPKRVTXSHR-INIZCTEOSA-N 324.415 3.187 10 10 DGCE c1cc(N2CCOCC2)ccc1CNCC[C@@H]1CC[C@H]2C[C@@H]12 922440609 SNHQPHGIWVQFTK-LNLFQRSKSA-N 300.446 3.049 10 10 DGCE CC[C@H](N[C@@H]1CCCc2c1ccc(=O)n2C)c1ccccc1O 846123676 UDCFAJPLLQQNJE-JKSUJKDBSA-N 312.413 3.209 10 10 DGCE COC[C@@H](CCN[C@@H](C)c1cccc(C(F)(F)F)c1O)OC 850485686 MNCKLVRUPSKNPN-WDEREUQCSA-N 321.339 3.113 10 10 DGCE Cc1ccc([C@@H](C)NC[C@H]2COc3ccccc3O2)c(O)c1C 756353462 ZQACBUGPNHCILA-CABCVRRESA-N 313.397 3.500 10 10 DGCE FC(F)(F)[C@@H]1CC[C@H](CNCc2ccc3c(c2)CCCO3)O1 922454137 BMSILUWDQYSCAC-HIFRSBDPSA-N 315.335 3.211 10 10 DGCE CC(=O)NCc1ccc(CN[C@H](C)c2cc(C)ccc2O)cc1 850485046 WNNPEGSTMHMERP-CQSZACIVSA-N 312.413 3.188 10 10 DGCE CN1CCCc2cc(CN[C@H](C3CC3)[C@H]3CCCOC3)ccc21 924869811 JDOGHXVXDVYPJS-AZUAARDMSA-N 314.473 3.364 10 10 DGCE CCOC(=O)C1=CC[C@H](N[C@@H](C)c2ccc(Cl)cc2O)C1 858508358 MYYYXYHXWLLBBS-GWCFXTLKSA-N 309.793 3.348 10 10 DGCE CN(CC1C[C@@H]2C[C@H]2C1)c1ccc(CN)cc1Br 697843526 FSZFNGMRBYVRKE-CHWSQXEVSA-N 309.251 3.390 10 10 DGCE CC(C)(C)OC(=O)N[C@H](c1cccc(N)c1O)C(F)(F)F 1953048873 IAXVGKXBPKYEPJ-SNVBAGLBSA-N 306.284 3.103 10 10 DGCE COC(=O)c1cnc(SC[C@H]2CCC(C)(C)CO2)s1 865369297 QLMRNRZNSFLBIP-SECBINFHSA-N 301.433 3.227 10 10 DGCE CC(C)(C)c1ccc(CNC(=O)NCc2ccccc2O)o1 869127627 CTSKXMAOWHSBHA-UHFFFAOYSA-N 302.374 3.282 10 10 DGCE CCN(CC)[C@H](C(=O)N1Cc2cccc(O)c2C1)c1ccccc1 871202254 BHWSYESQGGFXRL-IBGZPJMESA-N 324.424 3.318 10 10 DGCE Cc1cc(Cl)cc(CN(CCO)CCc2ccccc2)c1O 775696936 RHYJEDUVVNYOMB-UHFFFAOYSA-N 319.832 3.391 10 10 DGCE C[C@H]([C@H]1Cc2ccccc2O1)N(C)Cc1cc(F)ccc1O 779035397 ZJAZMWONOHSJQV-KZULUSFZSA-N 301.361 3.355 10 10 DGCE COc1cc(C)cc(CNCCSCCC(F)(F)F)c1O 895458756 RKNAHMXCMYFBOO-UHFFFAOYSA-N 323.380 3.484 10 10 DGCE Nc1ccc(Cc2nnc(Nc3c(F)cccc3F)o2)cc1 74384320 WIGBVCGRPNVBJX-UHFFFAOYSA-N 302.284 3.264 10 10 DGCE Cc1cccc(CN[C@H]2CN(Cc3ccccc3)C[C@H]2C)c1O 389792679 QYOLYXLEPBFDIA-APWZRJJASA-N 310.441 3.311 10 10 DGCE CO[C@H]1CCC[C@@H](NCc2ccc(N3CCSCC3)cc2)C1 792920759 BEIPPEOGCYKGRM-AEFFLSMTSA-N 320.502 3.287 10 10 DGCE CC1(C)CN(C(=O)c2cccc(O)c2O)CC[C@@H]1C(F)(F)F 791125551 GIZTXFVVDTWLGL-NSHDSACASA-N 317.307 3.148 10 10 DGCE C[C@H](NC[C@H](CO)Cc1ccc(F)c(F)c1)c1ccccc1O 790737615 NTIHRCKCZCIVIQ-GXTWGEPZSA-N 321.367 3.172 10 10 DGCE CC[C@H](C)n1ncc(C(=O)NCc2ccc(N(C)C)cc2)c1C 790200236 SBVCNGWHELUMSM-ZDUSSCGKSA-N 314.433 3.159 10 10 DGCE c1cc2c(cc1CNC[C@H]1CCC3(CCC3)CO1)CCCO2 1179593086 NEXKITPNBQMBMM-QGZVFWFLSA-N 301.430 3.451 10 10 DGCE Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCCOC1CCOCC1 1340134610 WWSAYRJYFZXSAD-DZGCQCFKSA-N 305.418 3.034 10 10 DGCE NCc1ccc2c(c1)CCN2Cc1snc(Cl)c1Cl 2133395749 SNHRPSUAXKVURA-UHFFFAOYSA-N 314.241 3.471 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(O)c1F 1442342508 LEQPIMIZHDDBIF-UHFFFAOYSA-N 316.376 3.260 10 10 DGCE COc1ccc(N(Cc2ccccc2)C(C)(C)CO)c(N)c1 1915758223 NUQDYCMZLCTXHF-UHFFFAOYSA-N 300.402 3.055 10 10 DGCE COC(=O)c1cc(OC[C@@H]2CCC3(CCC3)O2)ccc1N(C)C 1473077561 ZPMLNXCANOZFIN-AWEZNQCLSA-N 319.401 3.020 10 10 DGCE CCC[C@@H](C)C(=O)NC[C@@H](C)NCc1ccc(OC)c(C)c1 1480439695 UZEWKZREBHEFFK-UKRRQHHQSA-N 306.450 3.034 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2Cc3ccc(O)cc3C2)c1O 1620435164 PXTZFEASRIVGPC-UHFFFAOYSA-N 317.772 3.470 10 10 DGCE CCCn1c(C(=O)NCc2ccc(O)cc2O)cc2ccccc21 1557084859 QPTIVQDPEQVADR-UHFFFAOYSA-N 324.380 3.393 10 10 DGCE CCOc1nc(NCc2ccc(N(C)C)c(F)c2)ncc1Cl 1639364466 ZUPGTBARJSJFLA-UHFFFAOYSA-N 324.787 3.346 10 10 DGCE Cc1cc(NC(=O)c2cc3cc(O)c(O)cc3s2)sn1 1641563802 RXYNSIKUZDJCMY-UHFFFAOYSA-N 306.368 3.330 10 10 DGCE CCn1cccc1C(=O)NCc1ccc(N2CCCCC2)cc1 1643398464 RMPJSBHOEGPSAV-UHFFFAOYSA-N 311.429 3.428 10 10 DGCE O=C(c1cc(F)c(Cl)cc1F)N1Cc2cccc(O)c2C1 1644088361 QYXGNROJUFDGQQ-UHFFFAOYSA-N 309.699 3.480 10 10 DGCE CN(C)c1ccc([C@@H](CCC(=O)O)NC(=O)OC(C)(C)C)cc1 1927603025 LUGBMSRAJZCCME-CQSZACIVSA-N 322.405 3.183 10 10 DGCE Cc1cc(-c2nc(C(=O)N[C@H](C)c3ccccc3O)co2)ccn1 1587446940 CWKUXEKYXQUUMP-GFCCVEGCSA-N 323.352 3.242 10 10 DGCE Cc1n[nH]c(C(C)C)c1C(=O)NCCCSc1nccs1 157361293 MHRRZQQXWPORBX-UHFFFAOYSA-N 324.475 3.210 10 10 DGCE CC[C@H](C)N1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 1858587882 GKGMIVJKSGAXFK-PBJWJZLWSA-N 321.423 3.415 10 10 DGCE CCC1=NN(Cc2cccc(F)c2)C(=O)/C1=C/c1ccncc1 1865673574 MASJBVBHWYJSGV-LFIBNONCSA-N 309.344 3.413 10 10 DGCE Cc1ccc(O)c(CNCC(=O)Nc2ccc(F)c(Cl)c2)c1 1857857805 OYPMTUPIEAOUOW-UHFFFAOYSA-N 322.767 3.221 10 10 DGCE CN(CCCCCO)c1ccc(CNC(=O)OC(C)(C)C)cc1 1966447299 ZASRBBBOYBQNMY-UHFFFAOYSA-N 322.449 3.310 10 10 DGCE Cc1cccc(CN[C@H]2CN(Cc3ccccc3)C[C@@H]2C)c1O 155094964 QYOLYXLEPBFDIA-LPHOPBHVSA-N 310.441 3.311 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@]12C[C@H]2[C@@H](N)c1ccccc1O 1981391788 IHEREAOYHJMENM-WLLUSJSYSA-N 318.417 3.085 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCN(CCCN=[N+]=[N-])C1 1982245534 JAFOBXKFSXUUBR-ZIAGYGMSSA-N 323.441 3.408 10 10 DGCE CC(C)(C)OC(=O)N1CC([C@H]2CCN(CCCCN=[N+]=[N-])C2)C1 1982247083 CVZGNPQGSBSWIE-ZDUSSCGKSA-N 323.441 3.266 10 10 DGCE CNCc1ccc(N2CCC(C)(F)CC2)c(Br)c1 2034887894 FWKMZFZMTGANJI-UHFFFAOYSA-N 315.230 3.497 10 10 DGCE C[C@H]1CN(CCc2ccc(N)cc2)CCN(Cc2ccccc2)C1 323962633 UGFFUZJIDWQYJN-SFHVURJKSA-N 323.484 3.265 10 10 DGCE CCN[C@@H](CSc1nccs1)c1ccc2c(c1)OCO2 81889460 HNKPTROCNXNPBZ-NSHDSACASA-N 308.428 3.315 10 10 DGCE C[C@@H]1O[C@H](C)[C@H](NCc2cccc(Br)c2O)[C@H]1C 527804333 OMIAIDHWCNXVGA-QISWUMQESA-N 314.223 3.056 10 10 DGCE CC[C@H](NCc1cnoc1)c1cc(Br)ccc1O 718826668 LVALGIRSLMUFMB-LBPRGKRZSA-N 311.179 3.384 10 10 DGCE C[C@]1(O)C[C@H]2C[C@H]1C[C@@H]2NCc1cc(Cl)cc(Cl)c1O 2178198201 RADPVPUGBZBTTD-OMSPQPPYSA-N 316.228 3.338 10 10 DGCE CC[C@@H](NCc1cnco1)c1cc(Br)ccc1O 2043697488 NNLQMQOUJOGWIM-GFCCVEGCSA-N 311.179 3.384 10 10 DGCE C[C@H]1OCC[C@H]1CN(C)Cc1cccc(Br)c1O 2057467047 BAIHRTBJPFTIGI-MNOVXSKESA-N 314.223 3.012 10 10 DGCE Cc1ncoc1CN(C)c1ccc([C@H](C)N)c(Br)c1 2105600970 YZAKHOHQOZPYIN-VIFPVBQESA-N 324.222 3.402 10 10 DGCE OCc1ccc(N2CCC[C@@H]2C(F)(F)F)c(Br)c1 2083838645 CMLVNFYQZLVROS-LLVKDONJSA-N 324.140 3.473 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)c1cc(Cl)cnc1Cl 2228452917 WXXXHMIRZDNFOF-MRVPVSSYSA-N 300.149 3.303 10 10 DGCE O=C1C(=Cc2cccc(F)c2)SC(=S)N1Cc1ccon1 2300341964 XAYXXDQNGYZHHB-UHFFFAOYSA-N 320.370 3.215 10 10 DGCE CCOC(=O)NC(=O)C(N=Nc1cc(C)cc(C)c1)=C(C)O 2333119658 YEGABEVZPGFACP-UHFFFAOYSA-N 305.334 3.449 10 10 DGCE Cc1ccc(CN2CCCO[C@H](C)C2)c(O)c1Br 2327567462 JXBZLASUODWTSS-LLVKDONJSA-N 314.223 3.074 10 10 DGCE Cc1ccc(CN(C)c2ccnc(O)c2)c(O)c1Br 2352658922 VSUNBTKPPHNISU-UHFFFAOYSA-N 323.190 3.200 10 10 DGCE COC(=O)c1ccc(/C=C2/C=C(c3ccccc3)OC2=O)cc1 59426032 HZGDJFHCOVFXCI-WJDWOHSUSA-N 306.317 3.455 10 10 DGCE CN(CCC(=O)Nc1ccc(F)c(F)c1)Cc1ccccc1O 171926082 ZXBVKLPOPLFCLR-UHFFFAOYSA-N 320.339 3.131 10 10 DGCE CCN[C@H]1C(=O)Nc2cc(N3CCC[C@H](C)C3)c(Cl)cc21 118704761 AQCUHQOQLMEHFR-ZUZCIYMTSA-N 307.825 3.179 10 10 DGCE Cc1ccc([C@@H](C)N[C@@H]2CCc3nnc(C(C)C)n3C2)c(O)c1 186293826 KQYRFGMAHBVWCZ-ZIAGYGMSSA-N 314.433 3.081 10 10 DGCE CCc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c(C)n1 186133524 JEHKBLFXMYPVHW-UHFFFAOYSA-N 311.429 3.291 10 10 DGCE CCOCCN(CCOCC)c1ccc([C@@H](C)N)cc1Cl 123194518 NMWCTGZFLOXOAV-CYBMUJFWSA-N 314.857 3.239 10 10 DGCE CN(C)c1ccc2c(c1)[C@@H](CN)N(c1cccc(Cl)c1)C2 71683302 SFMGDVNNQXSJEV-QGZVFWFLSA-N 301.821 3.426 10 10 DGCE CC(C)c1noc(CCN[C@H](C)c2ccc(F)c(F)c2O)n1 187779411 YXCCXRGKRXXBSP-SECBINFHSA-N 311.332 3.070 10 10 DGCE CN(CC(=O)c1ccc(O)c(O)c1)Cc1ccc(Cl)cc1 48014501 MGRBBDWIEIJQFA-UHFFFAOYSA-N 305.761 3.066 10 10 DGCE CN[C@H]1C(=O)Nc2cc(N(C)Cc3ccccc3)c(Cl)cc21 380899594 NZEWXPHYMSBDLC-MRXNPFEDSA-N 315.804 3.189 10 10 DGCE C[C@@H](NCc1ncc(C(F)F)s1)c1ccc(O)cc1O 2369606780 ZHMDIBKKBHUBKE-SSDOTTSWSA-N 300.330 3.343 10 10 DGCE CCCN(Cc1ccccc1O)Cc1cnc2nc(C)cc(C)n12 92705004 NXXDVVIWOXCEPX-UHFFFAOYSA-N 324.428 3.464 10 10 DGCE Oc1ccc(Cl)cc1CN1CCC2(C1)Oc1ccccc1O2 809789743 CBCNTPHLBJQBIQ-UHFFFAOYSA-N 317.772 3.419 10 10 DGCE Cc1ccsc1[C@@H](CO)NCc1cc(Cl)c(F)cc1O 816555099 UFGNNMNTRZAIBL-GFCCVEGCSA-N 315.797 3.378 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)NC[C@]1(C)CC1(F)F 822424010 OMRCRABHXTYPEW-HNNXBMFYSA-N 312.360 3.359 10 10 DGCE COc1cc(Cl)cc(CN2CCC(c3ccon3)CC2)c1O 827630185 UTWWZIPOWPKIEU-UHFFFAOYSA-N 322.792 3.422 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCC(CCCO)CC2)cc1 835048561 VGANZZOWDFILQZ-HYXAFXHYSA-N 302.462 3.250 10 10 DGCE COC[C@@H](NC/C=C/c1ccc(N(C)C)cc1)c1ccco1 835043597 SOOMPSADASYBSF-UKINESCASA-N 300.402 3.336 10 10 DGCE CCc1cccc(CN2CCO[C@H](c3cccc(O)c3)C2)c1O 848887552 YWQOQLPREDBNJW-SFHVURJKSA-N 313.397 3.234 10 10 DGCE CN(C)c1ccc([C@@H]2CC(=O)CN2C(=O)OC(C)(C)C)cc1 1951881083 VQOCBGIKTPBLIP-HNNXBMFYSA-N 304.390 3.004 10 10 DGCE COc1cccc(CNC(=O)[C@H]2CCCC[C@@H]2C2CC2)c1O 843831891 SIQVVXZESQWRLB-CABCVRRESA-N 303.402 3.233 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC1(C)C 840409202 CZHNFPKRRLGFRK-INIZCTEOSA-N 303.450 3.471 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCC([C@H]3CCCN3)CC2)cc1 843043652 ATECCGBFYCKNLD-DPZZJQGRSA-N 313.489 3.230 10 10 DGCE COc1cc(O)c(CN2CCC[C@H](C3CCC3)C2)cc1OC 853588564 GWAJRHNNMXQQBT-AWEZNQCLSA-N 305.418 3.422 10 10 DGCE OC1CCN(c2ccc(CN[C@@H]3CCCC34CC4)cc2F)CC1 850427159 ODTVSWVNZUOHBQ-GOSISDBHSA-N 318.436 3.209 10 10 DGCE C[C@H](NC(=O)N[C@@H]1C[C@H]1Cc1ccccc1)c1ccccc1O 868309322 UBJPAHOYOYCGHS-YSVLISHTSA-N 310.397 3.384 10 10 DGCE CCOC(=O)CN(Cc1ccccc1O)C[C@@]1(C)CCCS1 862397954 RLTOYKOFQZGSCA-QGZVFWFLSA-N 323.458 3.043 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2C[C@@H](C)[C@@H]2C)cc1 861836288 FKUUGJKUECSECB-HIFRSBDPSA-N 324.424 3.316 10 10 DGCE CC[C@H](N[C@H]1CCN(c2ccc(OC)cc2)C1)[C@@H]1CCCOC1 872083642 CTPWDODFAMABKL-GJYPPUQNSA-N 318.461 3.069 10 10 DGCE C[C@H](N)c1ccc(N2CCC[C@H](F)C2)cc1Br 689389660 XHQYYRKRVLJAFK-UWVGGRQHSA-N 301.203 3.407 10 10 DGCE C[C@@H](OCc1ccccc1)C(=O)NCc1cccc(Cl)c1O 1159034081 QXGRBDUQJORBLO-GFCCVEGCSA-N 319.788 3.267 10 10 DGCE CC(C)(C)OC(=O)NCC12CC(CCN1CCCCN=[N+]=[N-])C2 1901761346 HFLSSLLLDHPEFV-UHFFFAOYSA-N 323.441 3.456 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@@H](OC)C2CCCC2)cc1 1355015440 NICWRIRZBGKPPG-SFHVURJKSA-N 318.461 3.354 10 10 DGCE O=C(O)C=Cc1ccc(N2CC[C@@H]3C[C@@H]3C2)c(Br)c1 1912037476 IDCKPLFFUUCXAD-VXGBXAGGSA-N 322.202 3.393 10 10 DGCE [N-]=[N+]=NC1CCN(C(=O)c2cscc2Br)CC1 1912177551 FYIAKQKWEWPIEA-UHFFFAOYSA-N 315.196 3.426 10 10 DGCE [N-]=[N+]=N[C@@H]1CCN(C(=O)Nc2cccc(Br)c2)C1 1912145502 HZUNKCQGWFFQOW-SNVBAGLBSA-N 310.155 3.366 10 10 DGCE C[C@@H](NC(=O)COc1ccc(F)c(Cl)c1)c1ccccc1O 1454806738 MWDIURPKCHIGFV-SNVBAGLBSA-N 323.751 3.441 10 10 DGCE Cc1cccc2sc(NC(=O)Cc3ccc(O)c(O)c3)nc12 1290284412 NSVFBSWTZGILQG-UHFFFAOYSA-N 314.366 3.197 10 10 DGCE C[C@](Cc1ccccc1)(NC(=O)c1cccc(O)c1O)C1CC1 1469072505 FQLGTJILYYQBOT-LJQANCHMSA-N 311.381 3.239 10 10 DGCE C[C@@H](NC(=O)Cc1nc(C2CC2)cs1)c1ccccc1O 1557967650 IOEVJLRXNUSYAR-SNVBAGLBSA-N 302.399 3.146 10 10 DGCE O=C(NCc1ccc(O)cc1O)c1ccc(C(F)(F)F)s1 1630301652 FSWAJCIFYKUXNO-UHFFFAOYSA-N 317.288 3.108 10 10 DGCE CCOc1cc(NCc2cc(O)ccc2O)ccc1[N+](=O)[O-] 1640355307 WJHVHDQSNQIMPI-UHFFFAOYSA-N 304.302 3.017 10 10 DGCE Cc1ccc(C(=O)N2CCC[C@@H](C3CCCC3)C2)c(O)c1O 1640658623 IOAREEJEYFRHCV-CQSZACIVSA-N 303.402 3.449 10 10 DGCE COc1ccc(CN[C@@H](C)[C@H](C)NC(=O)CCC(C)C)cc1C 1570586912 FCUHNRGFTHIUHV-HOTGVXAUSA-N 320.477 3.423 10 10 DGCE CC(C)(C)OC(=O)N[C@H](C1CCC1)[C@H](N)c1ccccc1O 1928479879 ANQQQZQCLLTEML-HUUCEWRRSA-N 306.406 3.085 10 10 DGCE CCN(C)c1ccc(CN2CCN(c3ccncc3)C[C@H]2C)cc1 1654837237 AXQZAZZUWANPMP-QGZVFWFLSA-N 324.472 3.248 10 10 DGCE CCOC(=O)CCN(C)/N=N/c1ccc(N2CCCC2)cc1 1860485604 QQSVXKOPIWJBSI-ISLYRVAYSA-N 304.394 3.171 10 10 DGCE COc1cccc2c1C(=O)c1ccc3c(c1C2=O)[C@@H](O)C[C@@H](C)C3 6066776 GCPUVEMWOWMALU-HZMBPMFUSA-N 322.360 3.086 10 10 DGCE biogenic,in-vitro Nc1ccc(OCCCN2C[C@@H](c3ccccc3)OC2=O)cc1 585886297 KCTSVMNMIYDLSQ-KRWDZBQOSA-N 312.369 3.231 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CCN(CCCN=[N+]=[N-])C(C)(C)C1 1962302565 AEBIXOBHQHWJIU-LBPRGKRZSA-N 311.430 3.455 10 10 DGCE COC(=O)[C@@H]1CCC[C@H]1NCc1ccc(N2CCCCC2)cc1 1321865801 ABQBGYKHNXUXOG-QZTJIDSGSA-N 316.445 3.108 10 10 DGCE Cc1cc(Br)c(C(=O)NCCCN=[N+]=[N-])s1 1963705160 ZUEAMLMNQPBBRE-UHFFFAOYSA-N 303.185 3.249 10 10 DGCE N[C@@]1(c2ccc(N3CCCC3)cc2)CCN(Cc2ccccc2)C1 1999523956 SXHXJSIDJOIYDM-NRFANRHFSA-N 321.468 3.347 10 10 DGCE C[C@H](N)c1ccc(N2C[C@H]3C[C@H]2[C@@H]2C[C@@H]32)cc1Br 2041533874 UTWDGEGATVKERC-AHORFVQGSA-N 307.235 3.313 10 10 DGCE NCc1ccc(N2CCC=C(Br)C2)c(Cl)c1 404453321 DPGVZEWHVAOWMR-UHFFFAOYSA-N 301.615 3.288 10 10 DGCE CN(C)c1ccc([C@H](O)c2sncc2Br)cc1 712250195 RWDDNKSAPWKESX-NSHDSACASA-N 313.220 3.053 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNCCCN1CC=CC1 392757993 CWJQQBYMPZJLRQ-UHFFFAOYSA-N 301.217 3.051 10 10 DGCE CCC[C@H]1C[C@@H](NCc2c(O)cccc2Br)CO1 2065789728 DDWAZZAGFFTAAN-MNOVXSKESA-N 314.223 3.202 10 10 DGCE Oc1cccc(Br)c1CNC[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2 2070860114 ASYLRIVCRNCNPG-XKJBLICVSA-N 308.219 3.146 10 10 DGCE CC1=C(Br)CCN(c2ccc([C@@H](C)N)c(O)c2)C1 2077209270 YHCLBUKRUGGURB-SNVBAGLBSA-N 311.223 3.291 10 10 DGCE COc1ccc(Br)c(CN[C@H](C)[C@H]2C[C@H]2C)c1O 2220462538 MUWJWHHOCBBWLB-BBBLOLIVSA-N 314.223 3.297 10 10 DGCE CN[C@@H]1CCN(c2ccc(OC)cc2Br)[C@H](C)C1 2221628692 VPYFVWXPRXURCM-GHMZBOCLSA-N 313.239 3.034 10 10 DGCE C[C@H](NC[C@H]1CC[C@H]1NC(=O)OC(C)(C)C)c1ccccc1O 2244704099 MVMJQETTZHHVIF-GZBFAFLISA-N 320.433 3.346 10 10 DGCE NCc1ccc(N2C[C@H]3[C@@H](C[C@H]3C(F)(F)F)C2)c(Cl)c1 2281172215 DMIDZWBXYFFRBM-GARJFASQSA-N 304.743 3.433 10 10 DGCE CN(Cc1ccccc1)C1CN(c2ccc(CN)c(C3CC3)c2)C1 2301284361 BFWOZKKPMFHKTE-UHFFFAOYSA-N 321.468 3.343 10 10 DGCE Cc1ccc(CNCC2=CCSC2)c(O)c1Br 2307568116 ALFIUJUTUMNDQA-UHFFFAOYSA-N 314.248 3.226 10 10 DGCE C[C@H](N)c1ccc(N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)c(Br)c1 2308718536 CTWIJFZGOBJDKG-WJYQBBMDSA-N 307.235 3.313 10 10 DGCE O=C(O)C1CCN(N=Nc2cccc(Br)c2)CC1 2330185133 LAIUNTQLKDCRJM-UHFFFAOYSA-N 312.167 3.244 10 10 DGCE Cc1ccc(CN2C[C@H](C)[C@@H](C)C2=O)c(O)c1Br 2327609358 ZFHADDSQEKOTJR-VHSXEESVSA-N 312.207 3.078 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)n1 2335599413 VTZIEMWGIAEVMK-MRVPVSSYSA-N 300.149 3.303 10 10 DGCE C[C@H](N)c1ccc(N2Cc3cccnc3C2)c(Br)c1 2336978221 UJLXABRBHQGWAZ-JTQLQIEISA-N 318.218 3.384 10 10 DGCE CCc1ccc(CN2CCN(c3ccc(N)cc3)C2=O)s1 54404994 IIRLPJXDXNPXHA-UHFFFAOYSA-N 301.415 3.335 10 10 DGCE Cc1ccccc1-n1c(C)cc(C(=O)NCC2(C)COC2)c1C 112693703 MESGROFSEUDAPA-UHFFFAOYSA-N 312.413 3.169 10 10 DGCE C[C@@H]1CN(c2ccc([C@@H](C)N)cc2Br)CCCO1 61919139 FAOBJZAUXAEDLH-GHMZBOCLSA-N 313.239 3.084 10 10 DGCE Cc1cc(C(=O)N2CCOC(C)(C)C2)c(C)n1-c1ccccc1 27644859 IJSPTRNKXABOSO-UHFFFAOYSA-N 312.413 3.345 10 10 DGCE COCCn1cc(N[C@H](C)c2cc3c(cc2O)CCCC3)cn1 186333904 PKCNYAFLAQAKJK-CYBMUJFWSA-N 315.417 3.287 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CCO[C@@H]3CCCC[C@@H]32)c1O 120824869 UADBKVNAUDJEMW-JKSUJKDBSA-N 323.820 3.392 10 10 DGCE Oc1ccc(Cl)cc1CNc1cccc(-n2cnnc2)c1 36991138 ROERCOOGBURWBT-UHFFFAOYSA-N 300.749 3.238 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2C(=O)C1CCC(F)(F)CC1 136843620 OXWRHQLQWRWPTH-UHFFFAOYSA-N 324.371 3.304 10 10 DGCE O=C(c1ccccc1SC[C@H]1CCCO1)N1CCSCC1 49213937 OOYULOLGLDXWEO-CYBMUJFWSA-N 323.483 3.147 10 10 DGCE CSc1ncc(CN[C@]2(C(=O)O)C[C@H](C)CC[C@H]2C)s1 2371804395 LMEOPPPVZVXVFX-GPCCPHFNSA-N 314.476 3.234 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@H](C)O[C@H](C)C2)cc1 246124741 KNRDNAKMLAIJDM-SCAQPMJSSA-N 318.461 3.353 10 10 DGCE CC1CCN(c2ccc(CN[C@H]3CCN(C)[C@@H](C)C3)cc2)CC1 248125084 NUGQZINKDMDWMR-HKUYNNGSSA-N 315.505 3.495 10 10 DGCE Cc1ccc(O)c([C@H](C)NC[C@H](n2cccn2)C(F)(F)F)c1 527941151 XPACMWZVYBNEMK-FZMZJTMJSA-N 313.323 3.351 10 10 DGCE COc1ncccc1CCN[C@H](C)c1c(C)cc(C)cc1O 294290348 MRUDWZLWKRWROO-CQSZACIVSA-N 300.402 3.306 10 10 DGCE Cc1cc(Cl)cc(CN[C@H]2CNc3ccccc3C2)c1O 844907378 IYABFLNZWLWOMH-OAHLLOKOSA-N 302.805 3.480 10 10 DGCE C[C@@H](NCc1ccc2c(c1)CCO2)c1ccnn1CC1CCC1 924901655 SQQFMNUJNAKQHT-CQSZACIVSA-N 311.429 3.469 10 10 DGCE CN(C)c1ccc(CNC(=O)N[C@H]2CC23CCCC3)cc1F 758545622 OGLXBBZRTHVOED-HNNXBMFYSA-N 305.397 3.024 10 10 DGCE CC(C)[C@H]1COCC[C@@H]1NCc1ccc2c(c1)CCCN2C 924871433 NEUHAMPXZLVLQI-MSOLQXFVSA-N 302.462 3.220 10 10 DGCE C[C@H](NCc1ccc2c(c1)CCCN2C)c1cn2c(n1)CCCC2 924869545 HNPZQIPHYZMVRZ-HNNXBMFYSA-N 324.472 3.453 10 10 DGCE COc1ccccc1[C@H](O)CN[C@@H](C)c1cc(F)cc(F)c1O 756459501 NWJIRRQZJCSGHS-ZUZCIYMTSA-N 323.339 3.063 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](COc3ccc(N)cc3)[C@@H]2C1 1897319759 CQZGJWPYOKYIMP-WOSRLPQWSA-N 318.417 3.151 10 10 DGCE O=C(NCc1cccc(Cl)c1O)Nc1cnc(C2CC2)nc1 930201452 DVHNKBXVGIOFGO-UHFFFAOYSA-N 318.764 3.035 10 10 DGCE Cc1cncc(/C=C/C(=O)N2CCc3cc(F)c(F)cc32)c1 772062701 ZVBFGJHFECIFME-NSCUHMNNSA-N 300.308 3.271 10 10 DGCE Cc1ncccc1/C=C\C(=O)N1CCN(C)c2ccc(F)cc21 1126643000 ODTOOYXAKUKNGL-YVMONPNESA-N 311.360 3.025 10 10 DGCE Cc1cc(NCc2cc([N+](=O)[O-])ccc2O)nn1[C@@H](C)C1CC1 784613176 TWGXKEKHGKMPJO-NSHDSACASA-N 316.361 3.388 10 10 DGCE CSC[C@H](C)CNCc1ccc(Br)cc1O 700996241 XOEPVIBDOQFKSR-SECBINFHSA-N 304.253 3.243 10 10 DGCE CO[C@H]1CCCC[C@@H]1NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 799383729 SNZOQXRBNXQXBL-COXVUDFISA-N 319.449 3.070 10 10 DGCE Cc1ccc(C(=O)N2CC[C@H]2c2ccc(F)cc2)c(O)c1O 1146530756 UBAMZQIRAXDPKM-AWEZNQCLSA-N 301.317 3.133 10 10 DGCE Oc1ccc(CNc2c(Cl)ccc3nsnc23)c(O)c1 88119261 IFRFZKMQUUZMTD-UHFFFAOYSA-N 307.762 3.368 10 10 DGCE CC[C@@H]1CN(c2ccc(OC(F)(F)F)cc2Cl)CCN1 699651959 KTFFMXJEGZKIMZ-SECBINFHSA-N 308.731 3.427 10 10 DGCE CCc1cccc(CNCc2ccc(Br)cc2O)n1 2121958727 HTGGJOYOPGJGOW-UHFFFAOYSA-N 321.218 3.402 10 10 DGCE CC(C)[C@H]1CCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 1323332312 YEJGNLAYCHLJSB-KRWDZBQOSA-N 319.468 3.055 10 10 DGCE Cc1ncccc1/C=C\C(=O)N1C[C@@H](C)Oc2cc(F)ccc21 1523588046 VGMREMYJIHRYBB-VVEJJEBESA-N 312.344 3.356 10 10 DGCE COc1cccc(CNC(=O)c2cccc3cc(O)ccc23)c1O 1630366858 YIMOCEUMIAZWJK-UHFFFAOYSA-N 323.348 3.190 10 10 DGCE COC(=O)c1cnc(Sc2sccc2[N+](=O)[O-])s1 1642725526 RYGQDHACMASNBO-UHFFFAOYSA-N 302.358 3.051 10 10 DGCE COc1ccc(NC(=O)Cc2ccc(O)c(O)c2)c2ccccc12 1648403800 YCXMGMDMSFLNBB-UHFFFAOYSA-N 323.348 3.441 10 10 DGCE CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)NCc1ccccc1O 1927901999 TZLDLUCKKXNJNK-TZMCWYRMSA-N 308.422 3.174 10 10 DGCE CC/C=C(/C)C(=O)N[C@@H](C)CCNCc1ccc(OC)c(C)c1 1667994573 UOOFZFHEBPXNAK-VFXTVZEFSA-N 318.461 3.344 10 10 DGCE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN(c2ccc(N)cc2)C1 1959573971 ZYFXDDZHIIVLKQ-OCCSQVGLSA-N 305.422 3.008 10 10 DGCE O=C(O)c1ccc(O)c(N=c2[nH]nc(C3CCCCC3)s2)c1 1859858041 XHBBACGZPHPHLV-UHFFFAOYSA-N 319.386 3.155 10 10 DGCE CC(C)CN1N=C(C(F)(F)F)/C(=C/c2ccc(O)cc2)C1=O 1865659039 ZBAPTUCHUWRSSC-GHXNOFRVSA-N 312.291 3.192 10 10 DGCE C[C@@H](N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1ccc(F)cc1O 1938282006 PIWVVZORGCIOSK-RTXFEEFZSA-N 324.396 3.238 10 10 DGCE COC(=O)c1cccc2c1CCN(Cc1ccc(N(C)C)cc1)C2 1203937579 YGFKLYJDMMJOQM-UHFFFAOYSA-N 324.424 3.098 10 10 DGCE CC(C)(C)OC(=O)N[C@@]1(C)CCC[C@H]1[C@@H](N)c1ccccc1O 1937382433 YVKHZSSDKBGYDL-YEWWUXTCSA-N 320.433 3.476 10 10 DGCE C[C@H]1CC[C@@H](C(=O)O)N(Cc2cc(Cl)cc(Cl)c2O)C1 1964726631 NROWTQHXZQTVDM-UFBFGSQYSA-N 318.200 3.384 10 10 DGCE Oc1c(F)cc(Br)cc1CN1CC[C@@H](CCF)C1 1969936289 KKGKBRRXQVVPRE-SECBINFHSA-N 320.177 3.475 10 10 DGCE C[C@H]1[C@H](C)N(C(=O)OC(C)(C)C)CCN1Cc1ccc(N)cc1 1977892823 HZCNVSFNFAAYMR-KBPBESRZSA-N 319.449 3.099 10 10 DGCE CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H](O)c1ccc(N(C)C)cc1 1977939496 QKUXOWGXEDDZFW-CJNGLKHVSA-N 322.449 3.432 10 10 DGCE C[Si]1(C)CCN(c2ccc(CN)cc2Br)CC1 2012635878 CQFMUDHSWVXOHO-UHFFFAOYSA-N 313.315 3.436 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)c2ccc(Br)o2)CC1 2038002808 PSDMHLBASUVUFI-MRVPVSSYSA-N 313.155 3.347 10 10 DGCE C[C@H](N)c1ccc(N2CC[S@](=O)C(C)(C)CC2)cc1Cl 321550961 ANNZSTIFJHURLH-YBTHPKLGSA-N 314.882 3.097 10 10 DGCE C[C@@H]1O[C@H](C)[C@H](NCc2cc(Br)ccc2O)[C@@H]1C 527805148 UIDKIXOQLDXLQB-QOBXEIRBSA-N 314.223 3.056 10 10 DGCE CCOC(=O)c1cnc(Sc2nc3cnccc3s2)s1 702959894 SATDSAMIHQKDGO-UHFFFAOYSA-N 323.424 3.476 10 10 DGCE Oc1c(Br)cccc1CN1CC[C@H](C(F)F)C1 707161320 WHMXDSWRFJGOAB-VIFPVBQESA-N 306.150 3.242 10 10 DGCE C[C@H]1CCN(Cc2cccc(Br)c2O)C[C@@H](C)O1 694872077 SDXURZIWWVKYMN-WDEREUQCSA-N 314.223 3.154 10 10 DGCE CC(C)Cc1cc(C(=O)O)n([C@H](C)c2c(O)cccc2F)n1 2069882419 QBIIRGCXZRMTTA-SNVBAGLBSA-N 306.337 3.234 10 10 DGCE COC(=O)c1cc(C(C)C)nn1Cc1c(O)cccc1Cl 2069952669 DPUYCEJMUAGPCQ-UHFFFAOYSA-N 308.765 3.200 10 10 DGCE COC(=O)c1cc(CC(C)C)nn1[C@@H](C)c1cc(C)ccc1O 2070002906 FVTUIJLNWDQHBS-ZDUSSCGKSA-N 316.401 3.492 10 10 DGCE Cc1cc(Br)n(Cc2ccc(Cl)cc2O)n1 2070168582 FYBAVXYOZUHCKZ-UHFFFAOYSA-N 301.571 3.361 10 10 DGCE CC(F)(F)[C@H]1CCN(c2ccc(CN)cc2Br)C1 2042056384 KSXUKHJRUPEUJZ-JTQLQIEISA-N 319.193 3.389 10 10 DGCE CC(C)c1nc([C@@H](O)Cc2ccc(N)cc2)c(Br)[nH]1 2087591643 WSGPEDJFQKGESA-NSHDSACASA-N 324.222 3.154 10 10 DGCE COC(=O)[C@@H](NCCCN=[N+]=[N-])c1cc(C)c(Cl)s1 2109073739 VQLNLSZWESONPV-VIFPVBQESA-N 302.787 3.214 10 10 DGCE O=C(O)CC[C@H]1CCN1Cc1cc(Cl)cc(Cl)c1O 2109430415 WYRCCFSSFCHKGF-JTQLQIEISA-N 304.173 3.138 10 10 DGCE C[C@H](c1ccc(Cl)cc1O)N1CCO[C@H](C(F)F)CC1 2203345214 DDQFQRYFQKIYEF-RNCFNFMXSA-N 305.752 3.463 10 10 DGCE C[C@H](NCc1ccc(N)cc1)[C@H]1CCCN1C(=O)OC(C)(C)C 2244473578 HRHRPRUVNPWWCL-XJKSGUPXSA-N 319.449 3.146 10 10 DGCE COC[C@H](CN(C)[C@H](C)c1cc(Cl)c(C)cc1O)OC 2286442542 HYJQLCALPHWFFE-NEPJUHHUSA-N 301.814 3.008 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)NCCc1ccc(Cl)s1 2307986180 DSJGMDHSYPHYNS-UHFFFAOYSA-N 323.801 3.185 10 10 DGCE Cc1ncsc1C=CC(=O)N1C[C@@H](C)Oc2c(F)cccc21 2310110062 VEXFEFIYSDJMRN-SNVBAGLBSA-N 318.373 3.418 10 10 DGCE Cc1ccc(CN2CC[C@@H](CF)C2)c(O)c1Br 2307568132 AUCGVWQFHXDRPF-JTQLQIEISA-N 302.187 3.255 10 10 DGCE CN(Cc1ccccc1O)C(=O)Nc1ccc(-c2ncon2)cc1 171182400 ZCOHRWLGKOKRLD-UHFFFAOYSA-N 324.340 3.106 10 10 DGCE Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccncc1 119898459 QSNYETPDJMREBG-UHFFFAOYSA-N 324.409 3.213 10 10 DGCE C[C@H](Nc1cncc(Br)c1)c1c(O)cccc1O 305943220 GFTGKKASQUPXDW-QMMMGPOBSA-N 309.163 3.428 10 10 DGCE CC(=C/c1ccccc1)/C=C1\SC(=S)N(CCCO)C1=O 210385875 JCBSDSOBXTUOPL-CIRQKMMASA-N 319.451 3.217 10 10 DGCE C[C@H]1CCN(C(=O)c2cccc(O)c2O)[C@H]1c1cccc(F)c1 185785032 CAAUELNAGVXHRO-MEDUHNTESA-N 315.344 3.460 10 10 DGCE CCc1nsc(SCCCC(=O)Nc2ccc(N)cc2)n1 130870340 WVBOYKYBDJGAAN-UHFFFAOYSA-N 322.459 3.194 10 10 DGCE Cc1cc(C)c(O)c(CN2CCn3c(C(C)C)nnc3[C@@H]2C)c1 190226650 HWGMAGDSWPHKQI-AWEZNQCLSA-N 314.433 3.301 10 10 DGCE Nc1ccc(CCNC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)cc1 237942842 MHPZCRKXEKVXGF-DLBZAZTESA-N 314.816 3.385 10 10 DGCE O=C1NC(=S)S/C1=C/c1cccc(OCC(F)(F)F)c1 255867357 JSJMWNRMRPSQHG-WEVVVXLNSA-N 319.329 3.117 10 10 DGCE CC(C)(C)/C=C/C(=O)NCc1cccc(Br)c1O 277562758 PNCCRYNZMKKVLW-BQYQJAHWSA-N 312.207 3.373 10 10 DGCE CCCCCC(=O)NC1CCN(Cc2cc(C)ccc2O)CC1 271145008 CCFICPSHYJCRLB-UHFFFAOYSA-N 318.461 3.362 10 10 DGCE CN(Cc1ccc2c(c1)CCN2Cc1ccccc1)[C@@H]1CCOC1 809566841 UBKUFPSSXUPYPS-HXUWFJFHSA-N 322.452 3.470 10 10 DGCE COc1ccc(N2CCN(C(=O)c3ccsc3C)CC2)cc1 294286404 HSBJBBSANGVKDC-UHFFFAOYSA-N 316.426 3.028 10 10 DGCE COc1cccc(CNCc2cnc(-c3ccccc3)[nH]2)c1O 809739485 MHQVDMIMFONFSM-UHFFFAOYSA-N 309.369 3.081 10 10 DGCE CN(Cc1cccc(Cl)c1O)C[C@H]1COCCC1(F)F 2166667258 RHWZDPKSTAOXMR-NSHDSACASA-N 305.752 3.149 10 10 DGCE CN1C[C@@H]2CCN(Cc3cc(-c4ccccc4)ccc3O)[C@@H]2C1 814172900 CUFPUAUJNNVWDJ-PKOBYXMFSA-N 308.425 3.195 10 10 DGCE COCCN(CCF)Cc1ccc(N(C)C)cc1C(F)(F)F 827049608 ZBGCPCSQHWYLNO-UHFFFAOYSA-N 322.346 3.189 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)[C@@H](OC)C1CCCC1 830141118 NDOMOWTUFROEMU-KRWDZBQOSA-N 305.418 3.336 10 10 DGCE CCN1CCC[C@H](CNC/C=C\c2ccc(N(C)C)cc2)C1 835035245 FADIEOGVTHEURB-LZCIBIBXSA-N 301.478 3.087 10 10 DGCE CC[C@H](NCc1cc(F)cc(C(C)=O)c1O)[C@H]1CCCCO1 847074713 BTWLJOFSPHMYDR-JKSUJKDBSA-N 309.381 3.171 10 10 DGCE C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1C[C@H]1C1CC1 858100470 HULVREKQKSYOEZ-COXVUDFISA-N 318.436 3.187 10 10 DGCE CCN(C)c1ccc(CN2CC[C@H](C(=O)O)[C@@H]3CCC[C@H]32)cc1 863475144 IOFDCINZYWSQNN-OKZBNKHCSA-N 316.445 3.218 10 10 DGCE CC1C[C@@H]2CC[C@H](C1)N2Cc1ccc(N2CCOCC2)cc1 931064974 CUFNBVIDQMZFRR-QNBRMCRTSA-N 300.446 3.286 10 10 DGCE Cc1cc(O)c(CN2CCO[C@H](C(F)F)CC2)c(Cl)c1 872253561 CNSJZYIMHKURFU-ZDUSSCGKSA-N 305.752 3.210 10 10 DGCE Cc1cccc(CN[C@@H](C)c2cn(-c3ccccc3)nn2)c1O 776234561 SAZMQSUGSWZLPZ-AWEZNQCLSA-N 308.385 3.132 10 10 DGCE C[C@@H]1CC[C@]2(CCN(C(=O)NCc3ccc(N(C)C)cc3)C2)C1 781610059 QYJSXZALQUSLOG-BEFAXECRSA-N 315.461 3.474 10 10 DGCE COc1ccc(N2CC[C@H](CNC3CCCCC3)C2)c(OC)c1 76375706 ISGKIBFIDYLURB-OAHLLOKOSA-N 318.461 3.452 10 10 DGCE Oc1ccc(F)cc1CNCc1cnn(Cc2ccccc2)c1 390451514 XHJSEYMFQNUQHN-UHFFFAOYSA-N 311.360 3.066 10 10 DGCE C[C@@H](C1CC1)N(C)c1cc(Br)c(CN)cc1F 393842692 ACAQBCKOMOYBGH-QMMMGPOBSA-N 301.203 3.282 10 10 DGCE Nc1ccc(OCCSc2nc3cnccc3s2)cc1 705792855 FSVVFSMBACTTBJ-UHFFFAOYSA-N 303.412 3.445 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2cnc(-c3ccccc3)nc2)c1 1147956259 BFRMWLWWZFDXLU-UHFFFAOYSA-N 319.364 3.088 10 10 DGCE COc1ccc(N=Nc2ccc(S(=O)(=O)O)cc2)c(OC)c1 1088726980 CGTQLZMBNRYPFX-UHFFFAOYSA-N 322.342 3.366 10 10 DGCE C[C@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1)c1ccccc1O 1151892563 SMXWVZFSBBIABL-NWDGAFQWSA-N 303.333 3.176 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)Nc1ncccc1Br 1163031016 LRNWSGGZKGDVDV-VIFPVBQESA-N 323.190 3.298 10 10 DGCE CCOc1ccc(N(CCNC(=O)NC(C)C)CC2CC2)cc1 1175371189 CQZFYMIQPFOZIC-UHFFFAOYSA-N 319.449 3.009 10 10 DGCE COc1ccc(CNC[C@H](C)CNC(=O)C2(C)CCC2)cc1C 1319225380 OVBDQLOXKZKIKA-AWEZNQCLSA-N 318.461 3.036 10 10 DGCE CO[C@@H](CSc1ncc(-c2ccccc2)n1C)[C@@H]1CCOC1 1327518617 RZXFTMDQSOILSF-ZBFHGGJFSA-N 318.442 3.231 10 10 DGCE Oc1cc(Br)ccc1CN1[C@H]2CC[C@@H]1[C@H]1CC[C@H]2O1 1900482702 XPNTXINUZAEVNS-AYRXBEOTSA-N 324.218 3.049 10 10 DGCE [N-]=[N+]=NC1CCN(Cc2nc(Br)cs2)CC1 1902656357 IJPZARUCLKYGBT-UHFFFAOYSA-N 302.201 3.180 10 10 DGCE Cc1ccc2c(c1)C=C(C(=O)NCc1ccc(N(C)C)cc1)CO2 1351265307 CAEJQOGSHRLZMY-UHFFFAOYSA-N 322.408 3.153 10 10 DGCE CN(Cc1cnn(Cc2ccccc2)c1)c1ccc(CN)cc1 1915034638 VGPPNARAKNBOLB-UHFFFAOYSA-N 306.413 3.027 10 10 DGCE C[C@@H](N)c1ccc(N(Cc2ccccc2)[C@H]2CCOC2)cc1O 1915433554 CFCATYPLGNZLSP-PBHICJAKSA-N 312.413 3.207 10 10 DGCE Cc1cc(C(=O)NC2CSC2)c(C)n1-c1ccc(F)cc1 1472009618 VDPOECFLGSNOBC-UHFFFAOYSA-N 304.390 3.078 10 10 DGCE COc1ccc(O)c(CN[C@H]2CCC[C@H]2Cc2cc(C)no2)c1 1615852512 NNCJMNPNOBVEKM-GUYCJALGSA-N 316.401 3.198 10 10 DGCE CCC/C=C/[C@@H](O)C(=O)NCc1ccc(N(CC)CC)c(F)c1 1543251361 LMUJXHWIVQEEEU-KBOKABMXSA-N 322.424 3.005 10 10 DGCE CC[C@H](NC(=O)c1ccc(C)c(O)c1O)c1ccccc1F 1557340130 HGVYDTQSLAIGDS-AWEZNQCLSA-N 303.333 3.426 10 10 DGCE COc1ccc(C(F)(F)C(=O)N[C@@H](C)c2ccccc2O)cc1 1557968439 ZFDJHJLRXOFOPL-NSHDSACASA-N 321.323 3.370 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N1CCC(C2CCCCC2)CC1 1557382431 OQYDDOGDFOQNOU-UHFFFAOYSA-N 317.429 3.459 10 10 DGCE Cc1c(C(=O)N[C@H](C)c2ccccc2O)oc(=O)c2ccccc12 1632249826 CWQGNAAGWXOXIK-GFCCVEGCSA-N 323.348 3.298 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2ccc(-c3cn[nH]c3)cc2)c1 1640796451 FMGJAEPOKUBQDV-UHFFFAOYSA-N 307.353 3.021 10 10 DGCE c1cc2c(cc1CN[C@@H](C1CCC1)[C@H]1CCCO1)CCCO2 1662971225 VCDQTDFDLZPDJV-MOPGFXCFSA-N 301.430 3.449 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)/C=C\c1cnccn1 1773069330 JCYBXPNPUVOGLP-HJWRWDBZSA-N 311.385 3.024 10 10 DGCE CCCC1=NN(CC)C(=O)/C1=C/c1cc(OC)ccc1OC 1865668050 CLHQANOUEBLZQX-SDNWHVSQSA-N 302.374 3.105 10 10 DGCE CC[C@@H]1[C@H]([C@H](N)c2ccccc2O)CCN1C(=O)OC(C)(C)C 1936986465 IDQBXAJJHLDEOF-XPKDYRNWSA-N 320.433 3.428 10 10 DGCE OCc1ccc(N2C[C@H]3CC[C@@]2(F)C3)cc1Br 1943054088 BIQRNHWEGACSMB-ZANVPECISA-N 300.171 3.227 10 10 DGCE C[C@H](c1ccccc1O)N(C)Cc1nn(C)cc1Br 1877517581 KLMKRPGJSQZUSX-SNVBAGLBSA-N 324.222 3.081 10 10 DGCE [N-]=[N+]=NCC1(CNC(=O)CCCOCc2ccccc2)CC1 1962231942 PEKIBOCGCCCNDC-UHFFFAOYSA-N 302.378 3.190 10 10 DGCE C[C@H](O)CN(Cc1ccccc1)c1c(F)cc([C@@H](C)N)cc1F 1990438517 BSZBBBBTWUANIL-QWHCGFSZSA-N 320.383 3.372 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2Oc1ccc(N)cc1 1992464965 HYFCVPQQTSSQQF-OJDYBEQGSA-N 318.417 3.339 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CC(CC(F)F)C2)c1O 2152305016 USQFOFONJMCKMQ-UHFFFAOYSA-N 303.736 3.335 10 10 DGCE CO[C@H](C1CC1)C(F)(F)CNCc1ccc(Cl)cc1O 2155491082 PQYPGYRDMNACHB-CYBMUJFWSA-N 305.752 3.196 10 10 DGCE Cc1cc(Br)cc([C@@H](NN)c2ccccc2O)c1 2029555026 FQQBBLBPQJFTKX-CQSZACIVSA-N 307.191 3.016 10 10 DGCE CC1=C(Br)CN(CCOc2ccc(N)cc2)CC1 2034761590 LBLGWPIUEFSRLO-UHFFFAOYSA-N 311.223 3.022 10 10 DGCE OCc1ccc(N2CC(CC(F)(F)F)C2)cc1Br 2034862566 GGIBDRQKRZMBCC-UHFFFAOYSA-N 324.140 3.330 10 10 DGCE C[C@H]1[C@H](CN(C)c2ccc(CO)cc2Br)C1(F)F 2036078643 RBQZMGBUXRUHAV-WPRPVWTQSA-N 320.177 3.279 10 10 DGCE CC(C)NCc1ccc(N2CC(CF)C2)c(Br)c1 2041176902 SEJFXKLVXXHPJK-UHFFFAOYSA-N 315.230 3.353 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@H]3C[C@H]2[C@@H]2C[C@H]32)cc1Br 2041533875 UTWDGEGATVKERC-FRCJOOGCSA-N 307.235 3.313 10 10 DGCE N[C@H](c1ccccc1O)[C@H](O)c1cc(C(F)(F)F)cs1 2161214176 IQRVPMURSCLELF-VXGBXAGGSA-N 303.305 3.206 10 10 DGCE C[C@H](NCc1c(O)cccc1Br)c1ccncc1 706863447 HFEWQROIWWLJGI-JTQLQIEISA-N 307.191 3.401 10 10 DGCE NCc1cc(F)c(N2CC[C@@H](c3nccs3)C2)cc1Cl 2177386026 UWJWDHXHKHWLHS-SECBINFHSA-N 311.813 3.388 10 10 DGCE CC[C@@H](N=c1ccn(CC)[nH]1)c1cc(Br)ccc1O 388815394 RUZFXICETQAOFZ-GFCCVEGCSA-N 324.222 3.356 10 10 DGCE CC1(NCc2cc(Br)ccc2O)CC(F)(F)C1 720936847 UYQREBKBMNTKMM-UHFFFAOYSA-N 306.150 3.432 10 10 DGCE CCOC(=O)c1cnn([C@@H](C)c2c(O)cccc2OC)c1Cl 2070386333 WZMAWJOIISMPFM-VIFPVBQESA-N 324.764 3.037 10 10 DGCE Cc1cc(Br)ncc1CN(C)Cc1ccccc1O 1232317348 OPTIFYLVRHWTBG-UHFFFAOYSA-N 321.218 3.490 10 10 DGCE C[C@@H]1C[C@@H]1CS(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1 2046139229 ZEFRSHDMVFOXKU-RNFRBKRXSA-N 310.202 3.097 10 10 DGCE Oc1c(Br)cccc1CNC[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2 2070873299 CZLMKGHWHOYQBD-HNRZYHPDSA-N 308.219 3.146 10 10 DGCE CC(C)n1nc(Br)cc1NCc1ccc(N)cc1 2217579750 ARRZWDJSJJPDES-UHFFFAOYSA-N 309.211 3.421 10 10 DGCE CO[C@@H]1CC[C@H]1CSc1ncc(CNCC(C)C)s1 2230509907 KAAUHCUDYBIKNW-WCQYABFASA-N 300.493 3.406 10 10 DGCE CSc1ncc(CNc2nccc(CO)c2Cl)s1 2256942412 LIYPECSHTGUQAJ-UHFFFAOYSA-N 301.824 3.018 10 10 DGCE Nc1ccc(CC[S@](=O)CC2(C(F)(F)F)CCC2)cc1 2290356134 AMAGRVGVLILPIR-FQEVSTJZSA-N 305.365 3.293 10 10 DGCE CSc1ncc(CNc2cc(C)c(N)c(C(=O)O)c2)s1 2284701017 XVCRUEXZDZCXBF-UHFFFAOYSA-N 309.416 3.066 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C=CC1CCCCC1 2309813748 GLLGDACHCYRQKI-CYBMUJFWSA-N 303.402 3.282 10 10 DGCE Cc1cccc2ccc(C=C3SC(=S)N(C)C3=O)nc12 2313830384 FZWYLBDYKZBUAS-UHFFFAOYSA-N 300.408 3.374 10 10 DGCE CC(C)[C@@H](O)C(C)(C)NCc1ccc(Br)cc1O 2318034163 YUIRHSYRZXVBAN-CYBMUJFWSA-N 316.239 3.040 10 10 DGCE Cc1ccc(CN[C@@H](C)c2ccnn2C)c(O)c1Br 2352675969 LHXAMIITZKRYFB-JTQLQIEISA-N 324.222 3.047 10 10 DGCE CCCN(c1c(F)cc(CNCCOC)cc1F)C(C)C 62735262 XGMYDMISIXSIQM-UHFFFAOYSA-N 300.393 3.326 10 10 DGCE COc1ccc(N2CCCN(C(=O)[C@H]3C[C@H]3C(C)C)CC2)cc1 185082399 MDIINNIIGHDROT-ROUUACIJSA-N 316.445 3.026 10 10 DGCE CN[C@@H](C)c1ccc(N2CC[C@@H](N3CCCC3)C2)cc1Cl 227328941 WWNZRHMRHALRID-DZGCQCFKSA-N 307.869 3.295 10 10 DGCE CCO[C@@H]1C[C@@H](N(C)Cc2ccc(OC)cc2O)C12CCC2 92041143 DGIWGJIDNIXEHY-IAGOWNOFSA-N 305.418 3.180 10 10 DGCE Nc1ccc(N(C(=O)NCCc2c[nH]cn2)c2ccccc2)cc1 244535958 ZVVFBRLROFRYSY-UHFFFAOYSA-N 321.384 3.082 10 10 DGCE CSc1ncc(CN[C@]2(C(=O)O)CCCCC[C@H]2C)s1 2374525062 YILGPTUNZNVPMF-QMTHXVAHSA-N 314.476 3.378 10 10 DGCE CN(C)c1ccc(CN[C@@H]2CCCOC2)c(C(F)(F)F)c1 281028773 YIGQPQYLLFICFY-GFCCVEGCSA-N 302.340 3.040 10 10 DGCE CC1(C)CN(c2ccc(/C=C\C(=O)O)c(Br)c2)C1 380941741 MHYPCYSOJQIQPR-XQRVVYSFSA-N 310.191 3.393 10 10 DGCE CCn1ccnc1CN[C@H](C)c1cc(Br)ccc1O 296411671 KWYDGUPXOATXLC-SNVBAGLBSA-N 324.222 3.222 10 10 DGCE FC(F)[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)CCO1 802655470 XKVMIMTWFOIJTQ-MRXNPFEDSA-N 310.388 3.143 10 10 DGCE C[C@@H](NC[C@H](CO)c1cccnc1)c1ccc2ccccc2c1O 806179459 ROAMVXLVCJPJGW-RHSMWYFYSA-N 322.408 3.367 10 10 DGCE C[C@H](NC[C@]1(c2ccccc2)C[C@H](O)C1)c1ccc(N(C)C)cc1 903276695 PGJXBSGPZRPOEB-NDXORKPFSA-N 324.468 3.496 10 10 DGCE COc1ccc(CNC/C=C/c2ccc(N(C)C)cc2)c(O)c1 835053245 UVMZAZQLNMBNQY-SNAWJCMRSA-N 312.413 3.270 10 10 DGCE O=C(C[C@@H]1CC[C@@H]2C[C@@H]12)NCc1cc(Br)ccc1O 831932913 MFPKVJUJWDXHSH-GBIKHYSHSA-N 324.218 3.207 10 10 DGCE Fc1ccc(N2CC[C@H](NCc3ccc4c(c3)CCO4)C2)cc1 840976861 GXHCDYHIRSEMMW-KRWDZBQOSA-N 312.388 3.129 10 10 DGCE COCCn1c(C)c(C)c2cc(C(=O)Nc3cnoc3)ccc21 590672401 RPJBBWBOGIHNRN-UHFFFAOYSA-N 313.357 3.145 10 10 DGCE Cc1ccc([C@H](C)NCC[C@@H](N(C)C)C(F)(F)F)c(O)c1 926959034 AINKUILQSXSWPW-SMDDNHRTSA-N 304.356 3.234 10 10 DGCE C[C@H](N[C@H](CO)C1CCC1)c1ccc(N2CCCCC2)cc1 850486316 AREPDVXMEGKLHN-HNAYVOBHSA-N 302.462 3.489 10 10 DGCE Cc1cc(S(=O)(=O)N[C@@H](C)c2ccccc2O)sc1C 867835053 ZXHRAUBQIIYRGT-JTQLQIEISA-N 311.428 3.110 10 10 DGCE CCc1onc(C)c1CN1CCOc2cc(N(C)C)ccc21 930124004 DVRSVIVQHXQCNX-UHFFFAOYSA-N 301.390 3.010 10 10 DGCE COc1ccc(N2CC[C@@H](CNC[C@]3(C)CCCS3)C2)cc1 862397158 CAEJWRZJCYHMLP-YJBOKZPZSA-N 320.502 3.397 10 10 DGCE CN(C)c1ccc(CNC(=O)N[C@@H]2CCCC23CC3)cc1F 868845425 VOOYGCCQNNYYJA-OAHLLOKOSA-N 305.397 3.024 10 10 DGCE C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 779518031 VHIIDCLBKTZIFD-OSSXQKGLSA-N 309.365 3.161 10 10 DGCE Cc1c(CNC(=O)c2c(F)ccc(O)c2O)oc2ccccc12 789978680 NPICLAJXPYFLKN-UHFFFAOYSA-N 315.300 3.222 10 10 DGCE C[C@H](NCc1cncc(Br)c1)c1ccccc1O 702971769 JHVZZRAMXKGICP-JTQLQIEISA-N 307.191 3.401 10 10 DGCE CCNCc1ccc(N2CC(C(F)F)C2)c(Br)c1 707157448 WXHDABPTIWAKPD-UHFFFAOYSA-N 319.193 3.260 10 10 DGCE CN1CC[C@H](NCCCSc2nccs2)[C@@H]2CCC[C@H]21 796772781 VUMDGBSGUJPVKT-MELADBBJSA-N 311.520 3.088 10 10 DGCE C[C@@H](O)c1ccc(N2CCO[C@@](C)(C(F)F)C2)c(Cl)c1 698735560 LSTXQDKLSDYPOO-YMTOWFKASA-N 305.752 3.254 10 10 DGCE CC[S@@](C)(=O)=NCc1ccc(C)c(Br)c1O 1905180315 WUVGBNONQNGDKJ-MRXNPFEDSA-N 306.225 3.081 10 10 DGCE CNCc1ccc(N(C)[C@@H]2[C@H]3[C@H]4C[C@@H]2C[C@H]43)c(Br)c1 2134330511 QKANXBMQKDHLSA-GNNBREFNSA-N 321.262 3.259 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)C1CC(F)(F)C1 1352614356 BCKBZDBAIRWBFR-UHFFFAOYSA-N 308.372 3.291 10 10 DGCE CN(Cc1ccccc1O)C(=O)COCc1cccc(Cl)c1 1294674098 YJTZMFSOQPRWPS-UHFFFAOYSA-N 319.788 3.221 10 10 DGCE O=C(c1ccccc1-c1cn[nH]c1)N1CCc2ccc(F)cc21 1467686493 XKEVMBUAXXPHNM-UHFFFAOYSA-N 307.328 3.419 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2ccc(C(F)(F)F)nc2)c1 1470255595 YPVKMXNBMXZRJX-UHFFFAOYSA-N 310.275 3.044 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)[C@H]1CC[C@@H]2CCCCN21 1647794932 USUAYJIPOJFESX-MAUKXSAKSA-N 324.424 3.179 10 10 DGCE CCOC(=O)CN(CC)Cc1ccc(N2CCCCC2)c(C)c1 1644418788 UWPIXHFNEKUMAM-UHFFFAOYSA-N 318.461 3.370 10 10 DGCE O=C(CCc1ccc(Cl)cc1)NCc1c(O)cccc1O 1597569519 PPDRYLMNENYEFR-UHFFFAOYSA-N 305.761 3.000 10 10 DGCE CC(=O)c1ccc(N(C)C(=O)/C=C/c2scnc2C)cc1 1596402429 VEDIXCHQCTYPIU-CMDGGOBGSA-N 300.383 3.330 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(N)cc2)[C@H](F)C1 1959367441 OHVXMDNFHSTFLE-KGLIPLIRSA-N 309.385 3.028 10 10 DGCE CCNCc1ccc(N(CC)CCOC)c(C(F)(F)F)c1 163693934 WHLAGXQSHBDINV-UHFFFAOYSA-N 304.356 3.288 10 10 DGCE CC(C)NCc1ccc(N2CCC(N(C)C)CC2)c(Cl)c1 163959452 VQRYLBMLTBZWJZ-UHFFFAOYSA-N 309.885 3.368 10 10 DGCE CCCNC(=O)[C@@H]1CCc2c(c3cc(Cl)ccc3n2C)C1 1858153602 NRAZIJNTUYKSJM-LLVKDONJSA-N 304.821 3.463 10 10 DGCE Oc1cccc(Br)c1CNC[C@@H]1C[C@]12CC2(F)F 1876070293 RUUJGRXXJAGNMW-UFBFGSQYSA-N 318.161 3.290 10 10 DGCE CCCN(CCN=[N+]=[N-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1962297753 AGZOCVUBEQEQIW-CYBMUJFWSA-N 311.430 3.408 10 10 DGCE CC(C)(C)OC(=O)N1CCN(CCCN=[N+]=[N-])C2(CCC2)C1 1962287672 LOUWWKMZNYYNGR-UHFFFAOYSA-N 309.414 3.162 10 10 DGCE CC[C@](CCCSc1nccs1)(NC(C)C)C(=O)OC 2144123331 ZVUVAAVANBNUHZ-CQSZACIVSA-N 316.492 3.335 10 10 DGCE C[C@H]1CCOC[C@H]1N(C)Cc1cc(Br)ccc1O 2035128599 YIPZMLONLJONMG-GXFFZTMASA-N 314.223 3.012 10 10 DGCE CCCNCc1ccc(N2C[C@@H]3C[C@H]3C2)cc1Br 379552824 UGUVBOYNFXBDHU-STQMWFEESA-N 309.251 3.405 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1C[C@H]2[C@H]3CC[C@@H](O3)[C@@H]12 2188732288 TZOVNHAIEUYQIC-BTXBGFNFSA-N 314.212 3.355 10 10 DGCE CNCc1ccc(N2C[C@H]3CC=CC[C@@H]32)cc1Br 2057023740 YJIVEWSBOWLAEL-DOMZBBRYSA-N 307.235 3.323 10 10 DGCE C[C@H](c1ccccc1O)N(C)c1ccc(Br)nn1 2072457757 BBOUFRNHYUKPNI-SECBINFHSA-N 308.179 3.142 10 10 DGCE CCOc1ccc(C=C2C(=O)N(CC)N=C2CC)cc1OC 2332124522 KMUFZBWNHZDAFM-UHFFFAOYSA-N 302.374 3.105 10 10 DGCE Cc1ccc(CN(C)C(=O)C2(C)CC2)c(O)c1Br 2327602292 GYPCGLDZWYRPIR-UHFFFAOYSA-N 312.207 3.222 10 10 DGCE COc1ccc(Br)c(CN[C@@H]2C[C@H]3C=C[C@@H]2C3)c1O 2333718891 IBKRRMFJTVUUNR-OPQQBVKSSA-N 324.218 3.218 10 10 DGCE O=[N+]([O-])c1ccc(O)c(CN2CCC(OC3CCCC3)CC2)c1 170914376 MTZNFKVLOQHKTJ-UHFFFAOYSA-N 320.389 3.224 10 10 DGCE NCC[C@@H]1CN(Cc2cc(Cl)ccc2O)c2ccccc21 63126842 YZPWXVWHPUTRGZ-GFCCVEGCSA-N 302.805 3.498 10 10 DGCE COC[C@H](C)N(C)c1c(F)cc(CNCC(C)C)cc1F 62737325 FZZSHMDPRSFWPB-LBPRGKRZSA-N 300.393 3.182 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCCC1CC1 77623907 GCEMXCWPGURAET-UHFFFAOYSA-N 303.450 3.474 10 10 DGCE CCCCN(C)CC1CCN(Cc2ccc(OC)cc2O)CC1 134175121 UFLMIXQUGCBYSZ-UHFFFAOYSA-N 320.477 3.345 10 10 DGCE CCN(CC)c1ccc(CN[C@@H](C)c2ccnn2C)cc1F 192848062 HYUFJKUVVXNPDU-ZDUSSCGKSA-N 304.413 3.256 10 10 DGCE CCOC(=O)c1ccc(CN(C)c2ccc(OC)cc2OC)o1 89263387 NKUYLWJYNOODDI-UHFFFAOYSA-N 319.357 3.110 10 10 DGCE CC[C@H]1CCC[C@](NCc2cnc(SC)s2)(C(=O)O)C1 2371755008 HMANFNIMDGVNDS-IINYFYTJSA-N 314.476 3.378 10 10 DGCE Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2Cc1cc(F)ccc1O 374999110 ZICUGZFAQHXTOG-SFESLNEESA-N 315.392 3.175 10 10 DGCE COCCn1c(C)c(C)c2cc(C(=O)N3C[C@H](C)[C@@H]3C)ccc21 293990461 HPDMCMHZHDCINS-JSGCOSHPSA-N 314.429 3.385 10 10 DGCE CSc1cnc([C@@H](O)c2ccc3c(c2)CCCN3C)s1 2163101678 DDSKHGGQDGCODY-AWEZNQCLSA-N 306.456 3.329 10 10 DGCE CCN(CC)c1ccc(CNCC2(CF)CCOCC2)cc1 824794743 HSCZUJPKWFRILR-UHFFFAOYSA-N 308.441 3.389 10 10 DGCE Oc1cc(F)c(Cl)cc1CNCCCC1CCOCC1 824477782 XJWPMCJDVVQKLK-UHFFFAOYSA-N 301.789 3.481 10 10 DGCE CN(C)c1ccc(/C=C/CN2CC[C@H](Cc3cnn(C)c3)C2)cc1 835029268 RXHBFOBPOQSIPW-SHCNBLLESA-N 324.472 3.064 10 10 DGCE CN(C)c1ccc(/C=C/CNC[C@H](O)c2ccsc2)cc1 835041363 WYWOHIYTPQSETC-IDOMTICXSA-N 302.443 3.151 10 10 DGCE CC(C)(C)Oc1cccc(C(=O)NCc2ccc(O)cc2O)c1 910955871 HWSGPIPDAMBOKU-UHFFFAOYSA-N 315.369 3.205 10 10 DGCE Oc1c(CN2CCO[C@]3(CCSC3)C2)ccc2ccccc12 843418409 STTZDUJIZCVZHD-GOSISDBHSA-N 315.438 3.253 10 10 DGCE Oc1ccc(Cl)c(F)c1CN1CCC[C@H]([C@H]2CCCN2)C1 843045348 NUUXCWMCAZCCRE-SMDDNHRTSA-N 312.816 3.149 10 10 DGCE CCc1cccc(CN[C@@H](C)c2ccc(-n3cncn3)cc2)c1O 848892589 BDUQVQAIPGXXLJ-AWEZNQCLSA-N 322.412 3.386 10 10 DGCE Cc1cc(O)c(CN2CC[C@@H]3[C@@H](CCCN3C)C2)c(Cl)c1 840920408 GPUNFPSDPNUNJO-XJKSGUPXSA-N 308.853 3.270 10 10 DGCE C[C@H](NC[C@@H]1CC[C@H](N)C1)c1ccc(Cl)c(Cl)c1O 925882488 NEOQZUKYXKXRIM-AEJSXWLSSA-N 303.233 3.477 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1CC[C@@H](C2CC2)O1 929527604 SUUCWEOFUHRYQH-MSOLQXFVSA-N 316.445 3.059 10 10 DGCE C[C@@H](N[C@H](C)C(C)(C)O)c1cc(Br)c(F)cc1O 756820568 YHHUJONALKALBM-HTQZYQBOSA-N 320.202 3.104 10 10 DGCE Cc1ccc(O)c([C@H](C)Nc2cccc([C@@H]3CNC(=O)C3)c2)c1 757619540 QMSVZYHBAAQLLK-ZFWWWQNUSA-N 310.397 3.477 10 10 DGCE CC(C)(C)OC(=O)NCCC(F)(F)COc1ccc(N)cc1 1953010427 UNLYEKCHPFDVTQ-UHFFFAOYSA-N 316.348 3.198 10 10 DGCE C[C@@H](C1CC1)n1nccc1NC(=O)NCc1c(O)cccc1F 930919143 HUVRSXOKWBATMH-JTQLQIEISA-N 318.352 3.021 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1nccc2cccnc12 1137346859 ODWRNHXBUIMGKQ-UHFFFAOYSA-N 321.380 3.388 10 10 DGCE C[C@@H]1CC[C@H]1NCc1ccc(N2CCN(CC3CC3)CC2)cc1 783266082 NEBHHIUZQXTYQE-OXQOHEQNSA-N 313.489 3.107 10 10 DGCE Cc1cccc(CNCC[C@@H]2CCC3(CCOCC3)CO2)c1O 895798669 JEHYMHVMWYNNQB-KRWDZBQOSA-N 319.445 3.156 10 10 DGCE Cc1cc(C)c2c(c1)N(C(=O)/C=C/c1cncc(F)c1)CCO2 1130700048 OADDEIZIUBWAFB-ONEGZZNKSA-N 312.344 3.276 10 10 DGCE C[C@H](O)c1ccc(N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1 705942975 WJPHCLAWCMNOAI-FFZOFVMBSA-N 322.452 3.308 10 10 DGCE C[C@@H](N)c1ccc(N(CCO)Cc2ccccc2)c(Cl)c1 61698130 BCDNPJOIUUXMJD-CYBMUJFWSA-N 304.821 3.359 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)Cc1ccc(Br)cc1 692825508 CHUODGZCHZXICL-GFCCVEGCSA-N 323.194 3.293 10 10 DGCE C[C@@H]1O[C@H](C)[C@H](C(=O)NCc2c(O)ccc3ccccc23)[C@@H]1C 1157050340 DZOMRVWLSMDLNI-SJBDTSRBSA-N 313.397 3.221 10 10 DGCE C[C@@]12CSC[C@H]1CN(c1cc(Cl)c(CN)cc1F)C2 2120878936 FPXFDJYMJXYGKF-QMTHXVAHSA-N 300.830 3.127 10 10 DGCE CN(Cc1cc(Cl)cc(Cl)c1O)[C@H]1CCOC[C@@H]1F 2130200035 DVJWOAZBBZOYHX-RYUDHWBXSA-N 308.180 3.258 10 10 DGCE O=C(C=Cc1ccc(Br)o1)NCc1ccccc1O 1912060447 WCYUZFPYBNVWFF-UHFFFAOYSA-N 322.158 3.077 10 10 DGCE [N-]=[N+]=NC1CCN(Cc2ncc(Br)s2)CC1 1912207130 JUWGQEBQLTUYKG-UHFFFAOYSA-N 302.201 3.180 10 10 DGCE CCN1C[C@@H](C)N(Cc2cc(Cl)cc(C(C)=O)c2O)C[C@H]1C 1459872898 IJZZIMXNXGNTCS-VXGBXAGGSA-N 324.852 3.163 10 10 DGCE O=C(NCc1ccccc1O)c1ccccc1-c1ccncc1 1294925313 NMHWXHRGIFHLFR-UHFFFAOYSA-N 304.349 3.384 10 10 DGCE CO[C@H]1C[C@H](CNC(=O)c2sccc2-n2c(C)ccc2C)C1 1471635252 VYSCWQQWFFURLR-HDJSIYSDSA-N 318.442 3.310 10 10 DGCE O=C(CCc1ccc(Cl)c(F)c1)NCc1c(O)cccc1O 1635850295 KHUHKARUUGWEKM-UHFFFAOYSA-N 323.751 3.139 10 10 DGCE CC[C@@H](C)CC(=O)N(C)C[C@@H](C)NCc1ccc(OC)c(C)c1 1571384781 VXCMDNSMJCFWBH-GDBMZVCRSA-N 320.477 3.376 10 10 DGCE CC(C)n1ccnc1C(=O)NCc1c(O)ccc2ccccc12 1652709026 SKEJOHDPIYDLNH-UHFFFAOYSA-N 309.369 3.253 10 10 DGCE C[C@@H](NC(=O)c1ccc(Cn2cccn2)cc1)c1ccccc1O 1587444748 NRLKYIGEIJVWEA-CQSZACIVSA-N 321.380 3.128 10 10 DGCE CC(C)[C@H](CNC(=O)OC(C)(C)C)[C@@H](N)c1ccccc1O 1928472848 UZKXQEJANRLPNS-ZFWWWQNUSA-N 308.422 3.189 10 10 DGCE CC1=NN(c2nc(C)cc(C)n2)C(=O)/C1=C/Nc1ccc(C)cc1 17055789 LNHVZTBJGVLTOB-MHWRWJLKSA-N 321.384 3.120 10 10 DGCE COCCNCc1ccc(N(C)C(C)C)cc1C(F)(F)F 167342563 GRBFIYBLZSKDNR-UHFFFAOYSA-N 304.356 3.286 10 10 DGCE Cc1ccc(C)c(/N=N/N2CCN(C(=O)c3ccco3)CC2)c1 1860482773 ZZFOFZMYYCKMQU-VHEBQXMUSA-N 312.373 3.353 10 10 DGCE CC(C)[C@H]1C[C@@H]1NCc1cc(Br)cc(F)c1O 1941441425 KOHIIEZMFJEWKK-PWSUYJOCSA-N 302.187 3.428 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1CN(CCN=[N+]=[N-])C2(CCC2)C1 1962298956 JVZYRKDXJYIAJT-GFCCVEGCSA-N 309.414 3.066 10 10 DGCE CC(C)(C)[C@@](C)(O)CNCc1ccc(Br)cc1O 1964605882 MLQAKQGJIRZTLD-AWEZNQCLSA-N 316.239 3.041 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@@H]1C[C@]12CCOC2 1974202670 RPWKMFNSPMVOQX-HZMBPMFUSA-N 302.201 3.215 10 10 DGCE C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(c2ccc(N)cc2)C1 1977969436 APBDNWGHNZBJCF-CZUORRHYSA-N 319.449 3.398 10 10 DGCE CCN[C@@H](C)c1ccc(N(C)Cc2csnn2)c(Cl)c1 2150279856 GSTMBVYQVFURBR-JTQLQIEISA-N 310.854 3.498 10 10 DGCE C[C@H]1C[C@]1(F)CN(C)c1ccc(CO)c(Br)c1 2025732740 PKKIPMACYXUNQG-ZANVPECISA-N 302.187 3.126 10 10 DGCE C[C@H]1CCO[C@@H]1CN(C)Cc1cccc(Br)c1O 2034984343 JKESDGGFFTYKNJ-GXFFZTMASA-N 314.223 3.012 10 10 DGCE COC(=O)C1=C(C)N(C)C(=O)C1=Cc1cccc2ccccc12 2053498311 WZVXOEVGGUGJPW-UHFFFAOYSA-N 307.349 3.142 10 10 DGCE CC1(C)CN(Cc2cc(Cl)cc(Cl)c2O)C[C@@H]1C(=O)O 709794289 VWRVXAZUXQKRDQ-SNVBAGLBSA-N 318.200 3.242 10 10 DGCE Oc1cccc(Cl)c1CN1[C@H]2CC[C@H]1c1cncnc1C2 2064175950 PWQFINCDXYYEIU-BONVTDFDSA-N 301.777 3.097 10 10 DGCE Cc1ccc([C@H](C)n2cc(C(=O)OC(C)(C)C)cn2)c(O)c1 2069973145 NNUAGSBJUXRNTN-LBPRGKRZSA-N 302.374 3.462 10 10 DGCE COc1cccc(O)c1[C@@H](C)n1ncc(C2CCCC2)c1N 2070217265 HYKBRUCBRDSZIS-LLVKDONJSA-N 301.390 3.446 10 10 DGCE CN1CCc2cc([C@@H](N)c3ccoc3Br)ccc21 2044748570 TURAJJQHJFNPRT-CYBMUJFWSA-N 307.191 3.083 10 10 DGCE CSc1ncc(CNCc2ccc(C)c([N+](=O)[O-])c2)s1 2208592135 DRBZHYAVJCQVQK-UHFFFAOYSA-N 309.416 3.371 10 10 DGCE Oc1ccc(Cl)cc1CNc1cnncc1Br 2253268372 IRHBMXQXVVXELR-UHFFFAOYSA-N 314.570 3.210 10 10 DGCE Cc1cc(N2CCN(Cc3ccccc3)CC2)ccc1[C@H](C)O 2243959710 DXMRHRRWNPFGAO-KRWDZBQOSA-N 310.441 3.371 10 10 DGCE CN[C@@H](C)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1 2244235897 UJCOMYYMKWSHQN-AWEZNQCLSA-N 319.449 3.024 10 10 DGCE CCC(O)(CC)CN(C)c1cc(Cl)c(OC)cc1OC 2285852919 DEGWCLCKJDVTIK-UHFFFAOYSA-N 301.814 3.345 10 10 DGCE Nc1ccc(CC[S@](=O)CC2CC(C(F)(F)F)C2)cc1 2287334739 OSPGDPIYPFPEJR-IGFCCVMLSA-N 305.365 3.149 10 10 DGCE COc1ccc(Br)c(CN2CCC(C)(C)C2)c1O 1231553368 VKSIKNLKOPUMRE-UHFFFAOYSA-N 314.223 3.395 10 10 DGCE Cc1ncsc1C=CC(=O)N(C)c1ccccc1N(C)C 2310107219 OMTALAZMCIHQRE-UHFFFAOYSA-N 301.415 3.194 10 10 DGCE CCCCOc1ccc(C=C2C(=O)N(C)N=C2C)cc1OCC 2332106671 RJPJNASKJZLQFX-UHFFFAOYSA-N 316.401 3.496 10 10 DGCE CCCN(Cc1ccc(C)c(Br)c1O)C[C@@H](C)O 2327623450 HZDZHUWPMGRPES-LLVKDONJSA-N 316.239 3.056 10 10 DGCE CC[C@H](N)c1cncn1Cc1ccc(C)c(Br)c1O 2352620812 UPSSHLZXCPVRQK-NSHDSACASA-N 324.222 3.118 10 10 DGCE O=C(CN(Cc1cccs1)C1CC1)c1ccc(O)c(O)c1 50154748 TWTPFWQCGADHEL-UHFFFAOYSA-N 303.383 3.007 10 10 DGCE CCN(CC)c1ccc(/C=C2/N=C(c3cccnc3)OC2=O)cc1 28307681 DHTVUAVRDVJVCO-SFQUDFHCSA-N 321.380 3.272 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@H](C)c2nc(C(C)(C)C)no2)c1 182366208 UESOAWWLFCCRLK-WDEREUQCSA-N 319.405 3.493 10 10 DGCE Cc1c(NC(=O)/C=C/c2ccc(O)c(O)c2)cccc1N(C)C 181316771 MTZPABWYSYVXFB-CSKARUKUSA-N 312.369 3.124 10 10 DGCE Cc1csc([C@H]2COCCN2Cc2ccc(N(C)C)cc2)n1 190403534 MCTHLGATHNRADC-MRXNPFEDSA-N 317.458 3.091 10 10 DGCE COc1ccc(CNC(C)C)cc1CSc1ccncn1 81886839 GHPDKZQGFGIWAX-UHFFFAOYSA-N 303.431 3.276 10 10 DGCE Cc1cc(Br)cnc1NCc1cc(N)ccc1O 94051515 FDGUCMGWKGRXEI-UHFFFAOYSA-N 308.179 3.052 10 10 DGCE COC(=O)c1ccc(O)c([C@@H](C)NCc2ccc(Cl)cn2)c1 273356762 CSBQJPUVJDVZLY-SNVBAGLBSA-N 320.776 3.078 10 10 DGCE Cc1ccc([C@H](C)N[C@@H]2COc3ccc(F)cc3C2)c(O)c1 808729426 JOCFFKFSUHESMU-WFASDCNBSA-N 301.361 3.494 10 10 DGCE O=C(O)/C=C/c1ccc(N2CC[C@@H]3C[C@H]32)cc1Br 707063172 UPVITVWDEWMOPL-WQLMKKEISA-N 308.175 3.146 10 10 DGCE CCN1CCc2cc([C@@H](NN)c3ccc(Cl)s3)ccc21 2163130087 DUQLEHOVFVOCIB-OAHLLOKOSA-N 307.850 3.337 10 10 DGCE O=C(NCCC1(F)CCC1)NCc1c(O)ccc2c1CCCC2 806042364 ULMVMAKHNFOQQS-UHFFFAOYSA-N 320.408 3.353 10 10 DGCE COCC[C@@H](COC)N[C@@H](C)c1cc(Cl)c(Cl)cc1O 810258022 XZXNVVJQFKYACQ-UWVGGRQHSA-N 322.232 3.401 10 10 DGCE COc1ccnc(CNCc2cc(Cl)c(C)cc2O)c1F 827260166 KPLDBTTWENXWCG-UHFFFAOYSA-N 310.756 3.187 10 10 DGCE COC[C@H]1CCCN(Cc2cc(Cl)cc(OC)c2O)CC1 825321785 NUHWCXJLVMVHRF-LBPRGKRZSA-N 313.825 3.303 10 10 DGCE CC[C@H](N[C@@H]1CCCN2CCSC[C@@H]12)c1ccc(C)cc1O 903269677 AZEHAWCAFPAVOR-BBWFWOEESA-N 320.502 3.321 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCS[C@H](C)C1 919080727 FVPJLMBFADMULF-HIFRSBDPSA-N 321.490 3.144 10 10 DGCE CC(C)[C@@H]1CCCC[C@H]1NC(=O)NCCc1ccc(N)cc1 841787522 CXAXRNSMCHDQQL-DLBZAZTESA-N 303.450 3.325 10 10 DGCE Cc1cc(O)c(CN(CCCO)CC(F)(F)F)c(Cl)c1 840914464 UIAOCQMNSURNOZ-UHFFFAOYSA-N 311.731 3.101 10 10 DGCE O=C(/C=C\C1CCCCCC1)NCCc1ccc(O)c(O)c1 845834445 VYDMBQXNAKNFBX-NTMALXAHSA-N 303.402 3.283 10 10 DGCE c1ccc(-n2ncc(COc3ccc(N4CCCC4)cc3)n2)cc1 749795841 JIXZDPWKYABVEG-UHFFFAOYSA-N 320.396 3.447 10 10 DGCE C/C(=C/c1cccnc1)C(=O)NCc1ccc(N2CCCC2)cc1 847339304 SFMYFDBXNYRYTH-SSZFMOIBSA-N 321.424 3.402 10 10 DGCE Cc1cc2c(cc1C)N(C(=O)NCCc1ccc(N)cc1)CC2 841961589 FWIDDKUIRIZIAV-UHFFFAOYSA-N 309.413 3.200 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1CC[C@H](C2CC2)O1 929527606 SUUCWEOFUHRYQH-QZTJIDSGSA-N 316.445 3.059 10 10 DGCE COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2CC3CCC2CC3)c1 756845345 UBNCTLCQNSGEFS-PIISCBOPSA-N 303.402 3.408 10 10 DGCE CC[C@@H](NCC1(CC(N)=O)CCCCC1)c1ccccc1O 850573055 ISGZBUODQSCMEC-OAHLLOKOSA-N 304.434 3.259 10 10 DGCE COc1ccc(N2CC[C@H](Nc3noc(C(C)(C)C)n3)C2)cc1 853758895 MFMGNLWYKOMTRU-LBPRGKRZSA-N 316.405 3.067 10 10 DGCE CN(Cc1ccccc1O)c1nccn2nc(C3CCC3)cc12 865647435 WOGPEALEDMYMRB-UHFFFAOYSA-N 308.385 3.339 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CC1CSC1 864949043 FUTCIGJKONEZOH-UHFFFAOYSA-N 306.475 3.243 10 10 DGCE O=C(NCCCC(F)F)c1cc2cc(O)c(O)cc2s1 1119709557 RZIYJLDFUXRSMW-UHFFFAOYSA-N 301.314 3.088 10 10 DGCE CO[C@@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)C1CCC1 1124549100 CESGMXFPBASTJD-GOSISDBHSA-N 316.445 3.060 10 10 DGCE CCOc1ccc(CN2CC[C@H](Cc3ccncc3)C2)c(O)c1 783597389 MOXKDEHUHGHHKC-MRXNPFEDSA-N 312.413 3.251 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C)c2ccnn2C)cc1 1132520759 AMDOIFCUADCGMG-OAHLLOKOSA-N 322.412 3.319 10 10 DGCE CCOC(=O)[C@@H]1CC[C@H](NCc2ccc(N(CC)CC)cc2)C1 798089292 OIHBCFAVZKBYNL-SJORKVTESA-N 318.461 3.354 10 10 DGCE Cc1cccc(CN[C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)c1O 686282723 YCVPZWWCYQGJFG-ZDUSSCGKSA-N 320.433 3.046 10 10 DGCE COc1cccc(CNC(=O)/C=C/CCc2ccccc2)c1O 1150543965 VXKINXZBAJFEIL-AWNIVKPZSA-N 311.381 3.206 10 10 DGCE CC(C)OCCN(C)c1ccc([C@@H](C)N)cc1Br 157990622 RXJSNZBKBHLXFR-LLVKDONJSA-N 315.255 3.330 10 10 DGCE CCc1ccnc(C(=O)NCc2ccc(N(CC)CC)cc2)c1 1354540369 DMOLJGPDSMDENF-UHFFFAOYSA-N 311.429 3.420 10 10 DGCE Nc1cccc(Br)c1N[C@@H]1CC[C@@H]2[C@H]1C2(F)F 1905714400 YSIZKDDCGNIDEA-BDODKLCJSA-N 303.150 3.487 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](CO)C1CCC1 1453313647 QVTHFKHDNDQPPF-AWEZNQCLSA-N 318.442 3.046 10 10 DGCE COc1ccc(N(C)Cc2cccnc2[N+](=O)[O-])cc1Cl 1616055696 FPTJEJZJEGJZPK-UHFFFAOYSA-N 307.737 3.288 10 10 DGCE CC[C@@H]1C[C@H]1NC(=O)c1ccccc1-n1c(C)cc(C=O)c1C 1639603484 YYATUZAPFOURFV-RHSMWYFYSA-N 310.397 3.435 10 10 DGCE COC1(CNC(=O)N[C@H](C)c2ccccc2O)CCC(C)CC1 1564698024 BLESKJFHYIIKMD-TXKKKEFDSA-N 320.433 3.348 10 10 DGCE CC(=O)c1cc(NC(=O)N2Cc3cccc(O)c3C2)ccc1C 1562998057 HWXYJCHOPJQNBI-UHFFFAOYSA-N 310.353 3.451 10 10 DGCE CC(C)Cn1ccc(C(=O)NCc2c(O)ccc3ccccc23)n1 1647794905 SSQAFCMTTDKQQP-UHFFFAOYSA-N 323.396 3.328 10 10 DGCE COc1ccc(CN[C@@H](CO)c2cc(F)ccc2F)cc1C 1648617862 XVUNGGPOYNQUDJ-INIZCTEOSA-N 307.340 3.105 10 10 DGCE O=C(NCc1c(O)cccc1O)c1c[nH]cc1-c1ccccc1 1652622931 KGJJMRCJQNHWFG-UHFFFAOYSA-N 308.337 3.023 10 10 DGCE CCN[C@@H](CN(CC)C(=O)OC(C)(C)C)c1ccccc1O 1928468814 AOKWFRBPEWWIDD-AWEZNQCLSA-N 308.422 3.300 10 10 DGCE Cn1cnc(/C=C/C(=O)N2CCCc3cc(F)cc(Cl)c32)c1 1583658622 HGOTWDHMICWICP-SNAWJCMRSA-N 319.767 3.205 10 10 DGCE CC(C)(C)OC(=O)N[C@@]1([C@@H](N)c2ccccc2O)CC1(C)C 1960477596 RLLYYNKSOAJNPY-SUMWQHHRSA-N 306.406 3.085 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([C@H](N)c2ccccc2O)C1 1936967707 JVJXENIRFLBUFT-IOASZLSFSA-N 320.433 3.476 10 10 DGCE CNCc1ccc(N2CCS[C@H](C)C2)cc1C(F)(F)F 137244945 DGBGIPCGLVUUME-SNVBAGLBSA-N 304.381 3.367 10 10 DGCE CCCNCc1cc(F)c(N2CCS[C@H](C)C2)c(F)c1 137245889 XHCQFMUWBDHOIN-LLVKDONJSA-N 300.418 3.406 10 10 DGCE CN[C@@H](c1ccsc1Cl)[C@@H](O)c1ccc(N(C)C)cc1 2147432976 KYUCZEJHRUDYFP-KBPBESRZSA-N 310.850 3.462 10 10 DGCE CN(CCCC(F)F)c1ccc(CN)c(Br)c1 2001736898 FVSPXSZVZYWDDA-UHFFFAOYSA-N 307.182 3.389 10 10 DGCE C[C@@H]1C[C@@H]([C@@H](N)c2ccc(N(C)C)cc2)N1C(=O)OC(C)(C)C 1977946318 VDXKJZZYEOJMKG-KCXAZCMYSA-N 319.449 3.150 10 10 DGCE Cc1cccc(N)c1N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]2C[C@H]21 1983873452 GPPMOJXLOXZKNP-CFVMTHIKSA-N 317.433 3.387 10 10 DGCE C[C@H](O)c1ccc(N(C)CC2(F)CC2)c(Br)c1 2025733842 VUSADZWGDKJBGW-VIFPVBQESA-N 302.187 3.441 10 10 DGCE CCCNCc1cnc(Sc2n[nH]c(C(C)(C)C)n2)s1 2155332404 LKPPGBAEPVQOOR-UHFFFAOYSA-N 311.480 3.210 10 10 DGCE CNCc1ccc(N2CCCC(F)(F)C2)c(Br)c1 405119696 VVKJBOAJTBSIND-UHFFFAOYSA-N 319.193 3.404 10 10 DGCE Oc1ccc(CNCCc2ccc(Br)cc2)cc1O 311665223 GIEINLZPORJBAR-UHFFFAOYSA-N 322.202 3.193 10 10 DGCE Oc1cccc(Br)c1CNCC[C@H]1CCSC1 704819775 BSPJAZKCKLMPGN-JTQLQIEISA-N 316.264 3.388 10 10 DGCE CO[C@@H]1CC[C@@H]1N(C)c1ccc([C@@H](C)O)c(Br)c1 724151592 SPZLWQAZJPZJBZ-BIGNPOOSSA-N 314.223 3.116 10 10 DGCE Cc1oc(Br)cc1C(=O)NCCCCN=[N+]=[N-] 396763851 LEPBERFTONVRBH-UHFFFAOYSA-N 301.144 3.171 10 10 DGCE COC(=O)c1cc(C(C)C)nn1[C@H](C)c1c(O)cccc1F 2069957610 PXCBBSZICQSZGR-SNVBAGLBSA-N 306.337 3.247 10 10 DGCE CN[C@H](C)c1ccc(N(C)C[C@H]2OCC[C@@H]2F)cc1Cl 2179112634 ZKDYDEVOMPTSJK-WKPIXPDZSA-N 300.805 3.184 10 10 DGCE OCc1cnn(Cc2cccc(C(F)(F)F)c2O)c1C(F)F 2079041021 RANSQBLXLMWISN-UHFFFAOYSA-N 322.233 3.086 10 10 DGCE CCCN(CCOC)Cc1c(O)cccc1Br 1140098838 OOLCQVFMSZIYOX-UHFFFAOYSA-N 302.212 3.013 10 10 DGCE CSCC1(C)CN(c2ccc(CN)cc2C(F)(F)F)C1 2182706187 RRJFSEWEWXRPPZ-UHFFFAOYSA-N 304.381 3.353 10 10 DGCE Nc1ccc(CCN2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)cc1 1909107093 HHZFYLYDRQRBKV-PZJWPPBQSA-N 321.468 3.018 10 10 DGCE C[C@H](N)c1ccc(N2CC[C@@H](c3nncs3)C2)c(Cl)c1 2196548083 IKAPLZTWLWQPNJ-GXSJLCMTSA-N 308.838 3.205 10 10 DGCE NCc1ccc(N2CC[C@@H]3CC[C@H]3C2)c(F)c1Br 2068257294 TXPHENXGIRXXLE-ONGXEEELSA-N 313.214 3.283 10 10 DGCE C[C@H](O)c1ccc(N2C[C@](C)(Br)[C@](C)(F)C2)cc1 2084856240 MHTSCFLNRSVBCM-LEWSCRJBSA-N 316.214 3.442 10 10 DGCE CNCc1ccc(N(C)Cc2ocnc2C)cc1Br 2105601788 HTHKGMNEUWCKOW-UHFFFAOYSA-N 324.222 3.101 10 10 DGCE CN(Cc1ccc(Cl)cc1O)C[C@@H](F)C1CCOCC1 2238363671 AKMVQDZLGGVJDU-CQSZACIVSA-N 301.789 3.242 10 10 DGCE COc1c(C(=O)NCC2(CN=[N+]=[N-])CC2)csc1Cl 2268935267 WBCHIHNVUKWWLE-UHFFFAOYSA-N 300.771 3.230 10 10 DGCE Cn1cccc1C=C1SC(=S)N(c2ccccc2)C1=O 2297468096 XKNJVCWXLWVRTQ-UHFFFAOYSA-N 300.408 3.431 10 10 DGCE CCOC(=O)[C@@H]1CCCN(N=Nc2ccc(OCC)cc2)C1 2330164879 QLYCFUCPRJNNAU-CYBMUJFWSA-N 305.378 3.359 10 10 DGCE CCC(=O)[C@@H](C)N(C)Cc1ccc(C)c(Br)c1O 2327613846 YOXSXRSGACPNMI-SNVBAGLBSA-N 314.223 3.263 10 10 DGCE Cc1cn(C)c(N(C)Cc2ccc(C)c(Br)c2O)n1 2352950804 YHZFQVBTUZQBQA-UHFFFAOYSA-N 324.222 3.141 10 10 DGCE CC(C)CN1C(=O)/C(=C/Nc2cccc(O)c2)SC1=S 101345542 MUIWAPYOSOYQGK-GHXNOFRVSA-N 308.428 3.162 10 10 DGCE Oc1ccc([C@H]2NCCc3c2[nH]c2ccc(Cl)cc32)cc1O 21658072 MKMIYFNXTRAQHZ-MRXNPFEDSA-N 314.772 3.468 10 10 DGCE Cc1cc(C(=O)N2CCc3cnccc32)c(C)n1-c1ccccn1 118708405 QXDPHWGFBIVDHU-UHFFFAOYSA-N 318.380 3.087 10 10 DGCE Cc1cnc(C(=O)N(c2ccccc2)c2ccc(N)cc2)cn1 170231128 NCHWYRQOMRPFNL-UHFFFAOYSA-N 304.353 3.346 10 10 DGCE COc1ccc(CN2CCC[C@@H]2c2noc(C(C)C)n2)c(O)c1 127880830 LZQJCIAPEZOYMS-CQSZACIVSA-N 317.389 3.244 10 10 DGCE CC(=O)c1cc(F)cc(CN(C(C)C)C2CCOCC2)c1O 79443649 DKXDDSZAGJLGIY-UHFFFAOYSA-N 309.381 3.123 10 10 DGCE Nc1ccc(CC(=O)N[C@@H]2CCCC[C@H]2C(F)(F)F)cc1 37044273 QHQYNKGQHPAODU-CHWSQXEVSA-N 300.324 3.049 10 10 DGCE COc1cccc([C@H]2CN(Cc3cccc(C)c3O)CCO2)c1 180047677 NQLWIMHZVLRROC-GOSISDBHSA-N 313.397 3.283 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@H]1CCCC[C@H]1O 77204233 VYPMTIGARYDXNA-NOZJJQNGSA-N 304.217 3.340 10 10 DGCE COc1cccc(CN(C)[C@H](C)Cc2ccc(O)cc2)c1O 93324806 IFBYATLEIJMXFA-CYBMUJFWSA-N 301.386 3.169 10 10 DGCE COc1ccc(N2CCC(OCc3ccccc3)CC2)c(N)c1 383939822 LHQVCMMEFAOPGC-UHFFFAOYSA-N 312.413 3.463 10 10 DGCE CC(=O)N(C(=S)Nc1cc(Cl)ccn1)c1ccc(N)cc1 242987692 HSCCOVVJRCZMST-UHFFFAOYSA-N 320.805 3.067 10 10 DGCE COc1ccc(CCN[C@H](C)c2ccc(C)c(C)c2O)cn1 527992341 YLBCSDIVATYRFF-CQSZACIVSA-N 300.402 3.306 10 10 DGCE CC(=O)N1CCN(Cc2cc(-c3ccccc3)ccc2O)[C@H](C)C1 271173738 IRRZOYMYPLZWHQ-OAHLLOKOSA-N 324.424 3.112 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCOCC1 373208608 ZSRWZCGZOJNVLL-KRWDZBQOSA-N 318.461 3.306 10 10 DGCE COc1ccc(Br)c(CNC(C)(C)CCF)c1O 2220457811 YIIUDGQVRAUIET-UHFFFAOYSA-N 320.202 3.391 10 10 DGCE C[C@@H]1COCC[C@@H]1NCc1ccc(N(C)C)cc1C(F)(F)F 280521615 HTMIHKNEQIGZMG-ABAIWWIYSA-N 316.367 3.286 10 10 DGCE COc1c([N+](=O)[O-])ccc(CN2CCC(C3CCC3)CC2)c1O 826947080 NCGACDAQTRNAQB-UHFFFAOYSA-N 320.389 3.321 10 10 DGCE COC(C)(C)[C@@H](C)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 903331829 NZQVYTYMWLVZJM-ZIAGYGMSSA-N 324.440 3.126 10 10 DGCE CSc1cccc(N(C)C(=O)/C=C\c2cncc(O)c2)c1 588409065 LEXKRURGKYDODX-SREVYHEPSA-N 300.383 3.185 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1C[C@H]1C(C)C 839919695 JHJAEIZMZJOFDY-JCGIZDLHSA-N 302.462 3.400 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H](N)c1ccc(Cl)c(Cl)c1O 687731914 ZLFGFCUKNWEKMM-SECBINFHSA-N 321.204 3.224 10 10 DGCE COc1cccc([C@H](C)NCCCc2c(C)nn(C)c2C)c1O 846159534 PYAZUFMBYSYEHZ-LBPRGKRZSA-N 317.433 3.035 10 10 DGCE COc1ccc(N(C)Cc2cnc(Cl)n2C)cc1Cl 848901456 SPZLKMZNFXLCSU-UHFFFAOYSA-N 300.189 3.372 10 10 DGCE CO[C@H]1C[C@@H](CN[C@H](C)c2ccc(Br)cc2O)C1 858592624 HDHNMDNSCALXNG-FOGDFJRCSA-N 314.223 3.230 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@H]2COc3cccc(C)c3C2)c1 858459309 CFCDTMWCCVMGPA-UONOGXRCSA-N 313.397 3.364 10 10 DGCE Cc1ccc(O)c([C@H](C)NCc2nc(-c3ccccc3)n[nH]2)c1 756867103 FUTXGDBREDGEAU-ZDUSSCGKSA-N 308.385 3.337 10 10 DGCE O=C(NCc1ccc(N2CCCC2)cc1)c1ocnc1C(F)F 858453316 VBPHTMYNOPBXNF-UHFFFAOYSA-N 321.327 3.142 10 10 DGCE COc1cc(C)cc(CN2C[C@@]34CCCC[C@]3(COC4)C2)c1O 853624043 LLAUNIJWPPRICQ-RTBURBONSA-N 317.429 3.102 10 10 DGCE Oc1c(F)cc(Br)cc1[C@@H]1NCCCC1(F)F 1952815851 OHUDDCRMTBPNTG-JTQLQIEISA-N 310.113 3.354 10 10 DGCE C[C@H](N[C@H](C)c1ccnn1C)c1cc(Br)ccc1O 866612650 AVLDQCVCPIHVNM-VHSXEESVSA-N 324.222 3.300 10 10 DGCE Cc1cc(C)cc(-n2c(C)cc(C(=O)Nc3cnn[nH]3)c2C)c1 789927805 HWHSFDPYIPMVEA-UHFFFAOYSA-N 309.373 3.081 10 10 DGCE C[C@@H](CNCc1cccc(F)c1O)COCc1ccccc1 389963582 KDBBXNFWLHQXPX-AWEZNQCLSA-N 303.377 3.474 10 10 DGCE COc1cc(NS(=O)(=O)/C=C\c2ccc(C)cc2)ccc1O 797819341 GPNQTNVZJSARQL-KTKRTIGZSA-N 319.382 3.122 10 10 DGCE Oc1c(CNCCCOCc2ccccc2)ccc(F)c1F 703293699 DKSIPZPQZBQDSC-UHFFFAOYSA-N 307.340 3.367 10 10 DGCE Cc1c(C(=O)NCc2cc(O)ccc2O)oc2c(C)cccc12 1303223374 MVUBRAMZYGPXEG-UHFFFAOYSA-N 311.337 3.391 10 10 DGCE COc1cc(Cl)cc(CN[C@@H]2CCCS[C@@H]2C)c1O 1889266451 HWIKHPNNWBFQNV-BXKDBHETSA-N 301.839 3.428 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCCN(C(=O)C(F)(F)C(F)(F)F)C1 1912210757 NJSZYSTYJYMJHY-ZETCQYMHSA-N 300.231 3.123 10 10 DGCE CCN(CCSC)c1ccc(CN)c(Br)c1 1917005004 LKRDOJXQFQGJIV-UHFFFAOYSA-N 303.269 3.097 10 10 DGCE Cc1cncc(/C=C/C(=O)N2CCOc3c(C)cc(C)cc32)c1 1538075645 AQOQZBXQYXZWHI-SNAWJCMRSA-N 308.381 3.446 10 10 DGCE CCCN(Cc1ccc(C)cc1)C(=O)Cc1ccc(O)c(O)c1 1540702374 MVKRSJJUDCCDDX-UHFFFAOYSA-N 313.397 3.388 10 10 DGCE CCO[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)C1CCCC1 1624480248 TXZNPGAXHJNTQS-SFHVURJKSA-N 318.461 3.306 10 10 DGCE C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)Cc1ccc(O)c(O)c1 1629122864 MDNBNUZJVYPZRY-JTQLQIEISA-N 321.323 3.138 10 10 DGCE CC(C)COc1ccccc1NC(=O)c1cccc(O)c1O 1626213353 RNVJDNOMJRXTFL-UHFFFAOYSA-N 301.342 3.385 10 10 DGCE C[C@H](NC(=O)NCc1cc(F)cnc1Cl)c1ccccc1O 1564816278 GNCMORVLCYZWQF-VIFPVBQESA-N 323.755 3.140 10 10 DGCE COC(=O)c1cc(OCC(=O)C2CCCCC2)ccc1N(C)C 1641368796 WMNVENKFRCUYCM-UHFFFAOYSA-N 319.401 3.067 10 10 DGCE C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccccc1O 1648889571 BRRLKYCFDPWIOO-GFCCVEGCSA-N 314.341 3.110 10 10 DGCE Cc1ccn(-c2cccc(C(=O)N[C@H](C)c3ccccc3O)c2)n1 1643738564 HHYIXUZEAQFFAW-CQSZACIVSA-N 321.380 3.377 10 10 DGCE COc1cccc(C(=O)NCc2c(O)ccc3ccccc23)c1O 1647788754 RDRQMEMIGDLECL-UHFFFAOYSA-N 323.348 3.190 10 10 DGCE c1cc(N2CCC(CNCc3ccc4c(c3)CCO4)CC2)ccn1 1657649600 SKKUHHXRGNLQLU-UHFFFAOYSA-N 323.440 3.023 10 10 DGCE C[C@@H](NC(=O)c1ccc(-c2cc[nH]n2)s1)c1ccccc1O 1587447386 QYOCAVOUASILJN-SNVBAGLBSA-N 313.382 3.335 10 10 DGCE CC[C@H](C)C(=O)NCC1CC(NCc2ccc(OC)c(C)c2)C1 1689388202 PTHBXSZXTHUDHU-IGEOTXOUSA-N 318.461 3.034 10 10 DGCE CC/C(C)=C/C(=O)NCC1(NCc2ccc(OC)c(C)c2)CC1 1699651340 BEIIXXLILSVXTC-GXDHUFHOSA-N 316.445 3.098 10 10 DGCE CCN(CCO)c1ccc(CNC(C)C)cc1C(F)(F)F 163682567 BRFARFXGYSASGL-UHFFFAOYSA-N 304.356 3.022 10 10 DGCE CCOC(=O)N1CCN(/N=N/c2ccc(C)c(Cl)c2)CC1 1860486229 SPGPRCXSXYYTAS-WUKNDPDISA-N 310.785 3.421 10 10 DGCE CCC1=NN(Cc2cccc(F)c2)C(=O)/C1=C/c1cccnc1 1865672506 AXNXMCTZHQSTQT-MHWRWJLKSA-N 309.344 3.413 10 10 DGCE CCCC1=NN(CCC)C(=O)/C1=C/c1ccc(OC)c(OC)c1 1865677667 WRWNVGKDDHDKBG-SDNWHVSQSA-N 316.401 3.496 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C[C@@H](N)c1ccccc1O 1936979096 AHGQQASPCWJNAL-NWANDNLSSA-N 320.433 3.476 10 10 DGCE CCN[C@@H](CC1(NC(=O)OC(C)(C)C)CC1)c1ccccc1O 1936980594 IHLODBHEJRMXFR-AWEZNQCLSA-N 320.433 3.490 10 10 DGCE COc1ccc(N2CCN(CC3CCCC3)CC2)c(OC)c1 1175513871 ZAVZNOKOIJAKIL-UHFFFAOYSA-N 304.434 3.016 10 10 DGCE C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CC(C)(C)CN1CCN=[N+]=[N-] 1962303681 IRPXRDFAISVFON-NEPJUHHUSA-N 311.430 3.310 10 10 DGCE Oc1ccc(F)cc1CNCc1csc(C(F)(F)F)n1 1973054906 WMDMTJUNEJPLQU-UHFFFAOYSA-N 306.284 3.296 10 10 DGCE CNCc1ccc(N2C[C@H]3C[C@H]2CN(Cc2ccccc2)C3)cc1 1997896664 AFCDTHNYHNVRLQ-FPOVZHCZSA-N 321.468 3.117 10 10 DGCE CN(C)c1ccc([C@@H](N)c2ncc(Br)s2)cc1 1999536468 KUOFZITYIUOGCX-LLVKDONJSA-N 312.236 3.020 10 10 DGCE NCc1ccc(N2CC[C@H](C3CC3)C2)c(F)c1Br 400153864 GHJYWGYDUOPSIS-NSHDSACASA-N 313.214 3.283 10 10 DGCE Oc1cccc(Br)c1CNCC[C@@H]1CCSC1 704819777 BSPJAZKCKLMPGN-SNVBAGLBSA-N 316.264 3.388 10 10 DGCE Oc1ccc(Cl)cc1CN1CCO[C@H](C(F)(F)F)CC1 687289371 SAEQVYGQVDMKBQ-LBPRGKRZSA-N 309.715 3.199 10 10 DGCE CN(C)c1ccc([C@H](N)c2sncc2Br)cc1 712204181 JXYJLEYSZOTDLU-NSHDSACASA-N 312.236 3.020 10 10 DGCE CC(C)Cc1cc(N)n(Cc2cccc(C(F)(F)F)c2O)n1 2070169274 RHGQSJRDHWTLCJ-UHFFFAOYSA-N 313.323 3.437 10 10 DGCE CN(C[C@@H]1C[C@H]1C(F)F)c1ccc(CN)c(Br)c1 2041754348 FPBNPOZHGRSGEE-GXSJLCMTSA-N 319.193 3.245 10 10 DGCE CN[C@H](C)c1ccc(N2Cc3conc3C2)cc1Br 2104150887 QRKYCGFISUJTGX-SECBINFHSA-N 322.206 3.238 10 10 DGCE CNCc1ccc(N2C[C@@](C)(F)[C@](C)(Br)C2)cc1 2084857768 WWUQPIUUQDZAID-ZIAGYGMSSA-N 315.230 3.108 10 10 DGCE Cc1cnccc1CN(C)c1ccc(CN)c(Br)c1 2110632323 HFSLDJKHMBYUAU-UHFFFAOYSA-N 320.234 3.248 10 10 DGCE NCc1ccc(N2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2)cc1Br 2228683906 AWFNDSFBRUWRDG-JLUCKKNBSA-N 319.246 3.166 10 10 DGCE OCc1ccc(N2C[C@@H]3[C@@H](C(F)(F)F)C[C@H]3C2)c(Cl)c1 2281133945 SDLKVHKHGFCRRL-DCAQKATOSA-N 305.727 3.467 10 10 DGCE CCOC(=O)C1CCN(N=Nc2cc(C)ccc2OC)CC1 2330234355 ZRNMGFHILNUNNX-UHFFFAOYSA-N 305.378 3.277 10 10 DGCE CO[C@H]1CC(C)(C)CC[C@]1(Sc1nccs1)C(=O)O 2351875082 PWMMXYMWVVQBCE-TVQRCGJNSA-N 301.433 3.284 10 10 DGCE Cc1cc(N(CCO)Cc2ccccc2)ccc1CNC(C)C 302933562 ZERBTEGJRDIIHZ-UHFFFAOYSA-N 312.457 3.492 10 10 DGCE CCC(=O)Nc1cccc(NC(=O)CCc2ccc(N)cc2)c1 66153467 LNALYBOTAVEBML-UHFFFAOYSA-N 311.385 3.189 10 10 DGCE CN(Cc1ccccc1O)C(=O)NC[C@@H]1C[C@@H]1c1ccccc1 111891812 PPGQDPOIHWYPDO-DLBZAZTESA-N 310.397 3.337 10 10 DGCE C[C@H](CC(=O)NC1=NN(c2ccccc2)C(=O)C1)c1ccccc1 21024868 UOLDVXMOHMTXKO-CQSZACIVSA-N 321.380 3.047 10 10 DGCE Cc1c(CNC(=O)/C=C/c2ccc(O)c(O)c2)oc2ccccc12 180784591 HIMLFOGNIMIWPB-VQHVLOKHSA-N 323.348 3.482 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)Nc1ncccc1F 185308171 YKTPHQSCPYSGCZ-UHFFFAOYSA-N 303.337 3.370 10 10 DGCE C[C@H](N[C@H](C)c1nnc2n1CCCC2)c1ccc(N(C)C)cc1 130887058 RVORDTJWYFMRPH-UONOGXRCSA-N 313.449 3.092 10 10 DGCE C[C@H](N)c1ccc(N2CC[C@@H]3[C@@H](CCCN3C)C2)c(Cl)c1 220914265 XDJOCNJMBOCPLG-DUVNUKRYSA-N 307.869 3.280 10 10 DGCE CCC[C@H](NS(=O)(=O)Cc1ccc(N)cc1)c1cccs1 49541451 VMMJPOXPTIFKAG-AWEZNQCLSA-N 324.471 3.291 10 10 DGCE CC(C)(C)OC(=O)N[C@@H](CC(=O)O)c1cccc(Cl)c1O 238194388 JMCPAMVPHIFCLY-JTQLQIEISA-N 315.753 3.086 10 10 DGCE CC[C@H](NC[C@@H](CC(C)C)N1CCOCC1)c1ccccc1O 192935821 YLPSYYRKTQKPSA-AEFFLSMTSA-N 320.477 3.180 10 10 DGCE CCCN(Cc1ccc(N)cc1)Cc1cn2ccsc2n1 148766247 FBFSUUYXKMQSCY-UHFFFAOYSA-N 300.431 3.390 10 10 DGCE O=C(O)c1ccc(C(F)(F)F)nc1Sc1nccs1 94338301 IIYXEQIKAWPFQA-UHFFFAOYSA-N 306.290 3.406 10 10 DGCE CCCN(CCC)c1ccc(CN2CC[C@](F)(CO)C2)cc1 802660493 NDDRWJHWZXBAJB-GOSISDBHSA-N 308.441 3.219 10 10 DGCE CCN(CC)c1ccc([C@@]2(O)CCCC3(CC2)OCCO3)cc1 2163100258 PLNAJMAICFVBPD-GOSISDBHSA-N 319.445 3.428 10 10 DGCE Cc1cccc(-n2c(C)cc(C(=O)N3CCO[C@@H]4C[C@H]43)c2C)c1 816898630 FBULMDIEKKDJAQ-QZTJIDSGSA-N 310.397 3.016 10 10 DGCE COc1cc(CN(C)c2ccc([C@@H](C)N)c(Cl)c2)sn1 722396724 SNVUAGDBDYHEHF-SECBINFHSA-N 311.838 3.461 10 10 DGCE CCOCc1cc(CNCc2cnc(CC)o2)ccc1OC 825079043 KKHCJZCZEJLAMO-UHFFFAOYSA-N 304.390 3.072 10 10 DGCE C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@H](C)C1O 827152051 PTTAZDSYLSVNCY-IUCAKERBSA-N 304.217 3.148 10 10 DGCE CN(C)c1ccc([C@H]2CC(c3cc(F)ccc3F)=NN2)cc1 821173157 HGJQSJGRPNHFEW-MRXNPFEDSA-N 301.340 3.470 10 10 DGCE Cc1ncccc1/C=C/C(=O)NCc1ccc(N2CCCC2)cc1 822495521 JAWOJBAYXVWVOQ-DHZHZOJOSA-N 321.424 3.320 10 10 DGCE C[C@@H](F)CCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 838619940 PWNMAJYDDJRKSV-CYBMUJFWSA-N 307.413 3.175 10 10 DGCE Cc1cc(O)c(CN2C[C@@H](N3CCCC3)C[C@H]2C)c(Cl)c1 840948010 JIXYPYLQJQYIJB-KGLIPLIRSA-N 308.853 3.413 10 10 DGCE Cc1cc(O)c(CN(C)CCCNC(=O)C2CCC2)c(Cl)c1 840941880 PBHOPZXITAUORV-UHFFFAOYSA-N 324.852 3.092 10 10 DGCE C[C@H](NCC[C@@H](C)[S@](C)=O)c1cc2c(cc1O)CCCC2 756763178 VHLFSKYDFBAORW-BHVCSQLQSA-N 309.475 3.079 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@H](C)c3cncc(F)c3)C2)cc1 850347335 QJWXYMCDMPZMCL-CZUORRHYSA-N 315.392 3.159 10 10 DGCE CCC/C(C)=C\C(=O)NCc1ccc(N2CCC(O)CC2)cc1 856210466 CTNODJCTXWEYTN-SQFISAMPSA-N 316.445 3.010 10 10 DGCE COc1cc(C)cc(CN2CCC[C@]3(CCCOC3)C2)c1O 754736216 INZUWIGAHCMAFV-SFHVURJKSA-N 305.418 3.102 10 10 DGCE Cc1cc(O)c([C@H]2C[C@H](N)CN2C(=O)OC(C)(C)C)cc1C 1953030444 CJLIKRNUQXLMDQ-GXTWGEPZSA-N 306.406 3.018 10 10 DGCE FC1(F)CCC[C@@H](NCc2ccc(N3CCOCC3)cc2)C1 767927805 CTWIXOUKDIWECN-OAHLLOKOSA-N 310.388 3.191 10 10 DGCE Cc1ccc(O)c(CNC(=O)C(C)(C)c2ccccc2F)c1 862758916 QINDYTWCHOOZSY-UHFFFAOYSA-N 301.361 3.434 10 10 DGCE COC(=O)c1coc([C@H](C)Sc2ncc(Cl)s2)n1 865372287 OQPQLTXLFBBFJI-YFKPBYRVSA-N 304.780 3.424 10 10 DGCE COC(=O)c1cnc(SC[C@@H](OC)C2CCCC2)s1 1350117340 DPLOYHCCUULBKO-SNVBAGLBSA-N 301.433 3.227 10 10 DGCE CCCN(Cc1ccc(-n2cncn2)cc1)c1ccc(CN)cc1 775140675 POWPYZOQYTVLMS-UHFFFAOYSA-N 321.428 3.143 10 10 DGCE c1cc2cc(NCc3ccc(N4CCOCC4)cc3)ncc2[nH]1 787897096 SDKAUEQVKYYIET-UHFFFAOYSA-N 308.385 3.012 10 10 DGCE C/C(=C\C(=O)N(CC(F)(F)F)c1ccccc1)c1cnccn1 1125864869 GYUDUFRDCJJZCS-FMIVXFBMSA-N 321.302 3.475 10 10 DGCE Oc1c(F)cccc1CNC[C@H]1CCCN1Cc1ccccc1 390601171 XIEUTQNEBUWTQF-QGZVFWFLSA-N 314.404 3.286 10 10 DGCE CN(C(=O)Cc1ccc(N)cc1)c1ccc(Br)cc1 723919625 LMUPLPUXBMEOSP-UHFFFAOYSA-N 319.202 3.237 10 10 DGCE C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@@]1(C)C(=O)O 710280063 REIPCLLIEAQNGM-XLKFXECMSA-N 318.200 3.242 10 10 DGCE CCN(C)c1ccc(CN2CCC(c3cncn3C)CC2)cc1 1308167184 OCLCZZVYVDRZQQ-UHFFFAOYSA-N 312.461 3.256 10 10 DGCE C[C@H](NC(=O)c1c(Cl)ccnc1F)c1ccc(N(C)C)cc1 1347174815 NUDMFSISBUHTNO-JTQLQIEISA-N 321.783 3.431 10 10 DGCE c1cc(N2CCCC2)ccc1CNC[C@H]1CC[C@H](C2CC2)O1 1355362032 IFOBRMQTVAKSHM-RTBURBONSA-N 300.446 3.334 10 10 DGCE Cc1cc(CC(=O)N=c2cc[nH]cc2)c(C)n1-c1ccccc1 1356544649 ZHPSWXOURBDJPK-UHFFFAOYSA-N 305.381 3.092 10 10 DGCE CCN(CC)c1ccc([C@@H](N)c2n[nH]cc2Br)cc1 2134205280 XYXJLEIHFDFNSU-CYBMUJFWSA-N 323.238 3.067 10 10 DGCE COC(=O)c1cc2cc(NC(=O)c3cc(O)cs3)ccc2o1 1625766463 JOCNDDCTNFWUPM-UHFFFAOYSA-N 317.322 3.239 10 10 DGCE CC(C)CN1CCC[C@@H]1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 1633315526 RYILQBXTYFQXGA-MAUKXSAKSA-N 317.477 3.050 10 10 DGCE CC1(C)CCC[C@H]1CCNC(=O)/C=C/c1ccc(O)c(O)c1 1633668021 WAFOADHMMLTYOH-OWNNVSBGSA-N 303.402 3.444 10 10 DGCE Cc1nnc(-c2ccc(C(=O)N[C@@H](C)c3ccccc3O)cc2)o1 1648892310 VIBASRHSONADRH-NSHDSACASA-N 323.352 3.242 10 10 DGCE C[C@@]1(C(=O)NCc2c(O)cccc2O)CCCc2ccccc21 1652625801 MLUKAVBHNBHLAR-LJQANCHMSA-N 311.381 3.008 10 10 DGCE Cc1cc(C)cc(CNC(=O)NCc2c(O)cccc2F)c1 1687145334 OVZRIYGFQVLZKZ-UHFFFAOYSA-N 302.349 3.148 10 10 DGCE CC[C@@H](NC(=O)NCc1ccccc1O)c1ccccc1F 1682329371 MIQHTSHMTULIFN-OAHLLOKOSA-N 302.349 3.482 10 10 DGCE CCCNCc1ccc(N2CCN(C)[C@H](CC)C2)c(Cl)c1 164075449 GISWSKKKDMAVNH-OAHLLOKOSA-N 309.885 3.370 10 10 DGCE Cc1c(I)cc(CN=[N+]=[N-])c(C)c1N 1887519756 JDVJECOPAJIYTA-UHFFFAOYSA-N 302.119 3.301 10 10 DGCE C[C@H]1[C@H](NCc2cc(Br)cc(F)c2O)C1(F)F 1948221302 OMUXPXYKGNLLKX-RRAGMBSWSA-N 310.113 3.037 10 10 DGCE CC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)c1ccc2c(c1)CCN2C 1977939507 QLUZIHXAWINYHQ-GDBMZVCRSA-N 320.433 3.016 10 10 DGCE C[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CN1CCCCN=[N+]=[N-] 1982246800 ZIZKXSWVKWTTMY-RDBSUJKOSA-N 323.441 3.264 10 10 DGCE Nc1ccc(CN(C(=O)CCOCc2ccccc2)C2CC2)cc1 1997690126 YNBWUVJSWZNKGJ-UHFFFAOYSA-N 324.424 3.367 10 10 DGCE C[C@H](N)c1ccc(N2C[C@@H](F)C[C@@H]2C)c(Br)c1 1997694639 XBHDZSRVFCWGCT-QXEWZRGKSA-N 301.203 3.406 10 10 DGCE Cc1sc(Br)nc1CN1CCC[C@@H]1CN=[N+]=[N-] 2009447606 ZIIRSDRWUYUDFA-MRVPVSSYSA-N 316.228 3.489 10 10 DGCE CO[C@@H](C)CCN(C)Cc1ccc(Br)cc1O 2009689164 HRYGVXGTSSJDNK-JTQLQIEISA-N 302.212 3.012 10 10 DGCE CCCN[C@H](C)c1cnc(SCC(=O)N(CC)CC)s1 2159808184 VZPOLEYYPLGJJN-LLVKDONJSA-N 315.508 3.164 10 10 DGCE CCCN[C@H](C)c1cnc(Sc2ncc(C)c(O)n2)s1 2159808024 UDUDMDHJGTZKKZ-SECBINFHSA-N 310.448 3.159 10 10 DGCE C[C@@]1(NC(=O)Nc2ccc(N)cc2)CCN(Cc2ccccc2)C1 405956623 LCONPMPBASQWLS-LJQANCHMSA-N 324.428 3.055 10 10 DGCE CS[C@@H]1CC[C@H]1NCc1cc(Br)cc(F)c1O 715739309 SNJBTBYKMSNCMF-GHMZBOCLSA-N 320.227 3.277 10 10 DGCE CC(C)N[C@]1(C(=O)O)CCC[C@@H](Sc2nccs2)[C@@H]1C 2175822033 BDXPXXOWDGVISK-MISXGVKJSA-N 314.476 3.245 10 10 DGCE CCNCc1ccc(N(C)C[C@H]2C[C@H]2F)c(Br)c1 2068042220 AQRAQIQGKDXUFO-DGCLKSJQSA-N 315.230 3.353 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)c2nc(Cl)sc2Cl)C1 2078399275 NMRAFGSLWWNDHL-YFKPBYRVSA-N 306.178 3.222 10 10 DGCE CN[C@@H](c1ccccc1O)c1cccc(OC)c1Br 2107909189 XHIPGVBTSCXJFZ-HNNXBMFYSA-N 322.202 3.472 10 10 DGCE C[C@@H]1c2cccn2CCN1c1ccc(CO)c(Br)c1 2114549906 VYIYQWOAWOBXOS-LLVKDONJSA-N 321.218 3.324 10 10 DGCE C[C@H](c1ccc(Cl)cc1O)N1CC[S@@](=O)C(C)(C)CC1 2203336544 NAHSVUUPSDEECJ-BIBXISHDSA-N 315.866 3.340 10 10 DGCE C[C@H](NCc1ccc(N)cc1)[C@@H]1CCCN1C(=O)OC(C)(C)C 2244481460 HRHRPRUVNPWWCL-BBRMVZONSA-N 319.449 3.146 10 10 DGCE CSc1ncc(CN[C@@H]2CCC[C@H]3CSC[C@H]32)s1 2257098619 CVYYIAVRRBIFCZ-MVWJERBFSA-N 300.518 3.486 10 10 DGCE [N-]=[N+]=NCCNC(=O)c1cc(Br)c(F)cc1Cl 2249396747 VCZAHKBRUGENRJ-UHFFFAOYSA-N 321.537 3.282 10 10 DGCE CCOC(=O)c1cccnc1NCc1cnc(SC)s1 2284495767 CDHAOPFDSQDQCQ-UHFFFAOYSA-N 309.416 3.049 10 10 DGCE Cc1cc(O)c([C@@H](C)N2CC[S@](=O)C(C)(C)C2)cc1Cl 2286455796 KVGQFNGWVSACSF-GIPWTMENSA-N 315.866 3.258 10 10 DGCE CC1CCN(C2=NC(=O)C(=Cc3cccc(O)c3)S2)CC1 2297312906 UHHOLXFLPFNTAH-UHFFFAOYSA-N 302.399 3.094 10 10 DGCE CC(C)[C@H](C)OC(=O)C=Cc1ccc(N2CCOCC2)cc1 2300142178 UWUIWKKWSCTSQX-HNNXBMFYSA-N 303.402 3.124 10 10 DGCE CNCc1ccc(N2CC[C@H]3C=C[C@@H]2C3)cc1Br 2311398040 OIKXBVJWTPQDSH-DGCLKSJQSA-N 307.235 3.323 10 10 DGCE COc1ccc(C2=NN(C)C(=O)C2=Cc2ccc(F)cc2)cc1 2332140107 CKTAVQZDQOUNNG-UHFFFAOYSA-N 310.328 3.094 10 10 DGCE CN(c1ccc(CN)cc1Br)[C@@H]1C[C@@H]2C[C@H]1[C@H]1C[C@H]21 2330299669 MKPIZOQEQWIEHZ-CGOYYEKTSA-N 321.262 3.389 10 10 DGCE COC[C@H]1CCCN1C(=O)c1cc(C)n(-c2ccccc2)c1C 216070446 FLWYUYDUYXJBGO-QGZVFWFLSA-N 312.413 3.345 10 10 DGCE Cc1ccc(CN(C)c2cc(C)n(C)n2)c(O)c1Br 2352640167 GDASCZXLWBOYCC-UHFFFAOYSA-N 324.222 3.141 10 10 DGCE Cc1ccc(CN(C)c2cccnc2N)c(O)c1Br 2352666195 SFCRMFODSKQCLN-UHFFFAOYSA-N 322.206 3.077 10 10 DGCE COc1ccc(N2CC[C@@H](O)C[C@@H]2C(F)(F)F)cc1Cl 2361532267 HRRYQASJPCQZCX-BXKDBHETSA-N 309.715 3.241 10 10 DGCE CCOc1ccc(O)c(CN[C@H](C)CN2CCCCCC2)c1 187567535 GAEHYHLUGODMPF-OAHLLOKOSA-N 306.450 3.145 10 10 DGCE COCc1cc(F)ccc1NC(=O)N(C)Cc1ccccc1O 184722609 TXFDHJARVUHZKX-UHFFFAOYSA-N 318.348 3.342 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CCO[C@H]3CCC[C@H]32)c1O 227156246 KPVKPOHRXDEQQL-CABCVRRESA-N 309.793 3.002 10 10 DGCE CCCCCOCC(=O)NCc1ccc(N2CCCC2)cc1 194940716 SQPGQTYIDBYJCW-UHFFFAOYSA-N 304.434 3.110 10 10 DGCE C[C@@H](C(=O)Nc1ccc(N)cc1)[S@@](=O)c1ccc(Cl)cc1 40960898 WCKZAMTWMRPRPU-CWKPULSASA-N 322.817 3.057 10 10 DGCE CC[C@H]1CN(c2cc(Cl)c(OC)cc2OC)[C@@H](CC)CN1 86220359 WZEKANAAWBBZST-RYUDHWBXSA-N 312.841 3.324 10 10 DGCE CCC[C@]1(COC)CCCN1Cc1cc([N+](=O)[O-])ccc1O 194935688 ZEEWQQLNTREGDR-MRXNPFEDSA-N 308.378 3.082 10 10 DGCE C[C@H]1CCC[C@@H](C)N1NCc1cc(Br)ccc1O 235559984 GPBUYQWPMCJFEC-PHIMTYICSA-N 313.239 3.422 10 10 DGCE COc1ccc(CCN[C@H](C)c2ccc(Cl)cc2O)cn1 527990595 PUPPPXPQJZZAGV-LLVKDONJSA-N 306.793 3.343 10 10 DGCE CCN[C@@H]1C(=O)Nc2cc(N(C)[C@H](C)C(C)C)c(Cl)cc21 252606046 QEZRYDXCBIQLMJ-BMIGLBTASA-N 309.841 3.423 10 10 DGCE Oc1ccc(Cl)c(F)c1CN1CCOC[C@H]1CC(F)F 809712524 PPPLDMYIPMWBMF-MRVPVSSYSA-N 309.715 3.041 10 10 DGCE CCC(CC)(C(=O)OCC(=O)C(C)=O)c1ccc(Cl)cc1 808512746 OWRPYGOKDRHJBB-UHFFFAOYSA-N 310.777 3.099 10 10 DGCE COc1ccccc1[C@@H](O)CNCc1ccc2ccccc2c1O 816537963 ZQNCSDMHILXAES-SFHVURJKSA-N 323.392 3.377 10 10 DGCE Cc1cc(Cl)cc(CN2CCOc3ccc(O)cc3C2)c1O 827655915 FCJVFBFYKZCONG-UHFFFAOYSA-N 319.788 3.454 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC1(CF)CCOCC1 824691171 WSNCZRZVOHFJFO-UHFFFAOYSA-N 308.180 3.307 10 10 DGCE COc1ccc(N2CC[C@H](CN[C@H]3CC[C@@H]3SC)C2)cc1 822494441 OTVJNGIIJLHSQL-COXVUDFISA-N 306.475 3.005 10 10 DGCE CC[C@@H](CC(F)F)C(=O)NCc1ccc2c(c1)CCCN2C 837377934 NYHXPEAEPHMFJJ-ZDUSSCGKSA-N 310.388 3.367 10 10 DGCE C[C@@H](NCC1(CF)CCOCC1)c1cc(F)cc(F)c1O 834886641 UXPBIPZXKCCLFY-SNVBAGLBSA-N 303.324 3.087 10 10 DGCE CC(C)(C)OC(=O)N1CCC(=O)[C@@H]1c1cc(Cl)ccc1O 1951852173 CGBQVAPDLFBWDL-ZDUSSCGKSA-N 311.765 3.297 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@H](CC(=O)O)C2CCCC2)cc1 904043901 XNJJVKARLVNXKM-OOFWQKGWSA-N 316.445 3.389 10 10 DGCE Oc1cccc(Cl)c1CN1CCC[C@@H](C2CCNCC2)C1 849350544 PUNKVRWSFSMRFX-CQSZACIVSA-N 308.853 3.257 10 10 DGCE Cc1ccc(/C=C/C(=O)N2CCCN(C)c3ccccc32)cn1 754297672 JVRXOHRWWMMOQO-ZHACJKMWSA-N 307.397 3.276 10 10 DGCE C[C@H](NC[C@@H]1Cc2ccccc2CO1)c1cc(F)ccc1O 858453920 QLVSJOZJAKYGHZ-LRDDRELGSA-N 301.361 3.323 10 10 DGCE C[C@@H](CNC(=O)NCc1c(O)cccc1F)Cc1cccs1 920444136 WLLSJIMOKFFLRF-LLVKDONJSA-N 322.405 3.271 10 10 DGCE CCc1cc(CN2CCC3(COC3)C2)c(O)c(C(C)(C)C)c1 853595723 VWOYPQHPPDFFBL-UHFFFAOYSA-N 303.446 3.474 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)NC[C@@H]1CCC[C@H]2C[C@@H]21 852565562 OVEJTHBWFIAPQL-MJVIPROJSA-N 308.809 3.281 10 10 DGCE CC(C)C[C@@H]1C[C@H](NC(=O)N[C@@H](C)c2ccccc2O)CCO1 868479849 LKCUIUHFTXQGDW-RRFJBIMHSA-N 320.433 3.346 10 10 DGCE CN(C)c1ccc(CNCC[C@H]2COc3ccccc3O2)cc1 765266040 LVNDODDINLHUTC-KRWDZBQOSA-N 312.413 3.072 10 10 DGCE CC(C)[C@H](C(=O)NCc1ccc(O)c(O)c1)c1ccc(F)cc1 778927250 NCHBXQJAUOBIIE-KRWDZBQOSA-N 317.360 3.293 10 10 DGCE CN(C)c1ccc(CNCc2ccc(-c3cc[nH]n3)o2)cc1F 788510180 WATIYKJEYSTZLS-UHFFFAOYSA-N 314.364 3.165 10 10 DGCE CCN(c1ccc([C@@H](C)O)cc1Br)C(C)(C)CO 688349856 AHNUEDANEPNVDC-SNVBAGLBSA-N 316.239 3.100 10 10 DGCE CCc1cccc(CNCC[C@@H](C)NC(=O)OC(C)(C)C)c1O 691506147 BGDGBNDGGAIKOO-CYBMUJFWSA-N 322.449 3.348 10 10 DGCE Cc1cc(C(=O)N[C@@H](C)c2ccccc2O)cc([N+](=O)[O-])c1 1151892743 YMFRXLXNVUJSBV-NSHDSACASA-N 300.314 3.100 10 10 DGCE CN(CCN=[N+]=[N-])C(=O)c1cc(Cl)ccc1Br 1912177362 IOCOWLSOOUDUDR-UHFFFAOYSA-N 317.574 3.485 10 10 DGCE Cc1ccnc(C(=O)N2CCC(N=[N+]=[N-])CC2)c1Br 1912167491 LJGAKYNFEGNHLA-UHFFFAOYSA-N 324.182 3.067 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)Cc1ccccc1 1351673576 KKWSPMXBGQSOHQ-UHFFFAOYSA-N 308.425 3.488 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)NCCN2CC=CCC2)cc1 1448788554 SHEVOKVUKXZOOQ-UHFFFAOYSA-N 323.440 3.086 10 10 DGCE CC[C@H](C)Oc1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 1450254561 KMWZLFKLJNWUHF-LBPRGKRZSA-N 315.369 3.456 10 10 DGCE Nc1ccc(NC(=O)N(Cc2ccccc2)[C@H]2CCOC2)cc1 1915485416 MLJGETXJCHGUKU-KRWDZBQOSA-N 311.385 3.092 10 10 DGCE Cc1ccc(C(=O)NOC(C)C)cc1-n1c(C)cc(C=O)c1C 1298553899 DQHRFNWWOCNBEG-UHFFFAOYSA-N 314.385 3.285 10 10 DGCE CCN(Cc1c(Br)cnn1C)c1ccc(OC)cc1 1616006956 KARRRSJFQKWWEV-UHFFFAOYSA-N 324.222 3.218 10 10 DGCE C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)cc1)c1ccccc1O 1635799043 NAYXNUYNBNHAPJ-GFCCVEGCSA-N 307.353 3.273 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)c1cc2ccccn2c1 1639621521 IPNMHGXKPYUDEA-UHFFFAOYSA-N 317.348 3.123 10 10 DGCE Cc1cc(CNC(=O)c2cncc(O)c2)c(C)n1-c1ccccc1 1643370768 WJAKKPYFWUNSON-UHFFFAOYSA-N 321.380 3.125 10 10 DGCE COc1cc(C)cc(CN(C)Cc2ccc(Cl)nc2)c1O 163895869 UIZXEOTUWSQKIY-UHFFFAOYSA-N 306.793 3.390 10 10 DGCE Cc1cccc([C@H](c2ccc(N(C)C)cc2)N2CCNCC2)c1 19931520 SRFIHDXDCYXGQX-FQEVSTJZSA-N 309.457 3.056 10 10 DGCE CN[C@H](c1ccccc1O)[C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 1936976520 TXRCXUBLTGZQKX-LRDDRELGSA-N 320.433 3.156 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1[C@H](N)c1ccccc1O 1936977211 VRKOQFTUFFYKMC-BJJXKVORSA-N 320.433 3.476 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C[C@H](N)c1ccccc1O 1936981457 AHGQQASPCWJNAL-AEGPPILISA-N 320.433 3.476 10 10 DGCE COc1ccc(CNc2ccc(Br)nc2C)c(O)c1 234940918 QMAKWFUFCZLXFZ-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE CCOc1cccc(CNCC(=O)OC2CCC(C)CC2)c1O 1857872280 FGEZPZMYAYOTTA-UHFFFAOYSA-N 321.417 3.002 10 10 DGCE Cc1cc(=O)c(OCc2ccccc2)cn1Cc1ccc(N)cc1 1857915455 YEBVTZWKIAZEJQ-UHFFFAOYSA-N 320.392 3.366 10 10 DGCE C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)[C@@H](O)c1ccc(N(C)C)cc1 1895694026 XTIFHSUPWOBXFF-HNJNHCNJSA-N 320.433 3.089 10 10 DGCE CC(C)CN(Cc1ccccc1)c1ccc2c(c1)N(C)C(=O)[C@@H]2N 1946781759 YINIVQILCWIEQU-LJQANCHMSA-N 323.440 3.325 10 10 DGCE Cc1ccc(O)c([C@H](C)N[C@@H]2C[C@H]2CNC(=O)OC(C)(C)C)c1 1973223470 XEJAAVPEFHDZOH-KCQAQPDRSA-N 320.433 3.264 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)C1CC(OCc2ccccc2)C1 1976702840 BEGUFEDQCFXSLF-HWOWSKLDSA-N 314.389 3.283 10 10 DGCE CN(CC(=O)Nc1ccc(N)cc1)Cc1cc(Cl)cs1 2150397763 VOAOBJMPYMKRHV-UHFFFAOYSA-N 309.822 3.054 10 10 DGCE N[C@@H]1CCc2cc(N3CCCN(Cc4ccccc4)CC3)ccc21 2012701371 PNDXHAVNGPGEHT-OAQYLSRUSA-N 321.468 3.345 10 10 DGCE OCc1ccc(N2CC(SC(F)F)C2)c(Br)c1 2019940765 GQKIRYPZDXLMQI-UHFFFAOYSA-N 324.190 3.086 10 10 DGCE CCNCCN(C)[C@@H](CC)c1cc(Br)ccc1O 2032960255 WNNXVPSBASOBIJ-ZDUSSCGKSA-N 315.255 3.147 10 10 DGCE C[C@H]1[C@H](CN(C)c2ccc(CN)cc2Br)C1(F)F 2036077087 IVKUZCPYGSKSKT-WPRPVWTQSA-N 319.193 3.245 10 10 DGCE COc1cc(Cl)cc(CNCC[C@@H]2CCSC2)c1O 704800774 YKUJDZQZNXOCKG-SNVBAGLBSA-N 301.839 3.287 10 10 DGCE C[C@H]1C[C@]1(C)CNCc1cc(Br)cc(F)c1O 715736860 IILRRBJKSAQABI-ISVAXAHUSA-N 302.187 3.430 10 10 DGCE CC(C)Cc1cnn(Cc2cc([N+](=O)[O-])ccc2O)c1Cl 2070289195 ASRQAXCCJWUPOZ-UHFFFAOYSA-N 309.753 3.397 10 10 DGCE NCc1c(C2CC2)nn(Cc2cc(F)ccc2O)c1C(F)F 2078984606 WERLYQKBVDSRTQ-UHFFFAOYSA-N 311.307 3.050 10 10 DGCE Cc1ccc(CN(CCCO)C(C)C)c(O)c1Br 2327790010 PXHMQBIXKDRSFH-UHFFFAOYSA-N 316.239 3.056 10 10 DGCE CC[C@@]12C[C@H]1CN(c1ccc(CNC)cc1Br)C2 2048615005 VTBGQMKQDQXGMM-WFASDCNBSA-N 309.251 3.405 10 10 DGCE O=C(c1ccncc1Br)c1cccc2c1NCC2 2080154368 MHOORWUGTORVDH-UHFFFAOYSA-N 303.159 3.043 10 10 DGCE C[C@H]1C[C@@H](C)NCCN1Cc1cc(Cl)cc(Cl)c1O 2108181645 KEHYBQSRCBWIMG-ZJUUUORDSA-N 303.233 3.271 10 10 DGCE CNCc1ccc(N(C)[C@@H]2[C@@H]3C[C@H]3[C@H]3C[C@H]32)cc1Br 2110309975 QMQGDLVGMRWMKY-SGPHBRAGSA-N 321.262 3.259 10 10 DGCE CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)NCc1ccco1 2294492835 DHANNINTTFUNTD-UHFFFAOYSA-N 313.332 3.205 10 10 DGCE CCc1ccc(C=C2SC(=S)N(CCCOC)C2=O)cc1 2296522375 PKDQRTDIVUJFTQ-UHFFFAOYSA-N 321.467 3.487 10 10 DGCE O=C1C(=Cc2ccccc2)SC(=S)N1Cc1ccon1 2300341973 ZLTJIQMQZNTWIB-UHFFFAOYSA-N 302.380 3.076 10 10 DGCE C[C@H](N)c1ccc(N(CCF)CCF)c(Br)c1 2301643244 CIAXPLWUYMAJBB-VIFPVBQESA-N 307.182 3.214 10 10 DGCE Cc1ncsc1C=CC(=O)N1C[C@H](C)Oc2cc(F)ccc21 2310093451 NACPUFIZDGNMRQ-JTQLQIEISA-N 318.373 3.418 10 10 DGCE CCOC(=O)[C@H]1CCCN(N=Nc2cccc(C(C)=O)c2)C1 2330202986 ONJDPROSXBDWSG-AWEZNQCLSA-N 303.362 3.163 10 10 DGCE CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 109088331 HWEKWUKTUMHKKS-UONOGXRCSA-N 317.335 3.433 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N(C)Cc2cnccn2)cc1 172166506 MKPUUHYVEJVDAT-UHFFFAOYSA-N 320.396 3.156 10 10 DGCE Cc1cc(N(C)[C@@H]2CCN(Cc3ccccc3)C2)ccc1CN 309813660 XHBXQAGQGIXLCG-HXUWFJFHSA-N 309.457 3.164 10 10 DGCE Cc1cc(C(=O)N(CC(=O)O)C(C)C)c(C)n1-c1ccccc1 178073151 AQOOTCLTVGPYCB-UHFFFAOYSA-N 314.385 3.029 10 10 DGCE O=C1N(CC2CC2)[C@H](c2cccc(Cl)c2O)NC12CCCC2 178541172 STTNBUVMOLFBRJ-OAHLLOKOSA-N 320.820 3.199 10 10 DGCE COc1ccc(O)c([C@@H](C)NCc2ccc(CN(C)C)cc2)c1 184895445 MKMLIUBWMWTHLB-CQSZACIVSA-N 314.429 3.313 10 10 DGCE Cc1cc2c(n1-c1ccc(Br)cn1)CCCC2=O 44315522 FZVOWGUJFNTXIV-UHFFFAOYSA-N 305.175 3.462 10 10 DGCE C[C@@H]1[C@@H](NCc2ccccc2O)CCCN1C(=O)OC(C)(C)C 189520901 VKDSPHKENGNHLX-HIFRSBDPSA-N 320.433 3.270 10 10 DGCE CCN(Cc1ccc(N)cc1)c1ncccc1Br 42376071 NQEQJEGRQAHMCO-UHFFFAOYSA-N 306.207 3.453 10 10 DGCE COc1ccc(N(C)Cc2ccc(C#N)c(F)c2)c(OC)c1 192126424 VUAJKLSKSUWSCT-UHFFFAOYSA-N 300.333 3.351 10 10 DGCE C[C@@H](N)c1ccc(N2CC[C@]3(O)CCCC[C@H]3C2)c(Cl)c1 250905056 QCYSPHKLACSKSJ-HACGYAERSA-N 308.853 3.491 10 10 DGCE CC[C@H](NCc1ccnn1C)c1ccc(C(F)(F)F)cc1O 810208759 FPBDIWIQIUYZHG-ZDUSSCGKSA-N 313.323 3.385 10 10 DGCE CCCc1ncc(CNCc2cc(Cl)cc(OC)c2O)o1 825086041 PARFNJVDZBXYHU-UHFFFAOYSA-N 310.781 3.285 10 10 DGCE COc1ccc(O)c(CNCC(F)(F)c2cccc(F)c2)c1 826915714 UAZAWDMQZHONQO-UHFFFAOYSA-N 311.303 3.422 10 10 DGCE CCC[C@]1(CO)CCN(C/C=C/c2ccc(N(C)C)cc2)C1 835051874 AWHUXQVCZUGKRA-UEKDZROGSA-N 302.462 3.250 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@@H](CCO)Cc2ccccc2)cc1 835052632 POMASNLZMWJQDP-NSDNCLLMSA-N 324.468 3.349 10 10 DGCE C[C@H](NC(=O)C1CC2(C1)CC2(F)F)c1ccc(N(C)C)cc1 832436686 NNHGDQXVUGSYMH-XOMBGVMMSA-N 308.372 3.365 10 10 DGCE CC(C)COc1ccc(NC(=O)c2cc(O)c(O)c(O)c2)cc1 586737053 JEAMEZHKRVELHA-UHFFFAOYSA-N 317.341 3.091 10 10 DGCE COC[C@H](CC(C)(C)C)N[C@@H](C)c1cc(C(=O)OC)ccc1O 848564233 KDQHBDXJNSMONL-JSGCOSHPSA-N 323.433 3.281 10 10 DGCE C[C@H](NCc1cccc(Cl)c1O)[C@@](C)(O)c1ccccc1 846039449 SUFCXKTYRVIKFJ-YVEFUNNKSA-N 305.805 3.431 10 10 DGCE Cc1cc(Br)cc(CN2CC3(C2)CC3(F)F)c1O 848922467 TXCOBNOYMRIINY-UHFFFAOYSA-N 318.161 3.304 10 10 DGCE COc1ccc(N2CC[C@@H](NC3C[C@@H]4CC[C@H](C3)S4)C2)cc1 926681293 XUCZJTZTFSHEOS-HQNOKGKPSA-N 318.486 3.290 10 10 DGCE CC(C)(C)OC(=O)Nc1cccc([C@](C)(N)C(F)F)c1O 1952937277 FITBEXGEDSQEPJ-AWEZNQCLSA-N 302.321 3.178 10 10 DGCE C[C@H](N[C@@H](C)c1ccnn1C)c1cc(Br)ccc1O 866612649 AVLDQCVCPIHVNM-UWVGGRQHSA-N 324.222 3.300 10 10 DGCE CN(C)c1ccc(/C=C/CNc2ccc(CCC(N)=O)cc2)cc1 1117782627 MSAVRRGZPNEAKM-ONEGZZNKSA-N 323.440 3.296 10 10 DGCE COc1cc(O)c(CNCc2ccc3ccccc3n2)cc1OC 776086308 FHAUEGFQIYQHNF-UHFFFAOYSA-N 324.380 3.247 10 10 DGCE Cc1ccc(/C=C/C(=O)NCc2ccc3c(c2)CCCN3C)cn1 777852671 FQQRKGMTYFBBGK-CSKARUKUSA-N 321.424 3.102 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)C(C)(C)C(F)(F)F)c1 1123669070 KOKMMBYMVXRURH-QMMMGPOBSA-N 305.296 3.167 10 10 DGCE CCCN(CCC)c1ccc(CN2C[C@@H]3CN(C)C[C@@H]3C2)cc1 787304316 KFIVOTLEUAPUJJ-KDURUIRLSA-N 315.505 3.306 10 10 DGCE CC1=C[C@@H](C)CN(C(=O)NCCCSc2nccs2)C1 797475324 ATUULIMSFSZKGD-LLVKDONJSA-N 311.476 3.233 10 10 DGCE CC[C@H](NC1CSC1)c1cc(Br)ccc1O 706452113 NQGNVIFYFONGDP-NSHDSACASA-N 302.237 3.311 10 10 DGCE CC[C@@H]1[C@H](Sc2nccs2)CC[C@@]1(CO)NC(C)C 2122619569 VFNXKFHFESKKIT-BZPMIXESSA-N 300.493 3.153 10 10 DGCE Oc1cccc(Br)c1CNc1cc2n(n1)CCCC2 1328703015 MAEXUQOUNKLMRE-UHFFFAOYSA-N 322.206 3.300 10 10 DGCE CN(C)c1ccc(/C=C\CN2CC[C@@H]3OCCC[C@@H]3C2)cc1 1344439552 WKVJHZFYGMYAEJ-DUVWHUSGSA-N 300.446 3.267 10 10 DGCE [N-]=[N+]=NCCC[S@](=O)Cc1ccccc1Br 1902037702 VUWSKRMCROVESN-INIZCTEOSA-N 302.197 3.398 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@](C)(NCc2ccc(F)cc2O)C1 1904025628 YBRYQRAURHNSIZ-QGZVFWFLSA-N 324.396 3.020 10 10 DGCE CCS[C@@H]1CCC[C@H]1NCc1cc(F)cc(C(C)=O)c1O 1460080761 FZNUMBXOAQJKHJ-HUUCEWRRSA-N 311.422 3.498 10 10 DGCE CSCc1ccc(CNC(=O)c2c(F)ccc(O)c2O)cc1 1611294488 ZVAVRMXVNDAWKM-UHFFFAOYSA-N 321.373 3.030 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(F)cc(F)c1O 1540440368 FOPKHHRFBPYOHK-UHFFFAOYSA-N 320.339 3.009 10 10 DGCE CC[C@@H](CNC(=O)CC1CCC1)NCc1ccc(OC)c(C)c1 1715054011 SHIIVXJKAJEGNX-KRWDZBQOSA-N 318.461 3.178 10 10 DGCE O=C1N=C(c2ccccc2)S/C1=C1/C(=O)Nc2ccccc21 1407146 APEBCTHIWKKBHI-BUHFOSPRSA-N 306.346 3.070 10 10 DGCE O=C(c1cccc(O)c1O)N(CC1CC1)c1cccc(F)c1 1642776156 MSMWUACINJJWFI-UHFFFAOYSA-N 301.317 3.294 10 10 DGCE COc1ccc(N(CC(C)C)C[C@@H]2CCC3(COC3)O2)cc1 1643477012 ZCTMJIGERMLVMD-KRWDZBQOSA-N 305.418 3.106 10 10 DGCE COc1ccc(N(C)CCOc2cccc([N+](=O)[O-])c2)cc1 1654958064 WVSBENSRFLOEJK-UHFFFAOYSA-N 302.330 3.119 10 10 DGCE CC1(C)C[C@H](NC(=O)c2c(F)ccc(O)c2O)c2ccccc21 1654412482 QAEKKAGGVSBQSK-ZDUSSCGKSA-N 315.344 3.389 10 10 DGCE CC[C@@H](C)N(C[C@H](N)c1ccccc1O)C(=O)OC(C)(C)C 1928469294 GTFZDQISDZIPOE-OCCSQVGLSA-N 308.422 3.428 10 10 DGCE CC(C)CN(CCNC(=O)OC(C)(C)C)c1ccc(N)cc1 1959573329 RTMKADWKNFTEQW-UHFFFAOYSA-N 307.438 3.256 10 10 DGCE COc1ccc(N2CCC(NC(=O)C(F)=C(C)C)CC2)cc1 153461589 IRVZFRXSSGUJDZ-UHFFFAOYSA-N 306.381 3.044 10 10 DGCE Cc1ccc(O)c([C@H](C)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c1 1938278571 BFZWYDSILDDJNP-IHRRRGAJSA-N 320.433 3.407 10 10 DGCE C[C@H](N[C@H]1CCCC2(OCCO2)C1(C)C)c1ccccc1O 1877584475 FGJFTTBHKQZZMU-BBRMVZONSA-N 305.418 3.365 10 10 DGCE C[C@H](CN1CCC[C@@H]1CN=[N+]=[N-])C(=O)OCc1ccccc1 1975318238 HGQRFCKGUHBQSQ-UKRRQHHQSA-N 302.378 3.141 10 10 DGCE C[C@H](Nc1c(N)cccc1F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1977671682 YYOURKZKWULIPW-NWDGAFQWSA-N 323.412 3.465 10 10 DGCE Nc1ccc(O)c(CN2CCC[C@H](OCc3ccccc3)C2)c1 1987066112 IUKPDXUIWLDAJH-SFHVURJKSA-N 312.413 3.156 10 10 DGCE CC[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)[C@H](NC)c1ccccc1O 1994987070 HLLFBCCFRPDOIM-CDHAZOANSA-N 320.433 3.346 10 10 DGCE C[C@H]1CN(c2ccc(CN)cc2C(F)(F)F)C[C@H](C)S1 163722459 NBZYVBUISYWJKS-UWVGGRQHSA-N 304.381 3.494 10 10 DGCE CN(C)c1ccc([C@@H](N)c2scnc2Br)cc1 2000263125 GLTHLGBXSRHFFK-SNVBAGLBSA-N 312.236 3.020 10 10 DGCE Oc1cc(Br)ccc1CNC[C@@H]1CCC1(F)F 2011542578 XSCMXECXAQEBKZ-VIFPVBQESA-N 306.150 3.290 10 10 DGCE C[C@H]1CCOCCN1c1ccc([C@@H](C)N)cc1Br 2031626983 TUEOUJGAAZZRIC-WDEREUQCSA-N 313.239 3.084 10 10 DGCE CCN(CC(F)F)c1cc(Br)c(CN)cc1F 386062852 HWGYKWPWSFNLQY-UHFFFAOYSA-N 311.145 3.138 10 10 DGCE CC[C@@H](NC1(C)CC(O)C1)c1cc(Br)ccc1O 2062363850 KPNRWXKFPIKIAO-KSGYAGIASA-N 314.223 3.109 10 10 DGCE CN1CCc2cc([C@@](C)(O)c3ccc(Br)o3)ccc21 2106804808 GFRKEQNHCUGNDL-OAHLLOKOSA-N 322.202 3.290 10 10 DGCE CCCN[C@](CSc1nccs1)(C[C@@H](C)CC)C(=O)O 2207914581 IKRJIVWFAWCOJU-FZMZJTMJSA-N 316.492 3.494 10 10 DGCE CC[C@@H]1CN2CCCC[C@H]2CN1Cc1cnc(SC)s1 2284678329 VNBJEKSQKUXIQF-OLZOCXBDSA-N 311.520 3.314 10 10 DGCE Cc1ccncc1/C=C\C(=O)N(C[C@@H]1CCCO1)c1ccncc1 492496093 ZTQXBVUFBLENDA-XDXAGZTOSA-N 323.396 3.010 10 10 DGCE CC(C)CSCCCNC(=O)C=Cc1ccc(O)c(O)c1 2308005819 IVZSTOTZXCAYKM-UHFFFAOYSA-N 309.431 3.007 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@@H]3C[C@H]2[C@@H]2C[C@@H]32)cc1Br 2308726058 UTWDGEGATVKERC-RNOGGXLWSA-N 307.235 3.313 10 10 DGCE O=C(O)[C@]1(Sc2nccs2)CS[C@@H](C(F)(F)F)C1 2327014114 MUIZRMOXRCLVTB-SVGQVSJJSA-N 315.363 3.126 10 10 DGCE CCOC(=O)CN(Cc1ccccc1)N=Nc1ccc(O)cc1 2330146393 ZHOFENLKFIVVKE-UHFFFAOYSA-N 313.357 3.456 10 10 DGCE CCCN1N=C(C(F)(F)F)C(=Cc2ccccc2F)C1=O 2332096386 ARVNKHAZSRWFCG-UHFFFAOYSA-N 300.255 3.380 10 10 DGCE CCc1cncc(CNCc2cccc(Br)c2O)c1 2353060621 BQUVBWXJIKXCQW-UHFFFAOYSA-N 321.218 3.402 10 10 DGCE Cc1ccc(O)c([C@H](C)Nc2cccc(S(C)(=O)=O)c2)c1 37763468 KPKASWOMCJNFCY-LBPRGKRZSA-N 305.399 3.277 10 10 DGCE COC(=O)c1cc(NCc2ccc(O)cc2O)ccc1Cl 36918914 WARZKJJLYLMWFL-UHFFFAOYSA-N 307.733 3.150 10 10 DGCE Nc1ccc(CCC(=O)Cc2cncc(Br)c2)cc1 124659537 ZMACRSQEFDNNSB-UHFFFAOYSA-N 319.202 3.171 10 10 DGCE Cc1cc(F)c2c(c1)CCCN2C(=O)/C=C/c1cnn(C)c1C 130454522 FWRGRGCMUTYNGC-VOTSOKGWSA-N 313.376 3.169 10 10 DGCE Nc1ccc(OCCC(=O)Nc2ccc(F)c(Cl)c2)cc1 40302088 JLILYOFXTXUUJQ-UHFFFAOYSA-N 308.740 3.469 10 10 DGCE CC(=O)N(C(=S)N[C@H]1CCCC[C@H]1C)c1ccc(N)cc1 242600390 CJVNSAOOOFTTOS-ABAIWWIYSA-N 305.447 3.075 10 10 DGCE COc1ccc(CCN[C@@H](C)c2ccc(Cl)cc2O)cn1 527990596 PUPPPXPQJZZAGV-NSHDSACASA-N 306.793 3.343 10 10 DGCE O=C(NCc1ccccc1O)N[C@@H](c1ccccn1)C1CCC1 528177061 SDMXVTVWMZOCFG-QGZVFWFLSA-N 311.385 3.128 10 10 DGCE C/C(=C\C(C)(C)C)C(=O)NCc1ccc(N2CCOCC2)cc1 274610599 HPTITHLEFMSBMY-FYWRMAATSA-N 316.445 3.132 10 10 DGCE Cc1cccc(CN[C@@H]2CCOC3(CCSCC3)C2)c1O 271765094 AEXYLWNBUZCPHD-OAHLLOKOSA-N 307.459 3.235 10 10 DGCE OC[C@H]1CN(Cc2cc(Cl)c(F)cc2O)c2ccccc21 293857142 ICCPDDPUXNEBKH-LLVKDONJSA-N 307.752 3.281 10 10 DGCE COc1cc(O)c(CNCC(C)(C)C(F)(F)F)cc1OC 802653347 RWRDTVZQHZHQOC-UHFFFAOYSA-N 307.312 3.088 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)c1cc(C)nn1CC 801550087 NHICTRZEOQSTCF-UHFFFAOYSA-N 315.417 3.360 10 10 DGCE CCN(C)c1ccc(CN2CCc3cc(Cl)nnc3C2)cc1 829176176 OTLSJDNYDZXALH-UHFFFAOYSA-N 316.836 3.144 10 10 DGCE Cc1cc(CC(=O)N(C)c2cnn(C)c2)c(C)n1-c1ccccc1 828523779 UVUGXUUUCJGXHX-UHFFFAOYSA-N 322.412 3.033 10 10 DGCE CC(C)N1CC[C@H](CNC/C=C\c2ccc(N(C)C)cc2)C1 835052291 BZSDSOCFRKMSGC-OOFWQKGWSA-N 301.478 3.086 10 10 DGCE Cc1noc([C@H]2CCCN2C/C=C/c2ccc(N(C)C)cc2)n1 835052916 IPMBFLWYSIOPJP-UKINESCASA-N 312.417 3.294 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCC[C@@H](c3nccn3C)C2)cc1 835048030 DRHDQWLSVNRUGL-WLPBJKJWSA-N 324.472 3.379 10 10 DGCE CCc1cccc(CN[C@@H](c2ccccc2F)[C@@H](C)O)c1O 848920066 WSOFSLPQOUEKCD-SJKOYZFVSA-N 303.377 3.305 10 10 DGCE CC(C)(C)OC(=O)N1CCC(=O)C[C@@H]1c1c(O)cccc1F 1952064154 IWOMIFNDODSEIP-GFCCVEGCSA-N 309.337 3.172 10 10 DGCE CN1[C@H]2CCC[C@H]1CC(NCc1ccc3c(c1)CCCO3)C2 921790876 OPMBSXMABXVVTF-ROUUACIJSA-N 300.446 3.117 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@H]2C[C@@H]3OC(C)(C)O[C@@H]3C2)cc1 922869114 FFJDASPMNMTPRA-IATHNOKLSA-N 316.445 3.038 10 10 DGCE Cc1cc(O)c([C@H]2[C@H](N)CCCN2C(=O)OC(C)(C)C)cc1C 1953043510 GJAHDVFXDBNXSZ-ZBFHGGJFSA-N 320.433 3.408 10 10 DGCE C[C@H](Nc1ncnc2c1cnn2C(C)(C)C)c1ccccc1O 866239217 SSKIVBOBMPEFSA-NSHDSACASA-N 311.389 3.460 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)[C@@H]1CCCCC1(F)F 862026672 WNQIEPFRFYFCML-ZDUSSCGKSA-N 320.339 3.382 10 10 DGCE CC[C@H](NC(=O)c1cc(O)cs1)c1cccc(OC)c1OC 871278549 PSDUHGDPCMEMQK-LBPRGKRZSA-N 321.398 3.352 10 10 DGCE C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CC1(C)C 785433121 DFSLZJWHSJVWRZ-CZUORRHYSA-N 320.452 3.311 10 10 DGCE CCOC(=O)[C@@H]1CC[C@H](N[C@@H](C)c2c(C)cc(C)cc2O)C1 788800846 IORSGGJQZALHIP-ZNMIVQPWSA-N 305.418 3.391 10 10 DGCE CC[C@@H]1CN(Cc2ccccc2F)c2ccc(CN)cc2O1 74337797 WTLZPJFZIABHSM-OAHLLOKOSA-N 300.377 3.462 10 10 DGCE CO[C@@H](C)CN(Cc1c(O)cccc1Br)C(C)C 707142903 NKJIPEHYZPHTHA-NSHDSACASA-N 316.239 3.400 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@@](C)(CO)C(C)C)cc1 793732871 MNMLIWPXCHAOCF-IBGZPJMESA-N 314.429 3.231 10 10 DGCE O=C(NCc1c(O)cccc1O)c1coc2ccc(Cl)cc12 1156885475 GIHZHDNPIAKMFG-UHFFFAOYSA-N 317.728 3.427 10 10 DGCE Cc1cc(CN(C)c2ccc([C@@H](C)N)cc2Br)no1 2115104724 OUICQHSOTRVQJU-SNVBAGLBSA-N 324.222 3.402 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H](C)c2ncon2)cc1 1178714882 OPEZHHSTKOJEBR-LBPRGKRZSA-N 324.384 3.011 10 10 DGCE C[C@@H](NC(=O)c1ccnc(Br)c1)c1ccccc1O 1643738745 OJNOXIQADKOUSK-SECBINFHSA-N 321.174 3.041 10 10 DGCE CCc1nc(Br)cc(OCCc2ccc(N)cc2)n1 2128235357 RWTQRWQZNFAHCD-UHFFFAOYSA-N 322.206 3.005 10 10 DGCE COc1ccc(N(Cc2nc(CC3CC3)no2)CC2CC2)cc1 1194467833 VLUSGXUULZETGN-UHFFFAOYSA-N 313.401 3.447 10 10 DGCE CN(C)c1ccc(CNC(=O)[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)cc1 1351256074 MIFZQXFMNYZRAE-YUELXQCFSA-N 308.372 3.050 10 10 DGCE O=C(NCc1c(O)cccc1F)c1cccc(C(F)(F)F)c1 1456090545 LXMCXHLDGQFCQO-UHFFFAOYSA-N 313.250 3.480 10 10 DGCE C[C@H](NC(=O)c1cnn(-c2ccccc2)c1)c1ccccc1O 1454817800 MAERXDAMBRGQOB-ZDUSSCGKSA-N 307.353 3.069 10 10 DGCE Fc1cc(CN2CC[C@H]3CCCC[C@H]32)ccc1N1CCOCC1 1615629088 CLSZLDCXKNSBRG-SJLPKXTDSA-N 318.436 3.427 10 10 DGCE Cc1ccccc1CCN(C)C(=O)/C=C/c1ccc(O)c(O)c1 1556772080 WUJXZGNQYGKWMC-CSKARUKUSA-N 311.381 3.121 10 10 DGCE CCCC(=O)N1CC[C@H](CCNCc2ccc(OC)c(C)c2)C1 1484503853 PGEODYPHYQULGU-INIZCTEOSA-N 318.461 3.132 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@H](O)C(C)(C)CC)cc1F 1565687948 DGHYBTNSOFBVEF-INIZCTEOSA-N 324.440 3.085 10 10 DGCE C[C@H]1[C@H](Nc2ccc(N)cc2)CCCN1C(=O)OC(C)(C)C 1959377852 UGGDBLPWVBPXKU-SWLSCSKDSA-N 305.422 3.469 10 10 DGCE CC/C=C/Cn1c(CC)nnc1N(C)Cc1ccccc1O 1694997296 OWGFSFWNBRRASZ-RMKNXTFCSA-N 300.406 3.149 10 10 DGCE C[C@H]1Cc2ccccc2N1/N=N/c1ccc2c(c1)OCC(=O)N2C 1860487498 AXGFEKWIMFQSNM-IVGVGDLQSA-N 322.368 3.492 10 10 DGCE c1cn2c(Sc3ncc(CNC4CC4)s3)ncc2s1 2139850759 KHSCHEBGOOONDD-UHFFFAOYSA-N 308.457 3.256 10 10 DGCE CN[C@H](c1ccccc1O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C 1936973416 JZHNKVFXXFAQNW-ZENOOKHLSA-N 320.433 3.298 10 10 DGCE C[C@H]1CCN(c2ccc(CO)c(Br)c2)C[C@H]1F 1946883509 UWXDAJJBTNTAGD-TVQRCGJNSA-N 302.187 3.126 10 10 DGCE CN(C[C@H]1CCCCN1C(=O)OC(C)(C)C)c1ccc(N)cc1 1977965210 FSCDYMFRHNSBTP-MRXNPFEDSA-N 319.449 3.495 10 10 DGCE CC(C)(C)OC(=O)N[C@]12CCCC[C@H]1CN(CCCN=[N+]=[N-])C2 1982242025 KENSSRDSVFVSTE-BBRMVZONSA-N 323.441 3.456 10 10 DGCE C[C@H]1C[C@@H](NCc2ccccc2O)CN(Cc2ccccc2)C1 1986366062 QBRNRXQJBCDGNM-QFBILLFUSA-N 310.441 3.392 10 10 DGCE CC(=CCCNCC(C)C)c1nc(Br)cn1C 1997869588 CKVWOZDISZHTRE-UHFFFAOYSA-N 300.244 3.222 10 10 DGCE CP(C)(=O)[C@H]1CCCN(c2c(F)cc(CO)cc2F)C1 2159316049 KGYXPBZGUSUDNE-NSHDSACASA-N 303.289 3.049 10 10 DGCE C[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)C[C@H]1C(=O)O 693494230 HYOMNDODUQMEFA-GZMMTYOYSA-N 318.200 3.242 10 10 DGCE NCc1ccc(N2CC(CC3CC3)C2)c(F)c1Br 699553561 RBZLYHDWSMLKLQ-UHFFFAOYSA-N 313.214 3.283 10 10 DGCE Cc1cnc(CNCc2ccc(Br)cc2O)c(C)c1 724097367 HFPXFIRNERJRIP-UHFFFAOYSA-N 321.218 3.456 10 10 DGCE FC(F)OC1CN(c2ccc(CNC3CC3)cc2Cl)C1 398908301 UPXWVQOBGXGESM-UHFFFAOYSA-N 302.752 3.020 10 10 DGCE Oc1cc(Br)ccc1CN[C@@H]1[C@H]2CCC(F)(F)[C@@H]21 2051222407 DGVHQARAOKGSRC-ZMLRMANQSA-N 318.161 3.288 10 10 DGCE CC(C)(F)C1CN(c2cc(Br)c(CN)cc2F)C1 2058553318 WXLZJXQIPOKUGE-UHFFFAOYSA-N 319.193 3.231 10 10 DGCE C[C@H](O)c1ccc(N2C[C@@H](F)C[C@@H](F)C2)cc1Br 2062387747 CYFZIGGNVLXEJJ-LPEHRKFASA-N 320.177 3.389 10 10 DGCE CO[C@H]1CC[C@@H]1CSc1ncc(CNCC(C)C)s1 2230509911 KAAUHCUDYBIKNW-YPMHNXCESA-N 300.493 3.406 10 10 DGCE CNCc1ccc(N(C)C2CSCCSC2)cc1Cl 2228758683 XHHNLQMBGUVMHN-UHFFFAOYSA-N 316.923 3.344 10 10 DGCE CSc1ncc(CNC(=O)c2cccc(O)c2Cl)s1 2269120648 FUUWZUGHFPDPCH-UHFFFAOYSA-N 314.819 3.154 10 10 DGCE CSc1ncc(CNc2nc(Cl)ccc2[N+](=O)[O-])s1 2269276955 IEBANJSFQGXHEB-UHFFFAOYSA-N 316.795 3.434 10 10 DGCE COc1ccc(N2CCC(SC(F)(F)F)CC2)c(N)c1 2289990941 OABMYDBRXHMYJY-UHFFFAOYSA-N 306.353 3.499 10 10 DGCE Cc1ccc(CN2CC(C)(CF)C2)c(O)c1Br 2307471506 MPCRCBJHYRURRG-UHFFFAOYSA-N 302.187 3.255 10 10 DGCE Oc1cccc(Br)c1CN[C@@H]1C[C@@H]2C[C@H]1[C@H]1C[C@H]21 2309577358 BWJHHUAOTGDHOF-MZODFIPJSA-N 308.219 3.289 10 10 DGCE O=C(C[C@@H]1CCCCO1)N1CCc2cc(N3CCCC3)ccc21 62526167 NXWHLXMWNBXRFX-KRWDZBQOSA-N 314.429 3.135 10 10 DGCE O=[N+]([O-])c1cc2c(O)csc2cc1I 307304358 QGMSDMKUOMYONZ-UHFFFAOYSA-N 321.095 3.120 10 10 DGCE C[C@@H]1C[C@@H](NCc2cc(OC(F)(F)F)ccc2O)CS1 2361025449 ANHUPWFZQGJBKH-PSASIEDQSA-N 307.337 3.274 10 10 DGCE Oc1ccc(CNCc2ccccc2O)cc1Br 129536455 UKGQNFDZKHDHOS-UHFFFAOYSA-N 308.175 3.150 10 10 DGCE COc1ccc(O)c([C@@H](C)Nc2ccc3c(c2)NC(=O)CC3)c1 186457628 LXCNJTPVTUWCQG-LLVKDONJSA-N 312.369 3.459 10 10 DGCE CCC1C[C@H]2C(=O)N(c3cc(Cl)c(N)cc3C)C(=O)[C@@H]2C1 229874034 JSQWFWVNFSIQJG-GHMZBOCLSA-N 306.793 3.156 10 10 DGCE CNCc1ccc(N(C)[C@H]2CCSC2)cc1Br 234416254 WIPFAABAUXXEFF-LBPRGKRZSA-N 315.280 3.110 10 10 DGCE CCc1nnc(NCc2cc(Br)ccc2O)s1 234178606 VDDIUYWTSMMSJC-UHFFFAOYSA-N 314.208 3.181 10 10 DGCE C[C@@H](CN1CCC[C@@H](C)C1)N[C@H](C)c1ccc(F)c(F)c1O 248935402 NDFVZSJDNHZZBG-FRRDWIJNSA-N 312.404 3.441 10 10 DGCE C[C@@H]1C[C@@H]1c1ccc(/C=C\C(=O)NCc2ccc(O)c(O)c2)o1 255106968 OYHRBBNJYBJFOP-QDDUCLRZSA-N 313.353 3.144 10 10 DGCE COc1ccc2c(c1)N[C@@](C)(C(C)C)CN2[C@@H](C(=O)O)C(C)C 606610965 RFSGZZSYSVOQAT-SJLPKXTDSA-N 320.433 3.451 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@@H]2COc3ccc(F)cc3C2)c1 290413175 UGMRSSGSYMMHJS-FZMZJTMJSA-N 317.360 3.194 10 10 DGCE CCN(C)c1ccc(CN2C[C@@H](C(F)(F)F)OC[C@H]2C)cc1 815116185 DDQWDQBAIANEMN-DOMZBBRYSA-N 316.367 3.294 10 10 DGCE COc1cccc(CNCc2ccccc2-c2ccnn2C)c1O 816610361 IDQNAHKEVTZYNG-UHFFFAOYSA-N 323.396 3.091 10 10 DGCE NCCCC[C@@H](N)c1ccc(OCc2ccccc2)cc1O 575438954 NKVMLWGIWFZUAU-QGZVFWFLSA-N 300.402 3.100 10 10 DGCE O=C(c1cc(O)cs1)N1CCC[C@@H]1c1ccc2c(c1)OCO2 732286825 YIUOSYWVDKJMSR-GFCCVEGCSA-N 317.366 3.160 10 10 DGCE CN(C)c1ccc(/C=C\CNCCCc2nccs2)cc1 835045078 RSQZTKONBGGGRB-HYXAFXHYSA-N 301.459 3.445 10 10 DGCE CC(C)O[C@@]1(CN[C@H](C)c2ccc(Cl)cc2O)CCOC1 903358748 YWLUHNFIYBCSIJ-MLGOLLRUSA-N 313.825 3.280 10 10 DGCE Cc1cc(N(C)C)ccc1CNc1ccc(OCCO)c(C)c1 840937672 UNZLPJUOZFHZIV-UHFFFAOYSA-N 314.429 3.353 10 10 DGCE CC(=O)NCCCCCN(Cc1ccc(N(C)C)cc1)C1CC1 929297198 VJFILXLDVIEIQX-UHFFFAOYSA-N 317.477 3.023 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@H](c2ccccc2)[C@H](C)O)c1 850582289 DBLRGQDUXNTFLX-LXIYXOSZSA-N 301.386 3.174 10 10 DGCE CCOc1ccc(O)c(CN[C@@H]2COc3cc(F)ccc3C2)c1 850381631 HWLSBSFIUPHKQU-HNNXBMFYSA-N 317.360 3.023 10 10 DGCE Oc1ccccc1CN(CCO[C@@H]1CC1(F)F)Cc1ccco1 851841095 MZDWTTJIRZQCFK-MRXNPFEDSA-N 323.339 3.412 10 10 DGCE C[C@@H](NCCO[C@H]1CC1(F)F)c1cc2c(cc1O)CCCC2 850520879 HXRQIGCBCCQEEW-BZNIZROVSA-N 311.372 3.346 10 10 DGCE CN(C)c1ccc(/C=C/CNCCCO[C@@H]2CCCCO2)cc1 922231560 OCXSZLAIDKNUFT-WSSFADSRSA-N 318.461 3.289 10 10 DGCE C[C@@H]1C[C@@H](NCc2cccnc2N(C)C)c2c(O)ccc(F)c21 756411423 PWYABHGDRARBPF-BXUZGUMPSA-N 315.392 3.330 10 10 DGCE C[C@H]1c2ccccc2C[C@H]1NCc1ccc(N2CCOCC2)cc1 850363872 LNFCCQDAWWVELA-HRAATJIYSA-N 322.452 3.341 10 10 DGCE O=C(O)/C=C/c1ccc(N2CC[C@@H]3C[C@@H]3C2)c(Br)c1 699271878 IDCKPLFFUUCXAD-VNPHXJNISA-N 322.202 3.393 10 10 DGCE CN1CCc2cc(/C=C3\N=C(c4ccsc4)OC3=O)ccc21 751524080 QUPXWDRVKQRUET-ZROIWOOFSA-N 310.378 3.085 10 10 DGCE CCOc1cccc(CN2CC[C@@H](c3ccc(O)cc3)C2)c1O 862540132 ADBBEKUZTVFZDX-OAHLLOKOSA-N 313.397 3.486 10 10 DGCE CC(C)C[C@H]1OCCC[C@@H]1NC(=O)N[C@@H](C)c1ccccc1O 868516446 IIOXAAYWRDRPBI-JLJPHGGASA-N 320.433 3.346 10 10 DGCE CCN(C)c1ccc([C@H](C)N[C@@H]2[C@H]3C[C@@H]4CO[C@H]2[C@H]4C3)cc1 866444833 KORJKWXVXNENAP-PWWLJYAESA-N 300.446 3.217 10 10 DGCE C[C@]12CNC[C@H]1CN(c1ccc(OCc3ccccc3)cc1)C2 1899859967 DIQZEWYDEOSXTM-FXAWDEMLSA-N 308.425 3.311 10 10 DGCE C[C@@H](NC(=O)OC(C)(C)C)C(F)(F)Cc1ccc(N)cc1 1953011851 LMANXROABLGQDD-SNVBAGLBSA-N 300.349 3.360 10 10 DGCE O=C(NCc1cc(Br)ccc1O)[C@]12CCCC[C@H]1C2 868307001 LDBJUHVCTHENKU-NHYWBVRUSA-N 324.218 3.351 10 10 DGCE C[C@H]1C[C@@H](N(C)Cc2cc(Cl)cc(F)c2O)CCN1C 775717188 NOHBLMFXBGAEGZ-GWCFXTLKSA-N 300.805 3.099 10 10 DGCE CCN(CC)c1ccc(CNC(=O)N2CC[C@H](C)[C@H](F)C2)cc1 778620276 JCPSHWLOCRADRQ-WMLDXEAASA-N 321.440 3.422 10 10 DGCE COC(=O)c1ccc(CN(C)c2ccc(OC(C)C)cc2)nc1 796041536 PBRDZJWWPTXSDA-UHFFFAOYSA-N 314.385 3.292 10 10 DGCE CN(Cc1ccc(N(C)C)cc1C(F)(F)F)C[C@H]1CCCO1 792776924 KLYGKESFVHNRGL-CQSZACIVSA-N 316.367 3.382 10 10 DGCE CN(C[C@@H]1CCCS1)c1ccc(CN)c(Br)c1 718418580 PQVZOABTIDNJND-LBPRGKRZSA-N 315.280 3.240 10 10 DGCE C[C@H](N)c1ccc(N2CCO[C@@](C)(C(F)F)C2)c(Cl)c1 698821763 LGEAEOOIHRTQPJ-LKFCYVNXSA-N 304.768 3.220 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCCc2ccccc2C1 1304316077 FRWXDMOUQCMKFR-KAMXEHQASA-N 323.392 3.175 10 10 DGCE Cc1ccccc1C(F)(F)CNC(=O)c1ccc(C)c(O)c1O 1167973913 WYBZTBOSGIWVIZ-UHFFFAOYSA-N 321.323 3.236 10 10 DGCE CCO[C@H]1C[C@H](NC(=O)c2sccc2-n2c(C)ccc2C)C1 1165564563 NXLNRQNNERUDMP-HDJSIYSDSA-N 318.442 3.453 10 10 DGCE CCOc1cc(CNCc2ccncc2)ccc1N1CCCC1 211893532 FPEOJDJMLWVRAX-UHFFFAOYSA-N 311.429 3.370 10 10 DGCE CCC1(Cn2c(C)nnc2N(C)Cc2ccccc2O)CC1 1513604265 PAWPJEGKRJEMIT-UHFFFAOYSA-N 300.406 3.119 10 10 DGCE O=C(Cc1ccc(F)cc1F)NCc1cc(Cl)ccc1O 1628667626 YPWZTQFZKAZWDO-UHFFFAOYSA-N 311.715 3.183 10 10 DGCE Nc1c(Cl)cc(Cl)cc1C(=O)NCc1ccccc1O 1630363284 MFWOZMJSJQMQEO-UHFFFAOYSA-N 311.168 3.211 10 10 DGCE Cc1ccccc1-n1c(C)cc(C(=O)Nc2ccc[n+]([O-])c2)c1C 1641416416 AFXFGOIIABLGAS-UHFFFAOYSA-N 321.380 3.288 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N(Cc2ccoc2)C2CC2)cc1 1647776136 QARGPAUKJQFSLL-UHFFFAOYSA-N 312.329 3.247 10 10 DGCE CCOc1ccc(N2CCN(C[C@H]3C[C@@H]4C[C@@H]4C3)CC2)cc1 1653841225 XOHJRPLEAGSBRE-BJWYYQGGSA-N 300.446 3.253 10 10 DGCE C[C@@H](NCC(=O)NCc1ccc(Cl)cc1)c1ccccc1O 1654532120 IOHFEUXTNFDGBK-GFCCVEGCSA-N 318.804 3.013 10 10 DGCE Cc1cc(CN2C[C@@]34CCCC[C@]3(COC4)C2)ccc1N(C)C 1655187165 MZDHDZOSXMEFGH-WOJBJXKFSA-N 314.473 3.454 10 10 DGCE COC(=O)c1cc(OC[C@H]2CCC(F)(F)C2)ccc1N(C)C 1653036888 HYPHIHUAFDTVEY-NSHDSACASA-N 313.344 3.353 10 10 DGCE COc1ccc(CNC[C@@H](C)NC(=O)/C=C/C(C)(C)C)cc1C 1669260331 VBKMAIGBBLTDEL-BOLDSZDNSA-N 318.461 3.200 10 10 DGCE COc1cc(N(C)Cc2ccc(C)nc2)cc(OC)c1OC 154760300 HYJAGAPODCKQEL-UHFFFAOYSA-N 302.374 3.052 10 10 DGCE Nc1cccc(Br)c1N[C@@H]1CCCC[C@]12CCNC2 1876307456 RMYUSLWCCJRBBD-UKRRQHHQSA-N 324.266 3.366 10 10 DGCE Cc1c(N)cc(Br)cc1C(=O)Nc1ccc(N)cc1 1876511265 NSMFAPULDBRIPZ-UHFFFAOYSA-N 320.190 3.174 10 10 DGCE COc1ccc(CN[C@@H]2C[C@H]2C2CCCCC2)c(O)c1OC 893354977 AEYQQOQOQKWQIL-LSDHHAIUSA-N 305.418 3.468 10 10 DGCE Cc1cccc(O)c1CNCC(C)(C)N(C)C(=O)OC(C)(C)C 1976895126 JSRADVVKTVXPSB-UHFFFAOYSA-N 322.449 3.436 10 10 DGCE Oc1cc(Br)ccc1CN[C@@H]1C[C@]12CC2(F)F 2004613129 MIWCTSPEPCMYMV-MNOVXSKESA-N 304.134 3.042 10 10 DGCE CCc1cccnc1CNCc1cccc(Br)c1O 158423297 YCWGLBLVZTZOFK-UHFFFAOYSA-N 321.218 3.402 10 10 DGCE CC(C)(C)OC(=O)CNCc1cc(Cl)cc(Cl)c1O 164093629 GHEBOTMCOURBCH-UHFFFAOYSA-N 306.189 3.130 10 10 DGCE COc1ccc(C=C2SC(N3CCCCC3)=NC2=O)cc1 2053493806 GFGAGWQZEHNDMO-UHFFFAOYSA-N 302.399 3.151 10 10 DGCE CNCc1cc(F)c(N2CCC[C@H](CSC)C2)c(F)c1 380770330 RPDCYOLLSQLKKO-NSHDSACASA-N 300.418 3.264 10 10 DGCE COC[C@H]1CCCN1Cc1cc(Br)cc(C)c1O 696560384 ABIQEVDEOZUCOX-CYBMUJFWSA-N 314.223 3.074 10 10 DGCE CC(C)N(CC(F)F)c1ccc(CN)c(Br)c1 386067226 IQIMMCIFXUJYOB-UHFFFAOYSA-N 307.182 3.388 10 10 DGCE CNCc1cc(C2CCC2)nn1[C@@H](C)c1cc(OC)ccc1O 2070026771 LQFIUDQGXUGCJA-LBPRGKRZSA-N 315.417 3.194 10 10 DGCE COc1ccc(O)c([C@H](C)n2nc(C(C)C)cc2CN(C)C)c1 2070132338 VEGMAJHNVHULPD-ZDUSSCGKSA-N 317.433 3.392 10 10 DGCE C[C@H](c1ccc(F)cc1O)n1nc(-c2ccccc2)cc1CN 2070134545 OGTCKKGKFYICGY-GFCCVEGCSA-N 311.360 3.463 10 10 DGCE CC(C)(C)c1c(C2CCC2)nn(-c2ccc(O)c(O)c2)c1N 2079769997 IFBNABMBNKDUMH-UHFFFAOYSA-N 301.390 3.431 10 10 DGCE CN1CCCc2cc([C@@H](N)c3occc3Br)ccc21 2098390480 QCYDVQXYWWFARK-CQSZACIVSA-N 321.218 3.473 10 10 DGCE CN(C[C@H](O)c1cccc(Br)c1)c1ccc(N)cc1 2113403859 RHFNIZHFGMQKAG-HNNXBMFYSA-N 321.218 3.201 10 10 DGCE CNCCC[C@H](C)N(C)c1cc(Cl)c(OC)cc1OC 2285915813 AKBDABLBAJIEOV-NSHDSACASA-N 300.830 3.182 10 10 DGCE Cc1ccc(CN[C@@H]2CCCSC2)c(O)c1Br 2307476855 GBNQVSHCEKDCGB-LLVKDONJSA-N 316.264 3.448 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)C=Cc2scnc2C)c1 2310141627 JAZALMAKLDZMRS-JTQLQIEISA-N 318.398 3.056 10 10 DGCE CN(C)c1ccc(C=C2CC(=O)N(c3ccccc3)C2=O)cc1 2320812086 OHEBAYULQDPLGG-UHFFFAOYSA-N 306.365 3.100 10 10 DGCE CC1=NN(Cc2cccc(F)c2)C(=O)C1=Cc1ccc(O)cc1 2332099558 GFLATRJVLGDQNV-UHFFFAOYSA-N 310.328 3.333 10 10 DGCE CCCC1=NN(CCC)C(=O)C1=Cc1cccc([N+](=O)[O-])c1 2332134616 PRZYWANWULUHNV-UHFFFAOYSA-N 301.346 3.387 10 10 DGCE CSc1ncc(CNC(C(=O)O)(C(C)C)C(C)C)s1 2349495779 LXKBKPLPSMNTCE-UHFFFAOYSA-N 302.465 3.090 10 10 DGCE CCN(CC(=O)Nc1ccc(Cl)cc1)c1ccc(N)cc1 63114918 QOURNYDHEXSYRW-UHFFFAOYSA-N 303.793 3.387 10 10 DGCE Nc1ccc(CCC(=O)N2CCC(C(F)(F)F)CC2)cc1 88416364 STGNAYIUJRIABO-UHFFFAOYSA-N 300.324 3.002 10 10 DGCE CCCN[C@@]1(C(=O)O)CCC[C@H](Sc2nccs2)C1 93778657 NJVZYTHSBCPHNO-GWCFXTLKSA-N 300.449 3.001 10 10 DGCE COc1ccc(CN(Cc2ccco2)C[C@H]2CCCO2)c(O)c1 92437389 KZHVMHINSYJTHD-QGZVFWFLSA-N 317.385 3.175 10 10 DGCE Cc1cc(C)cc(CS(=O)(=O)CCc2ccc(N)cc2)c1 94718586 UGJBXSSZQOIXIJ-UHFFFAOYSA-N 303.427 3.043 10 10 DGCE CCOc1cccc(CN2CCC(C3CCOCC3)CC2)c1O 93705031 NCXVJKUWCMEVAB-UHFFFAOYSA-N 319.445 3.430 10 10 DGCE CCOc1ccc(O)c(CNCC[C@H](O)c2ccccc2)c1 289176339 AAKHEHAIBZSIAO-SFHVURJKSA-N 301.386 3.004 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]2CCCN(CCCN=[N+]=[N-])[C@@H]2C1 2245454336 KGTCXGIMKJTYNT-UONOGXRCSA-N 323.441 3.408 10 10 DGCE O=C(NCc1ccccc1O)Nc1ncc(C(F)(F)F)s1 801753467 UAJJRKRZSWMPPC-UHFFFAOYSA-N 317.292 3.189 10 10 DGCE CCN1CCc2cc([C@H](O)[C@H]3SCCS[C@H]3C)ccc21 2163074569 UEMOOWQWJKUXGJ-UVBJJODRSA-N 309.500 3.340 10 10 DGCE Cc1ccc(Cl)cc1N(C)C(=O)/C=C/c1cncc(O)c1 818817647 ZTVTWVRNARRHCB-GQCTYLIASA-N 302.761 3.425 10 10 DGCE CCc1cccc(CNCc2cnc(C(F)(F)F)nc2)c1O 826839305 PYPLGOPOKQEVON-UHFFFAOYSA-N 311.307 3.053 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H](NCc2ccccc2O)C(C)(C)C1 721865066 BCMIRDOESUUGNO-OAHLLOKOSA-N 320.433 3.127 10 10 DGCE CCN(CC)c1ccc(CN[C@H]2CO[C@H](C3CC3)C2)cc1F 825261066 XDVQRWLPLYAKKC-QAPCUYQASA-N 306.425 3.329 10 10 DGCE CC(C)[C@@H](O)[C@@H](NCc1cc(F)ccc1O)c1ccccc1 827525902 CQMLVQOSPJVYHX-ZWKOTPCHSA-N 303.377 3.379 10 10 DGCE CCc1cccc(CN[C@H]2CCC[C@H]2Cc2cnn(C)c2)c1O 827319231 AZSXDYXHQLVDQF-WMZOPIPTSA-N 313.445 3.189 10 10 DGCE C[C@@H]1CN(C(=O)c2cc(O)cs2)C[C@@H](c2ccccc2)O1 731871068 DAWJXXCFHAXUGG-RISCZKNCSA-N 303.383 3.056 10 10 DGCE CN1CCC[C@H](NC(=O)c2cc(O)cs2)c2ccccc21 839788131 YJYBMLLWAUCVFB-ZDUSSCGKSA-N 302.399 3.155 10 10 DGCE CN(C)c1ccc(/C=C/CNCC2CCN(C3CC3)CC2)cc1 835051025 ADYACCMYFZFYSZ-ONEGZZNKSA-N 313.489 3.230 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCOC2(CCCC2)C1 911899293 VOQMTPBTHJIKFC-GFCCVEGCSA-N 323.820 3.401 10 10 DGCE Cc1cc(O)c(CN2CCC(O)(C(F)(F)F)CC2)c(Cl)c1 840937268 RFDDOBMOEXUPPX-UHFFFAOYSA-N 323.742 3.243 10 10 DGCE CCCN1CCC(CN[C@H](C)c2cccc(OC)c2O)CC1 846143666 FOGBYJSMHAWNPU-CQSZACIVSA-N 306.450 3.173 10 10 DGCE CC(C)(C(=O)NCc1cc(Cl)ccc1O)c1nccs1 911898288 ONPUTLMUUSUNFO-UHFFFAOYSA-N 310.806 3.096 10 10 DGCE Oc1ccc(Cl)c(F)c1CN1CCCC[C@H]1[C@@H]1CCNC1 841085715 BJIFPAYFKQCFMY-RISCZKNCSA-N 312.816 3.149 10 10 DGCE CC(C)(/C=C/Cl)NCc1ccc(N2CCC(O)CC2)cc1 922644085 FYJGEFANYXOGFU-MDZDMXLPSA-N 308.853 3.268 10 10 DGCE CC(C)[C@H]1COCC[C@H]1NCc1ccc2c(c1)CCCN2C 924871435 NEUHAMPXZLVLQI-QZTJIDSGSA-N 302.462 3.220 10 10 DGCE COc1cc(N[C@@H](C)c2cc(F)cc(F)c2O)cnc1OC 858482897 VYPGBJOWLKRQDI-QMMMGPOBSA-N 310.300 3.256 10 10 DGCE CCC(C)(C)OC1CN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 858702750 GGMSMGHMUXIQKQ-UHFFFAOYSA-N 324.377 3.006 10 10 DGCE COc1ccc(N2CC[C@@H](Nc3nc(C4CCC4)no3)C2)cc1 853760683 NNWSHZYGPMZSBC-CYBMUJFWSA-N 314.389 3.037 10 10 DGCE CC(C)[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)C1CC1 850566513 OOIQCXRRRPKPQZ-LJQANCHMSA-N 302.462 3.172 10 10 DGCE C[C@H](NCC1(O)CCC(F)(F)CC1)c1ccc(F)cc1O 850566596 OIBBPOMLHOBTAN-JTQLQIEISA-N 303.324 3.122 10 10 DGCE CC(C)c1nnc2c(N[C@H](C)c3ccc(N(C)C)cc3)nccn12 777784378 HLPKOTGSHHCLHR-CYBMUJFWSA-N 324.432 3.487 10 10 DGCE CC[C@@H]1C[C@H](CN(C)c2cc(OC)c(OC)c(OC)c2)CCO1 780775255 SUQXLKJCOMEBBZ-UKRRQHHQSA-N 323.433 3.354 10 10 DGCE Cc1ccc(O)c(CNC(=O)[C@H]2CCN(C)[C@H]2c2ccccc2)c1 899134430 XBHUUJZJMPXDOZ-HKUYNNGSSA-N 324.424 3.010 10 10 DGCE COc1cc(Cl)cc(CNC2C[C@H]3[C@H](C2)C3(F)F)c1O 693350046 UUMVIMHDAACCND-QWRGUYRKSA-N 303.736 3.188 10 10 DGCE O=C(NCc1c(O)cccc1F)c1ccccc1C(F)(F)F 1303877918 JUPPTIUZRBVMED-UHFFFAOYSA-N 313.250 3.480 10 10 DGCE CN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2ccc(N)cc2)CC1 1901592345 FPWBQTXTTZIDGS-HNNXBMFYSA-N 319.449 3.495 10 10 DGCE COc1ccc(CN[C@H](C)CCNC(=O)C2=CCCC2)cc1C 1267126063 GTXARINHCOKNIP-OAHLLOKOSA-N 316.445 3.098 10 10 DGCE CC[C@H](O)CN(Cc1ccccc1)c1c(F)cc(CN)cc1F 1915378741 PULGZEDRRACCEN-HNNXBMFYSA-N 320.383 3.201 10 10 DGCE O=C(NCc1cc(O)ccc1O)c1cc2cc(F)ccc2s1 1455357975 ZAUPUKWOLHAXLA-UHFFFAOYSA-N 317.341 3.382 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)c1ccc2c(c1)CCC2 1639621560 KSMJSAPNNWRXKW-UHFFFAOYSA-N 318.376 3.359 10 10 DGCE CCC(C)(C)C(=O)C(=O)NCc1ccc(N2CCCCC2)cc1 1630697860 FVLHLPHPNHBXFE-UHFFFAOYSA-N 316.445 3.298 10 10 DGCE CCC/C=C\[C@H](O)C(=O)NCc1ccc(N2CCCCC2)cc1 1630698224 OUWQAFFDEDORRW-MTIYJEKLSA-N 316.445 3.010 10 10 DGCE CCC(C)(C)C(=O)N(C)CCCNCc1ccc(OC)c(C)c1 1569235458 UQFMVEHUJYYLHV-UHFFFAOYSA-N 320.477 3.378 10 10 DGCE COc1cccc(CNC(=O)c2c(C)cc(F)cc2C)c1O 1595799723 FZTVXAMJTPXAEQ-UHFFFAOYSA-N 303.333 3.087 10 10 DGCE CC(C)(C)NCc1ccc(N2CCC[C@@H](CO)C2)c(Cl)c1 163960241 ZWSVTRARMKKCJS-CQSZACIVSA-N 310.869 3.437 10 10 DGCE Nc1ccc(OCCCN2C[C@@H](C3CCCCC3)OC2=O)cc1 585907314 WWWNFBFOGJEQPO-KRWDZBQOSA-N 318.417 3.439 10 10 DGCE COc1cccc(CN[C@H]2CC[C@@H]2OCc2ccccc2)c1O 1939573130 CBWLYMGAYHFLIU-IRXDYDNUSA-N 313.397 3.238 10 10 DGCE C[C@@H](N)c1ccc(N(C)C2CSC2)c(Br)c1 1936308977 TUHYCVLDSKICJQ-MRVPVSSYSA-N 301.253 3.020 10 10 DGCE Nc1ccc(OCCNc2ccc(Br)cc2N)cc1 1876230770 PQLUFNHIOVTYBF-UHFFFAOYSA-N 322.206 3.104 10 10 DGCE C[C@@]1(CNCc2ccc(Br)cc2O)CCCOC1 1962987656 MQCDQRSCHRXFET-AWEZNQCLSA-N 314.223 3.061 10 10 DGCE C/C=C/C[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)c1ccccc1O 1974794746 ADBJLQSKUUJKNK-XPHWWTOTSA-N 306.406 3.252 10 10 DGCE CN[C@H](c1ccccc1O)[C@H]1CC[C@@H](C)N1C(=O)OC(C)(C)C 1982934339 MKUHBUJSXXVRSR-XNRPHZJLSA-N 320.433 3.441 10 10 DGCE C[C@H]1CN(c2ccc(CO)c(Cl)c2)C[C@](C)(C(F)F)O1 705073439 DKHWULWHIQYARG-LKFCYVNXSA-N 305.752 3.081 10 10 DGCE C[C@H](N)c1ccc(N2CC(C(F)F)C2)c(Br)c1 706438107 OKONWNBLYAPSIZ-ZETCQYMHSA-N 305.166 3.170 10 10 DGCE Nc1ccc(OCCNc2cnc(C(F)(F)F)s2)cc1 2162478084 FAILSPWGHSTMFV-UHFFFAOYSA-N 303.309 3.235 10 10 DGCE Cc1cccc([C@H](C)n2cc(C(=O)OC(C)(C)C)cn2)c1O 2069975340 APUOJHGDTWMTJN-LBPRGKRZSA-N 302.374 3.462 10 10 DGCE CN[C@@H](c1ccccc1O)[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1 2211953821 QWOJKJJRPXWASE-XJKCOSOUSA-N 320.433 3.204 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1[C@H]2CCC[C@H]1COC2 1203582052 OGQYFYRNXLEZPA-RYUDHWBXSA-N 302.201 3.452 10 10 DGCE CN(C[C@@H]1C[C@@H]1C(F)F)c1ccc(CN)cc1Br 2041756995 VQARRQLEKYQLST-UWVGGRQHSA-N 319.193 3.245 10 10 DGCE C[C@H]1CC[C@@H](CNCc2ccc(Br)cc2O)OC1 2053742708 SOXSAZCVDJHZNV-GWCFXTLKSA-N 314.223 3.059 10 10 DGCE CCNCc1ccc(N(C)C[C@H]2C[C@@H]2F)cc1Br 2068047308 CLGRJDQQNGLQBB-RISCZKNCSA-N 315.230 3.353 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)c1nc(Cl)sc1Cl 2218740116 XRPRWNNDHKUTJR-RFZPGFLSSA-N 306.178 3.411 10 10 DGCE C[C@H](O)c1ccc(N(C)CC[C@@H]2CCO2)cc1Br 2263966083 MORHQUCKWZWCFB-CMPLNLGQSA-N 314.223 3.118 10 10 DGCE Cc1cc(C=C2SC(=N)NC2=O)c(C)n1-c1ccc(F)cc1 2297460553 INCCULVWLNNSJM-UHFFFAOYSA-N 315.373 3.372 10 10 DGCE CN(C(=O)C=Cc1cccnc1)c1ccc(-c2ccccc2)nn1 2299424898 VWKOMONVDKZIDN-UHFFFAOYSA-N 316.364 3.215 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)C=Cc2cccc(F)c2)c1 2301402187 OYVMKAMKKBGULV-GFCCVEGCSA-N 315.344 3.431 10 10 DGCE Cc1cncc(C=CC(=O)N(C[C@H]2CCCO2)c2ccncc2)c1 2302386964 UZRZEIUSPJHLIF-GOSISDBHSA-N 323.396 3.010 10 10 DGCE CS[C@H]1CC[C@@H]1NCc1ccc(C)c(Br)c1O 2307479508 JGZUADCSZGDJQG-QWRGUYRKSA-N 316.264 3.447 10 10 DGCE CC(C)CN1N=C(C(F)(F)F)C(=Cc2ccccc2O)C1=O 2332140379 BENZYTPHBGANJH-UHFFFAOYSA-N 312.291 3.192 10 10 DGCE Oc1ccsc1-c1nc([C@H]2COc3ccccc3C2)no1 115851022 LSTUULLQCJVAIJ-SNVBAGLBSA-N 300.339 3.222 10 10 DGCE CN(Cc1ccccc1O)C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F 116443159 GCRYKMFFQJDCCN-STQMWFEESA-N 317.335 3.433 10 10 DGCE CCC1(CC)[C@H](NCc2cc(F)cc(C(C)=O)c2O)C[C@H]1OC 1194090025 CRZGKKDMVZPFOB-HZPDHXFCSA-N 323.408 3.417 10 10 DGCE COc1ccc(O)c([C@H](C)Nc2ccc3c(c2)NC(=O)CC3)c1 186457612 LXCNJTPVTUWCQG-NSHDSACASA-N 312.369 3.459 10 10 DGCE CCC[C@H]1CCCN(S(=O)(=O)Cc2ccc(N)cc2)CC1 79302349 JPSZMXZDXBYWJB-AWEZNQCLSA-N 310.463 3.001 10 10 DGCE Cc1cc(Cl)cc(C(=O)NCCOc2ccc(N)cc2)c1 133798702 GUHMSQJUAFMJLW-UHFFFAOYSA-N 304.777 3.039 10 10 DGCE CNCc1cc(F)c(N(C)CCOCc2ccccc2)c(F)c1 384103426 FRRWDYVHICJHIJ-UHFFFAOYSA-N 320.383 3.337 10 10 DGCE CCOCc1nc([C@@H](C)N[C@@H](C)c2ccc(C)c(C)c2O)no1 289589506 AVHMGVBWGAPIRO-QWHCGFSZSA-N 319.405 3.340 10 10 DGCE CC(=O)C(=O)COC(=O)c1ccccc1SCC=C(C)C 808520662 WGKRZYREDGEAHP-UHFFFAOYSA-N 306.383 3.060 10 10 DGCE COCC[C@@H](COC)N(C)Cc1cc(Cl)cc(Cl)c1O 2165961167 WVMDDSJQPMRKBY-LBPRGKRZSA-N 322.232 3.182 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc(C)c1C 808094812 FMMYANUQNNYDDT-UHFFFAOYSA-N 304.386 3.425 10 10 DGCE CN(Cc1ccccc1)C(C)(C)CNCc1ccc(O)c(O)c1 714220902 SGKMFWOUVUJAOK-UHFFFAOYSA-N 314.429 3.098 10 10 DGCE CCCCc1noc([C@@H](C)OC(=O)c2ccc(C)c(O)c2O)n1 727005586 SZFJGOSFBXZNJW-SNVBAGLBSA-N 320.345 3.050 10 10 DGCE Cc1cc(O)c(CN2CC[C@@H](C(F)(F)F)[C@@H](N)C2)c(Cl)c1 903983067 BFFQXZFXJBAXAU-PWSUYJOCSA-N 322.758 3.066 10 10 DGCE Cc1cccnc1/C=C\C(=O)NCCCSc1nccs1 588455395 JCTDECLLRSMPPU-WAYWQWQTSA-N 319.455 3.158 10 10 DGCE COc1ccccc1C[C@@H]1CCCN1C(=O)c1cc(O)cs1 732279276 ORRXEXLKZUGRJE-ZDUSSCGKSA-N 317.410 3.310 10 10 DGCE Cc1ccc(O)c([C@@H](C)N[C@@H]2CCCc3c2ccc(=O)n3C)c1 846215078 JZQSAQDDUNWBOO-CZUORRHYSA-N 312.413 3.128 10 10 DGCE CCOc1ccc(CN[C@H](C2CC2)[C@H]2CCCCO2)c(O)c1 848559144 AVHKQJJNTJZUAI-QZTJIDSGSA-N 305.418 3.228 10 10 DGCE Cc1cc(O)c(CN2CCC[C@@H]([C@H]3CCCN3)C2)c(Cl)c1 843045988 SACSSDKKCSADLR-CZUORRHYSA-N 308.853 3.318 10 10 DGCE CC[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1O)[C@@H]1CCCCO1 848567909 SLJGDGWLBLJDSX-PJODQICGSA-N 308.378 3.299 10 10 DGCE Cc1ccc([C@H](C)N[C@@H]2C(=O)N(C)Cc3ccccc32)c(O)c1C 857875139 HFURNZDIKRYGBT-KSSFIOAISA-N 324.424 3.373 10 10 DGCE CN(Cc1cc2c(cc1O)OCO2)C[C@H]1CCc2ccccc21 853611085 WGZOBOBTMVYVDW-CQSZACIVSA-N 311.381 3.283 10 10 DGCE Cc1cc(Br)c(O)c(CN(C)Cc2ccncc2)c1 757887731 JIZQKVWVDCUUKJ-UHFFFAOYSA-N 321.218 3.490 10 10 DGCE CC[S@](=O)CCN[C@@H](C)c1ccc(Cl)c(Cl)c1O 756576155 LFXBDDZPKPAUMX-ASCAZGACSA-N 310.246 3.118 10 10 DGCE COc1ccc(N2CC[C@H](NCc3cccc(F)c3F)C2)cc1 850347388 RRYNXIDXZRBXIA-AWEZNQCLSA-N 318.367 3.342 10 10 DGCE CCO[C@@H](CN[C@@H](C)c1ccc2ccccc2c1O)CN(C)C 926965054 ZWEGWFBGTHJFBH-HOCLYGCPSA-N 316.445 3.163 10 10 DGCE CN(C)c1ccc([C@H](O)[C@@H]2CC[C@@H]2NC(=O)OC(C)(C)C)cc1 1898007667 XWCJXJFCZFLDFY-PMPSAXMXSA-N 320.433 3.089 10 10 DGCE CO[C@@H](C)CN(C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(C)C 776237579 CFQYQBUFBWKKNL-GJZGRUSLSA-N 321.465 3.269 10 10 DGCE Cc1ccc(S(=O)(=O)Nc2nc(-c3ccco3)cs2)o1 773366041 NRDWZVICZGLSMT-UHFFFAOYSA-N 310.356 3.105 10 10 DGCE CC[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CCS1 896751776 PBTDDOOYKHJFKN-JTQLQIEISA-N 323.439 3.280 10 10 DGCE COCC(C)(C)CCNC(=O)c1cc2cc(O)c(O)cc2s1 899193706 VUOINBUPBLTCTH-UHFFFAOYSA-N 323.414 3.105 10 10 DGCE C[C@@H]1CN(Cc2ccccc2)C[C@H]1CNCc1ccccc1O 708551280 KFHBBYFMQFTGRR-VQIMIIECSA-N 310.441 3.250 10 10 DGCE C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1cccc(C2CC2)c1 1141451080 NXMWAOODLVIBHA-GFCCVEGCSA-N 311.381 3.395 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)c1ccc(F)c(O)c1 1150386879 NDCBALZDHOIVGT-UHFFFAOYSA-N 315.344 3.046 10 10 DGCE CNc1ccc(C(=O)NCc2cc(C)ccc2O)c(Cl)c1 1301047289 VVYWEEXGDHSART-UHFFFAOYSA-N 304.777 3.326 10 10 DGCE C[C@]1(C(=O)NCc2ccc(N3CCSCC3)cc2)C=CCC1 1333407974 AIUFSYYDBLKAML-SFHVURJKSA-N 316.470 3.212 10 10 DGCE C[C@@H](C(=O)O)N(CCCc1ccc(N)cc1)Cc1ccccc1 1902396740 IVVWHRNVQQHNJG-HNNXBMFYSA-N 312.413 3.177 10 10 DGCE C[C@@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)[C@H]1CCCO1 1264286941 DPJFFIMPOMDHQI-CRAIPNDOSA-N 316.445 3.060 10 10 DGCE [N-]=[N+]=NCCCN[C@@H](C(=O)O)c1ccc(F)c(Cl)c1F 1912156404 OOGCBYXKSBNQTR-SNVBAGLBSA-N 304.684 3.034 10 10 DGCE CN(CCN=[N+]=[N-])C(=O)C=Cc1ccc(Br)cc1 1912156571 MUIQSVJBEKTFBJ-UHFFFAOYSA-N 309.167 3.231 10 10 DGCE COC(=O)c1cc(OCc2ccccc2F)ccc1N(C)C 1459240736 PGGDSPDGSONFCP-UHFFFAOYSA-N 303.333 3.257 10 10 DGCE CCN(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(O)c(O)c1 1290758489 VKEFVBZECGVUGL-UHFFFAOYSA-N 319.788 3.342 10 10 DGCE C[C@H](CCO)N(Cc1ccccc1)c1ccc(CN)c(F)c1 1915382820 AKYRYYJAQUPRBX-CQSZACIVSA-N 302.393 3.062 10 10 DGCE CC(C)[C@H](CO)N(Cc1ccccc1)c1ccc(CN)c(F)c1 1915327051 YXAKIHBPMBZGFE-IBGZPJMESA-N 316.420 3.308 10 10 DGCE OCc1ccc(N2CC[C@H]2C(F)(F)F)c(Br)c1 1916188214 HFWHYYLWSCEXPO-JTQLQIEISA-N 310.113 3.082 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N2CCc3ccccc3CC2)cc1 1465182121 VIHJHXKMBCYSEO-UHFFFAOYSA-N 322.368 3.090 10 10 DGCE O=C(NCCc1ccc(O)c(O)c1)c1[nH]ccc1-c1ccccc1 1545669283 SPCCUXUEAYIBCW-UHFFFAOYSA-N 322.364 3.065 10 10 DGCE O=C(Cc1cscn1)NCc1cc(Cl)cc(Cl)c1O 1629136744 KTICAMFEKROKAJ-UHFFFAOYSA-N 317.197 3.014 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccc2occc2c1 1628833546 FKEXEKYBBSMUPV-UTCJRWHESA-N 309.321 3.174 10 10 DGCE O=Cc1ccc(C(=O)NCc2c(O)ccc3ccccc23)s1 1639387698 OYJAMKBTOUBEFD-UHFFFAOYSA-N 311.362 3.349 10 10 DGCE C/C(=C\c1ccc(Cl)cc1)C(=O)NCc1ccc(O)cc1O 1638352686 UIVROYUEWPPTRF-DHZHZOJOSA-N 317.772 3.471 10 10 DGCE CC1(C)CN(C(=O)/C=C\c2cncc(O)c2)c2cc(F)ccc21 1644331133 SBWBJTUMQLXFMK-UTCJRWHESA-N 312.344 3.264 10 10 DGCE C/C(=C\c1cccnc1)C(=O)NCc1ccc2cccnc2c1O 1643284762 KPAKCSLTYCJUBL-JLHYYAGUSA-N 319.364 3.055 10 10 DGCE CCCOc1ccc(CN2CC[C@@H](N(CC)CC)C2)c(O)c1 156013616 FNZBBDTUXCSEKZ-MRXNPFEDSA-N 306.450 3.097 10 10 DGCE COc1cc(O)c(CN(C)CCc2ccc(F)cc2)cc1OC 159924788 AMIWZRLPIBEJNC-UHFFFAOYSA-N 319.376 3.223 10 10 DGCE CCC(CC)c1n[nH]c(=Nc2cc([N+](=O)[O-])ccc2O)s1 1859843199 LOYLXFWQWBIQDD-UHFFFAOYSA-N 308.363 3.221 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CCCC[C@]1(N)c1ccccc1O 1933869972 BPOREPYCICVSMJ-YOEHRIQHSA-N 306.406 3.014 10 10 DGCE CN(Cc1cc(N)ccc1O)C1CC(OCc2ccccc2)C1 1939608369 ZCGPQWPQMMXMSI-UHFFFAOYSA-N 312.413 3.154 10 10 DGCE CC(C)(C)OC(=O)N1CCN(CCCN=[N+]=[N-])C2(CC1)CC2 1962288486 WYVKSGCVZFOQOH-UHFFFAOYSA-N 309.414 3.162 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CN(CCN=[N+]=[N-])C2(CCCC2)C1 1962302806 CGDAVLOZQCMVRH-GFCCVEGCSA-N 309.414 3.209 10 10 DGCE C[C@@H](N[C@H]1CCCC2(CC1)OCCO2)c1ccc(N(C)C)cc1 1967519141 BRKGCSHYBXXBLZ-WBVHZDCISA-N 318.461 3.479 10 10 DGCE CC1(C)CCO[C@@H]1CNCc1cccc(Br)c1O 1967840359 DXUFBNQGQWZMJQ-GFCCVEGCSA-N 314.223 3.059 10 10 DGCE CN[C@H](c1cscc1Cl)[C@@H](O)c1ccc(N(C)C)cc1 2148340931 VGVHGZMIINKPIL-CABCVRRESA-N 310.850 3.462 10 10 DGCE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2Nc1ccc(N)cc1 1977682115 LNZJFGDTRSMLHE-HNNXBMFYSA-N 317.433 3.470 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2CCCN(c3ccc(N)cc3)[C@H]2C1 1977967120 CFHNPGNVFXBXJV-BBRMVZONSA-N 317.433 3.105 10 10 DGCE CC(C)(C)OC(=O)N[C@H](CC1CCC1)[C@@H](N)c1ccccc1O 1986008850 QNOOKRVIAIULPE-ZBFHGGJFSA-N 320.433 3.476 10 10 DGCE O[C@H]1CCc2cc(N(Cc3ccccc3)[C@H]3CCOC3)ccc21 1986602210 CJKGOOZULCEMNA-ICSRJNTNSA-N 309.409 3.462 10 10 DGCE CN[C@H](c1ccc(Cl)s1)[C@@H](O)c1ccc(N(C)C)cc1 2147640320 DBGFRMHTSZWVRW-CABCVRRESA-N 310.850 3.462 10 10 DGCE CN(C)c1ccc([C@@H](O)c2csnc2Br)cc1 1999512010 LHZYEHLFCRJBJR-LLVKDONJSA-N 313.220 3.053 10 10 DGCE C[C@@H]1C[C@H](CN(C)Cc2cc(Br)ccc2O)CO1 2040273534 FOSXZVTWFQICHL-GHMZBOCLSA-N 314.223 3.012 10 10 DGCE CN(Cc1cncc(Br)c1)c1ccc(CN)c(F)c1 705559025 WFLHZWKZQBKCGD-UHFFFAOYSA-N 324.197 3.078 10 10 DGCE CSC[C@H]1CCN(c2ccc(CO)c(C(F)(F)F)c2)C1 706757548 YSSSDSXXYMUDFH-JTQLQIEISA-N 305.365 3.387 10 10 DGCE COc1cccc(O)c1[C@@H](C)n1nc(-c2ccccc2)cc1CO 2070171753 IRVZLYQXXZQWSH-CYBMUJFWSA-N 324.380 3.366 10 10 DGCE CC(C)Cc1cnn(Cc2cccc(C(F)(F)F)c2O)c1N 2070259989 QFAIIDLKUXKPLF-UHFFFAOYSA-N 313.323 3.437 10 10 DGCE Cc1ccc([C@H](C(C)C)n2nc(C3CC3)c(CN)c2N)c(O)c1 2079004238 NWSGCTAHGXIRQL-KRWDZBQOSA-N 314.433 3.061 10 10 DGCE Cc1cc(Br)cc(CN(C)[C@@]2(C)CCOC2)c1O 2055447429 FQOGQBYGEJBWRK-AWEZNQCLSA-N 314.223 3.074 10 10 DGCE COc1ccc(O)c([C@@H](C)N[C@@H]2CCC=C2Br)c1 2076080962 ZGUKXAZLZSSSCU-NOZJJQNGSA-N 312.207 3.493 10 10 DGCE Cc1c(Br)cccc1CNCc1ccc(O)c(O)c1 2087357570 OXRHVSDUAXRRKY-UHFFFAOYSA-N 322.202 3.459 10 10 DGCE CN(C(=O)OC(C)(C)C)[C@@]12CCC[C@@H](CN(CCN=[N+]=[N-])C1)C2 2210789606 GSKXKZMHLGASKR-CZUORRHYSA-N 323.441 3.408 10 10 DGCE CS[C@@H](CNCc1ccc(Br)cc1O)C1CC1 2212995839 SEBNWMSNMLGPTE-ZDUSSCGKSA-N 316.264 3.386 10 10 DGCE COc1ccc(Br)c(CNCC2CCCC2)c1O 2220463010 VARPAZLSVBVEIW-UHFFFAOYSA-N 314.223 3.443 10 10 DGCE C[C@H](N)c1ccc(N(C)CC2(F)CCOCC2)c(Cl)c1 2238279067 JHIWZFIXJSUXKY-NSHDSACASA-N 300.805 3.315 10 10 DGCE CSc1ncc(CNc2nc(C)c(C)cc2C(N)=S)s1 2284675289 ZEBCQBMDJDWNOQ-UHFFFAOYSA-N 324.500 3.123 10 10 DGCE CC[C@H](CCCO)NCc1ccc(C)c(Br)c1O 2327791024 YIELWFYVOOSEEO-GFCCVEGCSA-N 316.239 3.104 10 10 DGCE CCCN[C@@](CO)(CSc1nccs1)CC1CCC1 2340831354 DMBCZDPBQVXKEE-AWEZNQCLSA-N 300.493 3.156 10 10 DGCE O=C1c2cc3c(cc2C(=O)C1c1ccc(Cl)cc1)OCO3 100358655 NLMMOSXJODJUCD-UHFFFAOYSA-N 300.697 3.232 10 10 DGCE C[C@@H]1CCCCN1c1cc(Br)c(CN)cc1F 310401579 JGSGXRMHCWKDKT-SECBINFHSA-N 301.203 3.426 10 10 DGCE CCOc1cc(C(=O)NCc2cccc(OC)c2O)ccc1C 113423324 XCVABJUCTZQZHU-UHFFFAOYSA-N 315.369 3.038 10 10 DGCE C[C@@H](N)c1ccc(N2CCSCC2)c(Br)c1 61694579 WQYQNYQKVBWZHX-SECBINFHSA-N 301.253 3.022 10 10 DGCE Cc1cccc2c1OCC[C@@H]2NCc1cc([N+](=O)[O-])ccc1O 188948508 SNJNUZHGPFBCAE-HNNXBMFYSA-N 314.341 3.222 10 10 DGCE CC(C)(C)OC(=O)N[C@@H](C(=O)O)c1cc2ccccc2cc1O 1951381822 QEZVCYLFPOPOFY-CQSZACIVSA-N 317.341 3.196 10 10 DGCE COc1ccc(Br)c(CNC2CC(C)C2)c1O 1964048384 MUTDXOUOVNMTGF-UHFFFAOYSA-N 300.196 3.051 10 10 DGCE CSc1ccc(NC(=O)CCOc2ccc(N)cc2)cc1 40296869 VDBDGBFGNPTRBW-UHFFFAOYSA-N 302.399 3.398 10 10 DGCE Cc1cc(C(=O)N2CCC[C@](C)(O)C2)c(C)n1-c1ccccc1 133652140 TUCSJYCVNWZJBB-IBGZPJMESA-N 312.413 3.081 10 10 DGCE CO[C@@]1(C)CCN([C@@H](C)c2cc(Br)ccc2O)C1 381134513 ADIWXXVIBAYZMM-HZMBPMFUSA-N 314.223 3.327 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)C(=O)Nc1ccc(F)cc1F 96785400 XPOOJTZKCGWVJB-VIFPVBQESA-N 307.296 3.193 10 10 DGCE CCOc1ccc(O)c(CN[C@]2(CO)C[C@H](C)CC(C)(C)C2)c1 236852778 XPTWSRRAFZYNIO-AUUYWEPGSA-N 321.461 3.458 10 10 DGCE C[C@@H](Cc1ccsc1)N(C)Cc1cc2c(cc1O)OCO2 93705821 YMWRPTUCRWYHTL-NSHDSACASA-N 305.399 3.245 10 10 DGCE COc1cc2c(c(OC)c1)N(Cc1nn(C)cc1Cl)CCC2 817276812 PWLVXBQPJZSFPU-UHFFFAOYSA-N 321.808 3.044 10 10 DGCE CC[C@@H](c1c(Br)ccc(C)c1O)N1CCOCC1 575302840 SDWZXVYACUFNDW-LBPRGKRZSA-N 314.223 3.246 10 10 DGCE CCCN(C)C[C@@H]1CCN(C/C=C/c2ccc(N(C)C)cc2)C1 835027116 BJQSDCNUTLPSRF-GHOSXJJBSA-N 315.505 3.430 10 10 DGCE Cc1cc(Br)c(O)c(CN2C[C@@H]3C[C@H]2CS3)c1 839192366 OCYBFBBZFRCJBD-QWRGUYRKSA-N 314.248 3.153 10 10 DGCE CN(Cc1ccc(N2CCCCC2)cc1)C[C@@]1(C)CCNC1 843059465 MJEKQJDJYMJBLS-IBGZPJMESA-N 301.478 3.108 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N(C)C1CCC1 840478988 KWIGLRIUIMFYQV-CQSZACIVSA-N 303.450 3.186 10 10 DGCE C[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@@]1(C)CN 841088118 YACITSBXMKSJQM-VQIMIIECSA-N 301.478 3.094 10 10 DGCE COC(=O)/C(C)=C/CN1CCCc2cc(OC(F)F)ccc21 748814310 ZBSKWYGINOXMQH-YRNVUSSQSA-N 311.328 3.160 10 10 DGCE CC[C@H](NC[C@@]1(C(F)(F)F)CCCN1)c1ccccc1O 925853365 INULGCWVLYLHKD-GXTWGEPZSA-N 302.340 3.117 10 10 DGCE Cc1noc(C(C)C)c1NC(=O)/C=C/c1ccc(O)c(O)c1 928786072 OSXVWPHJSGQMLT-FNORWQNLSA-N 302.330 3.170 10 10 DGCE COc1ccc(N2CC[C@H](NCc3cc(F)ccc3F)C2)cc1 850345462 BAKJDQDPTYAKRJ-HNNXBMFYSA-N 318.367 3.342 10 10 DGCE CC[C@H](NC[C@@H]1CCC(=O)N1)c1cc(Cl)cc(Cl)c1O 850548214 ZBJUFJVEVNTHSE-CABZTGNLSA-N 317.216 3.018 10 10 DGCE Oc1cccc2c1[C@@H](N[C@@H]1CNCC[C@@H]1c1ccccc1)CC2 854221939 CCWNHRSHSBVMRG-FGTMMUONSA-N 308.425 3.115 10 10 DGCE COC[C@@H](N[C@H](C)c1cc(Cl)ccc1O)C1CCOCC1 850494741 XURQAPUUXAFVDH-IAQYHMDHSA-N 313.825 3.138 10 10 DGCE C[C@@H]1NCC[C@H]1N[C@H](C)c1ccc(N2CCCCC2)c(F)c1 863545923 BHNYBUOUPSIONK-JKIFEVAISA-N 305.441 3.217 10 10 DGCE O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NCc1ccc2cccnc2c1O 862029130 RMPFKKCRUIXDPY-NOLJZWGESA-N 310.397 3.383 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)C[C@H](C)c1ccco1 935944986 GTTIFVVTUCASKP-LBPRGKRZSA-N 308.374 3.281 10 10 DGCE Cc1cc(C)cc(CS(=O)(=O)N[C@@H](C)c2ccccc2O)c1 867836274 MCEAOWTUCNWXJE-AWEZNQCLSA-N 319.426 3.190 10 10 DGCE O=C(c1ccc(OCC2CC2)cc1)N1Cc2cccc(O)c2C1 871201132 PHVINWHXDOQFNB-UHFFFAOYSA-N 309.365 3.337 10 10 DGCE CO[C@H](C(=O)Nc1c(Cl)ccc2nonc12)C1CCCC1 1118784350 RAFJOGZLXSJOOV-ZDUSSCGKSA-N 309.753 3.020 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 1135797916 WINPHICLVGYMON-SOUVJXGZSA-N 303.402 3.115 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNCC[C@H](O)C(F)(F)F 717410430 ZRZMYIXTWGFRJR-VIFPVBQESA-N 318.122 3.102 10 10 DGCE COc1cc(C)cc(CN2CC[C@H](C(F)(F)F)[C@@H]2C)c1O 794659143 LMHBKJYFTMOUQX-JQWIXIFHSA-N 303.324 3.482 10 10 DGCE C/C(=C\c1ccncc1)C(=O)NCc1cccc(Cl)c1O 1305084365 IMJWXKNDXQUAJN-PKNBQFBNSA-N 302.761 3.160 10 10 DGCE Cc1noc(-c2ccc(C(=O)N[C@H](C)c3ccccc3O)cc2)n1 1171723741 ZPSQBDWVBXOXKR-LLVKDONJSA-N 323.352 3.242 10 10 DGCE C[C@@H](CN1CCC(CN=[N+]=[N-])CC1)C(=O)OCc1ccccc1 1912155169 GIMDPEAYHFHISU-AWEZNQCLSA-N 316.405 3.388 10 10 DGCE CCc1oc2ccccc2c1C(=O)NCc1c(O)cccc1O 1635847380 NEUFTWLBUALULS-UHFFFAOYSA-N 311.337 3.336 10 10 DGCE CC(C)COC(=O)CN(C)c1ccc(-c2nccs2)cc1 1654679003 QFHRXGMDBDPVQN-UHFFFAOYSA-N 304.415 3.446 10 10 DGCE COc1ccc(C)cc1CC(=O)NCc1cccc(Cl)c1O 1653563614 FUPZUXMBJZPVRB-UHFFFAOYSA-N 319.788 3.222 10 10 DGCE C[C@H]1C[C@H](Nc2ccc(N)cc2)CN(C(=O)OC(C)(C)C)C1 1959359742 PGXPRIFCJPUFLG-WFASDCNBSA-N 305.422 3.326 10 10 DGCE Cc1cc(CCNC(=S)NC2CC2)c(C)n1-c1ccccc1 15156229 VNJAAUQAFHJSFW-UHFFFAOYSA-N 313.470 3.263 10 10 DGCE C[C@H]1C[C@H](C)CN(/N=N/c2ccc3c(c2)OCC(=O)N3C)C1 1860487982 YGFIBCFAJYJDSE-JHCSOYONSA-N 302.378 3.018 10 10 DGCE CCC1=NN(C)C(=O)/C1=C/c1ccc(OC(C)C)c(OC)c1 1865671185 OLLWDCYWXXTNND-UKTHLTGXSA-N 302.374 3.104 10 10 DGCE C[C@@H]1CCC[C@@H](CNC(=O)OC(C)(C)C)N1CCCN=[N+]=[N-] 1962287057 FEOVKPHTAIXCAP-OLZOCXBDSA-N 311.430 3.455 10 10 DGCE C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CCN1CCCN=[N+]=[N-] 1962303901 JSIMKDPTQPWYKQ-STQMWFEESA-N 311.430 3.312 10 10 DGCE CC1(CNCc2cc(Br)cc(F)c2O)CSC1 1947407794 LBMOTWBMVKWICK-UHFFFAOYSA-N 320.227 3.137 10 10 DGCE CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H](O)c1ccc(N(C)C)cc1 1977939498 QKUXOWGXEDDZFW-CZUORRHYSA-N 322.449 3.432 10 10 DGCE CN(Cc1cnsc1Br)c1ccc(CN)cc1 2007014216 AGKQRONSOGDXEW-UHFFFAOYSA-N 312.236 3.001 10 10 DGCE C[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)[C@H](CN)C1 300087787 KWBXBYVIKHMMGS-CABZTGNLSA-N 303.233 3.258 10 10 DGCE CS(=O)(=O)c1ccc(SCCc2ccc(N)cc2)cc1 63131091 ANITVXWXJKMTLW-UHFFFAOYSA-N 307.440 3.007 10 10 DGCE COc1cc(Cl)cc(CNCC[C@H]2CCSC2)c1O 704800773 YKUJDZQZNXOCKG-JTQLQIEISA-N 301.839 3.287 10 10 DGCE NCc1ccc(N2CCC[C@H](CF)C2)c(F)c1Br 711482684 RRKQWVURYMGRKH-SECBINFHSA-N 319.193 3.233 10 10 DGCE CCc1nn([C@H](c2cc(C)c(C)cc2O)C(C)C)c(N)c1CN 2079945465 HXSCHIFBSBATQK-KRWDZBQOSA-N 316.449 3.054 10 10 DGCE CNCc1ccc(N(C)[C@H]2CCC[C@H]2F)cc1Br 2055374279 VLMZUGQVTVYZIL-KGLIPLIRSA-N 315.230 3.495 10 10 DGCE CN(CC1(Cl)CC1)c1ccc(CN)c(Br)c1 2212032537 LKSJGOXZRHJBAP-UHFFFAOYSA-N 303.631 3.115 10 10 DGCE CCN[C@@](CSc1nccs1)(C(=O)O)C1CCCCC1 2208156326 LGFFGTBGBTWMID-CQSZACIVSA-N 314.476 3.248 10 10 DGCE Nc1ccc(C[C@@H](O)Cc2c(F)cccc2Br)cc1 2273857671 ZMZYVKUXCSLVDU-GFCCVEGCSA-N 324.193 3.317 10 10 DGCE CNCc1ccc(N(C)[C@H]2C[C@@H]3C[C@@H]3C2)cc1Br 2222765220 VGZVSBASLRWSHH-DABQJJPHSA-N 309.251 3.403 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1[C@H]2CCC[C@@H]1CNC2 2226300101 WNBVDSKANXXRIJ-TXEJJXNPSA-N 301.217 3.025 10 10 DGCE CSc1ncc(CN=c2[nH]nc(C(F)(F)F)cc2C)s1 2284497538 GDWDJAPVCZPPEE-UHFFFAOYSA-N 320.365 3.016 10 10 DGCE CC(=Cc1ccc(C)cc1)C(=O)NCCc1ccc(O)c(O)c1 2307787440 OMYREKBZHRSHCC-UHFFFAOYSA-N 311.381 3.168 10 10 DGCE C[C@@H]1CN(C(=O)C=Cc2ccc(O)c(O)c2)[C@H]2CCCC[C@H]12 2308248225 LQUBEQVKKWFFSM-YUELXQCFSA-N 301.386 3.148 10 10 DGCE CCNCc1ccc(N(CCF)CCF)c(Br)c1 2317595194 WYQYTOIHPHJYPB-UHFFFAOYSA-N 321.209 3.304 10 10 DGCE CCCOC(=O)c1ccc(N=NN2CCC(C(=O)O)CC2)cc1 2330156577 CAGGKRUTRLVLIS-UHFFFAOYSA-N 319.361 3.049 10 10 DGCE CN1CCC(N(C)N=Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 2330196943 GOIXZPDPUZPRMC-UHFFFAOYSA-N 311.773 3.273 10 10 DGCE CCCC1=NN(CCC)C(=O)C1=Cc1ccc2c(c1)OCCO2 2332127247 CIXNKGUWOHLTDW-UHFFFAOYSA-N 314.385 3.250 10 10 DGCE CO[C@@H]1CC[C@H](NCc2ccc(C)c(Br)c2O)C1 2327624733 UOANYUKFONSAKS-NWDGAFQWSA-N 314.223 3.120 10 10 DGCE Cc1ccc(CN[C@H]2CC[C@@H](C)OC2)c(O)c1Br 2327800310 ITIJXDOOCHICET-PWSUYJOCSA-N 314.223 3.120 10 10 DGCE Cc1c([C@@H](NCCN=[N+]=[N-])C(=O)O)ccc(Cl)c1Cl 2340469375 MATDGHTUWUOMQK-SNVBAGLBSA-N 303.149 3.327 10 10 DGCE CC(C)NC(=O)CCN(C)Cc1ccc(N2CCCCC2)cc1 51476349 OTMWYQKARSDRJC-UHFFFAOYSA-N 317.477 3.023 10 10 DGCE Cc1cccc2nc(C(=O)O)c(/N=N\c3ccc4c(c3)OCO4)n12 103994428 FMNWPRKEAZDNFB-HNENSFHCSA-N 324.296 3.485 10 10 DGCE C[C@@H](OC(=O)/C=C/c1ccc(N2CCOCC2)cc1)C1CCC1 177276679 PQIPCDSFFZBNDY-JOZWUWCOSA-N 315.413 3.268 10 10 DGCE C[C@H](NCC(=O)Nc1ccc(F)cc1)c1ccc(F)c(F)c1O 187682358 DFGZXULLOFUOAE-VIFPVBQESA-N 324.302 3.099 10 10 DGCE COc1cc(N(C)Cc2ccc(C)nc2C)cc(OC)c1OC 187079866 YZUWVKUVCHUJTB-UHFFFAOYSA-N 316.401 3.361 10 10 DGCE C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ccc(N)cc1 37902101 RNDKIDOTYNYPDK-VIFPVBQESA-N 308.740 3.467 10 10 DGCE CC(=O)N(C(=O)N/C=C/c1ccccc1C)c1ccc(N)cc1 217657855 YESQJIIJEXMEQL-VAWYXSNFSA-N 309.369 3.311 10 10 DGCE Cc1ccc([C@@H]2CCCCN2C(=O)c2cccc(O)c2O)o1 193089041 BTTDSSMQPZYIAZ-ZDUSSCGKSA-N 301.342 3.367 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(F)c1N 322391306 QJAXBEGQSXRLKJ-UHFFFAOYSA-N 315.392 3.136 10 10 DGCE C[C@@H]1CN(c2ccc(CN)c(Br)c2)C[C@@H](C)S1 228153158 PJAANVQWHFXUJJ-NXEZZACHSA-N 315.280 3.238 10 10 DGCE CCOc1cccc(CN2CCO[C@H](c3ccc(C)o3)C2)c1O 93864809 TZPCCMWHTJOBNY-KRWDZBQOSA-N 317.385 3.266 10 10 DGCE COc1cccc(CN2CCO[C@H](c3ccsc3)C2)c1O 93768496 PBDCDNBAGJEJAN-HNNXBMFYSA-N 305.399 3.036 10 10 DGCE CCOc1ccc(O)c(CN(C)C2(C(=O)OC)CCCCC2)c1 93359800 AKJJVHLWERVJQZ-UHFFFAOYSA-N 321.417 3.099 10 10 DGCE CN(C)c1ccc([C@H](N)Cc2cncc(Br)c2)cc1 97416927 WBNUFWYOILXERW-OAHLLOKOSA-N 320.234 3.153 10 10 DGCE CN(CCOCc1ccccc1)c1ccc(CN)cc1Cl 383894931 DAXBXXPHTIZLDT-UHFFFAOYSA-N 304.821 3.452 10 10 DGCE N[C@@H](c1cc(Br)cc(Cl)c1O)C(F)(F)F 95716340 DYGBMCIWNVRTJX-ZETCQYMHSA-N 304.493 3.370 10 10 DGCE CC(=O)N(C(=O)Oc1ccc(Cl)cc1)c1ccc(N)cc1 242652490 CRROGPISNJKJLM-UHFFFAOYSA-N 304.733 3.474 10 10 DGCE C[C@H]1CN(c2ccc(CNC(C)(C)C)cc2Cl)CC[C@H]1O 253191651 MYIKJJBGKDRSFD-BLLLJJGKSA-N 310.869 3.435 10 10 DGCE c1ccc([C@H](NCc2ccc3c(c2)CCO3)[C@@H]2CCOC2)cc1 374472551 QMYRATIGSGFCOT-QUCCMNQESA-N 309.409 3.489 10 10 DGCE COC1CCN(c2ccc(CN3CCCSCC3)cc2)CC1 294898577 GYJCNQIGJXINAD-UHFFFAOYSA-N 320.502 3.241 10 10 DGCE CNCc1ccc(N(C)Cc2cnn(C)c2Cl)c(Cl)c1 2166133240 ZNTAAJQITHHRMY-UHFFFAOYSA-N 313.232 3.083 10 10 DGCE Cc1ccc([C@H](C)NC[C@@H]2CC[C@H](C(F)(F)F)O2)c(O)c1 903177887 CBFZSBLVVRDHBP-COPLHBTASA-N 303.324 3.461 10 10 DGCE Cc1ccc(C[C@@H](CO)NC/C=C\c2ccc(N(C)C)cc2)cc1 835049456 DSKPVESOQAQKSV-FBQMEGEOSA-N 324.468 3.267 10 10 DGCE C[C@@H](NCCc1cn(C)cn1)c1cc(Cl)c(Cl)cc1O 840766489 NNIIAFYAVIKEPB-SECBINFHSA-N 314.216 3.326 10 10 DGCE C[C@H](NC(=O)N[C@H]1CCS[C@H](C)C1)c1ccc(N(C)C)cc1 922054871 MQWRRXZBYLACEE-IPYPFGDCSA-N 321.490 3.397 10 10 DGCE Cc1cc(O)c(CNC[C@H]2CCCN2CC(F)F)c(Cl)c1 858232055 SHFNOXBKLRNYQW-LLVKDONJSA-N 318.795 3.173 10 10 DGCE Cc1ccc(/C=C/C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)cn1 754265332 AOWMVVYCWPLMGB-RMKNXTFCSA-N 323.352 3.291 10 10 DGCE CC(C)[C@H]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 755967640 APOMPALNGSKXJA-KRWDZBQOSA-N 315.461 3.257 10 10 DGCE CN(C)c1cc(F)c(CN2CC(CC(F)(F)F)C2)cc1F 862389253 ICHABDZFEGSQSI-UHFFFAOYSA-N 308.294 3.415 10 10 DGCE O=C(NCc1ccccc1O)[C@@H](Cc1cccnc1)C1CCCC1 866755901 OGYBRUFFNUWLMM-SFHVURJKSA-N 324.424 3.453 10 10 DGCE Oc1ccc2c(c1)CN(Cc1ccc(N3CCCC3)cc1)CCO2 1118630939 PUYKWAPXUUUZBN-UHFFFAOYSA-N 324.424 3.387 10 10 DGCE Nc1ccc(N[C@H]2CC[C@H]2NC(=O)OCc2ccccc2)cc1 1954645111 XMBCVZDUSBTSQM-DLBZAZTESA-N 311.385 3.138 10 10 DGCE O=C(Nc1ccccc1)C1(NCc2cc(Cl)ccc2O)CC1 778218438 RPMMBNQIQKFJTB-UHFFFAOYSA-N 316.788 3.307 10 10 DGCE O=C(CCn1cnnn1)Nc1ccc(N=Nc2ccccc2)cc1 1124109182 SIGQFBMGPVQVMQ-UHFFFAOYSA-N 321.344 3.117 10 10 DGCE C[C@H]1CCC[C@@H](C)N1Cc1ccc(N2CCCNCC2)cc1 84857336 NUEJMFGZDUBZMB-CALCHBBNSA-N 301.478 3.249 10 10 DGCE Cn1nccc1[C@H]1CCCCN1Cc1c(O)ccc2ccncc12 799149776 SEKSDMYIXIXKKN-GOSISDBHSA-N 322.412 3.401 10 10 DGCE NCc1cc(F)c(N2C[C@@H]3CCCC[C@H]32)cc1Br 706786738 YERMAVACFHAEMR-TVQRCGJNSA-N 313.214 3.426 10 10 DGCE CCON(CC)C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC 1302621727 HDNCAYXDKSGTHO-UHFFFAOYSA-N 318.417 3.318 10 10 DGCE CCN(Cc1nn(CC)cc1Br)c1ccc(N)cc1 2124746340 QGLHRQHOSPYNBK-UHFFFAOYSA-N 323.238 3.274 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F 1328482738 QVMGAAXULBNMTG-FXAINCCUSA-N 315.747 3.343 10 10 DGCE COc1ccc(N(C)C(=O)/C=C/c2cccnc2C)cc1F 1355872980 XDRPWPHANJETTB-RMKNXTFCSA-N 300.333 3.214 10 10 DGCE COc1ccc(Cl)cc1C(=O)NCc1cc(C)ccc1O 1453653656 WMBPYHQBAZRULU-UHFFFAOYSA-N 305.761 3.293 10 10 DGCE CCC(=CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)CC 1616858238 JJSINMZCQAMYIG-SFHVURJKSA-N 317.477 3.218 10 10 DGCE CN(Cc1ccccc1O)C(=O)[C@@H]1Cc2ccc(Cl)cc21 1635657862 DGSVOYMPLYXWHR-OAHLLOKOSA-N 301.773 3.344 10 10 DGCE CN[C@@H](c1ccccc1O)[C@H](C)CCNC(=O)OC(C)(C)C 1928464255 DBZFXQBIRBOUAU-IUODEOHRSA-N 308.422 3.204 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](Nc3ccccc3N)[C@H]1C2 1959360109 VYSHGDZLTUVLDU-BYCMXARLSA-N 303.406 3.079 10 10 DGCE CCNCc1ccc(N2CCO[C@@H](C)C2)c(C(F)(F)F)c1 163655947 AWQNOLFWHVIDSM-NSHDSACASA-N 302.340 3.040 10 10 DGCE CC[C@@H]1CN(c2ccc(CNC)cc2C(F)(F)F)CCO1 163675699 RQXMVYIWTAHLSW-GFCCVEGCSA-N 302.340 3.040 10 10 DGCE CN1CCN(c2ccc(NN=NCCc3ccccc3)cc2)CC1 1860492631 CBTZIOYCWKAVNG-UHFFFAOYSA-N 323.444 3.460 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@H]1CC2(CCC2)[C@H]1O 2140680649 WSQYDPOGIBSVAD-AAEUAGOBSA-N 302.201 3.092 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@]1(C)CNCc1ccc(N)cc1 1939585603 JETXATWXCRLPOK-GOSISDBHSA-N 319.449 3.148 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCC[C@]1(C)[C@@H](N)c1ccccc1O 1936967291 GDPKFGSFMAAWQT-VKJFTORMSA-N 320.433 3.476 10 10 DGCE Oc1ccc(Cl)cc1CNCc1cccc2nsnc12 1206517767 YVHHNCLQHMPDSG-UHFFFAOYSA-N 305.790 3.340 10 10 DGCE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)c1ccc2c(c1)CCCN2C 1977935612 PWHBXGYMSPBUPB-BLLLJJGKSA-N 320.433 3.016 10 10 DGCE CCN[C@@H](CCNC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1977944182 BOUKQBNLKDPVQW-INIZCTEOSA-N 321.465 3.318 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(CCN=[N+]=[N-])CC1 1982242619 PJKBJXBOKSIUGD-CQSZACIVSA-N 323.441 3.408 10 10 DGCE COC(=O)CC1(CSc2ncc(CNC(C)C)s2)CC1 2155335091 VUVLIACHEIWTFY-UHFFFAOYSA-N 314.476 3.077 10 10 DGCE OCc1ccc(N2CCO[C@@H](c3cccs3)C2)c(Cl)c1 2171859014 KVARWDOAHMFSAK-CQSZACIVSA-N 309.818 3.472 10 10 DGCE O=C(O)[C@@H]1C[C@@]12CC[C@H]2NCc1cc(Cl)cc(Cl)c1O 2172502236 UYYOJWPCFWABTP-PXWWUCIGSA-N 316.184 3.042 10 10 DGCE CCC1(C)CN(c2cc(Br)c(CN)cc2F)C1 381914091 XOSTYVKYHKPGKM-UHFFFAOYSA-N 301.203 3.283 10 10 DGCE Cc1cccc(CNC2[C@H]3C[C@H]2CN(Cc2ccccc2)C3)c1O 399616087 BAAMJRYZCPZMHO-OALUTQOASA-N 322.452 3.311 10 10 DGCE COc1ccc([C@@H](C)n2nc(C3CCC3)cc2C=O)c(O)c1 2070004825 FGJHGMOWBNLIAK-LLVKDONJSA-N 300.358 3.287 10 10 DGCE CN(C)Cc1cc(C2CC2)nn1Cc1cccc(Cl)c1O 2070159189 YAUMKCOJAPYHCJ-UHFFFAOYSA-N 305.809 3.229 10 10 DGCE COc1ccc([C@H](C)n2nc(C3CC3)c(CO)c2Cl)c(O)c1 2080006661 RCPUMHYSDGTVEV-VIFPVBQESA-N 322.792 3.230 10 10 DGCE CO[C@H]1CN(c2ccc([C@@H](C)N)c(Cl)c2)CC(F)(F)C1 2185154286 MUYZWHXLWQFZCW-MWLCHTKSSA-N 304.768 3.220 10 10 DGCE C[C@H](N)c1ccc(N2C[C@@H]3C[C@@H]3[C@H]3C[C@@H]32)cc1Br 2053731498 WKYOMPVZTNEWKI-MSPKKARQSA-N 307.235 3.313 10 10 DGCE C[C@@H](N)c1ccc(N(C)Cc2ccno2)cc1Br 2082480179 XCRGNHLSNXRFGQ-SECBINFHSA-N 310.195 3.093 10 10 DGCE CN[C@H](C)c1ccc(N2CC=C[C@@H]2CF)cc1Br 2082870591 JDTVIWGIMRYCBN-ZYHUDNBSSA-N 313.214 3.444 10 10 DGCE COc1ccc(N(Cc2ccccc2)CC(F)F)c(CCN)c1 2211286597 LDUKROOHSMUVLO-UHFFFAOYSA-N 320.383 3.468 10 10 DGCE Oc1ccc(Br)cc1CNCCSC(F)F 2210134360 ZMUUTIXJWHLWIG-UHFFFAOYSA-N 312.179 3.200 10 10 DGCE Cc1cc([C@H](C)O)ccc1N1CCN(Cc2ccccc2)CC1 2212704568 QVLZXZBLLMCIBB-KRWDZBQOSA-N 310.441 3.371 10 10 DGCE CSc1ncc(CNC(=O)c2cc(C)cc(Cl)n2)s1 2269321003 YRKZZDGEALJGEB-UHFFFAOYSA-N 313.835 3.152 10 10 DGCE COc1ccc(Br)c(CN[C@H]2C[C@H]2C2CC2)c1O 2220461708 AAROEAKUYKQACB-CABZTGNLSA-N 312.207 3.051 10 10 DGCE COc1ncc(CN(C)c2cc(Cl)c(CN)cc2F)s1 2239963400 ZYYPARDIYOJCIF-UHFFFAOYSA-N 315.801 3.039 10 10 DGCE OCc1ccc(N2CC(F)(F)C3(CC3)C2)cc1Br 2263210453 QIWRGBISZVVMTD-UHFFFAOYSA-N 318.161 3.177 10 10 DGCE C[C@@H](OC(=O)C=Cc1ccc(N2CCOCC2)cc1)C1CCC1 2297774230 PQIPCDSFFZBNDY-OAHLLOKOSA-N 315.413 3.268 10 10 DGCE CCOc1ccc(N=NN2CCN(CC)CC2)cc1OCC 2330236292 NXAABHJELUVNQO-UHFFFAOYSA-N 306.410 3.120 10 10 DGCE Cc1ccc(CN[C@@H](C)c2cccnn2)c(O)c1Br 2352683885 LZMVHTLTVHRKPF-JTQLQIEISA-N 322.206 3.104 10 10 DGCE C[C@H](c1cc(Br)ccc1O)N(C)C[C@@H]1CCCO1 132958743 WRIZDSLJHRHZDH-PWSUYJOCSA-N 314.223 3.327 10 10 DGCE O=[N+]([O-])c1ccc(O)c(CN2CCS[C@@H]3CCCC[C@@H]32)c1 177209659 AELVXCAKAQPXFY-DZGCQCFKSA-N 308.403 3.160 10 10 DGCE CO[C@]1(C)CCN(c2ccc([C@H](C)N)c(Br)c2)C1 311159409 PGBDKULHPLTIFP-IINYFYTJSA-N 313.239 3.084 10 10 DGCE C[C@@H](NC(C1CC1)C1CC1)c1ccc(N2CCOCC2)cc1 177777004 BDRWEZOJXKXJQO-CQSZACIVSA-N 300.446 3.362 10 10 DGCE COC(=O)[C@@H](NCc1c(O)cccc1Cl)c1ccccc1 127318858 BFCCITNGDDOWGW-HNNXBMFYSA-N 305.761 3.050 10 10 DGCE Nc1ccc(CC(=O)NCc2ccccc2-c2nccs2)cc1 71700372 KPKSNTZHGWYYRB-UHFFFAOYSA-N 323.421 3.251 10 10 DGCE COc1ccc(O)c([C@H](C)NCc2noc3c2CCCC3)c1 182412746 OLLNYJSAVSSUFS-NSHDSACASA-N 302.374 3.118 10 10 DGCE COC(=O)[C@H]1CCN(Cc2c(O)ccc3ccccc23)C[C@H]1C 188116603 MVHPVBZIHINJFB-HIFRSBDPSA-N 313.397 3.176 10 10 DGCE Cc1ccc([C@@H](C)N[C@@H]2CCc3nc(C(C)C)nn3C2)c(O)c1 185997166 PHTDOJKVHGIANK-ZIAGYGMSSA-N 314.433 3.081 10 10 DGCE Cc1ccc(Cl)cc1OCC(=O)N(C)c1ccc(N)cc1 88729030 CUXGXCPVUCEFRB-UHFFFAOYSA-N 304.777 3.272 10 10 DGCE Cc1csc([C@H]2CN(Cc3ccc(N(C)C)cc3)CCO2)n1 92789693 QCNWFXXOJYMXJT-MRXNPFEDSA-N 317.458 3.091 10 10 DGCE CCN(C)c1ccc([C@H](C)N[C@H]2CCN(c3ccccn3)C2)cc1 246314691 DZCABWOLSWSRAI-WMZOPIPTSA-N 324.472 3.467 10 10 DGCE COc1cc(Cl)cc(CN2CCC(c3cnc[nH]3)CC2)c1O 363906589 IDSHIXOGJSAEPL-UHFFFAOYSA-N 321.808 3.157 10 10 DGCE Cc1cc(Cl)cc([C@H](C)NCC[C@@H](C)[S@](C)=O)c1O 808706796 VCDXELMWIKGAAT-FDMGOTLNSA-N 303.855 3.162 10 10 DGCE CCOC(=O)[C@@H]1CC[C@H](NCc2ccc3ccccc3c2O)C1 816598618 JUBIFOVZTNVTCU-ZBFHGGJFSA-N 313.397 3.367 10 10 DGCE CC(C)CC(=O)CCN(Cc1ccccc1O)C[C@H]1CCCO1 828062552 KGAMPULNKYQARX-GOSISDBHSA-N 319.445 3.379 10 10 DGCE CN(C)c1ccc(/C=C/CN(C)[C@H](CO)c2ccccc2)cc1 835053454 COWRAVANZPVKHC-AQKVLALTSA-N 310.441 3.431 10 10 DGCE C[C@H](COCC(F)(F)F)NC/C=C/c1ccc(N(C)C)cc1 835036563 LUQPVPHPXUQSFJ-MUBLQREKSA-N 316.367 3.323 10 10 DGCE COc1ccc(O)c(CNC(=O)NCC[C@H]2CCC[C@@H](C)C2)c1 734670009 CZVUDYUSVLWPDV-ZIAGYGMSSA-N 320.433 3.416 10 10 DGCE CC(C)n1ncc2c1C[C@@H](N[C@H]1CCc3cccc(O)c31)CC2 834783936 PKBCQNAIHZEFOI-HOTGVXAUSA-N 311.429 3.304 10 10 DGCE COc1ccc(N(Cc2cn(CC3CC3)nn2)CC2CC2)cc1 831593972 QYXJCIANQQJDHU-UHFFFAOYSA-N 312.417 3.113 10 10 DGCE Cc1ccc(CC[C@@H](C)NCc2cc3c(cc2O)OCO3)o1 742379418 BFVCADVCHLUHFN-LLVKDONJSA-N 303.358 3.133 10 10 DGCE COc1ccc(O)c([C@H](C)NCCc2noc3ccccc23)c1 846844476 NDYYPEJEKFJAHJ-LBPRGKRZSA-N 312.369 3.435 10 10 DGCE Cc1ncccc1OC[C@H]1CCCN1Cc1cc(F)ccc1O 841897078 TYMGXWPBQKZPNP-MRXNPFEDSA-N 316.376 3.278 10 10 DGCE COc1ccc(CN[C@@H](C)C(=O)OCc2ccccc2)cc1C 848920483 HMFRYPMUGSAYPK-HNNXBMFYSA-N 313.397 3.225 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCCC[C@@H]1C1CCC1 844124223 RSKAKEVSMBACTE-WKTRQSJXSA-N 301.386 3.292 10 10 DGCE Cc1c(Cl)c(CNCc2cc(Cl)ccc2O)nn1C 846054394 AMMDEQDKALYEAR-UHFFFAOYSA-N 300.189 3.031 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@]12CCC[C@@H]1C2 927697908 POVPFRMUHAYJSD-APWZRJJASA-N 315.461 3.474 10 10 DGCE COc1cccc([C@@H]2CC(=O)CCN2C(=O)OC(C)(C)C)c1O 1952068057 MKCQKNITGIZTFT-ZDUSSCGKSA-N 321.373 3.042 10 10 DGCE Oc1ccc(-c2ccccc2)cc1CNC[C@]1(O)C[C@H]2C=C[C@H]1C2 850374190 HLFLYAKWRUIKNS-PAXLWEDBSA-N 321.420 3.476 10 10 DGCE Cc1ccc(C2CCN(C(=O)c3cc(O)cs3)CC2)cn1 753467995 QWSQAGOFKKJZPI-UHFFFAOYSA-N 302.399 3.177 10 10 DGCE Cc1cc(O)c([C@H]2CCNCCN2C(=O)OC(C)(C)C)cc1C 1952991113 COMSIBPTJGLANT-OAHLLOKOSA-N 320.433 3.281 10 10 DGCE CCOc1ccc(O)c(CNc2cc(C)cc(OCCO)c2)c1 775032662 JLGHDMOJAQNDPC-UHFFFAOYSA-N 317.385 3.083 10 10 DGCE CO[C@@H](C)[C@H](C)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 786169137 QVHXPKSPUUHHNM-KBPBESRZSA-N 321.421 3.098 10 10 DGCE C[C@H]1[C@H](C)C[C@@H](C)CN1Cc1ccc(N2CCOCC2)cc1 789587535 YOYKHIJIIGMRQA-ZACQAIPSSA-N 302.462 3.390 10 10 DGCE Oc1c(Cl)cccc1CNCC1CCC2(CC1)OCCO2 194998240 IAQJNMWZHMUYMN-UHFFFAOYSA-N 311.809 3.069 10 10 DGCE C/C(=C/C(=O)NCc1c(O)cccc1F)c1cccc(F)c1 1156171239 YOXHRFKJDCYAMG-FLIBITNWSA-N 303.308 3.390 10 10 DGCE O=C(NCc1cccc(Cl)c1O)c1ccc(Cl)c(O)c1 1305085201 SKMIOMSKPPNHEJ-UHFFFAOYSA-N 312.152 3.335 10 10 DGCE C[C@H](C(=O)NCc1ccc2cccnc2c1O)c1cccc(O)c1 1162612648 NUNQWAOESIUGBY-LBPRGKRZSA-N 322.364 3.066 10 10 DGCE COc1ccc(CNCC[C@@H](C)NC(=O)[C@H]2CC2(C)C)cc1C 1320388388 VFRICPZQXZMSJR-GDBMZVCRSA-N 318.461 3.034 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCc2cn(C)cn2)c1 1180440526 SIMCLWBRTPWMJA-UHFFFAOYSA-N 322.412 3.066 10 10 DGCE CN(Cc1ccccc1O)Cc1ncccc1Br 1232165877 PEENYDRBRNBLKQ-UHFFFAOYSA-N 307.191 3.182 10 10 DGCE C[C@@H]1C[C@H](NCc2ccc(N)cc2)CN(C(=O)OC(C)(C)C)C1 1923149293 FMFZLPGAMMXSNX-CJNGLKHVSA-N 319.449 3.004 10 10 DGCE C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1cccc(O)c1O 1631953746 HVAVAACVYXSOIL-QWRGUYRKSA-N 315.344 3.385 10 10 DGCE CCO[C@@]1(C)C[C@H]1NC(=O)c1sccc1-n1c(C)ccc1C 1633295081 HZJMOKCLFNCRLL-PBHICJAKSA-N 318.442 3.453 10 10 DGCE O=C(Nc1cc(F)ccn1)c1cc2cc(O)c(O)cc2s1 1651137496 RGHKJQORXMBYQU-UHFFFAOYSA-N 304.302 3.099 10 10 DGCE CN(Cc1ccccc1O)c1ncc([N+](=O)[O-])c2ccccc12 1650883426 OFYKAHFOAQNEEK-UHFFFAOYSA-N 309.325 3.485 10 10 DGCE CCN[C@H](c1ccccc1O)[C@@H](C)N(C)C(=O)OC(C)(C)C 1928469516 IVIZKJXBJTYOCG-DOMZBBRYSA-N 308.422 3.298 10 10 DGCE O=C(/C=C\c1cccnc1)N1CCCc2cc(F)c(F)c(F)c21 1584512863 TUACTYJYRJVNOS-WAYWQWQTSA-N 318.298 3.492 10 10 DGCE Cc1cc(C=C2SC(=S)NC2=O)ccc1Br 2297756811 VEHAUACVJNUMNZ-UHFFFAOYSA-N 314.229 3.246 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](Nc2ccc(N)cc2)C1(C)C 1959367353 OJJBJNWADUGCDZ-ZIAGYGMSSA-N 305.422 3.373 10 10 DGCE Cc1cc(C)c(/N=N/N2CCN(c3ncccn3)CC2)c(C)c1 1860481525 HBCZWVLHJSSPPT-QZQOTICOSA-N 310.405 3.223 10 10 DGCE Nc1ccc(Oc2ccc(NC(=O)c3ccc(O)nc3)cc2)cc1 1865973565 PHEZLWPXUNFNBI-UHFFFAOYSA-N 321.336 3.414 10 10 DGCE CCCCCOc1ccc(N2CC[C@H](CNC[C@H](C)O)C2)cc1 249859018 VDQOLWAPVGSTGP-DLBZAZTESA-N 320.477 3.052 10 10 DGCE CC[C@@]1(C)CN(C[C@H]2CCCNC2)c2ccc(OC)cc2N1 251500589 DSQWUCJSKLISNM-KSSFIOAISA-N 303.450 3.095 10 10 DGCE C[C@@H]1CC[C@H]([C@@H](N)c2ccccc2O)CN1C(=O)OC(C)(C)C 1936967495 HXTWXBLBYQAQAU-DVOMOZLQSA-N 320.433 3.428 10 10 DGCE CN[C@H](c1ccccc1O)[C@H](NC(=O)OC(C)(C)C)C1CCC1 1936969343 YAHQGKVIPUIPBV-HZPDHXFCSA-N 320.433 3.346 10 10 DGCE Oc1cc(Br)ccc1CNCCOCCC1CC1 1974179636 ZWBRNWJWJRSOQK-UHFFFAOYSA-N 314.223 3.061 10 10 DGCE CN[C@@H]1CCCc2cc(N(CCO)Cc3ccccc3)ccc21 1986600168 KQZXRHRYVWCFLA-HXUWFJFHSA-N 310.441 3.282 10 10 DGCE Cc1ccc([C@H](C)N[C@@H]2CC[C@@H]2NC(=O)OC(C)(C)C)c(O)c1 1986711698 FYVVKFKEIOIEEF-CFVMTHIKSA-N 320.433 3.407 10 10 DGCE CN[C@H]1CCc2cc(N(CCN(C)C)Cc3ccccc3)ccc21 2012691975 DYBZVLRKKMCLTJ-NRFANRHFSA-N 323.484 3.462 10 10 DGCE Oc1cccc(CNCc2ccsc2C(F)(F)F)c1O 2157653437 RKMJWKJBKOCMND-UHFFFAOYSA-N 303.305 3.468 10 10 DGCE Nc1ccc(C[C@H](O)Cc2ccccc2Br)cc1 702787668 XCCLTPFBRKURNE-AWEZNQCLSA-N 306.203 3.177 10 10 DGCE C[C@H]1CCN(c2ccc([C@@H](C)O)c(Br)c2)CCO1 720412992 HRKFSGYFPYPCOH-WDEREUQCSA-N 314.223 3.118 10 10 DGCE CO[C@H]1CC[C@H]1N(C)c1ccc([C@@H](C)O)c(Br)c1 724151594 SPZLWQAZJPZJBZ-FZQKWOKYSA-N 314.223 3.116 10 10 DGCE COc1ccc(O)c(Cn2nc(C3CCCCC3)cc2N)c1 2070159801 JGFRGMUOTUBJEM-UHFFFAOYSA-N 301.390 3.276 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)c2csc(C(F)F)n2)CC1 2188739322 MHRBKWZKLHYHTI-ZETCQYMHSA-N 301.322 3.386 10 10 DGCE CO[C@H]1CC[C@H](NCc2ccc(Br)cc2O)CC1 2042523612 HINZEOKMJBYQKC-JOCQHMNTSA-N 314.223 3.202 10 10 DGCE C[C@@H](NC(=O)c1cocc1Br)c1ccccc1O 2258098884 RZNYFNDJJMFNDM-MRVPVSSYSA-N 310.147 3.239 10 10 DGCE COc1ccc(N2N=C(C)C(=C(C)Nc3cccnc3)C2=O)cc1 2294474419 SDJOZTCXEBLQGQ-UHFFFAOYSA-N 322.368 3.199 10 10 DGCE CCCN=c1ccc(F)c(NCc2cnc(SC)s2)[nH]1 2284731880 WNOBRIFEYXFKPU-UHFFFAOYSA-N 312.439 3.255 10 10 DGCE Cc1cc(=NCc2ccc(C)c(Br)c2O)cc[nH]1 2327592618 WSLCURYRXMHEKO-UHFFFAOYSA-N 307.191 3.201 10 10 DGCE CC1=NN(c2ccccc2)C(=O)/C1=C/N1CCc2ccccc2C1 102739655 OIENSYMUWRSKOI-XMHGGMMESA-N 317.392 3.351 10 10 DGCE Nc1ccc(CCC(=O)N[C@@H]2CC[C@@H]2OCc2ccccc2)cc1 1950400225 BPLPCYNYGFPWNM-MOPGFXCFSA-N 324.424 3.065 10 10 DGCE CN(C)CN1C(=O)/C(=C/c2cccnc2)c2ccc(Cl)cc21 102727405 OYQBBMHFPNRRIX-OVCLIPMQSA-N 313.788 3.141 10 10 DGCE COc1ccc(N(C)Cc2cc([N+](=O)[O-])ccc2O)cc1F 177069156 PMCBXSUQGPJTOG-UHFFFAOYSA-N 306.293 3.085 10 10 DGCE O=C1/C(=C\c2ccc[nH]2)SC(=S)N1c1cccc(O)c1 27231304 BVEDFZMTHLSHAH-KPKJPENVSA-N 302.380 3.126 10 10 DGCE Nc1ccc(OCCNC(=O)Nc2cccc(Cl)c2)cc1 38079629 UTQDXSDDFOKMBZ-UHFFFAOYSA-N 305.765 3.123 10 10 DGCE O=C(c1cccc(O)c1O)N1CC=C(c2cccs2)CC1 185682663 IOPVFJBDCMQSTL-UHFFFAOYSA-N 301.367 3.089 10 10 DGCE CCc1cnccc1C(=O)NCCCSc1nccs1 137058764 OEVYZTYNZPNXNA-UHFFFAOYSA-N 307.444 3.013 10 10 DGCE COc1ccc(O)c([C@@H](C)N[C@H](c2nc(C)no2)C(C)C)c1 185448763 FSEUYNICLMQATI-BMIGLBTASA-N 305.378 3.140 10 10 DGCE C[C@@H](c1cc(Br)ccc1O)N(C)C1CCOCC1 132321458 YOSXQOLELAOJEW-JTQLQIEISA-N 314.223 3.327 10 10 DGCE CCO[C@H](CNCc1ccc(OC)cc1O)c1ccccc1 194461657 UGDNAZCJICWKGK-GOSISDBHSA-N 301.386 3.268 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)C(=O)Nc1c(F)cccc1F 96785296 QFLKCMKTOCHDBT-SECBINFHSA-N 307.296 3.193 10 10 DGCE CC[C@H](C)NC(=O)N1CCN(c2ccc(OC(C)C)cc2)CC1 240708881 AMBFZEFRPHYTSW-HNNXBMFYSA-N 319.449 3.104 10 10 DGCE Cc1cccc(CN2C[C@H](O)C[C@H]2c2cc(F)ccc2F)c1O 246015749 ZJQSQWJGNPWLRA-PBHICJAKSA-N 319.351 3.287 10 10 DGCE C[C@H](OC(=O)/C=C\c1ccc(N2CCOCC2)cc1)C1CCC1 255631572 PQIPCDSFFZBNDY-XMELGKRDSA-N 315.413 3.268 10 10 DGCE C[C@H](N[C@H](C)Cn1cncn1)c1cc(Cl)c(Cl)cc1O 278741473 NIFMDUILEYPTSA-BDAKNGLRSA-N 315.204 3.030 10 10 DGCE CC[C@@H](NC1CCN(C(=O)C(C)C)CC1)c1ccc(F)cc1O 285721836 QDXMNMCDVYEHSG-MRXNPFEDSA-N 322.424 3.219 10 10 DGCE COc1ccc(N2CC[C@@H](CNC(=O)C(F)=C3CCC3)C2)cc1 819588509 WQJQOMNQQVHIIG-ZDUSSCGKSA-N 318.392 3.045 10 10 DGCE Cc1c(NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)cnn1C 829999500 HNACWTFITPQIFA-UHFFFAOYSA-N 322.412 3.317 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCCN(CC(F)F)CC2)cc1 835053383 LVHAELPGRGVAEU-HYXAFXHYSA-N 323.431 3.039 10 10 DGCE O=C(/C=C\c1cnc2ccccc2n1)N1CCc2ccccc21 912652014 NSLDNOMZDAOIQK-KTKRTIGZSA-N 301.349 3.232 10 10 DGCE CCN(CC)c1ccc(CNC[C@H]2C[C@@H](N(C)C)C2)cc1F 848561773 BSLIQEFDMIAECU-IYBDPMFKSA-N 307.457 3.102 10 10 DGCE CCN(CC)c1ccc(CN2CC[C@@H](C)[C@@H](C(=O)O)C2)cc1F 843039097 ATXYSPZSEVJODN-HIFRSBDPSA-N 322.424 3.215 10 10 DGCE Cc1cc(Cl)cc(CN2CCC([C@H]3CCNC3)CC2)c1O 843127728 SWMCUSVWEYSGNY-AWEZNQCLSA-N 308.853 3.176 10 10 DGCE Cc1cccc(CN2CCC[C@H]2COc2cccnc2C)c1O 841895369 DFHQZMFPODHCFD-KRWDZBQOSA-N 312.413 3.447 10 10 DGCE COc1ccc(N2CCN(C(=O)C[C@H]3CC=CCC3)CC2)cc1 929249046 COYULUROLOYQNI-INIZCTEOSA-N 314.429 3.090 10 10 DGCE COCC[C@@H]1CCC[C@@H]1N[C@H]1CCN(c2ccc(OC)cc2)C1 850487904 JZUGMPUTZZSALQ-BXWFABGCSA-N 318.461 3.069 10 10 DGCE Cc1ccc(CC2CN(C(=O)/C=C\c3ccc(O)c(O)c3)C2)cc1 855864683 SAIWXLNLXCNCBC-CLFYSBASSA-N 323.392 3.121 10 10 DGCE Cc1csc([C@@H](C)NC(=O)N[C@@H](C)c2ccccc2O)n1 868205351 YSWQFBPIBOBTHU-WDEREUQCSA-N 305.403 3.279 10 10 DGCE CN(C)c1ccc(CN2CCCC[C@@H](N3CCCC3)C2)cc1F 769233712 OWSFAKZLJYAJMA-QGZVFWFLSA-N 319.468 3.342 10 10 DGCE Cc1cc(NCc2cccc(Cl)c2O)cc(OCCO)c1 775206472 PHXYYMRIUUAGBD-UHFFFAOYSA-N 307.777 3.337 10 10 DGCE COc1ccc(F)c(NCc2ccc([N+](=O)[O-])c(OC)c2O)c1 774928632 ABZOERKEHBRKHX-UHFFFAOYSA-N 322.292 3.069 10 10 DGCE COC(=O)N1CCC[C@H]([C@H](C)N[C@@H](C)c2ccc(C)cc2O)C1 775579835 PQSUIANVDXXLES-KKUMJFAQSA-N 320.433 3.218 10 10 DGCE COc1cc(O)c(CN[C@@H](C(C)C)C(F)(F)F)cc1OC 787441734 YYGLVEWTHONULL-ZDUSSCGKSA-N 307.312 3.086 10 10 DGCE CC(=O)CC1(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCC1 1138364686 YMTKQSZXTYILFB-CQSZACIVSA-N 302.418 3.079 10 10 DGCE Oc1c(F)cc(F)cc1CN1CCCC[C@@H]1[C@H]1CCC[C@H]1O 894885370 BPDXNFGRTRKGGN-FVQBIDKESA-N 311.372 3.186 10 10 DGCE Cc1cc(C(=O)NC(C)(C)C(F)F)c(C)n1-c1ccccn1 792593551 ACDBBAYTVXVJMZ-UHFFFAOYSA-N 307.344 3.263 10 10 DGCE C[C@@H]1C[C@@H](NCc2cccc(F)c2O)CN1Cc1ccccc1 398031694 NOEVXENWKLXTEP-RHSMWYFYSA-N 314.404 3.284 10 10 DGCE CC(C)N1CCC[C@H](C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 1138363883 ROSNIZHVPDSQCP-WBVHZDCISA-N 317.477 3.050 10 10 DGCE CO[C@H](CCNCc1c(O)ccc(Cl)c1F)C(F)(F)F 790990944 IIIRWAFRLVNEAC-SNVBAGLBSA-N 315.694 3.242 10 10 DGCE Oc1c(Br)cccc1CNC1CC2(CSC2)C1 717896731 DLHWCJYFCAHRDA-UHFFFAOYSA-N 314.248 3.140 10 10 DGCE O=S(=O)(Nc1ccc(O)c(F)c1)c1cc(F)ccc1Cl 97896427 HAEJLEQQZQARCM-UHFFFAOYSA-N 319.716 3.125 10 10 DGCE Nc1ccc(Nc2ccc(F)c(Br)c2F)nc1 691828296 CBLMRZFIDPNDLX-UHFFFAOYSA-N 300.106 3.448 10 10 DGCE Oc1c(Cl)cccc1CN[C@@H]1CCOC[C@@H]1C(F)(F)F 1916571502 KQKOWEYCNYHHRB-GXSJLCMTSA-N 309.715 3.103 10 10 DGCE COc1ccc(N(C)CCc2ccc(C(N)=O)cc2)cc1Cl 1167881827 SFNSGMYBQJNPEQ-UHFFFAOYSA-N 318.804 3.126 10 10 DGCE CN(C)c1ccc(CNC(=O)c2cccc3ccncc23)cc1 1350776619 LKYABDBTCPHZGU-UHFFFAOYSA-N 305.381 3.231 10 10 DGCE C/C(=C/C(=O)N1CCOc2cc(N(C)C)ccc21)c1ccco1 1361101852 DRZBHQVCXAPHMJ-QBFSEMIESA-N 312.369 3.175 10 10 DGCE Cc1cc(C(=O)NCc2cc(Cl)ccc2O)ccc1[N+](=O)[O-] 1452948310 WSDRKIZXZUNZJW-UHFFFAOYSA-N 320.732 3.192 10 10 DGCE CCc1cccc(CNC(=O)c2ccc(N=NC(N)=O)cc2)c1 1452768602 SRLUZPLTUAPOPD-UHFFFAOYSA-N 310.357 3.341 10 10 DGCE C[C@@H](NC(=O)Cc1ccc(O)c(Cl)c1)c1ccccc1O 1557966987 SREZBYGRCKWMEP-SNVBAGLBSA-N 305.761 3.171 10 10 DGCE CCOc1ccc(N2CCN(C[C@@H](OCC)C3CC3)CC2)cc1 1652963905 CSZKCHGOWJTMIY-LJQANCHMSA-N 318.461 3.022 10 10 DGCE Cn1c(COc2ccccc2)nnc1Sc1nccs1 1650848370 YKZHGOVBOGGEKD-UHFFFAOYSA-N 304.400 3.002 10 10 DGCE C[C@@H](CSc1ncc(C(C)(C)C)s1)CS(C)(=O)=O 164018449 CVRDBDUOBLZZGE-VIFPVBQESA-N 307.506 3.213 10 10 DGCE OCC[C@@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1O 159728071 YLAIUUROUUHQMG-LBPRGKRZSA-N 304.217 3.436 10 10 DGCE CC1=NN(Cc2ccc(F)cc2)C(=O)/C1=C/c1cccc(O)c1 1865649966 OCHXEODGTMKRDM-LICLKQGHSA-N 310.328 3.333 10 10 DGCE CCCC1=NN(CCC)C(=O)/C1=C/c1cc(OC)ccc1OC 1865668359 SMUAUWNKMJGERK-NTCAYCPXSA-N 316.401 3.496 10 10 DGCE CCC[C@@H](COC)NCc1cc(Br)ccc1O 233291120 SLPQCHWVOLBEGZ-LBPRGKRZSA-N 302.212 3.059 10 10 DGCE CCN[C@H](c1ccccc1O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 1936970837 PMOVARUPSGZNNR-BBRMVZONSA-N 320.433 3.300 10 10 DGCE CC1(C)CCO[C@@H]1CNCc1c(O)cccc1Br 1966033069 XPVYKDVSLLLMFI-CYBMUJFWSA-N 314.223 3.059 10 10 DGCE C[C@H](N)c1cnc(Sc2cncc(Br)c2)s1 1976509197 NUDNVIISYKGMRJ-LURJTMIESA-N 316.249 3.472 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]2CCN(CCCCN=[N+]=[N-])C[C@H]21 1982246530 WIOVZLGRRBKBLS-UONOGXRCSA-N 323.441 3.408 10 10 DGCE CC(C)(C)OC(=O)N1CCCN(c2ccc(N)cc2)C(C)(C)C1 1990123080 GPGYNGLNDOWVKF-UHFFFAOYSA-N 319.449 3.495 10 10 DGCE C[C@@H](NCc1cc(Br)ccc1O)c1cnsc1 1998192225 ZBBXEISXEJEYLS-MRVPVSSYSA-N 313.220 3.462 10 10 DGCE Oc1c(Br)cccc1CN1C[C@H](F)C[C@@H](F)C1 2011415985 UUJFRWVLXKVWCU-NXEZZACHSA-N 306.150 3.037 10 10 DGCE C[C@H]1[C@@H](C)[C@@H]1S(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1 2033547025 HNLWLHYMFYOXBO-ZVVJDGAVSA-N 310.202 3.095 10 10 DGCE CNCc1ccc(N2C[C@H]3C[C@H]2[C@@H]2C[C@@H]32)cc1Br 2041539236 DNFPLIWITMJLNK-ZRQNBYAXSA-N 307.235 3.013 10 10 DGCE Cc1cc(C)c(S(=O)(=O)Nc2cc(C)c(O)cc2C)s1 312900778 YJTQSQVICORBBU-UHFFFAOYSA-N 311.428 3.488 10 10 DGCE NCc1ccc2c(c1)CCCN2Cc1coc(Br)c1 700884088 VWVQIHYEERIJMK-UHFFFAOYSA-N 321.218 3.454 10 10 DGCE C[C@@H]1O[C@H](C)[C@H](NCc2cc(Br)ccc2O)[C@H]1C 527805146 UIDKIXOQLDXLQB-LFNDISMMSA-N 314.223 3.056 10 10 DGCE Oc1ccc(Br)cc1CN1CC[C@@H](C(F)F)C1 707159949 LIFLQTNMHOLHET-MRVPVSSYSA-N 306.150 3.242 10 10 DGCE Oc1ccc(-n2nc(C3CCC3)cc2Br)cc1O 2069966763 CREGNFLCNGCOMS-UHFFFAOYSA-N 309.163 3.314 10 10 DGCE Cc1cccc(O)c1CN[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1 898100106 IDLJDQZBEZFVTK-HDJSIYSDSA-N 320.433 3.094 10 10 DGCE CN[C@H](C)c1ccc(N(C)[C@@H]2CCOC[C@H]2F)cc1Cl 2186751003 SKBIQCSYCQUSHJ-VCTAVGKDSA-N 300.805 3.184 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)c2nc(Cl)sc2Cl)C1 2078398588 CJIQOKOTPOYURB-RXMQYKEDSA-N 306.178 3.365 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)C1CC(OCc2ccccc2)C1 2210541698 ZJGUIIRDFMHKEQ-QDIHITRGSA-N 314.389 3.329 10 10 DGCE CCCN=c1nc(Sc2nccs2)c2c([nH]1)C[C@H](C)C2 2202132534 KQGHPLAJVWHKOA-SECBINFHSA-N 306.460 3.063 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNc1cnn2c1OCCC2 2237197792 SBOBUZLPKXYQSC-UHFFFAOYSA-N 314.172 3.290 10 10 DGCE CSc1ncc(CN[C@@H]2CCNC3(CCCCC3)C2)s1 2284696318 BIMHPVZYPFHELH-GFCCVEGCSA-N 311.520 3.410 10 10 DGCE CSc1ncc(CNC[C@H](C)[C@@H](N)c2ccccc2)s1 2284729537 QBFVZOGRQBBJNP-SMDDNHRTSA-N 307.488 3.291 10 10 DGCE CCN[C@H](C)c1ccc(N(C)Cc2nncs2)c(Cl)c1 2281377049 PKPXHZMNNAZXPN-SNVBAGLBSA-N 310.854 3.498 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)NCc1ccc(Cl)cc1 2307978856 QFFWLRIBDNKYBP-UHFFFAOYSA-N 303.745 3.081 10 10 DGCE CCOc1ccc(C=C2SC(=S)N(C3CC3)C2=O)cc1 2323854756 XHGZNHSYNWRUBF-UHFFFAOYSA-N 305.424 3.449 10 10 DGCE CN(Cc1cccc(Br)c1O)C[C@H]1C[C@H](F)C1 2307408675 LLZRKZZJZLUBAQ-HOMQSWHASA-N 302.187 3.335 10 10 DGCE CCN(Cc1ccc(C)c(Br)c1O)[C@H](C)COC 2327567612 LAARDJIGISFVPK-LLVKDONJSA-N 316.239 3.320 10 10 DGCE CCCOCCCNCc1ccc(C)c(Br)c1O 2327623848 LPGNUEJMFUOEDN-UHFFFAOYSA-N 316.239 3.369 10 10 DGCE CCN(CC(F)(F)F)c1ccc(CNCCOC)cc1C 62737861 PQYGDQRGOPDRJE-UHFFFAOYSA-N 304.356 3.120 10 10 DGCE CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(F)cc1 100147440 SMWDLGHUNLSHGG-MHWRWJLKSA-N 324.311 3.330 10 10 DGCE COc1cc(O)c(CN2CCC[C@@H](C(F)(F)F)C2)cc1OC 179433415 IXEIWZVULBBZQG-LLVKDONJSA-N 319.323 3.184 10 10 DGCE Cc1cc(/C=C/C(=O)N2CC[C@](C)(O)C2)c(C)n1-c1ccccc1 176066621 QUUSXYPGLVGNKB-XTXLJPNXSA-N 324.424 3.091 10 10 DGCE Oc1ccc(CNc2cc3c(cc2Cl)OCCO3)cc1O 36922431 FOXJSYLTDCIPSR-UHFFFAOYSA-N 307.733 3.135 10 10 DGCE CNCc1ccc(OC)c(C[S@](=O)[C@@H]2CCC[C@@H](C)C2)c1 81996028 AJOYMICYHKPVDF-NZCGUCNHSA-N 309.475 3.242 10 10 DGCE CC[C@@H]1COCCN1c1ccc([C@@H](C)N)c(Br)c1 233916795 NADJOVHPEGIWRY-GHMZBOCLSA-N 313.239 3.084 10 10 DGCE COc1cc(O)c(CN2CCS[C@@H]3CCCC[C@H]32)cc1OC 245537330 IVZFWFNBTRBSSD-CXAGYDPISA-N 323.458 3.269 10 10 DGCE COc1ccc2c(c1)N(C(=O)/C=C\c1cncc(C)c1)C[C@H](C)O2 255233477 LWZDJAGUYKLCML-ZBKLQPJUSA-N 324.380 3.226 10 10 DGCE CN(C(=O)/C=C\c1cccc2cccnc12)c1ncccc1F 254975486 RWHNSGQAWPQOQB-KTKRTIGZSA-N 307.328 3.445 10 10 DGCE CC[C@@H](NC1CCC(NC(C)=O)CC1)c1ccc(N(C)C)cc1 268885142 XMQNRDYCVGXXNZ-FAFZWHIHSA-N 317.477 3.241 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1C[C@@H]1C1CCCC1 649788740 DWWCSNMSDYMBPV-HZPDHXFCSA-N 314.429 3.304 10 10 DGCE CCN1CCc2cc([C@H](N)c3ncc(SC)s3)ccc21 2163140260 HMERKXUYHVEDDA-AWEZNQCLSA-N 305.472 3.296 10 10 DGCE Cc1cc(N(C)C)ccc1CNC[C@@H](O)c1ccc(F)cc1C 819077483 MAGQMDASXPSSHZ-LJQANCHMSA-N 316.420 3.332 10 10 DGCE c1cc(N2CCCCC2)ccc1CN1CC[C@H]2COC[C@H]2C1 827596674 ZHCQBRWTZRXCRJ-ZWKOTPCHSA-N 300.446 3.145 10 10 DGCE C[C@H](N[C@@H]1CCN(C)[C@H]1C)c1ccc(N2CCCCC2)cc1 903303379 QBCJQYWRZVCZQD-TXPKVOOTSA-N 301.478 3.420 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)NCC1(Cc2ccccc2)CC1 588407284 IWLRAHSPLSJTBI-CLFYSBASSA-N 323.392 3.250 10 10 DGCE COc1ccc(N(Cc2nnc(C)n2C2CC2)CC2CC2)cc1 831588396 ZWOKIABEWJZABU-UHFFFAOYSA-N 312.417 3.347 10 10 DGCE COc1ccc(O)c(CNC(=O)N[C@H]2CCCC[C@H]2C(C)C)c1 734071794 YSGNAUWOGNROFW-HOTGVXAUSA-N 320.433 3.415 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCC[C@@H](c3cc[nH]n3)C2)cc1 835026120 QALLTNPEDYRDFJ-MAVJXHJTSA-N 310.445 3.369 10 10 DGCE COc1cnccc1[C@H](C)N[C@@H](C)c1cccc(OC)c1O 846164105 MQAOFTAQKAMFFG-RYUDHWBXSA-N 302.374 3.216 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)/C=C/COc1ccccc1 841120193 DAVOKJNXRWADTN-JXMROGBWSA-N 324.424 3.312 10 10 DGCE CCN(CC)c1ccc(CN2CCC[C@]3(CCNC3)C2)cc1 843123697 NRRQBBDVHAHOKX-LJQANCHMSA-N 301.478 3.108 10 10 DGCE CCc1cccc(CNCCc2cn3c(C)cccc3n2)c1O 848919205 HLHJARAZLGIFSR-UHFFFAOYSA-N 309.413 3.243 10 10 DGCE CN(C)c1cc(F)c(CN[C@H](C2CC2)[C@@H]2CCCCO2)cc1F 858186095 QJBITCUVFHWASS-ZWKOTPCHSA-N 324.415 3.468 10 10 DGCE COc1ccc2c(c1)CN(Cc1cc3c(cc1O)CCC3)CC2 920084221 LYMOYLNIELOEFA-UHFFFAOYSA-N 309.409 3.448 10 10 DGCE COc1ccc(N2CCC(NCC[C@H]3CCCOC3)CC2)cc1 858207318 OVYOKDMHPUMXNN-MRXNPFEDSA-N 318.461 3.070 10 10 DGCE COc1ccccc1[C@H](C)CC(=O)NCc1c(O)cccc1F 928712679 VXQOPMLQJNSPFB-GFCCVEGCSA-N 317.360 3.350 10 10 DGCE COc1ccc(N2CC[C@H](NCc3cc(C)ccc3O)C2)cc1 850346613 HVWWTICBHOFIOZ-INIZCTEOSA-N 312.413 3.078 10 10 DGCE COC[C@@H](CCNCc1cc(-c2ccccc2)ccc1O)OC 850345221 OQBVWPMUFAZVLF-GOSISDBHSA-N 315.413 3.200 10 10 DGCE C[C@@H](NC[C@H]1c2ccccc2CN1C)c1ccc(F)cc1O 866563004 IMNVLWLHCNVZJX-PXAZEXFGSA-N 300.377 3.369 10 10 DGCE COc1nc(C)cc(N2CC=C(c3ccc(Cl)nc3)CC2)n1 760578871 HOPVNFJVINLMPK-UHFFFAOYSA-N 316.792 3.136 10 10 DGCE CC(C)(C)c1cc(O)c(O)c(CN2CCO[C@@H](C3CC3)C2)c1 776767376 GUWGIEMHQNBWGF-MRXNPFEDSA-N 305.418 3.006 10 10 DGCE Cc1cc(Cl)cc(CN2CCC[C@@H]2CN2CCCC2)c1O 775665105 XUENMYJBFBTQPT-MRXNPFEDSA-N 308.853 3.414 10 10 DGCE Cc1cc(Br)c(O)c(CNC[C@@]2(C)CCCO2)c1 781631893 CWWFIGJIBRQYGP-CQSZACIVSA-N 314.223 3.122 10 10 DGCE COc1cc(C)c(CN(C)c2ccc3c(c2)OCO3)c(C)n1 781920483 KPGLSRYCMCSQNV-UHFFFAOYSA-N 300.358 3.072 10 10 DGCE C[C@@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CCS1 897563443 MJEGKQZIKUQXQP-SECBINFHSA-N 323.439 3.280 10 10 DGCE COc1cc(C)cc(CN[C@@H]2[C@H]3Cc4cc(F)ccc4[C@H]32)c1O 895344909 SLCDMMDXUYHRDH-CGTJXYLNSA-N 313.372 3.276 10 10 DGCE COc1cccc2c(C(=O)N(C)Cc3ccccc3O)coc12 1149872225 VAUADXFYZKEYBN-UHFFFAOYSA-N 311.337 3.419 10 10 DGCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H](C)C(F)F)c1 1141979594 UYFAXSDWDBCEQA-LLVKDONJSA-N 320.339 3.290 10 10 DGCE Cc1ccccc1-n1c(C)cc(C(=O)N(C2CC2)C2COC2)c1C 1141369101 CKFKTNQWGKPQRG-UHFFFAOYSA-N 324.424 3.406 10 10 DGCE CC(C)Cc1nc(C(=O)NCc2c(O)cccc2F)cs1 1178412887 JIDNWQVLTGUEQW-UHFFFAOYSA-N 308.378 3.116 10 10 DGCE C[C@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)CC(F)F 1329236344 KJYSBHURQWBSKD-ZDUSSCGKSA-N 323.387 3.153 10 10 DGCE [N-]=[N+]=NC[C@H]1CCN(Cc2nc(Br)cs2)C1 1902657478 XVUGBDLGDSKEBX-SSDOTTSWSA-N 302.201 3.038 10 10 DGCE CCN(CC)c1ccc(CNC(=O)c2cc3cccn3cn2)cc1 1350863559 AKUVABWYSVJLFO-UHFFFAOYSA-N 322.412 3.111 10 10 DGCE C[C@@H](O)c1ccc(N(Cc2ccccc2)[C@H](C)CO)c(F)c1 1914223325 LQCKEYDFZNAMCI-ZIAGYGMSSA-N 303.377 3.266 10 10 DGCE COc1ccc(N(CCc2ccccc2)Cc2ncnn2C)cc1 1459718646 UUCSXQHFGSOTII-UHFFFAOYSA-N 322.412 3.073 10 10 DGCE COc1ccc2c(c1)CCCCN2Cc1nc(CC2CC2)no1 1459779663 PEXHRZARVIOQSJ-UHFFFAOYSA-N 313.401 3.374 10 10 DGCE CCN(CC)c1ccc(CNC(=O)CCNC(C)(C)C)cc1F 1616925093 SHTBOWABQOLGPC-UHFFFAOYSA-N 323.456 3.066 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)NCC[C@@H](O)C(C)C)cc1 1629373089 MGZZDDDSMVAJJG-GOSISDBHSA-N 314.429 3.231 10 10 DGCE O=C(c1cc(-c2cccs2)on1)N1Cc2cccc(O)c2C1 1558036768 ZXSKZMXWGGTSQE-UHFFFAOYSA-N 312.350 3.265 10 10 DGCE CCc1ccc(F)cc1C(=O)NCc1ccc(OC)cc1O 1556354554 NCMCCSMKHVPCAG-UHFFFAOYSA-N 303.333 3.032 10 10 DGCE O=C(C/C=C\c1ccc(F)cc1)NCc1c(O)cccc1F 1635360400 LPOAIGJMPBBUEO-IWQZZHSRSA-N 303.308 3.390 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)[C@H](F)C(F)(F)F 1639387508 MPFIPNKNDCXUQH-LBPRGKRZSA-N 301.239 3.062 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)c1ncc([N+](=O)[O-])s1 1642021290 DGWKODGSQNHNHU-UHFFFAOYSA-N 318.402 3.288 10 10 DGCE COC(=O)c1cnc(Sc2c(F)cccc2[N+](=O)[O-])s1 1642725580 USVWFRHTZITUMB-UHFFFAOYSA-N 314.319 3.128 10 10 DGCE COC(=O)/C=C\c1ccc(N2CC[C@@H]2C(C)(C)C)c([N+](=O)[O-])c1 1652330367 RRLPRQODIZGZKL-DDJMYBDESA-N 318.373 3.406 10 10 DGCE CN[C@H](c1ccccc1O)[C@@H](C)CN(C)C(=O)OC(C)(C)C 1928467669 NFUKISPFFWBGOW-WFASDCNBSA-N 308.422 3.156 10 10 DGCE CC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](NC)c1ccccc1O 1928476610 LELXXNQLLXQIQR-SWLSCSKDSA-N 308.422 3.204 10 10 DGCE CN(c1ccc(N)cc1)C1(CNC(=O)OC(C)(C)C)CCC1 1959563966 CZXRZNOVDGDNFX-UHFFFAOYSA-N 305.422 3.152 10 10 DGCE c1cc(N2CCCC2)ccc1CNC1CCC2(CC1)COC2 1119289058 DQNRIGJBCHAEPU-UHFFFAOYSA-N 300.446 3.336 10 10 DGCE Oc1cccc(Cl)c1CNCC1(O)CCC(F)(F)CC1 850405503 RIZAONFOEKBPLA-UHFFFAOYSA-N 305.752 3.076 10 10 DGCE C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(CCCN=[N+]=[N-])C1 1962304125 LQYXYWMDZIUJCA-STQMWFEESA-N 311.430 3.312 10 10 DGCE CC(C)(C)OC(=O)N1CCC2(CC(Nc3ccc(N)cc3)C2)C1 1977663392 XQHFBLLUJZBWQT-UHFFFAOYSA-N 317.433 3.470 10 10 DGCE CCN(CC)c1ccc([C@@H](O)[C@H](C)NC(=O)OC(C)(C)C)cc1 1977935429 PFHANKZQTFDIKC-BBRMVZONSA-N 322.449 3.479 10 10 DGCE C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(c2ccc(N)cc2)C1 1977969434 APBDNWGHNZBJCF-BBRMVZONSA-N 319.449 3.398 10 10 DGCE CC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)c1ccc2c(c1)CCN2C 1977939515 QLUZIHXAWINYHQ-HOCLYGCPSA-N 320.433 3.016 10 10 DGCE Oc1cc(Cl)ccc1CNCC1(Br)CCC1 1980137593 JPHBGXYVCJQRQM-UHFFFAOYSA-N 304.615 3.453 10 10 DGCE Oc1cccc(CNCc2cscc2C(F)(F)F)c1O 2151831621 WBQUPQLHJNFQAX-UHFFFAOYSA-N 303.305 3.468 10 10 DGCE C[C@H]1CN(c2ccc([C@H](C)N)c(Br)c2)[C@H](C)CO1 300521497 XIOLPUGYDAZPHK-VWYCJHECSA-N 313.239 3.082 10 10 DGCE C[C@@H]1COC[C@H]1N(C)[C@H](C)c1cc(Br)ccc1O 688180510 VESBBBJLZROKRT-GIPNMCIBSA-N 314.223 3.182 10 10 DGCE C[C@@H](CNC(=O)OC(C)(C)C)NCc1ccc(Cl)cc1O 1308684128 CMXPOQZOOJUGPX-JTQLQIEISA-N 314.813 3.048 10 10 DGCE CO[C@H](C)CCN(C)c1ccc([C@@H](C)N)c(Br)c1 2059359943 QWLJTRCTKUTXBZ-GHMZBOCLSA-N 315.255 3.330 10 10 DGCE Oc1cccc2c1[C@@H](NC[C@]1(Br)CC1(F)F)CC2 2082494618 RUPYAAUYKXSTHI-JOYOIKCWSA-N 318.161 3.142 10 10 DGCE O=C(O)C=Cc1ccc(N2C[C@H]3C=C[C@H]2C3)c(Br)c1 2089869852 IGQJARPJSUPHCW-RYUDHWBXSA-N 320.186 3.312 10 10 DGCE COc1ccc(N(Cc2ccccc2)[C@@H](C)CCO)c(C=O)c1 2211291500 CRYVDNQCVPRNRE-HNNXBMFYSA-N 313.397 3.285 10 10 DGCE C[C@@H](Nc1cn(C)nc1Br)c1ccc(N(C)C)cc1 2230764844 UUNJGTMIPKDKQS-SNVBAGLBSA-N 323.238 3.422 10 10 DGCE Cc1ccc(OC(F)F)c(C=C2SC(=S)NC2=O)c1 2298429985 RRXFEGMOYAYELL-UHFFFAOYSA-N 301.339 3.085 10 10 DGCE Cc1ncc(Br)cc1OCCOc1ccc(N)cc1 2265217911 FIVNAOARCZLVBS-UHFFFAOYSA-N 323.190 3.193 10 10 DGCE CSc1ncc(CNC[C@@H](CN)CC2CCCCC2)s1 2284720963 JTUOOSKMBJYWMT-CYBMUJFWSA-N 313.536 3.500 10 10 DGCE Cc1ccc2c(c1)C(C)(C)[C@@]1(C=Cc3cccnc3)NC(=O)CN21 2297451021 NTNSIQPVVGVBPT-FQEVSTJZSA-N 319.408 3.027 10 10 DGCE O=C1C(=Cc2ccccc2F)SC(=S)N1Cc1ccon1 2300341938 PBDNWTMUIZDKAH-UHFFFAOYSA-N 320.370 3.215 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)C=Cc2ccc(C)o2)c1 2301402216 SSQUTYPSFMOISP-LBPRGKRZSA-N 301.342 3.193 10 10 DGCE Cc1cncc(C=CC(=O)N2CCN(C)c3ccc(F)cc32)c1 2302388959 HRECHVNSCKSDQE-UHFFFAOYSA-N 311.360 3.025 10 10 DGCE CCOC(=O)[C@@H]1CCCN(N=Nc2ccccc2OCC)C1 2330193285 UFKFEQKIBXTWGF-CYBMUJFWSA-N 305.378 3.359 10 10 DGCE COC(=O)C1CCN(N=Nc2ccccc2OC(C)C)CC1 2330221336 AFYNUBHLNBSUPP-UHFFFAOYSA-N 305.378 3.358 10 10 DGCE CCCCN(CCO)Cc1ccc(C)c(Br)c1O 2327627603 CGXUUIAPMVPXHV-UHFFFAOYSA-N 316.239 3.058 10 10 DGCE C[C@@H](NC[C@@H](c1cccs1)N(C)C)c1ccc(O)cc1O 21511939 DBXUZFKMGYBRDE-RISCZKNCSA-N 306.431 3.113 10 10 DGCE CCc1nnsc1CN(C)c1ccc([C@H](C)N)c(Cl)c1 2360899310 VRRXRNUXXKFAGY-VIFPVBQESA-N 310.854 3.410 10 10 DGCE CC[C@H](NC[C@H](O)c1ccccc1OC)c1ccccc1O 186122852 UCRLXNSAVQWMSJ-RDJZCZTQSA-N 301.386 3.175 10 10 DGCE C[C@@H](NS(=O)(=O)Cc1ccc(N)cc1)c1cccc(Cl)c1 40323783 SVVPHPYXMCQSNV-LLVKDONJSA-N 324.833 3.103 10 10 DGCE CCOc1ccc(NCc2cc(Cl)cc(OC)c2O)cn1 228676613 CRCZRVFSVHFLCE-UHFFFAOYSA-N 308.765 3.460 10 10 DGCE COc1cccc(CNC(=O)C(C)(C)c2ccccc2F)c1O 131290349 MCEOKEYMCOVLQX-UHFFFAOYSA-N 317.360 3.134 10 10 DGCE CN(C)c1ccc(-c2nc3c(s2)CCC[C@@H]3C(=O)O)cc1 136516074 HKZQKKHGEQDGOJ-LBPRGKRZSA-N 302.399 3.381 10 10 DGCE C[C@H]1CN(C(=O)c2cccc(O)c2O)c2cccc(Cl)c2O1 194979678 DSAFEFCTEKYEOW-VIFPVBQESA-N 319.744 3.179 10 10 DGCE CCOc1ccc(/C=C/C(=O)N(C)Cc2ccccc2O)cc1 136940706 OMUMVLJDGSEFQF-JLHYYAGUSA-N 311.381 3.463 10 10 DGCE Cc1ccc([C@@H](C)N(C)C(=O)COc2ccc(N)cc2)s1 40330805 HQYXXTONXXOASL-GFCCVEGCSA-N 304.415 3.237 10 10 DGCE COC(=O)[C@@H](NCCN=[N+]=[N-])c1ccc(Cl)c(Cl)c1 90256964 PRMNTNAUAAQNJI-JTQLQIEISA-N 303.149 3.107 10 10 DGCE Nc1ccc(CS(=O)(=O)Nc2ccc(Cl)c(F)c2)cc1 49118102 LBXXLJKIVHOZRY-UHFFFAOYSA-N 314.769 3.003 10 10 DGCE CC(C)Oc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 242560304 CEFRROMPLGMAAH-UHFFFAOYSA-N 301.342 3.066 10 10 DGCE CC/C=C\COC(=O)/C=C\c1ccc(N2CCOCC2)cc1 255438661 DJFOWUOZZDSWGL-ZJSQCTGTSA-N 301.386 3.046 10 10 DGCE COc1ncc(NCc2ccc(N)cc2)cc1Br 2224025783 QINIZRCIYRZILF-UHFFFAOYSA-N 308.179 3.047 10 10 DGCE COc1ccc2c(c1)CCCCN2C[C@H](O)CC(F)(F)F 276218246 LUYZZSLPUGIVDX-GFCCVEGCSA-N 303.324 3.151 10 10 DGCE C[C@]12C[C@@H]1CCC[C@@H]2NCc1ccc(N2CCOCC2)cc1 282371641 WNMYFBWXFAWFOZ-WDSOQIARSA-N 300.446 3.192 10 10 DGCE COc1cc(NCc2c(O)cccc2OC)c(C)c(OC)c1 800530745 PFWPAHPTYFAZQH-UHFFFAOYSA-N 303.358 3.339 10 10 DGCE COc1cc(CN2CC([C@@H]3CCOC3)C2)c(O)c(C(C)(C)C)c1 825737653 CKWGKGARSJXQOB-CYBMUJFWSA-N 319.445 3.167 10 10 DGCE Cc1cc(O)c(CN2CCCC[C@@H]2C2OCCO2)c(Cl)c1 840916459 VENHPVHARXQIOT-CQSZACIVSA-N 311.809 3.081 10 10 DGCE Nc1ccc(NC(=O)N(C[C@@H]2CCCO2)C2CCCC2)cc1 841298721 CUOBXVULXYEOBQ-INIZCTEOSA-N 303.406 3.224 10 10 DGCE CN(C)c1ccc(/C=C\CN2CC(=O)Nc3ccccc3C2)cc1 848925262 APFHSMQSLSIFCK-WAYWQWQTSA-N 321.424 3.220 10 10 DGCE CC1(CC(F)F)CN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)C1 843424577 CTISNFSWEQVFDQ-UHFFFAOYSA-N 320.723 3.431 10 10 DGCE COc1cccc([C@H](C)N[C@@H](c2ccccc2F)[C@H](C)O)c1O 846183452 OKNBCNHSEDDZEW-NVGCLXPQSA-N 319.376 3.313 10 10 DGCE Cc1cc(O)c(CN2CC[C@H](Cc3cnn(C)c3)C2)c(Cl)c1 840923792 VSJQMEBVEUDVEL-CYBMUJFWSA-N 319.836 3.152 10 10 DGCE CC(C)[C@@H]1COCC[C@H]1NCCCSc1nccs1 925101490 IGJYQFABIXKLKF-QWHCGFSZSA-N 300.493 3.276 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)NCC[C@H]2CCCS2)c1 868977315 ORPBVRSUZWNUHV-WCQYABFASA-N 324.446 3.047 10 10 DGCE CC(C)[C@@H]1C[C@H](CNC(=O)N[C@H](C)c2ccccc2O)CCO1 868671720 CMIOCPSQIUXEAU-CPUCHLNUSA-N 320.433 3.204 10 10 DGCE CC(C)(C(=O)NCc1cc(Cl)ccc1O)[C@H]1CCCCO1 869147464 RTHNPCUOXCUMRT-CQSZACIVSA-N 311.809 3.257 10 10 DGCE COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1Cc1ccc(N)cc1 1352788085 BHOXWPDZDDEWBS-ROUUACIJSA-N 310.397 3.148 10 10 DGCE O=C([C@@H]1CCCCN1C1CCCC1)N1Cc2cccc(O)c2C1 871204420 IQAYDOFDMMIZPY-KRWDZBQOSA-N 314.429 3.032 10 10 DGCE C[C@H]1C[C@H](N(C)Cc2cc(Cl)cc(F)c2O)CCN1C 775717192 NOHBLMFXBGAEGZ-GXFFZTMASA-N 300.805 3.099 10 10 DGCE Cn1nc(CNc2ccc(N)cc2)c(Br)c1Cl 1947526039 LGJOEPGJKGCZAN-UHFFFAOYSA-N 315.602 3.030 10 10 DGCE Cc1cccnc1/C=C\C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 775404307 MOAMTPVXLRVSOA-SSCKCOOKSA-N 309.413 3.347 10 10 DGCE COc1cccc([C@H](C)OC(=O)c2ccc(C)c(O)c2O)c1 783345497 SXTZDZFUXUWREH-NSHDSACASA-N 302.326 3.333 10 10 DGCE C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc2c(c1)CCC2 1137977465 CKNSOZONNJPCEA-GFCCVEGCSA-N 311.381 3.006 10 10 DGCE C[C@H](N)c1ccc(N2CC(OCC(F)(F)F)C2)cc1Cl 707639809 GQDHAGKRPGACHC-QMMMGPOBSA-N 308.731 3.127 10 10 DGCE CC[C@@]1(C(=O)O)CCN(Cc2cc(Cl)cc(Cl)c2O)C1 86781222 VYGJVCGLHBPQKI-CQSZACIVSA-N 318.200 3.386 10 10 DGCE Cc1ccc([C@H](C)CNC(=O)c2c(F)ccc(O)c2O)cc1 1306607585 BADIWTCBAYBOAE-LLVKDONJSA-N 303.333 3.079 10 10 DGCE CCOC(=O)CN(Cc1ccc(N2CCCC2)cc1)C1CCC1 1320287846 GTWDZXKSENXPGC-UHFFFAOYSA-N 316.445 3.204 10 10 DGCE Cc1cc(CN2CCN(c3ccncc3)C[C@@H]2C)ccc1N(C)C 1176280716 DXBONMRPYODMPN-KRWDZBQOSA-N 324.472 3.167 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)c2cnccc2Br)CC1 2121184002 OVYPUSSXOICGFF-SECBINFHSA-N 324.182 3.149 10 10 DGCE CC1CCN(c2ccc(CN[C@H]3C[C@H]4CC[C@H]3O4)cc2)CC1 1262198167 HFJVLKCVUQQPBB-CEXWTWQISA-N 300.446 3.332 10 10 DGCE CN(CCCN=[N+]=[N-])C(=O)CSc1ccc(F)cc1F 1912179909 YSZXQIPAFDINCD-UHFFFAOYSA-N 300.334 3.216 10 10 DGCE Cc1ccnc(CN2CCC[C@H](N=[N+]=[N-])C2)c1Br 1912170160 TUPAOSOZCVABKA-JTQLQIEISA-N 310.199 3.427 10 10 DGCE CC1(C)CC[C@H](CC(=O)Nc2c(Cl)ccc3nonc23)OC1 1459789343 QYGCDMUEFAOQOA-SECBINFHSA-N 323.780 3.410 10 10 DGCE C[C@H](NC(=O)Cc1nc(C2CC2)cs1)c1ccccc1O 1454815994 IOEVJLRXNUSYAR-JTQLQIEISA-N 302.399 3.146 10 10 DGCE CSc1cnc(CNCc2cnc(SC)s2)s1 2248707492 HPYWFNLKMOPPGY-UHFFFAOYSA-N 303.503 3.333 10 10 DGCE CCn1cc(Cl)cc1C(=O)N[C@H](C)c1cc(OC)ccc1O 1545684138 LMBBEBYVCBHEGX-SNVBAGLBSA-N 322.792 3.367 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)Nc2cc3c(cn2)CCCC3)cc1 1625041396 OQKVDDVHOHDVII-UHFFFAOYSA-N 323.356 3.375 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc2c1CCC2 1623574013 JLIGTSHYAKOFBE-UHFFFAOYSA-N 316.397 3.297 10 10 DGCE O=C(NCc1csc2ccccc12)c1c(F)ccc(O)c1O 1638163526 XZFOWNSMGVEVKY-UHFFFAOYSA-N 317.341 3.382 10 10 DGCE Cc1cc(C(=O)NCc2c(O)cccc2F)c(C)n1CC1CC1 1638863687 QALPGNWCYPGGDI-UHFFFAOYSA-N 316.376 3.290 10 10 DGCE C/C(=C\c1ccccc1Cl)C(=O)NCc1cccc(O)c1O 1644710847 LHGFJGIOVFWIDS-PKNBQFBNSA-N 317.772 3.471 10 10 DGCE CC(C)(C)OC(=O)NCC1([C@H](N)c2ccccc2O)CCC1 1928481085 QXZUVBXZOBSKBQ-CQSZACIVSA-N 306.406 3.087 10 10 DGCE O=C(O)C[C@H](NCc1c(O)cccc1Cl)c1cccs1 127286253 BBCRAHRDFLDHIV-NSHDSACASA-N 311.790 3.413 10 10 DGCE CC[C@@H]1CCN(CCN=[N+]=[N-])[C@@H](CNC(=O)OC(C)(C)C)C1 1962287633 LHHXKBQKHKKMFA-CHWSQXEVSA-N 311.430 3.312 10 10 DGCE C[C@H]1CN2CCC[C@@H]2CN1Cc1cc(Cl)cc(Cl)c1O 156074658 JETXGHBMIWWGAU-GXFFZTMASA-N 315.244 3.368 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@](N)(c2ccccc2O)C12CC2 1988892909 JFTZRGCCWHDQTO-GOSISDBHSA-N 318.417 3.110 10 10 DGCE C[C@@H](N)c1ccc(N2CCOC[C@@H]2C(F)(F)F)cc1Cl 2150369121 DNIPXLZXEPUNCX-PRHODGIISA-N 308.731 3.127 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccccc2N)[C@@H]1C1CC1 1991052572 IPJBWCJFTMSSBQ-HOTGVXAUSA-N 317.433 3.469 10 10 DGCE Oc1ccc(Br)cc1CNC[C@H]1C[C@@H]1C(F)F 1997383468 NZEFBWLLLZNQHS-XCBNKYQSSA-N 306.150 3.146 10 10 DGCE CN(c1ccc(CO)cc1Br)[C@@H]1CCC[C@@H]1F 2006782873 YYWRYTAXWBHUDX-WCQYABFASA-N 302.187 3.268 10 10 DGCE CCN(C(=O)C=Cc1cnn(-c2ccccc2)n1)c1ccccc1 2040817548 MMLLQFHJKVIHOI-UHFFFAOYSA-N 318.380 3.334 10 10 DGCE COc1ccc([C@H](N)c2ccccc2O)c(Br)c1 2037204713 DYUMKMXNZYCAQC-AWEZNQCLSA-N 308.175 3.211 10 10 DGCE C[C@@H]1C[C@H](NCc2ccccc2O)CN(C(=O)OC(C)(C)C)C1 401671433 LOQKQCSSQVFEDY-HIFRSBDPSA-N 320.433 3.127 10 10 DGCE CC(C)[C@H]1C[C@@H](NCc2cc(Br)ccc2O)CO1 691487934 MMBZEMVPUBYPSA-TZMCWYRMSA-N 314.223 3.058 10 10 DGCE C[C@]1(CNCc2cc(Br)cc(F)c2O)CC1(F)F 715823838 ABOFDBWBUSXFPV-LLVKDONJSA-N 324.140 3.429 10 10 DGCE CC(C)N[C@@]1(C(=O)O)C[C@H](C)C[C@H](Sc2nccs2)C1 2175482201 CQXYNNPFGHPNIS-SUNKGSAMSA-N 314.476 3.245 10 10 DGCE C[C@@H](c1c(O)cccc1F)n1nc(C2CCCC2)cc1CN 2070133480 CWNQCJGFEVTHKF-NSHDSACASA-N 303.381 3.453 10 10 DGCE CN(C[C@@H]1CCCCCO1)c1cc(Cl)c(CN)cc1F 2177376338 DHBIIGSOIWOHKO-LBPRGKRZSA-N 300.805 3.333 10 10 DGCE C[C@H](O)c1ccc(N(CCO)Cc2cccs2)cc1Cl 2171092124 JRLHNSBOVFKXOX-NSHDSACASA-N 311.834 3.454 10 10 DGCE C[C@H](N(C)c1ccc(CO)cc1F)C(F)(F)C(F)(F)F 2182450061 IACPKJXVSIACBU-ZETCQYMHSA-N 301.230 3.340 10 10 DGCE CO[C@@H](CN(C)Cc1c(O)cccc1Br)C(C)C 2068249354 MWNLNJSRKJNSQE-AWEZNQCLSA-N 316.239 3.258 10 10 DGCE C[C@@H]1C[C@@H]2CN(c3cc(Br)c(CN)cc3F)C[C@@H]21 2085513784 OIRRKXFKEGHTKA-FBIMIBRVSA-N 313.214 3.139 10 10 DGCE [N-]=[N+]=NCC1CCN(Cc2cccnc2Br)CC1 2085939490 WOWQZBXMDHGXTO-UHFFFAOYSA-N 310.199 3.366 10 10 DGCE [N-]=[N+]=NCCCN1CCN(c2ccc(Br)cc2)CC1 2227668429 PDMURKCJBRVCEL-UHFFFAOYSA-N 324.226 3.272 10 10 DGCE OCc1ccc(N2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2)cc1Br 2228690395 QHIQOGFSSPKZCC-AGCIHXOGSA-N 320.230 3.200 10 10 DGCE CC1=NN(c2cccc(C(=O)O)c2)C(=O)C1=Cc1ccc(F)cc1 2295170762 UJEJOGQEJNWSMA-UHFFFAOYSA-N 324.311 3.330 10 10 DGCE CCc1nsc(CN(C)c2ccc([C@H](C)O)cc2Cl)n1 2288826155 MRLFFLUMLWIWSH-VIFPVBQESA-N 311.838 3.444 10 10 DGCE COc1cc(C=C2SC(=S)N(CC(C)C)C2=O)ccc1O 2296699055 ANTSEQWNMRNVBS-UHFFFAOYSA-N 323.439 3.258 10 10 DGCE CCCN(CCC)NCc1c(O)cccc1Br 2302474180 XAZFBGZEMWKFBE-UHFFFAOYSA-N 301.228 3.281 10 10 DGCE C[C@H](N[C@H](CN(C)C)c1ccccc1)c1cc(F)ccc1O 176981368 NJTVFJJHXQXRBT-SUMWQHHRSA-N 302.393 3.485 10 10 DGCE CC(C)C(=O)Nc1ccc(NC(=O)Cc2ccc(N)cc2)cc1 66153926 NAVHFFLOEZEURV-UHFFFAOYSA-N 311.385 3.045 10 10 DGCE CCN(CC)c1ccc(CNC(=O)NCCCCSC)cc1 77348367 BRALPKOZGCKGTD-UHFFFAOYSA-N 323.506 3.475 10 10 DGCE COc1ccc(O)c(CN[C@@H](C)c2ccc(F)c(F)c2O)c1 187784062 MGRFMRLUOLBVRT-VIFPVBQESA-N 309.312 3.235 10 10 DGCE CCN[C@H](C)c1ccc(N(C)Cc2cnn(C)c2)cc1Cl 78905540 LVELIWXHPMOJTP-GFCCVEGCSA-N 306.841 3.380 10 10 DGCE Cc1ccc(O)c([C@@H](C)N[C@@H](C)Cc2c(C)nn(C)c2C)c1 185559001 HXIITBYNPZESHZ-QWHCGFSZSA-N 301.434 3.333 10 10 DGCE Oc1c(Cl)cccc1CNCc1ccn(C(F)(F)F)n1 2366007956 IDOVIXAMLRFMNP-UHFFFAOYSA-N 305.687 3.008 10 10 DGCE CCCOc1ccc(CN[C@H](C)C[C@@H](O)c2ccco2)c(O)c1 130400125 VHTLQNQVGWINCS-CXAGYDPISA-N 319.401 3.376 10 10 DGCE Cc1cccc(CNC[C@@H](C)CN(C)C(=O)OC(C)(C)C)c1O 224829166 DAHYGEPIHHMCKF-CYBMUJFWSA-N 322.449 3.293 10 10 DGCE CCOC(=O)c1ccc(O)c([C@H](C)NC(=O)OC(C)(C)C)c1 261242529 WLGAFGXTSGTKTQ-JTQLQIEISA-N 309.362 3.155 10 10 DGCE CC[C@H](C)CC(=O)NCc1cc(Br)ccc1O 804738320 LVKIREZOMCFKRF-VIFPVBQESA-N 300.196 3.207 10 10 DGCE COc1ccc(CN[C@H]2CCN(C(=O)CCC(C)C)C2)cc1C 1265418315 CTPSUJZNXOCSGW-KRWDZBQOSA-N 318.461 3.130 10 10 DGCE COCC[C@H](COC)N[C@H](C)c1ccc(Cl)c(Cl)c1O 810256875 IDXONKDRVZBQQP-NXEZZACHSA-N 322.232 3.401 10 10 DGCE CC(C)(C)OC(=O)c1ccc(NCc2ccccc2O)nc1 825668695 VWQHSFZTVGVZKS-UHFFFAOYSA-N 300.358 3.355 10 10 DGCE C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(F)c(F)c1 588403870 YOZXQVPICFYMKZ-WXGCRTCVSA-N 319.307 3.267 10 10 DGCE CCOc1ccc(O)c(CN2C[C@H](O)C[C@H]2c2ccccc2)c1 840956126 DDPXPRVMJYXPHP-AEFFLSMTSA-N 313.397 3.099 10 10 DGCE Cc1ccc(C(=O)N2CC3(CC=CC3)[C@@H]2C(C)C)c(O)c1O 844096608 OWTWOHYLCLOYNM-INIZCTEOSA-N 301.386 3.223 10 10 DGCE CC[C@H](NC[C@@](C)(CO)OC)c1cc(Cl)cc(Cl)c1O 848556399 WRULUBMYRATZON-JSGCOSHPSA-N 322.232 3.137 10 10 DGCE COC[C@H](N[C@H]1C[C@H](C)c2c(F)ccc(O)c21)C1CCOCC1 850493421 HLZZILOLODHXAZ-CQDKDKBSSA-N 323.408 3.111 10 10 DGCE COc1ccc(N2CC[C@@H](Nc3ccnc(C4CC4)n3)C2)cc1 853759231 PTURZRAVUFBUNH-CQSZACIVSA-N 310.401 3.053 10 10 DGCE Cc1ccn2cc(CN[C@@H](C)c3cc(F)cc(F)c3O)nc2c1 756533443 HQJWTJKPMGHDDF-NSHDSACASA-N 317.339 3.477 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)[C@@H](C)n1nc(C)cc1C 761749510 FOXKESMPYQJFAQ-OAHLLOKOSA-N 315.417 3.205 10 10 DGCE Cc1cc(C(=O)NCC2COC2)c(C)n1-c1ccc(Cl)cc1 863352582 HGISAMJSQFSEOJ-UHFFFAOYSA-N 318.804 3.124 10 10 DGCE C[C@H](CC(F)(F)F)C(=O)NCc1ccc2cccnc2c1O 862024869 ITQRAASHMROZDC-SECBINFHSA-N 312.291 3.145 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2[C@@H](C)C[C@@H]2C)cc1 861438810 OWOOKFMETCNJMC-KBPBESRZSA-N 324.424 3.458 10 10 DGCE Cc1sc(CC(=O)N2Cc3cccc(O)c3C2)nc1C(C)C 871203745 FQWGMPJHEQQFIU-UHFFFAOYSA-N 316.426 3.365 10 10 DGCE Cc1ccc(-c2cc(C(=O)NCc3ccccc3O)n[nH]2)c(C)c1 779000762 DQNCBEAJZSSUED-UHFFFAOYSA-N 321.380 3.329 10 10 DGCE CC[C@H](C)n1nccc1C(=O)NCc1cccc(Cl)c1O 1124070996 VBHQVLBKIOTMLL-JTQLQIEISA-N 307.781 3.143 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)c2cc[nH]c2C2CC2)c1 786410253 SFBXWSMFJXAJPY-JTQLQIEISA-N 300.358 3.097 10 10 DGCE COc1ccc2c(c1)CCCN2Cc1cn2cccc(F)c2n1 780766842 NIWBWLGGVNINMJ-UHFFFAOYSA-N 311.360 3.435 10 10 DGCE Cc1noc2ncc(CNCc3ccc4c(c3)CCCN4C)cc12 894209212 QVVZMPODXOGPQZ-UHFFFAOYSA-N 322.412 3.203 10 10 DGCE Cc1cnc(CC(=O)NCc2c(O)ccc3ccccc23)s1 1179033362 VZAVFPLUKZAEHJ-UHFFFAOYSA-N 312.394 3.169 10 10 DGCE CN(C[C@@H]1CN(CCCN=[N+]=[N-])CC12CC2)C(=O)OC(C)(C)C 1901782234 QMVVROLDTKQBHI-CYBMUJFWSA-N 323.441 3.266 10 10 DGCE CN(CCCN=[N+]=[N-])C(=O)c1ccsc1Br 1912202464 HWACMHGTHWPGQL-UHFFFAOYSA-N 303.185 3.283 10 10 DGCE C[C@@]1(C(F)F)CN(Cc2ccc3ccccc3c2O)CCO1 1350736001 STBACNKAHYLZFB-KRWDZBQOSA-N 307.340 3.401 10 10 DGCE O=Cc1cc(C(=O)NCCCSc2nccs2)ccc1F 1443487669 IFDZJLWDFHVNOK-UHFFFAOYSA-N 324.402 3.007 10 10 DGCE CC[C@@H](O)CN(Cc1ccccc1)c1c(F)cc(CO)cc1F 1915098677 KIKFTDTYJYWELR-OAHLLOKOSA-N 321.367 3.235 10 10 DGCE OCc1ccc(N2CC[C@@H]2C(F)(F)F)c(Br)c1 1916188215 HFWHYYLWSCEXPO-SNVBAGLBSA-N 310.113 3.082 10 10 DGCE Cc1nccnc1NC(=O)c1ccc(-n2c(C)ccc2C)cc1 1617782352 NHPLHLUAWLHDNT-UHFFFAOYSA-N 306.369 3.445 10 10 DGCE Cc1ccc(C(=O)N[C@H]2c3ccccc3CC[C@H]2C)c(O)c1O 1546172271 RSZCGXLCHDDPAM-BDJLRTHQSA-N 311.381 3.460 10 10 DGCE Oc1cccc2c1[C@H](NCc1ncccc1Br)CC2 1927115839 ZZHMRVIERQVKPN-GFCCVEGCSA-N 319.202 3.327 10 10 DGCE CC(C)Cc1ccccc1CNC(=O)c1c(F)ccc(O)c1O 1641771528 VKNQRQJVMCTKGP-UHFFFAOYSA-N 317.360 3.365 10 10 DGCE C[C@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)CCN1c1ccc(N)cc1 1978641733 HJVYVPKDUOKRRH-UONOGXRCSA-N 319.449 3.493 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CN(CCN=[N+]=[N-])Cc2ccccc21 1982248086 PNNJIHIHPUEQEL-AWEZNQCLSA-N 317.393 3.378 10 10 DGCE CCN[C@H](C)c1ccc(N2C[C@H](OC)[C@H](F)C2)cc1Cl 2146468669 BKQAYRFHMKJCHV-KMUNFCNLSA-N 300.805 3.184 10 10 DGCE Oc1c(Br)cccc1CNC[C@@H]1C[C@@H]1C(F)F 1997383364 MXMWSNSPHPWLRQ-IUCAKERBSA-N 306.150 3.146 10 10 DGCE Cn1nc(CNCc2ccc(F)c(F)c2O)c(Cl)c1Cl 2150747150 JVVDXUXFRQXHOZ-UHFFFAOYSA-N 322.142 3.001 10 10 DGCE Nc1ccc(CNC[C@@]23CC[C@@H]2CN(Cc2ccccc2)C3)cc1 2023083610 UPDFSKFHCRCPSJ-TZIWHRDSSA-N 321.468 3.271 10 10 DGCE C[C@H](NC[C@@]1(Br)CC1(F)F)c1ccccc1O 2023779889 QUSQOXVAVVGEHX-KWQFWETISA-N 306.150 3.216 10 10 DGCE CCCN(CCOC)c1ccc([C@H](C)O)c(Br)c1 2036709888 YYSGHSLYGHSTOX-NSHDSACASA-N 316.239 3.365 10 10 DGCE CN(Cc1ccns1)c1ccc(CN)c(Br)c1 404463725 JMJRYPRDYDUVFD-UHFFFAOYSA-N 312.236 3.001 10 10 DGCE [N-]=[N+]=NCCCNC(=O)Cc1csc(-c2ccsc2)n1 701320218 YPEAHNRLAZONEV-UHFFFAOYSA-N 307.404 3.231 10 10 DGCE CCCn1ccnc1CNCc1c(O)cccc1Br 706845012 XEURKZZEYWXYIQ-UHFFFAOYSA-N 324.222 3.051 10 10 DGCE C[C@@H]1C[C@H](N(C)Cc2cccc(Br)c2O)CCO1 721471556 DEBYWMPQUWQYDI-ZYHUDNBSSA-N 314.223 3.154 10 10 DGCE CCNC(=O)c1cc(CC)nn1[C@H](C)c1cc(C)c(C)cc1O 2070135134 UGUXVSWNCXEUJV-CYBMUJFWSA-N 315.417 3.127 10 10 DGCE C[C@@H]([C@@H]1CCCCO1)N(C)c1cc(Cl)c(CN)cc1F 2177380463 DWIAQUUMDBEANT-BONVTDFDSA-N 300.805 3.332 10 10 DGCE Cc1cccc(Cn2nc(C3CC3)c(C(=O)O)c2C(F)F)c1O 2079082050 NMWAUMWIOXZWRB-UHFFFAOYSA-N 322.311 3.459 10 10 DGCE CCc1c(C(F)(F)F)nn(Cc2cccc(Cl)c2O)c1N 2079828534 MFHHZYXRELNISJ-UHFFFAOYSA-N 319.714 3.454 10 10 DGCE CC(C)(C)[C@H]1COCCN1c1cc(Cl)c(CN)cc1F 2191932535 BMRLFIAVKUNAAR-CQSZACIVSA-N 300.805 3.189 10 10 DGCE COc1ccc2c(c1O)[C@@H](Cc1ccc(O)cc1)[N+](C)(C)CC2 6068298 POJZOQWVMMYVBU-MRXNPFEDSA-O 314.405 3.023 10 10 DGCE endogenous,in-man CN[C@@H](c1ccc(N(C)C)cc1)c1ccoc1Br 2044707916 HZMLKXVSQXLRBU-ZDUSSCGKSA-N 309.207 3.417 10 10 DGCE CNCc1ccc(N2CCC[C@@H]2[C@H](C)F)c(Br)c1 2060891646 WHRFHOGQYHOKQS-GXFFZTMASA-N 315.230 3.495 10 10 DGCE COc1ccc(N2C[C@@H](N)CC[C@H]2C(F)(F)F)cc1Cl 2203010874 OPKDGCQVAHBMNU-UFBFGSQYSA-N 308.731 3.207 10 10 DGCE O=C(C=Cc1cncc(F)c1)N1CCc2c(F)cc(F)cc21 2297493675 SYTQDUYUQKBHKM-UHFFFAOYSA-N 304.271 3.101 10 10 DGCE CN(C[C@H]1CC[C@@H]2C[C@H]12)c1ccc(CO)cc1Br 2308627690 FGQFOESCNWQNAG-UPJWGTAASA-N 310.235 3.424 10 10 DGCE CNCc1ccc(N2C[C@@H]3C[C@H]2[C@@H]2C[C@@H]32)cc1Br 2308721962 DNFPLIWITMJLNK-DNVSUFBTSA-N 307.235 3.013 10 10 DGCE NC(=O)C1CCN(N=Nc2ccc(Cl)cc2Cl)CC1 2330309939 YXWBSHVRFMEPPP-UHFFFAOYSA-N 301.177 3.189 10 10 DGCE Cc1ccc(CNC(=O)OCC(C)C)c(O)c1Br 2327630935 NLBUSCOIORYDEL-UHFFFAOYSA-N 316.195 3.345 10 10 DGCE Cc1ccc(Cl)cc1NS(=O)(=O)Cc1ccc(N)cc1 20554816 XWFRWEDAURDJSG-UHFFFAOYSA-N 310.806 3.173 10 10 DGCE CN(C(=O)c1ccc(Br)s1)c1ccc(N)cc1 34939039 QCZVTDUXZNINOY-UHFFFAOYSA-N 311.204 3.369 10 10 DGCE COc1ccc(N2CC[C@@H](CNCC(F)(F)F)C2)cc1Cl 107940720 ZRJVZDAIWZKXKJ-JTQLQIEISA-N 322.758 3.327 10 10 DGCE C/C(=C/C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C1CC1 117975070 DULCRNRYVJGRAP-IFCKCIONSA-N 315.413 3.256 10 10 DGCE CC(=O)N[C@H]1CCCN(Cc2cc(C)cc(C(C)(C)C)c2O)C1 124062535 XWLYOZBWHJKQRX-INIZCTEOSA-N 318.461 3.099 10 10 DGCE Oc1ccc2ccccc2c1CNC[C@@H]1CSCCS1 125204894 UDJNZQOFIRWNKE-CYBMUJFWSA-N 305.468 3.484 10 10 DGCE Cc1cc(O)ccc1C(=O)NCCCSc1nccs1 130240343 KIQAOIIVJALJIF-UHFFFAOYSA-N 308.428 3.069 10 10 DGCE COC(=O)c1cnc(/C=C/c2ccc3c(c2)CCN3C)s1 130913038 XGHPMHYIMLVGBO-GQCTYLIASA-N 300.383 3.092 10 10 DGCE O=C1c2ccccc2C(=O)c2c1cccc2C(=O)N1CCCCC1 175275675 CSJQCIMOGBXKMP-UHFFFAOYSA-N 319.360 3.088 10 10 DGCE O=C(Nc1ccccc1)[C@H]1CCCN(Cc2ccccc2O)C1 179554851 LRLIWSYRPOJTEO-INIZCTEOSA-N 310.397 3.243 10 10 DGCE Cn1nccc1C1CCN(Cc2cccc(Cl)c2O)CC1 179981496 LLDBTFDIITZGCH-UHFFFAOYSA-N 305.809 3.159 10 10 DGCE Cc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1cc(Cl)ccc1O 186096280 BTJOHTFTLXWKGC-TVQRCGJNSA-N 306.797 3.131 10 10 DGCE CN(Cc1ccccc1O)C(=O)c1csc(C(F)(F)F)n1 189149041 PPQHHUPEKDRNOF-UHFFFAOYSA-N 316.304 3.140 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1NCc1cccc(F)c1O 227632900 MHMKLJSHTWZOLJ-KGLIPLIRSA-N 324.396 3.067 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)Nc1ccccc1Br 240767534 AURHSXYMYKMNON-UHFFFAOYSA-N 322.158 3.042 10 10 DGCE C[C@H](N[C@H](C)c1cc(Br)ccc1O)c1cn[nH]c1 273353071 CEGHOFKGGTZVBZ-DTWKUNHWSA-N 310.195 3.290 10 10 DGCE C[C@H](N[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)c1ccccc1O 381377008 OGUCVNHWRMXANR-AGIUHOORSA-N 308.422 3.345 10 10 DGCE COc1ncccc1NCc1ccc(Br)cc1O 691455417 PLZWAMWQCCYZPB-UHFFFAOYSA-N 309.163 3.170 10 10 DGCE COc1cc(Cl)cc(CNOCCCC(F)(F)F)c1O 710088886 YGDVKALZDACPSG-UHFFFAOYSA-N 313.703 3.418 10 10 DGCE C[C@H](CNCc1cc(Br)ccc1O)[C@H]1CCCO1 720531218 XMPPGGSEKHBPDQ-QMTHXVAHSA-N 314.223 3.059 10 10 DGCE CC(C)c1cccc(S(=O)(=O)Nc2ccc(O)cc2F)c1 758169706 YGWWTBJTNTXQBX-UHFFFAOYSA-N 309.362 3.456 10 10 DGCE Oc1ccc(F)cc1CN1CCCN(c2ccccc2F)CC1 809712835 VNNBAWAVGJYCHR-UHFFFAOYSA-N 318.367 3.383 10 10 DGCE CCN(CC)c1ccc(CNC(=O)N2CC(C3CC3)C2)cc1 813043402 KKHNMNHMAYMCBV-UHFFFAOYSA-N 301.434 3.084 10 10 DGCE COc1ccc(N(Cc2ccccc2)C[C@H]2COCCO2)cc1 828113637 LSYHOSCWYHKILD-IBGZPJMESA-N 313.397 3.117 10 10 DGCE C[C@@H](NC/C=C\c1ccc(N(C)C)cc1)C(=O)Nc1ccccc1 835040388 OWCRUTFBDFXWAJ-XITLMJRVSA-N 323.440 3.383 10 10 DGCE CN(C)c1ccc(CN2C[C@]34CCCC[C@@]3(COC4)C2)cc1 852758309 DCIWDJMGCMGBCQ-OALUTQOASA-N 300.446 3.145 10 10 DGCE CCCC(C)(C)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 854300883 CLKJDLXNHVQIGZ-AWEZNQCLSA-N 319.449 3.152 10 10 DGCE c1cc(N2CCCC2)ccc1CNc1ccc(N2CCCC2)nn1 865443171 VALZCQCUDTZTGJ-UHFFFAOYSA-N 323.444 3.289 10 10 DGCE CO[C@@H]1CC[C@@H](C)N(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 868515927 XDEUFTMTXAASBT-CKEIUWERSA-N 319.449 3.023 10 10 DGCE COc1ccccc1C(C)(C)C(=O)N1Cc2cccc(O)c2C1 871201145 PXLFOBPJDMGLJP-UHFFFAOYSA-N 311.381 3.221 10 10 DGCE COc1cc(C)cc(CN[C@@H](c2ccccc2F)[C@H](C)O)c1O 895133508 KRPXGMZBAPTOJL-YVEFUNNKSA-N 319.376 3.060 10 10 DGCE CCC1(N2CCC2)CCN(Cc2cc(F)cc(F)c2O)CC1 895821092 BRMBRLAEYBDXBX-UHFFFAOYSA-N 310.388 3.121 10 10 DGCE COc1cc(Cl)cc(CN2CC[C@H]([C@@H]3CCCO3)C2)c1O 895843814 CRULTQHQPLETIY-FZMZJTMJSA-N 311.809 3.055 10 10 DGCE Cc1cc(CN2CCCC[C@H]2[C@@H]2CCNC2)ccc1N(C)C 923365137 UALFGMBVYOKIOP-MJGOQNOKSA-N 301.478 3.025 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)N[C@H](C)C(C)(C)OC 925497943 AOHNAEVHBGPOLG-CYBMUJFWSA-N 308.422 3.127 10 10 DGCE CC[C@H](NC[C@H]1CNCCC1(F)F)c1ccc(N(C)C)cc1 925782739 MOZOFVJXCUVAFM-ZBFHGGJFSA-N 311.420 3.038 10 10 DGCE c1c2c(cc3c1OCO3)[C@@H]1CCc3cc4c(cc3N1CC2)OCO4 1083040787 YHNPPTYQEPECRU-AWEZNQCLSA-N 323.348 3.194 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1cccc(F)c1O 1157051380 UWSSEAAVIRFMMD-UHFFFAOYSA-N 311.312 3.320 10 10 DGCE CCCN(CCOC)Cc1cc(Br)cc(F)c1O 1235058163 YDUTVOMQHWOCJN-UHFFFAOYSA-N 320.202 3.152 10 10 DGCE O=C(Nc1c(Cl)ccc2nonc12)c1cncc(Cl)c1 1271356144 KNJALHVMXPPIFK-UHFFFAOYSA-N 309.112 3.177 10 10 DGCE CCN1C(=O)/C(=C\c2nc3c(s2)C[C@H](C)CC3)SC1=S 1320399803 WKQGUNKLYOXXJO-XAPLUZPNSA-N 324.496 3.489 10 10 DGCE Cn1cnc(/C=C\C(=O)N2CCCCc3c(Cl)cccc32)c1 1435834881 MBHIARINJLHBHO-HJWRWDBZSA-N 315.804 3.456 10 10 DGCE O=C(Cc1ccc(C2CCC2)cc1)NCc1c(O)cccc1O 1456323427 RSDHSFMSCWBZKS-UHFFFAOYSA-N 311.381 3.224 10 10 DGCE COC(=O)CN(Cc1ccc(N(C)C)cc1)C1CCCCC1 1460375875 VEGJYPAIQUHUST-UHFFFAOYSA-N 304.434 3.060 10 10 DGCE C[C@@H](c1cc(F)ccc1F)N(C)C(=O)Cc1ccc(O)c(O)c1 1464071108 HXJZZZHIRBAIQT-JTQLQIEISA-N 321.323 3.138 10 10 DGCE CCCC[C@@H](O)CCC(=O)N(C)Cc1ccc(N(C)C)cc1 1539188476 QWPNXCBUYUMZIX-QGZVFWFLSA-N 306.450 3.042 10 10 DGCE Cc1cc(C(=O)NC[C@H]2C[C@H]3C=C[C@H]2C3)c(C)n1-c1ccccn1 1558792885 FLBKKSFJPNGMKZ-YESZJQIVSA-N 321.424 3.431 10 10 DGCE Cc1cnc([C@@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)s1 1621756225 OEOWGOUZDPMAMR-SECBINFHSA-N 317.374 3.105 10 10 DGCE CC(C)[C@@H](c1ccccc1)N(C)C(=O)Cc1ccc(O)c(O)c1 1633355548 HWFFUYIORPWBGL-IBGZPJMESA-N 313.397 3.496 10 10 DGCE CS[C@@H](C(=O)NCc1cc(C)ccc1O)c1ccccc1 1641733384 UDODCGPVAHPFEZ-MRXNPFEDSA-N 301.411 3.421 10 10 DGCE Cc1ccc(NC(=O)CN[C@@H](C)c2ccccc2O)cc1F 1659815638 PGLVXHNBZQKICI-LBPRGKRZSA-N 302.349 3.129 10 10 DGCE CCN1N=C(c2ccccc2)/C(=C/c2cccc(OC)c2O)C1=O 1865658599 NPSWJODSGOQTTC-QINSGFPZSA-N 322.364 3.051 10 10 DGCE CCCN1N=C(C)/C(=C\c2ccc(OCC)c(OCC)c2)C1=O 1865665225 IFARUZKDVZVYSX-RVDMUPIBSA-N 316.401 3.496 10 10 DGCE O=C(O)C=Cc1ccc(OCCSc2nccs2)cc1 1911805093 OPPRXZRIUBHAIS-UHFFFAOYSA-N 307.396 3.412 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)Cc2cccc(Br)c2)C1 1912143834 LHRNAAPLOUKVRF-NSHDSACASA-N 323.194 3.150 10 10 DGCE CN(Cc1cnn(Cc2ccccc2)c1)c1ccc(CN)c(F)c1 1915032881 CLGYZZCZNLFZQF-UHFFFAOYSA-N 324.403 3.166 10 10 DGCE Oc1cccc2c1[C@@H](NCc1ncccc1Br)CC2 1927115840 ZZHMRVIERQVKPN-LBPRGKRZSA-N 319.202 3.327 10 10 DGCE CN(C)CCN(Cc1ccccc1)c1ccc(CN)c(Cl)c1 1931939671 APWMATGWVACKJJ-UHFFFAOYSA-N 317.864 3.367 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CC[C@H]([C@H](N)c2ccccc2O)CC1 1936967218 FOQMFXBQFUYGNL-XEZPLFJOSA-N 320.433 3.476 10 10 DGCE CC(C)(C)OC(=O)N[C@]1(C)CCC[C@H]1[C@@H](N)c1ccccc1O 1937394421 YVKHZSSDKBGYDL-DHSIGJKJSA-N 320.433 3.476 10 10 DGCE C[C@H](N(C)c1ccc(CN)cc1Br)C(F)(F)F 1946325257 MRRHTXBSTVLDTN-ZETCQYMHSA-N 311.145 3.295 10 10 DGCE COC(C)(C)[C@H](N)c1ccc(NC(=O)OC(C)(C)C)cc1O 1952417490 FQMCERXCCOZUOS-CYBMUJFWSA-N 310.394 3.164 10 10 DGCE CC[C@@H]1[C@H](Nc2ccc(N)cc2)CCN1C(=O)OC(C)(C)C 1959365652 HSUNKRQKOMZQFB-HUUCEWRRSA-N 305.422 3.469 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1C[C@H](Nc2ccc(N)cc2)C1(C)C 1959367341 OJJBJNWADUGCDZ-KBPBESRZSA-N 305.422 3.373 10 10 DGCE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)CCN=[N+]=[N-] 1962286497 ARKYDMSQJHMFHC-STQMWFEESA-N 311.430 3.264 10 10 DGCE CC(C)(C)OC(=O)N1CCN(CCN=[N+]=[N-])C2(CCC2)CC1 1962299967 OVBFWVXEALTZFQ-UHFFFAOYSA-N 309.414 3.162 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1C[C@H](CCNCc2ccccc2O)C1 1974425905 ODVGMAVRJHYUIT-CTYIDZIISA-N 320.433 3.175 10 10 DGCE CC[C@@H]1C[C@@H]([C@H](N)c2ccccc2O)N(C(=O)OC(C)(C)C)C1 1976298452 UHMCFFCJNQSURQ-IVMMDQJWSA-N 320.433 3.428 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](Nc3c(N)cccc3F)[C@H]2C1 1977664963 RKVDQGREALSLRF-MJVIPROJSA-N 321.396 3.075 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CCCN2c1ccc(N)cc1 1977977448 CDEUGXJSOOBIEM-CVEARBPZSA-N 317.433 3.247 10 10 DGCE Nc1ccc(N2CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1 1980347012 RXTWCKJPLKMMRQ-ZWKOTPCHSA-N 307.441 3.227 10 10 DGCE CCN[C@H](c1nc(Br)cs1)c1ccccc1O 2000385960 WJXKTRNNYKHHLS-NSHDSACASA-N 313.220 3.310 10 10 DGCE CNCc1ccc(N(C)CC[C@@H](C)OC)cc1Br 2059361740 GQPQKPGQZFBKQC-LLVKDONJSA-N 315.255 3.030 10 10 DGCE COc1cccc(O)c1[C@@H](C)n1nc(-c2ccccc2)cc1CN 2070125971 ZSCMQDCJYMEQLI-CYBMUJFWSA-N 323.396 3.332 10 10 DGCE COc1ccc(O)c(Cn2nc(C(C)(C)C)c(C3CC3)c2N)c1 2079777305 PZGPGMSDOBSHSQ-UHFFFAOYSA-N 315.417 3.403 10 10 DGCE Nc1ccc(CC[C@@H](O)c2csc(C(F)(F)F)n2)cc1 2144151995 YOMZBTXRGYMOKH-LLVKDONJSA-N 302.321 3.410 10 10 DGCE COCCN(c1ccc([C@@H](C)O)c(Cl)c1)[C@H]1CCSC1 2170156851 JTPGRGIAURVMBO-YPMHNXCESA-N 315.866 3.352 10 10 DGCE Oc1cc(Cl)ccc1CNC[C@@H]1OCC[C@@H]1C(F)(F)F 2240544188 QCKDGPZKWYIGRI-JQWIXIFHSA-N 309.715 3.103 10 10 DGCE COc1ccc(N2CC3(C2)CC3(F)F)cc1Br 2306901835 MFAMHPVVICLCBY-UHFFFAOYSA-N 304.134 3.303 10 10 DGCE CN(c1ccc(CO)cc1Br)[C@@H]1C[C@@H]2C[C@H]1[C@H]1C[C@@H]21 2330303745 AOAIPPMITXBXIY-AYZOYYRMSA-N 322.246 3.422 10 10 DGCE CCN1N=C(c2ccc(OC)cc2)C(=Cc2ccccc2O)C1=O 2332140523 NSDUHKKLZHJCQV-UHFFFAOYSA-N 322.364 3.051 10 10 DGCE Cn1nc(C(F)F)c(CN2CCC[C@H](N=[N+]=[N-])C2)c1Cl 2364934311 WXISBOCYNYYOKF-ZETCQYMHSA-N 304.732 3.286 10 10 DGCE Oc1ccc(CNCc2ccc(Br)cc2)cc1O 42238805 NEEKJNAAUNYDLP-UHFFFAOYSA-N 308.175 3.150 10 10 DGCE O=C(O)[C@@](CCC1CC1)(CSc1nccs1)NC1CC1 2366634079 SPCNPVIGFBJGIY-CQSZACIVSA-N 312.460 3.001 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccc(C2CC2)cc1 191319541 XCNJJVFEVUKCMA-ONNFQVAWSA-N 309.365 3.305 10 10 DGCE COc1cc(Cl)c(N(C[C@@H](C)O)C(C)(C)C)c(OC)c1 2368100696 JZUMPKSKNUZDGY-SNVBAGLBSA-N 301.814 3.343 10 10 DGCE Cc1cc(C)cc([C@@H]2CCN(C(=O)c3cccc(O)c3O)C2)c1 193161034 XOKLFJJWDDYXPS-CQSZACIVSA-N 311.381 3.344 10 10 DGCE COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CC34CC4)ccc21 424966413 CPGLPGNMIWPDKD-QGZVFWFLSA-N 312.413 3.187 10 10 DGCE CC(C)[C@@H]1CN(c2ccc(OC(F)(F)F)cc2)[C@H](C)CN1 86151589 BXOMLGRXNOUEGD-RISCZKNCSA-N 302.340 3.408 10 10 DGCE Cc1ccc(O)c(CN[C@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 382476851 JLECBFQNDYDIDW-GJZGRUSLSA-N 320.433 3.236 10 10 DGCE CCOCc1nc([C@H](C)N[C@H](C)c2cc(C)ccc2O)no1 290113699 IWZZQKZJWYZALU-NEPJUHHUSA-N 305.378 3.032 10 10 DGCE Cc1cncc(/C=C/C(=O)N(C[C@H]2CCCO2)c2ccncc2)c1 130011711 UZRZEIUSPJHLIF-SHCNBLLESA-N 323.396 3.010 10 10 DGCE CC[C@H](NCCCNCc1cccnc1)c1ccc(C)cc1O 817942233 ZJISBKDTUAAZSN-SFHVURJKSA-N 313.445 3.316 10 10 DGCE Oc1cc(F)c(F)c(F)c1[C@@H](C1CCCC1)N1CCOCC1 575303756 MJOQFBGKTVPKBQ-MRXNPFEDSA-N 315.335 3.373 10 10 DGCE CC[C@](C)(C(=O)OC)N(Cc1cccc(C)c1O)CC1CC1 822504329 RZBQRXNIVNQNLB-GOSISDBHSA-N 305.418 3.254 10 10 DGCE CC(C)(C)c1cc(COC(=O)/C=C/c2ccc(O)c(O)c2)no1 837588434 RKWNQAQZIGUDNU-FNORWQNLSA-N 317.341 3.140 10 10 DGCE COc1c(C)cc(CN(C)C(=O)c2cc(O)cs2)cc1C 732282112 JTBJPFFWCISPKI-UHFFFAOYSA-N 305.399 3.351 10 10 DGCE COC(=O)/C=C\c1ccc(N2CCC[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 742411294 NVZYBJBBGCQYDC-JWRBQHRDSA-N 318.373 3.406 10 10 DGCE O=C1NC(=S)S/C1=C\c1ccccc1OCC(F)(F)F 741840012 AZWZIICSGMHSRB-UITAMQMPSA-N 319.329 3.117 10 10 DGCE Cc1cc(O)c(CNCc2nccn2C(F)F)c(Cl)c1 840885255 AJXXPMJQPWRWLI-UHFFFAOYSA-N 301.724 3.235 10 10 DGCE CC(C)[C@@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 755127212 OCEYAVOTIFPQHA-QGZVFWFLSA-N 315.461 3.474 10 10 DGCE Cc1cc(C)c([C@H](C)NC[C@]23OCCC[C@H]2C3(F)F)c(O)c1 850532131 JZXDWGYJKFABIW-BJJXKVORSA-N 311.372 3.474 10 10 DGCE COC(=O)c1ccc(O)c([C@H](C)N[C@H](C)c2cscn2)c1 850511336 CHLFDHNLUMEDBN-VHSXEESVSA-N 306.387 3.047 10 10 DGCE CC(C)Cn1ccnc1CN[C@H](C)c1cc([N+](=O)[O-])ccc1O 756596380 CIWDXCRXMXZLGB-GFCCVEGCSA-N 318.377 3.004 10 10 DGCE CC[C@@H](N[C@@H](COC)C1CCOCC1)c1ccc(C)cc1O 850494749 XXXJSMFCZAMDEU-SJORKVTESA-N 307.434 3.183 10 10 DGCE Cc1cc(C)cc(-n2c(C)cc(C(=O)NCC3COC3)c2C)c1 863353914 PDTAFQKQAQQYBP-UHFFFAOYSA-N 312.413 3.087 10 10 DGCE CCOc1ccc(N2CCN(C(=O)[C@@H]3CCC3(C)C)CC2)cc1 1118690038 QPPCBVWMPIWYPA-KRWDZBQOSA-N 316.445 3.170 10 10 DGCE C[C@H](NCCC[C@H]1CCOC1=O)c1cc2c(cc1O)CCCC2 872111641 FLPQNRVPWWAUIA-KBPBESRZSA-N 317.429 3.265 10 10 DGCE CCCC[C@@](C)(CO)NCc1ccc(Br)cc1O 1118640293 HNUQRERESGSWSL-AWEZNQCLSA-N 316.239 3.186 10 10 DGCE COc1ccc(O)c(CN2CCc3cc(OC)c(F)cc3C2)c1 777440597 MMAFMSNMWRCZTQ-UHFFFAOYSA-N 317.360 3.107 10 10 DGCE COc1ccc(CCc2nccn2Cc2ccccc2O)cc1 82736256 QHCGIZJBWCLLJO-UHFFFAOYSA-N 308.381 3.431 10 10 DGCE CCc1ccc([C@@H](C)NC(=O)c2c(F)ccc(O)c2O)cc1 789939522 OIEPMMPWPANLLM-SNVBAGLBSA-N 303.333 3.290 10 10 DGCE CCC1(N2CCC2)CCN(Cc2cccc(Cl)c2O)CC1 895828517 VYKASSPDNICHJV-UHFFFAOYSA-N 308.853 3.496 10 10 DGCE CC[C@H]1OCC[C@@H]1CNCc1ccc(Br)cc1O 701143188 SDGPRYBFTFLCSB-BXUZGUMPSA-N 314.223 3.059 10 10 DGCE C[C@@H](CN[C@H](C)c1cc(O)ccc1O)N(C)Cc1ccccc1 390541092 QZPRYGSNGXUHCL-LSDHHAIUSA-N 314.429 3.269 10 10 DGCE COc1ccc(CNC(=O)C(C)(C)c2ccccc2F)c(O)c1 794374358 QGRMDOFBOGSJMG-UHFFFAOYSA-N 317.360 3.134 10 10 DGCE CO[C@H](C(=O)NCc1cc(Cl)ccc1O)c1ccc(F)cc1 1300396610 ZXNXIBXXKRGOPY-HNNXBMFYSA-N 323.751 3.189 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)Nc1ncsc1C1CC1 1303223470 QWMYJELENATQGN-KXFIGUGUSA-N 302.355 3.084 10 10 DGCE CCOc1ccc(N2CCN(C(=O)[C@H]3C[C@H]3C(C)C)CC2)cc1 1320679172 IECDUWFJFDUDQR-ROUUACIJSA-N 316.445 3.026 10 10 DGCE NCc1ccc(N(CCCO)Cc2ccccc2)cc1C1CC1 1901159536 NMURGHPBDOQZIH-UHFFFAOYSA-N 310.441 3.412 10 10 DGCE COC(=O)c1cnc(Sc2ncnc3sccc23)s1 1458392081 OZKFQKDDBLUCTH-UHFFFAOYSA-N 309.397 3.086 10 10 DGCE Cc1cccc(C2=CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)c1 1566897876 JVYGOUKLMRUVND-UHFFFAOYSA-N 323.392 3.265 10 10 DGCE O=C(/C=C/c1ccc(Cl)nc1)NCc1cc(Cl)ccc1O 1583820771 LHPGMFNAGPTGNN-QHHAFSJGSA-N 323.179 3.424 10 10 DGCE CCOC(=O)[C@H](NCCCN=[N+]=[N-])c1ccc(F)c(Cl)c1 163862310 REYJPXHGLLWCCN-GFCCVEGCSA-N 314.748 3.373 10 10 DGCE CC1=NN(Cc2ccccc2)C(=O)/C1=C/c1ccc(C(=O)O)cc1 102037314 KOYPGKUVGDXBNW-GZTJUZNOSA-N 320.348 3.187 10 10 DGCE Cc1ccc(O)c([C@@H](C)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c1 1938278574 BFZWYDSILDDJNP-MGPQQGTHSA-N 320.433 3.407 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[C@@H](N)c1ccccc1O 1936984506 OIWQXNRAIXYEFV-HEHGZKQESA-N 320.433 3.333 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]([C@@H](N)c2ccccc2O)CC1 1936967217 FOQMFXBQFUYGNL-DVOMOZLQSA-N 320.433 3.476 10 10 DGCE CN(c1ccc(CO)c(Br)c1)C1CC(F)(F)C1 1942049644 CAUBYFLGEURDNY-UHFFFAOYSA-N 306.150 3.175 10 10 DGCE CN1CCC(CN(Cc2ccco2)Cc2ccccc2O)CC1 891393146 AAXIHCZAFWFUHQ-UHFFFAOYSA-N 314.429 3.329 10 10 DGCE CN(CCN=[N+]=[N-])c1ccc(CNC(=O)OC(C)(C)C)cc1 1962300857 SULQTUZRSKTNTL-UHFFFAOYSA-N 305.382 3.458 10 10 DGCE CN1CCc2cc([C@H](O)CCCNCc3ccccc3)ccc21 1977938915 MKAAHGRPANXJMT-HXUWFJFHSA-N 310.441 3.282 10 10 DGCE CN(C)c1ccc([C@H](O)c2ccnn2Cc2ccccc2)cc1 1994382497 NMOBJIVTARFRSE-IBGZPJMESA-N 307.397 3.079 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC2(CCC2)[C@H]1Oc1ccc(N)cc1 1994748251 IZDDCNMJJBYIGD-CABCVRRESA-N 318.417 3.484 10 10 DGCE Cc1cc(CN)ccc1N1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 2014348692 XNADYZDMNRTZLU-PMACEKPBSA-N 321.468 3.164 10 10 DGCE C[C@H](F)[C@@H]1CCCN1c1ccc(CN)c(Br)c1 2010593105 UUQZDLKKFIYQTI-ZANVPECISA-N 301.203 3.235 10 10 DGCE CN[C@@H]1CCc2cc(N(CCN(C)C)Cc3ccccc3)ccc21 2012691976 DYBZVLRKKMCLTJ-OAQYLSRUSA-N 323.484 3.462 10 10 DGCE NCc1ccc(N2CCC[C@@H]3CC[C@@H]32)c(F)c1Br 2034340353 XFYLNOPVJMDICM-KOLCDFICSA-N 313.214 3.426 10 10 DGCE C[C@@H]1CCO[C@@H]1CN(C)Cc1cc(Br)ccc1O 2034984721 LTBPNLPUCNZMTC-QMTHXVAHSA-N 314.223 3.012 10 10 DGCE Oc1c(F)cc(Br)cc1CN[C@@]12CCC[C@H]1C2 715812258 JNHWZJHRQVZXTO-TVQRCGJNSA-N 300.171 3.326 10 10 DGCE CN(CC[S@](C)=O)c1ccc(CNC(C)(C)C)c(Cl)c1 399084637 MMXJZWWKQNYBOU-FQEVSTJZSA-N 316.898 3.043 10 10 DGCE C[C@H](NCc1cccc(Br)c1O)[C@@H]1CC1(F)F 840967874 KNGVXQUYWXSXBA-CBAPKCEASA-N 306.150 3.288 10 10 DGCE CC(C)(C)OC(=O)c1cnn(Cc2cccc(Cl)c2O)c1 2069985109 BUFAHGXRZCLFBZ-UHFFFAOYSA-N 308.765 3.246 10 10 DGCE C[C@H](NCc1cc(Br)ccc1O)c1cncs1 897934405 IXPAXEOIVXEIOT-QMMMGPOBSA-N 313.220 3.462 10 10 DGCE CC[C@H](c1cc(C)c(C)cc1O)n1nc(C2CC2)c(CO)c1N 2079979226 MRWZDUAZRWDXIB-OAHLLOKOSA-N 315.417 3.157 10 10 DGCE Cc1nn(Cc2ccc(Br)cc2O)c(N)c1C(C)C 2080079619 JVRFUWLLEABJBI-UHFFFAOYSA-N 324.222 3.414 10 10 DGCE CO[C@H]1CCC[C@@H](NCc2ccc(Br)cc2O)C1 1172925016 BYTNIYNCGDBBGM-OLZOCXBDSA-N 314.223 3.202 10 10 DGCE CC(=O)c1ccc(O)c(CN2CCC(=CBr)C2)c1 2052242612 DZUWKNMIAJQWAO-UHFFFAOYSA-N 310.191 3.079 10 10 DGCE C[C@@H](N)c1ccc(N(C)[C@]2(C)CCOC2)c(Br)c1 2055450548 ZWPCVPMXKHZHOM-QMTHXVAHSA-N 313.239 3.084 10 10 DGCE Oc1c(F)cc(Br)cc1CN1C[C@@H](F)C[C@H](F)C1 2062334374 GNEAHFBKSZJWQE-UWVGGRQHSA-N 324.140 3.176 10 10 DGCE COc1ccc(N2CCC(=O)[C@H](C)[C@@H]2C)c(Br)c1 2221625259 LCIRPTBZGBWIAM-ZJUUUORDSA-N 312.207 3.262 10 10 DGCE CCCn1nc(Br)cc1N(C)Cc1ccc(N)cc1 2224286308 ARZYEHDQOBWKIB-UHFFFAOYSA-N 323.238 3.274 10 10 DGCE COC(OC)[C@@H]1CCCC[C@@H]1NCc1cnc(SC)s1 2284701228 ZHEUBRQXPXKLQI-NEPJUHHUSA-N 316.492 3.132 10 10 DGCE CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)NCc1cccnc1 2294492873 MTWXOCJSVBQRMV-UHFFFAOYSA-N 324.359 3.007 10 10 DGCE COc1cccnc1N(C)C(=O)C=Cc1cccc2cccnc12 2303610212 IIOLCUJLOBHSGN-UHFFFAOYSA-N 319.364 3.315 10 10 DGCE CCOC(=O)C1CCN(N=Nc2ccc([N+](=O)[O-])c(C)c2)CC1 2330246583 JJGQUFUPWQTJKT-UHFFFAOYSA-N 320.349 3.177 10 10 DGCE Cc1ccc(CN2CCCCCC2=O)c(O)c1Br 2327601677 BMYQMBHAKBOELW-UHFFFAOYSA-N 312.207 3.366 10 10 DGCE Cc1ccc(CNC[C@@]2(C)CCCO2)c(O)c1Br 2327623051 CUYDFXMALNDBAG-CQSZACIVSA-N 314.223 3.122 10 10 DGCE Cc1nc2cc(NC(=O)/C=C/c3ccc(O)c(O)c3)ccc2o1 180609519 DMRNEOZBQHSAHJ-XVNBXDOJSA-N 310.309 3.199 10 10 DGCE COc1cc(N(C)CCc2ccccc2)cc(OC)c1OC 125756916 XCRBIFGLAQZIHZ-UHFFFAOYSA-N 301.386 3.391 10 10 DGCE Cc1c(F)cc(C(N)=O)cc1NCc1cc(Cl)ccc1O 37120251 HSRAQQQDAYWZJH-UHFFFAOYSA-N 308.740 3.204 10 10 DGCE CC(C)(C)OC(=O)N[C@H](CN)c1ccc2ccccc2c1O 1951474225 XUBLXBVSZUKREQ-CQSZACIVSA-N 302.374 3.070 10 10 DGCE CC(C)[C@H]1CN(c2ccc(OC(F)(F)F)cc2)CCCN1 86269344 WSWVIAGFFOGCRK-CQSZACIVSA-N 302.340 3.410 10 10 DGCE Cc1ccc(O)c(CNCC2(NC(=O)OC(C)(C)C)CCC2)c1 230157305 CYGRMAXKFIKFNC-UHFFFAOYSA-N 320.433 3.238 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1c2ccccc2C[C@@H]1C 96643301 SETBHSKMVFBLMR-STQMWFEESA-N 311.381 3.254 10 10 DGCE Cc1cc(CN)ccc1N1CC[C@@H](COCc2ccccc2)C1 384156400 CSNUSFIXHSZPIW-LJQANCHMSA-N 310.441 3.497 10 10 DGCE CC(=O)c1cccc(NC(=O)N(C(C)=O)c2ccc(N)cc2)c1 240704874 ALAFXFLHJHCUNB-UHFFFAOYSA-N 311.341 3.056 10 10 DGCE COc1cc(N(C)C/C(Cl)=C\Cl)cc(OC)c1OC 254998271 DRYDJSOTJBEKGA-VQHVLOKHSA-N 306.189 3.468 10 10 DGCE COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CC[C@@H]3C)ccc21 356755921 MYPTZWKHWJOJLB-SJCJKPOMSA-N 314.429 3.433 10 10 DGCE CCCN(c1ccc(CN)cc1)C1CCN(c2ccccn2)CC1 278130949 CCRCSYUATDSIIV-UHFFFAOYSA-N 324.472 3.426 10 10 DGCE Cc1cc(O)c(CNc2cn(C)nc2-c2ccccn2)cc1C 371716155 MZPJMGUEDMFADN-UHFFFAOYSA-N 308.385 3.417 10 10 DGCE CCOC(=O)c1csc(NCc2ccc(N(C)C)c(F)c2)n1 295477353 JBEBNVCGXAUTAP-UHFFFAOYSA-N 323.393 3.137 10 10 DGCE CN(Cc1cc(Cl)c(F)cc1O)Cc1nccn1C(F)F 295363169 NWOFSSOYXUFNKT-UHFFFAOYSA-N 319.714 3.408 10 10 DGCE Nc1ccc(CCNC(=O)/C=C\c2ccc(Cl)s2)cc1 701167296 YKZPZPNPYRHXKR-VURMDHGXSA-N 306.818 3.356 10 10 DGCE CC(=O)C(=O)CS[C@@H](C)c1cccc(Br)c1 813582508 NBVQQYAIZFRLBL-VIFPVBQESA-N 301.205 3.401 10 10 DGCE CC(C)CC[C@H](c1cc([N+](=O)[O-])ccc1O)N1CCOCC1 575310110 BJEGNKSYMJTSBC-OAHLLOKOSA-N 308.378 3.110 10 10 DGCE O=C1CC[C@H]2CN(Cc3cccc4c3CCNC4)c3cccc1c32 662279241 IBUUKCDIOAQKNA-INIZCTEOSA-N 318.420 3.413 10 10 DGCE CCN(CC)c1ccc(CNC(=O)N2C[C@H](C)[C@@H]2C)cc1F 838392318 SWFFVXYYKUMDHJ-STQMWFEESA-N 307.413 3.222 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)NCC[C@@H]1CCCC1(F)F 914417949 YCBHWUCKZJFMGI-RNZFLTOJSA-N 311.328 3.053 10 10 DGCE CCN(CC)c1ccc(CN(C[C@@H]2CCC(=O)N2)C(C)C)cc1 840975692 KEKKNXHXCHKQPJ-KRWDZBQOSA-N 317.477 3.022 10 10 DGCE C[C@H]1CC[C@H](C)N(C(=O)NCc2ccc3c(c2)CCCN3C)C1 745788452 KWRZHZXDKCEBBT-GJZGRUSLSA-N 315.461 3.399 10 10 DGCE CC[C@@H]1C[C@H](C)CN1c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] 745975218 FUNPXOASAJNQBQ-PIEIZJNZSA-N 318.373 3.406 10 10 DGCE Cc1noc(C(C)C)c1NC(=O)NCCc1ccc(N)cc1 926203030 HSBAHJYLFWWGOH-UHFFFAOYSA-N 302.378 3.053 10 10 DGCE OC[C@@]1(CNCc2cccc(Cl)c2O)CCc2ccccc21 846010780 IJXAKZVAAXJLAJ-SFHVURJKSA-N 317.816 3.012 10 10 DGCE C[C@H](NCc1cccc(Cl)c1O)[C@](C)(O)c1ccccc1 846039445 SUFCXKTYRVIKFJ-SJCJKPOMSA-N 305.805 3.431 10 10 DGCE CCC[C@H](C)[C@@H](CO)NCc1cc(Cl)cc(C(C)=O)c1O 844378717 LUZQAJNOBXRZQM-ZUZCIYMTSA-N 313.825 3.135 10 10 DGCE CCOc1ccc(O)c(CN[C@H](c2ccccc2F)[C@@H](C)O)c1 846015746 DFQKJSRLKAUZKL-XIKOKIGWSA-N 319.376 3.142 10 10 DGCE COc1cccc([C@H](C)N[C@H](C)[C@](C)(O)c2ccccc2)c1O 846189002 RVSSOBXHYNXTAO-KSMMKXTCSA-N 315.413 3.348 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCCC3(C)C)C2)cc1 855223614 BKVXYFIYBNXOAA-YOEHRIQHSA-N 316.445 3.216 10 10 DGCE COc1cccc([C@H](C)NC[C@@H]2CCN2C2CCCC2)c1O 858531727 JLUUDQDWUBRQFY-ZFWWWQNUSA-N 304.434 3.068 10 10 DGCE CC[C@H](N[C@H]1C[C@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1O 858494121 CXAUSYPRKCYQON-LAEOZQHASA-N 317.216 3.004 10 10 DGCE C[C@H](NC(=O)N[C@@H]1C[C@H]1c1ccccc1F)c1ccccc1O 868696146 LGWNYUOIALYTHR-HZUKXOBISA-N 314.360 3.448 10 10 DGCE CC(=O)c1cc(Cl)cc(CN[C@@H]2CCCn3nccc32)c1O 879786146 DBGOAOKLAMTTBN-CQSZACIVSA-N 319.792 3.069 10 10 DGCE CC[C@@H](NCc1cc(Cl)cc(F)c1O)[C@H]1CCCOC1 895661346 ABKAPFGPFANIIG-IINYFYTJSA-N 301.789 3.480 10 10 DGCE CCN(Cc1cc(Br)cc(F)c1O)C[C@@H](C)OC 715772062 MRTLJCXWSGXUSB-SECBINFHSA-N 320.202 3.151 10 10 DGCE C[C@H](NC(=O)[C@@H]1CCC[C@@H](N(C)C)C1)c1ccc(N(C)C)cc1 1154667937 AEBBDNCMSHANOY-YXJHDRRASA-N 317.477 3.050 10 10 DGCE CCO[C@@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)C1CC1 1351175439 ATLOHFXAFSXLLQ-GOSISDBHSA-N 316.445 3.060 10 10 DGCE CC1=CC2=NC(=O)/C(=C\c3ccc(-c4ccccc4)o3)C(=N)N2O1 5013456 USRWAOOQISZBGA-TUALIXKCSA-N 319.320 3.397 10 10 DGCE Cc1cc(Cl)c2c(c1)CCCN2C(=O)/C=C\c1cn(C)cn1 1524953129 HDBQXXNULPNZDU-WAYWQWQTSA-N 315.804 3.375 10 10 DGCE CCO[C@@H](CN1CCCc2cc(OC)cc(OC)c21)C1CC1 1473554159 YLJJHHWKIIJYIT-KRWDZBQOSA-N 305.418 3.272 10 10 DGCE O=C(NCc1c(O)cccc1O)c1cc2ccc(Cl)cc2[nH]1 1472063744 PKVWQDWDUZHGGK-UHFFFAOYSA-N 316.744 3.163 10 10 DGCE C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1cc2cnccc2o1 1558068002 JSWSFBSVLKVIRQ-USEMIUTHSA-N 324.336 3.130 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](CC)CC(F)(F)F 1623573541 BRKWUWBYYZJJIT-JTQLQIEISA-N 324.339 3.473 10 10 DGCE O=C(NCc1cccc(Cl)c1O)NC[C@H]1CCCC12CC2 1565166093 IASHHPMASVQABI-GFCCVEGCSA-N 308.809 3.425 10 10 DGCE CN(C)c1ccc([C@@H](NC(=O)OC(C)(C)C)C(C)(C)CO)cc1 1927320303 ZJWAAUISFLIYHX-OAHLLOKOSA-N 322.449 3.337 10 10 DGCE CN[C@@H](c1ccccc1O)[C@@H](C)CN(C)C(=O)OC(C)(C)C 1928467668 NFUKISPFFWBGOW-SWLSCSKDSA-N 308.422 3.156 10 10 DGCE C[C@H](NC(=O)c1cc2ncccc2o1)c1ccc(N(C)C)cc1 1585422839 DJZYLJZYFNEFHD-LBPRGKRZSA-N 309.369 3.385 10 10 DGCE COCCNCc1ccc(N(C)CCC(F)(F)F)c(Cl)c1 164120785 DRISSHWYXMMNOD-UHFFFAOYSA-N 324.774 3.465 10 10 DGCE CCc1noc(C)c1NC(=O)N[C@H](C)c1cc(OC)ccc1O 155637220 ZFVBOGFFTBVGSR-SECBINFHSA-N 319.361 3.142 10 10 DGCE COc1cccc(/C=C2/C(=O)N(Cc3ccccc3)N=C2C)c1O 1865656640 POOOUDSIIQMVJJ-LFIBNONCSA-N 322.364 3.203 10 10 DGCE N#CC1(C#N)C(c2cccc(OCc3ccccc3)c2)C1(C#N)C#N 6927464 KLOICNQFEYDGHY-UHFFFAOYSA-N 324.343 3.430 10 10 DGCE Nc1ccc(CN2C[C@@H](c3cc(F)ccc3F)OC2=O)cc1 585896638 PAQKEEHRIJQUOB-HNNXBMFYSA-N 304.296 3.241 10 10 DGCE CCCN[C@H](c1ccccc1O)[C@H](O)c1scnc1Cl 2148165480 SQDUSWFFTZPVNX-NEPJUHHUSA-N 312.822 3.276 10 10 DGCE CN(c1ccc(N)cc1)[C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 1977970245 KVMIPHJJDKEZIP-BBRMVZONSA-N 319.449 3.398 10 10 DGCE Cc1ccc(CN[C@H]2CC[C@H]2CNC(=O)OC(C)(C)C)c(O)c1 1994457465 BNPGMOKXMBZOMG-ZFWWWQNUSA-N 320.433 3.094 10 10 DGCE OCc1ccc(N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1 1999620195 VXBGGGLTCWKOMI-NRFANRHFSA-N 322.452 3.281 10 10 DGCE CCNCc1ccc(N2CCC(F)(F)C2)cc1Br 313307719 ITDDHKBOPKEXNR-UHFFFAOYSA-N 319.193 3.404 10 10 DGCE Cn1cc(NCc2cccc(Cl)c2O)c(Br)n1 2216796502 AGQILHIWRDSIIK-UHFFFAOYSA-N 316.586 3.154 10 10 DGCE C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CC[C@H]1N(C)C 693631686 VYNAIDWSFDSZRT-QMTHXVAHSA-N 317.260 3.471 10 10 DGCE Oc1c(F)cc(Br)cc1CN[C@H]1C[C@H]1C1CC1 715744628 JNFGMIKARRRLHM-JQWIXIFHSA-N 300.171 3.182 10 10 DGCE COc1ccc(Cn2nc(C3CCCCC3)cc2CN)c(O)c1 2070110274 GHHRCNSRXSJZGS-UHFFFAOYSA-N 315.417 3.152 10 10 DGCE C[C@@H]1CCc2sc(C(=O)NCc3c(O)cccc3O)cc2C1 1456238138 YDRUGFBTHYUSNR-SNVBAGLBSA-N 317.410 3.214 10 10 DGCE CC[C@H](COC)N(C)c1ccc([C@H](C)N)cc1Br 2047310744 ZONZIFSUTUBJRD-CMPLNLGQSA-N 315.255 3.330 10 10 DGCE CN[C@H](C)c1ccc(N(C)Cc2cnco2)c(Br)c1 2105605331 SLYNWXHCXKSIBE-SNVBAGLBSA-N 324.222 3.354 10 10 DGCE Nc1ccc(CCNC(=O)c2snc(Cl)c2Cl)cc1 2110888564 DGWKAQZZVWRANG-UHFFFAOYSA-N 316.213 3.005 10 10 DGCE COCCNCc1cnc(SCc2ccc(Cl)o2)s1 2099104564 XCLUABGBKFEYKM-UHFFFAOYSA-N 318.851 3.418 10 10 DGCE CC[C@@H](C)NCc1ccc(N(C)CC[S@@](C)=O)c(Cl)c1 2240083287 ZEFWGASEVOZYDP-MPBGBICISA-N 316.898 3.043 10 10 DGCE CSc1ncc(CNc2nc(Cl)ccc2C(=O)O)s1 2269122377 WCHVZXLIJYNZFG-UHFFFAOYSA-N 315.807 3.224 10 10 DGCE Nc1ccc(CC[S@@](=O)C[C@@H]2CCCCC2(F)F)cc1 2283108819 ZGMIULPFSDUAQU-RNODOKPDSA-N 301.402 3.386 10 10 DGCE COc1ccc2c(c1)CCN2C(=O)/C=C\c1scnc1C 492686049 ZIQWOBLSNUIJCI-WAYWQWQTSA-N 300.383 3.063 10 10 DGCE CN1C(=O)COc2cc(N=NN3CCCc4ccccc43)ccc21 2330246228 UFDDEZGYAYWCDD-UHFFFAOYSA-N 322.368 3.493 10 10 DGCE C[C@@H]1[C@@H](NCc2cccc(F)c2O)CCN1Cc1ccccc1 309911665 SDFTUSDCOLVHOI-KDOFPFPSSA-N 314.404 3.284 10 10 DGCE COc1ccc(CNC[C@H](NC(=O)C(C)(C)C)C2CC2)cc1C 1269141196 ZJMDQHHCNHKYBP-INIZCTEOSA-N 318.461 3.034 10 10 DGCE COC(=O)c1ccc(Cl)c(NCc2ccc(O)cc2O)c1 37047888 PRNROMLHUZPYGG-UHFFFAOYSA-N 307.733 3.150 10 10 DGCE C[C@@H](NCC1(CCO)CC1)c1ccc(N2CCCCC2)cc1 188063251 HWUKKUZMZRWJSL-MRXNPFEDSA-N 302.462 3.490 10 10 DGCE c1ccc2c(c1)CCN(CCCNCc1ccc3c(c1)CCO3)C2 97497815 ZRTIGNSKYPCIAR-UHFFFAOYSA-N 322.452 3.160 10 10 DGCE C[C@@H](Nc1ccc(Br)nc1)c1ccc(O)cc1O 235216200 BBWKLKMOPVZTPM-MRVPVSSYSA-N 309.163 3.428 10 10 DGCE NCc1cc(F)c(N2CC[C@H](OCc3ccccc3)C2)c(F)c1 383908679 UJMJCHUCNCJBQE-HNNXBMFYSA-N 318.367 3.219 10 10 DGCE CN(c1ccc(CNC2CC2)cc1Cl)[C@H]1CCCC[C@H]1O 252925056 MBQNBRACQJHRQQ-DLBZAZTESA-N 308.853 3.332 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)COc1ccsc1 800514279 GGQUCEINLLHKRG-UHFFFAOYSA-N 305.399 3.271 10 10 DGCE Nc1cc(F)c(F)cc1C(=O)Nc1cccc(N2CCCC2)c1 390859739 KWPIDEGBRWQZCU-UHFFFAOYSA-N 317.339 3.400 10 10 DGCE COc1cccc2c1[C@@H](C(=O)N(C)Cc1ccccc1O)CC2 815796599 DCTDQNSGEJTZLH-HNNXBMFYSA-N 311.381 3.089 10 10 DGCE CO[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)C1CCC1 822898073 HTXAPZJBTNKYDV-GOSISDBHSA-N 318.461 3.305 10 10 DGCE CN(C)c1ccc(/C=C/CNC[C@H](C(=O)O)c2ccccc2)cc1 904057747 AMMFBTBASQSKMA-GHOSXJJBSA-N 324.424 3.224 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)NC2C[C@@H]3C[C@H]3C2)cc1 824860172 QSQOHCHYSKHLDS-HOTGVXAUSA-N 315.461 3.473 10 10 DGCE O=C(/C=C\c1cccc(O)c1)NCc1ccc(N2CCCC2)cc1 588535462 KTXMHGUXWUBGAY-FLIBITNWSA-N 322.408 3.322 10 10 DGCE CCN1CCC(N(C)C/C=C/c2ccc(N(C)C)cc2)CC1 835025327 IBWNVCIRDKUJJG-VOTSOKGWSA-N 301.478 3.182 10 10 DGCE CN(C)c1ccc(/C=C/CNC[C@H](O)CCc2ccccc2)cc1 835047212 CXLKZOAJTHDQOR-VHTFYLNKSA-N 324.468 3.349 10 10 DGCE CCN1CC[C@H](N(C)Cc2ccc(N(C)C)cc2C)[C@@H](C)C1 840917996 XTOUBNMTDXREJJ-LPHOPBHVSA-N 303.494 3.223 10 10 DGCE Cc1nc(C)c([C@@H](C)NCc2ccc(Br)cc2O)[nH]1 1893361065 PZPHQMKFUDBMHH-MRVPVSSYSA-N 324.222 3.345 10 10 DGCE C/C=C\CNC(=O)NCc1ccc(N2CCC(C)CC2)cc1 858204541 HVASUURECIOERC-ARJAWSKDSA-N 301.434 3.298 10 10 DGCE CCCNCc1ccc(OC)c(CSc2ncns2)c1 131345687 RMLWIMMWVKVLPI-UHFFFAOYSA-N 309.460 3.339 10 10 DGCE Fc1cc(CNC[C@@H]2CC[C@@H]3C[C@H]3C2)ccc1N1CCOCC1 858205134 RTEGVCSSPXAVEJ-DJIMGWMZSA-N 318.436 3.188 10 10 DGCE CCOc1ccc(O)c(CN2CCC[C@@H]2C2CCOCC2)c1 777439479 HWBGBXCJYSTFNR-QGZVFWFLSA-N 305.418 3.182 10 10 DGCE CN(C)c1ccc(CNC(=O)c2nsc3ccccc23)cc1 1124553909 XQXGQBDXWSARPV-UHFFFAOYSA-N 311.410 3.292 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)/C=C2/CC[C@@H](C)C2)cc1 1130745449 WXSFWPKUNKTRNT-VZHUHSAUSA-N 316.445 3.336 10 10 DGCE O=C(O)C1CCN(c2ccc(CNC3CCCC3)cc2)CC1 84828012 YAUVNVMSKQEFRT-UHFFFAOYSA-N 302.418 3.020 10 10 DGCE CCON(CC)C(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 1152141882 IXLARAXWORMRJL-UHFFFAOYSA-N 314.385 3.320 10 10 DGCE COC(=O)c1cnc(SCC(=O)C2C(C)(C)C2(C)C)s1 1166234503 MOLYQUSBRVFGNL-UHFFFAOYSA-N 313.444 3.273 10 10 DGCE Cc1ccc(O)c(CNC(=O)N[C@@H]2CCC[C@H](C3CC3)C2)c1 1252053362 NLUCXPGZYOGJLH-GOEBONIOSA-N 302.418 3.469 10 10 DGCE C[C@H](N[C@@H](CCO)COCc1ccccc1)c1ccccc1O 1902794070 FJQCUWPPCDWOSL-RDJZCZTQSA-N 315.413 3.011 10 10 DGCE Cc1cc[nH]c1C(=O)Nc1c(-c2ccccn2)nc2ccccn12 1516250090 ITLNKXISFLZUNY-UHFFFAOYSA-N 317.352 3.285 10 10 DGCE CN(CCCN=[N+]=[N-])CCOc1cccc(Br)c1 1912143981 MURKSVPEUYTQAK-UHFFFAOYSA-N 313.199 3.460 10 10 DGCE Cc1nocc1C(=O)N(Cc1ccco1)Cc1ccccc1O 1294671393 IYGKHNRDMPSKPM-UHFFFAOYSA-N 312.325 3.124 10 10 DGCE Cc1cc(C(=O)NC2CC(=O)C2)c(C)n1-c1cccc(Cl)c1 1450091699 DAMYYTMPCJPROP-UHFFFAOYSA-N 316.788 3.209 10 10 DGCE CN(C)c1ccc(CNC(=O)c2cc3c([nH]2)CCCC3)cc1F 1292278779 WFOPVZOGJSXNFF-UHFFFAOYSA-N 315.392 3.029 10 10 DGCE O=[N+]([O-])c1c[nH]c2ccc(F)cc2c1=NCc1ccccc1O 1458148686 ZMXFQXWRHKFGHE-UHFFFAOYSA-N 313.288 3.022 10 10 DGCE CC[C@@H](CNC(=O)[C@H](C)C(C)C)NCc1ccc(OC)c(C)c1 1715073267 HWOJJAZMFPACSQ-WBVHZDCISA-N 320.477 3.280 10 10 DGCE C[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(N=NC(N)=O)cc1 1620857488 OPDXZQRCKXBTCN-GFCCVEGCSA-N 322.368 3.436 10 10 DGCE C[C@H]1CCc2c(C(=O)NCc3c(O)cccc3O)csc2C1 1558534708 XEAIQECRIKDBNZ-JTQLQIEISA-N 317.410 3.214 10 10 DGCE CCO[C@H]1C[C@H](NC(=O)c2ccc(C)c(O)c2O)C1(CC)CC 1566143194 OWFJDDFCKKUODT-KBPBESRZSA-N 321.417 3.120 10 10 DGCE C=Cc1ccc(S(=O)(=O)NCc2cccc(Cl)c2O)cc1 1562008626 VUZICRPPJPTUNG-UHFFFAOYSA-N 323.801 3.167 10 10 DGCE CC(C)NCc1ccc(N2[C@H]3CC[C@@H]2CC(O)C3)c(Cl)c1 164086454 KMWCFZFGIQLHRC-YIONKMFJSA-N 308.853 3.330 10 10 DGCE CN[C@@H](c1ccccc1O)[C@H](C)C1CN(C(=O)OC(C)(C)C)C1 1936976521 TXRCXUBLTGZQKX-MLGOLLRUSA-N 320.433 3.156 10 10 DGCE C[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2O)[C@@H]1C(=O)O 818631946 WQSXVSYPHHDRGM-PELKAZGASA-N 318.200 3.384 10 10 DGCE CN(CCCN=[N+]=[N-])CC1CCN(C(=O)OC(C)(C)C)CC1 1962287496 IWBPLLMXTSTOAD-UHFFFAOYSA-N 311.430 3.266 10 10 DGCE C[C@@H](F)[C@H]1CCCN1Cc1ccc(Br)cc1O 2010592310 VRWYCKMMLZAZKZ-BXKDBHETSA-N 302.187 3.477 10 10 DGCE CN(Cc1ccccc1)C1CN(c2ccc3c(c2)CCC[C@H]3O)C1 2012684229 VLMQRWBOFPLCCC-OAQYLSRUSA-N 322.452 3.377 10 10 DGCE Nc1ccc(OCCCN2CCC=C(Br)C2)cc1 404416511 RXMIJSNGCBTXAX-UHFFFAOYSA-N 311.223 3.022 10 10 DGCE Cn1ccc(NCc2cc(Cl)cc(Br)c2O)n1 708192881 RTGFQFQUKSUMPN-UHFFFAOYSA-N 316.586 3.154 10 10 DGCE Cc1ccc(O)c([C@@H](C)NCc2cc(Br)no2)c1 718881892 NBPYKYFNIHCZHE-SECBINFHSA-N 311.179 3.302 10 10 DGCE COC(=O)c1cc(C2CC2)nn1[C@@H](C)c1ccc(F)cc1O 2069961129 IVRZIVLWNGNDSJ-VIFPVBQESA-N 304.321 3.001 10 10 DGCE CCNCc1ccc(N(C)C[C@@H]2OCC[C@@H]2F)c(Cl)c1 2179098440 AGFKINWMORFRFF-ZFWWWQNUSA-N 300.805 3.013 10 10 DGCE CC[C@H](c1ccc(C)cc1O)n1nc(C(C)C)c(C=O)c1N 2078979757 SBLVFJKHBLSNFK-CQSZACIVSA-N 301.390 3.415 10 10 DGCE CC[C@@H](c1ccc(OC)cc1O)n1nc(C)c(CO)c1Cl 2079970228 PGMNPPDIHFEDMX-ZDUSSCGKSA-N 310.781 3.051 10 10 DGCE C[C@@H](N)c1ccc(N(C)Cc2ccno2)c(Br)c1 2082480442 ZRVGDGLKNVGJFV-SECBINFHSA-N 310.195 3.093 10 10 DGCE COc1ccc(N(CCCN)CC(C)=CBr)cc1 2219370177 ACOQYUGVXZJBTE-UHFFFAOYSA-N 313.239 3.149 10 10 DGCE CCCn1nc(Br)cc1C(=O)Cc1ccc(N)cc1 2224217520 LXLORJQNMMWAON-UHFFFAOYSA-N 322.206 3.063 10 10 DGCE CCc1cccc(CNc2cnncc2Br)c1O 2264158128 ZIJLCMSONABWCC-UHFFFAOYSA-N 308.179 3.119 10 10 DGCE Cc1c(C=CC(=O)N2C[C@H](C)Sc3ccccc32)cnn1C 2304260867 VCOYGDFBOKIPOC-LBPRGKRZSA-N 313.426 3.269 10 10 DGCE Cc1cccc(C=C2SC(=S)NC2=O)c1OC(F)F 2307550225 ZDQZCBBYJZTXAI-UHFFFAOYSA-N 301.339 3.085 10 10 DGCE Cc1ccc(N=Nc2c(CC(=O)O)nc3c(O)cccn23)cc1 2320774121 GAXCUDMRJNBSNA-UHFFFAOYSA-N 310.313 3.391 10 10 DGCE CC(C)(C)OC(=O)N1CCN(N=Nc2ccccc2F)CC1 2330173244 HTKMWBDSAORZDA-UHFFFAOYSA-N 308.357 3.377 10 10 DGCE Cc1ccc(CN(C)CCCCCN)c(O)c1Br 2327621574 OUDNCSWTFCHNAY-UHFFFAOYSA-N 315.255 3.024 10 10 DGCE CN[C@H](C)c1ccc(N2CCN(CC3CC3)CC2)c(Cl)c1 61696958 XWBCPDKYMGIENX-CYBMUJFWSA-N 307.869 3.152 10 10 DGCE CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1=COCCC1 68387512 BHMOILRPOKBRCS-UHFFFAOYSA-N 314.429 3.330 10 10 DGCE C[C@H](NCc1ccoc1)c1ccc(N2CCC(O)CC2)cc1 178474320 IUQAGHAKLDIRQE-AWEZNQCLSA-N 300.402 3.092 10 10 DGCE Cc1cc(C(=O)N(C)c2cnn(C)c2)c(C)n1-c1ccccc1 173011180 ZFNVFLOTSBDAHR-UHFFFAOYSA-N 308.385 3.104 10 10 DGCE FC(F)Oc1ccc2c(c1)CCCN2Cc1nc(C2CC2)n[nH]1 182493905 YCOVCTPSFUQSSU-UHFFFAOYSA-N 320.343 3.236 10 10 DGCE COc1ccc(C(=O)C(=O)c2ccccc2)c(Cl)c1OC 231256053 KEUBSDBNYXVLSN-UHFFFAOYSA-N 304.729 3.423 10 10 DGCE CN(C)c1ccc([C@@H](Cc2cccc(F)c2Cl)NN)cc1 97779399 YDFKPSLJLGQMCW-OAHLLOKOSA-N 307.800 3.292 10 10 DGCE COc1ccc(CN(C)CCCOc2ccccc2)c(O)c1 91899559 LPZIRNKEZFQNAG-UHFFFAOYSA-N 301.386 3.302 10 10 DGCE Cc1cnc(CNC(=S)Nc2ccc(N(C)C)cc2)c(C)c1 243087915 IUOWWWJJLRHTSR-UHFFFAOYSA-N 314.458 3.251 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCOCC1 374571807 KOLVIVLJVUCRBD-OAHLLOKOSA-N 305.418 3.338 10 10 DGCE CCN[C@H](c1ccccc1O)c1sc(N(C)C)nc1Cl 2164113114 JETISYCUONHOKW-LLVKDONJSA-N 311.838 3.267 10 10 DGCE CC[C@@H]1[C@H](CO)CCN1Cc1cc(OC)cc(C(C)(C)C)c1O 826043697 OQWIBBJQYDQVLY-SUMWQHHRSA-N 321.461 3.291 10 10 DGCE CC1CCN(c2ccc(CNC(=O)N[C@@H]3CC34CC4)cc2)CC1 823001701 OTUWXMQRNZWNJU-QGZVFWFLSA-N 313.445 3.275 10 10 DGCE CN(C)c1ccc(/C=C/CNc2cnn(CC(F)F)c2)cc1 835033821 XMXXTOBWQHBWET-ONEGZZNKSA-N 306.360 3.340 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1 835042962 ZCXGBPKWVQBQJA-KATHRDDVSA-N 312.457 3.313 10 10 DGCE Nc1ccc2c(c1)CN(Cc1cc(Cl)cc(F)c1O)CCO2 903945691 WQIXFFVZDZLIBV-UHFFFAOYSA-N 322.767 3.162 10 10 DGCE O=C(OCc1cc(F)cc2cccnc12)c1cc(O)cs1 732354968 YCDHISQEXWSKJH-UHFFFAOYSA-N 303.314 3.498 10 10 DGCE COc1ccc(O)c(CNC[C@@H]2CSc3ccccc3O2)c1 843418738 XQJRQRLNSLBTJW-CQSZACIVSA-N 317.410 3.044 10 10 DGCE Cc1ccc(C(=O)N2CCc3ccccc3[C@H](C)C2)c(O)c1O 846515173 BWWWDRUOJXLRPJ-CYBMUJFWSA-N 311.381 3.208 10 10 DGCE CC[C@H](NC[C@@H]1CCC2(CCOCC2)O1)c1ccc(F)cc1O 927015943 RTKVIWWDSMNCFA-HOCLYGCPSA-N 323.408 3.300 10 10 DGCE COc1ccc(N2CC[C@H](NCc3cccc(OC)c3)C2)cc1 850345484 BQCJFRCUAATEMB-INIZCTEOSA-N 312.413 3.072 10 10 DGCE CC[C@H](N[C@H]1C[C@@H](C)n2ncnc21)c1cc(Cl)ccc1O 850498790 DFVCRPKJNSUZPL-ICCXJUOJSA-N 306.797 3.384 10 10 DGCE Cc1cc(O)c(CNCc2nc3c(s2)COCC3)c(Cl)c1 922961690 SLEGVFQFGAHZQW-UHFFFAOYSA-N 324.833 3.173 10 10 DGCE CCc1nc(CN[C@H]2CCN(c3ccc(OC)cc3)C2)cs1 850345634 GSDHNGQNJACNPI-ZDUSSCGKSA-N 317.458 3.083 10 10 DGCE COc1ccc2c(c1)N(C(=O)/C=C/c1cnccc1C)CCC2 856076643 GWXGLXJFSASWBI-SOFGYWHQSA-N 308.381 3.391 10 10 DGCE O[C@@]1(CNCc2ccc(N3CCCCC3)cc2)C[C@H]2C=C[C@H]1C2 850373579 AIRATHAHWOVCNY-CMKODMSKSA-N 312.457 3.094 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@@H]2CCC[C@H]([S@@](C)=O)C2)cc1 850354955 DVZCHFPCOJCGSH-GLFXFFKBSA-N 320.502 3.045 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@]23CCC[C@H]2OCC3)cc1 864926920 PDSLWPAGABJMRC-MJGOQNOKSA-N 316.445 3.108 10 10 DGCE CN(Cc1cc(Cl)ccc1F)C(=O)c1cccc(O)c1O 765635738 RKOSLLJGAWQYBB-UHFFFAOYSA-N 309.724 3.163 10 10 DGCE CC[C@@H]1CN[C@@H](C)CN1c1ccc(OC)c(Br)c1 88330951 JOTCDHCLJQMBAV-WDEREUQCSA-N 313.239 3.034 10 10 DGCE CCCCN(C)Cc1ccc(N2CCC(C(=O)O)CC2)cc1 84857662 MFRBCERUVUMRQP-UHFFFAOYSA-N 304.434 3.220 10 10 DGCE CN[C@H](C)c1ccc(N(C)C[C@@H](C)OC)cc1Br 393990224 PYKKVHMPTDGANY-GHMZBOCLSA-N 315.255 3.201 10 10 DGCE CCN(CCSC)c1ccc(CN)c(Br)c1F 1917003899 ARQQPMQLVVDEAX-UHFFFAOYSA-N 321.259 3.236 10 10 DGCE C[C@@H](C(=O)NCc1c(O)cccc1F)c1ccc(F)c(F)c1 1178413450 RXYCMUNCPZQJDK-SECBINFHSA-N 309.287 3.229 10 10 DGCE CN(C[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32)c1ccc(CO)c(Br)c1 2134499477 CEMXZNMQVMCSMA-KFLCQZFPSA-N 322.246 3.280 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)Nc2cc(C3CC3)ccn2)cc1 1468615473 CQGORGOQMJJNOA-UHFFFAOYSA-N 309.329 3.374 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCC1=CCCC1 1470555087 AUGCYLZPKATSSX-OAHLLOKOSA-N 315.461 3.402 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc2c(o1)CCCC2 1623387216 UCLLCKBBKQHKFF-UHFFFAOYSA-N 312.413 3.497 10 10 DGCE CC[C@@H](NC(=O)NCc1ccccc1O)c1ccc(F)cc1 1564418047 KGQLFYNSUKGXQW-OAHLLOKOSA-N 302.349 3.482 10 10 DGCE COc1ccc(CNCC[C@H](C)NC(=O)[C@@H]2CC2(C)C)cc1C 1732686682 VFRICPZQXZMSJR-HOCLYGCPSA-N 318.461 3.034 10 10 DGCE CC(C)(C)OC(=O)NCC1([C@@H](N)c2ccccc2O)CCC1 1928481084 QXZUVBXZOBSKBQ-AWEZNQCLSA-N 306.406 3.087 10 10 DGCE CCOCCCN1C(=O)/C(=C\c2ccc(O)cc2)SC1=S 1858589783 JOPPDZWVUDTRJP-JLHYYAGUSA-N 323.439 3.020 10 10 DGCE Cc1cc(C)cc(/N=N/N2CCN(C(=O)c3ccco3)CC2)c1 1860484892 JFUMAROCSPPFDL-VHEBQXMUSA-N 312.373 3.353 10 10 DGCE COc1ccc(N2C[C@H]3CC[C@H]2c2sc(N)nc23)cc1OC 250450157 TWHQAQMJVCQODD-KOLCDFICSA-N 317.414 3.181 10 10 DGCE CC(C)[C@H](C(=O)Nc1ccc(N)cc1)N1C[C@H](C)C[C@@H](C)C1 251685376 APQRTJKGUNXZCV-CKEIUWERSA-N 303.450 3.210 10 10 DGCE COc1ccc(N(CCCN)Cc2ncsc2Cl)cc1 2143797961 WIAUZPXVVWNYHW-UHFFFAOYSA-N 311.838 3.161 10 10 DGCE Cc1ccc(O)c(CN[C@H]2C[C@H](C)N(Cc3ccccc3)C2)c1 151324685 BHNNHJQUKIIAGJ-LPHOPBHVSA-N 310.441 3.453 10 10 DGCE CC[C@]1(NCc2ccccc2O)CCN(C(=O)OC(C)(C)C)C1 1975561242 HSKVSQHYRSDXOT-SFHVURJKSA-N 320.433 3.271 10 10 DGCE C[C@H](CN(C)C(=O)OC(C)(C)C)[C@H](N)c1ccc(N(C)C)cc1 1977945200 MGQCTNMRUJWPEZ-CJNGLKHVSA-N 321.465 3.255 10 10 DGCE C[C@H]1CN(Cc2ccccc2)CCN1c1ccc2c(c1)CC[C@@H]2N 2012710604 WXZKZZQSEHHRTE-KKSFZXQISA-N 321.468 3.343 10 10 DGCE CSC[C@H]1CCN(c2ccc(CN)cc2Br)C1 706661274 YPUZBWLDQZTUHQ-NSHDSACASA-N 315.280 3.097 10 10 DGCE O=C(O)C1(NC2CC2)CCC(CSc2nccs2)CC1 2167753671 RHCGABRGSRYADY-UHFFFAOYSA-N 312.460 3.001 10 10 DGCE CCN1CCc2cc([C@@H](NN)c3ccsc3Cl)ccc21 2176407266 BVGATNWMXIMBJX-CQSZACIVSA-N 307.850 3.337 10 10 DGCE Cc1ccc(O)c(Cn2nc(C=O)c(Cl)c2C(F)(F)F)c1 2079228244 UKJNMQRNJFHQPZ-UHFFFAOYSA-N 318.682 3.430 10 10 DGCE CCc1nn(Cc2cc(Cl)ccc2O)c(N)c1C1(C)CC1 2079684030 HFTSUGSLKKRHKP-UHFFFAOYSA-N 305.809 3.487 10 10 DGCE Nc1ccc(CNC(=O)c2cc(N)c(Cl)c(Cl)c2)cc1 2191751370 HZMFOYNMEYHJHY-UHFFFAOYSA-N 310.184 3.088 10 10 DGCE C[C@H](NC[C@@]1(Br)CC1(F)F)c1cc(F)ccc1O 2082489076 KEDGXORDIZJVGI-CPCISQLKSA-N 324.140 3.355 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@]1(C)CCNCc1ccc(N)cc1 2210452270 VNDJYKNQHOUMBF-GOSISDBHSA-N 319.449 3.148 10 10 DGCE C[C@@H]1c2cccn2CCN1c1ccc(CN)c(Br)c1 2114543503 FLNRAUJFEVLSLY-LLVKDONJSA-N 320.234 3.291 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Cl)nc1Cl 2225794109 CORPYZBWYQOWSV-JGVFFNPUSA-N 300.149 3.350 10 10 DGCE CSc1ncc(Cn2c(S)nc3c2CCSC3)s1 2257097623 RRLRLEUQNNFTRB-UHFFFAOYSA-N 315.514 3.188 10 10 DGCE CSc1ncc(CNCc2nc(CC(C)C)ns2)s1 2269095509 NIRGKTDQQXZTOO-UHFFFAOYSA-N 314.505 3.205 10 10 DGCE C[C@@H](c1ccccc1O)N(C)Cc1ccsc1C(N)=S 2294680891 SBJLZHGIYUXXSH-JTQLQIEISA-N 306.456 3.281 10 10 DGCE O=C(C=Cc1cncc(F)c1)N1CCCc2c(F)ccc(F)c21 2299490804 WVAAWDWJQDNGLR-UHFFFAOYSA-N 318.298 3.492 10 10 DGCE CNC1C[C@@H]2CC[C@@H](C1)N2c1ccc(OC(F)(F)F)cc1 108033116 JDHLGZPPPIHECG-STQMWFEESA-N 300.324 3.304 10 10 DGCE CC[C@H]1CN(c2ccc([C@H](C)N)cc2Br)CCO1 103960701 FDBADKGHPBHIBJ-JQWIXIFHSA-N 313.239 3.084 10 10 DGCE CC(C)c1csc(NC(=O)NCCc2ccc(O)c(O)c2)n1 172043613 AJLDBZMQXIKAJH-UHFFFAOYSA-N 321.402 3.042 10 10 DGCE C[C@@H]1c2ccccc2O[C@@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 117747297 HRPRENCQDFEVNI-KUHUBIRLSA-N 324.424 3.276 10 10 DGCE CCCN(CCC(=O)NC1CCCCC1)Cc1ccccc1O 171668218 REINWXOPIANALQ-UHFFFAOYSA-N 318.461 3.443 10 10 DGCE CCN[C@H](C)c1ccc(N(C)CCOC)c(Br)c1 61696646 AMBLBZKZIPXNNW-LLVKDONJSA-N 315.255 3.202 10 10 DGCE COc1ccc(/N=N\c2c(C(=O)O)nc3c(O)cccn23)cc1 71602006 SFMCNJWDZNBKGG-ZCXUNETKSA-N 312.285 3.162 10 10 DGCE c1csc(SCCCNCc2ccc3c(c2)OCCO3)n1 124259025 VNFNSDPIRLSZOC-UHFFFAOYSA-N 322.455 3.186 10 10 DGCE Cn1ccnc1CC1CCN(Cc2cccc(Cl)c2O)CC1 180116260 DBDSKFDODHWYSN-UHFFFAOYSA-N 319.836 3.234 10 10 DGCE Nc1ccc(CCC(=O)[C@@H]2CCO[C@]3(CCSC3)C2)cc1 124651687 XYEQWPVNHGRIIH-RHSMWYFYSA-N 305.443 3.073 10 10 DGCE CC[C@@H]1CC[C@@H](C)N1c1cc2c(cc1Cl)[C@H](NC)C(=O)N2 136225163 NDHKBSPIPSIMEI-FCHSOHFDSA-N 307.825 3.320 10 10 DGCE [N-]=[N+]=NCCCN[C@@H](C(=O)O)c1ccc(Cl)cc1Cl 90258892 MDNSXDSFYAZEAC-SNVBAGLBSA-N 303.149 3.409 10 10 DGCE CCOc1ccc(O)c(CN(CCOC)Cc2ccc(C)o2)c1 93707273 CYTGHLYIYBPFHU-UHFFFAOYSA-N 319.401 3.341 10 10 DGCE Cc1cc(C(=O)N[C@@H]2C[C@@H]3OCCC[C@H]32)c(C)n1-c1ccccc1 249183188 NNXLVKMCTYDMIM-UHOSZYNNSA-N 324.424 3.391 10 10 DGCE COc1ccccc1[C@@H](O)CN[C@H](C)c1ccc(C)c(C)c1O 273390194 KJSRMBKYQAYDKU-PBHICJAKSA-N 315.413 3.402 10 10 DGCE Oc1cccc2c1[C@H](N[C@@H]1CCO[C@@H](c3cccnc3)C1)CC2 296247139 CUFVPPSNNNXLJO-JFIYKMOQSA-N 310.397 3.284 10 10 DGCE CN1CCCc2cc(CNC(=O)N[C@@H]3CCCC3(F)F)ccc21 806635043 NMIXXYAHIDJSBP-OAHLLOKOSA-N 323.387 3.056 10 10 DGCE Cc1ccc(O)c(CN2C[C@H](C)O[C@@H](CC(F)(F)F)C2)c1 827789905 YGIPTIKLOVYKJF-AAEUAGOBSA-N 303.324 3.242 10 10 DGCE CC1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(N=NC(N)=O)cc1 824717452 VPZKGBIIPQIMTQ-FTNCPSPGSA-N 300.362 3.252 10 10 DGCE CC(C)CN(Cc1ccc(N(C)C)c(F)c1)CC(C)(C)C(=O)O 901837526 CPCDQTPLFOPJAX-UHFFFAOYSA-N 324.440 3.461 10 10 DGCE CCOc1cccc(CN2CC(OC)(c3ccccc3)C2)c1O 839100359 VOLXRYPUGMWWBB-UHFFFAOYSA-N 313.397 3.148 10 10 DGCE CC(C)O[C@]1(CN[C@@H](C)c2cc(Cl)ccc2O)CCOC1 903357535 NAKYOWLKZLQSML-LRDDRELGSA-N 313.825 3.280 10 10 DGCE C[C@@H](Cc1ccsc1)N(C)C(=O)/C=C\c1ccc(O)c(O)c1 588406947 UIEYUFXCRTWGAV-RNZFLTOJSA-N 317.410 3.262 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@H](CO)C2CCCCC2)cc1 835041359 BRDXRYUOOBGVJV-LIXSYLKWSA-N 302.462 3.297 10 10 DGCE C[C@H]1CC(C)(C)C[C@](CO)(NCc2ccc3c(c2)CCO3)C1 740008156 XGJFJNXGIAHVOI-IFXJQAMLSA-N 303.446 3.288 10 10 DGCE C[C@@H](N[C@H]1C[C@@H](OC(C)(C)C)C1)c1cc([N+](=O)[O-])ccc1O 842920541 JCZSXNZVJRFTMB-WZRBSPASSA-N 308.378 3.297 10 10 DGCE COc1cnccc1[C@H](C)N[C@H](C)c1cccc(OC)c1O 846164103 MQAOFTAQKAMFFG-NWDGAFQWSA-N 302.374 3.216 10 10 DGCE Cc1cccc(N)c1N[C@@H]1C[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C 1894517513 VAPFMUPVXQITNC-NWANDNLSSA-N 317.433 3.387 10 10 DGCE COc1ccc(O)c([C@H](C)NC[C@@H]2Cc3ccccc3CO2)c1 858453402 KVPDUOHGMVGVPB-GUYCJALGSA-N 313.397 3.193 10 10 DGCE Cc1ccc(O)c([C@@H](C)NCc2nc(-c3ccccc3)n[nH]2)c1 756867101 FUTXGDBREDGEAU-CYBMUJFWSA-N 308.385 3.337 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)C3(C)CCCCC3)C2)cc1 855227994 SSRKXJRNFWITHO-OAHLLOKOSA-N 316.445 3.361 10 10 DGCE CCN(Cc1ccccc1)c1ccc(CNCC2COC2)cc1 858300657 KRTZTYSUDGPFFW-UHFFFAOYSA-N 310.441 3.449 10 10 DGCE CC[C@@H](N[C@H]1C(=O)N(C)Cc2ccccc21)c1ccc(C)cc1O 857876936 ISINWAFVICWKEJ-IEBWSBKVSA-N 324.424 3.455 10 10 DGCE CN(C)c1ccc(CN2CC[C@H](C(=O)OC(C)(C)C)C2)cc1F 769503361 HYUWTCADSOHVFH-AWEZNQCLSA-N 322.424 3.055 10 10 DGCE Oc1cccc2c1CN(C(=S)NCCCCC(F)(F)F)C2 865259114 ZIBAHEYVZZMVDD-UHFFFAOYSA-N 318.364 3.315 10 10 DGCE CCOc1ccc(O)c(CN2CCN(C3CCCCC3)CC2)c1 768240733 DHIYRJFZMASNGP-UHFFFAOYSA-N 318.461 3.241 10 10 DGCE CC(C)(C)Oc1ccc(C(=O)N2Cc3cccc(O)c3C2)nc1 871204995 OBMCQXMFQQPDSD-UHFFFAOYSA-N 312.369 3.121 10 10 DGCE Cc1ccccc1CC1CN(C(=O)c2ccc(C)c(O)c2O)C1 780966259 YKBDRXJWCSUDCD-UHFFFAOYSA-N 311.381 3.029 10 10 DGCE Cc1ccc(NC(=O)c2cc3cc(O)c(O)cc3s2)nc1 1136179272 CQNMYIWIYZJADR-UHFFFAOYSA-N 300.339 3.268 10 10 DGCE CCCCCNC[C@@H]1CCN(c2ccc(OC)c(OC)c2)C1 76378943 IWRQSVYREXGYCH-HNNXBMFYSA-N 306.450 3.310 10 10 DGCE CC(=O)c1cc(Cl)cc(CN(C)C[C@@H]2CCSC2)c1O 718313832 GOTNMNAUXLXMDW-NSHDSACASA-N 313.850 3.433 10 10 DGCE CCOC(=O)[C@@H]1CC[C@H](N[C@@H]2C[C@H](C)c3c(F)ccc(O)c32)C1 798002822 SZPQTQJSTRUDTJ-KZVDOYCCSA-N 321.392 3.401 10 10 DGCE Cc1cc(/C=C\C(=O)N2CCC(O)CC2)c(C)n1-c1ccccc1 1087795903 RQFNMDMSSVVCQC-HJWRWDBZSA-N 324.424 3.091 10 10 DGCE CCc1cccc(CNCc2cccc(Br)c2O)n1 2121954096 LFRLXHKEAOQQGN-UHFFFAOYSA-N 321.218 3.402 10 10 DGCE C/C(=C\C(=O)N(C)c1ccc(Cl)cc1F)c1cnccn1 1436074632 SRYAQMSRQKRAAZ-JXMROGBWSA-N 305.740 3.335 10 10 DGCE CC[C@@H]1CCOCCN1Cc1cccc(Br)c1O 1913697789 PQAPMDFHCMYDED-GFCCVEGCSA-N 314.223 3.156 10 10 DGCE Cc1ncccc1/C=C\C(=O)N1CCN(C)c2cc(F)ccc21 1531588479 CYDITAPSAUGEHS-YVMONPNESA-N 311.360 3.025 10 10 DGCE CCCC[C@H](O)CCC(=O)N(C)Cc1ccc(N(C)C)cc1 1539188474 QWPNXCBUYUMZIX-KRWDZBQOSA-N 306.450 3.042 10 10 DGCE c1ccc2c(c1)CCN(CCNCc1ccc3c(c1)CCCO3)C2 1473921936 DZIUOHAQKWANAU-UHFFFAOYSA-N 322.452 3.160 10 10 DGCE CC(C)C1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CC1 1629351122 IDPXEXZQLRFASI-UHFFFAOYSA-N 305.399 3.479 10 10 DGCE CCN(CCNCc1ccc(OC)c(C)c1)C(=O)CC(C)(C)C 1715721068 VZBMGQOQDWUVSI-UHFFFAOYSA-N 320.477 3.378 10 10 DGCE CC(C)CCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 1627464607 OXRRMRDLUWHLRG-SFHVURJKSA-N 319.493 3.298 10 10 DGCE O=C(/C=C/C1CCOCC1)NCc1c(O)ccc2ccccc12 1639384475 LQSYKVKYSYCDIY-VMPITWQZSA-N 311.381 3.144 10 10 DGCE COc1ccc(N(C)CCN(C)C[C@H]2CCCC(C)(C)O2)cc1 1654114820 RLJDCDHOLDPGBB-GOSISDBHSA-N 320.477 3.411 10 10 DGCE C[C@H](CSc1ccccc1)C(=O)NCc1cccc(O)c1O 1593739546 PVUMHJAJKSIBDC-GFCCVEGCSA-N 317.410 3.142 10 10 DGCE C[C@@H](N)c1ccc2c(c1)CCN2CCCOCC(F)(F)F 162093143 LDNANACHZQRFLK-LLVKDONJSA-N 302.340 3.038 10 10 DGCE CCN(C)c1ccc([C@@H](C)NC[C@@H](C)Cn2ccnc2)cc1 163049428 NLQJHWHQOYIDOW-HZPDHXFCSA-N 300.450 3.326 10 10 DGCE CCCC1=NN(C)C(=O)/C1=C/c1ccc(Cl)c([N+](=O)[O-])c1 1865677060 ULIHLUTUOHUQTA-JXMROGBWSA-N 307.737 3.260 10 10 DGCE Nc1ccc(CN2CCC[C@@H](NC(=O)Nc3ccccc3)C2)cc1 586063007 SCLKJNQEWICWJP-GOSISDBHSA-N 324.428 3.055 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@H]1COC[C@@H]1C1CC1 914433245 MKPJQNZZJUSCJD-YPMHNXCESA-N 302.201 3.214 10 10 DGCE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2ccc(N)cc2)C1 1977969805 FRUGCXJIGALXCX-UONOGXRCSA-N 319.449 3.398 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]2CCC[C@H]2N1CCCN=[N+]=[N-] 1982246815 ZPECTXWCEOOFBM-MELADBBJSA-N 323.441 3.455 10 10 DGCE CCN[C@H](c1ccccc1O)[C@@]1(NC(=O)OC(C)(C)C)C[C@H]1C 1984173722 PGGQAOYJIYWQJW-CDHAZOANSA-N 320.433 3.346 10 10 DGCE CC(C)(C)OC(=O)N[C@H](CC1CCC1)[C@@H](N)c1ccccc1O 1986007143 QNOOKRVIAIULPE-ZBFHGGJFSA-N 320.433 3.476 10 10 DGCE C[C@@H]1CN(c2ccc(CN)cc2C(F)(F)F)C[C@@H](C)S1 163722568 NBZYVBUISYWJKS-NXEZZACHSA-N 304.381 3.494 10 10 DGCE CN1CCc2cc([C@H](O)[C@H]3CCN(Cc4ccccc4)C3)ccc21 2015152686 HQFSAAQDTWXKDR-FPOVZHCZSA-N 322.452 3.234 10 10 DGCE N[C@H](c1ccccc1O)[C@@H](O)c1cc(C(F)(F)F)cs1 2161214173 IQRVPMURSCLELF-NEPJUHHUSA-N 303.305 3.206 10 10 DGCE CC(C)[C@H]1COC[C@H]1NCc1cc(Cl)cc(Cl)c1O 699460579 YNJPGBVYPUFNRE-DGCLKSJQSA-N 304.217 3.460 10 10 DGCE COC(=O)c1cc(C2CCC2)nn1[C@H](C)c1c(O)cccc1F 2069973679 XQJGYVVUWXCKPQ-SNVBAGLBSA-N 318.348 3.391 10 10 DGCE COc1ccc(Cn2ncc(C3CCCCC3)c2O)c(O)c1 2070203986 VDXVQYDEVKIRLK-UHFFFAOYSA-N 302.374 3.399 10 10 DGCE NCc1cc(F)c(N2C[C@@H]3CC=CC[C@H]32)cc1Br 2057021894 JEEPQPIIZBNECK-TVQRCGJNSA-N 311.198 3.202 10 10 DGCE CO[C@@]1(CN(C)c2ccc([C@H](C)O)c(Cl)c2)CCSC1 2186186186 QATAOEXUSFMAHB-XHDPSFHLSA-N 315.866 3.352 10 10 DGCE CN(Cc1ccccc1O)Cc1nscc1Br 2208456407 RADMEFRWCGSZLY-UHFFFAOYSA-N 313.220 3.243 10 10 DGCE CCn1cc(Br)c(COc2ccc(N(C)C)cc2)n1 2229368466 HPJDPPWJOVGWMC-UHFFFAOYSA-N 324.222 3.311 10 10 DGCE CSc1ncc(CN=c2[nH]cc(C(C)(F)F)s2)s1 2257013582 LIVIJSKARXHFIF-UHFFFAOYSA-N 307.416 3.467 10 10 DGCE CC1=NN(c2ccccc2)C(=O)C1=C(C)NCc1ccccc1 2294769457 RFVWYNYWLBQSJH-UHFFFAOYSA-N 305.381 3.473 10 10 DGCE CC(C)N1C(=O)C(=Cc2ccc(N(C)C)cc2)SC1=S 2296664606 QNGQLFXXPOFBDK-UHFFFAOYSA-N 306.456 3.362 10 10 DGCE O=C1C(=Cc2ccc(F)cc2)SC(=S)N1Cc1ccon1 2300338845 JIRAHQAAVFSPMZ-UHFFFAOYSA-N 320.370 3.215 10 10 DGCE Cc1ccc(CNCCP(C)(C)=O)c(O)c1Br 2307477148 JKFRBOXQVYJBJB-UHFFFAOYSA-N 320.167 3.175 10 10 DGCE CCN(CCN=[N+]=[N-])Cc1c(Br)cnn1C(C)C 2319584535 VRXAGNRXNXIPSK-UHFFFAOYSA-N 315.219 3.359 10 10 DGCE Cc1ccc(CNC(=O)CC(C)(F)F)c(O)c1Br 2327585716 IGJLPHVEMSLNSX-UHFFFAOYSA-N 322.149 3.125 10 10 DGCE Cc1ccn(-c2ccccc2NC(=O)c2ccc(C)c(O)c2O)n1 179544620 LHPPUAOEYKYKQZ-UHFFFAOYSA-N 323.352 3.153 10 10 DGCE CC(C)CN(CC(C)C)C(=O)[C@@H](C)Cc1ccc(O)c(O)c1 170245407 GXPLNDKGUZDNKZ-AWEZNQCLSA-N 307.434 3.417 10 10 DGCE CC(C)(C)OC(=O)N1CCC(COc2ccc(N)cc2)CC1 113322753 BMNFZJLDYNQISI-UHFFFAOYSA-N 306.406 3.295 10 10 DGCE CN(C)c1ccc([C@@H]2NC(=O)c3ccc(Cl)cc3N2)cc1 73649651 YGHOJDBCMXHTHS-HNNXBMFYSA-N 301.777 3.260 10 10 DGCE C[C@@H](NC[C@H](CO)c1ccccc1)c1cc(Cl)ccc1O 185652092 PDDITKPBNFWYSS-TZMCWYRMSA-N 305.805 3.472 10 10 DGCE C[C@H](c1ccccc1O)N(C)C(=O)c1cc(N)ccc1Cl 40332835 HCUSQMABDCHUHG-SNVBAGLBSA-N 304.777 3.461 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NC(=O)c1csc(Br)c1 2213585128 KTAUICRUTZSHOU-JGVFFNPUSA-N 315.196 3.472 10 10 DGCE CSC[C@@H](C)N(C)c1cc(Br)c(CN)cc1F 383565770 BAGICJSJFGPTMY-MRVPVSSYSA-N 321.259 3.235 10 10 DGCE CSc1ncc(CN[C@]2(C(=O)O)CCC23CCCC3)s1 2374081563 LJIIKTSYORFGDL-AWEZNQCLSA-N 312.460 3.132 10 10 DGCE Cc1ccc([C@@H](C)NCc2cccnc2-n2ccnc2)c(O)c1C 273420056 RWIJFIJNOCXAEO-OAHLLOKOSA-N 322.412 3.441 10 10 DGCE CC(C)(C)c1ccc(NC(=O)c2cccc(O)c2O)c(O)c1 800646658 CJDFWECXIMEMCG-UHFFFAOYSA-N 301.342 3.353 10 10 DGCE Cc1cc(Cl)cc(CN2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c1O 825124150 IVXCEYURVVDXKL-NOZJJQNGSA-N 323.742 3.099 10 10 DGCE C[C@@H](NC(=O)Nc1cc(F)ccn1)c1ccc(N(C)C)cc1 824849247 DRGGUFMRIFRHBW-LLVKDONJSA-N 302.353 3.169 10 10 DGCE C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@@H](C)[C@@H]1O 827152053 PTTAZDSYLSVNCY-WOFXILAISA-N 304.217 3.148 10 10 DGCE Cc1cc(N(C)C)ccc1CN1CCO[C@@H](CC(F)(F)F)C1 827785950 FBJSXKUTXZDQFV-HNNXBMFYSA-N 316.367 3.214 10 10 DGCE CC(C)n1ncc2c1C[C@H](N[C@@H]1CCc3cccc(O)c31)CC2 834783938 PKBCQNAIHZEFOI-HZPDHXFCSA-N 311.429 3.304 10 10 DGCE CCn1ccnc1NCc1cc(C)cc(Br)c1O 840888058 WHZGAVUYQVVMJR-UHFFFAOYSA-N 310.195 3.292 10 10 DGCE Cc1cc(O)c(CNC[C@@H](CO)c2ccc(F)cc2)c(Cl)c1 840963204 MGVZKPAZPYXRBS-ZDUSSCGKSA-N 323.795 3.359 10 10 DGCE CC[C@H](C)CCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 852450673 RFXDPVWDQIWCCD-GJZGRUSLSA-N 319.449 3.009 10 10 DGCE CCCC[C@](C)(CO)NCc1cc(F)c(N(C)C)cc1F 858182391 RESLUSMDQNNBRS-MRXNPFEDSA-N 300.393 3.062 10 10 DGCE C[C@@H](NC[C@H]1c2ccccc2C(=O)N1C)c1ccc(N(C)C)cc1 858528896 HBUTUKKSTSTCOC-KUHUBIRLSA-N 323.440 3.230 10 10 DGCE COc1ccc(N2CC[C@H](N[C@@H](C3CCC3)C3CC3)C2)cc1 850485951 DKXLPXHQKIKRST-LPHOPBHVSA-N 300.446 3.442 10 10 DGCE O=C(O)[C@H]1CCN[C@@H]1c1c(O)c(Cl)cc(Cl)c1Cl 1952795595 SIAIECCVMZPLPY-IGJIYHIXSA-N 310.564 3.088 10 10 DGCE CC(=O)c1cc(F)cc(CN2CC[C@H](O)c3ccccc32)c1O 934080271 ZIFZLKFDKSAEMS-KRWDZBQOSA-N 315.344 3.178 10 10 DGCE C[C@H](N[C@H](C)c1cc(Br)ccc1O)c1ccnn1C 866612651 AVLDQCVCPIHVNM-ZJUUUORDSA-N 324.222 3.300 10 10 DGCE COC(=O)N1CCC[C@H]([C@H](C)N[C@H](C)c2cc(F)ccc2O)C1 775578612 IXALSBHGPSJRMA-XQQFMLRXSA-N 324.396 3.049 10 10 DGCE C[S@](=O)(=NC(=O)/C=C\c1ccc(O)c(O)c1)C1CCCCC1 1119632014 KLEWCCRWZIDQBB-XGEAVTJYSA-N 323.414 3.068 10 10 DGCE CC(C)n1ccc(CC(=O)NCc2c(O)ccc3ccccc23)n1 1635968517 CXVMLCFPTPTBDH-UHFFFAOYSA-N 323.396 3.182 10 10 DGCE CCO[C@H](C(=O)NCc1ccc(N(C)C)cc1C)C1CCCC1 1435117697 GSFGDKYJPUJBAD-SFHVURJKSA-N 318.461 3.273 10 10 DGCE C[C@H](NCC=CCNC(=O)OC(C)(C)C)c1ccc(F)cc1O 1911706474 ZZHVEQKMGFEFSJ-LBPRGKRZSA-N 324.396 3.263 10 10 DGCE Cc1ncc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)s1 1523554734 YSGMPHXMRUVHPD-UHFFFAOYSA-N 315.442 3.324 10 10 DGCE CC[C@@H](CCO)NC(=O)c1cc(C)ccc1-n1c(C)ccc1C 1295003641 DQBKLDIZBVFAKC-INIZCTEOSA-N 314.429 3.293 10 10 DGCE COC[C@H]1CC[C@H](NCc2ccc(Br)cc2O)C1 1918599517 GEPRVADSWAPVPV-GWCFXTLKSA-N 314.223 3.059 10 10 DGCE Cc1nc(-c2cccnc2)nc(N2Cc3cccc(O)c3C2)c1C 1472860315 ZDVVUVUMBIKPKW-UHFFFAOYSA-N 318.380 3.381 10 10 DGCE O=C(NCc1c(O)cccc1F)N[C@H]1CCc2c(F)cccc21 1479350185 XUZLHSGUHZSDFH-HNNXBMFYSA-N 318.323 3.157 10 10 DGCE CCc1ccc(CNC(=O)c2ccc(N=NC(N)=O)cc2)s1 1624498708 GLGYUGUXNDYCBD-UHFFFAOYSA-N 316.386 3.403 10 10 DGCE C[C@H](NC(=O)c1scnc1C(F)(F)F)c1ccccc1O 1635803775 JHMYFHUPIJOLJD-ZETCQYMHSA-N 316.304 3.359 10 10 DGCE Cc1ccc(F)c(C(=O)NCc2ccc3cccnc3c2O)c1 1638573450 YDCJNSONOXEEGL-UHFFFAOYSA-N 310.328 3.318 10 10 DGCE CN(Cc1ccccc1O)C(=O)NCc1ccc2occc2c1 1649424004 MBSHWINYQUDHTL-UHFFFAOYSA-N 310.353 3.480 10 10 DGCE O=C(C[C@H]1CCCC[C@@H]1O)NCc1c(O)ccc2ccccc12 1645440768 NFUDOHHDDOLGNX-PBHICJAKSA-N 313.397 3.103 10 10 DGCE C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)c1ccccc1O 1643742048 MCJDMFZQZJNXSE-SECBINFHSA-N 320.732 3.445 10 10 DGCE Cc1ccc(CCNC(=O)c2ccc(N=NC(N)=O)cc2)cc1 1586119079 PMZOSWZZURWYIL-UHFFFAOYSA-N 310.357 3.130 10 10 DGCE C[C@H]1C[C@@H](Nc2ccc(N)cc2)CCN1C(=O)OC(C)(C)C 1959373653 LKLJISOEGOZOLN-WFASDCNBSA-N 305.422 3.469 10 10 DGCE CCOC(=O)c1cnc(Sc2ncc3sccn23)s1 2139868613 TYLPCWOPWKOYBR-UHFFFAOYSA-N 311.413 3.180 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@]2(CCN(CCCN=[N+]=[N-])C2)C1 1962302228 YOCMDMUIVFGXFW-OAHLLOKOSA-N 309.414 3.020 10 10 DGCE CC(C)(C)OC(=O)NCc1ccccc1Nc1ccc(N)cn1 1977695272 SYEVRMZQEKGSQZ-UHFFFAOYSA-N 314.389 3.432 10 10 DGCE COc1ccc(N(Cc2ccccc2)[C@@H](C)C(C)(C)O)c(N)c1 1980733045 JQDRUWBOTSPZGD-AWEZNQCLSA-N 314.429 3.443 10 10 DGCE CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H](CN1CCCN=[N+]=[N-])C2 1993149289 DUMOEMZIJMKLRM-CJNGLKHVSA-N 323.441 3.456 10 10 DGCE CN(C)c1ccc([C@@H](N)c2ncc(Br)s2)cc1 1999527240 KUOFZITYIUOGCX-LLVKDONJSA-N 312.236 3.020 10 10 DGCE COCCNCc1ccc(N2CC[C@](C)(F)C2)c(Cl)c1 2152316717 CUDYYDRMKUCGIV-HNNXBMFYSA-N 300.805 3.014 10 10 DGCE CC[C@H]1CCOC[C@@H]1NCc1ccc(Br)cc1O 2035116459 AYRUCJQMAFRBIC-GWCFXTLKSA-N 314.223 3.059 10 10 DGCE Oc1cccc(Br)c1CN[C@H]1C[C@H]2C[C@H]1C[C@H]2F 2039900159 QBDXKVMMTVVVGX-DTVLGXAZSA-N 314.198 3.381 10 10 DGCE CCCN[C@@]1(C(=O)O)CCC[C@@H](CSc2nccs2)C1 404035283 HMCIITOXYYJTQU-RISCZKNCSA-N 314.476 3.248 10 10 DGCE CC(C)NCc1ccc(N2CC[C@H](F)C2)cc1Br 689832083 VNUUYBMSETZOJV-LBPRGKRZSA-N 315.230 3.495 10 10 DGCE C[C@H]1COCCCN1c1ccc([C@@H](C)N)cc1Br 398890562 MOUAZKFPIVTAPM-WDEREUQCSA-N 313.239 3.084 10 10 DGCE Cc1ccc([C@H](C)n2nccc2C(=O)OC(C)(C)C)c(O)c1 2069971231 DHFHDWIJRUCQNY-LBPRGKRZSA-N 302.374 3.462 10 10 DGCE COc1ccc([C@H](C)n2ncc(C)c2Br)c(O)c1 2070301489 HBXNPDLGKXGBJR-VIFPVBQESA-N 311.179 3.278 10 10 DGCE CCc1nn(Cc2cccc(C)c2O)c(C(F)F)c1C(=O)OC 2078893471 PBJDXXSNSIERIA-UHFFFAOYSA-N 324.327 3.232 10 10 DGCE CN[C@@H](C)c1ccc(N(CC(F)F)C2COC2)c(Cl)c1 2196634605 XCSIMMUOQIYHFM-VIFPVBQESA-N 304.768 3.091 10 10 DGCE CN1CCc2cc([C@@H](N)c3coc(Br)c3)ccc21 2044748552 STUMEOKHUONACZ-CQSZACIVSA-N 307.191 3.083 10 10 DGCE CO[C@@H](CN(C)Cc1cc(Br)ccc1O)C(C)C 2068249252 LUAOUOWRXJEDSW-AWEZNQCLSA-N 316.239 3.258 10 10 DGCE CCN1CCc2cc(N(CCCO)Cc3ccccc3)ccc21 2210799935 DHSQYKHXTDVJGS-UHFFFAOYSA-N 310.441 3.458 10 10 DGCE COc1ccc(Br)c(CNCC[C@H]2C[C@@H]2C)c1O 2220462760 QMERBUVZYFRIPF-UWVGGRQHSA-N 314.223 3.299 10 10 DGCE NCc1ccc(N2C[C@@H]3C[C@H](C(F)(F)F)[C@@H]3C2)cc1Cl 2281181791 KKTZYDMIUBWBJX-WCQGTBRESA-N 304.743 3.433 10 10 DGCE CC(C)(C)[C@H]1C[C@@H](S(=O)(=O)Nc2ccc(O)cc2F)C1 2240482481 OBGXEZFRRJXYSD-JGZJWPJOSA-N 301.383 3.098 10 10 DGCE CN[C@H](CN(C(=O)OC(C)(C)C)C1CCC1)c1ccccc1O 2244949592 TWUZKUQMSWMVGA-OAHLLOKOSA-N 320.433 3.442 10 10 DGCE CN1C(=O)C(=Cc2cccc(Br)c2)SC1=S 2294737391 OIUVCFWWHREQQF-UHFFFAOYSA-N 314.229 3.280 10 10 DGCE CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1ccc(O)cc1C 100148507 NLNKMKLVCXVDQX-LFIBNONCSA-N 307.353 3.419 10 10 DGCE CN(C)c1ccc(CN(CCCN)c2ccccc2F)cc1 20237178 UUIMPURMIDWBAZ-UHFFFAOYSA-N 301.409 3.247 10 10 DGCE CCCCOCCN[C@@H](C)c1ccc(N2CCC(O)CC2)cc1 119568731 AVEOVCHZYNSUTO-INIZCTEOSA-N 320.477 3.115 10 10 DGCE CN(Cc1ccccc1O)C(=O)c1cc(C2CCCCC2)n[nH]1 129613579 FNOSLOFUDCHPIT-UHFFFAOYSA-N 313.401 3.435 10 10 DGCE CCCOc1ccc(CN[C@H](C)c2ccncc2OC)c(O)c1 189566033 QIOZITQSQKAREK-CYBMUJFWSA-N 316.401 3.435 10 10 DGCE COC(=O)c1ccc(Cl)cc1NCc1ccc(O)cc1O 36952396 XWXGEHPVTSZSDX-UHFFFAOYSA-N 307.733 3.150 10 10 DGCE O=C(Nc1ccc(O)cc1C(=O)O)c1cc(Cl)ccc1F 48847002 OHJQRKXFYFBGJR-UHFFFAOYSA-N 309.680 3.135 10 10 DGCE COc1ccc(O)c(CN[C@H](c2ncc[nH]2)c2cccs2)c1 195070872 HMEHXUZXDUQLFA-HNNXBMFYSA-N 315.398 3.065 10 10 DGCE CO[C@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)CC[C@@H]1C 190193682 WCZJDPAZHYLSRG-LRDDRELGSA-N 307.434 3.252 10 10 DGCE Cc1csc([C@H]2COCCN2Cc2cc(Cl)ccc2O)n1 190412607 VCSSTHCQKSANHX-CYBMUJFWSA-N 324.833 3.384 10 10 DGCE CO[C@H]1CCCN(c2ccc([C@@H](C)N)cc2Br)C1 230262300 BNZJRDZBEHPPNM-PWSUYJOCSA-N 313.239 3.084 10 10 DGCE C/C=C/c1ccc(OCC(=O)Nc2ccc(N)cc2)c(OC)c1 237096936 RWDCXENWPYLYSC-ONEGZZNKSA-N 312.369 3.328 10 10 DGCE C[C@H](N[C@H](C)[C@@H]1CCCCO1)c1ccc(N2CCOCC2)cc1 271949587 ZRGHJLGDYJKPFL-FCEWJHQRSA-N 318.461 3.131 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@]1(C)C[C@H]2CC[C@H]1O2 276770436 GWPDDOZMPCCKAP-LMMKCTJWSA-N 316.445 3.059 10 10 DGCE c1cc(N2CCCC2)ccc1CNCc1ccc2c(c1)OCO2 378931929 YWCVWTJYRSNACW-UHFFFAOYSA-N 310.397 3.305 10 10 DGCE CCOc1ccc(O)c(CN2CC[C@@H](Cc3ccncc3)C2)c1 370718259 BCJJZTLQKBVVPD-INIZCTEOSA-N 312.413 3.251 10 10 DGCE CN(CC(F)F)c1ccc(/C=C\C(=O)O)cc1Br 384808053 HPTVXECJTNUZOL-HYXAFXHYSA-N 320.133 3.248 10 10 DGCE CN1CCCc2cc([C@H](NN)c3csc(Cl)c3)ccc21 2163108621 YBIPNSSMZIPKTJ-HNNXBMFYSA-N 307.850 3.337 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@@H]1C1CCCC1 588403937 KWOWRFDFHDNWRK-WKTRQSJXSA-N 301.386 3.292 10 10 DGCE CC[C@@H](CN[C@H](C)c1cccc(OC)c1O)C(=O)OC(C)(C)C 903352245 CCVJWUASWAGISG-OLZOCXBDSA-N 323.433 3.419 10 10 DGCE CCc1ccc(NC(=S)NCc2nccc(OC)c2F)cc1 849296485 HALFRLDIJHVMNY-UHFFFAOYSA-N 319.405 3.278 10 10 DGCE CCC1(CC)CN(Cc2ccc(N(C)C)cc2C)CC[S@]1=O 840938791 RIOXTZGYQJWTQU-JOCHJYFZSA-N 322.518 3.184 10 10 DGCE CCOc1cccc(CN[C@@H](C2CC2)[C@H]2CCCCO2)c1O 848560702 QEBKDESEMIYJFF-WBVHZDCISA-N 305.418 3.228 10 10 DGCE C[C@@H]1COC[C@H](C)[C@H]1NCc1ccc(N2CCSCC2)cc1 924706296 GIMCRTMDAVCKKD-HWWDLCQESA-N 320.502 3.000 10 10 DGCE CCN(CC)c1ccc(CNCc2cn(C)nc2Cl)cc1F 856768749 BDKKLMWPJRCHRX-UHFFFAOYSA-N 324.831 3.349 10 10 DGCE CC(=O)c1cc(F)cc(CN2CCC[C@H]2C(F)(F)F)c1O 859628780 KXVADIMIVWZZIX-LBPRGKRZSA-N 305.271 3.261 10 10 DGCE CN(C)c1cc(F)c(CNCc2ccc(Cl)cn2)cc1F 858155847 PXXVNMROYQRPIQ-UHFFFAOYSA-N 311.763 3.369 10 10 DGCE Cc1ccc([C@@H](C)NCc2nc(-c3ccccc3)n[nH]2)c(O)c1 756866811 DPLVLNDTXZOGPT-CYBMUJFWSA-N 308.385 3.337 10 10 DGCE C[C@H]1C[C@H](CCNC(=O)N[C@@H](C)c2ccccc2O)C[C@@H](C)O1 868585482 FPFWLLYUBNVGLT-XGUBFFRZSA-N 320.433 3.346 10 10 DGCE COc1ccc(N(C)Cc2nc(C(C)C)ns2)c(OC)c1 930077233 PAAWXBCKAORRRM-UHFFFAOYSA-N 307.419 3.315 10 10 DGCE O=[N+]([O-])c1ccc(O)c(CN[C@@H]2CC=CC[C@H]2C(F)(F)F)c1 865832414 PPEZBYMXPIYXGE-VXGBXAGGSA-N 316.279 3.287 10 10 DGCE COc1ccc(N(C[C@@H]2CC3(CC3)C(=O)O2)[C@@H](C)C2CC2)cc1 763730424 RXCWKAKGLNVZKM-GUYCJALGSA-N 315.413 3.396 10 10 DGCE CC(=O)c1cc(F)cc(CNC(C)(C)[C@H]2CCCCO2)c1O 879410650 YSCVMBYBQZRZTA-OAHLLOKOSA-N 309.381 3.171 10 10 DGCE C[C@@H](N[C@H]1CCCN(C)C1)c1cc(Cl)c(Cl)cc1O 774137142 VUIONIRYMVFXOT-ZJUUUORDSA-N 303.233 3.444 10 10 DGCE CCC1(CC)CN(C2CCNCC2)c2ccc(OC)cc2N1 76931031 DNKOOZFXHNNDTF-UHFFFAOYSA-N 303.450 3.238 10 10 DGCE Nc1ccc(NC(=O)Nc2cnn(Cc3ccccc3)c2)cc1 390048005 MTZZUBHJABDPNA-UHFFFAOYSA-N 307.357 3.158 10 10 DGCE CC[C@@H]1CCN1Cc1c(O)ccc(C(=O)c2ccccc2)c1O 793823989 QXGOICCFOBHSTH-CQSZACIVSA-N 311.381 3.313 10 10 DGCE Cc1ccc(O)c(CNC(=O)N[C@@H]2CCCc3ccccc3C2)c1 1313365012 AYIPGABHWAKAGR-GOSISDBHSA-N 324.424 3.447 10 10 DGCE CC(C)OC(=O)C[C@H](NCc1ccc(N(C)C)cc1)C(C)C 1171608469 QINRHIGGFSWDIX-KRWDZBQOSA-N 306.450 3.209 10 10 DGCE CCC[C@@H](C)C(=O)N[C@H](C)CNCc1ccc(OC)c(C)c1 1268638958 AVYODEHRALWTSF-UKRRQHHQSA-N 306.450 3.034 10 10 DGCE COc1ccc(N(C)CCN(C)C[C@@H](CC(C)C)OC)cc1 1195789298 LJCNLPKCBVTNMC-GOSISDBHSA-N 308.466 3.124 10 10 DGCE C/C(=C\c1cccnc1)C(=O)N1CCN(C)c2ccc(F)cc21 1354709431 OMYJWAPUFGWIRF-JLHYYAGUSA-N 311.360 3.107 10 10 DGCE C/C(=C/C(=O)N1CCCc2c(F)cc(F)cc21)c1cnccn1 1350185498 NCLMLIOOEPBJMR-XFFZJAGNSA-N 315.323 3.138 10 10 DGCE Nc1ccc(CCNC(=O)c2nc(Cl)sc2Cl)cc1 1906829349 BNRIHCDMUSNYEO-UHFFFAOYSA-N 316.213 3.005 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)[C@]1(O)CCCC(C)(C)C1 1465028539 GSCQJRYHISWVOK-IBGZPJMESA-N 318.461 3.009 10 10 DGCE CCCC(=O)N(C)CC(C)(C)CNCc1ccc(OC)c(C)c1 1700439444 VVNRPXFLCCJNHT-UHFFFAOYSA-N 320.477 3.378 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)c1coc2cc(O)ccc12 1585786021 ALUDGINEMOMAAR-UHFFFAOYSA-N 324.380 3.443 10 10 DGCE CCCN(CC)c1nnc(C)n1Cc1ccc(N(C)C)c(F)c1 1745591933 BPAXDNCGPOLAQH-UHFFFAOYSA-N 319.428 3.076 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H](Nc2ccccc2N)CC1 1959374864 YFYAWWUWCRPHEI-ZDUSSCGKSA-N 305.422 3.470 10 10 DGCE NN1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S 16904988 JBMTWGOYDIAHPN-YWEYNIOJSA-N 305.211 3.068 10 10 DGCE OCCC[C@H]1CCCN1c1ccc(CNC2CC2)cc1Cl 164050545 FHKLQCBXFTVVJV-OAHLLOKOSA-N 308.853 3.333 10 10 DGCE CN(CCN=[N+]=[N-])[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 1962299768 OPUVEIKWWUMBLQ-QWHCGFSZSA-N 311.430 3.312 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@]1(O)C[C@H]2CC[C@H]1C2 2145238080 AZGIKHLXZRWTSM-CCUNJIBTSA-N 316.228 3.340 10 10 DGCE CN(c1ccc(CO)cc1Br)C1CC(CF)C1 2006403293 IOSZIHMSEDYCQV-UHFFFAOYSA-N 302.187 3.126 10 10 DGCE C[C@@]1(C(F)F)C[C@H]1NCc1cc(Br)ccc1O 2008230473 OEVWOBVQWMFPTD-ZYHUDNBSSA-N 306.150 3.288 10 10 DGCE CC[C@@H](c1cc(Br)ccc1O)N1CC[C@@](C)(N)C1 405861659 IVAGGZKQRWZOJZ-GXTWGEPZSA-N 313.239 3.029 10 10 DGCE O=[N+]([O-])c1ccccc1Sc1ncc(CNC2CC2)s1 2155328355 JENHRDDPQZQEIT-UHFFFAOYSA-N 307.400 3.455 10 10 DGCE CSCCCN(C)c1c(F)cc(CNC2CC2)cc1F 312780327 NYXNNCZJFAWXBK-UHFFFAOYSA-N 300.418 3.406 10 10 DGCE CCNCc1ccc(N(C)CCCF)cc1Br 716813317 ZBVOFTJVGWAFJX-UHFFFAOYSA-N 303.219 3.354 10 10 DGCE COC(=O)c1cc(C2CC2)nn1[C@@H](C)c1cc(C)ccc1O 2069961544 PXYGAAZRELZSSR-NSHDSACASA-N 300.358 3.170 10 10 DGCE Cc1cc(O)c([C@@H](C2CCC2)n2nc(C)c(N)c2N)cc1C 2079937201 VDEXNFNVYAWCRO-MRXNPFEDSA-N 300.406 3.068 10 10 DGCE C[C@@H](O)c1cc(F)c(N(C)C[C@H](F)C(F)(F)F)c(F)c1 2194513455 AYADULPCTLWKIW-LDWIPMOCSA-N 301.230 3.355 10 10 DGCE CNCc1ccc(N2CCC[C@@H]2[C@@H](C)F)c(Br)c1 2060891648 WHRFHOGQYHOKQS-ZWNOBZJWSA-N 315.230 3.495 10 10 DGCE C[C@H](c1ccccc1O)N(C)c1cncc(Br)n1 2072453825 VKNVIAKOHBKBFM-SECBINFHSA-N 308.179 3.142 10 10 DGCE CNCc1ccc(N(C)C2C[C@@H]3C[C@H]3C2)cc1Br 2222763865 VGZVSBASLRWSHH-RYUDHWBXSA-N 309.251 3.403 10 10 DGCE C[C@H](N)c1ccc(N(C)C[C@@H](F)[C@@H]2CCOC2)cc1Cl 2238325101 XQKHKJVFVBRYGV-FIXISWKDSA-N 300.805 3.171 10 10 DGCE Cc1cc(N2CC(N(C)Cc3ccccc3)C2)ccc1[C@H](C)N 2243972850 ABUGEWOMRDUBQC-INIZCTEOSA-N 309.457 3.335 10 10 DGCE CSc1ncc(CN2C[C@@H]3CCCN3C[C@@H]2C(C)C)s1 2284675608 BTCABXGKDHEYQU-GXTWGEPZSA-N 311.520 3.170 10 10 DGCE C[C@@H](Cc1ccsc1)N(C)C(=O)C=Cc1ccc(O)c(O)c1 2308001844 UIEYUFXCRTWGAV-LBPRGKRZSA-N 317.410 3.262 10 10 DGCE O=C(C=Cc1cnc2ccccn12)N1CCCc2ccccc21 2329348108 UXNJGDWJBVNCRS-UHFFFAOYSA-N 303.365 3.327 10 10 DGCE Cc1ccc(CN2CC[C@H]3C[C@]3(F)C2)c(O)c1Br 2327603270 OUKXXNQVFCGTOT-FZMZJTMJSA-N 314.198 3.397 10 10 DGCE Cc1c([C@H](NCCN=[N+]=[N-])C(=O)O)ccc(Cl)c1Cl 2340469374 MATDGHTUWUOMQK-JTQLQIEISA-N 303.149 3.327 10 10 DGCE COc1cccc(C(=O)Nc2cccc(N3CCCC3)c2)c1O 78956938 AJHYIKVAKFWLPZ-UHFFFAOYSA-N 312.369 3.253 10 10 DGCE COc1ccc(O)c(CN[C@H](C)c2ccc(F)c(F)c2O)c1 187784082 MGRFMRLUOLBVRT-SECBINFHSA-N 309.312 3.235 10 10 DGCE CC(C)(C)Oc1ccccc1CNC(=O)Cc1ccc(N)cc1 71700115 ZNRREROSMACWCS-UHFFFAOYSA-N 312.413 3.305 10 10 DGCE CC(C)N(Cc1cccs1)c1ccc2c(c1)NC(=O)[C@@H]2N 49029570 HMKDEBSAZXCBAD-OAHLLOKOSA-N 301.415 3.115 10 10 DGCE COc1cc(OC)c(N2C[C@@H](C(C)C)NC[C@@H]2C)cc1Cl 86155302 YTAMYCBTVSESNW-AAEUAGOBSA-N 312.841 3.180 10 10 DGCE CC[C@H](NC1CC(OC)C1)c1cc(Br)ccc1O 229578429 HBDRIIQTLLBZAZ-XIVSLSHWSA-N 314.223 3.373 10 10 DGCE CC(C)(C)c1csc(COC(=O)Cc2ccc(N)cc2)n1 94975370 NBHYMDUQGUOQAN-UHFFFAOYSA-N 304.415 3.309 10 10 DGCE CCNCc1ccc(N(CC)CCOC)cc1Br 233514741 NFHBBWIUDFRMST-UHFFFAOYSA-N 315.255 3.031 10 10 DGCE CCCN[C@@](CO)(CSc1nccs1)C1CC2(CC2)C1 2371053563 DCVPTGVTFYMMEN-HNNXBMFYSA-N 312.504 3.156 10 10 DGCE CCN(CC)c1ccc(CNC(=O)c2cnc(C3CC3)nc2)cc1 294533471 RDUXHLRFKILRAX-UHFFFAOYSA-N 324.428 3.130 10 10 DGCE CN(CCCF)c1ccc(/C=C\C(=O)O)c(Br)c1 714793348 XPCALCWDSOTPOH-XQRVVYSFSA-N 316.170 3.343 10 10 DGCE CCN(CC)c1ccc(CNC(=O)N[C@H]2C[C@@H]3C[C@@H]3C2)cc1 822718101 ZOBVSEAMOPUGOJ-MUJYYYPQSA-N 301.434 3.131 10 10 DGCE CCN(CC)c1ccc(CN[C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)cc1 902754425 CDNPKUSQBMBILG-CENDIDJXSA-N 314.473 3.436 10 10 DGCE COC[C@@](C)(O)CCN[C@@H](C)c1cc(Cl)c(Cl)cc1O 834844724 UFVFYHIFYCECMF-XPTSAGLGSA-N 322.232 3.137 10 10 DGCE C[C@@H](CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccnc1 734424986 NBUUNMOALINCBB-HNNXBMFYSA-N 311.429 3.300 10 10 DGCE c1ccc2c(c1)O[C@@H](CNCc1ccc3c(c1)CCO3)CS2 842726587 JYUZRTQWGZRLSQ-HNNXBMFYSA-N 313.422 3.264 10 10 DGCE COc1ccccc1[C@H](O)CN[C@H](C)c1ccc(Cl)cc1O 841746258 XBWPRYYRKREOSU-BDJLRTHQSA-N 321.804 3.438 10 10 DGCE CC[C@@H](NC[C@H]1CN(C2CC2)C(=O)O1)c1cc(Cl)ccc1O 848570166 KEMYMZLLECJMNL-GXTWGEPZSA-N 324.808 3.070 10 10 DGCE COc1ccc(C[C@@H](C)C(=O)NCc2c(O)cccc2F)cc1 928704810 DJQHZMLFIOCILK-GFCCVEGCSA-N 317.360 3.035 10 10 DGCE C[C@@H](NCC[C@@H](N(C)C)C(F)(F)F)c1ccc(F)cc1O 926966476 ZXYQHCJTUFVALL-NOZJJQNGSA-N 308.319 3.065 10 10 DGCE Cc1cc(CC(=O)NC(CF)CF)c(C)n1-c1ccccc1 854687726 HXOLECLKZYWOND-UHFFFAOYSA-N 306.356 3.060 10 10 DGCE COCc1ccc(NCc2cccc(OC)c2O)cc1OC 858309534 DLCPKEBGSCQFEQ-UHFFFAOYSA-N 303.358 3.168 10 10 DGCE C[C@@H](NCc1cnc(C(F)(F)F)nc1)c1ccc(F)cc1O 850486009 QIFYIUQCUGINCJ-MRVPVSSYSA-N 315.270 3.191 10 10 DGCE COC[C@H](CC(C)(C)C)N[C@H]1CCN(c2ccc(OC)cc2)C1 850485642 AIFVCLFJHVQLAZ-HOTGVXAUSA-N 320.477 3.315 10 10 DGCE c1cc2c(cc1CN[C@H](C1CCC1)[C@H]1CCOC1)CCCO2 922315161 WAJDETWWZRRMTQ-PKOBYXMFSA-N 301.430 3.306 10 10 DGCE COc1c(C)cccc1CNC(=O)NCc1cc(C)ccc1O 858590972 IIBRAXBDPFRCTH-UHFFFAOYSA-N 314.385 3.017 10 10 DGCE CC(C)[C@H]1COCC[C@@H]1NCCCSc1nccs1 925101489 IGJYQFABIXKLKF-OLZOCXBDSA-N 300.493 3.276 10 10 DGCE O=C(NCc1cc(Br)ccc1O)[C@@H]1CCC[C@@H]2C[C@@H]21 854442933 ZJCJFIOQJKLGJK-WQAKAFBOSA-N 324.218 3.207 10 10 DGCE CCc1ccc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc1 855234778 MGMKSAKRXGYUJM-KRWDZBQOSA-N 324.424 3.266 10 10 DGCE COc1ccc(N2CC[C@H](NCc3ccccc3F)C2)cc1 850345556 DUOFQGHBFPXQMW-HNNXBMFYSA-N 300.377 3.203 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1C[C@H]2CNc1ccc(N)cc1 1897993952 DTAJKQRWULIZFY-MAZHCROVSA-N 317.433 3.326 10 10 DGCE C[C@H](N[C@@H]1C[C@H](C)n2ncnc21)c1cc2c(cc1O)CCCC2 850499606 SPWWDTMQZUGBQJ-MQIPJXDCSA-N 312.417 3.219 10 10 DGCE Oc1cc2c(cc1CN1CCC[C@H]3COCC[C@@H]31)CCCC2 768462617 ANSFZJFHZJOIAK-WMZOPIPTSA-N 301.430 3.272 10 10 DGCE Cc1ccc(C(=O)CCCC(=O)NCc2ccccc2O)cc1 768285899 ITUPFXZYMPXXMN-UHFFFAOYSA-N 311.381 3.370 10 10 DGCE O=C(N[C@@H]1CCCc2ccccc21)N1Cc2cccc(O)c2C1 874984287 DTFCIACNCMXLPG-QGZVFWFLSA-N 308.381 3.495 10 10 DGCE Cc1cc(Br)c(O)c(CNc2nnc(C3CC3)o2)c1 781560247 VPJATMLUBVLESX-UHFFFAOYSA-N 324.178 3.336 10 10 DGCE C[C@H]1CCC[C@@H](C)N1NCc1c(O)cccc1Br 706863821 OONXJJRROABVHB-PHIMTYICSA-N 313.239 3.422 10 10 DGCE Brc1cc(N2CC[C@H]3C[C@H]32)ccc1CNC1CC1 707088306 MKNXLEAPMZNZOY-ZUZCIYMTSA-N 307.235 3.300 10 10 DGCE C[C@H]1CN(c2ccc(CN)c(C(F)(F)F)c2)C[C@H](C)S1 70381621 BLIYONUQJXKUGC-UWVGGRQHSA-N 304.381 3.494 10 10 DGCE C[C@@H](Sc1ncccc1Cl)C(=O)Nc1ccc(N)cc1 79425902 DUHOVKZMFQWZKK-SECBINFHSA-N 307.806 3.437 10 10 DGCE Cc1nnc(N2CC[C@H](C)C2)n1CCCSc1nccs1 1304817070 ITBOQPWLDGBKAD-NSHDSACASA-N 323.491 3.072 10 10 DGCE [N-]=[N+]=NC[C@H]1CCN(C(=O)c2ccnc(Cl)c2Cl)C1 2120741514 BSSFKUULBVJIEP-SSDOTTSWSA-N 300.149 3.161 10 10 DGCE COc1ccc(CCNC/C=C\c2ccc(N(C)C)cc2)cn1 1328788978 JNKDIDHJTAZNIY-PLNGDYQASA-N 311.429 3.002 10 10 DGCE Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCCOC1CCOCC1 1340134615 WWSAYRJYFZXSAD-ZFWWWQNUSA-N 305.418 3.034 10 10 DGCE CC(C)(C)OC(=O)N1CCN(c2ccc(N)cc2)[C@@H]2CCC[C@H]21 1902321929 SLQCRFQANFLXNL-HZPDHXFCSA-N 317.433 3.247 10 10 DGCE c1ccc(CN2CCC[C@@H](NCc3ccc4c(c3)CCO4)C2)cc1 108206638 HCZVMEQTCGCXDS-HXUWFJFHSA-N 322.452 3.376 10 10 DGCE NCc1ccc(N(Cc2ccccc2)[C@@H](CO)C2CC2)cc1F 1915186357 KOOHMUNMHGBFAQ-IBGZPJMESA-N 314.404 3.062 10 10 DGCE Cc1nc(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)[nH]c1C 1294516304 WBSYSZRLAXLPOR-UHFFFAOYSA-N 322.412 3.364 10 10 DGCE Cc1cc(C)c(NN=NCCCN2CCOCC2)c(Cl)c1 1860489670 XZCJONXYSMNNTJ-UHFFFAOYSA-N 310.829 3.458 10 10 DGCE C[C@@H]1CCC[C@H](CNC(=O)N2Cc3cccc(O)c3C2)[C@@H]1C 1470000929 KGAVTVSBHWPLGQ-MGPQQGTHSA-N 302.418 3.490 10 10 DGCE CCC(C)(C)CC(=O)N[C@H](C)CNCc1ccc(OC)c(C)c1 1715931559 XLMNGMVGJAZPLT-OAHLLOKOSA-N 320.477 3.424 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N[C@H](c2ccncc2)C2CC2)cc1 1640204154 QGTXICQYGHPYMO-HNNXBMFYSA-N 323.356 3.125 10 10 DGCE C[C@@H](NC(=O)Cc1ccccc1OC(F)F)c1ccccc1O 1642824361 RRMKOFQMLCELAY-LLVKDONJSA-N 321.323 3.414 10 10 DGCE Cc1c(C(=O)NCc2c(O)cccc2O)oc2c(F)cccc12 1645360724 GJYSFMKDIXSIBW-UHFFFAOYSA-N 315.300 3.222 10 10 DGCE Cc1ccc(CN[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)c(O)c1 1659952186 LAZMITWHJACKPF-VQIMIIECSA-N 310.441 3.453 10 10 DGCE O=C(NCc1cccc(Cl)c1O)NC[C@H]1C[C@H]2C=C[C@H]1CC2 1683284352 TYCPVTIRRQYKDA-SGMGOOAPSA-N 320.820 3.447 10 10 DGCE CCNCc1ccc(N2CCC(CN(C)C)CC2)c(Cl)c1 164003554 XRVJQWYUODKJJK-UHFFFAOYSA-N 309.885 3.228 10 10 DGCE Cc1cccc(CNC2CC(CNC(=O)OC(C)(C)C)C2)c1O 1936011827 BYRPPJHXNZRFBP-UHFFFAOYSA-N 320.433 3.094 10 10 DGCE CCC1(F)CN(c2ccc(CNC)cc2Br)C1 1944794041 CUSMTDLFKBZDDD-UHFFFAOYSA-N 301.203 3.107 10 10 DGCE OCc1ccc(N2CC[C@@H](CCF)C2)cc1Br 2001380249 KQJHCZYJZRQTGR-SNVBAGLBSA-N 302.187 3.127 10 10 DGCE CN[C@H](c1ccccc1O)[C@H]1C=CCN(C(=O)OC(C)(C)C)C1 1976513163 MMBISOWQESSKPK-BBRMVZONSA-N 318.417 3.076 10 10 DGCE CN(C)c1ccc([C@H](O)[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)cc1 1977958539 NCKYQYIULDUPRI-LZWOXQAQSA-N 320.433 3.089 10 10 DGCE COc1nsc([C@@](C)(N)c2ccc(N(C)C)cc2)c1Cl 2154681530 JENKXNOEFNAVQW-AWEZNQCLSA-N 311.838 3.093 10 10 DGCE C[C@]1(CNCc2cc(Br)ccc2O)CCCCO1 2028308328 YCLPIPDTVYUNEF-CQSZACIVSA-N 314.223 3.204 10 10 DGCE CCOC[C@H]1CCCN1Cc1ccc(Br)cc1O 696590070 LKGVQJWWVKNGEV-CYBMUJFWSA-N 314.223 3.156 10 10 DGCE C[C@H](NCc1cc(Br)no1)c1cc(F)ccc1O 718886262 LCKBZSNWJBYKIS-ZETCQYMHSA-N 315.142 3.133 10 10 DGCE Cc1ccc([C@@H](C)n2nccc2C(=O)OC(C)(C)C)c(O)c1 2069971230 DHFHDWIJRUCQNY-GFCCVEGCSA-N 302.374 3.462 10 10 DGCE C[C@@H](O)C[C@H]1CCCCN1c1cc(Cl)c(CN)cc1F 2177385904 SNYBPRULLYOIIC-ZYHUDNBSSA-N 300.805 3.068 10 10 DGCE C[C@H](O)c1ccc(N2CC3CC(F)(C3)C2)c(Br)c1 2045346115 PYUFMYUKTRLMAX-IPWFMCSPSA-N 314.198 3.441 10 10 DGCE CC[C@@H](COC)N(C)c1ccc([C@@H](C)N)c(Br)c1 2047308849 OEBBSMVQVALNOE-MNOVXSKESA-N 315.255 3.330 10 10 DGCE CCNCc1ccc(N2CCC[C@H]2CF)cc1Br 2051770212 PPPACRJGXUGODX-ZDUSSCGKSA-N 315.230 3.497 10 10 DGCE CCO[C@H](CNCc1c(O)cccc1Br)C(C)C 2068093947 OCQRLHVYBLRLNG-CQSZACIVSA-N 316.239 3.305 10 10 DGCE CC(C)c1nc(C(=O)Cc2ccc(N)cc2)c(Br)[nH]1 2087653918 ALAWIFFSNHLUJC-UHFFFAOYSA-N 322.206 3.303 10 10 DGCE C[C@H]1[C@H](N)[C@H](C)CCN1Cc1cc(Cl)cc(Cl)c1O 2095701196 DONMAGRSSRVNSM-VYUIOLGVSA-N 303.233 3.257 10 10 DGCE CCC[C@H]1CN=C(NCc2cnc(SC)s2)SC1 2257025678 GVUZPTPRGOHGIH-VIFPVBQESA-N 301.506 3.474 10 10 DGCE CSc1ncc(CN=c2cc[nH]c3ccc(N)cc23)s1 2284699884 QBVCDDYZMYXRMG-UHFFFAOYSA-N 302.428 3.029 10 10 DGCE CCc1nsc(CN(C)c2ccc([C@H](C)O)c(Cl)c2)n1 2288830180 YJRFIGHDEIIAFY-VIFPVBQESA-N 311.838 3.444 10 10 DGCE Cc1ccc(CNCCOC(C)(C)C)c(O)c1Br 2327622782 AHNVATPRBXAQNH-UHFFFAOYSA-N 316.239 3.368 10 10 DGCE Cc1nccc(N(C)Cc2ccc(C)c(Br)c2O)n1 2352946037 FFTQYSXPNGFAFF-UHFFFAOYSA-N 322.206 3.198 10 10 DGCE CCCCN(CCO)c1ccc([C@H](C)N)cc1Br 61697010 VFYJTFPTWRMFMK-NSHDSACASA-N 315.255 3.068 10 10 DGCE Cc1cccc(NC[C@@H]2CCN(Cc3cccc(C)c3O)C2)n1 179989089 JCCFNPVXTBMNBP-INIZCTEOSA-N 311.429 3.338 10 10 DGCE CCC1(CC)CN(C[C@@H](C)C(N)=S)c2ccc(OC)cc2N1 75280911 WYFKAAOJDNKIQA-GFCCVEGCSA-N 321.490 3.408 10 10 DGCE CCCN1CCC(CN[C@@H](C)c2cc(OC)ccc2O)CC1 185351167 RNCWXGNKVYLXBY-AWEZNQCLSA-N 306.450 3.173 10 10 DGCE CCN[C@H](C)c1ccc(N2CCOC[C@H](F)C2)c(Cl)c1 2361809306 VGZLUUMLBDOOQL-DGCLKSJQSA-N 300.805 3.185 10 10 DGCE Cc1ccc(CN(C)c2ccc(CN)c(Br)c2)o1 228147756 ASGLVJCDHDXRND-UHFFFAOYSA-N 309.207 3.446 10 10 DGCE CC[C@]1(C)CN(c2cc(Cl)c(OC)cc2OC)[C@@H](C)CN1 225651385 WOXPIQXGIGXQMF-MEDUHNTESA-N 312.841 3.324 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)Nc1nccs1 42753594 KHTWBLUSTNPUHL-UHFFFAOYSA-N 304.419 3.263 10 10 DGCE O=C1NC(=S)SC1=Cc1c(F)cccc1Br 2312456506 SNFNVGMTIBDNMH-UHFFFAOYSA-N 318.192 3.077 10 10 DGCE Nc1ccc(OCCNc2csc(C(F)(F)F)n2)cc1 2162489824 MZUYNNLROZYWPN-UHFFFAOYSA-N 303.309 3.235 10 10 DGCE CCN[C@H](c1ccc2c(c1)CCN2C)[C@@H]1CSCCS1 2163080065 RPLDENSNSHZSKI-JKSUJKDBSA-N 308.516 3.178 10 10 DGCE C[C@@H](N)c1ccc(N(C)Cc2cnn(C)c2Cl)cc1Cl 2166115706 VJVMAQOQNVDGQR-SECBINFHSA-N 313.232 3.383 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1ccccc1Cl 808094272 IFUIDNIAOIDAJX-UHFFFAOYSA-N 324.804 3.390 10 10 DGCE COc1cc(Cl)cc(CNC[C@H](C)c2ccccn2)c1O 826802343 DTRRNQISELEFFX-NSHDSACASA-N 306.793 3.343 10 10 DGCE O=C(NCc1cc(Cl)cc(Cl)c1O)NC1C[C@H]2C[C@@H]2C1 824850365 ZFIYAHDCXAGWNS-HTQZYQBOSA-N 315.200 3.297 10 10 DGCE CNC(=O)Cc1ccc(NC/C=C\c2ccc(N(C)C)cc2)cc1 835028771 KSLCOSYZTVKJIZ-PLNGDYQASA-N 323.440 3.166 10 10 DGCE CCOc1cccc(CN[C@@H](C2CC2)[C@@H]2CCCCO2)c1O 848560701 QEBKDESEMIYJFF-RDJZCZTQSA-N 305.418 3.228 10 10 DGCE CN(Cc1ccccc1O)C(=O)C1(C(F)(F)F)CCCC1 841404196 NEAVDXQWBQFEAM-UHFFFAOYSA-N 301.308 3.473 10 10 DGCE Cc1cc(O)c(CNc2ccc(OCCN)cc2)c(Cl)c1 841053776 BOEGPOHMXTVMPX-UHFFFAOYSA-N 306.793 3.304 10 10 DGCE C[C@@H]1CCCN(c2ccc(CNC(=N)NC3CC3)cc2Cl)C1 848986906 KSKKVQGBXXUMLC-GFCCVEGCSA-N 320.868 3.353 10 10 DGCE Cc1cc(O)c(CNCCc2cnc(C3CC3)nc2)c(Cl)c1 840906943 LABRXZUCDBMWAD-UHFFFAOYSA-N 317.820 3.354 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2C[C@@H]3CC[C@H](C2)O3)c1 744634006 BLNJRQIEYMXZBL-CALCHBBNSA-N 324.424 3.406 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)c2oc(C3CC3)nc2C)c1 759959527 UKLCASVBWVJBQX-SECBINFHSA-N 316.357 3.066 10 10 DGCE CCOc1ccc(O)c(CN[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]32)c1 850409122 LFTSOCIZPJGALB-YTQUADARSA-N 313.372 3.358 10 10 DGCE C[C@@H](Cc1ccoc1)NCc1cc(Br)ccc1O 754048835 YMUAADRSFMPPRV-JTQLQIEISA-N 310.191 3.469 10 10 DGCE CC(C)CCO[C@@H](C)C(=O)NCc1ccc2cccnc2c1O 862028102 PRQGJPAQAABGBA-ZDUSSCGKSA-N 316.401 3.008 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)NCC[C@@H]2CCOC2)cc1 784590469 RYFILVQHRGGLJH-MRXNPFEDSA-N 312.413 3.251 10 10 DGCE COCCN(Cc1cc(C)cc(C(C)(C)C)c1O)[C@H]1CCOC1 782959408 BWQXPXYMLLSGGA-INIZCTEOSA-N 321.461 3.235 10 10 DGCE COc1cc(Br)cc(CNc2cccc(O)c2)c1O 76276042 SKCJIXKWMAIHRD-UHFFFAOYSA-N 324.174 3.481 10 10 DGCE COc1cc(C)cc(CN[C@H](C(C)C)C2(CO)CC=CC2)c1O 895088461 ZIGCFOBMXKTPBU-GOSISDBHSA-N 319.445 3.152 10 10 DGCE C[C@@H](NCC1CC(NC(=O)OC(C)(C)C)C1)c1ccccc1O 715081293 OKWIASASWIMLBA-IYXRBSQSSA-N 320.433 3.346 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)c2cc(Cl)ncc2F)c1 1294938179 XHUYSNRTCWTODL-MRVPVSSYSA-N 324.739 3.079 10 10 DGCE CCC(C)(C)OCC(=O)N(C)Cc1ccc(N2CCCC2)cc1 1531694756 UHMHFZNZLDHUJR-UHFFFAOYSA-N 318.461 3.450 10 10 DGCE C[C@@H]1CCO[C@@H]1CCNCc1cccc(Br)c1O 1918112916 OJJNOIOYUSTXJF-ZWNOBZJWSA-N 314.223 3.059 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(O)ccc1C 1625794010 AXSMQHRQVFYAFI-UHFFFAOYSA-N 312.413 3.429 10 10 DGCE COC(=O)[C@@H](NCc1ccc(N(C)C)c(C)c1)C1CCCCC1 1559731700 UCNMTOBSVKEHGI-SFHVURJKSA-N 318.461 3.273 10 10 DGCE CN(C)c1ccc(CNC(=O)C(C)(C)c2cccc(O)c2)cc1 1623316475 VLEFJTRLQFJJMT-UHFFFAOYSA-N 312.413 3.052 10 10 DGCE CSc1cccc(F)c1C(=O)NCc1cc(C)ccc1O 1633283297 YDCFWHJTEILYDS-UHFFFAOYSA-N 305.374 3.492 10 10 DGCE CC(=O)c1cc(F)cc(CN2CCO[C@@H](C(C)(C)C)CC2)c1O 1560235384 JBQMJPSGLPJIAY-MRXNPFEDSA-N 323.408 3.371 10 10 DGCE Cc1cc(C)nc(CNCc2ccc(Br)cc2O)c1 2137006341 OJCQURCJHQDTOX-UHFFFAOYSA-N 321.218 3.456 10 10 DGCE Cc1cc(CN2C[C@]34CCCC[C@]3(COC4)C2)ccc1N(C)C 1655187163 MZDHDZOSXMEFGH-BGYRXZFFSA-N 314.473 3.454 10 10 DGCE CN[C@H](c1ccccc1O)C(C)(C)N(C)C(=O)OC(C)(C)C 1928470525 FGKNKIMHUSGZQY-CQSZACIVSA-N 308.422 3.298 10 10 DGCE CN[C@@H](c1ccccc1O)[C@@H](C)CCNC(=O)OC(C)(C)C 1928464256 DBZFXQBIRBOUAU-SWLSCSKDSA-N 308.422 3.204 10 10 DGCE CC/C(C)=C/C(=O)N(C)C[C@H](C)NCc1ccc(OC)c(C)c1 1774115485 JNEBJICUDHSLGO-DKGMDFAASA-N 318.461 3.296 10 10 DGCE CSCCCN1C(=O)/C(=C\c2cccnc2)SC1=S 12551278 ZYVJSWXEUHKZIF-DHZHZOJOSA-N 310.469 3.036 10 10 DGCE CC(C)OC(=O)c1cccc(/N=N/N2CCC(C(=O)O)CC2)c1 1860487086 TWJBMDAZAQZOKR-ISLYRVAYSA-N 319.361 3.047 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C[C@H](N)c1ccccc1O 1936979094 AHGQQASPCWJNAL-AEGPPILISA-N 320.433 3.476 10 10 DGCE C[C@@H](c1ccccc1O)N(C)c1ncc(Br)cc1N 1877517823 NKDICMCIZBEZNM-VIFPVBQESA-N 322.206 3.329 10 10 DGCE C[C@H]1CN(CCCN=[N+]=[N-])C[C@@H](C)CN1C(=O)OC(C)(C)C 1962305688 URKDHRQCFPPILZ-OLZOCXBDSA-N 311.430 3.264 10 10 DGCE C[C@H](N)c1ccc(N2CC[C@@](C)(F)C2)c(Br)c1 1946949934 ZVYONUMPHXZEAX-TVQRCGJNSA-N 301.203 3.407 10 10 DGCE CN(C)c1ccc([C@@]2(N)CCCN(Cc3ccccc3)C2)cc1 1977959588 SHZUEAGATJCFQF-HXUWFJFHSA-N 309.457 3.203 10 10 DGCE C[C@H](NC[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C)c1cc(F)ccc1O 1978009155 OTYUOXGFWZZVHQ-MJVIPROJSA-N 324.396 3.095 10 10 DGCE C[C@H](N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1)C(C)(C)O 1991655602 XZAAHEUMWQRJPH-ZDUSSCGKSA-N 322.449 3.307 10 10 DGCE NCc1cc(F)c(N2CC=C(Br)CC2)cc1Cl 2008204086 BKQULJPSCUIPGN-UHFFFAOYSA-N 319.605 3.427 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@@H]3[C@H](CCN3Cc3ccccc3)C2)cc1 2015069534 UTKMLISZMYCNEH-OZOXKJRCSA-N 322.452 3.451 10 10 DGCE CS[C@H]1C[C@@H](CNCc2cccc(Br)c2O)C1 2016152566 XAHPDJBYYNWQBL-JGZJWPJOSA-N 316.264 3.386 10 10 DGCE C[C@@H](c1cc(Br)ccc1O)N1C[C@@]2(C)C[C@H]1CO2 2028069314 KICBAESPTYGDRP-NURSFMCSSA-N 312.207 3.079 10 10 DGCE COc1cc(Cl)cc(CNC[C@@H]2C[C@@H]2C(F)(F)F)c1O 2159784143 FLMIDGFJELGCSW-XVKPBYJWSA-N 309.715 3.342 10 10 DGCE CSCC1CN(c2c(F)cc(CNC(C)C)cc2F)C1 2161162219 OWOQLSRUERPXIC-UHFFFAOYSA-N 300.418 3.262 10 10 DGCE COC[C@H]1CCCN1c1ccc([C@H](C)O)cc1Br 696592832 FNCOFKGGSSDGGR-CMPLNLGQSA-N 314.223 3.118 10 10 DGCE CC[C@H](N=c1ccn(CC)[nH]1)c1cc(Br)ccc1O 388815397 RUZFXICETQAOFZ-LBPRGKRZSA-N 324.222 3.356 10 10 DGCE COc1ccc(Br)c(CN2CCC[C@H](F)C2)c1O 1231553018 OWHNKZAUUYSLSP-VIFPVBQESA-N 318.186 3.097 10 10 DGCE Cc1ccc([C@@H](C(C)C)n2nc(C(C)C)c(CO)c2N)c(O)c1 2078982384 UDFAJLNEYJBHOW-QGZVFWFLSA-N 317.433 3.340 10 10 DGCE CCNCc1ccc(N2C[C@@H]3C(C(F)F)[C@H]3C2)cc1Cl 2192283512 ULWQWLNDFIBPDD-RYUDHWBXSA-N 300.780 3.397 10 10 DGCE C[C@H](N)c1ccc(N2CC[C@H](c3nncs3)C2)cc1Cl 2196550236 ZUJMTRVUIZPMQA-UWVGGRQHSA-N 308.838 3.205 10 10 DGCE Nc1ccc(COc2cc(Cl)nc(C(F)(F)F)n2)cc1 2184658746 CIDIZZBIDNMIBF-UHFFFAOYSA-N 303.671 3.310 10 10 DGCE CC[C@@]1(C)C[C@@H](NCc2cc(Br)ccc2O)CO1 2069118307 RLBQBAXYMVKGNF-OCCSQVGLSA-N 314.223 3.202 10 10 DGCE CCN(CC)c1ccc(C2(N)CCC3(CC2)OCCO3)cc1 2106847921 BBOUOWKBOSUPAM-UHFFFAOYSA-N 304.434 3.004 10 10 DGCE CC[C@H]1C[C@H]1NCc1c(Br)ccc(OC)c1O 2214870173 ZAIVLHFXINKWLT-GZMMTYOYSA-N 300.196 3.051 10 10 DGCE CC(C)[C@@H]1CCCN(C(=O)C=Cc2ccc(O)c(O)c2)CC1 2308001207 JLFMGQYSXCUCJM-OAHLLOKOSA-N 303.402 3.396 10 10 DGCE Cc1ccc(CN(C)[C@H](C)C(C)(C)N)c(O)c1Br 2327797537 YGOCRHKBVHXTHD-SNVBAGLBSA-N 315.255 3.021 10 10 DGCE COC[C@@H](C)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 103432545 ICDHIWOLXYPPKB-OAHLLOKOSA-N 318.461 3.354 10 10 DGCE C[C@H](NC(C1CC1)C1CC1)c1ccc(N2CCOCC2)cc1 177776992 BDRWEZOJXKXJQO-AWEZNQCLSA-N 300.446 3.362 10 10 DGCE COc1ccc(O)c([C@@H](C)NC[C@@H](O)c2cc(F)ccc2F)c1 305780125 SPDOINAQXPFQRX-BMLIUANNSA-N 323.339 3.063 10 10 DGCE Cc1ccc2ncnc(N[C@@H](C)Cc3ccc(O)c(O)c3)c2c1 183599269 WDADHGQLPCGSRU-LBPRGKRZSA-N 309.369 3.393 10 10 DGCE Cc1cc(C(=O)NCCc2ccccn2)c(C)n1-c1ccccc1 41295995 PQSYHKYATIHFSS-UHFFFAOYSA-N 319.408 3.462 10 10 DGCE O=C(c1cscc1Cl)N1CCc2cc(O)c(O)cc2C1 2366910248 QDSCORMGHOVUNZ-UHFFFAOYSA-N 309.774 3.011 10 10 DGCE COc1ccc(CNC2CC2)cc1CO[C@H](C)C(F)(F)F 90672619 YBTMRXLTRRWXRY-SNVBAGLBSA-N 303.324 3.415 10 10 DGCE Cc1cc(C)c(O)c(CN2CCc3nc(C(C)C)ncc3C2)c1 527613783 SHUATLZLMIWSOF-UHFFFAOYSA-N 311.429 3.481 10 10 DGCE CCc1ccc(C(=O)CCC(=O)NCc2ccccc2O)cc1 299598508 VFGGLOUXOVDJML-UHFFFAOYSA-N 311.381 3.234 10 10 DGCE CCCN(CCC)c1ccc(CN2CC[C@@]3(O)C[C@H]3C2)cc1 827284284 UGJYFKUZNSLBOU-PKOBYXMFSA-N 302.462 3.270 10 10 DGCE Oc1ccc(Cl)cc1[C@H]1CC(c2ccc3c(c2)OCO3)=NN1 821166392 QOTCPQJCHAJTJW-CYBMUJFWSA-N 316.744 3.213 10 10 DGCE CC(C)[C@@H]1C[C@H](CN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)CCO1 834884769 CTJZAVHGVWJUFT-AHIWAGSCSA-N 322.405 3.402 10 10 DGCE Cc1cc(O)c(CN(C)[C@H]2CCN(C3CC3)C2)cc1C(C)C 732188268 HFUDYBXTPUPVFF-KRWDZBQOSA-N 302.462 3.493 10 10 DGCE CC[C@@]1(CO)CCCN(C/C=C\c2ccc(N(C)C)cc2)C1 835045569 IXHWKPSZITXDHY-SUOMESGTSA-N 302.462 3.250 10 10 DGCE CN(C)c1ccc(/C=C\CNc2ccc3c(c2)C(=O)NCC3)cc1 835045013 RCBFSGIFZBUGPJ-ARJAWSKDSA-N 321.424 3.164 10 10 DGCE Cc1cc(O)c(CNC[C@@H](CO)Cc2ccccc2)c(Cl)c1 840884718 PYKJLIOGJXJNRP-HNNXBMFYSA-N 319.832 3.295 10 10 DGCE CCOc1ccc(O)c(CNC[C@H]2CCC3(CCCC3)O2)c1 848576996 ZXHYKKOCXPCKFU-MRXNPFEDSA-N 305.418 3.372 10 10 DGCE C[C@H](CNCc1cc(Cl)cc([N+](=O)[O-])c1O)c1ccccn1 850341304 GHEQLZDBMWMOJB-SNVBAGLBSA-N 321.764 3.242 10 10 DGCE Cc1cc(O)c([C@H]2C[C@@H](N)CCN2C(=O)OC(C)(C)C)cc1C 1952972100 GPXZBAKCIFPOAR-DZGCQCFKSA-N 320.433 3.408 10 10 DGCE Cc1cnc(CN2CCCc3cc(OC(F)F)ccc32)nc1 760850899 IFYWTKVPSSWHET-UHFFFAOYSA-N 305.328 3.339 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)C[C@@H](C)c1ccco1 935944985 GTTIFVVTUCASKP-GFCCVEGCSA-N 308.374 3.281 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)CC[C@H]1CCCCN1C 764610763 MUUJNNAHMQMSIR-QGZVFWFLSA-N 318.461 3.395 10 10 DGCE CC1(C)CNCC[C@@H](NCc2ccc(N3CCCC3)cc2)C1 872251242 ISEKJOOIPHQTIF-QGZVFWFLSA-N 301.478 3.155 10 10 DGCE COC(=O)CN(Cc1cc(Cl)ccc1O)CC1(C)CCC1 774881304 RIWWBFNJWOVDIH-UHFFFAOYSA-N 311.809 3.211 10 10 DGCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCC3(C)C)CC2)cc1 771866392 BZZZHHYZZRELBP-KRWDZBQOSA-N 316.445 3.170 10 10 DGCE COC(=O)c1cc(CNCc2cc(C)ccc2O)[nH]c1C(C)C 895393314 ZYDLWCYHDXCCCN-UHFFFAOYSA-N 316.401 3.229 10 10 DGCE COCCN(Cc1c(O)cccc1Br)C(C)C 707166516 QUBCYWODLDICIJ-UHFFFAOYSA-N 302.212 3.012 10 10 DGCE CC1CCC(C)(CNC(=O)/C=C\c2ccc(O)c(O)c2)CC1 794024402 QSSKNULCDIEYLG-XQRVVYSFSA-N 303.402 3.444 10 10 DGCE Cc1cc(F)c(CNC(=O)/C=C\c2ccc(O)c(O)c2)c(F)c1 1156670099 PCSQKBYYIWYWOI-HYXAFXHYSA-N 319.307 3.014 10 10 DGCE C/C(=C/c1cccnc1)C(=O)N(CC(F)(F)F)c1ccccn1 1356138520 JRNVCNINJWSQJW-XFXZXTDPSA-N 321.302 3.475 10 10 DGCE C[C@@H](CN1CCC[C@@H](N=[N+]=[N-])C1)C(=O)OCc1ccccc1 1912153369 GEEPDNCXIHKASM-DZGCQCFKSA-N 302.378 3.141 10 10 DGCE C[C@H](O)c1ccc(N2C[C@@H](C)[C@@H](F)C2)cc1Br 1947313779 VZVZLQFJLJIRST-ZDMBXUJBSA-N 302.187 3.297 10 10 DGCE CO[C@H](CN1CCOc2cc(N(C)C)ccc21)C1CCCC1 1459875602 MGMRMXHZYOOJGJ-GOSISDBHSA-N 304.434 3.157 10 10 DGCE COC(=O)COc1ccc(N(C)CCCCOC(C)(C)C)cc1 1459940205 ZGEBCHZQGXPRMJ-UHFFFAOYSA-N 323.433 3.270 10 10 DGCE CCc1csc(NC(=O)c2ccc(N=NC(N)=O)cc2)n1 1468899598 ZHQGDGLRPUEMON-UHFFFAOYSA-N 303.347 3.120 10 10 DGCE COc1c[nH]nc1NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C 1469684590 RYLNYHHPAVTBDF-UHFFFAOYSA-N 324.384 3.387 10 10 DGCE COC(=O)/C=C/c1ccc(N(C)C[C@@H]2CC2(C)C)c([N+](=O)[O-])c1 1612651457 ZKKMOQKLHXSHOR-CFNZNRNTSA-N 318.373 3.263 10 10 DGCE CN(C(=O)/C=C/c1ccc(O)c(O)c1)c1cccc2c1CCCN2 1634531017 DOVQILGEMPMGNK-CSKARUKUSA-N 324.380 3.132 10 10 DGCE C[C@H](NC(=O)CCc1cc(F)ccc1F)c1ccccc1O 1643742235 VBCJTUVITYAECR-NSHDSACASA-N 305.324 3.480 10 10 DGCE CCOC(=O)CCCCCN[C@H](C)c1cc(OC)ccc1O 1658022889 FRPQGYGARQSAEH-CYBMUJFWSA-N 309.406 3.175 10 10 DGCE C[C@@H](NC(=O)CCc1ccc(F)cc1F)c1ccccc1O 1587447730 ZSXQGPBDXRFTJW-LLVKDONJSA-N 305.324 3.480 10 10 DGCE C[C@H](CCCc1ccccc1)C(=O)NCc1cc(O)ccc1O 1593873496 QTZMCKRTWAXFGC-CQSZACIVSA-N 313.397 3.373 10 10 DGCE CCN(CC)c1ccc(CNC(=O)c2ccc(C)cc2O)cc1 1596578713 MHXVVDQMGRSNFZ-UHFFFAOYSA-N 312.413 3.477 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccccc2N)[C@H](F)C1 1959369103 ZPKXXILCAKVRNK-YPMHNXCESA-N 309.385 3.028 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](Nc2ccccc2N)C1 1959367753 QERWAJOWQGVCJO-OLZOCXBDSA-N 305.422 3.374 10 10 DGCE Clc1cc(CNC2CC2)ccc1N1CCO[C@H]2CCC[C@@H]21 164035876 UHCAZPSNOJVWJZ-IRXDYDNUSA-N 306.837 3.350 10 10 DGCE CCOC(=O)N1CCC(N=NNc2ccc(OC)cc2)CC1 1860490764 VUZSLLBRVPUAMY-UHFFFAOYSA-N 306.366 3.095 10 10 DGCE Cc1ccc(O)c(CNCCc2cnn(Cc3ccccc3)c2)c1 1942443221 ILYIZZWYDCXLQN-UHFFFAOYSA-N 321.424 3.278 10 10 DGCE C[C@H](O)c1cnc(SCCCNC(=O)OC(C)(C)C)s1 1883323457 OHBZVJKLOJNOJW-VIFPVBQESA-N 318.464 3.203 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](N)c2ccccc2O)C12CC2 1977088437 NQCVUTYUAYAFIG-ZFWWWQNUSA-N 318.417 3.182 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@]12C[C@@H]2[C@H](N)c1ccccc1O 1981391787 IHEREAOYHJMENM-SCFUHWHPSA-N 318.417 3.085 10 10 DGCE CC(C)(C)OC(=O)N1C[C@](N)(c2ccccc2O)C12CCCC2 1989565566 HAVQKALANKVQDV-SFHVURJKSA-N 318.417 3.110 10 10 DGCE C[C@H]1C[C@@](O)(c2ccc3c(c2)CCN3C)CN1Cc1ccccc1 1999510544 WHKKQCFCBFEXER-KKSFZXQISA-N 322.452 3.161 10 10 DGCE NCc1ccc(N2CCCC(F)(F)C2)cc1Br 405180656 HEZUREJJLOUFJM-UHFFFAOYSA-N 305.166 3.143 10 10 DGCE CNCc1cc(F)c(N(C)[C@H]2CC[C@H](C)SC2)c(F)c1 689581378 AQTFLZJCIJRKDL-JQWIXIFHSA-N 300.418 3.405 10 10 DGCE C[C@@H]1CCN(c2cc(Br)c(CN)cc2F)[C@@H]1C 380560494 TZHPELGZDXNTOP-RKDXNWHRSA-N 301.203 3.282 10 10 DGCE C[C@@H](NCc1cc(Cl)cc(Cl)c1O)c1cnn(C)c1 387973675 ZNJUGGAAPOKXQS-MRVPVSSYSA-N 300.189 3.283 10 10 DGCE C[C@@H]1C[C@@H](CNCc2cc(Cl)cc(Cl)c2O)CN1C 396645132 OFHQNYGWNZDWQQ-ZJUUUORDSA-N 303.233 3.129 10 10 DGCE CN(C[C@H]1CCC(C)(C)O1)c1cc(Cl)c(CN)cc1F 2177380470 DZMYWFBMQQJWLY-LLVKDONJSA-N 300.805 3.332 10 10 DGCE C[C@H](O)c1ccc(N2CC(O)(c3cccs3)C2)cc1Cl 2193352283 DHLVSSZLZHTILR-JTQLQIEISA-N 309.818 3.163 10 10 DGCE Cc1cc([C@@H](C)N)ccc1N1CCN(Cc2ccccc2)CC1 2212687207 AGQRBJBXMCMJPJ-QGZVFWFLSA-N 309.457 3.337 10 10 DGCE Oc1ccc(Cl)cc1CNC[C@@H]1OCC[C@H]1C(F)(F)F 2240534219 JOXICQXZDJBGFC-PWSUYJOCSA-N 309.715 3.103 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNCCc1cnsc1 2254264095 UPOSJVMQZYOLCW-UHFFFAOYSA-N 303.214 3.488 10 10 DGCE Cc1cc(CNCc2cccc(O)c2O)ccc1Br 2273772152 MKWJRYSMNMVFPL-UHFFFAOYSA-N 322.202 3.459 10 10 DGCE Nc1ccc(NC(=O)Nc2cnccc2Br)cc1 2264195228 CLNXDGAGTHWIBD-UHFFFAOYSA-N 307.151 3.070 10 10 DGCE CCCNC(=O)N(C)Cc1ccc(C)c(Br)c1O 2327606988 DOMUUKUAOOKQTI-UHFFFAOYSA-N 315.211 3.015 10 10 DGCE CCC[C@H](CN)N(C)Cc1ccc(C)c(Br)c1O 2327788579 FIYCLLGSWNQWJG-GFCCVEGCSA-N 315.255 3.022 10 10 DGCE CCCNCc1ccc(N2C[C@H]3[C@@H](O)CC[C@H]3C2)c(Cl)c1 124050389 JOQJMHPYYBHGBJ-VBQJREDUSA-N 308.853 3.047 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1C[C@H]1c1ccccc1 180771445 FCDWNAWUFZOIRS-GFXFGIRVSA-N 309.365 3.031 10 10 DGCE Nc1ccc(O)c(CNc2c(F)c(F)c(F)c(F)c2F)c1 37671291 XYWJJJIPNGVNHU-UHFFFAOYSA-N 304.218 3.282 10 10 DGCE COc1ccc(O)c([C@H](C)NCc2nc(C3CCCC3)no2)c1 182472052 KXOMDNIBVGWVFX-NSHDSACASA-N 317.389 3.292 10 10 DGCE COc1ccc(O)c(CNC(=O)c2cc(C)c(F)cc2Cl)c1 133797105 JPRIBKYHEBTBIS-UHFFFAOYSA-N 323.751 3.432 10 10 DGCE CCN(CC)C(=O)c1ccccc1C(=O)C(=N)c1ccccc1 196682293 JHDYWJFBOCQDTI-UHFFFAOYSA-N 308.381 3.419 10 10 DGCE Cn1cc(CN2CCCc3cc(OC(F)F)ccc32)cc1C#N 191492969 MWFMVCDFMYOSEP-UHFFFAOYSA-N 317.339 3.451 10 10 DGCE Cc1cc(O)ccc1NS(=O)(=O)C[C@@H](C)c1ccccc1 149449260 GLGIPRIWCKCHPL-CYBMUJFWSA-N 305.399 3.246 10 10 DGCE CN(c1cc2c(cc1Cl)[C@@H](N)C(=O)N2)C1CCCCCC1 92750592 ZYTRSZONWVMJOW-OAHLLOKOSA-N 307.825 3.451 10 10 DGCE CC[C@H](NCCc1ccc(OC)nc1)c1ccc(F)cc1O 527992372 YRPPWOMIDLUEAO-HNNXBMFYSA-N 304.365 3.218 10 10 DGCE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NCc1ccccc1O 180392123 YRNTZYOMHOVQMM-HIFRSBDPSA-N 320.433 3.127 10 10 DGCE Cc1cc(Cl)cc(CN2CC[C@H](N3CCCC3)[C@H]2C)c1O 809724628 SDBRNNAYCPFWKR-CJNGLKHVSA-N 308.853 3.413 10 10 DGCE Cc1cc(CN2CCC[C@@H]([C@H]3CCOC3)C2)ccc1N(C)C 815074235 MVFNTLLAMBDPJY-MSOLQXFVSA-N 302.462 3.310 10 10 DGCE CC(=O)C(=O)CS[C@H](C)c1cccc(Br)c1 813582507 NBVQQYAIZFRLBL-SECBINFHSA-N 301.205 3.401 10 10 DGCE Cc1cc(Cl)cc(CN2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1O 824715518 LDGNIECBXXPLRB-ARFHVFGLSA-N 309.837 3.479 10 10 DGCE CC1(C)CN(C(=O)Cc2ccc(N)cc2)CC[C@H]1C(F)(F)F 832173260 PWZKIWHOFCLLAS-CYBMUJFWSA-N 314.351 3.248 10 10 DGCE CSCC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C 917954011 BKVRLMGOIUSZEQ-UHFFFAOYSA-N 303.383 3.369 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@H](C)[C@@](C)(O)c2ccccc2)c1 846044794 QFGIZXUMQNAWEZ-IQUTYRLHSA-N 315.413 3.348 10 10 DGCE CCCc1nsc(N[C@@H]2CCN(c3ccc(OC)cc3)C2)n1 853760612 LGUVXBWBPVLLPW-GFCCVEGCSA-N 318.446 3.190 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)c3cc(C)cc(C)c3)C2)cc1 855234659 IKBMNBQTCSDDRO-KRWDZBQOSA-N 324.424 3.321 10 10 DGCE C[C@@H](COc1c(F)cccc1F)NCc1ccc2c(c1)CCO2 850366956 SETYXSAGLXETST-LBPRGKRZSA-N 319.351 3.457 10 10 DGCE Cc1cc(CN2CC[C@@H](O)C(F)(F)C2)ccc1N1CCCCC1 852414377 OPCRAXNUMGOZQT-QGZVFWFLSA-N 324.415 3.187 10 10 DGCE CN(C)c1ccc(CNc2ncnc3[nH]c(Cl)cc23)cc1F 754678859 YCSWFRMEOPRXPZ-UHFFFAOYSA-N 319.771 3.429 10 10 DGCE Cc1ccc([C@@H](C)NCCc2cn(C)c3ncccc23)c(O)c1 866574521 WNBCURCTAXHYFN-CQSZACIVSA-N 309.413 3.481 10 10 DGCE C[C@@H](CCc1cccnc1)NCc1ccc(N(C)C)c(F)c1 866247525 AVTGMLDVKCSPEI-AWEZNQCLSA-N 301.409 3.398 10 10 DGCE CCCN(CCC)c1ccc(CNC[C@]2(OC)CCOC2)cc1 763480959 QEIDEMFYJZUENX-LJQANCHMSA-N 320.477 3.208 10 10 DGCE CO[C@H](C)c1nc(C)c(C(=O)NCc2cc(C)ccc2O)s1 862758464 ZVYPZKHKBUTSQJ-LLVKDONJSA-N 320.414 3.103 10 10 DGCE Cc1csc([C@H](C)NC(=O)N[C@@H](C)c2ccccc2O)n1 868205350 YSWQFBPIBOBTHU-QWRGUYRKSA-N 305.403 3.279 10 10 DGCE CC1(C)CNCC[C@H](NCc2cc(Cl)cc(F)c2O)C1 872252091 OWQVUZCCGPFDHS-LBPRGKRZSA-N 300.805 3.053 10 10 DGCE CCOc1cccc(CN[C@@H](C(=O)OC(C)(C)C)C(C)C)c1O 776256662 FOYLFDPGIJPXAC-OAHLLOKOSA-N 323.433 3.247 10 10 DGCE CC[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)C(F)(F)F 786732834 VJLQEOAASOSOJZ-LBPRGKRZSA-N 321.318 3.032 10 10 DGCE COC(=O)c1cnc(Sc2ncnc3ccc(C)cc23)s1 1307126966 IWSVJVNOVBQUIK-UHFFFAOYSA-N 317.395 3.333 10 10 DGCE CO[C@@H]1CC[C@@H](NC(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 1326202961 YDDOLDYAMSVDSO-SJLPKXTDSA-N 312.413 3.391 10 10 DGCE CCN(C)c1nnc(C(C)C)n1Cc1ccc(N(C)C)c(F)c1 1515322875 CBIFTCARTIHJGG-UHFFFAOYSA-N 319.428 3.111 10 10 DGCE CN(C)c1ccc(/C=C2/OC(=O)c3cc([N+](=O)[O-])ccc32)cc1 480634 VJFQTJXSPJJPKG-CXUHLZMHSA-N 310.309 3.329 10 10 DGCE C[C@@H](CN(C)C(=O)c1c(F)ccc(O)c1O)c1ccccc1 1558925440 JZZDBCQRSQDWKI-NSHDSACASA-N 303.333 3.113 10 10 DGCE C[C@H](CSC(F)(F)F)C(=O)N(C)Cc1ccccc1O 1622317715 VUUUIDDQOZAEIA-SECBINFHSA-N 307.337 3.240 10 10 DGCE COc1ccc(-n2c(C)cc(C(=O)N[C@H](C)C(F)F)c2C)cc1 1637657099 NOOSAVLWCQBQNK-LLVKDONJSA-N 322.355 3.486 10 10 DGCE CC(=O)c1ccc(C(=O)N[C@@H](C)c2ccccc2O)c(F)c1 1635803252 BYGAULDZJRBFMA-JTQLQIEISA-N 301.317 3.225 10 10 DGCE CCN(Cc1cc(C(F)(F)F)nn1C)c1ccc(OC)cc1 1644855770 LZMBAVMMHKNOCV-UHFFFAOYSA-N 313.323 3.474 10 10 DGCE CCCC(C)(C)C(=O)NC[C@@H](C)NCc1ccc(OC)c(C)c1 1731617205 WZNRGIOGSNUUCB-OAHLLOKOSA-N 320.477 3.424 10 10 DGCE C/C(=C/c1cccc(Cl)c1)C(=O)NCc1cc(O)ccc1O 1643881941 LJJGYGUKXPDUHU-XFFZJAGNSA-N 317.772 3.471 10 10 DGCE CO[C@@H]1C[C@H](NCc2cc(Cl)cc(C(C)=O)c2O)C1(C)C 1658693056 JDDFDYLAPGHBIE-UONOGXRCSA-N 311.809 3.151 10 10 DGCE C[C@@H](N[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1O 1931311735 KNKWDCYQPUPGOO-JHJVBQTASA-N 306.406 3.099 10 10 DGCE COc1ccc(CNCCC[C@@H](C)NC(=O)C=C(C)C)cc1C 1675847881 PGVSCKRAFUUWLG-MRXNPFEDSA-N 318.461 3.344 10 10 DGCE CCOc1cc(/C=C2/C(=O)N(CC(C)C)N=C2C)ccc1O 1865649718 AEMGKJJGEBZKLY-RIYZIHGNSA-N 302.374 3.048 10 10 DGCE CN(C)c1ccc(/N=N/c2ccccc2)cc1S(=O)(=O)O 5140622 URBGCCIOBPPOLK-FOCLMDBBSA-N 305.359 3.415 10 10 DGCE CC(C)(C)OC(=O)N1CCC(C)([C@@H](N)c2ccccc2O)CC1 1936970763 OTLDRPJJAUKTQX-HNNXBMFYSA-N 320.433 3.429 10 10 DGCE CCCCOC(=O)CCNCc1ccc(N(CC)CC)cc1 1857869388 BMXSYXZWTFLGRU-UHFFFAOYSA-N 306.450 3.356 10 10 DGCE C[C@@H]1CCCN(CCN=[N+]=[N-])[C@@H]1CCNC(=O)OC(C)(C)C 1962305508 SUEWFCGQKNCSLP-CHWSQXEVSA-N 311.430 3.312 10 10 DGCE CN(C(=O)c1ccc(Br)cc1F)c1ccc(N)cc1 20373821 FZMWWSKAUNBQCO-UHFFFAOYSA-N 323.165 3.447 10 10 DGCE Nc1ccc(N2CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 1980347010 RXTWCKJPLKMMRQ-MSOLQXFVSA-N 307.441 3.227 10 10 DGCE Cc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(O)c(F)c1 2145854185 ZLFVWKJFDNEWHH-UHFFFAOYSA-N 315.753 3.294 10 10 DGCE CC(C)(C)OC(=O)N1CCC2CC1([C@H](N)c1ccccc1O)C2 1989647056 KZZSDHMNKMCVJO-HBSPSFQMSA-N 318.417 3.182 10 10 DGCE C[C@@H](O)c1ccc(N2CC(CCF)C2)cc1Br 1996951194 YBUIJMHQZVTOCJ-SECBINFHSA-N 302.187 3.298 10 10 DGCE Oc1ccc(CNCc2cscc2C(F)(F)F)cc1O 2151831017 SKEXUHRUAHYMOI-UHFFFAOYSA-N 303.305 3.468 10 10 DGCE Brc1cc(CNC2CC2)ccc1N1CC2CC1C2 2034313002 HIRNGYYOEKEMNN-UHFFFAOYSA-N 307.235 3.300 10 10 DGCE C[C@@H]1CN(Cc2ccccc2)CCN(Cc2ccc(N)cc2)C1 323880218 CKYNHKBUIYZEJE-QGZVFWFLSA-N 309.457 3.223 10 10 DGCE CO[C@@H](C)CN(Cc1ccc(Br)cc1O)C(C)C 688105046 KASOIAMVYOGRPT-NSHDSACASA-N 316.239 3.400 10 10 DGCE CCNCc1ccc(N2CC[C@@H](CF)C2)c(Br)c1 711519866 RYFPAUVETAEAEZ-LBPRGKRZSA-N 315.230 3.354 10 10 DGCE CC[C@H](N[C@H](C)[C@H](O)CC)c1cc(Br)ccc1O 386749367 GEVRDNJJGNHPTB-JIMOISOXSA-N 316.239 3.355 10 10 DGCE CN(C[C@H]1OCCC1(C)C)c1cc(Cl)c(CN)cc1F 2177381616 PCDAREZKBPMYFN-CQSZACIVSA-N 300.805 3.189 10 10 DGCE C[C@H](N)c1cc(F)c(N(C)C[C@@H](F)C(F)(F)F)c(F)c1 2194701941 JAMQHIDTLBZTFA-QUBYGPBYSA-N 300.246 3.321 10 10 DGCE Cc1cccc(CNCc2cccc(Br)n2)c1O 2084058142 CYQFPBWXEXGKNS-UHFFFAOYSA-N 307.191 3.148 10 10 DGCE CNCc1ccc(N(C)C[C@@]2(F)C[C@@H]2C)cc1Br 2085438978 DHRHZAWKVWGVJZ-HZMBPMFUSA-N 315.230 3.353 10 10 DGCE Nc1ccc(COC[C@H](O)c2ccc(Br)cc2)cc1 2113443774 DZHVJPNUBZEIND-HNNXBMFYSA-N 322.202 3.282 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN(Cc2nscc2Br)C1 2214607985 RXNZIVXRIUDYKS-QMMMGPOBSA-N 316.228 3.428 10 10 DGCE CC[C@H]1CN2CCCC[C@H]2CN1Cc1cnc(SC)s1 2284678331 VNBJEKSQKUXIQF-STQMWFEESA-N 311.520 3.314 10 10 DGCE Cc1ccncc1N(C)C(=O)/C=C/c1cnc2ccccc2n1 492612563 BCLQKBFAXOXEJG-BQYQJAHWSA-N 304.353 3.009 10 10 DGCE Cc1ccc(CNC[C@H]2C[C@H]2C(F)F)c(O)c1Br 2327611666 FSONFKOPYCVRDZ-NXEZZACHSA-N 320.177 3.454 10 10 DGCE CC[C@H](N)[C@H](C)N(C)Cc1ccc(C)c(Br)c1O 2327609840 PUVNJCQJRIQQAD-JQWIXIFHSA-N 315.255 3.021 10 10 DGCE CC(C)(C)[C@@H]1C[C@@](Sc2nccs2)(C(=O)O)CCO1 2351991109 OFNCGMMYHDADKA-TVQRCGJNSA-N 301.433 3.284 10 10 DGCE CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccccc1[N+](=O)[O-] 101124281 BAOHVZBIUZSNOE-KAMYIIQDSA-N 322.324 3.313 10 10 DGCE CCOc1c(F)cccc1C(=O)NCc1ccc(N(C)C)cc1 173112378 MAVYBQUQCHCTIR-UHFFFAOYSA-N 316.376 3.220 10 10 DGCE Cc1cc(O)ccc1NS(=O)(=O)c1c(F)cccc1Cl 126139781 DUSWVXDBBUDNOQ-UHFFFAOYSA-N 315.753 3.294 10 10 DGCE CNCc1ccc(N(C)C(C)(C)COC)cc1Br 311125009 VDHKDDUWFGURPO-UHFFFAOYSA-N 315.255 3.030 10 10 DGCE CC[C@@H](CSC)N[C@@H](C)c1ccc(N2CCOCC2)cc1 183525098 VULVQMMTYVCTLC-HOCLYGCPSA-N 308.491 3.315 10 10 DGCE COc1cccc(/N=N\c2c(CC(=O)O)nc3ccccn23)c1 71581198 IMSRKWHJPCYEBU-HNENSFHCSA-N 310.313 3.385 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2C(=O)C(C)(C)CC(F)F 415241487 LPSCTRRNDOXJGF-UHFFFAOYSA-N 312.360 3.159 10 10 DGCE COc1cc(Cl)c(C)cc1NC(=O)c1ccc(O)c(O)c1 226952084 XETIMTWDJGZQJY-UHFFFAOYSA-N 307.733 3.321 10 10 DGCE FC(F)Oc1ccc(N2CCC[C@H](NCc3cocn3)C2)cc1 192319958 POKMMUIOIYGXAD-LBPRGKRZSA-N 323.343 3.035 10 10 DGCE CCOc1ccc(O)c(CN(C[C@@H](C)O)C2CCCCC2)c1 92974517 KTDUMXXHFKDGMP-CQSZACIVSA-N 307.434 3.306 10 10 DGCE CC(C)N[C@]1(CO)CCC[C@H]1CCSc1nccs1 93623213 SUAPVQAWJQBORB-JSGCOSHPSA-N 300.493 3.155 10 10 DGCE COc1ccc(O)c([C@H](C)NC[C@@H]2CCN2C2CCCCC2)c1 527951205 QPKKMVCXFUPZLR-HOCLYGCPSA-N 318.461 3.458 10 10 DGCE CC[C@@H](N[C@@H]1CCCc2nn(C)cc21)c1ccc(F)cc1O 286375758 ALERGCVTZSYCRY-HUUCEWRRSA-N 303.381 3.383 10 10 DGCE CCn1nccc1NC(=O)Cc1cc(C)n(-c2ccccc2)c1C 825405979 MJBPJBPXYFWVBQ-UHFFFAOYSA-N 322.412 3.492 10 10 DGCE COc1cc(O)c(CN2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)cc1OC 824702049 HFFFFMJXGOGOMJ-MOMAJJCNSA-N 315.413 3.053 10 10 DGCE C[C@H](CC(=O)NCc1ccc(N2CCCC2)cc1)[C@@H]1CCCO1 821844124 YRVFEKRCVWBRNW-QAPCUYQASA-N 316.445 3.108 10 10 DGCE Nc1ccc(Cc2noc(C[C@H]3CCC4(CCC4)CO3)n2)cc1 904077073 OLWXHZXCKFEXAI-OAHLLOKOSA-N 313.401 3.134 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCC[C@@H]2[C@@H]2CCCO2)cc1 835049553 KAEYMBVNYXFOJN-WAPNLOFKSA-N 300.446 3.409 10 10 DGCE C[C@H](CO)N(C/C=C\c1ccc(N(C)C)cc1)CC1CCC1 835049527 JNGKWIMMZCHXST-KQQSKNTNSA-N 302.462 3.249 10 10 DGCE Cc1ccn([C@H](C)CC(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1 832437107 XDEHZOYEBIKRGY-HUUCEWRRSA-N 314.433 3.086 10 10 DGCE Cc1cc(N(C)C)ccc1CNc1ccc(OC(C)C)nn1 840882787 AIDIYUVOJKMEHS-UHFFFAOYSA-N 300.406 3.250 10 10 DGCE Nc1ccc(NC(=O)N[C@H](c2ccccc2)[C@H]2CCOC2)cc1 841296703 XQFPPRRWBXEOLG-WMLDXEAASA-N 311.385 3.168 10 10 DGCE CCN(CC)c1ccc(CN(C)C/C=C(/C)C(=O)OC)cc1 748809997 OXWKKKGHBKXNSW-QINSGFPZSA-N 304.434 3.084 10 10 DGCE CC(=O)c1ccccc1OCCN1CCCc2cc(CN)ccc21 843349502 BLMVZDZJXHNYGV-UHFFFAOYSA-N 324.424 3.180 10 10 DGCE CCc1cnccc1[C@@H](C)NC(=O)NCc1c(O)cccc1F 921789695 XMDCNZWNRFXWRY-LLVKDONJSA-N 317.364 3.049 10 10 DGCE Cc1cc(CN2CC[C@H](O)C(F)(F)C2)ccc1N1CCCCC1 852414376 OPCRAXNUMGOZQT-KRWDZBQOSA-N 324.415 3.187 10 10 DGCE C[C@@H]1C[C@]1(CCOc1ccc(N)cc1)NC(=O)OC(C)(C)C 1952520292 XTRZSANXBOQJMP-PXAZEXFGSA-N 306.406 3.341 10 10 DGCE Cc1ccc(/C=C\C(=O)N2CCCc3c2cccc3[N+](=O)[O-])cn1 754386731 WQCSRDZIWUEQFQ-KTKRTIGZSA-N 323.352 3.291 10 10 DGCE CC[C@@H](NC[C@@H]1CNC[C@H]1C)c1ccc(C(F)(F)F)cc1O 925784224 IFRALTFEQQYBRU-UHIISALHSA-N 316.367 3.307 10 10 DGCE COCCN(CCF)Cc1cc(OC)cc(C(C)(C)C)c1O 853549070 ZXMOMSQSXOTDND-UHFFFAOYSA-N 313.413 3.116 10 10 DGCE COC[C@H](CCN[C@@H](C)c1ccc(N2CCCCC2)cc1)OC 850485562 LBZOLQAMWQZYDJ-LPHOPBHVSA-N 320.477 3.379 10 10 DGCE C[C@H](O)c1ccc(N2CCO[C@@](C)(C(F)F)C2)cc1Cl 698735513 LLIUIDZKQQKUFE-LKFCYVNXSA-N 305.752 3.254 10 10 DGCE C[C@H](Cc1ccccc1)NC(=S)N1Cc2cccc(O)c2C1 865258751 MMXIRBSCMDRCAB-CYBMUJFWSA-N 312.438 3.214 10 10 DGCE COc1cc2c(cc1OC)N(Cc1ccc(F)cc1)CCN2 57925552 VUGBRVYZUKRHDO-UHFFFAOYSA-N 302.349 3.275 10 10 DGCE C[C@H](NCc1cn2cccc(F)c2n1)c1ccc(N(C)C)cc1 775361695 DNNRUVVCEFUSJF-ZDUSSCGKSA-N 312.392 3.390 10 10 DGCE CCc1cnc(/C=C2\SC(N3CCCCC3)=NC2=O)s1 783700856 VVKJTKMPOQGGAD-FLIBITNWSA-N 307.444 3.162 10 10 DGCE C[C@@H](CNCc1c(O)cccc1Br)C(F)(F)F 706863896 YRJXGOLKJMBLMC-ZETCQYMHSA-N 312.129 3.443 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CC(C)(C)C(F)(F)F 797751150 RHKXSAPLKRSMNH-VIFPVBQESA-N 319.323 3.124 10 10 DGCE COc1ccc(Nc2ccc(N=NS(=O)(=O)O)cc2)cc1 1088738368 RTXDDUGOSXJNFK-UHFFFAOYSA-N 307.331 3.325 10 10 DGCE CCOc1nc(NCc2ccc(N(C)C)cc2)ncc1Cl 1306919175 YUBICRGMJPBTSI-UHFFFAOYSA-N 306.797 3.207 10 10 DGCE CN(C)c1ccc(CN2CCCC[C@H]([C@@H]3CCOC3)C2)cc1 1308145962 RXTKQKOSMZJYAF-ZWKOTPCHSA-N 302.462 3.391 10 10 DGCE Cc1ccc(O)c(CNC(=O)N[C@H]2[C@@H]3c4ccccc4CC[C@H]32)c1 1312332454 NHVYCTNUJRZSJU-BHIYHBOVSA-N 322.408 3.228 10 10 DGCE CCCN[C@@H]1C[C@@H](Sc2nccs2)CC[C@@H]1COC 2127232710 YCVGBKSGDUSUFA-FRRDWIJNSA-N 300.493 3.419 10 10 DGCE C[C@@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)[C@@H]1CCCO1 1264286943 DPJFFIMPOMDHQI-QAPCUYQASA-N 316.445 3.060 10 10 DGCE Cc1cc(CCNC(=O)[C@@H]2C[C@@H]2F)c(C)n1-c1ccccc1 1438176281 DOOHLKMUNZXHHR-SJORKVTESA-N 300.377 3.111 10 10 DGCE O=C(NCc1cccs1)c1cc2cc(O)c(O)cc2s1 1440483115 QILGVZFVYLKSLS-UHFFFAOYSA-N 305.380 3.304 10 10 DGCE Cc1csc([C@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)n1 1611355464 FREARHDDLDZHCU-VIFPVBQESA-N 317.374 3.105 10 10 DGCE Cc1ccccc1-n1c(C)cc(C(=O)N2CC(F)(F)C2)c1C 1611414021 AYJQAHNWIIVCCS-UHFFFAOYSA-N 304.340 3.494 10 10 DGCE CC/C=C(/C)C(=O)NC[C@@H](C)CNCc1ccc(OC)c(C)c1 1482081272 BQEWIEAFYBGVSV-FQNPWXFGSA-N 318.461 3.202 10 10 DGCE CCO[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)C1CCCC1 1624480247 TXZNPGAXHJNTQS-GOSISDBHSA-N 318.461 3.306 10 10 DGCE O=C(Nc1ccnc(OCC(F)(F)F)c1)c1cc(O)cs1 1629107863 QGIWSOHQFWCMJO-UHFFFAOYSA-N 318.276 3.042 10 10 DGCE CN[C@@H](C[C@@H](C)N(C)C(=O)OC(C)(C)C)c1ccccc1O 1925319830 VCODLFMVOJIRBX-OCCSQVGLSA-N 308.422 3.298 10 10 DGCE CN(C(=O)/C=C/c1cncc(F)c1)c1cccc2c1CCCN2 1639934384 NYOWNYITRPDZJN-BQYQJAHWSA-N 311.360 3.255 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)Nc1ccc(-c2ccccc2)cn1 1630738871 VNRVLSYFTNUQDW-UHFFFAOYSA-N 320.348 3.341 10 10 DGCE C[C@@H](NC(=O)c1cccc(C(F)(F)F)n1)c1ccccc1O 1642827728 PZHRUHAVZYBNIV-SECBINFHSA-N 310.275 3.297 10 10 DGCE Cc1cccc(N)c1N[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C 1959366490 KUEYBDUAEZKDDX-ZIAGYGMSSA-N 305.422 3.435 10 10 DGCE CC(C)(C)OC(=O)NC[C@H]1CCCCN1c1ccc(N)cc1 1959571193 ZBUQOBLYUNEEBF-OAHLLOKOSA-N 305.422 3.152 10 10 DGCE CC(C)CNCc1ccc(N2CCCC[C@H]2CO)c(Cl)c1 163970839 PIIAUYFTQBNFCE-HNNXBMFYSA-N 310.869 3.437 10 10 DGCE CCNC(=O)c1ccc(NCc2cccc(Cl)c2O)cc1 164994405 QOAXKYYKVKAZCZ-UHFFFAOYSA-N 304.777 3.407 10 10 DGCE CCOC(=O)CCN(C)/N=N/c1cccc(Br)c1 1860484309 HANXZERYFLZQFI-CCEZHUSRSA-N 314.183 3.333 10 10 DGCE Oc1[nH]nc(C(F)(F)F)c1/N=N/c1ccc2c(c1)OCO2 106388381 LZJJCRPSPDOULS-FOCLMDBBSA-N 300.196 3.278 10 10 DGCE COc1ccc(CNCc2ccc(-c3cnn(C)c3)cc2)c(O)c1 1321505940 AOXYGTZESMZZRX-UHFFFAOYSA-N 323.396 3.091 10 10 DGCE Oc1ccc(Cl)cc1CN[C@H]([C@@H]1CCOC1)C(F)(F)F 2143639129 RFSWTPXCSLAGNW-PRHODGIISA-N 309.715 3.103 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1Cc2ccccc2N(CCN=[N+]=[N-])C1 1982240411 BQPVQWDDMDHCLB-ZDUSSCGKSA-N 317.393 3.253 10 10 DGCE C[C@H](CO)N(Cc1ccccc1)c1ccc2c(c1)CCC[C@H]2N 1986601956 ZDOPLLOOOLYTGW-FOIQADDNSA-N 310.441 3.410 10 10 DGCE C[C@@H]1[C@@H](NCc2ccc(F)cc2O)CCN1C(=O)OC(C)(C)C 1994524403 KCOWUGDHTWOILK-RISCZKNCSA-N 324.396 3.019 10 10 DGCE C[C@H]1CC[C@@H]1N(C)c1ccc(CN)c(Br)c1F 1998768832 BMXHPRITDTULPG-WPRPVWTQSA-N 301.203 3.282 10 10 DGCE CNCc1ccc(N2C[C@H]3CC[C@H](C3)C2)cc1Br 2035710983 SIBBJEYIYZJFME-TXEJJXNPSA-N 309.251 3.405 10 10 DGCE C[C@](NCCN=[N+]=[N-])(C(=O)O)c1c(Cl)cccc1Cl 400930996 YTTXOQXAOVOVSL-LLVKDONJSA-N 303.149 3.193 10 10 DGCE OCC1CCC(NCc2cc(Cl)cc(Cl)c2O)CC1 311496525 OJGHICSTTFOCJP-UHFFFAOYSA-N 304.217 3.340 10 10 DGCE C[C@@H](CNCc1c(O)cccc1Br)c1ccccn1 706808407 LVZKITONXLJCIO-NSHDSACASA-N 321.218 3.443 10 10 DGCE C[C@@H]1CSCCN(c2ccc(CN)cc2Br)C1 379509353 NGYZKEJBVJLCKB-JTQLQIEISA-N 315.280 3.097 10 10 DGCE Cc1c(CN[C@@H]2CCCCC23OCCO3)n(C)c2ccccc12 715684129 PNBGTTJXOPMIBJ-GOSISDBHSA-N 314.429 3.262 10 10 DGCE CCc1nn(Cc2cccc(C)c2O)c(C(F)(F)F)c1CO 2078932323 IKETUQOHPIHJIQ-UHFFFAOYSA-N 314.307 3.019 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@]1(O)C[C@@H]2CCC[C@H]21 2197536409 IZEAWXWFAAUCSZ-TURKWSHLSA-N 316.228 3.340 10 10 DGCE CCN[C@@H](C)c1ccc(N2CCOC[C@H]2CF)c(Cl)c1 2182604983 JTKKAFYXUIVFGS-WCQYABFASA-N 300.805 3.185 10 10 DGCE C[C@H](N)c1ccc(N2C[C@@H](F)C[C@H](F)C2)c(Br)c1 2062397891 XYKBFMPIHOTFET-LSJOCFKGSA-N 319.193 3.355 10 10 DGCE C[C@H](N)c1ccc(N2Cc3ncsc3C2)cc1Br 2081611183 GPXZQHJHURJVKU-QMMMGPOBSA-N 324.247 3.446 10 10 DGCE Cc1c(Br)csc1[C@H](NN)c1ccccc1O 2213769468 USHKDXRRBVPGSI-LLVKDONJSA-N 313.220 3.077 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@@H]1NC(=O)c1cc(Cl)nc(Cl)c1 2225794515 GNWSIDBKIDCPIE-YUMQZZPRSA-N 300.149 3.350 10 10 DGCE O=C(O)C=Cc1ccc(N2CC(SC(F)(F)F)C2)cc1 2237480222 DQBPHNCKOQOYCC-UHFFFAOYSA-N 303.305 3.226 10 10 DGCE C[C@H](N)c1ccc(N(C)C2CSCCSC2)c(F)c1 2228755035 URHOACIZYWJOQD-JTQLQIEISA-N 300.468 3.130 10 10 DGCE CSCCN(C)c1c(F)cc(CNC2CCC2)cc1F 2240061569 ODHWACSNGFPRCZ-UHFFFAOYSA-N 300.418 3.406 10 10 DGCE CC[C@H](C)NCc1ccc(N(C)CC[S@@](C)=O)cc1Cl 2240021593 WNIOWAIQMSRJOA-FKIZINRSSA-N 316.898 3.043 10 10 DGCE C[C@H](N)c1ccc(N2CCO[C@@H](P(C)(C)=O)C2)cc1Cl 2289307259 RJLMEPIMAKELSK-HZMBPMFUSA-N 316.769 3.145 10 10 DGCE C[C@@H](O)c1ccc(N(C)CC[C@H]2CCO2)cc1Br 2264010534 MORHQUCKWZWCFB-PWSUYJOCSA-N 314.223 3.118 10 10 DGCE Cc1ccc(CN[C@@]2(C)CCO[C@H]2C)c(O)c1Br 2327799398 VCBWBNVXXMVDSU-HZMBPMFUSA-N 314.223 3.120 10 10 DGCE Cc1ccc(CNCc2ocnc2C)c(O)c1Br 2327796231 DJYCMOQHGFUJNY-UHFFFAOYSA-N 311.179 3.049 10 10 DGCE C[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1ccncc1 125423487 WGQUOLUJBJGPJB-AWEZNQCLSA-N 324.428 3.024 10 10 DGCE C[C@H](NCCc1ccsc1)c1ccc(N2CCOCC2)cc1 177726478 SPIGTSKUZLNPFB-HNNXBMFYSA-N 316.470 3.478 10 10 DGCE CCOC(=O)CCCCCCNCc1cnc(SC)s1 2363200928 UDSDQOFLJHIDBB-UHFFFAOYSA-N 316.492 3.468 10 10 DGCE COc1cccc(CCN[C@H](C)c2cc(OC)ccc2O)c1 185040447 SDFYSYPTFPWLSB-CYBMUJFWSA-N 301.386 3.303 10 10 DGCE CCC(CC)C(=O)NCc1nc(-c2ccc(O)c(O)c2)cs1 49699390 PRFUVOAXCOJXDY-UHFFFAOYSA-N 320.414 3.274 10 10 DGCE Cc1ccc([C@H](C)N(C)S(=O)(=O)Cc2ccc(N)cc2)s1 40334597 PFZYCKMJVNNUST-LBPRGKRZSA-N 324.471 3.162 10 10 DGCE C[C@H](C(=O)Nc1ccc(N)cc1)[S@](=O)c1ccc(Cl)cc1 40960906 WCKZAMTWMRPRPU-LADRHHBVSA-N 322.817 3.057 10 10 DGCE COc1ccc(N(C[C@@H](O)C(F)(F)F)[C@H](C)C2CC2)cc1 248564141 KHANLNRHUQWOCB-QMTHXVAHSA-N 303.324 3.223 10 10 DGCE CCc1noc(Cn2c3c(c4ccccc42)CN(C(C)C)CC3)n1 345700515 VICQQBPPGRGAAP-UHFFFAOYSA-N 324.428 3.402 10 10 DGCE CCOc1ccc(O)c(CN2CCC3(CCOCC3)[C@H]2C)c1 375237040 MDMWCWNPWCDJRF-CQSZACIVSA-N 305.418 3.182 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)COc1ccsc1 800466694 FJXGFPLVKUGYGJ-UHFFFAOYSA-N 318.442 3.242 10 10 DGCE CCOc1ccc(O)c(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1 290826750 HERMFQUSRCMAAU-QZTJIDSGSA-N 317.429 3.324 10 10 DGCE C[C@@H](N[C@@H]1CCOC1(C)C)c1ccc(Br)cc1O 296279059 DYOVECUSJAXAQM-NOZJJQNGSA-N 314.223 3.373 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCOC[C@H]2c2ccco2)cc1 835030244 WHSABLZGDCIGSK-AJNOYIKESA-N 312.413 3.432 10 10 DGCE CC(C)c1noc(CCCN[C@@H]2CCc3cccc(O)c32)n1 834558203 BUISUPKOCOQAKA-CYBMUJFWSA-N 301.390 3.108 10 10 DGCE CCN(CC)c1ccc(CNC(=O)NCCOC(C)(C)C)cc1 746726998 HWFKUOVPFWEABH-UHFFFAOYSA-N 321.465 3.147 10 10 DGCE CCOc1cccc(NC(=S)NCc2cccc(C)n2)c1 742986627 OVMITGGCVHNWSU-UHFFFAOYSA-N 301.415 3.275 10 10 DGCE COc1ccc(O)c(CNC(=O)CC2CC(OC(C)(C)C)C2)c1 754226583 GNYXHSDVOIJIDD-UHFFFAOYSA-N 321.417 3.001 10 10 DGCE C[C@@H](O)c1ccc(N2CCO[C@H](C(F)(F)F)C2)c(Cl)c1 698772522 MLEPPHNBDKSDKU-PELKAZGASA-N 309.715 3.161 10 10 DGCE C[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1ccncc1 864786348 RZHABAIBAAPBSW-OAHLLOKOSA-N 323.440 3.442 10 10 DGCE Fc1cc(CNCC[C@@H]2CCCS2)ccc1N1CCOCC1 865724902 MRWRBCHNCJVEPX-HNNXBMFYSA-N 324.465 3.038 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)CCCc1nccs1 1136743370 PQVGPVUDQXEKLX-UHFFFAOYSA-N 317.458 3.157 10 10 DGCE COc1ccc(CCNCc2cc(Cl)cc(OC)c2O)cc1 76274304 UXWCOKMSCLLAGX-UHFFFAOYSA-N 321.804 3.395 10 10 DGCE Oc1c(F)cc(F)cc1CN1CCC2(C1)Oc1ccccc1O2 894787448 OTPAHUZSYDSHQO-UHFFFAOYSA-N 319.307 3.044 10 10 DGCE Cc1cccc(O)c1CN[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C 1958794779 RZFYFFXQXJHFKS-STQMWFEESA-N 308.422 3.092 10 10 DGCE CN(C)c1ccc([C@@](C)(N)c2ncccc2Br)cc1 2120098583 XHXYJAASRKHWSI-OAHLLOKOSA-N 320.234 3.132 10 10 DGCE Cc1ocnc1CCNCc1cc(Cl)cc(Cl)c1O 2128999567 TVBFLHOIEIPCRB-UHFFFAOYSA-N 301.173 3.328 10 10 DGCE O=C(O)C=Cc1ccc(N2CC[C@@H]3C[C@@H]32)c(Br)c1 1912011698 RPNFKNYDZRQJED-MFKMUULPSA-N 308.175 3.146 10 10 DGCE CCO[C@@H](C(=O)NCc1ccc(N(C)C)cc1C)C1CCCC1 1435117695 GSFGDKYJPUJBAD-GOSISDBHSA-N 318.461 3.273 10 10 DGCE Cc1oc(C(C)(C)C)cc1C(=O)NCc1c(O)cccc1O 1456323437 RULLMSWXTATKCL-UHFFFAOYSA-N 303.358 3.227 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)NCC[C@H]2C[C@H]3CC[C@H]2C3)cc1 1292477792 GBRIHWICEMRTMA-UBHSHLNASA-N 314.389 3.405 10 10 DGCE CC(=O)c1cc(C(=O)Nc2c(Cl)ccc3nonc23)cs1 1525082000 XFOWKPCAWBEPKF-UHFFFAOYSA-N 321.745 3.393 10 10 DGCE COc1ccc(C(=O)NCc2ccc(O)cc2O)c2ccccc12 1626837614 AOHPDRFXWQOFBN-UHFFFAOYSA-N 323.348 3.190 10 10 DGCE Cc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)c1ccccc1O 1557967689 JGKRKXBCVYSBSY-AWEZNQCLSA-N 321.380 3.377 10 10 DGCE COc1ccc(N(Cc2cnon2)Cc2ccco2)cc1F 1653580853 DKBUIZBJOSHFSB-UHFFFAOYSA-N 303.293 3.017 10 10 DGCE CC(C)c1nnc(N(C)Cc2ccccc2O)n1[C@@H]1C[C@H]1CF 1741335579 WRWSADNKWUEZCQ-UONOGXRCSA-N 318.396 3.274 10 10 DGCE Cc1cnc([C@H](C)NCc2cc(Br)ccc2O)o1 231532325 GBMGOUBRRDHKOE-VIFPVBQESA-N 311.179 3.302 10 10 DGCE [N-]=[N+]=NCCCOc1cc(Br)cc([N+](=O)[O-])c1 232456332 IGDSYGQNGSVTQA-UHFFFAOYSA-N 301.100 3.437 10 10 DGCE Nc1ccc(O[C@@H]2CC[C@H]3C[C@H]2CN3CC(F)(F)F)cc1 259591049 PNRFMXAMLAHIFJ-VHRBIJSZSA-N 300.324 3.063 10 10 DGCE CNCc1ccc(N(C)CCC(F)F)c(Br)c1 1947495571 FLJDWMUVLJCFLP-UHFFFAOYSA-N 307.182 3.260 10 10 DGCE CC(C)(C)OC(=O)N[C@H](CNCc1ccccc1O)C1CCC1 1967756778 SSVWUHQQNZMUKD-OAHLLOKOSA-N 320.433 3.175 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@](F)(CNc2ccc(N)cc2)C1 1977662632 MCZSQPOPGPQERT-QGZVFWFLSA-N 323.412 3.420 10 10 DGCE CC[C@@H](CN(C)c1ccc(OC)cc1N)NC(=O)OC(C)(C)C 1981727806 QPGZGPXAAIFATI-LBPRGKRZSA-N 323.437 3.017 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CC2(CCC2)[C@@H]1Oc1ccc(N)cc1 1994748254 IZDDCNMJJBYIGD-LSDHHAIUSA-N 318.417 3.484 10 10 DGCE CNCc1cc(F)c(N(C)C[C@H]2SCC[C@H]2C)c(F)c1 2150867993 MPBMDYNVBGSWIF-QMTHXVAHSA-N 300.418 3.262 10 10 DGCE C[C@H](N)c1ccc(N2CCOC[C@H]2C(F)(F)F)cc1Cl 2150369135 DNIPXLZXEPUNCX-UFBFGSQYSA-N 308.731 3.127 10 10 DGCE Oc1cc(Br)ccc1CNc1cnc(Cl)cn1 2008697347 FNNSKLJKRLODAZ-UHFFFAOYSA-N 314.570 3.210 10 10 DGCE CC[C@@H]1C[C@H](N(C)Cc2cccc(Br)c2O)CO1 711183177 VLBOMSMMDZOUSP-NWDGAFQWSA-N 314.223 3.154 10 10 DGCE C[C@@H](N)c1ccc(N2CCS[C@H]3COCC[C@@H]32)cc1Cl 2170485887 HBAHKDDKIYQFNT-ONERCXAPSA-N 312.866 3.070 10 10 DGCE Cc1cc(Cl)nc(Cl)c1C(=O)N1CC[C@H](N=[N+]=[N-])C1 2277888461 JXPBXKYKECNTDG-ZETCQYMHSA-N 300.149 3.222 10 10 DGCE CN[C@@H](c1cc(Cl)cs1)[C@H](O)c1ccc(N(C)C)cc1 2290198594 COELPNSCYMNBRC-LSDHHAIUSA-N 310.850 3.462 10 10 DGCE C[C@H](c1ccccc1O)N(C)Cc1ccsc1C(N)=S 2294680892 SBJLZHGIYUXXSH-SNVBAGLBSA-N 306.456 3.281 10 10 DGCE C[C@@H]1CSc2ccccc2N(C(=O)/C=C/c2cnccn2)C1 492215244 SFOVKNCKHKMQAU-YBJDMEARSA-N 311.410 3.265 10 10 DGCE CCc1cnc(Sc2nc(C)c(CC(=O)O)s2)s1 2318949334 OERQMVXPDGKRCE-UHFFFAOYSA-N 300.430 3.249 10 10 DGCE Cc1ccc(CN2CCO[C@@H](C)CC2)c(O)c1Br 2327569026 VAGXRSUCGKZRSC-NSHDSACASA-N 314.223 3.074 10 10 DGCE CO[C@H]1CCN(Cc2ccc(C)c(Br)c2O)[C@H]1C 2327801493 SEQFXNPRIPUEAT-JQWIXIFHSA-N 314.223 3.072 10 10 DGCE Cc1ccc(CN2C(=O)[C@H]3CCC[C@H]2C3)c(O)c1Br 2352942912 MKJYGKPGWZPYLR-JQWIXIFHSA-N 324.218 3.364 10 10 DGCE C[C@@H]1Cc2ccccc2[C@H]1NC(=O)NCc1ccc(N(C)C)cc1 111430909 RVWXOMIGAFLOCQ-KUHUBIRLSA-N 323.440 3.485 10 10 DGCE CC(C)(C)OC(=O)N[C@@H](CC(=O)O)c1c(O)cccc1Cl 1951384240 UWHWTJLBQKYQNV-VIFPVBQESA-N 315.753 3.086 10 10 DGCE Oc1ccc(Cl)cc1CNc1cnn(C[C@H]2CCCO2)c1 37137774 JVVQABBLZBQQBF-CQSZACIVSA-N 307.781 3.033 10 10 DGCE c1cc(N2CCOCC2)ccc1CNC[C@@H]1CC[C@@H]2C[C@@H]2C1 403174550 DRAWCMDCJMZFIT-KURKYZTESA-N 300.446 3.049 10 10 DGCE Oc1ccc(F)cc1CNCc1nc(C(F)(F)F)cs1 2360819817 GAKFFMNWIBBFPA-UHFFFAOYSA-N 306.284 3.296 10 10 DGCE Cc1cccc(CNC[C@H](C)N(C)C(=O)OC(C)(C)C)c1O 282962243 IAEUOIKRVZAEFY-ZDUSSCGKSA-N 308.422 3.046 10 10 DGCE CO[C@@H](C)[C@H](C)NCc1ccc(OCc2ccccc2)cc1O 191695395 IHMFFYXGLYTTHS-GJZGRUSLSA-N 315.413 3.484 10 10 DGCE COCCNCc1ccc(N(C)CCC(F)(F)F)cc1C 88432400 QMXSOHMNMDZSAX-UHFFFAOYSA-N 304.356 3.120 10 10 DGCE CC(=O)CCN(C)C(=O)c1cc(C)n(-c2ccccc2C)c1C 135191286 PFYPJZHTGUFILD-UHFFFAOYSA-N 312.413 3.454 10 10 DGCE C[C@H](N)c1ccc(N(C)[C@@H]2CCSC2)cc1Br 235501716 KBQDADQXIAOXEU-GXSJLCMTSA-N 315.280 3.411 10 10 DGCE Oc1c(Cl)cccc1CN1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 245644069 FFESWHLGOBAHRX-SUMWQHHRSA-N 320.864 3.494 10 10 DGCE CC(C)(C)c1ncc(/C=C\C(=O)N2CCc3cnccc32)s1 255767803 GJDCFUFCWFKPSJ-PLNGDYQASA-N 313.426 3.438 10 10 DGCE CCN(CC(C)C)C(=O)/C=C\c1ccc(N2CCOCC2)cc1 255036437 MZMVRAZSQDJQRL-YFHOEESVSA-N 316.445 3.041 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@@H](C)[C@@H](O)c2ccccc2)c1 290183271 FMGAISKWEYJRAR-ZJNRKIDTSA-N 301.386 3.174 10 10 DGCE Cc1sc(/C=C/c2ccc3c(c2)CCN3C)nc1C(=O)O 806572225 BXBHOORNHCGHTB-GQCTYLIASA-N 300.383 3.312 10 10 DGCE C[C@H](NCc1c2c(nn1C)CCCC2)c1ccc(N(C)C)cc1 812737980 UZESJLCUHULBBA-AWEZNQCLSA-N 312.461 3.216 10 10 DGCE CC[C@@H](c1cc(SC(F)(F)F)ccc1O)N1CCNCC1 575275907 XHSRCAFRYTWMLR-LBPRGKRZSA-N 320.380 3.360 10 10 DGCE Cc1ccc([C@@H](C)NCc2c3c(nn2C)CCCC3)c(O)c1C 812736539 GYYILFGGZCJJFW-CQSZACIVSA-N 313.445 3.472 10 10 DGCE Cc1cc(C(=O)CN2CCCCC2)c(C)n1-c1ccc(F)cn1 827377696 CBLHUBZTGKZYJU-UHFFFAOYSA-N 315.392 3.297 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1C[C@@H]2C[C@@H]2C1 823693564 OMOHSPNLHAHCMP-LLLHUVSDSA-N 315.461 3.090 10 10 DGCE CCN(CC)c1ccc(CN2CCC[C@@]3(CCNC3)C2)cc1 843123696 NRRQBBDVHAHOKX-IBGZPJMESA-N 301.478 3.108 10 10 DGCE C/C(=C\c1ccncc1)C(=O)N(C)Cc1ccc(N(C)C)cc1 847304605 WUPVGYRHGVSVKD-FYWRMAATSA-N 309.413 3.210 10 10 DGCE CN[C@H](c1ccccc1O)[C@@H]1C[C@H]1[C@H](C)NC(=O)OC(C)(C)C 1895336035 NWXCOPMTYLEKFL-YYWXWVFPSA-N 320.433 3.202 10 10 DGCE CC[C@H](C)CCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 852450675 RFXDPVWDQIWCCD-LSDHHAIUSA-N 319.449 3.009 10 10 DGCE CO[C@@H](CN(C)c1ccc(-c2nccs2)cc1)[C@H]1CCOC1 852165247 AHUUXXRVNYAMGS-HOCLYGCPSA-N 318.442 3.298 10 10 DGCE COc1ccc(N2CC[C@@H](NCc3sccc3OC)C2)cc1 850346718 IOQNWQJSHSASDL-CYBMUJFWSA-N 318.442 3.134 10 10 DGCE COc1ccc(N2CC[C@@H](Nc3ccc([N+](=O)[O-])s3)C2)cc1 853758167 AVOATTSSUWMFLG-LLVKDONJSA-N 319.386 3.356 10 10 DGCE Cc1nn(C)c(C)c1C[C@@H](C)N[C@H](C)c1cc(F)cc(F)c1O 756615981 YABBQIFONDJEIR-NXEZZACHSA-N 323.387 3.303 10 10 DGCE CN(C)c1ccc(/C=C\CNC[C@]23OCCC[C@H]2C3(F)F)cc1 850380214 QKEBCNFNJJIHBN-ZSSZLNJBSA-N 322.399 3.170 10 10 DGCE Cc1nc(C)c(Br)c(N2Cc3cccc(O)c3C2)n1 866116870 CXFFRYUCAIYKIV-UHFFFAOYSA-N 320.190 3.082 10 10 DGCE COc1ccc(N(C)CCSc2ccncc2)c(OC)c1 930077252 PDIQMIKSZHQGHO-UHFFFAOYSA-N 304.415 3.327 10 10 DGCE COc1ccc(O)c(CNC(=O)c2oc(C(F)F)cc2C)c1 860241795 NSECATTXYXOBBY-UHFFFAOYSA-N 311.284 3.170 10 10 DGCE O=C(CCCOc1cccc(F)c1)N1Cc2cccc(O)c2C1 871201549 WRWKLMPVOLZTPR-UHFFFAOYSA-N 315.344 3.233 10 10 DGCE COc1ccc(O)c(CN[C@@H]2Cc3ccc(Cl)cc3C2)c1 772983792 LYPHNHBOMIUWLU-OAHLLOKOSA-N 303.789 3.311 10 10 DGCE COc1c([N+](=O)[O-])ccc(CN2CC[C@]3(CC[C@H](C)C3)C2)c1O 775054248 MFYKUKOWERIZNS-SJCJKPOMSA-N 320.389 3.321 10 10 DGCE O=C(N[C@H]1CCC[C@@H]2C[C@H]12)c1cc2cc(O)c(O)cc2s1 897963418 ZCCWEDMWKOJKGS-MIMYLULJSA-N 303.383 3.231 10 10 DGCE CC(C)N(C[C@@H](C)O)c1ccc([C@H](C)N)c(Br)c1 691379423 AORMGVCFBYFATR-MNOVXSKESA-N 315.255 3.064 10 10 DGCE C[C@@H](NC(=O)[C@H]1Cc2cc(Cl)ccc2O1)c1ccccc1O 1151886107 VJXOAEGNRYOCSQ-QLJPJBMISA-N 317.772 3.227 10 10 DGCE CCOC(=O)c1cnc(Sc2csc(C(=O)O)c2)s1 2126229341 LZDHWGTWRJVSQO-UHFFFAOYSA-N 315.397 3.231 10 10 DGCE O=C(O)C=Cc1ccc(N2C[C@H]3C[C@@H]3C2)c(Br)c1 1912081615 FBOFCRJGZVDYHE-GHMZBOCLSA-N 308.175 3.003 10 10 DGCE Cc1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N=C2O)o1 440989 LWBGSTXWFXJDIM-UKTHLTGXSA-N 312.350 3.260 10 10 DGCE CCC[C@@H](C)C(=O)NCC1(NCc2ccc(OC)c(C)c2)CC1 1716677538 BEYMEXDJYWXDOI-CQSZACIVSA-N 318.461 3.178 10 10 DGCE Cc1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)sc1C=O 1567777405 VVDCURCGNBMZMH-LBPRGKRZSA-N 316.426 3.426 10 10 DGCE c1ccc(C[C@H]2C[C@H]2NCc2ccc(N3CCOCC3)cc2)cc1 1656529910 PTDWOJQFINZBCY-PZJWPPBQSA-N 322.452 3.244 10 10 DGCE CC[C@@H](C[C@H](NC)c1ccccc1O)NC(=O)OC(C)(C)C 1928473625 CZHFOTSQGSIYKQ-JSGCOSHPSA-N 308.422 3.346 10 10 DGCE COc1ccc(CN[C@@H](CNC(=O)CC(C)C)C(C)C)cc1C 1698957630 XVNFRZSJQKZHNO-KRWDZBQOSA-N 320.477 3.280 10 10 DGCE CC(C)c1ccc(/C=C2/SC(=S)N(C[C@@H](C)O)C2=O)cc1 1858586623 CYAKJJQENCKUOB-GYBQTFJISA-N 321.467 3.392 10 10 DGCE c1ccc(COc2ccc(N3CC[C@H]4NCC[C@@H]4C3)cc2)cc1 1899862559 ULBJTWKIWYPHBS-YLJYHZDGSA-N 308.425 3.454 10 10 DGCE C[C@]1(F)CCCN(c2ccc(CO)cc2Br)C1 1946858731 NEPRQNMUAMCBJW-ZDUSSCGKSA-N 302.187 3.270 10 10 DGCE CC[C@H](NC[C@H]1C[C@H]1NC(=O)OC(C)(C)C)c1ccccc1O 1978008135 FQXYPOQJOFWXTQ-VHDGCEQUSA-N 320.433 3.346 10 10 DGCE C[C@@H](O)c1cc(F)c(N(CCCO)Cc2ccccc2)c(F)c1 1990406715 NDVDJNOCBRCMMM-CYBMUJFWSA-N 321.367 3.407 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1NCc1ccc(F)cc1O 1994521110 SUUMOCAKANEWOP-KBPBESRZSA-N 324.396 3.067 10 10 DGCE Oc1c(Br)cccc1CNC[C@H]1CCCCCO1 2035189700 PPJKLYVMOKMFLR-GFCCVEGCSA-N 314.223 3.204 10 10 DGCE CNCc1ccc(N(CCO)Cc2ccsc2)c(Cl)c1 2171101570 JONWYSVAHHKENE-UHFFFAOYSA-N 310.850 3.120 10 10 DGCE CCOCCCN(C)Cc1cccc(Br)c1O 382780250 FDVXJTBBLCHKOX-UHFFFAOYSA-N 302.212 3.013 10 10 DGCE CN[C@H](C)c1ccc(N(CC(F)F)C2COC2)cc1Cl 2196634178 QTJRGEPJNFGJIS-SECBINFHSA-N 304.768 3.091 10 10 DGCE CC[C@H](N[C@H](CF)COC)c1cc(Br)ccc1O 2053071803 SICVDGDSCHNUQV-PWSUYJOCSA-N 320.202 3.180 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@@H]1NC(=O)C1CC(OCc2ccccc2)C1 2210541693 ZJGUIIRDFMHKEQ-CKUJCDMFSA-N 314.389 3.329 10 10 DGCE CSc1ncc(CNc2cnc(C(F)(F)F)cn2)s1 2208527557 JKCLFBDECKTFHA-UHFFFAOYSA-N 306.338 3.286 10 10 DGCE Nc1ccc(CC[C@@H](O)c2cncc(Br)c2)cc1 2321236882 IFKMZHKDAOUEIU-CQSZACIVSA-N 307.191 3.093 10 10 DGCE Cc1ccc(CN2C(=O)[C@@H](C)C[C@@H]2C)c(O)c1Br 2327801886 VURUCTZQFWTWJS-UWVGGRQHSA-N 312.207 3.220 10 10 DGCE CCOc1c(F)cccc1C(=O)N(C)Cc1ccccc1O 175504157 NLUCQAHSKCKCLT-UHFFFAOYSA-N 303.333 3.202 10 10 DGCE O=C(O)CC1C[C@@H]2CC[C@H](C1)N2Cc1c(O)cccc1Cl 128841472 ZUEIVQMJHBMCDB-YOGCLGLASA-N 309.793 3.263 10 10 DGCE CCCOc1ccc(CN[C@](C)(CCC)C(=O)OC)c(O)c1 184048422 JJOSPXUIRSZNES-QGZVFWFLSA-N 309.406 3.002 10 10 DGCE CCC1(CC)CN(C[C@H](C)C(N)=S)c2ccc(OC)cc2N1 75280912 WYFKAAOJDNKIQA-LBPRGKRZSA-N 321.490 3.408 10 10 DGCE C[C@@H](NCc1cccc(Br)c1O)c1ccncc1 42411764 NTYPNQCQHAYYBL-SNVBAGLBSA-N 307.191 3.401 10 10 DGCE COc1ccc(N2CC[C@@H](NC(C)C)C2)cc1Br 88330767 OWODUYFJLNCQIR-LLVKDONJSA-N 313.239 3.034 10 10 DGCE CN[C@@H]1CCN(c2ccc(OC)c(Br)c2)[C@H](C)C1 88320426 MSIGWHURSTWUCX-GHMZBOCLSA-N 313.239 3.034 10 10 DGCE CCCN(CCC)c1ccc(CN2CCC[C@@H]2C(=O)NC)cc1 92099532 JMKJVOVQTFLEOX-GOSISDBHSA-N 317.477 3.023 10 10 DGCE CCOc1ccc(O)c(CN2CCC(C3CCOCC3)CC2)c1 93705155 KNHFIOFDXSQETF-UHFFFAOYSA-N 319.445 3.430 10 10 DGCE Cc1c(Cl)cccc1S(=O)(=O)N(C)c1ccc(N)cc1 702085601 BZJMSGJWUVHPRZ-UHFFFAOYSA-N 310.806 3.056 10 10 DGCE CS[C@@H](CNCc1c(O)cccc1Br)C1CC1 2212978064 GXLFXJRTGURZPS-ZDUSSCGKSA-N 316.264 3.386 10 10 DGCE C[C@H]1C[C@H](CCNCc2cc(Cl)c(F)cc2O)CCO1 293636721 NPCYLUCRXTVUGS-WDEREUQCSA-N 301.789 3.480 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCO[C@H](CC)C1 817788955 LWYOEGQVGPCGCE-HZPDHXFCSA-N 320.433 3.271 10 10 DGCE CN(C)c1ccc(/C=C/CN2CC[C@H]([C@H]3CCOC3)C2)cc1 835029687 VWCZYYSPNWGCKM-ZFRRBFPSSA-N 300.446 3.124 10 10 DGCE C[C@H](NCCCC1CCOCC1)c1cc([N+](=O)[O-])ccc1O 834818200 IBOCBOKMARYEFN-LBPRGKRZSA-N 308.378 3.158 10 10 DGCE Oc1cc2c(cc1CN1CCC[C@H]([C@@H]3CCOC3)C1)CCC2 747830241 LQOYOAPASUBCRM-DLBZAZTESA-N 301.430 3.129 10 10 DGCE O=C(NCc1ccc(O)cc1O)c1cc(C2CC2)[nH]c1C1CC1 910956593 KVHBVYHZHHUFFT-UHFFFAOYSA-N 312.369 3.111 10 10 DGCE CCCN(CCC)c1ccc(CN2CC[C@H](N)[C@@H](C)C2)cc1 843051706 KSAYTYBGHVUEKG-LPHOPBHVSA-N 303.494 3.482 10 10 DGCE Cc1cc(Cl)cc(CN2CCC([C@@H]3CCNC3)CC2)c1O 843127730 SWMCUSVWEYSGNY-CQSZACIVSA-N 308.853 3.176 10 10 DGCE CCOc1ccc(CN[C@H](C(C)C)C2(CO)CC=CC2)c(O)c1 843432384 CKYPASRAQLECJN-GOSISDBHSA-N 319.445 3.234 10 10 DGCE COc1ccc(O)c([C@@H](C)N[C@H]2C[C@H]3C[C@@H](OC)C[C@H]3C2)c1 845970641 AXKYLRKDEJWWDD-SSZWKKLZSA-N 305.418 3.255 10 10 DGCE COc1ccc(N2CC[C@H](N[C@H](C)c3ccns3)C2)cc1 926679413 DYKGPTOPASQCAB-OLZOCXBDSA-N 303.431 3.081 10 10 DGCE CC(C)=CC[C@@H]1NC(=O)N([C@H](C)c2ccc(N(C)C)cc2)C1=O 924714389 BZAQIZVVUHTPRZ-CJNGLKHVSA-N 315.417 3.090 10 10 DGCE CN(Cc1ccccc1O)C(=O)NC[C@@H]1CC(C)(C)OC1(C)C 927616453 SJLWSYDBDCNIET-AWEZNQCLSA-N 320.433 3.127 10 10 DGCE Cc1cc(CN2C[C@H]3COC[C@]3(C)C2)c(O)c(C(C)(C)C)c1 853565089 AFJLZWOLGJGARC-KXBFYZLASA-N 303.446 3.466 10 10 DGCE Cc1ncc(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)[nH]1 755259472 WSFLJGVRHZETRZ-UHFFFAOYSA-N 322.412 3.098 10 10 DGCE CCN1CCC(CCN[C@H](C)c2cc(F)cc(F)c2O)CC1 756612045 LSNHJBHJHBWESO-GFCCVEGCSA-N 312.404 3.443 10 10 DGCE O=C(/C=C/c1cnc2ccccc2n1)N1CCc2cccc(F)c21 768585526 FLJXCEUOFNCBPK-CMDGGOBGSA-N 319.339 3.371 10 10 DGCE CCN1CC[C@H](N(C)Cc2ccc(N(C)C)c(F)c2)[C@@H](C)C1 769488803 ZOUALUIBYYBDRT-YOEHRIQHSA-N 307.457 3.054 10 10 DGCE C[C@@H](NCCOC(F)(F)C(F)(F)F)c1cc(F)ccc1O 872111079 YRIPPURMLITKQW-SSDOTTSWSA-N 317.229 3.354 10 10 DGCE CCOc1ccc(N2CCN(C(=O)[C@@H](C)CC(C)C)CC2)cc1 1116604020 LPVLXBBHTQLXNO-INIZCTEOSA-N 318.461 3.416 10 10 DGCE CC[C@@H]1OCC[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 795055221 HKDJQFGZPAESBZ-MSOLQXFVSA-N 316.445 3.059 10 10 DGCE CN(C[C@@H]1C[C@@H]1C1CC1)c1ccc(CN)c(Br)c1 698338156 OLVCVLNEZSCXMR-GXTWGEPZSA-N 309.251 3.390 10 10 DGCE CNCc1ccc(N2CC[C@H](P(C)(C)=O)C2)c(Cl)c1 2125222239 FOOLOYLEBFCFHZ-LBPRGKRZSA-N 300.770 3.261 10 10 DGCE C/C(=C/c1cccnc1)C(=O)N1C[C@H](CCN)Cc2ccccc21 1341253816 ALTNLRPSYGHNGB-JBXOJTMHSA-N 321.424 3.039 10 10 DGCE [N-]=[N+]=NC1CCN(C(=O)c2cc(Cl)ncc2Cl)CC1 1912164044 RMRIRZDRTNDGSE-UHFFFAOYSA-N 300.149 3.303 10 10 DGCE CC[C@@H](C)[C@H](C)C(=O)N(C)CCN(C)c1ccc(OC)cc1 1461336852 IULAGHYVSXKDHP-CABCVRRESA-N 306.450 3.272 10 10 DGCE Cc1cccc(-n2ncc(NC(=O)c3cccc(O)c3O)c2C)c1 1469310481 NAFCOKMPRBYQBL-UHFFFAOYSA-N 323.352 3.153 10 10 DGCE Cn1c(Cl)c(Br)c2c(-c3cccnc3)ncnc21 211498154 UHVDGTWOPOBCON-UHFFFAOYSA-N 323.581 3.446 10 10 DGCE COc1nccc2cc(NC(=O)c3cc(O)cs3)ccc12 1635962720 AEZXFDVMPOUDRU-UHFFFAOYSA-N 300.339 3.263 10 10 DGCE COc1ccc2c(c1)C[C@@H](C(C)C)CN2CCC1OCCO1 1643506133 RXXATEXPULTEPD-OAHLLOKOSA-N 305.418 3.093 10 10 DGCE CN(C(=O)/C=C/c1ccc(O)c(O)c1)c1cccc2cc[nH]c12 1642383394 QPIPCZMRVWFNMD-SOFGYWHQSA-N 308.337 3.255 10 10 DGCE CCN(C[C@@H]1CC[C@@H](C2CC2)O1)c1ccc(OC)c(OC)c1 1653749374 LZXPKRLTQKXXLE-HOTGVXAUSA-N 305.418 3.488 10 10 DGCE COc1cccc2c(C(=O)N3Cc4cccc(O)c4C3)coc12 1587932875 CBBMRCURWPHTSB-UHFFFAOYSA-N 309.321 3.303 10 10 DGCE CN(Cc1cc(Cl)cc(Cl)c1O)C[C@H]1CCCNC1 234358003 WAAHQUDJKULCFM-JTQLQIEISA-N 303.233 3.130 10 10 DGCE CC(C)(C)OC(=O)NC[C@H](C1CCC1)[C@H](N)c1ccccc1O 1936986486 IKUWWBCVGVVHFZ-GDBMZVCRSA-N 320.433 3.333 10 10 DGCE CN[C@@H](c1ccccc1O)[C@H](NC(=O)OC(C)(C)C)C1CCC1 1936969341 YAHQGKVIPUIPBV-CVEARBPZSA-N 320.433 3.346 10 10 DGCE OCc1ccc(N2CCS[C@@H]3CC[C@@H]32)c(Br)c1 1946790841 KIHXUZBQWZSOBG-QWHCGFSZSA-N 314.248 3.026 10 10 DGCE CN[C@H]1C(=O)Nc2cc(N(Cc3ccccc3)C3CCC3)ccc21 1946886583 NFWTVLQHKPHQJT-LJQANCHMSA-N 321.424 3.458 10 10 DGCE Cc1cccc(C(=O)NCc2ccc(N)cc2)c1Br 235880529 BNIZJLJXOURSMW-UHFFFAOYSA-N 319.202 3.270 10 10 DGCE C[C@H]1CN(Cc2ccccc2)C[C@H]1NCc1ccc(F)cc1O 1964576580 YKXLYRJKBINRNI-KBXCAEBGSA-N 314.404 3.141 10 10 DGCE CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccc(N)cc2)CC1 1977896257 KRDKZWIHRMYVSH-UHFFFAOYSA-N 319.449 3.148 10 10 DGCE C[C@H](N)c1ccc(N2C[C@H]3C[C@H]2[C@H]2C[C@H]32)cc1Br 2041533878 UTWDGEGATVKERC-LLSOINDXSA-N 307.235 3.313 10 10 DGCE N[C@@H](c1ccccc1O)[C@@H](O)c1cc(C(F)(F)F)cs1 2161214175 IQRVPMURSCLELF-RYUDHWBXSA-N 303.305 3.206 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 362009525 IPXHGYRSHIGURI-CDGCEXEKSA-N 314.212 3.308 10 10 DGCE CCN1CCc2cc([C@@H](NC)c3ncc(Cl)s3)ccc21 2164078583 PPFBBMRELVIPPC-CQSZACIVSA-N 307.850 3.488 10 10 DGCE Cc1ccc([C@@H](C)n2cc(C(=O)OC(C)(C)C)c(O)n2)c(O)c1 2070637565 IAWYDCUIJBKORO-LLVKDONJSA-N 318.373 3.167 10 10 DGCE CCC(CC)n1nc(C)cc1C(=O)Nc1ccc(O)c(O)c1 2063631000 YZWKBJJGPADJFI-UHFFFAOYSA-N 303.362 3.216 10 10 DGCE C[C@@H](c1c(O)cccc1F)n1nc(-c2ccccc2)cc1CN 2070130825 JLCYCILSICYLLO-LBPRGKRZSA-N 311.360 3.463 10 10 DGCE CCCOC1(CNCc2ccc(Br)cc2O)CC1 2047782403 UWBJLYRSXSQFBL-UHFFFAOYSA-N 314.223 3.204 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@@H]32)c(Br)c1 2053731830 YQPHRBFMDJCPND-FEHBXSEYSA-N 307.235 3.313 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@H]32)cc1Br 2053731499 WKYOMPVZTNEWKI-OVBBIOHJSA-N 307.235 3.313 10 10 DGCE OCc1ccc(N2CCC[C@H]2C(F)(F)F)c(Br)c1 2083838646 CMLVNFYQZLVROS-NSHDSACASA-N 324.140 3.473 10 10 DGCE C[C@@](O)(c1cccc(Br)c1)[C@H](N)c1ccccc1O 2091867147 KOFANYWDLBMRLD-HUUCEWRRSA-N 322.202 3.062 10 10 DGCE COc1ccc(N2CCN(Cc3ccccc3)C[C@@H]2C)c(C=O)c1 2214853643 KNKHBVDQVTWNRT-INIZCTEOSA-N 324.424 3.218 10 10 DGCE COC(=O)[C@@](CSc1nccs1)(NC(C)C)C(C)(C)C 2207882163 XCWBZZVGVVZDIY-CQSZACIVSA-N 316.492 3.191 10 10 DGCE Oc1ccc(Br)cc1CN[C@H]1CC[C@@H]2[C@H]1C2(F)F 2308656344 MPGXVXZBADHUTO-JFGNBEQYSA-N 318.161 3.288 10 10 DGCE Cc1ccc(CNCc2ccccc2N)c(O)c1Br 2352695024 YCYQZKQVKCSVIR-UHFFFAOYSA-N 321.218 3.335 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)N(C)c2ccc(F)cc2)c1 176666738 OOXNSAIDLQDRTE-NSHDSACASA-N 318.348 3.447 10 10 DGCE C[C@H](N[C@@H](C)c1ccccc1O)c1ccc(S(C)(=O)=O)cc1 183454517 MEMRDQCVXLRMMR-STQMWFEESA-N 319.426 3.208 10 10 DGCE CN[C@H](C)c1ccc(N(C)CC2CCN(C)CC2)cc1Cl 78928120 LSZBBKVXHFKISL-CYBMUJFWSA-N 309.885 3.398 10 10 DGCE COc1cc(OC)c(NCc2cccc(O)c2O)cc1Cl 41116311 PLAJBTMEFJRGMJ-UHFFFAOYSA-N 309.749 3.381 10 10 DGCE COc1cc(Cl)cc(CN2CC[C@@H](C(F)(F)F)C2)c1O 380076481 IKGGTPKBCIOBGA-SECBINFHSA-N 309.715 3.438 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCC[C@H](F)C1 424693777 JOFXYGLMBGOJMT-STQMWFEESA-N 306.381 3.006 10 10 DGCE CC[C@H](NC1CCN(C(=O)C(C)C)CC1)c1ccccc1O 192841074 QJRBQYGFTKSJEO-INIZCTEOSA-N 304.434 3.080 10 10 DGCE Cc1csc([C@@H]2CN(Cc3ccc(N(C)C)cc3)CCO2)n1 92789692 QCNWFXXOJYMXJT-INIZCTEOSA-N 317.458 3.091 10 10 DGCE Nc1ccc(O)c(CN2CC[C@@H](COCc3ccccc3)C2)c1 383899722 MHOSUHCGJQYAJG-MRXNPFEDSA-N 312.413 3.013 10 10 DGCE CNCc1ccc(N2CC[C@@H](COCc3ccccc3)C2)cc1 384177795 XEGIQFBVHLTVTI-LJQANCHMSA-N 310.441 3.449 10 10 DGCE CC(=O)N(C(=O)OCCCc1ccccc1)c1ccc(N)cc1 243682836 PHTIDCZYKMPSQI-UHFFFAOYSA-N 312.369 3.391 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)Nc1cccc(C(F)(F)F)c1 244220241 VZKFBXBWEQQPDS-UHFFFAOYSA-N 311.259 3.298 10 10 DGCE CC(C)c1ncc2c(n1)CCN(Cc1cc3c(cc1O)CCC3)C2 527613326 PZHVIJPMQSWCRA-UHFFFAOYSA-N 323.440 3.353 10 10 DGCE COc1ccc(O)c(CNC2(c3nc(C)cs3)CCC2)c1 271860945 KGAFUKLQIDXLOX-UHFFFAOYSA-N 304.415 3.335 10 10 DGCE FC(F)(F)c1cccc(CCNCc2ccc3c(c2)CCO3)n1 292966854 LZQRMGAEVWNKKZ-UHFFFAOYSA-N 322.330 3.368 10 10 DGCE C[C@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)C1CC1 726083268 GEKWYQOWIYZTMV-ZDUSSCGKSA-N 314.385 3.496 10 10 DGCE COc1cc(CN2C[C@H](C)C(O)[C@@H](C)C2)c(O)c(C(C)(C)C)c1 827147685 VPDQMHDRGXPXGU-STQMWFEESA-N 321.461 3.147 10 10 DGCE Cc1cc(Cl)cc(CN2CC[S@@](=O)C(C)(C)CC2)c1O 825025202 ZJQKTGSQEBFDCD-HXUWFJFHSA-N 315.866 3.087 10 10 DGCE CN(C)c1ccc(CN(CC2C[C@@H]3CC[C@H](C2)N3)C2CC2)cc1 903880586 UVPCFVIOPDLTRX-AYHJJNSGSA-N 313.489 3.248 10 10 DGCE Cc1cccc(/C=C\C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 588506393 APTOUCJWGUWTAS-LEJCZOIISA-N 311.381 3.167 10 10 DGCE Cc1cc(CC(=O)N2CCC(=O)[C@H](C)C2)c(C)n1-c1ccccc1 832462081 YDDOYRNYSXYVSR-CQSZACIVSA-N 324.424 3.074 10 10 DGCE COC(=O)c1cnc(SCC2C[C@@H]3[C@@H](C2)C3(F)F)s1 917777990 NUZJBLLJXZLXQJ-HTQZYQBOSA-N 305.371 3.313 10 10 DGCE COC(=O)c1cnc(SCC2C[C@H]3[C@H](C2)C3(F)F)s1 917777992 NUZJBLLJXZLXQJ-YUMQZZPRSA-N 305.371 3.313 10 10 DGCE CN(Cc1ccccc1O)C(=O)NCC[C@@]1(C)C[C@@]1(F)Cl 845411365 ANVCQHSOPYGSKQ-GJZGRUSLSA-N 314.788 3.238 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]2CCC[C@@H]2N1CCCN=[N+]=[N-] 1895302471 ZPECTXWCEOOFBM-IHRRRGAJSA-N 323.441 3.455 10 10 DGCE Cc1cc(O)c(CNCc2ccc(N(C)C)nc2)c(Cl)c1 840877447 GTUARWPORZIKGF-UHFFFAOYSA-N 305.809 3.105 10 10 DGCE CC[C@@H](N[C@H]1C[C@@H]2OC(C)(C)O[C@@H]2C1)c1ccc(N(C)C)cc1 927058696 SXWOEGHGYCJYSI-DDBAPUKQSA-N 318.461 3.476 10 10 DGCE Cc1cc(N(C)C)ccc1CN[C@@H]1CC[C@@H]2COCC[C@H]2C1 921748567 XZDJWVVQHINNEU-CGTJXYLNSA-N 302.462 3.356 10 10 DGCE Cc1nc(C(=O)NCc2ccccc2O)c(-c2ccccc2)o1 759959555 VLUDNSVDHPBCMJ-UHFFFAOYSA-N 308.337 3.286 10 10 DGCE Cc1ccc2c(c1)[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)[C@H](C)C2 855903946 IPDPTYKAHJUYSC-ARMZPNDTSA-N 323.392 3.469 10 10 DGCE Fc1cc(CN[C@H]2CCCSCC2)ccc1N1CCOCC1 850424452 KJQUSXXITCYBPB-HNNXBMFYSA-N 324.465 3.038 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H](N)C[C@H]1c1cc(Cl)ccc1O 1952460259 UTOHGQHCBJUQDX-PWSUYJOCSA-N 312.797 3.055 10 10 DGCE C[C@@H](NC1CC(CF)(CF)C1)c1ccc(N2CCOCC2)cc1 850427947 IBKOTJMAHVVKOO-CQSZACIVSA-N 324.415 3.262 10 10 DGCE Cc1cc(N(C)C)ccc1CNC1CC2(COC(C)(C)C2)C1 925082006 SVBSMQYWFKKARC-UHFFFAOYSA-N 302.462 3.498 10 10 DGCE C[C@@H]1CNC[C@H]1N[C@H](CCc1ccccc1)c1ccccc1O 925781607 BDHDXVRXQHPEMR-ATZDWAIDSA-N 310.441 3.264 10 10 DGCE CC[C@@H](C)N(CC)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 854295793 CEVPMVACNGYJKK-HUUCEWRRSA-N 319.449 3.104 10 10 DGCE CC[C@H](NCC[S@](=O)CC(F)(F)F)c1ccc(C)cc1O 850496239 MKUBLIKZUQCLGW-QKVFXAPYSA-N 323.380 3.052 10 10 DGCE O=C(O)/C=C/c1ccc(N2CC[C@@H]3C[C@H]3C2)c(Br)c1 699271877 IDCKPLFFUUCXAD-OURHSOLNSA-N 322.202 3.393 10 10 DGCE CN(C[C@H]1CCc2ccccc21)C(=O)c1c(F)ccc(O)c1O 857334893 FRUBKPITGJVVFL-GFCCVEGCSA-N 315.344 3.039 10 10 DGCE Nc1ccc(NC(=O)c2c(C(F)(F)F)nc3n2CCCC3)cc1 852791139 XVHFMBONQFNEME-UHFFFAOYSA-N 324.306 3.073 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCOC[C@@H]1C 766392098 GPQYEXOPJCXXMW-YJBOKZPZSA-N 318.461 3.162 10 10 DGCE COc1ccc(O)c(CN[C@]2(CO)C[C@H](C)CC(C)(C)C2)c1 777484117 JPSKMQIHEJJXAQ-FZKQIMNGSA-N 307.434 3.068 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCC(C)(C)O2)cc1 782073497 ZKMWDDZWAIHJQH-KRWDZBQOSA-N 318.461 3.449 10 10 DGCE COc1cc(OC)cc(-c2nccn2Cc2ccc(N)cc2)c1 82735816 MRACPIVHPRMVJO-UHFFFAOYSA-N 309.369 3.198 10 10 DGCE c1cc2c(cc1CNC1(c3ccc4c(c3)OCCO4)CC1)CCO2 897862581 LDVWFBJPYDTHCI-UHFFFAOYSA-N 323.392 3.172 10 10 DGCE O=C(N[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21)c1cc2cc(O)c(O)cc2s1 896986773 VLHMXFZEVNACMQ-RVWZERNTSA-N 315.394 3.087 10 10 DGCE C[C@H]1CCC[C@H](C)N1Cc1ccc(N2CCCNCC2)cc1 84857337 NUEJMFGZDUBZMB-IRXDYDNUSA-N 301.478 3.249 10 10 DGCE C[C@@H](O)CCCN1CCCc2cc(OC(F)(F)F)ccc21 789335924 KKVDCZDNGZEKME-LLVKDONJSA-N 303.324 3.499 10 10 DGCE Fc1cccc(CN2CCNc3cc4c(cc32)OCCO4)c1 76936626 OTVCXGYJCBFKAS-UHFFFAOYSA-N 300.333 3.029 10 10 DGCE CC[C@@H](C)N(Cc1ccccc1)c1ccc2c(c1)NC(=O)[C@H]2N 387345290 HNLIKKFPCJCKAZ-ACJLOTCBSA-N 309.413 3.444 10 10 DGCE COc1cc(Br)cc(CN2[C@@H](C)C[C@@H]2C)c1O 793220119 JYPKDPQHAFWEKH-IUCAKERBSA-N 300.196 3.146 10 10 DGCE Oc1c(F)cc(Br)cc1CN[C@H]1CC=CCC1 715747960 XXCBVKFRGFIIII-NSHDSACASA-N 300.171 3.492 10 10 DGCE Cc1cccnc1/C=C\C(=O)Nc1c(Cl)ccc2nonc12 1329519021 PQDZZBJPISQJCQ-SREVYHEPSA-N 314.732 3.232 10 10 DGCE C[C@H](O)CN(Cc1ccccc1)c1ccc(CN)c(C2CC2)c1 1901157930 SEPXHBQFWSDHIH-HNNXBMFYSA-N 310.441 3.410 10 10 DGCE CNCc1ccc(N2CC=CC23CCC3)cc1Br 1914264786 OKJRNBMWHXPQFC-UHFFFAOYSA-N 307.235 3.467 10 10 DGCE CC(C)Oc1ccc(NC(=O)c2c(F)ccc(O)c2O)c(F)c1 1611277983 BXKYRLHILPUECX-UHFFFAOYSA-N 323.295 3.416 10 10 DGCE CCCCC(=O)NC[C@H]1C[C@H](NCc2ccc(OC)c(C)c2)C1 1488813665 XPHKESYPCOKNTJ-QAQDUYKDSA-N 318.461 3.178 10 10 DGCE CC[C@H](c1ccncc1)N(CC)C(=O)Cc1ccc(O)c(O)c1 1634069023 QZSMTZGHXLFUNW-OAHLLOKOSA-N 314.385 3.035 10 10 DGCE COc1ccc(CNC[C@@H](C)NC(=O)[C@H](C)C2CCC2)cc1C 1568999679 WOIKFANBSHXFRF-HUUCEWRRSA-N 318.461 3.034 10 10 DGCE C[C@H](CCO)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 1655157111 OXSTXGTXWJETGB-GFCCVEGCSA-N 314.341 3.009 10 10 DGCE Cc1ccc(C(=O)Nc2c(Cl)ccc3nonc23)nc1C 1586677159 MRMIWFITXKPOAM-UHFFFAOYSA-N 302.721 3.140 10 10 DGCE CCN[C@@H](C)c1ccc(N(CCO)CC(F)F)cc1Cl 231323001 FBDGIZAESROLSI-JTQLQIEISA-N 306.784 3.074 10 10 DGCE COc1cc(C)cc(CN(C)Cc2cccc(N(C)C)c2)c1O 164533455 ZOUDKLBEOZAEAX-UHFFFAOYSA-N 314.429 3.407 10 10 DGCE CN[C@H](c1ccccc1O)[C@H](CC1CC1)NC(=O)OC(C)(C)C 1936977569 WXDPLFHBLCODDU-GOEBONIOSA-N 320.433 3.346 10 10 DGCE CC(C)[C@H]1CCN1c1ccc(CN)c(Br)c1F 1941307300 DDJWLPCKRVWBHH-SNVBAGLBSA-N 301.203 3.282 10 10 DGCE C[C@H]1CCS[C@@H]1CNCc1cccc(Br)c1O 1945610633 SYLPXZLSLUXASW-JOYOIKCWSA-N 316.264 3.386 10 10 DGCE COc1ccc(N(CCCN)Cc2ccccc2)cc1OC 20237585 GJYINJRJJCVVED-UHFFFAOYSA-N 300.402 3.059 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](Nc2c(N)cccc2F)C12CC2 1977664642 NRCNGWHMAKEAAS-ZDUSSCGKSA-N 321.396 3.362 10 10 DGCE CN(C)c1ccc([C@@H](O)C2(C)CN(C(=O)OC(C)(C)C)C2)cc1 1977937489 CAUJPEUCURUMPM-OAHLLOKOSA-N 320.433 3.043 10 10 DGCE CC[C@](N)(c1ccc(N(C)C)cc1)[C@H](C)NC(=O)OC(C)(C)C 1977944238 CJDXXICBMCHQPE-SCLBCKFNSA-N 321.465 3.230 10 10 DGCE CN[C@H](C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1O 1985527835 SLMBSGNSLBLNMY-VNHYZAJKSA-N 320.433 3.346 10 10 DGCE C[C@@H](CCO)N(Cc1ccccc1)c1ccc2c(c1)CC[C@H]2N 1986610561 SMVACBMBLQMRJC-MGPUTAFESA-N 310.441 3.410 10 10 DGCE C[C@H]1[C@@H](NCc2ccc(F)cc2O)CCN1C(=O)OC(C)(C)C 1994524402 KCOWUGDHTWOILK-FZMZJTMJSA-N 324.396 3.019 10 10 DGCE OC[C@@H](C1CC1)N(Cc1ccccc1)c1ccc2c(c1)CC[C@H]2O 2012706271 AKFNBFLRWKDOMS-LEWJYISDSA-N 323.436 3.444 10 10 DGCE CCN[C@H](C)c1ccc(N2CCOC(F)(F)C2)cc1Cl 2152294691 QEDOKXWXRGNFAI-SNVBAGLBSA-N 304.768 3.440 10 10 DGCE CO[C@H]1C[C@@H](N(C)c2ccc([C@H](C)N)cc2Br)C1 2038792103 PREPNNLSQQCJDP-ZMLRMANQSA-N 313.239 3.082 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@H]3C[C@H]2[C@@H]2C[C@@H]32)cc1Br 2041533876 UTWDGEGATVKERC-GQWGITQZSA-N 307.235 3.313 10 10 DGCE C[C@H]1C[C@@H](NCc2ccccc2O)CN(C(=O)OC(C)(C)C)C1 401671429 LOQKQCSSQVFEDY-DZGCQCFKSA-N 320.433 3.127 10 10 DGCE CN[C@H](C)c1ccc(N2CCC=C(Br)C2)cc1O 404336502 DOKNPBHALBKMKW-SNVBAGLBSA-N 311.223 3.162 10 10 DGCE CC(C)(C)[C@H](CCO)NCc1c(O)cccc1Br 706829871 DCNZCDGVPIEKBQ-ZDUSSCGKSA-N 316.239 3.041 10 10 DGCE CN(c1ccc(CN)c(Br)c1)[C@H]1CCCSC1 689583378 AYWZPCNLQFCQEF-LBPRGKRZSA-N 315.280 3.240 10 10 DGCE C[C@H]1CCN(c2ccc(CN)c(Br)c2F)[C@@H]1C 380588288 MSSHOPRUIJWHBL-DTWKUNHWSA-N 301.203 3.282 10 10 DGCE O=C(NCc1cccc(Cl)c1Cl)c1ccc(O)c(O)c1 693713136 XHQAZCYOMMVKAI-UHFFFAOYSA-N 312.152 3.335 10 10 DGCE Oc1c(F)cc(Br)cc1CNCCc1ccoc1 715716714 IHXRBPGRIHGQOW-UHFFFAOYSA-N 314.154 3.219 10 10 DGCE C[C@@H]1C[C@H](CN(C)c2cc(Cl)c(CN)cc2F)[C@@H](C)O1 2177382016 UUILVDIHQBSTGW-CKYFFXLPSA-N 300.805 3.188 10 10 DGCE O=C(O)c1cc(C2CCC2)nn1Cc1cccc(Cl)c1O 2069861524 DJNZNVZPYHWHDW-UHFFFAOYSA-N 306.749 3.256 10 10 DGCE CN1[C@H]2CCC[C@H]1CN(Cc1cc(Cl)cc(Cl)c1O)C2 2187627166 UIPQEFMDRYVAFV-STQMWFEESA-N 315.244 3.368 10 10 DGCE O=C(O)C=Cc1ccc(N2C[C@@H](F)C[C@@H](F)C2)c(Cl)c1 2182599728 WPLPDYVQZMMYMN-PHIMTYICSA-N 301.720 3.324 10 10 DGCE CCOC(=O)c1cnc(Sc2c(F)cc(N)cc2F)s1 2182628953 FHDSIZLNJYBXHC-UHFFFAOYSA-N 316.354 3.331 10 10 DGCE CCC[C@H](COC)N(C)c1ccc(CO)cc1Br 2047304283 MCWCIQOCNHFQCA-GFCCVEGCSA-N 316.239 3.193 10 10 DGCE CNCc1ccc(N2CCC[C@@H]2c2nncs2)cc1Cl 2204719708 BROJHUVJUAMEHI-CYBMUJFWSA-N 308.838 3.252 10 10 DGCE COc1ccc(Br)c(CN[C@H]2C[C@@H]2C(C)C)c1O 2220462699 PTFUYLGGLGEZSA-SKDRFNHKSA-N 314.223 3.297 10 10 DGCE CSc1ncc(CNC[C@H]2CC[C@](C)(CO)C2(C)C)s1 2284727791 NBTRCNLVUZHSGM-IAQYHMDHSA-N 314.520 3.389 10 10 DGCE CSc1ncc(Cn2c(=N)[nH]c3cc(C)c(C)cc32)s1 2284702607 IXSHQKJFMGRRNK-UHFFFAOYSA-N 304.444 3.292 10 10 DGCE Oc1c(Br)cccc1CN1C[C@@H]2C[C@H]1C(F)(F)C2 2308475902 SZWYMHUIJZDMEU-KCJUWKMLSA-N 318.161 3.384 10 10 DGCE Cc1ccc(CN[C@@H]2[C@H]3C[C@@H]3[C@H]3C[C@@H]23)c(O)c1Br 2327613219 SNYAUHOCMGRUKT-SSKLVLDBSA-N 308.219 3.207 10 10 DGCE CC[C@H](CCN)N(C)Cc1ccc(C)c(Br)c1O 2327603791 SXTICHKCVLTOSJ-GFCCVEGCSA-N 315.255 3.022 10 10 DGCE Cc1ccc(CNC2C3(CC3)C23CC3)c(O)c1Br 2327799430 VMZMDQKLTBJSJY-UHFFFAOYSA-N 308.219 3.495 10 10 DGCE O=C(O)[C@H]1C[C@@H]2CC[C@H]1N2Cc1cc(Cl)cc(Cl)c1O 2354266728 QROFIXVWPYSYSB-JBLDHEPKSA-N 316.184 3.137 10 10 DGCE CC1CCN(c2ccc(CNC(=O)C3=COCCC3)cc2)CC1 108295944 UYIXNHVAHFGWHP-UHFFFAOYSA-N 314.429 3.233 10 10 DGCE C[C@H](N)c1ccc(N2C[C@@H](C)OC[C@H]2C)cc1Br 300521489 XIOLPUGYDAZPHK-MXWKQRLJSA-N 313.239 3.082 10 10 DGCE O=C1NC(=S)S/C1=C\c1ccc(F)cc1OC(F)(F)F 179528624 YWFSWOHMTDTKSP-BAQGIRSFSA-N 323.292 3.213 10 10 DGCE O=C(/C=C/c1cccc2cccnc12)N1CCOc2ccncc21 174922581 RCEQCROKIQOKPP-VOTSOKGWSA-N 317.348 3.069 10 10 DGCE CC[C@@H](NCc1cn[nH]c1)c1cc(Br)ccc1O 38005842 ONYGVGSCMGEWKM-GFCCVEGCSA-N 310.195 3.119 10 10 DGCE Cc1nn(C)c(C)c1C[C@@H](C)N[C@H](C)c1ccc(F)c(F)c1O 187735629 LMKDNNFYOONJCG-NXEZZACHSA-N 323.387 3.303 10 10 DGCE Cc1ccc([C@H](CCC(=O)O)NC(=O)OC(C)(C)C)c(O)c1 1951657352 MCPRAOJSXPKPRY-LBPRGKRZSA-N 309.362 3.131 10 10 DGCE Oc1ccccc1CNc1nc(Cl)ncc1Br 229337788 UNMHROXWKNFETG-UHFFFAOYSA-N 314.570 3.210 10 10 DGCE COc1ccc(N2CCN[C@@H](c3ccccc3)C2)cc1Cl 86130046 BZFBQAGKZAIBKL-MRXNPFEDSA-N 302.805 3.500 10 10 DGCE COC(=O)Nc1nc2ccc(Sc3nccs3)cc2[nH]1 145321778 JEXLMHXGNFKDOO-UHFFFAOYSA-N 306.372 3.349 10 10 DGCE CC(C)CN(CC(C)C)c1cc2c(cc1Cl)[C@@H](N)C(=O)N2 92750701 UIDVPEIMYUEMTE-OAHLLOKOSA-N 309.841 3.410 10 10 DGCE CCCN(Cc1ccccc1)C(=O)[C@H]1CNc2ccccc2N1 383542597 DYINNOUQYVKOCY-GOSISDBHSA-N 309.413 3.331 10 10 DGCE CCN(CCN[C@H](C)c1c(O)cccc1O)C(=O)OC(C)(C)C 233443514 HNCUNFXBRHKDOJ-GFCCVEGCSA-N 324.421 3.005 10 10 DGCE COc1ccc(CN(C)[C@H](C)Cc2ccc(O)cc2)c(O)c1 93324925 LAKNDVSIRBUVOK-CYBMUJFWSA-N 301.386 3.169 10 10 DGCE CN(C)c1ccc(CN[C@H]2CCCCCC[C@H]2C(=O)O)cc1 277315551 NPNWPJANMFTZJD-SJORKVTESA-N 304.434 3.266 10 10 DGCE CCOc1ccc(O)c(CN[C@@H]2CCO[C@H](CC(C)C)C2)c1 271952786 FATGXXDIXAAZMG-NVXWUHKLSA-N 307.434 3.474 10 10 DGCE CN1CCCc2cc(CNC(=O)c3cc[nH]c3C3CC3)ccc21 284007457 QOGBFRJKQNHSIX-UHFFFAOYSA-N 309.413 3.205 10 10 DGCE C[C@]12C[C@H]1CCC[C@H]2NCc1ccc(N2CCOCC2)c(F)c1 800475431 BTEQNFXBKCIUGH-LZQZEXGQSA-N 318.436 3.331 10 10 DGCE CN(Cc1ccc(N2CCCCC2)cc1)C[C@@H]1CC[C@H](N)C1 903440717 AMNCUCXPGAUNHU-MSOLQXFVSA-N 301.478 3.236 10 10 DGCE Cc1cnccc1/C=C\C(=O)NCc1ccc(N2CCCC2)cc1 822495369 HAGRNEQEZWFHNQ-TWGQIWQCSA-N 321.424 3.320 10 10 DGCE CCN(CC)c1ccc(CN2CC3(CCOCC3)C2)cc1F 839140963 LBSDXEIJVPUPRZ-UHFFFAOYSA-N 306.425 3.284 10 10 DGCE C[C@H](NC/C=C\c1ccc(N(C)C)cc1)[C@@H](O)Cc1ccccc1 835040764 GWDVLUPFXYYQRS-QCYFGELBSA-N 324.468 3.348 10 10 DGCE C[C@@H](NS(=O)(=O)CCC(C)(C)C1CC1)c1ccccc1O 919120056 VCBUKKTUMNFYFD-GFCCVEGCSA-N 311.447 3.199 10 10 DGCE COc1cccc([C@H](C)N[C@H]2COc3ccc(F)cc3C2)c1O 846173323 RBNRFVOOALFJGD-SMDDNHRTSA-N 317.360 3.194 10 10 DGCE Cc1cc(O)c(CN2C[C@H](N3CCCC3)C[C@@H]2C)c(Cl)c1 840948012 JIXYPYLQJQYIJB-UONOGXRCSA-N 308.853 3.413 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H](N)[C@H]1c1ccc(Cl)cc1O 1952309406 VKPWFSRMHWUECL-DGCLKSJQSA-N 312.797 3.055 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCC[C@H]2C[C@H]21 852564787 SFTSZFFAZYCPDZ-XYJFISCASA-N 315.461 3.330 10 10 DGCE c1csc(SCCCNCc2ccnn2C2CCC2)n1 921753610 DZHMOGIVXPTAMQ-UHFFFAOYSA-N 308.476 3.337 10 10 DGCE CCN(Cc1cc(CO)ccc1F)c1ccc(OC)c(OC)c1 859176597 XYBVUXQLUYSCQE-UHFFFAOYSA-N 319.376 3.362 10 10 DGCE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1c1cccc(N)c1O 1953065975 FMCYDOSAFMEWOT-NSHDSACASA-N 314.332 3.292 10 10 DGCE CN(Cc1ccccc1O)C(=O)NCC[C@@H]1CC1(Cl)Cl 856948571 RJXMPLIWBAKCNN-LLVKDONJSA-N 317.216 3.118 10 10 DGCE CCCCSCCC(=O)NCc1ccc2cccnc2c1O 862028373 WWFKNDLGALWROP-UHFFFAOYSA-N 318.442 3.480 10 10 DGCE CN(C)c1cc(F)c(CN2CCC[C@]3(CCCOC3)C2)cc1F 862248054 GRGRBAZQVOIUQA-SFHVURJKSA-N 324.415 3.423 10 10 DGCE CCOCc1cc(CNCc2cc(C3CC3)no2)ccc1OC 886272514 RHLOVDQAFQCQNJ-UHFFFAOYSA-N 316.401 3.387 10 10 DGCE C[C@@H](N)c1ccc(N2CC(OCC(F)(F)F)C2)cc1Cl 707639802 GQDHAGKRPGACHC-MRVPVSSYSA-N 308.731 3.127 10 10 DGCE CN(CCOC(C)(C)C)c1ccc(CO)cc1Br 708499099 HZJDHTIQJMVGSX-UHFFFAOYSA-N 316.239 3.193 10 10 DGCE C[C@H](O)c1ccc(N2C[C@@H]3[C@H](C2)C3(F)F)cc1Br 715519763 COBWCZFMOIYXTD-BKDNQFJXSA-N 318.161 3.204 10 10 DGCE C[C@H](CC(=O)NCc1ccc2cccnc2c1O)n1cccc1 1162607078 HMTYXIWHNKLCLK-CYBMUJFWSA-N 309.369 3.009 10 10 DGCE COC(=O)c1cnc(NCc2ccc(N(C)C)cc2)c(Cl)c1 1162009675 FBYWVWQYUQJKLV-UHFFFAOYSA-N 319.792 3.200 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CCC[C@@H](F)C1 1348976928 CICAMTFGIITISI-UONOGXRCSA-N 305.393 3.416 10 10 DGCE CCc1ccnc(CNCc2cccc(Br)c2O)c1 1912370446 OKAJYIRBXJHEAG-UHFFFAOYSA-N 321.218 3.402 10 10 DGCE CC(C)(C)OC(=O)NCCC1CCN(c2ccc(N)cc2)CC1 215971829 WCEMQMFVLUJINZ-UHFFFAOYSA-N 319.449 3.400 10 10 DGCE O=C(NC[C@@H]1CCC[C@H]1c1ccccc1)c1cccc(O)c1O 1298514748 ZIURPFJMXNWWDH-GJZGRUSLSA-N 311.381 3.412 10 10 DGCE C[C@H](Oc1ccccc1Cl)C(=O)NCc1c(O)cccc1F 1456101582 SRNLGILEDVZMLP-JTQLQIEISA-N 323.751 3.268 10 10 DGCE O=C(NCc1c(O)cccc1F)c1sccc1-n1cccc1 1456082587 AZJLWDOXKRXCKG-UHFFFAOYSA-N 316.357 3.314 10 10 DGCE O=C(NCc1cccc(Cl)c1O)[C@@H]1Cc2ccccc2S1 1606860508 OGDDXVZMDLHVRO-AWEZNQCLSA-N 319.813 3.379 10 10 DGCE CO[C@@]1(C)C[C@H]1NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C 1642009463 WVTFPVSPGKQPLC-MJGOQNOKSA-N 312.413 3.310 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)c1coc(C(F)F)c1 1643285280 VUFBLZZKDSVRKX-UHFFFAOYSA-N 318.279 3.401 10 10 DGCE Cc1nccc2c(NC(=O)Cc3ccc(O)c(O)c3)cccc12 1645112781 FOSFJZRFQKEWRH-UHFFFAOYSA-N 308.337 3.136 10 10 DGCE CCC(CC)C(=O)N[C@@H](C)[C@@H](C)NCc1ccc(OC)c(C)c1 1733965589 VZRXMOVREHOUDG-CABCVRRESA-N 320.477 3.423 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCC[C@H](C)C1 1673738103 UYHINURUDMNYPD-HOCLYGCPSA-N 317.477 3.434 10 10 DGCE Cc1cc(F)ccc1[C@H](C)NC(=O)NCc1ccccc1O 1685076221 DLWRLEZNLWYGMT-LBPRGKRZSA-N 302.349 3.400 10 10 DGCE Oc1c(Cl)cccc1CNc1ccc(-n2cccn2)nc1 164972061 FQVMDGCLHPVSJB-UHFFFAOYSA-N 300.749 3.238 10 10 DGCE COCCNCc1ccc(N2CCCC2)cc1C(F)(F)F 167336902 KCDNADCWUDHMTE-UHFFFAOYSA-N 302.340 3.042 10 10 DGCE CCOc1cccc(CN2CCC(CN3CCCC3)CC2)c1O 156012594 XNKWHGZTFWGMOA-UHFFFAOYSA-N 318.461 3.099 10 10 DGCE Nc1ccc(CC(=O)N2CCc3c(Cl)cccc3C2)cc1 157017694 UXQPFEBZCRNRFJ-UHFFFAOYSA-N 300.789 3.050 10 10 DGCE COc1ccc(C2=NN(C)C(=O)/C2=C/c2ccccc2C)cc1 1865680501 MOSWRAOVSOYPLP-SFQUDFHCSA-N 306.365 3.263 10 10 DGCE C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(CCCN=[N+]=[N-])C1 1962304124 LQYXYWMDZIUJCA-QWHCGFSZSA-N 311.430 3.312 10 10 DGCE Nc1ccc(CNC(=O)c2ccc(F)c(Br)c2)cc1 236357075 SKAGZAFVENODAM-UHFFFAOYSA-N 323.165 3.100 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2Cc1scnc1Cl 878319128 KOFVDUNLEJVSKR-UHFFFAOYSA-N 309.822 3.262 10 10 DGCE CN(CCCC(F)F)c1ccc(CN)cc1Br 2001739911 WXWUPMKTRUSLJQ-UHFFFAOYSA-N 307.182 3.389 10 10 DGCE CO[C@H]1C[C@@H](CCNCc2cccc(Br)c2O)C1 1974338822 JMJPBXFYKOVJIZ-KLPPZKSPSA-N 314.223 3.059 10 10 DGCE C[C@H](N)c1cnc(Sc2nnc(C3CC3)n2C2CC2)s1 2159809022 JAYXSMXLSGTUDD-ZETCQYMHSA-N 307.448 3.118 10 10 DGCE CCOC[C@H]1CCCN(c2cc(Cl)c(CN)cc2F)C1 2177377060 KGTZSDKHLOPRAJ-NSHDSACASA-N 300.805 3.191 10 10 DGCE CCN[C@@H](C)c1ccc(N(C)Cc2cnsn2)c(Cl)c1 2167126944 ZEFHUDOFRCHXCN-JTQLQIEISA-N 310.854 3.498 10 10 DGCE CC(C)NCc1ccc(N(C)Cc2cnsn2)cc1Cl 2167119499 ZWQGZKBDBZWNOJ-UHFFFAOYSA-N 310.854 3.326 10 10 DGCE CO[C@@H](C)CCN(C)Cc1cc(Br)cc(C)c1O 2059355634 FEBGPBGFWPCAOU-NSHDSACASA-N 316.239 3.320 10 10 DGCE CP(C)(=O)[C@H]1CCCN(c2ccc(CN)c(Cl)c2)C1 2103089741 GSVHNZYBPSLPSJ-ZDUSSCGKSA-N 300.770 3.390 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)c2ccc(Br)nc2)CC1 2099341873 QIJAOXGKNNGYDM-JTQLQIEISA-N 324.182 3.149 10 10 DGCE CSc1ncc(CNCc2cc(F)cc([N+](=O)[O-])c2)s1 2284503478 COGKLSABXCNHFG-UHFFFAOYSA-N 313.379 3.202 10 10 DGCE C[C@@H](NC(=O)C=Cc1ccc(O)c(O)c1)c1ccc(F)cc1F 2307982117 OQHGNBZXPCRYLO-SNVBAGLBSA-N 319.307 3.267 10 10 DGCE Cc1ccc(CN(CCCN)C(C)C)c(O)c1Br 2327551350 DNNOXNMAWSTXCG-UHFFFAOYSA-N 315.255 3.022 10 10 DGCE Cc1ccc(CNC[C@]2(C)CCCO2)c(O)c1Br 2327623050 CUYDFXMALNDBAG-AWEZNQCLSA-N 314.223 3.122 10 10 DGCE COc1cccc2c1N(C(=O)/C=C/c1cncc(F)c1)CCC2 104370634 DQCSKGFXANOKSQ-BQYQJAHWSA-N 312.344 3.222 10 10 DGCE C[C@H]1CN(c2ccc([C@H](C)N)cc2Br)[C@H](C)CO1 109567274 YGKQBZDYTCPKSZ-VWYCJHECSA-N 313.239 3.082 10 10 DGCE COc1ccc(CN2CCc3[nH]c4ccccc4c3C2)c(O)c1 179850155 NLZWCVYWWVDHHC-UHFFFAOYSA-N 308.381 3.440 10 10 DGCE Cc1ccc(O)c([C@@H](C)NCCCc2nc(C(C)C)no2)c1 185319151 TXRFEKACPZJTFB-CYBMUJFWSA-N 303.406 3.490 10 10 DGCE COC(=O)[C@@H]1CCCCN1Cc1ccc(N2CCCCC2)cc1 122275533 QMRGEGOQTJRQBL-SFHVURJKSA-N 316.445 3.204 10 10 DGCE CC(C)NCc1ccc(N(C)[C@@H](C)CO)cc1C(F)(F)F 122659455 LZCCDCQPPQKCKO-NSHDSACASA-N 304.356 3.020 10 10 DGCE O=C(O)c1nc2ccccn2c1/N=N\c1ccc2c(c1)OCO2 71581110 RPBRBNBIWAIOHL-ZCXUNETKSA-N 310.269 3.177 10 10 DGCE COc1cccc(CN2CCC[C@@H](c3nccs3)C2)c1O 92788820 UQIWHXFNXCPOCN-CYBMUJFWSA-N 304.415 3.237 10 10 DGCE Cc1ccc([C@H](C)N[C@@H]2CCO[C@@]3(CCSC3)C2)c(O)c1 248532164 YHTOZPGJOFFGBG-VBQJREDUSA-N 307.459 3.406 10 10 DGCE CC[C@H](NC[C@@H](O)c1ccccc1OC)c1ccc(C)cc1O 280156494 QMRQNQCGVABOJD-FUHWJXTLSA-N 315.413 3.484 10 10 DGCE CC(C)(C)C[C@H](O)CC(=O)NCc1ccc(N2CCCC2)cc1 291502558 PGGGFDWFXQLART-QGZVFWFLSA-N 318.461 3.090 10 10 DGCE COc1ccc(O)c([C@H](C)Nc2nc([C@H](C)OC)ns2)c1 800848776 CHOSZWZBBXMQTI-IUCAKERBSA-N 309.391 3.133 10 10 DGCE OCC[C@@H]1CCCCCN1Cc1cc(Cl)c(F)cc1O 816603166 AWKFNDGYBSADHW-LBPRGKRZSA-N 301.789 3.312 10 10 DGCE Cc1csnc1CNCc1cccc(Br)c1O 1947788925 IVAMITSLNCBSGT-UHFFFAOYSA-N 313.220 3.209 10 10 DGCE CN(C)CC1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 835025049 GBFSXYOKKARYRF-WAYWQWQTSA-N 301.478 3.039 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H](C)CC[C@@H]1C 745828141 OMGHPAQNOJTUFC-ZFWWWQNUSA-N 303.450 3.391 10 10 DGCE CCN(CC)c1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1 1951392181 XYABMCXTFUHKSK-AWEZNQCLSA-N 322.405 3.183 10 10 DGCE COc1cccc(O)c1CN[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C1 842783567 FTVYOOVKLDXIMN-QWHCGFSZSA-N 321.417 3.001 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2Cc1cnc(Cl)c(F)c1 846836357 DHTSWIZXUWKSOZ-UHFFFAOYSA-N 321.783 3.339 10 10 DGCE Cc1cc(F)ccc1C[C@@H](C)NCc1cc2c(cc1O)OCO2 850350076 NTTZIKONRKUASF-GFCCVEGCSA-N 317.360 3.289 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)NCCC1CC(OC)C1 854249783 GZUKISBSDLFLCU-UHFFFAOYSA-N 320.433 3.129 10 10 DGCE CC[C@@H](NCc1ccc2oc(=O)n(C)c2c1)c1ccccc1O 858540010 SKEYSRQASARJSI-CQSZACIVSA-N 312.369 3.078 10 10 DGCE O=C(NCCCSc1nccs1)N[C@H]1C[C@H]2CC[C@H]1C2 759581837 MVAGHODFWMNPFX-SRVKXCTJSA-N 311.476 3.113 10 10 DGCE Cn1ccc2c([C@H]3[C@@H](N)CCN3C(=O)OC(C)(C)C)cccc21 1952356185 OQBOPFAWLYFTOA-HOCLYGCPSA-N 315.417 3.188 10 10 DGCE CO[C@@](C)(Cc1ccc(N)cc1)[C@H](C)NC(=O)OC(C)(C)C 1952943480 PKOZXRNKGPURSP-SJCJKPOMSA-N 308.422 3.130 10 10 DGCE Nc1ccc(NC(=O)NCCSCCC(F)(F)F)cc1 868164040 UHUNXAVNQYLWEX-UHFFFAOYSA-N 307.341 3.076 10 10 DGCE CC1(C)[C@H](C(=O)NCc2ccc(O)c(O)c2)[C@H]1c1ccccc1 866769775 PCQCCYMSLQRMPX-SJORKVTESA-N 311.381 3.154 10 10 DGCE CCCCOc1ccccc1NC[C@H](O)C[C@](C)(O)C1CC1 872210492 BMWRFVTWXGFUIW-QAPCUYQASA-N 307.434 3.189 10 10 DGCE Cc1cc(C(=O)OCCC2(O)CC2)c(C)n1-c1ccc(F)cc1 785645888 JDVRUPPVGJIDEI-UHFFFAOYSA-N 317.360 3.305 10 10 DGCE CC[C@@H]1C[C@H]1NC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 1155863307 HNFMRHBMHJURLX-RDTXWAMCSA-N 310.397 3.435 10 10 DGCE Oc1cccc(F)c1CN[C@H]1CC[C@H]1OCc1ccccc1 1958778080 AAJXLZVGBFZDGV-FUHWJXTLSA-N 301.361 3.369 10 10 DGCE COc1ccc(CNCCN(C)C(=O)C(C)(C)C(C)C)cc1C 1267378413 SJFIHNKIZAJSGQ-UHFFFAOYSA-N 320.477 3.234 10 10 DGCE C[C@H](CCc1cccc(F)c1)C(=O)NCc1cccc(O)c1O 1347234879 RKTNHTQWCXYPCG-GFCCVEGCSA-N 317.360 3.122 10 10 DGCE C[C@@H](CN1CCC[C@H](N=[N+]=[N-])C1)C(=O)OCc1ccccc1 1912153372 GEEPDNCXIHKASM-ZFWWWQNUSA-N 302.378 3.141 10 10 DGCE CCSc1ccc(C(=O)NCc2cc(Cl)ccc2O)cn1 1452945303 LUCVQEXUXRIHMM-UHFFFAOYSA-N 322.817 3.483 10 10 DGCE C/C(=C\c1cccnc1)C(=O)N1CCCc2ccc([N+](=O)[O-])cc21 1537380807 JOCOWTXKQIXZRT-JLHYYAGUSA-N 323.352 3.373 10 10 DGCE CC/C(C)=C(/C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 1539707386 RDXPSTGOAUOBCN-OUFNUQFJSA-N 317.477 3.218 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2cc(C)c3ccccc3n2)c1 1470255386 VCJIQZKPCGFPQQ-UHFFFAOYSA-N 306.365 3.487 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1cncc2[nH]ccc12 1629959601 HFXIAGORLFUIFR-UHFFFAOYSA-N 309.369 3.321 10 10 DGCE CCN(CC)c1ccc(CNC(=O)c2cc(C)ccc2O)cc1 1625014668 QZIQCJWSOAJLJM-UHFFFAOYSA-N 312.413 3.477 10 10 DGCE C[C@H](CC(=O)NCc1cc(O)ccc1O)c1ccccc1F 1637125646 AHOAMOUIOMYMOW-LLVKDONJSA-N 303.333 3.047 10 10 DGCE Oc1cccc(Cl)c1CNCc1ncoc1C(F)(F)F 1924953192 CRBXQLYVUSZFBJ-UHFFFAOYSA-N 306.671 3.342 10 10 DGCE C/C(=C\c1ccccn1)C(=O)NCc1cc(Cl)ccc1O 1640924626 QADKPDIIULCZFZ-DHZHZOJOSA-N 302.761 3.160 10 10 DGCE Cc1ccccc1NCCC(=O)NCc1cccc(Cl)c1O 1648606159 JSRBYSCTZWKODU-UHFFFAOYSA-N 318.804 3.472 10 10 DGCE CC(C)CN(C[C@H](N)c1ccccc1O)C(=O)OC(C)(C)C 1928474044 IIIZEBDCJRCCBB-AWEZNQCLSA-N 308.422 3.285 10 10 DGCE C[C@@]1(C(=O)NCc2ccc(O)c(O)c2)CCCc2ccccc21 158992339 POKGPEODWDTRHZ-LJQANCHMSA-N 311.381 3.008 10 10 DGCE CCCN(C)c1ccc(CNCCOC)c(C(F)(F)F)c1 167351919 IHLFPMHSPAFXNR-UHFFFAOYSA-N 304.356 3.288 10 10 DGCE Cc1cc(NS(=O)(=O)c2cccc(Cl)c2)c(C)cc1O 235897483 RFXTZSIHVNHFRR-UHFFFAOYSA-N 311.790 3.463 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N(C)c1ccc(N)cc1 1977950740 JTLIPRSHJBORFX-CZUORRHYSA-N 319.449 3.351 10 10 DGCE C[C@@H](O)CN(Cc1ccccc1)c1ccc2c(c1)CCC[C@@H]2O 1986598754 AKFCMLSYWSFWDF-QRWLVFNGSA-N 311.425 3.444 10 10 DGCE C[C@H]1CC[C@@H]1N(C)c1cc(Br)c(CN)cc1F 1998771879 PZXUJBMVXQOPCP-UFBFGSQYSA-N 301.203 3.282 10 10 DGCE COCCNCc1ccc(N2CC[C@](C)(F)C2)cc1Cl 2152317505 MHZRGJMMJAUTMA-HNNXBMFYSA-N 300.805 3.014 10 10 DGCE N[C@@H](c1ccccc1O)[C@H](O)c1cc(Cl)sc1Cl 2031158829 KDGQKACPEASCDA-WDEREUQCSA-N 304.198 3.494 10 10 DGCE CN(C[C@H]1CC1(F)F)c1cc(Br)c(CN)cc1F 2036086692 DIQCCDZPCZGEFQ-MRVPVSSYSA-N 323.156 3.138 10 10 DGCE Nc1ccc(CCc2nc3c(Br)cncc3[nH]2)cc1 311465081 WUYZKJSRANYJIF-UHFFFAOYSA-N 317.190 3.088 10 10 DGCE Oc1ccc(Cl)cc1CNCc1cc2c(s1)CCOC2 2159480827 CNYAEUVXVCMWOQ-UHFFFAOYSA-N 309.818 3.470 10 10 DGCE CN(Cc1ccsn1)c1ccc(CN)cc1Br 705699329 SAAXXCBDKIZIOB-UHFFFAOYSA-N 312.236 3.001 10 10 DGCE CS[C@H]1CCCN(c2ccc(CN)c(C(F)(F)F)c2)C1 382988588 XEUHUOZXOJUHJA-LBPRGKRZSA-N 304.381 3.496 10 10 DGCE COC(=O)c1cc(C2CCC2)nn1[C@@H](C)c1ccc(F)cc1O 2069967393 JJUPGYVEWSWQHD-JTQLQIEISA-N 318.348 3.391 10 10 DGCE Cc1cccc(Cn2nc(Cl)c(N)c2C(F)(F)F)c1O 2079212306 PIAUNHWNSOUSHO-UHFFFAOYSA-N 305.687 3.200 10 10 DGCE C[C@@H](O)c1ccc(N2CC[C@H](c3nncs3)C2)c(Cl)c1 2196553832 HLNUZDPPADSVRI-KOLCDFICSA-N 309.822 3.239 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN1CCc1ccc(Br)cn1 2059061059 VPPVCEUZLMJOJR-LBPRGKRZSA-N 310.199 3.161 10 10 DGCE CN(C[C@H]1C[C@](C)(F)C1)c1ccc(CN)cc1Br 2077735015 GMSHXMPZOXRSSW-YEORSEQZSA-N 315.230 3.482 10 10 DGCE Cc1cc(N2C[C@](C)(F)[C@@](C)(Br)C2)ccc1CO 2084857541 VLZJNYXPQSUKQD-KBPBESRZSA-N 316.214 3.189 10 10 DGCE C[C@H](c1ccccc1O)N(C)CCn1cc(Br)cn1 2087055006 XDKFBNQVGKTBSJ-LLVKDONJSA-N 324.222 3.044 10 10 DGCE Cc1oncc1CCNCc1cc(Cl)cc(Cl)c1O 2089786664 MYNMDOVURUZXPC-UHFFFAOYSA-N 301.173 3.328 10 10 DGCE Cc1cc([C@H](C)N)ccc1N1CC2(CN(Cc3ccccc3)C2)C1 2217348710 ORZAZFLGCYFVRZ-KRWDZBQOSA-N 321.468 3.337 10 10 DGCE C[C@H](N)c1ccc(N(C)CC2(F)CCOCC2)c(Cl)c1 2238276662 JHIWZFIXJSUXKY-NSHDSACASA-N 300.805 3.315 10 10 DGCE CC[C@H](C)N(C)Cc1c(Br)ccc(OC)c1O 1231549469 BANWRFQPFWFCTI-VIFPVBQESA-N 302.212 3.394 10 10 DGCE COc1cccc(N=Nc2c(CC(=O)O)nc3ccccn23)c1 2320767558 IMSRKWHJPCYEBU-UHFFFAOYSA-N 310.313 3.385 10 10 DGCE Cc1ccc(CNC2(C(F)F)CC2)c(O)c1Br 2307479222 GMOZXLFYOYDOCZ-UHFFFAOYSA-N 306.150 3.350 10 10 DGCE Cc1ccc(CNC(=O)C[C@H]2CC23CC3)c(O)c1Br 2352947175 GWJFPSMDWSNMKQ-NSHDSACASA-N 324.218 3.270 10 10 DGCE CCCCCC[C@H](C)NC(=O)CN(C)Cc1ccccc1O 109772476 ZRNXQXLQWLNBFV-HNNXBMFYSA-N 306.450 3.299 10 10 DGCE CCN(CC)c1ccc(CN(C)[C@H](C)c2cnn(C)c2)cc1 180971155 DSAQPHMRHYUHRR-OAHLLOKOSA-N 300.450 3.459 10 10 DGCE CN[C@H](C)c1ccc(N(C)Cc2snnc2C)cc1Cl 2360901409 ZJXKGNZLTBZSCQ-SECBINFHSA-N 310.854 3.417 10 10 DGCE CC1=NNC(=O)/C1=C\c1ccc(-c2nc3ccccc3s2)o1 33324223 CBKQINRARGUYBE-FLIBITNWSA-N 309.350 3.445 10 10 DGCE Oc1ccc(F)cc1CN1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F 180287049 KLASXULQUTVEGO-XJKSGUPXSA-N 323.314 3.117 10 10 DGCE CC[C@@H](NCc1nnc2ccccn12)c1ccc(N(C)C)cc1 183806369 SLVQBYFVNQMWHG-MRXNPFEDSA-N 309.417 3.036 10 10 DGCE Cc1cc(NS(=O)(=O)[C@H]2CCCC[C@H]2F)cc(C)c1O 2366472982 XKZMGUZOINQJFG-OLZOCXBDSA-N 301.383 3.031 10 10 DGCE NCc1ccc(N(CCCOCC(F)(F)F)C2CC2)cc1 49312101 GLLZKMUOOKVFEY-UHFFFAOYSA-N 302.340 3.083 10 10 DGCE C[C@H]1CN(c2ccc([C@@H](C)N)cc2Br)[C@H](C)CO1 61695209 YGKQBZDYTCPKSZ-OUAUKWLOSA-N 313.239 3.082 10 10 DGCE C[C@@]1(CNCc2cccc(Cl)c2O)COc2ccccc2O1 529637012 LUJWPNNGLWZFHD-QGZVFWFLSA-N 319.788 3.365 10 10 DGCE Nc1ccc(CCNC(=O)/C=C\c2ccnc3ccccc23)cc1 255167464 PFNYEXDMOJFAJH-YFHOEESVSA-N 317.392 3.189 10 10 DGCE COCCNCc1ccc(N2CCS[C@@H](C)[C@H]2C)cc1C 253077996 SOVIXBQCMYDLCK-CABCVRRESA-N 308.491 3.061 10 10 DGCE CC1(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CCC1 277314227 LVVPFMNNAJFDEQ-UHFFFAOYSA-N 322.792 3.000 10 10 DGCE CC[C@@H](NCc1cc(Cl)cc(Cl)c1O)[C@H](O)C(F)F 295071463 PGCRLVUIUXLIMV-KOLCDFICSA-N 314.159 3.193 10 10 DGCE CCOCCCCNCc1cc(Br)ccc1O 236839707 MMTHBHFBYXJVMK-UHFFFAOYSA-N 302.212 3.061 10 10 DGCE CCN(CC)c1ccc(CNC(=O)N2CC3(C2)CC3(F)F)cc1 847292525 ZRHBXFAGSNBQKV-UHFFFAOYSA-N 323.387 3.083 10 10 DGCE O=C(O)CC[C@@H](Cc1ccccc1)NCc1cc(F)ccc1O 840998762 WHPLIORLNZQXRD-INIZCTEOSA-N 317.360 3.097 10 10 DGCE COC(=O)c1ccc(O)c([C@H](C)NCC2CCC(OC)CC2)c1 756640900 DMOUCWKWRKSQSA-OPFPJEHXSA-N 321.417 3.035 10 10 DGCE Oc1cc2c(cc1CN1CCC(c3ccco3)CC1)OCO2 853527299 SDKSUADBDZPPBJ-UHFFFAOYSA-N 301.342 3.094 10 10 DGCE COc1cc(CN[C@@](C)(CO)C(C)C)c(O)c(C(C)(C)C)c1 850307549 YQYHMQJIIDDXSF-SFHVURJKSA-N 309.450 3.195 10 10 DGCE CN(C)c1cc(F)c(CNC[C@@H]2C[C@H]2C2CCOCC2)cc1F 865785214 NMIPKCGQUOSEER-ZFWWWQNUSA-N 324.415 3.183 10 10 DGCE CC(C)(O)C[C@@H](O)CNc1ccc(Nc2ccccc2)cc1 872210259 SOJCAOOLQYHREM-QGZVFWFLSA-N 300.402 3.364 10 10 DGCE Cc1ccn2cnc(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)c2c1 1128241580 JLIKFTXPOZDGLO-CQSZACIVSA-N 322.412 3.200 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)N[C@@H](C)[C@@H](C)OC)cc1 786147814 PXWTWZZZBWUVBY-LSDHHAIUSA-N 321.465 3.098 10 10 DGCE CCOC(=O)[C@@](C)(C[C@@H](C)Sc1nccs1)NC1CC1 68639645 SWBCDEHWRRFVDT-QMTHXVAHSA-N 314.476 3.088 10 10 DGCE CN1C[C@@H]2[C@@H](CC[C@H]2NCc2cc(Cl)cc(Cl)c2O)C1 1658777796 IZBMUWBGERSACK-MRCXROJRSA-N 315.244 3.129 10 10 DGCE CCC[C@@H](OCC)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1349117534 KNQIZWMNKBQKAO-GOSISDBHSA-N 318.461 3.450 10 10 DGCE O=C(NCc1ccc(O)cc1O)c1cc(Cl)ccc1Cl 1299571558 YZLXILXAXNLMCL-UHFFFAOYSA-N 312.152 3.335 10 10 DGCE Cc1ccc(CN(C)C(=O)c2c(F)ccc(O)c2O)cc1C 1457858100 HBTSENWCPCDIMC-UHFFFAOYSA-N 303.333 3.126 10 10 DGCE CO[C@H]1CC[C@@H]1N(C)C(=O)c1ccc(-n2c(C)ccc2C)cc1 1539778409 SBBRCHHTSOQIEA-ROUUACIJSA-N 312.413 3.344 10 10 DGCE CC(C)(NC(=O)c1cc(O)cs1)c1ccccc1[N+](=O)[O-] 1625181881 QEIAUBFKHTXYFG-UHFFFAOYSA-N 306.343 3.027 10 10 DGCE CC[C@@H](CCNC(=O)OC(C)(C)C)[C@@H](N)c1ccccc1O 1926036688 VPIVOKJHHKQCJN-SWLSCSKDSA-N 308.422 3.333 10 10 DGCE O=C(N[C@@H]1C[C@H]1c1ccco1)c1cc2cc(O)c(O)cc2s1 1570301778 HBBBTAGYTPMROO-NXEZZACHSA-N 315.350 3.191 10 10 DGCE C[C@@H](CC[C@@H](N)c1ccccc1O)CNC(=O)OC(C)(C)C 1928463895 AEFBXGILUPNUIK-GXTWGEPZSA-N 308.422 3.333 10 10 DGCE CC[C@@H]1CO[C@H](C)CN1c1ccc(CN)cc1C(F)(F)F 163688073 OXXILLRFZVDSFT-ZYHUDNBSSA-N 302.340 3.168 10 10 DGCE COc1cc(C)cc(CN2CCO[C@@H](c3cccs3)C2)c1O 164504484 IEROVDIHHAQJQU-OAHLLOKOSA-N 319.426 3.344 10 10 DGCE Nc1ccc(CC(=O)N[C@@H](c2ccccc2)c2nccs2)cc1 153824614 NAQTUVVAICGCJN-KRWDZBQOSA-N 323.421 3.174 10 10 DGCE COc1ccc(O)c(CNC(=O)C/C=C/c2ccc(C)cc2)c1 155994825 FIIXSXUDIUQERJ-ONEGZZNKSA-N 311.381 3.429 10 10 DGCE CN(CCc1ccc(N)cc1)[C@@H]1CC[C@@H]1OCc1ccccc1 1939605995 SSAOCSBPYKAMQU-UXHICEINSA-N 310.441 3.491 10 10 DGCE CN(Cc1cccc(O)c1)c1ccc(CO)cc1Br 1877544546 FHSKUXRUFIXTFY-UHFFFAOYSA-N 322.202 3.283 10 10 DGCE COc1nscc1CNCc1cc(Cl)cc(Cl)c1O 1967787927 RUGNRWVCSKTKNE-UHFFFAOYSA-N 319.213 3.454 10 10 DGCE CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H](N)c1ccc(N(C)C)cc1 1977946107 SRFZHPGJSCBZKY-XJKSGUPXSA-N 321.465 3.398 10 10 DGCE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1Cc1ccc(N)cc1 1977925276 JLFDLZXNJXXEFE-UONOGXRCSA-N 319.449 3.099 10 10 DGCE C[C@@H](N)c1ccc(N(C)CC2(Br)CC2)c(F)c1 2020229331 YPGLJZPONLVDNQ-SECBINFHSA-N 301.203 3.209 10 10 DGCE COc1cc(Br)ccc1[C@H](N)c1ccccc1O 2029560085 RVPVJMGPZDUBTO-CQSZACIVSA-N 308.175 3.211 10 10 DGCE CN(Cc1ncoc1C(F)F)c1ccc(CO)cc1Cl 2160362815 CZUDDUZAJXZBLG-UHFFFAOYSA-N 302.708 3.394 10 10 DGCE CN(CC1[C@H]2CCC[C@H]12)c1ccc(CO)c(Br)c1 2032795001 NYDYGUSYBGOKIO-STQMWFEESA-N 310.235 3.424 10 10 DGCE CC[C@H]1CCOC[C@H]1NCc1ccc(Br)cc1O 2035116460 AYRUCJQMAFRBIC-GXFFZTMASA-N 314.223 3.059 10 10 DGCE Nc1ccc(CC[C@H](O)c2ccc(Br)cn2)cc1 2039406203 YYFKYWMYURFFLO-AWEZNQCLSA-N 307.191 3.093 10 10 DGCE C[C@H](O)c1ccc(N2C[C@H]3C[C@H]2[C@@H]2C[C@H]32)cc1Br 2041509968 AGOHZSALKXPWCT-KLDWPMRUSA-N 308.219 3.347 10 10 DGCE C[C@@H]1OCc2[nH]c(C3=S=Nc4ccccc43)nc(=S)c21 2159957518 ZZZWAMYPJDBWGN-ZETCQYMHSA-N 301.396 3.210 10 10 DGCE C[C@H](N)c1ccc(N2CCO[C@H](C)[C@H]2C)cc1Br 380487190 ADLGHSYRYLDCPS-HBNTYKKESA-N 313.239 3.082 10 10 DGCE C[C@H](N[C@@H]1CCCC12OCCO2)c1ccc2ccccc2c1O 715601747 OMDSVASLLRDANU-SUMWQHHRSA-N 313.397 3.492 10 10 DGCE CC(C)c1c(C(=O)OC(C)(C)C)cnn1-c1ccc(O)c(O)c1 2069759200 XPYMHZPFEWXIGM-UHFFFAOYSA-N 318.373 3.362 10 10 DGCE CO[C@H]1CN(c2ccc([C@H](C)O)cc2Cl)CC(F)(F)C1 2185157681 JJSBPTZIHYYVKF-GXSJLCMTSA-N 305.752 3.254 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)c1snc(Cl)c1Cl 2048318062 SXTDTJFCRDFNFB-RXMQYKEDSA-N 306.178 3.365 10 10 DGCE O=C(O)c1cc(Br)c(NCc2ccccc2O)o1 2053244448 PRWUAFHCXYIAMF-UHFFFAOYSA-N 312.119 3.058 10 10 DGCE COc1ccc(N(Cc2ccccc2)C(C)(C)CO)c(OC)c1 2210908780 CREMWUVACUWADR-UHFFFAOYSA-N 315.413 3.481 10 10 DGCE CC[C@H](NCC[C@H]1CCO1)c1cc(Br)ccc1O 2264021330 JOCILSASHWZHRD-AAEUAGOBSA-N 314.223 3.374 10 10 DGCE CCCCN1C(=O)C(=C2C(=O)Nc3ccccc32)SC1=S 2294400571 CQVCDBKSHLZAIJ-UHFFFAOYSA-N 318.423 3.010 10 10 DGCE COc1cccc(CNC(=O)C=Cc2ccc(Cl)s2)c1O 2301549641 DHKHGAUWJQKJCD-UHFFFAOYSA-N 323.801 3.445 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)N1CCc2c(Cl)cccc21 2307989641 HEZCNPCCYOETSU-UHFFFAOYSA-N 315.756 3.354 10 10 DGCE CC=CC[C@@H](CO)N[C@@H](C)c1ccc(Br)cc1O 2309492198 VLFYEHOPFGMVLU-JQWIXIFHSA-N 314.223 3.132 10 10 DGCE Cc1cccc(C=CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 2309813736 APTOUCJWGUWTAS-CQSZACIVSA-N 311.381 3.167 10 10 DGCE COc1ccc(N=Nc2c(CC(=O)O)nc3ccccn23)cc1 2320767595 JIGCHQBKLKBVIB-UHFFFAOYSA-N 310.313 3.385 10 10 DGCE Cc1nc2ccc(C(=O)O)cn2c1N=Nc1ccc2c(c1)OCO2 2320774186 ITYVCFIZKSNGLJ-UHFFFAOYSA-N 324.296 3.485 10 10 DGCE CN[C@H](c1ccc2c(c1)CCCN2C)c1nc(C)c(C)s1 50287833 REIGRYSEYIEULR-MRXNPFEDSA-N 301.459 3.451 10 10 DGCE CCCO[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2O)CC1 170989195 FXOFDHXWEHCLJD-OAHLLOKOSA-N 308.378 3.082 10 10 DGCE CCc1ccc(/C=C/C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)o1 186403044 QJUKMBZUDYNXCP-YPUOHESYSA-N 315.369 3.014 10 10 DGCE Cc1nc(C)c([C@@H](C)NCc2cc3c(cc2O)OCO3)s1 42880352 DANDTZBXLXTHSA-MRVPVSSYSA-N 306.387 3.045 10 10 DGCE Cc1cccc2c1CCN(Cc1ccc(N3CCOCC3)cc1)C2 148122010 WRNNOVSODKGQDB-UHFFFAOYSA-N 322.452 3.390 10 10 DGCE COC(=O)/C=C\c1ccc(N2Cc3ccccc3C2)c([N+](=O)[O-])c1 255732124 DXTZAOHASKRBBR-CLFYSBASSA-N 324.336 3.301 10 10 DGCE O=C(NCc1ccccc1O)NCc1ccc(C2CC2)cc1F 291987202 XPKHJOLSJXLEAG-UHFFFAOYSA-N 314.360 3.408 10 10 DGCE CO[C@@H](COC(=O)c1cc(C)n(-c2ccccn2)c1C)C1CC1 816382800 YVLJHMVEPCEWDX-INIZCTEOSA-N 314.385 3.071 10 10 DGCE COc1cccc([C@H]2C[C@H]2C(=O)NCc2ccc(N(C)C)cc2)c1 730162384 RYLPCGRIKRRSOW-RTBURBONSA-N 324.424 3.181 10 10 DGCE C[C@@H](NCc1c(O)cccc1Cl)[C@@H]1C[C@H](C(=O)O)C1(C)C 848640319 PGXVBGTWLIBBTG-ADEWGFFLSA-N 311.809 3.271 10 10 DGCE COc1cccc(CN2C[C@H](C)OC3(CCCCC3)C2)c1O 848928820 ONJYANCTBXVLNB-AWEZNQCLSA-N 305.418 3.324 10 10 DGCE FC(F)(F)[C@@H]1CC[C@H](CCNCc2ccc3c(c2)CCO3)O1 922679831 RMSJWUKIORINBT-HIFRSBDPSA-N 315.335 3.211 10 10 DGCE Cc1cc(O)c(CNC[C@H](CO)Cc2ccccc2)c(Cl)c1 840884721 PYKJLIOGJXJNRP-OAHLLOKOSA-N 319.832 3.295 10 10 DGCE COc1ccc2c(c1)CCCN2CCOC1CCSCC1 929238857 YWJYGFJUHWHCJA-UHFFFAOYSA-N 307.459 3.360 10 10 DGCE CC(C)(C)OC(=O)N[C@]1(c2cc(N)ccc2O)CC=CCC1 1953032009 VOCHZGSWSKZIKA-QGZVFWFLSA-N 304.390 3.435 10 10 DGCE CCc1[nH]nc(Cl)c1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 860950069 HJPXZFPNTCPQFK-SNVBAGLBSA-N 320.824 3.183 10 10 DGCE C[C@@H]1CC[C@H](NCc2ccc(N(C)C)cc2C(F)(F)F)CN1 863649701 GTTZKTFSJYQHEN-YPMHNXCESA-N 315.383 3.002 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@H](C2CCC2)[C@H]2CCOC2)c1 866512461 KWNRVTUPUFCJBF-XAYKYTGQSA-N 305.418 3.257 10 10 DGCE CCC(C)(C)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 1134681971 OYSJPTNYHNYDIZ-KRWDZBQOSA-N 319.493 3.298 10 10 DGCE CN[C@H](CSc1nccs1)c1cc(OC)ccc1OC 81889437 MUAQMKXZVQOWLE-GFCCVEGCSA-N 310.444 3.213 10 10 DGCE C[C@@H](NC(=O)c1ccc(OC(C)(C)C)cn1)c1ccccc1O 1151886147 XKWBDDZQSZOJJU-GFCCVEGCSA-N 314.385 3.456 10 10 DGCE Cc1ccc(O)c(CNC(=O)NC[C@H]2CCc3ccccc3C2)c1 1231058343 BMKIZXZTMJIURL-HNNXBMFYSA-N 324.424 3.305 10 10 DGCE CO[C@H](CSc1ncc(-c2ccccc2)n1C)[C@H]1CCOC1 1327518609 RZXFTMDQSOILSF-GOEBONIOSA-N 318.442 3.231 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@H]2CC[C@H]2C)cc1 1331730041 IHAJKSDPJGJLHN-YJYMSZOUSA-N 324.424 3.364 10 10 DGCE Cc1cccnc1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1349119579 TUMSBBAXPNSDJJ-UHFFFAOYSA-N 309.413 3.262 10 10 DGCE Cc1nc(Cl)c(Cl)cc1C(=O)N1CC[C@@H](CN=[N+]=[N-])C1 1912174820 DZYZNKMCUAFHFV-QMMMGPOBSA-N 314.176 3.469 10 10 DGCE Nc1ccc(OCCOCCCOCc2ccccc2)cc1 1910510209 VMYSFMMJKKNMHI-UHFFFAOYSA-N 301.386 3.271 10 10 DGCE O=C(NCc1cc(O)ccc1O)c1c(Cl)cccc1Cl 1455355612 DRBTVZZEEGXQDR-UHFFFAOYSA-N 312.152 3.335 10 10 DGCE FC1(F)CN(c2ccc(CNC3CC3)cc2Br)C1 1917005517 TYYPCDUCTXVGFI-UHFFFAOYSA-N 317.177 3.156 10 10 DGCE CCN(CCSC)c1ccc(CNCCOC)c(Cl)c1 1917001486 CBQDTDLPQIWCMW-UHFFFAOYSA-N 316.898 3.265 10 10 DGCE CON(C(=O)Cc1ccc(O)c(O)c1)[C@H](C)c1ccccc1C 1468625365 YMRPWWIYAOPLMB-CYBMUJFWSA-N 315.369 3.100 10 10 DGCE COCc1sccc1C(=O)Nc1c(Cl)ccc2nonc12 1531534158 VTQILGZRQXXDAM-UHFFFAOYSA-N 323.761 3.336 10 10 DGCE Cc1ccc(O)c(CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])c1 1612628065 KZUPRGSHPYCPIB-UHFFFAOYSA-N 303.274 3.129 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)COC1(C)CCC1 1540567136 AGPLJEKNFYRQOE-UHFFFAOYSA-N 316.445 3.204 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)N1Cc2ccc(Cl)cc2C1 1638818951 MDNYMHVLGNNOKX-KXFIGUGUSA-N 315.756 3.307 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)Nc1cc(-c2ccccc2)[nH]n1 1639293785 HKUDHAKKBUMUTC-CLFYSBASSA-N 321.336 3.140 10 10 DGCE CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)NCc1ccccc1O 1927901996 TZLDLUCKKXNJNK-GXTWGEPZSA-N 308.422 3.174 10 10 DGCE O=C(CSc1ncc(Cl)s1)NOCc1ccccc1 1656766548 LDCCECUXZYXYCL-UHFFFAOYSA-N 314.819 3.137 10 10 DGCE C[C@H]1CC[C@@H](C)CN1C(=O)NCCCSc1nccs1 154577290 MZQJIESXCOELPU-NEPJUHHUSA-N 313.492 3.455 10 10 DGCE Cc1ccc(-n2c(C)cc(C(=O)NCCCCCO)c2C)cc1 1874029008 OTKASBAQZWOEKA-UHFFFAOYSA-N 314.429 3.295 10 10 DGCE Nc1ccc(CN2CCC(CN3CCCCCC3)CC2)cc1 1120262938 GMNHGQLOYKIZSU-UHFFFAOYSA-N 301.478 3.357 10 10 DGCE CN(CC[C@H]1CCCO1)Cc1cccc(Br)c1O 1972185175 VSNJNMIVHBUNBP-GFCCVEGCSA-N 314.223 3.156 10 10 DGCE C[C@@H](O)CCCN(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 1972630780 XYWPORAPLYTCAQ-CQSZACIVSA-N 322.449 3.309 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@@H]1C[C@@]12CCOC2 1974202671 RPWKMFNSPMVOQX-IINYFYTJSA-N 302.201 3.215 10 10 DGCE CN(C)c1ccc([C@H](N)C2CC(NC(=O)OC(C)(C)C)C2)cc1 1977945046 LVRXSZBEDYYSRH-XUJLQICISA-N 319.449 3.056 10 10 DGCE CC(C)C[C@H](CNCc1ccc(N)cc1)NC(=O)OC(C)(C)C 1983573771 XTMPBYDXSJVOAY-MRXNPFEDSA-N 321.465 3.298 10 10 DGCE CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CC(N=[N+]=[N-])C2)c1 1985104806 LWGCIEJENHPZFD-UHFFFAOYSA-N 317.349 3.168 10 10 DGCE C[C@@H](N)c1ccc(N2CC(COC(F)(F)F)C2)c(Cl)c1 2156324035 PFZLFINSONHZAC-MRVPVSSYSA-N 308.731 3.332 10 10 DGCE CCNCc1ccc(N2C[C@@H](F)C[C@H]2C)cc1Br 2042192169 GHWZBAOWSUTIEK-PWSUYJOCSA-N 315.230 3.495 10 10 DGCE CN(C)c1ccc([C@H](O)c2ccc(Br)cc2N)cc1 2106798829 PDGLJCWZVCZSGL-HNNXBMFYSA-N 321.218 3.179 10 10 DGCE CN[C@@H](c1ccccc1O)[C@@H](O)c1cccc(Br)c1 2091859596 PHTQOTAPBPFEHW-GJZGRUSLSA-N 322.202 3.149 10 10 DGCE CN[C@H](C[C@]1(C)CCN1C(=O)OC(C)(C)C)c1ccccc1O 2211939646 LDHRECNTWCRGIZ-KDOFPFPSSA-N 320.433 3.442 10 10 DGCE CN(Cc1ccc(N)cc1)c1cc(Br)cc(F)c1N 2224715179 UVPYXQCQKZGCSM-UHFFFAOYSA-N 324.197 3.389 10 10 DGCE CSc1ncc(Cn2c(Cl)nc(Cl)c2C=O)s1 2248681501 ZQWFQCGFSQVJOU-UHFFFAOYSA-N 308.215 3.229 10 10 DGCE COCCNCc1c(F)cc(C)cc1Sc1nccs1 2283507710 SAXFEKWHJWDTKQ-UHFFFAOYSA-N 312.435 3.478 10 10 DGCE Cc1ncc(C=CC(=O)N2C[C@@H](C)Oc3c(F)cccc32)s1 2309903634 CINRGTNIEOBDCR-SNVBAGLBSA-N 318.373 3.418 10 10 DGCE O=C(C=Cc1cccnc1)N1CCN(C2CC2)c2ccccc21 2310249772 OXKGWIAJDZNKIG-UHFFFAOYSA-N 305.381 3.110 10 10 DGCE CS[C@@H]1CCN(Cc2ccc(C)c(Br)c2O)C1 2307471371 SCXBILRSEROHQD-LLVKDONJSA-N 316.264 3.400 10 10 DGCE CCN(Cc1ccc(C)c(Br)c1O)[C@@H]1CCOC1 2327566510 COTALPDFZDEQGT-GFCCVEGCSA-N 314.223 3.074 10 10 DGCE CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1O 15777308 WTJVGFIPUJBCKI-GDNBJRDFSA-N 323.308 3.107 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)NCCc1ccsc1 46907187 VYCREWWOWLKJFS-UHFFFAOYSA-N 317.458 3.198 10 10 DGCE CSc1ccccc1O[C@@H](C)C(=O)Nc1ccc(N)cc1 110980566 OXHCPQGKWSKURR-NSHDSACASA-N 302.399 3.397 10 10 DGCE C[C@@H](CC1CC1)NC(=O)NCc1ccc2c(c1)CCCN2C 112722000 TYRSTEPLJVJGRK-ZDUSSCGKSA-N 301.434 3.057 10 10 DGCE Cc1ccccc1[C@@H](O)CNCc1ccc(N(C)C)c(F)c1 113342114 GEXHJQQRGVMWMP-SFHVURJKSA-N 302.393 3.023 10 10 DGCE C[C@@H]1CC(NCc2cccc(Br)c2O)C[C@@H](C)O1 128901498 BMMPJZFINXTFIA-NXEZZACHSA-N 314.223 3.200 10 10 DGCE CCc1cccc(CC(=O)N[C@H](C)c2cc(OC)ccc2O)c1 162188804 LMFSYHHBCPBGDV-CYBMUJFWSA-N 313.397 3.383 10 10 DGCE CCOC1CCN(c2ccc(CN)cc2C(F)(F)F)CC1 163685078 DVKMDSGNYOKUIY-UHFFFAOYSA-N 302.340 3.169 10 10 DGCE CCN(C[C@H]1CCCO1)c1ccc(/C=C/C(=O)O)cc1Cl 164358205 IBAZIYDNXKZIMU-STMXVASLSA-N 309.793 3.443 10 10 DGCE CCN(c1ccc(CNC)c(C(F)(F)F)c1)[C@H](C)COC 167373408 YJBVMQBBTPWNEY-LLVKDONJSA-N 304.356 3.286 10 10 DGCE Oc1ccccc1CN(Cc1nc(C2CC2)n[nH]1)Cc1ccco1 182520161 FBLXLDFRUPKGGU-UHFFFAOYSA-N 324.384 3.183 10 10 DGCE COc1ccc(O)c(CN2CCc3cccc(OC)c3CC2)c1 194570155 JVJFJXJEZHJHQJ-UHFFFAOYSA-N 313.397 3.010 10 10 DGCE CCc1ccc(S(=O)(=O)Nc2cc(C)c(O)cc2C)s1 234190358 TZVYXSXMNVWKEJ-UHFFFAOYSA-N 311.428 3.434 10 10 DGCE O=C(/C=C/c1cnccn1)N1CC2(CCCC2)c2ccccc21 267563966 KZUJQORMQVSSMH-BQYQJAHWSA-N 305.381 3.348 10 10 DGCE C[C@@H]1CCN(c2ccc(/C=C\C(=O)O)cc2Br)C1 310599929 MDALYMUOEISYAE-TZGMSPROSA-N 310.191 3.393 10 10 DGCE c1cc(N2CCOCC2)ccc1CNc1ccc2c(c1)CCCO2 383574690 GCDSRHCGDMPENW-UHFFFAOYSA-N 324.424 3.460 10 10 DGCE Cc1noc(C)c1COC1CCN(c2ccc(N)cc2)CC1 585880651 XEHFOHQONFHFEQ-UHFFFAOYSA-N 301.390 3.059 10 10 DGCE CN1CCCc2cc(CNC(=O)NCCC3CCCC3)ccc21 746718605 KMNGTWBOGJYLGQ-UHFFFAOYSA-N 315.461 3.449 10 10 DGCE COc1cc(C)cc(CN2CCOC[C@@H]2c2ccccc2)c1O 754736760 KZULWFMRPYQSSN-QGZVFWFLSA-N 313.397 3.283 10 10 DGCE C[C@H]1CCC[C@@H](C)N1CCN[C@H](C)c1cc([N+](=O)[O-])ccc1O 756555692 UVHLGHRHYCDPEM-HZSPNIEDSA-N 321.421 3.214 10 10 DGCE Cc1ccc(/C=C/C(=O)N2CCN(C)c3cc(F)ccc32)cn1 777864056 IAIFQDHRFXFYET-VMPITWQZSA-N 311.360 3.025 10 10 DGCE Cc1cc(C(=O)N2CC[C@@H](C)[C@H](F)C2)c(C)n1-c1ccccn1 778466871 IJALCKKRCBSBFE-MLGOLLRUSA-N 315.392 3.309 10 10 DGCE Cc1cc(Br)c(O)c(CN2CCSC[C@H]2C)c1 781907898 HEXBMYAEHSWMPK-SNVBAGLBSA-N 316.264 3.400 10 10 DGCE CCN(C[C@H](O)C1CCCCC1)c1ccc(OC)c(OC)c1 789340691 CJPPMYFGFQXSNA-INIZCTEOSA-N 307.434 3.471 10 10 DGCE CCN(C)c1ccc(CN2C[C@H](C(F)(F)F)OC[C@@H]2C)cc1 815116187 DDQWDQBAIANEMN-SWLSCSKDSA-N 316.367 3.294 10 10 DGCE COC[C@H]1CCCN(Cc2cc(Cl)cc(F)c2O)CC1 825321905 QNHZZSKUDBFFRP-NSHDSACASA-N 301.789 3.433 10 10 DGCE Oc1cc(Br)ccc1CN1CC[C@]2(C1)CC2(F)F 826142649 HFSNNTYEOBZOIR-GFCCVEGCSA-N 318.161 3.386 10 10 DGCE O=C(C[C@@H]1CC[C@H]2C[C@H]12)NCc1cc(Br)ccc1O 831932914 MFPKVJUJWDXHSH-KWBADKCTSA-N 324.218 3.207 10 10 DGCE O=C(NCc1cccc(Br)c1O)[C@@H]1CCC[C@@H]2C[C@H]21 834475817 DZGUQJMTOMLCQP-YUSALJHKSA-N 324.218 3.207 10 10 DGCE C[C@H](Nc1nc(C2CCOCC2)no1)c1ccc(N(C)C)cc1 840287959 BPTKITKLMRZDLD-LBPRGKRZSA-N 316.405 3.203 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)c2sccc2F)cc1 844856469 KYKUNYOCJLJATP-UHFFFAOYSA-N 322.405 3.104 10 10 DGCE CC[C@H](C)n1ncc(C(=O)NCc2cc(Cl)ccc2O)c1C 846474009 QDBKOAMHBDJFKN-JTQLQIEISA-N 321.808 3.452 10 10 DGCE c1cc(N2CCOCC2)ccc1CNC[C@@H]1CCC[C@H]2C[C@H]21 850378322 YNHMZXXDYLEJRM-JENIJYKNSA-N 300.446 3.049 10 10 DGCE Cc1cc(O)c(CNCC2(CC(N)=O)CCCCC2)c(Cl)c1 850413994 WLODQGOUSMNOOZ-UHFFFAOYSA-N 324.852 3.270 10 10 DGCE COc1ccc(N2CCCN(C[C@H](OC)C3CCC3)CC2)cc1 851732711 BCTJZNBBAQXLPP-IBGZPJMESA-N 318.461 3.022 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](C)CC(C)C)C2)cc1 852222633 IJFYYUMAEHOABP-LSDHHAIUSA-N 319.449 3.008 10 10 DGCE CCC(C)(CC)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 854298699 ABKMEZHTJFUNLQ-AWEZNQCLSA-N 319.449 3.152 10 10 DGCE CCN(C)c1ccc(CN2CC[C@H](C(=O)O)[C@H]3CCC[C@H]32)cc1 863475142 IOFDCINZYWSQNN-FGTMMUONSA-N 316.445 3.218 10 10 DGCE Cc1ccc(CS(=O)(=O)N[C@@H](C)c2ccccc2O)cc1F 867834525 PMAUKZFYAKQLMC-LBPRGKRZSA-N 323.389 3.020 10 10 DGCE O=C([C@@H]1CCCc2c(O)cccc21)N1Cc2cccc(O)c2C1 871204932 SRTUTYIOACQKLT-OAHLLOKOSA-N 309.365 3.060 10 10 DGCE O=C(NCc1cc(O)ccc1O)c1cc2sccc2s1 1153879555 QDYYFDSKEGNVHU-UHFFFAOYSA-N 305.380 3.304 10 10 DGCE Cc1ccsc1CCCC(=O)NCc1cccc(O)c1O 1263894361 CTZBEIMKBKXXBS-UHFFFAOYSA-N 305.399 3.107 10 10 DGCE Cc1ccc(CNC(=O)c2cc(O)cs2)c(OC(C)C)c1 1294623163 ALMZJNVWMLNCAC-UHFFFAOYSA-N 305.399 3.479 10 10 DGCE CCOC(=O)[C@H](CC)N(Cc1ccc(N(C)CC)cc1)C1CC1 1307695940 SQFMYNNFFXJXTA-SFHVURJKSA-N 318.461 3.449 10 10 DGCE COc1ccc(N2CC[C@H](CNc3nc(C)ncc3C)C2)cc1 1326886383 OMORSICSTLGNQY-OAHLLOKOSA-N 312.417 3.040 10 10 DGCE c1cc(N2CCCC2)ccc1CN1CC[C@@H]([C@@H]2CCCO2)C1 1331961681 ZFEUFWIYBXBCFQ-MJGOQNOKSA-N 300.446 3.288 10 10 DGCE Cc1ccc(NC2CC2)c(C(=O)NCc2c(O)cccc2F)c1 1456030961 UHJLVXQTQBYWND-UHFFFAOYSA-N 314.360 3.344 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1ccc2cccnc2n1 1465845542 CUHGJLFVGOCIHV-UHFFFAOYSA-N 321.380 3.388 10 10 DGCE COC1(C)CN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1 1466599507 QYKJZIUFZSXEIK-UHFFFAOYSA-N 312.413 3.263 10 10 DGCE C[C@@H](NC(=O)c1cn(C)nc1-c1ccccc1)c1ccccc1O 1471196039 RNDPQBLYOPJBPO-CYBMUJFWSA-N 321.380 3.284 10 10 DGCE CCC(C)(C)N[C@H](C)C(=O)NCc1c(O)ccc2ccccc12 1597737455 XLENZVOZNIBDSF-CYBMUJFWSA-N 314.429 3.328 10 10 DGCE O=C(C[C@H]1OCc2ccccc21)NCc1cccc(Cl)c1O 1637232320 PRKFBWGWVRICJV-OAHLLOKOSA-N 317.772 3.323 10 10 DGCE Cn1c(-c2ccccc2)cnc1SCOC(=O)C1CCC1 1652516925 WUYGLKQWGWTUQP-UHFFFAOYSA-N 302.399 3.480 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCC(C)(C)F 1686827284 ZPJMHRULHDIXGM-ZDUSSCGKSA-N 309.429 3.039 10 10 DGCE Cc1cc(C)cc(NC(=O)CNCc2ccc(N(C)C)cc2)c1 1857855048 MUNBJJOJHYIERN-UHFFFAOYSA-N 311.429 3.098 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@@H](Nc3ccc(N)cc3)C[C@@H]21 1897789003 NRFBYXWHYCBWCP-BJKJVOPESA-N 317.433 3.373 10 10 DGCE CCn1ccnc1CN(C)Cc1c(O)cccc1Br 1913380554 LFAXIJRZRYZISO-UHFFFAOYSA-N 324.222 3.003 10 10 DGCE CC(C)(O)CN(Cc1ccccc1)c1ccc(CO)cc1F 1915369985 LONBKMVTTXCXPC-UHFFFAOYSA-N 303.377 3.096 10 10 DGCE CC(C)(C)OC(=O)N[C@H](C1CCC1)[C@@H](N)c1ccccc1O 1928479880 ANQQQZQCLLTEML-LSDHHAIUSA-N 306.406 3.085 10 10 DGCE CN(C)c1ccc(CN[C@]23C[C@@H]2CN(Cc2ccccc2)C3)cc1 1950089297 GBUUTMLZSFMTBV-CTNGQTDRSA-N 321.468 3.117 10 10 DGCE C[C@H](O)c1ccc(N2CC(OCc3ccccc3)C2)c(F)c1 1958983744 QNBYFJONDJRRJX-ZDUSSCGKSA-N 301.361 3.284 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccccc2N)[C@H](F)C1 1959369101 ZPKXXILCAKVRNK-DGCLKSJQSA-N 309.385 3.028 10 10 DGCE CN(CCCCN=[N+]=[N-])C[C@@H]1CCCN1C(=O)OC(C)(C)C 1962302626 AZQICAXLAZJEBW-ZDUSSCGKSA-N 311.430 3.408 10 10 DGCE CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H](O)c1ccc(N(C)C)cc1 1977939495 QKUXOWGXEDDZFW-BBRMVZONSA-N 322.449 3.432 10 10 DGCE CN(C)c1ccc([C@@H](N)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 1977945401 NNUCENHCBPJTMR-HZPDHXFCSA-N 319.449 3.152 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]1([C@H](N)c1ccccc1O)C2 1992395514 RTYHSFXDNPQKPR-PNPHSEOMSA-N 318.417 3.182 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(CNc2ccc(N)cc2)C1 1993226883 JRRRMDFLQGLQKR-SCLBCKFNSA-N 317.433 3.328 10 10 DGCE Nc1ccc(Oc2ccc(Br)c([N+](=O)[O-])c2)nc1 2029702613 UTAQGNFUBPWTEP-UHFFFAOYSA-N 310.107 3.127 10 10 DGCE CCNCc1ccc(N2CC3(F)CC2C3)cc1Br 2048739829 NMMVDUOAIUPWFV-UHFFFAOYSA-N 313.214 3.249 10 10 DGCE CN(c1ccc(CN)c(Br)c1F)[C@@H]1CCC[C@@H]1F 2055387215 GONSPFICUURHJV-VHSXEESVSA-N 319.193 3.374 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@H](F)C[C@@H](F)C2)cc1Br 2062396702 OKGRDGKZACNXRC-OPRDCNLKSA-N 319.193 3.355 10 10 DGCE COC(=O)c1cc(C(C)C)nn1[C@H](C)c1ccc(OC)cc1O 2069954093 GPBXKKRBPYMGEM-LLVKDONJSA-N 318.373 3.117 10 10 DGCE Cc1ccc([C@@H](C2CC2)n2nc(C)c(CN)c2Cl)c(O)c1 2079131805 ZKEYXIMOIPELKU-OAHLLOKOSA-N 305.809 3.317 10 10 DGCE CN(Cc1ccccc1N)Cc1cc(Br)ccc1O 2092733505 VGZYNSQOUZAUBY-UHFFFAOYSA-N 321.218 3.369 10 10 DGCE C[C@H]1c2cccn2CCN1c1ccc(CO)cc1Br 2114548959 IPODOALLQJWRDE-NSHDSACASA-N 321.218 3.324 10 10 DGCE CN[C@H](c1ccccc1O)[C@H](O)c1ncc(Cl)cc1Cl 2163375285 CNHCOMIWZMVBTQ-OCCSQVGLSA-N 313.184 3.088 10 10 DGCE C[C@@H](O)c1ccc(N(C)Cc2c(Cl)cnn2C)cc1Cl 2168144936 HKWUNGLZOKDPEM-SECBINFHSA-N 314.216 3.417 10 10 DGCE COC1(CNCc2ccc(Br)cc2O)CC(C)C1 2261496403 YPSJSZQMIRFNOB-UHFFFAOYSA-N 314.223 3.059 10 10 DGCE CSc1ncc(Cn2c(=N)[nH]c3cc(F)c(C)cc32)s1 2284694691 LQJFKOBDVDBBKA-UHFFFAOYSA-N 308.407 3.123 10 10 DGCE Cc1ccc(CN=[S@@](C)(=O)C(C)C)c(O)c1Br 2307565708 QBAUBYBBBWGJEO-KRWDZBQOSA-N 320.252 3.469 10 10 DGCE COCCCNC[C@H]1CCN(c2ccc(OCC(C)C)cc2)C1 76376646 MQMVXKTZNDPZNZ-QGZVFWFLSA-N 320.477 3.174 10 10 DGCE CCCN[C@@H]1C(=O)Nc2cc(Sc3nccs3)ccc21 103906531 RFFQZYWDYMGSJY-LBPRGKRZSA-N 305.428 3.287 10 10 DGCE Cc1ccn2c(CN(C)Cc3ccc(N(C)C)cc3)cnc2c1 155176368 NVWAFNCCNACGKP-UHFFFAOYSA-N 308.429 3.341 10 10 DGCE Nc1ccc(N(C(=O)Nc2cnccn2)c2ccccc2)cc1 169849269 RHNVPALSHRVKLE-UHFFFAOYSA-N 305.341 3.429 10 10 DGCE CCc1nc(C2(NCc3cccc(C)c3O)CCCC2)no1 181794758 ZNXAIFXEIXDJPJ-UHFFFAOYSA-N 301.390 3.205 10 10 DGCE COc1ccc(CN[C@@H](C)[C@@H](c2ccccc2)N(C)C)c(O)c1 185678743 FIBZDJDFLSYGKT-LIRRHRJNSA-N 314.429 3.182 10 10 DGCE Cc1nccn1C[C@@H](C)CN[C@@H](C)c1ccc(F)c(F)c1O 187699117 RPXAGOIPZZOYJF-QWRGUYRKSA-N 309.360 3.162 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1cn2ccnc2s1 188412198 ASCODOWHMWBCKG-UHFFFAOYSA-N 315.398 3.154 10 10 DGCE CCC[C@@H]1CCCCN1c1cc2c(cc1Cl)[C@@H](N)C(=O)N2 219343472 SGARLLCSMQJHBS-MEBBXXQBSA-N 307.825 3.451 10 10 DGCE CC[C@@H]1OCC[C@@H]1CNCc1cc(Br)ccc1O 233913692 NGFBXHUNKSGELH-YGRLFVJLSA-N 314.223 3.059 10 10 DGCE C[C@H]1CN(C)CC[C@H]1NCc1cc(Cl)cc(Cl)c1O 252895109 YFNQPYHZWINCIK-TVQRCGJNSA-N 303.233 3.129 10 10 DGCE CCNCc1ccc(N2C[C@H]3C[C@H]2CN3Cc2ccccc2)cc1 383991872 NHUFOHORDYVPRF-RTWAWAEBSA-N 321.468 3.259 10 10 DGCE CCCNCc1sc(OC)nc1Sc1nccs1 386426889 OBFREWLPUPAISO-UHFFFAOYSA-N 301.462 3.259 10 10 DGCE C[C@H]1C[C@H](NCc2ccccc2O)CN(C(=O)OC(C)(C)C)C1 401671441 LOQKQCSSQVFEDY-ZFWWWQNUSA-N 320.433 3.127 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)c2ccc(Br)cc2)C1 403506861 AHPPYCHLZOSALJ-LLVKDONJSA-N 309.167 3.364 10 10 DGCE C[C@@H]1CCN(Cc2cccc(Br)c2O)C[C@@H](C)O1 694871980 SDXURZIWWVKYMN-GHMZBOCLSA-N 314.223 3.154 10 10 DGCE CN(CC1C[C@@H]2C[C@H]2C1)c1ccc(CO)cc1Br 697845765 SPJRGPMYCQBNLE-CHWSQXEVSA-N 310.235 3.424 10 10 DGCE C[C@@H]1O[C@H](C)C[C@H]1N(C)Cc1c(O)cccc1Br 707164261 RKWRAIXRLCFFJG-GBIKHYSHSA-N 314.223 3.152 10 10 DGCE Cc1cccc(CNCc2ncc(Br)s2)c1O 714927347 QQRCPIILACPZJB-UHFFFAOYSA-N 313.220 3.209 10 10 DGCE C[C@H](NCC1CC(NC(=O)OC(C)(C)C)C1)c1ccccc1O 715081292 OKWIASASWIMLBA-HSBZDZAISA-N 320.433 3.346 10 10 DGCE COC(=O)/C=C/c1ccc(N2CCC(C)(C)CC2)c([N+](=O)[O-])c1 726968800 DHAPTOPQKMBTLC-FNORWQNLSA-N 318.373 3.407 10 10 DGCE COC(=O)/C(C)=C\CN1CCCc2cc(OC(F)F)ccc21 748814309 ZBSKWYGINOXMQH-XFFZJAGNSA-N 311.328 3.160 10 10 DGCE Cc1ccc(NS(=O)(=O)c2cc(F)cc(F)c2O)cc1C 753015824 GOSWYMJJVQAZGD-UHFFFAOYSA-N 313.325 3.088 10 10 DGCE CCOc1ccc(O)c(CN2CCC(CN(CC)CC)CC2)c1 768303331 LZOLCESGEPXFDW-UHFFFAOYSA-N 320.477 3.345 10 10 DGCE CCOc1ccc(CN2CCCC[C@@H](N3CCCC3)C2)c(O)c1 769234624 XJXYVPOCDKHKJR-QGZVFWFLSA-N 318.461 3.241 10 10 DGCE Cc1cc(C)cc(-n2c(C)cc(C(=O)Nc3cn(C)nn3)c2C)c1 812704905 NLSRZSKGIIGETP-UHFFFAOYSA-N 323.400 3.092 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H](O)CC(C)(C)C 813425716 RBBVUUMWGHKOJR-QGZVFWFLSA-N 320.477 3.288 10 10 DGCE Cc1cc(O)c(CNCc2ccc3c(c2)OCO3)c(Cl)c1 840871155 ACRLZRIJYISGND-UHFFFAOYSA-N 305.761 3.373 10 10 DGCE CCN(CC)c1ccc(CN2CC[C@@H](C)[C@@H](C(=O)O)C2)cc1 843041558 SFJGTWOMZFIAEZ-PBHICJAKSA-N 304.434 3.075 10 10 DGCE COc1cccc(CNCC[C@H]2CCc3ccccc3N2)c1O 844905094 VIYZOXVZXIUUEO-MRXNPFEDSA-N 312.413 3.307 10 10 DGCE C[C@@H](O)[C@H](NCc1c(O)cccc1Cl)c1ccccc1F 846018268 SGQDPFRSZKOVON-HWPZZCPQSA-N 309.768 3.396 10 10 DGCE COc1ccc(N2CC[C@H](N[C@H]3CCCSCC3)C2)cc1 850489183 WGENMJRGCYZOIY-GJZGRUSLSA-N 306.475 3.149 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)c3cscc3C)C2)cc1 855231401 LQWZAPOZHXTNAW-CYBMUJFWSA-N 316.426 3.074 10 10 DGCE COc1cccnc1N1CC=C(c2ccc(Cl)nc2)CC1 858467853 WEKGLJXUPLVGTC-UHFFFAOYSA-N 301.777 3.432 10 10 DGCE C/C=C\C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 862551697 XSTYHYYSCNQXEP-DHCBQETCSA-N 320.389 3.487 10 10 DGCE C[C@@H]1CC[C@@H](N[C@H](C)c2ccc(N3CCCCC3)cc2)CN1 863545395 QRLUIVGEWXFPEZ-JFIYKMOQSA-N 301.478 3.468 10 10 DGCE Cc1cc(N)cc(NC(=O)NCc2ccc(N3CCCC3)cc2)c1 868194139 KBVSOZCQYXNHPJ-UHFFFAOYSA-N 324.428 3.499 10 10 DGCE C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 929531894 JWMWMEVDOJTUAM-GFOCRRMGSA-N 300.446 3.393 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)C(F)(F)C(F)F 1157041521 IECZHJIMWIYIHM-UHFFFAOYSA-N 301.239 3.062 10 10 DGCE CO[C@]1(C)C[C@H](N(C)Cc2cc(F)cc(C(C)=O)c2O)C1(C)C 1167491008 KJKUOQXQQGBWBY-MAUKXSAKSA-N 323.408 3.369 10 10 DGCE C[C@H]1C[C@@H](N[C@H](C)c2ccccc2O)CN1C(=O)OC(C)(C)C 1168826164 XABWROMBTCSVEX-BFHYXJOUSA-N 320.433 3.441 10 10 DGCE C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)NCc1cc(Cl)ccc1O 1248715136 HHMWQJWOOHKPTO-XXSPCDMZSA-N 308.809 3.137 10 10 DGCE Cc1cc(C(=O)NCc2cc(O)ccc2O)c(C)n1C(C)C 1303223472 QYIRQPOCVDNROR-UHFFFAOYSA-N 302.374 3.027 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)c1onc2ccccc12 1465958113 GJTSEXPJWRCNHE-UHFFFAOYSA-N 322.364 3.342 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@H](C)O[C@@H]2C)cc1 1535054364 VLBPSPZRPRFIRD-HDMKZQKVSA-N 312.413 3.390 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(C)cc1OC 1568737493 ANMDGPLUYOSOCZ-UHFFFAOYSA-N 320.385 3.125 10 10 DGCE COc1cc(N(C)C[C@H]2CCCC(C)(C)O2)cc(OC)c1OC 1641778499 LYDUQZXAYFIROG-CQSZACIVSA-N 323.433 3.496 10 10 DGCE C[C@@H](NC(=O)[C@@H](O)C1CCCCCCC1)c1ccccc1O 1642827899 VGAZMQFAMXWOIP-DYVFJYSZSA-N 305.418 3.291 10 10 DGCE CN1C(=O)[C@@H](O)c2ccc(N(Cc3ccccc3)C3CCC3)cc21 1946853759 FSOMAMVILNFNJK-IBGZPJMESA-N 322.408 3.256 10 10 DGCE CC(C)(C)OC(=O)N1CCOC[C@H]1CCCc1ccc(N)cc1 1952925293 ODBJRTBFBHMYTL-MRXNPFEDSA-N 320.433 3.227 10 10 DGCE COc1ccc(N(CCCN)Cc2ccccc2)c(OC)c1 1959394869 FMAPNUNFZFBIKQ-UHFFFAOYSA-N 300.402 3.059 10 10 DGCE CN(C)c1ccc([C@H](O)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 1977958162 LKYVUROPTUNKFA-HOCLYGCPSA-N 320.433 3.043 10 10 DGCE Cc1ccc(CNC[C@@H]2CCCN2C(=O)OC(C)(C)C)c(O)c1 1994457117 VXOLTJXWRVSHTQ-HNNXBMFYSA-N 320.433 3.190 10 10 DGCE C[C@H](N)c1ccc(N2CC[C@@H]2C(F)F)cc1Br 2004456333 PMDBERNQJMYFJL-WRWORJQWSA-N 305.166 3.313 10 10 DGCE CNCc1ccc(N2CC(CC(F)F)C2)cc1Br 2034855114 CGISDWIEDLCSBK-UHFFFAOYSA-N 319.193 3.260 10 10 DGCE N[C@H](c1ccccc1O)[C@@H](O)c1cc(Cl)c(Cl)s1 2037473521 UJGFROOOQLNGQM-MNOVXSKESA-N 304.198 3.494 10 10 DGCE CCCNCc1ccc(N2CC(CF)C2)c(Br)c1 2041176391 HOFZEERTAGFUNQ-UHFFFAOYSA-N 315.230 3.354 10 10 DGCE O=C(CC[C@H]1CCCOC1)NCc1c(O)ccc2ccccc12 2062701706 BNQNDVYRRYOVIJ-CQSZACIVSA-N 313.397 3.368 10 10 DGCE CC[C@@H](c1ccc(C)cc1O)n1nc(C2CCC2)c(N)c1N 2079015205 PWMJRNRDOJQUIV-ZDUSSCGKSA-N 300.406 3.328 10 10 DGCE C[C@@H](O)c1ccc(N2CCOC[C@@H]2C(F)(F)F)c(Cl)c1 2150362552 MVKMYPMVHIWSGF-PRHODGIISA-N 309.715 3.161 10 10 DGCE OC1(c2ccc(N3CCCCC3)cc2)CCC2(CC1)OCCO2 2163101039 XGGLHMDYSZGBOP-UHFFFAOYSA-N 317.429 3.182 10 10 DGCE Cc1cc(NS(=O)(=O)[C@@H]2CCCC[C@@H]2F)c(C)cc1O 2175531421 NEMIXFUQZQNAAG-SMDDNHRTSA-N 301.383 3.031 10 10 DGCE C[Si]1(C)CCN(CCNCc2cc(Cl)ccc2O)CC1 2184635182 SXYVMKIQZCJCQH-UHFFFAOYSA-N 312.917 3.159 10 10 DGCE CCNCc1ccc(N(C)[C@H]2CCOC[C@H]2F)cc1Cl 2186754448 NEKAKFPJWAURLY-CABCVRRESA-N 300.805 3.013 10 10 DGCE CSc1ncc(CNC[C@@H]2OCCc3ccccc32)s1 2208513489 OUUZGIBYPUGIES-AWEZNQCLSA-N 306.456 3.269 10 10 DGCE CN(Cc1cc(Cl)cc(Cl)c1O)C[C@]1(F)CCOC1 2229939597 DBCVJIHWMMSIKC-CYBMUJFWSA-N 308.180 3.259 10 10 DGCE COc1nscc1[C@H](C)NCc1cnc(SC)s1 2257107403 XIJRTMWARDDCNC-ZETCQYMHSA-N 301.462 3.181 10 10 DGCE C[C@H](Nc1cnccc1Br)c1c(O)cccc1O 2264146486 NONRVWHOGWGASL-QMMMGPOBSA-N 309.163 3.428 10 10 DGCE CCCN(CCC)NCc1ccc(Br)cc1O 2302403284 JFBNTEIFIBHOIK-UHFFFAOYSA-N 301.228 3.281 10 10 DGCE Cc1ccc2nc(C(=O)O)c(N=Nc3ccccc3C(=O)O)n2c1 2320768599 IBXYCZZSBMGRET-UHFFFAOYSA-N 324.296 3.455 10 10 DGCE Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]32)c(O)c1Br 2352944585 JTGOZRYFIWOHHH-NEPJUHHUSA-N 324.218 3.364 10 10 DGCE CSc1ncc(CNC2(C(=O)O)CCC(C)(C)CC2)s1 2373936049 QKRZUHLJSMJOTC-UHFFFAOYSA-N 314.476 3.378 10 10 DGCE C[C@@H](Nc1cccc(S(C)(=O)=O)c1)c1ccc(F)cc1O 62747695 TVZSSCGSOOTWPY-SNVBAGLBSA-N 309.362 3.108 10 10 DGCE O=C(O)/C=C\c1ccc(N(CC(F)(F)F)C2CC2)c(F)c1 218215826 CNFSTEVJPSCBPA-KXFIGUGUSA-N 303.255 3.455 10 10 DGCE CC(C)OC(=O)CC1(c2ccccc2)C(=O)c2ccccc2C1=O 32285633 YYHVCZPIMFWHBY-UHFFFAOYSA-N 322.360 3.345 10 10 DGCE Cc1cccc(C)c1CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 186406333 ADGGNVNIGRVIDL-CQSZACIVSA-N 313.397 3.005 10 10 DGCE Oc1cccc(CNCc2cc(Br)cs2)c1O 71308054 YCAFYKBQCNBJJG-UHFFFAOYSA-N 314.204 3.212 10 10 DGCE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1C[C@@H](C)C[C@H](C)C1 198206974 KPFNNMPZGQKCHY-STQMWFEESA-N 311.385 3.369 10 10 DGCE C[C@H]1CN(c2ccc(CN)c(Br)c2)C[C@@H](C)S1 228153172 PJAANVQWHFXUJJ-AOOOYVTPSA-N 315.280 3.238 10 10 DGCE CC(C)C[C@@H](CN[C@H](C)c1ccc(F)c(F)c1O)N(C)C 191197225 MZYGBLAHOHEFHJ-NEPJUHHUSA-N 300.393 3.297 10 10 DGCE O=C(/C=C\c1cccc2cccnc12)N1CCOc2ncccc21 255516865 ISHJNZUIIFAPQM-HJWRWDBZSA-N 317.348 3.069 10 10 DGCE CN(Cc1cc(Cl)c(F)cc1O)[C@@H](CO)c1ccccc1 295039710 MMJJHQAVQWOFRR-HNNXBMFYSA-N 309.768 3.350 10 10 DGCE C[C@H](N[C@H]1C[C@@H]2C[C@@H]2C1)c1ccc(N2CCOCC2)c(F)c1 818359368 JMYFKTRYPQCXLZ-HNKHHVNMSA-N 304.409 3.111 10 10 DGCE CCOC(=O)[C@@H]1CCC[C@@H]1NCc1cc(Cl)cc(C)c1O 825040491 LHRLBWZPKRTQLY-KGLIPLIRSA-N 311.809 3.175 10 10 DGCE Cc1cc(CC(=O)N[C@@H]2CCSC2)c(C)n1-c1ccccc1 828974168 NQKVKUMCCQNTAZ-MRXNPFEDSA-N 314.454 3.258 10 10 DGCE COC(=O)/C=C\c1ccc(N(C)CC(C)(C)C)c([N+](=O)[O-])c1 726967850 FGXSPDJWZHREGN-CLFYSBASSA-N 306.362 3.263 10 10 DGCE CCOC(=O)c1ccc(CN(C)c2ccc(OC)c(F)c2)nc1 828039825 AKGHVTYNJKKHSN-UHFFFAOYSA-N 318.348 3.042 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCC[C@H](C)F 840378222 DAYRZNUUVGZJQM-UONOGXRCSA-N 309.429 3.039 10 10 DGCE Cc1cc(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)on1 746429262 CSSNNTFGAQQQDV-UHFFFAOYSA-N 323.396 3.363 10 10 DGCE C[C@@H](CNCc1cc(Cl)cc([N+](=O)[O-])c1O)c1ccncc1 749294429 GXEJFEZNBCSYQB-JTQLQIEISA-N 321.764 3.242 10 10 DGCE O=C(c1cc(O)cs1)N1CCC[C@H](Cc2nccs2)C1 928275092 YETZOKVKGWFFFS-SNVBAGLBSA-N 308.428 3.005 10 10 DGCE Oc1cc(OCc2ccccc2)ccc1[C@@H]1NCCCC[C@H]1O 1952133507 YEVANUYZRHPBAD-MJGOQNOKSA-N 313.397 3.147 10 10 DGCE Cc1cc(C(=O)NCc2ccc(N3CCCCC3)cc2)nc(C)n1 755189793 SZAKNIYUGXVSTC-UHFFFAOYSA-N 324.428 3.014 10 10 DGCE C/C=C/C[C@@H]1CCCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 863820395 YEMFOPBBBSQJIW-RCTBACHLSA-N 301.386 3.316 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)[C@H]1CC2CCC1CC2 862025798 BDFBUWOCCVBHOO-ZUEPYMLJSA-N 310.397 3.383 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1cc(C)cnc1F 866598782 PUHHXXPWDKIJCX-UHFFFAOYSA-N 302.349 3.287 10 10 DGCE CC[C@@H]1NCC[C@H]1NCc1ccc(N(C)C)cc1C(F)(F)F 863647052 VXCCRPLEFGILKO-LSDHHAIUSA-N 315.383 3.002 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H]1CC12CC2 862036191 RBRXTUMOGCOXFC-KRWDZBQOSA-N 308.381 3.189 10 10 DGCE C[C@H](NC(=O)N[C@H]1C[C@@]1(F)c1ccccc1)c1ccccc1O 868725806 PHNSGVLNJHYQML-ULFGMLNVSA-N 314.360 3.390 10 10 DGCE Cc1cc(Cl)cc(CN2CCO[C@@H](C(F)F)CC2)c1O 872257490 RWFGFTOCBAZYPF-GFCCVEGCSA-N 305.752 3.210 10 10 DGCE COc1ccc2c(c1)N(C(=O)/C=C\c1cncc(O)c1)CCCC2 779671285 XUVJUWQRMWTXTJ-YVMONPNESA-N 324.380 3.179 10 10 DGCE CCN1C(=O)/C(=C\c2cc(-n3ccnc3)cs2)SC1=S 783685229 LEMCSJWRMVKVAZ-IZZDOVSWSA-N 321.452 3.155 10 10 DGCE CO[C@@H](C)[C@H](C)NC(=O)c1sccc1-n1c(C)ccc1C 787412655 JVYLYUMSTRRNPU-STQMWFEESA-N 306.431 3.309 10 10 DGCE CCNCc1sc(-c2ccc(N(C)C)cc2)nc1COC 82446328 QHZUHEYELHIKHE-UHFFFAOYSA-N 305.447 3.132 10 10 DGCE O=C(/C=C\c1cncc(O)c1)N1CCCCc2sccc21 798047790 QVJDICDZDIYMGE-PLNGDYQASA-N 300.383 3.231 10 10 DGCE COc1ccc(/C(C)=C/C(=O)NCc2ccc(N(C)C)cc2)cc1 1135825530 XMJDAQYABLBFMK-FYWRMAATSA-N 324.424 3.481 10 10 DGCE C[C@@H](N)c1ccc(N(C)C(C)(C)CCO)cc1Br 688348459 QYZFWGYFCKVLHZ-SNVBAGLBSA-N 315.255 3.066 10 10 DGCE F[C@@H]1CCN(c2ccc(CNC3CC3)c(Br)c2)C1 689823859 DZRXKPNRCKHVAM-LLVKDONJSA-N 313.214 3.249 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN(C(=O)CCOCc2ccccc2)C1 1958667188 DKNQJBGHHGXPKZ-OAHLLOKOSA-N 302.378 3.142 10 10 DGCE COCC1(CCNCc2ccc(Br)cc2O)CC1 1330817779 KHEZAAOECHUEBY-UHFFFAOYSA-N 314.223 3.061 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1C[C@@H]1Cc1ccccc1 1264009199 LPLREGPENZHPDH-LVKZSUFYSA-N 323.392 3.106 10 10 DGCE O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCC[C@H](F)C1 1348957285 FOSMVSZZTACFLD-CVEARBPZSA-N 304.409 3.431 10 10 DGCE COc1ccc(CNC[C@H](C)N(C)C(=O)C2=CCCC2)cc1C 1270939784 VLYPJFRXVIXYLB-HNNXBMFYSA-N 316.445 3.050 10 10 DGCE OCCCN(Cc1ccccc1)c1ccc(CNC2CC2)cc1 1914636359 GMGNJIUDWLNQGJ-UHFFFAOYSA-N 310.441 3.328 10 10 DGCE CCC[C@H](OC)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1525113883 SKZOUFFDIWFZGL-KRWDZBQOSA-N 304.434 3.060 10 10 DGCE Cc1csc(CCCC(=O)NCc2ccc(N(C)C)cc2)n1 1539049650 KIQPJWAPJCSWKE-UHFFFAOYSA-N 317.458 3.157 10 10 DGCE Oc1ccc(O)c(CNc2ncnc3c2oc2ccccc23)c1 1472869121 MRDCDZAOGASXCY-UHFFFAOYSA-N 307.309 3.399 10 10 DGCE COC(=O)[C@H](c1ccc(Cl)cc1)N(C)Cc1ccccc1O 1559607256 GSQUKCOEQQWLIF-INIZCTEOSA-N 319.788 3.392 10 10 DGCE CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CNC(=O)Cc1ccc(O)c(O)c1 1583966287 JMOVFQFVOWTXSX-FVQBIDKESA-N 319.445 3.465 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@]1(C)[C@@H](N)c1ccccc1O 1928468279 UWYLSKIXMBGZSB-WMLDXEAASA-N 306.406 3.182 10 10 DGCE CCc1noc(C)c1NC(=O)NCc1ccc(N(C)C)cc1C 155691270 BGXCTKZMHILONO-UHFFFAOYSA-N 316.405 3.242 10 10 DGCE CCN(CC)c1ccc(CNCCC(=O)NCCC(C)C)cc1 1857859486 QULWLJWHWBCOQW-UHFFFAOYSA-N 319.493 3.175 10 10 DGCE CCCN(CCCCN=[N+]=[N-])C1CN(C(=O)OC(C)(C)C)C1 1962300744 RVKOQHKXACGUFT-UHFFFAOYSA-N 311.430 3.408 10 10 DGCE Oc1cc(F)ccc1CNCc1csc(C(F)(F)F)n1 1967712735 GPXWEHZUTLNFMI-UHFFFAOYSA-N 306.284 3.296 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H]1CNCc1c(O)cccc1F 1976876430 AZYBZVPJTMONDK-LBPRGKRZSA-N 324.396 3.020 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@]2(Nc3ccc(N)cc3)C[C@@H]2C1 1977675367 YHXOVHJOAUDYHD-FZKQIMNGSA-N 317.433 3.470 10 10 DGCE CN(C)c1ccc([C@@H](O)[C@H](NC(=O)OC(C)(C)C)C2CC2)cc1 1977940268 XDPHDPGNNKINAK-HZPDHXFCSA-N 320.433 3.089 10 10 DGCE CC[C@H]([C@H](N)c1ccc(N(C)C)cc1)N(C)C(=O)OC(C)(C)C 1977946551 VYTLIYWBZPBRIT-HZPDHXFCSA-N 321.465 3.398 10 10 DGCE C[C@H](N[C@H](C)[C@H]1CCN1C(=O)OC(C)(C)C)c1ccccc1O 1989690637 UZCOSUJPBAVRSP-GZBFAFLISA-N 320.433 3.441 10 10 DGCE C[C@H](NCc1cccc(Br)c1O)c1cnsc1 1998189654 PXCZIZCTFZRPNE-QMMMGPOBSA-N 313.220 3.462 10 10 DGCE CNCc1ccc(N2CC[C@H](OCc3ccccc3)C2)c(C#N)c1 384092000 KHEDPHFKLWMHJV-IBGZPJMESA-N 321.424 3.073 10 10 DGCE FC(F)OC1CN(c2ccc(CNC3CC3)c(Cl)c2)C1 398874904 DTFIUMXJWMTXES-UHFFFAOYSA-N 302.752 3.020 10 10 DGCE CCOC(=O)c1cc(CC)nn1Cc1c(O)cccc1Cl 2069895195 HUKJFBNDUFPRAP-UHFFFAOYSA-N 308.765 3.030 10 10 DGCE CCOC(=O)c1cc(CC)nn1Cc1cc(Cl)ccc1O 2069901142 KQWIGQKDFAYDNM-UHFFFAOYSA-N 308.765 3.030 10 10 DGCE CC1(C)C[C@]1(NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 1641299371 LCXWWLYRJWBQRI-IBGZPJMESA-N 311.381 3.082 10 10 DGCE CN(c1ccc(CN)c(Br)c1F)[C@@H]1CC[C@@H]2C[C@H]21 2046861130 FAUDHFRUJUOWSU-FBIMIBRVSA-N 313.214 3.282 10 10 DGCE CNCc1ccc(N(C)[C@@H]2CCC[C@@H]2F)cc1Br 2055374280 VLMZUGQVTVYZIL-UONOGXRCSA-N 315.230 3.495 10 10 DGCE C[C@H](O)c1ccc(N(C)[C@@]2(C)CCOC2)c(Br)c1 2055448141 JQEYRWSZWGQBNQ-HZMBPMFUSA-N 314.223 3.118 10 10 DGCE CN(CC1(CCF)CC1)c1ccc(CN)cc1Br 2074651765 SMYCZZJTQOBKFK-UHFFFAOYSA-N 315.230 3.484 10 10 DGCE CCNCc1ccc(N(C)Cc2cnco2)c(Br)c1 2105602681 SHHLHNXURVKQNB-UHFFFAOYSA-N 324.222 3.183 10 10 DGCE Nc1ccc(NC(=O)Nc2cc(Br)ccn2)cc1 217313704 PSGUMRHBYLDQAL-UHFFFAOYSA-N 307.151 3.070 10 10 DGCE CSc1ncc(CN[C@@H]2CC[C@H](P(C)(C)=O)C2)s1 2208836849 QOUWVNJBLGCBQW-ZJUUUORDSA-N 304.421 3.498 10 10 DGCE Cc1cc(N2CCN(Cc3ccccc3)CC2)ccc1[C@@H](C)O 2243957961 DXMRHRRWNPFGAO-QGZVFWFLSA-N 310.441 3.371 10 10 DGCE CN1CCc2cc([C@H](O)C(=O)c3cc(Cl)cs3)ccc21 2290364753 AHCNMPVWRWQCGG-AWEZNQCLSA-N 307.802 3.310 10 10 DGCE Cc1ccc2nc(CC(=O)O)c(N=Nc3ccccc3O)n2c1 2320772046 XFHBYPCFMKLSFM-UHFFFAOYSA-N 310.313 3.391 10 10 DGCE CSc1ncc(CN[C@](C)(C(=O)O)[C@@H](C)C(C)C)s1 2349507462 GWCBRYGMJIMMEI-ZANVPECISA-N 302.465 3.090 10 10 DGCE Cc1c[nH]c(=N)cc1NCc1ccc(C)c(Br)c1O 2352635339 DXOSDOWOGVXKKW-UHFFFAOYSA-N 322.206 3.191 10 10 DGCE FC(F)(F)CCCOc1ccc(N2CCCNCC2)cc1 130559667 IPKLRYJBWVMGJC-UHFFFAOYSA-N 302.340 3.208 10 10 DGCE CN1[C@H]2CCC[C@H]1CC(NCc1c(O)ccc(Cl)c1F)C2 191221880 JKZWKGFKLLWAIL-RYUDHWBXSA-N 312.816 3.290 10 10 DGCE [N-]=[N+]=NCCCN[C@@H](C(=O)O)c1ccccc1C(F)(F)F 90258758 CPXOKQRYVGEACE-SNVBAGLBSA-N 302.256 3.121 10 10 DGCE C[C@H](N)c1ccc(N(C)CCCOCc2ccccc2)cc1O 384067296 JDPSHYPWLIPNBC-HNNXBMFYSA-N 314.429 3.455 10 10 DGCE CCCN[C@@H](C)c1cnc(SCC(C)(C)C(=O)OC)s1 2159807908 RTOTZVVRMWRNFV-JTQLQIEISA-N 316.492 3.495 10 10 DGCE CC(=O)NCC[C@H]1CCCN(Cc2cc(Cl)cc(C)c2O)C1 809778730 VIHJKLXAOVOYQS-CQSZACIVSA-N 324.852 3.092 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CC[C@H](OC)C2)cc1 819974530 NTEKFEFXEPWFKB-AEFFLSMTSA-N 318.461 3.306 10 10 DGCE CCOc1cccc(CNC[C@H]2CC23CCSCC3)c1O 817411244 QDNPXDLYRWPHLY-CQSZACIVSA-N 307.459 3.414 10 10 DGCE CCOc1ccc(O)c(CNC[C@@H]2CCO[C@H](C(C)C)C2)c1 824798568 DZHLTFUTPXYSQC-KDOFPFPSSA-N 307.434 3.332 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@@H](CC(C)(C)C)C(=O)O)cc1 901806338 PNKLWKFUIJCZNJ-WLMCBFPDSA-N 304.434 3.245 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@](C)(CO)c2ccccc2)cc1 835039079 GDWXKFGZLBORAT-AQKVLALTSA-N 310.441 3.263 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@H](CC(=O)O)C2CCCC2)cc1 904043900 XNJJVKARLVNXKM-DUMMIQTOSA-N 316.445 3.389 10 10 DGCE C[C@H]1CN(Cc2cc3c(cc2O)CCC3)C[C@H](C(F)(F)F)O1 744445455 VSNUVRIRHMXFDV-ZUZCIYMTSA-N 315.335 3.033 10 10 DGCE CCCC[C@@](C)(CO)NCc1cc(Br)ccc1O 842745455 BSFQSFOIODAQHL-AWEZNQCLSA-N 316.239 3.186 10 10 DGCE CCc1cccc(CN[C@H](C(C)C)C2(CO)CC=CC2)c1O 848919454 LKUVVYFOLFYVAV-GOSISDBHSA-N 303.446 3.398 10 10 DGCE COc1cccc([C@H](C)N[C@H](C2CC2)[C@@H]2CCCOC2)c1O 927066559 MLDZBMNBLFCMST-DXCKQFNASA-N 305.418 3.257 10 10 DGCE c1csc(SCCCNCc2ccc3nc[nH]c3c2)n1 752264137 BHIGVAZBFQWWAD-UHFFFAOYSA-N 304.444 3.291 10 10 DGCE CCOC(=O)C1=CC[C@H](NCc2ccc3ccccc3c2O)C1 862489059 YLALQAYUBHQHOT-INIZCTEOSA-N 311.381 3.287 10 10 DGCE C[C@@H]1CC2(CCC2)CN1Cc1ccc(N2CCOCC2)c(F)c1 763646846 KUJQYLRPJYZVEN-OAHLLOKOSA-N 318.436 3.427 10 10 DGCE CCN(CC)c1ccc(CNCc2cccnc2F)cc1F 793290685 VIQGRMMMTDSMIZ-UHFFFAOYSA-N 305.372 3.496 10 10 DGCE C[C@H]1CN(Cc2ccccc2)CC[C@H]1NCc1ccccc1O 397995899 BWLLORXDBTVQFE-QFBILLFUSA-N 310.441 3.392 10 10 DGCE CC[C@@H]1COC[C@@H]1N(C)Cc1ccc(Br)cc1O 691678165 FWFONSXBVRLLPV-MFKMUULPSA-N 314.223 3.012 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)c1cc(F)c(F)cc1F 1146233618 YKNGCTGXBPYSEV-UHFFFAOYSA-N 315.678 3.393 10 10 DGCE Cc1ccc(-c2cc(C(=O)N[C@H](C)c3ccccc3O)n[nH]2)o1 1151885725 DREZGRNMBLJGPH-LLVKDONJSA-N 311.341 3.175 10 10 DGCE COC(=O)/C=C(/C)CSc1ncc(-c2ccccc2)n1C 1165276395 YXBGHZAVBOIJEI-XFXZXTDPSA-N 302.399 3.299 10 10 DGCE C[C@H]1C(=O)CC[C@H]1CC(=O)NCc1c(O)ccc2ccccc12 1179032497 IWMZCHDSDBHQGV-OCCSQVGLSA-N 311.381 3.167 10 10 DGCE CN(C)c1cc(F)c(CN[C@@H]2C[C@H]3[C@@H](C2)C3(F)F)cc1F 1334908937 PSLBZQHTVNZLSZ-JGPRNRPPSA-N 302.315 3.164 10 10 DGCE Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1ccns1 1331950727 MUBYXGIRSPUGBK-UHFFFAOYSA-N 312.416 3.081 10 10 DGCE COCCN(CCOC)/N=N/c1cccc(Br)c1 1860481273 CMUJXCPHPTUZKF-CCEZHUSRSA-N 316.199 3.043 10 10 DGCE CCOC(=O)CCN(C)/N=N/c1ccc([N+](=O)[O-])cc1Cl 1860483759 IIUORHTWQUCXPN-CCEZHUSRSA-N 314.729 3.132 10 10 DGCE CO[C@@H]1CCN(c2ccc([C@H](C)O)cc2Br)[C@@H]1C 1914236550 OFCPQNBKTFXZLK-ISTVAULSSA-N 314.223 3.116 10 10 DGCE C[C@@H](NCc1ccnc(Br)c1)c1ccccc1O 1460638947 QHJKFSWOQAGQRA-SNVBAGLBSA-N 307.191 3.401 10 10 DGCE O=C(NCCc1ccc(O)c(O)c1)c1sccc1C(F)F 1465981224 FGVRFGOZINFWES-UHFFFAOYSA-N 313.325 3.069 10 10 DGCE COc1cccc(F)c1C(=O)NCc1cccc(Cl)c1O 1472316817 ILRYOGDXNSFTJX-UHFFFAOYSA-N 309.724 3.123 10 10 DGCE CCNc1ccc(Cl)cc1C(=O)NCc1cc(O)ccc1O 1471662230 UNQOIQIGKGRTSC-UHFFFAOYSA-N 320.776 3.113 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCC=CO1 1630709665 LWQKKWNFEFIZKR-KRWDZBQOSA-N 302.418 3.182 10 10 DGCE Cc1ccc(O)c(CNC(=O)/C=C/SCc2ccco2)c1 1557552272 AYPFCXMXHODVEY-SOFGYWHQSA-N 303.383 3.357 10 10 DGCE COC(=O)c1ccc(CN(C)Cc2ccccc2O)cc1Cl 1644813797 VDTMYUIHRUXPFT-UHFFFAOYSA-N 319.788 3.464 10 10 DGCE Cn1cnc(/C=C\C(=O)N2CCCc3cc(F)cc(Cl)c32)c1 1583658621 HGOTWDHMICWICP-PLNGDYQASA-N 319.767 3.205 10 10 DGCE O=C(NCc1c(O)cccc1F)C1CCc2ccccc2CC1 1652298573 MOFJMHVZZUJABF-UHFFFAOYSA-N 313.372 3.343 10 10 DGCE CC[C@H](C)CONC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C 1682865589 BUHZDSIIUFYSGZ-DZGCQCFKSA-N 321.465 3.269 10 10 DGCE COc1cccc(CN[C@@]2(CO)C[C@H](C)CC(C)(C)C2)c1O 152400009 NTEGHKHPWGSNJE-ACJLOTCBSA-N 307.434 3.068 10 10 DGCE CCc1[nH]nc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)c1C 155788606 XFPMSEUGVSOCSB-UHFFFAOYSA-N 323.356 3.097 10 10 DGCE CN(c1ccc(O)cc1)[C@H](CN)c1c(O)ccc2ccccc12 33453686 YCMAPTHTZSOUIV-QGZVFWFLSA-N 308.381 3.387 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@]2([C@@H](N)c2ccccc2O)C1 1936985183 SKBHUKJPYPHPHW-IMPJKCEKSA-N 318.417 3.085 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@](C)([C@H](N)c2ccccc2O)C1 1936970143 JCAUGFKDLIUWDG-CRAIPNDOSA-N 320.433 3.429 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCC[C@]1(C)[C@H](N)c1ccccc1O 1936967289 GDPKFGSFMAAWQT-RKVPGOIHSA-N 320.433 3.476 10 10 DGCE Cc1cccc(O)c1CNCc1nccn1Cc1ccccc1 1976876033 SABLATUXILZALF-UHFFFAOYSA-N 307.397 3.235 10 10 DGCE CN1CCc2cc([C@H](O)c3cnn(Cc4ccccc4)c3)ccc21 1999507804 HNHXOGSLBHVKLD-FQEVSTJZSA-N 319.408 3.005 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@@H]3[C@H](CCN3Cc3ccccc3)C2)cc1 2015063048 KLFFNXLNQNELDR-OZOXKJRCSA-N 321.468 3.417 10 10 DGCE Cc1ccc2nc(Sc3ncc(C[C@@H](C)N)s3)[nH]c2c1 2155373793 UVYWIQXFIZRFNV-SECBINFHSA-N 304.444 3.369 10 10 DGCE CCCN[C@]1(CO)CCC[C@@H](CSc2nccs2)C1 403077720 YRWJZLBMLHZUQR-TZMCWYRMSA-N 300.493 3.156 10 10 DGCE CN[C@H](CSc1nccs1)c1ccc(OC)c(OC)c1 81889383 SPFTXWPWINVKHR-LLVKDONJSA-N 310.444 3.213 10 10 DGCE CN(Cc1ccsn1)c1ccc(CN)c(Br)c1 705698219 CBOPMKVZKMDSBM-UHFFFAOYSA-N 312.236 3.001 10 10 DGCE Cn1c(C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)cc(Cl)c1Cl 706344673 UIAXNPKLWPQDIO-SSDOTTSWSA-N 302.165 3.247 10 10 DGCE C[C@H]1CC[C@@H](CCN(C)c2cc(Cl)c(CN)cc2F)O1 2177381896 SIOHUINVECSWJN-JQWIXIFHSA-N 300.805 3.332 10 10 DGCE NCc1cc(-c2ccccc2)nn1Cc1c(O)cccc1Cl 2070133743 HUQPCPOGKUZBNA-UHFFFAOYSA-N 313.788 3.416 10 10 DGCE CC[C@@H]1C[C@H](Sc2nccs2)C[C@@](CO)(NC2CC2)C1 2175441783 KNCVPHBZHWMYIV-ZLDLUXBVSA-N 312.504 3.297 10 10 DGCE Cc1cc(Br)cc(CN2C[C@@H](F)C[C@@H](F)C2)c1O 2062327438 MNXNTAPHIPEJNW-TXEJJXNPSA-N 320.177 3.345 10 10 DGCE Cc1cc(CN)ccc1N(C)Cc1cc(Br)cn1C 2114688079 KKILYUCEEDFCQP-UHFFFAOYSA-N 322.250 3.191 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)c1cccc(Br)c1 2218746684 XYXVHVZWRKDOKC-GHMZBOCLSA-N 309.167 3.410 10 10 DGCE CCCN[C@@H](C)c1cnc(SCCC(=O)OCC)s1 2266604327 TXZYRRBZBYSNAW-JTQLQIEISA-N 302.465 3.249 10 10 DGCE CCN1C(=O)C(=CC=Cc2ccc([N+](=O)[O-])cc2)SC1=S 2313532970 BRJCPHDCOPTSEN-UHFFFAOYSA-N 320.395 3.372 10 10 DGCE O=C(O)C1CCN(N=Nc2ccc(Br)cc2)CC1 2330209931 RHEMBBMMZHAGQZ-UHFFFAOYSA-N 312.167 3.244 10 10 DGCE Cc1ccc(CNc2c(C)n[nH]c2C)c(O)c1Br 2327627317 UEPBEDXSEQICPT-UHFFFAOYSA-N 310.195 3.415 10 10 DGCE Cc1cc(C(=O)N2CCOC[C@@H]2C)c(C)n1-c1cccc(F)c1 68102045 ZWPYBARIYCIHRI-ZDUSSCGKSA-N 316.376 3.094 10 10 DGCE Cc1nc(C(=O)NCc2ccc(N3CCCC3)cc2)c(C)s1 179110308 OXIRHIQZPVFMCK-UHFFFAOYSA-N 315.442 3.290 10 10 DGCE CCCNCc1ccc(N(C)[C@H](C)CO)c(C(F)(F)F)c1 122663702 RTLKCVIKSDVDFZ-LLVKDONJSA-N 304.356 3.022 10 10 DGCE Cc1cc(Cl)cc(CN2CCC[C@@H]2Cn2ccnc2)c1O 188420537 FHKASRIIABWICC-OAHLLOKOSA-N 305.809 3.215 10 10 DGCE Cc1cc(C(=O)N2CCOC3(CCC3)C2)c(C)n1-c1ccccc1 127909793 MBHBNEYFJXFIHP-UHFFFAOYSA-N 324.424 3.489 10 10 DGCE CCSc1cc(CNCc2ccc(OC)cc2O)ccn1 189594062 GSYOJGSUBMADAV-UHFFFAOYSA-N 304.415 3.198 10 10 DGCE C[C@@H](N[C@@H]1CCN(CC2CCCC2)C1)c1ccc(F)cc1O 185594929 ANWBMKWCHZKJNL-CZUORRHYSA-N 306.425 3.446 10 10 DGCE O=C(NCc1nc(-c2ccc(O)c(O)c2)cs1)C1CCCC1 49699388 ICKWIJWZQTXYIG-UHFFFAOYSA-N 318.398 3.028 10 10 DGCE CC(C)(C)OC(=O)N[C@H](CC(=O)O)c1ccc(Cl)cc1O 238147284 WPBRDXQEJJAFTI-SNVBAGLBSA-N 315.753 3.086 10 10 DGCE CCOc1cccc(CN2CC[C@H](C)[C@@H](n3ccnc3)C2)c1O 246796528 QQROXWRHXDPXKM-HOCLYGCPSA-N 315.417 3.071 10 10 DGCE CN(C)c1ccc(/C=C2/N=C(COc3ccccc3)OC2=O)cc1 243684756 PIUZRTZSFDWHKQ-UHFFFAOYSA-N 322.364 3.128 10 10 DGCE Cc1ccc([C@@H](C)NC[C@@H]2c3ccccc3C(=O)N2C)c(O)c1 528003721 LUXQMFUNGGERFL-CXAGYDPISA-N 310.397 3.178 10 10 DGCE CC[C@H](NCC1(O)Cc2ccccc2C1)c1ccc(F)cc1O 367614933 JGPLSXXAQBDHGL-KRWDZBQOSA-N 315.388 3.102 10 10 DGCE COc1cc(Cl)cc(CN2CCC(c3ncc[nH]3)CC2)c1O 273750087 NGVXDQDOALNZFV-UHFFFAOYSA-N 321.808 3.157 10 10 DGCE Cc1cc(O)ccc1CNCc1cccc(Br)c1O 2279003989 JGNDOVADGIUUNF-UHFFFAOYSA-N 322.202 3.459 10 10 DGCE CO[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C1CCC1 821033273 NUNNAZRCNSZSQH-GOSISDBHSA-N 316.445 3.059 10 10 DGCE C[C@H](N[C@@H](CCN(C)C)c1cccnc1)c1ccc(F)cc1O 903380777 PHVRYSKDKFLXLE-GUYCJALGSA-N 317.408 3.270 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)[C@H]1CCCO1 906345775 VUTQNHKIRXAIRH-CRAIPNDOSA-N 318.461 3.305 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@H](CCO)c2ccccc2)cc1 835039292 CSTKMNLJKUCLGC-PXDRNWIDSA-N 310.441 3.479 10 10 DGCE COC(C)(C)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C 730770105 QWIPIXJDEMLCLE-UHFFFAOYSA-N 314.429 3.178 10 10 DGCE COc1ccc2ccc(O)c(CN3C[C@H]4[C@H](C3)C4(F)F)c2c1 844752232 GQAMIKLTVAHSQA-GJZGRUSLSA-N 305.324 3.251 10 10 DGCE COc1cc(O)c(CNCC[C@]2(C)C[C@]2(F)Cl)cc1OC 846035576 HDWXSXFUSXQTEP-HUUCEWRRSA-N 317.788 3.204 10 10 DGCE COc1cccc(CN2CCC3(CC2)C(F)(F)C3(F)F)c1O 846016631 ZCFRTYMHQCWTNO-UHFFFAOYSA-N 319.298 3.267 10 10 DGCE CCOc1cccc(CN[C@H](C)[C@](C)(O)c2ccccc2)c1O 846034700 BMZPQCRJGIPVOV-KUHUBIRLSA-N 315.413 3.177 10 10 DGCE CNC1(c2cc(Br)cc(Br)c2O)CC1 1952371364 FQGDBGKPKQSKRL-UHFFFAOYSA-N 321.012 3.126 10 10 DGCE CC[C@](C)(NCc1ccc(N2CCN(C)CC2)cc1)C1CC1 850383269 DEDYLWKKKUBGGO-IBGZPJMESA-N 301.478 3.107 10 10 DGCE C[C@@]1(CNC(=O)NCc2c(O)ccc3c2CCCC3)CC1(F)F 852581402 LZGAHYOQKREYRI-INIZCTEOSA-N 324.371 3.116 10 10 DGCE CC(C)(C)OC(=O)N[C@@]1(c2c(N)cccc2O)CC=CCC1 1953070601 AZKGMVWRAUYECK-KRWDZBQOSA-N 304.390 3.435 10 10 DGCE Cc1ccc([C@@H](C)N[C@@H]2Cc3ccccc3N(C)C2=O)c(O)c1C 850502773 ZHIIKMTWJPDMJA-RHSMWYFYSA-N 324.424 3.247 10 10 DGCE CCOC(=O)C1=CC[C@H](N[C@H](C)c2ccc(Cl)cc2O)C1 858508360 MYYYXYHXWLLBBS-MFKMUULPSA-N 309.793 3.348 10 10 DGCE C[C@H](NCC[C@@H]1CCOC1)c1ccc(Br)cc1O 757658634 SHFRLYDYXSXJSG-WDEREUQCSA-N 314.223 3.232 10 10 DGCE COc1ccc(N2CCC(N[C@H]3C[C@H](SC)C3)CC2)cc1 865733521 LCWYOGWLUKGUMK-CZIWCDLHSA-N 306.475 3.148 10 10 DGCE CC(C)(C)OC(=O)C(=O)CSc1ncc(C(C)(C)C)s1 863314087 AKPJJVVCICMFDV-UHFFFAOYSA-N 315.460 3.444 10 10 DGCE O=C(/C=C\c1cnc2ccccc2n1)N1CCc2cccc(F)c21 768585527 FLJXCEUOFNCBPK-HJWRWDBZSA-N 319.339 3.371 10 10 DGCE Cn1ncc(NCc2cccc(Br)c2O)c1C1CC1 769926666 YEENWRODAOJKSK-UHFFFAOYSA-N 322.206 3.378 10 10 DGCE CC/C=C(/F)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 865115229 HFQADXPWFAGMTJ-AYSLTRBKSA-N 306.381 3.044 10 10 DGCE Oc1cc2c(cc1CN1CCC[C@@]3(CC=CCC3)C1)[C@@H](O)CO2 768445664 GKKVGTDVYQQPGM-HKUYNNGSSA-N 315.413 3.140 10 10 DGCE C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1cn2ccccc2n1 788583036 ISHPAIXNGACCJB-CYBMUJFWSA-N 312.392 3.390 10 10 DGCE Nc1ccc(OC[C@@H]2Cc3cc(Br)ccc3O2)cc1 90900473 YDLKVBHHSXYCAC-AWEZNQCLSA-N 320.186 3.414 10 10 DGCE C[C@@H]1CC(CNC(=O)NCc2c(O)cccc2F)C[C@@H](C)C1 1230793592 PNNIFFHBWZBGJZ-RYUDHWBXSA-N 308.397 3.403 10 10 DGCE CC(C)CO[C@@H](C)C(=O)NCc1c(O)ccc2ccccc12 1179029874 USSRHWTXQVYVJD-ZDUSSCGKSA-N 301.386 3.223 10 10 DGCE COc1cccc(/C(C)=C\C(=O)NCc2c(O)cccc2F)c1 1178413462 SEHSAWHAJLYUOY-XFXZXTDPSA-N 315.344 3.260 10 10 DGCE CN(Cc1ccccc1O)C(=O)NC[C@H]1C[C@H]1Cc1ccccc1 1346955087 WNKXMUSOPBQNDJ-QZTJIDSGSA-N 324.424 3.412 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)C[C@@H]2CC=CCC2)cc1 1437378538 GYUWCVRLDIGWAC-MRXNPFEDSA-N 316.445 3.336 10 10 DGCE [N-]=[N+]=N[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 1912200422 HEYVDPXFOOUFIY-MRVPVSSYSA-N 321.189 3.067 10 10 DGCE COCCCC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C 1531612076 LGNOCPKUMMVTDN-UHFFFAOYSA-N 314.429 3.445 10 10 DGCE C[C@H](NC(=O)[C@H](O)c1ccc(Cl)cc1F)c1ccccc1O 1471194192 FKSIJACMCPCPRU-BJOHPYRUSA-N 323.751 3.096 10 10 DGCE CC(C)n1ccnc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 1633315783 WSKGABACYXZGSH-ZDUSSCGKSA-N 300.406 3.021 10 10 DGCE CC(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2O)c(F)c1 1648889578 BYGAULDZJRBFMA-SNVBAGLBSA-N 301.317 3.225 10 10 DGCE C[C@H](NC(=O)C1=Cc2cc(F)ccc2OC1)c1ccccc1O 1648892363 XKHWVPIXVGOXDW-NSHDSACASA-N 313.328 3.185 10 10 DGCE O=C(Nc1nccn1C1CC1)c1cc2cc(O)c(O)cc2s1 1642545642 TWPHWEIEOSJLNK-UHFFFAOYSA-N 315.354 3.096 10 10 DGCE C[C@H]1Cc2cc(NC(=O)/C=C\c3ccc(O)c(O)c3)ccc2O1 1652972584 JITQIVHHXJNASV-UFVHFEBBSA-N 311.337 3.073 10 10 DGCE CCN(CC)c1ccc(CNC(=O)c2c(C)cccc2O)cc1 1596578678 KMMRUWWJTLPDQN-UHFFFAOYSA-N 312.413 3.477 10 10 DGCE Nc1ccc(CCNC(=O)c2cc(F)c(Cl)cc2F)cc1 167438087 DZAJTUMOJFQGTO-UHFFFAOYSA-N 310.731 3.173 10 10 DGCE O=[N+]([O-])c1ccc(O)c(N=c2[nH]nc(C3CCCCC3)s2)c1 1859842742 DSQYCMPTYDWWAO-UHFFFAOYSA-N 320.374 3.365 10 10 DGCE CCOC(=O)c1c(C)nn2c(O)c(C3CCCCC3)c(C)nc12 105373083 BVFHQTASKBEYEO-UHFFFAOYSA-N 317.389 3.276 10 10 DGCE CN[C@@H](c1ccccc1O)[C@@H](NC(=O)OC(C)(C)C)C1(C)CC1 1937586417 YZMDYJPSMHQIHQ-LSDHHAIUSA-N 320.433 3.346 10 10 DGCE Cc1cc(NC(=O)Nc2ccc(N)cc2)ncc1Br 1876152638 IXQSBQNYMFOHIF-UHFFFAOYSA-N 321.178 3.379 10 10 DGCE CN[C@H](C[C@H]1C[C@H]1CNC(=O)OC(C)(C)C)c1ccccc1O 1899729132 QAJKFJZIPBEVMD-VNHYZAJKSA-N 320.433 3.204 10 10 DGCE Oc1c(F)cc(Br)cc1CNC[C@H]1C[C@H](F)C1 1947684722 VKXXWPYFYFJOFR-GVJMRKKJSA-N 306.150 3.132 10 10 DGCE CN(Cc1cccc(Br)c1O)C[C@@]1(C)CCCO1 1973983574 GRYIAMAZPUCZOX-CQSZACIVSA-N 314.223 3.156 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1Nc1c(N)cccc1F 1977683477 RCVOMZWCYZSJIG-BXUZGUMPSA-N 323.412 3.465 10 10 DGCE C[C@@H]1[C@@H](CN(C)c2ccc(CO)cc2Br)C1(F)F 2036078633 RBQZMGBUXRUHAV-PSASIEDQSA-N 320.177 3.279 10 10 DGCE C[C@]12CC[C@H]1CCN2c1cc(Br)c(CN)cc1F 2039544765 SYOCCYFFQPXIRT-HZMBPMFUSA-N 313.214 3.426 10 10 DGCE CC[C@H](NCC1CCC2(CC1)OCCO2)c1ccccc1O 190323990 XNOIBIWFMOVLNT-INIZCTEOSA-N 305.418 3.366 10 10 DGCE OC[C@H]1CCC[C@H](NCc2cc(Cl)cc(Cl)c2O)C1 311513065 RVXNAIPFRLKJDZ-CABZTGNLSA-N 304.217 3.340 10 10 DGCE CN[C@@H](CSc1nccs1)c1ccc(OC)cc1OC 81889176 NGYYNDFKYJEYOS-LBPRGKRZSA-N 310.444 3.213 10 10 DGCE NCc1cc(C2CCCCC2)nn1Cc1cccc(F)c1O 2070086832 KLDAYNHSUDXDAY-UHFFFAOYSA-N 303.381 3.283 10 10 DGCE C[C@H]1CO[C@@H](CN(C)Cc2c(O)cccc2Br)C1 2047491321 OAMIEBVRQIGKNP-GHMZBOCLSA-N 314.223 3.012 10 10 DGCE COc1cccc(O)c1CNc1cnc(C)c(Br)c1 2104438445 NBDPNEBHGCKZLK-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE Cc1ccc(Br)c([C@H](O)[C@H](N)c2ccccc2O)c1 2228071519 CHHDPYDVLNQDME-CABCVRRESA-N 322.202 3.197 10 10 DGCE C[C@H](c1ccc(Cl)cc1O)N(C)C[C@@H](F)[C@H]1CCOC1 2238371209 XJOUKHGRDWVIMC-UHIISALHSA-N 301.789 3.413 10 10 DGCE C[C@@H](N)c1ccc(N2CCO[C@@H](P(C)(C)=O)C2)c(Cl)c1 2289304579 GZCCLCWVJYLQNN-YGRLFVJLSA-N 316.769 3.145 10 10 DGCE COc1cccc(C2=NC(=Cc3ccc(N(C)C)cc3)C(=O)O2)c1 2297296153 RLBRMSLPHMHLMC-UHFFFAOYSA-N 322.364 3.106 10 10 DGCE CCCC1=NN(C)C(=O)C1=Cc1ccc(OCC)c(OC)c1 2332124491 HVADFZZQMUILMX-UHFFFAOYSA-N 302.374 3.105 10 10 DGCE CN(C)c1c(Cl)cccc1NC(=O)Cc1ccc(N)cc1 37003959 DNOMBKMWEJLZIB-UHFFFAOYSA-N 303.793 3.169 10 10 DGCE Cc1ccc(NC(=O)NC(=O)[C@H](C)Sc2nccs2)cc1 52914627 GVBYBEPYRZUFOS-JTQLQIEISA-N 321.427 3.280 10 10 DGCE CCN(CC)c1ccc(CNC(=O)N2CCCSCC2)cc1 80069700 GNZPDQCWUOGYAN-UHFFFAOYSA-N 321.490 3.181 10 10 DGCE Cc1cc(Br)cc(CN(C)C2CCOCC2)c1O 124556146 FRRHPUCIKDHVAI-UHFFFAOYSA-N 314.223 3.074 10 10 DGCE NC1CCN(c2ccc(OCCCC(F)(F)F)cc2)CC1 130561287 FNPAPNZUYZSWJQ-UHFFFAOYSA-N 302.340 3.335 10 10 DGCE Cn1c(-c2ccccc2)cnc1SC[C@H](O)C(F)(F)F 157993973 KPWYQYOQBACHPV-NSHDSACASA-N 302.321 3.102 10 10 DGCE CC[C@@H](Nc1cccc(-n2nnnc2C)c1)c1ccccc1O 192822282 NMGPLPLNXUTSIX-MRXNPFEDSA-N 309.373 3.240 10 10 DGCE CC(=O)N(C(=O)Nc1cc(Cl)ccc1O)c1ccc(N)cc1 242767400 DPWJMCVVXFNGLF-UHFFFAOYSA-N 319.748 3.213 10 10 DGCE C[C@H]1CCN(Cc2cccc(Cl)c2O)C[C@H]1n1ccnc1 245863840 PNIDRYUWTMGIGT-SWLSCSKDSA-N 305.809 3.325 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@@H]2CCCC[C@H]2n2cccn2)c1 248484988 DRIIXEFLHLYROU-IAOVAPTHSA-N 315.417 3.432 10 10 DGCE CCO[C@@H]1C[C@H](NCc2ccccc2O)[C@H]1Oc1ccccc1 248577914 URCUZOJPNNQFTQ-QXAKKESOSA-N 313.397 3.107 10 10 DGCE Oc1cccc(-c2nc3c(Br)cccc3[nH]2)c1O 302396272 GQIXSQNAZMSLOD-UHFFFAOYSA-N 305.131 3.404 10 10 DGCE Nc1ccc(NC(=O)C2=NO[C@H](c3ccc(F)cc3F)C2)cc1 586033477 GCESNYZZDRCJQZ-HNNXBMFYSA-N 317.295 3.003 10 10 DGCE CCCCc1ccc(NC(=O)c2cc(O)c(O)c(O)c2)cc1 586735522 RARDTLAFUHSTKJ-UHFFFAOYSA-N 301.342 3.398 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)c1cc2c(s1)CCSC2 692850524 YVVVXDZKELQHFE-SNVBAGLBSA-N 308.432 3.452 10 10 DGCE CC(C)[C@@H]1COC[C@@H]1NCc1cc(Cl)cc(Cl)c1O 699460577 YNJPGBVYPUFNRE-AAEUAGOBSA-N 304.217 3.460 10 10 DGCE COc1ccc(O)c([C@@H](C)NCC[C@@H](OC)C(F)(F)F)c1 786953126 KRZPGHBSQSGUOL-NOZJJQNGSA-N 307.312 3.019 10 10 DGCE Oc1ccc(Cl)cc1CN1CCC[C@H](NCC2(F)CC2)C1 792980433 RBUFSJQZPVDLPM-AWEZNQCLSA-N 312.816 3.102 10 10 DGCE CC[C@@H](N[C@@H](CC(=O)NC)c1ccccc1)c1ccccc1O 795849703 QCSJXJNRQWSBJS-SJORKVTESA-N 312.413 3.310 10 10 DGCE C[C@@H](NCc1cnn(C)n1)c1ccc(N2CCCCCC2)cc1 806168309 IIWLGIPIICMKRK-OAHLLOKOSA-N 313.449 3.046 10 10 DGCE CCOc1ccc(CN[C@H]2CCCCC[C@H]2C(=O)OC)c(O)c1 824626409 ZAWFKKWQKYNKQT-CVEARBPZSA-N 321.417 3.002 10 10 DGCE Cc1cccc(CN[C@@H](c2ccncc2)C2(CO)CCC2)c1O 827941543 GGPCEWYLFIXHSZ-SFHVURJKSA-N 312.413 3.089 10 10 DGCE Cc1cc(O)c(CNC[C@@H](O)c2ccc(F)cc2)c(Cl)c1 840875261 LCZMOKDJCFNMTL-MRXNPFEDSA-N 309.768 3.316 10 10 DGCE Cc1cc(O)c(CNc2cc(CN(C)C)ccn2)c(Cl)c1 840881116 XLCZDLYCRDNEQU-UHFFFAOYSA-N 305.809 3.423 10 10 DGCE CN(C)c1ccc(/C=C\CNCC(F)(F)Br)cc1 842209907 KZUMLGRTTURTDI-ARJAWSKDSA-N 319.193 3.343 10 10 DGCE C[C@@H](NCCC1(CN)CC1)c1cc(Cl)c(Cl)cc1O 844920177 KPWAAIONRAAGPY-SECBINFHSA-N 303.233 3.479 10 10 DGCE COc1ccc(N2CC[C@H](NCc3ccc(C)s3)C2)cc1 850346286 RSWQCMRHFKXFTH-AWEZNQCLSA-N 302.443 3.434 10 10 DGCE CC[C@H](COCC1CC1)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O 850495207 YJHMJTHBOZVQCR-WCQYABFASA-N 308.378 3.156 10 10 DGCE Cc1ccc(O)c([C@@H](C)N[C@@H]2C(=O)N(C)Cc3ccccc32)c1 857875465 PFZNBESSTNEPCR-ACJLOTCBSA-N 310.397 3.065 10 10 DGCE CC(C)(C(=O)NCc1cc(Cl)ccc1O)[C@@H]1CCCCO1 869147463 RTHNPCUOXCUMRT-AWEZNQCLSA-N 311.809 3.257 10 10 DGCE CC[C@H](Oc1ccccc1C)C(=O)N1Cc2cccc(O)c2C1 871204322 YAMAKFQHVPWUNE-KRWDZBQOSA-N 311.381 3.400 10 10 DGCE c1ccc(OCCn2ccnc2)c(NCc2nccn2C2CC2)c1 892347263 XMAYVSDEKPJYMB-UHFFFAOYSA-N 323.400 3.106 10 10 DGCE CN(C)c1ccc([C@@H](CNCC2CCSCC2)N(C)C)cc1 898446831 CBVDOWDRMNBVNV-GOSISDBHSA-N 321.534 3.088 10 10 DGCE Cc1ccc([C@@H](C)NCc2nc(CN(C)C)cs2)c(O)c1 903223079 TWJZMFIIFQUQQG-GFCCVEGCSA-N 305.447 3.070 10 10 DGCE CC(C)[C@@H](CC(F)(F)F)NC(=O)NCc1c(O)cccc1F 922124784 GHZAQPYNPCIZPU-LLVKDONJSA-N 322.302 3.308 10 10 DGCE C[C@H](N[C@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1)c1ccccc1O 1168819988 XABWROMBTCSVEX-IHRRRGAJSA-N 320.433 3.441 10 10 DGCE C[C@H](NC(=O)c1ccnc(Br)c1)c1ccccc1O 1171730560 OJNOXIQADKOUSK-VIFPVBQESA-N 321.174 3.041 10 10 DGCE O=C(NCc1ccc(N2CC=CC2)cc1)N1CC=CC12CCCC2 1347385314 RDMYIUFSDBHVLS-UHFFFAOYSA-N 323.440 3.457 10 10 DGCE C[C@H]1C[C@H]1c1ccc(CCC(=O)NCc2cccc(O)c2O)o1 1347531307 UUVYYJNUKQARTL-SMDDNHRTSA-N 315.369 3.063 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@]1(C)CCCOC1 1356265099 AISHYJCUJAMAMV-LJQANCHMSA-N 316.445 3.062 10 10 DGCE CC[C@H]1Cc2ccccc2CN1C(=O)Cc1ccc(O)c(O)c1 1447375268 GSUFHQCILHQKTD-INIZCTEOSA-N 311.381 3.004 10 10 DGCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@H]2C[C@@H]2C)c1 1540817787 FOQAFBKGAQUIQA-BLLLJJGKSA-N 310.397 3.292 10 10 DGCE COC(=O)c1cccc2c1CCCN2Cc1ccc(N(C)C)cc1 1559628994 VKLNZVKHDSLHFC-UHFFFAOYSA-N 324.424 3.492 10 10 DGCE CC(C)Oc1ccc(C(=O)NCc2cc(Cl)ccc2O)cn1 1628666494 DYUPYQXJFNSMDO-UHFFFAOYSA-N 320.776 3.158 10 10 DGCE COc1ccc(N(CC(C)C)C[C@H]2CCC3(COC3)O2)cc1 1643477013 ZCTMJIGERMLVMD-QGZVFWFLSA-N 305.418 3.106 10 10 DGCE CCOc1ccc(N2CCN(CC3C[C@@H]4C[C@H]4C3)CC2)cc1 1653841226 XOHJRPLEAGSBRE-IAGOWNOFSA-N 300.446 3.253 10 10 DGCE CCOC(=O)CCN(C)/N=N/c1ccc(Cl)c([N+](=O)[O-])c1 1860483048 APZQLDHERUCKEX-CCEZHUSRSA-N 314.729 3.132 10 10 DGCE C[C@]1(C(=O)NCc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)CC1(F)F 1890740073 VUAQBVYXEQMYPN-JLJPHGGASA-N 320.383 3.337 10 10 DGCE Cc1cc(Br)c(F)c(C(=O)NCCCN=[N+]=[N-])c1 1912195259 OHTJIXIZQAOLOD-UHFFFAOYSA-N 315.146 3.327 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H](F)[C@@H]1c1cc(N)ccc1O 1953069577 QDFIJYRBLFOJDY-OCCSQVGLSA-N 310.369 3.385 10 10 DGCE C[C@@H](O)c1ccc(N2CC(F)(C3CC3)C2)c(Br)c1 2052007440 BZYNRODWBOGNIX-SECBINFHSA-N 314.198 3.441 10 10 DGCE CC[C@@](C)(CN(C)Cc1c(O)cccc1Br)OC 2066247273 JFIUPMZHDKCMRY-AWEZNQCLSA-N 316.239 3.402 10 10 DGCE CCc1cc(C(=O)OC(C)(C)C)n(Cc2c(O)cccc2F)n1 2070016791 KYJFHGCSCPXZRI-UHFFFAOYSA-N 320.364 3.294 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)c2ccnc(Br)c2)CC1 2099328880 HJTYQDDQKFUFRK-JTQLQIEISA-N 324.182 3.149 10 10 DGCE CN[C@@H](c1ccc(N(C)C)cc1)c1cccnc1Br 2107910661 KNLHGMYSAWUKFL-AWEZNQCLSA-N 320.234 3.219 10 10 DGCE C[C@H]1CSCCCN1c1ccc(CN)cc1C(F)(F)F 2143617348 PELZAILOXUCNEB-JTQLQIEISA-N 304.381 3.496 10 10 DGCE O=S(=O)(Cc1ccc(F)cc1)Nc1ccc(O)cc1Cl 2145851970 RUPGDAKRBWGMJE-UHFFFAOYSA-N 315.753 3.127 10 10 DGCE Nc1ccc(CCNCC(C(F)(F)F)C(F)(F)F)cc1 2183946363 KJTHRGWNHPWPAQ-UHFFFAOYSA-N 300.246 3.142 10 10 DGCE CCOP(=O)(CCN(C)c1ccc(OC)cc1)OCC 2195711380 BOMFZCOYHPBTIY-UHFFFAOYSA-N 301.323 3.398 10 10 DGCE C[C@@H](N)c1ccc(N2CC(OC(F)(F)CF)C2)c(Cl)c1 2237636479 DCKLTMXYPPWTFJ-MRVPVSSYSA-N 308.731 3.127 10 10 DGCE CCc1nn(C)c(CNCc2cccc(Cl)c2O)c1Cl 2240975364 YOHZPKNNSRTMAP-UHFFFAOYSA-N 314.216 3.285 10 10 DGCE Oc1ccc(Br)cc1CN=c1[nH][nH]c2ccccc12 2278879938 RBGIWUJZBWNHEB-UHFFFAOYSA-N 318.174 3.065 10 10 DGCE CCCN[C@@H](C)c1cnc(SC[C@@]2(OC)CCOC2)s1 2285439524 LGAMBTAMVSGMBG-SMDDNHRTSA-N 316.492 3.101 10 10 DGCE Cc1ncc(C=CC(=O)N2CCc3c(F)cc(F)cc32)s1 2297541864 AXQWGUWGUHUNBK-UHFFFAOYSA-N 306.337 3.332 10 10 DGCE CC[C@H](N)CCN(C)Cc1ccc(C)c(Br)c1O 2327594709 OWZASJOFESZJCE-LBPRGKRZSA-N 315.255 3.022 10 10 DGCE C[C@H]1CCCCN1N=Nc1ccc(N2CCN(C)CC2)cc1 2330217331 TYERHHDJEDSVKG-HNNXBMFYSA-N 301.438 3.312 10 10 DGCE CCc1nnsc1CNCc1cc(Cl)cc(Cl)c1O 2335732312 FBLOJGNSYXVCDP-UHFFFAOYSA-N 318.229 3.403 10 10 DGCE CCN[C@@H](C)c1ccc(N(C)CCOC)c(Br)c1 61696645 AMBLBZKZIPXNNW-NSHDSACASA-N 315.255 3.202 10 10 DGCE Cc1cc(C(=O)O[C@H](C)[C@@H]2CCOC2)c(C)n1-c1ccccn1 175253148 PRTUOXLVSPGQMJ-HUUCEWRRSA-N 314.385 3.071 10 10 DGCE CN(Cc1cc2c(cc1O)CCC2)[C@H]1CCCc2c1cnn2C 178612740 UJJUFOYAVVBJGD-KRWDZBQOSA-N 311.429 3.124 10 10 DGCE Cc1ccc(O)c([C@@H](C)N[C@H](C)Cc2c(C)nn(C)c2C)c1 185559040 HXIITBYNPZESHZ-CHWSQXEVSA-N 301.434 3.333 10 10 DGCE COc1ccc(O)c([C@@H](C)NCCOc2ccc(F)cc2F)c1 185647034 FMDOMILBJWJXHE-LLVKDONJSA-N 323.339 3.409 10 10 DGCE CCCCc1nc(CNCc2cc(OC)ccc2O)c(Cl)[nH]1 194447121 OODXVPQPDHPLBF-UHFFFAOYSA-N 323.824 3.410 10 10 DGCE C[C@@](NCCN=[N+]=[N-])(C(=O)O)c1cccc(Cl)c1Cl 235392875 GFNQXHFCLLCMRK-NSHDSACASA-N 303.149 3.193 10 10 DGCE C[C@H](N)c1ccc(N(C)[C@@H]2CCO[C@@H]2C)cc1Br 235501557 UGBIOUMPNMKXPW-IMSIIYSGSA-N 313.239 3.082 10 10 DGCE O=[N+]([O-])c1ccc2scc(O)c2c1I 306902756 IAQBWFKYKAHSLX-UHFFFAOYSA-N 321.095 3.120 10 10 DGCE Cc1ncccc1/C=C/C(=O)N(C[C@H]1CCCO1)c1ccncc1 493822199 MQCJAQTVRAZZGJ-IPLHWJFFSA-N 323.396 3.010 10 10 DGCE CN1C(=O)/C(=C\c2cncc(Br)c2)c2ccccc21 588476770 GBVGWUVYTWLOBM-QPEQYQDCSA-N 315.170 3.361 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1CO[C@@H](C2CC2)C1 691476186 IKTZASICDGLRLA-WCQYABFASA-N 302.201 3.356 10 10 DGCE Oc1cccc(Br)c1CNC1(C(F)(F)F)CC1 706808524 UFXPXBZKDBBRRQ-UHFFFAOYSA-N 310.113 3.339 10 10 DGCE CC1(C)CN(Cc2cc(Cl)cc(Cl)c2O)C[C@H]1C(=O)O 709794287 VWRVXAZUXQKRDQ-JTQLQIEISA-N 318.200 3.242 10 10 DGCE C[C@H](NCc1cc(Br)no1)c1ccc(F)cc1O 718888622 ZGEVHMHPGRJGLX-ZETCQYMHSA-N 315.142 3.133 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1C[C@H]2CC[C@H]1C2 745829481 FNDKEGXQQQHUCW-RVSPLBMKSA-N 314.429 3.259 10 10 DGCE CCOC(=O)c1ccccc1N(C)C(=O)/C=C\c1ccc(C)nc1 754244833 RXEKYYIUJZXNQT-QXMHVHEDSA-N 324.380 3.243 10 10 DGCE COc1c([N+](=O)[O-])ccc(CN2C[C@H](C)C[C@@H](C)[C@@H]2C)c1O 775111666 OAJYHSDIPFSPFN-UTUOFQBUSA-N 308.378 3.175 10 10 DGCE C[C@@H]1CC[C@]2(CCN(C(=O)/C=C\c3ccc(O)c(O)c3)C2)C1 782110743 LJYQTKMLVFLCFC-JGFIGRAGSA-N 301.386 3.150 10 10 DGCE COc1cnccc1[C@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O 783331292 PJKFWSUUGNSRRU-QWRGUYRKSA-N 317.345 3.116 10 10 DGCE Oc1ccc(Cl)c(F)c1CNC[C@H]1COc2ccccc2O1 790947583 SYWBWOJZDKUKRL-JTQLQIEISA-N 323.751 3.114 10 10 DGCE Cc1cc(O)c(CN2C[C@@H](C(F)(F)F)OC[C@@H]2C)cc1C 795694937 UVZWEHBFNRMBSA-FZMZJTMJSA-N 303.324 3.161 10 10 DGCE CCC1(CC)CN(Cc2ccc(N(C)C)c(C)c2)CC[S@]1=O 815094930 PTJQREQDHWOIIO-JOCHJYFZSA-N 322.518 3.184 10 10 DGCE CCNC(=O)C[C@H]1CCCCN1Cc1ccc(N(C)CC)cc1 815113793 LGLMJPLEXKHFQB-GOSISDBHSA-N 317.477 3.023 10 10 DGCE C[C@H](N[C@H]1CNCC[C@H]1C)c1cccc(C(F)(F)F)c1O 817969027 PQMOSSFGIPUGEW-NRUUGDAUSA-N 302.340 3.060 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N2CCC(CCF)CC2)cc1 825225495 FWSOZOMFVBZSLA-UHFFFAOYSA-N 306.341 3.061 10 10 DGCE C[C@]12COC[C@H]1CN(Cc1ccc(N3CCCCC3)cc1)C2 827283665 RCCOIDZHAKYQNJ-MJGOQNOKSA-N 300.446 3.145 10 10 DGCE COc1ccc(O)c([C@@H](C)NCc2cc(OC(C)C)ccn2)c1 844311977 HNJUNSICEPQQIH-CYBMUJFWSA-N 316.401 3.434 10 10 DGCE C[C@H](NCCC1(CO)CCC1)c1cc2c(cc1O)CCCC2 846211662 XYWYTBPOPNQDAH-AWEZNQCLSA-N 303.446 3.474 10 10 DGCE Cc1cc(C)c2c(c1)N(C(=O)c1ccc(C)c(O)c1O)CCO2 846485402 PZTGIXVBNLJCFU-UHFFFAOYSA-N 313.353 3.062 10 10 DGCE CC(C)[C@H](O)[C@H](NCc1ccc2c(c1)CCO2)c1ccccc1 850395843 ZVTYMIKZVGKMPR-UXHICEINSA-N 311.425 3.469 10 10 DGCE C[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@H](CC(F)(F)F)O1 852741116 FPWMMPDSKIOZMH-DOMZBBRYSA-N 316.367 3.294 10 10 DGCE C[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)c1ccncc1 864861484 BMEBKQNTJDODQO-HNNXBMFYSA-N 309.413 3.102 10 10 DGCE C[C@H](NC(=O)NCC[C@@H]1CC1(Cl)Cl)c1ccccc1O 868796979 ZNXDVGALXWXOTN-VHSXEESVSA-N 317.216 3.336 10 10 DGCE C[C@H]1Oc2ccccc2CN(Cc2ccc(N(C)C)cc2)C1=O 888104536 AMVIQMIRPZOQDS-CQSZACIVSA-N 310.397 3.062 10 10 DGCE CC[C@H](NCc1cc(Cl)cc(F)c1O)[C@H]1CCCOC1 895661343 ABKAPFGPFANIIG-HZMBPMFUSA-N 301.789 3.480 10 10 DGCE Cc1ccc(SCC(=O)NCc2c(O)cccc2F)cc1 1156163931 GDIIHMCNDYXUSM-UHFFFAOYSA-N 305.374 3.248 10 10 DGCE CCc1nc(CN2C[C@@H](C(C)C)Cc3cc(OC)ccc32)n[nH]1 1195321851 BDSZHLNUARSLEJ-AWEZNQCLSA-N 314.433 3.211 10 10 DGCE CO[C@@H]1CC[C@H](NCc2ccc(N(C)C)cc2C(F)(F)F)C1 1324976939 UKMVBEDRTVUMKV-GXTWGEPZSA-N 316.367 3.429 10 10 DGCE Cc1cn(CC(=O)N2Cc3cccc(O)c3C2)c2ccccc12 1471355814 WIWKBHMAKHCLLT-UHFFFAOYSA-N 306.365 3.198 10 10 DGCE CCc1cccc(C(=O)NCc2ccc(N(CC)CC)cc2)n1 1527394230 NQBLIXZZYWOJOA-UHFFFAOYSA-N 311.429 3.420 10 10 DGCE O=C(NCc1c(O)cccc1O)C1(c2ccc(Cl)cc2)CC1 1645361047 UVGFWLWSBWJPKH-UHFFFAOYSA-N 317.772 3.099 10 10 DGCE O=C(NCc1c(O)cccc1F)[C@@H]1CCc2cc(F)ccc21 1652298265 HWXQYPQZPYPGPE-CYBMUJFWSA-N 303.308 3.017 10 10 DGCE O=C(N[C@H]1CCCc2c(F)cccc21)c1c(F)ccc(O)c1O 1654618643 HOCIGWHZZJGWQS-ZDUSSCGKSA-N 319.307 3.183 10 10 DGCE COc1ccc(CN[C@H]2C[C@@H](NC(=O)CC(C)(C)C)C2)cc1C 1713186387 RSDSBBHZCIVOMN-IYBDPMFKSA-N 318.461 3.177 10 10 DGCE O=C1/C(=C\c2ccccc2)SC(=S)N1Cc1ccncc1 1858589236 SDSQGVNATXGSFT-GXDHUFHOSA-N 312.419 3.483 10 10 DGCE C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)[C@@H](N)c1ccc(N(C)C)cc1 1895691986 MKVZFXXUWZUCLZ-HNJNHCNJSA-N 319.449 3.056 10 10 DGCE COC[C@](C)(CO)N(C)c1ccc(OCc2ccccc2)cc1 1899870956 RKTWCKYOBQPWBK-IBGZPJMESA-N 315.413 3.099 10 10 DGCE CSC[C@H](C)NCc1ccc(C)c(Br)c1O 1905142190 JKEHXXPNKNOKEX-VIFPVBQESA-N 304.253 3.304 10 10 DGCE [N-]=[N+]=NCCCNC(=O)C=Cc1cccc(Br)c1 1912057588 QMEDHGXDGFIPIY-UHFFFAOYSA-N 309.167 3.279 10 10 DGCE C[C@@H]1C[C@@](O)([C@H](N)c2ccccc2O)c2ccsc2S1 1920354744 JFOHWQWHOSEDJV-PKPZWWHKSA-N 307.440 3.226 10 10 DGCE Cc1cccc([C@H](O)[C@@H](N)c2ccccc2O)c1Br 1927233031 URJAPUZUDMCKDI-GJZGRUSLSA-N 322.202 3.197 10 10 DGCE CN(C)c1ccc([C@@](C)(CCCO)NC(=O)OC(C)(C)C)cc1 1927320562 XFYQQDVETXRSJJ-GOSISDBHSA-N 322.449 3.265 10 10 DGCE C[C@@H]1CCS[C@@H]1CNCc1ccc(Br)cc1O 1945605144 JONAEKYZRLMTHD-NOZJJQNGSA-N 316.264 3.386 10 10 DGCE Oc1ccc(CNCc2cscc2Br)c(O)c1 1948478355 IUEORLPJRQEIJP-UHFFFAOYSA-N 314.204 3.212 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@H]2Nc1ccc(N)cc1 1978675699 FTEZQHLMRFVFFB-NOXHYTERSA-N 317.433 3.373 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2CCN(CCCCN=[N+]=[N-])C[C@@H]2C1 1982246253 RRBCYADQZCPPSW-ZIAGYGMSSA-N 323.441 3.266 10 10 DGCE Oc1cc(Br)ccc1CN[C@H]1C[C@]12CC2(F)F 2004613130 MIWCTSPEPCMYMV-QWRGUYRKSA-N 304.134 3.042 10 10 DGCE Oc1cccc(Br)c1CNC[C@@H]1CCCOCC1 2028643947 BYNMRDODRCUKHZ-LLVKDONJSA-N 314.223 3.061 10 10 DGCE CCC[C@@H](COC)N(C)c1ccc(CO)c(Br)c1 2047303586 DRNKTIKXUDHFKB-ZDUSSCGKSA-N 316.239 3.193 10 10 DGCE CO[C@@H]1CC[C@H](N(C)Cc2ccc(Br)cc2O)C1 2067114469 NIELFYBGDNIJEB-QWHCGFSZSA-N 314.223 3.154 10 10 DGCE CN(C)Cc1cc(C2CCCCC2)n(-c2ccc(O)c(O)c2)n1 2069941684 AMLCHQINXMBNTR-UHFFFAOYSA-N 315.417 3.393 10 10 DGCE CC(C)Cc1cnn(Cc2cccc(Br)c2O)c1N 2070260653 GMQKMUQYXNOYEX-UHFFFAOYSA-N 324.222 3.180 10 10 DGCE COc1ccc([C@@H](C)n2nc(C(C)C)c(CN)c2Cl)c(O)c1 2080001505 JSBZQLUSZDXLGA-SNVBAGLBSA-N 323.824 3.442 10 10 DGCE CCCN[C@]1(CO)C[C@H](Sc2nccs2)CC[C@H]1C 2119121002 PQGDCMHHTHBNDY-BZPMIXESSA-N 300.493 3.155 10 10 DGCE CO[C@@H]1CN(c2ccc([C@H](C)N)cc2Cl)CC(F)(F)C1 2185153265 CWIFHAWRAYPQJG-ONGXEEELSA-N 304.768 3.220 10 10 DGCE C[C@H](O)c1ccc(N(C)C[C@@H](F)[C@H]2CCOC2)c(Cl)c1 2238344598 XZLHEGJQOHZXKL-VHRBIJSZSA-N 301.789 3.204 10 10 DGCE C[C@H](N=c1[nH]c(Cl)nc(Cl)c1F)c1ccccc1O 2265685312 LAHMXTDJERDBBG-LURJTMIESA-N 302.136 3.223 10 10 DGCE Oc1c(Br)cccc1CNC[C@H]1C[C@H]2C=C[C@@H]1C2 2309751872 UPZKFBHGSZZIES-DMDPSCGWSA-N 308.219 3.457 10 10 DGCE CCc1cnccc1CNCc1cccc(Br)c1O 2340224649 LBUYBACFBGUMNW-UHFFFAOYSA-N 321.218 3.402 10 10 DGCE CCc1cncc(CNCc2ccc(Br)cc2O)c1 2353053009 WIVYSRNIWINSMM-UHFFFAOYSA-N 321.218 3.402 10 10 DGCE CCC(CC)CCS(=O)(=O)N1CCC[C@H](CN=[N+]=[N-])C1 2363201364 XRNYECOLPNWKIG-CYBMUJFWSA-N 302.444 3.165 10 10 DGCE CC(C)N1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S 22357281 QRVJFVCPYNTYNV-YRNVUSSQSA-N 308.384 3.204 10 10 DGCE CCOc1ccccc1CN(C)Cc1cc(OC)ccc1O 179680678 OCDNSUVMDLIFNV-UHFFFAOYSA-N 301.386 3.432 10 10 DGCE COC(=O)Cc1nc2cccc(C)n2c1/N=N\c1ccccc1O 71590879 SRIMOKAZTOLXMQ-VXPUYCOJSA-N 324.340 3.479 10 10 DGCE CCN(CC(F)(F)F)c1ccc(CN)cc1Br 212953853 RWBHOHVPLUIDSS-UHFFFAOYSA-N 311.145 3.296 10 10 DGCE CC[C@@H](C)CN(CC)c1cc2c(cc1Cl)[C@@H](NC)C(=O)N2 223326645 BHOAGDRWDCNYSP-MEBBXXQBSA-N 309.841 3.425 10 10 DGCE O=C(O)c1cc(O)ccc1NC(=O)c1c(F)cccc1Cl 48846983 YQBUCWYMTSMDLN-UHFFFAOYSA-N 309.680 3.135 10 10 DGCE CCN(C)c1ccc(CN2CC=C(c3ccnn3C)CC2)cc1 815116403 LRFANTRWGXPNFA-UHFFFAOYSA-N 310.445 3.166 10 10 DGCE C[C@@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)[C@@H]1C(=O)O 818631806 QSDSHUFRZLKUBY-QAPCUYQASA-N 316.445 3.362 10 10 DGCE COc1cc2c(cc1F)CC[C@@H]2NCCc1ccc(N)cc1 817957722 OSAFHOVFCLSMRI-KRWDZBQOSA-N 300.377 3.236 10 10 DGCE CC[C@H](NCc1cnc(C)[nH]1)c1cc(Br)ccc1O 724678582 BCPZYTFDBWTJAE-ZDUSSCGKSA-N 324.222 3.427 10 10 DGCE CC[C@H](CC(F)F)C(=O)N[C@H](C)c1cc(OC)ccc1O 837485955 SIEBGBPIWVHERH-NXEZZACHSA-N 301.333 3.259 10 10 DGCE COc1ccc(O)c(CNC(=O)NCC2(C3CCC3)CCC2)c1 838473826 CHFFNLANHYCVGA-UHFFFAOYSA-N 318.417 3.170 10 10 DGCE C[C@H](C[C@@H](O)c1ccco1)NC/C=C/c1ccc(N(C)C)cc1 835042172 DUDDUZSKJGYHIW-WFEZPHLISA-N 314.429 3.461 10 10 DGCE Cc1cc(O)c(CN2CCC(c3cnc[nH]3)CC2)c(Cl)c1 840915098 JZHHLPFDLUKJBY-UHFFFAOYSA-N 305.809 3.457 10 10 DGCE C[C@@H](CNC/C=C/c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C 848564736 HSDHUHHGJJOLCI-KIUWMYQTSA-N 318.461 3.333 10 10 DGCE CCOc1ccc(O)c(CNCCc2noc3ccccc23)c1 850341699 CDHQAMMOJKOZHC-UHFFFAOYSA-N 312.369 3.264 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC2(COC2)C1 856194015 FMGQDDKNVDSPAS-UHFFFAOYSA-N 316.426 3.018 10 10 DGCE COC[C@@H](N[C@H](C)c1ccc(Cl)cc1O)C1CCOCC1 850493167 GKIHZMSKHAWZAZ-IAQYHMDHSA-N 313.825 3.138 10 10 DGCE C[C@H](N[C@H]1C[C@@H](O)C12CCC2)c1cc2c(cc1O)CCCC2 850547772 WAFZDMJSCDSHDO-UYHISHBKSA-N 301.430 3.225 10 10 DGCE C[C@H](N[C@H]1C[C@H](C)n2ncnc21)c1cc2c(cc1O)CCCC2 850499605 SPWWDTMQZUGBQJ-MKBNYLNASA-N 312.417 3.219 10 10 DGCE Cc1ccc(C(=O)N2C[C@@H]3[C@@H](C[C@H]3c3ccccc3)C2)c(O)c1O 863244109 ZYXOKHBNDXKJLG-BHYGNILZSA-N 323.392 3.282 10 10 DGCE O=C(NCCCSc1nccs1)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]12 865784460 YLXWDPNQOXOLQL-QNWJLWSRSA-N 308.472 3.034 10 10 DGCE Cc1cnc(-c2noc(-c3ccc(-n4cccc4)c(F)c3)n2)nc1 762219063 VJBWWDOCUQHKTC-UHFFFAOYSA-N 321.315 3.432 10 10 DGCE COc1cc(CN2CC[C@H](CC(F)(F)F)C2)c(O)cc1C 766115382 FMBLIXRWLFZPOM-LLVKDONJSA-N 303.324 3.484 10 10 DGCE CC[C@H](NCc1nn(C)cc1C(F)F)c1ccc(F)cc1O 866567148 JUAUYDSQPPRVTJ-LBPRGKRZSA-N 313.323 3.443 10 10 DGCE CCSc1cccc(C(=O)NCc2ccc(O)c(O)c2)c1 778921440 AXCMHXNHCSHGAA-UHFFFAOYSA-N 303.383 3.140 10 10 DGCE C[C@@H](CC(=O)N1Cc2cccc(O)c2C1)N1CCc2ccccc21 871205593 HUOVJPKJSABNLQ-AWEZNQCLSA-N 322.408 3.076 10 10 DGCE COc1cc(C)cc(CN2CCC[C@H]2C2CCOCC2)c1O 776778947 YWPQORAVVHDMJN-INIZCTEOSA-N 305.418 3.100 10 10 DGCE COc1cc(C)cc(CN2Cc3ccccc3OC[C@H]2C)c1O 782286041 BPXGKVOGYFGZFT-CQSZACIVSA-N 313.397 3.492 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)c2cccc(F)c2C)c1 1137473243 CVCQUYHDIGHVPB-NSHDSACASA-N 303.333 3.339 10 10 DGCE CCN(c1ccc([C@H](C)O)cc1Br)C(C)(C)CO 688357192 AHNUEDANEPNVDC-JTQLQIEISA-N 316.239 3.100 10 10 DGCE Cc1ccc(C(=O)N[C@@H](C2CCCC2)C2CCC2)c(O)c1O 1163013891 IGUSRKZTGIMWHD-HNNXBMFYSA-N 303.402 3.495 10 10 DGCE O=C(NCc1c(O)cccc1O)c1occc1-c1ccccc1 1178906034 YAPZJKRYNIARRW-UHFFFAOYSA-N 309.321 3.288 10 10 DGCE COC(=O)c1c(C)sc(C)c1NC(=O)c1cc(O)cs1 1175374697 QYZBZEVZOVFBIC-UHFFFAOYSA-N 311.384 3.171 10 10 DGCE C[C@@H](N[C@@H](CCO)COCc1ccccc1)c1ccccc1O 1902794071 FJQCUWPPCDWOSL-WBVHZDCISA-N 315.413 3.011 10 10 DGCE [N-]=[N+]=NCC1CCN(C(=O)c2ccnc(Br)c2)CC1 1912181764 RTVUQJBZZIICGT-UHFFFAOYSA-N 324.182 3.007 10 10 DGCE Cc1ncccc1/C=C/C(=O)N(CC(F)(F)F)c1ccccn1 1518363017 WRSIHKUVBREMNC-BQYQJAHWSA-N 321.302 3.394 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)CCc1cc(C)[nH]n1 1448442978 ZJONEILRHQZLCX-UHFFFAOYSA-N 315.417 3.185 10 10 DGCE Cc1cc(CN)ccc1N(Cc1ccccc1)[C@@H](CO)C1CC1 1915176251 HWAKUPVHUZRCDV-FQEVSTJZSA-N 310.441 3.231 10 10 DGCE CC(=O)N(C)c1ccc(CNCc2c(O)cccc2Cl)cc1 1474213576 SZPQBSOYVWJJKR-UHFFFAOYSA-N 318.804 3.318 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)NC2(c3ccccc3)CC2)cc1 1542705653 SQCWMIUQAFJNPC-UHFFFAOYSA-N 308.341 3.268 10 10 DGCE N[C@@]1(c2ccccc2O)CCc2ccc(Br)cc21 1920459079 CFQUWFLRZMRODX-OAHLLOKOSA-N 304.187 3.303 10 10 DGCE O=C(c1cccc(O)c1O)N1CC(Cc2ccc(Cl)cc2)C1 1621072865 DYJHTNAHLLNPRH-UHFFFAOYSA-N 317.772 3.066 10 10 DGCE CC[C@@H](CNC(=O)[C@@H](C)C(C)C)NCc1ccc(OC)c(C)c1 1715073266 HWOJJAZMFPACSQ-RDJZCZTQSA-N 320.477 3.280 10 10 DGCE CN(Cc1ccccc1O)C(=O)c1ccnc(-c2ccccc2)n1 1566304758 UMSFZDDWSMYEBS-UHFFFAOYSA-N 319.364 3.121 10 10 DGCE CCCN1CCC[C@H](C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 1633315056 CXUDOHRQHCJUML-RDJZCZTQSA-N 317.477 3.052 10 10 DGCE CC(C)[C@@H](C(=O)NCc1cc(O)ccc1O)c1ccc(F)cc1 1633599284 WGOFSNKHMBBRKR-QGZVFWFLSA-N 317.360 3.293 10 10 DGCE O=C(CCCC(=O)C1CC1)NCc1c(O)ccc2ccccc12 1635968459 AYNUJYWURRTRQH-UHFFFAOYSA-N 311.381 3.311 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)c2onc3ccccc23)c1 1566374606 NZRPUNQSHIFJDV-JTQLQIEISA-N 312.325 3.033 10 10 DGCE COc1cc(F)cc(NC(=O)c2ccc(N=NC(N)=O)cc2)c1 1566383656 VHSRVPSJDXAAFF-UHFFFAOYSA-N 316.292 3.249 10 10 DGCE C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1c(F)cccc1Cl 1566233419 CDJBITNDOYHWIO-SECBINFHSA-N 323.751 3.310 10 10 DGCE CC[C@@H](Oc1ccccc1F)C(=O)NCc1c(O)cccc1F 1652295699 PSBBVLSSSBSAMB-OAHLLOKOSA-N 321.323 3.144 10 10 DGCE C[C@H](CCCNC(=O)OC(C)(C)C)[C@@H](N)c1ccccc1O 1928466771 FUZZOFXSPHJYOQ-IUODEOHRSA-N 308.422 3.333 10 10 DGCE CC(C)(C)OC(=O)NC1CC(CCNc2ccc(N)cc2)C1 1959364250 CXCRMAHDOAQKLQ-UHFFFAOYSA-N 305.422 3.374 10 10 DGCE CCN1CCN(c2ccc(CNC(C)C)cc2Cl)C[C@@H]1C 164075303 LHZFBMRQGRJSOU-AWEZNQCLSA-N 309.885 3.368 10 10 DGCE CCCN(CCN(C)C)c1ccc(/C=C/C(=O)O)cc1Cl 164375721 HNVVHVJIQJSUDK-SOFGYWHQSA-N 310.825 3.216 10 10 DGCE CC[C@@H](C)c1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)on1 152840616 RUSIMOVWIZRJHL-LLVKDONJSA-N 319.380 3.323 10 10 DGCE CC[C@@H](NCCOc1ccc2c(c1)OCO2)c1ccccc1O 155271502 MBUVWDMTRMQLDI-OAHLLOKOSA-N 315.369 3.241 10 10 DGCE Cc1ccc(C)n1-c1ccc(C2=C(O)C(=O)N(C(C)C)C2=O)cc1 1872957067 VOOKTISAQAFHDV-UHFFFAOYSA-N 324.380 3.140 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]([C@H](N)c2ccccc2O)C(C)(C)C1 1936969215 BLBQLPHBTVHQOB-DZGCQCFKSA-N 320.433 3.285 10 10 DGCE Oc1cc(F)ccc1CNCc1sncc1Br 1967712541 FPBDWFVKZNWTHN-UHFFFAOYSA-N 317.183 3.040 10 10 DGCE C[C@H](N)c1cnc(Sc2cncc(Br)c2)s1 1976526069 NUDNVIISYKGMRJ-LURJTMIESA-N 316.249 3.472 10 10 DGCE CC(C)(C)OC(=O)N1C[C@]2(C)CN(CCCN=[N+]=[N-])C[C@]2(C)C1 1982241587 IJZMAWOHOQWPEN-IYBDPMFKSA-N 323.441 3.266 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN1Cc1ncc(Br)s1 1984488687 BHGQBDNLCQNYRM-ZETCQYMHSA-N 302.201 3.180 10 10 DGCE C[C@H](O)c1ccc(N2C[C@H](F)C[C@H]2C)c(Br)c1 1997690817 FFRJQMVYIXNGNM-WCABBAIRSA-N 302.187 3.439 10 10 DGCE COc1cc(Cl)cc(CNC2CC(C(F)(F)F)C2)c1O 2153234087 IQANTQKWAMKKSA-UHFFFAOYSA-N 309.715 3.485 10 10 DGCE CC[C@]1(CNCc2c(O)cccc2Br)CCCO1 2030252906 BDYKEABZUJPZMA-CQSZACIVSA-N 314.223 3.204 10 10 DGCE C[C@]1(F)CCCN(Cc2cccc(Br)c2O)C1 824472326 QBZCJKPSHYVITM-ZDUSSCGKSA-N 302.187 3.479 10 10 DGCE CCN[C@]1(C(=O)O)C[C@H](CC)C[C@@H](Sc2nccs2)C1 2175485678 AGVXHAKMKSSHPQ-JTNHKYCSSA-N 314.476 3.247 10 10 DGCE COC(=O)c1cc(C2CC2)nn1[C@H](C)c1cc(C)ccc1O 2069961543 PXYGAAZRELZSSR-LLVKDONJSA-N 300.358 3.170 10 10 DGCE CCCN(c1c(F)cc(CNC)cc1F)[C@H]1CCSC1 2170139846 NXQITEJTVBTJFY-LBPRGKRZSA-N 300.418 3.406 10 10 DGCE CCCN(c1cc(Cl)c(CN)cc1F)[C@H]1CCCOC1 2197191123 OQVNRUISBYTGDN-LBPRGKRZSA-N 300.805 3.333 10 10 DGCE NCc1cc(F)c(N2CCC[C@@H]2c2nncs2)cc1Cl 2204710687 VPNHZOSCDZBICX-LLVKDONJSA-N 312.801 3.131 10 10 DGCE COc1ccc(Br)c(CN[C@@H]2CCC[C@H]2C)c1O 2220462146 HJDHQQHLGXLSGT-BXKDBHETSA-N 314.223 3.442 10 10 DGCE CCn1cnc(Cl)c1CNCc1cnc(SC)s1 2257099180 ZMVIUAPHLMDCCQ-UHFFFAOYSA-N 302.856 3.025 10 10 DGCE COc1c(C(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])csc1Cl 2268924860 ZAWJSANSHRZLGC-JGVFFNPUSA-N 300.771 3.371 10 10 DGCE CCc1ccc(C=C2C(=O)NN(c3ccc(CC)cc3)C2=O)cc1 2297578141 IWZLWWWDGCUXQU-UHFFFAOYSA-N 320.392 3.273 10 10 DGCE C[C@@H](NS(=O)(=O)c1ccccc1Cl)c1ccccc1O 1256347419 WBHYNJLZDSUCCV-SNVBAGLBSA-N 311.790 3.085 10 10 DGCE Cc1ccc(O)c(N=Nc2c(CC(=O)O)nc3ccccn23)c1 2320767950 RTGCRXKSOJLTLN-UHFFFAOYSA-N 310.313 3.391 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@@H]3C[C@H]2[C@@H]2C[C@@H]32)cc1Br 2308715673 AGOHZSALKXPWCT-RNOGGXLWSA-N 308.219 3.347 10 10 DGCE CC(C)[C@H](O)C(C)(C)NCc1c(O)cccc1Br 2318141920 LPCAOVWXDQVVEO-ZDUSSCGKSA-N 316.239 3.040 10 10 DGCE CC(C)n1ncc(Br)c1CN(C)CCCN=[N+]=[N-] 2319583699 NIYRIGQRJLNUOU-UHFFFAOYSA-N 315.219 3.359 10 10 DGCE Cc1conc1CNCc1ccc(C)c(Br)c1O 2327798639 KFLSUESFSNDDJH-UHFFFAOYSA-N 311.179 3.049 10 10 DGCE CCN(CC)c1ccc(CNC(=O)c2ccc(C)nc2C)cc1 55446530 VCXBXNWMLLQNGQ-UHFFFAOYSA-N 311.429 3.475 10 10 DGCE NCc1cc(F)c(N2C[C@H]3CCC[C@@H]3C2)cc1Br 310711020 CJKXJVTZPPGVIZ-NXEZZACHSA-N 313.214 3.283 10 10 DGCE CCN(CC)c1ccc(CN2CCCN(C3CC3)CC2)cc1 179733246 GKYJIWDLERHSJQ-UHFFFAOYSA-N 301.478 3.203 10 10 DGCE NCc1cc(F)c(N2CC3CCC2CC3)cc1Br 311126392 PTZRJZSKEKEMBG-UHFFFAOYSA-N 313.214 3.426 10 10 DGCE COc1cccc(CNc2ccnn2Cc2ccc(C)o2)c1O 120055301 BBBNRGZBQNLCQA-UHFFFAOYSA-N 313.357 3.159 10 10 DGCE CSC1CC(NCc2cc(OC(F)(F)F)ccc2O)C1 2361043397 JHRGLYAETFXMMZ-UHFFFAOYSA-N 307.337 3.274 10 10 DGCE CC(=O)c1cc(F)cc(CN2Cc3cccc(C#N)c3C2)c1O 405075358 HCNIZWIIMWQVIH-UHFFFAOYSA-N 310.328 3.121 10 10 DGCE CCC(C)(CC)NC(=O)NCc1ccc(N2CC=CC2)cc1 121240586 DSYZWDIFFKISLU-UHFFFAOYSA-N 301.434 3.441 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)NCCC1=CCCC1 126050869 YENYIGVYAOVHBA-UHFFFAOYSA-N 301.434 3.361 10 10 DGCE CC(C)(C)OC(=O)N[C@@H](c1ccccc1O)C(C)(C)C(=O)O 1951952750 CFOYGNAEXRRMOO-LBPRGKRZSA-N 309.362 3.069 10 10 DGCE C[C@@H](OCc1cccc(Cl)c1)C(=O)Nc1ccc(N)cc1 87091677 XVKZIEPEGHSRPW-LLVKDONJSA-N 304.777 3.466 10 10 DGCE CCN[C@H](C)c1ccc(N2C[C@H]3[C@H](O)CC[C@H]3C2)c(Cl)c1 228046957 FJYKIZKJMFPZQF-ABYLEIOUSA-N 308.853 3.218 10 10 DGCE Nc1[nH]ncc1-c1nc(-c2ccc(Br)o2)cs1 228800973 WZHDBUNHZNQGGX-UHFFFAOYSA-N 311.164 3.138 10 10 DGCE COc1ccc(CN[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)cc1C 381846246 YXRYYOGVQYTYME-KBPBESRZSA-N 322.449 3.395 10 10 DGCE C[C@H](N[C@@H]1CCNC12CCC2)c1cccc(C(F)(F)F)c1O 530214782 CTNPSOOFVSPQJI-GXFFZTMASA-N 314.351 3.346 10 10 DGCE CCCN(CCC)c1ccc(CN[C@H](C)c2ncn(C)n2)cc1 275812897 LPQHFUKNWNXLBV-OAHLLOKOSA-N 315.465 3.292 10 10 DGCE CCCc1ccc(S(=O)(=O)Nc2ccc(O)c(OC)c2)cc1 280662866 XPUSAJZCONXROI-UHFFFAOYSA-N 321.398 3.154 10 10 DGCE CN(C(=O)/C=C/c1ccc(Cl)nc1)c1cccc([N+](=O)[O-])c1 90130642 VJKBQQUIAUQDAV-SOFGYWHQSA-N 317.732 3.319 10 10 DGCE O=C(N(Cc1ccccc1O)C[C@@H]1CCCO1)C1(CCF)CC1 290900145 VOXGBVWKNMRNQU-HNNXBMFYSA-N 321.392 3.040 10 10 DGCE Cn1nccc1C1=CCN(Cc2cc(Cl)c(F)cc2O)CC1 294846750 ZNDWNYJYIICILT-UHFFFAOYSA-N 321.783 3.208 10 10 DGCE C[C@@H]1O[C@H](C)CN(Cc2ccc(Br)cc2O)[C@@H]1C 825634623 PAXHMMUAVVHZFN-MXWKQRLJSA-N 314.223 3.152 10 10 DGCE CN(C)c1ccc(/C=C/CN2CC[C@@H](N3CCCCC3)C2)cc1 835027276 JSHNKVUUHKXCIM-ROUKRRSUSA-N 313.489 3.326 10 10 DGCE COCC1(CNCc2ccc(N(C)C)cc2C(F)(F)F)CC1 848564129 CDBXGWCLVGEVOY-UHFFFAOYSA-N 316.367 3.288 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@H](C2CCOCC2)C2CC2)c1 846043289 WRTWBSPVSGCKPS-SGTLLEGYSA-N 305.418 3.257 10 10 DGCE COc1cc(C)cc(CN2CCOC[C@H]2CC2CCC2)c1O 840093912 KOBZPAIBSHGUDW-MRXNPFEDSA-N 305.418 3.100 10 10 DGCE CC[C@@H](NCCc1cc(C)n(C)n1)c1cc(Cl)ccc1O 926912188 UNELXVKSZINLMU-OAHLLOKOSA-N 307.825 3.371 10 10 DGCE Cc1nc(C(=O)NCc2ccc(N(C)C)cc2C)c(C)s1 751975112 WOZCKHGZVVHYSG-UHFFFAOYSA-N 303.431 3.064 10 10 DGCE Cc1cc(O)c(CN2CCO[C@@H](CC(F)(F)F)C2)cc1C 853611440 NGOUQUKRJAHJKS-ZDUSSCGKSA-N 303.324 3.162 10 10 DGCE Cc1ccc(O)c([C@H](C)NCc2cnc(C(F)(F)F)nc2)c1 850485303 DIHMSUITJIRFKN-JTQLQIEISA-N 311.307 3.360 10 10 DGCE Nc1ccc(C[C@H](O)Cc2ccc(F)c(Br)c2)cc1 696528039 KXSHWPQSVPLBPA-ZDUSSCGKSA-N 324.193 3.317 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2C(=O)[C@]12CCCC[C@@H]1C2 866203660 PRIIGGPLSIRGBL-ACJLOTCBSA-N 300.402 3.058 10 10 DGCE Oc1c(Br)cccc1Cn1cnc2c1CCCC2 862431886 UZPHMQKGIKXABF-UHFFFAOYSA-N 307.191 3.278 10 10 DGCE C[C@@H](O)c1ccc(N2CC=C(c3ccc(Cl)nc3)CC2)nc1 865658225 YTLSTBYURGFBFR-GFCCVEGCSA-N 315.804 3.477 10 10 DGCE Cc1ccc(OCc2cc(F)ccc2Br)c(N)n1 50440899 ZYABXERTJVNSJN-UHFFFAOYSA-N 311.154 3.453 10 10 DGCE Cc1cc(Cl)cc([C@@H](C)NCCC[C@H]2CCOC2=O)c1O 872111278 CAXZNUJAUDJVSI-NEPJUHHUSA-N 311.809 3.348 10 10 DGCE COC(=O)/C=C\c1ccc(N2CC3(CCCC3)C2)c([N+](=O)[O-])c1 777802470 AGBLDSIDVVIWSO-ALCCZGGFSA-N 316.357 3.161 10 10 DGCE Cc1cc(Br)cc([N+](=O)[O-])c1OCCN=[N+]=[N-] 94297017 NOGZTTDHVAGGPI-UHFFFAOYSA-N 301.100 3.355 10 10 DGCE C[C@@H](NCCCOCc1ccccc1)c1ccc(O)cc1O 390081907 CMOJZBQZGZSCRH-CQSZACIVSA-N 301.386 3.355 10 10 DGCE COc1ccc(O)c(CN[C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)c1 798493823 TXWPSLWCGZUWSP-SQWLQELKSA-N 305.418 3.086 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2cc(-c3ccccc3)nn2C)c1 1301046517 DODDYEYDVKDMQL-UHFFFAOYSA-N 321.380 3.031 10 10 DGCE CCN[C@]1(CO)C[C@@H](CC)C[C@@H](Sc2nccs2)C1 2118791891 WNRYEBAOJDFLHC-OUCADQQQSA-N 300.493 3.155 10 10 DGCE Cc1cccc(CN(C)C(=O)c2c(F)ccc(O)c2O)c1C 1183572037 QISMZUDBNZWWPY-UHFFFAOYSA-N 303.333 3.126 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cscn1 1264287430 XMSADJZLPUORLH-UHFFFAOYSA-N 301.415 3.016 10 10 DGCE C[C@H]1CN(c2ccc(C=CC(=O)O)cc2Br)[C@@H]1C 1911979428 ITIWKJDGVFUCFR-VHSXEESVSA-N 310.191 3.392 10 10 DGCE Cc1nc(Cl)nc(Cl)c1CCN1CC[C@@H](N=[N+]=[N-])C1 1912196858 NEABSRCSLNAKTH-MRVPVSSYSA-N 301.181 3.019 10 10 DGCE CN(C)c1ccc(CNC(=O)[C@H]2Cc3ccc(Cl)cc32)cc1 1352215022 IGDOMEVTLBJZEJ-KRWDZBQOSA-N 314.816 3.362 10 10 DGCE Cc1ccc2nc(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)cn2c1 1517374880 SLZZQCCSQSUDOX-CQSZACIVSA-N 322.412 3.200 10 10 DGCE C/C=C(\C)C(=O)N[C@H](C)CCCNCc1ccc(OC)c(C)c1 1700652450 HINIWKDTDUAHMH-QHDPKREISA-N 318.461 3.344 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1c(C)oc(C)c1C 1623573432 ATUBLCBGLQHTBS-UHFFFAOYSA-N 308.374 3.326 10 10 DGCE CC1(C)CC(NC(=O)Cc2ccc(O)c(O)c2)CC(C)(C)C1 1624076773 VMURAWDIERSKSI-UHFFFAOYSA-N 305.418 3.361 10 10 DGCE Cc1c[nH]c(-c2ccc(NC(=O)c3cccc(O)c3O)cc2)n1 1631480384 GZLXWUFAFWHIMQ-UHFFFAOYSA-N 309.325 3.049 10 10 DGCE C/C=C(/C=C\C(=O)N1CCOc2cc(N(C)C)ccc21)CC 1566008620 WWWDFJYTJRTHFB-SOQHDQFTSA-N 300.402 3.391 10 10 DGCE CCN(C)c1ccc(CN2CCCCCCNC(=O)CC2)cc1 1655283855 DOMRFKDVFZRGOB-UHFFFAOYSA-N 317.477 3.025 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](Nc3ccccc3N)[C@@H]21 1959364787 GGYYUHGJNHJDLW-BYCMXARLSA-N 303.406 3.079 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)c1cnccc1Cl 169217919 UTDBXQYRZMGYDM-UHFFFAOYSA-N 303.793 3.073 10 10 DGCE C[C@@H](NC(=O)Cc1ccc(N)cc1)c1ncc(-c2ccccc2)o1 160475152 KXOXBZKJAOKFDC-CYBMUJFWSA-N 321.380 3.344 10 10 DGCE CN(Cc1ccc(Cl)s1)c1ccc([N+](=O)[O-])c(CO)c1 234316871 KICDBYYZTUTZMT-UHFFFAOYSA-N 312.778 3.438 10 10 DGCE COCCNCc1ccc(N(C)[C@@H](C)CSC)cc1Cl 234651565 JTGHZASRGGYXJY-LBPRGKRZSA-N 316.898 3.264 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CCCN2CCN=[N+]=[N-])C1 1962305240 RLKAZRROQSRVKO-OLZOCXBDSA-N 309.414 3.018 10 10 DGCE CC(C)(C)OC(=O)N1CCN(CCN=[N+]=[N-])[C@@H]2CCCC[C@H]21 1962304319 MMBMQACWDLXTHV-CHWSQXEVSA-N 309.414 3.161 10 10 DGCE CN(C[C@@H](O)c1ccc(N2CCCC2)cc1)C(=O)OC(C)(C)C 1977932938 AJUQOWKYLNTFNC-MRXNPFEDSA-N 320.433 3.187 10 10 DGCE CN(CC1CCN(c2ccc(N)cc2)CC1)C(=O)OC(C)(C)C 1977969362 ZWEGHSZQYXLKND-UHFFFAOYSA-N 319.449 3.352 10 10 DGCE CC[C@](N)(c1ccc(N(C)C)cc1)[C@@H](C)NC(=O)OC(C)(C)C 1977944237 CJDXXICBMCHQPE-FZKQIMNGSA-N 321.465 3.230 10 10 DGCE CN(C)c1ccc([C@H](N)c2ccn(Cc3ccccc3)n2)cc1 1992808496 LLVRXSRYWQVZDN-IBGZPJMESA-N 306.413 3.046 10 10 DGCE Nc1ccc(CC[C@@H](O)c2cc(C(F)(F)F)ns2)cc1 2155015408 SBKQUXQLEVGHLS-SNVBAGLBSA-N 302.321 3.410 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)c2csc(Br)c2)C1 403703764 KZEVFKSEMSWTAQ-QMMMGPOBSA-N 315.196 3.426 10 10 DGCE CCS[C@@H]1CCN(c2ccc(CN)c(C(F)(F)F)c2)C1 382992930 YYYRPEDEENRMRY-GFCCVEGCSA-N 304.381 3.496 10 10 DGCE C[C@H](N[C@H]1CCCCC12OCCO2)c1ccc(N(C)C)cc1 715672302 GAKOWCUNNUSJRJ-YOEHRIQHSA-N 304.434 3.089 10 10 DGCE C[C@@H]1CCSCCN1c1ccc(CN)cc1Br 385340437 HFPILVSFHPETGE-SNVBAGLBSA-N 315.280 3.240 10 10 DGCE CNCc1ccc(N(CC(F)F)C2CC2)c(Br)c1 386888623 FBCOTXVYDGCQMT-UHFFFAOYSA-N 319.193 3.402 10 10 DGCE CN(C)Cc1cc(C2CCC2)nn1Cc1cccc(F)c1O 2070161976 UEQVMWQRRWOPGH-UHFFFAOYSA-N 303.381 3.105 10 10 DGCE C[C@@H](NCc1ccc(Br)cc1O)c1cncs1 897930140 JKQBTAZZLIIQIC-MRVPVSSYSA-N 313.220 3.462 10 10 DGCE CCc1nn(Cc2cc(C)ccc2O)c(C(F)(F)F)c1CO 2078931686 VPJALDBWAVKCNE-UHFFFAOYSA-N 314.307 3.019 10 10 DGCE CCc1nn([C@H](c2ccc(C)cc2O)C2(C)CC2)c(N)c1N 2079137521 NTANLXVGTRROLB-OAHLLOKOSA-N 300.406 3.013 10 10 DGCE C[C@H]1CO[C@H](CN(C)Cc2cc(Br)ccc2O)C1 2047506297 MEWPFWIJXDMLSM-MFKMUULPSA-N 314.223 3.012 10 10 DGCE Cc1onc(COCCc2ccc(N)cc2)c1Br 2056189762 PWVIWVMILXLFAW-UHFFFAOYSA-N 311.179 3.087 10 10 DGCE COc1ccc(N(C)C[C@H](O)COCc2ccccc2)cc1C 2210943859 WGGNMJLIGJIHHU-SFHVURJKSA-N 315.413 3.018 10 10 DGCE CN(CCOC(F)F)c1ccc(CNC2CC2)cc1Cl 2202948092 KZGSSZRMMUTWQY-UHFFFAOYSA-N 304.768 3.267 10 10 DGCE CN(C[C@@H](O)COCc1ccccc1)c1ccc(OCF)cc1 2246154382 VHHRSZHQFOYVNQ-QGZVFWFLSA-N 319.376 3.006 10 10 DGCE Cc1cc(O)c([C@H](C)N(C)C[C@@H]2OCC[C@@H]2F)cc1Cl 2286438698 JEGBOMGRXUZDRE-XEGUGMAKSA-N 301.789 3.474 10 10 DGCE COC1C(C)(C)C(NCc2cnc(SC)s2)C1(C)C 2269272824 RLAVICSXGVOJLP-UHFFFAOYSA-N 300.493 3.404 10 10 DGCE O=C(C=Cc1cnc2ccccc2n1)N1CCc2c(F)cccc21 2309004865 JXZKGGWFRQWHMM-UHFFFAOYSA-N 319.339 3.371 10 10 DGCE Cc1ccc(CNCCc2ccco2)c(O)c1Br 2327622427 XYGJLIFVQSHZBI-UHFFFAOYSA-N 310.191 3.388 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCN[C@@H]2CCC[C@H]21 2341942384 MIEMKBBUJFTJMC-CHWSQXEVSA-N 301.217 3.025 10 10 DGCE CSc1ncc(CNCc2cnc(C(F)(F)F)o2)s1 2342251778 ATVDTBQVHINVCR-UHFFFAOYSA-N 309.338 3.162 10 10 DGCE COc1ccc(CN2CCC(OCCC(C)C)CC2)c(O)c1 179333448 JNTVBMUWXAHKAE-UHFFFAOYSA-N 307.434 3.428 10 10 DGCE O=C1/C(=C\c2ccccc2)SC(=S)N1Cc1cccnc1 33436501 HTAUTYCWBNMDEY-NTEUORMPSA-N 312.419 3.483 10 10 DGCE COc1ccc(C2=C/C(=C3/OC(=O)c4ccccc43)C(=O)O2)cc1 34138196 UDXBPCPOTZWZGJ-ICFOKQHNSA-N 320.300 3.175 10 10 DGCE Cc1cccc(/N=N\c2c(CC(=O)O)nc3c(O)cccn23)c1 71602107 HWNWRDRJPWMAIF-HNENSFHCSA-N 310.313 3.391 10 10 DGCE CC(=O)Nc1ccc(/C=C/C(=O)N(C)Cc2ccccc2O)cc1 136946368 WHYLGEPTNRZJLP-FMIVXFBMSA-N 324.380 3.022 10 10 DGCE N[C@H](CC(F)(F)F)c1ccc(F)c(Br)c1O 95716877 MYMNZXODNLHNLS-ZCFIWIBFSA-N 302.065 3.246 10 10 DGCE [N-]=[N+]=NCCCN[C@@H](C(=O)O)c1ccc(Cl)c(Cl)c1 90259000 WZWNFMCMFYEKEZ-SNVBAGLBSA-N 303.149 3.409 10 10 DGCE COc1ccc(N2CCC[C@H](O)[C@H]2C(F)(F)F)cc1Cl 2370181428 UCIBPNRUNRJLSJ-JQWIXIFHSA-N 309.715 3.241 10 10 DGCE C[C@H](NCCCCN(C)C)c1cc(Br)ccc1O 273555439 GURBNJHNYRYZBD-NSHDSACASA-N 315.255 3.147 10 10 DGCE C[C@@H]1SCCS[C@@H]1[C@@H](O)c1ccc2c(c1)CCCN2C 2163107334 OBMZVEHFQCVSGO-UVBJJODRSA-N 309.500 3.340 10 10 DGCE O=C(O)/C=C/c1ccc(N2C[C@H]3CSC[C@H]3C2)cc1Cl 711574657 YDNCKDJXZHDWMG-IOHUUBCKSA-N 309.818 3.237 10 10 DGCE CCNCc1ccc(N2CCS[C@H](C(F)(F)F)C2)cc1 721393303 ZXYNAAOYVKKONL-ZDUSSCGKSA-N 304.381 3.280 10 10 DGCE c1cc(N2CCCCC2)ccc1CN[C@@H]1CO[C@@H](C2CC2)C1 825167646 OEKNSFYMDOZOLX-PKOBYXMFSA-N 300.446 3.334 10 10 DGCE Cc1cc(Cl)cc(CN2CC[C@@H]([C@H](O)C(F)(F)F)C2)c1O 825124151 IVXCEYURVVDXKL-RNCFNFMXSA-N 323.742 3.099 10 10 DGCE Cc1nccn1CCCN(C)C/C=C/c1ccc(N(C)C)cc1 835052496 DPFWROYBOGXRIB-FNORWQNLSA-N 312.461 3.293 10 10 DGCE CN(C)c1ccc(/C=C\CNCCN2Cc3ccccc3C2)cc1 835037791 XISYBKAZTFGFFC-WAYWQWQTSA-N 321.468 3.371 10 10 DGCE COc1cc(CNc2nnc(OC)s2)c(O)c(C(C)(C)C)c1 849344828 FOVCCPIBUAKJOG-UHFFFAOYSA-N 323.418 3.171 10 10 DGCE CCN(CC)C[C@H]1CCN(Cc2cc3c(cc2O)CCC3)C1 743387620 LLIOISBWRRHVOJ-OAHLLOKOSA-N 302.462 3.045 10 10 DGCE Cc1cc(O)c(CN2CCC[C@@H]([C@@H]3CCNC3)C2)c(Cl)c1 843125079 MZGDMNLHJRNFMB-ZIAGYGMSSA-N 308.853 3.176 10 10 DGCE Cc1cc(O)c(CN[C@H](CCO)Cc2ccccc2)c(Cl)c1 840942387 FTDMGESRERMGQQ-OAHLLOKOSA-N 319.832 3.437 10 10 DGCE CN(C)c1cc(F)c(CNC2C[C@@H]3CCC[C@H](C2)N3C)cc1F 858146665 KQUTZLJNGRBIBW-GOOCMWNKSA-N 323.431 3.136 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CCC[C@H]3C[C@@H]32)c1 852562405 AUNMVXXLTPWPKZ-QCQGSNGOSA-N 318.417 3.197 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)NCC1CSC1 923830870 SEMJSYLAOPXDQP-UHFFFAOYSA-N 308.447 3.067 10 10 DGCE CCC[C@@H](C)CC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855229224 ITIVAIHTRBYVGO-CABCVRRESA-N 304.434 3.216 10 10 DGCE Cc1ccc(C)c(NS(=O)(=O)c2cc(F)cc(F)c2O)c1 753014683 CLCRCLVGOCWNHX-UHFFFAOYSA-N 313.325 3.088 10 10 DGCE C[C@H](NC(=O)NCC[C@@]1(C)C[C@]1(F)Cl)c1ccccc1O 868742849 DSSMXMDXTMCUMU-NZVBXONLSA-N 314.788 3.457 10 10 DGCE COC(=O)/C=C/c1ccc(N2CCC[C@@](C)(F)C2)c([N+](=O)[O-])c1 1117757338 SPKNSVLSPPXQCT-BIENSFFJSA-N 322.336 3.109 10 10 DGCE O=C1CCCCc2cc(C(=O)N3Cc4cccc(O)c4C3)ccc21 871205000 ODFGNFZKMWMXMN-UHFFFAOYSA-N 321.376 3.457 10 10 DGCE CC(=O)C1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)CC1 872798803 RXEZSIVLECSRIM-UHFFFAOYSA-N 305.418 3.196 10 10 DGCE Oc1cc2c(cc1CN1CCC[C@H]1C1CCOCC1)CCC2 776772622 QBXWFJMIKNNQEE-SFHVURJKSA-N 301.430 3.272 10 10 DGCE CCc1cccc(CN2CCC(CC)(N3CCC3)CC2)c1O 895822151 LGSZHTAGRUDRGX-UHFFFAOYSA-N 302.462 3.405 10 10 DGCE c1cc2c(cc1CN[C@@H]1CCC[C@@H]([C@@H]3CCOC3)C1)CCO2 798494814 SXVKHDBKGBFYKI-KBAYOESNSA-N 301.430 3.306 10 10 DGCE Cc1cc(Br)c(O)c(CN[C@H]2CSC[C@H]2C)c1 796480964 BOKJBRDRMRXJNF-SKDRFNHKSA-N 316.264 3.304 10 10 DGCE Cc1cnc(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)cn1 1132264642 YWUWNWSUADMJJT-UHFFFAOYSA-N 320.396 3.123 10 10 DGCE CN(C(=O)c1ccsc1Br)c1ccc(N)cc1 698594836 NWMDHQVUPGLRBL-UHFFFAOYSA-N 311.204 3.369 10 10 DGCE COc1ccc(N(C)CCN(C)C[C@@H](OC)C2CCCC2)cc1 1307896395 APTYXMASYGCEIP-LJQANCHMSA-N 320.477 3.268 10 10 DGCE CCCCc1cc(N[C@H](C)Cc2ccc(O)c(O)c2)ncn1 1307091939 LBNFHPPTUWQELJ-GFCCVEGCSA-N 301.390 3.274 10 10 DGCE O=C(c1cc2cc(O)c(O)cc2s1)N1CC2(CCCC2)C1 1331648778 KOTVPKRDKVNMEG-UHFFFAOYSA-N 303.383 3.329 10 10 DGCE CN(CCN=[N+]=[N-])Cc1cccc([N+](=O)[O-])c1Br 1912180819 GVALTQWZAFCWFH-UHFFFAOYSA-N 314.143 3.099 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)c2ccc(Br)cc2)C1 1912177508 FUEPEJGXTFALAD-VIFPVBQESA-N 309.167 3.222 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]21 1456874399 AKYJXFSZTOKOAG-CWRNSKLLSA-N 314.429 3.304 10 10 DGCE CN(C)c1ccc(CN=c2cc[nH]cc2C(F)(F)F)cc1F 1472673902 JTRHBPROXPRPPE-UHFFFAOYSA-N 313.298 3.340 10 10 DGCE Cc1cc(C)cc(-n2c(C)cc(C(=O)N3CC=C[C@H]3CO)c2C)c1 1471527103 NWGKZNNYJYMVLK-KRWDZBQOSA-N 324.424 3.084 10 10 DGCE CC/C(C)=C/C(=O)N(C)[C@H](C)CNCc1ccc(OC)c(C)c1 1715336299 SAXWYZRIYYVAMO-HFQYIWAZSA-N 318.461 3.296 10 10 DGCE O=C(N1Cc2cccc(O)c2C1)C(F)(F)c1ccccc1F 1636230731 GXBZQCHJXHYWAZ-UHFFFAOYSA-N 307.271 3.166 10 10 DGCE C[C@H](NCc1ccc(N(C)C)cc1)c1cn(-c2ccccc2)nn1 154106956 RAHBAQBCUJBQRL-HNNXBMFYSA-N 321.428 3.184 10 10 DGCE O=C(O)c1ccc(O)c(N=c2[nH]c3c(F)cc(F)cc3s2)c1 1859857677 DSOWIZDSCFJQTF-UHFFFAOYSA-N 322.292 3.144 10 10 DGCE CCN[C@@H](c1ccccc1O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1936970839 PMOVARUPSGZNNR-CZUORRHYSA-N 320.433 3.300 10 10 DGCE COc1cc(N(C)Cc2nc(C)sc2C)cc(OC)c1OC 1253498687 FGMNQAWETQRWQX-UHFFFAOYSA-N 322.430 3.422 10 10 DGCE C[C@H](NCc1cc(Br)cc(F)c1O)[C@H]1C[C@H]1C 1942720497 NKRBOIZKRPXGIN-FYBVGQRMSA-N 302.187 3.428 10 10 DGCE CCN(CCCN=[N+]=[N-])C[C@H]1CCCN1C(=O)OC(C)(C)C 1962302574 AJCHOCWLPONLMV-CYBMUJFWSA-N 311.430 3.408 10 10 DGCE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1CCCCN=[N+]=[N-] 1962304100 LENLWQUWZQGINE-BETUJISGSA-N 311.430 3.407 10 10 DGCE Cc1ccc(CN[C@H]2C[C@@H](CNC(=O)OC(C)(C)C)C2)c(O)c1 1967735125 XWHYDJLKAGOYIG-OTVXOJSOSA-N 320.433 3.094 10 10 DGCE CC(C)(C)OC(=O)N1[C@H](CNc2ccc(N)cc2)COC1(C)C 1977662184 FRBYMNDUZDIRER-CQSZACIVSA-N 321.421 3.053 10 10 DGCE Cc1ccc(O)c(CN[C@H](C)CCN(C)C(=O)OC(C)(C)C)c1 1980090276 NNPVXDJBSVGLJP-CQSZACIVSA-N 322.449 3.436 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)NCCCOCc1ccccc1 1981602361 DVEFPFLBSLXGEY-OAHLLOKOSA-N 317.393 3.078 10 10 DGCE CN(Cc1c(O)cccc1Br)CP(C)(C)=O 1992339824 UJQCNHXLFIKJCE-UHFFFAOYSA-N 306.140 3.167 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](Oc3ccc(N)cc3)C[C@H]1C2 1992463309 KUYPIMLQVVWSBV-XNRPHZJLSA-N 318.417 3.436 10 10 DGCE Cc1ccc(CN[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1 1994457509 CGRDNPJVJHWIIX-HUUCEWRRSA-N 320.433 3.236 10 10 DGCE CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)NCc1cccc(C)c1O 1994450145 PSCPMAWFACWVMK-UKRRQHHQSA-N 322.449 3.482 10 10 DGCE COCCNCc1ccc(N(C)CC(F)(F)F)c(Cl)c1 163967180 KAPUBUBFHLHELY-UHFFFAOYSA-N 310.747 3.075 10 10 DGCE C[C@@H](N)c1ccc(N2CC(C)(CF)C2)cc1Br 2008692758 YDKPULLLHXNEBW-SECBINFHSA-N 301.203 3.265 10 10 DGCE Oc1ccc(Br)cc1CNc1cnn(C2CC2)c1 2035761700 PISXIOYEGBDFKU-UHFFFAOYSA-N 308.179 3.298 10 10 DGCE CCCOC1CN(c2ccc([C@@H](C)N)cc2Br)C1 2040865409 VGZFKZWUKBRBDF-SNVBAGLBSA-N 313.239 3.084 10 10 DGCE CNCc1cc(F)c(N(C)[C@H]2CCC[C@@H]2SC)c(F)c1 707685854 PQCDWNIANZOBDM-KBPBESRZSA-N 300.418 3.405 10 10 DGCE CN1CCc2cc(CNCc3coc(Br)c3)ccc21 378967295 CJLZFXGQFUBNTB-UHFFFAOYSA-N 321.218 3.324 10 10 DGCE COC[C@@H]1CCCCN(c2cc(Cl)c(CN)cc2F)C1 2177380276 CUJVTCQECWUFCG-LLVKDONJSA-N 300.805 3.191 10 10 DGCE Cc1cc(O)c([C@@H](C2CC2)n2nc(C(F)F)c(N)c2N)cc1C 2079847877 ZTPXBPQNJAFQEB-CQSZACIVSA-N 322.359 3.307 10 10 DGCE Oc1cccc(Br)c1CN1CCCC[C@@H](F)C1 1140098934 ULAQBXNOSRMSKR-SNVBAGLBSA-N 302.187 3.479 10 10 DGCE CCc1ncncc1NCc1cc(Br)ccc1O 1171177538 AEBFVXFHBQJZOB-UHFFFAOYSA-N 308.179 3.119 10 10 DGCE CC[C@@H](COC)N(C)c1ccc([C@@H](C)N)cc1Br 2047310746 ZONZIFSUTUBJRD-PWSUYJOCSA-N 315.255 3.330 10 10 DGCE CN(CCCN=[N+]=[N-])C[C@H](O)c1ccccc1Br 2050509489 AAPKVALPTKOAPC-LBPRGKRZSA-N 313.199 3.115 10 10 DGCE Cc1cnc(NCCc2ccc(O)c(O)c2)c(Br)c1 2091754310 UQSKFSBQVOIYMG-UHFFFAOYSA-N 323.190 3.218 10 10 DGCE C[C@](O)(c1ccc(Br)cc1)[C@@H](N)c1ccccc1O 2091867476 MKZDBLAHMLEIAC-GJZGRUSLSA-N 322.202 3.062 10 10 DGCE CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1ccccn1 2297450898 FYWLRHKDJZURCP-UHFFFAOYSA-N 312.760 3.454 10 10 DGCE COc1ccc(N2CCN(CC(Cl)=CCl)CC2)cc1F 2300151380 HHBVVSZVZPQJEA-UHFFFAOYSA-N 319.207 3.275 10 10 DGCE CCN[C@H](CC1(C)OCCO1)c1ccc(N(CC)CC)cc1 2353343465 VFNRWVBVJWDWCZ-QGZVFWFLSA-N 306.450 3.337 10 10 DGCE Nc1ccc(OCCOc2ccccc2Br)cc1 32209318 YZONEFJSNVRJJW-UHFFFAOYSA-N 308.175 3.489 10 10 DGCE C[C@@H](N[C@@H](Cc1ccccc1)CN(C)C)c1cc(F)ccc1O 185091893 PXQJSGZRIIMUSS-PBHICJAKSA-N 316.420 3.355 10 10 DGCE C[C@@H](N[C@H](C)c1nnc2n1CCCC2)c1cc(Cl)ccc1O 185585207 ILQHPGRIMHSUNH-GHMZBOCLSA-N 320.824 3.385 10 10 DGCE CCCN1CCC(CN[C@H](C)c2ccc(F)c(F)c2O)CC1 187700068 YYBINPBNZRHWED-GFCCVEGCSA-N 312.404 3.443 10 10 DGCE Cc1cc(NS(=O)(=O)/C=C/c2ccc(F)cc2)ccc1O 182478842 XCFXJULWHSDJRD-CMDGGOBGSA-N 307.346 3.252 10 10 DGCE COc1cc(Cl)cc(CN2CC[C@](F)(C(F)F)C2)c1O 2362835474 USCOWILGRAOUFI-CYBMUJFWSA-N 309.715 3.233 10 10 DGCE CC[C@@H](COC)NC(=O)c1cc(C)n(-c2ccccc2)c1C 133421289 DBSYMKJLJOGTDQ-HNNXBMFYSA-N 300.402 3.249 10 10 DGCE Cc1cc(N2CCC[C@H](N)C2)ccc1OCCC(F)(F)F 83880683 FMIOQMVXXGITAL-LBPRGKRZSA-N 302.340 3.254 10 10 DGCE O=C(NCc1ccc(-c2cccnc2)cc1)c1cccc(O)c1O 365108718 LSGQTIHYGLXJEQ-UHFFFAOYSA-N 320.348 3.090 10 10 DGCE O[C@@H](CCNCc1ccc(N2CCCCC2)cc1)C(F)(F)F 809743400 QXACWVQPTFGJMK-HNNXBMFYSA-N 316.367 3.080 10 10 DGCE CNCc1ccc(N2CCS[C@@H](C(F)(F)F)C2)c(F)c1 721388666 JLOCHNAUCRKHSS-GFCCVEGCSA-N 308.344 3.029 10 10 DGCE C[C@H](NCCCNCc1cccnc1)c1cc(Cl)ccc1O 817941311 RZPURIDVKJTJFP-ZDUSSCGKSA-N 319.836 3.271 10 10 DGCE O=C(NCc1cccc(Br)c1O)[C@@H]1CCC[C@@H]2C[C@@H]21 834475814 DZGUQJMTOMLCQP-JLLWLGSASA-N 324.218 3.207 10 10 DGCE CCOc1ccc(N(CC)Cc2nsc(N(C)C)n2)cc1 747682622 PBTNYEBRFCSSHW-UHFFFAOYSA-N 306.435 3.029 10 10 DGCE CCN1C[C@@H](CN(C)c2ccc(-c3nccs3)cc2)OC1=O 846996397 RLIYGQNTWHPONI-CQSZACIVSA-N 317.414 3.087 10 10 DGCE O=C(/C=C/C1CCCCCC1)NCCc1ccc(O)c(O)c1 845834444 VYDMBQXNAKNFBX-CSKARUKUSA-N 303.402 3.283 10 10 DGCE C[C@H](CCOc1ccccc1)C(=O)NCc1c(O)cccc1F 928704855 FWCOVSCJUKALEX-CYBMUJFWSA-N 317.360 3.253 10 10 DGCE C[C@H](NC(=O)NCc1c(O)cccc1F)C1CCC(F)CC1 923321350 LNHARKFYDDWITH-UNXYVOJBSA-N 312.360 3.247 10 10 DGCE CC[C@H](N[C@H]1CC=C(C(=O)OC)C1)c1ccc(N(C)C)cc1 858474233 XCPDBSDDFOPJCN-RDJZCZTQSA-N 302.418 3.055 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](F)C[C@H]1c1cc(N)ccc1O 1953054335 XAVDRDYGVXJJEP-GWCFXTLKSA-N 310.369 3.385 10 10 DGCE C[C@H](COc1ccccc1)C(=O)NCc1cc(Cl)ccc1O 857547701 QFUCLEIYOFIEFW-GFCCVEGCSA-N 319.788 3.377 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)C(C)(C)[C@@H]1CCCCO1 864634578 RBJBPQUDAUBDRM-KRWDZBQOSA-N 318.461 3.306 10 10 DGCE CSc1cc(NC(=O)N(C)Cc2ccccc2O)ccn1 767954500 QHMFLUPJDRPJSD-UHFFFAOYSA-N 303.387 3.173 10 10 DGCE Nc1ccccc1N[C@H]1CCN(C(=O)OCc2ccccc2)C1 1954644494 SIRLUPVHBSYGQX-HNNXBMFYSA-N 311.385 3.092 10 10 DGCE CCCN(CCC)CCCC(=O)N1Cc2cccc(O)c2C1 871200872 LDWZSYSVQRIVIO-UHFFFAOYSA-N 304.434 3.137 10 10 DGCE O=C(N[C@@H]1CCc2cc(Cl)ccc21)c1cccc(O)c1O 776339003 OHVFIMBQJQWTLO-CYBMUJFWSA-N 303.745 3.169 10 10 DGCE COc1cc(O)c(CN[C@H]2CCCC(F)(F)C2)cc1OC 776249224 SRKOYYYHUXPJNV-NSHDSACASA-N 301.333 3.077 10 10 DGCE CC1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC(F)(F)C1 899199452 JDEGOGOYLXGJGT-UHFFFAOYSA-N 310.304 3.014 10 10 DGCE Clc1ccccc1NCc1ccc(N2CCNCC2)cc1 84847230 PFZHFNPBUQTTNP-UHFFFAOYSA-N 301.821 3.362 10 10 DGCE C[C@@H](CNCc1cccc(O)c1O)COCc1ccccc1 389935759 MCDXZSCFJYJFQG-AWEZNQCLSA-N 301.386 3.040 10 10 DGCE COC(=O)c1cc(CN[C@H](C)c2ccccc2O)[nH]c1C(C)C 895459428 BYNZNTZVOJFDRO-GFCCVEGCSA-N 316.401 3.481 10 10 DGCE NCc1cc(F)c(N2CCC3(CC2)CC3)cc1Br 706361764 GGIZQSNKUNOKLM-UHFFFAOYSA-N 313.214 3.427 10 10 DGCE C[C@H]1OCC[C@@H]1NCc1cc(Cl)cc(Br)c1O 708055348 CWPAVQIJGUPQIB-HQJQHLMTSA-N 320.614 3.075 10 10 DGCE Cc1c(CN[C@H]2CCCC3(C2)OCCO3)n(C)c2ccccc12 715675278 UYUBAQJLSHMJGV-HNNXBMFYSA-N 314.429 3.262 10 10 DGCE O=C(CCC(=O)c1ccccc1)NCc1cccc(Cl)c1O 1159033709 MJSDPSDBUTYNJE-UHFFFAOYSA-N 317.772 3.325 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)CCOCc2ccccc2)CC1 1958668394 MGTVGGJLOCOHLH-OAHLLOKOSA-N 302.378 3.285 10 10 DGCE CCC(C)(C)[C@@H](O)C(=O)NCc1cc(Cl)cc(Cl)c1O 1160599164 GBOGAWBTUONXPU-LBPRGKRZSA-N 320.216 3.112 10 10 DGCE CN(C)c1ccc(CN2CCn3nc(C(C)(C)C)cc3C2)cc1 1176735639 ZNZGZOQLBFEBSC-UHFFFAOYSA-N 312.461 3.262 10 10 DGCE C[C@H](CC(=O)NCc1cccc(O)c1O)c1cccc(F)c1 1176564505 BJEOAYLLNPJTNX-LLVKDONJSA-N 303.333 3.047 10 10 DGCE CN1CCCc2cc(CNC(=O)N3CCC[C@H]3C(F)F)ccc21 1350881969 QXAJIWQETAKGCB-HNNXBMFYSA-N 323.387 3.008 10 10 DGCE COC1CC(N(C)c2ccc([C@@H](C)O)c(Br)c2)C1 1914789780 JZTXAAGUWAUAMX-OIKLOGQESA-N 314.223 3.116 10 10 DGCE CC[C@H]1c2ccccc2CCN1C(=O)Cc1ccc(O)c(O)c1 1617579295 PMTWRWFODUNWDD-INIZCTEOSA-N 311.381 3.176 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H]1c1ccc(F)cc1 1629152987 OEPTZKASRMIQEZ-OAHLLOKOSA-N 315.344 3.143 10 10 DGCE C[C@@H]1CC[C@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)C1 1556468175 BHZFRGLZSDJEBI-ZJUUUORDSA-N 305.399 3.479 10 10 DGCE C[C@H](NC(=O)c1ccc2c(c1)OC(F)(F)O2)c1ccccc1O 1632250343 RIVSCBYUESYUOD-VIFPVBQESA-N 321.279 3.205 10 10 DGCE COC(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1O 1648890021 WKISGKYSNIZKSC-LLVKDONJSA-N 314.341 3.062 10 10 DGCE CN[C@@H](c1ccccc1O)c1nccc(C)c1Br 1926805407 BBGODTWGOKAEQD-ZDUSSCGKSA-N 307.191 3.167 10 10 DGCE C[C@@H](NC(=O)c1cc2ncccc2o1)c1ccc(N(C)C)cc1 1585422837 DJZYLJZYFNEFHD-GFCCVEGCSA-N 309.369 3.385 10 10 DGCE Nc1ccc(CS(=O)(=O)Nc2cc(F)cc(Cl)c2)cc1 229985963 DJYOATYNTGFFSY-UHFFFAOYSA-N 314.769 3.003 10 10 DGCE CCOC(=O)[C@H]1CCCN(/N=N/c2ccc(C(C)=O)cc2)C1 1860480971 NJLVRKPZDIFUDA-YWMAMYRUSA-N 303.362 3.163 10 10 DGCE Oc1ccc(Br)cc1CN[C@@H]1C(F)(F)C12CC2 1876225097 FEVDAFRZAJFCEJ-JTQLQIEISA-N 304.134 3.042 10 10 DGCE C[C@H]1[C@H](NC(=O)OC(C)(C)C)CC(C)(C)CN1CCN=[N+]=[N-] 1962303683 IRPXRDFAISVFON-NWDGAFQWSA-N 311.430 3.310 10 10 DGCE CC(C)(C)OC(=O)Nc1ccccc1C(=O)NCCCN=[N+]=[N-] 1963700352 XBUNGARLNNHDEF-UHFFFAOYSA-N 319.365 3.464 10 10 DGCE Nc1ccc(N[C@H]2CN(Cc3ccccc3)[C@@]3(CCOC3)C2)cc1 1948886635 KVRNTIGPPKCJIK-UXHICEINSA-N 323.440 3.114 10 10 DGCE CCN(Cc1ccc(N)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1977921172 RKZIHWOQRYOMOX-MRXNPFEDSA-N 319.449 3.100 10 10 DGCE C[C@H]1C[C@H](N(C)c2ccc(CO)cc2Br)CS1 2015478197 DHDNIFAUHOKCBJ-ONGXEEELSA-N 316.264 3.272 10 10 DGCE CNCc1ccc(N(C)CP(C)(C)=O)cc1Br 2021440547 ITYXSMIWIXHMGT-UHFFFAOYSA-N 319.183 3.185 10 10 DGCE CCc1cc2c(=O)n3c(nc2s1)C(=Cc1cccnc1)CC3 2040453937 AZAXHEOFNPRRAM-UHFFFAOYSA-N 309.394 3.360 10 10 DGCE CSC[C@H]1CCCN1c1ccc(CN)cc1Br 400394345 OLYLEVMQNVQUID-LLVKDONJSA-N 315.280 3.240 10 10 DGCE CS[C@@H]1CCCN(c2ccc(CN)c(Br)c2)C1 383027011 JMZPQNNWLABJTH-GFCCVEGCSA-N 315.280 3.240 10 10 DGCE C[C@@H](O)c1ccc(N(C)Cc2c(Cl)cnn2C)c(Cl)c1 2168145862 SXIRNTDRXJLDQU-SECBINFHSA-N 314.216 3.417 10 10 DGCE CC=C1CN(c2ccc(CNC3CC3)cc2Br)C1 2058791638 VKAJQPCVZOMZNO-UHFFFAOYSA-N 307.235 3.467 10 10 DGCE CO[C@@H](C)CCN(C)c1ccc([C@@H](C)O)cc1Br 2059358922 JBHFPZLSFMKZTM-WDEREUQCSA-N 316.239 3.364 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@]1(C)CCNCc1ccccc1O 2210446937 FISHYZMIDAIDAC-GOSISDBHSA-N 320.433 3.271 10 10 DGCE CSc1ncc(CNCc2ccc(C(C)(C)O)cc2)s1 2208527609 KLYJINXDOTUJBV-UHFFFAOYSA-N 308.472 3.382 10 10 DGCE Cc1c(CNC2CSCCSC2)n(C)c2ccccc12 2237047163 OYRHZJJRYHFLGQ-UHFFFAOYSA-N 306.500 3.425 10 10 DGCE c1nc(Sc2ncc3n2CCC3)sc1CNC1CCC1 2240303645 LODRVPMJTZMCMR-UHFFFAOYSA-N 306.460 3.079 10 10 DGCE Cc1cc(Cl)nc(Cl)c1C(=O)NCc1ccc(N)cc1 2295267057 HUMZMECQOVIWBG-UHFFFAOYSA-N 310.184 3.209 10 10 DGCE CCCCCCOCC(=O)N[C@H](C)c1cc(OC)ccc1O 107767646 RQEUKHWPAJCWQA-CYBMUJFWSA-N 309.406 3.175 10 10 DGCE CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1c(C)n[nH]c1C 59858430 TVMKGDQFQXCTQA-SXGWCWSVSA-N 323.400 3.362 10 10 DGCE CN[C@@H](C)c1ccc(N2CCSCC2)c(Br)c1 61694580 PNULJYKAAIQPBB-JTQLQIEISA-N 315.280 3.283 10 10 DGCE CN(C)Cc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 71702528 YIPMLMMYKYNFSF-UHFFFAOYSA-N 309.457 3.070 10 10 DGCE COc1cccc([C@H](CN)N(Cc2ccccc2)C(C)C)c1O 32071068 PSPFMNYYVPMGDQ-KRWDZBQOSA-N 314.429 3.311 10 10 DGCE CN[C@H](C)c1ccc(N2CC[C@@H](N3CCCC3)C2)cc1Cl 227328945 WWNZRHMRHALRID-UKRRQHHQSA-N 307.869 3.295 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CC[C@@H]2CCO[C@H]2C1 1203573477 BPIJKYPRBDCWQD-RNCFNFMXSA-N 302.201 3.310 10 10 DGCE Cc1cc(Cl)cc(CNCc2nccc(C(F)F)n2)c1O 289222731 AECVTXDDGWEJNS-UHFFFAOYSA-N 313.735 3.371 10 10 DGCE COCc1nc(CNCc2cc(Cl)c(F)cc2O)cs1 293975443 QXJSVSLCQOQKCR-UHFFFAOYSA-N 316.785 3.077 10 10 DGCE CN[C@H](c1ccccc1O)[C@@H](O)c1ncc(Cl)cc1Cl 2163375287 CNHCOMIWZMVBTQ-TZMCWYRMSA-N 313.184 3.088 10 10 DGCE Cc1cc(CN2CC[C@H](C(C)(C)C)[C@H](O)C2)ccc1N(C)C 815083901 IIGPWNXWMAFHNR-FUHWJXTLSA-N 304.478 3.290 10 10 DGCE Cc1cnc(CCCC(=O)N(C)Cc2ccc(N(C)C)cc2)o1 823709163 MFHYAXGSVQVYHD-UHFFFAOYSA-N 315.417 3.030 10 10 DGCE Cc1cc(Cl)cc(CNCC2(CC(N)=O)CCCCC2)c1O 827752145 ZIFQDWSVVUGESP-UHFFFAOYSA-N 324.852 3.270 10 10 DGCE Cc1cc(CNC/C=C\c2ccc(N(C)C)cc2)oc1C(=O)O 901943208 WPQPBNXJKHIJPO-PLNGDYQASA-N 314.385 3.155 10 10 DGCE CCC(C)(C)[C@H](NC/C=C\c1ccc(N(C)C)cc1)C(=O)O 904021200 QPFCTMGLVYUCDI-XITLMJRVSA-N 304.434 3.245 10 10 DGCE CN(C)c1ccc(/C=C/CNC[C@@H]2CSCCS2)cc1 835041744 DQSVCWATWVEADU-QDLOVBKTSA-N 308.516 3.204 10 10 DGCE C[C@H](NC/C=C\c1ccc(N(C)C)cc1)[C@H](O)Cc1ccccc1 835040765 GWDVLUPFXYYQRS-SGPKIUGVSA-N 324.468 3.348 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1 835040096 OAVBVNXYSSCFAL-YSEKLJNJSA-N 300.446 3.169 10 10 DGCE Cc1nc(CC(C)C)oc1C(=O)NCc1cc(Cl)ccc1O 846474038 RAGFYCQBOHCNPW-UHFFFAOYSA-N 322.792 3.471 10 10 DGCE C[C@@H](CC1CCC1)NCc1ccc(N2CCC(O)CC2)cc1 850566646 QIFXNOWDDCTXCE-HNNXBMFYSA-N 302.462 3.316 10 10 DGCE c1cc(N2CCOCC2)ccc1CNC[C@@H]1CCC[C@@H]2C[C@@H]12 850378324 YNHMZXXDYLEJRM-ZIFCJYIRSA-N 300.446 3.049 10 10 DGCE C[C@H](NC(=O)N[C@H]1CCCc2occc21)c1ccccc1O 868033824 OEIQGUPJIGODFK-FZMZJTMJSA-N 300.358 3.423 10 10 DGCE COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1cc(Cl)cc(C)c1O 786578121 HUNXIVUBPUAPET-GLQYFDAESA-N 323.820 3.128 10 10 DGCE O=C(CCCc1c(F)cccc1F)NCc1cc(O)ccc1O 1153886082 VORKUOYQURHKPJ-UHFFFAOYSA-N 321.323 3.015 10 10 DGCE COC[C@@H](CNCc1ccc(Br)cc1O)C(C)C 1665740981 DKUJIXTXQPAVLL-GFCCVEGCSA-N 316.239 3.163 10 10 DGCE C[C@@H]1Cc2cc(NC(=O)c3ccc(N=NC(N)=O)cc3)ccc2O1 1179509611 GMOJIRQBFCJAKB-SNVBAGLBSA-N 324.340 3.425 10 10 DGCE c1ccc2c(c1)CCO[C@H]2CNCc1ccc2c(c1)CCCO2 1177816329 KXGIRSQNKLJEDM-FQEVSTJZSA-N 309.409 3.415 10 10 DGCE CCCCNc1ccccc1C(=O)NCc1c(O)cccc1O 1178910921 IZSSOFHEIGJMDZ-UHFFFAOYSA-N 314.385 3.240 10 10 DGCE c1cc(N2CCCC2)ccc1CN1CCC[C@H]2COCC[C@@H]21 1324777096 VDCBTEMXUHLCDW-HKUYNNGSSA-N 300.446 3.288 10 10 DGCE C/C(=C/c1ccccn1)C(=O)NCc1ccc(N(C)C)c(F)c1 1264827101 OFUKEAVJDLBZSZ-RAXLEYEMSA-N 313.376 3.006 10 10 DGCE CCN(CC)c1ccc(CNC(=O)c2cc(C)c(C)cn2)cc1 1354540306 BDPDEKNFMXDIER-UHFFFAOYSA-N 311.429 3.475 10 10 DGCE [N-]=[N+]=NCCCC[S@](=O)c1cncc(Br)c1 1912159110 CVULVYYPIBSHEY-INIZCTEOSA-N 303.185 3.042 10 10 DGCE C/C(=C\C(=O)NCc1ccc(N(C)C)c(F)c1)c1ccco1 1434914121 FEVWYCFBLUTDJP-FMIVXFBMSA-N 302.349 3.204 10 10 DGCE CC[C@H](O)CN(Cc1ccccc1)c1ccc([C@@H](C)N)c(O)c1 1915388403 HIRKYYOWFQBDBP-PBHICJAKSA-N 314.429 3.189 10 10 DGCE CC(C)OCc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 1464420137 SISMNUWFHUNION-UHFFFAOYSA-N 315.369 3.204 10 10 DGCE Cc1cc(C)cc(-n2c(C)cc(C(=O)N3CC=C[C@@H]3CO)c2C)c1 1471527110 NWGKZNNYJYMVLK-QGZVFWFLSA-N 324.424 3.084 10 10 DGCE CCN(CC)c1ccc(CNc2cc(C)nc(OC)n2)cc1 1639302067 KOPFTBFCXIIGIE-UHFFFAOYSA-N 300.406 3.252 10 10 DGCE CCN(C)c1ccc(CN2C[C@@H](C)O[C@](C)(C(F)F)C2)cc1 1560014161 LWDUNWXOOGIJSN-DYVFJYSZSA-N 312.404 3.387 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]1CC[C@@H](N)c1ccccc1O 1960442253 DLHVQDKYXNEZDG-GXTWGEPZSA-N 306.406 3.182 10 10 DGCE Oc1c(F)cc(Br)cc1CN[C@H]1CC[C@@H]2C[C@H]12 1941000780 LSJPCRIYDRTLEO-VHRDEZTHSA-N 300.171 3.182 10 10 DGCE CN(C)c1ccc(CNCCC(=O)OCCC(C)(C)C)cc1 1857869111 PWHCIFSHCNJWNK-UHFFFAOYSA-N 306.450 3.212 10 10 DGCE CN(Cc1ccc(Br)cc1O)CC1CC(F)C1 1944066629 MTNHQRYAKYKIDY-UHFFFAOYSA-N 302.187 3.335 10 10 DGCE C[C@@H](N)c1cnc(SCCCNC(=O)OC(C)(C)C)s1 1883313095 AUTLMHVMAHJNPI-SECBINFHSA-N 317.480 3.170 10 10 DGCE Cc1ccc(CNCc2csc(C(F)(F)F)n2)c(O)c1 1973054703 SRFARQPDKGRCNF-UHFFFAOYSA-N 302.321 3.466 10 10 DGCE CNCc1cc(F)c(N(C)C[C@H]2CC[C@H](C)S2)c(F)c1 2151682301 HYMUCCCUTAYJOJ-CMPLNLGQSA-N 300.418 3.405 10 10 DGCE CN1CCc2cc([C@@H](N)c3occc3Br)ccc21 2037094439 KJUSBDWPVPEQGQ-CYBMUJFWSA-N 307.191 3.083 10 10 DGCE C[C@@H](N)c1ccc(N2CCC(F)(F)C2)c(Br)c1 313354479 MZTGSYZRWYTOFO-MRVPVSSYSA-N 305.166 3.314 10 10 DGCE C[C@H](N[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c1ccc(O)cc1O 381666844 BGUKIIQIZUDNFV-UTUOFQBUSA-N 324.421 3.050 10 10 DGCE CS[C@H]1CCN(c2c(F)cc(CNC(C)C)cc2F)C1 382932108 GCKFMDHPFJUAQD-LBPRGKRZSA-N 300.418 3.405 10 10 DGCE COc1cc(Cl)cc(CNCC[C@H]2CCCS2)c1O 715599824 GCETZWNJGLIHOI-GFCCVEGCSA-N 301.839 3.430 10 10 DGCE Cc1ccc([C@@H](C)n2nc(C(C)C)cc2C(=O)N(C)C)c(O)c1 2070083712 IAVTZQDRVWOHJI-CYBMUJFWSA-N 315.417 3.332 10 10 DGCE Cc1ccc([C@H](C)n2nc(C(C)C)cc2C(=O)N(C)C)c(O)c1 2070083713 IAVTZQDRVWOHJI-ZDUSSCGKSA-N 315.417 3.332 10 10 DGCE C[C@H](NC(=O)c1ccc(Br)o1)c1ccccc1O 1302532440 CFGGRYBBHFCCJK-QMMMGPOBSA-N 310.147 3.239 10 10 DGCE CCc1nn(Cc2c(C)cccc2O)c(C(F)(F)F)c1O 2078877727 XZBUDDXWIFMHDS-UHFFFAOYSA-N 300.280 3.232 10 10 DGCE COc1ccc(O)c(Cn2nc(C3CC3)c(C3CCC3)c2N)c1 2079790719 PIUSRHCAIIRVCL-UHFFFAOYSA-N 313.401 3.373 10 10 DGCE CCc1c(C2CC2)nn(-c2ccc(O)c(O)c2)c1Br 2079806604 OBGJXTHBZHMHMG-UHFFFAOYSA-N 323.190 3.486 10 10 DGCE COc1cc(Cl)cc(CN[C@@H]2CC23CC(F)(F)C3)c1O 2189420188 KYBBRYGXSMKQJE-LLVKDONJSA-N 303.736 3.332 10 10 DGCE CN(c1c(F)cc(CO)cc1F)C1CCP(C)(=O)CC1 2193526605 NUPDCJZKEIEBCA-UHFFFAOYSA-N 303.289 3.049 10 10 DGCE Oc1cccc(Cl)c1CNCC(F)(F)C1CCOCC1 2185381395 XHVQLRRHWIPOKW-UHFFFAOYSA-N 305.752 3.197 10 10 DGCE Nc1ccc(C[C@@H](O)c2ccc(Br)c(F)c2)cc1 2077433436 KJARCYQJBPWTCH-CQSZACIVSA-N 310.166 3.447 10 10 DGCE CC(=O)c1ccc(O)c(CN2CCC(C)=C(Br)C2)c1 2095909671 GUDQZOOUHXXREO-UHFFFAOYSA-N 324.218 3.469 10 10 DGCE CCCNCc1cnc(SC2(CO)CCCCC2)s1 2099111157 MXDZLCVAVOCYLU-UHFFFAOYSA-N 300.493 3.430 10 10 DGCE Cc1cccc(CNCc2nc(C(F)(F)F)cs2)c1O 2296189444 ZYDDRNVMTGGUMW-UHFFFAOYSA-N 302.321 3.466 10 10 DGCE OC[C@]12CC[C@H](C[C@@H]1NCc1cc(Cl)cc(Cl)c1O)C2 2354520645 XUBBTNHDARDLAX-ZDBHGNHJSA-N 316.228 3.340 10 10 DGCE COc1cccc(CN2CCC[C@H]2c2noc(C(C)C)n2)c1O 127843408 UMKTVXBOBXDSOX-ZDUSSCGKSA-N 317.389 3.244 10 10 DGCE COc1ccc(O)c([C@@H](C)NCc2nc(C3CCCC3)no2)c1 182472071 KXOMDNIBVGWVFX-LLVKDONJSA-N 317.389 3.292 10 10 DGCE Nc1ccc(N2C(=O)c3cc(F)c(F)cc3C2=O)c(Cl)c1 88570266 AWTSVGFBUFGGSK-UHFFFAOYSA-N 308.671 3.001 10 10 DGCE C[C@@H](c1cc(Br)ccc1O)N1C[C@@H](C)OC[C@H]1C 132189203 MYKBRTHSMXXQGR-MXWKQRLJSA-N 314.223 3.325 10 10 DGCE CC[C@H](NCc1cccc(Br)c1O)c1ncc[nH]1 138700820 NCMAAJKPEHQLTA-NSHDSACASA-N 310.195 3.119 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1C[C@H]2COC[C@@H](C2)C1 1203574197 PCZLAQJAPXFIPQ-UWVGGRQHSA-N 302.201 3.167 10 10 DGCE CCCN(Cc1ccc(-n2cncn2)cc1)Cc1ccccc1O 92705046 CGSZARLFWGAPQC-UHFFFAOYSA-N 322.412 3.385 10 10 DGCE N[C@H](c1ccc(I)cc1O)C1CCCC1 95770506 DXKQYQVHOKWXQB-LBPRGKRZSA-N 317.170 3.187 10 10 DGCE Cc1cc(Cl)cc(CNC[C@@H]2CCN2C2CCCC2)c1O 529669043 KYWAUGFCVLGMLJ-INIZCTEOSA-N 308.853 3.461 10 10 DGCE CCN(C)c1ccc([C@H](C)NC[C@H]2CCN(C3CC3)C2)cc1 247071050 OIAZLITVAMVKEV-JKSUJKDBSA-N 301.478 3.278 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@]1(C)C[C@H]2CC[C@H]1O2 276770438 GWPDDOZMPCCKAP-ZHALLVOQSA-N 316.445 3.059 10 10 DGCE CC[C@H](NC[C@@H](CO)c1cccnc1)c1cc(Cl)ccc1O 806178048 BOJVCXYMZDXXFO-BBRMVZONSA-N 320.820 3.257 10 10 DGCE CC(C)(C)OC(=O)N[C@@H](CN=[N+]=[N-])Cc1ccc([N+](=O)[O-])cc1 1951351060 RJCQOOYTAKPDLE-LLVKDONJSA-N 321.337 3.341 10 10 DGCE COC(=O)c1ccc(CNCc2cc(Cl)cc(C)c2O)cc1 809732787 KAEBAKGTDPIJLP-UHFFFAOYSA-N 319.788 3.430 10 10 DGCE Cc1ncccc1/C=C/C(=O)N(C[C@@H]1CCCO1)c1ccncc1 493822191 MQCJAQTVRAZZGJ-DKFQHHCZSA-N 323.396 3.010 10 10 DGCE Oc1cccc2c1[C@H](NCCc1ccnn1-c1ccccc1)CC2 903168050 CZDAAFZBYIDNCP-GOSISDBHSA-N 319.408 3.398 10 10 DGCE Oc1cc2c(cc1CN1CCC[C@]3(CC=CCC3)C1)OCO2 733991977 KGODXJWXKDDSBA-GOSISDBHSA-N 301.386 3.443 10 10 DGCE C[C@H]1C[C@@H](NCC2(CF)CCOCC2)c2c(O)ccc(F)c21 834885726 NDRKCFFUESOEKK-WCQYABFASA-N 311.372 3.436 10 10 DGCE CN(Cc1ccccc1O)C(=O)CCCCC(=O)OC(C)(C)C 847570066 LLZYLQFRXHNABP-UHFFFAOYSA-N 321.417 3.253 10 10 DGCE CCc1cc(CN2CC[C@@H](C(=O)OC)C2)c(O)c(C(C)(C)C)c1 919941868 XPHWRKBBTNFRAC-CQSZACIVSA-N 319.445 3.247 10 10 DGCE COc1ccc2c(c1)CCCCN2Cc1cnc(Cl)n1C 848913490 YJAXBNCHHCDHER-UHFFFAOYSA-N 305.809 3.425 10 10 DGCE CN(C(=O)/C=C\c1cnc2ccccc2n1)c1ccc(F)cc1 917778510 XEVMHKZXOBIWRE-FLIBITNWSA-N 307.328 3.445 10 10 DGCE CC[C@H](C)C[C@H]1NC(=O)N([C@H](C)c2ccc(N(C)C)cc2)C1=O 843307171 CXCCZFSLBWGVBS-WOSRLPQWSA-N 317.433 3.170 10 10 DGCE Cc1cc(O)c(CN[C@@H](c2ccccc2F)[C@@H](C)O)cc1C 846015717 CXAJMBQRODCRNW-FZKQIMNGSA-N 303.377 3.360 10 10 DGCE C[C@H](NC(=O)NC[C@@]1(C)CCCCO1)c1ccc(N(C)C)cc1 922056245 WYUAJCOPZPMRLP-KBXCAEBGSA-N 319.449 3.072 10 10 DGCE C[C@@H](N[C@H](c1cccnc1)C1CC1)c1cc([N+](=O)[O-])ccc1O 756786052 WYSPXGBOCUJRHD-DIFFPNOSSA-N 313.357 3.497 10 10 DGCE CCC[C@H](C)[C@@H](CO)NCc1c(O)cccc1Br 858184612 NJFDZCIVKOMGNK-GXFFZTMASA-N 316.239 3.041 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)C3=CCCCCC3)C2)cc1 855228046 UKNGIKJTXHFANQ-MRXNPFEDSA-N 314.429 3.281 10 10 DGCE c1cc(N2CCCCC2)ccc1CN[C@]12C[C@H]1COC21CCC1 923037540 PEGBRZNOZGXWTP-FXAWDEMLSA-N 312.457 3.478 10 10 DGCE CCN(CC)c1ccc(CN[C@H](C)c2nn(CC)nc2C)cc1 924710466 LHNJUXGBYGSWEV-CQSZACIVSA-N 315.465 3.303 10 10 DGCE Cc1ccc(O)c([C@H]2C[C@H](N)CCN2C(=O)OC(C)(C)C)c1 1952150513 ZDZKWPWXQRGYSM-TZMCWYRMSA-N 306.406 3.100 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H](Nc3ccc(N)cc3)C[C@@H]21 1897789006 NRFBYXWHYCBWCP-VCOSZWKGSA-N 317.433 3.373 10 10 DGCE CC[C@@H](NC[C@H]1CC2(CCOCC2)CO1)c1ccc(F)cc1O 866530996 DAGZRMPQADCXHA-GDBMZVCRSA-N 323.408 3.158 10 10 DGCE COC(=O)/C=C\c1ccc(N2CC[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 764186552 HQOOGWKOKNHMSN-NMNMAYGDSA-N 316.357 3.017 10 10 DGCE C[C@H](NC(=O)NCC[C@@H]1CCCS1)c1ccc(N(C)C)cc1 868515653 OSRKBKIVFLIXRH-BBRMVZONSA-N 321.490 3.399 10 10 DGCE C[C@H](N[C@@H]1CCCC[C@@H]1O)c1cccc(C(F)(F)F)c1O 788607655 LYFYOKCYXBNCON-BIMULSAOSA-N 303.324 3.365 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@H]3[C@H](C2)C3(F)F)c(Br)c1 715495303 VAGKVGQWCVHLSK-JEZHCXPESA-N 317.177 3.170 10 10 DGCE Cc1c(C(=O)NCc2cccc(O)c2O)oc2ccc(F)cc12 1153792978 WXKYLQUEUXDDCN-UHFFFAOYSA-N 315.300 3.222 10 10 DGCE Cc1cc(-c2nc(C(=O)N[C@@H](C)c3ccccc3O)co2)ccn1 1171729453 CWKUXEKYXQUUMP-LBPRGKRZSA-N 323.352 3.242 10 10 DGCE c1cc(N2CCCC2)ccc1CN1CCC[C@H]2COCC[C@H]21 1324777099 VDCBTEMXUHLCDW-PKOBYXMFSA-N 300.446 3.288 10 10 DGCE [N-]=[N+]=NC1CCN(C(=O)Cc2ccccc2Br)CC1 1912149723 KGCMABRONARGLC-UHFFFAOYSA-N 323.194 3.293 10 10 DGCE COc1ccc2c(c1)c1c(n2CC(=O)NC2CC=CC2)CCCC1 1437417357 VKFLMMLHQQYRHT-UHFFFAOYSA-N 324.424 3.364 10 10 DGCE c1ccc(CN2CCC[C@H](NCc3ccc4c(c3)CCO4)C2)cc1 108206633 HCZVMEQTCGCXDS-FQEVSTJZSA-N 322.452 3.376 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H]1C1CCCCC1 1291756624 MSEPBYPQEQSJKV-OAHLLOKOSA-N 303.402 3.212 10 10 DGCE C[C@@H](c1ccccn1)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 1544557761 MUCGPDOGAFKZNU-NSHDSACASA-N 311.345 3.077 10 10 DGCE CC1CCN(c2ccc(CNC(=O)[C@H]3CCC=CO3)cc2)CC1 1616694153 FFPFGODRRCDPKY-GOSISDBHSA-N 314.429 3.232 10 10 DGCE CCC(=CC(=O)NC[C@@H](C)NCc1ccc(OC)c(C)c1)CC 1480444394 MVEQQAPYNQSKCB-OAHLLOKOSA-N 318.461 3.344 10 10 DGCE O=C(NCc1cccc(-c2cnco2)c1)c1cc(O)cs1 1628221547 NESWAVRMEQJLRQ-UHFFFAOYSA-N 300.339 3.039 10 10 DGCE C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1c(O)cccc1F 1558454961 IPUXAJIWHXUCSJ-SNVBAGLBSA-N 323.751 3.268 10 10 DGCE CC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(C)c(F)c1 1637379027 WXRNHSMWDMIPMD-OAHLLOKOSA-N 317.360 3.355 10 10 DGCE COc1ccc(N(C)CCN(C)C[C@@H]2C[C@H]3CCC[C@H]3O2)cc1 1646717627 BVAPLALEKQDNOT-AYOQOUSVSA-N 318.461 3.021 10 10 DGCE COCc1ccccc1C(=O)NCc1cccc(Cl)c1O 1653563649 HSEWGECOMQLZKR-UHFFFAOYSA-N 305.761 3.122 10 10 DGCE COc1cccc2cc(C(=O)NCc3c(O)cccc3F)oc12 1652295912 VCEGMTPMABBKGN-UHFFFAOYSA-N 315.300 3.216 10 10 DGCE Cc1ncccc1/C=C\C(=O)Nc1c(Cl)ccc2nonc12 1586677219 PETRAUIRLOAQDJ-DAXSKMNVSA-N 314.732 3.232 10 10 DGCE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1[C@@H](N)c1ccccc1O 1930750747 YAPXAJICCRBLQL-BYCMXARLSA-N 306.406 3.038 10 10 DGCE NC(=O)c1cccc2c1N[C@@H](c1ccccc1O)[C@@H]1CC=C[C@H]21 14473838 WIBYZHIONRWMHH-XWCIJXRUSA-N 306.365 3.318 10 10 DGCE CN[C@H](C[C@@H](NC(=O)OC(C)(C)C)C1CC1)c1ccccc1O 1936988033 YAVLFPLYIUJEPX-HUUCEWRRSA-N 320.433 3.346 10 10 DGCE C[C@H]1CN(Cc2ccccc2)C[C@@H]1NCc1ccc2c(c1)CCO2 237682085 MALQOJFNDZGVRW-JXFKEZNVSA-N 322.452 3.232 10 10 DGCE C[C@H]1CO[C@@H](CN(C)Cc2cccc(Br)c2O)C1 1974413099 HNKXNXCFOHTCBF-ZYHUDNBSSA-N 314.223 3.012 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN1Cc1sncc1Br 1984485262 IFQMTSXERFHRIV-ZETCQYMHSA-N 302.201 3.180 10 10 DGCE CN[C@H](c1csc(Cl)c1)[C@H](O)c1ccc(N(C)C)cc1 2154425334 ZDRRZDZOYVINGO-HUUCEWRRSA-N 310.850 3.462 10 10 DGCE C[C@H](c1cc(F)ccc1O)N(CCCN)Cc1ccccc1 309799476 SAHFDIJAMZWEFW-CQSZACIVSA-N 302.393 3.443 10 10 DGCE Nc1ccc(CNC(=O)Cc2c(Cl)cccc2Cl)cc1 700573311 WWOZZGICJXOJPG-UHFFFAOYSA-N 309.196 3.435 10 10 DGCE C[C@@H](CC(=O)NCCN=[N+]=[N-])c1ccc(Br)cc1 706114904 MNWLYDUKILXJCU-VIFPVBQESA-N 311.183 3.369 10 10 DGCE Oc1ccc(Br)cc1CN1CC[C@H](C(F)F)C1 707159952 LIFLQTNMHOLHET-QMMMGPOBSA-N 306.150 3.242 10 10 DGCE Cc1ccc(C2=NC(=O)C(=Cc3ccc(N(C)C)cc3)O2)cc1 2059876230 ROBRERSUIBZPRE-UHFFFAOYSA-N 306.365 3.406 10 10 DGCE CCN1C(=O)C(=C/C=C/c2ccc(OC)cc2)SC1=S 2059974929 AYIXBONFEYZKDO-FBFFZRJDSA-N 305.424 3.473 10 10 DGCE COCCC1CCN(c2cc(Cl)c(CN)cc2F)CC1 2177386281 YZPUZKZRYCSFMA-UHFFFAOYSA-N 300.805 3.191 10 10 DGCE COc1cc(Cl)cc(CN2CC[C@H](P(C)(C)=O)C2)c1O 2181602984 CUOMMNWAZDWADR-LBPRGKRZSA-N 317.753 3.251 10 10 DGCE CSCC1(C)CN(Cc2cc(Cl)cc(C(C)=O)c2O)C1 2182719018 RVTRUPXBSVVOTQ-UHFFFAOYSA-N 313.850 3.433 10 10 DGCE CC(F)(F)[C@@H]1CCN(c2ccc(CO)cc2Br)C1 2042059793 PXNLVNWDNNMSOZ-SNVBAGLBSA-N 320.177 3.423 10 10 DGCE COc1cccc(O)c1CNCc1coc(Br)c1 2042572272 WBVWLVBKIVDRLP-UHFFFAOYSA-N 312.163 3.046 10 10 DGCE CCNCc1ccc(N2C[C@@H](OC)C[C@H]2CF)c(Cl)c1 2190231915 HCXCWWFZKBUHBL-STQMWFEESA-N 300.805 3.013 10 10 DGCE CNCc1ccc(N(C)CC[C@H](C)OC)cc1Br 2059361741 GQPQKPGQZFBKQC-NSHDSACASA-N 315.255 3.030 10 10 DGCE CCC[C@@H]1C[C@@H](NCc2ccc(Br)cc2O)CO1 2065792359 TVQOXLYPSPHTMP-CHWSQXEVSA-N 314.223 3.202 10 10 DGCE CN[C@@H](c1ccccc1O)c1cc(Br)ccc1OC 2090041025 WIGUVYQSGISDQR-HNNXBMFYSA-N 322.202 3.472 10 10 DGCE CN(C)c1ccc(C=C2CNCc3c2n[nH]c3C(F)(F)F)cc1 2295152924 JBUOZVCPNLVBEN-UHFFFAOYSA-N 322.334 3.138 10 10 DGCE COCCN(CCOC)N=Nc1ccc(C(F)(F)F)cc1 2330251592 NTKCDABYWSVHAH-UHFFFAOYSA-N 305.300 3.299 10 10 DGCE CC[C@@H]1CC(=O)CN1Cc1ccc(C)c(Br)c1O 2327540553 XWJFENKRUNJSRM-LLVKDONJSA-N 312.207 3.017 10 10 DGCE Cc1ccc(CN(C)C(=O)c2ccc[nH]2)c(O)c1Br 2352654142 FVCQSHJEKZHCFZ-UHFFFAOYSA-N 323.190 3.063 10 10 DGCE OC[C@]12CC[C@H](C[C@H]1NCc1cc(Cl)cc(Cl)c1O)C2 2354531485 XUBBTNHDARDLAX-XXLQHYSLSA-N 316.228 3.340 10 10 DGCE CCN(/C=C1\SC(=S)N(c2cccc(OC)c2)C1=O)CC 59397249 NLHXMDNSWFDUNW-RAXLEYEMSA-N 322.455 3.243 10 10 DGCE Cc1cccc(CN2CCC[C@H](NC(=O)OC(C)(C)C)C2)c1O 179704341 SAYMWFRRMTVFES-HNNXBMFYSA-N 320.433 3.190 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)C(=O)Nc1ccc(N)c(Cl)c1 170245143 CPYGAZMMGUQJKY-VIFPVBQESA-N 320.776 3.151 10 10 DGCE CCOc1cc(C(=O)NCc2cc(OC)ccc2O)ccc1C 114541323 BOVJSAHIVPVXNN-UHFFFAOYSA-N 315.369 3.038 10 10 DGCE CN(C)c1ccc([C@H](Cc2cc(F)ccc2Cl)NN)cc1 127123944 FUVIDAGHNAJOIW-INIZCTEOSA-N 307.800 3.292 10 10 DGCE Cc1ccc(F)c([C@@H](NCCCN=[N+]=[N-])C(=O)O)c1Cl 2360756508 GJQWBPASDGLGRL-LLVKDONJSA-N 300.721 3.203 10 10 DGCE C[C@H](Nc1cc(S(C)(=O)=O)ccc1F)c1ccccc1O 37058228 DUDNGVJPQXYJCL-JTQLQIEISA-N 309.362 3.108 10 10 DGCE Cc1cc(C(=O)NCCCn2ccnc2)c(C)n1-c1ccccc1 72525338 NBUSENNCBMNBHJ-UHFFFAOYSA-N 322.412 3.111 10 10 DGCE COc1cc([N+](=O)[O-])c(N(C)C)cc1Sc1ccncc1 90516291 UMYACXUIYHJCED-UHFFFAOYSA-N 305.359 3.216 10 10 DGCE COc1cccc(CN2C[C@H](C)O[C@@H](c3ccccc3)C2)c1O 92486451 BMAMFFRUWVKJKP-KBXCAEBGSA-N 313.397 3.363 10 10 DGCE CSc1ccc([C@@H](NN)c2ccc3c(c2)CCN3C)s1 2163139865 CLVPLWRJHNLVGT-HNNXBMFYSA-N 305.472 3.015 10 10 DGCE CN(CCCO)Cc1ccc(N(C)Cc2cccs2)cc1 296962750 ULICJHXGTWYNMW-UHFFFAOYSA-N 304.459 3.199 10 10 DGCE CO[C@@H]1CCCC[C@@H]1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 816180109 FTDKIHATECDHLD-XOKHGSTOSA-N 304.434 3.135 10 10 DGCE C[C@H](N[C@H]1CCNC[C@@H]1C)c1cccc(C(F)(F)F)c1O 817969927 IIMHSOVRTIMHRF-KWBADKCTSA-N 302.340 3.060 10 10 DGCE CCOc1ccc(CN2CCOC[C@H]2CC2CCC2)c(O)c1 816667906 ZIQCXVOLHMUEIO-MRXNPFEDSA-N 305.418 3.182 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)Nc3ccsc3)C2)cc1 821826194 FVIRCSSKGJQBKP-LBPRGKRZSA-N 317.414 3.157 10 10 DGCE CN[C@@H](C)c1ccc(N2CCOC[C@@H]2C(F)F)cc1Cl 2175653057 FHLLAOJZQKBRMT-TVQRCGJNSA-N 304.768 3.091 10 10 DGCE Cc1cccc(CN(C)Cc2csc(C(C)(C)O)n2)c1O 825153308 KOYYGHLVRBOYNH-UHFFFAOYSA-N 306.431 3.017 10 10 DGCE CO[C@]1(CN[C@H]2C[C@@H](C)c3c(F)ccc(O)c32)CCSC1 903314739 PFCQFSMYCOVKDN-XAGWURHQSA-N 311.422 3.191 10 10 DGCE CN(C)c1ccc(/C=C\CNC[C@H]2CSCCS2)cc1 835041746 DQSVCWATWVEADU-QGZUEGPWSA-N 308.516 3.204 10 10 DGCE CCOc1ccc(O)c([C@@H]2NC(=O)c3ccc(Cl)cc3N2)c1 914794932 FSYWMCLTRMKCSF-HNNXBMFYSA-N 318.760 3.298 10 10 DGCE CCc1cccc(CN2C[C@H](C(F)(F)F)OC[C@@H]2C)c1O 848910151 HJLYIEHNGQMZRY-GXFFZTMASA-N 303.324 3.106 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)C3(F)CCCCC3)C2)cc1 855225296 JNHAWYAYAJKJNQ-CQSZACIVSA-N 320.408 3.063 10 10 DGCE O=C(NCc1c(O)cccc1F)NC[C@@H]1CCCC(F)(F)C1 922354140 FWBYRNHVZZLBGL-SNVBAGLBSA-N 316.323 3.156 10 10 DGCE C[C@@H](NCCc1cnc(C2CC2)nc1)c1cc(F)cc(F)c1O 756768586 FDOHOTRZCPTCTQ-SNVBAGLBSA-N 319.355 3.231 10 10 DGCE CC(C)(C)OC(=O)Nc1cccc([C@H]2NCCCCC2=O)c1O 1952820096 CTPBFYWRMNNJJJ-CQSZACIVSA-N 320.389 3.123 10 10 DGCE CCc1noc([C@@H]2CC[C@H](N[C@H](C)c3cc(F)ccc3O)C2)n1 927046739 BJYKZSYCEGCEQA-WZRBSPASSA-N 319.380 3.464 10 10 DGCE CC(C)Oc1ccc(COC(=O)c2cccc(O)c2O)cc1 758558982 OZHTWRHIMPCWNV-UHFFFAOYSA-N 302.326 3.242 10 10 DGCE CC(=O)c1cc(F)cc(CN[C@]2(CO)CCCC(C)(C)C2)c1O 859616886 SQSYPZAZPNGQJK-GOSISDBHSA-N 323.408 3.155 10 10 DGCE Nc1ccc(NC(=O)NCC2([C@H]3CCCCO3)CCC2)cc1 868162061 CGEPCMACCLZYCT-OAHLLOKOSA-N 303.406 3.130 10 10 DGCE Oc1c(Cl)cccc1CNCCc1cnc(C2CC2)nc1 776252776 FVWQKTCRVRZRQL-UHFFFAOYSA-N 303.793 3.045 10 10 DGCE Cc1nc2c(s1)[C@H](NC(=O)NCc1ccccc1O)CCC2 780829634 ZFWNYMIAQZXRSI-CYBMUJFWSA-N 317.414 3.034 10 10 DGCE CCN(Cc1ncccc1Br)c1ccc(N)cc1 386413478 YIXUHUVIZPTKLC-UHFFFAOYSA-N 306.207 3.453 10 10 DGCE COc1ccc(CNCCCOCc2ccccc2)c(O)c1 390109826 WFNDHJRHADGNMV-UHFFFAOYSA-N 301.386 3.097 10 10 DGCE O=C1NC(=S)SC1=Cc1cc(Cl)cc(Cl)c1O 2293069332 DKPUTSXUNGELDW-UHFFFAOYSA-N 306.195 3.188 10 10 DGCE CN[C@@H](c1ccccc1O)[C@]12C[C@](NC(=O)OC(C)(C)C)(C1)C2 1903070990 ZCNRVMWBBWNLEK-JCGIZDLHSA-N 318.417 3.100 10 10 DGCE CN(CCCN=[N+]=[N-])C(=O)c1c(F)cccc1Br 1912149643 JGYYYOASIAZBCK-UHFFFAOYSA-N 315.146 3.361 10 10 DGCE O=C(/C=C\c1ccc(Cl)cc1)NCc1c(O)cccc1O 1456313773 HJYFOQVPBOJFCE-TWGQIWQCSA-N 303.745 3.081 10 10 DGCE CCc1nc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)co1 1525106893 OAWCCYTXZOPKGV-UHFFFAOYSA-N 313.401 3.109 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](C)CC(C)(C)O 1624370734 VSDHGVMAXCOPLF-NSHDSACASA-N 320.458 3.435 10 10 DGCE Cc1ccc(C(=O)Nc2ccccc2OCCF)c(O)c1O 1637306795 ICPGWNDWRXZOSM-UHFFFAOYSA-N 305.305 3.007 10 10 DGCE COc1ccc(N(C)CCN(C)C[C@@H]2CC[C@H]3C[C@@H]3C2)cc1 1643685493 ZSYXFJYSHRDSTP-IKGGRYGDSA-N 302.462 3.499 10 10 DGCE C[C@H](NC(=O)CNc1ccccc1Cl)c1ccccc1O 1587450977 CNNVDUQSDRZPAG-NSHDSACASA-N 304.777 3.335 10 10 DGCE CC[C@H]([C@@H](NC)c1ccccc1O)N(C)C(=O)OC(C)(C)C 1928472718 SZKNQUPXYLPJQR-HIFRSBDPSA-N 308.422 3.298 10 10 DGCE COc1ccc(OC(F)F)c(NC(=O)c2cc(O)cs2)c1 1596142376 HGLFDTOLEUTJMX-UHFFFAOYSA-N 315.297 3.316 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCC1CC=CC1 1686827000 UPNCYWAFMBGDFU-OAHLLOKOSA-N 315.461 3.257 10 10 DGCE COCCNCc1ccc(N(C)[C@@H](C)CCSC)c(C)c1 161707312 SCRXUMHWJYIFDM-HNNXBMFYSA-N 310.507 3.309 10 10 DGCE CC[C@@H](NC(=O)N(C)Cc1ccccc1O)c1nccs1 162803182 HBHQIFQBOZGXAN-GFCCVEGCSA-N 305.403 3.141 10 10 DGCE COc1ccc(Br)nc1NCc1cccc(C)c1O 2139751172 QSBAXXIQARKVPU-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE Cc1cc(C)c(O)c(CN2CCO[C@@H](c3nccs3)C2)c1 164367156 SWZAAJMYVZJVSS-CQSZACIVSA-N 304.415 3.039 10 10 DGCE C[C@H](O)[C@H]1CCN(c2ccc(CNC(C)(C)C)cc2Cl)C1 167887913 DRIVNLWITWXQBQ-JSGCOSHPSA-N 310.869 3.435 10 10 DGCE CN[C@@H](CC1(NC(=O)OC(C)(C)C)CCC1)c1ccccc1O 1936967576 ITNWAXQCTILYJB-AWEZNQCLSA-N 320.433 3.490 10 10 DGCE Cc1cccc(O)c1CN[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C 1894376967 PSICHERRSKGBHE-UKRRQHHQSA-N 320.433 3.046 10 10 DGCE C[C@]1(CNCc2c(O)cccc2Br)CCCOC1 1962989347 UODHNPDJFPPKFA-CQSZACIVSA-N 314.223 3.061 10 10 DGCE Cc1c(Br)c(COc2ccc(N(C)C)cc2)nn1C 1969677713 MPTVQSIEEMAKAX-UHFFFAOYSA-N 324.222 3.136 10 10 DGCE Oc1cccc(Br)c1CNC[C@H]1C(F)(F)C12CC2 1974199788 WPSGPUUMIPTGMR-LLVKDONJSA-N 318.161 3.290 10 10 DGCE CSC[C@H]1C[C@@H](NCc2cc(Br)ccc2O)C1 1974452705 KEYCGOYFHONCCO-WVSHTKLVSA-N 316.264 3.386 10 10 DGCE CC(C)(C)OC(=O)NCC[C@@H]1CCCN(c2ccc(N)cc2)C1 1977966694 XGKRKEWPZGTZKS-AWEZNQCLSA-N 319.449 3.400 10 10 DGCE CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](N)c1ccc(N(C)C)cc1 1977944477 GMWYBROUQIHMJZ-CZUORRHYSA-N 321.465 3.303 10 10 DGCE CCN[C@@H](c1cnn(Cc2ccccc2)c1)c1ccccc1O 1978563822 ORKJCJJASIXLNT-IBGZPJMESA-N 307.397 3.336 10 10 DGCE CC(C)(C)OC(=O)NC[C@H]1C[C@](N)(c2ccccc2O)C1(C)C 1981683309 XSRSWJNDZZMGEW-XIKOKIGWSA-N 320.433 3.117 10 10 DGCE CC[C@H](O)CN(Cc1ccccc1)c1ccc2c(c1)CC[C@H]2N 1986606254 KGXMWPQIUCCKOY-AZUAARDMSA-N 310.441 3.410 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H](NCc2ccccc2O)C12CCC2 1988282445 PXFSEJHIZAQGCS-HNNXBMFYSA-N 318.417 3.024 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1C[C@@H]2Oc1ccc(N)cc1 1992464968 HYFCVPQQTSSQQF-VZAMPYOESA-N 318.417 3.339 10 10 DGCE CN(C)c1ccc([C@](C)(O)c2ccnn2Cc2ccccc2)cc1 2024736714 JAEAOZMNJDTRFI-FQEVSTJZSA-N 321.424 3.253 10 10 DGCE CO[C@@H]1CC[C@H]1N(C)c1ccc([C@@H](C)N)cc1Br 724221014 GFMXUIWQHVDEEC-OWYVNGRQSA-N 313.239 3.082 10 10 DGCE Oc1ccc(F)cc1Cn1ncc(C2CC2)c1Br 2070259401 BYZWPRMBTCPLNT-UHFFFAOYSA-N 311.154 3.416 10 10 DGCE CC[C@H](c1ccc(C)cc1O)n1nc(C2(C)CC2)c(CO)c1N 2079022859 LKCVBDCNZMNJFJ-CQSZACIVSA-N 315.417 3.023 10 10 DGCE Cc1cc(CN)ccc1N(C)[C@H]1CS[C@H](C(F)(F)F)C1 2189455881 YKJVSDZOUTZCED-YPMHNXCESA-N 304.381 3.326 10 10 DGCE C[Si]1(C)CCN(CCNCc2ccc(Cl)cc2O)CC1 2184625169 KXNYGPHETZXBBT-UHFFFAOYSA-N 312.917 3.159 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@@H]3C[C@@H]3[C@H]3C[C@H]32)c(Br)c1 2053731590 XHJXOKOKMADWCO-JJKIJVRYSA-N 308.219 3.347 10 10 DGCE CN[C@H](C)c1cc(F)c(N2CC[C@@H](CSC)C2)c(F)c1 2194695002 QEPLEKGXXQRCEU-GHMZBOCLSA-N 300.418 3.435 10 10 DGCE CCC(CC)NCc1c(Br)ccc(OC)c1O 2214870171 YZPGQTQTZNHYJA-UHFFFAOYSA-N 302.212 3.442 10 10 DGCE CCCN[C@@](CSc1nccs1)(C[C@H](C)CC)C(=O)O 2207914579 IKRJIVWFAWCOJU-BXUZGUMPSA-N 316.492 3.494 10 10 DGCE COc1ncc(Br)cc1NCc1c(C)cccc1O 2232152867 DBDPSQQPTZFMIA-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE C[C@H](N)c1ccc(N(C)C[C@@H](F)[C@H]2CCOC2)cc1Cl 2238325108 XQKHKJVFVBRYGV-ZIBATOQPSA-N 300.805 3.171 10 10 DGCE Cc1cc(O)ccc1CNCc1cc(Br)ccc1O 2279020612 JTPGDWCDVLDOOL-UHFFFAOYSA-N 322.202 3.459 10 10 DGCE Brc1cc(CNC2CC2)ccc1N1CCSC1 2303473399 WJYGOCYZASFQPT-UHFFFAOYSA-N 313.264 3.212 10 10 DGCE Oc1ccc(N=NN2CCN(c3ccc(F)cc3)CC2)cc1 2330146424 DEVBHYJQMMBQNP-UHFFFAOYSA-N 300.337 3.352 10 10 DGCE CCOC(C)(C)CNCc1ccc(C)c(Br)c1O 2327624914 WJGJFNWRNFXEGV-UHFFFAOYSA-N 316.239 3.368 10 10 DGCE CCOC(=O)[C@@](C)(CCCSc1nccs1)NC1CC1 45596220 YWPAAYLLJLWFEY-CQSZACIVSA-N 314.476 3.089 10 10 DGCE CC1(C)C[C@H]2C[C@@](C)(CN2CC(=O)Nc2ccc(N)cc2)C1 104807891 IWRUUSOZSIOHPL-MAUKXSAKSA-N 301.434 3.108 10 10 DGCE CCc1cc(C)c(C(=O)N[C@H](C)c2cc(OC)ccc2O)o1 122291165 LHQQYSQXCGACKT-LLVKDONJSA-N 303.358 3.356 10 10 DGCE C[C@H]1CN(c2ccc(CNC(C)(C)C)cc2Cl)CCN1C 164073857 JUNOMLJHWNMXSW-ZDUSSCGKSA-N 309.885 3.368 10 10 DGCE CNCc1ccc(N2C[C@H](C)OC[C@H]2C)cc1C(F)(F)F 167358151 QIKMMGSSCHQOPQ-MNOVXSKESA-N 302.340 3.038 10 10 DGCE CNCc1ccc(N(CCOC)C2CC2)cc1C(F)(F)F 167370315 WGDVDDQSHOCXBK-UHFFFAOYSA-N 302.340 3.040 10 10 DGCE COc1cc(OC)cc([C@H]2CCN(Cc3ccccc3O)C2)c1 179583510 HJWLLIOGSFHPBH-AWEZNQCLSA-N 313.397 3.399 10 10 DGCE C[C@@H]1CN2CCC[C@H]2CN1Cc1cc(Cl)cc(Cl)c1O 245888794 JETXGHBMIWWGAU-MFKMUULPSA-N 315.244 3.368 10 10 DGCE CC(F)(F)CCCNC(=O)NCc1ccc(N2CC=CC2)cc1 296511936 SSNQPZJMQOLUQC-UHFFFAOYSA-N 323.387 3.297 10 10 DGCE COC(=O)/C=C/c1ccc(N2CC[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 301491975 OQGWNEVBOATVIW-ONYUAGEFSA-N 304.346 3.016 10 10 DGCE COc1ccc(O)c([C@@H](C)NC[C@@H](O)c2ccc(F)cc2C)c1 305786125 XYXVISDKLVFZEY-KZULUSFZSA-N 319.376 3.233 10 10 DGCE CC[C@@H](C)N(CCO)c1ccc([C@@H](C)N)c(Br)c1 310767843 LVRKVBLOJQTWRI-GHMZBOCLSA-N 315.255 3.066 10 10 DGCE CO[C@@]1(C)CCN(c2ccc([C@H](C)N)c(Br)c2)C1 311159408 PGBDKULHPLTIFP-HZMBPMFUSA-N 313.239 3.084 10 10 DGCE CCS[C@@H]1CCC[C@H]1NCc1ccc(N2CCOCC2)cc1 319311903 HPSLZVGUKUKIGH-QZTJIDSGSA-N 320.502 3.287 10 10 DGCE Cc1cc(N2CCCN(Cc3ccccc3)CC2)ccc1CN 323427496 VLWFGVAJSCKREP-UHFFFAOYSA-N 309.457 3.166 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCCC2(CC2)C1 611648745 FRTAXQPYYIKMGG-AWEZNQCLSA-N 314.429 3.448 10 10 DGCE C[C@H](CNCc1cccc(Br)c1O)C(F)(F)F 697716969 OLVTXPQKIQIMCE-SSDOTTSWSA-N 312.129 3.443 10 10 DGCE CN(C[C@H]1C[C@H]1C1CC1)c1ccc(CN)cc1Br 698339770 RTMHUNCNAJHPGA-OLZOCXBDSA-N 309.251 3.390 10 10 DGCE Nc1ccc(O)c(CNC(=O)c2cc3cscc3s2)c1 703676125 PFLROXGREAEMKY-UHFFFAOYSA-N 304.396 3.181 10 10 DGCE Oc1c(Br)cc(Cl)cc1CNOCC1CC1 708176313 FSHGIBPPLTZLEA-UHFFFAOYSA-N 306.587 3.239 10 10 DGCE O=C(c1cc(O)cs1)N1CCC[C@@H](CN2CCCCCC2)C1 732286312 QPJWKHXZZZHRQS-AWEZNQCLSA-N 322.474 3.182 10 10 DGCE CN1CCCc2cc(CNC(=O)N3CCCC(C)(C)C3)ccc21 733038453 IRKFIUMYINLBCB-UHFFFAOYSA-N 315.461 3.401 10 10 DGCE COC(=O)/C=C/c1ccc(N2C[C@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 740870852 KKWNRWJYUCETSR-BAEOLTKYSA-N 304.346 3.016 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CC23CCCC3)c1 759304552 IDLUHWVOQSMWRT-IAQYHMDHSA-N 304.390 3.094 10 10 DGCE CCN1C(=O)/C(=C\c2cncc3ccccc23)SC1=S 772802112 KVPISWDVFPHFDM-NTUHNPAUSA-N 300.408 3.456 10 10 DGCE C[C@@H](NCCCCN(C)C)c1cccc(C(F)(F)F)c1O 788574403 SZLURFALCMJYCU-LLVKDONJSA-N 304.356 3.403 10 10 DGCE CC(C)c1nc([C@@H](C)NC/C=C\c2ccc(N(C)C)cc2)n[nH]1 835042390 UXFCWJXEJUYTRC-LMVHVUTASA-N 313.449 3.358 10 10 DGCE Cc1ccc(CN(C/C=C\c2ccc(N(C)C)cc2)CCO)o1 835050904 GCGRWKOLOFTFEH-PLNGDYQASA-N 314.429 3.162 10 10 DGCE Cc1cc(O)c(CNC2CCN(C(=O)C(C)C)CC2)c(Cl)c1 840876254 TUTGWMGLOVMJBX-UHFFFAOYSA-N 324.852 3.091 10 10 DGCE COc1cccc([C@H](C)N[C@@H](c2ccccc2F)[C@@H](C)O)c1O 846183456 OKNBCNHSEDDZEW-XWCIJXRUSA-N 319.376 3.313 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@H]3CCCSCC3)C2)cc1 850489186 WGENMJRGCYZOIY-LSDHHAIUSA-N 306.475 3.149 10 10 DGCE CC[C@H](NCC1(CC(N)=O)CCCCC1)c1ccc(F)cc1O 850573453 MBFXGLVOPNMGTQ-HNNXBMFYSA-N 322.424 3.398 10 10 DGCE CO[C@@H](C)CN(C)C(=O)Cc1cc(C)n(-c2ccccc2)c1C 854445110 MCFQNWZLTZSVIJ-HNNXBMFYSA-N 314.429 3.130 10 10 DGCE COc1ccc(N2CCC(N[C@@H]3[C@H](C)O[C@H](C)[C@H]3C)CC2)cc1 858283611 MNCQFFOSTYTKAU-CUYVQJCZSA-N 318.461 3.066 10 10 DGCE CCN(CC)c1ccc(CNCc2cncc(O)c2)cc1F 922975503 GWDBLKVAZPOHSQ-UHFFFAOYSA-N 303.381 3.062 10 10 DGCE C[C@]1(CC(=O)NCc2c(O)cccc2F)CC1(Cl)Cl 928705019 CBJIIVWLYORBIA-LBPRGKRZSA-N 306.164 3.122 10 10 DGCE O=C(NCc1c(O)cccc1F)c1ccn(C2CCCCC2)n1 928707590 FVRJAZBNZXXAFP-UHFFFAOYSA-N 317.364 3.163 10 10 DGCE COc1cccc(O)c1C(=O)Nc1cccc(N2CCCC2)c1 1141903650 PBDXUJWAESJMNL-UHFFFAOYSA-N 312.369 3.253 10 10 DGCE Cc1cc(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)cnn1 1151154341 UPGHLFXKIRVKSS-UHFFFAOYSA-N 320.396 3.123 10 10 DGCE Cc1[nH]c2ccccc2c1CC(=O)N1Cc2cccc(O)c2C1 1302787480 NMTAGJAPMUHYFO-UHFFFAOYSA-N 306.365 3.267 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)/C(C)=C/c2ccccn2)c1 1445971232 ULDSCMFVZAYXMD-XSNHNAGMSA-N 312.369 3.077 10 10 DGCE C[C@H](NC(=O)c1cncc(C(F)(F)F)c1)c1ccccc1O 1454820583 SGNDMVKQLOOEQF-VIFPVBQESA-N 310.275 3.297 10 10 DGCE Cc1cc(CC(=O)Nc2nccn2C)c(C)n1-c1ccccc1 1525569667 KBGSRVOCRIPMAS-UHFFFAOYSA-N 308.385 3.009 10 10 DGCE Cn1cnc(/C=C\C(=O)N2CCCCc3cc(Cl)ccc32)c1 1529003165 IYFNEZHEIHRCHI-VURMDHGXSA-N 315.804 3.456 10 10 DGCE C[C@H]1C[C@@H](c2ccccc2)N(C(=O)Cc2ccc(O)c(O)c2)C1 1556530032 YRXWMZHGBDIYTE-BBRMVZONSA-N 311.381 3.250 10 10 DGCE COc1cc(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)[nH]n1 1557509568 BLJCPMWIGOMQED-UHFFFAOYSA-N 324.384 3.387 10 10 DGCE O=C(NCc1cccc(Cl)c1O)[C@H]1C[C@@H]1c1ccccc1 1558757367 BJYVHMROCCXQHG-KGLIPLIRSA-N 301.773 3.466 10 10 DGCE O=C(NCc1ccccc1O)NC[C@@H]1CSc2ccccc21 1564813395 JQLGYRDRJJLYDN-CYBMUJFWSA-N 314.410 3.081 10 10 DGCE COc1cccc(F)c1CNC(=O)N[C@@H](C)c1ccccc1O 1565410829 AXWWDAHVVGMZEB-NSHDSACASA-N 318.348 3.100 10 10 DGCE C/C(=C/c1ccc(Cl)cc1)C(=O)NCc1c(O)cccc1O 1597574910 VIEBLKNZCKPHLE-LUAWRHEFSA-N 317.772 3.471 10 10 DGCE Cc1cc(C)cc(C[C@@H](C)NC(=O)Cc2ccc(O)c(O)c2)c1 1620500673 MCWPOJVGTZWXSS-CQSZACIVSA-N 313.397 3.005 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)[C@]2(C)CC(C)=NO2)cc1 1628857933 RVMSGZICXBDZSZ-SFHVURJKSA-N 317.433 3.046 10 10 DGCE CCCN1CCC[C@H](C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 1633315057 CXUDOHRQHCJUML-WBVHZDCISA-N 317.477 3.052 10 10 DGCE C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NCc2cc(O)ccc2O)o1 1633595292 QLGUVAINTJEGEH-ABAIWWIYSA-N 315.369 3.063 10 10 DGCE CC1(C)C[C@@]1(NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 1641299372 LCXWWLYRJWBQRI-LJQANCHMSA-N 311.381 3.082 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2C[C@H]1CCCC2(CCC2)O1 1654010988 GTBPTWGLSLINIR-MRXNPFEDSA-N 316.445 3.443 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H](C)C1(C)CC1 1683426284 WPQPUFNFBOAPQB-LSDHHAIUSA-N 317.477 3.480 10 10 DGCE CCCCN(C)C(=O)CCNCc1ccc(N(CC)CC)cc1 1857863545 TUCGJJQQZWNADA-UHFFFAOYSA-N 319.493 3.271 10 10 DGCE [N-]=[N+]=NC[C@H]1CCN(Cc2ncc(Br)s2)C1 1912150218 QMWMHVXMPMICAC-SSDOTTSWSA-N 302.201 3.038 10 10 DGCE CC(C)(C)OC(=O)N[C@H](c1ccc(N)cc1O)C(F)(F)F 1953006231 FFIQECINTBXIAA-SNVBAGLBSA-N 306.284 3.103 10 10 DGCE C[C@H](c1cc(F)ccc1O)N(Cc1ccccc1)C1CNC1 1958647961 DLNURCCHDYPVCK-CYBMUJFWSA-N 300.377 3.066 10 10 DGCE C[C@@H]1C[C@@H](CCNC(=O)OC(C)(C)C)CCN1CCN=[N+]=[N-] 1962303458 HPOKDKKNIQWLFV-OLZOCXBDSA-N 311.430 3.312 10 10 DGCE CCN(C(=O)OC(C)(C)C)[C@H](C)CNCc1c(C)cccc1O 1963257474 XDJMYYHCIZAZFZ-CQSZACIVSA-N 322.449 3.436 10 10 DGCE C[C@H]1OCC[C@@H]1CCNCc1cccc(Br)c1O 1972146600 QFQOYJNIMHVNDO-MNOVXSKESA-N 314.223 3.059 10 10 DGCE C[C@@H]1C[C@@H]([C@@H](O)c2ccc(N(C)C)cc2)N1C(=O)OC(C)(C)C 1977939393 PULMKXVNWYZGED-KCXAZCMYSA-N 320.433 3.184 10 10 DGCE NCc1ccc(N2CCC[C@H](OCc3ccccc3)C2)c(F)c1 1987054669 OOZWRPFYSWUEJH-KRWDZBQOSA-N 314.404 3.470 10 10 DGCE CNCc1ccc(N2CCC[C@](C)(F)C2)cc1Br 2034769097 MJLBGBLUJCYPHD-AWEZNQCLSA-N 315.230 3.497 10 10 DGCE CSCCCN1C(=O)C(=Cc2cccnc2)SC1=S 2040490791 ZYVJSWXEUHKZIF-UHFFFAOYSA-N 310.469 3.036 10 10 DGCE C[C@]1(Oc2ccc(N)cc2)CCN(CCOc2ccccc2)C1 2069574919 FAZIJDNDKWUGBD-IBGZPJMESA-N 312.413 3.191 10 10 DGCE Cc1cc(O)c([C@H](C)n2nc(O)cc2Br)cc1C 2070313727 ZKUFZYTVNPNCAC-VIFPVBQESA-N 311.179 3.283 10 10 DGCE C[C@@H](c1ccccc1O)N(C)c1ccnc(Br)n1 2072466329 DTDWVPSTIBBIPR-VIFPVBQESA-N 308.179 3.142 10 10 DGCE C[C@H](O)c1ccc(N(C)CCOC(F)F)cc1Br 2082822411 NIBHYNJQANKVCF-QMMMGPOBSA-N 324.165 3.178 10 10 DGCE CO[C@H]1CN(c2ccc([C@@H](C)O)cc2Cl)CC(F)(F)C1 2185157687 JJSBPTZIHYYVKF-MWLCHTKSSA-N 305.752 3.254 10 10 DGCE CSc1ncc(CNCc2ccc3c(c2)CCCO3)s1 2208562783 BBRHWTBQQLSVSS-UHFFFAOYSA-N 306.456 3.480 10 10 DGCE CN(Cc1ccc(Br)cc1O)C[C@H]1C[C@@H](F)C1 2307411953 MTNHQRYAKYKIDY-WVSHTKLVSA-N 302.187 3.335 10 10 DGCE Cc1ccc(CN[C@H]2CCC[C@H]2F)c(O)c1Br 2307473617 IHAJRABFUXUOBD-MNOVXSKESA-N 302.187 3.443 10 10 DGCE Cc1ccc(CN[C@@H](C)C2CSC2)c(O)c1Br 2307566051 DFYFSFMNTZCWNJ-VIFPVBQESA-N 316.264 3.304 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)N1CCC[C@H]1Cc1ccccc1 2307982124 OZAWMFWDQPVFHE-KRWDZBQOSA-N 323.392 3.345 10 10 DGCE CCOC(=O)c1ccc(N=NN(C)CCc2ccncc2)cc1 2330149809 XKAHNIIHGJMRER-UHFFFAOYSA-N 312.373 3.432 10 10 DGCE Cc1ccc(CN(C)C(=O)[C@]23CC[C@H]2C3)c(O)c1Br 2352667525 YDCIQDHDELWDDV-NHYWBVRUSA-N 324.218 3.222 10 10 DGCE CSc1ncc(CN[C@]2(C(=O)O)CC[C@@H](C)C[C@H]2C)s1 2373829738 YBJKTPNBSMIDLV-GPCCPHFNSA-N 314.476 3.234 10 10 DGCE C[C@@H]1OCC[C@H]1N(C)c1ccc([C@@H](C)N)c(Br)c1 300519366 UGBIOUMPNMKXPW-ISTVAULSSA-N 313.239 3.082 10 10 DGCE Cc1ccc([C@H](C)N[C@H]2CCc3nnc(C(C)C)n3C2)c(O)c1 186293876 KQYRFGMAHBVWCZ-KBPBESRZSA-N 314.433 3.081 10 10 DGCE Cc1cccc(O)c1NC1=NC(=O)/C(=C/c2cccnc2)S1 39869796 SPKNVNDRALMJIT-JYRVWZFOSA-N 311.366 3.178 10 10 DGCE C[C@@H](NCc1nnc2ccccn12)c1cc2c(cc1O)CCCC2 183809052 GLPMSPOOXVFJRM-CYBMUJFWSA-N 322.412 3.165 10 10 DGCE CC[C@H](C)[C@H]1CN(c2ccc(OC(F)(F)F)cc2)CCN1 86122604 WLRSEMGRLUXSNU-SMDDNHRTSA-N 302.340 3.410 10 10 DGCE C[C@H](NC(=O)COc1ccc(N)cc1)c1ccc(Cl)cc1 40310814 DWMHAONBIXDURI-NSHDSACASA-N 304.777 3.178 10 10 DGCE Cc1cccc2c1N[C@@H](c1ccc3c(c1)CCCN3C)NC2=O 194629649 UDDZGAFDZFWBCV-GOSISDBHSA-N 307.397 3.232 10 10 DGCE CC(C)N(CCCN(C)Cc1ccccc1O)CC(F)(F)F 192767558 KVSYVNMLOZWZFV-UHFFFAOYSA-N 318.383 3.487 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)C1C[C@H](C)O[C@@H](C)C1 92602168 DHIKWBAHDJXNMO-KBPBESRZSA-N 305.418 3.334 10 10 DGCE NCc1ccc(N2CC[C@@H](OCc3ccccc3)C2)cc1F 383897089 FRSPIGWYCDDERB-QGZVFWFLSA-N 300.377 3.080 10 10 DGCE O=C(O)c1cc(Br)cnc1Sc1nccs1 50044506 UGWDWXXDNBEHEX-UHFFFAOYSA-N 317.189 3.150 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)NC1CC(c2ccccc2)C1 378546768 HTDVFBIFSBXYBE-VQHVLOKHSA-N 309.365 3.173 10 10 DGCE CCCNCc1ccc(N(C)[C@H](C)C[S@](C)=O)c(Cl)c1 398867542 AIURQRLEOTVZGT-ODXCJYRJSA-N 316.898 3.043 10 10 DGCE Cc1cc(CN2C[C@H](O)CC[C@H]2C)ccc1N1CCCCC1 817289179 UICHQFJUZGRRPL-SJLPKXTDSA-N 302.462 3.331 10 10 DGCE Cc1c(NC(=O)/C=C\c2ccc(O)c(O)c2)cccc1N(C)C 588407263 MTZPABWYSYVXFB-NTMALXAHSA-N 312.369 3.124 10 10 DGCE CO[C@@]1(CN[C@@H](C)c2cc(Cl)ccc2O)CCSC1 903314187 IJSSBCIRRKEVEN-IINYFYTJSA-N 301.839 3.218 10 10 DGCE C[C@H](NC(=O)NC1(C2(C)CC2)CC1)c1ccc(N(C)C)cc1 838559152 KREYHGRXYUQMCT-ZDUSSCGKSA-N 301.434 3.446 10 10 DGCE Cc1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)cs1 671751443 YUAYEXOGADXPAM-UHFFFAOYSA-N 302.399 3.162 10 10 DGCE CN(Cc1ccccc1O)C(=O)NCC[C@]1(C)C[C@@]1(F)Cl 845411361 ANVCQHSOPYGSKQ-CABCVRRESA-N 314.788 3.238 10 10 DGCE COc1ccc(CN[C@H](C(C)C)C2(CO)CC=CC2)cc1C 843433327 XXJFTDFZTAFKGX-GOSISDBHSA-N 303.446 3.447 10 10 DGCE CC(C)(C)OC(=O)NC[C@H]1[C@@H](COc2ccc(N)cc2)C1(C)C 1952892648 FTOCOZGUOLISEK-LSDHHAIUSA-N 320.433 3.445 10 10 DGCE O=C(C[C@@]12CCCC[C@@H]1C2(F)F)NCc1c(O)cccc1F 928710110 GWHPHDAMGWHXEY-ZFWWWQNUSA-N 313.319 3.363 10 10 DGCE C[C@H](NCC1(CC(N)=O)CCCCC1)c1ccc(N(C)C)cc1 850572862 HDKNMGRVAQBVGC-HNNXBMFYSA-N 317.477 3.229 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](F)C[C@@H]1c1c(N)cccc1O 1953074479 XTHUZPARDCJBGM-CMPLNLGQSA-N 310.369 3.385 10 10 DGCE Oc1cc2c(cc1CNCC1(C(F)(F)F)CCCC1)OCO2 858307984 PFPUOPRZZIJTTL-UHFFFAOYSA-N 317.307 3.333 10 10 DGCE COc1ccc(O)c([C@H](C)NC[C@H]2c3ccccc3CN2C)c1 866564361 SYDVHRXLTBABPE-UGSOOPFHSA-N 312.413 3.238 10 10 DGCE CC(C)CCO[C@H](C)C(=O)NCc1ccc2cccnc2c1O 862028101 PRQGJPAQAABGBA-CYBMUJFWSA-N 316.401 3.008 10 10 DGCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H]2C[C@@H]3C[C@@H]3C2)c1 862044721 NOWOMZKZVRCLRV-ALXJQNPVSA-N 322.408 3.435 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)Cc1cnc(C)o1 879888436 KRVHFFGCUNGPLS-UHFFFAOYSA-N 302.374 3.060 10 10 DGCE CC[C@H](N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)c1cc(Cl)ccc1O 775527766 UMXVATQIYICFHB-MMMKDXCPSA-N 322.836 3.096 10 10 DGCE CO[C@H](C)CNC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C 785842634 CNNLWJPIPKGPOS-OAHLLOKOSA-N 314.429 3.476 10 10 DGCE COc1cccc(CNCCOc2cc(C)cc(C)c2)c1O 76272143 SHXAHIKJAPQCRC-UHFFFAOYSA-N 301.386 3.186 10 10 DGCE CN1CCc2cc(CNCCCOCc3ccccc3)ccc21 390052575 JSSIYLQBKYZUEY-UHFFFAOYSA-N 310.441 3.375 10 10 DGCE COc1cc(C)cc(CN2CCCC[C@H]2c2ccnn2C)c1O 799148610 DFUAEMFNIQIZJN-INIZCTEOSA-N 315.417 3.170 10 10 DGCE COc1ccc(O)c(CNC(=O)Cc2ccc(Cl)c(F)c2)c1 790712751 LSMJUQDYYAIORY-UHFFFAOYSA-N 323.751 3.052 10 10 DGCE C[C@H]1CCCCN1C1=NC(=O)/C(=C/c2ccc(O)cc2)S1 1084373887 MVFWIZLYVFVKGD-HKLRHMNMSA-N 302.399 3.237 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)NC[C@]2(C)CC2(C)C)c1 1313225216 PCWNHKNVQVYOEZ-GTNSWQLSSA-N 306.406 3.197 10 10 DGCE CCOc1ccc(N(CCO[C@H]2CCOC2)CC2CC2)cc1 1175371979 PRFJLZWHOILUNK-SFHVURJKSA-N 305.418 3.107 10 10 DGCE Cc1cc(-c2nnc([C@H]3CCCO3)o2)c(C)n1-c1ccccn1 1327949741 QTRQEWKKJASCDW-CQSZACIVSA-N 310.357 3.391 10 10 DGCE CCOC(=O)CN(Cc1ccccc1O)C[C@@H]1CC[C@H]2C[C@@H]2C1 1473572452 TXPCJJGGAHTCSG-VYDXJSESSA-N 317.429 3.194 10 10 DGCE C[C@H](NC(=O)NCCc1ccc(F)c(F)c1)c1ccccc1O 1478445368 BGBQRMHNJSKALM-NSHDSACASA-N 320.339 3.273 10 10 DGCE CCNc1ccc(C)cc1C(=O)NCc1c(O)cccc1F 1558455091 NQQARQUIMKEKBJ-UHFFFAOYSA-N 302.349 3.202 10 10 DGCE CCc1nnc(N(CC)CC)n1Cc1ccc(N(C)C)cc1C 1498753866 TXRJWKANKREJNG-UHFFFAOYSA-N 315.465 3.109 10 10 DGCE C[C@H](NC(=O)c1ccc(C(F)(F)F)nc1)c1ccccc1O 1632250139 LGRRROSIUTWJBU-VIFPVBQESA-N 310.275 3.297 10 10 DGCE C[C@@H](NC(=O)NCc1cccc(F)c1F)c1ccccc1O 1565153538 PYHDSZIOAGOJND-SNVBAGLBSA-N 306.312 3.231 10 10 DGCE c1cc(N2CCCC2)ccc1CN[C@H]1CCO[C@@H](C2CC2)C1 1650919131 QZPDESGLUXIVPN-PKOBYXMFSA-N 300.446 3.334 10 10 DGCE COCCC1(C(=O)NCc2c(O)ccc3ccccc23)CCC1 1652708572 IGTJTEUOAYKYEI-UHFFFAOYSA-N 313.397 3.368 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCCCN(c2ccc(N)cc2)C1 1959563242 YRLIRZVHAPZFAR-CQSZACIVSA-N 305.422 3.152 10 10 DGCE COCCNCc1ccc(N(C)[C@H](C)CCSC)c(F)c1 161675498 JGBUHXRCUIEIEV-CYBMUJFWSA-N 314.470 3.140 10 10 DGCE Cc1ccc(CNCc2ccc(Br)c(C)n2)c(O)c1 2139770928 QGRGFTVFKOJUEY-UHFFFAOYSA-N 321.218 3.456 10 10 DGCE C[C@@H]1[C@@H](C[C@@H](N)c2ccccc2O)CCN1C(=O)OC(C)(C)C 1938763275 SCUTUCLROOMCKV-UMVBOHGHSA-N 320.433 3.428 10 10 DGCE CC[C@H](NCc1cccnn1)c1cc(Br)ccc1O 234040360 AENGDUQSEFINBM-ZDUSSCGKSA-N 322.206 3.186 10 10 DGCE CC1(NC(=O)OC(C)(C)C)CC(NCc2ccc(F)cc2O)C1 1962985572 XKUSLLJZKAZEEC-UHFFFAOYSA-N 324.396 3.067 10 10 DGCE Cc1cc(Br)ncc1CN(C)c1ccc(CN)cc1 1972629905 FJCHQZSDNGSMKN-UHFFFAOYSA-N 320.234 3.248 10 10 DGCE C[C@H]1CCN(Cc2ccc(N)cc2)CCN1C(=O)OC(C)(C)C 1977924916 IASYSYOOFPHKPX-AWEZNQCLSA-N 319.449 3.100 10 10 DGCE CC(C)(C)OC(=O)Nc1ccccc1C(=O)N1CC(N=[N+]=[N-])C1 1985104908 MQLKUWAANOEFJZ-UHFFFAOYSA-N 317.349 3.168 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(N)cc2)[C@H]1C1CC1 1991052365 DRBOVXQUQHLXCR-JKSUJKDBSA-N 317.433 3.469 10 10 DGCE CN1CCc2cc([C@H](O)C(=O)c3cscc3Cl)ccc21 2147115620 KBWIKOKCMLMWKT-AWEZNQCLSA-N 307.802 3.310 10 10 DGCE CCOC(=O)[C@](C)(CCCSc1nccs1)NC1CC1 45596222 YWPAAYLLJLWFEY-AWEZNQCLSA-N 314.476 3.089 10 10 DGCE CN(c1ccc2c(c1)CC[C@H]2N)[C@@H]1CCN(Cc2ccccc2)C1 2012699735 GQORNYZIYISHHR-TZIWHRDSSA-N 321.468 3.343 10 10 DGCE CS[C@H]1C[C@H](CNCc2c(O)cccc2Br)C1 2016150662 WWLXLFBHDQCSPJ-MGCOHNPYSA-N 316.264 3.386 10 10 DGCE NCc1ccc(N2C[C@H]3CCC[C@H]2C3)c(F)c1Br 2029150509 WPNWACQNTQFXRK-ONGXEEELSA-N 313.214 3.426 10 10 DGCE OCc1ccc(N2CC[C@H]3[C@H](C2)C3(F)F)cc1Br 2034636396 OKLXJKFEVNAZHA-QWRGUYRKSA-N 318.161 3.033 10 10 DGCE CCNCc1ccc(N2C[C@H]3CC[C@H]3C2)cc1Br 688323566 VRKJTYRHCSOXHM-BETUJISGSA-N 309.251 3.405 10 10 DGCE CN(C)[C@H]1CCC[C@H](Nc2c(N)cccc2Br)C1 715492568 VNVVAUSTZWRXAR-QWRGUYRKSA-N 312.255 3.316 10 10 DGCE C[C@@H](c1cc([N+](=O)[O-])ccc1O)n1ncc(C2CCCC2)c1N 2070216563 BIXQDZQRGQGGFX-JTQLQIEISA-N 316.361 3.346 10 10 DGCE Cc1nn(C)c(CN(C)c2ccc(CN)c(Cl)c2)c1Cl 2240979921 CYGLBHSXYLZNFU-UHFFFAOYSA-N 313.232 3.130 10 10 DGCE CC1=NN(c2cccc(C(=O)O)c2)C(=O)C1=Cc1ccccc1 2297505649 YCGQIPPWYSKZGC-UHFFFAOYSA-N 306.321 3.191 10 10 DGCE CCS[C@@H]1CCCC[C@H]1NC(=O)C=Cc1ccc(O)c(O)c1 2307989982 RMWRRTTUYUTRDN-CZUORRHYSA-N 321.442 3.292 10 10 DGCE Cc1ccc(CN2C[C@H](C)OC[C@H]2C)c(O)c1Br 2327579472 ZVWQOWSUPQAUHP-MNOVXSKESA-N 314.223 3.072 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NC(=O)c1cc(Cl)cc(Cl)n1 2335532046 BBBHQKGVHRBMOW-JGVFFNPUSA-N 300.149 3.350 10 10 DGCE CCC(C)(C)[C@@](C)(NCc1cnc(SC)s1)C(=O)O 2349507458 GUNGFJXCMDPWEG-ZDUSSCGKSA-N 302.465 3.234 10 10 DGCE Cc1ccc(CN(C)CCn2cccc2)c(O)c1Br 2352666200 SGEPBXCRKIYTSW-UHFFFAOYSA-N 323.234 3.397 10 10 DGCE Cc1ccc(O)c([C@@H](C)NCCOc2ccc3c(c2)OCO3)c1 185110867 KOQPUSIUGIHIQI-CYBMUJFWSA-N 315.369 3.159 10 10 DGCE C[C@@H]1CCN(C(=O)c2cccc(O)c2O)[C@@H]1c1cccc(F)c1 185784969 CAAUELNAGVXHRO-BZNIZROVSA-N 315.344 3.460 10 10 DGCE COc1ccc(O)c(CN[C@@H](C)c2ccc(NC(C)=O)cc2)c1 182138087 YMJXPTFSHDYQKP-LBPRGKRZSA-N 314.385 3.210 10 10 DGCE CCOC(=O)[C@](C)(NCCCN=[N+]=[N-])c1ccccc1Cl 90260001 YWWHNMRXAGUVGS-CQSZACIVSA-N 310.785 3.408 10 10 DGCE CCOc1cccc(CN[C@@]2(C)CCCC[C@@H]2C(=O)OC)c1O 272370592 BNWFXNZRIGWSIQ-KDOFPFPSSA-N 321.417 3.002 10 10 DGCE CCc1nsc(NCc2cc(Br)ccc2O)n1 804826609 BTNCPJSILRPXAE-UHFFFAOYSA-N 314.208 3.181 10 10 DGCE CO[C@H](COC(=O)c1cc(C)n(-c2ccccn2)c1C)C1CC1 816382801 YVLJHMVEPCEWDX-MRXNPFEDSA-N 314.385 3.071 10 10 DGCE Cc1cc(CN2CC[C@@H](C(=O)OC(C)(C)C)C2)ccc1N(C)C 815059634 YROVPNPACIJMHZ-MRXNPFEDSA-N 318.461 3.225 10 10 DGCE CC(C)(C)C1CC(NCc2ccc(N3CCOCC3)cc2)C1 815147639 UHRVHNCLEKIYAP-UHFFFAOYSA-N 302.462 3.438 10 10 DGCE COC1(C(F)(F)F)CN(c2ccc([C@H](C)O)cc2Cl)C1 724176649 QPVQDDOBKNUJNG-QMMMGPOBSA-N 309.715 3.161 10 10 DGCE Cn1cc(C[C@@H]2CCC[C@@H]2NCc2cccc(Cl)c2O)cn1 827322053 STIHDXIJTCFBJL-BBRMVZONSA-N 319.836 3.280 10 10 DGCE Cc1cc(O)c(CNCCc2cnc(C3CC3)nc2)cc1Cl 825390364 FGEUMQOJPRGRKX-UHFFFAOYSA-N 317.820 3.354 10 10 DGCE C[C@@H](NC(=O)[C@@H]1CCC1(C)C)c1ccc(N2CCOCC2)cc1 823835343 XRYVEXDHYIICTC-PBHICJAKSA-N 316.445 3.137 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c(Cl)n[nH]c1C 900400349 MMEDYRLVGJTLMH-UHFFFAOYSA-N 320.824 3.100 10 10 DGCE CCCN(CCC)c1ccc([C@@H]2NC(=O)CN2CC(C)C)cc1 917505720 DDDZCISBQZUCPE-LJQANCHMSA-N 317.477 3.399 10 10 DGCE CN1CC[C@@H]2[C@H](CCCN2C/C=C\c2ccc(N(C)C)cc2)C1 835052954 IVBVXDIXBKQSPH-FTKDCLMVSA-N 313.489 3.182 10 10 DGCE Cc1cc(O)c(CNCCc2c(C)nn(C)c2C)c(Cl)c1 840875599 OVRMVGBDXWGAKZ-UHFFFAOYSA-N 307.825 3.037 10 10 DGCE CCN(CC)C(=O)[C@@H]1CCCN1Cc1c(O)cc(C)cc1Cl 840912463 OLZYTMDIUQXMKE-HNNXBMFYSA-N 324.852 3.187 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)NC[C@H]1CCCC12CC2 859012578 SFECJBZRLDWDFV-GFCCVEGCSA-N 308.809 3.425 10 10 DGCE CC[C@H](N[C@@H]1C[C@H](C)n2ncnc21)c1cccc(Cl)c1O 850498829 DQCRJYSSLHXFCY-TVYUQYBPSA-N 306.797 3.384 10 10 DGCE CC[C@H](NCC[C@H](N(C)C)C(F)(F)F)c1ccc(F)cc1O 926963145 MNXFMVFQRRQRKP-JSGCOSHPSA-N 322.346 3.455 10 10 DGCE CC[C@H](C)[C@H](C)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 852007331 ADJNSGRLCKZIFG-SOUVJXGZSA-N 319.449 3.008 10 10 DGCE Cc1cc(C)c([C@@H](C)NCc2nc3c(s2)COCC3)c(O)c1 927116758 IUKLORRUXWIBNV-GFCCVEGCSA-N 318.442 3.389 10 10 DGCE O=C(NCc1c(O)cccc1F)[C@@H]1C[C@]12CCc1ccccc12 928706751 ZBZVPHFTSVSHQF-KXBFYZLASA-N 311.356 3.052 10 10 DGCE CCNc1nccnc1N1CC=C(c2ccc(Cl)nc2)CC1 853467911 KOFACWBMLHXDQY-UHFFFAOYSA-N 315.808 3.251 10 10 DGCE Cn1c(CSc2ncc(Cl)s2)nnc1C1CCC1 850000411 TZQPEYUSOUKUFM-UHFFFAOYSA-N 300.840 3.485 10 10 DGCE Nc1ccc(CNC(=O)[C@@H]2[C@H]3Cc4c(Cl)cccc4[C@H]32)cc1 859594046 OIIZKRBMPRNIMK-USXIJHARSA-N 312.800 3.124 10 10 DGCE C[C@@H](NC(=O)N[C@@H](C1CC1)[C@H]1CCCCO1)c1ccccc1O 868750273 ITHYMCUNPZZAPO-JLZZUVOBSA-N 318.417 3.100 10 10 DGCE Oc1cc2c(cc1CN1C[C@@H]3[C@@H](C[C@H]3c3ccccc3)C1)OCO2 862528571 AKURRYXYASRUJF-BHYGNILZSA-N 323.392 3.356 10 10 DGCE COc1ccc(O)c(CN[C@]2(CO)C[C@@H](C)CC(C)(C)C2)c1 777484118 JPSKMQIHEJJXAQ-SCLBCKFNSA-N 307.434 3.068 10 10 DGCE CC(C)[C@H]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 770307405 RYRWDNHEUQBCTC-INIZCTEOSA-N 306.425 3.140 10 10 DGCE CC(C)OC(=O)[C@@H]1CCCN1Cc1ccc(N2CCCC2)cc1 1116445508 PARYWAJAULSBJK-SFHVURJKSA-N 316.445 3.203 10 10 DGCE COc1ncccc1NCc1cc(C)cc(Br)c1O 781634860 BLBSRALBIVLGIU-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE COc1cnc(NC(=O)c2cc3cc(O)c(O)cc3s2)s1 1140590731 KQUPIUJQCQTWOF-UHFFFAOYSA-N 322.367 3.030 10 10 DGCE CCNc1cccnc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 1154669304 WNCAFWRLRAWREJ-ZDUSSCGKSA-N 312.417 3.070 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC(C)(C)C1CC1 1312885943 RCTHJDRDBLQYRK-CQSZACIVSA-N 317.477 3.480 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)[C@@H]1CC[C@H]2[C@H](C1)C2(F)F 1328482741 QVMGAAXULBNMTG-ZHAHWJHGSA-N 315.747 3.343 10 10 DGCE CCNCc1ccc(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@@H]32)cc1Br 2117424266 PEYAKVYJWZNKCK-PCBIJLKTSA-N 321.262 3.403 10 10 DGCE CCOc1ccc(N(CCO[C@@H]2CCOC2)CC2CC2)cc1 1175371978 PRFJLZWHOILUNK-GOSISDBHSA-N 305.418 3.107 10 10 DGCE CN[C@H](C)c1ccc(N(Cc2ccccc2)C[C@@H](C)O)cc1O 1914606734 BMCFSORYNBQATN-HUUCEWRRSA-N 314.429 3.060 10 10 DGCE O=[N+]([O-])c1ccc(NCc2c(O)cccc2O)c2ncccc12 1458645886 SYCCLGSWAYRPLV-UHFFFAOYSA-N 311.297 3.166 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)[C@H]2C[C@]2(C)C(C)C)cc1 1531374425 CCCWVSDRUQWYMB-IEBWSBKVSA-N 318.461 3.272 10 10 DGCE C[C@@H]1CCO[C@@H]1CCNCc1c(O)cccc1Br 1918129427 VCARSAYGMFQHFS-QMTHXVAHSA-N 314.223 3.059 10 10 DGCE Cc1coc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)c1 1536549163 BSTXANFPRJOHEE-CQSZACIVSA-N 300.402 3.323 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)[C@H]2CCCC[C@@H]2C)cc1 1616534013 MLLUCJNQMDQFDT-YJBOKZPZSA-N 318.461 3.416 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)NCC[C@H](O)C1CC1 1558748200 HHSSDHWPFWMHBA-HNNXBMFYSA-N 318.442 3.046 10 10 DGCE COc1ccc(CN[C@H](CNC(=O)C=C(C)C)C(C)C)cc1C 1715489743 YZFIMISXLFTLMZ-QGZVFWFLSA-N 318.461 3.200 10 10 DGCE O=C(NCc1c(O)cccc1F)c1ccc2ncsc2c1 1638858016 CZTRXWARWUHFGW-UHFFFAOYSA-N 302.330 3.071 10 10 DGCE COc1ccc(CNC[C@H](NC(=O)C(C)C)C(C)(C)C)cc1C 1571619283 NVXPEPOBWILTMK-KRWDZBQOSA-N 320.477 3.280 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)[C@@H]1C[C@H]1C(F)(F)F 1645440579 JXCYRWUFLRJLQN-DGCLKSJQSA-N 309.287 3.360 10 10 DGCE CC[C@H](C[C@H](NC)c1ccccc1O)NC(=O)OC(C)(C)C 1928473626 CZHFOTSQGSIYKQ-OCCSQVGLSA-N 308.422 3.346 10 10 DGCE O=C(Nc1cccc(CO)c1)c1cc2cc(O)c(O)cc2s1 1586918634 JGDVMOCQHNLVCC-UHFFFAOYSA-N 315.350 3.057 10 10 DGCE Cc1cccc(-n2c(C)cc(CNC(=O)N3CC(F)C3)c2C)c1 1675108569 OXQVRQGMXXEUET-UHFFFAOYSA-N 315.392 3.266 10 10 DGCE CC(C)(C)OC(=O)N1CCCC[C@H](Nc2ccc(N)cc2)C1 1959377444 OFMXZFMTDDKYFA-HNNXBMFYSA-N 305.422 3.470 10 10 DGCE CC1CCN(c2ccc(CNC(=O)[C@H]3CC[C@H](C)O3)cc2)CC1 153426438 CKTNUNCRVHVDBF-MAUKXSAKSA-N 316.445 3.107 10 10 DGCE CCN(C)c1ccc([C@@H](C)NCc2cccnc2N(C)C)cc1 154738054 MBTYMELQLIBJQP-OAHLLOKOSA-N 312.461 3.455 10 10 DGCE Cc1cccc(O)c1NC1=NC(=O)/C(=C\c2ccccn2)S1 208333074 XCYWOZXGVHHWKD-UKTHLTGXSA-N 311.366 3.178 10 10 DGCE Nc1ccc(Cc2ccc(NC(=O)CC[C@@H]3CCCN3)cc2)cc1 1866257853 DSJHMAVFEJAKBK-SFHVURJKSA-N 323.440 3.330 10 10 DGCE CCCCCOC(=O)CNCc1ccc(N(CC)CC)cc1 1857872107 WSPSFIOIIWKWRO-UHFFFAOYSA-N 306.450 3.356 10 10 DGCE Cc1ccc(O)c(CNCCC[C@@H](C)NC(=O)OC(C)(C)C)c1 1971942667 XDDKONTUCBPVFD-CQSZACIVSA-N 322.449 3.484 10 10 DGCE CC(C)(C)OC(=O)NCCC1([C@@H](N)c2ccccc2O)CCC1 1976861117 RISLVJYXSWOPDY-HNNXBMFYSA-N 320.433 3.477 10 10 DGCE C[C@@H](c1cc(F)ccc1O)N(CCCN)Cc1ccccc1 309799475 SAHFDIJAMZWEFW-AWEZNQCLSA-N 302.393 3.443 10 10 DGCE NCc1ccc(N2Cc3ccc(Br)cc3C2)cc1 707997890 VYVOSGXXLLXNEY-UHFFFAOYSA-N 303.203 3.428 10 10 DGCE Cc1cc(N2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)ccc1CN 687237900 NIIOMNNHZJWAIB-OYRHEFFESA-N 321.468 3.307 10 10 DGCE CCc1cc(C(=O)OC(C)(C)C)n(Cc2cccc(F)c2O)n1 2070013024 RQUPSQHBALUEJA-UHFFFAOYSA-N 320.364 3.294 10 10 DGCE CCc1nn(Cc2ccc(OC)cc2O)c(N)c1C1CCC1 2079644121 FSPCQUZGOKGTMN-UHFFFAOYSA-N 301.390 3.058 10 10 DGCE CSCC1(C)CN(c2ccc(CO)c(C(F)(F)F)c2)C1 2182729986 ALQSMDQFBFOSIM-UHFFFAOYSA-N 305.365 3.387 10 10 DGCE C[C@H](N)c1cc(F)c(N2CC=C(Br)CC2)c(F)c1 2074208402 LZNXIHVJXBHCJF-QMMMGPOBSA-N 317.177 3.473 10 10 DGCE Nc1ccc(CC(=O)OCc2snc(Cl)c2Cl)cc1 2110933082 RQKVBXKYWNERAE-UHFFFAOYSA-N 317.197 3.318 10 10 DGCE CCCN[C@@](CSc1nccs1)(C[C@@H](C)CC)C(=O)O 2207914586 IKRJIVWFAWCOJU-SMDDNHRTSA-N 316.492 3.494 10 10 DGCE COc1ccc(N2CCC(C)=C(Br)C2)c(CN)c1 2220413784 GMNQGJFAEPTACD-UHFFFAOYSA-N 311.223 3.033 10 10 DGCE CC(C)CN1C(=O)C(=CNc2cccc(O)c2)SC1=S 2297512740 MUIWAPYOSOYQGK-UHFFFAOYSA-N 308.428 3.162 10 10 DGCE CCN(CC)c1ccc(C=C2N=C(c3cccnc3)OC2=O)cc1 2300338762 DHTVUAVRDVJVCO-UHFFFAOYSA-N 321.380 3.272 10 10 DGCE CCOc1ccc(C=CC(=O)Nc2ccc(N)cc2)cc1OC 2320466776 QVXHEFQPPGRHTE-UHFFFAOYSA-N 312.369 3.328 10 10 DGCE Cc1ccc(CN(C)C(=O)[C@H]2C[C@H]2C)c(O)c1Br 2327610267 SZJPQQUJZCLSHJ-KOLCDFICSA-N 312.207 3.078 10 10 DGCE CN1CCC(N(C)N=Nc2ccccc2Br)CC1 2330181813 GYIUSHNBULEHCB-UHFFFAOYSA-N 311.227 3.474 10 10 DGCE COc1cc(C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])sc1Cl 2340285625 KBMQWKFECPSCGT-RNFRBKRXSA-N 300.771 3.371 10 10 DGCE Oc1ccc([C@@H]2NCCc3c2[nH]c2ccc(Cl)cc32)cc1O 21658070 MKMIYFNXTRAQHZ-INIZCTEOSA-N 314.772 3.468 10 10 DGCE COCCNCc1ccc(N(C)Cc2ccsc2)cc1C 62735751 SBQNFYBHRRYIJZ-UHFFFAOYSA-N 304.459 3.429 10 10 DGCE CN(Cc1snnc1C1CC1)c1ccc(CN)c(Cl)c1 2360858722 NDRIDAHMRUIFAY-UHFFFAOYSA-N 308.838 3.164 10 10 DGCE CSCCCCNCc1cccc(Br)c1O 124929446 YXUPWYQDBZVIMM-UHFFFAOYSA-N 304.253 3.388 10 10 DGCE CC(C)(C)NCc1ccc(N2CC[C@@H](CCO)C2)c(Cl)c1 123800769 NAQZIOLPFLHTBM-ZDUSSCGKSA-N 310.869 3.437 10 10 DGCE CC(C)C[C@H](CN[C@H](C)c1ccc(F)c(F)c1O)N(C)C 191197242 MZYGBLAHOHEFHJ-VXGBXAGGSA-N 300.393 3.297 10 10 DGCE COc1cc(Cl)c(N(CCCO)C(C)(C)C)c(OC)c1 2368271295 NNGAAOUQFLGOHB-UHFFFAOYSA-N 301.814 3.345 10 10 DGCE CO[C@]1(C)CCN([C@H](C)c2cc(Br)ccc2O)C1 381134517 ADIWXXVIBAYZMM-QMTHXVAHSA-N 314.223 3.327 10 10 DGCE Cc1ccc([C@H](C)NCCCCN2C[C@H](C)O[C@@H](C)C2)c(O)c1 248523003 SFFWNLMLNYQFHO-ULQDDVLXSA-N 320.477 3.241 10 10 DGCE C[C@@]1(c2ccccc2)CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 367930587 LFWUQIQBORVYMI-CSNYQSHPSA-N 323.392 3.301 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)c1nc(Cl)cs1 279056081 YMEYGFAPTAECAM-UHFFFAOYSA-N 309.822 3.135 10 10 DGCE CCc1noc(C)c1CN[C@H](C)c1cc([N+](=O)[O-])ccc1O 293676013 JZEVFNNRLDZIDI-SECBINFHSA-N 305.334 3.010 10 10 DGCE NC1(c2ccc(N3CCCCC3)cc2)CCC2(CC1)OCCO2 2163123444 LIQWMGXRGLYQDN-UHFFFAOYSA-N 316.445 3.148 10 10 DGCE C[C@H]1CC[C@@H]1NC(=O)N(Cc1ccco1)Cc1ccccc1O 807557326 XYCSQLYAFFDRBS-BBRMVZONSA-N 314.385 3.496 10 10 DGCE Cc1nc(CN)ccc1[C@@H](C)NCc1ccc2c(c1)CCCN2C 817899569 HCANJJJCZGLFSH-CQSZACIVSA-N 324.472 3.082 10 10 DGCE CCC[C@H](N)[C@H](N)c1ccc(OCc2ccccc2)cc1O 713737999 FSBTUYWHRBUBMP-FUHWJXTLSA-N 300.402 3.098 10 10 DGCE C[C@@H]1CN(Cc2cc(F)ccc2O)C[C@H](CC(F)(F)F)O1 827787115 MIOJUKQUNMDJQU-SKDRFNHKSA-N 307.287 3.073 10 10 DGCE C[C@H](CNC(=O)NCCCSc1nccs1)CC(F)F 826692457 HXRYNDNBSNQDOY-VIFPVBQESA-N 323.434 3.216 10 10 DGCE C[C@@]1(c2cccc(F)c2)CCN(C(=O)c2cccc(O)c2O)C1 846317042 GHPGIGMMFPWBSY-GOSISDBHSA-N 315.344 3.041 10 10 DGCE CCNCc1ccc(OC)c(CSc2nc(C)ns2)c1 131297899 ODFIGXKVMVENHC-UHFFFAOYSA-N 309.460 3.257 10 10 DGCE COc1cccc([C@@H](C)NC[C@@H]2CCN2C2CCCC2)c1O 858531723 JLUUDQDWUBRQFY-HIFRSBDPSA-N 304.434 3.068 10 10 DGCE COc1ccc(N2CC[C@H](NC3CCC(F)(F)CC3)C2)cc1 850346049 BOWJDALIFKNFCK-AWEZNQCLSA-N 310.388 3.441 10 10 DGCE CC[C@@H](N[C@@H]1C[C@]1(C)OC)c1cc(Br)ccc1O 694442285 LKLKOIQSYQXDAP-BNOWGMLFSA-N 314.223 3.373 10 10 DGCE CN(C)c1ccc(CNC[C@H]2CC[C@@H](C(F)(F)F)O2)cc1F 922458522 QNYMICSREFTABS-RISCZKNCSA-N 320.330 3.091 10 10 DGCE CC(C)(C)OC(=O)N[C@@H](c1cccc(N)c1O)C(F)(F)F 1953048872 IAXVGKXBPKYEPJ-JTQLQIEISA-N 306.284 3.103 10 10 DGCE O=C(c1cc(O)cs1)N1CC2(CCC2)[C@H]1c1ccncc1 856495831 STJIVKRUXXMFKE-CQSZACIVSA-N 300.383 3.216 10 10 DGCE CCOCc1cc(CNC[C@H]2CCC[C@@H](C)O2)ccc1OC 850379688 VLHGFFDOUOHJOH-RHSMWYFYSA-N 307.434 3.279 10 10 DGCE C[C@@H](NCC12CC(CN1)C2)c1cc(Cl)c(Cl)cc1O 854228447 WIMLJZYQJBTQRM-NQTXRORDSA-N 301.217 3.102 10 10 DGCE CC1(C)CCC(C)(NC(=O)NCCc2ccc(N)cc2)CC1 861641885 XZYVGTSUFRIEMO-UHFFFAOYSA-N 303.450 3.469 10 10 DGCE Cc1cc(C(=O)OC[C@@H]2CCSC2)c(C)n1-c1ccccn1 762149550 OZDBFICGSHUJCM-AWEZNQCLSA-N 316.426 3.399 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CCOC[C@@H]1C 762707597 TXDKRCVFGHRAQF-SMDDNHRTSA-N 318.442 3.310 10 10 DGCE C[C@H](NC(=O)c1ccc2c(c1)[C@H](CN)CCC2)c1ccccc1O 870988401 OQRXMJWEWALXLT-BBRMVZONSA-N 324.424 3.262 10 10 DGCE O=C(CCCn1cnc2ccccc21)N1Cc2cccc(O)c2C1 871201707 YYLCQTVBQCKUGR-UHFFFAOYSA-N 321.380 3.065 10 10 DGCE Cc1cc(Cl)cc(CNc2ccc3c(c2)oc(=O)n3C)c1O 777497117 UPJKPRYDKVCWJO-UHFFFAOYSA-N 318.760 3.411 10 10 DGCE COc1cccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1F 773011090 VYUNAXHMZWWWCB-GFCCVEGCSA-N 316.376 3.391 10 10 DGCE Cc1cccc2ncc(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)n12 1138363734 RCZWDICWQMYSLM-CQSZACIVSA-N 322.412 3.200 10 10 DGCE C[C@H](N)c1ccc(N2CCC[C@@H](F)C2)c(Br)c1 689389523 VUXVFSMMHNJECI-GXSJLCMTSA-N 301.203 3.407 10 10 DGCE C[C@@H](CNCc1cc(Br)ccc1O)c1ccccn1 692675433 RMMBGMNEAPDQEF-NSHDSACASA-N 321.218 3.443 10 10 DGCE CC(C)COc1ccccc1C(=O)NCc1c(O)cccc1O 1178910357 CYNFGNZEZOMNRH-UHFFFAOYSA-N 315.369 3.063 10 10 DGCE CC[C@@H]1CC[C@@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)O1 1352614316 AGNBSQMZRNAVER-MSOLQXFVSA-N 316.445 3.203 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)NCc2cc(F)ccc2F)cc1 1443734886 ZCQQLGSJZUPLNA-UHFFFAOYSA-N 318.283 3.057 10 10 DGCE CCN[C@H](c1ccccc1O)[C@H]1C[C@H](C)N1C(=O)OC(C)(C)C 1913596152 PYOZVKCMFGHKGB-JGGQBBKZSA-N 320.433 3.441 10 10 DGCE O=C(NCCc1ccc2[nH]ccc2c1)N1Cc2cccc(O)c2C1 1478507768 GTIPSTAHZPRWJG-UHFFFAOYSA-N 321.380 3.141 10 10 DGCE CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C 1625240823 SMNXQFWQUXNLED-JCGIZDLHSA-N 318.461 3.161 10 10 DGCE C[C@@H](Oc1ccccc1)C(=O)NCc1cc(Cl)ccc1O 1557386523 VUUQSQNAGFHOQW-LLVKDONJSA-N 305.761 3.129 10 10 DGCE CC(C)Oc1ncc(Cl)cc1NC(=O)c1cccc(O)c1O 1627416783 BWFAYKVJSOARRO-UHFFFAOYSA-N 322.748 3.186 10 10 DGCE COc1ccc(CNC[C@@H](C)NC(=O)CC2CCCC2)cc1C 1716386919 DUTMTOIGLDYJML-OAHLLOKOSA-N 318.461 3.178 10 10 DGCE Cc1cnc(NC(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)[nH]1 1629965173 ZZYHOSGMVXFIHD-UHFFFAOYSA-N 322.368 3.190 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)Nc1ccccc1OCC1CC1 1628372375 FOGQYHRXNYOMQS-UHFFFAOYSA-N 313.353 3.068 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1C[C@@H](Nc2ccc(N)cc2)C1(C)C 1959367345 OJJBJNWADUGCDZ-KGLIPLIRSA-N 305.422 3.373 10 10 DGCE COc1cc(CN2CCC[C@H](n3cc(C)cn3)C2)c(O)cc1C 160264121 ZRWXVHDJJXPZPL-INIZCTEOSA-N 315.417 3.051 10 10 DGCE Cn1ccnc1NC(=O)CCn1c2c(c3ccccc31)CCCC2 1851012753 LCVYJOONDKXQEH-UHFFFAOYSA-N 322.412 3.282 10 10 DGCE CCOC(=O)N1CCN(/N=N/c2cccc(SC)c2)CC1 1860487691 JQQYKAYORQATCT-FOCLMDBBSA-N 308.407 3.181 10 10 DGCE CCCC1=NN(CC)C(=O)/C1=C/c1ccc(OC)cc1OC 1865679051 RYGHCXRTAHMZFF-GXDHUFHOSA-N 302.374 3.105 10 10 DGCE CCN1N=C(c2ccccc2)/C(=C/c2ccc(OC)c(O)c2)C1=O 1865664537 RMSQRIBRPKLRFT-PTNGSMBKSA-N 322.364 3.051 10 10 DGCE Cc1cnc(Br)c(CN(C)Cc2ccccc2O)c1 2142039432 JOKAIPJTGAOVIP-UHFFFAOYSA-N 321.218 3.490 10 10 DGCE C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)CN1c1ccc(N)cc1 1977968366 PNZZJFJFQNAHPQ-KBPBESRZSA-N 319.449 3.398 10 10 DGCE S=c1nc(C2=S=Nc3ccccc32)[nH]cc1Br 1997467360 VYFRJULOWFDEQT-UHFFFAOYSA-N 324.228 3.382 10 10 DGCE CCOC[C@@H]1CCCCN1c1cc(Cl)c(CN)cc1F 2177376220 CEELAAKMXMHFAT-LBPRGKRZSA-N 300.805 3.333 10 10 DGCE COc1ccc(Br)c(CN(C)CC(C)C)c1O 1231548702 XQPIZBWIHWHPQJ-UHFFFAOYSA-N 302.212 3.251 10 10 DGCE CN(CC1C[C@H]2C[C@@H]2C1)c1ccc(CO)cc1Br 697845769 SPJRGPMYCQBNLE-STQMWFEESA-N 310.235 3.424 10 10 DGCE CCCN[C@]1(C(=O)O)CC[C@H](Sc2nccs2)[C@H]1CC 2179107387 SVDWCSILRMXUNV-UHIISALHSA-N 314.476 3.247 10 10 DGCE Cc1nn(Cc2cc(Cl)ccc2O)c(N)c1C(F)(F)F 2079637668 GNBLYGYSFMTGEZ-UHFFFAOYSA-N 305.687 3.200 10 10 DGCE NC[C@@]12CCC[C@@H]1CCN2Cc1cc(Cl)cc(Cl)c1O 2197337520 BKOVHVIQOQDGQY-ABAIWWIYSA-N 315.244 3.402 10 10 DGCE C[C@@H]1C[C@@H]1N(C)c1ccc(C=CC(=O)O)cc1Br 2052757054 MPDNVQOFUZECAZ-RNCFNFMXSA-N 310.191 3.392 10 10 DGCE CN(c1ccc(CO)c(Br)c1)[C@H]1C2C[C@@H]3C1[C@@H]3C2 2070845646 RZPHCLSVHTWWAA-DMQQBBRBSA-N 308.219 3.032 10 10 DGCE COc1ccc(N(C)[C@@H]2CCN(Cc3ccccc3)C2)c(C=O)c1 2214863374 YVMLIMGFKWHROC-GOSISDBHSA-N 324.424 3.218 10 10 DGCE CN(C)c1ccc(OC[C@@]2(Br)CC2(F)F)cc1 2215966977 MQBGKLGVRWSXTH-NSHDSACASA-N 306.150 3.304 10 10 DGCE CCCN[C@@H]1CCN(Cc2cnc(SC)s2)[C@@H](C)[C@H]1C 2284698106 WKIUXUUECXPHQC-MBNYWOFBSA-N 313.536 3.464 10 10 DGCE Cc1cc(O)c([C@H](C)N(C)C[C@H]2OCC[C@H]2F)cc1Cl 2286438696 JEGBOMGRXUZDRE-PSOPSSQASA-N 301.789 3.474 10 10 DGCE CN1C(=O)C(=Cc2ccc(N3CCCC3)cc2)SC1=S 2297366126 PPRAOHXHGONCEG-UHFFFAOYSA-N 304.440 3.118 10 10 DGCE CN(Cc1ccccc1O)C(=O)C=Cc1ccc(Cl)nc1 2304463416 XTJFFGZIFKFKFW-UHFFFAOYSA-N 302.761 3.112 10 10 DGCE CCN(CCN=[N+]=[N-])C(=O)Cc1cccc(Br)c1 2315986941 KWOAULDGMMAXQJ-UHFFFAOYSA-N 311.183 3.150 10 10 DGCE COC(C)(C)C1(NCc2c(O)cccc2Br)CC1 2320601496 SDFNUEIWNYQGLP-UHFFFAOYSA-N 314.223 3.202 10 10 DGCE CCCCOc1ccc(C=C2C(=O)N(C)N=C2CC)cc1OC 2332125708 GPMKHRXZXWCBJU-UHFFFAOYSA-N 316.401 3.496 10 10 DGCE Nc1cc(Cl)c(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c(Cl)c1 2353870343 ZSVITGGMBKQWED-IUCAKERBSA-N 313.184 3.255 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)N1C[C@H](C)O[C@@H](C)C1 54056248 BYSIXLMBFKLPCL-KBPBESRZSA-N 318.442 3.405 10 10 DGCE C[C@H]1CCC[C@H](S(=O)(=O)CCCOc2ccc(N)cc2)C1 54692108 FTOFGAKKLGWGQH-BBRMVZONSA-N 311.447 3.031 10 10 DGCE COC[C@@H](O)CNCc1cc(C(C)(C)C)cc(C(C)(C)C)c1O 117946349 BTLBPPJCLMHLAT-HNNXBMFYSA-N 323.477 3.084 10 10 DGCE Cc1ccccc1-n1c(C)cc(C(=O)N[C@H]2CCCOC2)c1C 170936863 BDBNMHNKEYQGAQ-INIZCTEOSA-N 312.413 3.311 10 10 DGCE C[C@@H](Nc1ccc2oc(=O)n(C)c2c1)c1ccc(N(C)C)cc1 183084937 AYVKKBIWPPJWCK-GFCCVEGCSA-N 311.385 3.371 10 10 DGCE CN(C(=O)COc1c(F)cccc1Cl)c1ccc(N)cc1 212953799 TYBXIHHJXPEZQW-UHFFFAOYSA-N 308.740 3.103 10 10 DGCE C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ccc(N)cc1 37902102 RNDKIDOTYNYPDK-SECBINFHSA-N 308.740 3.467 10 10 DGCE Cc1ccc(O)c(/N=N\c2c(CC(=O)O)nc3ccccn23)c1 71581219 RTGCRXKSOJLTLN-HNENSFHCSA-N 310.313 3.391 10 10 DGCE CSc1ncc(CN[C@@]2(C(=O)O)CC(C)(C)C[C@@H]2C)s1 2371898157 PEEKRUDUGGEWJN-XPTSAGLGSA-N 314.476 3.234 10 10 DGCE OC[C@H]1C[C@H]2CC[C@H]1N2Cc1cc(Cl)cc(Cl)c1O 290372365 AQEFWODXCMZQML-IRUJWGPZSA-N 302.201 3.044 10 10 DGCE CC(C)OC[C@H](C)NCc1cc(Br)ccc1O 809713667 WZQLWUKBXDERQN-JTQLQIEISA-N 302.212 3.058 10 10 DGCE CC[C@@H](C)N1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)CC1 387736283 QLKWDQZESNZWBB-GFCCVEGCSA-N 324.852 3.164 10 10 DGCE Cc1cc(Cl)cc(CN2C[C@H](N3CCCC3)C[C@H]2C)c1O 809704165 WEXZOJCVBYYUMK-CZUORRHYSA-N 308.853 3.413 10 10 DGCE Oc1cc(F)c(Cl)cc1CN1CCOC[C@@H]1CC(F)F 294026338 VGRHEVLQZZKIPQ-VIFPVBQESA-N 309.715 3.041 10 10 DGCE Cc1c(NNC(=S)Nc2ccc(F)cc2)cccc1[N+](=O)[O-] 727981394 LHIJOISFURWCAH-UHFFFAOYSA-N 320.349 3.356 10 10 DGCE CCOc1ccc(CNC[C@H]2CCO[C@H](C(C)C)C2)c(O)c1 824798373 DBCAGJYTHCWSRT-KSSFIOAISA-N 307.434 3.332 10 10 DGCE CCN1CCC(CCNC/C=C/c2ccc(N(C)C)cc2)CC1 835039705 IWPHTYCVGLUNOW-AATRIKPKSA-N 315.505 3.477 10 10 DGCE CN(C)c1ccc(/C=C/CNC[C@@H](CO)Cc2ccccc2)cc1 835035166 HSHMJSUDVBHHFT-ZGBFETHSSA-N 324.468 3.207 10 10 DGCE CSCCCCCCNC(=O)NCc1c(O)cccc1F 921908788 RMPGXXMNLKYXRY-UHFFFAOYSA-N 314.426 3.254 10 10 DGCE CC[C@@H](NCCOC1CCOCC1)c1cc(Cl)ccc1O 927079127 KPDUPTNDWFYDPQ-OAHLLOKOSA-N 313.825 3.282 10 10 DGCE CCN(C)c1ccc(CN2CC(=O)Nc3ccccc3C2)cc1 847043309 LTEQFZQFKGJPFO-UHFFFAOYSA-N 309.413 3.097 10 10 DGCE C[C@H](NCc1cccc2nc(O)oc12)c1ccc(N(C)C)cc1 922016153 ZLHARWCACCYZPZ-LBPRGKRZSA-N 311.385 3.450 10 10 DGCE Cc1cc(C)c([C@@H](C)NC[C@]23OCCC[C@H]2C3(F)F)c(O)c1 850532133 JZXDWGYJKFABIW-XPKDYRNWSA-N 311.372 3.474 10 10 DGCE CCc1nsc(SCc2cc(CNC)ccc2OC)n1 131264429 PGQSDTUSRZNIIG-UHFFFAOYSA-N 309.460 3.121 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)c3c(C)cccc3C)C2)cc1 855232999 DGKMIFAWFYYKPB-MRXNPFEDSA-N 324.424 3.321 10 10 DGCE C/C(=C/C(=O)N(CC1CC1)c1cccc(F)c1)c1cnccn1 869716542 BZVJSEZPQAPDOD-LCYFTJDESA-N 311.360 3.462 10 10 DGCE CCOC(=O)CCC1CCN(Cc2ccc(N(C)C)cc2)CC1 769524608 PSBZDDKQZGGCKA-UHFFFAOYSA-N 318.461 3.308 10 10 DGCE CC(C)[C@@H]1CC[C@@H]1NCc1ccc(N2CCOCC2)c(F)c1 796696544 TYMIGOURVOSYIN-RDJZCZTQSA-N 306.425 3.187 10 10 DGCE COc1cc(C)cc(CN[C@@H](C2CC2)[C@@H]2CCCCO2)c1O 895182300 CBKMWBMHDLJMDG-RDJZCZTQSA-N 305.418 3.147 10 10 DGCE C[C@@H](NCCCOCc1ccccc1)c1cc(O)ccc1O 390093165 KPEGGAWHVWCLDD-CQSZACIVSA-N 301.386 3.355 10 10 DGCE C[C@H]1CN(c2ccc([C@@H](C)N)cc2)CCN1Cc1ccccc1 396422626 DOBFGXALTSWQMT-DLBZAZTESA-N 309.457 3.417 10 10 DGCE CSC[C@@H]1CCN(c2ccc(CO)cc2Br)C1 706738774 INLKWUHABFGSBB-LLVKDONJSA-N 316.264 3.131 10 10 DGCE C[C@@H](O)c1ccc(N2CCC(F)CC2)cc1Br 689405472 MHXWHXCGDQIHTC-SECBINFHSA-N 302.187 3.441 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCCC(C)(C)O)c1 1154855709 IWAQZNTVHYYBAT-UHFFFAOYSA-N 314.429 3.293 10 10 DGCE O=C(C[C@@H]1OCc2ccccc21)NCc1cc(Cl)ccc1O 1300395909 HATKZWQDSSLXRB-INIZCTEOSA-N 317.772 3.323 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)Nc1nc2ccccc2nc1F 1307092287 XWQWZCGOZBNGOP-JTQLQIEISA-N 313.332 3.223 10 10 DGCE Oc1cc(Br)ccc1CN[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21 1462521567 QHHGYQIBANYJQZ-JTDRMQGGSA-N 308.219 3.289 10 10 DGCE [N-]=[N+]=NC[C@H]1CCN(C(=O)c2sccc2Br)C1 1912147369 XLTOBFAEBYHJNG-SSDOTTSWSA-N 315.196 3.283 10 10 DGCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCc2ccc[nH]2)c1 1444834793 KHCQQLFUAHLALI-UHFFFAOYSA-N 321.380 3.165 10 10 DGCE CCCCC[C@H](O)C(=O)NCc1ccc(N(CC)CC)c(F)c1 1627604528 LGHROOIXPMSLGH-KRWDZBQOSA-N 324.440 3.229 10 10 DGCE CCCOc1nc(C)ccc1C(=O)N[C@@H](C)c1ccccc1O 1632255512 RDXYKVURJYNWHI-ZDUSSCGKSA-N 314.385 3.375 10 10 DGCE CCN(CCNCc1ccc(OC)c(C)c1)C(=O)[C@H](C)C(C)C 1732799740 PQMOCYYJJQEPQZ-MRXNPFEDSA-N 320.477 3.234 10 10 DGCE C[C@@H](C(=O)NCc1cccc(Cl)c1O)c1cccc(O)c1 1647830421 VXHYHFZUWJBJQA-SNVBAGLBSA-N 305.761 3.171 10 10 DGCE CCn1c(Cc2ccc(N)cc2)nc2cc3c(cc21)OCCO3 19753373 RMYXQMALYFCHLC-UHFFFAOYSA-N 309.369 3.000 10 10 DGCE C[C@@H]1[C@H](C[C@@H](N)c2ccccc2O)CCN1C(=O)OC(C)(C)C 1938763276 SCUTUCLROOMCKV-VNHYZAJKSA-N 320.433 3.428 10 10 DGCE CC(C)(C)OC(=O)NC1CCC([C@H](N)c2ccccc2O)CC1 1936972411 FOQMFXBQFUYGNL-ZUEPYMLJSA-N 320.433 3.476 10 10 DGCE CC1(C)[C@@H](NCc2cccc(Br)c2O)C1(F)F 1948214744 WVOIQEMMBRYUPW-SNVBAGLBSA-N 306.150 3.288 10 10 DGCE COc1ccc(Br)c(CN[C@@H]2[C@H]3CCC[C@H]32)c1O 1972417175 WISMMOSZNVMKDV-WOFXILAISA-N 312.207 3.051 10 10 DGCE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)c1ccc(N2CCCC2)cc1 1977932919 AHTODDJMWYHBEG-BBRMVZONSA-N 320.433 3.233 10 10 DGCE CCOC(=O)CCN(C)N=Nc1cccc(Br)c1 2330185015 HANXZERYFLZQFI-UHFFFAOYSA-N 314.183 3.333 10 10 DGCE CN(Cc1cnsc1)c1ccc(CN)cc1C(F)(F)F 2150304233 YPQWFCZQMCYMDP-UHFFFAOYSA-N 301.337 3.257 10 10 DGCE COCCNCc1cnc(Sc2ccc(F)cc2F)s1 2155334915 SKMXLLKEPBKMJE-UHFFFAOYSA-N 316.398 3.309 10 10 DGCE NCc1ccc(N2CCC(CCF)CC2)c(Br)c1 2027974453 YCFNKAMMSXVCON-UHFFFAOYSA-N 315.230 3.484 10 10 DGCE CN(C[C@@H]1CC[C@H]2C[C@@H]21)c1ccc(CO)cc1Br 2040239053 FGQFOESCNWQNAG-AVGNSLFASA-N 310.235 3.424 10 10 DGCE Cn1cnc2sc(CNCc3ccc(Cl)cc3O)cc21 2175267009 QPKDRHWODNFOIY-UHFFFAOYSA-N 307.806 3.284 10 10 DGCE Nc1ccc(CCCNCc2ccn(Cc3ccccc3)n2)cc1 390017012 XESLNMZLKYSSGH-UHFFFAOYSA-N 320.440 3.236 10 10 DGCE Cc1ccc(CNC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(O)c1 877314086 QMZPPKFUJSTDEX-AWEZNQCLSA-N 320.433 3.047 10 10 DGCE COc1cccc(O)c1[C@H](C)n1nc(C)cc1Br 2070157063 NNINMASHUUXMQO-VIFPVBQESA-N 311.179 3.278 10 10 DGCE CCc1nn(Cc2cccc(F)c2O)c(Br)c1C 2079611260 CVDPQRQQEONKLM-UHFFFAOYSA-N 313.170 3.409 10 10 DGCE CN(C)c1ccc([C@](C)(N)c2ccc(Br)o2)cc1 2044708304 LTFPTOGLBGBVMU-AWEZNQCLSA-N 309.207 3.330 10 10 DGCE C[C@H](O)c1ccc(N(C)[C@]2(C)CCOC2)c(Br)c1 2055448142 JQEYRWSZWGQBNQ-IINYFYTJSA-N 314.223 3.118 10 10 DGCE CN(Cc1c(O)cccc1Br)C[C@@]1(C)CCCO1 2071881269 LXJPXPPZLHASJE-CQSZACIVSA-N 314.223 3.156 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@@](N)(c2ccccc2O)C1 2211281019 QKLNFRVXLDVTIY-VEVIJQCQSA-N 320.433 3.212 10 10 DGCE COc1ccc(N2CC[C@H](N)[C@@H](C)[C@H]2C)c(Br)c1 2221628264 VABVLXZARBANCU-CWSCBRNRSA-N 313.239 3.020 10 10 DGCE CS[C@H]1CC[C@H]1N(C)c1ccc(CO)cc1Br 2307888761 YBWOFVQZBOCRMI-OLZOCXBDSA-N 316.264 3.272 10 10 DGCE CCC1=NN(Cc2cccc(F)c2)C(=O)C1=Cc1cccn1C 2332128923 RQAYSNQTNJHPMH-UHFFFAOYSA-N 311.360 3.356 10 10 DGCE Cc1ccc(CNC(=O)[C@H]2CC=CCC2)c(O)c1Br 2352932340 LLGRACYWNPWORK-NSHDSACASA-N 324.218 3.436 10 10 DGCE O=C(c1cc(O)nc(O)c1)N(Cc1ccccc1)c1ccccc1 170223401 URSZZFJLORIXDZ-UHFFFAOYSA-N 320.348 3.340 10 10 DGCE COc1ccc(CN[C@H](C)CCNC(=O)[C@H]2CC2(C)C)cc1C 1266138056 WJCTYPVFNMOLTP-GDBMZVCRSA-N 318.461 3.034 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@@H]2CCCC[C@H]2N(C)C)cc1 1347943211 WYJDDPIKJZXMDA-JNVNVXKGSA-N 301.478 3.228 10 10 DGCE CC(=O)Nc1ccc(NCc2ccc(O)cc2O)cc1Cl 36983145 DGSAUDPYJQQMIL-UHFFFAOYSA-N 306.749 3.322 10 10 DGCE Cc1ccc2ccn(CCCOc3ccc(N)cc3)c(=O)c2c1 75253486 GNSGVMFCELEYOX-UHFFFAOYSA-N 308.381 3.361 10 10 DGCE [N-]=[N+]=N[C@H](CO)c1cc(Cl)ccc1I 1951354983 UOEXOGWPIWEFSM-MRVPVSSYSA-N 323.521 3.288 10 10 DGCE CCCn1cc(N[C@H](C)c2ccc(N3CCOCC3)cc2)cn1 182580048 UJIUZVJPBQYPRP-OAHLLOKOSA-N 314.433 3.303 10 10 DGCE CCCc1ccc(S(=O)(=O)N(C)c2ccc(N)cc2)cc1 40225491 ZBRAPXDWJLPNOE-UHFFFAOYSA-N 304.415 3.046 10 10 DGCE [N-]=[N+]=NCCCNC(=O)c1ccc(F)cc1Br 42012895 YNUJNFYJVFSUED-UHFFFAOYSA-N 301.119 3.018 10 10 DGCE COc1ccc(CNC2CC2)cc1C[S@@](=O)C1CCCC1 84049792 BYGKTAZJRMMHAD-NRFANRHFSA-N 307.459 3.139 10 10 DGCE Cc1cccc(CN[C@H]2CCCN(Cc3ccccc3)C2)c1O 378960659 QCYXVTCBQKRCPR-IBGZPJMESA-N 310.441 3.455 10 10 DGCE Cc1ccc(/C=C\S(=O)(=O)Nc2ccc(O)cc2F)cc1 222243163 LPXKLAJTHUQIKG-HJWRWDBZSA-N 307.346 3.252 10 10 DGCE Cc1ccnc(C2CCN(Cc3ccc(N(C)C)cc3)CC2)n1 371887664 IMDQRNHWSFFJTP-UHFFFAOYSA-N 310.445 3.231 10 10 DGCE N[C@@H](c1cccs1)c1c(Br)ccc(F)c1O 396461009 MSZJMQZHEWSFKP-JTQLQIEISA-N 302.168 3.403 10 10 DGCE CC(C)C[C@H](c1ccc(N(C)C)cc1Cl)N1CCNCC1 575271913 GRVKOFFQGCSBRU-QGZVFWFLSA-N 309.885 3.398 10 10 DGCE CCOc1ccc(CN2C[C@@]34CCCC[C@]3(COC4)C2)c(O)c1 827851254 RVNOSCQQYCTCGJ-RTBURBONSA-N 317.429 3.184 10 10 DGCE CCCN(Cc1ccnn1-c1ccncc1)c1ccc(CN)cc1 825710396 OAQDWUFHOVUQOV-UHFFFAOYSA-N 321.428 3.143 10 10 DGCE CCOc1cccc(CN2C[C@@H](C)O[C@@](C)(C(F)F)C2)c1O 827962993 XRAKHRXBNBADEU-BDJLRTHQSA-N 315.360 3.035 10 10 DGCE C[C@@H](N[C@@H]1CCc2cccc(O)c21)c1ccc(-n2ccnn2)cc1 834694166 UWEFRJLHFYNUPF-CXAGYDPISA-N 320.396 3.311 10 10 DGCE O=C(NCc1cc(Br)ccc1O)OC1CCCC1 831521834 PKDNRQAEOXWBOK-UHFFFAOYSA-N 314.179 3.324 10 10 DGCE Fc1cc(-c2nc(-c3ncccn3)no2)ccc1-n1cccc1 731796519 WVLMSIYGKYWJDY-UHFFFAOYSA-N 307.288 3.123 10 10 DGCE C[C@H](N[C@@H](C1CC1)[C@@H]1CCCCO1)c1cc([N+](=O)[O-])ccc1O 848558892 PMCIJMZQBHBMIT-GOPGUHFVSA-N 320.389 3.299 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)Nc2ccccc2)cc1 844278277 BDTOKNQIJPEJAF-UHFFFAOYSA-N 313.401 3.295 10 10 DGCE CCOc1ccc(O)c(CN[C@@H](C(C)C)C2(CO)CC=CC2)c1 843433425 YFAPFXCDKPVLBG-SFHVURJKSA-N 319.445 3.234 10 10 DGCE CN(C[C@H](O)C(F)(F)F)c1ccc(-c2nccs2)cc1 846992751 MITGSVSGIJGFPJ-NSHDSACASA-N 302.321 3.170 10 10 DGCE Cc1ccc(O)c([C@@H](C)NC[C@@]2(C(F)(F)F)CCCN2)c1 925855655 PROGJTOGTTXADC-BXUZGUMPSA-N 302.340 3.036 10 10 DGCE CC[C@@H](N[C@@H]1CNC[C@H]1C)c1cc(Cl)cc(Cl)c1O 925782167 DSGUGBIAQYRFPI-BZHVJNSISA-N 303.233 3.348 10 10 DGCE O=C(O)/C=C\c1ccc(N2C[C@H]3CC[C@H]3C2)c(Br)c1 688353059 VVVMPSGBELJAIZ-ZLWJDNKISA-N 322.202 3.393 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@H](C)c3cscn3)C2)cc1 850487754 JFROPCAAZVZXBL-CHWSQXEVSA-N 303.431 3.081 10 10 DGCE Cc1cc(CN2[C@@H](C)[C@@H](C(=O)O)CC[C@H]2C)ccc1N(C)C 851708610 JPPAKLZTBBOVQB-YCPHGPKFSA-N 304.434 3.135 10 10 DGCE C[C@H](NC(=O)c1cc(O)cs1)[C@H]1Oc2ccccc2[C@H]1C 752824819 ZUPOJUXKVUSTLM-FTGAXOIBSA-N 303.383 3.137 10 10 DGCE Cc1ccc(O)c(CNC(=O)[C@H]2CC[C@H](C(F)(F)F)C2)c1 862756342 WAWFFIXCUVPSOW-JQWIXIFHSA-N 301.308 3.295 10 10 DGCE C[C@@]1(C(=O)N2Cc3cccc(O)c3C2)CCc2ccccc2C1 871202714 MBRWPGPCOGPHBT-HXUWFJFHSA-N 307.393 3.430 10 10 DGCE Cc1cncc(/C=C\C(=O)N2CCN(C3CC3)c3ccccc32)c1 778258070 FXLYYSHKBOIOJM-TWGQIWQCSA-N 319.408 3.419 10 10 DGCE Cc1cc(Cl)cc(CN2CCC[C@H]2[C@H](O)C(F)(F)F)c1O 775690300 PRRMTNODMLLBNR-AAEUAGOBSA-N 323.742 3.242 10 10 DGCE Cn1cnc(/C=C/C(=O)N2CCCc3cc(Cl)cc(F)c32)c1 1125879274 MXVREEJXTHKANZ-SNAWJCMRSA-N 319.767 3.205 10 10 DGCE Cc1ccc(CC[C@H](C)NC(=O)c2ccc(C)c(O)c2O)o1 780954020 LKOJEQRQHBMGLT-NSHDSACASA-N 303.358 3.059 10 10 DGCE CN(C)c1ccc(CNC(=O)[C@H]2CC[C@@H](C(F)(F)F)C2)cc1 794618506 IXTNSIJSWJEKMN-QWHCGFSZSA-N 314.351 3.347 10 10 DGCE CC[C@H](C(=O)OC(C)(C)C)N(C)Cc1ccc(N(C)C)cc1 792202473 KEDFQQKWZYUTKJ-MRXNPFEDSA-N 306.450 3.305 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)c2cc3[nH]ccc3s2)c1 793689936 QKZPNHGTVNMMGU-VIFPVBQESA-N 316.382 3.435 10 10 DGCE C[C@H](NC(=O)[C@](C)(O)c1ccc(Cl)cc1)c1ccccc1O 1302538322 NKJWRWMQLCSDTP-APPDUMDISA-N 319.788 3.131 10 10 DGCE C[C@@H]1[C@H](Nc2ccc(N)cc2)CCCN1C(=O)OC(C)(C)C 1959368368 UGGDBLPWVBPXKU-IUODEOHRSA-N 305.422 3.469 10 10 DGCE Cc1ccc(CNCc2ccc(Br)cn2)c(O)c1 1659862061 JPOMVCVCUZCMEM-UHFFFAOYSA-N 307.191 3.148 10 10 DGCE CN(CCN=[N+]=[N-])C(=O)C=Cc1cccc(Br)c1 1912181845 TVZIGYUJJBTLCM-UHFFFAOYSA-N 309.167 3.231 10 10 DGCE CNCc1ccc(N(C)[C@H]2C3C[C@@H]4C2[C@@H]4C3)cc1Br 2134317601 MFEXSVRDYYIVKC-OXOMBMJBSA-N 321.262 3.259 10 10 DGCE O=C(O)CC1CC(NCc2cc(Cl)cc(Cl)c2O)C1 1350667688 LSWPRMOLFJOARD-UHFFFAOYSA-N 304.173 3.042 10 10 DGCE Cc1cc([C@H](C)NC(=O)Cc2ccc(O)c(O)c2)c(C)s1 1625413052 WMPXBIGHAFRHCW-JTQLQIEISA-N 305.399 3.196 10 10 DGCE CC1(C)CCC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C1 1630021399 DFTLZOXJMIQQSA-IZPAUZPXSA-N 303.402 3.444 10 10 DGCE COc1ccc(N(C[C@H](O)COC(C)C)[C@@H](C)C2CC2)cc1 153882215 IJXOIFUAJKVGET-YOEHRIQHSA-N 307.434 3.086 10 10 DGCE CO[C@H](CN[C@H](C)c1ccc(N2CCOCC2)cc1)C(C)(C)C 154899871 DYFCUANYZCPVPX-CRAIPNDOSA-N 320.477 3.235 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@]1(N)c1ccccc1O 1933869966 BPOREPYCICVSMJ-RHSMWYFYSA-N 306.406 3.014 10 10 DGCE C[C@@H]1CCN(CCCCN=[N+]=[N-])C[C@H]1NC(=O)OC(C)(C)C 1962298749 HYWOXZHMJIFDAK-CHWSQXEVSA-N 311.430 3.312 10 10 DGCE C[C@@H](N)c1cnc(Sc2ccc(Br)cn2)s1 1976519604 HYXBMUWIGSFGPV-ZCFIWIBFSA-N 316.249 3.472 10 10 DGCE COc1cccc([C@@H](N)c2ccccc2O)c1Br 2037210191 SSWAFPOCQCBQLV-AWEZNQCLSA-N 308.175 3.211 10 10 DGCE CC(C)Cc1cc(C(=O)O)n([C@H](C)c2ccc(F)cc2O)n1 2069876412 WXDBYJWFXAWQQO-SNVBAGLBSA-N 306.337 3.234 10 10 DGCE C[C@@H](c1c(O)cccc1F)n1nc(C2CCCC2)cc1CO 2070200378 SELVCVWYEZHSMJ-NSHDSACASA-N 304.365 3.487 10 10 DGCE C[C@@H]1C[C@H](N(C)c2ccc(CN)c(C(F)(F)F)c2)CS1 2189469822 VKKWLXDIVZCLKJ-SKDRFNHKSA-N 304.381 3.494 10 10 DGCE Cc1cocc1CN(C)c1ccc(CO)c(Br)c1 2066415456 PDIKOBIGAIZAOT-UHFFFAOYSA-N 310.191 3.479 10 10 DGCE C[C@@H](c1ccccc1O)N(C)c1ncc(Br)cn1 2072447733 CVPYBPSGKZOYLA-VIFPVBQESA-N 308.179 3.142 10 10 DGCE CN(CC[C@H]1CC1(F)F)c1ccc(CO)cc1Br 2075423819 FSJPOBTWDKRYJR-JTQLQIEISA-N 320.177 3.423 10 10 DGCE C[C@@H](N)c1ccc(N2CCn3cccc3C2)c(Br)c1 2114529847 CUASUJLNFYBPLZ-LLVKDONJSA-N 320.234 3.291 10 10 DGCE C[C@H](O)c1ccc(N2CC[C@@H]3C[C@]3(F)C2)cc1Br 2222657972 PWAKARYRKJEAPF-RBZYPMLTSA-N 314.198 3.441 10 10 DGCE Cc1cc(N(C)C2CSCCSC2)ccc1C[C@@H](C)N 2237053831 JJCOAAGYJXBVDP-CYBMUJFWSA-N 310.532 3.170 10 10 DGCE CCN1C(=O)C(=CN2CCCc3ccccc32)SC1=S 2294073338 XSXQLKSEPVVSQV-UHFFFAOYSA-N 304.440 3.161 10 10 DGCE CSc1ncc(CN[C@@H]2CCCc3nc(O)ccc32)s1 2284686714 AMHBEMJVGZPOPC-LLVKDONJSA-N 307.444 3.133 10 10 DGCE C[C@@H]1N(c2cc(Cl)c(CN)cc2F)C[C@@H](C)OC1(C)C 2287887814 NQUVRENKEAVCKA-ZJUUUORDSA-N 300.805 3.330 10 10 DGCE Cc1ncc(CN(C)c2ccc([C@H](C)N)cc2Br)o1 2342828696 KJRUFNOGDJMOGF-VIFPVBQESA-N 324.222 3.402 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@]1(C)CNCc1ccccc1O 309728230 ODYHJKCDQSGKHY-GOSISDBHSA-N 320.433 3.271 10 10 DGCE CCC[C@H](C)OC(=O)/C=C/c1ccc(N2CCOCC2)cc1 177786668 GOYIVFGQNUSHMB-VSGCLNPGSA-N 303.402 3.268 10 10 DGCE CC(C)c1noc(CCCN[C@@H](C)c2cc(F)ccc2O)n1 185319635 UTPJOAJONDFBKM-NSHDSACASA-N 307.369 3.321 10 10 DGCE CN[C@H](C)c1ccc(N2CCCN3CCC[C@H]3C2)c(Cl)c1 252451355 INFVBSNYNZQJOX-HIFRSBDPSA-N 307.869 3.295 10 10 DGCE CCOc1cccc(CN[C@]2(C)CCCC[C@H]2C(=O)OC)c1O 272370590 BNWFXNZRIGWSIQ-KBXCAEBGSA-N 321.417 3.002 10 10 DGCE COC(=O)c1cnc(Sc2nc(CC(C)C)ns2)s1 294941843 LGVPNRXKUADVGE-UHFFFAOYSA-N 315.445 3.131 10 10 DGCE Cc1cc(N(C)C)ccc1CNCc1nn(C)c(C)c1Cl 817407328 JZCJDGJCPITZLP-UHFFFAOYSA-N 306.841 3.046 10 10 DGCE Cc1cccc(-n2c(C)cc(C(=O)N3Cc4c[nH]nc4C3)c2C)c1 820212692 BDRRKSWSDXQKFE-UHFFFAOYSA-N 320.396 3.282 10 10 DGCE COc1ccc(O)c([C@@H](C)NCCc2ncc(C)cc2C)c1 828155239 KNVCKJNXSXWHTP-CQSZACIVSA-N 300.402 3.306 10 10 DGCE CN1CC[C@@H]2[C@@H](CCCN2C/C=C/c2ccc(N(C)C)cc2)C1 835052953 IVBVXDIXBKQSPH-DTRRYIFCSA-N 313.489 3.182 10 10 DGCE COC(=O)CCN(C/C=C\c1ccc(N(C)C)cc1)C(C)C 835030314 WXQTURQQGYTOBN-SREVYHEPSA-N 304.434 3.039 10 10 DGCE Cc1ccccc1C[C@H](CO)NC/C=C\c1ccc(N(C)C)cc1 835050017 MAQAZBNXXMYUIP-LQOHYYORSA-N 324.468 3.267 10 10 DGCE C[C@@H]1CN(C)CC[C@@H]1N(C)C/C=C/c1ccc(N(C)C)cc1 835054455 VTHZOHJBQCIHMV-NHBNWDHASA-N 301.478 3.038 10 10 DGCE CN(C)c1ccc(/C=C\CN2CC[C@@H](Cc3cnn(C)c3)C2)cc1 835029272 RXHBFOBPOQSIPW-XDXAGZTOSA-N 324.472 3.064 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)NCC[C@H](C)F)cc1 836483737 WAWJXMIXYPZPSX-AWEZNQCLSA-N 309.429 3.422 10 10 DGCE C[C@H]1CCCN(c2ccc(CNC(=N)NC3CC3)cc2Cl)C1 848986907 KSKKVQGBXXUMLC-LBPRGKRZSA-N 320.868 3.353 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)Nc3ccccc3)C2)cc1 849225653 YJSQEFFXJFVCFZ-HNNXBMFYSA-N 311.385 3.096 10 10 DGCE Cc1cccc(-n2c(C)cc(C(=O)NCC3CSC3)c2C)c1 854874167 XNVKRCWNSDJORM-UHFFFAOYSA-N 314.454 3.495 10 10 DGCE CC1CCN(c2ccc(CN[C@@H](C)[C@@H]3[C@H]4CN[C@H]3C4)cc2)CC1 925556945 NBCRDFADNFROMK-MFHCWRBVSA-N 313.489 3.009 10 10 DGCE COC(=O)C1=CC[C@@H](N[C@H](C)c2cc(Cl)cc(C)c2O)C1 858473891 RLFXELRJDNFZIM-ZWNOBZJWSA-N 309.793 3.266 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)c1ccc2c(n1)CCCC2 857547851 WZAHZFHVKCLPHN-UHFFFAOYSA-N 316.788 3.249 10 10 DGCE CC(C)(C)OC(=O)Nc1cccc(O)c1[C@@](C)(N)C(F)F 1953034633 MLLMPXRUSRVLBX-CQSZACIVSA-N 302.321 3.178 10 10 DGCE CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2cc(O)cs2)C12CCC2 855922785 RDQZIIKQPUVLOY-QWHCGFSZSA-N 309.431 3.310 10 10 DGCE C[C@H](NCc1cnn(-c2ccccc2)n1)c1ccc(N(C)C)cc1 765142303 ISNISODQUQNFDL-HNNXBMFYSA-N 321.428 3.184 10 10 DGCE CC[C@H](N[C@H]1CCN(c2ccc(OC)cc2)C1)[C@H]1CCCOC1 872083640 CTPWDODFAMABKL-BXWFABGCSA-N 318.461 3.069 10 10 DGCE CCOC[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(C)C 897534022 IEZJKLYUOVMMMJ-NSHDSACASA-N 323.414 3.103 10 10 DGCE CN(C[C@H]1CCCS1)c1ccc(CN)cc1Br 718421398 YBSNUVFKJGHMST-LLVKDONJSA-N 315.280 3.240 10 10 DGCE CC[C@@H]1CNCCN1c1ccc(OC(F)(F)F)cc1Cl 699652087 PICFHBIXEVDPBL-SECBINFHSA-N 308.731 3.427 10 10 DGCE O=C(NCc1ccc(O)cc1O)c1cc2c(F)cccc2s1 1162278942 OHCFBYZCGFPSSI-UHFFFAOYSA-N 317.341 3.382 10 10 DGCE C[C@@H]1Oc2ccccc2[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 1160570216 BBZRGCJRKILECP-BONVTDFDSA-N 324.340 3.101 10 10 DGCE CCOC(=O)c1cnc(SCCOCCC2CC2)s1 2127765285 SWQRZGQTDINNCY-UHFFFAOYSA-N 301.433 3.229 10 10 DGCE CCc1ccc(C(=O)N[C@H](C)c2ccccc2O)cc1[N+](=O)[O-] 1454808242 UJEFMAXDITYBAI-LLVKDONJSA-N 314.341 3.354 10 10 DGCE COc1cc(CNCC(C)C)ccc1N1C[C@@H](C)O[C@H](C)C1 212668708 PJQGDBZAKQBMBT-HUUCEWRRSA-N 306.450 3.054 10 10 DGCE CCc1nc(NC(=O)c2ccc(N=NC(N)=O)cc2)sc1C 1463755363 XXALXWDEEUZRKM-UHFFFAOYSA-N 317.374 3.429 10 10 DGCE Cc1ccccc1CN(C(=O)Cc1ccc(O)c(O)c1)C1CC1 1464058457 QFFXDTGHNKPUCZ-UHFFFAOYSA-N 311.381 3.140 10 10 DGCE CC(C)(CCc1ccccc1)NC(=O)Cc1ccc(O)c(O)c1 1546294824 URWJKSAUVHJEJQ-UHFFFAOYSA-N 313.397 3.168 10 10 DGCE CCOc1nc(NCc2cccc(Cl)c2O)ncc1Cl 1559300319 KWTSHUXEHYPWGY-UHFFFAOYSA-N 314.172 3.500 10 10 DGCE Cc1ccc(OCCCC(=O)NCc2c(O)cccc2F)cc1 1635360388 LFODBNAQIAWHQQ-UHFFFAOYSA-N 317.360 3.315 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)NC[C@]12CCCC[C@H]1C2 1638438108 UBASNWSTUALNMP-BLLLJJGKSA-N 308.809 3.425 10 10 DGCE Cc1cc(C)c2c(c1)CCN(C(=O)c1c(F)ccc(O)c1O)C2 1649153181 BZXBLCBFQNSRGH-UHFFFAOYSA-N 315.344 3.052 10 10 DGCE COc1ccc(N(CCc2ccccc2)CC(OC)OC)cc1 1652802563 RVKKPZDGVQXMCJ-UHFFFAOYSA-N 315.413 3.363 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)c1onc2ccccc12 1585786564 FIJXTLINMYDFPD-UHFFFAOYSA-N 309.369 3.132 10 10 DGCE CC(C)(C)OC(=O)N1CCCC[C@H]1[C@H](N)c1ccccc1O 1928477627 WZMPWXJXCIYUKT-DZGCQCFKSA-N 306.406 3.182 10 10 DGCE NC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(O)cc1O)N2 13639672 RABVUMJFFGARJV-VEVIJQCQSA-N 322.364 3.023 10 10 DGCE CC(C)CNCc1ccc(N2CC[C@H](O)[C@H](C)C2)c(Cl)c1 166509861 CTYWHQJZFIYYKY-DYVFJYSZSA-N 310.869 3.293 10 10 DGCE CSCCN(C)c1ccc([C@H](C)N)cc1Br 167511419 HVDCFDDKXDEGIG-VIFPVBQESA-N 303.269 3.268 10 10 DGCE CC(=O)N[C@H](C)CN=NNc1ccc(C)c(Br)c1 1860494926 LTNGDSGMNFIHFA-SECBINFHSA-N 313.199 3.061 10 10 DGCE CCCN1N=C(C(F)(F)F)/C(=C/c2cccc(OC)c2)C1=O 1865678529 QOZUDBNXLADEFT-XFXZXTDPSA-N 312.291 3.249 10 10 DGCE Oc1cc(Br)ccc1CN[C@H]1C(F)(F)C12CC2 1876229009 RNJBJRNMCWAFEU-SNVBAGLBSA-N 304.134 3.042 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]2CN(CCCN=[N+]=[N-])CC[C@H]21 1962301121 UHUMEJSRTXKOGZ-CHWSQXEVSA-N 309.414 3.018 10 10 DGCE CN(CCCCN=[N+]=[N-])C[C@H]1CCCN1C(=O)OC(C)(C)C 1962302625 AZQICAXLAZJEBW-CYBMUJFWSA-N 311.430 3.408 10 10 DGCE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1Nc1c(N)cccc1F 1977690781 WHZFQWJKYPFVAU-BXUZGUMPSA-N 323.412 3.465 10 10 DGCE Nc1ccc(COC(=O)NCCCOCc2ccccc2)cc1 1981603050 NUSACAAEMNJKGX-UHFFFAOYSA-N 314.385 3.102 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN1Cc1sncc1Br 1984483740 IFQMTSXERFHRIV-ZETCQYMHSA-N 302.201 3.180 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@]2(C)C[C@]2(COc2ccc(N)cc2)C1 1992465738 SDMWYYDOHSCIST-QZTJIDSGSA-N 318.417 3.295 10 10 DGCE CN1CCc2cc([C@@]3(N)CCCN(Cc4ccccc4)C3)ccc21 1999506084 PXWJKRSCAQUXMT-OAQYLSRUSA-N 321.468 3.129 10 10 DGCE CN(C)c1ccc([C@H](O)c2ncsc2Br)cc1 1999502295 DBBHEHPNOMDRFK-NSHDSACASA-N 313.220 3.053 10 10 DGCE CC[C@@](C)(COC)NCc1cccc(Br)c1O 2014278253 HODDRWJBWCYUKE-ZDUSSCGKSA-N 302.212 3.059 10 10 DGCE Cc1c(Br)ccc(OCCN=[N+]=[N-])c1[N+](=O)[O-] 310311921 QVWFNSDPBCPSHW-UHFFFAOYSA-N 301.100 3.355 10 10 DGCE C[C@@H](NCc1ccn(Cc2ccccc2)n1)c1c(O)cccc1O 389970089 SQSKVHKKXLLEBO-CQSZACIVSA-N 323.396 3.193 10 10 DGCE CCN[C@H](C)c1ccc(N(C)[C@@H](C)C[S@@](C)=O)c(Cl)c1 399250254 LGGSUVUKCJSJIT-XXRNEEKGSA-N 316.898 3.214 10 10 DGCE CCNC(=O)c1cc(C(C)C)nn1Cc1cc(Cl)ccc1O 2070170609 OPIQMSCLLZWNPH-UHFFFAOYSA-N 321.808 3.164 10 10 DGCE CNCc1ccc(N(C)Cc2c(Cl)cnn2C)cc1Cl 2168138705 DGQGKAIDWYUVMR-UHFFFAOYSA-N 313.232 3.083 10 10 DGCE CO[C@H](CN(C)c1ccc(CO)cc1Br)C(C)C 2068167702 HTSRBSXOSGXHOS-CQSZACIVSA-N 316.239 3.049 10 10 DGCE Cc1[nH]c(=N[C@@H](C)c2ccccc2O)ccc1Br 2072491536 RJXUDAXUGNFMNO-VIFPVBQESA-N 307.191 3.453 10 10 DGCE CN(C)c1ccc([C@@H](N)c2nc(C(F)(F)F)cs2)cc1 2234791385 KXQVKRIZHGRVGC-LLVKDONJSA-N 301.337 3.276 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@H]1NC(=O)c1nc(Cl)ccc1Cl 2225796348 WITQZKLWMSNNJT-SFYZADRCSA-N 300.149 3.350 10 10 DGCE COc1ccc(Br)c(CNc2ccc(O)cc2)c1O 2227747894 GYTPHCYLIFOPAH-UHFFFAOYSA-N 324.174 3.481 10 10 DGCE O=C1C(=Cc2ccsc2)SC(=S)N1CCCCCO 2323792057 GCCGATVAZANGEL-UHFFFAOYSA-N 313.469 3.112 10 10 DGCE CNCc1ccc(N2C[C@@H]3C[C@H]2[C@@H]2C[C@H]32)cc1Br 2308721965 DNFPLIWITMJLNK-ZGFBFQLVSA-N 307.235 3.013 10 10 DGCE CCOC1(CNCc2ccc(C)c(Br)c2O)CC1 2327611292 BJWPZZVVDXWYAX-UHFFFAOYSA-N 314.223 3.122 10 10 DGCE Cc1ccc(CN2N[C@H]3CC[C@H]2C32CC2)c(O)c1Br 2352681722 WZUIEQJOEWQPFW-RYUDHWBXSA-N 323.234 3.095 10 10 DGCE Cc1ccc(CNCc2ccc(N)cc2)c(O)c1Br 2352690037 DVYQQEDTWBNFCO-UHFFFAOYSA-N 321.218 3.335 10 10 DGCE CCCOc1ccc(CN(C)C[C@@H]2CCCC[C@@H]2O)c(O)c1 181094405 SIRLOAJTVBIJOS-YOEHRIQHSA-N 307.434 3.164 10 10 DGCE CC(=O)N(C(=O)N/C=C/c1ccc(F)cc1)c1ccc(N)cc1 218183203 IXGGHBMDQRGAMY-ZHACJKMWSA-N 313.332 3.141 10 10 DGCE CC(C)c1[nH]ncc1C(=O)NCc1ccc(N2CCCC2)cc1 193414284 FKRZKBSGPXCIGU-UHFFFAOYSA-N 312.417 3.063 10 10 DGCE C[C@H](NC[C@H]1c2ccccc2C(=O)N1C)c1cc(F)ccc1O 528010023 ZUGJJOZIWDYHAA-ZBEGNZNMSA-N 314.360 3.009 10 10 DGCE CC[C@H](N[C@H]1CNCC[C@H]1C)c1ccc(C(F)(F)F)cc1O 817969521 VWDJPONNEHHOJN-SWHYSGLUSA-N 316.367 3.450 10 10 DGCE CCCCC[C@H](c1c(O)cc(OC)cc1OC)N1CCOCC1 575306994 JCKQZXSYWJLTBI-OAHLLOKOSA-N 323.433 3.363 10 10 DGCE CCOc1cccc(CNC[C@H]2CCO[C@@H](C(C)C)C2)c1O 824799164 LCNIYEJASOSYRM-WMLDXEAASA-N 307.434 3.332 10 10 DGCE C/C(=C/c1ccncc1)C(=O)NCc1c(O)ccc2c1CCCC2 847591096 PFMWJQQPQIOKKW-OWBHPGMISA-N 322.408 3.386 10 10 DGCE CN(Cc1ccccc1O)C(=O)NCC[C@@]1(C)C[C@]1(F)Cl 845411373 ANVCQHSOPYGSKQ-LSDHHAIUSA-N 314.788 3.238 10 10 DGCE COc1cc(C)cc(CN2CCOC[C@H]2c2ccccc2)c1O 754736758 KZULWFMRPYQSSN-KRWDZBQOSA-N 313.397 3.283 10 10 DGCE c1cncc([C@H](NCc2ccc(N3CCOCC3)cc2)C2CC2)c1 758633151 RYOUEJIZUFQNRX-HXUWFJFHSA-N 323.440 3.159 10 10 DGCE Cc1cc(O)c(CN[C@@H]2CCC[C@H]2Cc2cnn(C)c2)cc1C 850384867 SFRWYEAGBAEOGG-FUHWJXTLSA-N 313.445 3.244 10 10 DGCE C[C@@]12CN(c3ccc(OCc4ccccc4)cc3)C[C@@]1(CO)C2 1899874626 OEUFLADYAFUIRA-WOJBJXKFSA-N 309.409 3.474 10 10 DGCE CC(C)CCn1ccc(NC(=O)N2Cc3cccc(O)c3C2)n1 930414574 MTZJIFJLOQTLJM-UHFFFAOYSA-N 314.389 3.183 10 10 DGCE C[C@H](O)c1ccc(N(Cc2ccc(N(C)C)cc2)C2CC2)nc1 865456324 IHESSBJEODFZMJ-AWEZNQCLSA-N 311.429 3.370 10 10 DGCE O=[S@@]1[C@H]2CC[C@H]1CN(Cc1ccc3ccccc3c1O)CC2 862527980 UJOVWMCMQWSHAH-PONJGIIJSA-N 315.438 3.031 10 10 DGCE Oc1cc2c(cc1CN1CCC[C@@H]1C1CCOCC1)CCC2 776772621 QBXWFJMIKNNQEE-GOSISDBHSA-N 301.430 3.272 10 10 DGCE COc1nnc(NCc2cc(Cl)cc(Cl)c2O)s1 788450459 PSTVWAIDZCCJIW-UHFFFAOYSA-N 306.174 3.171 10 10 DGCE Cc1ccc(CNC[C@@H]2CCN(c3ccc4c(c3)OCO4)C2)cc1 76439882 TXYWEACHIDBLBP-KRWDZBQOSA-N 324.424 3.340 10 10 DGCE COc1cccc(CN2CCCC[C@@H](C3CCOCC3)C2)c1O 895716564 JCWSRUDNCLUIQE-MRXNPFEDSA-N 319.445 3.430 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(CF)cc2)c1 1137473337 GDCSLCAEQBFFCI-LLVKDONJSA-N 303.333 3.361 10 10 DGCE C[C@@H](NC[C@@H]1CCN1Cc1ccccc1)c1c(O)cccc1O 716297552 IHDYUPYJIAGIQN-ZBFHGGJFSA-N 312.413 3.023 10 10 DGCE CS[C@H](C)CCNCc1ccc(Br)cc1O 691464902 HIFRWTLECCGADK-SECBINFHSA-N 304.253 3.386 10 10 DGCE CCC1(C(=O)NCc2cc(O)ccc2O)CCC(F)(F)CC1 1303225141 ACBQUWVJZWNSLD-UHFFFAOYSA-N 313.344 3.320 10 10 DGCE Cc1oc(-c2ccco2)nc1CC(=O)N1Cc2cccc(O)c2C1 1175029963 NYVFBXKZFCZYJO-UHFFFAOYSA-N 324.336 3.034 10 10 DGCE NC[C@H]1C[C@H]2CC[C@H]1N2Cc1cc(Cl)cc(Cl)c1O 2117662264 BVDNGGDSDLKCKZ-XTWCZFFVSA-N 301.217 3.011 10 10 DGCE Cn1c(C(=O)N2CCC[C@H](CN=[N+]=[N-])C2)cc(Cl)c1Cl 1912180858 HFBRZZLURYIFCB-MRVPVSSYSA-N 316.192 3.494 10 10 DGCE COC(=O)CC[C@@H]1CCCN(Cc2ccc(N(C)C)c(C)c2)C1 1460715127 BVWMPUSUMOQVBF-INIZCTEOSA-N 318.461 3.226 10 10 DGCE O=C(CC1CSC1)Nc1c(-c2ccccn2)nc2ccccn12 1625656714 FKJVPBVYJPUAEE-UHFFFAOYSA-N 324.409 3.088 10 10 DGCE Cc1ccc(C(=O)NCc2ccc3cccnc3c2O)cc1F 1557123218 VUJCBNFKDKYXSC-UHFFFAOYSA-N 310.328 3.318 10 10 DGCE C[C@H](NC(=O)Cn1cc(C=O)c2ccccc21)c1ccccc1O 1557967840 MIHBSOORLZQARB-ZDUSSCGKSA-N 322.364 3.037 10 10 DGCE CC[C@H]1CCCC[C@H]1OCC(=O)NCc1c(O)cccc1F 1635361151 YDANCAUJDKDJGP-BLLLJJGKSA-N 309.381 3.133 10 10 DGCE C[C@H](NC(=O)NCC[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccccc1O 1636494746 DXSJVLFHLPPXQZ-ZQDZILKHSA-N 300.402 3.355 10 10 DGCE C[C@@H](NC(=O)COC/C=C/c1ccccc1)c1ccccc1O 1648889799 MTYBWCIBFXAIPZ-JOZWUWCOSA-N 311.381 3.299 10 10 DGCE COc1ccc(N2CCN(CC3(C)CCC3)CC2)c(OC)c1 1659857010 AOTUPHWZUGIYTQ-UHFFFAOYSA-N 304.434 3.016 10 10 DGCE CN[C@@H]1C(=O)Nc2cc(N3CC[C@@H](C(C)C)C3)c(Cl)cc21 160340859 HALDTTUESJZPIY-BMIGLBTASA-N 307.825 3.035 10 10 DGCE CNCc1ccc(N2CCCO[C@@H](C)C2)c(C(F)(F)F)c1 163712155 WMFNVRMRBXEXHU-NSHDSACASA-N 302.340 3.040 10 10 DGCE Cc1nn(C)c2ncc(NCc3cccc(Cl)c3O)cc12 164990162 PMQJYCQPLHWSDN-UHFFFAOYSA-N 302.765 3.248 10 10 DGCE C[C@@H](CN1CCC[C@@H]1CN=[N+]=[N-])C(=O)OCc1ccccc1 1975318236 HGQRFCKGUHBQSQ-DZGCQCFKSA-N 302.378 3.141 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H](CN(CCN=[N+]=[N-])C2CC2)C1 1982242866 RXPGJMPKHUBOQA-CYBMUJFWSA-N 323.441 3.408 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1CN(CCCN=[N+]=[N-])C2(CCC2)C1 1982245667 KOVOCLMOYPPPCE-CYBMUJFWSA-N 323.441 3.456 10 10 DGCE CC[C@H](O)CN(Cc1ccccc1)c1ccc2c(c1)CC[C@@H]2O 1986602327 FGAXQMHYJNPHJZ-ICSRJNTNSA-N 311.425 3.444 10 10 DGCE NCc1ccc(N2CCC[C@H](OCc3ccccc3)C2)cc1F 1987054116 HXSTYRCBTZTMQC-SFHVURJKSA-N 314.404 3.470 10 10 DGCE C[C@@H](O)c1ccc(N2CCn3ncc(Cl)c3C2)cc1Cl 2154039453 YHVACYSSZOTMKZ-SECBINFHSA-N 312.200 3.263 10 10 DGCE Cc1cccc([C@H](NN)c2ccccc2O)c1Br 2029555207 HKNIPPSNHJGKGC-CQSZACIVSA-N 307.191 3.016 10 10 DGCE CCOC(CCCNCc1cccc(Cl)c1O)OCC 2161091587 HNTNCLCOEUJSPN-UHFFFAOYSA-N 301.814 3.315 10 10 DGCE C[C@@H](c1cc(Cl)ccc1O)N1CCO[C@@H](C(F)F)CC1 687289884 ZQBAAXYQLMKONB-TVQRCGJNSA-N 305.752 3.463 10 10 DGCE CCc1cc(C(=O)OC)n([C@H](C)c2cc(C)c(C)cc2O)n1 2069932357 UCTIIQPELXKOTR-GFCCVEGCSA-N 302.374 3.164 10 10 DGCE CNCc1cc(-c2ccccc2)nn1Cc1ccc(C)cc1O 2070061137 CNXWDWCMXDQCDM-UHFFFAOYSA-N 307.397 3.332 10 10 DGCE Oc1cc(-c2nc(-c3ccc(Cl)s3)no2)cc(O)c1O 2188925543 VFGUOPVHJTUVPK-UHFFFAOYSA-N 310.718 3.235 10 10 DGCE Cc1cc(CN)ccc1N(C)Cc1ccc(Br)o1 2050628606 JLPWFLZYOXKMMB-UHFFFAOYSA-N 309.207 3.446 10 10 DGCE CNCc1ccc(N2CC(F)(F)C[C@@H]2C)cc1Br 2051996197 BTOUZMIOTCZZRU-VIFPVBQESA-N 319.193 3.402 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@@H]32)cc1Br 2053728615 AIXKTMRTEGKNPP-SVUUNPHSSA-N 308.219 3.347 10 10 DGCE C[C@H]1CC[C@@H](CN(C)Cc2c(O)cccc2Br)O1 2075393841 YNZYFZQAFKNHHK-QWRGUYRKSA-N 314.223 3.154 10 10 DGCE CN(c1ccc(CNC2CC2)cc1)C1CSCCSC1 2237061504 QDEXCXYMGZQWFQ-UHFFFAOYSA-N 308.516 3.223 10 10 DGCE NCc1ccc(N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@H]3C2)c(Br)c1 2264896242 WDLMGPNCORCAAN-LVEBTZEWSA-N 321.262 3.390 10 10 DGCE CCN1C(=O)C(=C2Sc3ccccc3N2C)SC1=S 2295072360 BXNZOCAILBRXHJ-UHFFFAOYSA-N 308.453 3.278 10 10 DGCE CC[C@@H](Nc1cscc1S(C)(=O)=O)c1ccccc1O 2288487284 UQEROTVNGNDWND-LLVKDONJSA-N 311.428 3.420 10 10 DGCE CCC[C@H](C)OC(=O)C=Cc1ccc(N2CCOCC2)cc1 2297778558 GOYIVFGQNUSHMB-HNNXBMFYSA-N 303.402 3.268 10 10 DGCE C[C@H](Cc1ccsc1)N(C)C(=O)C=Cc1ccc(O)c(O)c1 2308001843 UIEYUFXCRTWGAV-GFCCVEGCSA-N 317.410 3.262 10 10 DGCE Cc1ccc(SC[C@H](O)COc2ccc(N)cc2)cc1C 51328349 YINAFTYDVDNZRI-OAHLLOKOSA-N 303.427 3.418 10 10 DGCE Cc1cc(CNC2CC2)ccc1N(CCO)Cc1ccccc1 302932030 IJYBVHJRMDHEIM-UHFFFAOYSA-N 310.441 3.246 10 10 DGCE NC(=O)c1cccc2c1N[C@H](c1ccccc1O)[C@H]1CC=C[C@@H]21 20706771 WIBYZHIONRWMHH-PEBVRCNWSA-N 306.365 3.318 10 10 DGCE COc1cccc(CNC(=O)/C=C/c2cc(C)cc(C)c2)c1O 181668060 YQIFGSWPOQBQCM-BQYQJAHWSA-N 311.381 3.347 10 10 DGCE COc1ccc(O)c(CNC(=O)[C@H]2C[C@H]2c2ccccc2C)c1 77615021 SBKQZEJJFOFCJN-IRXDYDNUSA-N 311.381 3.129 10 10 DGCE CN[C@@H](C)c1ccc(N(CCOC)[C@@H](C)COC)c(Cl)c1 227022593 NJCGHJHBDYOWHJ-STQMWFEESA-N 314.857 3.108 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](NCc2cc(F)ccc2O)C1 382507368 YWENSEZJJYQSIZ-KGLIPLIRSA-N 324.396 3.067 10 10 DGCE FC(F)Oc1nccnc1NCc1ccc(N2CCCC2)cc1 807925799 VNQHHUJMXPUMRX-UHFFFAOYSA-N 320.343 3.290 10 10 DGCE CC[C@H](NC[C@H]1CCN1C(=O)OC(C)(C)C)c1ccccc1O 724913499 LLXRXKHJTQIFHG-HIFRSBDPSA-N 320.433 3.442 10 10 DGCE O=C(COC(=O)[C@@H]1CCCC[C@H]1C1CC1)c1ccc(O)c(O)c1 829746232 PLCOODYOLKPGMQ-UONOGXRCSA-N 318.369 3.040 10 10 DGCE COc1cc(Cl)cc(CN2CCC[C@@]3(CCOC3)C2)c1O 825133512 IEPVKHHQHLYBPM-MRXNPFEDSA-N 311.809 3.057 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 828494312 BZYAYCMXBWMRPH-YESZJQIVSA-N 315.461 3.473 10 10 DGCE Cc1c(Br)cncc1NC(=O)Nc1ccc(N)cc1 722749247 PYFULNSVBTZNFM-UHFFFAOYSA-N 321.178 3.379 10 10 DGCE Cc1ccc([C@@H](C)NC[C@]2(c3ccccc3)C[C@H](O)C2)c(O)c1 903271306 MGXHKJXFNXWGDB-WRWLIDTKSA-N 311.425 3.444 10 10 DGCE CCOC(=O)[C@@H]1CC[C@H](NC/C=C\c2ccc(N(C)C)cc2)C1 835050541 CWUWEGMMRUXHSP-DJAVDHGHSA-N 316.445 3.087 10 10 DGCE CC(C)O[C@]1(CN[C@H]2C[C@@H](C)c3c(F)ccc(O)c32)CCOC1 903357235 LJLUCJYYOZYPSL-IAISJRAMSA-N 323.408 3.253 10 10 DGCE CSc1cccnc1NCc1ccc(N2CCOCC2)cc1 846061694 QORPIDZEXPUDNJ-UHFFFAOYSA-N 315.442 3.252 10 10 DGCE Cc1cc(O)c(CNCC(=O)N(C)C2CCCCC2)c(Cl)c1 840903144 XPDFIRCIKYHGSB-UHFFFAOYSA-N 324.852 3.235 10 10 DGCE Cn1c(-c2ccccc2)cnc1SC[C@H]1CCC2(COC2)O1 916203204 LYLPXIPGCPYQAE-CQSZACIVSA-N 316.426 3.127 10 10 DGCE Cc1cc(O)c(CN2CCC[C@@H](c3ccnn3C)C2)c(Cl)c1 840912031 YGLWYDIUMLBILL-CYBMUJFWSA-N 319.836 3.467 10 10 DGCE COC(=O)/C(C)=C\CN(Cc1ccc(N(C)C)cc1)C(C)C 749115916 MAOOXNDIEXIBSU-PTNGSMBKSA-N 304.434 3.082 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@H]2CNc3ccccc3C2)cc1 844906959 XBHYZYYKXCVALT-OOFWQKGWSA-N 307.441 3.392 10 10 DGCE NCCN(CCc1ccccc1)Cc1cccc(Cl)c1O 843121941 MBMYCDQTACWEFO-UHFFFAOYSA-N 304.821 3.049 10 10 DGCE CCCN1CCC(CN[C@@H](C)c2cc(F)cc(F)c2O)CC1 756532809 GJQVKXUEKSIRQT-LBPRGKRZSA-N 312.404 3.443 10 10 DGCE COc1ccc(CN[C@@H]2CCC[C@H]2Cc2cnn(C)c2)cc1C 850384224 IRTGQBWIJROSIW-ZWKOTPCHSA-N 313.445 3.238 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@@H](C)c3cncs3)C2)cc1 850488424 MRHHIOCKKBTSBA-QWHCGFSZSA-N 303.431 3.081 10 10 DGCE COc1cc(O)c(CN2CCC(c3ccco3)CC2)cc1OC 853527118 LKTUPPXHLZEYKZ-UHFFFAOYSA-N 317.385 3.382 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@@H](C)c3cccc(O)c3)C2)cc1 850488926 POUKXFWLKAFXAW-GOEBONIOSA-N 312.413 3.330 10 10 DGCE CC[C@H](N[C@H]1Cc2ccccc2N(C)C1=O)c1ccccc1O 850502420 WCHIOVIJVMMJHY-HOTGVXAUSA-N 310.397 3.021 10 10 DGCE CC(=O)c1cc(Cl)cc(CN(C)CP(C)(C)=O)c1O 1899108495 BCLZWXTZLGPDIO-UHFFFAOYSA-N 303.726 3.260 10 10 DGCE C[C@H](N[C@@H]1CCN[C@H]1C)c1ccc(N2CCCCC2)c(F)c1 863545921 BHNYBUOUPSIONK-GRDNDAEWSA-N 305.441 3.217 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(C)nc2Cl)c1 761973405 PLXIGZSTALQLET-SNVBAGLBSA-N 320.776 3.249 10 10 DGCE CCNc1nc(C)c(C(=O)N[C@@H](C)c2ccccc2O)s1 881440554 FZMDQEJYSWFDIE-VIFPVBQESA-N 305.403 3.080 10 10 DGCE CCc1cnc(/C=C2/SC(N3CCCCC3)=NC2=O)s1 783700733 VVKJTKMPOQGGAD-DHZHZOJOSA-N 307.444 3.162 10 10 DGCE C[C@@](NCCN=[N+]=[N-])(C(=O)O)c1cc(Cl)ccc1Cl 90256359 WIYZBGMZYQOWPI-NSHDSACASA-N 303.149 3.193 10 10 DGCE CO[C@H]1CCC[C@@H]1N(C)Cc1ccc(Br)cc1O 687460622 OGBPPWLYCJVZQQ-JSGCOSHPSA-N 314.223 3.154 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)NCc2ncccc2O)cc1 792609912 LPYYHSWBCDUAOE-UHFFFAOYSA-N 321.380 3.125 10 10 DGCE CC(C)(C)OC(=O)NCCCCNCc1ccc2c(c1)CCO2 397916881 FBGCJEVDICZETO-UHFFFAOYSA-N 320.433 3.016 10 10 DGCE CN(C)c1ccc([C@@H](NN)c2ccc(Br)cc2)cc1 688615035 QJHSDTYJLUYZGV-HNNXBMFYSA-N 320.234 3.068 10 10 DGCE [N-]=[N+]=NC1CN(C(=O)c2cc3cccc(Br)c3o2)C1 1912158112 VLLWDWAAEHMMRM-UHFFFAOYSA-N 321.134 3.330 10 10 DGCE [N-]=[N+]=N[C@@H]1CCN(C(=O)COc2ccc(Cl)c(Cl)c2)C1 1912201251 RMEVGKFVZKVSCO-MRVPVSSYSA-N 315.160 3.283 10 10 DGCE C[C@H](O)c1ccc(N2CC(N(C)Cc3ccccc3)C2)c(F)c1 1914215797 OQGXACXTENZQQY-AWEZNQCLSA-N 314.404 3.200 10 10 DGCE CN(Cc1ccccc1O)C(=O)c1ccc(-c2cnc[nH]2)cc1 1622312478 MQLLIBXNCLDLPH-UHFFFAOYSA-N 307.353 3.055 10 10 DGCE COc1ccc(CNC[C@H](C)NC(=O)CC(C)=C(C)C)cc1C 1483255867 OQYHDYVWZFORLH-INIZCTEOSA-N 318.461 3.344 10 10 DGCE Cc1ccn(-c2ccc(C(=O)N3Cc4cccc(O)c4C3)cc2)n1 1632703339 HRUDFCFMKNSDPP-UHFFFAOYSA-N 319.364 3.042 10 10 DGCE CCc1ccc(N(CC2CC2)C(=O)/C=C\c2cn(C)cn2)cc1 1583189314 WNVFQNSZYWQJKK-FLIBITNWSA-N 309.413 3.439 10 10 DGCE c1cc2c(cc1CNCc1cnc([C@H]3CCCO3)s1)CCO2 1656270068 OLEXDLAQFYUSNU-MRXNPFEDSA-N 316.426 3.219 10 10 DGCE CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1CNc1ccc(N)cc1 1959368254 ZIQXTEZKHBVDGJ-CQSZACIVSA-N 305.422 3.326 10 10 DGCE COc1cc(C)cc(CN(C)CCOc2ccc(F)cc2)c1O 153398321 FSCGSXYZRQXYPG-UHFFFAOYSA-N 319.376 3.359 10 10 DGCE [N-]=[N+]=NCCCNC(=O)Nc1ccc(OC(F)(F)F)cc1 159029637 VGJOHAYJDQXTLO-UHFFFAOYSA-N 303.244 3.407 10 10 DGCE C[C@H]1CCCN(/N=N/c2ccc(N3CCN(C)CC3)cc2)C1 1860485931 GLIICKOKEQGDTP-MJWGMMHASA-N 301.438 3.169 10 10 DGCE CCC1=NN(CC(C)C)C(=O)/C1=C/c1ccc(OC)c(OC)c1 1865677573 RAXKOXWBNINNRY-NTEUORMPSA-N 316.401 3.351 10 10 DGCE Oc1cc(Br)ccc1CNC[C@@H]1C[C@]12CC2(F)F 1876068563 HQGAZVITDJPTQH-CABZTGNLSA-N 318.161 3.290 10 10 DGCE C[C@H](c1ccccc1O)N(C)c1c(N)cncc1Br 1877537943 KGOXRAHFUWFCQK-SECBINFHSA-N 322.206 3.329 10 10 DGCE C[C@]1(F)CCCN(c2ccc(CN)cc2Br)C1 1946855870 KEFIMGGLIPPQFT-ZDUSSCGKSA-N 301.203 3.236 10 10 DGCE Cc1cccc(O)c1CN[C@@H](CNC(=O)OC(C)(C)C)C(C)C 1976875543 LIPSWWRZJTWUBZ-HNNXBMFYSA-N 322.449 3.340 10 10 DGCE CC[C@H](NC(=O)OC(C)(C)C)[C@@](C)(N)c1ccc(N(C)C)cc1 1977946391 VMWHJALXHNLNOG-YJBOKZPZSA-N 321.465 3.230 10 10 DGCE CC[C@@H]1[C@@H](N[C@H](C)c2ccccc2O)CN1C(=O)OC(C)(C)C 1991559109 NVWCCVOGCYHEAM-VHDGCEQUSA-N 320.433 3.441 10 10 DGCE CCNCc1ccc(N2C[C@H]3C[C@@]3(C)C2)c(Br)c1 2035041624 VDEDBUHMFSHMJU-DOMZBBRYSA-N 309.251 3.405 10 10 DGCE Brc1cc(CNC2CC2)ccc1N1CC=CCC1 723172991 DCKRMDYIOUXSPP-UHFFFAOYSA-N 307.235 3.467 10 10 DGCE CCOC(=O)c1c(C2CCCCC2)nn2c(O)cc(CC)nc12 2080851320 MPZMVJWUKYLVTA-UHFFFAOYSA-N 317.389 3.222 10 10 DGCE CN[C@H](C)c1cc(F)c(N2CC(SC(F)F)C2)c(F)c1 2196704589 PWANQQZGUDQYBX-SSDOTTSWSA-N 308.344 3.390 10 10 DGCE CCC[C@H](COC)N(C)c1ccc(CO)c(Br)c1 2047303585 DRNKTIKXUDHFKB-CYBMUJFWSA-N 316.239 3.193 10 10 DGCE CN(CCCN=[N+]=[N-])C[C@@H](O)c1cccc(Br)c1 2050511430 TXFCKNGMXGLMHI-GFCCVEGCSA-N 313.199 3.115 10 10 DGCE Oc1cccc(Br)c1CN[C@@H]1[C@H]2CCC(F)(F)[C@@H]21 2051233305 YXUFTICOKBIJGT-CQFDHEJISA-N 318.161 3.288 10 10 DGCE CCCNCc1ccc(N2CC[C@H]2CF)cc1Br 2063214112 VVNTYLMFRVACMD-ZDUSSCGKSA-N 315.230 3.497 10 10 DGCE NCc1ccc(N2CC[C@H]3CC[C@@H]3C2)c(F)c1Br 2068257293 TXPHENXGIRXXLE-MWLCHTKSSA-N 313.214 3.283 10 10 DGCE COc1ccc(N(C)Cc2cc(Br)cn2C)c(N)c1 2114680853 ONPRFAZWMKEBHG-UHFFFAOYSA-N 324.222 3.015 10 10 DGCE COc1ccc(Br)c(CN[C@H]2CCC[C@H]2C)c1O 2220462149 HJDHQQHLGXLSGT-SKDRFNHKSA-N 314.223 3.442 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)c1cnc(Cl)c(Cl)c1 2225794557 GWVGZYKUIIDECD-RKDXNWHRSA-N 300.149 3.350 10 10 DGCE CC1(C)CCC(S(=O)(=O)Nc2ccc(O)c(F)c2)CC1 2240157625 SAUQNQFSVZTCLN-UHFFFAOYSA-N 301.383 3.242 10 10 DGCE COc1ccc(N2CCN(C(=O)C=CC(C)(C)C)CC2)cc1F 2298051563 CAKLTBONDVBPEU-UHFFFAOYSA-N 320.408 3.085 10 10 DGCE CCOc1cc(CNCCc2ccc(O)cc2)ccc1N(C)C 211995174 XUPYFTQKRJRGKR-UHFFFAOYSA-N 314.429 3.189 10 10 DGCE O=[N+]([O-])c1sc2c(I)cccc2c1O 306644673 NNUXOLAZXABSNP-UHFFFAOYSA-N 321.095 3.120 10 10 DGCE C[C@H](N[C@@H]1C[C@H]2OCCC[C@H]12)c1cc2c(cc1O)CCCC2 187289278 NTCZFLIMFJBCJR-QZSAOPTASA-N 301.430 3.489 10 10 DGCE C[C@@H]1CO[C@@H](c2ccccc2)CN1Cc1cc(F)ccc1O 180059432 OJZRWDUHNXSLIW-FZKQIMNGSA-N 301.361 3.493 10 10 DGCE NCc1ccc(N2CCCCCC2)c(F)c1Br 231838693 FBNBFFAMARFIHT-UHFFFAOYSA-N 301.203 3.427 10 10 DGCE CCN1CCC[C@H]1CNCc1ccc(N2CCCCC2)cc1 236842213 STOASSZRWYVEHF-IBGZPJMESA-N 301.478 3.251 10 10 DGCE CCCN[C@@](CO)(CSc1nccs1)[C@@H]1CC12CCC2 2371098073 YXTWXQQIKAUOOP-DOMZBBRYSA-N 312.504 3.156 10 10 DGCE CN1CCc2cc([C@@H](N)[C@H](O)c3cc(Cl)cs3)ccc21 2163137015 ZCINPLVMNMCMQU-HUUCEWRRSA-N 308.834 3.127 10 10 DGCE O=C(/C=C/c1cncc(F)c1)N1CCc2cc(F)c(F)cc21 491521679 XFFWYWNWWDQKOA-OWOJBTEDSA-N 304.271 3.101 10 10 DGCE COc1cc(F)cc([C@@H](C2CCCCC2)N2CCOCC2)c1O 575304617 VWIYSCQUHZIBDY-QGZVFWFLSA-N 323.408 3.494 10 10 DGCE COC1CCN(c2ccc(CN3CC[C@H](C(F)F)C3)cc2)CC1 828545213 OGHUTFHLUFIPHK-HNNXBMFYSA-N 324.415 3.389 10 10 DGCE C1=C[C@H]2CC[C@H]1[C@H]1CN(Cc3ccc(N4CCOCC4)cc3)C[C@H]21 824677396 CZIGBLRVNGATCR-FMWKFLBASA-N 324.468 3.167 10 10 DGCE CCOCc1cc(CN[C@@H](C)c2cccnc2)ccc1OC 731041068 OSOLSVVWYQXMIE-AWEZNQCLSA-N 300.402 3.478 10 10 DGCE Cc1ccc(CN(CCCN)c2ccc3c(c2)OCCO3)s1 842471545 IAOZBHQDJLIMFW-UHFFFAOYSA-N 318.442 3.183 10 10 DGCE CCOc1ccc(O)c(CN[C@H](C2CCOCC2)C2CC2)c1 846042769 PIKOAFFOQASHNC-SFHVURJKSA-N 305.418 3.086 10 10 DGCE C[C@@H](NCC[C@@H]1COc2ccccc2O1)c1ccc(F)cc1O 756763267 WIPUAERFZWJMEE-TZMCWYRMSA-N 317.360 3.412 10 10 DGCE CC(C)(C)OC(=O)Nc1cccc([C@H](N)C(F)(F)F)c1O 1952680064 JFUDJVHGZKLLHL-JTQLQIEISA-N 306.284 3.301 10 10 DGCE Cc1ccc(C(=O)N2CC3CC2(c2ccccc2)C3)c(O)c1O 856439976 HJZDNUHNBSTUOR-UHFFFAOYSA-N 309.365 3.168 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@@H]3CCc4cccc(O)c43)C2)cc1 850486507 IFHIQMORYNPHCY-CRAIPNDOSA-N 324.424 3.257 10 10 DGCE CCOc1cccc(CN[C@@]2(CO)CCCC(C)(C)C2)c1O 858252096 WTWPNRUJOXHATN-SFHVURJKSA-N 307.434 3.212 10 10 DGCE CCCCN(Cc1nnc(OC)s1)Cc1ccccc1O 930351265 NJEVEXVPIJTOFN-UHFFFAOYSA-N 307.419 3.055 10 10 DGCE c1ccc(COc2ccc(N3CC[C@H]4CNC[C@@H]4C3)cc2)cc1 1899880592 ZMDQXPRBPUTRNT-ZWKOTPCHSA-N 308.425 3.311 10 10 DGCE CC(C)N(CCCNC(=O)N[C@@H](C)c1ccccc1O)C(C)C 868379594 MPBZGICHIRMNEC-HNNXBMFYSA-N 321.465 3.261 10 10 DGCE Cc1cc(C)c([C@H](C)NCCOCC(=O)OC(C)(C)C)c(O)c1 866437442 HEXSXPWVDOBYOG-AWEZNQCLSA-N 323.433 3.018 10 10 DGCE CC(=O)c1ccc(NC(=S)NCc2ccc(Cl)cn2)cc1 776196612 XSEMVUJTOBDKOY-UHFFFAOYSA-N 319.817 3.424 10 10 DGCE CCN(C)c1ccc([C@H](C)NCCC[C@H]2CCOC2=O)cc1 872117357 OUDXMRKTYUWDKI-HOCLYGCPSA-N 304.434 3.137 10 10 DGCE FC(F)CN(Cc1ccc(N2CCOCC2)cc1)CC1CCC1 770296437 XKROVHBQVGYEHF-UHFFFAOYSA-N 324.415 3.390 10 10 DGCE C[C@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@H]1F 778620560 NPTBARNFXOPPNU-WMLDXEAASA-N 319.424 3.176 10 10 DGCE CCN(C[C@@H](O)C1CCCCC1)c1ccc(OC)c(OC)c1 789340692 CJPPMYFGFQXSNA-MRXNPFEDSA-N 307.434 3.471 10 10 DGCE Cc1cc(Br)c(O)c(CN2CCOCC2(C)C)c1 781903062 WUNNOZHDLCYQCR-UHFFFAOYSA-N 314.223 3.074 10 10 DGCE COc1cc(Cl)cc(CNC[C@@H]2CCC3(CCC3)O2)c1O 895677182 KCDLFBFOFDTSCQ-ZDUSSCGKSA-N 311.809 3.246 10 10 DGCE COc1ccc(N2CC[C@H](CNCCc3ccccc3)C2)cc1 76360683 KOGLXDWMUAKFJO-GOSISDBHSA-N 310.441 3.354 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@H]1CCN1C1CC1 700906369 FVJCIJVIDOPFKU-GFCCVEGCSA-N 301.217 3.025 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCC(C)(N3CCC3)CC2)cc1 895670269 DMTFXYPSNAYFAK-GQCTYLIASA-N 313.489 3.326 10 10 DGCE C[C@H](NCCCCNC(=O)OC(C)(C)C)c1c(O)cccc1O 397855163 LZTUKFGKUOGZEY-LBPRGKRZSA-N 324.421 3.053 10 10 DGCE C[C@H](N)c1ccc(N2CCO[C@H](C(F)F)CC2)c(Cl)c1 687573104 XVFBUXQVAMGFHY-ZANVPECISA-N 304.768 3.220 10 10 DGCE COc1ccc(O)c(CNC(=O)[C@H]2[C@@H](c3ccccc3)[C@H]2C)c1 797745142 WNZNNQUBUPQJIU-NXOUGTEYSA-N 311.381 3.067 10 10 DGCE CN(C[C@@H]1CCSC1)c1ccc(CN)c(C(F)(F)F)c1 718364776 MTINIKJGBQYBNJ-JTQLQIEISA-N 304.381 3.353 10 10 DGCE Cc1cc(CN2C3CCC2(CO)CC3)ccc1N1CCCCC1 1308097277 CWNMHDIWCPXMOF-UHFFFAOYSA-N 314.473 3.475 10 10 DGCE CCC[C@H](C)C(=O)N[C@@H](C)CNCc1ccc(OC)c(C)c1 1321813034 AVYODEHRALWTSF-ZFWWWQNUSA-N 306.450 3.034 10 10 DGCE CC[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CCN1C 211519544 RAPGBYXIZIHWSZ-LBPRGKRZSA-N 303.233 3.225 10 10 DGCE CCOC(=O)[C@H](NCCCN=[N+]=[N-])c1ccc(SC)s1 1912155170 KEOCIGTXJNXZTO-LLVKDONJSA-N 314.436 3.364 10 10 DGCE C[C@@H](NC(=O)c1cncc2[nH]ccc12)c1ccc(N(C)C)cc1 1517366427 DZVWNCRSKGJKOM-GFCCVEGCSA-N 308.385 3.120 10 10 DGCE O=C(/C=C\c1ccnc(Cl)c1)NCc1cccc(Cl)c1O 1457036728 NCBDPTGEQGDMEB-PLNGDYQASA-N 323.179 3.424 10 10 DGCE CC[C@@](C)(OC)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1525106896 ODVSJQPBJJPXBZ-GOSISDBHSA-N 304.434 3.060 10 10 DGCE C[C@H](NC(=O)c1sc2ncccc2c1N)c1ccccc1O 1454812493 ALULUJWWKOFMSR-VIFPVBQESA-N 313.382 3.075 10 10 DGCE c1cc2ncc(NCc3ccc(N4CCCCC4)cc3)cn2n1 1474296731 PYNWTYLWHKISMB-UHFFFAOYSA-N 307.401 3.332 10 10 DGCE CCc1ccc2c(c1)CCN2C(=O)c1c[nH]nc1-c1cccnc1 1472318774 WAKTZHVMUJADRV-UHFFFAOYSA-N 318.380 3.237 10 10 DGCE O=C(/C=C\c1nccs1)NCc1c(O)ccc2ccccc12 1472085040 JJCVIDSAJFDOJQ-FPLPWBNLSA-N 310.378 3.332 10 10 DGCE C[C@H](NC(=O)[C@H]1CCOc2c(F)cccc21)c1ccccc1O 1557968557 IPCZHQVQJIJQPH-FZMZJTMJSA-N 315.344 3.275 10 10 DGCE COc1ccc2[nH]cc(CC(=O)N[C@@H](C)c3ccccc3O)c2c1 1632249979 GGYBFIGALFRHLP-LBPRGKRZSA-N 324.380 3.302 10 10 DGCE CC1(C)CCc2cccc(NC(=O)c3cccc(O)c3O)c2O1 1630038725 HBHDZYQAMKDSGB-UHFFFAOYSA-N 313.353 3.454 10 10 DGCE CC[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@@H]2CCCC(=O)C2=O)C1 229287163 XBJZMTDHZZGLGM-HZSPNIEDSA-N 323.433 3.350 10 10 DGCE CCCC(=O)N[C@H]1CCC[C@H](NCc2ccc(OC)c(C)c2)C1 1662737960 ARHHVGHCVGOYBS-IRXDYDNUSA-N 318.461 3.321 10 10 DGCE COc1cc(O)c(CN2CC[C@H](OCCC(C)C)C2)cc1OC 160373384 ZFHJIWRNIXSPFO-HNNXBMFYSA-N 323.433 3.046 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H]1[C@H](N)c1ccc(N(C)C)cc1 1894538616 RMEZIGGQCUGMPC-WQVCFCJDSA-N 319.449 3.008 10 10 DGCE C[C@H]1C[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)CN1CCN=[N+]=[N-] 1962305441 SBVKXMAHCMCTOO-FRRDWIJNSA-N 311.430 3.168 10 10 DGCE O=C(O)C1=C(F)CN(Cc2cc(Cl)cc(Cl)c2O)CC1 1974303639 NNDJEXCNBUWNRV-UHFFFAOYSA-N 320.147 3.213 10 10 DGCE CC(C)(C)OC(=O)NCC[C@H]1CCN(Cc2ccc(N)cc2)C1 1977891683 DIGDYNZLHYRACI-HNNXBMFYSA-N 319.449 3.006 10 10 DGCE CCN(CC)c1ccc([C@H](N)CCNC(=O)OC(C)(C)C)cc1 1977945706 PKVLRQHQRJLFFQ-MRXNPFEDSA-N 321.465 3.447 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](NCc2ccc(F)cc2O)C1 1994524704 NPPPNNVWXYVLCB-UONOGXRCSA-N 324.396 3.067 10 10 DGCE Cc1nc(Sc2ncc(CNC3CC3)s2)nc(C)c1C 2155328391 JOERAGZJEYSGBD-UHFFFAOYSA-N 306.460 3.262 10 10 DGCE CNCc1ccc(N(C)[C@@H]2[C@H]3CCC[C@H]32)c(Br)c1 2033873207 DWQPVDFITQHUEP-JYAVWHMHSA-N 309.251 3.403 10 10 DGCE CNCc1ccc(N(C)C[C@H]2CC2(F)F)cc1Br 2036087614 LPSSNKDFWYWHRN-SNVBAGLBSA-N 319.193 3.260 10 10 DGCE Nc1ccc(CCCNCc2ccc(Br)o2)cc1 378958580 VJRSFIDHBOHHEZ-UHFFFAOYSA-N 309.207 3.347 10 10 DGCE CO[C@H]1CC[C@@H]1N(C)c1ccc([C@H](C)O)cc1Br 724149976 IELUDSJMKZLAPN-HERUPUMHSA-N 314.223 3.116 10 10 DGCE CCCN[C@@H](C)c1ccc(N(C)CC[S@@](C)=O)c(Cl)c1 398986570 DHBAUIVHNPFJNZ-FKIZINRSSA-N 316.898 3.215 10 10 DGCE CC[C@@H](c1ccc(C)cc1O)n1nc(C2CC2)c(C(=O)O)c1N 2078999244 MKJOIVIAFBYWII-LBPRGKRZSA-N 315.373 3.054 10 10 DGCE COc1ccc([C@@H](C)n2nc(C(C)C)c(CO)c2Cl)c(O)c1 2079999125 VEHZDRRCGGSPOU-SNVBAGLBSA-N 324.808 3.476 10 10 DGCE O[C@@H]1CCc2cc(N3CCS[C@H](C(F)(F)F)C3)ccc21 2184732311 SLCOCOLCDCJSEO-OLZOCXBDSA-N 303.349 3.150 10 10 DGCE C[C@@H]1CCOCC[C@H]1NCc1ccc(Br)cc1O 2046728471 VKKBWAFNEUBVBF-ZWNOBZJWSA-N 314.223 3.059 10 10 DGCE CC[C@H](COC)N(C)c1ccc([C@H](C)O)c(Br)c1 2047313239 WZGZHAMTAOWAEM-WDEREUQCSA-N 316.239 3.364 10 10 DGCE CN[C@@H](C)c1ccc(N(C)[C@H]2COCC2(F)F)cc1Cl 2197010953 HBWJGWPKBXQSEJ-ZANVPECISA-N 304.768 3.091 10 10 DGCE C[C@H](O)c1ccc(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@H]32)c(Br)c1 2053731592 XHJXOKOKMADWCO-MMUDCKCXSA-N 308.219 3.347 10 10 DGCE CCO[C@@H](CNCc1c(O)cccc1Br)C1CC1 2068143864 MTIMLTJNGDDJHR-AWEZNQCLSA-N 314.223 3.059 10 10 DGCE C[C@H](Nc1ncc(N)cc1Br)c1ccccc1O 2072484549 PYQOSUKBWIAKTA-QMMMGPOBSA-N 308.179 3.305 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCNCCC12CC2 2107509510 YWDOQWFKXLBIIN-UHFFFAOYSA-N 301.217 3.027 10 10 DGCE Oc1cc(Cl)ccc1CN1CC[C@@H](OC(F)(F)CF)C1 2238817818 PCZRADQIZASSQQ-LLVKDONJSA-N 309.715 3.199 10 10 DGCE CN[C@@H](C)c1cc(F)c(N2CC(P(C)(C)=O)C2)c(F)c1 2286166647 USUMIYPXYDORMA-VIFPVBQESA-N 302.305 3.057 10 10 DGCE Cc1cc(Cl)nc(Cl)c1C(=O)N1CC[C@H](CN=[N+]=[N-])C1 2295284028 VZAQBDKEHDWXPH-MRVPVSSYSA-N 314.176 3.469 10 10 DGCE Cc1ccc(CN[C@@H](C)C2(F)CC2)c(O)c1Br 2307475261 PGTUTIFKDMNZIF-VIFPVBQESA-N 302.187 3.443 10 10 DGCE O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/C=C\c1ccccc1 33315827 VJGITCDMOMKAQD-YTLDOUCOSA-N 324.380 3.037 10 10 DGCE c1ccc(-c2cnc(CNCc3ccc4c(c3)CCO4)nc2)cc1 185872525 ISDDFDHGTKQRIZ-UHFFFAOYSA-N 317.392 3.368 10 10 DGCE C[C@@H]1CC[C@@H](C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)O1 124991754 UJLOEHSQSHMUJA-QAPCUYQASA-N 316.445 3.203 10 10 DGCE C[C@@H]1OCC[C@@H]1N(C)c1ccc([C@@H](C)N)cc1Br 159719748 ZSPCVNMAFNBCTQ-NRUUGDAUSA-N 313.239 3.082 10 10 DGCE COCCCN1C(=O)/C(=C/c2cccc(F)c2)SC1=S 73139279 TVBKDOHMANCSLU-XFXZXTDPSA-N 311.403 3.063 10 10 DGCE COc1cc(Cl)cc(CNc2cnccc2N(C)C)c1O 229050362 YBPRKKVDGSTVTB-UHFFFAOYSA-N 307.781 3.127 10 10 DGCE C[C@@H]1C[C@H]1CN(C)c1ccc(CN)c(Br)c1F 231840096 XFOICRMBUJYOTK-SCZZXKLOSA-N 301.203 3.139 10 10 DGCE CC[C@H](C)[C@H](N)[C@@H](N)c1ccc(OCc2ccccc2)cc1O 95841023 LDVJHXRPZKOFER-AGRHKRQWSA-N 314.429 3.344 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)C1C[C@@H](C)O[C@H](C)C1 92602167 DHIKWBAHDJXNMO-ZIAGYGMSSA-N 305.418 3.334 10 10 DGCE CC(C)(C)NS(=O)(=O)N(c1ccccc1)c1ccc(N)cc1 244364838 XVUAUZQQBARUHH-UHFFFAOYSA-N 319.430 3.040 10 10 DGCE CCN[C@H](C)c1ccc(N2C[C@H](C)[C@@H](N(C)C)C2)cc1Cl 250249424 BHSBINRFUWOUQS-AHIWAGSCSA-N 309.885 3.397 10 10 DGCE O=C(/C=C\c1cccc2cccnc12)N1CCOc2ccncc21 255908994 RCEQCROKIQOKPP-SREVYHEPSA-N 317.348 3.069 10 10 DGCE O=C(O)/C=C\c1ccc(N2CC=CCC2)c(Br)c1 384811632 XNZPYQBYKWMSSB-ALCCZGGFSA-N 308.175 3.313 10 10 DGCE CO[C@@H]1[C@H]2C[C@@H]3CN(Cc4cc(Cl)cc(C)c4O)[C@@H]1[C@H]3C2 809698530 ZLHXRWJOPZGNSC-RLBTWZHOSA-N 307.821 3.209 10 10 DGCE Cc1cc2c(cc1C)N(C(=O)c1c[nH]cc1-c1cnn(C)c1)CC2 804322023 SNXYKAFGDVNQAI-UHFFFAOYSA-N 320.396 3.235 10 10 DGCE CCN(C(=O)c1ccc(-n2c(C)ccc2C)cc1)[C@@H]1CCOC1 812725500 BVYVCXPVTVFJJH-GOSISDBHSA-N 312.413 3.345 10 10 DGCE C=C/C(C)=C/CC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 819586579 ADLGWRIMSSUPFF-UZPPOTPCSA-N 314.429 3.160 10 10 DGCE O=[N+]([O-])c1ccc(O)c([C@H](C2CCCCC2)N2CCOCC2)c1 575276247 QDIYOFQKRIXYRI-KRWDZBQOSA-N 320.389 3.254 10 10 DGCE C[C@@H](NCC[C@H]1CCOC1)c1cccc(C(F)(F)F)c1O 815615702 VLLAQYQHTGLUNV-MNOVXSKESA-N 303.324 3.488 10 10 DGCE Cc1csc(C)c1S(=O)(=O)Nc1ccc(O)c(F)c1 725066004 BNMCUJYJOPBZOZ-UHFFFAOYSA-N 301.364 3.010 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 828494309 BZYAYCMXBWMRPH-BRWVUGGUSA-N 315.461 3.473 10 10 DGCE COc1nscc1CN(C)c1ccc([C@@H](C)O)cc1Cl 723222480 YTMBWJQKOZOMNA-SECBINFHSA-N 312.822 3.495 10 10 DGCE Cc1ncsc1/C=C\C(=O)N1CCc2c(F)cc(F)cc21 588517746 VSEGIXAQOUEQFD-IHWYPQMZSA-N 306.337 3.332 10 10 DGCE CCN(CC)C[C@H]1CCN(C/C=C\c2ccc(N(C)C)cc2)C1 835026223 QODGNLHRLPRZRS-QULHZPMSSA-N 315.505 3.430 10 10 DGCE CCOc1cccc(CN(C)[C@@H](CC)C(=O)OC(C)(C)C)c1O 846118862 SJIMMAALKDZJBG-AWEZNQCLSA-N 323.433 3.343 10 10 DGCE Cc1cc(N(C)C)ccc1CNCCCc1nc(C(C)C)no1 840931827 KKTHXTCFOAYBBU-UHFFFAOYSA-N 316.449 3.290 10 10 DGCE COC[C@H]1CCN1Cc1c(O)ccc2oc3c(c12)CCCC3 840083692 QBOWSXXJFIDULY-GFCCVEGCSA-N 301.386 3.238 10 10 DGCE C[C@H](CCC(F)(F)F)NC[C@H](N)c1ccc(N(C)C)cc1 841044982 HEKMDTAZKHJNJD-RISCZKNCSA-N 303.372 3.073 10 10 DGCE CCOC(=O)[C@@](C)(N)c1c(O)c(Cl)cc(Cl)c1Cl 1951729726 DTUVRSHZIKYZFN-NSHDSACASA-N 312.580 3.089 10 10 DGCE Cc1cc(C)c(O)c([C@](C)(CC(=O)O)NC(=O)OC(C)(C)C)c1 687755220 WAUOQOMVYCZQLL-KRWDZBQOSA-N 323.389 3.224 10 10 DGCE Cc1ccc(O)c([C@@H](C)NCC[C@@H](N(C)C)C(F)(F)F)c1 926966237 ZILJZUKALZMCBV-BXUZGUMPSA-N 304.356 3.234 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)NCCC1CC=CC1 926708443 IACHTDVEYUMLEO-UHFFFAOYSA-N 301.434 3.250 10 10 DGCE COc1ccc(N2CC[C@H](N[C@@H](C)c3cncc(C)c3)C2)cc1 850488919 PMMYDYJQYAPELR-RDJZCZTQSA-N 311.429 3.328 10 10 DGCE CN1CCC([C@@H]2CCN(Cc3cc4c(cc3O)CCC4)C2)CC1 755780073 MHZPNYNZIJGVEN-GOSISDBHSA-N 314.473 3.045 10 10 DGCE Cc1ccc(O)c(CNC(=O)Nc2ccnn2[C@H](C)C2CC2)c1 860966028 FMDCKQKSVULJNO-GFCCVEGCSA-N 314.389 3.190 10 10 DGCE Cn1c(-c2ccccc2)cnc1SCOC1CCOCC1 865348578 VTVLSTAFANPNIP-UHFFFAOYSA-N 304.415 3.332 10 10 DGCE CC[C@@H](NC(=O)N[C@@H](C)c1ccccc1O)[C@@H]1CCCCO1 868754252 HLIQCOPCJIGJTJ-BJJXKVORSA-N 306.406 3.100 10 10 DGCE CCOC(=O)c1cc(CN[C@@H](C)c2ccc(C)c(C)c2O)on1 866514335 JOCYRIWSFMOJRJ-LBPRGKRZSA-N 318.373 3.025 10 10 DGCE COc1cccc(O)c1CN1C[C@H](C)O[C@H](c2ccccc2)C1 769107129 UDNLVSKWOBVIRU-LIRRHRJNSA-N 313.397 3.363 10 10 DGCE CC(C)[C@@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)C1CC1 1118564672 DSZSIDZHBUUVPW-LJQANCHMSA-N 319.468 3.102 10 10 DGCE CC(C)(C)CC(C)(C)NCc1ccc(N2CCNCC2)cc1 84846383 XRLQGIDSSCZASB-UHFFFAOYSA-N 303.494 3.401 10 10 DGCE CCCCOc1ccccc1NC(=O)Cc1ccc(O)c(O)c1 1136369436 MBPIZCZXMJQIAA-UHFFFAOYSA-N 315.369 3.458 10 10 DGCE COc1cccc(CNCCCOCc2ccccc2)c1O 390096639 MLIFUYPVZNMBRY-UHFFFAOYSA-N 301.386 3.097 10 10 DGCE CN(Cc1ccccc1O)C(=O)c1cc2c(Cl)nccc2o1 1137345273 AMVXQGYROQDUMO-UHFFFAOYSA-N 316.744 3.459 10 10 DGCE COc1cccc(CNC(=O)[C@@H]2[C@H](C)[C@H]2c2ccccc2)c1O 797744980 UCKHBWKEUNATNY-OAUYIBNBSA-N 311.381 3.067 10 10 DGCE CN(C)c1ccc(CN2CCCC[C@@H]([C@@H]3CCOC3)C2)cc1 1308145960 RXTKQKOSMZJYAF-QZTJIDSGSA-N 302.462 3.391 10 10 DGCE COC(=O)c1c(NC(=O)c2cc(O)cs2)sc(C)c1C 1163689220 FSAKZCXEPXRFGK-UHFFFAOYSA-N 311.384 3.171 10 10 DGCE CN(C)c1ccc(CN2CCC[C@]2(CO)c2ccccc2)cc1 1176960072 SPSAKXBLDXAKSS-FQEVSTJZSA-N 310.441 3.236 10 10 DGCE c1nc2c([nH]1)C1(CCC1)N(Cc1ccc(N3CCCC3)cc1)CC2 1332009040 BTTBFRWNTLHWSQ-UHFFFAOYSA-N 322.456 3.447 10 10 DGCE CN(C[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2)c1ccc(CN)c(Br)c1 2134498145 WIRVMUZTQGBEEJ-DLPRDNSUSA-N 321.262 3.246 10 10 DGCE Nc1ccc(NC(=O)c2cccc3c4c([nH]c23)CCC(=O)C4)cc1 212482260 OMIULBRGTGWOFV-UHFFFAOYSA-N 319.364 3.060 10 10 DGCE C[S@](=O)(=NC(=O)c1cc(O)cs1)c1ccc(Cl)cc1 1607005498 MYEIULWUEKUVKP-LJQANCHMSA-N 315.803 3.404 10 10 DGCE O=C(NCc1c(O)cccc1F)[C@H]1C[C@H]1c1ccc(F)cc1 1471975714 DSQKBLCLALNFBB-STQMWFEESA-N 303.308 3.090 10 10 DGCE C[C@H](C(=O)N1Cc2cccc(O)c2C1)c1ccc(F)c(F)c1 1558035327 GRYVKIPSQKZTHJ-JTQLQIEISA-N 303.308 3.316 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)c2cnc3ccccc3c2)c1 1622779725 UDZMQVCZFDUNKN-GFCCVEGCSA-N 322.364 3.440 10 10 DGCE CSc1cc(NC(=O)c2ccc(N=NC(N)=O)cc2)ccn1 1559017776 XEPUIQKUYZNRHD-UHFFFAOYSA-N 315.358 3.218 10 10 DGCE CC(C)N(C)c1ccccc1NC(=O)c1cccc(O)c1O 1634796538 LTYRDCAQFJOFAJ-UHFFFAOYSA-N 300.358 3.195 10 10 DGCE COC(=O)c1cc(NC(=O)c2cc(O)cs2)ccc1Cl 1644103274 AMYGAKXTGQRAPD-UHFFFAOYSA-N 311.746 3.146 10 10 DGCE Cc1nnc(N(C)Cc2ccc(N3CCCC3)cc2)n1C1CC1 1742756116 PNTXUGCMKKQKOF-UHFFFAOYSA-N 311.433 3.158 10 10 DGCE CCN(CCOc1ccc2c(c1)OCO2)c1ccc(OC)cc1 1653661627 RHPRQUJNEKFVDO-UHFFFAOYSA-N 315.369 3.329 10 10 DGCE C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)[C@H](N)c1ccccc1O 1928837973 LWLMTMZAEZITSS-BXUZGUMPSA-N 308.422 3.331 10 10 DGCE Nc1ccc(CN(C(=O)CC2CCSCC2)C2CC2)cc1 161823543 YUSHDUBMDLQWDA-UHFFFAOYSA-N 304.459 3.293 10 10 DGCE Cc1nn(C)c(Cl)c1CN(Cc1ccc(N)cc1)C1CC1 166865024 LWFCSDQXYRWKDD-UHFFFAOYSA-N 304.825 3.129 10 10 DGCE Cc1nc(N(C)Cc2ccc(N)cc2)ccc1Br 234304631 QZXPBBFKNYPALT-UHFFFAOYSA-N 306.207 3.371 10 10 DGCE COC[C@@]1(F)CCN(Cc2cc(Cl)cc(Cl)c2O)C1 1875797417 USYZGKOEKBUMGV-CYBMUJFWSA-N 308.180 3.259 10 10 DGCE CN(Cc1cccc(O)c1)c1ccc(CN)cc1Br 1877526115 WTBZXSZOVXHLDX-UHFFFAOYSA-N 321.218 3.250 10 10 DGCE CCC1(F)CN(c2ccc([C@H](C)N)cc2Br)C1 1944799608 PSXKFLFYKHONGW-VIFPVBQESA-N 301.203 3.407 10 10 DGCE CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](N)c1ccc(N(C)C)cc1 1977945244 MRKXCPOGGAHVNN-HZPDHXFCSA-N 321.465 3.446 10 10 DGCE C[C@@H](NC[C@]1(Br)CC1(F)F)c1ccccc1O 2023779895 QUSQOXVAVVGEHX-LDYMZIIASA-N 306.150 3.216 10 10 DGCE CN(C)c1ccc([C@@](C)(N)c2cnn(Cc3ccccc3)c2)cc1 2024700834 VWZWEGYYCALKPM-HXUWFJFHSA-N 320.440 3.220 10 10 DGCE CNCc1ccc(N2CCCC[C@H](F)C2)cc1Br 2034857133 MJBHWHNQFGKESO-LBPRGKRZSA-N 315.230 3.497 10 10 DGCE CCCOC1CN(c2ccc([C@H](C)O)cc2Br)C1 2040860262 PJWGFSDVDGHLAU-JTQLQIEISA-N 314.223 3.118 10 10 DGCE CN(Cc1cncs1)c1ccc(CN)cc1C(F)(F)F 400190942 ZMSRZPYSOWQQSM-UHFFFAOYSA-N 301.337 3.257 10 10 DGCE CCS[C@@H]1CCCN(c2c(F)cc(CNC)cc2F)C1 382985192 VOJJMXKYPZOHJO-GFCCVEGCSA-N 300.418 3.406 10 10 DGCE C[C@@H]1C[C@H](N(C)Cc2cccc(Br)c2O)[C@@H](C)O1 384984405 ZMJDGZBKWLKHGF-BREBYQMCSA-N 314.223 3.152 10 10 DGCE OCc1ccc(N2C[C@H]3C[C@@H](CN(Cc4ccccc4)C3)C2)cc1 719363738 IJIMORLOPKAVDB-PMACEKPBSA-N 322.452 3.137 10 10 DGCE Cc1ccc(Cn2nc(CN)c(Cl)c2C(F)(F)F)c(O)c1 2079211137 KESYIDAMHVBWGZ-UHFFFAOYSA-N 319.714 3.076 10 10 DGCE Cc1cc(O)c([C@H](C)n2nc(C3CCC3)c(N)c2N)cc1C 2079986111 RGNUYDRQFCKUNH-NSHDSACASA-N 300.406 3.247 10 10 DGCE C[C@]12CN(c3cc(Cl)c(CN)cc3F)CC[C@@H]1C2(F)F 2187992497 GWMZFAQVDGFVFJ-STQMWFEESA-N 304.743 3.419 10 10 DGCE CCOc1cccc(CNCC2(Br)CCC2)c1O 2049205503 UAQIXYOTUHHUMD-UHFFFAOYSA-N 314.223 3.198 10 10 DGCE C[C@@H](O)c1ccc(N(CC(F)(F)F)C2COC2)cc1Cl 2196630859 RYJDVWLWVGJPSP-MRVPVSSYSA-N 309.715 3.161 10 10 DGCE CCn1cc(Br)c(CN(C)CCCCN=[N+]=[N-])n1 2060886108 SRZGHUNFFHGNHP-UHFFFAOYSA-N 315.219 3.188 10 10 DGCE CC(C)NCc1ccc(N2CC[C@H]2CF)c(Br)c1 2063224913 KASPDYBIZBONAO-LBPRGKRZSA-N 315.230 3.495 10 10 DGCE COc1ccc([C@H](C)N[C@@H]2CCC=C2Br)c(O)c1 2076080053 UVSPXHJCECAVPL-TVQRCGJNSA-N 312.207 3.493 10 10 DGCE CNCc1ccc(N2CC[C@H]3C=C[C@H]2C3)cc1Br 2078712392 OIKXBVJWTPQDSH-YPMHNXCESA-N 307.235 3.323 10 10 DGCE C[C@@H](O)CN(Cc1ccccc1)c1ccc2c(c1)OCCCO2 2210905924 POCOTDYKDULMBV-OAHLLOKOSA-N 313.397 3.235 10 10 DGCE CO[C@@H](CSc1ncc(C[C@H](C)N)s1)C1CCCC1 2268685953 ZKDAISZBOFMCER-GWCFXTLKSA-N 300.493 3.330 10 10 DGCE CSc1ncc(CNCCc2c(F)cccc2F)s1 2208443855 KAXPZIHSAHYIAR-UHFFFAOYSA-N 300.399 3.476 10 10 DGCE COc1ccc(Br)c(CN[C@@H](C)C2CCC2)c1O 2220462373 KOGIGQSKOBJKQX-VIFPVBQESA-N 314.223 3.442 10 10 DGCE NCc1ccc(N2C[C@@H]3[C@H]4CC[C@H](C4)[C@H]3C2)cc1Br 2264894221 HIOGGNPVNQIHQI-BAESOJJISA-N 321.262 3.390 10 10 DGCE CSc1ncc(CN2CCN[C@H](C3CCCCC3)C2)s1 2284676241 HCRWWGWDJSGBFO-AWEZNQCLSA-N 311.520 3.219 10 10 DGCE CP(C)(=O)C1CN(c2ccc(CNC3CC3)c(Cl)c2)C1 2286168253 COIPCYPPILUAKL-UHFFFAOYSA-N 312.781 3.403 10 10 DGCE O=C(C=Cc1cccnc1)N1CCCc2c(F)ccc(F)c21 2299490805 YUMMMDABFLLSQI-UHFFFAOYSA-N 300.308 3.352 10 10 DGCE Cc1ccc(CN(C)[C@H]2CCCOC2)c(O)c1Br 2327579984 BGHZMRUVXQGUBS-LBPRGKRZSA-N 314.223 3.074 10 10 DGCE CO[C@H]1CC[C@@H]1N(C)Cc1ccc(C)c(Br)c1O 2327609887 QCKIOEJQXAMDIR-RYUDHWBXSA-N 314.223 3.072 10 10 DGCE CC[C@@]1(C)CC(=O)N(c2c(Cl)cc(N)cc2Cl)C1=O 2340243270 UOBHBULICWWWGF-ZDUSSCGKSA-N 301.173 3.255 10 10 DGCE C[C@H]1Cc2ccccc2[C@@H]1NC(=O)NCc1ccc(N(C)C)cc1 111430907 RVWXOMIGAFLOCQ-IFXJQAMLSA-N 323.440 3.485 10 10 DGCE Cn1nccc1NC(=O)N(c1ccccc1)c1ccc(N)cc1 170590282 ITDGITZIZJEGGH-UHFFFAOYSA-N 307.357 3.373 10 10 DGCE CCC(CC)(CN[C@H](C)c1ccc(F)c(F)c1O)C(=O)OC 187918368 MYLVQTPITAGDDU-SNVBAGLBSA-N 315.360 3.300 10 10 DGCE CCCc1nnsc1C(=O)N(C)[C@@H](C)c1ccccc1O 87446511 XOXFEODBFQJMKB-JTQLQIEISA-N 305.403 3.029 10 10 DGCE CO[C@@H](C)[C@H](C)N[C@@H](C)c1ccc(Br)cc1O 191651404 SQDHVNMUEZVCEK-GUBZILKMSA-N 302.212 3.229 10 10 DGCE C[C@H](N)c1ccc(N2CCCSCC2)cc1Br 235508056 WYNQPIGDTYJBAC-JTQLQIEISA-N 315.280 3.412 10 10 DGCE CCOc1ccc(O)c(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1 290826739 HERMFQUSRCMAAU-MSOLQXFVSA-N 317.429 3.324 10 10 DGCE CO[C@@H]1CCCC[C@H]1C(=O)NCc1c(O)ccc2c1CCCC2 815835830 HAXWFLKPJTVQND-CRAIPNDOSA-N 317.429 3.092 10 10 DGCE C[C@@H](CSCCF)NCc1cc(Br)ccc1O 825893178 QZLDHVHYXASZJV-VIFPVBQESA-N 322.243 3.336 10 10 DGCE Oc1ccc2c(n1)CCC[C@@H]2NCc1cc(Cl)ccc1O 728781862 DXXPUFKIXVCXLU-ZDUSSCGKSA-N 304.777 3.313 10 10 DGCE O=C1COc2cc([N+](=O)[O-])c(N3CCCCCCCC3)cc2N1 829078221 YVZYTHKULPBMMD-UHFFFAOYSA-N 319.361 3.086 10 10 DGCE CCN(CC)c1ccc(CNC(=O)C[C@H](C)[C@H]2CCCO2)cc1 822608833 YNVCLGTVEADRSP-MAUKXSAKSA-N 318.461 3.354 10 10 DGCE COc1cc(O)c(CNCC[C@]2(C)C[C@@]2(F)Cl)cc1OC 846035574 HDWXSXFUSXQTEP-CABCVRRESA-N 317.788 3.204 10 10 DGCE C/C(=C\c1cccnc1)C(=O)N(C)Cc1ccc(N(C)C)cc1 847303885 DVJPXEULHGCPLS-NTCAYCPXSA-N 309.413 3.210 10 10 DGCE CN(C)c1ccc(CN[C@H]2CCCCNC2)c(C(F)(F)F)c1 841089684 JSEMDQDGOVVVKE-ZDUSSCGKSA-N 315.383 3.003 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H](F)C[C@H]1c1c(N)cccc1O 1953074481 XTHUZPARDCJBGM-PWSUYJOCSA-N 310.369 3.385 10 10 DGCE C[C@H](NC[C@@H](C)c1ccccn1)c1cc([N+](=O)[O-])ccc1O 850482601 QCFDOMTVMPZLFH-NEPJUHHUSA-N 301.346 3.150 10 10 DGCE COc1cccc2c1N(Cc1cc3c(cc1O)OCO3)CCC2 766338022 UMZXPMANHCVREK-UHFFFAOYSA-N 313.353 3.082 10 10 DGCE CN(C)c1cc(F)c(CN[C@H](C2CCC2)[C@@H]2CCOC2)cc1F 864053443 KQFSYKHWRJZIEW-FZKQIMNGSA-N 324.415 3.326 10 10 DGCE Cc1ccc(CNC[C@H]2CCN(c3ccc4c(c3)OCO4)C2)cc1 76439885 TXYWEACHIDBLBP-QGZVFWFLSA-N 324.424 3.340 10 10 DGCE CN1C[C@H](N(C)c2ccccc2)c2ccc(Cl)cc2[C@@H]1CN 82805149 LAXNXJXIQWSRMP-ROUUACIJSA-N 315.848 3.463 10 10 DGCE CCOC(=O)[C@@H]1CC[C@H](NCc2cc(Cl)cc(F)c2O)C1 798089326 QKPYOTRLBNNQSV-SKDRFNHKSA-N 315.772 3.006 10 10 DGCE C[C@@H](COCc1ccccc1)N[C@@H](C)c1ccc(O)cc1O 390559416 KLLRCBWTYDZAJL-KBPBESRZSA-N 301.386 3.354 10 10 DGCE Cc1oc(C)c(C(=O)NCc2ccc3cccnc3c2O)c1C 1162607228 LHKPCLFGYYBISC-UHFFFAOYSA-N 310.353 3.389 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@@H]1[C@@H]2CCCO[C@H]21 2119927226 YYUAXQJIBBGPBK-MISXGVKJSA-N 302.201 3.214 10 10 DGCE C/C(=C/C(=O)N(C)c1ccc(Cl)cc1F)c1cnccn1 1436074633 SRYAQMSRQKRAAZ-YFHOEESVSA-N 305.740 3.335 10 10 DGCE c1ccc(CN(c2ccc(CNC3CC3)cc2)C2COC2)cc1 1915689919 UTBGEDFZIOTFGW-UHFFFAOYSA-N 308.425 3.344 10 10 DGCE COC[C@H]1CC[C@H](NCc2cccc(Br)c2O)C1 1918699133 FCEAWJYODDVSEI-JQWIXIFHSA-N 314.223 3.059 10 10 DGCE CSc1ccc(CNC(=O)NCc2cc(C)ccc2O)cc1 1469841186 POFBJMJZCRVPMW-UHFFFAOYSA-N 316.426 3.422 10 10 DGCE C[C@H](CSC(F)(F)F)C(=O)N[C@@H](C)c1ccccc1O 1471195493 YMQYZCARUMJFON-BDAKNGLRSA-N 307.337 3.459 10 10 DGCE CC(=O)Oc1cc(C)c(Cl)c2c1C(=O)c1ccccc1C2=O 1615949099 ZFNPAESNAGMWBT-UHFFFAOYSA-N 314.724 3.349 10 10 DGCE C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)NCc1ccc2c(c1)CCCN2C 1626941111 UEAANNZQYSLPPB-PILAGYSTSA-N 312.457 3.367 10 10 DGCE COc1ccc(-n2c(C)cc(C(=O)N3CCCCO3)c2C)cc1 1638986955 PDLZBCJUSPPJEX-UHFFFAOYSA-N 314.385 3.270 10 10 DGCE CCCc1cc(C(=O)NCc2cc(O)ccc2O)sc1C 1644752718 RBCLMEDIBMAVSE-UHFFFAOYSA-N 305.399 3.350 10 10 DGCE Cc1nc2cc(NC(=O)Cc3ccc(O)c(O)c3)ccc2s1 1646229468 SXCKYFCNHWBBAV-UHFFFAOYSA-N 314.366 3.197 10 10 DGCE CC(C)(C(=O)NCc1cccc(O)c1O)c1ccccc1Cl 1651173249 VUGVPCBLCDHHHB-UHFFFAOYSA-N 319.788 3.345 10 10 DGCE C[C@@H](NC(=O)C1=NO[C@@H](c2ccccc2)C1)c1ccccc1O 1587445277 YRJWYTXQBFZFNS-SJKOYZFVSA-N 310.353 3.087 10 10 DGCE C[C@H]1[C@@H](Nc2ccccc2N)CCCN1C(=O)OC(C)(C)C 1959376924 GRSGFZQIXICRNO-JSGCOSHPSA-N 305.422 3.469 10 10 DGCE CC[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccc(N)cc1 1959573027 PJGQSRKZEQXADU-AWEZNQCLSA-N 305.422 3.105 10 10 DGCE CC1CCN(c2ccc(CNC(=O)[C@H]3CC[C@@H](C)O3)cc2)CC1 153426659 CKTNUNCRVHVDBF-CRAIPNDOSA-N 316.445 3.107 10 10 DGCE COCCN(CCOC)/N=N/c1ccc(N2CCCCC2)cc1 1860486256 UMXNQZLXJFYTIX-VHEBQXMUSA-N 320.437 3.270 10 10 DGCE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1CCCN=[N+]=[N-] 1962287140 FUFHBQKJRBKBPW-OLZOCXBDSA-N 311.430 3.455 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1NCc1c(O)cccc1F 1976877503 PTYFWTJVLDHXBS-UONOGXRCSA-N 324.396 3.067 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](C2(Nc3ccc(N)cc3)CC2)C1 1977666836 RGYPRXWLDFBYGO-ZDUSSCGKSA-N 317.433 3.470 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1CCCCN(c2ccc(N)cc2)C1 1977970386 MDNURSULHKIQMI-AWEZNQCLSA-N 319.449 3.400 10 10 DGCE CC(C)(C)OC(=O)N1CC(CCCNCc2ccccc2O)C1 1981057645 WSEIWLKTEVIMBX-UHFFFAOYSA-N 320.433 3.129 10 10 DGCE C[C@H]1CC(F)(F)CN1Cc1cccc(Br)c1O 2004639744 XWBUCANJAGRJEB-QMMMGPOBSA-N 306.150 3.384 10 10 DGCE C[C@@H]1CC(F)(F)CN1c1ccc(CO)cc1Br 2004627280 IICDNOXHJXJXHO-MRVPVSSYSA-N 306.150 3.175 10 10 DGCE C[C@@H](N(C)c1ccc(CN)cc1Br)C(C)(F)F 2009090954 AWXFSFDWHDRBJU-MRVPVSSYSA-N 307.182 3.388 10 10 DGCE C[C@@H]1C[C@]1(F)CN(C)c1ccc(CO)c(Br)c1 2025732735 PKKIPMACYXUNQG-RNCFNFMXSA-N 302.187 3.126 10 10 DGCE C[C@H](N)c1ccc(N(C)CC2(F)CC2)cc1Br 2025729585 DQEJAFRTQKDSNF-VIFPVBQESA-N 301.203 3.407 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)c2csc(Br)c2)C1 403703757 KZEVFKSEMSWTAQ-MRVPVSSYSA-N 315.196 3.426 10 10 DGCE C[C@@H]1O[C@H](C)[C@@H](NCc2c(O)cccc2Br)[C@H]1C 706883731 XRYHMOYNVUXNOQ-RZGXBDKHSA-N 314.223 3.056 10 10 DGCE CC[C@@H](O)[C@@H](C)NCc1cc(Cl)cc(Br)c1O 708133527 LPPCVASNAARSPA-RDDDGLTNSA-N 322.630 3.057 10 10 DGCE CCCNCc1ccc(N2C[C@H]3C[C@@H]3C2)cc1Br 379552822 UGUVBOYNFXBDHU-CHWSQXEVSA-N 309.251 3.405 10 10 DGCE C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1NCc1cc(Br)cc(F)c1O 715738303 RHXVKNRCSPSLOW-UWXZRWETSA-N 314.198 3.428 10 10 DGCE Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c(Cl)c1 383627462 HZLMRRCGIOZLJF-UHFFFAOYSA-N 307.136 3.376 10 10 DGCE C[C@@H](NCc1cc(Br)ccc1O)c1ccns1 715940134 DIOGRMPKQFENPO-MRVPVSSYSA-N 313.220 3.462 10 10 DGCE C[C@@H]1CCN(Cc2cccc(Br)c2O)C[C@@H]1F 779151534 ZOPNPZIKCUKHLY-SKDRFNHKSA-N 302.187 3.335 10 10 DGCE Nc1cccc(Br)c1N[C@H]1CCN(C2CCC2)C1 2050392902 FUNKICGSOYPNBK-JTQLQIEISA-N 310.239 3.070 10 10 DGCE CCC[C@@H]1COCCN1Cc1cccc(Br)c1O 2050897344 IVONNYDXRLHFSP-GFCCVEGCSA-N 314.223 3.156 10 10 DGCE Cc1cc(Br)nc(N(C)Cc2ccc(N)cc2)c1 2077433133 PJGVBDAWZNAYRX-UHFFFAOYSA-N 306.207 3.371 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CC[C@H]2COCC[C@@H]21 2088705244 BANWTMMMKDZBNY-ZANVPECISA-N 302.201 3.310 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@@H]1NC(=O)c1ccc(Br)s1 2213584505 DZIVIFIJDUOULN-BQBZGAKWSA-N 315.196 3.472 10 10 DGCE CSc1ncc(CN[C@@H](C)c2ccc3c(c2)OCO3)s1 2208457160 VWPJRVPWDMUGSG-VIFPVBQESA-N 308.428 3.445 10 10 DGCE CN(CCF)c1ccc(CNC2CCC2)c(Br)c1 2223521749 BXBRFZJOGNCHLJ-UHFFFAOYSA-N 315.230 3.497 10 10 DGCE CSc1ncc(CN=c2cc[nH]cc2C(F)(F)F)s1 2269099666 PSQOXWIQFRAGTD-UHFFFAOYSA-N 305.350 3.313 10 10 DGCE Cc1ccc(O)c([C@H](C)Nc2cscc2S(C)(=O)=O)c1 2288487384 VVXALBRZLVOOIL-JTQLQIEISA-N 311.428 3.339 10 10 DGCE COc1ccc2c(c1)N(C(=O)C=Cc1cncc(C)c1)C[C@@H](C)O2 2302389015 LWZDJAGUYKLCML-CQSZACIVSA-N 324.380 3.226 10 10 DGCE O=C(C=Cc1ccccc1Cl)NCCc1ccc(O)c(O)c1 2305628435 PNADMLIHXJLYDJ-UHFFFAOYSA-N 317.772 3.123 10 10 DGCE Cc1ccc(CN(C)C(=O)C(C)(C)F)c(O)c1Br 2327604028 VEJPBCVGSSHFHI-UHFFFAOYSA-N 318.186 3.170 10 10 DGCE CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(\C)Nc1ccccn1 101833782 CHSSBLAJUMFFMI-LFIBNONCSA-N 310.332 3.329 10 10 DGCE CCN(c1c(F)cc(CNC(C)C)cc1F)[C@@H](C)COC 62713727 MZZCPNIOAQEEEN-LBPRGKRZSA-N 300.393 3.324 10 10 DGCE COc1cccc(CNC(=O)c2cccc3ccccc23)c1O 68488541 UUCOVECXIBUTFT-UHFFFAOYSA-N 307.349 3.484 10 10 DGCE Cc1ccc(Br)c(NC(=O)c2cccc(O)c2O)c1 126183035 ZBLZPRSBFJTMJU-UHFFFAOYSA-N 322.158 3.421 10 10 DGCE COc1cccc2c1N(C(=O)/C=C/c1scnc1C)CCC2 186115499 FNEFVDOLAJLAIC-CMDGGOBGSA-N 314.410 3.453 10 10 DGCE CSC[C@@H](C)N(C)c1c(F)cc(/C=C\C(=O)O)cc1F 312160350 FLRKPHCCWVMEOC-XRVBUDJMSA-N 301.358 3.250 10 10 DGCE CC[C@@]1(C)C[C@@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 132980501 YYKPKPVJCCJHEY-AEFFLSMTSA-N 318.486 3.292 10 10 DGCE COc1cccc(CN2C[C@@H](c3ccccc3)OC[C@@H]2C)c1O 130657859 FHLVTSATJNTXCJ-KSSFIOAISA-N 313.397 3.363 10 10 DGCE C[C@H](NCc1ccc2c(c1)CCO2)[C@@H](C)NC(=O)OC(C)(C)C 381844989 YVSNKPDZIYIQGH-QWHCGFSZSA-N 320.433 3.013 10 10 DGCE CC1(C)CCN(c2cc(Br)c(CN)cc2F)C1 383684095 RLTKIAHGYSNPRQ-UHFFFAOYSA-N 301.203 3.283 10 10 DGCE CNCc1cc(F)c(N(CCOC)Cc2ccccc2)c(F)c1 384394869 CZBHHWYLDXMBOX-UHFFFAOYSA-N 320.383 3.337 10 10 DGCE CC(=O)N(C(=S)NCc1cccc(C)c1)c1ccc(N)cc1 243811767 QQWUIFSZZKFGGY-UHFFFAOYSA-N 313.426 3.005 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1C[C@H]2Oc1ccc(N)cc1 259643711 SCFYWJOAXQDPQV-IVMMDQJWSA-N 318.417 3.436 10 10 DGCE CN(C)c1ccc(CN(C[C@@H](O)CC(F)(F)F)C2CC2)cc1 276342229 ISSXDCNVADDIAG-HNNXBMFYSA-N 316.367 3.030 10 10 DGCE CN1CCc2cc([C@H](N)[C@H](O)c3cc(Cl)cs3)ccc21 2163137016 ZCINPLVMNMCMQU-LSDHHAIUSA-N 308.834 3.127 10 10 DGCE C[C@H](NCC1(N)C2CC3CC(C2)CC1C3)c1ccccc1O 817984777 ZSDJUDOIGJTBQJ-CYFGEWFFSA-N 300.446 3.196 10 10 DGCE CC[C@@H](N[C@H](CCOC)COC)c1cc(Cl)ccc1O 810257703 TZSPATLJGTYNGQ-TZMCWYRMSA-N 301.814 3.138 10 10 DGCE CCc1nc(CNCc2cc(Cl)c(F)cc2O)cs1 816547440 WJOWTQCLBCGLFE-UHFFFAOYSA-N 300.786 3.493 10 10 DGCE Cc1ccc(C(=O)O[C@H](C)c2cccc([N+](=O)[O-])c2)c(O)c1O 727005275 MNBYQWIGVXREFR-SNVBAGLBSA-N 317.297 3.232 10 10 DGCE COc1ccc(N2CCN(C(=O)C3=CC[C@@H](C)CC3)CC2)cc1 836206390 DUKVQMOIRSRXCO-OAHLLOKOSA-N 314.429 3.090 10 10 DGCE COc1ccc(CNC/C=C/c2ccc(N(C)C)cc2)cc1O 835037701 SDYBMIQKWVVACS-SNAWJCMRSA-N 312.413 3.270 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCCc2ccccc21 588403353 HTOFSFLZQXCOJH-HGPCXVNDSA-N 309.365 3.305 10 10 DGCE CC1(C2(NC(=O)NCc3ccc(N4CC=CC4)cc3)CC2)CC1 838487128 XFWCMHSLPLKNDK-UHFFFAOYSA-N 311.429 3.195 10 10 DGCE COc1cnccc1[C@@H](C)N[C@H](C)c1cccc(OC)c1O 846164107 MQAOFTAQKAMFFG-VXGBXAGGSA-N 302.374 3.216 10 10 DGCE Oc1ccc(Cl)cc1CNc1ccc([C@H]2CNCCO2)cc1 849351681 BAVQWGSFMXQKSQ-QGZVFWFLSA-N 318.804 3.319 10 10 DGCE C[C@H](NC(=O)c1ccc(NC2=NCCC2)cc1)c1ccccc1O 913764025 YIAIXOUCIAUWDG-ZDUSSCGKSA-N 323.396 3.487 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]2[C@H]1[C@@H](N)c1ccccc1O 1894350205 DKCDSSQKOBAIDY-APYUEPQZSA-N 318.417 3.038 10 10 DGCE CN(C[C@H]1C[C@H]1COc1ccc(N)cc1)C(=O)OC(C)(C)C 1952753686 BPVVZSHFMXLZJW-OLZOCXBDSA-N 306.406 3.151 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@@H]1CCN(C)C(C)(C)C1 858179552 NWTPWPKHXGRDBL-SJLPKXTDSA-N 317.521 3.454 10 10 DGCE C[C@H]1CN(c2ccc(CN)cc2Cl)C[C@@](C)(C(F)F)O1 698781720 PCVOAHFDIODKLI-XPTSAGLGSA-N 304.768 3.048 10 10 DGCE COc1ccc2c(c1)CC[C@@H]2C(=O)NCc1ccc(N(C)C)cc1 1118804192 BDUBZJGGFBPQFG-IBGZPJMESA-N 324.424 3.107 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccn2nccc12 878008975 QOTPJUHKIVGKNF-UHFFFAOYSA-N 322.412 3.063 10 10 DGCE COCCN(Cc1cccc(OC)c1O)[C@H]1C[C@H]2CC[C@H]1C2 775204685 BUJJVMMXYVEBNY-DZKIICNBSA-N 305.418 3.038 10 10 DGCE C[C@H](NC(=O)CCc1ccccc1O)c1ccc(N(C)C)cc1 775410193 KDLLBCMTAFRWQY-AWEZNQCLSA-N 312.413 3.268 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1cc2cnccc2[nH]1 1149880698 PQPLWEIEXSLEER-UHFFFAOYSA-N 309.369 3.321 10 10 DGCE Cc1cc(Br)c(O)c(CN[C@H]2CSC[C@@H]2C)c1 796480962 BOKJBRDRMRXJNF-CABZTGNLSA-N 316.264 3.304 10 10 DGCE COc1ccc(CNC2CC(OCc3ccccc3)C2)c(O)c1 716296101 KGALXHCYYWUMHA-UHFFFAOYSA-N 313.397 3.238 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CC[C@H]2COC[C@H]2C1 690798851 KQCRXBWVCODSCW-GXSJLCMTSA-N 302.201 3.167 10 10 DGCE C/C(=C/C(=O)N(C)c1ccc(F)c(Cl)c1)c1cnccn1 1458394228 FMFZHLCBTYPLRI-YFHOEESVSA-N 305.740 3.335 10 10 DGCE COc1ccc(N(C)CCCN(C)C(=O)OC(C)(C)C)cc1 1460336954 SVYGNJVCKJNVBW-UHFFFAOYSA-N 308.422 3.388 10 10 DGCE C[C@H](CC(=O)NCc1ccc(O)cc1O)c1c[nH]c2ccccc12 1469160812 UGRQQMIHNJTWIG-GFCCVEGCSA-N 324.380 3.389 10 10 DGCE CC(C)(C)OC(=O)NC1([C@H](N)c2ccccc2O)CC=CC1 1923265922 IWMIHIPZWGTDRV-CQSZACIVSA-N 304.390 3.006 10 10 DGCE COc1ccccc1[C@H](C)NC(=O)NCc1c(O)cccc1F 1565242627 LQMGHIGDXWNWTC-NSHDSACASA-N 318.348 3.100 10 10 DGCE C[C@@H](NC(=O)Cc1cn(C)c2ccccc12)c1ccccc1O 1642824493 XTCMMEXWWBIOEM-CYBMUJFWSA-N 308.381 3.304 10 10 DGCE COc1ccc(N(CC(=O)NCC(C)(C)C)CC2CC2)cc1 1654495076 HYKGAODDMFWGJE-UHFFFAOYSA-N 304.434 3.074 10 10 DGCE CC[C@@H](C(=O)NCc1c(O)cccc1F)c1ccc(F)cc1 1596912707 QVOLGQYBUMRJFB-CYBMUJFWSA-N 305.324 3.480 10 10 DGCE Cc1ccc(CNC(=O)N2Cc3cccc(O)c3C2)cc1F 1676298124 BFHHFLHJWHARQQ-UHFFFAOYSA-N 300.333 3.065 10 10 DGCE C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)N(C)Cc1ccc(N(C)C)cc1 1687605766 PBJZWQPTDQBQNY-WCZJQEMASA-N 315.461 3.186 10 10 DGCE Oc1cc(Br)ccc1CNCCC1CC(F)C1 1947682823 ILCPCYSTPULJJL-UHFFFAOYSA-N 302.187 3.383 10 10 DGCE COc1cc(Cl)cc(CN[C@@H]2CC[C@H]3[C@H]2C3(F)F)c1O 1967819146 HHVRCDTYIDQPNC-HOSYDEDBSA-N 303.736 3.188 10 10 DGCE CO[C@H]1[C@H](NCc2cccc(Br)c2O)CC1(C)C 1974300296 SGDOFMNNFOQNAV-YPMHNXCESA-N 314.223 3.058 10 10 DGCE CCNCc1cc(F)c(N2CCSC(C)(C)C2)c(F)c1 158927516 XLUSOPURCNRZFA-UHFFFAOYSA-N 300.418 3.406 10 10 DGCE CN(Cc1ccc(N)cc1)C(=O)c1cc(Cl)c(Cl)n1C 2148903336 YFLJAIDNPDLTSX-UHFFFAOYSA-N 312.200 3.186 10 10 DGCE C[C@@H](N)c1ccc(N(C)C[C@H]2C[C@H]2F)cc1Br 2014704117 CSAAUTQFAMJFPP-JRKPZEMJSA-N 301.203 3.263 10 10 DGCE CC[C@@H]1CCOC[C@H]1NCc1cccc(Br)c1O 2035128452 FVWQQTCDMZTCQN-ZWNOBZJWSA-N 314.223 3.059 10 10 DGCE CC[C@H](O)[C@@H](C)NCc1cc(Cl)cc(Br)c1O 708133526 LPPCVASNAARSPA-HQJQHLMTSA-N 322.630 3.057 10 10 DGCE Cc1ccc(O)c([C@H](C)N[C@H]2[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c1 398297106 DVFHCJBUAUIMPE-XJRBWHPUSA-N 322.452 3.482 10 10 DGCE Cc1cccc([C@@H](C)n2cc(C(=O)OC(C)(C)C)c(O)n2)c1O 2070639057 YUFVAODIVHPURQ-LLVKDONJSA-N 318.373 3.167 10 10 DGCE CC[C@H](NC[C@@H]1C[C@@H]1OC)c1cc(Br)ccc1O 2067900198 HGDWZRBKRHZPAZ-WFBYXXMGSA-N 314.223 3.230 10 10 DGCE CN(CC[C@H]1CCOC1)Cc1c(O)cccc1Br 2075517169 ZZXCIKWSHMKFSX-NSHDSACASA-N 314.223 3.013 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)c1cccn1Cc1ccccc1 2210528093 ACIZLVMMCVAUHX-HUUCEWRRSA-N 309.373 3.498 10 10 DGCE CSc1ncc(CN=c2[nH]c(N)cc3ccccc23)s1 2284731925 WUCXDRALLPMWIF-UHFFFAOYSA-N 302.428 3.029 10 10 DGCE COCCCN1C(=O)C(=Cc2ccc(F)cc2)SC1=S 2296664707 YYADCLDKFYYINK-UHFFFAOYSA-N 311.403 3.063 10 10 DGCE Cc1ccc(CN[C@@H]2CS[C@H](C)C2)c(O)c1Br 2307477295 KZMHFKCYFHHPRI-KOLCDFICSA-N 316.264 3.447 10 10 DGCE COc1ccc(N=NN(C)CCc2ccncc2)c(OC)c1 2330200006 KUYRTPGJLMZBBZ-UHFFFAOYSA-N 300.362 3.272 10 10 DGCE NN[C@@H](c1ccccc1O)c1c(Cl)cc(F)cc1Cl 2340795583 HPFMHKONUDAZBD-ZDUSSCGKSA-N 301.148 3.391 10 10 DGCE COc1ccc(N(C)Cc2csc(CNC3CC3)n2)cc1 52541722 UXSPYXSOLMIYKF-UHFFFAOYSA-N 303.431 3.040 10 10 DGCE Cc1ccc([N+](=O)[O-])cc1-c1noc(-c2sccc2O)n1 111688149 YOCXUMWJYKTBJA-UHFFFAOYSA-N 303.299 3.387 10 10 DGCE C[C@@H](N[C@@H]1CCCC[C@@H]1O)c1cc(Br)ccc1O 185444750 YYJBEATWRPKHHR-IUPBHXKESA-N 314.223 3.109 10 10 DGCE Cc1cccc(CN2CCC(Nc3nccs3)CC2)c1O 189949743 KMMWNCYRTZVHTC-UHFFFAOYSA-N 303.431 3.234 10 10 DGCE Cc1ccc([C@@H](C)NCC(=O)N2CCCc3ccccc32)c(O)c1 185192775 CVGUVEPHZJMVSV-OAHLLOKOSA-N 324.424 3.331 10 10 DGCE Oc1cccc(-c2nc(Cc3ccc(Cl)cc3)no2)c1O 126847372 HOJIEKGYWXTJJB-UHFFFAOYSA-N 302.717 3.392 10 10 DGCE NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(O)cc1)N2 226635696 BREQWFTZQOFGJT-IIDMSEBBSA-N 306.365 3.318 10 10 DGCE CCCS(=O)(=O)Nc1ccccc1C(=O)c1ccccc1 192628445 DDUJBOPPKIXAGH-UHFFFAOYSA-N 303.383 3.069 10 10 DGCE COc1ccc(N2CCCC2)cc1NC(=O)Cc1ccccc1 41372884 FHKXNDFMONRPDF-UHFFFAOYSA-N 310.397 3.477 10 10 DGCE CCN(CCN[C@@H](C)c1ccc(O)cc1O)C(=O)OC(C)(C)C 227651726 FZEVNNYCIOQLQF-LBPRGKRZSA-N 324.421 3.005 10 10 DGCE CCCN(CC(C)(C)O)c1c(Cl)cc(OC)cc1OC 2368270464 JXRTYCHPFCIMLU-UHFFFAOYSA-N 301.814 3.345 10 10 DGCE CCCOc1ccc(CN2CC[C@@H]3OCCC[C@@H]3C2)c(O)c1 93506768 FGWCLHMTEHWYBV-QAPCUYQASA-N 305.418 3.182 10 10 DGCE C[C@H](NC[C@H]1c2ccccc2C(=O)N1C)c1ccc(F)cc1O 528001021 GGPKJBZWKJQUSE-ZBEGNZNMSA-N 314.360 3.009 10 10 DGCE COc1cccc(CNC(=O)C/C=C\c2ccccc2F)c1O 255034425 ZWUHDOIUFBRNFU-ALCCZGGFSA-N 315.344 3.260 10 10 DGCE Cc1cncc(/C=C\C(=O)N2CCc3c(F)cc(F)cc32)c1 255355165 RXLDTKBEZWCPKH-IHWYPQMZSA-N 300.308 3.271 10 10 DGCE Cc1[nH]nc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1C 265279447 XPCCZCDUBZAYHW-UHFFFAOYSA-N 314.433 3.143 10 10 DGCE Cc1cc(C(=O)OC[C@@H]2CC2(F)F)c(C)n1-c1ccccn1 816421227 KASNMZRGFAIGPW-LBPRGKRZSA-N 306.312 3.301 10 10 DGCE O=C1N[C@H](c2ccc(Br)cc2O)[C@H](C2CCC2)O1 575255591 RHJMWGCSEATLAW-NEPJUHHUSA-N 312.163 3.104 10 10 DGCE CC(C)N1CCC[C@@H](CNC/C=C/c2ccc(N(C)C)cc2)C1 835038584 UBTQVEJJWAEVGR-XZXOBPBMSA-N 315.505 3.476 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1 835040094 OAVBVNXYSSCFAL-NQVSYGGRSA-N 300.446 3.169 10 10 DGCE COC(=O)/C(C)=C/CN(Cc1ccccc1O)C1CCCC1 748818217 SDKPZNBJUDEAKC-SDNWHVSQSA-N 303.402 3.256 10 10 DGCE COc1ccc(N(Cc2nsc(N(C)C)n2)CC(C)C)cc1 747682457 LFCXDKOKNLKKIM-UHFFFAOYSA-N 320.462 3.275 10 10 DGCE Oc1ccc(Cl)c(F)c1CN[C@H]1c2ccccc2CC[C@H]1O 922991001 UNVJACGENDHCNT-WBVHZDCISA-N 321.779 3.323 10 10 DGCE Cc1csc([C@H](C)N[C@H](C)c2cc([N+](=O)[O-])ccc2O)n1 756537106 VWKCQFGJZKYOAV-ZJUUUORDSA-N 307.375 3.477 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H](F)C[C@H]1COc1ccc(N)cc1 1953013066 QDSPFWXGPNXLQU-OCCSQVGLSA-N 324.396 3.385 10 10 DGCE CCN(C)c1ccc([C@@H](C)N[C@@H](COC)C2CCOCC2)cc1 850491537 FAFBHTSFWOHMSQ-BEFAXECRSA-N 320.477 3.235 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@H]2CCN(C(C)(C)C)C2)cc1 850351015 JTCQYCFTRKUNFB-LXXRFIIISA-N 301.478 3.228 10 10 DGCE CC(C)[C@@H]1C[C@@H](CNC(=O)N[C@H](C)c2ccccc2O)CCO1 868671731 CMIOCPSQIUXEAU-KEYYUXOJSA-N 320.433 3.204 10 10 DGCE C[C@@H](NC(=O)NC[C@@H]1CCC2(CCCC2)O1)c1ccccc1O 868755718 KNDQIEXKYNTFSU-KGLIPLIRSA-N 318.417 3.244 10 10 DGCE C[C@@H](NC(=O)c1c(O)cc(F)cc1F)c1ccc(N(C)C)cc1 775404826 PHINTCGGKDLCAZ-SNVBAGLBSA-N 320.339 3.227 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)Cc1ncc(COC)s1 775636864 IIWXMWAMKPNYEN-UHFFFAOYSA-N 319.474 3.378 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(F)cc(Cl)c1 773747694 FBCQZIWHNQEHHY-SECBINFHSA-N 323.751 3.251 10 10 DGCE OC[C@@H]1C[C@H]2CC[C@H]1N(Cc1ccc(N3CCCCC3)cc1)C2 895919502 GJYAKLKIFSSFOW-WSTZPKSXSA-N 314.473 3.270 10 10 DGCE CCCC(C)(C)CC(=O)NCc1ccc(N2CCOCC2)cc1 784888817 JSFHAHULXFMPCD-UHFFFAOYSA-N 318.461 3.356 10 10 DGCE CN[C@@H](C)c1ccc(N2CCP(C)(=O)CC2)c(Cl)c1 2115348173 AHAKFISGLABQKV-NSHDSACASA-N 300.770 3.433 10 10 DGCE O=C1N[C@H](C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CO1 1353787118 AVIZLSCUFVSOJI-AWEZNQCLSA-N 310.313 3.149 10 10 DGCE CN(c1ccc(CNC(=O)[C@@H]2C[C@H]2F)cc1)C1CCCCC1 1464544267 XIBPVAZTUURLPN-IAGOWNOFSA-N 304.409 3.430 10 10 DGCE CSc1ccc(O)c(C(=O)N[C@@H](C)c2ccccc2O)c1 1557969633 YINPKQQTTKOUJQ-JTQLQIEISA-N 303.383 3.311 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2CCc1ccc2c(c1)CCO2 1559714424 WDBYXNDAKZJJTN-UHFFFAOYSA-N 324.424 3.129 10 10 DGCE CC(C)(C)c1ccc(CC(=O)NCc2c(O)cccc2O)cc1 1639292560 HZOVZBNTVOKYAG-UHFFFAOYSA-N 313.397 3.254 10 10 DGCE CC[C@H](C)N(CCOC)Cc1cc(Cl)cc(OC)c1O 228629726 PBEJSMBKXPDTIR-NSHDSACASA-N 301.814 3.301 10 10 DGCE COC(=O)c1cc(OCc2ccccc2OC)ccc1N(C)C 1644179025 LEQXBJBLWMCAFD-UHFFFAOYSA-N 315.369 3.127 10 10 DGCE C/C(=C\c1cccc(Cl)c1)C(=O)NCc1cc(O)ccc1O 1643881942 LJJGYGUKXPDUHU-YRNVUSSQSA-N 317.772 3.471 10 10 DGCE CSc1c(F)cccc1C(=O)NCc1cc(C)ccc1O 1645801020 ZVSGPLQWDBDXNG-UHFFFAOYSA-N 305.374 3.492 10 10 DGCE Cc1nnc(N2CCC[C@@H]2C)n1CCCSc1nccs1 1742820161 OMWHJTYSDLPQOH-NSHDSACASA-N 323.491 3.214 10 10 DGCE CNCc1ccc(N2CCOC(C)(C)C2)c(C(F)(F)F)c1 163679832 SNEHVOWLBJXBSU-UHFFFAOYSA-N 302.340 3.040 10 10 DGCE CC(C)N1C(=O)/C(=C\c2ccccc2[N+](=O)[O-])SC1=S 1858586874 KDFLUWXIHKUDQY-YRNVUSSQSA-N 308.384 3.204 10 10 DGCE Cc1cc(=Nc2ccc(C(=O)O)cc2O)[nH]c(-c2ccccc2)n1 1859858482 URHWAARXAYVYSA-UHFFFAOYSA-N 321.336 3.021 10 10 DGCE CCOC(=O)N1CCC(N=NNc2cccc(OC)c2)CC1 1860490951 DWSCDTNAKDZSGA-UHFFFAOYSA-N 306.366 3.095 10 10 DGCE CC(C)NC(=O)c1ccc2[nH]c(-c3ccc(N(C)C)cc3)nc2c1 1872731511 YBEVYLAAFBUYIS-UHFFFAOYSA-N 322.412 3.434 10 10 DGCE COC(=O)c1cccc(C2(/N=N/C(=O)OC(C)(C)C)CC2)n1 699289674 TWOWZPYMWLXIFQ-ISLYRVAYSA-N 305.334 3.245 10 10 DGCE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)[C@H]1CCCS1 1889642846 VKPUUERUBJDADS-BHYGNILZSA-N 316.470 3.187 10 10 DGCE CN[C@H](c1ccc(N(C)C)cc1)[C@H](C)N(C)C(=O)OC(C)(C)C 1977946875 YXELMPALCDMDDQ-BBRMVZONSA-N 321.465 3.269 10 10 DGCE CC[C@H]1[C@@H](N[C@@H](C)c2ccccc2O)CN1C(=O)OC(C)(C)C 1991576245 NVWCCVOGCYHEAM-QEJZJMRPSA-N 320.433 3.441 10 10 DGCE COc1ccc(CNCc2ccc(Br)cc2)c(O)c1 48607911 VFIAFAOEVYEAOL-UHFFFAOYSA-N 322.202 3.453 10 10 DGCE COC[C@@H](C)CCNCc1cc(Br)cc(F)c1O 2031863497 BIOBGAMNDMXBEH-VIFPVBQESA-N 320.202 3.056 10 10 DGCE NCc1ccc(N2CCC(C(F)F)CC2)cc1Br 307863103 KLOROXXWAQMWGP-UHFFFAOYSA-N 319.193 3.389 10 10 DGCE Oc1c(F)cc(Br)cc1CNC[C@H]1C[C@H]1C1CC1 715719268 RHSXDNJKIKCXHA-SKDRFNHKSA-N 314.198 3.430 10 10 DGCE Oc1ccc(-n2ncc(Br)c2C2CCC2)cc1O 2069777487 FAYXHVNLGJMWAG-UHFFFAOYSA-N 309.163 3.314 10 10 DGCE CCc1nn(Cc2cc(C)ccc2O)c(C(F)(F)F)c1O 2078882280 UXTKIEZGPXWZSQ-UHFFFAOYSA-N 300.280 3.232 10 10 DGCE CC[C@H](c1ccc(C)cc1O)n1nc(C2CCC2)c(CN)c1N 2079014773 ILYODYYHOMJRSV-OAHLLOKOSA-N 314.433 3.205 10 10 DGCE COc1ccc([C@H](C)n2nc(C3(C)CC3)c(N)c2Cl)c(O)c1 2080052997 QZBBYVXIBWTWKD-VIFPVBQESA-N 321.808 3.494 10 10 DGCE CCCN[C@]1(C(=O)O)CC[C@@H](Sc2nccs2)[C@@H]1CC 2179107386 SVDWCSILRMXUNV-MISXGVKJSA-N 314.476 3.247 10 10 DGCE COCc1nc(CN(C)c2ccc(CO)cc2Cl)cs1 2188820825 QONZUMGFBOXNBK-UHFFFAOYSA-N 312.822 3.072 10 10 DGCE CCN[C@@H](CC1OCCO1)c1ccc(N2CCCCC2)cc1 2106822692 HUXJCVJMBDRNFX-KRWDZBQOSA-N 304.434 3.091 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)c2ccnc(Br)c2)CC1 2099328881 HJTYQDDQKFUFRK-SNVBAGLBSA-N 324.182 3.149 10 10 DGCE C[C@@H]1CN(Cc2ccc(N)cc2)CCCN1C(=O)OC(C)(C)C 2210261068 HDTVRLWIYMEXAQ-CQSZACIVSA-N 319.449 3.100 10 10 DGCE COc1ccnc(C)c1NCc1ccc(Br)cc1O 2230134975 ZCDXAPFBUWLSAF-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE CC[C@H]1CC[C@@H]1NCc1c(Br)ccc(OC)c1O 2220462766 QOTWUZVFHDCUCV-CABZTGNLSA-N 314.223 3.442 10 10 DGCE C[C@H](N)c1ccc(N(C)C[C@@H](F)[C@@H]2CCOC2)c(Cl)c1 2238325164 YGJUVXKVHXTKFH-ZKYQVNSYSA-N 300.805 3.171 10 10 DGCE Cc1cc(O)c([C@@H](C)N(C)[C@@H]2COCC2(F)F)cc1Cl 2286444717 OZJURGNQOCRAIV-NOZJJQNGSA-N 305.752 3.381 10 10 DGCE CC1=NN(c2ccccc2)C(=O)C1=CNOCc1ccccc1 2297314984 UHUIVJNONTWXKC-UHFFFAOYSA-N 307.353 3.014 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)NCCc1ccc(Cl)cc1 2307978397 IKNFTBSCXKLESD-UHFFFAOYSA-N 317.772 3.123 10 10 DGCE Cc1ccc(CNC[C@@H]2C[C@@H]2C(F)F)c(O)c1Br 2327611667 FSONFKOPYCVRDZ-UWVGGRQHSA-N 320.177 3.454 10 10 DGCE Nc1ccc(CCC(=O)NCc2ccc(F)c(Cl)c2)cc1 53147591 VFLDYBJVKWBBEM-UHFFFAOYSA-N 306.768 3.310 10 10 DGCE C[C@H](NC[C@@H](C)N(C)C(=O)OC(C)(C)C)c1ccc(O)cc1O 304317724 ROYXQPJXQMHWRQ-NEPJUHHUSA-N 324.421 3.004 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)Nc1c(C)n[nH]c1C 171788261 KBTNGWDMYHXESQ-UHFFFAOYSA-N 302.378 3.176 10 10 DGCE Cc1ccc2c(c1)[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@@H](C)C2 183167971 IPDPTYKAHJUYSC-NLQMSXMLSA-N 323.392 3.469 10 10 DGCE C[C@H](Nc1ccc(C(N)=O)c(Cl)c1)c1ccc(O)cc1O 37121379 MCAXIGIQSLRPON-QMMMGPOBSA-N 306.749 3.023 10 10 DGCE COc1ccc(CN2CCCN(c3ccccc3)CC2)c(O)c1 130791823 LPXWILRVGSADGP-UHFFFAOYSA-N 312.413 3.113 10 10 DGCE COC(=O)c1ccc(Cl)c(NCc2cccc(O)c2O)c1 41117208 ZIPXBLOVISXGHM-UHFFFAOYSA-N 307.733 3.150 10 10 DGCE CN(Cc1ccc(N)cc1)c1ncc(Br)cc1F 234305217 AAVSTXYLNGIJHX-UHFFFAOYSA-N 310.170 3.202 10 10 DGCE O=C(CN1CC[C@H](O)C1)Nc1ccc(N=Nc2ccccc2)cc1 254976430 ZDFACFZCRYLBCH-KRWDZBQOSA-N 324.384 3.107 10 10 DGCE Cc1noc(C2CCC(N[C@@H](C)c3ccccc3O)CC2)n1 360711045 JFYMAHBTPCPNOM-XGNXJENSSA-N 301.390 3.461 10 10 DGCE OCC1(CNCc2cc(Cl)c(F)cc2O)CC2(CCC2)C1 816593957 KXOKEKBDYMCBLG-UHFFFAOYSA-N 313.800 3.217 10 10 DGCE CC[C@H](N[C@H]1C[C@H]2CC[C@H]1N(C(=O)OC)C2)c1ccccc1O 818358665 AIKIZQHQQDTINO-SYAUCNOPSA-N 318.417 3.052 10 10 DGCE COC[C@@H](OC(=O)c1cc(C)n(-c2ccccn2)c1C)C(C)C 747164311 SJILUEOWGRKOMU-MRXNPFEDSA-N 316.401 3.317 10 10 DGCE Cc1cc(O)c(CN2CCC[C@@H](N3CCCC3)C2)c(Cl)c1 840910577 JRIMJGRNSMSPDE-CQSZACIVSA-N 308.853 3.414 10 10 DGCE C[C@@H](NCCC1(CO)CCC1)c1cc2c(cc1O)CCCC2 846211664 XYWYTBPOPNQDAH-CQSZACIVSA-N 303.446 3.474 10 10 DGCE C[C@H](NC(=O)N[C@@H]1CCCc2cccnc21)c1ccccc1O 927382405 RORCHXWGMXAIDT-SWLSCSKDSA-N 311.385 3.225 10 10 DGCE Oc1ccc(Cl)c(F)c1CNCCC1SCCS1 850407199 SLVBNPSOBFJTIO-UHFFFAOYSA-N 307.843 3.471 10 10 DGCE CCOc1ccc(O)c(CN[C@@H](c2ccccc2)[C@H](C)O)c1 850420599 PUCRBIPBKPZWFE-SCLBCKFNSA-N 301.386 3.003 10 10 DGCE Cc1nn(C)c(C)c1CCCNCc1ccc2c(c1)CCCO2 921967952 UKAQJLDQAWOAMF-UHFFFAOYSA-N 313.445 3.084 10 10 DGCE C[C@H](NC(=O)N[C@@H]1CC12CCCC2)c1ccc(N(C)C)cc1 759166423 JKSDGSBBDHYWKU-XJKSGUPXSA-N 301.434 3.446 10 10 DGCE C[C@H](NC(=O)NCCSCC(F)(F)F)c1ccccc1O 868467833 PZWJIUXTSMKCMY-VIFPVBQESA-N 322.352 3.048 10 10 DGCE Fc1ccc(CN2CCNc3cc4c(cc32)OCCO4)cc1 76936629 ZSJIMQJMKIENFS-UHFFFAOYSA-N 300.333 3.029 10 10 DGCE CCC(C)(C)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 1134681972 OYSJPTNYHNYDIZ-QGZVFWFLSA-N 319.493 3.298 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1C(F)(F)F)C[C@@H](C)O 792810745 XQTKRMJEOUMJRQ-GFCCVEGCSA-N 318.383 3.363 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)Nc2cncc3c2CCCC3)cc1 1147247888 BERSPNUPLOGIJI-UHFFFAOYSA-N 323.356 3.375 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](CO)CC(C)C 1146259677 JJMYRKTUNQGAEQ-AWEZNQCLSA-N 320.458 3.292 10 10 DGCE Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)o1 758164475 YECQVODXHRPMLJ-UHFFFAOYSA-N 322.169 3.401 10 10 DGCE Cc1cccc(O)c1CNCCCCNC(=O)OC(C)(C)C 1958773783 XOCQKUOEYLJNQQ-UHFFFAOYSA-N 308.422 3.095 10 10 DGCE Cc1cc2cc(CNC(=O)N3Cc4cccc(O)c4C3)ccc2[nH]1 1312653474 OGYSHWSWJSXTHN-UHFFFAOYSA-N 321.380 3.407 10 10 DGCE CN(CCN=[N+]=[N-])C(=O)COc1ccc(Cl)c(Cl)c1 1912174110 VDGHBCXHLXKBAM-UHFFFAOYSA-N 303.149 3.141 10 10 DGCE C/C(=C\C(=O)N(CC(F)F)c1ccccc1)c1cnccn1 1435396158 QAOAFNOFHCITNU-FMIVXFBMSA-N 303.312 3.178 10 10 DGCE CC1=NNC(=O)/C1=C/c1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1 538252 XKLLZIVCZOZFFL-MDWZMJQESA-N 311.297 3.052 10 10 DGCE Cc1cc(CO)ccc1N(Cc1ccccc1)[C@H](CO)C1CC1 1915277718 GXGICSUNUIFBMD-HXUWFJFHSA-N 311.425 3.265 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)NCC2(c3ccccc3)CC2)cc1 1629136218 QRVRZKBCRVQHTD-UHFFFAOYSA-N 322.368 3.311 10 10 DGCE COc1cc(CSc2ncc(-c3ccccc3)n2C)on1 1559342227 VCRLGQWQYIBSHD-UHFFFAOYSA-N 301.371 3.376 10 10 DGCE O=C(NC1(c2ccccc2Cl)CC1)c1cccc(O)c1O 1630783341 SFWZWFJFMJVPGQ-UHFFFAOYSA-N 303.745 3.170 10 10 DGCE CCN(CC)c1ccc(CNC(=O)c2ccns2)cc1F 1633263538 JGCICJLTBQGDFC-UHFFFAOYSA-N 307.394 3.058 10 10 DGCE CC1(CNc2ccc(N)cc2)CC(NC(=O)OC(C)(C)C)C1 1959359121 GOXUVANJVLSEFI-UHFFFAOYSA-N 305.422 3.374 10 10 DGCE CCCN[C@H](c1ccccc1O)[C@@H](C)NC(=O)OC(C)(C)C 1928475747 BDZAXLHGGREFMW-DOMZBBRYSA-N 308.422 3.346 10 10 DGCE CCN(C[C@@H]1CCC[C@@]2(CCOC2)O1)c1ccc(OC)cc1 1657657933 WFGLOWQPEBRAOK-ROUUACIJSA-N 305.418 3.250 10 10 DGCE C[C@H](NC(=O)NCCCSc1nccs1)C(C)(C)C 153522303 FENSNDMOXAXPFO-JTQLQIEISA-N 301.481 3.359 10 10 DGCE Cc1ccc(O)c(CN[C@H](C)c2cn(-c3ccccc3)nn2)c1 154127710 JJGCRTNYFPZDKL-CQSZACIVSA-N 308.385 3.132 10 10 DGCE CCN(CC)c1ccc(CNCC(=O)N2CCCC[C@@H]2C)cc1 1857866696 XOYOQQDTWJESRH-INIZCTEOSA-N 317.477 3.023 10 10 DGCE Oc1ccc(Br)cc1CNC[C@H]1C[C@]12CC2(F)F 1876068301 HDQYSLJPJWGGQE-SKDRFNHKSA-N 318.161 3.290 10 10 DGCE C[C@@H]1CCN(CCCCN=[N+]=[N-])CCN1C(=O)OC(C)(C)C 1962288150 RZGCVFQYAXMDSW-CYBMUJFWSA-N 311.430 3.408 10 10 DGCE CC[C@H](NCCc1ncc[nH]1)c1cc(Br)ccc1O 139110590 QJRUEXQADNLCNH-LBPRGKRZSA-N 324.222 3.161 10 10 DGCE COc1ccc(Br)c(CNC[C@H](C)C(F)F)c1O 1967783754 DGANSGZAQFQYFO-ZETCQYMHSA-N 324.165 3.154 10 10 DGCE CC(C)n1cncc1CNCc1c(O)cccc1Br 1973553713 JJYYUGDFACRUMQ-UHFFFAOYSA-N 324.222 3.222 10 10 DGCE CCN1CCc2cc([C@@](C)(N)COCc3ccccc3)ccc21 1977957976 KDFREZMZRPELHA-FQEVSTJZSA-N 310.441 3.460 10 10 DGCE Cc1cccc(CN[C@H](C)[C@H]2CCN2C(=O)OC(C)(C)C)c1O 1994449255 CADBUIPBIMULIG-UKRRQHHQSA-N 320.433 3.188 10 10 DGCE C[C@@H]1CCOCCN1[C@H](C)c1cc(Br)ccc1O 2031609010 IADHCJKMABWNAT-GHMZBOCLSA-N 314.223 3.327 10 10 DGCE C[C@H]1CN(c2ccc(CO)c(Cl)c2)C[C@@](C)(C(F)F)O1 705073441 DKHWULWHIQYARG-XPTSAGLGSA-N 305.752 3.081 10 10 DGCE OCc1ccc(N2CCC[C@@H](CF)C2)c(Br)c1 711523048 TUTGUBTXDPJTQN-NSHDSACASA-N 302.187 3.127 10 10 DGCE C[C@H]1C[C@@H](N(C)Cc2cccc(Br)c2O)CCO1 721471554 DEBYWMPQUWQYDI-JQWIXIFHSA-N 314.223 3.154 10 10 DGCE COC(=O)c1cc(C2CCC2)nn1Cc1cccc(Cl)c1O 2069972839 IBPFEGUJWQOUNL-UHFFFAOYSA-N 320.776 3.345 10 10 DGCE O=[N+]([O-])c1ccc(Cn2ncc(C3CCC3)c2Cl)c(O)c1 2070219183 OGYCZODHYUPEID-UHFFFAOYSA-N 307.737 3.466 10 10 DGCE OCC1CCC(F)(CNCc2cccc(Cl)c2O)CC1 2178643194 DHFJZILLZQEGMR-UHFFFAOYSA-N 301.789 3.026 10 10 DGCE CN[C@@H](C)c1ccc2c(c1)CCN2CC1(Br)CC1 2049201488 WIJALKCQQYCOSI-NSHDSACASA-N 309.251 3.257 10 10 DGCE CNCc1ccc(N(C)C[C@@]2(C)CSCCO2)cc1Cl 2201258423 XNZPKLAKSBFILX-HNNXBMFYSA-N 314.882 3.018 10 10 DGCE N=C(N)c1cnc(Sc2ccccc2Br)s1 2246259587 GTVOJNVYXFRZKV-UHFFFAOYSA-N 314.233 3.341 10 10 DGCE CS(=O)(=O)c1cscc1NCc1cccc(Cl)c1O 2272712518 BIUCERGBNXUREK-UHFFFAOYSA-N 317.819 3.123 10 10 DGCE O=C(C=Cc1cncc(O)c1)N1CCc2ccc(Cl)cc21 2306247577 WZDFFZJQOUDSSC-UHFFFAOYSA-N 300.745 3.043 10 10 DGCE COc1c(F)cc(NC(=O)C=Cc2ccc(O)c(O)c2)cc1F 2307986544 HDPOLICNSSZVER-UHFFFAOYSA-N 321.279 3.037 10 10 DGCE CNCc1ccc(N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)c(Br)c1 2308722627 NNQXWIGEFAVCSY-ASHKBJFXSA-N 307.235 3.013 10 10 DGCE Cc1ccc(CN(C)[C@@H]2CCO[C@H]2C)c(O)c1Br 2327569275 VTDXNCAJOVJGJE-CMPLNLGQSA-N 314.223 3.072 10 10 DGCE Cc1ccc(CN2C[C@H]3C[C@H]2[C@@H]2C[C@H]32)c(O)c1Br 2327598850 HLUFZBKKAKRVSK-LPWJVIDDSA-N 308.219 3.303 10 10 DGCE Cc1ccc(CN[C@@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]4C3)c(O)c1Br 2327618685 MODFDVLJAGNCTC-YGEZULPYSA-N 308.219 3.207 10 10 DGCE COc1cc(C(=O)N2CCC[C@H]2CN=[N+]=[N-])sc1Cl 2340262462 GNPACOCETBAUFW-ZETCQYMHSA-N 300.771 3.325 10 10 DGCE CCCO[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2O)CC1 170989198 FXOFDHXWEHCLJD-HNNXBMFYSA-N 308.378 3.082 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)[C@H]1CCC[C@@H](F)C1 1348353608 GJJIUCCKFXPVEU-GXTWGEPZSA-N 302.349 3.085 10 10 DGCE C[C@H]1CN(c2ccc(OC(F)(F)F)c(Cl)c2)[C@H](C)CN1 401296270 OJACKRLOCHIBGI-DTWKUNHWSA-N 308.731 3.425 10 10 DGCE C[C@@H](Nc1cncc(Br)c1)c1c(O)cccc1O 305943219 GFTGKKASQUPXDW-MRVPVSSYSA-N 309.163 3.428 10 10 DGCE COC[C@H](NCc1ccc2c(c1)CCN2C)c1ccc(C)o1 124198469 MBWGEIWGFYFZCK-INIZCTEOSA-N 300.402 3.058 10 10 DGCE O=C(O)[C@@H]1[C@@H]2CC[C@@H](C2)N1Cc1cc(Cl)cc(Cl)c1O 2357922591 UKUMNJKPAMGKPQ-VHRDEZTHSA-N 316.184 3.137 10 10 DGCE CCCOc1ccc(CN2CCC(N3CCCC3)CC2)c(O)c1 127754003 HOXREQDIAAAWDI-UHFFFAOYSA-N 318.461 3.241 10 10 DGCE CC[C@@H](NCCCNC(=O)OC(C)(C)C)c1ccccc1O 155648048 CWLJGQPKWIWQPC-CQSZACIVSA-N 308.422 3.348 10 10 DGCE C[C@H](N[C@H](C)CCc1ccccc1)C(=O)c1ccc(O)c(O)c1 34190058 OCQANZCXFMVTBZ-KGLIPLIRSA-N 313.397 3.280 10 10 DGCE CCNC(=O)c1ccc(NCc2cc(Cl)ccc2O)cc1 37089577 CGLKIRKGHJTBNJ-UHFFFAOYSA-N 304.777 3.407 10 10 DGCE Cc1n[nH]c(C)c1NC(=O)/C=C\c1ccc2c(c1)CCCN2C 98055630 XUTLOTLCLLCVEY-CLFYSBASSA-N 310.401 3.061 10 10 DGCE CC[S@](=O)[C@@H]1CCC[C@H](N[C@H](C)c2cc(C)ccc2O)C1 248526218 UWXNLBUGRIUJOJ-RPNZERQGSA-N 309.475 3.431 10 10 DGCE CCN(CC)c1ccc([C@@]2(N)CCCC3(CC2)OCCO3)cc1 2163138867 ROPHXHIKJINSON-GOSISDBHSA-N 318.461 3.394 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1C[C@@H]2C[C@@H]2C1 824859172 KMKRJCIWJQLXJW-BJWYYQGGSA-N 315.461 3.471 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)N[C@H]1COCC1(C)C 838702129 RYNNEKAMYUHZST-INIZCTEOSA-N 320.433 3.129 10 10 DGCE C[C@H](NC[C@H]1C[C@@H](N(C)C)C1)c1cccc(C(F)(F)F)c1O 848559717 YFQJHSAHRNCQMT-SDDRHHMPSA-N 316.367 3.402 10 10 DGCE COc1ccc2ccc(O)c(CN3C[C@@H]4C[C@H]3CS4)c2c1 840169072 RCWUSYCQHHBZGC-JSGCOSHPSA-N 301.411 3.244 10 10 DGCE C[C@H](N[C@H](C)[C@](C)(O)c1ccccc1)c1cc(F)ccc1O 846186534 GXHFRWCPCPPBRF-JCGVRSQUSA-N 303.377 3.478 10 10 DGCE Cc1ccc([C@H](C)NC[C@@H]2CCC3(CCOCC3)O2)c(O)c1C 927012946 HXSIYBVSTVZUPB-HOTGVXAUSA-N 319.445 3.388 10 10 DGCE Cc1ccc(C(=O)N2CCc3ccsc3[C@H]2C)c(O)c1O 921510482 WMVSRFQQXWDIQS-SNVBAGLBSA-N 303.383 3.227 10 10 DGCE CCN(CC)c1ccc(CNC[C@@H]2C=C[C@H]3C[C@@H]2CO3)cc1 922723498 MWESYHFCUKYNTQ-SCTDSRPQSA-N 300.446 3.214 10 10 DGCE CC[C@@H](NC[C@H]1CCC2(CCOCC2)O1)c1ccc(F)cc1O 927015940 RTKVIWWDSMNCFA-GDBMZVCRSA-N 323.408 3.300 10 10 DGCE CCCCN(CC)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 852453374 LSAOVSLNWBPTSI-HNNXBMFYSA-N 319.449 3.106 10 10 DGCE CCN(CC)c1ccc(CN[C@@H]2C[C@@H](C)n3ncnc32)cc1F 850351655 GLIBISCRTYDPEO-IUODEOHRSA-N 317.412 3.059 10 10 DGCE C[C@H](NC(=O)NCC[C@@]1(C)C[C@@]1(F)Cl)c1ccccc1O 868742847 DSSMXMDXTMCUMU-LKTVYLICSA-N 314.788 3.457 10 10 DGCE CO[C@@H](C(=O)Nc1c(Cl)ccc2nonc12)C1CCCC1 1118784349 RAFJOGZLXSJOOV-CYBMUJFWSA-N 309.753 3.020 10 10 DGCE C/C(=C/c1cccnc1)C(=O)NCc1ccc(N(C)C)c(F)c1 1125469663 XNBSYOFPKKELDS-LCYFTJDESA-N 313.376 3.006 10 10 DGCE CN(C)c1ccc(-c2nc(C3CC3)c(CC(=O)O)s2)cc1 82436613 DBNHWXHMJHIDKZ-UHFFFAOYSA-N 302.399 3.381 10 10 DGCE C[C@@H](NC[C@@](C)(O)C1CCCCC1)c1cc([N+](=O)[O-])ccc1O 790703840 UQIUGPIBIKKEMV-SJKOYZFVSA-N 322.405 3.282 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)c1cccc(Br)c1 691690173 RBJWHLKFJNPTPR-LLVKDONJSA-N 309.167 3.364 10 10 DGCE Brc1cn2ccnc2c(Sc2nccs2)n1 86978729 HDLYOGIQFXRGBZ-UHFFFAOYSA-N 313.205 3.100 10 10 DGCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H]2CC[C@H]2C)c1 1157138001 VSVQOOXXTRQMOA-XIKOKIGWSA-N 310.397 3.435 10 10 DGCE COC[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@@H]1C 2118641884 ZJQRHWOWLUBOHX-ONGXEEELSA-N 304.217 3.413 10 10 DGCE C[C@H](CCc1ccc(F)cc1)C(=O)NCc1cccc(O)c1O 1347235345 UXWCYABYTLHRPX-GFCCVEGCSA-N 317.360 3.122 10 10 DGCE [N-]=[N+]=NCCCNC(=O)C=Cc1ccccc1Br 1911873537 ZJROPSOKTFGPFX-UHFFFAOYSA-N 309.167 3.279 10 10 DGCE CN(CCN=[N+]=[N-])C(=O)C=Cc1ccc(Br)s1 1912159142 DINPAUWMJJLWRQ-UHFFFAOYSA-N 315.196 3.293 10 10 DGCE CCCN1Cc2cccc(NC(=O)c3cccc(O)c3O)c2C1 1443084900 ADQGISOREJTEKX-UHFFFAOYSA-N 312.369 3.076 10 10 DGCE CC[C@H](O)CN(Cc1ccccc1)c1ccc(OC)cc1N 1915428114 ZBAHVJVULUICRC-HNNXBMFYSA-N 300.402 3.055 10 10 DGCE CC1(C)CO[C@H](CC(=O)NCc2c(O)ccc3ccccc23)C1 1456310164 OVCHJRYUCNNZNH-CQSZACIVSA-N 313.397 3.367 10 10 DGCE Cc1ccc(C2=CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)cc1 1626193449 DWTDAPOCXDCFOB-UHFFFAOYSA-N 323.392 3.265 10 10 DGCE O=C(Cc1coc2cc(F)ccc12)NCc1c(O)cccc1F 1645048081 GDCQERAVFQJIDA-UHFFFAOYSA-N 317.291 3.276 10 10 DGCE COc1ccc(C(=O)NCc2c(O)ccc3ccccc23)c(O)c1 1645441207 WFLBIIWXFHZLDC-UHFFFAOYSA-N 323.348 3.190 10 10 DGCE C[C@@H](Oc1ccc(N)cc1)C(=O)NCc1ccccc1Cl 1860082596 OMDILFNELNMAMX-LLVKDONJSA-N 304.777 3.006 10 10 DGCE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(CCCN=[N+]=[N-])C1 1962287466 IHGQMNMVCZOAKR-STQMWFEESA-N 311.430 3.312 10 10 DGCE CN(Cc1cc(Cl)cc(Cl)c1O)[C@@H]1COCC1(F)F 1888232728 DCETWNKYPHVKSW-SNVBAGLBSA-N 312.143 3.165 10 10 DGCE Cc1csnc1CNCc1ccc(Br)cc1O 1947785319 CTLROTUKUUKCSV-UHFFFAOYSA-N 313.220 3.209 10 10 DGCE COc1ccc(Br)c(CN[C@H]2CC[C@@H]2C)c1O 1964061770 KBVUJXBVBLDYQP-KWQFWETISA-N 300.196 3.051 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CCN(c2ccc(N)cc2)CC1(C)C 1977969689 DLNCIOHXJICEKI-HNNXBMFYSA-N 319.449 3.398 10 10 DGCE CN(C)c1ccc([C@]2(O)CCCN(Cc3ccccc3)C2)cc1 1977940040 UOCGFABORALIQY-FQEVSTJZSA-N 310.441 3.236 10 10 DGCE CN[C@H](c1sccc1Cl)[C@H](O)c1ccc(N(C)C)cc1 2148574659 UARFZKJBSQSOLC-UONOGXRCSA-N 310.850 3.462 10 10 DGCE CN[C@@H](C)c1cnc(Sc2nnc(SC)s2)s1 1997410779 JMFLFCHNDLISHV-YFKPBYRVSA-N 304.491 3.148 10 10 DGCE C[C@@H](CN(C)c1ccc(CN)c(Br)c1)C(F)F 2012195962 NAMRWRHVFBABHL-QMMMGPOBSA-N 307.182 3.245 10 10 DGCE CO[C@H]1CCCN(Cc2c(O)cccc2Br)[C@H]1C 2037813522 VFMGUUMSZYMGCY-HZMBPMFUSA-N 314.223 3.154 10 10 DGCE CN(C[C@@H]1CC[C@H]2C[C@H]21)c1ccc(CN)c(Br)c1 2040240401 MTRMFOBMLGTNKJ-VHRBIJSZSA-N 309.251 3.390 10 10 DGCE CC(C)NCc1ccc(N2C[C@H]3C[C@H]3C2)cc1Br 379551676 QXCLFFYFKGBZDT-BETUJISGSA-N 309.251 3.403 10 10 DGCE Cc1cc(O)c([C@H](C2CC2)n2nc(C(C)C)c(N)c2N)cc1C 2079958312 UEOHKZZWYQGMKN-KRWDZBQOSA-N 314.433 3.493 10 10 DGCE CN(C[C@H]1C[C@H]1C(F)F)c1ccc(CO)cc1Br 2041776261 RRSQDGNTFRUXHJ-NXEZZACHSA-N 320.177 3.279 10 10 DGCE CC[C@H](c1cc(Br)ccc1O)N(C)[C@H]1CC[C@H]1N 2043165242 KPTHIBSSZLXFAU-UPJWGTAASA-N 313.239 3.027 10 10 DGCE C[C@H]1N(c2cc(Br)c(CN)cc2F)CCC1(F)F 2052007077 ZEQKIEGTZUZOMM-SSDOTTSWSA-N 323.156 3.281 10 10 DGCE CN[C@@H](c1ccccc1O)c1cc(OC)ccc1Br 2090039365 GKQJSDVRTXRVGY-HNNXBMFYSA-N 322.202 3.472 10 10 DGCE CN[C@H](C)c1ccc(N(C)C[C@]2(F)CCOC2)cc1Cl 2238284501 KQBWXMXENZAGII-IAQYHMDHSA-N 300.805 3.185 10 10 DGCE CSc1ncc(CNCc2ccn(C3CCCC3)n2)s1 2284629951 LFKBECKPUOCUCA-UHFFFAOYSA-N 308.476 3.466 10 10 DGCE COc1ccc(N2N=C(C)C(=C(C)Nc3ccccn3)C2=O)cc1 2297471963 HYPNIMDYWMOGHY-UHFFFAOYSA-N 322.368 3.199 10 10 DGCE COc1cccc(CNC(=O)C=C(C)c2cccc(F)c2)c1O 2297535933 SSSIVNXBPMULLR-UHFFFAOYSA-N 315.344 3.260 10 10 DGCE CCNCc1c(C(F)F)nn(C)c1Sc1nccs1 2339704529 BTLXPBOFIAKVHQ-UHFFFAOYSA-N 304.391 3.075 10 10 DGCE COc1cc(OC)c(N2CC[C@@H](CNC(C)C)C2)cc1Cl 53011394 GYJKKCGYKZAFFE-LBPRGKRZSA-N 312.841 3.182 10 10 DGCE O=Nc1ccc(N(O)/N=N/c2ccc(S(=O)(=O)O)cc2)cc1 59381651 DIGDLRKUUTZXHH-FYWRMAATSA-N 322.302 3.226 10 10 DGCE C[C@@H]1CCC[C@H](NCc2ccc(N3CCOCC3)cc2)[C@@H]1C 104862638 XNVZDTYNUDERAS-MDZRGWNJSA-N 302.462 3.438 10 10 DGCE C[C@H](N[C@H](C)c1ccc2c(c1)CC(=O)N2)c1ccc(F)cc1O 185107831 FUSNEALYFTYDTP-MNOVXSKESA-N 314.360 3.438 10 10 DGCE Oc1ccc(OC(F)(F)F)cc1CNC[C@@H]1CCSC1 2361043444 JYWYGDKPOYFAKK-VIFPVBQESA-N 307.337 3.134 10 10 DGCE Cc1cc(Br)cc(CN(C)CCOC(C)C)c1O 124609431 FOGIVYYDIWOZQM-UHFFFAOYSA-N 316.239 3.320 10 10 DGCE CCN(C(=O)Nc1cc(O)c(O)c(O)c1)c1cccc(C)c1 217278938 SERNPUQUUKSTIB-UHFFFAOYSA-N 302.330 3.170 10 10 DGCE C[C@H](N[C@@H]1CCCn2ncnc21)c1ccc2ccccc2c1O 185662823 SIPOXWFJGGHURO-BLLLJJGKSA-N 308.385 3.323 10 10 DGCE Oc1ccc(CNCc2ccc(Br)s2)c(O)c1 38018526 YEPYTKPHRVTIRC-UHFFFAOYSA-N 314.204 3.212 10 10 DGCE CC[C@@H](C)N(CCOC)Cc1cccc(Br)c1O 133354666 QSBBRIHXWYRIKU-LLVKDONJSA-N 316.239 3.402 10 10 DGCE CSc1ccc(C(=O)Nc2ccc(O)cc2C(=O)O)cc1 48847142 SDEXQKPRHBDEIV-UHFFFAOYSA-N 303.339 3.065 10 10 DGCE CN(CC(=O)N(C)c1ccc(N)cc1)Cc1ccc(Cl)s1 48971438 JNGRNAQPWBDEHC-UHFFFAOYSA-N 323.849 3.079 10 10 DGCE CC(C)(C)OC(=O)N1CC(=O)C[C@@H]1c1ccc(Cl)cc1O 1951948426 OOVZQLGSYDNUPW-GFCCVEGCSA-N 311.765 3.297 10 10 DGCE CCCCN(CCO)c1ccc([C@@H](C)N)c(Br)c1 232978369 QAFUQPXHVBPVBD-LLVKDONJSA-N 315.255 3.068 10 10 DGCE O=c1c2c([nH]c3c(N=Nc4ccccc4)c(O)nn13)CCCC2 334159083 MLBMEIOTWFDIKX-UHFFFAOYSA-N 309.329 3.022 10 10 DGCE Cc1csc([C@@H]2COCCN2Cc2cccc(C)c2O)n1 190402634 CSHLEFFGRJWGNH-AWEZNQCLSA-N 304.415 3.039 10 10 DGCE CC(=O)C(=O)COC(=O)c1sc2cc(C)ccc2c1Cl 808514663 NYOOIOSZAALRSP-UHFFFAOYSA-N 310.758 3.178 10 10 DGCE CCCN(Cc1ccccc1O)c1nc([C@H](C)OC)ns1 800858394 JCMFEBNYYGKITI-NSHDSACASA-N 307.419 3.368 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CC[C@H]2CCC[C@@H](C1)N2 2166636025 VOYXLDATKHLXAT-OLZOCXBDSA-N 315.244 3.415 10 10 DGCE Cc1cc(Br)cc([C@@H](C)NCCc2cn[nH]c2)c1O 290011501 ZUUBAZJECBHURG-SNVBAGLBSA-N 324.222 3.080 10 10 DGCE CC(C)[C@H](NC[C@H](N)c1ccc(N(C)C)cc1)c1cccnc1 817944143 XOZWQGRAHZERDQ-OALUTQOASA-N 312.461 3.134 10 10 DGCE C[C@H](N[C@@H]1CC12CC2)c1cc(Br)cc(F)c1O 818355898 KYMRFEMVHOXJFZ-WRWORJQWSA-N 300.171 3.497 10 10 DGCE COc1ccc(O)c(CNCc2ccccc2-c2ccnn2C)c1 814291602 RFJJVCSAKCKDES-UHFFFAOYSA-N 323.396 3.091 10 10 DGCE Oc1ccc(-c2ccccc2)cc1CN1CC[C@@H](O)C(F)(F)C1 826958449 QBMXKQBCMNINAV-QGZVFWFLSA-N 319.351 3.261 10 10 DGCE Oc1c(Cl)cccc1CN[C@@H]1CCO[C@@H](c2cccnc2)C1 824932184 JZMLMPCWPUWXCW-GDBMZVCRSA-N 318.804 3.451 10 10 DGCE Cc1cc(O)c(CN2CC[C@H]3[C@@H](CCCN3C)C2)c(Cl)c1 840920399 GPUNFPSDPNUNJO-BBRMVZONSA-N 308.853 3.270 10 10 DGCE Oc1cc2c(cc1CN1CCCC3(CCOCC3)C1)CCC2 742158766 IRLSTWJLYJDCJH-UHFFFAOYSA-N 301.430 3.274 10 10 DGCE Cc1cc(F)ccc1CN(C)C(=O)NCCc1ccc(N)cc1 841957392 AQNUWCWEXYQNBZ-UHFFFAOYSA-N 315.392 3.100 10 10 DGCE CC(C)(C)c1nc(CC(=O)NCc2c(O)cccc2F)cs1 928710335 BQKPPFVQAXNJIX-UHFFFAOYSA-N 322.405 3.144 10 10 DGCE C[C@@H](NCC[C@]1(C)CC1(F)F)c1cc([N+](=O)[O-])ccc1O 850536900 OWAJJKFSTJJGKI-NOZJJQNGSA-N 300.305 3.386 10 10 DGCE Cc1ccc([C@@H](C)NC2CCN(C(=O)C(C)C)CC2)c(O)c1C 756397602 WDKCMIUXXTYXLW-OAHLLOKOSA-N 318.461 3.307 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H](CNc2ccc(N)cc2)C2(CC2)C1 1900007275 FIMCUPQOYMNJIG-ZDUSSCGKSA-N 317.433 3.328 10 10 DGCE C[C@H](NC(=O)N[C@H]1C[C@@H]1Cc1ccccc1)c1ccccc1O 868309319 UBJPAHOYOYCGHS-QRTARXTBSA-N 310.397 3.384 10 10 DGCE Oc1cccc2c1[C@@H](NCCOC(F)(F)C(F)(F)F)CC2 872110492 JMEBOEOUFUXTEA-VIFPVBQESA-N 311.250 3.141 10 10 DGCE C[C@H]1C[C@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)CCO1 1124621107 CAZKKVGFEJBIGA-DOTOQJQBSA-N 316.445 3.060 10 10 DGCE O=C(c1cc2cc(O)c(O)cc2s1)N1OC2CCC1CC2 899188526 OXPXYJYCLGDWGW-UHFFFAOYSA-N 305.355 3.011 10 10 DGCE CN(C)c1ccc(CNC(=O)C[C@@H]2CCC(F)(F)C2)cc1F 797845957 GSCGRTKUSZLWOE-NSHDSACASA-N 314.351 3.333 10 10 DGCE CN1CCc2cc(CNC[C@@H]3CCN3Cc3ccccc3)ccc21 716295814 CZFGXYSDCVNTEN-FQEVSTJZSA-N 321.468 3.043 10 10 DGCE Cc1noc(C)c1CC(=O)NCc1c(O)ccc2ccccc12 1304089738 JDQPJLHNUXTHAV-UHFFFAOYSA-N 310.353 3.009 10 10 DGCE CCSCCCn1c(C)nnc1N(C)Cc1ccccc1O 1314610525 OQWUJSHOVBLWLJ-UHFFFAOYSA-N 320.462 3.072 10 10 DGCE c1cc(N2CCCC2)ccc1CN[C@H]1CC[C@H]2CC[C@H]1OC2 1333790987 OHXSOOWOOHJSTH-YTQUADARSA-N 300.446 3.334 10 10 DGCE CCN(CCN=[N+]=[N-])C(=O)[C@H]1CCCN(Cc2ccccc2)C1 1900609581 PBTFDQDGPFBCHB-INIZCTEOSA-N 315.421 3.057 10 10 DGCE CCCCNC(=O)Cn1c2c(c3cc(OC)ccc31)CCCC2 1353150132 LWMFPXOJBKTFRO-UHFFFAOYSA-N 314.429 3.445 10 10 DGCE [N-]=[N+]=NC1CN(Cc2ccc(Br)c(F)c2F)C1 1912178080 KHRQLEOEDQWTHR-UHFFFAOYSA-N 303.110 3.222 10 10 DGCE Cc1ccc(C(=O)Nc2ccc3c(c2)CCCC3=O)c(O)c1O 1452163134 IYEADOVGLCJVPX-UHFFFAOYSA-N 311.337 3.178 10 10 DGCE COCCC[C@H](C)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1525106443 GOJYCRFCRXODKP-INIZCTEOSA-N 318.461 3.308 10 10 DGCE Oc1ccc(CCNc2cnc3cc(Cl)ccc3n2)cc1O 1472716407 QADRUPUSRDXAQX-UHFFFAOYSA-N 315.760 3.349 10 10 DGCE O=C(NCc1ccc(N2CCCC2)cc1)c1cccc(F)c1O 1543590481 AAKUZBCYOOPKKV-UHFFFAOYSA-N 314.360 3.062 10 10 DGCE COc1cc(NC(=O)c2cc(O)cs2)c(OC)cc1Cl 1540422708 XRJMKMOPLFMSNH-UHFFFAOYSA-N 313.762 3.377 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)[C@H]1[C@@H](OCC)[C@@H]1C 1626159944 DBWJOTPNSMGGSQ-XYPHTWIQSA-N 305.418 3.192 10 10 DGCE CCCOC1(CNC(=O)c2ccc(C)c(O)c2O)CCCCC1 1566220200 FZVPCQJVWPCVOE-UHFFFAOYSA-N 321.417 3.266 10 10 DGCE C[C@H](NC(=O)c1ncsc1C(F)(F)F)c1ccccc1O 1635803815 KWOSKMWCEOLOCK-ZETCQYMHSA-N 316.304 3.359 10 10 DGCE Cc1ccc(C(=O)N2CCc3cccc(Cl)c3C2)c(O)c1O 1642386654 CADSGIHTYJLNPU-UHFFFAOYSA-N 317.772 3.258 10 10 DGCE O=C(c1ccccc1-n1cccc1)N1Cc2cccc(O)c2C1 1643174049 VYUBAEMBJCUJLE-UHFFFAOYSA-N 304.349 3.339 10 10 DGCE Cc1cc(CN2CCN(C)[C@@H](C)C2)ccc1N1CCCCC1 1642589573 PJBJXOZYMOYGLU-KRWDZBQOSA-N 301.478 3.121 10 10 DGCE Cc1cnn(-c2ccc(C(=O)N3Cc4cccc(O)c4C3)cc2)c1 1643169302 QBFWKRCYGBLREA-UHFFFAOYSA-N 319.364 3.042 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1C[C@](F)(CNc2ccc(N)cc2)C1 1959380753 MZMMCVKPBSNCCL-AKAXFMLLSA-N 309.385 3.076 10 10 DGCE CC(C)(C)NCc1ccc(N2CCC(CO)CC2)c(Cl)c1 163936292 GSNWGFABAHRJCC-UHFFFAOYSA-N 310.869 3.437 10 10 DGCE Oc1c(F)cccc1CN[C@@H]1CC[C@@H]1OCc1ccccc1 1934907036 XXQANOKCLXCVEI-SJORKVTESA-N 301.361 3.369 10 10 DGCE Nc1ccc(O[C@@H]2C[C@H]3CC[C@H]2CN3CC(F)(F)F)cc1 259566536 NWFGRJSPWFSUJY-ZKYQVNSYSA-N 300.324 3.063 10 10 DGCE CC[C@H]1C[C@@H](NCc2c(O)cccc2Br)CCO1 858180046 KALYPOLLOCFXIZ-QWRGUYRKSA-N 314.223 3.202 10 10 DGCE CC(C)n1nccc1CNCc1ccc(Br)cc1O 1964595697 XKRRWNFMOLZYGR-UHFFFAOYSA-N 324.222 3.222 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H](CCNCc2ccc(N)cc2)C1 1993866346 NFJUZEFVXHNIKE-OAHLLOKOSA-N 319.449 3.006 10 10 DGCE C[C@H]1C[C@@H](F)CN1c1ccc([C@@H](C)O)cc1Br 1997690813 FFRJQMVYIXNGNM-IQJOONFLSA-N 302.187 3.439 10 10 DGCE NC(=O)c1ccc(NCc2cccc(Cl)c2O)cc1Cl 165002453 CKYFABISTFVNNO-UHFFFAOYSA-N 311.168 3.410 10 10 DGCE COCCNCc1cnc(Sc2cc(C)cc(C)n2)s1 2155334218 JPUZRZFUWUZIBE-UHFFFAOYSA-N 309.460 3.042 10 10 DGCE C[C@@]12CC[C@H]1CCN2c1cc(Br)c(CN)cc1F 2039544766 SYOCCYFFQPXIRT-IINYFYTJSA-N 313.214 3.426 10 10 DGCE CCO[C@H]1CCN(c2ccc([C@@H](C)O)c(Br)c2)C1 701706735 KBARNRXPCFNRRL-PWSUYJOCSA-N 314.223 3.118 10 10 DGCE C[C@H](NCc1ccc(Br)cc1O)c1nccs1 691440933 TVXJGAFTOMUGCV-QMMMGPOBSA-N 313.220 3.462 10 10 DGCE CCN=c1[nH]c(NCc2ccc(N)cc2)c(Cl)cc1Cl 2173894750 PZZIXLBSCAUECV-UHFFFAOYSA-N 311.216 3.436 10 10 DGCE CCCOC1CCN(c2cc(Cl)c(CN)cc2F)CC1 2177390290 UZLAQIZOBKKALN-UHFFFAOYSA-N 300.805 3.333 10 10 DGCE COC(=O)c1cnc(Sc2ccc(C)c(C(=O)O)c2)s1 2182619127 GMHRZWBEKPOCCA-UHFFFAOYSA-N 309.368 3.088 10 10 DGCE CO[C@H]1CN([C@@H](C)c2cc(Cl)ccc2O)CC(F)(F)C1 2185147131 MLLXAIYRAKPWTK-GXSJLCMTSA-N 305.752 3.463 10 10 DGCE CN(C(=O)c1snc(Cl)c1Cl)c1ccc(N)cc1 2048316267 VTPYNVHMDCHSRJ-UHFFFAOYSA-N 302.186 3.309 10 10 DGCE CC(C)(C)[C@H]1NCC[C@@H]1Nc1c(N)cccc1Br 2072345991 PJPVZISMVHICST-AAEUAGOBSA-N 312.255 3.220 10 10 DGCE C[C@H](c1ccccc1O)N(C)c1ccnc(Br)n1 2072466328 DTDWVPSTIBBIPR-SECBINFHSA-N 308.179 3.142 10 10 DGCE CCN1CCc2cc([C@@H](N)c3cc(Br)co3)ccc21 2112424917 IMZJGDZRMZXPPZ-OAHLLOKOSA-N 321.218 3.473 10 10 DGCE CN(C)[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CC1(C)C 2236257544 VQQNFGRECIXTSK-ZDUSSCGKSA-N 317.260 3.471 10 10 DGCE CN(Cc1cccc(Cl)c1O)C[C@H](F)C1CCOCC1 2238365744 VLUHKPCXSNJIBH-AWEZNQCLSA-N 301.789 3.242 10 10 DGCE Oc1c(Br)cc(Cl)cc1CNCC[C@H]1CCO1 2253189673 UYQIWHIKZTTYEZ-JTQLQIEISA-N 320.614 3.077 10 10 DGCE CC[C@H](N)Cc1cnc(SCC2(OC)CCCC2)s1 2265563080 FUXAKYWROCUUJI-NSHDSACASA-N 300.493 3.474 10 10 DGCE CSc1ncc(CNC[C@@H]2Cc3cc(C)ccc3O2)s1 2284631773 YDQFQIHCNFQIFY-LBPRGKRZSA-N 306.456 3.267 10 10 DGCE CC(C)(C)c1ncc(C=CC(=O)N2CCc3cnccc32)s1 2297699327 GJDCFUFCWFKPSJ-UHFFFAOYSA-N 313.426 3.438 10 10 DGCE Cc1ccccc1C[C@@H](C)NC(=O)C=Cc1ccc(O)c(O)c1 2307996677 HIGRXCFKUSIQEN-CQSZACIVSA-N 311.381 3.167 10 10 DGCE CCCOc1c(C=C2C(=O)N(CC)N=C2CC)cccc1OC 2332118436 LANAKHXNQWZJBC-UHFFFAOYSA-N 316.401 3.496 10 10 DGCE Cc1ccc(CN2C[C@@H](C)O[C@H](C)C2)c(O)c1Br 2327567849 MZTBIWIHKPGHSP-GHMZBOCLSA-N 314.223 3.072 10 10 DGCE COc1ccc(-n2c(C)cc(CNC(=O)NC(C)C)c2C)cc1 9228681 QRDUDRPLPOYIBD-UHFFFAOYSA-N 315.417 3.310 10 10 DGCE Nc1ccc(N(C(=O)c2ccc(C=O)[nH]2)c2ccccc2)cc1 170231911 VKVKRVNQCRGEDS-UHFFFAOYSA-N 305.337 3.388 10 10 DGCE COc1ccc(O)c(CN2CCC[C@H](c3nccs3)C2)c1 179963632 IJASZDHGRKIPGX-LBPRGKRZSA-N 304.415 3.237 10 10 DGCE Cc1cc(Cl)cc(CN2CCC(n3ccnc3)CC2)c1O 179903058 QHNSDMUVGLRQCB-UHFFFAOYSA-N 305.809 3.388 10 10 DGCE CCNCc1ccc(N(C)Cc2snnc2C)c(Cl)c1 2360899041 RTLXVCBQCZGCQB-UHFFFAOYSA-N 310.854 3.246 10 10 DGCE C[C@H]1CN(Cc2cc(Br)cc(F)c2O)C[C@@H]1F 1947374616 URLSIQVNQZKZAA-CPCISQLKSA-N 306.150 3.084 10 10 DGCE CCN[C@@H](C)c1ccc(N(C)Cc2cnn(C)c2)cc1Cl 78905536 LVELIWXHPMOJTP-LBPRGKRZSA-N 306.841 3.380 10 10 DGCE COc1cc(N)c(N2CCC[C@@H](C(F)(F)F)C2)cc1OC 213774440 AZLSIQWJWCAMGZ-SECBINFHSA-N 304.312 3.065 10 10 DGCE Oc1ccc(Cl)cc1CNc1ccccc1-n1cncn1 37042320 UHMYDGIBGYPVBX-UHFFFAOYSA-N 300.749 3.238 10 10 DGCE COC[C@@H](NCc1cc(F)cc(C(C)=O)c1O)c1ccccc1 181702615 NWYGZVBZJCOUFY-QGZVFWFLSA-N 317.360 3.211 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(Cl)ccc1N 314903638 KMQSMIZFSIDAJS-UHFFFAOYSA-N 317.820 3.260 10 10 DGCE CN(CCC(F)(F)F)c1ccc(CN)cc1Br 213042593 MZNYGNLZTKKULA-UHFFFAOYSA-N 311.145 3.296 10 10 DGCE CCO[C@H]1C[C@@H](NCc2cc(C)c(C)cc2O)C12CCOCC2 185652633 QTEZOPSZABDMLE-MSOLQXFVSA-N 319.445 3.073 10 10 DGCE Cc1ccc(F)c2c1N(C(=O)/C=C/c1cnn(C)c1C)CCC2 131020421 RDQMGNJWNSMKRF-VQHVLOKHSA-N 313.376 3.169 10 10 DGCE CCCNCc1ccc(N2C[C@@H](C)[C@@H](N(C)C)C2)c(Cl)c1 226090063 KZUOZHKXGIEBHN-DYVFJYSZSA-N 309.885 3.226 10 10 DGCE CCCN(C(=O)OC(C)(C)C)[C@@H](C(=O)O)c1ccccc1O 227190726 SPAMOVXZINMTBV-CYBMUJFWSA-N 309.362 3.165 10 10 DGCE CC(C)(C)OC(=O)N1CCC(=O)C[C@@H]1c1ccc(F)cc1O 1952072200 QNKXWAGCMVDOBJ-CYBMUJFWSA-N 309.337 3.172 10 10 DGCE Cc1ccccc1-n1c(C)cc(C(=O)NCCc2cn[nH]c2)c1C 290576312 OXGBJBOGECNINE-UHFFFAOYSA-N 322.412 3.098 10 10 DGCE Cc1c(F)ccc(N)c1C(=O)N(C)Cc1ccc(N(C)C)cc1 398781617 KGWCRQWQDSRNJQ-UHFFFAOYSA-N 315.392 3.055 10 10 DGCE CCCN1CC[C@H](CNCc2cc(Cl)c(F)cc2O)C1 293506758 AHEAZXFAQQILFP-LLVKDONJSA-N 300.805 3.006 10 10 DGCE Cc1ccc([C@H](C)NCCCNCc2cccnc2)c(O)c1C 817939911 IBWPLTYVBIIJPS-INIZCTEOSA-N 313.445 3.235 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@H]2CCCC[C@@H]2OC)cc1 815052407 NMHYTOPSASRJFT-ROUUACIJSA-N 318.461 3.354 10 10 DGCE CC[C@@](C)(C(=O)OC)N(Cc1cccc(C)c1O)CC1CC1 822504330 RZBQRXNIVNQNLB-SFHVURJKSA-N 305.418 3.254 10 10 DGCE C[C@H](N[C@H]1CCn2ccnc21)c1cccc(C(F)(F)F)c1O 834831538 JUXLDMKATUXMNN-CABZTGNLSA-N 311.307 3.403 10 10 DGCE Cc1ccc([C@H]2C[C@@H](N)CCN2C(=O)OC(C)(C)C)c(O)c1 1952149047 PNTHAZJNKFTOHG-GXTWGEPZSA-N 306.406 3.100 10 10 DGCE COc1ccc(N(C)CCN(C)CC[C@@H]2CCCCO2)cc1 844401102 KHLXOYBLTRMNEN-SFHVURJKSA-N 306.450 3.022 10 10 DGCE CC(C)(C)OC(=O)Nc1cc(COc2ccc(N)cc2)no1 1952662509 GBJVZHLAKNFXII-UHFFFAOYSA-N 305.334 3.183 10 10 DGCE Cc1ccc(C(=O)NCc2c(O)cccc2F)c(C2CC2)n1 928705546 JPHDSHWGTMXAQM-UHFFFAOYSA-N 300.333 3.042 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)C[C@H](C)CC(C)C)C2)cc1 855231607 WXPMBQBNCJDKGN-CVEARBPZSA-N 318.461 3.462 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)[C@]3(C)CC=CCC3)C2)cc1 855222820 AZNGIKDQTGVCOK-HNAYVOBHSA-N 314.429 3.137 10 10 DGCE CC[C@H](NCC[C@H](COC)OC)c1cccc(Cl)c1O 850487256 YNBNVKRTBHMLTJ-RISCZKNCSA-N 301.814 3.138 10 10 DGCE C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CC1(C)C 850406460 HFYNLTPYFPCXFK-KSSFIOAISA-N 302.462 3.172 10 10 DGCE O=C(COC(=O)C1CCC(C2CC2)CC1)c1ccc(O)c(O)c1 850310158 PXLWDWJSXPPLFI-UHFFFAOYSA-N 318.369 3.040 10 10 DGCE COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc(C)c(O)c1O 751534215 VLWDLRPHLSSFFT-GFCCVEGCSA-N 315.369 3.214 10 10 DGCE CC[C@@H](NC[C@@H](n1cccn1)C(F)(F)F)c1ccccc1O 858448593 DHKOVOAPOFVJKR-TZMCWYRMSA-N 313.323 3.433 10 10 DGCE CCOc1ccc(CN[C@H]2[C@@H]3c4ccc(F)cc4C[C@H]32)c(O)c1 850409750 ZXNLGRYLDVXFFD-BHIYHBOVSA-N 313.372 3.358 10 10 DGCE COc1ccc(O)c([C@H](C)NCc2nc(C(C)C)ns2)c1 930213352 HVAAQIRKEGWHSR-JTQLQIEISA-N 307.419 3.227 10 10 DGCE Cc1cc(Cl)cc(CN[C@@](C)(CO)c2cccc(O)c2)c1O 862432603 KDYNHBNLXWSRML-KRWDZBQOSA-N 321.804 3.057 10 10 DGCE CCN(CC)c1ccc(CNCc2cnc3c(cnn3C)c2)cc1 865418008 GBZGCRNDGBFPCV-UHFFFAOYSA-N 323.444 3.104 10 10 DGCE CCN(C)c1ccc(CN2CC[C@@H](C(=O)OC(C)(C)C)C2)cc1 773756822 VXLKSOHMSCEOMD-MRXNPFEDSA-N 318.461 3.306 10 10 DGCE CN1CCCc2cc(CNCc3ccc(-c4cc[nH]n4)o3)ccc21 788509618 QVVRSUBQWYAKTD-UHFFFAOYSA-N 322.412 3.342 10 10 DGCE CCN(CC)c1ccc(CNCCC(=O)NC2CCCC2)cc1 67221726 LAGIPLAQCGMACD-UHFFFAOYSA-N 317.477 3.071 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@@H]2CCC(C)(C)O2)cc1F 785079218 XFLVGALFIVFEFR-INIZCTEOSA-N 322.424 3.246 10 10 DGCE O=C(c1cc2cc(O)c(O)cc2s1)N1CCC2(CC1)CC2 896280567 JOEKQQOPXKRMKC-UHFFFAOYSA-N 303.383 3.329 10 10 DGCE COc1ccc(OCCNCc2cc(Cl)ccc2O)cc1 76272597 MTXQWQKSBPTPHH-UHFFFAOYSA-N 307.777 3.223 10 10 DGCE COc1ccc(Br)c(COc2cccnc2N)c1 87786426 UFUOQHJEFGUOPW-UHFFFAOYSA-N 309.163 3.014 10 10 DGCE O=C(NCc1ccccc1O)[C@H](c1ccncc1)C1CCCC1 896014931 FTHHQAJSSGEYPO-SFHVURJKSA-N 310.397 3.377 10 10 DGCE C[C@H](c1ccc(F)cc1O)N(CC(=O)O)Cc1ccccc1 701267213 UCTIFYLCGRALSY-GFCCVEGCSA-N 303.333 3.179 10 10 DGCE Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NC[C@]12CCC[C@H]1NCC2 1332422436 WBAVKAPIYWNFEP-QRCPMIHRSA-N 300.446 3.371 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)c2ccsc2Br)C1 1912186934 HNAQIYROBTWUCM-ZETCQYMHSA-N 315.196 3.283 10 10 DGCE [N-]=[N+]=N[C@@H]1CCN(C(=O)c2cccc(Br)c2F)C1 1912153337 AWDLNIBBLHOVRS-SSDOTTSWSA-N 313.130 3.113 10 10 DGCE CCC/C=C/[C@H](O)C(=O)N(CCCC)Cc1ccccc1O 1297004920 DJCITHJRAOMKEV-CRVDFBCUSA-N 305.418 3.238 10 10 DGCE Oc1cc(Br)ccc1CN1CCCC[C@@H](F)C1 1946946380 LYPKBDYRTWCNBZ-GFCCVEGCSA-N 302.187 3.479 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)[C@H](C)C2CCCC2)cc1 1461333267 BMVAYVPMSBQJBP-OAHLLOKOSA-N 318.461 3.416 10 10 DGCE CSc1cc(C(=O)Nc2c(Cl)ccc3nonc23)co1 1543805924 PRKDIGXJKGACBV-UHFFFAOYSA-N 309.734 3.443 10 10 DGCE O=C(CCc1ccc(O)cc1)NCc1cc(Cl)ccc1O 1628667621 YJWHUVPOMVVLDQ-UHFFFAOYSA-N 305.761 3.000 10 10 DGCE CN(Cc1ccccc1O)C(=O)c1cc(Cl)c(F)cc1N 1631154475 CLNDGTMIJSLPMD-UHFFFAOYSA-N 308.740 3.039 10 10 DGCE COC(=O)COc1ccc(N(C)CC2CC3(CCC3)C2)cc1 1658211342 OMKIFSJECSGAAQ-UHFFFAOYSA-N 303.402 3.255 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC1CC(C)(C)C1 1686826833 QIMLUPRQTMCZGR-AWEZNQCLSA-N 317.477 3.480 10 10 DGCE CN(CC1CCOCC1)c1ccc(CNC2CC2)cc1Cl 164084908 REYVCEAATRTYIN-UHFFFAOYSA-N 308.853 3.455 10 10 DGCE CC(=O)[C@@H](/N=N/c1ccc(C)cc1N)C(=O)Nc1ccccc1 205940561 UUKBCKHJODVMHL-FVGNFYTDSA-N 310.357 3.257 10 10 DGCE Cc1cc(C)c(O)c(CN2CCC(CN3CCCC3)CC2)c1 164356902 RLEQEJMRQPFEBI-UHFFFAOYSA-N 302.462 3.317 10 10 DGCE COc1ccc(OC)c(/N=N/N(C)CCc2ccncc2)c1 1860484805 FKOODJRIWZLFLX-VHEBQXMUSA-N 300.362 3.272 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1Nc1c(N)cccc1Cl 1886530029 LOTFLXQXAOIJJI-VXGBXAGGSA-N 311.813 3.390 10 10 DGCE Cc1cc(C(=O)NCc2ccc(N)cc2)ccc1Br 137433463 WHMTUOKYAHNSRW-UHFFFAOYSA-N 319.202 3.270 10 10 DGCE C[C@]1(NCc2cc(Br)cc(F)c2O)C=CCC1 2003303188 SDZJOVXBGPPPKW-ZDUSSCGKSA-N 300.171 3.492 10 10 DGCE CCN[C@H](C)c1ccc(N(C)CC(F)(F)CO)c(Cl)c1 2150990126 OFLZEGMOYFHEPJ-SNVBAGLBSA-N 306.784 3.074 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H](Oc2ccc(N)cc2)[C@@H]1C1CC1 1992515478 RLTWRTJNQMEXNP-CVEARBPZSA-N 318.417 3.436 10 10 DGCE Cc1ccc(CN[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)c(O)c1 1994457083 VAQKFTKYAXOULM-HUUCEWRRSA-N 320.433 3.236 10 10 DGCE CNCc1ccc(N2C[C@H](F)C[C@H]2C)c(Br)c1 1997687592 ZQFOTJGZMIADAC-MWLCHTKSSA-N 301.203 3.105 10 10 DGCE Nc1ccc(CC[C@H](O)c2cc(C(F)(F)F)ns2)cc1 2155015407 SBKQUXQLEVGHLS-JTQLQIEISA-N 302.321 3.410 10 10 DGCE O[C@H]1CCCc2cc(N3CCN(Cc4ccccc4)CC3)ccc21 2012683162 JDMWNLPYDZGHIN-NRFANRHFSA-N 322.452 3.379 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(S(=O)(=O)c2ccccc2Cl)CC1 2155554062 VMNFVYQXASNPHK-JTQLQIEISA-N 314.798 3.194 10 10 DGCE Nc1ccc(N2CCN(Cc3ccc(Cl)s3)CC2)cc1 57470002 VIFQAOMDVUZVDH-UHFFFAOYSA-N 307.850 3.306 10 10 DGCE CP(C)(=O)[C@@H]1CCCN(c2c(F)cc(CN)cc2F)C1 2159330886 RNLNRDRFGSZHKU-LLVKDONJSA-N 302.305 3.015 10 10 DGCE CC(C)(C)C[C@@H](CO)NCc1cccc(Br)c1O 305168098 DMZNOFFQBXJTFF-NSHDSACASA-N 316.239 3.041 10 10 DGCE Nc1ccc(O)c(CN2Cc3cccc(Br)c3C2)c1 713267660 ATMVSNQGPKBXPR-UHFFFAOYSA-N 319.202 3.253 10 10 DGCE CSc1cc(NC(=O)COc2ccc(N)cc2)ccc1C 2060447016 BXWOSAUGKCIJDJ-UHFFFAOYSA-N 302.399 3.317 10 10 DGCE C[C@H](NC(=O)c1coc(Br)c1)c1ccccc1O 1557968277 WZIKIQNQCMGZOV-QMMMGPOBSA-N 310.147 3.239 10 10 DGCE Nc1cc(Cl)c(Cl)c(C(=O)NCc2ccccc2O)c1 2191656399 QTEAXPLKUDHQSY-UHFFFAOYSA-N 311.168 3.211 10 10 DGCE CO[C@H]1C[C@H](C)CN(Cc2cccc(Br)c2O)C1 2085098183 OJJCIZXBYAXDLS-JQWIXIFHSA-N 314.223 3.012 10 10 DGCE CNCc1ccc(N2C[C@H]3CC[C@]3(C)C2)cc1Br 2086872337 IHVFSWBIJHJRHK-IUODEOHRSA-N 309.251 3.405 10 10 DGCE Cc1nc(CN(C)c2ccc([C@@H](C)N)cc2Br)co1 2113577060 CHIXZDHEFJCWFP-SECBINFHSA-N 324.222 3.402 10 10 DGCE C[C@@H](O)c1ccc(N2CC[C@H]3C[C@]3(F)C2)c(Br)c1 2222684287 CJEQQWRLDBTDJW-PUYPPJJSSA-N 314.198 3.441 10 10 DGCE [N-]=[N+]=NC[C@H]1CCN(C(=O)c2cc(Cl)cnc2Cl)C1 2228450228 KSGIBLICSLDHOV-SSDOTTSWSA-N 300.149 3.161 10 10 DGCE CNCCC[C@@H](C)N(C)c1cc(Cl)c(OC)cc1OC 2285915812 AKBDABLBAJIEOV-LLVKDONJSA-N 300.830 3.182 10 10 DGCE c1ccc(CN2CCN(N=Nc3ccc4c(c3)OCO4)CC2)cc1 2318775899 OIHUDFCANYLGOJ-UHFFFAOYSA-N 324.384 3.232 10 10 DGCE CCn1cc(NCc2ccc(C)c(Br)c2O)cn1 2327622240 WAGWTBILICBRKZ-UHFFFAOYSA-N 310.195 3.292 10 10 DGCE COC1(CNCc2ccc(C)c(Br)c2O)CCC1 2327798303 FQQRWLWMCQVMSV-UHFFFAOYSA-N 314.223 3.122 10 10 DGCE Cc1ccc(CNC(=O)c2ccccc2)c(O)c1Br 2352625702 KABXJIRDNOYXFK-UHFFFAOYSA-N 320.186 3.393 10 10 DGCE CC(C)NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 53010788 AWNKCKDHJFDAEK-LBPRGKRZSA-N 302.340 3.410 10 10 DGCE CN1CCc2cc(CN[C@@H]3CCOC4(CCCC4)C3)ccc21 125064598 BREBYLDEFLCOJU-QGZVFWFLSA-N 300.446 3.260 10 10 DGCE O=c1c2ccccc2nc2n1CC/C2=C/c1ccccc1[N+](=O)[O-] 33529700 PKJVFMTUFPIQPN-QBFSEMIESA-N 319.320 3.249 10 10 DGCE O=[N+]([O-])c1ccc(O)c(CNc2nnc(-c3cccs3)o2)c1 186011853 GGLHEONUBAOODQ-UHFFFAOYSA-N 318.314 3.024 10 10 DGCE CC[C@H](CN[C@@H](C)c1ccc(O)cc1O)NC(=O)OC(C)(C)C 227715484 BCRNNNDACSXKKO-NWDGAFQWSA-N 324.421 3.052 10 10 DGCE CC[C@H]1OCC[C@@H]1CNCc1cc(Br)ccc1O 234176486 NGFBXHUNKSGELH-QMTHXVAHSA-N 314.223 3.059 10 10 DGCE O=C(NCc1ccc(N2CCCC2)cc1)C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 246479456 NCAUGPXFALVZCP-CWLKWCNXSA-N 310.441 3.195 10 10 DGCE CCCOc1ccc(CN(C)[C@@H]2CCN(CC)C[C@H]2C)c(O)c1 245728540 JFGBYZKUDBPBRK-CRAIPNDOSA-N 320.477 3.343 10 10 DGCE CN(C)c1ccc(/C=C2/N=C(Cc3ccc(F)cc3)NC2=O)cc1 253443526 VVEGCEYSFAIZKD-GZTJUZNOSA-N 323.371 3.004 10 10 DGCE CCOC(CCNCc1cc(Cl)c(F)cc1O)OCC 294520634 CMKTTYKUNQUZPG-UHFFFAOYSA-N 305.777 3.064 10 10 DGCE CN(C)c1ccc(CNC(=O)N2CCCC[C@H]2C(F)F)cc1 800007684 JMRCKGGSCMSTIM-AWEZNQCLSA-N 311.376 3.082 10 10 DGCE CNCc1ccc(N(C)Cc2csnc2OC)c(Cl)c1 723202180 RFLNXSRUHRHVJJ-UHFFFAOYSA-N 311.838 3.161 10 10 DGCE CN[C@H](c1ccc2c(c1)CCCN2C)[C@H]1CSCCS1 2163096275 HRQARQOJWWLPOZ-HZPDHXFCSA-N 308.516 3.178 10 10 DGCE Cc1nc(C)c(C)c(NCc2cc(Br)ccc2O)n1 804828662 VQOLXGOSDAWFPR-UHFFFAOYSA-N 322.206 3.482 10 10 DGCE CC(C)(C)/C=C\C(=O)NCc1cc(Br)ccc1O 804737476 JDCLKFNVVGBQPU-SREVYHEPSA-N 312.207 3.373 10 10 DGCE CN(C)c1ccc([C@@H](N)[C@@H](O)Cc2ccccc2)c(Cl)c1 575250412 WNEVJRAEXXCGAK-DLBZAZTESA-N 304.821 3.009 10 10 DGCE O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CC[C@H]2C[C@@H]2C1 825722353 XNSDDANZDLRLKZ-GVDBMIGSSA-N 313.445 3.275 10 10 DGCE Oc1cc2c(cc1CN1CC3(CCC3)[C@H]1c1ccco1)OCO2 825104035 LATTWRMOVYPXPY-QGZVFWFLSA-N 313.353 3.441 10 10 DGCE C[C@]12COC[C@@H]1CN(Cc1cc(Cl)cc(Cl)c1O)C2 827284695 VMMCUPDCULMQCR-HZMBPMFUSA-N 302.201 3.167 10 10 DGCE C[C@@](N)(c1cc(Cl)cc(Br)c1O)C(F)F 1952673931 GUXHYJTWIWJIDY-SECBINFHSA-N 300.530 3.247 10 10 DGCE CN(C)c1ccc(/C=C/CN2CC=C(c3ccnn3C)CC2)cc1 835052875 QGNGWXHIZWDFGL-SNAWJCMRSA-N 322.456 3.289 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCC[C@@]2(C)CCCO)cc1 835053121 KUAVSMKNGCXIJC-OCTSTCLRSA-N 302.462 3.393 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@@H]2CCO[C@H](C3CC3)C2)cc1 835046715 MGROWFYTGGKNDS-HYIIBOEBSA-N 300.446 3.313 10 10 DGCE Cc1cnn([C@@H]2CCN(C/C=C\c3ccc(N(C)C)cc3)C2)c1 835052669 ILNPBORSSVVLGW-PHWHVTFISA-N 310.445 3.218 10 10 DGCE CN(C)c1ccc(CNC(=O)NC2(C3(C)CC3)CC2)cc1F 838029409 MJKLXCXIGFSCOI-UHFFFAOYSA-N 305.397 3.024 10 10 DGCE CC[C@@H](NCCc1cc(C)n(C)n1)c1cccc(Cl)c1O 926912182 UJUZMVFZVIHOKC-OAHLLOKOSA-N 307.825 3.371 10 10 DGCE COc1ccc(CNC2(c3cc(C)no3)CCOCC2)cc1C 858325595 FHTYICHDJPWNGP-UHFFFAOYSA-N 316.401 3.096 10 10 DGCE CC(C)[C@@H](O)[C@H](NCc1ccc2c(c1)CCO2)c1ccccc1 850395845 ZVTYMIKZVGKMPR-WOJBJXKFSA-N 311.425 3.469 10 10 DGCE C[C@H](N[C@H](C)c1ccc(Br)cc1O)c1nccn1C 850572461 KFZZCHFKEOTSRI-ZJUUUORDSA-N 324.222 3.300 10 10 DGCE CCN(CCOCCO)c1ccc(OCc2ccccc2)cc1 1899868374 YCMFJJNIFNDDSA-UHFFFAOYSA-N 315.413 3.101 10 10 DGCE CC1(C)[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1c1ccccc1 862529824 OQIFYFDXMOCNMO-DOJOMBEPSA-N 323.392 3.419 10 10 DGCE O=C(Nc1c(-c2ccccn2)nc2ccccn12)C12CC(C1)C2 861767446 YZVKQFJJULCVBW-UHFFFAOYSA-N 304.353 3.135 10 10 DGCE COc1ccc2c(c1)NC1(CCCCCC1)CN2[C@@H](C)CN 76931238 IUAXBNZJMGMBPO-AWEZNQCLSA-N 303.450 3.367 10 10 DGCE CCC(=O)OCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 798121382 HFSAFERUEHQUAM-UHFFFAOYSA-N 303.333 3.369 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)NCCc1cccc2ccccc12 1144870044 FKFCHQJTMZYDPO-UHFFFAOYSA-N 321.376 3.152 10 10 DGCE CCN(Cc1cccc(C)c1O)C1CN(C(=O)OC(C)(C)C)C1 793604485 LJCRHMHZOBQFMM-UHFFFAOYSA-N 320.433 3.142 10 10 DGCE CC(C)(C)c1nsc(NC(=O)NCc2c(O)cccc2F)n1 1333893175 IOWLMKLPDXBYGP-UHFFFAOYSA-N 324.381 3.002 10 10 DGCE O=C(c1c(F)ccc(O)c1O)N1CCc2cc(Cl)ccc21 1184415934 KOXRRVOCOXQDNA-UHFFFAOYSA-N 307.708 3.093 10 10 DGCE CCc1cc(N[C@H](C)c2cc(OC)ccc2O)nc(CC)n1 1185291046 RXRHAHXRFGTVBX-LLVKDONJSA-N 301.390 3.489 10 10 DGCE O=Cc1ccc(F)c(C(=O)NCCCSc2nccs2)c1 1443487179 GEJASXAZDCMZDY-UHFFFAOYSA-N 324.402 3.007 10 10 DGCE NCc1ccc(N2[C@H]3CC[C@H]2CSC3)cc1C(F)(F)F 1914573586 HAFZKYKEWVGAPV-RYUDHWBXSA-N 302.365 3.248 10 10 DGCE CCNCc1ccc(N(CCCO)Cc2ccccc2)c(F)c1 1914638261 NTFVPFONHRRLFF-UHFFFAOYSA-N 316.420 3.324 10 10 DGCE [N-]=[N+]=NCC1CCN(C(=O)c2cc(Br)co2)CC1 2258127937 MGZJUJKLFFJCFU-UHFFFAOYSA-N 313.155 3.205 10 10 DGCE c1ccc(Cn2ccnc2CNCc2ccc3c(c2)CCO3)cc1 114765850 FSOOQSHPZBJDPM-UHFFFAOYSA-N 319.408 3.156 10 10 DGCE C[C@H](N[C@H](C)C(=O)c1c[nH]c2ncccc12)c1ccccc1O 1473723721 JHYMFZXPVSFJBN-NWDGAFQWSA-N 309.369 3.191 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(C)c(F)c2F)c1 1595806522 NQAQIOPCXUZOLW-SNVBAGLBSA-N 321.323 3.478 10 10 DGCE CN(CC(C)(C)CNC(=O)OC(C)(C)C)c1ccc(N)cc1 1959564687 GVJHZZTUXLWTEF-UHFFFAOYSA-N 307.438 3.256 10 10 DGCE CC(C)N1C(=O)/C(=C\c2ccc([N+](=O)[O-])s2)SC1=S 5860086 LAWRJNCAVJNOJM-VMPITWQZSA-N 314.413 3.266 10 10 DGCE CN[C@@H](C)c1ccc2c(c1)CCCN2CCOC(F)(F)F 162244931 SMDVWKUGICLKHZ-NSHDSACASA-N 302.340 3.256 10 10 DGCE Oc1ccc(F)cc1CN[C@H]1CC[C@@H]1OCc1ccccc1 1934899964 DGXRESPDJGHQTP-WMZOPIPTSA-N 301.361 3.369 10 10 DGCE Cc1nc([C@H](N[C@@H](C)c2ccccc2O)c2ccccc2)n[nH]1 154166109 UXHGDYVOQICPFB-YVEFUNNKSA-N 308.385 3.259 10 10 DGCE Nc1cccc(F)c1N[C@H]1CCOC[C@H]1OCc1ccccc1 1937207849 RSAJNFPOBGOMCG-DLBZAZTESA-N 316.376 3.194 10 10 DGCE Oc1ccc(Br)cc1CN[C@@H](C(F)F)C1CC1 1942707732 RSZILGSURPICED-LLVKDONJSA-N 306.150 3.288 10 10 DGCE COc1ccc(Br)nc1N(C)Cc1ccccc1O 1877545458 OWJSBMUKECAQMK-UHFFFAOYSA-N 323.190 3.195 10 10 DGCE CN(C)c1ccc([C@]2(N)CCCN(Cc3ccccc3)C2)cc1 1977959587 SHZUEAGATJCFQF-FQEVSTJZSA-N 309.457 3.203 10 10 DGCE CC(C)(C)OC(=O)NCC1(NCc2ccc(F)cc2O)CCC1 1994524544 LSGMKWXVFKQTTJ-UHFFFAOYSA-N 324.396 3.068 10 10 DGCE O[C@@H]1CCc2cc(N3C[C@H]4C[C@H]3CN4Cc3ccccc3)ccc21 2012706583 GKHXIFXTMUBSMO-SVFBPWRDSA-N 320.436 3.129 10 10 DGCE CCNCc1ccc(N2C[C@H](C)[C@H](F)C2)cc1Br 2035298215 WPWPFULNTRZYAH-IINYFYTJSA-N 315.230 3.353 10 10 DGCE CC(C)OC1CN(c2ccc([C@@H](C)N)c(Br)c2)C1 2040862741 DCTSVYKXRGJDNN-SNVBAGLBSA-N 313.239 3.082 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CC[C@@H]2CNC[C@H]2CC1 312787108 IMPMJBBWVCGCRE-GHMZBOCLSA-N 315.244 3.130 10 10 DGCE [N-]=[N+]=NCCCNC(=O)C1(c2ccc(Br)cc2)CC1 701303413 MXKBXKUKWDUXDQ-UHFFFAOYSA-N 323.194 3.297 10 10 DGCE CN[C@H](C)c1ccc(N(C)C[C@H]2OCC[C@H]2F)cc1Cl 2179112633 ZKDYDEVOMPTSJK-VCTAVGKDSA-N 300.805 3.184 10 10 DGCE NCc1cc(C2CCCC2)nn1Cc1c(O)cccc1Cl 2070153185 PMNYMILAHGZJMZ-UHFFFAOYSA-N 305.809 3.407 10 10 DGCE C[C@H](O)c1ccc(N2CCS[C@H]3COCC[C@H]32)cc1Cl 2170505237 ODXPPBYUTMAFBB-VQISRLSMSA-N 313.850 3.104 10 10 DGCE CCNCc1sc(N(C)Cc2ccccc2O)nc1Cl 2192594346 PSYHYYKHGLSQIU-UHFFFAOYSA-N 311.838 3.248 10 10 DGCE NCc1ccc(N2CCCC[C@H]2CF)c(F)c1Br 2051761099 JTACNXKVFDPLQA-JTQLQIEISA-N 319.193 3.375 10 10 DGCE NCc1ccc(N2CCC(OC(F)(F)F)CC2)c(Cl)c1 2239162521 LLRZUNBUOBPPAX-UHFFFAOYSA-N 308.731 3.304 10 10 DGCE COc1ccnc(CNCc2cc(Cl)cc(Cl)c2O)c1 2239285143 BPVQRXUGOUPGAF-UHFFFAOYSA-N 313.184 3.392 10 10 DGCE CSc1ncc(CNC[C@H]2CNc3ccccc3C2)s1 2284708849 CEXSRCXKPRMNJF-NSHDSACASA-N 305.472 3.239 10 10 DGCE CC(=O)Nc1cccc(N=Nc2c(C(=O)O)nc3ccccn23)c1 2320768195 YIAZAAFYHPENNY-UHFFFAOYSA-N 323.312 3.406 10 10 DGCE Cc1ccc(CN2CC(CCF)C2)c(O)c1Br 2307569843 LDTSFUZLEBJSIF-UHFFFAOYSA-N 302.187 3.255 10 10 DGCE C[C@]12C[C@H](C1)[C@@H](NCc1cc(Cl)cc(Cl)c1O)CO2 2337747891 ODBIDSYBRPISRU-DUFXMDAXSA-N 302.201 3.356 10 10 DGCE CCCC(=O)Nc1ccc(NC(=O)Cc2ccc(N)cc2)cc1 66153948 USRGFPVCIJKXBL-UHFFFAOYSA-N 311.385 3.189 10 10 DGCE Cc1csc(C(C)(C)NCc2ccc3c(c2)CCN3C)n1 123211814 SHADKSTVSWQURN-UHFFFAOYSA-N 301.459 3.469 10 10 DGCE Cc1ccc(O)c(NC2=NC(=O)/C(=C\c3ccco3)S2)c1 39869647 AWXLYDODTFHDEM-MDWZMJQESA-N 300.339 3.376 10 10 DGCE CN(CC(F)F)c1ccc(/C=C\C(=O)O)c(Br)c1 310606442 AKTLABQIEBHZOW-HYXAFXHYSA-N 320.133 3.248 10 10 DGCE C[C@@H](NCc1ccc(CN(C)C)cc1)c1cc(F)ccc1O 184895800 KQGSIXNNMISSLD-CYBMUJFWSA-N 302.393 3.444 10 10 DGCE CC(C)[C@H](NC(=O)COc1ccc(N)cc1)c1cccs1 38055803 GAVVCMJCACAQPI-INIZCTEOSA-N 304.415 3.223 10 10 DGCE COc1ccc(O)c(CN(C)Cc2nc3c(s2)CCCC3)c1 180195836 KASWKEPMJGHRKU-UHFFFAOYSA-N 318.442 3.368 10 10 DGCE Nc1ccc(CCNC(=O)Cc2ccc(Cl)c(Cl)c2)cc1 70579082 JWWDHRJJMRTBRI-UHFFFAOYSA-N 323.223 3.477 10 10 DGCE Cc1ccc([C@@H](C)N(C)S(=O)(=O)Cc2ccc(N)cc2)s1 40334596 PFZYCKMJVNNUST-GFCCVEGCSA-N 324.471 3.162 10 10 DGCE C[C@H](NCC1(C)OCCCO1)c1ccc(N2CCCCC2)cc1 190660833 NUWWBMNJSGJUFS-INIZCTEOSA-N 318.461 3.481 10 10 DGCE CCOc1ccc(O)c(CN[C@@H]2CCOC3(CCCC3)C2)c1 136691061 IFJHXBBWCLWVJX-OAHLLOKOSA-N 305.418 3.372 10 10 DGCE CCC[C@H](CC)NC(=O)N1CCN(c2ccc(OC)cc2)CC1 195286157 TTWZIBDXBKRMCC-HNNXBMFYSA-N 319.449 3.106 10 10 DGCE Cn1cc(CN(Cc2ccco2)Cc2ccccc2O)cc1C#N 191148024 CBXVPGSLDMEXHU-UHFFFAOYSA-N 321.380 3.398 10 10 DGCE CSCCC1CC(N(C)c2c(F)cc(CN)cc2F)C1 2370729268 DUQGINPYLPOARW-UHFFFAOYSA-N 300.418 3.391 10 10 DGCE CN(C)c1ccc([C@H](CN)N(Cc2ccccc2)C2CC2)cc1 383775058 KAMWZPUUTDTNLO-FQEVSTJZSA-N 309.457 3.417 10 10 DGCE Cc1cccc(CN2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1O 245867609 QQMLAXWETUJOLO-YJBOKZPZSA-N 300.446 3.149 10 10 DGCE C[C@@H]1CCCCN1C[C@H]1CCCN(Cc2ccccc2O)C1 245607646 MVNYOMITPIQXIU-SJORKVTESA-N 302.462 3.479 10 10 DGCE CCOc1cncc(N2CC=C(c3ccc(Cl)nc3)CC2)n1 367358672 NLHANBUPIXTLHE-UHFFFAOYSA-N 316.792 3.217 10 10 DGCE Cc1cc(O)c(CN[C@@H](C)c2nnc3n2CCCCC3)cc1C 363168009 SFIWRGWWCRKMBR-AWEZNQCLSA-N 314.433 3.178 10 10 DGCE Cc1cc(C)c([C@H](C)NC[C@@H]2COc3ccccc3O2)c(O)c1 815553895 MQJJTCRALZYAJX-LSDHHAIUSA-N 313.397 3.500 10 10 DGCE CC[C@@H]1[C@@H](CO)CCN1Cc1cc(OC)cc(C(C)(C)C)c1O 826043694 OQWIBBJQYDQVLY-CXAGYDPISA-N 321.461 3.291 10 10 DGCE CCCN(C)CC(C)(C)NCc1cc(Cl)cc(OC)c1O 827722956 ZOUUQBNRBFSYJQ-UHFFFAOYSA-N 314.857 3.264 10 10 DGCE CCc1cccc(CNCc2ccc(C(=O)OC)cc2F)c1O 827519351 LRNJTYGRFHMRPR-UHFFFAOYSA-N 317.360 3.170 10 10 DGCE Cn1nccc1[C@H]1CCCN1Cc1c(O)ccc2ccncc12 905741185 LWBOOMQQFFFHSC-QGZVFWFLSA-N 308.385 3.011 10 10 DGCE Cc1ncc(CCNC/C=C\c2ccc(N(C)C)cc2)s1 835041062 JSNFBVIJWWVURO-PLNGDYQASA-N 301.459 3.363 10 10 DGCE CCc1cccc(CN[C@@H](C)c2ccc(-n3ccnn3)cc2)c1O 848900967 SKWIPPNAVFIJEZ-AWEZNQCLSA-N 322.412 3.386 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CC[C@H]3C[C@H]3C2)cc1 844855882 CECPOLPHKJHBMP-XHSDSOJGSA-N 316.445 3.026 10 10 DGCE C[C@H](O)[C@@H](NC/C=C/c1ccc(N(C)C)cc1)c1ccccc1 850419853 HZKXGZLGJDRDLA-KJOHCHSBSA-N 310.441 3.478 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@@H](C)c3cncc(C)c3)C2)cc1 850488917 PMMYDYJQYAPELR-DOTOQJQBSA-N 311.429 3.328 10 10 DGCE C[C@@H]1C[C@@H](NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)c2c(O)ccc(F)c21 926937551 PDXLWPUOIXBVMF-GEJOOGBSSA-N 303.377 3.260 10 10 DGCE C[C@@H]1CC[C@H](C(N)=O)CN1Cc1cc(-c2ccccc2)ccc1O 768443047 YBQMOZWONSGMHX-PBHICJAKSA-N 324.424 3.145 10 10 DGCE C[C@H](NC(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@@H]12)c1ccccc1O 868423344 ZHIMRDAQXKACAE-SPVIKVHDSA-N 322.408 3.338 10 10 DGCE C[C@@H]1C[C@@H](CN(Cc2ccccc2O)C[C@@H]2CCCO2)CCO1 778991587 AQNPFXNPPHPUKK-RYRKJORJSA-N 319.445 3.188 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccnc(F)c1 1124549116 CHBDNGIFFIKYPL-UHFFFAOYSA-N 313.376 3.093 10 10 DGCE COc1ccc(CN[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)cc1C 1774440867 HXVZDMNAKBLEFP-GASCZTMLSA-N 320.433 3.149 10 10 DGCE CCC1CN(c2ccc(C=CC(=O)O)cc2Br)C1 1912066490 LAHBLINLQMWSJN-UHFFFAOYSA-N 310.191 3.393 10 10 DGCE COc1ccc(CNC[C@@H](C)N(C)C(=O)[C@H](C)C(C)C)cc1C 1271128517 CZFLNOPHRDOPCE-HZPDHXFCSA-N 320.477 3.232 10 10 DGCE CC[C@@H](F)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1354113816 OKEMHOWVVZAKJQ-OAHLLOKOSA-N 311.312 3.149 10 10 DGCE C[C@@H](CO)N(Cc1ccccc1)c1ccc(CO)cc1Cl 1914219714 CPODCYAFFJYGHV-ZDUSSCGKSA-N 305.805 3.220 10 10 DGCE C[C@H](CC(=O)NCc1cc(O)ccc1O)c1ccc(F)cc1F 1455355641 DSKVDMOLROTPFU-SNVBAGLBSA-N 321.323 3.186 10 10 DGCE Cc1cc2nc(NC(=O)c3cccc(O)c3O)sc2cc1F 1457077422 APBWPWLFFHMZOR-UHFFFAOYSA-N 318.329 3.407 10 10 DGCE COC1(C(=O)NCc2ccc(N(C)C)cc2C)CCCCCC1 1521374415 IYQXTRGTZFOAQC-UHFFFAOYSA-N 318.461 3.417 10 10 DGCE CNc1cc(Cl)ccc1C(=O)NCc1cccc(OC)c1O 1465993946 ZGEFBZKPRKBUQD-UHFFFAOYSA-N 320.776 3.026 10 10 DGCE Cc1ccc(C(=O)N2Cc3ccc(Cl)cc3C2)c(O)c1O 1629605512 REBGYBYAJYBOIG-UHFFFAOYSA-N 303.745 3.216 10 10 DGCE C[C@H](NC(=O)c1cc(O)cs1)c1ccc(C(F)(F)F)nc1 1633876583 LKQLHJHTFDKXBY-ZETCQYMHSA-N 316.304 3.359 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1cnc(C2CC2)[nH]1 1639384427 JXNJSYIULJEBKI-UHFFFAOYSA-N 307.353 3.076 10 10 DGCE C[C@H](NC(=O)c1cc(O)nc2ccccc12)c1ccccc1O 1642827595 MIHBIGZXJQDWDZ-NSHDSACASA-N 308.337 3.137 10 10 DGCE Cc1ccc(O)c(CNC(=O)NCc2ccc3[nH]c(C)cc3c2)c1 1682349724 WHGXGDWDTLFACL-UHFFFAOYSA-N 323.396 3.490 10 10 DGCE C[C@H](CCN(C)C(=O)OC(C)(C)C)NCc1ccc(N)cc1 1960846278 SVVJUIFRUAINCO-CYBMUJFWSA-N 307.438 3.004 10 10 DGCE CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(\C)NC1CC1 17030682 TTZCRYBXMPXHHW-LFIBNONCSA-N 301.365 3.354 10 10 DGCE CC[C@H](Oc1ccccc1)C(=O)NCc1ccc(N(C)C)cc1 18214864 GUHXUHZKQWUCLX-SFHVURJKSA-N 312.413 3.226 10 10 DGCE CC(=O)CCC(C)(C)C(=O)NCc1ccc(N(C)C)cc1C 160079603 QFNOWDRLMQCZIO-UHFFFAOYSA-N 304.434 3.073 10 10 DGCE C[C@H](Oc1ccc(Cl)c(F)c1)C(=O)Nc1ccc(N)cc1 156208474 DBEZOJVGTIWRRT-VIFPVBQESA-N 308.740 3.467 10 10 DGCE Cc1ccc(O)c(CN[C@@]23C[C@H]2CN(Cc2ccccc2)C3)c1 1939379726 HNNAIRFULCDOPY-AZUAARDMSA-N 308.425 3.065 10 10 DGCE CCN[C@@H](c1ccccc1O)[C@H]1CCCN1C(=O)OC(C)(C)C 1936973848 LUNWUPNPGLXONV-ZBFHGGJFSA-N 320.433 3.442 10 10 DGCE C[C@H]1CN(CCCN=[N+]=[N-])C[C@]1(C)CNC(=O)OC(C)(C)C 1962304979 PYWVJKYRCGLLHH-WFASDCNBSA-N 311.430 3.170 10 10 DGCE CN(C)c1ccc([C@H](N)c2csc(C(F)(F)F)n2)cc1 2144135444 XACUKZUMRQUPGM-NSHDSACASA-N 301.337 3.276 10 10 DGCE C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H](N)c1ccc(N(C)C)cc1 1977944119 AWLWETKCMCQQBG-CZUORRHYSA-N 321.465 3.303 10 10 DGCE C[C@H]1CC(F)(F)CN1c1ccc(CO)cc1Br 2004627281 IICDNOXHJXJXHO-QMMMGPOBSA-N 306.150 3.175 10 10 DGCE CN(C)c1ccc([C@@H](O)Cc2cnn(Cc3ccccc3)c2)cc1 1999511268 CVRSLMYYTMLNTF-FQEVSTJZSA-N 321.424 3.274 10 10 DGCE CN1CCc2cc([C@H](O)[C@@H](N)c3csc(Cl)c3)ccc21 2154437200 TWNQKICXEYZXAM-GJZGRUSLSA-N 308.834 3.127 10 10 DGCE CO[C@@H](C1CC1)C(F)(F)CNCc1ccc(Cl)cc1O 2155491084 PQYPGYRDMNACHB-ZDUSSCGKSA-N 305.752 3.196 10 10 DGCE C[C@H]1CCN(c2cc(Br)c(CN)cc2F)[C@@H]1C 380560483 TZHPELGZDXNTOP-DTWKUNHWSA-N 301.203 3.282 10 10 DGCE CNCc1ccc(N(C)CC2CSC2)c(C(F)(F)F)c1 718226509 YKGYFCJNOIUJFP-UHFFFAOYSA-N 304.381 3.224 10 10 DGCE CO[C@H]1CC[C@H]1N(C)c1ccc([C@@H](C)N)c(Br)c1 724225515 XJQMFHPBDKPRKK-FZQKWOKYSA-N 313.239 3.082 10 10 DGCE O=C(Nc1ccc(O)c(O)c1)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2 2064712351 PGBAQNVOZMDBLQ-QQJLWGBUSA-N 305.349 3.345 10 10 DGCE C[C@@H]1CC(N(C)c2cc(Cl)c(CN)cc2F)C[C@@H](C)O1 2177383837 RMGKWOTUAIQEPO-NXEZZACHSA-N 300.805 3.330 10 10 DGCE CCCO[C@H]1CCCN(c2cc(Cl)c(CN)cc2F)C1 2177386344 ZUKQHQMBPZSFCX-LBPRGKRZSA-N 300.805 3.333 10 10 DGCE Oc1cccc2c1[C@@H](NC[C@@]1(Br)CC1(F)F)CC2 2082494617 RUPYAAUYKXSTHI-CABZTGNLSA-N 318.161 3.142 10 10 DGCE CCCc1nc(C(=O)Cc2ccc(N)cc2)c(Br)[nH]1 2087661044 RZTFAAGMOCLRNH-UHFFFAOYSA-N 322.206 3.132 10 10 DGCE CC[C@H](O)CN(Cc1ccccc1)c1ccc(OC)cc1C=O 2211290901 AEQZBCZINDAKGE-KRWDZBQOSA-N 313.397 3.285 10 10 DGCE Cc1ccc(Br)c(C(=O)N(C)c2ccc(N)cc2)n1 2112724945 PKLONYDWELWZPK-UHFFFAOYSA-N 320.190 3.011 10 10 DGCE CSc1ncc(CNC[C@H]2CC[C@@H](C(F)(F)F)O2)s1 2208786736 PKJBQUNZUFEKMV-APPZFPTMSA-N 312.382 3.065 10 10 DGCE COc1ccc(N2CCC(C)=C(Br)C2)c(C=O)c1 2220427804 CSWAKRFKOGMQGV-UHFFFAOYSA-N 310.191 3.387 10 10 DGCE C[C@@H](CCc1ccccc1)NC(=O)C=Cc1ccc(O)c(O)c1 2307978596 MIZUXGAPHCZFJQ-AWEZNQCLSA-N 311.381 3.249 10 10 DGCE C[C@@H]1CN(C(=O)C=Cc2ccc(O)c(O)c2)[C@@H]1c1ccccc1 2307987960 VICGHQFUCQZQKK-YJYMSZOUSA-N 309.365 3.331 10 10 DGCE CC[C@@H](c1ccncc1)N(C)C(=O)C=Cc1ccc(O)c(O)c1 2308001542 RUSSNRLKVYIQQS-HNNXBMFYSA-N 312.369 3.116 10 10 DGCE CC1=NN(Cc2ccccc2)C(=O)C1=Cc1cccc([N+](=O)[O-])c1 2332134512 FEPWOTOYUMAKEN-UHFFFAOYSA-N 321.336 3.397 10 10 DGCE CC1=NN(c2ccccc2[N+](=O)[O-])C(=O)/C1=C/c1cccs1 102037973 NBCXHMGLHPGHAO-FMIVXFBMSA-N 313.338 3.462 10 10 DGCE COCC(C)(C)N(C)c1ccc([C@@H](C)N)cc1Br 310825478 KOWGRQDYMWNLDR-SNVBAGLBSA-N 315.255 3.330 10 10 DGCE Oc1cccc(Cl)c1CNc1cccnc1-n1cccn1 127293587 OGVBDKKAEILKII-UHFFFAOYSA-N 300.749 3.238 10 10 DGCE CN1CCN([C@H](c2ccccc2O)c2c[nH]c3ccccc23)CC1 71704388 CKLNPIJDRNOPGU-HXUWFJFHSA-N 321.424 3.210 10 10 DGCE CCN[C@H](CSc1nccs1)c1ccc2c(c1)OCCO2 81889463 QJRCHPKIZWPYLE-GFCCVEGCSA-N 322.455 3.357 10 10 DGCE C[C@@H](NC/C=C/CNC(=O)OC(C)(C)C)c1ccc(F)cc1O 227759723 ZZHVEQKMGFEFSJ-BTDICHCPSA-N 324.396 3.263 10 10 DGCE C[C@@H](N[C@@H]1CCc2cccc(O)c21)c1nnc2n1CCCCC2 323921085 VDAUIUILEZNNII-TZMCWYRMSA-N 312.417 3.048 10 10 DGCE CN(C)c1ccc(CNC(=O)c2ccc(C(C)(C)C)cn2)cc1 1348910845 OJOSAOAOUHCKBE-UHFFFAOYSA-N 311.429 3.375 10 10 DGCE Cc1cc(NC(=O)c2ccc(O)c(O)c2)ccc1Br 226951631 PNJUOXIZPSOJFU-UHFFFAOYSA-N 322.158 3.421 10 10 DGCE CC(C)(C)OC(=O)N1CCC(NCc2cccc(F)c2O)CC1 226606709 FJZWRXBMSNNIIS-UHFFFAOYSA-N 324.396 3.020 10 10 DGCE CC[C@@H](C)[C@@H]1CN(c2cc(Cl)c(OC)cc2OC)CCN1 86129515 BUUMYXCWPRDURB-YPMHNXCESA-N 312.841 3.182 10 10 DGCE CCCNCc1ccc(N(C)CCOC)c(Br)c1 233104278 MNRIBVKRNQUNLV-UHFFFAOYSA-N 315.255 3.031 10 10 DGCE CNCc1ccc(N(C)CC(F)(F)F)cc1Br 234401119 UGQQTDGFRZPWNM-UHFFFAOYSA-N 311.145 3.167 10 10 DGCE CCN(C)c1ccc([C@@H](C)NC[C@@H](O)Cc2ccccc2)cc1 246924442 GPCXQAFOTYANPT-UZLBHIALSA-N 312.457 3.397 10 10 DGCE COC[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccccc1 273447795 FLNOIHAAEABZBF-WBMJQRKESA-N 316.357 3.339 10 10 DGCE CCCN(CCc1ccccn1)Cc1cc(OC)ccc1O 289802330 MVZWCDSOTYKXDW-UHFFFAOYSA-N 300.402 3.251 10 10 DGCE C[C@@H](NC(=O)NCCC1(F)CCC1)c1ccc(N(C)C)cc1 805310396 SCGMYIFUNRCTRG-CYBMUJFWSA-N 307.413 3.395 10 10 DGCE O=C(NCCC1(F)CCC1)NCc1ccc(N2CCCC2)cc1 804967404 QTJJWRZCOJCYQR-UHFFFAOYSA-N 319.424 3.368 10 10 DGCE C[C@H](N[C@H]1CNCC[C@H]1C)c1ccc(N2CCCCC2)c(F)c1 817967210 FOCKMFTUGGSIET-VKJFTORMSA-N 319.468 3.465 10 10 DGCE O[C@@H](CNCCCSc1nccs1)CC1CCCC1 819064447 YCWHABGRTKWXMH-CYBMUJFWSA-N 300.493 3.156 10 10 DGCE Cc1ccc(Cl)cc1N(C)C(=O)/C=C\c1cncc(O)c1 818817648 ZTVTWVRNARRHCB-XQRVVYSFSA-N 302.761 3.425 10 10 DGCE c1ccc(CN2CCc3cc(CN4CCO[C@H]5C[C@@H]54)ccc32)cc1 814172211 CQDPRYGLZZTRJE-SFTDATJTSA-N 320.436 3.222 10 10 DGCE CN(Cc1ccccc1O)C(=O)Nc1nc(C(F)(F)F)co1 821450883 DREPGSQORAWAQK-UHFFFAOYSA-N 315.251 3.063 10 10 DGCE C[C@@H](NC(=O)c1onc2c1CCCC2)c1ccc(N(C)C)cc1 832431860 WWBBASQQOQEYFF-GFCCVEGCSA-N 313.401 3.110 10 10 DGCE C/C(=C/C(=O)N(CC(C)C)c1ccc(F)cn1)c1cnccn1 844640655 FXQSJNUZOKYBHK-JYRVWZFOSA-N 314.364 3.103 10 10 DGCE CC[C@H](N[C@H]1CCN(c2ccc(OC)cc2)C1)c1ccncc1 850488866 VKROJCFGKRFYNT-LPHOPBHVSA-N 311.429 3.410 10 10 DGCE CC[C@H](N[C@H](COC)C1CCOCC1)c1ccc(N(C)C)cc1 850491697 ILJZLHPBVQDPLK-RBUKOAKNSA-N 320.477 3.235 10 10 DGCE C[C@@H](NC(=O)NC[C@]1(C)CCCCO1)c1ccc(N(C)C)cc1 922056247 WYUAJCOPZPMRLP-KDOFPFPSSA-N 319.449 3.072 10 10 DGCE COC(=O)C1=CC[C@@H](NCc2cc(-c3ccccc3)ccc2O)C1 862464528 ATOCPIUOYHIXJC-GOSISDBHSA-N 323.392 3.411 10 10 DGCE CC(=O)N1CCc2c(NCc3cccc(F)c3O)cccc21 769554877 BHOORUZGEFFPMD-UHFFFAOYSA-N 300.333 3.052 10 10 DGCE Cc1cc(Br)c(O)c(CN2CC[C@@H]2C(F)F)c1 895431293 KYRCXRQSPWTXSC-SNVBAGLBSA-N 306.150 3.303 10 10 DGCE Cc1cc(Br)c(O)c(CN[C@@H]2CSC[C@@H]2C)c1 796480963 BOKJBRDRMRXJNF-JOYOIKCWSA-N 316.264 3.304 10 10 DGCE Cc1cccc(CN[C@H]2C[C@H](C)N(Cc3ccccc3)C2)c1O 398005254 GRDZMXAUVPVJRG-LPHOPBHVSA-N 310.441 3.453 10 10 DGCE CC[C@@H](C)n1ncc(C(=O)NCc2ccc(N(C)C)cc2)c1C 790200235 SBVCNGWHELUMSM-CYBMUJFWSA-N 314.433 3.159 10 10 DGCE CCOC(=O)[C@@](C)(C[C@H](C)Sc1nccs1)NC1CC1 68639649 SWBCDEHWRRFVDT-IINYFYTJSA-N 314.476 3.088 10 10 DGCE O=C(CCOc1ccccc1F)NCc1cc(Cl)ccc1O 1146230888 ACSHIHXGWTWVMV-UHFFFAOYSA-N 323.751 3.270 10 10 DGCE O=C(NCc1c(O)cccc1F)c1nccc2ccsc12 1303875731 MPNJGPSFYXOHBS-UHFFFAOYSA-N 302.330 3.071 10 10 DGCE CN(C)CC1CC(NCc2cc(Cl)cc(Cl)c2O)C1 1913697954 FIEQQOBQTDXNEG-UHFFFAOYSA-N 303.233 3.129 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1C[C@@H](O)C1(C)C 1448027989 NRELICAQZBMGBS-ZIAGYGMSSA-N 318.442 3.045 10 10 DGCE CCOc1cc(CNCc2ccc(OC)cc2)ccc1N(C)C 211997659 DQHCYADESJWZNA-UHFFFAOYSA-N 314.429 3.450 10 10 DGCE CC(C)[C@]1(C)C[C@@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 1468806868 BCIBEODESPBHCF-HOCLYGCPSA-N 305.399 3.477 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21 1464505984 LMVUYYTYJCNBBC-QFACEVIFSA-N 312.457 3.393 10 10 DGCE O=C(CCCc1ccccc1Cl)NCc1cccc(O)c1O 1558160791 AERREYOABFHERM-UHFFFAOYSA-N 319.788 3.390 10 10 DGCE COc1ccc(CNC[C@H](C)CNC(=O)C2CCCC2)cc1C 1482074016 VZOTZFHFCYINSF-AWEZNQCLSA-N 318.461 3.036 10 10 DGCE Cc1ccc(O)c(CNC(=O)Cc2c[nH]c3cccc(C)c23)c1 1633283220 XPBMBRRSKYCFHP-UHFFFAOYSA-N 308.381 3.349 10 10 DGCE C[C@H]1C[C@@H]1c1ccc(CCC(=O)NCc2cc(O)ccc2O)o1 1633595294 QLGUVAINTJEGEH-NHYWBVRUSA-N 315.369 3.063 10 10 DGCE CCCn1ncc(C(=O)NCc2c(O)ccc3ccccc23)c1C 1639387536 NGPKLUIONOZFAB-UHFFFAOYSA-N 323.396 3.390 10 10 DGCE O=C(CCc1ccccc1)NCc1ccc2cccnc2c1O 1630528491 SJMZDQWGHDFRFV-UHFFFAOYSA-N 306.365 3.189 10 10 DGCE CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(O)cs1 1641089799 WWPYIDQZGFRKFO-UHFFFAOYSA-N 321.358 3.435 10 10 DGCE Cc1cc(C(=O)NCc2cccc(Cl)c2O)cc([N+](=O)[O-])c1 1647826651 DEGZYKSBIBSACQ-UHFFFAOYSA-N 320.732 3.192 10 10 DGCE NC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1O)N2 14473789 QPKZKAAFIFBJDI-JCGVRSQUSA-N 306.365 3.318 10 10 DGCE CC(C)c1csc(NC(=O)[C@@H](C)Oc2ccc(N)cc2)n1 1860083572 RPTRLBADXVTYMV-SNVBAGLBSA-N 305.403 3.255 10 10 DGCE CN(CCCC(=O)Nc1ccc(N)cc1)OCc1ccccc1 1937153733 OJTGVMYOONPLMM-UHFFFAOYSA-N 313.401 3.051 10 10 DGCE Cc1[nH]c2ccccc2c1C1=CCN(c2nccnc2CN)CC1 1120826915 HEWIZUAWHUCMPJ-UHFFFAOYSA-N 319.412 3.019 10 10 DGCE COCCC1CC(NCc2cc(Br)ccc2O)C1 1875905723 NFLVYSNWDSOJMX-UHFFFAOYSA-N 314.223 3.059 10 10 DGCE Oc1cccc(Br)c1CNC[C@@H]1C[C@@]12CC2(F)F 1876070291 RUUJGRXXJAGNMW-QPUJVOFHSA-N 318.161 3.290 10 10 DGCE CN(CCN=[N+]=[N-])[C@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1962297766 ANSMBLHOPJRTQW-CLLJXQQHSA-N 309.414 3.159 10 10 DGCE Oc1ccc(Br)cc1CN[C@@H]1CC[C@@H]2[C@@H]1C2(F)F 1967819835 MPGXVXZBADHUTO-FOGDFJRCSA-N 318.161 3.288 10 10 DGCE O=C(O)[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)C12CC2 1974101060 RQJZPGXFFZYJND-JTQLQIEISA-N 316.184 3.138 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(N)cc2)[C@@H]2C[C@H]21 1974961877 YXHWSYPFSPDQOB-SOUVJXGZSA-N 303.406 3.079 10 10 DGCE CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](O)c1ccc(N(C)C)cc1 1977959143 QNQSXZWXJPWCFU-CZUORRHYSA-N 322.449 3.337 10 10 DGCE O=C(O)c1ncc(Br)cc1Sc1nccs1 1979859794 FWOJPAISCKYGRA-UHFFFAOYSA-N 317.189 3.150 10 10 DGCE CC(C)NCc1ccc(N(C)Cc2csnn2)cc1Cl 2150306191 ZIJYNWTXIOYQQV-UHFFFAOYSA-N 310.854 3.326 10 10 DGCE CNCc1ccc(N(C)CCOCc2ccccc2)cc1OC 1994425722 RWUCZWLVCCDVOK-UHFFFAOYSA-N 314.429 3.068 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CC[C@H](NCc2ccc(F)cc2O)C1 1994524702 NPPPNNVWXYVLCB-KBPBESRZSA-N 324.396 3.067 10 10 DGCE C[C@H](CN(C)Cc1cc(Br)ccc1O)C(F)F 2012204270 XBQXOJPYHNECTC-MRVPVSSYSA-N 308.166 3.488 10 10 DGCE CC[C@H](C)N(CCOC)Cc1c(O)cccc1Br 707157040 ZIPPXHYOVJNWHV-NSHDSACASA-N 316.239 3.402 10 10 DGCE Oc1c(Br)cccc1CNC1C[C@H]2[C@H](C1)C2(F)F 710483557 ZBZDVGWSPSZFFM-UWVGGRQHSA-N 318.161 3.288 10 10 DGCE CN1C(=O)C(=Cc2sccc2Br)SC1=S 2309045068 KJBCHEIDBNAZRZ-UHFFFAOYSA-N 320.258 3.342 10 10 DGCE CP(C)(=O)[C@@H]1CCCN(c2ccc(CN)c(Cl)c2)C1 2103089740 GSVHNZYBPSLPSJ-CYBMUJFWSA-N 300.770 3.390 10 10 DGCE C[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)[C@H](C)[C@H]1N 2095701195 DONMAGRSSRVNSM-KKFJDGPESA-N 303.233 3.257 10 10 DGCE CN1CCc2cc(N(Cc3ccccc3)CC(C)(C)O)ccc21 2210911048 ZYJVXCANHKLZCN-UHFFFAOYSA-N 310.441 3.456 10 10 DGCE Nc1ccc(CC(=O)OC2CCN(Cc3ccccc3)CC2)cc1 2250361123 JVLUAEVPKHYQHR-UHFFFAOYSA-N 324.424 3.019 10 10 DGCE CSc1ncc(CNCCC2CCC(CO)CC2)s1 2269300714 FCXHOXRVAFMZQA-UHFFFAOYSA-N 300.493 3.143 10 10 DGCE CSc1ncc(CNc2c([N+](=O)[O-])cnn2C(C)C)s1 2284634552 DAWIYVCPFDQEAT-UHFFFAOYSA-N 313.408 3.163 10 10 DGCE CSc1ncc(CNC[C@@H]2CNC[C@@H](C(C)(C)C)C2)s1 2284720876 JOXYHTOVRHXCTA-RYUDHWBXSA-N 313.536 3.226 10 10 DGCE COC(OC)[C@H]1CCCC[C@H]1NCc1cnc(SC)s1 2284701229 ZHEUBRQXPXKLQI-NWDGAFQWSA-N 316.492 3.132 10 10 DGCE COc1cccc(CNC(=O)C=Cc2ccccc2Cl)c1O 2301549661 MAXRXAZHLWWXRS-UHFFFAOYSA-N 317.772 3.384 10 10 DGCE CN(C[C@H]1C[C@H](F)C1)c1ccc(CN)cc1Br 2307375136 GDDIJGQBOUABAU-XYPYZODXSA-N 301.203 3.092 10 10 DGCE CCOc1cccc(C=C2SC(=S)N(C3CC3)C2=O)c1 2323857959 ILSCPHDOFRPRCY-UHFFFAOYSA-N 305.424 3.449 10 10 DGCE Cc1ccc(CN(C)c2ccncc2)c(O)c1Br 2327585366 GNEMLDMRLYCZPA-UHFFFAOYSA-N 307.191 3.495 10 10 DGCE CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2c2cn[nH]c2)c1O 175673210 JEHINFUEVZOEOD-MRXNPFEDSA-N 317.364 3.184 10 10 DGCE C[C@@H](NCCCNC(=O)c1cccs1)c1cc(F)ccc1O 186032060 LXAXAZKOQKXRCA-LLVKDONJSA-N 322.405 3.064 10 10 DGCE C[C@H](N[C@H]1CCN(CC2CCCC2)C1)c1cc(F)ccc1O 185595400 PEYHWRRXXUPDKU-BBRMVZONSA-N 306.425 3.446 10 10 DGCE CSC[C@H](C)NCc1cc(C)cc(Br)c1O 134750483 KOZVZLIKTWGVRI-VIFPVBQESA-N 304.253 3.304 10 10 DGCE Cc1cc(O)c(CN2CC[C@](O)(C(F)(F)F)C2)cc1C(C)C 191435182 UHZQXPUGRJIFJW-OAHLLOKOSA-N 317.351 3.323 10 10 DGCE CC1CCN(CCCN[C@@H](C)c2ccc(F)c(F)c2O)CC1 191188115 HPNQQFJDVGDSPF-ZDUSSCGKSA-N 312.404 3.443 10 10 DGCE COc1ccc(N2CCC[C@@H](O)[C@@H]2C(F)(F)F)cc1Cl 2370181430 UCIBPNRUNRJLSJ-ZYHUDNBSSA-N 309.715 3.241 10 10 DGCE C[C@H](C1CC1)N(C)c1ccc(CN)c(Br)c1F 231839023 FMHXAWJSQSYHGV-MRVPVSSYSA-N 301.203 3.282 10 10 DGCE COc1ccc(CN(C[C@H]2CCCO2)C2CCCC2)c(O)c1 93666236 WVLFYSZWCXKUHB-QGZVFWFLSA-N 305.418 3.324 10 10 DGCE COc1cc(Cl)cc(CN2CC(Cc3ccco3)C2)c1O 529649323 RLFHOPJPBSUWDX-UHFFFAOYSA-N 307.777 3.322 10 10 DGCE COc1ccccc1[C@H](O)CN[C@@H](C)c1c(C)cc(C)cc1O 284033536 JKFHWHRWMTZFRL-WMLDXEAASA-N 315.413 3.402 10 10 DGCE C[C@@H](c1ccc(OCc2ccccc2)cc1O)N1CCOCC1 396697078 PGQOPIQCCOSNBX-HNNXBMFYSA-N 313.397 3.364 10 10 DGCE CN(CCCF)c1ccc(/C=C/C(=O)O)c(Br)c1 714793346 XPCALCWDSOTPOH-GQCTYLIASA-N 316.170 3.343 10 10 DGCE Cc1c(C)n(C)c2ccc(OC(=O)[C@@H](C)c3cncnc3)cc12 817760958 GFRXPBBAATZCQC-LBPRGKRZSA-N 309.369 3.294 10 10 DGCE CN(C[C@@H]1COCCO1)c1ccc(OCc2ccccc2)cc1 829092785 OEBCVWGWQBTCQU-LJQANCHMSA-N 313.397 3.117 10 10 DGCE Cc1ccccc1[C@H](CO)NC/C=C\c1ccc(N(C)C)cc1 835042090 GPWCQXMRAYUWFH-LZVBJTEYSA-N 310.441 3.397 10 10 DGCE CC[C@H](N[C@@H]1C[C@H](C)c2c(F)ccc(O)c21)[C@@H](O)C(F)F 834875505 QBVGVDJPIPGKHC-ZIMMKZDOSA-N 303.324 3.074 10 10 DGCE COc1ccc2c(c1)CCC[C@H]2CC(=O)NCc1ccc(N)cc1 837302784 GSOXXPKJEYOCNZ-INIZCTEOSA-N 324.424 3.404 10 10 DGCE O=C(NCc1ccccc1O)N[C@@H]1CCSC2(CCC2)C1 915525823 SNGGHUODPZLVKH-CYBMUJFWSA-N 306.431 3.010 10 10 DGCE Cc1cc(O)c(CN[C@@H]2CCc3nc(C)ncc3C2)c(Cl)c1 840873417 AZDMYVMGNUBVLF-CYBMUJFWSA-N 317.820 3.100 10 10 DGCE C[C@@H](NC[C@@H]1Cc2ccccc2CO1)c1cc(F)ccc1O 858453921 QLVSJOZJAKYGHZ-WBMJQRKESA-N 301.361 3.323 10 10 DGCE C[C@H]1C[C@H](NCc2ccc(N3CCC(O)CC3)cc2)CCS1 922838895 OXWADVUMCINHRV-GOEBONIOSA-N 320.502 3.021 10 10 DGCE Cc1cccc(-n2c(C)cc(C(=O)N3CC4(CCCO4)C3)c2C)c1 862820299 BNGALFFGTUTHIC-UHFFFAOYSA-N 324.424 3.408 10 10 DGCE CN(C)c1ccc(CN2CCC[C@@]3(CCCOC3)C2)cc1F 769485724 OIMUSOMICOOTET-GOSISDBHSA-N 306.425 3.284 10 10 DGCE O=C(NCc1cc(Br)ccc1O)[C@@]12CCCC[C@H]1C2 868307002 LDBJUHVCTHENKU-XHDPSFHLSA-N 324.218 3.351 10 10 DGCE COC(=O)c1ccc(O)c([C@@H](C)NCC[C@H]2CCCS2)c1 866481745 VRJZTGYQKAGQTK-DGCLKSJQSA-N 309.431 3.115 10 10 DGCE C[C@H]1CC2(CCC2)CN1Cc1ccc(N2CCOCC2)c(F)c1 763646217 KUJQYLRPJYZVEN-HNNXBMFYSA-N 318.436 3.427 10 10 DGCE O=C(c1cc(O)cs1)N1Cc2ccccc2N2CCC[C@H]2C1 882821137 MFIAHFZOGPCTNS-ZDUSSCGKSA-N 314.410 3.079 10 10 DGCE CO[C@@H](C)[C@H](C)N[C@@H](C)c1cc(Br)c(F)cc1O 786574833 GQQRLOJFGBESKX-CIUDSAMLSA-N 320.202 3.368 10 10 DGCE COc1ccc(N(CC(C)C)C[C@H](O)CC(F)(F)F)cc1 787258735 CETQRQPBMOPKNK-CYBMUJFWSA-N 305.340 3.471 10 10 DGCE COCCOc1cccc(CN[C@@H](C)c2ccccc2O)c1 783505997 YEPOTPMWMJKNLD-AWEZNQCLSA-N 301.386 3.268 10 10 DGCE C[C@H](NC[C@@H](C)N(C)Cc1ccccc1)c1ccc(O)cc1O 390528808 KOYVZXISPCEOMY-CABCVRRESA-N 314.429 3.269 10 10 DGCE COc1cnccc1[C@@H](C)NCc1c(O)ccc(Cl)c1F 790993322 TXAQEEUCKBSMJU-SECBINFHSA-N 310.756 3.439 10 10 DGCE CC[C@@H]1C[C@H](N(C)Cc2ccc(Br)cc2O)CO1 691684968 XFZRHBVXQCRKPX-QWHCGFSZSA-N 314.223 3.154 10 10 DGCE Oc1cccc(Cl)c1CN[C@H]1CCOC[C@H]1C(F)(F)F 1916617635 UTOJPJKAAOHRBT-KOLCDFICSA-N 309.715 3.103 10 10 DGCE C[C@@H](N)c1ccc(N(C)CCn2cccc2)cc1Br 2115197046 JBVQMIKPNXFEEZ-GFCCVEGCSA-N 322.250 3.407 10 10 DGCE CC1(F)CCN(c2ccc(CN)c(Br)c2)CC1 1946948607 OKSDIOAEJIOQTH-UHFFFAOYSA-N 301.203 3.236 10 10 DGCE CCN[C@H](c1ccccc1O)[C@@H]1C[C@H](C)N1C(=O)OC(C)(C)C 1913596150 PYOZVKCMFGHKGB-DUVNUKRYSA-N 320.433 3.441 10 10 DGCE C[C@H](Cc1cccc(Cl)c1)C(=O)NCc1cc(O)ccc1O 1455357947 YLDKQUGGBHDAJH-LLVKDONJSA-N 319.788 3.246 10 10 DGCE CC[C@@H](C)NCc1ccc(N2CCOCC2)c(OC(C)C)c1 212147634 VLZNDUFSYFADDV-OAHLLOKOSA-N 306.450 3.199 10 10 DGCE COC(=O)c1cnc(Sc2nc3ccccc3nc2F)s1 1458390506 DEAFXZIDGPZALH-UHFFFAOYSA-N 321.358 3.163 10 10 DGCE Cc1cc(N(Cc2ccccc2)[C@H](CO)C(C)C)ccc1CN 1915326289 VFUHHACUDLQWAV-HXUWFJFHSA-N 312.457 3.477 10 10 DGCE CC(C)(O)CN(Cc1ccccc1)c1ccc(CN)c(F)c1 1915405389 ZDDMPFKQIWYVEO-UHFFFAOYSA-N 302.393 3.062 10 10 DGCE Cc1cccc(CNCC[C@@H](C)NC(=O)OC(C)(C)C)c1O 224803435 SRZQNAFTMVROCP-CYBMUJFWSA-N 308.422 3.094 10 10 DGCE CCC1(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)COC1 1531612006 JBHXXZZBCUGPDY-UHFFFAOYSA-N 312.413 3.137 10 10 DGCE O=C(/C=C\c1cccnc1)N1CCCc2c1cc(F)c(F)c2F 1544733756 LNMALXKDXUWBNX-WAYWQWQTSA-N 318.298 3.492 10 10 DGCE COc1ccc(CNCCN(C)C(=O)CC(C)=C(C)C)cc1C 1493657029 DCRGEEXLMTWUNK-UHFFFAOYSA-N 318.461 3.298 10 10 DGCE C[C@H]1CC(=O)CC[C@H]1C(=O)NCc1c(O)ccc2ccccc12 1635965318 VNASLQHOCCZDOT-SWLSCSKDSA-N 311.381 3.167 10 10 DGCE COc1ccc2cc(C(=O)N3Cc4cccc(O)c4C3)[nH]c2c1 1636230974 LXHLYGAEUCOBHF-UHFFFAOYSA-N 308.337 3.038 10 10 DGCE Cc1ccc(CC(=O)N2Cc3cccc(O)c3C2)cc1Cl 1650674686 LWWJWSVWESANMN-UHFFFAOYSA-N 301.773 3.439 10 10 DGCE Cc1cccc(CNCc2ccc(Br)cc2O)c1O 2139762681 UONQRKAMIZDPOX-UHFFFAOYSA-N 322.202 3.459 10 10 DGCE COc1ccc(N(C)C(=O)Cc2ccc(N)cc2)cc1Cl 161439867 BWKHIAXIQBCYCS-UHFFFAOYSA-N 304.777 3.136 10 10 DGCE Cn1cc([C@H]2CCCN2Cc2cc3c(cc2O)CCCC3)cn1 160133002 SXJPUJQPHMQKJS-GOSISDBHSA-N 311.429 3.342 10 10 DGCE CCC1(COC(=O)c2cc(C)n(-c3ccccn3)c2C)COC1 154684345 WYRZZEZFIHXCND-UHFFFAOYSA-N 314.385 3.073 10 10 DGCE Cc1c(C(=O)NC[C@H]2CCCO2)n(C)c2cc(Cl)ccc12 1858178707 SAFSHVUKPAKMPY-GFCCVEGCSA-N 306.793 3.049 10 10 DGCE CCN[C@@H](c1ccccc1O)C1(NC(=O)OC(C)(C)C)CCC1 1936970729 OJXSXCKFDFTHIU-HNNXBMFYSA-N 320.433 3.490 10 10 DGCE CN(c1ccc(CO)cc1Br)C1CC(F)(F)C1 1942049548 AKBRYSSVFKIEEO-UHFFFAOYSA-N 306.150 3.175 10 10 DGCE C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)CN1CCCN=[N+]=[N-] 1962288204 SYEJUEYYDMVQBV-STQMWFEESA-N 311.430 3.312 10 10 DGCE CCN(CCN=[N+]=[N-])C1CCC(NC(=O)OC(C)(C)C)CC1 1962299441 NCDODMQJGZKTAI-UHFFFAOYSA-N 311.430 3.455 10 10 DGCE CC(C)(C)OC(=O)NC1CC2(C1)CN(CCCCN=[N+]=[N-])C2 1962287517 JCGPKUJFXDLZRN-UHFFFAOYSA-N 309.414 3.066 10 10 DGCE C[C@@H]1C[C@H](NCc2ccc3c(c2)CCO3)CN1Cc1ccccc1 237494463 NDHZPSXQJVBARO-UZLBHIALSA-N 322.452 3.374 10 10 DGCE Oc1cccc(Cl)c1CN[C@@H]1CCCC2(CC1)OCCO2 1965995862 IEIGDGUGZGWGNX-GFCCVEGCSA-N 311.809 3.211 10 10 DGCE C[C@@H](N[C@H]1CCCC2(CC1)OCCO2)c1cc(F)ccc1O 1967526356 WYRBRTHVLWDHNR-OCCSQVGLSA-N 309.381 3.258 10 10 DGCE Cc1ccc(CNCCC2CN(C(=O)OC(C)(C)C)C2)c(O)c1 1971314241 SYKHDTSTQJZZDE-UHFFFAOYSA-N 320.433 3.047 10 10 DGCE C[C@H]1CN(c2ccc(N)cc2)C[C@H](C)C1NC(=O)OC(C)(C)C 1977943962 YKGGETHNQGXIJW-STQMWFEESA-N 319.449 3.254 10 10 DGCE CN(C)c1ccc([C@H](O)[C@H](NC(=O)OC(C)(C)C)C2CC2)cc1 1977940266 XDPHDPGNNKINAK-CVEARBPZSA-N 320.433 3.089 10 10 DGCE CCN(c1ccc(N)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1977977374 BCXJVRMVEBGLJT-MRXNPFEDSA-N 319.449 3.495 10 10 DGCE CCN[C@@H](c1ccccc1O)C1(F)CN(C(=O)OC(C)(C)C)C1 1984091298 NVCCSGIGIZQCSE-AWEZNQCLSA-N 324.396 3.002 10 10 DGCE C[C@@H]1N(Cc2ccccc2)CC[C@]1(N)c1ccc2c(c1)CCN2C 1999508645 ZIFRECHIAMKROO-HRAATJIYSA-N 321.468 3.127 10 10 DGCE CN(C[C@@H]1CC[C@H]2C[C@@H]21)c1ccc(CN)c(Br)c1 2040240398 MTRMFOBMLGTNKJ-JKOKRWQUSA-N 309.251 3.390 10 10 DGCE CC(C)O[C@H]1CCN(Cc2cccc(Br)c2O)C1 701727809 GQMNIUREZQDDKB-LBPRGKRZSA-N 314.223 3.154 10 10 DGCE CCc1c(C(=O)Nc2ccc(O)c(O)c2)cnn1C1CCCC1 2062968673 WXSITBDBQKBPMS-UHFFFAOYSA-N 315.373 3.224 10 10 DGCE CCc1nn(Cc2cc(C)ccc2O)c(C(F)F)c1C(=O)O 2078941936 AIMDTJSTMOAUII-UHFFFAOYSA-N 310.300 3.144 10 10 DGCE C[C@@H](O)c1ccc(N2CC(O)(c3cccs3)C2)cc1Cl 2193352288 DHLVSSZLZHTILR-SNVBAGLBSA-N 309.818 3.163 10 10 DGCE CN(C[C@H]1C[C@H]1C(F)F)c1ccc(CN)c(Br)c1 2041754350 FPBNPOZHGRSGEE-MWLCHTKSSA-N 319.193 3.245 10 10 DGCE CO[C@@H](CN(C)c1ccc(CO)c(Br)c1)C(C)C 2068170704 XSFMLOWVPYLECT-AWEZNQCLSA-N 316.239 3.049 10 10 DGCE NCCc1ccnc(N2CCc3cc(Br)ccc32)c1 2098615737 CBFKMVUOOKFMEG-UHFFFAOYSA-N 318.218 3.040 10 10 DGCE CCNCc1ccc(N2CC(OC(F)(F)F)C2)cc1Cl 2237639444 WGUGLYVXRQWOHB-UHFFFAOYSA-N 308.731 3.175 10 10 DGCE CSc1ncc(CNC(=O)c2ccc(Cl)nc2C)s1 2269323682 YXASRHRLBTXROX-UHFFFAOYSA-N 313.835 3.152 10 10 DGCE CSc1ncc(CNC(=O)c2ccc(F)c(S)c2)s1 2269320003 MFCZESOPKZOZJV-UHFFFAOYSA-N 314.432 3.223 10 10 DGCE NCc1ccc(N2C[C@@H]3C[C@@H](C(F)(F)F)[C@@H]3C2)cc1Cl 2281181790 KKTZYDMIUBWBJX-MVWJERBFSA-N 304.743 3.433 10 10 DGCE C[C@@H]1CN(C)c2ccccc2N(C(=O)C=Cc2cccnc2)C1 2297667544 ZLIZWKQDPIMNHL-OAHLLOKOSA-N 307.397 3.214 10 10 DGCE CC[C@@H]1CN(C(=O)C=Cc2cncc(F)c2)c2ccccc2O1 2297669786 QWWFODWDBYKNKP-OAHLLOKOSA-N 312.344 3.438 10 10 DGCE COc1ccc(N(C)C(=O)C=Cc2cncc(C)c2)cc1F 2302395976 MTMKCZKSHLPMPO-UHFFFAOYSA-N 300.333 3.214 10 10 DGCE Nc1cc(Cl)c(N2C(=O)[C@H]3CCC[C@@H](C3)C2=O)c(Cl)c1 2353865418 BYQHIOCAWAPPRT-YUMQZZPRSA-N 313.184 3.255 10 10 DGCE CC[C@@H]1COCCN1c1ccc([C@@H](C)N)cc1Br 61695780 RCTTXNSJOBEKRC-ZYHUDNBSSA-N 313.239 3.084 10 10 DGCE COc1ccc(O)c(CNCc2nc3ccccc3n2C2CC2)c1 184778348 STLXLLXGWUHOEO-UHFFFAOYSA-N 323.396 3.375 10 10 DGCE CC(C)[C@@H](C)OC(=O)/C=C/c1ccc(N2CCOCC2)cc1 127097255 UWUIWKKWSCTSQX-RZIFZGNASA-N 303.402 3.124 10 10 DGCE CCC(CC)CCS(=O)(=O)N1CCC[C@@H](CN=[N+]=[N-])C1 2363201369 XRNYECOLPNWKIG-ZDUSSCGKSA-N 302.444 3.165 10 10 DGCE CCC(CC)CCS(=O)(=O)N1CCC(CN=[N+]=[N-])CC1 2363204235 XIIDXEJBDPZGGM-UHFFFAOYSA-N 302.444 3.165 10 10 DGCE CC[C@H](NCc1ccno1)c1cc(Br)ccc1O 231882562 PBTPMCRCKMDDLF-LBPRGKRZSA-N 311.179 3.384 10 10 DGCE C[C@@H]1CCC[C@@H](C)N1NCc1cc(Br)ccc1O 235358186 GPBUYQWPMCJFEC-GHMZBOCLSA-N 313.239 3.422 10 10 DGCE CCOC(=O)CCN(C)N=Nc1ccccc1Br 2330181849 QSLJIZHNVAGAJZ-UHFFFAOYSA-N 314.183 3.333 10 10 DGCE C[C@H]1C[C@@H](N(C)Cc2cc(Cl)c(F)cc2O)CCN1C 295521330 ZZTBNKOZFVPMKJ-JQWIXIFHSA-N 300.805 3.099 10 10 DGCE COc1ccc(O)c([C@@H](C)Nc2nc([C@@H](C)OC)ns2)c1 800848777 CHOSZWZBBXMQTI-RKDXNWHRSA-N 309.391 3.133 10 10 DGCE COc1ccc2c(c1)CCN2Cc1cn(-c2ccccc2C)nn1 809538363 DULHOKBOUBYGRG-UHFFFAOYSA-N 320.396 3.147 10 10 DGCE CC[C@@H]1C[C@H](NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCO1 817165090 JIZWTKRUQUUMAT-YSVLISHTSA-N 319.449 3.070 10 10 DGCE Cc1cc(O)c(CNCCOc2ncccc2F)cc1Cl 825374907 HBNLDDOSGSTIIW-UHFFFAOYSA-N 310.756 3.057 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCC[C@H](c3ncc[nH]3)C2)cc1 835025808 NPLVQYMPIUPLEF-RCFWFJCLSA-N 310.445 3.369 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H]1CCC(C)(C)O1 839922473 VQPTVHLTNUNXSE-RHSMWYFYSA-N 318.461 3.066 10 10 DGCE C[C@@H]1C[C@@H](N2CCCC2)CN1C/C=C\c1ccc(N(C)C)cc1 835054801 YQIUFRFGRBPGNF-LDBCMITESA-N 313.489 3.324 10 10 DGCE CC1CCN(c2ccc(CNC(=O)NC[C@@H]3C[C@H]3C)cc2)CC1 731049977 YWQKSTUXIMJVKI-WBVHZDCISA-N 315.461 3.378 10 10 DGCE Cc1cc(O)c(CN[C@H]2CCN(CC(F)(F)F)C2)c(Cl)c1 840887279 VJOUXICHBVXXQH-JTQLQIEISA-N 322.758 3.080 10 10 DGCE Cc1cc(CN2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)ccc1N(C)C 846265606 NGAJROZYFLUSHT-JQHSSLGASA-N 316.445 3.279 10 10 DGCE OC1CCN(c2ccc(CNCCC3CC=CC3)cc2)CC1 922734951 MKLFVSQWJPBCPY-UHFFFAOYSA-N 300.446 3.094 10 10 DGCE CC1(/C=C/C(=O)NCc2cc(Cl)ccc2O)CCOCC1 846477483 RILXECJESWZIBV-SNAWJCMRSA-N 309.793 3.035 10 10 DGCE Cc1cc(CN2CC[C@H]3COC[C@H]3C2)ccc1N1CCCCC1 852663951 AIDAJEUNJDKQQZ-RBUKOAKNSA-N 314.473 3.454 10 10 DGCE CCc1[nH]nc(Cl)c1CNCCCSc1nccs1 921754504 MBYXKCBQOXKPEX-UHFFFAOYSA-N 316.883 3.354 10 10 DGCE COC[C@H](N[C@H](C)c1ccc(Cl)cc1O)C1CCOCC1 850493165 GKIHZMSKHAWZAZ-ABAIWWIYSA-N 313.825 3.138 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CC23CCCC3)c1 759304558 IDLUHWVOQSMWRT-NHYWBVRUSA-N 304.390 3.094 10 10 DGCE CN(C)c1ccc(CNC2CCC(C)(N(C)C)CC2)cc1F 865765684 HCJAFDIZUMDHCZ-UHFFFAOYSA-N 307.457 3.244 10 10 DGCE C[C@@H]1C[C@H](N[C@@H]2[C@H]3C[C@@H]4CO[C@H]2[C@H]4C3)c2c(O)ccc(F)c21 866447137 ZDBLWWZOVMRZPC-NDHVZVIRSA-N 303.377 3.093 10 10 DGCE C[C@@H](NC(=O)N[C@H]1C[C@]1(F)c1ccccc1)c1ccccc1O 868725802 PHNSGVLNJHYQML-PUECVXPYSA-N 314.360 3.390 10 10 DGCE C[S@](=O)(=NC(=O)/C=C/c1ccc(O)c(O)c1)C1CCCCC1 1119632012 KLEWCCRWZIDQBB-DQACCSDVSA-N 323.414 3.068 10 10 DGCE CC(C)[C@@H](C(=O)NCc1ccc(O)c(O)c1)c1ccc(F)cc1 778927251 NCHBXQJAUOBIIE-QGZVFWFLSA-N 317.360 3.293 10 10 DGCE COCC1CC(OC(=O)c2cc(C)n(-c3ccccn3)c2C)C1 893634812 XKIDCGJJZHLZLE-UHFFFAOYSA-N 314.385 3.071 10 10 DGCE C[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@H]2CCCC[C@H]21 1136200043 OYTOETMEQXMUFH-SNPRPXQTSA-N 303.402 3.068 10 10 DGCE COC1CCC(CNCc2c(O)ccc(Cl)c2F)CC1 790974433 VOHITNUINYIMPZ-UHFFFAOYSA-N 301.789 3.480 10 10 DGCE Cn1ncc(NCc2c(O)cccc2Br)c1Cl 706883563 ORNHWPSWSYRJOB-UHFFFAOYSA-N 316.586 3.154 10 10 DGCE C[C@H]1CCCCN1CCNCc1c(O)ccc(Cl)c1F 790949750 OMXOUAKFDDLDMB-NSHDSACASA-N 300.805 3.149 10 10 DGCE COc1ccc2c(c1)c(C(=O)NCc1ccccc1O)c(C)n2C 1150536631 PFHPEDWEETUPJI-UHFFFAOYSA-N 324.380 3.131 10 10 DGCE C[C@H]1c2cc(O)c(O)cc2CCN1C(=O)OCc1ccccc1 196900149 DBYWXDPAWCCVHI-LBPRGKRZSA-N 313.353 3.354 10 10 DGCE O=C(NCC[C@@H]1CC[C@H]2C[C@H]12)NCc1cc(Cl)ccc1O 1248736546 IGJHCROWJLHADW-COPLHBTASA-N 308.809 3.281 10 10 DGCE Cc1nc(C)c(CC(=O)Nc2c(Cl)ccc3nonc23)s1 1271357021 QTADMOTUMSUWFQ-UHFFFAOYSA-N 322.777 3.131 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)c2ccc3cccnc3c2)c1 1294936365 GDBSCSCPHLKPBZ-LBPRGKRZSA-N 322.364 3.440 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC[C@@H]1C[C@@H]1C 1290932209 ZNNCOCMPJQFOFO-WFASDCNBSA-N 310.397 3.292 10 10 DGCE CNCc1ccc(N2CC[C@H]2C(F)(F)F)cc1Br 1916187639 WYSRSFGKFVDFDH-NSHDSACASA-N 323.156 3.310 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)c1ncnc2c1CCCC2 1612112243 IWAYNEWEPXTJBU-UHFFFAOYSA-N 310.445 3.448 10 10 DGCE COc1ccc(CN[C@H](C)[C@H](C)NC(=O)C(C)(C)C)cc1C 1485213803 CCRRAVYUPHEBSD-KGLIPLIRSA-N 306.450 3.033 10 10 DGCE C/C(=C/C(=O)NCc1c(O)ccc2ccccc12)c1cnccn1 1635968992 LGIJKBOIVIWKBN-RAXLEYEMSA-N 319.364 3.055 10 10 DGCE CC[C@H](CNC(=O)[C@H](C)C1CC1)NCc1ccc(OC)c(C)c1 1494960236 IGYJCGCOTHZJEC-RHSMWYFYSA-N 318.461 3.034 10 10 DGCE Cc1ccc(C(=O)NCc2ccc3cccnc3c2O)cc1C 1630528738 VNQJQHTZZZSIJY-UHFFFAOYSA-N 306.365 3.487 10 10 DGCE Cc1cccc(-n2c(C)cc(CNC(=O)c3cnc(C)[nH]3)c2C)c1 1648611419 BEBXUSCFVQWDJN-UHFFFAOYSA-N 322.412 3.364 10 10 DGCE CC/C=C/CCN1CCN(c2ccc(OC)cc2OC)CC1 1659857342 NTXWATNZIBYUFU-AATRIKPKSA-N 304.434 3.182 10 10 DGCE CC(C)c1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1C[C@H]1C 1598420786 YEZJIOBYYGNMGD-HIFRSBDPSA-N 314.433 3.400 10 10 DGCE O=C(NCc1cccc(Cl)c1O)NC[C@@H]1CCC[C@@H]2C[C@@H]12 1684056467 XLXGEKQRLFSUEG-NTZNESFSSA-N 308.809 3.281 10 10 DGCE CC[C@H]1CN(c2c(F)cc(/C=C/C(=O)O)cc2F)CCS1 157822679 TTYJZTYAAHXWRW-UFFNRZRYSA-N 313.369 3.394 10 10 DGCE CCOC(=O)CCN(C)/N=N/c1ccc(OCC)c(OCC)c1 1860487516 BIAPRWGAEKTNGM-ISLYRVAYSA-N 323.393 3.368 10 10 DGCE Oc1c(Cl)cccc1CNCC1(O)CCC(F)(F)CC1 827648599 BSDFXYNJGAQPOR-UHFFFAOYSA-N 305.752 3.076 10 10 DGCE COc1ccc(N2CC[C@@H](CN[C@@H]3CCc4cccnc43)C2)cc1 886628082 FIBNZTCHZULXNW-HNAYVOBHSA-N 323.440 3.194 10 10 DGCE CCn1ncc(Br)c1CN(C)c1ccc(OC)cc1 1966143746 JUNBBZPNKMLVGZ-UHFFFAOYSA-N 324.222 3.311 10 10 DGCE COC[C@@H](NCc1cc(Cl)cc(Cl)c1O)C(F)(F)F 1973150653 CCPQPBKLJMCBKZ-SECBINFHSA-N 318.122 3.366 10 10 DGCE CC[C@@H]1CC[C@@](N)(c2ccccc2O)CN1C(=O)OC(C)(C)C 1975985806 OGIKNDICURAGNZ-ACJLOTCBSA-N 320.433 3.356 10 10 DGCE CC[C@H]([C@H](O)c1ccc(N(C)C)cc1)N(C)C(=O)OC(C)(C)C 1977940300 XUBKZPTYMMDKLG-HZPDHXFCSA-N 322.449 3.432 10 10 DGCE CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1ccc(N(C)C)cc1 1977946555 VYUGDHLJXLFLSY-HOTGVXAUSA-N 321.465 3.316 10 10 DGCE CN(C)c1ccc([C@@H](O)c2ncc(Br)s2)cc1 1999507949 WQHDFMZFZZMVAS-LLVKDONJSA-N 313.220 3.053 10 10 DGCE O=S(=O)(Nc1ccc(O)cc1Cl)c1ccc(Cl)o1 2035289781 QVYGWHSIVXSMRM-UHFFFAOYSA-N 308.142 3.093 10 10 DGCE CC(C)NCc1ccc(N2CC(SC(F)F)C2)c(F)c1 2196711494 LSRYPKNOOHTAQG-UHFFFAOYSA-N 304.381 3.468 10 10 DGCE CN[C@@H](c1ccc(N(C)C)cc1)c1ccc(Br)cn1 2100907910 WFNMDHDXDXMUCT-HNNXBMFYSA-N 320.234 3.219 10 10 DGCE Cc1cccnc1CN(C)c1ccc(CN)cc1Br 2105349032 JNHDRTRSKHENAI-UHFFFAOYSA-N 320.234 3.248 10 10 DGCE CC(C)(C)OC(=O)N1CCN(c2ccc(N)cc2)CCC1(C)C 2212542303 ICVUKCFWRPGZCC-UHFFFAOYSA-N 319.449 3.495 10 10 DGCE COc1ccc(C2=CC(=Cc3cccnc3)C(=O)O2)c(OC)c1 2297322303 NEXOABGLJKVTBF-UHFFFAOYSA-N 309.321 3.080 10 10 DGCE O=[N+]([O-])c1cccc(N=NN2CCN(c3ccccc3)CC2)c1 2330230786 DCDDZVIKFURNRQ-UHFFFAOYSA-N 311.345 3.416 10 10 DGCE Cc1cnnc(N(C)Cc2ccc(C)c(Br)c2O)c1 2352643197 MKCSVEBBPOHVBC-UHFFFAOYSA-N 322.206 3.198 10 10 DGCE COc1cccc(CNC(=O)N[C@H](C)c2cccs2)c1O 173424473 MJNXXJVRPPTVKY-SNVBAGLBSA-N 306.387 3.023 10 10 DGCE O=C1N=C(Nc2ccccc2)S/C1=C\c1cnn2ccccc12 171736306 SMYHJEUDVJIOKZ-GDNBJRDFSA-N 320.377 3.417 10 10 DGCE C[C@@H](NCCCn1ccnn1)c1ccc(N2CCCCC2)cc1 184267245 PMSNXMGLTORXLS-MRXNPFEDSA-N 313.449 3.009 10 10 DGCE CN(C)c1ccc2c(c1)[C@H](CN)N(CC1(c3ccccc3)CC1)C2 71683329 WAHMKKJTLQQZLE-FQEVSTJZSA-N 321.468 3.300 10 10 DGCE CSC[C@H](C)NCc1cc(Br)cc(C)c1O 133245179 LNPFAAYGGUWVQR-VIFPVBQESA-N 304.253 3.304 10 10 DGCE Cc1ccc(C=C2SC(=S)NC2=O)c(Br)c1 2303640703 VXIPVZGQISAEOG-UHFFFAOYSA-N 314.229 3.246 10 10 DGCE CC(C)OC[C@H](O)CNc1ccccc1OCc1ccccc1 381073220 QAWBWEBDOLYERR-QGZVFWFLSA-N 315.413 3.463 10 10 DGCE O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1c(O)cccc1Cl 227283368 KNVXRQFMQFVUIU-BPNCWPANSA-N 309.793 3.263 10 10 DGCE COC1(C(F)F)CC(CNCc2cccc(Cl)c2O)C1 2369069496 ORKAMIBEMZEYEE-UHFFFAOYSA-N 305.752 3.196 10 10 DGCE FC(F)(F)Oc1ccc(N2CCCN[C@@H](C3CC3)C2)cc1 86269342 MDDDCFCFGRTNJQ-CQSZACIVSA-N 300.324 3.164 10 10 DGCE COc1ccc(CNC[C@@H](n2cccn2)C(F)(F)F)cc1C 527741908 IWIUXDPINRBEEC-CQSZACIVSA-N 313.323 3.093 10 10 DGCE Cc1csc(C2(NCc3cc([N+](=O)[O-])ccc3O)CCC2)n1 263731684 YLQFJFVNCIEPPK-UHFFFAOYSA-N 319.386 3.234 10 10 DGCE O=C(NCc1ccc(N2CC=CC2)cc1)N1CCCC12CCC2 365786539 GYRCFYUZHXWPAR-UHFFFAOYSA-N 311.429 3.291 10 10 DGCE COc1cc(N2CCC[C@H](C3CC3)C2)c([N+](=O)[O-])cc1OC 808124982 DCYGFHGMIGFNJF-LBPRGKRZSA-N 306.362 3.238 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)/C=C/[C@@H]2CCCO2)cc1 819040302 ZJCWDOOCYJIUEI-HHNLSAEISA-N 316.445 3.226 10 10 DGCE COc1ccc(N2CCC(NC(=O)[C@@H]3CCC3(C)C)CC2)cc1 825425562 CBYLOWBVCRFZPB-KRWDZBQOSA-N 316.445 3.216 10 10 DGCE COCCCCNC(=O)Cc1cc(C)n(-c2ccccc2)c1C 822164478 YMOMVHRORSKFII-UHFFFAOYSA-N 314.429 3.179 10 10 DGCE CCOc1cccc(CN2C[C@H](C)O[C@@](C)(C(F)F)C2)c1O 827962997 XRAKHRXBNBADEU-MEDUHNTESA-N 315.360 3.035 10 10 DGCE CC(=O)C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1Cl 1951480311 OSMZSVCOPCNALP-LBPRGKRZSA-N 311.765 3.064 10 10 DGCE CC(C)(C)c1cnc(CCC(=O)NCc2c(O)cccc2F)o1 928708242 JGXGGTMSFXLXFD-UHFFFAOYSA-N 320.364 3.066 10 10 DGCE CC(C)[C@H](N)CCN[C@H](C)c1cc(Br)ccc1O 854230453 QJNPUFVTOIJRHB-ZWNOBZJWSA-N 315.255 3.179 10 10 DGCE COC[C@@H](N[C@@H](C)c1ccc(Cl)cc1O)C1CCOCC1 850493366 GKIHZMSKHAWZAZ-XHDPSFHLSA-N 313.825 3.138 10 10 DGCE C[C@@H](NCC[C@H](O)C(F)F)c1cccc(C(F)(F)F)c1O 866442259 HYGCRZWVGNZEBW-XCBNKYQSSA-N 313.266 3.078 10 10 DGCE CC(C)(C)c1ccc(CNCc2cc([N+](=O)[O-])ccc2O)o1 865815081 TUXSRKMZDVAGDT-UHFFFAOYSA-N 304.346 3.481 10 10 DGCE C[C@@H]1CNc2cc3c(cc2N1Cc1ccc(F)cc1)OCO3 57925565 PVZBPXCRJCNHDF-LLVKDONJSA-N 300.333 3.375 10 10 DGCE Cc1cc(Br)cc(/C=C2/SC(=S)NC2=O)c1 772175980 IMIKPHQZMBFHQB-WEVVVXLNSA-N 314.229 3.246 10 10 DGCE Cc1ccccc1NC(=S)NNc1ccc2c(=O)[nH]ccc2c1 789320111 OUMTXZGRALNGKR-UHFFFAOYSA-N 324.409 3.150 10 10 DGCE Cc1cncc(NC(=O)c2cc3cc(O)c(O)cc3s2)c1 1137144299 QLEPRZYHAREFGR-UHFFFAOYSA-N 300.339 3.268 10 10 DGCE CCOc1ccc(O)c(CN[C@@H](C)c2c(F)cncc2F)c1 796525656 DGEXCBRDTDAMIK-JTQLQIEISA-N 308.328 3.315 10 10 DGCE CN1C[C@]23CCCC[C@@]2(C1)CN(Cc1ccc(N(C)C)cc1)C3 1308171946 WYTAEAAVSYPOBQ-BGYRXZFFSA-N 313.489 3.060 10 10 DGCE [N-]=[N+]=N[C@H]1CCN(C(=O)CCc2cccc(Br)c2)C1 1912164189 TXYARNYDFVUWTL-LBPRGKRZSA-N 323.194 3.293 10 10 DGCE C[C@H](CN1CCC[C@H](CN=[N+]=[N-])C1)C(=O)OCc1ccccc1 1912176173 VURMBCJEDHRFQG-GDBMZVCRSA-N 316.405 3.388 10 10 DGCE C[C@@H]1C[C@@](O)([C@@H](N)c2ccccc2O)c2ccsc2S1 1920354739 JFOHWQWHOSEDJV-DVJZZOLTSA-N 307.440 3.226 10 10 DGCE CSc1ccc(/C=C/C(=O)NCc2c(O)cccc2O)s1 1639292637 LEHXEPWFOXNIRH-FNORWQNLSA-N 321.423 3.211 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)/C(C)=C/c2ccco2)c1 1566374914 YKHWANBKXLIYCF-ZKQHCESOSA-N 301.342 3.275 10 10 DGCE COc1ccc(CNCC[C@@H](C)NC(=O)[C@@H](C)C2CC2)cc1C 1668015040 DWQCRWWZSZCTPG-CABCVRRESA-N 318.461 3.034 10 10 DGCE CC(C)O[C@H]1C[C@H](NC(=O)N2Cc3cccc(O)c3C2)C1(C)C 1679868367 DFVUNXFJYWXEEE-HOTGVXAUSA-N 318.417 3.010 10 10 DGCE CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@](C)(N)c1ccccc1O 1933869022 IHJJTCSZHHSKGX-RHSMWYFYSA-N 308.422 3.115 10 10 DGCE O=C(NCc1ccc(O)c(O)c1)[C@H]1C[C@H]1c1ccccc1Cl 159010402 QJADOMXGMXZIEA-STQMWFEESA-N 317.772 3.171 10 10 DGCE Cc1cccc(CNCCC2CN(C(=O)OC(C)(C)C)C2)c1O 1938403402 ZNRSULCCQCAKJC-UHFFFAOYSA-N 320.433 3.047 10 10 DGCE CCN(CCN=[N+]=[N-])C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1962297763 AKTXKOCUOPSZRF-ZDUSSCGKSA-N 311.430 3.266 10 10 DGCE CNCc1ccc(N2CCCSCC2)cc1C(F)(F)F 167366719 JTZPIEOHOAXTJZ-UHFFFAOYSA-N 304.381 3.368 10 10 DGCE CCSC1CN(c2ccc(CNC)cc2C(F)(F)F)C1 2153908019 VRJQKTXMYBWYEW-UHFFFAOYSA-N 304.381 3.367 10 10 DGCE CO[C@@H]1CCCN(Cc2ccc(Br)cc2O)[C@@H]1C 2037811583 HWYMMJJOQMYJMX-QMTHXVAHSA-N 314.223 3.154 10 10 DGCE CCN[C@H](C)c1cnc(Sc2n[nH]c(C(C)(C)C)n2)s1 2159807802 QJHNBDPSIQPQCO-MRVPVSSYSA-N 311.480 3.380 10 10 DGCE CSC[C@@H]1CCN(c2ccc(CN)cc2Br)C1 706661271 YPUZBWLDQZTUHQ-LLVKDONJSA-N 315.280 3.097 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CC(F)(F)C[C@H]2C)c1O 2172086400 YODZAXQBQODGBO-MRVPVSSYSA-N 303.736 3.478 10 10 DGCE CC[C@H]1CCOC[C@H]1N(C)c1cc(Cl)c(CN)cc1F 2177379028 WOULOZHSPVCHGG-ZUZCIYMTSA-N 300.805 3.189 10 10 DGCE CNCc1ccc(N(C)Cc2c(Cl)ncn2C)cc1Cl 2168139200 JHWDNZGTPVAPKG-UHFFFAOYSA-N 313.232 3.083 10 10 DGCE Cc1nn(Cc2ccc(Br)cc2O)c(N)c1C1CC1 2079604012 XAIMFSJDIWBEFL-UHFFFAOYSA-N 322.206 3.168 10 10 DGCE C[C@]1(C(F)F)C[C@H]1NCc1cc(Br)cc(F)c1O 2057274601 UNSVMGAGWAMMBL-SKDRFNHKSA-N 324.140 3.427 10 10 DGCE Cc1ccc([C@@H](O)[C@@H](N)c2ccccc2O)cc1Br 2091867594 NFXWADRIAWVZKP-LSDHHAIUSA-N 322.202 3.197 10 10 DGCE Oc1c(Br)cccc1CNCCCc1cccnc1 2094455689 OSRHORDOOWHQPN-UHFFFAOYSA-N 321.218 3.272 10 10 DGCE CCP1(=O)CCC(NCc2ccc(F)c(F)c2O)CC1 2283567796 GNMGZAIXEUKVAZ-UHFFFAOYSA-N 303.289 3.305 10 10 DGCE OCc1ccc(N2C[C@H]3[C@@H](C[C@H]3C(F)(F)F)C2)c(Cl)c1 2281133946 SDLKVHKHGFCRRL-GARJFASQSA-N 305.727 3.467 10 10 DGCE CC1=NN(c2ccc(C(=O)O)cc2)C(=O)C1=Cc1ccc(F)cc1 2297533586 SMWDLGHUNLSHGG-UHFFFAOYSA-N 324.311 3.330 10 10 DGCE CC(C)N1C(=O)C(=Cc2ccccc2[N+](=O)[O-])SC1=S 2323701925 KDFLUWXIHKUDQY-UHFFFAOYSA-N 308.384 3.204 10 10 DGCE CC[C@H]1C[C@H]1C(=O)NCc1ccc(C)c(Br)c1O 2327590815 BXYVDHPLZFCUQM-GXSJLCMTSA-N 312.207 3.125 10 10 DGCE CN(c1ccc(CO)c(Br)c1)[C@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21 2330301419 UBDJIFPXGAQNHN-UYLCMAPUSA-N 322.246 3.422 10 10 DGCE Cc1ccc(CN[C@H](C)c2cnn(C)c2)c(O)c1Br 2352676973 VRWHMKZPSNLYCO-SNVBAGLBSA-N 324.222 3.047 10 10 DGCE CCn1cc(N2C(=O)/C(=C/c3ccccc3)SC2=S)cn1 101960155 CNJXITXZNPSEOJ-JYRVWZFOSA-N 315.423 3.309 10 10 DGCE COC(=O)C1=C(C)N(C)C(=O)/C1=C/c1ccc(C(C)(C)C)cc1 58883532 YGURELKHMNJSKC-RVDMUPIBSA-N 313.397 3.287 10 10 DGCE CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1c(C)n[nH]c1C 59858418 USYCJIVLXIBSNX-DHDCSXOGSA-N 309.373 3.053 10 10 DGCE Cc1ccc(O)c(CNC[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1 115629811 SUKPQEWQUTXGRE-OAHLLOKOSA-N 322.449 3.340 10 10 DGCE Cc1cccc(-n2c(C)cc(C(=O)N[C@H]3C[C@H]4CC[C@H]3O4)c2C)c1 191454324 PKCGMKJOWLEWFQ-NZSAHSFTSA-N 324.424 3.452 10 10 DGCE Oc1c(Cl)cccc1CNCc1cnc(C(F)(F)F)o1 2368037844 XSYWYBLLEWUBOL-UHFFFAOYSA-N 306.671 3.342 10 10 DGCE C[C@H]([C@@H](O)c1ccccc1)N(C)[C@@H](C#N)c1ccc(N(C)C)cc1 26789210 RRPOCDAPMNTDOP-UIAACRFSSA-N 323.440 3.371 10 10 DGCE biogenic Cc1cc(O)nc2c(N=Nc3ccc(Cl)cc3)c(N)nn12 253531808 VYMIKQJFVABPJD-UHFFFAOYSA-N 302.725 3.394 10 10 DGCE O=[N+]([O-])c1ccc(N2CC=C(c3ccc(Cl)nc3)CC2)nc1 378396226 AJENIRBSSNOKDU-UHFFFAOYSA-N 316.748 3.332 10 10 DGCE Oc1ccc(-c2ccccc2)cc1CN1CCN2CCC1CC2 809743314 WOWYIJKIUDUJPK-UHFFFAOYSA-N 308.425 3.339 10 10 DGCE COC(=O)C1(CN(C)Cc2ccc(N3CCCCC3)cc2)CC1 827336139 ANRBNVMKCAPDCL-UHFFFAOYSA-N 316.445 3.062 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@@H](Cc2ccccc2)C1 588407071 UIXYAKOEGXBMDE-KMDWOBIYSA-N 323.392 3.202 10 10 DGCE CC(C)[C@]1(C(=O)O)CCN(C/C=C/c2ccc(N(C)C)cc2)C1 901470101 ZKMPLCYFPYADAZ-UEKDZROGSA-N 316.445 3.199 10 10 DGCE C[C@H](CC(F)(F)F)C(=O)N(C)Cc1ccc(N(C)C)cc1 837320015 BPYOTLOTAJKEPB-LLVKDONJSA-N 302.340 3.300 10 10 DGCE CCOCCN(C)C(=O)Cc1cc(C)n(-c2ccccc2)c1C 831639037 UPWUIESGWJIKDT-UHFFFAOYSA-N 314.429 3.132 10 10 DGCE CC[C@H](NC(=O)NCc1cc(Cl)ccc1O)C(F)(F)F 844644579 ODYAFPWMLWDHSW-JTQLQIEISA-N 310.703 3.186 10 10 DGCE C/C(=C\c1ccncc1)C(=O)NCc1ccc(N2CCCC2)cc1 847338742 LHIBOYYNVGKNEV-JQIJEIRASA-N 321.424 3.402 10 10 DGCE CC[C@H](NC[C@@](C)(CO)OC)c1ccc(Cl)c(Cl)c1O 848557604 GGGAYDPACDCLJT-FZMZJTMJSA-N 322.232 3.137 10 10 DGCE CC(C)[C@@H](C)CNC(=O)NCc1c(O)ccc2c1CCCC2 745834819 OYNZNKIOPPPGAK-ZDUSSCGKSA-N 304.434 3.362 10 10 DGCE C[C@H](N[C@@H]1CCC[C@@H](CO)C1)c1cc2c(cc1O)CCCC2 840895421 LRNBEAAHXAZSIL-JJRVBVJISA-N 303.446 3.473 10 10 DGCE C[C@H](N[C@@H](c1ccccc1F)[C@@H](C)O)c1cc(F)ccc1O 846185116 ZTMNXRNBGYJHMJ-WVQJBOLRSA-N 307.340 3.443 10 10 DGCE CN1CCCc2cc(NC(=O)N3Cc4cccc(O)c4C3)ccc21 929964297 NRKFGOFBFHHKTB-UHFFFAOYSA-N 323.396 3.322 10 10 DGCE CN(C)c1ccc(CNc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 757701566 IMULHAYNIWVTKH-UHFFFAOYSA-N 311.345 3.149 10 10 DGCE CC[C@H](C[C@](C)(O)CC)N[C@@H]1CCN(c2ccc(OC)cc2)C1 926680254 LGGXNFSDSSFFTQ-GPMSIDNRSA-N 320.477 3.193 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccccc2N)[C@@H]1C1CC1 1897083407 IPJBWCJFTMSSBQ-CVEARBPZSA-N 317.433 3.469 10 10 DGCE CCCC[C@H](C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855227621 ZLZKPOODRIPEDH-GJZGRUSLSA-N 304.434 3.216 10 10 DGCE Cc1ccc(Br)c(-n2c(C)cc(C(=O)O)c2C)n1 697162816 FOLMXOGUJLPPLZ-UHFFFAOYSA-N 309.163 3.258 10 10 DGCE O=C(NCc1c(O)cccc1F)[C@H]1C[C@]12CCc1ccccc12 928706748 ZBZVPHFTSVSHQF-BEFAXECRSA-N 311.356 3.052 10 10 DGCE COc1ccc(N2CCC(NC3CC(CF)(CF)C3)CC2)cc1 850429073 AGBNJVGVHXJPCU-UHFFFAOYSA-N 324.415 3.341 10 10 DGCE COCC(C)(C)CCCNC(=O)N[C@@H](C)c1ccccc1O 868611886 NDPVPSLYCWEMEF-ZDUSSCGKSA-N 308.422 3.205 10 10 DGCE C[C@H](NC(=O)OCCC(F)(F)F)c1ccc(N(C)C)cc1 867125890 ORULUQSKBZGJIF-JTQLQIEISA-N 304.312 3.492 10 10 DGCE COc1ccc(N2CCCN(C[C@]3(C)CCCS3)CC2)cc1 862231794 MPZDCGLVVBHEEZ-SFHVURJKSA-N 320.502 3.493 10 10 DGCE CC(C)(c1nc(Cc2ccc(N)cc2)no1)[C@H]1CCCCO1 872170524 JEEHRYYPSWHGKG-CQSZACIVSA-N 301.390 3.089 10 10 DGCE C[C@H](NCc1nc(-c2ccccc2)n[nH]1)c1ccc(N(C)C)cc1 777574056 FSLGHETYPKCDKK-AWEZNQCLSA-N 321.428 3.389 10 10 DGCE Oc1c(F)cc(Cl)cc1CN1CCc2nc[nH]c2C12CCC2 895068631 JIWSPWHXQXUCEQ-UHFFFAOYSA-N 321.783 3.345 10 10 DGCE C[C@@H](NCC1(CO)CC2(CCC2)C1)c1ccc(N(C)C)cc1 788610350 LLNDDARHSCGMHD-OAHLLOKOSA-N 302.462 3.346 10 10 DGCE CC(=O)c1c(F)cncc1NCCCSc1nccs1 892515616 UQRHCORVGQRZSX-UHFFFAOYSA-N 311.407 3.474 10 10 DGCE Oc1c(F)cccc1CNC[C@@H]1CCCN1Cc1ccccc1 390601170 XIEUTQNEBUWTQF-KRWDZBQOSA-N 314.404 3.286 10 10 DGCE Oc1c(F)cc(Br)cc1CN1CCC[C@@H](F)C1 715805132 VESOLTDQOQDQLP-SNVBAGLBSA-N 306.150 3.228 10 10 DGCE Cc1cc(CN[C@H]2C[C@H](O)C2(C)C)ccc1N1CCCCC1 1170398514 DETYWJAITZHUHS-ROUUACIJSA-N 302.462 3.234 10 10 DGCE CC(C)[C@]1(CO)CCN(C/C=C\c2ccc(N(C)C)cc2)C1 1326636956 LCCUILCKNQPZJW-SFFCAUCYSA-N 302.462 3.106 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC/C=C\C1CC1 1251511541 LQLVRKUPCVKJCY-PLNGDYQASA-N 313.445 3.394 10 10 DGCE COc1ccc(CNCCC[C@H](C)NC(=O)C(C)(C)F)cc1C 1330723658 AMDRHLTUHHYRGQ-AWEZNQCLSA-N 324.440 3.126 10 10 DGCE Cc1noc2ncc(CN[C@@H](C)c3ccc(N(C)C)cc3)cc12 1262188424 QHURPQMMIVIMDR-LBPRGKRZSA-N 310.401 3.448 10 10 DGCE CN(CC1=CCSC1)c1ccc(CO)cc1C(F)(F)F 1916787868 LYPBIHYPADFTJP-UHFFFAOYSA-N 303.349 3.307 10 10 DGCE CCS[C@@H]1CCC[C@@H]1NCc1cc(F)cc(C(C)=O)c1O 1460080762 FZNUMBXOAQJKHJ-LSDHHAIUSA-N 311.422 3.498 10 10 DGCE C[C@H](NCc1cc(Br)cc(F)c1O)C1(F)CC1 1922342861 QAWRTWBMVXIZLV-ZETCQYMHSA-N 306.150 3.274 10 10 DGCE C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)Cc2ccc(O)c(O)c2)C1 1556530033 YRXWMZHGBDIYTE-CJNGLKHVSA-N 311.381 3.250 10 10 DGCE Cc1cccc(-n2c(C)cc(CNC(=O)c3ccon3)c2C)c1 1631794915 ZVPTZPUVTLQFIC-UHFFFAOYSA-N 309.369 3.321 10 10 DGCE Cc1ccc(O)c(CNC(=O)NCc2cccc3ncccc23)c1 1565307199 JWWKFKWXRWHEPN-UHFFFAOYSA-N 321.380 3.248 10 10 DGCE COCc1csc(C(=O)NCc2cc(Cl)ccc2O)c1 1640923889 CCRLCDNGCQUHAY-UHFFFAOYSA-N 311.790 3.184 10 10 DGCE CCOc1ccc(N(CC2CC2)C[C@@H]2CN(CC)C(=O)O2)cc1 1655333242 JQXUPTVXLVOCEX-KRWDZBQOSA-N 318.417 3.142 10 10 DGCE O=C(NCc1c(O)cccc1O)[C@@H]1CC[C@H]1c1ccc(F)cc1 1652629087 WDYJZYSEAOZXBM-UONOGXRCSA-N 315.344 3.047 10 10 DGCE CCN[C@@H](c1ccccc1O)[C@@H](C)CNC(=O)OC(C)(C)C 1928468767 AAYVYPXZRYSMAI-SWLSCSKDSA-N 308.422 3.204 10 10 DGCE O=C(Nc1cccc(-c2nccs2)c1)c1cccc(O)c1O 1596794330 RBRAOTWPNTYGKU-UHFFFAOYSA-N 312.350 3.474 10 10 DGCE CN(Cc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCNCC1 231457828 CUKIRBOVPQWYSQ-GFCCVEGCSA-N 303.233 3.273 10 10 DGCE CCc1ccc(NC(=O)CCNCc2cc(C)ccc2O)cc1 1857853228 OHQRSFZDXMJEGV-UHFFFAOYSA-N 312.413 3.381 10 10 DGCE Nc1cccc(Br)c1N[C@H]1CCCC[C@@]12CCNC2 1876307457 RMYUSLWCCJRBBD-ZFWWWQNUSA-N 324.266 3.366 10 10 DGCE C[C@@H](CO)N(Cc1ccccc1)c1ccc2c(c1)CCC[C@H]2O 1986601657 WOMPHINJYUGVGC-MGPUTAFESA-N 311.425 3.444 10 10 DGCE CN(c1ccc(CO)c(Br)c1)[C@@H]1CCC[C@H]1F 2006782068 STBDSVMFLNQQDJ-CHWSQXEVSA-N 302.187 3.268 10 10 DGCE Oc1c(CN[C@@H]2CCC=C2Br)ccc(F)c1F 2020058850 IVJMZKIWOMXTLG-SNVBAGLBSA-N 304.134 3.201 10 10 DGCE C[C@H]1CN(Cc2c(O)cccc2Br)[C@@H](C)CCO1 2031608014 QUOPFOOPBGFFFU-QWRGUYRKSA-N 314.223 3.154 10 10 DGCE CCNCc1ccc(N2C[C@@H]3C[C@]3(C)C2)c(Br)c1 2035041626 VDEDBUHMFSHMJU-SWLSCSKDSA-N 309.251 3.405 10 10 DGCE CSC[C@@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)C1 706669614 UMTNJUAJAIMUJM-LLVKDONJSA-N 313.850 3.433 10 10 DGCE Oc1cccc(Br)c1CN1CCC[C@@H](CF)C1 711494684 BXNVDYBJLCZLMU-JTQLQIEISA-N 302.187 3.336 10 10 DGCE CO[C@H]1CCCC[C@@H]1NCc1c(O)cccc1Br 858162134 PPKTVISFDORHSL-JSGCOSHPSA-N 314.223 3.202 10 10 DGCE CC(C)[C@@H]1C[C@@H](N(C)c2cc(Cl)c(CN)cc2F)CO1 2177382472 AOOCBNQCLFVTOU-ABAIWWIYSA-N 300.805 3.188 10 10 DGCE CC[C@H](c1cc(C)c(C)cc1O)n1nc(C2CC2)c(C=O)c1N 2079980204 APJHLXKICGUMOS-OAHLLOKOSA-N 313.401 3.477 10 10 DGCE CN(Cc1cc(Cl)ccc1O)CC(F)(F)[C@H]1CCOC1 2185335749 ZDONHPFWIYOHDB-NSHDSACASA-N 305.752 3.149 10 10 DGCE Cc1cc(Br)cc(CN(C)c2cccnc2)c1O 2051205040 BSMJEFSFFNJRHA-UHFFFAOYSA-N 307.191 3.495 10 10 DGCE CO[C@@H]1CC[C@H]1CCNCc1ccc(Br)cc1O 2066826307 KIONFJBGZNXTEU-IINYFYTJSA-N 314.223 3.059 10 10 DGCE CCCNCc1ccc(N2CC(SC(F)F)C2)c(F)c1 2196712386 ZYNRTKXYRLYUMG-UHFFFAOYSA-N 304.381 3.470 10 10 DGCE CN(C)c1ccc([C@H](O)c2cc(Br)ccc2N)cc1 2106790171 FUTBTDHYRCRLES-HNNXBMFYSA-N 321.218 3.179 10 10 DGCE CC(C)(C)OC(=O)N1[C@@H]([C@@H](N)c2ccccc2O)CCC12CC2 2210286937 UQUGHVDHEYPWHN-HIFRSBDPSA-N 318.417 3.324 10 10 DGCE Cc1oc(Br)cc1C(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-] 2218735732 REUXNIMCNLSITF-DTWKUNHWSA-N 313.155 3.312 10 10 DGCE CSc1ncc(CNc2ncc(Cl)cc2C(=O)O)s1 2269121297 MJTGZBMDIOZOTJ-UHFFFAOYSA-N 315.807 3.224 10 10 DGCE CCCN(CC(C)(C)O)c1cc(Cl)c(OC)cc1OC 2285920108 PKEQGKFCHOCWDF-UHFFFAOYSA-N 301.814 3.345 10 10 DGCE COC(=O)Cc1nc2ccccn2c1N=Nc1cccc(OC)c1 2320767954 RVRPSYYAIPMMEB-UHFFFAOYSA-N 324.340 3.474 10 10 DGCE COc1ccc(Br)c(CNC2[C@@H](C)C[C@@H]2C)c1O 2317049913 DUACDZAPYILMJL-IUCAKERBSA-N 314.223 3.297 10 10 DGCE CCCC1=NN(C)C(=O)C1=Cc1cc(Cl)c(O)c(OC)c1 2332139900 FXJMWLCBVLRNRP-UHFFFAOYSA-N 308.765 3.066 10 10 DGCE Cc1ccc(CN[C@H](C)c2ncc[nH]2)c(O)c1Br 2327621759 QWKRTSQJIYSYKQ-SECBINFHSA-N 310.195 3.037 10 10 DGCE Cc1ccc(CN[C@@H](C)COC(F)F)c(O)c1Br 2327621347 MGWMHSMBDVWHDQ-QMMMGPOBSA-N 324.165 3.180 10 10 DGCE CC(C)n1ncc(Br)c1CNCc1ccccc1O 2342401300 HHOOMKVWXJRCLM-UHFFFAOYSA-N 324.222 3.222 10 10 DGCE Cc1cn(C)nc1N(C)Cc1ccc(C)c(Br)c1O 2352644376 ZLPUCVILFARIPC-UHFFFAOYSA-N 324.222 3.141 10 10 DGCE CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N\c1ccc([N+](=O)[O-])cc1 100210647 BYBIBYBLMSEYRI-BQASMSSTSA-N 323.312 3.470 10 10 DGCE C[C@@H](N[C@H](CC(=O)O)c1cccs1)c1ccc(F)cc1O 62747417 YWFKOKZJJMWMEO-BXKDBHETSA-N 309.362 3.459 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)CCc1cncc(F)c1 181592834 GYAPMECOHDHQII-UHFFFAOYSA-N 316.376 3.298 10 10 DGCE CN(Cc1ccccc1O)C(=O)/C=C/c1ccnc(Cl)c1 125214743 QEISNCHYDVVQFA-VOTSOKGWSA-N 302.761 3.112 10 10 DGCE C[C@H](N[C@H](C)c1ccc(F)c(F)c1O)c1nnc2n1CCCC2 187738920 PNVROBRFAKPNIE-ZJUUUORDSA-N 322.359 3.010 10 10 DGCE CCN(CC)c1ccc(CN(C)Cc2cnccn2)cc1F 92591130 ZWDJHPKLJLWPOO-UHFFFAOYSA-N 302.397 3.094 10 10 DGCE CCCN[C@]1(C(=O)O)CCC[C@@H](Sc2nccs2)C1 93778658 NJVZYTHSBCPHNO-ZWNOBZJWSA-N 300.449 3.001 10 10 DGCE COc1ccc(O)c(CN[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]32)c1 529639195 DJCFFNKEXGOUAT-RYQLBKOJSA-N 315.800 3.482 10 10 DGCE CCNCc1ccc(N2CCCN3CCC[C@H]3C2)c(Cl)c1 250209981 URMUEEOWBPKMBA-HNNXBMFYSA-N 307.869 3.124 10 10 DGCE CCN(CC)c1ccc([C@@H](N)CNC(=O)OC(C)(C)C)cc1 380939297 LQFJJDBOFTZSBL-HNNXBMFYSA-N 307.438 3.057 10 10 DGCE CCOC(=O)CC1(NCc2ccc(N(C)C)c(C)c2)CCCC1 815102497 JVVXVCKRLXDLRB-UHFFFAOYSA-N 318.461 3.417 10 10 DGCE COC[C@H](COc1ccc2c(c1)c1c(n2C)CCCC1)OC 664104026 CMIUKYKDABLUNV-CQSZACIVSA-N 303.402 3.097 10 10 DGCE CN(C)c1ccc(/C=C\CNCCc2ccccc2C(=O)O)cc1 903994611 VFMATHQKIAIYHD-WAYWQWQTSA-N 324.424 3.296 10 10 DGCE c1cc(N2CCOCC2)ccc1CNC1(C2CCC2)CCC1 839187320 VAGJJKQCJMAICK-UHFFFAOYSA-N 300.446 3.336 10 10 DGCE C[C@H](O)[C@H](N[C@@H]1CCc2cccc(O)c21)c1ccccc1F 846181560 CFEARDPGCRTEHO-POHZPAGDSA-N 301.361 3.230 10 10 DGCE Cc1nn(C(C)(C)C)c(C)c1C(=O)NCc1c(O)cccc1F 928712800 ZGEMXWQFEULYAP-UHFFFAOYSA-N 319.380 3.030 10 10 DGCE Cc1cc(C)c(O)c(CN2CCN(C(=O)CC(C)(C)C)CC2)c1 754727434 ZSHBQHIMPXBASH-UHFFFAOYSA-N 318.461 3.089 10 10 DGCE Cc1cc(O)c(CNC[C@@H]2CC(=O)N(C(C)(C)C)C2)c(Cl)c1 850396694 NKJIRBBZMFXBDT-LBPRGKRZSA-N 324.852 3.091 10 10 DGCE CCc1noc([C@@H]2CC[C@H](N[C@@H]3CCc4cccc(O)c43)C2)n1 927055626 GLRLNZBOUDHOII-HZSPNIEDSA-N 313.401 3.251 10 10 DGCE Cc1ccc([C@@H](C)NCc2cnc(C(F)(F)F)nc2)c(O)c1 850486313 RXCOCJBYQVMRQA-SNVBAGLBSA-N 311.307 3.360 10 10 DGCE N[C@@H]1CN(c2ccc(OCc3ccccc3)cc2)CC(F)(F)C1 1899851634 JFBRFEHNPMCOQL-HNNXBMFYSA-N 318.367 3.438 10 10 DGCE O=C(CCCC(F)(F)F)NCc1ccc2cccnc2c1O 862027434 RXUOLKLCORUJKS-UHFFFAOYSA-N 312.291 3.289 10 10 DGCE C[C@H](NC(=O)NC[C@@H]1[C@H]2Cc3ccccc3[C@@H]21)c1ccccc1O 868423339 ZHIMRDAQXKACAE-CLOTWAHHSA-N 322.408 3.338 10 10 DGCE CN(C)c1ccc(CNC(=O)CSC[C@H]2C[C@@H]3C[C@@H]3C2)cc1 863355229 NOTCYXAIVSFIMY-MUJYYYPQSA-N 318.486 3.148 10 10 DGCE C[C@H](NCC[C@H](C)[S@](C)=O)c1ccc(N2CCCCC2)cc1 773063371 IIENSVAOXGTEDV-WCJKSRRJSA-N 322.518 3.485 10 10 DGCE CC(C)(C)c1cc(O)c(O)c(CN2CC[C@@]3(CCCOC3)C2)c1 789545423 LJOIOJRWFVHBSU-IBGZPJMESA-N 319.445 3.398 10 10 DGCE CC1(N2CCC2)CCN(Cc2c(O)ccc(Cl)c2F)CC1 895672083 WBKZVKXBNVUPRB-UHFFFAOYSA-N 312.816 3.245 10 10 DGCE C[C@H](NC(=O)COc1ccsc1)c1ccc(N(C)C)cc1 799989383 NNHGDYRKOAJNQW-LBPRGKRZSA-N 304.415 3.070 10 10 DGCE CN(C[C@H]1CCSC1)c1ccc(CO)cc1Br 718384318 XASJULLGFSAJJR-LLVKDONJSA-N 316.264 3.131 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2ccnc(-c3ccccc3)n2)c1 1147961655 GVCWOFLDNDRCMC-UHFFFAOYSA-N 319.364 3.088 10 10 DGCE CC(C)[C@@H](CN(C)C)Nc1c(N)cccc1Br 697452530 PUXYITRBKBMSOG-GFCCVEGCSA-N 300.244 3.029 10 10 DGCE C[C@]1(C(F)F)CN(Cc2cc(Cl)cc(F)c2O)CCO1 1330915674 FKXRBUSSZKMCSV-CYBMUJFWSA-N 309.715 3.041 10 10 DGCE [N-]=[N+]=N[C@H]1CCN(C(=O)c2cccc(F)c2Br)C1 1912144046 NUCAIUTTZSUBRG-ZETCQYMHSA-N 313.130 3.113 10 10 DGCE Cc1cc(Cl)cc2c1N(C(=O)/C=C/c1cn(C)cn1)CCC2 1360885466 IRBWPBOXXZODEU-AATRIKPKSA-N 315.804 3.375 10 10 DGCE CC(C)(c1ccccc1)C1(NC(=O)c2cccc(O)c2O)CC1 1468011396 NFIOPEULAQFLRI-UHFFFAOYSA-N 311.381 3.338 10 10 DGCE C[C@H](CCNCc1ccccc1O)N(C)C(=O)OC(C)(C)C 112102394 LVAVRPFQWSXAMH-CYBMUJFWSA-N 308.422 3.127 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)NCc2cccc3cc[nH]c23)cc1 1556211441 KWZVHTMZMDFNLN-UHFFFAOYSA-N 321.340 3.260 10 10 DGCE O=C(/C=C\C1CCOCC1)NCc1c(O)ccc2ccccc12 1639384476 LQSYKVKYSYCDIY-YVMONPNESA-N 311.381 3.144 10 10 DGCE CCN(Cc1ccccn1)c1ccc(CN)c(Br)c1 228154479 CZSSELXEOKTLGG-UHFFFAOYSA-N 320.234 3.329 10 10 DGCE O=C(NCc1c(O)cccc1F)c1cc(Cl)c(Cl)[nH]1 1638864051 RYVNAMQONZTDKU-UHFFFAOYSA-N 303.120 3.096 10 10 DGCE CC[C@H]1CCCC[C@@H]1CNC(=O)NCc1ccc(OC)cc1O 1564846715 BHHXFNTXHQRCNL-UONOGXRCSA-N 320.433 3.416 10 10 DGCE CC[C@@]1(F)CCN(Cc2c(O)cccc2Br)C1 1925582508 GUQPXBUDZZHDJG-CYBMUJFWSA-N 302.187 3.479 10 10 DGCE COC1(C)CN(C(=O)c2cc(C)n(-c3ccccc3C)c2C)C1 1567180654 UNGSDEWMAXHMBU-UHFFFAOYSA-N 312.413 3.263 10 10 DGCE COc1ccc(CN[C@@H](C)[C@H](C)NC(=O)CC(C)(C)C)cc1C 1733961585 CWZKOHZVFRBKRM-GJZGRUSLSA-N 320.477 3.423 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2cc(C)n(-c3ccccc3)n2)c1 1645800975 XNWMFHXQGRTKPB-UHFFFAOYSA-N 321.380 3.125 10 10 DGCE CC(C)[C@H]1C[C@@H](N2CCCC2)CN1Cc1ccc(N(C)C)cc1 1648591427 LDGVNOFIRZHVHX-WOJBJXKFSA-N 315.505 3.447 10 10 DGCE CC(C)c1nnc(N(C)Cc2ccccc2O)n1C[C@H]1C[C@H]1C 1598420787 YEZJIOBYYGNMGD-UKRRQHHQSA-N 314.433 3.400 10 10 DGCE C[C@@H]1C[C@@H](Nc2ccc(N)cc2)CCN1C(=O)OC(C)(C)C 1959373650 LKLJISOEGOZOLN-DOMZBBRYSA-N 305.422 3.469 10 10 DGCE CN(C)c1ccc(CNC(=O)/C=C/c2nc3ccccc3o2)cc1 15135161 AQQYOJVBIKZVEC-VAWYXSNFSA-N 321.380 3.223 10 10 DGCE CCOC(=O)CCN(CC)/N=N/c1cc([N+](=O)[O-])ccc1C 1860483893 OAXSMDVUQORTQQ-FOCLMDBBSA-N 308.338 3.177 10 10 DGCE CCOc1ccc(NN=NCCc2cnc[nH]2)cc1OCC 1860495712 NIKIBXPYQJGPRT-UHFFFAOYSA-N 303.366 3.229 10 10 DGCE Cc1ccc(-n2c(C)cc(C(=O)NCCCN(C)C)c2C)cc1 1874026969 QTXHLWJUBLMHNV-UHFFFAOYSA-N 313.445 3.084 10 10 DGCE c1c(OCCN2CCCCC2)cc2c3c1CCCN3CCC2 33898237 KXXRXLPVMGZSKG-UHFFFAOYSA-N 300.446 3.250 10 10 DGCE C[C@H](N)c1ccc(N(C)C2CSC2)cc1Br 1936308811 RHRWLALJAUYKQF-QMMMGPOBSA-N 301.253 3.020 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]([C@@H](N)c2ccccc2O)C(C)(C)C1 1936969218 BLBQLPHBTVHQOB-ZFWWWQNUSA-N 320.433 3.285 10 10 DGCE CN[C@H](c1ccccc1O)[C@]1(C)CCCN1C(=O)OC(C)(C)C 1936975737 OGDSKWCODBONFH-QAPCUYQASA-N 320.433 3.442 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@]21[C@@H](N)c1ccccc1O 1936973814 LPTKXKSCLLPNET-MRAWALMUSA-N 318.417 3.182 10 10 DGCE C[C@H]1C[C@H](NCc2ccc(F)cc2O)CN1Cc1ccccc1 1964581784 UGFQZSWWOLNYRW-KSSFIOAISA-N 314.404 3.284 10 10 DGCE Cc1ccc(O)c(CN[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1 151324789 BHNNHJQUKIIAGJ-APWZRJJASA-N 310.441 3.453 10 10 DGCE CCC[C@H](NC(=O)OC(C)(C)C)[C@H](O)c1ccc(N(C)C)cc1 1977937908 FNWQIKLCNKCIOH-JKSUJKDBSA-N 322.449 3.479 10 10 DGCE CCN1CCc2cc([C@H](O)[C@@H](C)NC(=O)OC(C)(C)C)ccc21 1977958969 PAIBNFGJGXARDE-MLGOLLRUSA-N 320.433 3.016 10 10 DGCE C[C@H]1C[C@H](NCc2ccc(N)cc2)CN(Cc2ccccc2)C1 1986355129 FMJQITVAAPNACY-JXFKEZNVSA-N 309.457 3.269 10 10 DGCE C[C@H](c1cc(Cl)ccc1O)N1CCOC[C@@H]1C(F)(F)F 2150470566 RXQVNNJOWNIQIV-PRHODGIISA-N 309.715 3.370 10 10 DGCE C[C@@H]1CC[C@H](N(C)Cc2cc(Br)ccc2O)CO1 401535949 RRAZLOSAJTUAHV-MFKMUULPSA-N 314.223 3.154 10 10 DGCE COc1cc(Cl)cc(CN[C@@H]2C[C@@H]3CSC[C@@H]3C2)c1O 2161040406 GFNQGKGETHSZSA-PTEHBNRSSA-N 313.850 3.285 10 10 DGCE CCNCc1ccc(N2CCSCC(F)(F)C2)c(C)c1 2193332822 GSXDSSIHPCBBPY-UHFFFAOYSA-N 300.418 3.293 10 10 DGCE C[C@@H](O)c1ccc(N2CC[C@@H](c3nncs3)C2)cc1Cl 2196553352 CAZVCYPKUJZFGI-NXEZZACHSA-N 309.822 3.239 10 10 DGCE N[C@H]1CCc2cc(N3CCS[C@@H](C(F)(F)F)C3)ccc21 2184737228 DQJROCUVPLNETA-QWHCGFSZSA-N 302.365 3.117 10 10 DGCE CC[C@@H](COC)N(C)c1ccc([C@@H](C)O)cc1Br 2047312910 SZSORXNATRJEIN-PWSUYJOCSA-N 316.239 3.364 10 10 DGCE C[C@@H](F)[C@H]1CCCN1c1cc(Br)c(CN)cc1F 2060888138 MCQUOLYNUPQPKK-PRHODGIISA-N 319.193 3.374 10 10 DGCE C[C@@H]1CC[C@H](CNCc2cc(Cl)cc(Cl)c2O)N1C 2095277092 LHNRNSCOXGYBOX-BXKDBHETSA-N 303.233 3.271 10 10 DGCE CSc1ncc(CNC[C@@H]2CCCc3cccnc32)s1 2208556056 CKZONFYQUCKJFZ-LBPRGKRZSA-N 305.472 3.470 10 10 DGCE Oc1ccc(Cl)cc1CNC[C@@H]1OCC[C@@H]1C(F)(F)F 2240534218 JOXICQXZDJBGFC-JQWIXIFHSA-N 309.715 3.103 10 10 DGCE Oc1c(Br)cccc1CN[C@H]1CCC[C@H]1CF 2251068366 KAQQQQJGBOEJEW-CABZTGNLSA-N 302.187 3.383 10 10 DGCE COC(=O)c1sccc1CNCc1cnc(SC)s1 2269121033 JTVWEMRUUBBVJE-UHFFFAOYSA-N 314.457 3.003 10 10 DGCE O=C1NC(=S)SC1=Cc1cc(Cl)c(O)c(Cl)c1 2296925457 GSJQEDCPPJYLPN-UHFFFAOYSA-N 306.195 3.188 10 10 DGCE O=C1C(=C[C@@H]2CC=CCC2)SC(=S)N1C[C@@H]1CCCO1 2296701106 RMUGCXRQFPCRGN-NEPJUHHUSA-N 309.456 3.266 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)N1CCCc2ccccc2C1 2308001323 YBGACJDBCBZJKB-UHFFFAOYSA-N 309.365 3.086 10 10 DGCE C[C@H]1CCN(C(=O)C=Cc2cncc(F)c2)c2c(O)cccc21 2309377844 CEMQBGOWOXHRQK-LBPRGKRZSA-N 312.344 3.480 10 10 DGCE Cc1ccc(CN[C@H]2CSC[C@H]2C)c(O)c1Br 2307478329 WWUTVIZQUOHDIX-KOLCDFICSA-N 316.264 3.304 10 10 DGCE Oc1c(F)cc(Br)cc1CN[C@@H]1C[C@H]2C=C[C@@H]1C2 2310112658 ZBRMQVOKAWFJFM-IGJMFERPSA-N 312.182 3.348 10 10 DGCE CCN(CC)c1ccc(CN2[C@H]3CC[C@H]2CC(O)C3)cc1F 126633889 KZEYFDDNIQJPAO-GJZGRUSLSA-N 306.425 3.160 10 10 DGCE COCC1CCN(c2ccc(CN)c(C(F)(F)F)c2)CC1 70079845 DCJWLYVEZULQEG-UHFFFAOYSA-N 302.340 3.027 10 10 DGCE Oc1ccc(Cl)c(F)c1CN1CC[C@@H](Oc2cccnc2)C1 191407019 MCAPARDTJKRNEH-GFCCVEGCSA-N 322.767 3.233 10 10 DGCE CC[C@@H](NC1CC(OC)C1)c1cc(Br)ccc1O 229578419 HBDRIIQTLLBZAZ-GCZXYKMCSA-N 314.223 3.373 10 10 DGCE CCOCCN(CC)c1ccc(CNC)cc1Br 233711754 NUUIPOZBXZMCAC-UHFFFAOYSA-N 315.255 3.031 10 10 DGCE C[C@H](NC[C@@H]1COc2ccccc2O1)c1cc(F)ccc1O 388389272 RPXMGSAQNLIIQC-WCQYABFASA-N 303.333 3.022 10 10 DGCE COCCN(Cc1ccccc1)c1ccc(/C=C\C(=O)O)cc1 384384108 MOZLGEREHDCXMT-XFXZXTDPSA-N 311.381 3.437 10 10 DGCE CC[C@@H]1SCCS[C@@H]1[C@H](O)c1ccc2c(c1)CCN2C 2163063008 OQKJUIFPDBCFAU-XHSDSOJGSA-N 309.500 3.340 10 10 DGCE CCN(CC)c1ccc(CN2[C@H]3CC[C@H]2[C@H](CO)C3)cc1F 811519049 SKBXWIRJHXSXMJ-ZOBUZTSGSA-N 306.425 3.017 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)N[C@H](C)C(F)(F)F 824379456 BMXMSOUZMCHAQC-SNVBAGLBSA-N 304.312 3.265 10 10 DGCE CN(C)c1ccc(/C=C/CNC[C@](C)(O)c2ccccc2)cc1 835038965 DOPJPTZQCVFMQQ-DUIUGDAFSA-N 310.441 3.263 10 10 DGCE C[C@H](N[C@H](CO)CCc1ccccc1)c1cc(F)cc(F)c1O 903288539 CUOBGAGPDSYWJP-WFASDCNBSA-N 321.367 3.315 10 10 DGCE Cc1cc(O)c(CN[C@H](c2ccccc2F)[C@H](C)O)cc1C 846015720 CXAJMBQRODCRNW-UGSOOPFHSA-N 303.377 3.360 10 10 DGCE COC[C@H](C)Cc1noc(-c2ccc(-n3cccc3)c(F)c2)n1 844880699 LZMOUOODVKILIR-GFCCVEGCSA-N 315.348 3.491 10 10 DGCE CC1(C(=O)O)CCN(Cc2ccc(N3CCCCC3)cc2)CC1 843041614 ULQQHEFXWUEQKJ-UHFFFAOYSA-N 316.445 3.364 10 10 DGCE COc1cc(C)cc(CN2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1O 840113628 FRTHIOFOSXFAQI-BRWVUGGUSA-N 319.445 3.225 10 10 DGCE COC(=O)c1ccc(O)c([C@H](C)NC[C@@]2(C)C[C@@H]3C[C@@H]3C2)c1 858536439 HTKJUGKNQZEIBH-NASWQRNTSA-N 303.402 3.266 10 10 DGCE C[C@@H](NCC12CC(CN1)C2)c1ccc(N2CCCCC2)c(F)c1 854228495 XIBQRINYXTYEBN-TZGCNFNXSA-N 317.452 3.219 10 10 DGCE OC[C@@H]1C[C@@H]2CN(c3ccc(OCc4ccccc4)cc3)C[C@H]21 1899861388 BPHSXNJAUBIXRQ-FUHIMQAGSA-N 309.409 3.330 10 10 DGCE COc1ccc(N2CCC(NC[C@@H]3CCC[C@@H](C)O3)CC2)cc1 850379396 NQFDNPZGCKCJHT-BEFAXECRSA-N 318.461 3.211 10 10 DGCE Cc1c(NC(=O)NCc2c(O)cccc2F)cnn1CC(C)C 930612697 VWQWXEHSGMPHTJ-UHFFFAOYSA-N 320.368 3.014 10 10 DGCE COc1cccc(O)c1CN1C[C@@H](C)O[C@H](c2ccccc2)C1 769107126 UDNLVSKWOBVIRU-KUHUBIRLSA-N 313.397 3.363 10 10 DGCE FC1(F)CCC[C@H](NCc2ccc(N3CCOCC3)cc2)C1 767927804 CTWIXOUKDIWECN-HNNXBMFYSA-N 310.388 3.191 10 10 DGCE CC1(C)CCc2onc(-c3nc(Cc4ccc(N)cc4)no3)c2C1 872171326 RRAIPICUECBACM-UHFFFAOYSA-N 324.384 3.413 10 10 DGCE COc1c([N+](=O)[O-])ccc(CN(C)C[C@@H]2CC=CCC2)c1O 775061106 SATCUMCWIQNKEO-GFCCVEGCSA-N 306.362 3.097 10 10 DGCE CO[C@@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)C(C)(C)C 896774218 GTNLSSSWTXTRQF-AWEZNQCLSA-N 323.414 3.103 10 10 DGCE Cc1cc(C(=O)N2CCCCN2)c(C)n1-c1cccc(Cl)c1 1140203781 OFLCNMDMHNNACZ-UHFFFAOYSA-N 317.820 3.488 10 10 DGCE C[C@H](c1ccc(O)cc1O)N(CCC(=O)O)Cc1ccccc1 692429183 RIPBSWCPOXOETP-CYBMUJFWSA-N 315.369 3.136 10 10 DGCE O=C(O)[C@H]1CCC[C@@H](NCc2cc(Cl)cc(Cl)c2O)C1 86787756 PCCWEBFQFMPIDT-GZMMTYOYSA-N 318.200 3.432 10 10 DGCE Oc1ccc(Cl)cc1CN[C@H]1CCOC[C@H]1C(F)(F)F 1916618208 XAUXTGPYOBETOH-MNOVXSKESA-N 309.715 3.103 10 10 DGCE Cc1cc(CN2C[C@H]3CC[C@@H](O)[C@H]3C2)ccc1N1CCCCC1 1308072404 WLIXDDBFYWEVHP-WSTZPKSXSA-N 314.473 3.188 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1CC1(C)C 1230196308 YEQFDMUYDBAFIP-BBRMVZONSA-N 303.450 3.090 10 10 DGCE CN(c1ccc(CN)c(Br)c1)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@@H]12 2116354197 IPAANTUIOIJFNU-FXBFXLCLSA-N 321.262 3.389 10 10 DGCE [N-]=[N+]=NC[C@H]1CCN(C(=O)c2csc(Br)c2)C1 1912146715 DQJCATBRWDQPHF-SSDOTTSWSA-N 315.196 3.283 10 10 DGCE Cc1cc(CO)ccc1N(C)Cc1cnn(Cc2ccccc2)c1 1915012238 NAWVREUDLFBKCA-UHFFFAOYSA-N 321.424 3.369 10 10 DGCE Nc1c(Cl)cccc1C(=O)NCc1cc(Cl)ccc1O 1452936571 PVEKRLJAGVDKIY-UHFFFAOYSA-N 311.168 3.211 10 10 DGCE COc1ccc2cc(C(=O)N[C@@H](C)c3ccccc3O)cnc2c1 1454819294 QEJMMGRWXVLXNN-LBPRGKRZSA-N 322.364 3.440 10 10 DGCE Cc1cccc(C(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 1459180519 ZWYZNCKLDOXKNU-AWEZNQCLSA-N 310.397 3.121 10 10 DGCE C[C@@H](CSC(F)(F)F)C(=O)NCc1ccc(N(C)C)cc1 1531322616 ZXTSGMNHYJUBQO-JTQLQIEISA-N 320.380 3.258 10 10 DGCE C[C@@H](CCNCc1ccccc1O)N(C)C(=O)OC(C)(C)C 112102391 LVAVRPFQWSXAMH-ZDUSSCGKSA-N 308.422 3.127 10 10 DGCE CCO[C@H](CN1CCCc2cc(OC)cc(OC)c21)C1CC1 1473554160 YLJJHHWKIIJYIT-QGZVFWFLSA-N 305.418 3.272 10 10 DGCE O=C(NCc1cc(O)ccc1O)c1ccccc1C(F)(F)F 1558174338 JNBPNMUKULVBAC-UHFFFAOYSA-N 311.259 3.047 10 10 DGCE CC(=O)C1(NC(=O)c2cc(C)ccc2-n2c(C)ccc2C)CC1 1556927600 HNXDIYKHCZJKBQ-UHFFFAOYSA-N 310.397 3.254 10 10 DGCE C[C@H](NC(=O)c1ccccc1-n1cccn1)c1ccccc1O 1635798836 DJSWYSZZDJABDE-ZDUSSCGKSA-N 307.353 3.069 10 10 DGCE COc1cc(NC(=O)c2cccc(O)c2O)c(Cl)c(OC)c1 1637844899 WRBKEUFJDNUUSN-UHFFFAOYSA-N 323.732 3.021 10 10 DGCE O=C(NCC=C(Cl)Cl)c1cc2cc(O)c(O)cc2s1 1570869615 QTERVGFUNAQZGQ-UHFFFAOYSA-N 318.181 3.361 10 10 DGCE CN[C@H](CCCN(C)C(=O)OC(C)(C)C)c1ccccc1O 1928468886 BFZWWKPHZAPVNL-CQSZACIVSA-N 308.422 3.300 10 10 DGCE CCC(=CC(=O)N(C)CCN(C)c1ccc(OC)cc1)CC 1586649610 PFIZLYIHVIJLNP-UHFFFAOYSA-N 304.434 3.336 10 10 DGCE CC1CCN(C2=NC(=O)/C(=C\c3ccc(O)cc3)S2)CC1 5825943 YXVQVHPYLWLIEP-GXDHUFHOSA-N 302.399 3.094 10 10 DGCE COc1ccc2ccc(O)c(CN3C[C@H](C)O[C@@H](C)C3)c2c1 16075997 UDKJLTDJDPJWGG-STQMWFEESA-N 301.386 3.163 10 10 DGCE Cc1ccc([C@](C)(O)CN[C@H](C)c2ccc(N(C)C)cc2)o1 165649500 IGQOKJTYAUUGHN-RDTXWAMCSA-N 302.418 3.212 10 10 DGCE CCC(CC)c1n[nH]c(=Nc2ccc([N+](=O)[O-])cc2O)s1 1859857752 HXFUEAJRTLQNRO-UHFFFAOYSA-N 308.363 3.221 10 10 DGCE COC1(OC)CC[C@@H]1CNCc1cc(Cl)cc(Cl)c1O 1972387090 HAGVNZJRGCVILU-SNVBAGLBSA-N 320.216 3.188 10 10 DGCE CN(C)c1ccc([C@]2(O)CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 1977938170 HBDHPGFCQAVHFR-KDOFPFPSSA-N 320.433 3.017 10 10 DGCE CC(C)(C)OC(=O)N1CCC(F)(COc2ccc(N)cc2)CC1 1992435584 MQLWZWJNNIHILL-UHFFFAOYSA-N 324.396 3.387 10 10 DGCE Cc1ccc(C(=O)NCc2ccc(N)cc2)c(Br)c1 163599142 IYZFMQVPMMLZJU-UHFFFAOYSA-N 319.202 3.270 10 10 DGCE [N-]=[N+]=NCC1(CNC(=O)c2cc(Br)cs2)CC1 2006020971 OBGBXRAXNABCKU-UHFFFAOYSA-N 315.196 3.331 10 10 DGCE Cc1cc(Br)cc(CN2C[C@H](F)C[C@H]2C)c1O 1233105951 FKMDBEAVRCXPRF-BXKDBHETSA-N 302.187 3.395 10 10 DGCE Cc1ccc([C@@H](C2CC2)n2nc(C(C)C)c(N)c2N)c(O)c1 2078980804 IQGMKTWAFLTOCS-MRXNPFEDSA-N 300.406 3.184 10 10 DGCE Oc1c(F)cc(F)cc1CN[C@H]1CS[C@H](C(F)(F)F)C1 2189247232 XKMZQUIMXNFMEY-SCZZXKLOSA-N 313.291 3.196 10 10 DGCE C[C@H]1CCOCC[C@@H]1NCc1cc(Br)ccc1O 2046731210 MVNGANXLPMBYJK-GWCFXTLKSA-N 314.223 3.059 10 10 DGCE CCC[C@@H]1C[C@H]1NCc1c(Br)ccc(OC)c1O 2220463208 XYBDUAPOSCLYKW-BXKDBHETSA-N 314.223 3.442 10 10 DGCE CC[C@@H]1CN[C@H](C)CN1c1ccc(OC)cc1Br 2221622889 CNSNRXODCRDIHU-GHMZBOCLSA-N 313.239 3.034 10 10 DGCE CSc1ncc(CN=c2[nH]c(Cl)nc3ccccc23)s1 2284695843 AJWSLJQYKIRIBQ-UHFFFAOYSA-N 322.846 3.496 10 10 DGCE CC[C@H](C)[C@H]1CN(Cc2cnc(SC)s2)[C@@H](CC)CN1 2284677038 MTDRCINUYYLTLV-SGMGOOAPSA-N 313.536 3.464 10 10 DGCE CN1C(=O)C(=Cc2cccc(OC(F)F)c2)SC1=S 2297414447 FUXCWWFSMSTTRT-UHFFFAOYSA-N 301.339 3.119 10 10 DGCE Cc1ncc(C=CC(=O)N2C[C@H](C)Oc3cc(F)ccc32)s1 2297666899 TZLSYPDHNCXAKY-JTQLQIEISA-N 318.373 3.418 10 10 DGCE CC(C)c1nc(C=Cc2ccc3c(c2)CCN3C)ncc1C(=O)O 2303184531 BPYHECYIPJRQGX-UHFFFAOYSA-N 323.396 3.461 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)c(Br)c1 2308716383 QBRVUQDYADKYDW-FEHBXSEYSA-N 308.219 3.347 10 10 DGCE O=C(O)C1CCN(N=Nc2ccc([N+](=O)[O-])cc2Cl)CC1 2330196840 JMDAMNUVNXLGHS-UHFFFAOYSA-N 312.713 3.044 10 10 DGCE CC(C)(C)OC(=O)N[C@H](C(=O)O)c1ccc2ccccc2c1O 1951385317 ZWARRNTUCSOWFM-ZDUSSCGKSA-N 317.341 3.196 10 10 DGCE COc1ccc([C@@](C)(Nc2ccc(Cl)cc2)C(N)=O)cc1 37951381 KRAHNNZCYGCHHO-MRXNPFEDSA-N 304.777 3.161 10 10 DGCE CS[C@@H](C)CNCc1cc(C)cc(Br)c1O 134751350 VANGLNZXNRGVAX-VIFPVBQESA-N 304.253 3.304 10 10 DGCE COc1ccc(CN2CCC(Oc3ccccc3)CC2)c(O)c1 91682792 KLLPTKAVAHBYLK-UHFFFAOYSA-N 313.397 3.444 10 10 DGCE c1nc2c([nH]1)C[C@@H](NCc1ccc(N3CCCCC3)cc1)CC2 377788773 YCQZYGCOIRMMAY-INIZCTEOSA-N 310.445 3.047 10 10 DGCE CO[C@@H](C)c1cccc(NC(=O)NCc2ccccc2O)c1 727032883 VZFWADHRVBQHAG-LBPRGKRZSA-N 300.358 3.421 10 10 DGCE Oc1c(F)cc(Cl)cc1CNCCCC1CCOCC1 824477683 VPHGNTJXOHTADF-UHFFFAOYSA-N 301.789 3.481 10 10 DGCE C[C@@H]1C[C@H]1CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 725848619 YZCVVWVOKPVATQ-HIFRSBDPSA-N 303.406 3.331 10 10 DGCE Cc1cc(NC(=O)c2cc(O)c(O)c(O)c2)ccc1C(C)C 586735519 QYCZZVVVCYXAOS-UHFFFAOYSA-N 301.342 3.488 10 10 DGCE CN1CCCc2cc(CNC(=O)N3CCC[C@@](C)(F)C3)ccc21 838032039 VMRRWOHDJPCILE-GOSISDBHSA-N 319.424 3.103 10 10 DGCE O=C(CC[C@@H]1CCc2ccccc21)NCc1ccc(O)cc1O 910955829 GQMLIIXOYPMILW-AWEZNQCLSA-N 311.381 3.224 10 10 DGCE COc1cccc(CNC(=S)Nc2ccc(Cl)cc2)n1 748044860 MTUGIPMZQRWADK-UHFFFAOYSA-N 307.806 3.230 10 10 DGCE CCN(CC(C)C)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] 915211468 SQLYOZFUAXOXND-CLFYSBASSA-N 306.362 3.263 10 10 DGCE COc1cccc(CNCc2cc([N+](=O)[O-])ccc2Cl)c1O 756900682 XCDJPKYNVFXYDN-UHFFFAOYSA-N 322.748 3.252 10 10 DGCE COc1ccc(N2CC[C@H](Nc3nc(C)nc(C)c3C)C2)cc1 853759569 WQHPPMBKXUEJQU-HNNXBMFYSA-N 312.417 3.101 10 10 DGCE CSCCC(=O)NCc1cc(C)n(-c2ccccc2)c1C 863168277 YCGBNGSDMAJBSA-UHFFFAOYSA-N 302.443 3.463 10 10 DGCE CS[C@@H]1CC[C@@H]1N[C@H](C)c1ccc(N2CCOCC2)cc1 766603058 MDJIYMHIRLLKTJ-XOKHGSTOSA-N 306.475 3.068 10 10 DGCE CCc1nc(NC(=O)NCc2c(O)cccc2F)sc1C 1119764401 VXVYUUGVMGWGFJ-UHFFFAOYSA-N 309.366 3.180 10 10 DGCE COc1ccc(N(C)Cc2ccc([N+](=O)[O-])c(OC)c2)cc1F 778948278 LAFPCRNNMKWKIE-UHFFFAOYSA-N 320.320 3.388 10 10 DGCE Oc1ccc(CNCc2cccc(Br)c2O)cc1 101600147 AXEBCGCEEMPMTI-UHFFFAOYSA-N 308.175 3.150 10 10 DGCE CC[C@@H](NCc1cccnc1N(C)C)c1ccc(F)cc1O 796691814 DWEALQMLINPYFS-OAHLLOKOSA-N 303.381 3.233 10 10 DGCE Oc1ccc(Cl)cc1CN[C@H]1CCOC[C@@H]1C(F)(F)F 1916618209 XAUXTGPYOBETOH-QWRGUYRKSA-N 309.715 3.103 10 10 DGCE CCc1ccc(C)nc1NC(=O)c1ccc(N=NC(N)=O)cc1 1306873423 AZGRVTFCPXHBJC-UHFFFAOYSA-N 311.345 3.367 10 10 DGCE O=C(NCc1c(O)cccc1O)c1cc2sccc2s1 1178905954 TWQDOQFVPSNPHH-UHFFFAOYSA-N 305.380 3.304 10 10 DGCE CCNc1nc(CN[C@H](C)c2cc(OC)ccc2O)cs1 1192780317 CROZYUPAECUEIB-SNVBAGLBSA-N 307.419 3.140 10 10 DGCE O=C(O)C=Cc1ccc(N2C[C@H]3CSC[C@@H]3C2)c(Cl)c1 1911950942 KJGDFNVBPUWZOT-RYUDHWBXSA-N 309.818 3.237 10 10 DGCE Cc1cc(CC(=O)Nc2ccnn2C)c(C)n1-c1ccccc1 1358193680 PNSPCQFETQUJEN-UHFFFAOYSA-N 308.385 3.009 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)/C(C)=C/c2ccccn2)c1 1445971230 ULDSCMFVZAYXMD-RSKUSDAESA-N 312.369 3.077 10 10 DGCE CCOc1cc(CNCCOC)ccc1N1CCCC[C@@H]1C 212714008 ALGNJWPJDYSHMG-HNNXBMFYSA-N 306.450 3.200 10 10 DGCE CN(Cc1ccc2ccccc2c1)C(=O)Cc1ccc(O)c(O)c1 1440340207 GNBANOWHNPBQCZ-UHFFFAOYSA-N 321.376 3.452 10 10 DGCE C[C@H](N)c1ccc(N(Cc2ccccc2)[C@@H](C)CO)c(F)c1 1914367283 YDRHQMUEDRRNIG-KBPBESRZSA-N 302.393 3.233 10 10 DGCE Cc1ccc(CNC(=O)c2ccc(N=NC(N)=O)cc2)c(C)c1 1290744824 YWSYSIXVMJHHDN-UHFFFAOYSA-N 310.357 3.396 10 10 DGCE CC(C)(C)NCc1ccc(N2CC(F)C2)c(Br)c1 1917007415 WGPXQUZIKIBSDZ-UHFFFAOYSA-N 315.230 3.495 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC/C=C\Cl 1472263647 UJIOUYHZYDDIQX-YVMONPNESA-N 316.788 3.389 10 10 DGCE CC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(F)cc1F 1629497364 XBSZGSFIPYCREB-CQSZACIVSA-N 321.323 3.186 10 10 DGCE CN(CC[C@@H](O)c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C 1959566776 HEIAILUFZVDHQM-OAHLLOKOSA-N 308.422 3.043 10 10 DGCE CCCCN1C(=O)CC[C@@H]2CN(Cc3ccccc3O)CC[C@@H]21 14992333 JBKHZUHPLBWAHJ-WBVHZDCISA-N 316.445 3.005 10 10 DGCE O=C1/C(=C\[C@@H]2CC=CCC2)SC(=S)N1C[C@H]1CCCO1 5376569 RMUGCXRQFPCRGN-AJGRILASSA-N 309.456 3.266 10 10 DGCE CN1N=C(c2ccccc2)/C(=C/c2c[nH]c3ccccc23)C1=O 1865672787 LLDIVKQOXHAQSX-WJDWOHSUSA-N 301.349 3.428 10 10 DGCE CC(C)(C)OC(=O)N[C@]12CCCC[C@H]1CN(CCN=[N+]=[N-])C2 1962288599 YUVZDVLVSPQIQF-WFASDCNBSA-N 309.414 3.066 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H](N(CCN=[N+]=[N-])C2CC2)C1 1962303912 JVNKSTQRZIMBKM-CYBMUJFWSA-N 309.414 3.161 10 10 DGCE CN(Cc1cc(Cl)cc(Cl)c1O)[C@H]1CCC[C@H]1CN 249957803 CLCYEPALZMBLSW-ZANVPECISA-N 303.233 3.258 10 10 DGCE CC[C@]1(CNCc2ccc(Br)cc2O)CCCO1 2030258844 QRJUMRWTNSJIPX-CQSZACIVSA-N 314.223 3.204 10 10 DGCE CNCc1ccc(N2CC(C(F)(F)F)C2)c(Br)c1 2034849403 KXVUDHJMJJBAHG-UHFFFAOYSA-N 323.156 3.167 10 10 DGCE CCNCc1ccc(N2C[C@@H]3C[C@@]3(C)C2)c(Br)c1 2035041627 VDEDBUHMFSHMJU-WFASDCNBSA-N 309.251 3.405 10 10 DGCE NCc1ccc(N2CCC=C(Br)C2)cc1Cl 404475213 NQNPECKBLOMEFA-UHFFFAOYSA-N 301.615 3.288 10 10 DGCE CNCc1ccc(N2CCC[C@H](F)C2)cc1Br 701825906 AMCHTUYPPWGVDD-NSHDSACASA-N 301.203 3.107 10 10 DGCE CN(C)c1ccc(C=C2SC(N3CCCCC3)=NC2=O)cc1 2053466989 LWVUAWHWEMYMOW-UHFFFAOYSA-N 315.442 3.209 10 10 DGCE NCc1ccc(N2CCO[C@@H](c3cccs3)C2)c(Cl)c1 2171854843 LHCNXTVOOCJATN-CQSZACIVSA-N 308.834 3.438 10 10 DGCE CCN(C[C@H](C)OC)c1ccc(CNC)c(Br)c1 382794869 UCYDNDWJIWQTCZ-NSHDSACASA-N 315.255 3.030 10 10 DGCE C[C@@H](CC(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1)P(C)(C)=O 2196546007 QEALDUNHZGSLSF-RYUDHWBXSA-N 300.343 3.327 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@H]32)c(Br)c1 2053731587 XHJXOKOKMADWCO-CXQYMPKFSA-N 308.219 3.347 10 10 DGCE COC[C@@]1(C)CCN1c1ccc([C@@H](C)N)cc1Br 2055900463 BNDUKSDDSWQUOE-QMTHXVAHSA-N 313.239 3.084 10 10 DGCE CNCc1ccc(N2C[C@@H]3CC=CC[C@H]32)cc1Br 2057023742 YJIVEWSBOWLAEL-SWLSCSKDSA-N 307.235 3.323 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@@H]1NC(=O)c1cccn1Cc1ccccc1 2210528092 ACIZLVMMCVAUHX-GJZGRUSLSA-N 309.373 3.498 10 10 DGCE Nc1ccc(CC(=O)Nc2nc(C3(Cl)CC3)cs2)cc1 2206696845 NDPYVPYVLFYZMX-UHFFFAOYSA-N 307.806 3.134 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)c1nc(Cl)ccc1Cl 2225796346 WITQZKLWMSNNJT-HTQZYQBOSA-N 300.149 3.350 10 10 DGCE NCc1cc(F)c(N2CCC[C@H]2COC(F)F)cc1Cl 2236736332 FCHQMYJPVUBVJT-VIFPVBQESA-N 308.731 3.146 10 10 DGCE CCCc1nc(Sc2ncc(CN[C@@H](C)CC)s2)n[nH]1 2240000391 MLQRZMXCSUWCCR-VIFPVBQESA-N 311.480 3.253 10 10 DGCE CSc1ncc(CN=c2nc(C(C)(C)C)s[nH]2)s1 2256943913 WVCJQRCUVMBKJO-UHFFFAOYSA-N 300.478 3.048 10 10 DGCE CC1(CS(=O)(=O)CCCCN=[N+]=[N-])CC(C(F)(F)F)C1 2287309110 STEXBLFHKVOKLU-UHFFFAOYSA-N 313.345 3.470 10 10 DGCE O=C1C(=C[C@H]2CC=CCC2)SC(=S)N1C[C@H]1CCCO1 2296701107 RMUGCXRQFPCRGN-NWDGAFQWSA-N 309.456 3.266 10 10 DGCE CCCN(CCC)NCc1cccc(Br)c1O 2302475478 PHJHNWLTMYONJF-UHFFFAOYSA-N 301.228 3.281 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)NCCSc1ccccc1 2307982082 MSAHCDXQWIXGGR-UHFFFAOYSA-N 315.394 3.020 10 10 DGCE Cc1ccccc1C=C1SC(=S)N(C[C@H]2CCCO2)C1=O 2323744646 VMDCGQOYDXENQV-CYBMUJFWSA-N 319.451 3.375 10 10 DGCE Cc1nsc(Br)c1NCc1ccc(O)cc1O 2307224496 HWDPXZIBLRHQSN-UHFFFAOYSA-N 315.192 3.237 10 10 DGCE Nc1cccc(Br)c1N[C@@H]1CCC[C@]23C[C@H](CO2)[C@H]13 2328946391 DOUALGCNNYSPGF-QGMIFYJMSA-N 323.234 3.401 10 10 DGCE CN(c1ccc(CN)cc1Br)[C@@H]1C[C@@H]2C[C@H]1[C@H]1C[C@@H]21 2330299668 MKPIZOQEQWIEHZ-AYZOYYRMSA-N 321.262 3.389 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1cc(CC(C)C)n[nH]1 174953946 PBAKPVSXGKIUFA-UHFFFAOYSA-N 315.417 3.366 10 10 DGCE CCCNCc1cc(F)c(N(CC)CCOCC)c(F)c1 111120781 WTOXXTQKQULRRP-UHFFFAOYSA-N 300.393 3.327 10 10 DGCE CC(=O)C(=O)c1ccc2nc(NC(=O)OC(C)(C)C)sc2c1 1951481069 STLMPKMPCOCJIR-UHFFFAOYSA-N 320.370 3.415 10 10 DGCE COc1sc2cc(I)ccc2c1O 307444602 DHAXEUFEXVRMLX-UHFFFAOYSA-N 306.124 3.220 10 10 DGCE COc1cccc(CNCc2nc3ccccc3n2C2CC2)c1O 184773348 GKJNPOAJKGUKCB-UHFFFAOYSA-N 323.396 3.375 10 10 DGCE C[C@H]1CCC[C@@H](C)N1NCc1cccc(Br)c1O 214096916 NXMMBTQRVNNQBA-PHIMTYICSA-N 313.239 3.422 10 10 DGCE COc1ccc(O)c(CN2C[C@H]3CCC(=O)c4cccc2c43)c1 185630450 HAMIQPGSXJXYSN-GFCCVEGCSA-N 309.365 3.481 10 10 DGCE c1cc(N2CCCCC2)ccc1CNC1CCN(C2CC2)CC1 73381095 BTSCRKJNFFTXCN-UHFFFAOYSA-N 313.489 3.393 10 10 DGCE COc1ccc(N2CCN(C(=O)[C@@H](C)C3CCCC3)CC2)cc1 41334779 AAYORXZPSLKSBI-HNNXBMFYSA-N 316.445 3.170 10 10 DGCE COc1cc(NCc2cccc(O)c2O)c(OC)cc1Cl 41116265 OYGHBOYRZUEAHD-UHFFFAOYSA-N 309.749 3.381 10 10 DGCE CCc1nc(C2CCN(Cc3cc(C)c(C)cc3O)CC2)n[nH]1 191684544 ZOSMJPVRCPGXOA-UHFFFAOYSA-N 314.433 3.069 10 10 DGCE CNCc1ccc(N(C)Cc2ccco2)c(Br)c1 234409073 ZMDBWOBDWMCFGV-UHFFFAOYSA-N 309.207 3.398 10 10 DGCE CO[C@H]1CCCN([C@@H](C)c2cc(Br)ccc2O)C1 230935328 JQXWNLNVOXLYSH-JQWIXIFHSA-N 314.223 3.327 10 10 DGCE C[C@@H](CN[C@H](C)c1ccc(F)c(F)c1O)N1CCC[C@@H](C)C1 248924969 LJPUBNQJFQUGFA-FRRDWIJNSA-N 312.404 3.441 10 10 DGCE CN(C)c1ccc(CN[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cc1F 246246056 SBZWRSJTBCZDBE-KBRIMQKVSA-N 306.425 3.185 10 10 DGCE CC[C@@H]1CN(Cc2cc(Cl)cc(C)c2O)C[C@@H](C)[S@]1=O 809700120 XVLDTHDGWDOUHA-QRVQBPJGSA-N 315.866 3.085 10 10 DGCE COC(=O)[C@](C)(CCF)NCc1cc(Cl)cc(Cl)c1O 827352684 NIKSVNOJHMZRCP-ZDUSSCGKSA-N 324.179 3.080 10 10 DGCE CC[C@H]1[C@H](CO)CCN1Cc1cc(Cl)cc(Cl)c1O 824636052 LHGIMQRHMYQDEZ-ZANVPECISA-N 304.217 3.292 10 10 DGCE CSCCCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 735997973 IAFJHEVKYUEIKI-UHFFFAOYSA-N 306.475 3.387 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)Cc2sc(C)cc2C)c1 901128266 VCDBTTCUVNITSL-LBPRGKRZSA-N 319.426 3.499 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCC[C@@H]3COCC[C@H]32)cc1 835029572 RKSWMYYAVUROTM-TUOCYHOTSA-N 300.446 3.267 10 10 DGCE Cc1cc(F)cc(C(=O)Nc2cccc(N3CCOCC3)c2)c1 742567506 YHELKVZYAQBWOF-UHFFFAOYSA-N 314.360 3.223 10 10 DGCE Oc1cccc2c1[C@H](NCc1ccc3c(c1)OC(F)(F)O3)CC2 842891876 XHLSJBCQZPOKNA-GFCCVEGCSA-N 319.307 3.491 10 10 DGCE Cc1ccc2ncc(CN3CCCc4cc(CN)ccc43)n2c1 843057750 HURHSCZBIODAPR-UHFFFAOYSA-N 306.413 3.054 10 10 DGCE COc1ccc(CN[C@H](C)C(=O)OCc2ccccc2)cc1C 848920485 HMFRYPMUGSAYPK-OAHLLOKOSA-N 313.397 3.225 10 10 DGCE CC[C@@H](N[C@H](COC)C1CCOCC1)c1ccc(F)cc1O 850494864 YNDVJKJXDWFPRB-HZPDHXFCSA-N 311.397 3.014 10 10 DGCE COC(=O)Cc1ccnc(N[C@@H](C)c2ccc(N(C)C)cc2)c1 853484888 WXRJMHJSLZHTIF-ZDUSSCGKSA-N 313.401 3.036 10 10 DGCE Nc1ccc(Cc2noc([C@H]3COC[C@H]3c3ccccc3)n2)cc1 854134638 RPFJZGPMBARXRO-IRXDYDNUSA-N 321.380 3.140 10 10 DGCE CC[C@H]1C(=O)N([C@@H](C)c2ccc(N(C)C)cc2)C(=O)N1C1CC1 761576168 ASKWYIIUQCXKMA-LRDDRELGSA-N 315.417 3.019 10 10 DGCE Oc1ccc(Cl)cc1CN1CCC[C@@H](NCC2(F)CC2)C1 792980436 RBUFSJQZPVDLPM-CQSZACIVSA-N 312.816 3.102 10 10 DGCE CCNCc1ccc(N2C[C@H]3CC[C@@H]3C2)c(Br)c1 711242057 MWIPOMDJYCSTDP-CHWSQXEVSA-N 309.251 3.405 10 10 DGCE CCN[C@@H](C)c1ccc(N2CC(F)C2)c(Br)c1 1916990408 BONSKJZXLAQGHH-VIFPVBQESA-N 301.203 3.278 10 10 DGCE C[C@H](OCc1ccccc1)C(=O)NCc1cccc(Cl)c1O 1159034082 QXGRBDUQJORBLO-LBPRGKRZSA-N 319.788 3.267 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)CC1(C(F)(F)F)CC1 1322816173 WZLUNARBAKEUER-UHFFFAOYSA-N 314.351 3.444 10 10 DGCE O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1N[C@H]1CCOC1 1185898281 KTVBRUCIXDRMJX-ZDUSSCGKSA-N 312.325 3.027 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@]1(C)CCCCO1 1349119107 QSQRYQHQPZZNBF-LJQANCHMSA-N 316.445 3.204 10 10 DGCE Cc1cc(CC(=O)N(C)c2ccon2)c(C)n1-c1ccccc1 1277787710 FJWCQNJNQAUZDC-UHFFFAOYSA-N 309.369 3.288 10 10 DGCE COc1cc(Cl)ccc1OC(=O)c1ccc(C)c(O)c1O 1299516219 NUKAKIDADRFHAJ-UHFFFAOYSA-N 308.717 3.287 10 10 DGCE CCNCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(OC(C)C)c1 212120354 NZFADIMENOKPTR-GJZGRUSLSA-N 306.450 3.197 10 10 DGCE COc1ccc2c(c1)C[C@H](C(C)C)CN2Cc1nonc1C 1460286063 PHNRRVDXSCJVDZ-AWEZNQCLSA-N 301.390 3.222 10 10 DGCE Cc1ccc(O)c(CNCCc2nccn2Cc2ccccc2)c1 113319796 SQTWGCSMYNNMSG-UHFFFAOYSA-N 321.424 3.278 10 10 DGCE CN(C(=O)Cc1ccc(O)c(O)c1)c1ccc2ccccc2c1 1629292339 KGEQOOBBNSDDDW-UHFFFAOYSA-N 307.349 3.457 10 10 DGCE CC[C@H](C)CC(=O)N(C)C[C@H](C)NCc1ccc(OC)c(C)c1 1571384783 VXCMDNSMJCFWBH-HOCLYGCPSA-N 320.477 3.376 10 10 DGCE Cc1cnc(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)[nH]1 1642606893 KOMAENIAARPXEM-UHFFFAOYSA-N 308.385 3.056 10 10 DGCE CO[C@@H](C(=O)NCc1c(O)ccc2ccccc12)C1CCCC1 1647794868 RHDJBXBANPMHLU-GOSISDBHSA-N 313.397 3.367 10 10 DGCE CCCC[C@@H](NC(=O)OC(C)(C)C)[C@H](N)c1ccccc1O 1928469213 FWBOVAJUFIDOBZ-UKRRQHHQSA-N 308.422 3.476 10 10 DGCE COc1ccc2c(c1)CCN2C(=O)c1ccccc1-c1cn[nH]c1 1597819681 OXAFHOQSTPKHRZ-UHFFFAOYSA-N 319.364 3.288 10 10 DGCE CNCc1ccc(N(CCOC)C2CC2)c(C(F)(F)F)c1 163695376 LBUWDSXCGVGYKW-UHFFFAOYSA-N 302.340 3.040 10 10 DGCE COc1ccc(-c2ccc(=Nc3cc(C)ccc3O)[nH]n2)cc1 1859856624 ODHVZALGBIMFNR-UHFFFAOYSA-N 307.353 3.332 10 10 DGCE C[C@@H]1C[C@@]1(NC(=O)OC(C)(C)C)[C@@H](N)c1ccc(N(C)C)cc1 1984178511 MKVZFXXUWZUCLZ-MRAWALMUSA-N 319.449 3.056 10 10 DGCE O=S(=O)(Nc1ccc(O)cc1F)c1ccsc1Cl 2032678298 BMCMNSRFGRQQRN-UHFFFAOYSA-N 307.755 3.047 10 10 DGCE CCNCc1ccc(N2CCO[C@H](CCF)C2)cc1Cl 700590325 HRYZXFMUCXMVFG-CQSZACIVSA-N 300.805 3.014 10 10 DGCE CC(C)(C)O[C@H]1CCN(c2cc(Cl)c(CN)cc2F)C1 2177379850 ANFAIKMPIYYPIM-NSHDSACASA-N 300.805 3.332 10 10 DGCE COC[C@@H]1CC[C@@H](N(C)c2cc(Cl)c(CN)cc2F)C1 2177383614 OSNGIFAXOJRFSL-ZYHUDNBSSA-N 300.805 3.189 10 10 DGCE COC[C@@H](C)N(C)Cc1cc(Cl)cc(Br)c1O 708134314 RHYMIAWSMMNHGI-MRVPVSSYSA-N 322.630 3.275 10 10 DGCE CCCN[C@]1(C(=O)O)C[C@H](Sc2nccs2)CC[C@@H]1C 2175746041 LKZMRRYFHCDXLQ-MISXGVKJSA-N 314.476 3.247 10 10 DGCE CC[C@H](c1ccc(C)cc1O)n1nc(C(C)C)c(C(=O)O)c1N 2079140045 FYZVUQRETQKSBH-GFCCVEGCSA-N 317.389 3.300 10 10 DGCE CC(C)CNCc1cnc(Sc2ncc3n2CCC3)s1 2176930952 PEFINPTVPSJZJA-UHFFFAOYSA-N 308.476 3.183 10 10 DGCE Cc1ccnc(CNCc2cccc(Br)c2O)c1C 2088893564 OLDDZVLWZSPNIZ-UHFFFAOYSA-N 321.218 3.456 10 10 DGCE CSc1ncc(CNCc2ccc([N+](=O)[O-])c(F)c2)s1 2208617608 HYJFEHHVUPPVOS-UHFFFAOYSA-N 313.379 3.202 10 10 DGCE CCC[C@H]1C[C@H]1NCc1c(Br)ccc(OC)c1O 2220463210 XYBDUAPOSCLYKW-JOYOIKCWSA-N 314.223 3.442 10 10 DGCE CSc1ncc(Cn2cncc2[C@@H]2CC(C)(C)CN2)s1 2284715495 WKOYNGILHHNFBF-NSHDSACASA-N 308.476 3.170 10 10 DGCE COc1cccc(CNC(=O)CC=Cc2cccc(F)c2)c1O 2301549658 KRKRBFULWQPAKP-UHFFFAOYSA-N 315.344 3.260 10 10 DGCE COC(=O)Cc1nc2cc(C)ccn2c1N=Nc1ccccc1O 2320768371 CFRQCYOEXRFGMN-UHFFFAOYSA-N 324.340 3.479 10 10 DGCE Cc1ccc(CNC(=O)C2C[C@@H]3C[C@H]3C2)c(O)c1Br 2352628032 SGDRSDQQJOTDGW-QWRGUYRKSA-N 324.218 3.125 10 10 DGCE Cc1ccc(CNC(=O)[C@H]2C[C@@H]2C2CC2)c(O)c1Br 2352942570 HDPJHMDIRYGYSK-NEPJUHHUSA-N 324.218 3.125 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)c2ccc(C)o2)c1 103511258 FKUAAHTYMZRMDE-NWDGAFQWSA-N 318.373 3.424 10 10 DGCE COc1sc2c(I)cccc2c1O 307525281 HKNMPLGUGJWILP-UHFFFAOYSA-N 306.124 3.220 10 10 DGCE COc1ccc(CN[C@H](C)[C@@H](c2ccccc2)N(C)C)c(O)c1 185678762 FIBZDJDFLSYGKT-KUHUBIRLSA-N 314.429 3.182 10 10 DGCE C[C@H](N[C@@H]1CCC[C@@H]1O)c1ccc(N2CCCCC2)c(F)c1 181063583 TWKLSUQHWPOYKN-XCRHUMRWSA-N 306.425 3.380 10 10 DGCE COc1ccc2c(c1)CCN2Cc1ccc(N2CCOCC2)cc1 127690171 LAFZJSYTCYISCY-UHFFFAOYSA-N 324.424 3.095 10 10 DGCE CN1CCc2cc([C@H](CN)Nc3ccc(Cl)cc3)ccc21 87914114 SHHBFZLQDLIUJG-INIZCTEOSA-N 301.821 3.444 10 10 DGCE COCCCN(C)C(=O)N(Cc1ccccc1O)C1CCCC1 190697185 CFNMMUPVNRJSDM-UHFFFAOYSA-N 320.433 3.225 10 10 DGCE COc1ccc(CN(C)Cc2cccc(N(C)C)c2)c(O)c1 93863624 KPEBHGHUMPTSQZ-UHFFFAOYSA-N 300.402 3.099 10 10 DGCE COc1ccc(CN(C)CCc2ccccc2OC)c(O)c1 93105352 YNWYGYONRHKQOU-UHFFFAOYSA-N 301.386 3.084 10 10 DGCE C[C@@H](Cn1cncn1)N[C@@H](C)c1ccc(N2CCCCC2)cc1 269068950 ZRHJKMYDBOGDDV-HOTGVXAUSA-N 313.449 3.008 10 10 DGCE C[C@H](N[C@H](C)[C@@H](O)c1ccccc1)c1cc(F)cc(F)c1O 808721085 HORBHWMZJKWCLH-LYOVBCGYSA-N 307.340 3.443 10 10 DGCE COc1cc(Cl)cc(CN[C@H]2C[C@H]3[C@@H](C2)C3(F)F)c1O 2164002413 UUMVIMHDAACCND-RTCCRHLQSA-N 303.736 3.188 10 10 DGCE Cc1cc(Cl)cc([C@@H](C)N[C@@H]2CNCCC2(F)F)c1O 817981878 WNAWLRVPZWIJMZ-BXKDBHETSA-N 304.768 3.002 10 10 DGCE COc1c([N+](=O)[O-])ccc(CN(CCC2CC2)CC2CC2)c1O 827729481 VNIAJHPFEDMWNE-UHFFFAOYSA-N 320.389 3.321 10 10 DGCE CN1CCCc2cc(CNC(=O)N[C@H]3C[C@H]4CC[C@H]3C4)ccc21 738992003 XOPWSSSSQIIWJG-QRTARXTBSA-N 313.445 3.057 10 10 DGCE CCC(C)(C)C(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 900123540 FCZSKUJLGBZXJY-UHFFFAOYSA-N 316.445 3.249 10 10 DGCE COC(=O)[C@H]1CCCN(Cc2cc(C)cc(C(C)(C)C)c2O)C1 738062286 WSQXUPDLJFSJIE-AWEZNQCLSA-N 319.445 3.383 10 10 DGCE CCC[C@@]1(CO)CCN(C/C=C/c2ccc(N(C)C)cc2)C1 835051876 AWHUXQVCZUGKRA-ZMBJWTFHSA-N 302.462 3.250 10 10 DGCE Cc1cc(O)c(CN2CCC[C@@H](c3cc[nH]n3)C2)c(Cl)c1 840909885 AZFIWTBCRXQWOS-GFCCVEGCSA-N 305.809 3.457 10 10 DGCE Clc1sccc1COc1ccc(N2CCNCC2)cc1 687987444 NPFRPXVTNPFGOF-UHFFFAOYSA-N 308.834 3.390 10 10 DGCE COCC1(CN[C@@H](C)c2cc(Br)ccc2O)CC1 848561222 REGAFOFZRFMSSH-JTQLQIEISA-N 314.223 3.232 10 10 DGCE CCN(CC)c1ccc(CN[C@@H]2COC3(CCC3)C2)cc1F 850368126 UVCPRGGFMNBGSP-HNNXBMFYSA-N 306.425 3.473 10 10 DGCE C[C@@H](NC(=O)NC[C@]1(C)CC1(F)F)c1ccc(N(C)C)cc1 852261264 OMWUCOZJVZUHJI-ABAIWWIYSA-N 311.376 3.158 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@H]3CCc4cccc(O)c43)C2)cc1 850486509 IFHIQMORYNPHCY-QAPCUYQASA-N 324.424 3.257 10 10 DGCE Nc1ccc(C[C@H](O)Cc2ccsc2Br)cc1 696542601 FXANSWBZKMCNAO-LBPRGKRZSA-N 312.232 3.239 10 10 DGCE CC(C)(C)OCCCC(=O)NCc1ccc2cccnc2c1O 862026569 STMGTVQFQKCBDE-UHFFFAOYSA-N 316.401 3.152 10 10 DGCE CC(C)(C)CNCc1ccc(N2CCN(CC3CC3)CC2)cc1 768670915 SNQRWVFNBZUSJD-UHFFFAOYSA-N 315.505 3.354 10 10 DGCE Cc1cnc(CN(Cc2ccco2)Cc2ccccc2O)nc1 760858165 YTKJJGRWIKXLNH-UHFFFAOYSA-N 309.369 3.286 10 10 DGCE C[C@@H](CC(=O)NCc1ccc2c(c1)CCCN2C)C(F)(F)F 1118811694 GSOPRPDBSMFUTJ-NSHDSACASA-N 314.351 3.274 10 10 DGCE O=[N+]([O-])c1cc(CNCC2CSC2)ccc1N1CCCCC1 895422432 DFXJFXNGVYSYCL-UHFFFAOYSA-N 321.446 3.038 10 10 DGCE CCc1cccc(CNC[C@@H]2CC[C@]3(CO[C@H](C)[C@@H]3C)O2)c1O 895823272 ZAVIUZGRQWCSMA-BDEJMISXSA-N 319.445 3.017 10 10 DGCE COc1cccc(CNC(=O)[C@@H]2[C@@H](C)[C@@H]2c2ccccc2)c1O 797744978 UCKHBWKEUNATNY-JCURWCKSSA-N 311.381 3.067 10 10 DGCE Cc1ccc([C@H](C)N[C@H]2[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c(O)c1 398347417 XVWSTDGYVPZFAP-XJRBWHPUSA-N 322.452 3.482 10 10 DGCE CCc1cccc(CN[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)c1O 691522011 JOVAIUAMLONVQO-STQMWFEESA-N 322.449 3.346 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)[C@@H]1COc2ccccc21 1304089677 GHHHDNTXVWPTLU-QGZVFWFLSA-N 319.360 3.338 10 10 DGCE O=C(c1cc(Cl)nc(Cl)c1)N1Cc2cccc(O)c2C1 1152565313 KRIJNYUPHGMZLE-UHFFFAOYSA-N 309.152 3.250 10 10 DGCE CNCc1ccc(N2CC[C@@H](P(C)(C)=O)C2)c(Cl)c1 2125222238 FOOLOYLEBFCFHZ-GFCCVEGCSA-N 300.770 3.261 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN2C(C)C)cc1 1354540337 CERRPDZUFKLFTR-GOSISDBHSA-N 317.477 3.022 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCCN(S(=O)(=O)c2ccc(Cl)o2)C1 1912183573 QXGXKXWIAKEDST-SECBINFHSA-N 318.786 3.034 10 10 DGCE [N-]=[N+]=N[C@@H]1CCN(C(=O)c2csc(-c3ccsc3)n2)C1 1912203648 RQHFIDHCYIMDDO-SECBINFHSA-N 305.388 3.396 10 10 DGCE COc1ccc(CN[C@H](CCNC(=O)C(C)C)C(C)C)cc1C 1506980903 FEKSHMHGUZDQFS-QGZVFWFLSA-N 320.477 3.280 10 10 DGCE CC1(C)CCC[C@@H]1[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1469337976 JHYRXBFCNKIVTO-LSDHHAIUSA-N 317.429 3.315 10 10 DGCE CCN(C)c1ccc(CN[C@@H](CO)c2cc(F)ccc2F)cc1 1620669714 YEFBBBRANCXOHB-SFHVURJKSA-N 320.383 3.244 10 10 DGCE COc1c(F)cc(NC(=O)c2cc(O)cs2)c(OC)c1F 1637005451 MCMMLLVTJVNGKO-UHFFFAOYSA-N 315.297 3.001 10 10 DGCE C[C@H](C(=O)NCc1ccc(O)c(O)c1)c1ccc(Cl)cc1 1635958859 BCEZTVACEAZASN-JTQLQIEISA-N 305.761 3.171 10 10 DGCE CC[C@@H]([C@H](NC)c1ccccc1O)N(C)C(=O)OC(C)(C)C 1928472717 SZKNQUPXYLPJQR-DZGCQCFKSA-N 308.422 3.298 10 10 DGCE COc1ccc(CNCC[C@H](C)NC(=O)[C@H](C)C2CC2)cc1C 1668015043 DWQCRWWZSZCTPG-LSDHHAIUSA-N 318.461 3.034 10 10 DGCE CC(C)[C@@H]1C[C@H]1CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 1686173375 HGUQCNBFCQFVSL-KMFMINBZSA-N 303.450 3.405 10 10 DGCE O=C1/C(=C/c2ccco2)SC(=S)N1C(=O)c1ccccc1 6251983 CTXYZPKTUCDFME-XFXZXTDPSA-N 315.375 3.321 10 10 DGCE CC(=O)N(c1ccc2c(c1)C(=O)c1ccccc1C2=O)C(C)C 1859892010 STVZWONIBAZJCB-UHFFFAOYSA-N 307.349 3.223 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CN(CCN=[N+]=[N-])C2(CCCC2)C1 1962302807 CGDAVLOZQCMVRH-LBPRGKRZSA-N 309.414 3.209 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H](N(CCN=[N+]=[N-])C2CC2)C1 1962303913 JVNKSTQRZIMBKM-ZDUSSCGKSA-N 309.414 3.161 10 10 DGCE C[C@H]1CCS[C@H]1CNCc1cc(Br)ccc1O 1945606861 CGEKWPMWCHQPKZ-ZANVPECISA-N 316.264 3.386 10 10 DGCE CC1(C)[C@@H](O)C[C@H]1CNCc1cc(Cl)cc(Cl)c1O 1966075198 VCFAJLZIDQKPDQ-CABZTGNLSA-N 304.217 3.196 10 10 DGCE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](C2)N1CCc1ccc(N)cc1 1977921531 WIOUOSQVQYZXKA-HOTGVXAUSA-N 317.433 3.200 10 10 DGCE CN(CC(C)(C)CN)c1ccc(CNC(=O)OC(C)(C)C)cc1 1977911336 OOVUIDGRFQJXPQ-UHFFFAOYSA-N 321.465 3.132 10 10 DGCE CN[C@H]1CCc2cc(N(Cc3ccccc3)C[C@@H](C)O)ccc21 1986605729 CPOLJBFUNCDJJE-QRWLVFNGSA-N 310.441 3.281 10 10 DGCE C[C@@H](F)[C@@H]1CCCN1c1ccc(CO)cc1Br 2010503022 ZGBIZGMZTUKTSX-SKDRFNHKSA-N 302.187 3.268 10 10 DGCE CNCc1ccc(N(C)CC2(Br)CC2)cc1Cl 2020225650 VUKCDQHSLRRXBB-UHFFFAOYSA-N 317.658 3.423 10 10 DGCE CC1=C(Br)CN(c2c(F)cc(CN)cc2F)CC1 2034763319 HMKMMVOGNAXCIN-UHFFFAOYSA-N 317.177 3.303 10 10 DGCE CC[C@H]1CN(c2ccc(OC(F)(F)F)c(Cl)c2)CCN1 401296223 OIBYKRJTCYCVDI-VIFPVBQESA-N 308.731 3.427 10 10 DGCE CN[C@@H](c1ccc2c(c1)CCCN2C)c1cc(Cl)ns1 2167194832 PLXORUMAGPTKMB-HNNXBMFYSA-N 307.850 3.488 10 10 DGCE C[C@H](c1ccc(F)cc1O)n1nc(C2CCCC2)cc1CO 2070177385 XNDSJIZGDXTMHQ-LLVKDONJSA-N 304.365 3.487 10 10 DGCE Cc1ccc(Cn2[nH]c(=N)c(Cl)c2C(F)(F)F)c(O)c1 2079171740 CFPWPNNMDZXZSH-UHFFFAOYSA-N 305.687 3.030 10 10 DGCE CCc1nn([C@H](CC)c2cc(C)c(C)cc2O)c(N)c1C=O 2079953124 SEOVZSJOFUZRSS-OAHLLOKOSA-N 301.390 3.162 10 10 DGCE C[C@]12CN(c3cc(Cl)c(CN)cc3F)CC[C@H]1C2(F)F 2187992495 GWMZFAQVDGFVFJ-OLZOCXBDSA-N 304.743 3.419 10 10 DGCE CNCc1ccc(N(C)Cc2cc(Br)co2)cc1 2050628457 HPIONHRQRUFLAA-UHFFFAOYSA-N 309.207 3.398 10 10 DGCE CC[C@H](N[C@H]1CC[C@H](O)C1)c1cc(Br)ccc1O 2057788488 AJPGDEMTDHVSPF-GVXVVHGQSA-N 314.223 3.109 10 10 DGCE C[C@H](O)c1ccc(N2C[C@@H](F)C[C@H](F)C2)cc1Br 2062395797 CYFZIGGNVLXEJJ-GUBZILKMSA-N 320.177 3.389 10 10 DGCE C[C@H](O)CN(Cc1ccccc1)c1ccc2c(c1)OC(F)(F)O2 2210829587 LVSSNGABRQTPAG-LBPRGKRZSA-N 321.323 3.396 10 10 DGCE CCn1ncc(Br)c1COc1ccc(N(C)C)cc1 2229386409 IEQIECXBQIJQRV-UHFFFAOYSA-N 324.222 3.311 10 10 DGCE CC(C)n1cc(NCc2ccc(N)cc2)c(Br)n1 2254442825 IRQAZTBOJABYKD-UHFFFAOYSA-N 309.211 3.421 10 10 DGCE O=C1C(=Cc2cccnc2)SC(=S)N1c1ccc(O)cc1 2296136041 OAQJYNDTHPOIEH-UHFFFAOYSA-N 314.391 3.193 10 10 DGCE OC[C@@]1(NCc2cc(Cl)cc(Cl)c2O)C[C@H]2CC[C@H]1C2 2283852045 BVFGQFZOWORTAS-ZSGNIPIJSA-N 316.228 3.340 10 10 DGCE CCc1nsc(CN(C)c2ccc([C@@H](C)N)c(Cl)c2)n1 2288838082 XEKXVMURWJLAPV-SECBINFHSA-N 310.854 3.410 10 10 DGCE CCN1C(=O)C(=CC2=Cc3ccccc3OC2)SC1=S 2296712182 HJFOKYACRIHKSC-UHFFFAOYSA-N 303.408 3.227 10 10 DGCE CCC1=NN(CC(C)C)C(=O)C1=Cc1cccc(OC)c1O 2332099563 GRPKCZWCHIDYSU-UHFFFAOYSA-N 302.374 3.048 10 10 DGCE CCNCc1ccc(N2C[C@@H]3C[C@H]2[C@@H]2C[C@H]32)c(Br)c1 2329270793 JBPUXCZDSHIQKX-VLXAULBPSA-N 321.262 3.403 10 10 DGCE C[C@H](N[C@@H](CC(=O)O)c1cccs1)c1ccc(F)cc1O 62747414 YWFKOKZJJMWMEO-CABZTGNLSA-N 309.362 3.459 10 10 DGCE CCN(CC)c1ccc(CNC(=O)Nc2cc(C)no2)cc1F 66906893 SXECFRDEOFYRSF-UHFFFAOYSA-N 320.368 3.290 10 10 DGCE C[C@@H](CC1CC1)N[C@@H](C)c1ccc(N2CCC(O)CC2)cc1 164278897 PDGASQYPRLIYFD-GJZGRUSLSA-N 302.462 3.487 10 10 DGCE Cc1noc([C@H](N[C@@H](C)c2ccc(N(C)C)cc2)C(C)C)n1 167966999 HNJQVNIDPZSMCI-BLLLJJGKSA-N 302.422 3.492 10 10 DGCE CCN(C(=O)OC(C)(C)C)[C@H]1CCN(c2ccc(N)cc2)C1 169114675 JBNPTOOKGHAZQI-HNNXBMFYSA-N 305.422 3.105 10 10 DGCE C[C@H](NCCCNC(=O)OC(C)(C)C)c1ccc(F)cc1O 185340512 BYCUHZISWLRGPX-NSHDSACASA-N 312.385 3.097 10 10 DGCE COc1ccc(O)c([C@@H](C)NC[C@H]2CCCN2CC(C)C)c1 186162460 VKWXPMNWZBHZGI-HUUCEWRRSA-N 306.450 3.172 10 10 DGCE CCN[C@H]1C(=O)Nc2cc(N(C)[C@H](C)C3CC3)c(Cl)cc21 252593588 FWHIYJORPBAXNI-RFAUZJTJSA-N 307.825 3.177 10 10 DGCE Nc1nn(-c2ccccc2)c(N)c1N=Nc1ccc2c(c1)OCO2 252636754 XMHTUTLCTOYCSL-UHFFFAOYSA-N 322.328 3.181 10 10 DGCE aggregator CCOc1cccc(CN2CC[C@H](C(C)(C)C)[C@H](O)C2)c1O 272370536 BMCROUYQJYMNEL-LSDHHAIUSA-N 307.434 3.020 10 10 DGCE CC[C@@H](C)N(CCO)c1ccc([C@H](C)N)cc1Br 310776892 NYAHVBNAFSILHQ-MNOVXSKESA-N 315.255 3.066 10 10 DGCE OCCc1cccc(NCc2cc(Br)ccc2O)c1 313158839 IOLCSHCKALIWOL-UHFFFAOYSA-N 322.202 3.302 10 10 DGCE CC(C)NCc1ccc(N2C[C@@H]3C[C@H]3C2)cc1Br 379551680 QXCLFFYFKGBZDT-STQMWFEESA-N 309.251 3.403 10 10 DGCE COCCN(Cc1ccccc1)c1ccc([C@@H](C)N)c(O)c1 384387201 QLPROIDSMLQBID-CQSZACIVSA-N 300.402 3.065 10 10 DGCE CCN(c1ccc([C@H](C)N)c(Br)c1)C(C)(C)CO 688309721 CXTICWADIZIUOM-JTQLQIEISA-N 315.255 3.066 10 10 DGCE O=C(O)/C=C/c1ccc(N2CC[C@@H]3C[C@@H]32)c(Br)c1 707062595 RPNFKNYDZRQJED-YEGYTEFZSA-N 308.175 3.146 10 10 DGCE Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)c(C)n1-c1ccccn1 737869707 HZEAMXKBWRYHHW-YQQAZPJKSA-N 309.413 3.408 10 10 DGCE COc1cccc(CNC(=S)Nc2cc(C)ccc2F)n1 748044456 BKHKJIGPVPRHRO-UHFFFAOYSA-N 305.378 3.024 10 10 DGCE COc1cc(C)cc(CN(C)[C@@H]2C[C@](C)(OC)C2(C)C)c1O 754736875 ONVIWAIOOLOVSE-QAPCUYQASA-N 307.434 3.345 10 10 DGCE CC(C)(C)c1cc(O)c(O)c(CN2CCC[C@H]3COCC[C@@H]32)c1 756887128 MWMNGURSNYHQMX-BBRMVZONSA-N 319.445 3.396 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](C)c1cn[nH]c1 757583779 XTSGYNJFYXWDER-LBPRGKRZSA-N 314.414 3.370 10 10 DGCE C[C@@H]1Cc2ccccc2[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 779518032 VHIIDCLBKTZIFD-STWKIGSYSA-N 309.365 3.161 10 10 DGCE O=C(NCCCSc1nccs1)c1csc(Cl)n1 781929523 LQVDSZIOLLBATG-UHFFFAOYSA-N 319.864 3.165 10 10 DGCE CCN(CC)c1ccc(CNC2(CC(=O)OC)CCCC2)cc1 793231395 MSIGNGQOMYXZAK-UHFFFAOYSA-N 318.461 3.498 10 10 DGCE C[C@@H]1CC[C@@H]1NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 796526966 UKYDGPCYHUJSCB-HIFRSBDPSA-N 303.406 3.473 10 10 DGCE CC1=C[C@@H](C)CN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 797518581 CJMRGILIJRFJLL-UKRRQHHQSA-N 301.434 3.421 10 10 DGCE CCN1CC[C@H](N(C)Cc2cc(Cl)c(F)cc2O)[C@@H](C)C1 816514725 FXVVOTZUBYVTHP-NHYWBVRUSA-N 314.832 3.347 10 10 DGCE COCC[C@H](C)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C 825178570 MXZPHFQJSSOSEE-AWEZNQCLSA-N 314.429 3.178 10 10 DGCE CN(C)c1ccc(/C=C\CN2CC[C@H]([C@@H]3CCOC3)C2)cc1 835029679 VWCZYYSPNWGCKM-JWRSSPFQSA-N 300.446 3.124 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1 835040093 OAVBVNXYSSCFAL-CPRFOPHYSA-N 300.446 3.169 10 10 DGCE CCN(CC)c1ccc(CNC(=O)NCC[C@@H](C)F)cc1F 836291839 XRADCVWDOAAUGO-GFCCVEGCSA-N 313.392 3.219 10 10 DGCE C[C@@H](NCCC1(CN)CC1)c1ccc(N2CCCCC2)cc1 844923072 PTRXNDJEGFHQAY-MRXNPFEDSA-N 301.478 3.457 10 10 DGCE CC[C@@H](NCc1cc(F)cc(C(C)=O)c1O)[C@H]1CCCCO1 847074711 BTWLJOFSPHMYDR-HZPDHXFCSA-N 309.381 3.171 10 10 DGCE Oc1cc2c(cc1CN1CCOC(C3CC3)(C3CC3)C1)CCC2 853582269 INVFPSGTCPHSJX-UHFFFAOYSA-N 313.441 3.272 10 10 DGCE Oc1cccc(Br)c1CNCC[C@H]1CCCOC1 858207724 VDZMNCRDWGXRML-LLVKDONJSA-N 314.223 3.061 10 10 DGCE CCN(CC)c1ccc(CN[C@H]2CCNC23CCC3)cc1F 863483288 USAXMLZRMMLMIS-KRWDZBQOSA-N 305.441 3.046 10 10 DGCE COc1ccc([C@@H]2CCN(C(=O)c3cc(O)cs3)C2)cc1F 863695156 YTXNJJVUPWAAFJ-LLVKDONJSA-N 321.373 3.231 10 10 DGCE CC[C@H]1CCCCN1CCNC(=O)N[C@@H](C)c1ccccc1O 868249036 IJHRRSHCKNNHLV-GJZGRUSLSA-N 319.449 3.017 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2C(=O)C1=CCCCCC1 1293954872 ZFVBTJKKAVDMPN-UHFFFAOYSA-N 300.402 3.369 10 10 DGCE O=C(NCc1cc(O)ccc1O)c1cc2ccc(Cl)cc2[nH]1 1471661287 LZTILQFFDLCPML-UHFFFAOYSA-N 316.744 3.163 10 10 DGCE C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1cc2cnccc2o1 1558067999 JSWSFBSVLKVIRQ-MZBZXASESA-N 324.336 3.130 10 10 DGCE C[C@H](NC(=O)c1ccc(Cl)cc1N)c1ccc(N(C)C)cc1 1616834965 PEBZLQHFFOGURB-NSHDSACASA-N 317.820 3.479 10 10 DGCE CSc1ccccc1[C@@H](C)NC(=O)Cc1ccc(O)c(O)c1 1634970892 SIADDSPDFHXVEV-LLVKDONJSA-N 317.410 3.240 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)Nc1nc2cccc(F)c2o1 1642559208 FKHYCHPYLCOZRL-SECBINFHSA-N 302.305 3.421 10 10 DGCE Cc1c(C(=O)NCc2ccccn2)n(C)c2cc(Cl)ccc12 1858178042 HOKUINXGSQXING-UHFFFAOYSA-N 313.788 3.465 10 10 DGCE Cn1cccc1/C=C1\C(=O)N(c2ccccc2)N=C1C(F)(F)F 1865670449 AEZSBJVGAZPWNZ-RAXLEYEMSA-N 319.286 3.374 10 10 DGCE CCCC1=NN(CC)C(=O)/C1=C/c1ccc(OC)c(OC)c1 1865677283 BDDDTYDFPRUFEC-JLHYYAGUSA-N 302.374 3.105 10 10 DGCE C[C@@H](N[C@@H](CCO)COCc1ccccc1)c1ccccc1O 1902792032 FJQCUWPPCDWOSL-WBVHZDCISA-N 315.413 3.011 10 10 DGCE [N-]=[N+]=NCCCCS(=O)(=O)c1cccc(Br)c1 1912170507 XRXPFAXBVDOLOC-UHFFFAOYSA-N 318.196 3.313 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]([C@@H](N)c2ccccc2O)C1 1928471551 LAOIKNYCCDVNFC-YWPYICTPSA-N 306.406 3.085 10 10 DGCE CN[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccccc1O 1936969400 CDAYBWSWXPIRTI-DZGCQCFKSA-N 320.433 3.442 10 10 DGCE [N-]=[N+]=N[C@@H](CO)c1cc(Cl)ccc1I 1951354984 UOEXOGWPIWEFSM-QMMMGPOBSA-N 323.521 3.288 10 10 DGCE CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)c1ccc(N(C)C)cc1 1977937906 FNWQIKLCNKCIOH-HOTGVXAUSA-N 322.449 3.479 10 10 DGCE CN(C)c1ccc([C@H](N)C(C)(C)CNC(=O)OC(C)(C)C)cc1 1977945224 MMAWPFFJVCRMHD-HNNXBMFYSA-N 321.465 3.303 10 10 DGCE Nc1ccc(CN2CC3(CC(OCc4ccccc4)C3)C2)cc1 1978833696 GWAYFZWAGYYSMP-UHFFFAOYSA-N 308.425 3.450 10 10 DGCE OCc1ccc(N2[C@H]3CC[C@H]2CC(F)C3)cc1Br 2072028182 ZGFDRAZQFWECCL-RYUDHWBXSA-N 314.198 3.411 10 10 DGCE C[C@@H]1C[C@@]1(F)CN(C)c1cc(Br)c(CN)cc1F 2085435338 KNSJEADQESCXTA-AMIZOPFISA-N 319.193 3.231 10 10 DGCE N[C@@H](c1ccccc1O)[C@@H](O)c1csc(C(F)(F)F)c1 2148160864 DUSIBGULONIOEW-RYUDHWBXSA-N 303.305 3.206 10 10 DGCE CCC[C@@]1(O)CCCN(c2cc(Cl)c(CN)cc2F)C1 2177381372 MIGFIQVOIKZBNE-OAHLLOKOSA-N 300.805 3.069 10 10 DGCE C[C@H](O)c1ccc(N(C)[C@@H](CCO)C(F)(F)F)c(Cl)c1 2178512622 WZDZNTZJCGTUMR-UFBFGSQYSA-N 311.731 3.143 10 10 DGCE Cc1cc(Br)c(C(=O)N(C)CCN=[N+]=[N-])s1 2211923913 PCOJUJJXJORVHF-UHFFFAOYSA-N 303.185 3.201 10 10 DGCE CNCc1ccc(N(C)C2CSCCSC2)c(Cl)c1 2228755426 AHWZJRHGXATRSX-UHFFFAOYSA-N 316.923 3.344 10 10 DGCE C[C@@H](NC[C@@H]1C[C@H]1NC(=O)OC(C)(C)C)c1cc(F)ccc1O 2296808294 OTYUOXGFWZZVHQ-UHIISALHSA-N 324.396 3.095 10 10 DGCE CCCN(CCOC)Cc1ccc(C)c(Br)c1O 2327574852 QNIRWJZOBBNLQG-UHFFFAOYSA-N 316.239 3.322 10 10 DGCE CCN1N=C(c2ccccc2)C(=Cc2cccc(OC)c2O)C1=O 2332098006 NPSWJODSGOQTTC-UHFFFAOYSA-N 322.364 3.051 10 10 DGCE COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C/c1ccc(Cl)cc1 100276270 GOVHUDKLMKJBOZ-NTEUORMPSA-N 319.788 3.421 10 10 DGCE CC1CCN(c2cc(Br)c(CN)cc2F)CC1 310404640 KBZHSVRYLCDALB-UHFFFAOYSA-N 301.203 3.283 10 10 DGCE CN1Cc2cc(NCc3cc(F)ccc3O)ccc2NC1=O 187470087 OYNATSOZGMMSTK-UHFFFAOYSA-N 301.321 3.121 10 10 DGCE CCCNCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(OCC)c1 212714930 GLLJSRKMLYVQPD-HUUCEWRRSA-N 306.450 3.199 10 10 DGCE Nc1ccc(Oc2cccc([N+](=O)[O-])c2Br)nc1 236362054 FEHPKBLJCKPHJY-UHFFFAOYSA-N 310.107 3.127 10 10 DGCE CO[C@H](C)c1cccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1 180742726 MQBAAZPIPBNNLK-YPUOHESYSA-N 313.353 3.457 10 10 DGCE COc1ccc(CNC(C)C)cc1CSc1cnn(C)c1 81893313 NYQSAPKYKCRNRC-UHFFFAOYSA-N 305.447 3.219 10 10 DGCE C[C@H](NCC[C@@H](C)NC(=O)OC(C)(C)C)c1cc(O)ccc1O 227670859 MCRMEFHXKAOSLT-NEPJUHHUSA-N 324.421 3.052 10 10 DGCE CC(C)c1ccc(N(C)C(=O)c2cnoc2-c2cnn(C)c2)cc1 194366986 KIZVUXUUCZPNMG-UHFFFAOYSA-N 324.384 3.475 10 10 DGCE CCN(CC(C)(C)O)c1ccc([C@H](C)N)cc1Br 92968526 WJQTTYRWTAQSKZ-JTQLQIEISA-N 315.255 3.066 10 10 DGCE [N-]=[N+]=NCCCN[C@@H](C(=O)O)c1c(Cl)cccc1Cl 90259112 NXFCJWDWLYOMDE-SNVBAGLBSA-N 303.149 3.409 10 10 DGCE Cc1ccc(O)c(CN2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1 246086629 IHJVOQNQAQSWPK-MAUKXSAKSA-N 300.446 3.149 10 10 DGCE Cc1cc(C)c([C@H](C)NC[C@@H]2c3ccccc3C(=O)N2C)c(O)c1 528003519 PLVUGWJDXCACJQ-WMLDXEAASA-N 324.424 3.487 10 10 DGCE Cc1nc([C@H]2CCCN(Cc3cc(Cl)cc(C)c3O)C2)n[nH]1 271789003 IUBMFHKVCBCKDT-LBPRGKRZSA-N 320.824 3.160 10 10 DGCE CN(C)c1ccc([C@H](N)Cc2coc(Br)c2)cc1 378969810 FULUJFRMTGKEPR-CYBMUJFWSA-N 309.207 3.351 10 10 DGCE Cc1cc(CN2CC[C@H](C(=O)OC(C)(C)C)C2)ccc1N(C)C 815059633 YROVPNPACIJMHZ-INIZCTEOSA-N 318.461 3.225 10 10 DGCE Cc1ccc(O)c(CN2CC(O)(c3ccc(Cl)cc3)C2)c1 811509045 LXYNJHUNSYASTO-UHFFFAOYSA-N 303.789 3.057 10 10 DGCE CC(C)(C)OC(=O)C1(CNCc2cc(F)ccc2O)CCC1 827757803 NGDWDBVZQNKTMM-UHFFFAOYSA-N 309.381 3.133 10 10 DGCE CCCN(c1ccc(CN)cc1)[C@@H](COC)CC1CCOCC1 825710692 YEXLBFMBDSTZQT-LJQANCHMSA-N 320.477 3.193 10 10 DGCE CCc1cccc(CN2Cc3cnn(C)c3CC(C)(C)C2)c1O 828013844 LYKUYUZPDOGQLQ-UHFFFAOYSA-N 313.445 3.273 10 10 DGCE CCNC(=O)CN1CCCc2cc(OCc3ccccc3)ccc21 734636832 BULMKICTHWUMSQ-UHFFFAOYSA-N 324.424 3.154 10 10 DGCE CCO[C@@H]1CCC[C@@H](N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1 903047981 VGLKTBFORCFLLY-GPMSIDNRSA-N 318.461 3.211 10 10 DGCE NCc1ccc2c(c1)CCCN2C[C@@H]1CC[C@H](C(F)(F)F)O1 903423529 WAKQIVJRRIGZSI-DZGCQCFKSA-N 314.351 3.008 10 10 DGCE CN(C)c1ccc(/C=C/CNCC[C@@H]2C[C@H]3CC[C@H]2O3)cc1 839163706 JVTDDTSXDJSFIZ-LLHCEFMISA-N 300.446 3.313 10 10 DGCE c1cc(N2CCCC2)ccc1CN[C@H]1CCCN2CCCC[C@H]12 848575881 XMVZTKJLJUCHBS-VQTJNVASSA-N 313.489 3.393 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)NCC[C@H]1CCCC1(F)F 914417950 YCBHWUCKZJFMGI-TXNVCOODSA-N 311.328 3.053 10 10 DGCE O=C(O)[C@@]1(Sc2nccs2)CC[C@@H]1OCc1ccccc1 1893523596 UNKGHSQIDIGITA-SWLSCSKDSA-N 321.423 3.438 10 10 DGCE Cc1cccn2cc(CN3CCCc4cc(CN)ccc43)nc12 1328605671 BRVOKPRAIKWTHE-UHFFFAOYSA-N 306.413 3.054 10 10 DGCE CCOc1ccc(O)c(CN[C@@H](c2ccccc2)[C@@H](C)O)c1 850420598 PUCRBIPBKPZWFE-FZKQIMNGSA-N 301.386 3.003 10 10 DGCE CCOc1cccc(CN[C@H](c2ccccc2)[C@H](C)O)c1O 850421134 VWLXHRJKXVCUQT-GUYCJALGSA-N 301.386 3.003 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)NCCCCC2CC2)c1 869055564 TXECQQDJLQZIGW-GFCCVEGCSA-N 306.406 3.341 10 10 DGCE CC/C=C(/F)C(=O)NCc1cccc(Br)c1O 867831293 TWKULZRQUPFJCX-ONNFQVAWSA-N 302.143 3.034 10 10 DGCE C[C@@H]1C[C@H](N[C@@H](CO)c2ccsc2)c2c(O)ccc(F)c21 769990653 VUEFMRMRDPGDHF-ICCXJUOJSA-N 307.390 3.464 10 10 DGCE Oc1cc2c(cc1CN1CCC[C@@H]3COCC[C@@H]31)CCCC2 768462610 ANSFZJFHZJOIAK-AEFFLSMTSA-N 301.430 3.272 10 10 DGCE Cc1cccc(CN[C@H](C)c2cn(-c3ccccc3)nn2)c1O 776234562 SAZMQSUGSWZLPZ-CQSZACIVSA-N 308.385 3.132 10 10 DGCE CCC[C@@H]1COC[C@@H]1NCc1cc(Br)ccc1O 710999084 MGOULCXZKQLZSI-MFKMUULPSA-N 314.223 3.059 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1cnn(C2CC2)c1 1179032253 CMWYAFNXCWKAKL-UHFFFAOYSA-N 307.353 3.007 10 10 DGCE Cc1cc(CN2CCN(c3ccncc3)C[C@H]2C)ccc1N(C)C 1176280734 DXBONMRPYODMPN-QGZVFWFLSA-N 324.472 3.167 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)NC[C@@H]1C=CCC1 1246266473 NIIIYWCGTSRFEB-CYBMUJFWSA-N 300.402 3.036 10 10 DGCE O=C(NCc1c(O)cccc1O)c1ccc(Cl)cc1Cl 1178905746 SXSTZPFMKDMYIP-UHFFFAOYSA-N 312.152 3.335 10 10 DGCE C[C@@H]1C[C@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)[C@@H](C)O1 1351674692 XNOKYHPUIBQGOS-RKVPGOIHSA-N 316.445 3.059 10 10 DGCE CC[C@H]1CCOCCN1Cc1cc(Br)ccc1O 1913683118 UMWLPZZPBKDWMP-ZDUSSCGKSA-N 314.223 3.156 10 10 DGCE CC[C@H](O)CN(Cc1ccccc1)c1ccc([C@@H](C)O)c(O)c1 1915097693 YFDROWRKQZJSEB-PBHICJAKSA-N 315.413 3.223 10 10 DGCE c1cc2c(cc1CNC[C@@H]1COC3(CCCCC3)O1)CCCO2 1461376580 IZWZPYZWEQJBGL-QGZVFWFLSA-N 317.429 3.177 10 10 DGCE COc1ccc2cc(C(=O)N[C@H](C)c3ccccc3O)[nH]c2c1 1642824459 VXNOKAJUIAZCLW-LLVKDONJSA-N 310.353 3.373 10 10 DGCE C[C@H](CCC[C@@H](N)c1ccccc1O)NC(=O)OC(C)(C)C 1928481098 RBMVFVQJKFRKCZ-TZMCWYRMSA-N 308.422 3.476 10 10 DGCE CN(CC[C@H](O)c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C 1959566773 HEIAILUFZVDHQM-HNNXBMFYSA-N 308.422 3.043 10 10 DGCE O=C1N=C(Nc2cccc(O)c2)S/C1=C\c1ccccc1O 16904680 LHAMHVPFXJRXEE-ZSOIEALJSA-N 312.350 3.180 10 10 DGCE CCNCc1ccc(N2CCOC[C@H]2C)c(C(F)(F)F)c1 163674811 QHJPJDIARROMBW-LLVKDONJSA-N 302.340 3.040 10 10 DGCE C[C@@H](Oc1ccc(N)cc1)C(=O)Nc1cc(Cl)ccc1O 1860077676 CQKPAVMIMUUMIN-SECBINFHSA-N 306.749 3.034 10 10 DGCE CNCc1ccc(N(C)Cc2cccnc2)cc1Br 234408978 NHSSIIAXQBQIRV-UHFFFAOYSA-N 320.234 3.200 10 10 DGCE Cc1nc(NCCOc2ccc(N)cc2)ccc1Br 235947651 VDVBGGVRIDYGKY-UHFFFAOYSA-N 322.206 3.226 10 10 DGCE CN1CCc2cc([C@H](O)[C@@H](N)c3sccc3Cl)ccc21 2148558770 SMMSLGLHLYMNBG-KGLIPLIRSA-N 308.834 3.127 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](Nc3c(N)cccc3F)[C@H]2C1 1977664961 RKVDQGREALSLRF-COPLHBTASA-N 321.396 3.075 10 10 DGCE CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)c1ccc(N(C)C)cc1 1977957448 FNWQIKLCNKCIOH-HZPDHXFCSA-N 322.449 3.479 10 10 DGCE Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2Cl)cc1F 2145852174 UXODDIKWPFTIBO-UHFFFAOYSA-N 315.753 3.294 10 10 DGCE CN[C@@H](c1ccccc1O)[C@H]1C=CCCN1C(=O)OC(C)(C)C 1985687993 IFXSDHDWWKCHMF-ZBFHGGJFSA-N 318.417 3.218 10 10 DGCE CC(C)(C)OC(=O)NC1CC2(CC[C@@]2(N)c2ccccc2O)C1 1986333051 NFFKKPDOWGUSII-ZZHQXOFYSA-N 318.417 3.014 10 10 DGCE Cc1ccc(CN[C@]23C[C@@H]2CN(Cc2ccccc2)C3)c(O)c1 1994455847 CNECSZZLSOQOTR-QUCCMNQESA-N 308.425 3.065 10 10 DGCE COC[C@H](C)NC(=O)C=Cc1cc(C)n(-c2ccccc2)c1C 2040499418 ITCBRBLBSUUFOJ-AWEZNQCLSA-N 312.413 3.258 10 10 DGCE CCCNCc1cnc(Sc2nc(CC)ns2)s1 2037781896 XVHVFONALPYEJW-UHFFFAOYSA-N 300.478 3.208 10 10 DGCE Nc1ccc(CC[C@@H](O)c2ccc(Br)cn2)cc1 2039406204 YYFKYWMYURFFLO-CQSZACIVSA-N 307.191 3.093 10 10 DGCE CP1(=O)CCN(c2ccc(C=CC(=O)O)cc2Cl)CC1 2172000354 WSCMHZNINABPKW-UHFFFAOYSA-N 313.721 3.251 10 10 DGCE CCN(Cc1c(O)cccc1Br)[C@H]1CCCOC1 707131032 FXIJKPKIBHJGDP-NSHDSACASA-N 314.223 3.156 10 10 DGCE CC(C)C[C@@H]1COCCN1c1cc(Cl)c(CN)cc1F 2177381702 QBVPACFJDOMUCX-GFCCVEGCSA-N 300.805 3.189 10 10 DGCE O=S(=O)(CC1CCC1)Nc1cc(Cl)c(O)c(Cl)c1 379707768 UGZKVMJGOLNSDX-UHFFFAOYSA-N 310.202 3.241 10 10 DGCE CN[C@H](C)c1ccc(N2C[C@H](F)[C@H](F)C2)cc1Br 714740807 WDCVUAITJUAKNB-WQHBLYJGSA-N 319.193 3.226 10 10 DGCE COCCN(CCF)[C@H](C)c1cc(Br)ccc1O 697056874 VPSLYVTUXYTEDU-SNVBAGLBSA-N 320.202 3.134 10 10 DGCE CCNC(=O)c1cc(C(C)C)nn1[C@H](C)c1cc(C)ccc1O 2070165153 MPGAEHZAYAJNSW-CYBMUJFWSA-N 315.417 3.380 10 10 DGCE CCOC(=O)c1cnn([C@@H](C)c2ccc(C)cc2O)c1Cl 2070386850 WFECFMPDBVNVNJ-JTQLQIEISA-N 308.765 3.337 10 10 DGCE CCN[C@H](C)c1cnc(Sc2nc(CC)ns2)s1 2041813104 HHMWJWGGFAZQRN-SSDOTTSWSA-N 300.478 3.379 10 10 DGCE CNCc1ccc(N(C)CC2(F)CCC2)cc1Br 2057673033 TYRHPWINDRWWNF-UHFFFAOYSA-N 315.230 3.497 10 10 DGCE Nc1ccc(CCNc2ccc(Br)cc2N)cc1 2071654955 PQFPZROPVKWEGH-UHFFFAOYSA-N 306.207 3.268 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@]1(C)CCNCc1ccc(N)cc1 2210452273 VNDJYKNQHOUMBF-SFHVURJKSA-N 319.449 3.148 10 10 DGCE Cc1cc(Br)c([C@@H](NN)c2ccccc2O)s1 2215964190 VMKONXSNKBJVAR-NSHDSACASA-N 313.220 3.077 10 10 DGCE COc1cccc(CNCc2cnc(SC)s2)c1OC 2208441403 RWANDNUFFIUFKI-UHFFFAOYSA-N 310.444 3.172 10 10 DGCE CCc1nn(C)c(N(C)Cc2ccccc2O)c1Br 2226823984 QQMOJSRHLGSBIM-UHFFFAOYSA-N 324.222 3.087 10 10 DGCE COc1ccc(CNc2cc(Br)cnc2C)c(O)c1 2265223472 QMERPOMZLQIKPB-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE COc1c(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)csc1Cl 2268924671 XCVXEMINUXIOST-SSDOTTSWSA-N 300.771 3.183 10 10 DGCE CCS[C@@H]1CCCC[C@@H]1NC(=O)C=Cc1ccc(O)c(O)c1 2307989983 RMWRRTTUYUTRDN-XJKSGUPXSA-N 321.442 3.292 10 10 DGCE CC[C@H]1Cc2ccccc2CN1C(=O)C=Cc1ccc(O)c(O)c1 2309366554 AAIGUJGACKAVFZ-KRWDZBQOSA-N 323.392 3.475 10 10 DGCE Cc1cc(Br)c(CN2CCC[C@H](N=[N+]=[N-])C2)cn1 2315997242 FUWSLYWTBVQKJX-NSHDSACASA-N 310.199 3.427 10 10 DGCE CCC1=NN(c2ccc(OC)cc2)C(=O)C1=Cc1cccn1C 2332128813 GGBRZOGDYCEKRN-UHFFFAOYSA-N 309.369 3.230 10 10 DGCE CCc1ccc(/C=C2\SC(=S)N(CCCOC)C2=O)o1 177641219 JELOGHLZGYASNU-XFXZXTDPSA-N 311.428 3.080 10 10 DGCE C[C@H](N)c1ccc(N(C)[C@H]2CCN(Cc3ccccc3)C2)cc1 309730833 RRCUJGKWXMJNOY-JXFKEZNVSA-N 309.457 3.417 10 10 DGCE COCCN(c1ccc([C@H](C)N)cc1Br)C1CC1 61697143 KYRONJOLCFQDHY-JTQLQIEISA-N 313.239 3.084 10 10 DGCE CO[C@@H]1CCC[C@@H]1OC(=O)c1cc(C)n(-c2ccccn2)c1C 111972643 ACVRGJHQQWVLQI-CVEARBPZSA-N 314.385 3.213 10 10 DGCE CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1[C@H](CO)N=[N+]=[N-] 1951353904 ABDIXPBLIAZUCV-KBPBESRZSA-N 318.377 3.020 10 10 DGCE CCN[C@@H](C)c1ccc(N2CCOC[C@H](F)C2)c(Cl)c1 2361809307 VGZLUUMLBDOOQL-WCQYABFASA-N 300.805 3.185 10 10 DGCE C[C@H]1CC[C@H](C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)O1 124991522 UJLOEHSQSHMUJA-MAUKXSAKSA-N 316.445 3.203 10 10 DGCE C[C@@H](c1cc(O)ccc1O)N(CCCN)Cc1ccccc1 379451777 KYJZPNFRJJJKML-AWEZNQCLSA-N 300.402 3.010 10 10 DGCE C[C@H]1CN[C@H](C2CC2)CN1c1ccc(OC(F)(F)F)cc1 86178799 IYXSQZMYNAABIG-HZMBPMFUSA-N 300.324 3.162 10 10 DGCE Cc1ccc(Cl)cc1OC[C@H](O)COc1ccc(N)cc1 88729151 PGYGRCFEKRVKAT-CQSZACIVSA-N 307.777 3.049 10 10 DGCE COc1cccc2c1CCN(Cc1cc(F)ccc1O)CC2 194571230 RYEXDHCZNDWMFN-UHFFFAOYSA-N 301.361 3.141 10 10 DGCE Cc1ccnc(CNC(=S)Nc2cccc3cccnc23)c1 240619055 ABRQGUAOZZYKIR-UHFFFAOYSA-N 308.410 3.425 10 10 DGCE CCOc1ccc(O)c(CNC(C)(C)c2c(C)noc2C)c1 285354573 AWUOPWVCVAGNJF-UHFFFAOYSA-N 304.390 3.421 10 10 DGCE C=C/C(C)=C/CC(=O)NCc1cc(Br)ccc1O 804733320 OJOHWVCEMWGOOY-ONNFQVAWSA-N 310.191 3.293 10 10 DGCE COc1ccc(N2CC[C@H](CNc3ccnc(C4CC4)n3)C2)cc1 819936259 QQNGIHXAWBMHTR-CQSZACIVSA-N 324.428 3.301 10 10 DGCE C[C@@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)C1CC1 726083267 GEKWYQOWIYZTMV-CYBMUJFWSA-N 314.385 3.496 10 10 DGCE CNCc1ccc(N2CCS[C@H](C(F)(F)F)C2)cc1C 721390922 QXKJGDNXCSMACK-ZDUSSCGKSA-N 304.381 3.199 10 10 DGCE Cn1ncc(C2CCC2)c1CNCc1cccc(Cl)c1O 827401041 LGEWEURCEABWJI-UHFFFAOYSA-N 305.809 3.336 10 10 DGCE CCC1(CO)CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 835026520 UEQIBAHDMPVGQE-AATRIKPKSA-N 302.462 3.250 10 10 DGCE C/C(=C/c1cccnc1)C(=O)N1CCCN(C)c2ccccc21 846885044 MMIACPZKLBLLIC-SQFISAMPSA-N 307.397 3.358 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccccc2N)[C@@H]2C[C@@H]21 1894011434 SXOKUJOLLCHRSM-WHOFXGATSA-N 303.406 3.079 10 10 DGCE COC1(Cc2ccc(N)cc2)CCN(C(=O)OC(C)(C)C)CC1 1952457623 KWKRUOSBQWIJRO-UHFFFAOYSA-N 320.433 3.227 10 10 DGCE CC(C)(C)OC(=O)Nc1cccc([C@@H]2CC(F)(F)CN2)c1O 1952961906 WJXIIOGHZPFEDH-NSHDSACASA-N 314.332 3.409 10 10 DGCE C[C@H](NC(=O)N1C[C@H]2CC[C@@H](C2)C1)c1ccc(N(C)C)cc1 852261004 INEQPTCFHNYGAZ-KKUMJFAQSA-N 301.434 3.255 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@H](CCF)C1 853749275 NVMBDINISDQVIU-OAHLLOKOSA-N 321.440 3.342 10 10 DGCE CCNC[C@H]1CCN1c1ccc(OC(F)(F)F)c(Cl)c1 696269381 BGGSBKWZUMQHLQ-SNVBAGLBSA-N 308.731 3.427 10 10 DGCE C[C@H](NC(=O)N[C@H]1C[C@H]1Cc1ccccc1)c1ccccc1O 868309318 UBJPAHOYOYCGHS-LXZKKBNFSA-N 310.397 3.384 10 10 DGCE O=C(N[C@@H]1[C@H]2Cc3c(Cl)cccc3[C@@H]21)c1cc(O)cs1 863049531 JGDPDGINUSIAGY-LEWSCRJBSA-N 305.786 3.175 10 10 DGCE C[C@@H](NCCC[C@@H]1CCOC1=O)c1cc2c(cc1O)CCCC2 872111647 FLPQNRVPWWAUIA-ZIAGYGMSSA-N 317.429 3.265 10 10 DGCE CC[C@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(F)(F)F 786817754 WBCBAVCKGRTBAH-GWCFXTLKSA-N 317.355 3.454 10 10 DGCE CCCCOCCCNC[C@@H]1CCN(c2ccc(OC)cc2)C1 76360704 VTPOJWJQXKRHNR-KRWDZBQOSA-N 320.477 3.318 10 10 DGCE CCc1ccc(O)c(C(=O)NCc2ccc(N(C)C)cc2C)c1 1136743591 WETJLPYEKCDCST-UHFFFAOYSA-N 312.413 3.259 10 10 DGCE CC(C)[C@H]1CC[C@H]1NCc1ccc(N2CCC(CO)CC2)cc1 796702980 OIKDZPVHOHWBCL-WOJBJXKFSA-N 316.489 3.420 10 10 DGCE COc1ccc(CNC(=O)[C@@H]2[C@@H](C)[C@H]2c2ccccc2)c(O)c1 797762291 WGWAYTDDPLYIPR-UYHISHBKSA-N 311.381 3.067 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)c2ccoc2C2CC2)c1 798981183 KIQKTYKBWAKMPZ-SNVBAGLBSA-N 301.342 3.362 10 10 DGCE C[C@H]1CC[C@@H](CN)CN1Cc1cc(Cl)cc(Cl)c1O 70179097 QMHWPCCHMXNRKJ-UWVGGRQHSA-N 303.233 3.258 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 1328161473 RVRURILYKLPBOJ-FVQBIDKESA-N 301.434 3.049 10 10 DGCE C/C=C\C[C@@H](NCc1ccc(N2CCCC2)cc1)C(=O)OCC 1321148875 ODSVVDOWVSGNEF-LKIHTYOGSA-N 316.445 3.274 10 10 DGCE CNCc1ccc(N(Cc2ccccc2)[C@H](C)CO)c(Cl)c1 1914367777 ZFQMQDLVZYPTJV-CQSZACIVSA-N 318.848 3.447 10 10 DGCE NCc1ccc(N(CCCO)Cc2ccccc2)c(Cl)c1 1914614901 YGJWUPCACZDZPO-UHFFFAOYSA-N 304.821 3.188 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)C[C@@H]2CC[C@@H](C)C2)cc1 1530908082 XHEHTSZVSXNJJS-HZPDHXFCSA-N 318.461 3.416 10 10 DGCE C[C@@H](NC(=O)c1ccnc(-c2ccccc2)n1)c1ccccc1O 1471195843 NLMSIHPFYQNXPI-CYBMUJFWSA-N 319.364 3.340 10 10 DGCE CN(C)c1ccc(CN2C[C@@H]3C[C@H]2CN3c2ccccc2)cc1 1620538350 WKCAWCGZVNIKLN-PMACEKPBSA-N 307.441 3.216 10 10 DGCE COc1ccc(CN[C@@H](C)CCNC(=O)[C@@H](C)C2CC2)cc1C 1480758212 LNOJASOTVMGIMR-GJZGRUSLSA-N 318.461 3.034 10 10 DGCE COCc1sccc1C(=O)NCc1cc(Cl)ccc1O 1639965905 SWHLPROQYZPCNC-UHFFFAOYSA-N 311.790 3.184 10 10 DGCE C[C@H](C(=O)O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1927590257 IECGRIFELPFWOG-SMDDNHRTSA-N 322.405 3.039 10 10 DGCE O=C(COCc1cccc(Cl)c1)N1Cc2cccc(O)c2C1 1644088209 KADDEATUZMQDNG-UHFFFAOYSA-N 317.772 3.105 10 10 DGCE CC(=O)c1cc(F)cc(CN[C@H]2C[C@@H](OC(C)C)C2(C)C)c1O 1645713736 ORVHAUJCPOEJTK-JKSUJKDBSA-N 323.408 3.416 10 10 DGCE COc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1C 1587405607 WIRLQMDVTKUEJC-UHFFFAOYSA-N 312.413 3.342 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)[C@@H]2C[C@H]2C(C)(C)C)cc1 1586648780 BNDVESYNNUXTHL-IAGOWNOFSA-N 318.461 3.272 10 10 DGCE O=C(NCc1ccc(O)c(O)c1)[C@@H]1C[C@H]1c1ccccc1Cl 159010666 QJADOMXGMXZIEA-QWHCGFSZSA-N 317.772 3.171 10 10 DGCE CC1=NN(Cc2cc(C)ccc2C)C(=O)/C1=C/c1cccn1C 1865670917 ZDXXWMRIKJJPHK-WOJGMQOQSA-N 307.397 3.444 10 10 DGCE CC(C)(C)OC(=O)NC1CC(CC[C@H](N)c2ccccc2O)C1 1938515221 LMSKTSMOJCAKDI-PIMMBPRGSA-N 320.433 3.476 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]([C@H](N)c2ccccc2O)C(C)(C)C1 1936969217 BLBQLPHBTVHQOB-UKRRQHHQSA-N 320.433 3.285 10 10 DGCE CC(C)(C)OC(=O)NC[C@H]1CCCCN1CCCCN=[N+]=[N-] 1962298038 BGUWPYOEZPXXIV-CYBMUJFWSA-N 311.430 3.456 10 10 DGCE C[C@H](NCc1cc(Cl)cc(Cl)c1O)c1cncn1C 1967748111 NVSGDCOBXZOWOO-QMMMGPOBSA-N 300.189 3.283 10 10 DGCE C[C@H]1OCC[C@@H]1CCNCc1cc(Br)ccc1O 1972154913 FZRLJNXTIIKUAB-MNOVXSKESA-N 314.223 3.059 10 10 DGCE Cc1cccc(O)c1CN[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C 1976897000 PSICHERRSKGBHE-ZFWWWQNUSA-N 320.433 3.046 10 10 DGCE CNCc1ccc(N2C[C@H]3C[C@H]2[C@@H]2C[C@@H]32)c(Br)c1 2041540796 NNQXWIGEFAVCSY-ZAZJYDDPSA-N 307.235 3.013 10 10 DGCE CCCN[C@](CO)(CSc1nccs1)c1ccccc1 70521068 ORXOVSOWTQAEJE-OAHLLOKOSA-N 308.472 3.123 10 10 DGCE CC(C)NCc1ccc(N2C[C@@H]3C[C@H]3C2)c(Br)c1 379553695 XVSYLQOZJUSCFP-STQMWFEESA-N 309.251 3.403 10 10 DGCE CN[C@H]1CCN(Cc2ccccc2)[C@]1(C)c1ccc(N(C)C)cc1 712092922 VTZLIWLJFCQDJZ-LEWJYISDSA-N 323.484 3.462 10 10 DGCE C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CC[C@@H]1N(C)C 693631689 VYNAIDWSFDSZRT-YGRLFVJLSA-N 317.260 3.471 10 10 DGCE O=C(O)c1cc2nc(/N=N/c3ccccc3)[nH]c2cc1C(=O)O 2059093927 FZGMOVGZYQQPRB-VHEBQXMUSA-N 310.269 3.375 10 10 DGCE Cc1ccc(CN(C)c2ccc(CN)cc2Br)nc1 2105350705 FTCCITWEAYUZMH-UHFFFAOYSA-N 320.234 3.248 10 10 DGCE Cn1cc(NCc2ccc(Br)cc2O)c(Cl)n1 2216810130 ADWIYVGWKXBHJN-UHFFFAOYSA-N 316.586 3.154 10 10 DGCE CSc1ncc(CNC[C@@H](C)[C@H](N)c2ccccc2)s1 2284729534 QBFVZOGRQBBJNP-RISCZKNCSA-N 307.488 3.291 10 10 DGCE CCc1nsc(CNCc2cc(Cl)cc(Cl)c2O)n1 2273046128 RRNBJTXWALRWHX-UHFFFAOYSA-N 318.229 3.403 10 10 DGCE CC(F)(F)c1cnc(Sc2ccc(C(=O)O)cn2)s1 2264513166 GISWNOHYISMALL-UHFFFAOYSA-N 302.327 3.499 10 10 DGCE COC(=O)c1ccc(CNCc2cnc(SC)s2)s1 2269126070 XEQBNRXASBWZCJ-UHFFFAOYSA-N 314.457 3.003 10 10 DGCE Cc1ccc(CN(C)c2ncccc2N)c(O)c1Br 2352627912 WXDRFFAGRNSPSM-UHFFFAOYSA-N 322.206 3.077 10 10 DGCE CC[C@@]1(C)C[C@@H]1C(=O)N1CCCN(c2ccc(OC)cc2)CC1 177207736 YRNKPKQDLVIDGQ-MJGOQNOKSA-N 316.445 3.170 10 10 DGCE CCCNCc1ccc(N2CCOC[C@@H](F)C2)c(Cl)c1 2361808981 RJOIWVOUPAJKGC-ZDUSSCGKSA-N 300.805 3.014 10 10 DGCE COc1ccc(N2CCCN(C(=O)[C@@H]3C[C@H]3C(C)C)CC2)cc1 185082433 MDIINNIIGHDROT-ZWKOTPCHSA-N 316.445 3.026 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@@H]1C1CCCCC1 186405200 ASUOVYSDXSYANX-DAXOMENPSA-N 317.429 3.361 10 10 DGCE CN(Cc1ccc(Cl)s1)c1ccc2c(c1)N(C)C(=O)[C@@H]2N 131361636 VZYZPFZPEFVCEG-CQSZACIVSA-N 321.833 3.014 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCC[C@@H](F)C1 424693775 JOFXYGLMBGOJMT-QWHCGFSZSA-N 306.381 3.006 10 10 DGCE [N-]=[N+]=NCCCN[C@H](C(=O)O)c1c(Cl)cccc1Cl 90259111 NXFCJWDWLYOMDE-JTQLQIEISA-N 303.149 3.409 10 10 DGCE COc1cccc(CN[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)c1O 527749605 NQVRZDBCXLJLNX-HYVNUMGLSA-N 315.800 3.482 10 10 DGCE Cc1cc(Cl)cc(CNCC2CCN(C3CC3)CC2)c1O 278742164 RHXRGGMXZJBRET-UHFFFAOYSA-N 308.853 3.318 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@@H](C)[C@H](O)c2ccccc2)c1 290183266 FMGAISKWEYJRAR-LXIYXOSZSA-N 301.386 3.174 10 10 DGCE C[C@H]1C[C@H](C(F)(F)F)CCN1Cc1cc2c(cc1O)OCO2 295042155 OWJICFZDOWSENU-GXSJLCMTSA-N 317.307 3.284 10 10 DGCE CC1(C)CCC(N2C(=O)CN(Cc3ccccc3O)C2=O)CC1 819167351 ARNCOHZREWNLJV-UHFFFAOYSA-N 316.401 3.125 10 10 DGCE Cc1cc(CC(=O)N(C)Cc2cc[nH]n2)c(C)n1-c1ccccc1 827370861 LMKLPKSTBKMSGG-UHFFFAOYSA-N 322.412 3.018 10 10 DGCE Cc1cc(CN2CC(F)(F)C[C@@H]2CO)ccc1N1CCCCC1 829092774 NRHDMPKRVTXSHR-MRXNPFEDSA-N 324.415 3.187 10 10 DGCE Cc1ccc([C@H](C)NC[C@@]2(OC(C)C)CCOC2)c(O)c1C 903356357 CAHGGJOTURQJPG-YJBOKZPZSA-N 307.434 3.244 10 10 DGCE CC(C)c1nc([C@H](C)NC/C=C\c2ccc(N(C)C)cc2)n[nH]1 835042388 UXFCWJXEJUYTRC-AFNCTOJWSA-N 313.449 3.358 10 10 DGCE COc1cccc([C@H](C)Nc2ccc3c(c2)N(C)CCO3)c1O 846161895 HALIAQGODIRCOB-LBPRGKRZSA-N 314.385 3.403 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC2CC1(C)C2 854177522 YJMXOBXMCUNOCQ-XVTSOASTSA-N 315.461 3.186 10 10 DGCE CCc1noc([C@@H]2CC[C@@H](N[C@H](C)c3ccc(F)cc3O)C2)n1 927054130 USHVZNAZUFWTHT-NQBHXWOUSA-N 319.380 3.464 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@H]1C[C@@H](O)C12CCC2 850388773 PLOUBMFZSWKFLU-NWDGAFQWSA-N 302.201 3.092 10 10 DGCE c1ccc([C@@H]2CO[C@H](CNCc3ccc4c(c3)CCO4)C2)cc1 850377973 QNQCWIUISSHDRE-OALUTQOASA-N 309.409 3.284 10 10 DGCE Oc1ccc(-c2ccccc2)cc1CN[C@@H]1C[C@H](O)C12CCC2 850388278 KQSZXONWBVNWOT-MOPGFXCFSA-N 309.409 3.452 10 10 DGCE CCN(CCc1nccs1)Cc1c(O)ccc2ccncc12 753982842 OFQKZVLLMMOLLY-UHFFFAOYSA-N 313.426 3.462 10 10 DGCE CS[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](C)c1ccccc1O 868740735 RPLSQSOSKSBVON-NJZAAPMLSA-N 308.447 3.427 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)C(C)(C)[C@H]1CCCCO1 864634579 RBJBPQUDAUBDRM-QGZVFWFLSA-N 318.461 3.306 10 10 DGCE CC(C)C[C@H]1C(=O)N([C@H](C)c2ccc(N(C)C)cc2)C(=O)N1C 761576030 AAYDJZOMXKAUBS-CJNGLKHVSA-N 317.433 3.122 10 10 DGCE CC(C)(C)c1cnc(CCC(=O)N2Cc3cccc(O)c3C2)o1 871205091 VZTACKBZMAFGSY-UHFFFAOYSA-N 314.385 3.153 10 10 DGCE CCCCCN1CC2(CCNCC2)Nc2cc(OC)ccc21 76934481 LYSDBFKAIWFMSF-UHFFFAOYSA-N 303.450 3.240 10 10 DGCE CCOc1ccc(CN2CC[C@@H](Cc3ccncc3)C2)c(O)c1 783597384 MOXKDEHUHGHHKC-INIZCTEOSA-N 312.413 3.251 10 10 DGCE COc1cc(C)cc(CNCc2ccn(C3CCCC3)n2)c1O 894345750 LLUCCCPMMYRGSB-UHFFFAOYSA-N 315.417 3.311 10 10 DGCE C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C1CC(=O)C1 1137816319 GBXLRNVJDLCCES-CQSZACIVSA-N 323.392 3.461 10 10 DGCE O=C(NCCc1cccs1)c1cc2cc(O)c(O)cc2s1 1135461260 CCAQLDOOAFGDHO-UHFFFAOYSA-N 319.407 3.347 10 10 DGCE C[C@H](O)c1ccc(N2CC3(CN(Cc4ccccc4)C3)C2)cc1 706215467 PYWPUCXWNXIHJC-INIZCTEOSA-N 308.425 3.062 10 10 DGCE CC[C@@H](NCc1ncc(C)[nH]1)c1cc(Br)ccc1O 693484233 DKCPCDODSZFCSF-GFCCVEGCSA-N 324.222 3.427 10 10 DGCE Cc1cc(C(=O)N(C)Cc2ccc(N)cc2)oc1Br 1917616557 GDBBZHRRFXPFRI-UHFFFAOYSA-N 323.190 3.205 10 10 DGCE [N-]=[N+]=N[C@H]1CCN(C(=O)c2cc(F)cc(Br)c2)C1 1912178888 PBLUSKGPRQXQIP-JTQLQIEISA-N 313.130 3.113 10 10 DGCE C/C(=C\c1cccnc1)C(=O)N1C[C@@H](C)C(=O)Nc2ccccc21 1360533733 JFCWAOHUTXCKDC-JWAFFJSPSA-N 321.380 3.106 10 10 DGCE CC(C)[C@@H](CNC(=O)c1cccc(O)c1O)Cc1ccccc1 1467252925 KPHWOGNCSSFBMN-OAHLLOKOSA-N 313.397 3.343 10 10 DGCE CO[C@H](C(=O)NCc1cccc(Cl)c1O)c1ccccc1 1472317013 QYNBGXADBSGHJW-HNNXBMFYSA-N 305.761 3.050 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H](O)CC(C)C)cc1 1635705146 PVDQCJSZVVVFLQ-SFHVURJKSA-N 314.429 3.231 10 10 DGCE C[C@@H](NC(=O)c1cc(-c2cccc(O)c2)on1)c1ccccc1O 1643741806 ASGORFHLBOBKHT-LLVKDONJSA-N 324.336 3.244 10 10 DGCE CCN[C@H](c1ccccc1O)[C@@H](C)CNC(=O)OC(C)(C)C 1928468768 AAYVYPXZRYSMAI-WFASDCNBSA-N 308.422 3.204 10 10 DGCE CCN(CCCNCc1ccc(N)cc1)C(=O)OC(C)(C)C 1929716690 NJGFRMJTOMUVHM-UHFFFAOYSA-N 307.438 3.006 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)NC1Cc2ccccc2C1 1681179932 LPMUSALWQJIZPO-UHFFFAOYSA-N 316.788 3.012 10 10 DGCE CNCc1ccc(N(C)C[C@@H]2CCCO2)c(C(F)(F)F)c1 163690024 IRMGOCJCKWZQAS-LBPRGKRZSA-N 302.340 3.040 10 10 DGCE CCNCc1ccc(N(CCO)C(C)C)cc1C(F)(F)F 167371547 VGJHVHWDONZRLC-UHFFFAOYSA-N 304.356 3.022 10 10 DGCE CSc1cc(O)ccc1NS(=O)(=O)CCc1ccccc1 1858060327 JOCLVBWQSYIRCT-UHFFFAOYSA-N 323.439 3.099 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1C[C@H]2CC[C@H]1C2 739021950 XYSBCAPUEPPKRX-ZQIUZPCESA-N 301.434 3.049 10 10 DGCE CCN[C@@H](c1ccccc1O)[C@@H]1CCCN1C(=O)OC(C)(C)C 1936973847 LUNWUPNPGLXONV-HOCLYGCPSA-N 320.433 3.442 10 10 DGCE Oc1cccc(Br)c1CNCc1cc(C2CC2)no1 886269021 IRBLOJIKMIKXIJ-UHFFFAOYSA-N 323.190 3.310 10 10 DGCE CN(C)CCOc1ccc(N(C)CCC(F)(F)Cl)cc1 2143461700 ZBMGJTBBNXXKND-UHFFFAOYSA-N 306.784 3.285 10 10 DGCE Brc1coc(CNCc2ccc3c(c2)CCO3)c1 1964545531 KPNXGVFXVRHAKB-UHFFFAOYSA-N 308.175 3.267 10 10 DGCE CNCc1ccc(N2CCS[C@@H](C)C2)cc1C(F)(F)F 137245001 DGBGIPCGLVUUME-JTQLQIEISA-N 304.381 3.367 10 10 DGCE CC[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN1CCCN=[N+]=[N-] 1982247908 NKHAYTLVZQTRBL-MGPQQGTHSA-N 323.441 3.264 10 10 DGCE Oc1cccc(Br)c1CNC[C@H]1CCCOCC1 2028643948 BYNMRDODRCUKHZ-NSHDSACASA-N 314.223 3.061 10 10 DGCE Nc1cccc(Br)c1N[C@@H]1CC[C@H]2OCC[C@H]2C1 2033062574 AREHYDBXOWTIAP-OPQQBVKSSA-N 311.223 3.401 10 10 DGCE CC[C@H](CCNCc1cccc(Br)c1O)COC 2034916783 ZXKKCYJLGVKBCU-LLVKDONJSA-N 316.239 3.307 10 10 DGCE CO[C@@H]1CCC[C@H]1N(C)Cc1cccc(Br)c1O 687460531 NBNSLEJOAYQJMG-CHWSQXEVSA-N 314.223 3.154 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNCCO[C@@H]1CC1(F)F 690730191 HXHRERWDAVWTCN-SNVBAGLBSA-N 312.143 3.213 10 10 DGCE CCN(CC(F)F)c1ccc(CNC)cc1Br 386168310 COZVHOYKCGZWPK-UHFFFAOYSA-N 307.182 3.260 10 10 DGCE CC[C@H](N[C@H](C)[C@@H](O)CC)c1cc(Br)ccc1O 386749366 GEVRDNJJGNHPTB-ICCXJUOJSA-N 316.239 3.355 10 10 DGCE Cc1cc(O)c([C@H](n2nc(C)c(CN)c2N)C(C)(C)C)cc1C 2079945820 MHBMUPDZZNSROQ-INIZCTEOSA-N 316.449 3.190 10 10 DGCE COCC1(C)CCN(c2cc(Cl)c(CN)cc2F)CC1 2187336512 RZECGGALCATLMP-UHFFFAOYSA-N 300.805 3.191 10 10 DGCE CN1CCc2cc([C@H](N)c3snc(Cl)c3Cl)ccc21 2110899731 HSYUQAVKMVRYSJ-NSHDSACASA-N 314.241 3.490 10 10 DGCE Nc1cccc(Br)c1N[C@H](C(F)F)[C@H]1CCOC1 2223203108 BJZCHIDOMHBIPK-XVKPBYJWSA-N 321.165 3.113 10 10 DGCE C[C@H](N)c1ccc(N(C)C[C@@H](F)[C@H]2CCOC2)c(Cl)c1 2238325163 YGJUVXKVHXTKFH-VHRBIJSZSA-N 300.805 3.171 10 10 DGCE Nc1ccc(CCC(=O)O[C@H]2CCN(Cc3ccccc3)C2)cc1 2250374103 BYWRMCJHRSXGKB-IBGZPJMESA-N 324.424 3.019 10 10 DGCE CC(F)(F)c1ncc(C(=O)NCC2(CN=[N+]=[N-])CC2)s1 2289297016 PAVHOELXXLZTEB-UHFFFAOYSA-N 301.322 3.075 10 10 DGCE O=C(/C=C\c1cncc(F)c1)N1CCc2cc(F)c(F)cc21 491521680 XFFWYWNWWDQKOA-UPHRSURJSA-N 304.271 3.101 10 10 DGCE CC(C)c1csc(CNC(=O)C=Cc2ccc(O)c(O)c2)n1 2308001947 HKAUCFUHXZQXLF-UHFFFAOYSA-N 318.398 3.007 10 10 DGCE CCC1=NN(Cc2cccc(F)c2)C(=O)C1=Cc1ccccn1 2332128600 KKQCTEFINYDUFS-UHFFFAOYSA-N 309.344 3.413 10 10 DGCE Cc1ccnc(CN(C)c2ccc(CN)c(Br)c2)c1 2343529591 UVIXUJXPCONFFS-UHFFFAOYSA-N 320.234 3.248 10 10 DGCE COc1cccc(CNc2ccc(Br)c(O)c2)c1O 2344219995 VRXMGKZBLRCSCN-UHFFFAOYSA-N 324.174 3.481 10 10 DGCE COc1cc(OC)c(N2[C@H]3CCC[C@@H]2CC(=O)C3)cc1Cl 54600897 JFZPITQVKGDNHB-PHIMTYICSA-N 309.793 3.448 10 10 DGCE CN[C@@H](c1ccccc1O)c1c(C(F)F)nn(C)c1Cl 2364984756 DFCKRBOWSWPQKH-JTQLQIEISA-N 301.724 3.026 10 10 DGCE CC(C)(C)OC(=O)N1CCC(=O)C[C@@H]1c1cc(F)ccc1O 1952077108 KNWDANAJOGJTNQ-CYBMUJFWSA-N 309.337 3.172 10 10 DGCE C[C@H](NCc1ncc(C(F)F)s1)c1ccc(O)cc1O 2369606781 ZHMDIBKKBHUBKE-ZETCQYMHSA-N 300.330 3.343 10 10 DGCE Nc1ccc(CCNC(=O)[C@@H]2CCCO[C@@H]2c2ccccc2)cc1 237941555 DSXAJIKCWXVDSJ-RTBURBONSA-N 324.424 3.095 10 10 DGCE CC[C@@H](N[C@@H]1CCCn2nc(C)nc21)c1ccc(N(C)C)cc1 90225406 OTIWEBPHXBHVHU-IAGOWNOFSA-N 313.449 3.228 10 10 DGCE C[C@H](N[C@H]1CCO[C@@]2(CCSC2)C1)c1cc(F)ccc1O 248521686 ROJDQMRYXHRTCR-RBOXIYTFSA-N 311.422 3.237 10 10 DGCE CC1(CNCc2cc(-c3ccccc3)ccc2O)OCCCO1 277413720 LVDHYDHYJFKFDO-UHFFFAOYSA-N 313.397 3.302 10 10 DGCE Cc1cc(CN2CCC[C@H](c3ccncn3)C2)ccc1N(C)C 815020074 YJUSBAHWBKTKTM-KRWDZBQOSA-N 310.445 3.231 10 10 DGCE CN1CCCc2cc(CNCc3ccc4nc[nH]c4c3)ccc21 727469802 HQPVZMLHBFMAKY-UHFFFAOYSA-N 306.413 3.235 10 10 DGCE Cc1cc(CC(=O)N2CCC(=O)[C@@H](C)C2)c(C)n1-c1ccccc1 832462080 YDDOYRNYSXYVSR-AWEZNQCLSA-N 324.424 3.074 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1C[C@@H]1c1ccccc1 839682387 DCMXAYCDQUQXJY-MOPGFXCFSA-N 308.425 3.481 10 10 DGCE CNCCC1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 843057103 BBWGTZODKWCCRQ-PLNGDYQASA-N 301.478 3.087 10 10 DGCE Cc1ccc(CC[C@@H](C)NC(=O)N(C)Cc2ccccc2O)o1 745884254 ZGSWHMNRRLEKBT-CYBMUJFWSA-N 316.401 3.456 10 10 DGCE Cc1nc(C(C)C)sc1C(=O)Nc1ccc(O)cc1C(=O)O 910371928 XXKPXIYCQCJOCW-UHFFFAOYSA-N 320.370 3.231 10 10 DGCE c1cc(N2CCCCC2)ccc1CN1CCC[C@]2(CCNC2)C1 843123699 NSAXQRWZHXONPF-HXUWFJFHSA-N 313.489 3.252 10 10 DGCE COc1cccc(CN2[C@@H](C)CC[C@H]2C(=O)OC(C)(C)C)c1O 846005750 GSWAZJIWRXLXDA-JSGCOSHPSA-N 321.417 3.095 10 10 DGCE COc1c([N+](=O)[O-])ccc(CN2CCC[C@H]3C[C@H]2C3(C)C)c1O 846103210 UHQGPRGUNKUMTF-JSGCOSHPSA-N 320.389 3.320 10 10 DGCE OC1CCN(c2ccc(CN[C@H]3CCCSCC3)cc2)CC1 850568869 LTWCEOMYPRTIIW-INIZCTEOSA-N 320.502 3.023 10 10 DGCE CCCCC[C@H]1CCCCN1C(=O)C(=O)Nc1ccc(N)cc1 850860297 ZYNVDAAGBNSLOX-INIZCTEOSA-N 317.433 3.169 10 10 DGCE CCOc1ccc(O)c(CN2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c1 757865459 GPKIGEWQFRMYRT-WBVHZDCISA-N 307.434 3.020 10 10 DGCE Cc1cc(Cl)cc([C@H](C)N[C@@H]2C[C@@H](C)n3ncnc32)c1O 850499202 LFQTULAYMMKGOZ-GBIKHYSHSA-N 306.797 3.302 10 10 DGCE CC(=O)NCc1ccc(CN[C@@H](C)c2cc(C)ccc2O)cc1 850485045 WNNPEGSTMHMERP-AWEZNQCLSA-N 312.413 3.188 10 10 DGCE CC[C@H](COCC1CC1)N[C@H](C)c1cc(C(=O)OC)ccc1O 850494620 RDLCDGKDFTWRRA-IUODEOHRSA-N 321.417 3.035 10 10 DGCE CC(C)N[C@@](C)(CCCCSc1nccs1)C(=O)O 45596404 QUXBHJIVZAAACJ-ZDUSSCGKSA-N 302.465 3.247 10 10 DGCE C[C@H](NC(=O)NCC[C@H]1CCSC1)c1ccc(N(C)C)cc1 868515952 XRFBOJOGRYYZCK-KBPBESRZSA-N 321.490 3.256 10 10 DGCE CN(C)c1ccc(CNC(=O)C[C@@H]2CCCC2(F)F)cc1F 931147402 SSWDSYZIEILXFC-LBPRGKRZSA-N 314.351 3.333 10 10 DGCE COC(=O)/C=C\c1ccc(N2CC[C@H](C)[C@@H](C)C2)c([N+](=O)[O-])c1 766442843 MZUXGIHIGHAHSX-REPZICSESA-N 318.373 3.263 10 10 DGCE C[C@H]1CC[C@H](NCc2ccc(N(C)C)cc2C(F)(F)F)CN1 863649698 GTTZKTFSJYQHEN-AAEUAGOBSA-N 315.383 3.002 10 10 DGCE CCOCCCCCC(=O)NCc1ccc(N(C)C)c(F)c1 865050105 APFQFXRBSIYHJX-UHFFFAOYSA-N 310.413 3.105 10 10 DGCE Oc1c(F)cccc1CNCc1cnn(Cc2ccccc2)c1 390428722 NYGCESUYIKZRGQ-UHFFFAOYSA-N 311.360 3.066 10 10 DGCE Nc1ccc(NC(=O)NCCCCOCc2ccccc2)cc1 390745829 PZJBOGRCCUILAI-UHFFFAOYSA-N 313.401 3.387 10 10 DGCE NCc1cc(F)c(N2C[C@H]3CCCC[C@@H]32)cc1Br 706786736 YERMAVACFHAEMR-RNCFNFMXSA-N 313.214 3.426 10 10 DGCE COc1ccc(NC(=O)c2cc(O)cs2)c2cccnc12 1142165096 VMIYSASGTDUMET-UHFFFAOYSA-N 300.339 3.263 10 10 DGCE CC[C@H]1C[C@H]1CNCc1cc(Br)cc(F)c1O 715829928 UTWAJKBHPBDRDO-IUCAKERBSA-N 302.187 3.430 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2CC[C@@H]2C)cc1 1326882386 LBYKLOYMJQUXCD-YOEHRIQHSA-N 303.450 3.473 10 10 DGCE CN(Cc1ccccc1)C(=O)CN1CCCC[C@H](CN=[N+]=[N-])C1 1912174424 YZIQVAQGZVQYGC-MRXNPFEDSA-N 315.421 3.057 10 10 DGCE CCc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1OC 1449716773 WCPUASGEJPTXCR-WEVVVXLNSA-N 313.353 3.321 10 10 DGCE CN(Cc1ccccc1O)C(=O)c1ccnc(-c2ccco2)c1 1445650972 OWRSMNIQKDAFQH-UHFFFAOYSA-N 308.337 3.319 10 10 DGCE O=C(Cc1noc2ccccc12)NCc1cc(Cl)ccc1O 1469873555 BTQBFEHTRNKNEE-UHFFFAOYSA-N 316.744 3.046 10 10 DGCE CCC/C=C\[C@@H](O)C(=O)NCc1ccc(N(CC)CC)c(F)c1 1543251362 LMUJXHWIVQEEEU-XZVRFQMRSA-N 322.424 3.005 10 10 DGCE CCSc1ccccc1CC(=O)NCc1ccccc1O 1545682079 PKNGKOFKXFIYAA-UHFFFAOYSA-N 301.411 3.363 10 10 DGCE CC/C(C)=C\C(=O)NC[C@H](CC)NCc1ccc(OC)c(C)c1 1715055379 GNZZULAUCGTKBO-QXSWTLKVSA-N 318.461 3.344 10 10 DGCE O=C(NCc1ccc(O)cc1O)c1ccc(C(F)(F)F)cc1 1557084569 FSZKDJNDXFWVPC-UHFFFAOYSA-N 311.259 3.047 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1ccc(O)cc1F 1635965325 VWSZXWFFRFCKNN-UHFFFAOYSA-N 311.312 3.320 10 10 DGCE CCOC(=O)/C=C\CN(CC1CC1)c1ccc(OCC)cc1 1644161992 RYZDZOGLHQUEBM-WAYWQWQTSA-N 303.402 3.421 10 10 DGCE CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)N(C)Cc1ccc(N(CC)CC)cc1 1587460245 RNKISBNMJPIIKM-JCGIZDLHSA-N 318.461 3.162 10 10 DGCE C[C@H]([C@@H](N)c1ccc(N(C)C)cc1)N(C)C(=O)OC(C)(C)C 1959563317 ZOBBRQCFNGQQJD-IUODEOHRSA-N 307.438 3.008 10 10 DGCE CN(c1ccc(N)cc1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 1959567225 NPEQPSOOHRMZLZ-OAHLLOKOSA-N 305.422 3.008 10 10 DGCE CC(C)(C)OC(=O)NC[C@@]1(C)CCN(c2ccc(N)cc2)C1 1959570071 VQHGXMKSLANPDK-QGZVFWFLSA-N 305.422 3.010 10 10 DGCE CCCC1(C(=O)NC[C@H](C)NCc2ccc(OC)c(C)c2)CC1 1690618911 KALMCCVHIKJYOZ-HNNXBMFYSA-N 318.461 3.178 10 10 DGCE CCOc1ccc(O)c(CN2CCC(CN3CCCC3)CC2)c1 152687275 RHIJLAVISNZIKR-UHFFFAOYSA-N 318.461 3.099 10 10 DGCE Cc1cccc2sc(=Nc3ccc([N+](=O)[O-])cc3O)[nH]c12 1859857947 RFNQKQRFYSKCLV-UHFFFAOYSA-N 301.327 3.384 10 10 DGCE CCCCOc1ccc(/N=N/N(CCOC)CCOC)cc1 1860486447 DZSSPCBBJKYPGQ-ISLYRVAYSA-N 309.410 3.459 10 10 DGCE CCN1N=C(c2ccc(OC)cc2)/C(=C\c2cccc(O)c2)C1=O 1865654477 VNYFWEPWASCGHO-SFQUDFHCSA-N 322.364 3.051 10 10 DGCE CCCNCc1cc(F)c(N2CCS[C@@H](C)C2)c(F)c1 137245940 XHCQFMUWBDHOIN-NSHDSACASA-N 300.418 3.406 10 10 DGCE Oc1cc(Br)ccc1CN[C@@H]1CC[C@H]2[C@H]1C2(F)F 1967819297 IMLDLTLBZIZPDG-HOSYDEDBSA-N 318.161 3.288 10 10 DGCE Cc1cccc(O)c1CN[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 1976877720 SRRNILSVWWBZOD-SJLPKXTDSA-N 310.441 3.453 10 10 DGCE Cc1cccc(O)c1CN[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 1976877719 SRRNILSVWWBZOD-FUHWJXTLSA-N 310.441 3.453 10 10 DGCE CC(C)(C)OC(=O)N1CCCN(Cc2ccc(N)cc2)CCC1 1977921331 TYTBFZAEFSAFBC-UHFFFAOYSA-N 319.449 3.102 10 10 DGCE C[C@H]1CN(c2ccc(N)cc2)C[C@]1(C)CNC(=O)OC(C)(C)C 1977966933 AFNKNMKTJOYNDU-UGSOOPFHSA-N 319.449 3.256 10 10 DGCE Oc1c(F)cc(F)cc1CNCC1(Br)CCC1 2002779827 JXIOQOICJUHLQJ-UHFFFAOYSA-N 306.150 3.078 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN1Cc1ncc(Br)s1 1984484874 BHGQBDNLCQNYRM-SSDOTTSWSA-N 302.201 3.180 10 10 DGCE Cc1ccc([C@H](C)N[C@H]2CC[C@H]2NC(=O)OC(C)(C)C)c(O)c1 1986711697 FYVVKFKEIOIEEF-AEGPPILISA-N 320.433 3.407 10 10 DGCE NCc1ccc(N2CCS[C@@H]3CC[C@@H]32)cc1C(F)(F)F 2152201821 UKDBGHXNCPWUSL-QWHCGFSZSA-N 302.365 3.248 10 10 DGCE CN(Cc1ccccc1)[C@@H]1CCN(c2ccc3c(c2)CC[C@@H]3N)C1 2012706519 FEEIMQKDWYTGGO-CTNGQTDRSA-N 321.468 3.343 10 10 DGCE Oc1ccc(Br)cc1CN[C@H](CF)C(F)(F)F 2012897336 AZMNDLINEBIDCS-SECBINFHSA-N 316.092 3.145 10 10 DGCE O=S(=O)(Nc1ccc(O)cc1Cl)c1ccc(F)cc1F 70334331 CGTQLTBSUSUFQA-UHFFFAOYSA-N 319.716 3.125 10 10 DGCE COC(=O)[C@](C)(NCCN=[N+]=[N-])c1c(Cl)cccc1Cl 400842513 SWAUSBFCEBLZNM-GFCCVEGCSA-N 317.176 3.282 10 10 DGCE Cc1nc2[nH]c(-c3ccc(O)c(O)c3)nc2cc1Br 404677441 YOMGWPMTPXJEQW-UHFFFAOYSA-N 320.146 3.107 10 10 DGCE COc1ccc([C@@H](C)n2nc(CC(C)C)cc2C(=O)O)c(O)c1 2069882647 XSDQGUDSKOIAID-LLVKDONJSA-N 318.373 3.103 10 10 DGCE CC[C@H](c1cc(C)c(C)cc1O)n1nc(C(C)C)c(N)c1N 2079956741 LBCRXBFOFCJNOR-CYBMUJFWSA-N 302.422 3.493 10 10 DGCE CCN(CCF)c1ccc(CNC2CC2)cc1Br 2065018000 MJYPHGZTJLFHPS-UHFFFAOYSA-N 315.230 3.497 10 10 DGCE Oc1cc(Br)ccc1CNCc1coc(C2CC2)n1 2104290474 KINDZZANNDRHDL-UHFFFAOYSA-N 323.190 3.310 10 10 DGCE CCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccc(N)cc1 2212661765 GXCXZUQAPSGLTK-INIZCTEOSA-N 319.449 3.495 10 10 DGCE Oc1cccc(Cl)c1CNC[C@H]1OCC[C@@H]1C(F)(F)F 2240539291 ZBTUWGOJSPUPMZ-JOYOIKCWSA-N 309.715 3.103 10 10 DGCE Nc1ccc(CCCO[C@@H]2CCN(Cc3ccccc3)C2)cc1 2244783721 REWPYSABMIWFKH-HXUWFJFHSA-N 310.441 3.493 10 10 DGCE Cc1ccc(N2NC(=O)C(=CC=Cc3ccccc3)C2=O)cc1 2297532552 WSTIWTNEALTGTP-UHFFFAOYSA-N 304.349 3.013 10 10 DGCE CCN(CCN=[N+]=[N-])C[C@@H](O)c1cccc(Br)c1 2315992661 PIJIHOAPZFLQFR-GFCCVEGCSA-N 313.199 3.115 10 10 DGCE COc1cccc(C=C2C(=O)N(Cc3ccccc3)N=C2C)c1O 2332098022 POOOUDSIIQMVJJ-UHFFFAOYSA-N 322.364 3.203 10 10 DGCE CC[C@@H]1C[C@H]1C(=O)NCc1ccc(C)c(Br)c1O 2327590817 BXYVDHPLZFCUQM-MWLCHTKSSA-N 312.207 3.125 10 10 DGCE COc1cc(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])sc1Cl 2340262461 GNPACOCETBAUFW-SSDOTTSWSA-N 300.771 3.325 10 10 DGCE COc1ncccc1NCc1ccc(C)c(Br)c1O 2352677362 YYMNHJAJPMVUCK-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE O=[N+]([O-])c1ccc(O)c(CN(CC2CCC2)CC(F)(F)F)c1 178815531 WSLBRCWDYPDKKQ-UHFFFAOYSA-N 318.295 3.465 10 10 DGCE C[C@@H](N)c1ccc(N(C)[C@H]2CCN(Cc3ccccc3)C2)cc1 309872426 RRCUJGKWXMJNOY-UZLBHIALSA-N 309.457 3.417 10 10 DGCE C[C@H](CCc1ccccc1F)C(=O)NCc1cccc(O)c1O 1348046715 IXKHWKVJLHMESD-GFCCVEGCSA-N 317.360 3.122 10 10 DGCE CN(CCC(F)(F)F)c1c(F)cc(/C=C\C(=O)O)cc1F 214482301 BLYGZFPJZOUXLL-IHWYPQMZSA-N 309.234 3.451 10 10 DGCE COc1cccc(CNC(=O)NC2CCC(C)(C)CC2)c1O 74527282 HFNJMUYJEMBOMR-UHFFFAOYSA-N 306.406 3.169 10 10 DGCE C[C@H](NCC1(CCO)CC1)c1ccc(N2CCCCC2)cc1 188063232 HWUKKUZMZRWJSL-INIZCTEOSA-N 302.462 3.490 10 10 DGCE NCc1ccc(N2CCN(Cc3ccccc3)CC2)cc1Cl 379460740 SDSSPDDSRWGYDV-UHFFFAOYSA-N 315.848 3.121 10 10 DGCE Cc1cccc(CNC[C@H](C)CN(C)C(=O)OC(C)(C)C)c1O 224829209 DAHYGEPIHHMCKF-ZDUSSCGKSA-N 322.449 3.293 10 10 DGCE CCN(CC1CC1)c1cc(Br)c(CN)cc1F 379963709 FFPXJCIVRKTFCA-UHFFFAOYSA-N 301.203 3.283 10 10 DGCE COc1cc(Cl)cc(CNc2cccnc2N(C)C)c1O 229050528 DHYGYCRCWFKLEQ-UHFFFAOYSA-N 307.781 3.127 10 10 DGCE C[C@H](c1ccc(F)cc1O)N(CCCN)Cc1ccccc1 381829623 NWJRQCFIDLSWNO-CQSZACIVSA-N 302.393 3.443 10 10 DGCE CCCN[C@](CO)(CSc1nccs1)[C@@H]1CC12CCC2 2371098074 YXTWXQQIKAUOOP-IUODEOHRSA-N 312.504 3.156 10 10 DGCE Nc1ccc(NC(=O)N2CC[C@H](OCc3ccccc3)C2)cc1 384085692 DBRVAHMQLBNVIW-KRWDZBQOSA-N 311.385 3.092 10 10 DGCE Cc1cncc(/C=C\C(=O)N2C[C@H](C)Oc3cc(F)ccc32)c1 255073061 NKQIQHSHUUVRQS-RJNRQISESA-N 312.344 3.356 10 10 DGCE C1=C(c2ccco2)CN(Cc2ccc(N3CCOCC3)cc2)CC1 367688823 SRSVPKLBDOJMMO-UHFFFAOYSA-N 324.424 3.406 10 10 DGCE CCN(CC)c1ccc(CN[C@H]2CCc3cccc(O)c32)cn1 296192778 YPARSZRIJAKADW-INIZCTEOSA-N 311.429 3.411 10 10 DGCE C[C@@H]1CC[C@@H]1NC(=O)N(Cc1ccco1)Cc1ccccc1O 807557327 XYCSQLYAFFDRBS-CJNGLKHVSA-N 314.385 3.496 10 10 DGCE O=C(/C=C/[C@@H]1CCCO1)NCc1ccc(N2CCCCC2)cc1 819183169 AJMUZNAJQXCTRK-ZGKFYVQTSA-N 314.429 3.028 10 10 DGCE Cc1cc(CN[C@H]2CCOC[C@@H]2C)ccc1N1CCCCC1 829244342 WMUBNPZUFKRKBX-WMZOPIPTSA-N 302.462 3.500 10 10 DGCE COc1cc(Cl)cc(CNC[C@@H]2CCN2C(C)(C)C)c1O 826791651 YWFUCXVGKMOPJN-ZDUSSCGKSA-N 312.841 3.017 10 10 DGCE Cc1ccccc1-n1c(C)cc(-c2nc(C3(N)CC3)no2)c1C 905316909 XQISSNRCPVKUHQ-UHFFFAOYSA-N 308.385 3.400 10 10 DGCE O=C(/C=C\c1ccc(O)cc1)NCc1ccc(N2CCCC2)cc1 588464446 OIDGWSNXSAXKEM-GHXNOFRVSA-N 322.408 3.322 10 10 DGCE CCC[C@@H](NC(=O)NCc1cc(OC)ccc1O)C(C)(C)C 838474998 VUUUKXQWZIMQHX-OAHLLOKOSA-N 308.422 3.415 10 10 DGCE CN(Cc1ccccc1O)C(=O)NCC[C@]1(C)C[C@]1(F)Cl 845411369 ANVCQHSOPYGSKQ-HUUCEWRRSA-N 314.788 3.238 10 10 DGCE Cc1cc(O)c(CN[C@@H](C)C(=O)OCc2ccccc2)cc1C 848920920 MWUIGOZYYHIVIC-HNNXBMFYSA-N 313.397 3.231 10 10 DGCE c1csc(SCCCN[C@@H](C2CCC2)[C@H]2CCOC2)n1 925104389 YLNDYRIKHCBPMX-KBPBESRZSA-N 312.504 3.420 10 10 DGCE C[C@H](N[C@H]1C[C@@](CO)(c2ccccc2)C1)c1c(O)cccc1F 927155882 LYIHXCICMMVEMW-ZUEVXXBESA-N 315.388 3.275 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C)c2cn[nH]c2)cc1 757573075 ABFCEVAVBIVUAK-AWEZNQCLSA-N 308.385 3.308 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1CCCc1ccc(N)cc1 1952924570 FRCKGMQKCAFOSG-HZPDHXFCSA-N 320.433 3.274 10 10 DGCE COc1cccc(O)c1CN[C@H]1[C@@H]2c3ccc(Cl)cc3C[C@H]21 858214195 LXUNPZGDLJSDBL-FSPWUOQZSA-N 315.800 3.482 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)CC3CC(C)(C)C3)C2)cc1 855224939 IOAHZZRKGDPRJL-OAHLLOKOSA-N 316.445 3.216 10 10 DGCE C[C@H](NC[C@H]1c2ccccc2CN1C)c1ccc(F)cc1O 866563005 IMNVLWLHCNVZJX-SJCJKPOMSA-N 300.377 3.369 10 10 DGCE CC(C)(C)CCC1(O)CC(C(=O)N2Cc3cccc(O)c3C2)C1 871205205 RNEGIPYQQTWPSI-UHFFFAOYSA-N 317.429 3.202 10 10 DGCE O=C(N1Cc2cccc(O)c2C1)C1(c2cccc(F)c2)CCC1 871197966 BNQHMNTWOCMBOL-UHFFFAOYSA-N 311.356 3.495 10 10 DGCE COC(=O)C1=CC[C@H](N[C@H]2C[C@H](C)c3c(C)ccc(O)c32)C1 1118808639 UMCVOWNKJSXZIQ-UBHSHLNASA-N 301.386 3.100 10 10 DGCE COc1cc(C)cc(CN[C@@H](c2cnn(C)c2)C(C)(C)C)c1O 894325238 QCWYQWJEXXTIBQ-KRWDZBQOSA-N 317.433 3.320 10 10 DGCE O=C(NC[C@H]1CCCSC1)c1cc2cc(O)c(O)cc2s1 897771817 YMMAICZNEWAQHL-SECBINFHSA-N 323.439 3.186 10 10 DGCE COc1ccc(N(C)Cc2cncc(Br)c2)cc1 168405707 ZJCAAPMMAZZCDK-UHFFFAOYSA-N 307.191 3.489 10 10 DGCE CC(C)(C)c1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1O 1138440210 AKYQSSPGLCENTA-UHFFFAOYSA-N 315.369 3.282 10 10 DGCE CO[C@@H]1CCC[C@H](NCc2cc(Br)ccc2O)C1 746753664 GNMLPFGBCRXGOH-QWHCGFSZSA-N 314.223 3.202 10 10 DGCE Cc1cc(O)c(CN2CCN(c3cnccc3C)CC2)cc1C 798962292 OWIXJVOHFCJAKE-UHFFFAOYSA-N 311.429 3.035 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@H]1CO[C@H](C2CC2)C1 691476188 IKTZASICDGLRLA-YPMHNXCESA-N 302.201 3.356 10 10 DGCE C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1O 1151892050 GLHHQAMZQZZGQI-VIFPVBQESA-N 320.732 3.445 10 10 DGCE CC(C)Cc1cc(C(=O)N[C@@H](C)c2ccccc2O)cc(O)n1 1302537994 CLVYHURQUBCMEN-LBPRGKRZSA-N 314.385 3.182 10 10 DGCE COc1ccc2c(c1)CCCCN2Cc1cccnc1[N+](=O)[O-] 1168244981 WFHAAXOFVIWCCB-UHFFFAOYSA-N 313.357 3.341 10 10 DGCE Cn1nc(C(=O)NCc2c(O)ccc3ccccc23)cc1C1CC1 1179029027 HJRWZHYCYBEWKG-UHFFFAOYSA-N 321.380 3.086 10 10 DGCE COC(=O)C1=C(C)O[C@@H](CN(C)c2ccc(OC(C)C)cc2)C1 1193384765 MLQSNZBFLDVENZ-MRXNPFEDSA-N 319.401 3.146 10 10 DGCE COc1ccc2c(c1)c1c(n2CC(=O)N(C)C2CC2)CCCC1 1434902278 SLWSULIXDHGUTM-UHFFFAOYSA-N 312.413 3.150 10 10 DGCE C[C@@H]1O[C@H](C)C[C@H]1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1351674694 XNOKYHPUIBQGOS-RVKKMQEKSA-N 316.445 3.059 10 10 DGCE CC(C)(CCC(=O)NCc1c(O)cccc1O)c1ccccc1 1456235733 NKSZPHROOQJGOU-UHFFFAOYSA-N 313.397 3.472 10 10 DGCE O=C(Cc1ccc(OC(F)F)cc1)N1Cc2cccc(O)c2C1 1455036881 KWYNKVDYYRPIAZ-UHFFFAOYSA-N 319.307 3.079 10 10 DGCE Cc1cccc(COCC(=O)NCc2cc(Cl)ccc2O)c1 1469876762 JOZFPDICZNKXEZ-UHFFFAOYSA-N 319.788 3.187 10 10 DGCE Cc1cc(CC(=O)Nc2cnns2)c(C)n1-c1ccccc1 1538735410 RJWYXFKUCNOKKP-UHFFFAOYSA-N 312.398 3.127 10 10 DGCE CCOc1cc(NC(=O)c2c(F)ccc(O)c2O)ccc1C 1472560199 BNUPGXAGLHBAHF-UHFFFAOYSA-N 305.305 3.196 10 10 DGCE CCN[C@H](C[C@H](C)NC(=O)OC(C)(C)C)c1ccccc1O 1928469804 LWLUCWMJTTVEAC-GXTWGEPZSA-N 308.422 3.346 10 10 DGCE C[C@@H](Oc1ccc(N)cc1)C(=O)Nc1ccc(F)c(F)c1F 1860077667 CHPOOMLGHMHAKA-MRVPVSSYSA-N 310.275 3.092 10 10 DGCE CCN[C@H](c1ccccc1O)[C@@H]1C[C@@H]1CNC(=O)OC(C)(C)C 1936974965 OZOXWFQMIDUWHM-XNRPHZJLSA-N 320.433 3.204 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]([C@@H](N)c2ccccc2O)C2(CC2)C1 1936969955 HJHUXAHKECVORR-HIFRSBDPSA-N 318.417 3.039 10 10 DGCE Cc1cc(C(=O)N(C)CCN=[N+]=[N-])c(Br)s1 1940029242 BYDWQHXFTLLJCL-UHFFFAOYSA-N 303.185 3.201 10 10 DGCE CC(C)(C)NC(=O)NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1 1890338833 ZRPPIHFVWHEBOA-HOCLYGCPSA-N 301.434 3.273 10 10 DGCE CN(Cc1ccccc1O)c1ccc(CN)cc1Br 1877529242 OREFKVLOIVLYGG-UHFFFAOYSA-N 321.218 3.250 10 10 DGCE C[C@@H](O)C[C@@H](C)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 1977923867 ZYFMDQAWOKZZAH-ZIAGYGMSSA-N 322.449 3.307 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CN(Cc2ccc(N)cc2)C(C)(C)C1 1977920351 IJSKKXQQUOFHDY-HNNXBMFYSA-N 319.449 3.146 10 10 DGCE CC[C@@H](C)N(Cc1ccccc1)C(=O)c1cc(O)c(O)c(O)c1 1988088464 FBRNEGZFNHCAQL-GFCCVEGCSA-N 315.369 3.244 10 10 DGCE CCNCc1ccc(N2C[C@@H]3C[C@]3(C)C2)cc1Br 2035032477 RZTQIODCCGNSJQ-SWLSCSKDSA-N 309.251 3.405 10 10 DGCE C[C@H]1CCOC[C@@H]1N(C)Cc1cc(Br)ccc1O 2035128598 YIPZMLONLJONMG-GWCFXTLKSA-N 314.223 3.012 10 10 DGCE Cc1cc(N(C)Cc2cncc(Br)c2)ccc1CO 703051272 GLQBHLCVHVKMEX-UHFFFAOYSA-N 321.218 3.281 10 10 DGCE CN(CCN=[N+]=[N-])C(=O)c1ccc(Cl)nc1C(F)(F)F 2178760538 BWFKJYQRZIPUKP-UHFFFAOYSA-N 307.663 3.136 10 10 DGCE Oc1ccc(CNc2cc(F)c(F)cc2Cl)c(O)c1O 2168658476 FHTHEANZWMZNFO-UHFFFAOYSA-N 301.676 3.347 10 10 DGCE Cc1ccc([C@H](C2CC2)n2nc(C)c(CO)c2Cl)c(O)c1 2079126534 ZMADIUYTUYBEGR-HNNXBMFYSA-N 306.793 3.351 10 10 DGCE CC[C@H](O)[C@H]1CCCCN1c1cc(Cl)c(CN)cc1F 2177381317 LTDZOIPJFUZQAO-HIFRSBDPSA-N 300.805 3.068 10 10 DGCE CCNCc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3C(F)F)cc1Cl 2192287055 ULWQWLNDFIBPDD-IMRBUKKESA-N 300.780 3.397 10 10 DGCE Cc1cc(CN)ccc1N(C)C[C@]1(Br)CC1(F)F 2082509779 JIPWHCVESDHUSA-GFCCVEGCSA-N 319.193 3.063 10 10 DGCE CCCN[C@@](CSc1nccs1)(C(=O)OCC)C(C)C 2207859947 DXJPUNDFOJVAIR-CQSZACIVSA-N 316.492 3.193 10 10 DGCE O=C(/C=C\c1cnccn1)N(CC(F)F)c1cccc(Cl)c1 492081781 CLJAZIVOONFPRM-PLNGDYQASA-N 323.730 3.442 10 10 DGCE Cc1cc(S(=O)(=O)N[C@@H](C)c2ccccc2O)c(C)s1 867834610 RVQUEBJMPWFRJP-JTQLQIEISA-N 311.428 3.110 10 10 DGCE CC1=NN(C)C(=O)C1=Cc1cccc(OCc2ccccc2)c1 2332141561 FVSMNMRRAGUYMQ-UHFFFAOYSA-N 306.365 3.497 10 10 DGCE COc1cc2scc(O)c2cc1I 306917378 ZBIKKUVINHNWBI-UHFFFAOYSA-N 306.124 3.220 10 10 DGCE [N-]=[N+]=NCCCOc1cc([N+](=O)[O-])ccc1Br 230816693 LMHLFCPEKJECGS-UHFFFAOYSA-N 301.100 3.437 10 10 DGCE Cc1ccc(O)c([C@@H](C)N[C@H]2CCc3nc(C(C)C)nn3C2)c1 185996604 XQZKRKAVVIPPFZ-KGLIPLIRSA-N 314.433 3.081 10 10 DGCE C[C@@H](NC(=O)OC(C)(C)C)[C@@](O)(CN=[N+]=[N-])c1ccccc1 72207858 YNUQPFKZZPQHOM-ABAIWWIYSA-N 306.366 3.098 10 10 DGCE CSCCCNCc1cc(C)cc(Br)c1O 134750427 JCBHSZRTIVAXBV-UHFFFAOYSA-N 304.253 3.306 10 10 DGCE CC(C)(C)OC(=O)N1CC(=O)C[C@@H]1c1c(O)cccc1Cl 1952063563 XXZWCEXXWKAOFD-LLVKDONJSA-N 311.765 3.297 10 10 DGCE COc1ccc(CNC(C)C)cc1CSc1cnccn1 81885656 PBQZKNIPCSOYAR-UHFFFAOYSA-N 303.431 3.276 10 10 DGCE CCN(CC)c1ccc(CNC(=O)c2ccn(C)c2C)cc1F 195252589 UUZWDAQHOVMOKK-UHFFFAOYSA-N 317.408 3.249 10 10 DGCE CC(C)OC[C@@H](O)CNc1ccccc1OCc1ccccc1 381073218 QAWBWEBDOLYERR-KRWDZBQOSA-N 315.413 3.463 10 10 DGCE C[C@H](c1ccccc1O)N(C)C(=O)C(C)(C)Br 228356902 VDCUKYSVZQPZTQ-SECBINFHSA-N 300.196 3.085 10 10 DGCE CCCN[C@](CO)(CSc1nccs1)C1CC2(CC2)C1 2371053564 DCVPTGVTFYMMEN-OAHLLOKOSA-N 312.504 3.156 10 10 DGCE CC(=O)N(C(=O)OCc1ccccc1F)c1ccc(N)cc1 243125583 JKCULVXPOLDAQI-UHFFFAOYSA-N 302.305 3.098 10 10 DGCE CN(C)c1ccc(/C=C2/N=C(CCc3ccco3)OC2=O)cc1 253450596 ZWUCNYKBERIUSI-FOWTUZBSSA-N 310.353 3.275 10 10 DGCE CCOc1cccc(CN2CC[C@H](C(C)(C)C)[C@@H](O)C2)c1O 272370530 BMCROUYQJYMNEL-GJZGRUSLSA-N 307.434 3.020 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)c1ncc(C)cc1O 801549930 HMDTUUONYHCBPI-UHFFFAOYSA-N 314.385 3.244 10 10 DGCE O=C(/C=C\c1ccco1)NCc1cc(Br)ccc1O 804739178 UFJJEPBFLHVFEJ-XQRVVYSFSA-N 322.158 3.077 10 10 DGCE CC[C@@H](COCC1CC1)NCc1cc(Cl)cc(OC)c1O 826867919 NFSWFBCTJGEBPZ-AWEZNQCLSA-N 313.825 3.349 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)NCCCC(C)(F)F)c1 836502385 DKWFLSMLGMTZJS-SNVBAGLBSA-N 316.348 3.196 10 10 DGCE COc1cccc(CNC(=O)N[C@@H]2CCCC[C@@H]2C(C)C)c1O 745803666 RKYHMCHABSBDDY-HUUCEWRRSA-N 320.433 3.415 10 10 DGCE CS[C@H](CNCc1c(O)cccc1Br)C1CC1 2212978063 GXLFXJRTGURZPS-CYBMUJFWSA-N 316.264 3.386 10 10 DGCE Cc1cc(O)c(CN2[C@H](C(=O)O)C[C@H]3CCCC[C@H]32)cc1C 840997404 DKTZJOSPWQZKSA-BMFZPTHFSA-N 303.402 3.227 10 10 DGCE CN(C)c1ccc(CNC(=O)N2CCC[C@@]3(C2)CC3(F)F)cc1 844780859 LAJDXFDEUJLEBF-INIZCTEOSA-N 323.387 3.083 10 10 DGCE Cc1cc(O)c(CNCCC(=O)N2CCCCCC2)c(Cl)c1 840886585 HYIXRQPTHJEWIU-UHFFFAOYSA-N 324.852 3.236 10 10 DGCE COc1ccc2c(c1)N(C(=O)/C=C\c1cnccc1C)CCC2 856076644 GWXGLXJFSASWBI-VURMDHGXSA-N 308.381 3.391 10 10 DGCE CCCN(CCC)c1ccc(CNC2CC(CC(N)=O)C2)cc1 922509782 CYQULDIRAFKIAN-UHFFFAOYSA-N 317.477 3.057 10 10 DGCE COC(=O)/C=C\c1ccc(N2[C@H](C)CC[C@H]2C)c([N+](=O)[O-])c1 757798368 WJJNAPTWTXRZHX-PGQSYZCXSA-N 304.346 3.158 10 10 DGCE Cc1cc(O)c(CN[C@@H]2CCC[C@@H]2Cc2cnn(C)c2)cc1C 850384868 SFRWYEAGBAEOGG-SJLPKXTDSA-N 313.445 3.244 10 10 DGCE COC(=O)C1=CC[C@H](N[C@@H](C)c2cc3c(cc2O)CCCC3)C1 858473535 PBVKXDDZFGVHQK-LRDDRELGSA-N 315.413 3.183 10 10 DGCE COc1ccc(CNC(=O)c2nc(C(C)(C)C)cs2)c(O)c1 867956228 OROWTLXSSMJZSS-UHFFFAOYSA-N 320.414 3.085 10 10 DGCE COc1ccc2c(c1)[C@@H](C(=O)N1Cc3cccc(O)c3C1)CCC2 871204037 AURLJXKJKOENKA-INIZCTEOSA-N 323.392 3.363 10 10 DGCE Cc1ccc(/C=C\C(=O)NCc2ccc3c(c2)CCCN3C)cn1 777852672 FQQRKGMTYFBBGK-NTMALXAHSA-N 321.424 3.102 10 10 DGCE Oc1ccc(Cl)c(F)c1CNc1nnc(C(F)(F)F)o1 787788686 BQZSERLGWMOLNM-UHFFFAOYSA-N 311.622 3.199 10 10 DGCE CC1=C[C@H](C)CN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 797518582 CJMRGILIJRFJLL-ZFWWWQNUSA-N 301.434 3.421 10 10 DGCE C[C@@H](c1ccccc1O)N(C)C(=O)CCNCc1ccccc1 701228974 AXDDRIDXSUSRMF-HNNXBMFYSA-N 312.413 3.092 10 10 DGCE CN(Cc1ccsn1)c1ccc(CO)cc1Br 705688324 QNYRBATZWPYCLK-UHFFFAOYSA-N 313.220 3.034 10 10 DGCE C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccccc1O 1151899527 DMWZQRBWHIOBQU-JTQLQIEISA-N 312.329 3.046 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCc2cc(Cl)ccc21 1302319231 MHOZOGKFHDVBHE-AWEZNQCLSA-N 317.772 3.097 10 10 DGCE Oc1cc(Br)ccc1CN1[C@H]2CC[C@H]1[C@H]1CC[C@@H]2O1 1901311826 XPNTXINUZAEVNS-NZBPQXDJSA-N 324.218 3.049 10 10 DGCE C[C@H](N)c1ccc(N(Cc2ccccc2)C2COC2)c(F)c1 1915680992 VLVAFYGOMPUVLZ-ZDUSSCGKSA-N 300.377 3.251 10 10 DGCE CCC[C@@H](CC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1458046684 XDUOMELVUGAPPH-OAHLLOKOSA-N 304.434 3.170 10 10 DGCE CC[C@H](C)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(OC)c1 212667839 RANLUEKGERULLT-RRFJBIMHSA-N 306.450 3.197 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)NCCc1ccc2ccccc2c1 1464083520 VRMRLHPLOHDJHG-UHFFFAOYSA-N 321.376 3.152 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H]1/C=C\c1ccccc1 1472163085 LKFJGWQWWPYHSX-SECOEOQKSA-N 323.392 3.345 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)c2c(F)cc(C)cc2F)c1 1622778892 AKHDHTUXLRWGKY-JTQLQIEISA-N 321.323 3.478 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)C2(C(C)C)COC2)cc1 1623451661 LWCIRWHZAMHIBY-UHFFFAOYSA-N 318.461 3.164 10 10 DGCE CCC(CC)(NC(=O)OC(C)(C)C)[C@H](N)c1ccccc1O 1928475057 TVGWSAPCZSGDMI-CQSZACIVSA-N 308.422 3.476 10 10 DGCE COCCNCc1ccc(N2C[C@H]3CCC[C@H]3C2)c(Cl)c1 158253490 NFMAFZHSCKEFFW-GASCZTMLSA-N 308.853 3.312 10 10 DGCE CC(C)n1ncc(Br)c1C(=O)Cc1ccc(N)cc1 164082641 IYCFOZKQFVNDGG-UHFFFAOYSA-N 322.206 3.234 10 10 DGCE Nc1ccc(NC(=O)c2cc3cc(Cl)ccc3oc2=O)cc1 1866289384 JASHUYQIZDWWRN-UHFFFAOYSA-N 314.728 3.281 10 10 DGCE O=C1Nc2cc(N(Cc3ccccc3)CC3CCC3)ccc2[C@H]1O 1946850569 HIIRSSPFOXQCIT-LJQANCHMSA-N 322.408 3.479 10 10 DGCE CN(CCCN=[N+]=[N-])[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 1962286952 DSGKKGXLFFHFJE-CHWSQXEVSA-N 311.430 3.312 10 10 DGCE CO[C@H]1CN(Cc2cccc(Br)c2O)CC1(C)C 1967790260 HYESBTDOOBIYRO-LBPRGKRZSA-N 314.223 3.012 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C1)CN(CCCN=[N+]=[N-])C2(C)C 1982247422 HTVXEYMLSPENCN-QWHCGFSZSA-N 323.441 3.264 10 10 DGCE NCc1cc(F)c(N2CCC[C@@H]3CC[C@H]32)cc1Br 2034337986 BLSLJUNJFWJQLM-NOZJJQNGSA-N 313.214 3.426 10 10 DGCE COC[C@H](C)CN(C)c1ccc([C@@H](C)N)c(Br)c1 310913228 DLAPRRKDXRTXTK-GHMZBOCLSA-N 315.255 3.188 10 10 DGCE CC(C)NCc1ccc(N2CCO[C@@H](CF)C2)cc1Cl 2172051474 VDAGIPZIAYESJM-AWEZNQCLSA-N 300.805 3.013 10 10 DGCE CCCNCc1ccc(N2C[C@H]3C[C@H]3C2)c(Br)c1 379546307 FZGLJLFLTTURPN-BETUJISGSA-N 309.251 3.405 10 10 DGCE Cc1nn(C)c(NCCCc2ccc(N)cc2)c1Br 381980915 DTVLPGHDABNLND-UHFFFAOYSA-N 323.238 3.118 10 10 DGCE CN[C@@H](c1ccc2c(c1)CCCN2C)c1nc(Cl)cs1 2196948054 AMUOXVIQISXHIU-AWEZNQCLSA-N 307.850 3.488 10 10 DGCE Oc1c(CN[C@@H]2CS[C@H](C(F)(F)F)C2)ccc(F)c1F 2189246996 WAOCDRAJMNZICF-CBAPKCEASA-N 313.291 3.196 10 10 DGCE CN[C@H](C)c1cc(F)c(N(C)C[C@@H]2CCSC2)c(F)c1 2194695831 YAYRPTMWVLUPKR-MNOVXSKESA-N 300.418 3.435 10 10 DGCE C[C@@H]1C[C@@H]1N(C)c1ccc(C=CC(=O)O)c(Br)c1 2052757367 QBDSAAWQYHHTBD-RNCFNFMXSA-N 310.191 3.392 10 10 DGCE Oc1cc2c(cc1CNCCc1ccsc1Cl)OCO2 2195411835 BHPVPSUQDRLKCV-UHFFFAOYSA-N 311.790 3.168 10 10 DGCE C[C@@H]1CN(c2ccc(CO)cc2Br)CCC1(F)F 2085358895 OVZITJVRIQAUQT-SECBINFHSA-N 320.177 3.423 10 10 DGCE Oc1cc(Cl)ccc1CNCCCn1cc(Cl)cn1 2090127404 UEGHTADDLHAQKG-UHFFFAOYSA-N 300.189 3.075 10 10 DGCE CN(Cc1cccc(N)c1)Cc1cc(Br)ccc1O 2092476484 XCOAYOHRJWQXHN-UHFFFAOYSA-N 321.218 3.369 10 10 DGCE C[C@H]1c2cccn2CCN1c1ccc(CN)c(Br)c1 2114543504 FLNRAUJFEVLSLY-NSHDSACASA-N 320.234 3.291 10 10 DGCE CSc1ncc(CNC[C@H]2CCCCC[C@@H]2CO)s1 2269314272 SENCTJXDWDTHRB-VXGBXAGGSA-N 300.493 3.143 10 10 DGCE C[C@H](Nc1cnncc1Br)c1ccc(N(C)C)cc1 2208593300 NCDKZSZHAIGRSO-JTQLQIEISA-N 321.222 3.478 10 10 DGCE COC(=O)C1=C(C)N(C(C)C)C(=O)C1=Cc1sccc1C 2313541735 WVAKWEHTLBAREK-UHFFFAOYSA-N 305.399 3.138 10 10 DGCE C[C@H]1C[C@H](C)C(=O)N(c2c(Cl)cc(N)cc2Cl)C1=O 2340242921 PZRRFANMTQPGCF-BQBZGAKWSA-N 301.173 3.111 10 10 DGCE COC(=O)c1ccc(NC(=O)[C@H](C)Sc2nccs2)cc1 52914124 WGWNFWFGXZGIDW-VIFPVBQESA-N 322.411 3.049 10 10 DGCE O=[N+]([O-])c1ccc2sc(I)c(O)c2c1 307094941 CGCZKDHOGFWPMI-UHFFFAOYSA-N 321.095 3.120 10 10 DGCE CC(C)CN1CCC[C@@H]1CN[C@@H](C)c1ccc(F)c(F)c1O 187804166 QIYRLBONSDDXTG-QWHCGFSZSA-N 312.404 3.441 10 10 DGCE CN(C)c1ccc2c(c1)[C@@H](CN)N(CC1(c3ccccc3)CC1)C2 71683330 WAHMKKJTLQQZLE-HXUWFJFHSA-N 321.468 3.300 10 10 DGCE CC[C@H](CSC)N(C)c1ccc(CNCCOC)cc1C 124207197 XFGWQQSTEWEMMU-MRXNPFEDSA-N 310.507 3.309 10 10 DGCE CC(C)c1nc2n(n1)CCC[C@H]2N[C@@H](C)c1ccccc1O 183552442 SEOUUKAFAYWZHW-GXTWGEPZSA-N 300.406 3.293 10 10 DGCE COc1cc(OC)c(N2CCCN[C@H](C(C)C)C2)cc1Cl 86287803 GXBIYFKAIKYAEJ-ZDUSSCGKSA-N 312.841 3.182 10 10 DGCE CCN(C)c1ccc([C@H](C)N[C@H](C)Cc2cc(C)[nH]n2)cc1 246428495 NRVPRXVQTSWTIU-HIFRSBDPSA-N 300.450 3.456 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1 248529699 WZEHTVZGWQUYOY-MZTNWIODSA-N 317.429 3.399 10 10 DGCE c1cc(N2CCOCC2)ccc1CN[C@H]1CC[C@H]1C1CCC1 800968477 OUARFKQFNUVGHX-OALUTQOASA-N 300.446 3.192 10 10 DGCE CCOc1ccc(O)c(CNC[C@@H](Cc2ccccc2)OC)c1 294704962 DGVYEELBDNZBRS-GOSISDBHSA-N 315.413 3.138 10 10 DGCE COc1ccccc1[C@H](O)CNCc1ccc2ccccc2c1O 816537962 ZQNCSDMHILXAES-GOSISDBHSA-N 323.392 3.377 10 10 DGCE C[C@@H](NCC1(N)C2CC3CC(C2)CC1C3)c1ccc(F)cc1O 817983363 ATJQBKSFJTVFNL-JIWOQCETSA-N 318.436 3.336 10 10 DGCE CCOC(=O)C(C)(C)NCc1ccc(N2CCCCC2)c(C)c1 827661517 PRBQFPRUIVMTMB-UHFFFAOYSA-N 318.461 3.417 10 10 DGCE Cc1ccc([C@H](NC/C=C\c2ccc(N(C)C)cc2)C(=O)O)cc1 901775740 SZJXYCICRCPUHF-HMECNJMJSA-N 324.424 3.490 10 10 DGCE c1cc(-c2csc(CNCc3ccc4c(c3)CCO4)n2)ccn1 733331404 LMVUZVLSUFTTOH-UHFFFAOYSA-N 323.421 3.430 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)C[C@@H](C)n1ccc(C)n1 830141259 QACCSPYRLNMTPJ-OAHLLOKOSA-N 315.417 3.287 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CCO[C@H](C3CCC3)C2)c1O 839622347 BUZVSDISEGUJNU-INIZCTEOSA-N 323.820 3.249 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCC[C@@H](N3CCCC3)C2)cc1 835025570 KTTTZRKMPDWNSQ-ZEZYUPADSA-N 313.489 3.326 10 10 DGCE CO[C@@H](C)[C@H](C)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C 832803231 YPNHYFKOGMTDBD-HOCLYGCPSA-N 314.429 3.176 10 10 DGCE CO[C@]1(CN[C@H](C)c2cc(Cl)ccc2O)CCSC1 903314189 IJSSBCIRRKEVEN-YGRLFVJLSA-N 301.839 3.218 10 10 DGCE CN(C)c1ccc(/C=C/CNC[C@H]2CC[C@H](CN)CC2)cc1 841084227 XQEMBNHDCHITNT-CTWCUAEASA-N 301.478 3.121 10 10 DGCE COC(=O)/C(C)=C\CN(C)Cc1ccc(N2CCCCC2)cc1 748810124 QQLPWAXXTNDXQQ-WJDWOHSUSA-N 316.445 3.228 10 10 DGCE CN(CP(C)(C)=O)c1ccc(C=CC(=O)O)c(Cl)c1 1899535997 ODJWGXNFKYWTOA-UHFFFAOYSA-N 301.710 3.454 10 10 DGCE COC(=O)/C=C/c1ccc(N2CC(CC3CC3)C2)c([N+](=O)[O-])c1 856789773 KTAVCVDJMCIRAE-FNORWQNLSA-N 316.357 3.017 10 10 DGCE Nc1ccc(CCNC(=O)N[C@H](c2ccccn2)C2CCC2)cc1 861639761 GWSIGAVPDGHSPA-SFHVURJKSA-N 324.428 3.047 10 10 DGCE Cc1cnc(F)c(C(=O)NCc2ccc(N3CCCC3)cc2)c1 864863098 NPOKIKLIBQQUMH-UHFFFAOYSA-N 313.376 3.059 10 10 DGCE C/C(=C/c1ccco1)C(=O)NCc1ccc(N(C)C)c(F)c1 1125534120 CLVXFUCMFFTPEB-XFXZXTDPSA-N 302.349 3.204 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1cnc2cc[nH]c2c1 1157051680 ZZDPJOLMWFHJEH-UHFFFAOYSA-N 317.348 3.352 10 10 DGCE O=C(N[C@H]1CCCc2ccccc2C1)N1Cc2cccc(O)c2C1 1256003275 YDDNPXKOMBLZPO-KRWDZBQOSA-N 322.408 3.365 10 10 DGCE COc1ccc(CN[C@H]2C[C@H](NC(=O)CC(C)(C)C)C2)cc1C 1266576603 RSDSBBHZCIVOMN-WKILWMFISA-N 318.461 3.177 10 10 DGCE CN[C@@H](c1ccccc1O)c1c(Br)cccc1OC 1913191794 IYIUMDKBIMINHT-HNNXBMFYSA-N 322.202 3.472 10 10 DGCE CCNCc1ccc(N2CC(N(C)Cc3ccccc3)C2)cc1C 1914223102 IQFBXKDDCAXAAN-UHFFFAOYSA-N 323.484 3.425 10 10 DGCE C[C@H](NC(=O)c1ccc2c(C=O)c[nH]c2c1)c1ccccc1O 1454820976 URSKFFSLQGCVRJ-NSHDSACASA-N 308.337 3.177 10 10 DGCE C[C@@H](CC(=O)c1ccc(F)cc1)C(=O)NCc1ccccc1O 1465990337 IMBIAXYNJZNFNS-LBPRGKRZSA-N 315.344 3.057 10 10 DGCE CC1(C)CCN(C(=O)Cc2ccc(O)c(O)c2)c2ccccc21 1468607156 FQELUHSSCHFBQZ-UHFFFAOYSA-N 311.381 3.355 10 10 DGCE C[C@H](NC(=O)c1ccc(-c2cc[nH]n2)s1)c1ccccc1O 1471194950 QYOCAVOUASILJN-JTQLQIEISA-N 313.382 3.335 10 10 DGCE C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1c(O)cccc1F 1558454959 IPUXAJIWHXUCSJ-JTQLQIEISA-N 323.751 3.268 10 10 DGCE CCOc1ccc(Cl)c(NC(=O)Cc2ccc(O)c(O)c2)c1 1628045347 FZENFAXLVJFLNA-UHFFFAOYSA-N 321.760 3.331 10 10 DGCE O=C(NCc1cccc(F)c1)c1cc2cc(O)c(O)cc2s1 1624241637 DPPWVWGFHCSLNY-UHFFFAOYSA-N 317.341 3.382 10 10 DGCE Cc1cccc(C)c1C(=O)NCc1ccc2cccnc2c1O 1557122270 GALGLSLYHBEHFF-UHFFFAOYSA-N 306.365 3.487 10 10 DGCE CN(C)c1ccc(CN2CCC[C@]2(C)C(=O)OC(C)(C)C)cc1 1643956058 VHTWDPSOPSHXKV-LJQANCHMSA-N 318.461 3.449 10 10 DGCE C[C@H](NC(=O)Cc1coc(-c2ccccc2)n1)c1ccccc1O 1587447043 HYCPJIWYANEATE-ZDUSSCGKSA-N 322.364 3.467 10 10 DGCE O=C(NC/C=C/Cl)N(Cc1ccco1)Cc1ccccc1O 1684561336 NHMTWKIFJKGFHJ-XBXARRHUSA-N 320.776 3.450 10 10 DGCE Cc1cccc(C(=O)NCCOc2ccc(N)cc2)c1Cl 160216566 HEXYUUCZFKAYTP-UHFFFAOYSA-N 304.777 3.039 10 10 DGCE CCN(CCc1nccs1)Cc1cc(C)cc(OC)c1O 164608498 UOYHQLASNNNPOY-UHFFFAOYSA-N 306.431 3.230 10 10 DGCE CCN(CC)CCNC(=O)c1ccc(NN=NCC(C)C)cc1 1860489084 XCNKMVKMCKQFIT-UHFFFAOYSA-N 319.453 3.193 10 10 DGCE CCN[C@H](c1ccccc1O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1936987149 PMOVARUPSGZNNR-CJNGLKHVSA-N 320.433 3.300 10 10 DGCE Oc1ccc(Br)cc1CNCCC1CC(F)C1 1947685096 XALQGRUGEUVTQU-UHFFFAOYSA-N 302.187 3.383 10 10 DGCE CC1(C)OCCC[C@H]1NCc1ccc(Br)cc1O 1967882363 VRBOEFIBVGEJOG-CYBMUJFWSA-N 314.223 3.202 10 10 DGCE Cc1ccc(Br)c(CN(C)Cc2ccccc2O)n1 1968864596 AZNYEWBZOASDPZ-UHFFFAOYSA-N 321.218 3.490 10 10 DGCE CC[C@@H]1CN(c2ccc(N)cc2)CC[C@@H]1NC(=O)OC(C)(C)C 1977965428 IFRUWZUXBJZAAE-CJNGLKHVSA-N 319.449 3.398 10 10 DGCE CC(C)(C)OC(=O)N1C[C@](N)(c2ccccc2O)[C@H]1C(C)(C)C 1991351030 GOGPSZSSXLTYCJ-KDOFPFPSSA-N 320.433 3.212 10 10 DGCE CN(Cc1cc(Cl)cc(Cl)c1O)[C@H]1C[C@@H]2CC[C@H](C1)N2 2159685835 MKEKQAXECZUKIR-CLLJXQQHSA-N 315.244 3.414 10 10 DGCE CCN[C@]1(C(=O)O)C[C@H](Sc2nccs2)CCC1(C)C 2155425739 YOQQJQGJOFNZSN-YGRLFVJLSA-N 314.476 3.247 10 10 DGCE CSC1CC(N(C)c2ccc(CN)cc2Br)C1 707144757 LMFHWDATXHNSIP-UHFFFAOYSA-N 315.280 3.238 10 10 DGCE CO[C@@H](CNCc1cc(Br)ccc1O)C1CCC1 692911925 GHPLDTSEDVSGPS-AWEZNQCLSA-N 314.223 3.059 10 10 DGCE C[C@@H](N[C@H]1CCCCC12OCCO2)c1ccc(N(C)C)cc1 715672295 GAKOWCUNNUSJRJ-PBHICJAKSA-N 304.434 3.089 10 10 DGCE C[C@H]1CN(Cc2ccccc2)C[C@H]1NCc1ccc(N(C)C)cc1 389874842 SKAXKXRXIWQHLR-LAUBAEHRSA-N 323.484 3.363 10 10 DGCE COc1ccc([C@@H](C)n2nc(C3(C)CC3)c(N)c2Cl)c(O)c1 2080052995 QZBBYVXIBWTWKD-SECBINFHSA-N 321.808 3.494 10 10 DGCE Nc1cccc(Br)c1N[C@H]1CCC[C@@]23C[C@@H](CO2)[C@H]13 2088065112 DOUALGCNNYSPGF-WTKQLKIWSA-N 323.234 3.401 10 10 DGCE C[C@]12CCO[C@H]1[C@@H](NCc1cc(Cl)cc(Cl)c1O)C2 2097847228 PGAHJBSEVYHINH-FPMFFAJLSA-N 302.201 3.356 10 10 DGCE COc1ccc(Br)c(CNC[C@]2(F)C[C@@H]2C)c1O 2220462262 JCWJFSISTQENRN-ISVAXAHUSA-N 318.186 3.001 10 10 DGCE CSc1ncc(CNc2nc(C)cc(C)c2C(=O)O)s1 2284541727 OIBJSYRVADAEPA-UHFFFAOYSA-N 309.416 3.187 10 10 DGCE Cc1cc(C=C2SC(=S)N(C)C2=O)ccc1N1CCCC1 2297366387 UUOIMFAHSHHKFW-UHFFFAOYSA-N 318.467 3.426 10 10 DGCE Cc1ccc(C=CC(=O)NCc2ccc(O)c(O)c2)cc1Cl 2307787292 AAHBEHHVENZPTC-UHFFFAOYSA-N 317.772 3.389 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)NCC[C@@H]1C[C@H]2CC[C@H]1C2 2307986715 VJUFPNWMMBXVOX-SOUVJXGZSA-N 301.386 3.054 10 10 DGCE Cc1nc(Br)c(N[C@@H](C)c2ccccc2O)n1C 2315676270 GELXAPPYIWPYEY-QMMMGPOBSA-N 310.195 3.370 10 10 DGCE CCOc1ccc(N=NN2CCN(c3ccccn3)CC2)cc1 2330164840 IHGFKJVCEHGKQA-UHFFFAOYSA-N 311.389 3.301 10 10 DGCE Cc1nc(Br)c(CN[C@@H](C)c2ccccc2O)n1C 2337345963 XYVYGLRMSBZSCO-VIFPVBQESA-N 324.222 3.047 10 10 DGCE Cc1c[nH]nc1CN(C)Cc1ccc(C)c(Br)c1O 2352654737 DPFXAICCJLRWJM-UHFFFAOYSA-N 324.222 3.127 10 10 DGCE Cc1ccc(CN[C@H](C)c2ccnn2C)c(O)c1Br 2352688413 LHXAMIITZKRYFB-SNVBAGLBSA-N 324.222 3.047 10 10 DGCE CC(C)[C@@H](C)NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 53958695 CNCLSGYQEDDCFK-GDBMZVCRSA-N 320.433 3.127 10 10 DGCE CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F 175504001 FESYZYIQNNLPQR-UONOGXRCSA-N 317.335 3.433 10 10 DGCE C[C@@H](NCCCNC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 119745728 VTAPINHCGYDRHP-CQSZACIVSA-N 321.465 3.318 10 10 DGCE Cc1cnn(CCNC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1 117819307 QMKRPVFHJVXIBV-UHFFFAOYSA-N 322.412 3.029 10 10 DGCE CC(C)(C)OC(=O)N[C@@H](C(=O)O)c1c(O)ccc2ccccc12 1951380853 DAJGXCBNLLLIOX-CQSZACIVSA-N 317.341 3.196 10 10 DGCE Cc1oc2ccccc2c1C(=O)NCCc1ccc(O)c(O)c1 184686018 VJVYCGAGCDEYSV-UHFFFAOYSA-N 311.337 3.125 10 10 DGCE COc1ccccc1[C@H](O)CN[C@H](C)c1ccc(C)cc1O 185098175 XTLAVOMWXHCVOX-CXAGYDPISA-N 301.386 3.093 10 10 DGCE COc1cc(Cl)cc(CN2CCO[C@@H]3CCCC[C@H]32)c1O 228630456 OHEMTXLBEIOJFJ-ZIAGYGMSSA-N 311.809 3.198 10 10 DGCE Cc1ccc([C@@H](C)Nc2cccc(NS(C)(=O)=O)c2)c(O)c1 192957377 RSBXJCCBFOHKHL-GFCCVEGCSA-N 320.414 3.245 10 10 DGCE CNCc1ccc(N(C)Cc2ccoc2)c(Br)c1 234409669 GMRFUEOGBRFKSB-UHFFFAOYSA-N 309.207 3.398 10 10 DGCE CNCc1ccc(N(C)[C@@H](C)CSC)c(Br)c1 234407108 OSQGGQCZHGOWHJ-JTQLQIEISA-N 317.296 3.356 10 10 DGCE C[C@@H](N)c1ccc(N(C)CCOCc2ccccc2)c(F)c1 384140437 YOTBPJKLFVGTNK-CQSZACIVSA-N 302.393 3.498 10 10 DGCE CCCCCn1cc(C(=O)OCC(=O)C(C)=O)c2ccccc21 808534095 FOJIZJCNRXJCBY-UHFFFAOYSA-N 315.369 3.146 10 10 DGCE COC(=O)Cc1cccc2sc(Br)c(O)c12 396271163 PLYLFLPCFZWBID-UHFFFAOYSA-N 301.161 3.085 10 10 DGCE CCOc1ccc(CNC[C@H]2CC23CCSCC3)c(O)c1 817411410 RDYCMNWJBOMUMF-CQSZACIVSA-N 307.459 3.414 10 10 DGCE CN(C)c1ccc(CNCc2ccccc2-c2ccnn2C)cc1 814289757 UNKQAQZRUXVMQB-UHFFFAOYSA-N 320.440 3.443 10 10 DGCE COC1(c2ccccc2)CN(Cc2cccc(Cl)c2O)C1 813331779 VEAKVNLRSQMXHS-UHFFFAOYSA-N 303.789 3.403 10 10 DGCE Cc1cc(Cl)cc(CN[C@@H]2CCC[C@H]([S@](C)=O)C2)c1O 826911315 VZINFLUQIXLRMH-CKNLXJGOSA-N 315.866 3.133 10 10 DGCE C[C@H](O)[C@@H](NCc1cc(Cl)c(F)cc1O)c1ccccc1 827855458 DIMBBWYAQSXKTH-MGPLVRAMSA-N 309.768 3.396 10 10 DGCE Cc1cc(O)c(CNCc2nccn2CC(C)C)cc1Cl 825428667 AHVVJLLHRRDBCF-UHFFFAOYSA-N 307.825 3.496 10 10 DGCE CN(C/C=C/c1ccc(N(C)C)cc1)C[C@H]1CCCN(C)C1 835026451 WSOWXFMZEVLPMY-SUQGKYDKSA-N 301.478 3.039 10 10 DGCE CCC[C@@](C)(NC/C=C\c1ccc(N(C)C)cc1)C(=O)OC 835033863 YEHITAUPFURQDU-JTHGQSKGSA-N 304.434 3.087 10 10 DGCE CC[C@@H]1C[C@H](CN(C)CCN(C)c2ccc(OC)cc2)CCO1 846051292 FGAGJWARPXPFMS-SJLPKXTDSA-N 320.477 3.268 10 10 DGCE COc1ccc(N2CCN(C(=O)/C=C(/C)C(C)(C)C)CC2)cc1 742470140 AALBUIZXMSALNP-PFONDFGASA-N 316.445 3.336 10 10 DGCE CCc1cccc(CNc2cccc([C@@H]3CNC(=O)C3)c2)c1O 848890728 KTSWLKKBAHDOKB-INIZCTEOSA-N 310.397 3.170 10 10 DGCE Cc1ccc(O)c(CNC(=O)N[C@@H](C)C2CCC(F)CC2)c1 858620381 XYPVRIFKRHSCSP-OPFPJEHXSA-N 308.397 3.417 10 10 DGCE CC[C@@H](CNCc1ccc(N(CC)CC)c(F)c1)CC(=O)O 756311746 WJKSSYDCHQFZFF-CYBMUJFWSA-N 310.413 3.262 10 10 DGCE COc1ccc2ccc(O)c(CN3CC[C@H]4COC[C@H]4C3)c2c1 853586650 VTJKDPBAAZVXIK-LSDHHAIUSA-N 313.397 3.022 10 10 DGCE COc1cc(N(C)Cc2ccnc(C)c2)cc(OC)c1OC 856726295 BGJLQBWLHUEISK-UHFFFAOYSA-N 302.374 3.052 10 10 DGCE c1ccc(COc2ccc(N3CCC[C@@H]4CNC[C@H]43)cc2)cc1 1899865017 JCCLZMBFHWJDGW-YLJYHZDGSA-N 308.425 3.454 10 10 DGCE CC(C)[C@H](NC(=O)N1Cc2cccc(O)c2C1)C(F)(F)F 931040216 WOKZPRXOBIRNML-LBPRGKRZSA-N 302.296 3.004 10 10 DGCE CCc1noc(C)c1NC(=O)NCc1cccc(Cl)c1O 930545136 IDIUMCWHACTSHB-UHFFFAOYSA-N 309.753 3.226 10 10 DGCE CC(C)C[C@@H](C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 764999632 COQIGAIHKIFTLM-CVEARBPZSA-N 318.461 3.383 10 10 DGCE Oc1cc2c(cc1CN1[C@H]3CC[C@H]1c1ccccc13)[C@@H](O)CO2 768447658 RPRPRMPVPNWPGD-BQFCYCMXSA-N 309.365 3.210 10 10 DGCE CO[C@@H]1CC[C@H](C)N(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 868515928 XDEUFTMTXAASBT-GRDNDAEWSA-N 319.449 3.023 10 10 DGCE CN(C)c1ccc(CNC(=O)Cc2ccc3cnccc3c2)cc1 1124553633 SZYFDXVUQGQOAE-UHFFFAOYSA-N 319.408 3.160 10 10 DGCE O=C(NCCc1ccc(O)c(O)c1)c1ccccc1C(F)F 1137464985 ZUCJZSZRCOYDBW-UHFFFAOYSA-N 307.296 3.008 10 10 DGCE C[C@H]1Nc2cc(Cl)ccc2N(Cc2ccc(N)cc2)C1=O 76888477 NEJDMCSZJHZKLY-SNVBAGLBSA-N 301.777 3.269 10 10 DGCE CCOC(=O)[C@@H]1CC[C@H](N[C@H](CC)c2ccc(C)cc2O)C1 798003963 UJCLRCSGLWNJLQ-IJEWVQPXSA-N 305.418 3.473 10 10 DGCE Cc1ccc2[nH]c(C(=O)NCc3ccc(O)cc3O)cc2c1C 1142533414 JHCQMPVTXFXJSY-UHFFFAOYSA-N 310.353 3.126 10 10 DGCE C[C@H](NC(=O)CSc1ccc(O)cc1)c1ccccc1O 1302538555 VBWOVUUJXYHMKG-NSHDSACASA-N 303.383 3.067 10 10 DGCE COc1ccc(C[C@H](C)N(C)Cc2cc(OC)ccc2O)cc1 1319825797 FDMBKOCGMFCKEJ-AWEZNQCLSA-N 315.413 3.472 10 10 DGCE FC(F)[C@H]1CCN(Cc2ccc(N3CCCC3)cc2)CCO1 1330702026 PZTLRTGXUBXXEL-MRXNPFEDSA-N 310.388 3.143 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2O)C1 1912166119 SKYJCVRHVQXWBK-ZETCQYMHSA-N 315.160 3.471 10 10 DGCE [N-]=[N+]=N[C@@H]1CCN(C[C@H]2Cc3cc(Br)ccc3O2)C1 1912184506 FRBNGUFTLNCZJK-VXGBXAGGSA-N 323.194 3.137 10 10 DGCE C[C@H](CC(=O)N1CC(N=[N+]=[N-])C1)c1ccc(Br)cc1 1912195822 HILFBDDQSLGMDY-SECBINFHSA-N 323.194 3.464 10 10 DGCE CO[C@@H]1C[C@@H](CF)N(Cc2cc(Cl)cc(Cl)c2O)C1 2133721564 CZJZWAVHZROUPL-WDEREUQCSA-N 308.180 3.258 10 10 DGCE Cc1cc(CC(=O)Nc2cnn(C)c2)c(C)n1-c1ccccc1 1463890630 VCDIABNMEIKYDH-UHFFFAOYSA-N 308.385 3.009 10 10 DGCE CC[C@H](C)c1ncc(NC(=O)/C=C/c2ccc(O)c(O)c2)cn1 1635030335 SOJWHXVSXCLDTI-ZRQQLDRUSA-N 313.357 3.053 10 10 DGCE O=C(NCCc1ccsc1)c1cc2cc(O)c(O)cc2s1 1632051300 CUKTUZDLXOFVIB-UHFFFAOYSA-N 319.407 3.347 10 10 DGCE C[C@@H](NC(=O)c1onc2ccccc12)c1ccc(N(C)C)cc1 1567778886 LDTUDNQRDIQLTI-GFCCVEGCSA-N 309.369 3.385 10 10 DGCE Cc1cnc(Cl)c(C(=O)NCc2cc(Cl)ccc2O)c1 1644590671 JYZHLVUVILLNHZ-UHFFFAOYSA-N 311.168 3.332 10 10 DGCE CCn1c(=O)c(NCc2cc(C)ccc2O)nc2ccccc21 1651258170 BJUUBUDXFJTXMT-UHFFFAOYSA-N 309.369 3.043 10 10 DGCE Cc1ccc(O)c(CNC(=O)N[C@H](C)c2ccc(F)cc2)c1 1685607386 GSWQYKXJBKYNKV-GFCCVEGCSA-N 302.349 3.400 10 10 DGCE CCCC1=NN(CC(C)C)C(=O)/C1=C/c1ccc(OC)c(O)c1 1865664144 BULHQEUJDZZDND-NTEUORMPSA-N 316.401 3.439 10 10 DGCE CN(c1ccc(CN)c(F)c1)[C@@H]1CC[C@@H]1OCc1ccccc1 1939611931 OLWVYYVEOROZMH-MOPGFXCFSA-N 314.404 3.468 10 10 DGCE Oc1cc(Br)ccc1CNC[C@@H](F)C(F)(F)F 1876095628 XNJRCIWOBQLTJK-SECBINFHSA-N 316.092 3.145 10 10 DGCE NC[C@@H]1CCC2(CCC2)[C@H]1Nc1c(N)cccc1Br 1876204393 WWIYVAQCLJDJGR-HZMBPMFUSA-N 324.266 3.351 10 10 DGCE CN(C(=O)OC(C)(C)C)c1cccc(C(=O)NCCN=[N+]=[N-])c1 1963818622 WTNDAAKNFCCOMG-UHFFFAOYSA-N 319.365 3.098 10 10 DGCE CO[C@@H]1[C@@H](NCc2ccc(Br)cc2O)CC1(C)C 1974298511 LANBEAYDYYLBEJ-WCQYABFASA-N 314.223 3.058 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(N)cc2)[C@H]2C[C@@H]21 1974961875 YXHWSYPFSPDQOB-ILXRZTDVSA-N 303.406 3.079 10 10 DGCE COc1cccc(O)c1CNC[C@@H](C)COCc1ccccc1 1976858187 MMPDVCAXMZRLCA-OAHLLOKOSA-N 315.413 3.343 10 10 DGCE C[C@@H](CCNC(=O)OC(C)(C)C)[C@@H](N)c1ccc(N(C)C)cc1 1977944590 HXCDAZWJPJZXHL-XJKSGUPXSA-N 321.465 3.303 10 10 DGCE CN[C@@H](CCN(C)C(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1977944998 LGEXOZFCZJLNGC-INIZCTEOSA-N 321.465 3.270 10 10 DGCE C[C@H]1COCC[C@H]1N(C)Cc1c(O)cccc1Br 2031922437 XLBZVLSMGJPIBP-GXFFZTMASA-N 314.223 3.012 10 10 DGCE CNCc1ccc(N2CCCN(Cc3ccccc3)CC2)cc1 323760620 VLJWTCTXZFIOJK-UHFFFAOYSA-N 309.457 3.118 10 10 DGCE CC(C)[C@@H]1C[C@H](NCc2cc(Br)ccc2O)CO1 691487931 MMBZEMVPUBYPSA-JSGCOSHPSA-N 314.223 3.058 10 10 DGCE O=C(NCc1c(O)cc(O)cc1O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 2064802885 VDTPQVWEVONFFY-JHJVBQTASA-N 319.401 3.026 10 10 DGCE CCOC(=O)c1cc(C2CC2)nn1[C@@H](C)c1ccc(F)cc1O 2069904412 FMANLYGWOXAZAV-JTQLQIEISA-N 318.348 3.391 10 10 DGCE CSc1cnn(Cc2cccc(F)c2O)c1Br 2070245261 CDFBYAVIJOYAFA-UHFFFAOYSA-N 317.183 3.261 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CC[C@@]2(CCCO2)C1 1203574478 YAYLAOBDFMTDMG-AWEZNQCLSA-N 302.201 3.454 10 10 DGCE Cn1cc(NCc2ccc(Cl)cc2O)c(C(F)(F)F)n1 2178709117 FAKMDOLBDGTATC-UHFFFAOYSA-N 305.687 3.410 10 10 DGCE CC(C)N[C@]1(C(=O)O)C[C@H](C)C[C@@H](Sc2nccs2)C1 2175482200 CQXYNNPFGHPNIS-JTNHKYCSSA-N 314.476 3.245 10 10 DGCE Cc1cc(O)c([C@@H](C)n2nc(C3CCC3)c(CO)c2N)cc1C 2079998666 SLZZXDCYQRWXDP-GFCCVEGCSA-N 315.417 3.157 10 10 DGCE CN(C[C@@H]1CC12CC2)c1ccc(CN)c(Br)c1F 2047198709 MUZHFASYTRRLSV-JTQLQIEISA-N 313.214 3.283 10 10 DGCE Oc1cc(Br)ccc1CN[C@@H]1[C@@H]2CCC(F)(F)[C@H]21 2051222405 DGVHQARAOKGSRC-YUSALJHKSA-N 318.161 3.288 10 10 DGCE CN(C[C@](C)(F)C(F)(F)F)c1c(F)cc(CO)cc1F 2191862387 JQYQGWGNZAMPFF-NSHDSACASA-N 301.230 3.184 10 10 DGCE CNCc1ccc(N2Cc3ncsc3C2)c(Br)c1 2081618769 WFYNDMVJOYRBBG-UHFFFAOYSA-N 324.247 3.145 10 10 DGCE Oc1ccc(Br)cc1CNc1ccc2nccn2c1 2103653892 PYQWRPMPKWJOQF-UHFFFAOYSA-N 318.174 3.415 10 10 DGCE CN(Cc1ccc(N)cc1)Cc1cc(Br)ccn1 2219101306 CVLNTHOGAUSDMC-UHFFFAOYSA-N 306.207 3.058 10 10 DGCE COc1cc([C@H](O)Cc2ccc(N)cc2)ccc1Br 2266810851 BRLLVQNKTVZWCC-CQSZACIVSA-N 322.202 3.316 10 10 DGCE Cc1cc([C@@H](C)NC(=O)C=Cc2ccc(O)c(O)c2)c(C)o1 2307986811 DGPAWKHTPNBZKL-LLVKDONJSA-N 301.342 3.198 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)Nc1cccc(OC(F)F)c1 2307990281 GKUILNYXCKSATO-UHFFFAOYSA-N 321.279 3.351 10 10 DGCE CC(=CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1)c1ccccc1 2308464821 WMXRPGZIVVLCJG-CQSZACIVSA-N 311.381 3.249 10 10 DGCE CCOC(=O)CCN(CC)N=Nc1ccc([N+](=O)[O-])c(C)c1 2318775894 OGYGOASGTPPEHO-UHFFFAOYSA-N 308.338 3.177 10 10 DGCE COc1ccccc1N=Nc1c(CC(=O)O)nc2ccccn12 2320767433 GBNQCCSCMWTHTG-UHFFFAOYSA-N 310.313 3.385 10 10 DGCE Oc1c(Br)cccc1CN[C@@H]1C[C@@H]2C[C@H]1[C@@H]1C[C@H]21 2309575807 STXFJXPGWGOLOX-ILOGHGLZSA-N 308.219 3.289 10 10 DGCE COc1cc(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)sc1Cl 2340266572 ZWSMZZIKYFLHLK-SSDOTTSWSA-N 300.771 3.183 10 10 DGCE Nc1ccc(OC[C@@H](O)CSc2cc(F)ccc2F)cc1 51328480 WZXXEIWPRYNQPE-GFCCVEGCSA-N 311.353 3.079 10 10 DGCE CN(C(=O)COc1ccc(F)c(Cl)c1)c1ccc(N)cc1 111763968 QLDGQXIKDIPHDJ-UHFFFAOYSA-N 308.740 3.103 10 10 DGCE CC(C)(C)OC(=O)Nc1cccc([N+](=O)[O-])c1[C@H](CO)N=[N+]=[N-] 1951355457 BXGOZCMJAVYZNB-VIFPVBQESA-N 323.309 3.286 10 10 DGCE CSC[C@@H](C)N(C)c1c(F)cc(/C=C/C(=O)O)cc1F 124269516 FLRKPHCCWVMEOC-XNPJLODASA-N 301.358 3.250 10 10 DGCE Cc1cc(O)ccc1/N=N\c1c(CC(=O)O)nc2ccccn12 71581199 NLZGMCMESINILA-HNENSFHCSA-N 310.313 3.391 10 10 DGCE CCCN(CCN(C)C)Cc1cc(Cl)cc(C(C)=O)c1O 45699436 WPNZETNQPGWEFX-UHFFFAOYSA-N 312.841 3.022 10 10 DGCE CC(=O)c1ccc(O)c(CN2CCC[C@@H](C(F)(F)F)C2)c1 88431992 WMDOMECYLMKWIW-CYBMUJFWSA-N 301.308 3.369 10 10 DGCE CN(C[C@@H]1CCCCO1)c1ccc(CN)c(C(F)(F)F)c1 48946603 NMTLXXZCERIGRL-ZDUSSCGKSA-N 302.340 3.169 10 10 DGCE CC[C@H](NC1CCC(NC(C)=O)CC1)c1ccc(N(C)C)cc1 268885144 XMQNRDYCVGXXNZ-TVPLGVNVSA-N 317.477 3.241 10 10 DGCE Cc1cc(Br)cc([C@@H](C)N[C@H]2CCCOC2)c1O 275266404 BDPSYBUVNSGTEK-PWSUYJOCSA-N 314.223 3.293 10 10 DGCE CSc1cnc(NCc2c(O)ccc3c2CCCC3)nc1 804508128 BHMPDIKZDXSEFP-UHFFFAOYSA-N 301.415 3.395 10 10 DGCE Cc1cc(Cl)cc([C@H](C)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c1O 808706554 MRSOKLBOHNJPGW-VDYMJLGFSA-N 322.836 3.014 10 10 DGCE NC(=O)C1CCC(NCc2cc(-c3ccccc3)ccc2O)CC1 727645448 LARPOWZJLFRALA-UHFFFAOYSA-N 324.424 3.193 10 10 DGCE Oc1ccc(/C=C\c2nc(-c3ccc4c(c3)CCO4)no2)cc1O 588458082 HZVCNCBBLVNULZ-KXFIGUGUSA-N 322.320 3.253 10 10 DGCE Oc1cc2c(cc1CN1Cc3ccc(Cl)cc3C1)OCO2 839192015 SEQUGVHBMOYXPS-UHFFFAOYSA-N 303.745 3.290 10 10 DGCE Cc1cccc(C[C@@H](CO)NC/C=C/c2ccc(N(C)C)cc2)c1 835049376 DIZPTYWAVZOOHS-FKIZTMCRSA-N 324.468 3.267 10 10 DGCE CC(C)(C)OC(=O)Nc1cccc([C@@H](N)C(F)(F)F)c1O 1952680065 JFUDJVHGZKLLHL-SNVBAGLBSA-N 306.284 3.301 10 10 DGCE COc1ccc(N2CC[C@@H](NCc3ccccc3F)C2)cc1 850345557 DUOFQGHBFPXQMW-OAHLLOKOSA-N 300.377 3.203 10 10 DGCE C[C@@]1(CCNC(=O)NCc2cc(Cl)ccc2O)CC1(F)F 852584083 HQFNIYLPUZLBTL-CYBMUJFWSA-N 318.751 3.280 10 10 DGCE C[C@H](NCc1c(C(F)(F)F)cnn1C)c1ccc(F)cc1O 858452607 MTGCRKIGSVPRTH-QMMMGPOBSA-N 317.286 3.134 10 10 DGCE Fc1cc(CNC[C@@H]2CC[C@H]3C[C@H]3C2)ccc1N1CCOCC1 858205135 RTEGVCSSPXAVEJ-HYVNUMGLSA-N 318.436 3.188 10 10 DGCE C[C@H]1C[C@@H](NCc2ccc(N3CCCCC3)cc2)c2ncnn21 850352412 VAQXDODHEZLJAM-WMLDXEAASA-N 311.433 3.064 10 10 DGCE C[C@H](NC(=O)NC[C@@H](C)c1nccs1)c1ccccc1O 868498119 IYJWYFBRFPNIPJ-MNOVXSKESA-N 305.403 3.013 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)OCc1ccn(C)n1 780502681 VWNZLAKFBBXCTE-UHFFFAOYSA-N 315.398 3.246 10 10 DGCE Oc1c(F)cccc1CN[C@H]1CCCN(Cc2ccccc2)C1 393408212 VGQIQVBFEKZRDG-KRWDZBQOSA-N 314.404 3.286 10 10 DGCE CN(C[C@@H]1CCCS1)c1ccc(CO)c(Br)c1 718347477 AAAGPDIOFAWNED-LBPRGKRZSA-N 316.264 3.273 10 10 DGCE C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)NCc1cc(Cl)ccc1O 1248715137 HHMWQJWOOHKPTO-XYHOJCAOSA-N 308.809 3.137 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccc(N)cc2)C1(C)C 1904966229 NKLFKZRKCHJGIC-OAHLLOKOSA-N 319.449 3.146 10 10 DGCE O=C(O)C=Cc1ccc(N2C[C@H]3CC[C@@H]3C2)cc1Br 1911867720 YQEXECJQQAHMKV-VXGBXAGGSA-N 322.202 3.393 10 10 DGCE CCSc1cccnc1C(=O)NCc1cccc(Cl)c1O 1457034437 GBWQNXXAZFMVDT-UHFFFAOYSA-N 322.817 3.483 10 10 DGCE COc1cccc(C(=O)NCc2cccc(Cl)c2O)c1F 1457034511 HHKDDTKQTHVIQI-UHFFFAOYSA-N 309.724 3.123 10 10 DGCE CCC[C@@H]1C[C@H]1C(=O)N1CCN(c2ccc(OCC)cc2)CC1 1466210712 OUOAUQIISORMTD-CRAIPNDOSA-N 316.445 3.170 10 10 DGCE c1cc2c(cc1CN[C@H]1CCCN3CCCC[C@H]13)CCCO2 1461608278 UVJINHDJJFXWNA-ZWKOTPCHSA-N 300.446 3.118 10 10 DGCE CC(=O)c1cc(F)cc(CN2CC(F)(F)CC[C@@H]2C)c1O 1473880190 SXRJFSSEQRDVIE-VIFPVBQESA-N 301.308 3.354 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2ccc3ccccc3c2O)c1 1645800854 WQFYVLVFMKIBJI-UHFFFAOYSA-N 307.349 3.489 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)c1ccoc1C1CC1 1643283387 SVCAOXVOQMWBSA-UHFFFAOYSA-N 308.337 3.341 10 10 DGCE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H](N)c1ccccc1O 1928477629 WZMPWXJXCIYUKT-UKRRQHHQSA-N 306.406 3.182 10 10 DGCE CCCCN(O)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C 1686826347 GHCVMDZUPLHJMY-AWEZNQCLSA-N 307.438 3.193 10 10 DGCE CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(\C)NC1CCCC1 17030681 MVISSNWNCDUSEQ-LFIBNONCSA-N 301.365 3.354 10 10 DGCE CN1C(=O)COc2cc(/N=N/N3CCc4ccccc4C3)ccc21 1860487481 AIJLPLZYTCJENS-FMQUCBEESA-N 322.368 3.099 10 10 DGCE N[C@@]1(c2ccccc2O)C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 1938309881 PABYWNRXPPHLKM-XEMDLRDOSA-N 308.425 3.373 10 10 DGCE C[C@@H](CCCCCO)NCc1c(O)cccc1Br 1969753166 SJNIZBLOURONRP-NSHDSACASA-N 316.239 3.186 10 10 DGCE Cc1cccc(O)c1CNCCC1(NC(=O)OC(C)(C)C)CC1 1972559823 MZOQYQRCXVOJMN-UHFFFAOYSA-N 320.433 3.238 10 10 DGCE C[C@@H](CCNC(=O)OC(C)(C)C)[C@@H](O)c1ccc(N(C)C)cc1 1977957528 GHQUUAJYMJBYKW-XJKSGUPXSA-N 322.449 3.337 10 10 DGCE CN(C(=O)NCCCOCc1ccccc1)c1ccc(N)cc1 1981608509 KMXYYCPPAQAMHX-UHFFFAOYSA-N 313.401 3.022 10 10 DGCE C[C@H](O)CN(Cc1ccccc1)c1c(F)cc([C@@H](C)O)cc1F 1990406854 OAFVNHHWRCUZTP-QWHCGFSZSA-N 321.367 3.406 10 10 DGCE OCc1ccc(N2CC[C@@H]3[C@@H](C2)C3(F)F)cc1Br 2034636392 OKLXJKFEVNAZHA-GHMZBOCLSA-N 318.161 3.033 10 10 DGCE CN(Cc1c(O)cccc1Br)[C@@H]1CCOC1(C)C 2036279299 JJFRIBMNWPFZDR-CYBMUJFWSA-N 314.223 3.154 10 10 DGCE COC(C)(C)CN(C)c1ccc([C@@H](C)N)cc1Br 404326333 SWKSCEDWYDYPDX-SNVBAGLBSA-N 315.255 3.330 10 10 DGCE C[C@H](O)c1ccc(N2CCS[C@@H]3COCC[C@@H]32)cc1Cl 2170505228 ODXPPBYUTMAFBB-NZVBXONLSA-N 313.850 3.104 10 10 DGCE C[C@@H](NCc1cc(Br)ccc1O)[C@@H]1CCCCO1 379179828 ORCBFHPGFAWNDQ-YGRLFVJLSA-N 314.223 3.202 10 10 DGCE CC(C)OCCCN(C)c1ccc(CN)cc1Br 394860382 QOFBJIPPAFTQIK-UHFFFAOYSA-N 315.255 3.159 10 10 DGCE C[C@@H](NCc1csc(C(F)F)n1)c1cc(O)ccc1O 2188735020 HZDJBFLGOJVAIB-SSDOTTSWSA-N 300.330 3.343 10 10 DGCE C[C@H](N)c1ccc(N(C)Cc2ccon2)c(Br)c1 2042309629 CUVATIWISFVDRY-VIFPVBQESA-N 310.195 3.093 10 10 DGCE CN(Cc1c(O)cccc1Cl)[C@H]1CO[C@@H](C(F)(F)F)C1 2185543091 ODNJGRFYWPKZSJ-PRHODGIISA-N 309.715 3.197 10 10 DGCE CCN(Cc1ccc(Br)cn1)c1ccc(CN)cc1 2087495144 OYDZQBJNPAQKNZ-UHFFFAOYSA-N 320.234 3.329 10 10 DGCE CNCc1ccc(N(C)Cc2cccn2C)cc1Br 2114542694 SJUZPJJWBUUBKW-UHFFFAOYSA-N 322.250 3.143 10 10 DGCE C[C@H](O)c1ccc(N(C)Cc2cc(Br)cn2C)cc1 2114686469 MZNSTJPTRNONGO-NSHDSACASA-N 323.234 3.477 10 10 DGCE COc1ccc(Br)c(CN[C@H]2CC2(C)C)c1O 2214869631 XBHRPAQFHYPDMN-NSHDSACASA-N 300.196 3.051 10 10 DGCE CC[C@@]1(C)C[C@H]1NCc1c(Br)ccc(OC)c1O 2220463196 XTOYIQVMLVIPBI-OCCSQVGLSA-N 314.223 3.442 10 10 DGCE Nc1ccc(Oc2cccc(Br)c2[N+](=O)[O-])nc1 2223928112 CMDOJIAJLYGKSS-UHFFFAOYSA-N 310.107 3.127 10 10 DGCE COCCNCc1ccc(N(C)CC2(Cl)CC2)c(Cl)c1 2237990733 VTAQBDCTPSUTNA-UHFFFAOYSA-N 317.260 3.284 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNCC12COCC(C1)C2 2228119309 ZQFVOWRFMPQKPC-UHFFFAOYSA-N 302.201 3.215 10 10 DGCE CCNCc1ccc(N2CC[C@H](OC(F)F)C2)c(Cl)c1 2238880666 NXVAPLOWAPOEFD-NSHDSACASA-N 304.768 3.267 10 10 DGCE CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NC1CC1 2293188360 ZWGQWKNIGRXKOK-UHFFFAOYSA-N 312.398 3.045 10 10 DGCE C[C@@H](O)c1ccc(N2CCc3ncsc3CC2)c(Cl)c1 2287052703 XLPDKONDONKVRL-SNVBAGLBSA-N 308.834 3.455 10 10 DGCE CC1(C)OC(=O)C(=CNc2cc(Cl)cc(Cl)c2)C(=O)O1 100247255 QTFNGQSNAVDGCG-UHFFFAOYSA-N 316.140 3.125 10 10 DGCE COc1ccc(CNc2ccnn2Cc2ccc(C)o2)c(O)c1 120035683 POQJYNLBTPOVRF-UHFFFAOYSA-N 313.357 3.159 10 10 DGCE O=C(O)[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C12CCC2 2364849607 AERNBAYHFYTEHC-JTQLQIEISA-N 316.184 3.138 10 10 DGCE CCCCCOCC(=O)NCc1c(O)ccc2c1CCCC2 75159777 WZUBMSKWSWJXRR-UHFFFAOYSA-N 305.418 3.094 10 10 DGCE CC[C@H](NC[C@@H](CC)CO)c1cc(Br)ccc1O 1964486845 UDHUAPJCOXQFTE-MFKMUULPSA-N 316.239 3.214 10 10 DGCE CCNCc1ccc(OC)c(CN(C)CCC(F)(F)F)c1 88418417 ZBAFGVLGPPPAPR-UHFFFAOYSA-N 304.356 3.189 10 10 DGCE CN(C)c1ccc(CN2CC[C@H](CNc3ccccn3)C2)cc1 92812383 CNNFCYVUAMLNRK-QGZVFWFLSA-N 310.445 3.082 10 10 DGCE CCO[C@@H]1C[C@H](N[C@H](CC)c2ccccc2O)C12CCOCC2 248544580 DPXQHJOQHMZNNR-BPQIPLTHSA-N 319.445 3.407 10 10 DGCE O=C(/C=C/c1ccc(Br)o1)NCc1ccccc1O 701133679 WCYUZFPYBNVWFF-SOFGYWHQSA-N 322.158 3.077 10 10 DGCE OC[C@@H]1C[C@H]2CC[C@H]1N2Cc1ccc(N2CCCCC2)cc1 290879565 KSWUASSKTIMGMM-QXAKKESOSA-N 300.446 3.022 10 10 DGCE COC[C@@H]1CCN1C(=O)c1cc(C)n(-c2ccccc2C)c1C 817809120 OCBHPTHHTOXPBA-INIZCTEOSA-N 312.413 3.263 10 10 DGCE C[C@@H](O)[C@H](NCc1cc(Cl)c(F)cc1O)c1ccccc1 827855457 DIMBBWYAQSXKTH-HWPZZCPQSA-N 309.768 3.396 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCc3ccccc3[C@@H]2CO)cc1 835029834 SXJHTZKMTOTFSC-RMUOZIPVSA-N 322.452 3.358 10 10 DGCE Cc1cccc(/C=C\C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 588506392 APTOUCJWGUWTAS-IUCKJTJTSA-N 311.381 3.167 10 10 DGCE CCn1c(/C(Cl)=C\c2cn(C)nn2)nc2cc(F)ccc21 741468601 WNERGABKGWKVNA-YRNVUSSQSA-N 305.744 3.061 10 10 DGCE CCO[C@@H]1C[C@@H](N[C@H](C)c2ccc(N(C)C)cc2)[C@@H]1SC 842922709 CEVOLLDJNUUHDA-YYQUZTFQSA-N 308.491 3.312 10 10 DGCE CC(C)[C@H]1C[C@@]1(NC(=O)OC(C)(C)C)c1ccc(N)cc1O 1952989129 MFBDWFLUJNOOHU-CXAGYDPISA-N 306.406 3.370 10 10 DGCE C[C@H](N[C@H]1CCc2cc(N)ccc21)c1cc([N+](=O)[O-])ccc1O 854227207 UIGSXWLWWPLQDF-QFYYESIMSA-N 313.357 3.221 10 10 DGCE Oc1ccc(-c2ccccc2)cc1CN[C@@H]1C[C@@H](O)C12CCC2 850388281 KQSZXONWBVNWOT-RTBURBONSA-N 309.409 3.452 10 10 DGCE COc1ccc(O)c(CN[C@H](c2nccs2)C(F)(F)F)c1 862431034 BYARUWFKVOWISY-LLVKDONJSA-N 318.320 3.251 10 10 DGCE CN(CCCN=[N+]=[N-])[C@H]1CCN(C(=O)OCc2ccccc2)C1 1954206663 KBLYPTUSSMBFEQ-HNNXBMFYSA-N 317.393 3.030 10 10 DGCE CC(C)C[C@H]1C(=O)N([C@@H](C)c2ccc(N(C)C)cc2)C(=O)N1C 761576025 AAYDJZOMXKAUBS-BBRMVZONSA-N 317.433 3.122 10 10 DGCE O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21 864862000 IFVXLCQSZZBKLX-QFACEVIFSA-N 310.441 3.195 10 10 DGCE CN(Cc1ccc(Cl)cc1)Cc1cc2c(cc1O)OC[C@@H]2O 768439049 YVTPZGPBKCAVSP-INIZCTEOSA-N 319.788 3.103 10 10 DGCE Cc1cncc(/C=C/C(=O)N2CCOc3ccc(Cl)cc32)c1 772152444 QXDFRSRBSDAWRP-GORDUTHDSA-N 314.772 3.482 10 10 DGCE CN(Cc1ccns1)Cc1cc(Br)ccc1O 895453903 SJFIVTHWZLUMMP-UHFFFAOYSA-N 313.220 3.243 10 10 DGCE Oc1c(Br)cccc1CNCC(F)(F)C(F)F 191772035 GQKPSQYWJOIDCG-UHFFFAOYSA-N 316.092 3.145 10 10 DGCE OC[C@H](NCc1c(O)ccc(Cl)c1F)c1ccsc1 790989457 DCRVKBDQFMVYFQ-NSHDSACASA-N 301.770 3.069 10 10 DGCE CCNCc1ccc(N2CC[C@H]3C[C@H]3C2)cc1Br 711019900 XQVJPVFLFRWEII-AAEUAGOBSA-N 309.251 3.405 10 10 DGCE CN(C)c1ccc(CNCc2ccnn2-c2ccccc2)cc1 790466856 UDCLBFFCYPGLBZ-UHFFFAOYSA-N 306.413 3.228 10 10 DGCE CCCN1CCC[C@H]1C(=O)NCc1c(O)ccc2ccccc12 1179030037 XLUDTDZSMQQWFC-KRWDZBQOSA-N 312.413 3.036 10 10 DGCE Oc1c(F)cc(Br)cc1CN[C@@H]1C=CCCC1 1657465536 HSLDVKOPJSNAQH-LLVKDONJSA-N 300.171 3.492 10 10 DGCE Oc1ccc(Br)cc1CNc1ccc2cncn2c1 2131243087 UHLWYYGYUWNTRU-UHFFFAOYSA-N 318.174 3.415 10 10 DGCE CC(C)(C)OC(=O)N[C@H](CNCc1ccccc1O)C(C)(C)C 1900265101 ZTFDGWFWQCKIDI-OAHLLOKOSA-N 322.449 3.421 10 10 DGCE Oc1c(Br)cc(Cl)cc1CN[C@H]1C[C@@H](F)C1 1905031713 FWLHXIIVUUTQGI-DTORHVGOSA-N 308.578 3.398 10 10 DGCE CO[C@H]1C[C@H](CF)N(Cc2cc(Cl)cc(Cl)c2O)C1 2133721562 CZJZWAVHZROUPL-MNOVXSKESA-N 308.180 3.258 10 10 DGCE Cc1ccc(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)nn1 1287660332 HOOOCEXXUUWYSO-UHFFFAOYSA-N 320.396 3.123 10 10 DGCE COC1CC(N(C)c2ccc([C@@H](C)N)c(Br)c2)C1 1914799803 NZQUQNUMZGFETB-OIKLOGQESA-N 313.239 3.082 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1cccn2nccc12 1472084964 IUVLDGXBYIWPLH-UHFFFAOYSA-N 317.348 3.123 10 10 DGCE COC(=O)/C=C/c1ccc(N(C)C[Si](C)(C)C)c([N+](=O)[O-])c1 1612950168 HWAAGLDIWBJPOW-VQHVLOKHSA-N 322.437 3.095 10 10 DGCE CC/C(C)=C\C(=O)NCC[C@@H](C)NCc1ccc(OC)c(C)c1 1567214033 JFISKJWGRSUFTR-SYCZXOQXSA-N 318.461 3.344 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@H](C)c2ccccn2)cc1 1596579271 ZXBMKEXHAPHNBI-OAHLLOKOSA-N 311.429 3.348 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNCC1CC2(CC(O)C2)C1 1972734140 VXZRBHWTJLZGSF-UHFFFAOYSA-N 316.228 3.340 10 10 DGCE CCN(C[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(N)cc1 1977966968 AQGDNPMLVJPYPF-MRXNPFEDSA-N 319.449 3.495 10 10 DGCE C[C@@H](NC[C@@H]1C=CCN1C(=O)OC(C)(C)C)c1ccccc1O 1992540111 LGLVQTHIHXQKOQ-KGLIPLIRSA-N 318.417 3.218 10 10 DGCE COc1ccc([C@@H](C)N[C@H]2CCCC3(CC2)OCCO3)c(O)c1 2152100756 MRAPWNWAMIEVJJ-KGLIPLIRSA-N 321.417 3.127 10 10 DGCE C[C@H]1C[C@@]1(F)CN(C)c1ccc(CO)c(Br)c1 2025732737 PKKIPMACYXUNQG-TVQRCGJNSA-N 302.187 3.126 10 10 DGCE N[C@H](c1ccccc1O)[C@@H](O)c1cc(Cl)sc1Cl 2031158827 KDGQKACPEASCDA-MNOVXSKESA-N 304.198 3.494 10 10 DGCE COC(=O)c1c(C)nn([C@H](C)c2ccc(C)cc2O)c1Cl 2079109804 UVVPCSPCCWOWPD-SNVBAGLBSA-N 308.765 3.255 10 10 DGCE CCN(c1ccc(CN)c(C(F)(F)F)c1)[C@H]1CCSC1 2170139590 LFYIQINQGVGILR-LBPRGKRZSA-N 304.381 3.496 10 10 DGCE CCc1nn(Cc2ccc(Cl)cc2O)c(N)c1C(F)(F)F 2079647608 KVVGECONFRKVEV-UHFFFAOYSA-N 319.714 3.454 10 10 DGCE CCNCc1ccc(N2C[C@@H](OC)C[C@@H]2CF)cc1Cl 2190232536 MYDABHUNLBAJSY-KGLIPLIRSA-N 300.805 3.013 10 10 DGCE NCc1ccc(N(CC2(Br)CCC2)C2CC2)cc1 2049209276 PKUQXCAHPTWXMS-UHFFFAOYSA-N 309.251 3.432 10 10 DGCE Cn1c(-c2cccc(O)c2O)nc2c(Br)cccc21 2094836565 XATNESPNGYEWEZ-UHFFFAOYSA-N 319.158 3.414 10 10 DGCE COc1ccc(N(Cc2ccccc2)[C@@H](C)CCO)cc1OC 2210905406 LIOQOXMSJJOBDJ-HNNXBMFYSA-N 315.413 3.481 10 10 DGCE C[C@@H](N)Cc1cnc(Sc2nc3cccnc3s2)s1 2268594634 GULFDZPYSHLROD-SSDOTTSWSA-N 308.457 3.189 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)c2cnc(C(F)(F)F)s2)C1 2289275670 XNIQCFJCIBXFFW-LURJTMIESA-N 305.285 3.077 10 10 DGCE CC(C)CN1N=C(c2ccccc2)C(=Cc2cccn2C)C1=O 2332128937 SYLDEAMJEVKXSR-UHFFFAOYSA-N 307.397 3.311 10 10 DGCE CCC1=NN(c2ccc(OC)cc2)C(=O)C1=Cc1ccncc1 2332129532 MDTBVGKAQBZZEB-UHFFFAOYSA-N 307.353 3.286 10 10 DGCE C[C@H](NC(=O)c1cc(Br)ccn1)c1ccccc1O 2336359459 NLOACUMEAYUBAC-VIFPVBQESA-N 321.174 3.041 10 10 DGCE CSc1ncc(CNCc2coc(C(F)(F)F)n2)s1 2342161107 VBAWVMRNCMOBIQ-UHFFFAOYSA-N 309.338 3.162 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)C(=O)Nc1ccc2[nH]ccc2c1 170024171 OPLFIXWOBYHEEZ-NSHDSACASA-N 310.353 3.396 10 10 DGCE CNC(=O)c1ccc(C)c(N[C@H](C)c2cc(F)ccc2O)c1 176984694 QITSDSDSGNPGPJ-LLVKDONJSA-N 302.349 3.372 10 10 DGCE CO[C@H]1CCC[C@H]1OC(=O)c1cc(C)n(-c2ccccn2)c1C 111972636 ACVRGJHQQWVLQI-JKSUJKDBSA-N 314.385 3.213 10 10 DGCE C[C@H]1CN[C@H](C)CN1c1ccc(OC(F)(F)F)c(Cl)c1 401296269 OJACKRLOCHIBGI-BDAKNGLRSA-N 308.731 3.425 10 10 DGCE CC[C@H]1COCCN1c1ccc([C@@H](C)N)cc1Br 61695781 RCTTXNSJOBEKRC-PWSUYJOCSA-N 313.239 3.084 10 10 DGCE C[C@@H](NCCCN1CCCC1=O)c1ccc2ccccc2c1O 184888813 DDGIVBFIWODKHJ-CQSZACIVSA-N 312.413 3.209 10 10 DGCE CO[C@@H]1CC[C@@H](NC(=O)c2cc(C)n(-c3ccccc3)c2C)C1 189178463 MCGWAHCNVSDPEN-NVXWUHKLSA-N 312.413 3.391 10 10 DGCE Cc1ccc(O)c([C@H](C)N[C@@H](C)c2nnc3n2CCCCC3)c1 319814423 JDKHZDIMCLQASB-KBPBESRZSA-N 314.433 3.430 10 10 DGCE O=C(O)[C@](CSc1nccs1)(CC1CCC1)NC1CC1 2366464038 AWGUCEDMCZHGFV-CQSZACIVSA-N 312.460 3.001 10 10 DGCE CCN[C@@H]1CCN(c2cc(Cl)c(OC)cc2OC)[C@H](C)C1 49712018 FTVKSLBYQUMOLE-VXGBXAGGSA-N 312.841 3.324 10 10 DGCE Cc1ccc([C@H](C)NC[C@@H](CC(C)C)N2CCOCC2)c(O)c1 192936007 BSBDPWUFWQMQHO-DLBZAZTESA-N 320.477 3.098 10 10 DGCE COc1cc(Cl)c(N(CC(C)C)C[C@H](C)O)c(OC)c1 2368287915 MBRVUBXRGJBDHX-NSHDSACASA-N 301.814 3.200 10 10 DGCE Cc1ccc(O)c(CN[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)c1 227629818 QLUIJVBWPZPXDQ-GJZGRUSLSA-N 320.433 3.236 10 10 DGCE CC(=O)N(C(=S)N[C@@H]1CCCC[C@@H]1C)c1ccc(N)cc1 242600393 CJVNSAOOOFTTOS-XHDPSFHLSA-N 305.447 3.075 10 10 DGCE CCc1ccc(S(=O)(=O)Nc2cccc(N(C)C)c2)cc1 242831195 FQMMKOPQOJEBAH-UHFFFAOYSA-N 304.415 3.116 10 10 DGCE CCN1CC[C@H](CNCc2cc(-c3ccccc3)ccc2O)C1 263674599 KSDMMNFNQWPBTP-MRXNPFEDSA-N 310.441 3.491 10 10 DGCE C[C@H](N[C@H]1CCOC[C@@H]1C)c1cc(Br)ccc1O 278623290 RQAWNPHASIZDRN-KWBADKCTSA-N 314.223 3.230 10 10 DGCE C[C@H]1CN(c2ccc(CNCc3ccoc3)cc2F)C[C@H](C)O1 727466736 DYDBNTQHTMCFJA-KBPBESRZSA-N 318.392 3.322 10 10 DGCE CCOc1cccc(CNC2CCC(OC(F)F)CC2)c1O 825144433 NJBIVGPHZJBYFY-UHFFFAOYSA-N 315.360 3.431 10 10 DGCE C[C@@H](NC(=O)C(C)(C)c1nccs1)c1ccc(N(C)C)cc1 907491107 ACIHXBJAYKRHJL-GFCCVEGCSA-N 317.458 3.364 10 10 DGCE CN(Cc1cc[nH]n1)Cc1c(O)ccc2oc3c(c12)CCCC3 732665754 SKESBFXLSXKLTI-UHFFFAOYSA-N 311.385 3.372 10 10 DGCE C[C@H]1CN(C/C=C/c2ccc(N(C)C)cc2)C2(CCC2)CO1 846067216 PANXFZOVTQQRFM-NBUZRDOWSA-N 300.446 3.409 10 10 DGCE C[C@H](NCc1cc2c(cc1O)OCO2)C1CCC(F)(F)CC1 848575263 NJGWWLPCOGPOFL-JTQLQIEISA-N 313.344 3.425 10 10 DGCE CC(C)(C)OC(=O)[C@@H]1CC[C@H](N[C@@H]2CCc3cccc(O)c32)C1 842934736 YSIDMZKPAQLEJG-QLFBSQMISA-N 317.429 3.480 10 10 DGCE c1cc(N2CCCCC2)ccc1CN[C@H]1COC2(CCC2)C1 850368414 XPKPMTXUDHBIEO-QGZVFWFLSA-N 300.446 3.478 10 10 DGCE C[C@H](NCCc1cc(F)ccc1F)c1cc([N+](=O)[O-])ccc1O 756638609 VAKYUBAXLXAIEN-JTQLQIEISA-N 322.311 3.472 10 10 DGCE CC(C)CN(CC1CCN(C)CC1)C(=O)Nc1ccc(N)cc1 868162501 IKHIGRSPBDEKBB-UHFFFAOYSA-N 318.465 3.101 10 10 DGCE CC[C@H]1C[C@@H](CN(C)c2ccc(OCCN(C)C)cc2)CCO1 761222688 LHTFZXZEVSESIV-WMZOPIPTSA-N 320.477 3.268 10 10 DGCE CCOCCC1(C(=O)N2Cc3cccc(O)c3C2)CCCC1 871203849 TXOSFOGRGLUSBT-UHFFFAOYSA-N 303.402 3.221 10 10 DGCE Nc1ccc(OCCCn2nncc2-c2cccs2)cc1 62429527 XWNMQLVXEQCRSE-UHFFFAOYSA-N 300.387 3.058 10 10 DGCE CCN1C(=O)/C(=C\c2cccc3cnccc23)SC1=S 782880136 KJGQJDFNPSHSDA-MDWZMJQESA-N 300.408 3.456 10 10 DGCE C[C@H](NC(=O)C[C@@H]1CCC2(CCC2)O1)c1ccc(N(C)C)cc1 890030508 FPVREPFJURGDAH-YOEHRIQHSA-N 316.445 3.422 10 10 DGCE CCN(Cc1cc(Br)ccc1O)CC1(F)CC1 792835970 PAYJZIBDNNIOPN-UHFFFAOYSA-N 302.187 3.479 10 10 DGCE Cc1ccccc1OCCC(=O)NCc1cc(Cl)ccc1O 1165498562 OAXIVRYIWMAULB-UHFFFAOYSA-N 319.788 3.439 10 10 DGCE CN(C)c1ccc(CNC(=O)CC2(C(F)(F)F)CC2)cc1F 1323427361 LLUGEGNWSSBKRV-UHFFFAOYSA-N 318.314 3.241 10 10 DGCE COC(=O)c1cc(OC[C@H]2CCCC(C)(C)O2)ccc1N(C)C 1189977039 FFCYKDZZFQZNFF-CQSZACIVSA-N 321.417 3.266 10 10 DGCE COC(=O)c1cnc(Sc2cc(C)ccc2[N+](=O)[O-])s1 1458391824 KFDNLEPYCTXAID-UHFFFAOYSA-N 310.356 3.298 10 10 DGCE CN(C)c1ccc(CN(Cc2cccc(N(C)C)n2)C2CC2)cc1 1459350017 LRQUNFNGWXJKLQ-UHFFFAOYSA-N 324.472 3.378 10 10 DGCE Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCC[C@H]1C 1612537677 JUUPNMWRBQMDJO-HIFRSBDPSA-N 314.433 3.365 10 10 DGCE CC[C@@H]([C@@H](NC)c1ccccc1O)N(C)C(=O)OC(C)(C)C 1928472720 SZKNQUPXYLPJQR-ZFWWWQNUSA-N 308.422 3.298 10 10 DGCE C[C@@H](NC(=O)c1cn(-c2ccccc2)cn1)c1ccccc1O 1587447681 XSJXEQZIMNEEEO-CYBMUJFWSA-N 307.353 3.069 10 10 DGCE O=C(NCc1c(O)cccc1F)NCC1(C2CCC2)CCC1 1683139977 ZQMYXHKYFMFPNN-UHFFFAOYSA-N 306.381 3.301 10 10 DGCE CCSC[C@@H](C)NCc1cc(Br)ccc1O 164963699 KANLCFDQDCZZTO-SECBINFHSA-N 304.253 3.386 10 10 DGCE CNC(=O)c1ccc(NCc2cccc(Cl)c2O)c(C)c1 165006153 FISYOTMHPHSTDK-UHFFFAOYSA-N 304.777 3.326 10 10 DGCE Cc1cc(O)c(CN2CCN(c3cccc(O)c3)CC2)cc1C 153380071 CRCDIHMJSNJKLU-UHFFFAOYSA-N 312.413 3.037 10 10 DGCE O=C(/C=C/C1CC1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866202466 MBJOSNMPTZLPGK-ZHACJKMWSA-N 317.344 3.367 10 10 DGCE CN(CCCN=[N+]=[N-])C1(CNC(=O)OC(C)(C)C)CCCC1 1962302607 ASDMTSAAALFSFZ-UHFFFAOYSA-N 311.430 3.456 10 10 DGCE COc1ccc(N(C)Cc2nn(C)c(C)c2Br)cc1 1968598831 DKQYOVCFCNSCMN-UHFFFAOYSA-N 324.222 3.136 10 10 DGCE C[C@@H](O)c1ccc(N2CCOC[C@H]2C(F)(F)F)cc1Cl 2150363470 XKXSDFCZZOCYLA-PELKAZGASA-N 309.715 3.161 10 10 DGCE CO[C@@H](C1CC1)C(F)(F)CNCc1cc(Cl)ccc1O 2155496053 WIBGIMVOFIWQBI-ZDUSSCGKSA-N 305.752 3.196 10 10 DGCE NCc1cc(F)c(N2CC[C@@H]2C2CCC2)cc1Br 2028300149 LMIBEVKKPRZJOO-CYBMUJFWSA-N 313.214 3.426 10 10 DGCE N[C@@H]1CC=C(CN2CCCc3ccc(Br)cc32)C1 2028511812 YKDIJUZEZRMHLV-CQSZACIVSA-N 307.235 3.249 10 10 DGCE Oc1cccc(Br)c1CNc1cnn(C2CC2)c1 2035765055 OWNPWYYBBHQBEG-UHFFFAOYSA-N 308.179 3.298 10 10 DGCE C[C@@H]1CCN(Cc2ccc(Br)cc2O)C[C@@H]1F 825440815 LDOORQMCGDKLGI-SKDRFNHKSA-N 302.187 3.335 10 10 DGCE C[C@H](CC1CN(Cc2cc(Cl)cc(Cl)c2O)C1)C(=O)O 2178487033 QIPBRUNIRDAYEK-MRVPVSSYSA-N 318.200 3.242 10 10 DGCE CCc1nn([C@@H](CC)c2ccc(C)cc2O)c(Cl)c1C(N)=O 2079126687 CBGKKEXRVZDYSC-LBPRGKRZSA-N 321.808 3.211 10 10 DGCE O=C(O)C=Cc1ccc(N2C[C@H](F)C[C@@H](F)C2)cc1Cl 2182595926 AHDZUBBYPRAARA-GHMZBOCLSA-N 301.720 3.324 10 10 DGCE CC[C@H](COC)N(C)c1ccc(CNC)c(Br)c1 2047311589 HXMVRNOWWYGYQQ-GFCCVEGCSA-N 315.255 3.030 10 10 DGCE Nc1ccc(NC(=O)Nc2cccnc2Br)cc1 2071567880 DBIBKOQRTAZRSR-UHFFFAOYSA-N 307.151 3.070 10 10 DGCE CN[C@@H](C)c1ccc(N2CC=C[C@@H]2CF)cc1Br 2082870588 JDTVIWGIMRYCBN-CMPLNLGQSA-N 313.214 3.444 10 10 DGCE CC1(C)C[C@H](N)CN(Cc2cc(Cl)cc(Cl)c2O)C1 2090168850 MFDUYJVZYBAQBK-NSHDSACASA-N 303.233 3.258 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)c2cc(Br)co2)CC1 2258129160 UHOSISLMPFIATB-VIFPVBQESA-N 313.155 3.347 10 10 DGCE CC[C@H](CNC(=O)C=Cc1ccc(O)c(O)c1)c1ccccc1 2307987426 BKJMGGLCTQJNSB-OAHLLOKOSA-N 311.381 3.421 10 10 DGCE CCOCCCN1C(=O)C(=Cc2ccccc2)SC1=S 2323791243 HJGIFTSZZCCXGX-UHFFFAOYSA-N 307.440 3.314 10 10 DGCE CNCc1ccc(N(C)C[C@H]2C[C@@H](F)C2)c(Br)c1 2327459831 YAXWDWPELUXTQC-TXEJJXNPSA-N 315.230 3.353 10 10 DGCE Cc1cc(Br)c(O)cc1NCc1ccc(O)c(O)c1 2344282508 NAQGMJXYMOZXEO-UHFFFAOYSA-N 324.174 3.486 10 10 DGCE CC[C@H](C(=O)NC1=NN(c2ccccc2)C(=O)C1)c1ccccc1 8906452 KFHYNYMBWIUEDG-INIZCTEOSA-N 321.380 3.047 10 10 DGCE CN(Cc1ccn(-c2ccc(F)cc2)n1)Cc1ccccc1O 173359342 MRQHPDFVLFVADU-UHFFFAOYSA-N 311.360 3.349 10 10 DGCE CC[C@H](Nc1ccc(S(C)(=O)=O)cc1)c1ccccc1O 21804895 PKCQBYDBQAWHTE-HNNXBMFYSA-N 305.399 3.359 10 10 DGCE CN[C@@H](Cc1ccc(O)c(O)c1)c1nc2ccccc2s1 37239466 KCLUQVFUEBCEPA-LBPRGKRZSA-N 300.383 3.211 10 10 DGCE C[C@H](N[C@H]1CCCn2ncnc21)c1ccc2ccccc2c1O 185662861 SIPOXWFJGGHURO-LRDDRELGSA-N 308.385 3.323 10 10 DGCE COc1ccc(O)c(CN(C[C@@H]2CCCO2)C2CCCC2)c1 180456150 WDPSEMVSKDFQTF-KRWDZBQOSA-N 305.418 3.324 10 10 DGCE CCS(=O)(=O)c1ccc(N[C@H](C)c2ccccc2O)cc1 36982410 OZXKMHUQMXNNJQ-GFCCVEGCSA-N 305.399 3.359 10 10 DGCE Oc1cccc(CNCc2cc(Cl)c(O)c(Cl)c2)c1O 2365590775 IPGKBALFRSZKOJ-UHFFFAOYSA-N 314.168 3.400 10 10 DGCE C[C@H](NC1CCC(Oc2cnccn2)CC1)c1ccccc1O 187206367 JMFNYWUQXFAFRO-NFOMZHRRSA-N 313.401 3.223 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@@H](C)c2ccncc2OC)c1 188796878 LKNXYFWFLUCPQV-RYUDHWBXSA-N 302.374 3.216 10 10 DGCE Cc1ccc([C@H](C)NCCN2CCc3ccccc3C2=O)c(O)c1 191614695 ZJEXINPSHWFYEC-HNNXBMFYSA-N 324.424 3.050 10 10 DGCE CO[C@@]1(C)CCN([C@H](C)c2cc(Br)ccc2O)C1 381134520 ADIWXXVIBAYZMM-YGRLFVJLSA-N 314.223 3.327 10 10 DGCE Cc1ccc(NC(=S)Nc2cccc(N(C)C)c2)c(N)c1 243474449 NKYZWHKVINXSJW-UHFFFAOYSA-N 300.431 3.452 10 10 DGCE CCOc1ccc(O)c(CN[C@H]2CCO[C@H](CC(C)C)C2)c1 271952785 FATGXXDIXAAZMG-DOTOQJQBSA-N 307.434 3.474 10 10 DGCE CCOC(=O)c1c(CN(CC)c2ccc(OC)cc2)noc1C 809957616 QYSXLWWEAMVHOW-UHFFFAOYSA-N 318.373 3.195 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1ccc(Cl)cc1 808094587 AFNCAJBXJLSGFH-UHFFFAOYSA-N 324.804 3.390 10 10 DGCE CC[C@@H](NC1COCCOC1)c1cc(Cl)cc(Cl)c1O 813880844 QVQBUKQWUWBVKO-CYBMUJFWSA-N 320.216 3.155 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)C[C@@H](C)n2cccc2)c1 729535885 WGWLYPNQPHNIAP-OLZOCXBDSA-N 302.374 3.031 10 10 DGCE COc1ccc([C@@H]2C[C@H]2C(=O)N[C@@H](C)c2ccccc2O)cc1 827960651 UANONJLTZRGDJV-AFAVFJNCSA-N 311.381 3.382 10 10 DGCE O=C(COC(=O)[C@@H]1CCCC[C@@H]1C1CC1)c1ccc(O)c(O)c1 829746235 PLCOODYOLKPGMQ-ZIAGYGMSSA-N 318.369 3.040 10 10 DGCE C[C@H](N[C@@H](c1ncccn1)C1CC1)c1cc(F)cc(F)c1O 903326703 MUWKNKVFYZKIBL-LKFCYVNXSA-N 305.328 3.262 10 10 DGCE CCC1(O)CCC(NC/C=C/c2ccc(N(C)C)cc2)CC1 835042399 HLZUMBQYCVPJLA-AATRIKPKSA-N 302.462 3.439 10 10 DGCE CCCNC(=O)CN(C/C=C\c1ccc(N(C)C)cc1)CCC 835027279 JWESUIULQDCYLO-FPLPWBNLSA-N 317.477 3.004 10 10 DGCE COc1ccccc1[C@@H](O)CNCc1c(O)cc(C)cc1Cl 840882453 OHHUSJRUTXLLEP-INIZCTEOSA-N 321.804 3.186 10 10 DGCE COC(=O)[C@H](c1ccccc1C)N1CCCc2cc(CN)ccc21 843349779 BXNJGRZJGXGALW-IBGZPJMESA-N 324.424 3.121 10 10 DGCE COc1cc(CNC2(CCO)CCCC2)c(O)c(C(C)(C)C)c1 850294266 ZYKNMFDFCZUVOL-UHFFFAOYSA-N 321.461 3.483 10 10 DGCE CC[C@@H](NCC[S@@](=O)CC(F)(F)F)c1ccc(C)cc1O 850496240 MKUBLIKZUQCLGW-XUSGNXJCSA-N 323.380 3.052 10 10 DGCE O=C(NCc1ccccc1O)N[C@H](C(F)F)C1CCCCC1 856888691 UPBJPOGHHFRJCG-AWEZNQCLSA-N 312.360 3.405 10 10 DGCE CC[C@@H](CC(C)C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855222825 AZUDLAYSFOBQRU-JKSUJKDBSA-N 318.461 3.462 10 10 DGCE CCC[C@H](C)N(C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 854300875 CHRNECNNIQWNNR-GJZGRUSLSA-N 319.449 3.104 10 10 DGCE C[C@@H](C1CC1)n1cc(NC(=O)NCc2c(O)cccc2F)cn1 930975269 HARBDDQQZCWCJY-JTQLQIEISA-N 318.352 3.021 10 10 DGCE CCS[C@@H](C(=O)NCc1ccc2cccnc2c1O)C(C)C 862027884 IJXLPZARQAUWOT-MRXNPFEDSA-N 318.442 3.334 10 10 DGCE O=C1N[C@@H](c2cc(Cl)cc(F)c2O)Nc2cc(F)ccc21 768266630 WZWWOSJNDVNJNU-ZDUSSCGKSA-N 310.687 3.178 10 10 DGCE CCOC(=O)CN(Cc1cc(Cl)cc(C)c1O)C1CCC1 768530276 GXXAPNFNQNPVTB-UHFFFAOYSA-N 311.809 3.272 10 10 DGCE COc1ccc2c(c1)CCN2CC(C)(C)NC(=O)OC(C)(C)C 761185774 WNSIESXXOZALAD-UHFFFAOYSA-N 320.433 3.361 10 10 DGCE CN(C)c1ccc(CNC(=O)N[C@H]2CCCC(F)(F)C2)cc1 767845357 SHAZPRHQJIEBHA-ZDUSSCGKSA-N 311.376 3.130 10 10 DGCE C[C@]1(C(F)(F)F)CN(Cc2c(O)cccc2Cl)CCO1 712802006 NUPRHABHCHFIQC-GFCCVEGCSA-N 309.715 3.199 10 10 DGCE C[C@@H]1C[C@@H](N(C)Cc2ccc(Br)cc2O)[C@@H](C)O1 691677214 MURXDJRQBKAXAV-GIPNMCIBSA-N 314.223 3.152 10 10 DGCE C[C@@H](NC(=O)c1c[nH]nc1-c1ccsc1)c1ccccc1O 1302532770 QNWHWYIMIPGXAI-SNVBAGLBSA-N 313.382 3.335 10 10 DGCE CC(C)(CNC(=O)NCc1c(O)cccc1F)c1ccccc1 1230768194 QCHNXSZTKVAQKU-UHFFFAOYSA-N 316.376 3.308 10 10 DGCE CC[C@H](N)Cc1cnc(SCCOCCC2CC2)s1 2127763267 KABFLUWBYMETRE-LBPRGKRZSA-N 300.493 3.332 10 10 DGCE CCN(CCN=[N+]=[N-])Cc1sc(Br)nc1C 1900606207 BMPJOPDSLYMXND-UHFFFAOYSA-N 304.217 3.346 10 10 DGCE O=C(/C=C/c1cncc(F)c1)N1CC2(CC2)Oc2ccccc21 1439955804 DODHXJHOIPBLHZ-AATRIKPKSA-N 310.328 3.192 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCC=CO2)cc1 1440675451 RVSTZEXCMXGDFW-QGZVFWFLSA-N 302.418 3.184 10 10 DGCE Cc1cc(CNC(=O)[C@H](O)C(C)(C)C)c(C)n1-c1ccccc1 1454627031 SHUKXGNHCASIMM-KRWDZBQOSA-N 314.429 3.117 10 10 DGCE Clc1ccc(Cl)c(NN=NCCN2CCOCC2)c1 1860491532 MMYZKLFNTGSZEN-UHFFFAOYSA-N 303.193 3.105 10 10 DGCE C[C@@H](NC(=O)c1c(F)ccc(O)c1O)c1c(F)cccc1F 1611666827 CQINUPJMAXMEEM-SSDOTTSWSA-N 311.259 3.006 10 10 DGCE O=C(Nc1cc(Cl)c2c(c1)OCCO2)c1cc(O)cs1 1558873126 JIFYETOUNIJRAK-UHFFFAOYSA-N 311.746 3.131 10 10 DGCE CN(Cc1ccccc1O)C(=O)c1cc(-c2ccccc2)nn1C 1631151460 PAHMIXWYPLVAGQ-UHFFFAOYSA-N 321.380 3.065 10 10 DGCE O=C(NCc1c(O)cccc1F)c1cc2cc(F)ccc2[nH]1 1645045916 MFORTNOQELWONI-UHFFFAOYSA-N 302.280 3.082 10 10 DGCE CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NCc1cc(O)ccc1O 1643882188 PVAYOMBIWUOXHI-PVUWLOKVSA-N 321.417 3.088 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C 1584094300 FGOJOSHLMIJDNU-CJBAZIHXSA-N 314.473 3.400 10 10 DGCE O=C(NCc1cscc1Cl)N1Cc2cccc(O)c2C1 1685314048 DEHCLHRRBZVAMV-UHFFFAOYSA-N 308.790 3.333 10 10 DGCE C[C@H]1CC(NCc2cccc(Br)c2O)C[C@H](C)O1 128901319 BMMPJZFINXTFIA-UWVGGRQHSA-N 314.223 3.200 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@](C)(NCc2c(O)cccc2F)C1 1904025182 SHJMXFKSPSLGKT-QGZVFWFLSA-N 324.396 3.020 10 10 DGCE Cc1ccc(C(=O)NCCN=[N+]=[N-])cc1NC(=O)OC(C)(C)C 1963808880 HLEDEGUTKWKJFL-UHFFFAOYSA-N 319.365 3.382 10 10 DGCE COc1ccc(Br)c(CN[C@@H](C)C2CC2)c1O 1964023360 LNOXEYYUIWBMRJ-QMMMGPOBSA-N 300.196 3.051 10 10 DGCE Cc1cccc(N)c1N[C@H]1C[C@H]2C[C@H]1CN2C(=O)OC(C)(C)C 1977677971 IYWBSFYLEKLLIH-GUTXKFCHSA-N 317.433 3.387 10 10 DGCE CN1CCc2cc([C@@H](O)CCCNC(=O)OC(C)(C)C)ccc21 1977957565 GROQDIISXVXAIF-INIZCTEOSA-N 320.433 3.017 10 10 DGCE CN(C)c1ccc([C@@H](CN)N2CCC(Cl)=C(Cl)C2)cc1 2153617596 ABYYFBWGXIFMLI-OAHLLOKOSA-N 314.260 3.147 10 10 DGCE CCNCc1ccc(N2C[C@H](F)[C@H](F)C2)c(Br)c1 714700619 UJAPIXXISGJKOU-TXEJJXNPSA-N 319.193 3.055 10 10 DGCE CNCc1ccc(N(C)C[C@H]2CCN(Cc3ccccc3)C2)cc1 382766280 FTHOERCNMVOQAA-HXUWFJFHSA-N 323.484 3.364 10 10 DGCE Cc1ccc(O)c([C@H](C)Nc2cnn(C)c2Br)c1 694158890 YTPANLTWJWOHCA-VIFPVBQESA-N 310.195 3.370 10 10 DGCE Cc1ccc(O)c([C@H](C)n2cc(C(=O)OC(C)(C)C)c(O)n2)c1 2070637219 DWJKCMKVMZPKDI-NSHDSACASA-N 318.373 3.167 10 10 DGCE CNCc1ccc(N2C[C@H]3CC=C[C@H]2C3)cc1Br 2057023537 WSYVOJCNSIVRIY-AAEUAGOBSA-N 307.235 3.323 10 10 DGCE COC[C@@]1(C)CCCN1Cc1cc(Br)ccc1O 2084139053 WDIJGTPXQONSGU-CQSZACIVSA-N 314.223 3.156 10 10 DGCE CCn1ncc(Br)c1CN[C@H](C)c1ccccc1O 2094270496 BVEATWQVUXIAFR-SNVBAGLBSA-N 324.222 3.222 10 10 DGCE CC(F)(F)C[C@@H](CO)NCc1cc(Cl)cc(Cl)c1O 2113229046 SSJOVNADPVROPX-VIFPVBQESA-N 314.159 3.195 10 10 DGCE CCCN[C@@](CSc1nccs1)(C(=O)OC)C(C)(C)C 2207883927 INDRTCYQTLNURK-AWEZNQCLSA-N 316.492 3.193 10 10 DGCE CSc1ncc(CNCc2nnc(C(C)(C)C)s2)s1 2208642160 KCNSNYSPQVGHAP-UHFFFAOYSA-N 314.505 3.304 10 10 DGCE c1cnc2nc(Sc3ncc(CNC4CC4)s3)oc2c1 2234022924 ROXSMFWSZGDRCG-UHFFFAOYSA-N 304.400 3.083 10 10 DGCE Oc1ccc(Br)cc1CN[C@@H]1CCC[C@H]1CF 2251062121 WRVZLUFZRBOLPP-JOYOIKCWSA-N 302.187 3.383 10 10 DGCE O=C1C(=Cc2ccc([N+](=O)[O-])s2)SC(=S)N1C1CC1 2323858051 XWTYCCVPJZVGPT-UHFFFAOYSA-N 312.397 3.020 10 10 DGCE CC[C@H](C[C@@H](C)O)NCc1ccc(C)c(Br)c1O 2327631349 PNABZQQPHXXGAP-ZYHUDNBSSA-N 316.239 3.102 10 10 DGCE Cc1ccc(CN(C)C(=O)C(C)(C)C)c(O)c1Br 2327800049 FGVUCUVIOAUHSQ-UHFFFAOYSA-N 314.223 3.468 10 10 DGCE Cc1csc(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)c1Br 1950861286 VVYIEDOUVHARNL-SSDOTTSWSA-N 315.196 3.344 10 10 DGCE Oc1ccsc1-c1nc([C@@H]2CCOc3ccccc32)no1 115851012 UJAOOQFIGPTHBY-SNVBAGLBSA-N 300.339 3.418 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N(C)C[C@H]2CCCO2)cc1 170691896 OGANCBGJBNSGTB-GOSISDBHSA-N 312.413 3.345 10 10 DGCE CC[C@H](C(=O)NCc1ccc(N(C)C)cc1)c1c(C)noc1C 129494616 VCXGEAOGCRQCQF-INIZCTEOSA-N 315.417 3.167 10 10 DGCE C[C@@H](NC[C@H]1COc2ccccc2O1)c1ccc(F)cc1O 315830196 AEBNMSIJYFGFTA-YPMHNXCESA-N 303.333 3.022 10 10 DGCE C[C@H](NCc1cccc(Cl)c1O)c1nnc2n1CCCCC2 317417067 YHOMYQMIQJBOBY-NSHDSACASA-N 320.824 3.214 10 10 DGCE Cc1cc([C@H](C)NC(=O)COc2ccc(N)cc2)c(C)s1 49503753 IIUQBNAWDAPAHW-NSHDSACASA-N 304.415 3.203 10 10 DGCE COc1ccc(CNC(C)C)cc1CSc1nnc(C)o1 81877495 TTYBGSXXVZHVQV-UHFFFAOYSA-N 307.419 3.177 10 10 DGCE CC[C@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2O)CCC1=O 229790876 RXORRDNRODFROW-NSHDSACASA-N 309.793 3.049 10 10 DGCE Cc1nc(C)c(CNCc2cc(Cl)cc(Cl)c2O)[nH]1 724682937 BYZNKVFQMJGXHC-UHFFFAOYSA-N 300.189 3.329 10 10 DGCE CCN(CC)c1ccc(CNC(=O)N2C[C@@H](C)[C@@H]2C)cc1F 838392316 SWFFVXYYKUMDHJ-OLZOCXBDSA-N 307.413 3.222 10 10 DGCE C[C@H](NC[C@H]1CC[C@H](C(F)(F)F)O1)c1c(O)cccc1F 903176585 QOKTVZBHBKXICI-YGOYTEALSA-N 307.287 3.292 10 10 DGCE CCOc1ccc(O)c(CN2C[C@@H](O)C[C@@H]2c2ccccc2)c1 840956127 DDPXPRVMJYXPHP-FUHWJXTLSA-N 313.397 3.099 10 10 DGCE Cc1cccc(CN[C@@H](C[C@@H]2CCCO2)C(F)(F)F)c1O 848927786 NQBKXXUZDAJCFP-STQMWFEESA-N 303.324 3.290 10 10 DGCE CCCc1ccc(O)c([C@H](CC(=O)O)NC(=O)OC(C)(C)C)c1 687752718 MFPAAYBOINNFSI-ZDUSSCGKSA-N 323.389 3.385 10 10 DGCE CN(C)c1ccc(CN2Cc3cnn(C)c3CC(C)(C)C2)cc1 854058189 HKJREKMPXBQJPZ-UHFFFAOYSA-N 312.461 3.071 10 10 DGCE C[C@H](N[C@@H]1C[C@@H](O)C12CCC2)c1cc2c(cc1O)CCCC2 850547770 WAFZDMJSCDSHDO-JBBXEZCESA-N 301.430 3.225 10 10 DGCE C[C@H](N[C@@H]1C[C@@H](O)C12CCC2)c1cccc(C(F)(F)F)c1O 850547252 SHMIKZJNZNUJAD-ZWKOPEQDSA-N 315.335 3.365 10 10 DGCE C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1ccncc1 864786347 RZHABAIBAAPBSW-HNNXBMFYSA-N 323.440 3.442 10 10 DGCE CC(C)(C)[C@H](NC(=O)NCc1c(O)cccc1F)C(F)(F)F 930905304 RBGNTEKPYDEGDS-NSHDSACASA-N 322.302 3.308 10 10 DGCE COCCOc1ccc(CN2CCc3cc(OC)ccc32)cc1 772600158 VHLHCQQBSNJXKY-UHFFFAOYSA-N 313.397 3.283 10 10 DGCE Oc1cccc(NC[C@H]2CCN(c3ccc4c(c3)OCO4)C2)c1 76439844 LCAINNVZZQCQDP-CYBMUJFWSA-N 312.369 3.059 10 10 DGCE C[C@@H]1C[C@@H](N(C)Cc2c(O)cccc2Br)CCO1 721484333 XUDGEEQBDJUXON-MNOVXSKESA-N 314.223 3.154 10 10 DGCE COc1ccc(CNC(=O)N[C@H]2CCCC[C@H]2C(C)C)c(O)c1 792981582 XPPZLQPUJBIFNZ-HOTGVXAUSA-N 320.433 3.415 10 10 DGCE OCCc1cccc(NCc2ccc(Br)cc2O)c1 691396632 URLPUJFUZIVEGT-UHFFFAOYSA-N 322.202 3.302 10 10 DGCE O=C(O)c1ccc(NCc2ccc(Br)cc2O)cc1 691439727 JPQWPYJAPDSIDT-UHFFFAOYSA-N 322.158 3.465 10 10 DGCE C[C@H](NC(=O)c1cccc(Br)n1)c1ccccc1O 1642831259 UZRQUPNJHOVUQZ-VIFPVBQESA-N 321.174 3.041 10 10 DGCE CN(Cc1ccccc1)c1ccc(C=CC(=O)O)cc1[N+](=O)[O-] 1911706222 STABBELCRUIZJV-UHFFFAOYSA-N 312.325 3.329 10 10 DGCE Cc1nn(CCCCN=[N+]=[N-])c(C)c1I 1912188082 MAVOXCMHNDFTFX-UHFFFAOYSA-N 319.150 3.195 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN(Cc2ccc(Br)cn2)C1 1912163368 IUEFCTAZHGABIG-SNVBAGLBSA-N 310.199 3.366 10 10 DGCE C[C@@H](CNCc1cc(Cl)cc(Cl)c1O)N1CCCC1 112017016 DSYNSPBHCUGRIM-JTQLQIEISA-N 303.233 3.273 10 10 DGCE C[S@](=O)(=NC(=O)c1cc(O)cs1)c1cccc(Cl)c1 1558773874 BENOOFGCUSXZCG-LJQANCHMSA-N 315.803 3.404 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CC2CCC1CC2 1623574498 PSBKLJBXCQYGTM-JXQTWKCFSA-N 308.418 3.320 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(C)c(C)c1O 1636058905 WEDAJQIDCKJZNF-UHFFFAOYSA-N 320.385 3.130 10 10 DGCE CC1CC(CNC(=O)N(C)Cc2ccc(N3CCCC3)cc2)C1 1565125372 PUADRBANZNKXPR-UHFFFAOYSA-N 315.461 3.474 10 10 DGCE Cc1ccnc(COCc2ccc(N)cc2)c1Br 1926844998 LTMPECMLQHGXHA-UHFFFAOYSA-N 307.191 3.452 10 10 DGCE Cc1cc(C)c(CNC(=O)c2c(F)ccc(O)c2O)c(C)c1 1641146859 RSJTVSXDIWSORW-UHFFFAOYSA-N 303.333 3.092 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]([C@@H](N)c1ccccc1O)C1(C)CC1 1930444373 MDBPJBCDTLFZDI-KBPBESRZSA-N 306.406 3.085 10 10 DGCE COc1ccc(CN[C@H](C)CNC(=O)CCC2CCC2)cc1C 1690564671 STGJTQNEEOVDDX-OAHLLOKOSA-N 318.461 3.178 10 10 DGCE O=C(CCn1c2c(c3ccccc31)CCCC2)N1CCSC1 1852447952 WJSAMDWQMLGSSV-UHFFFAOYSA-N 314.454 3.443 10 10 DGCE CC[C@@H]1C[C@H](NCc2cc(Br)ccc2O)CCO1 824376767 NUOQWSHYYPAAKX-CHWSQXEVSA-N 314.223 3.202 10 10 DGCE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1CCCN=[N+]=[N-] 1962287142 FUFHBQKJRBKBPW-STQMWFEESA-N 311.430 3.455 10 10 DGCE Oc1c(Br)cccc1CNCc1cc(C2CC2)n[nH]1 1963623882 FTVXKAGQEWFRBA-UHFFFAOYSA-N 322.206 3.045 10 10 DGCE CC[C@@H]1COCCN(Cc2c(O)cccc2Br)C1 1964593479 GTFQWCXXZVRVKV-NSHDSACASA-N 314.223 3.013 10 10 DGCE C[C@H]1CN(c2ccc(N)cc2)C[C@@H]1CCNC(=O)OC(C)(C)C 1977890052 CTGJDFKUNFEHDV-KBPBESRZSA-N 319.449 3.256 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@H](F)C[C@H]2C)cc1Br 1997691125 HNJMSEVDVOBWFH-OPRDCNLKSA-N 302.187 3.439 10 10 DGCE CS(=O)(=O)c1cccc(NCc2cccc(Cl)c2O)c1 165020397 GLXDURLEWLNEPH-UHFFFAOYSA-N 311.790 3.061 10 10 DGCE [N-]=[N+]=NCC1CCN(C[C@]2(Br)CC2(F)F)CC1 2023775971 LXRWVDXBPMHYIC-SECBINFHSA-N 309.158 3.181 10 10 DGCE C[C@@H]1O[C@H](C)C[C@@H]1N(C)Cc1cc(Br)ccc1O 395069007 XRVLTYRNMKUVAT-NRUUGDAUSA-N 314.223 3.152 10 10 DGCE CCCOc1cc(N2CCSCC(F)(F)C2)ccc1N 2193347220 USUFWFFUDDIKJL-UHFFFAOYSA-N 302.390 3.246 10 10 DGCE CN(Cc1c(O)cccc1Cl)[C@H]1CO[C@H](C(F)(F)F)C1 2185543090 ODNJGRFYWPKZSJ-PELKAZGASA-N 309.715 3.197 10 10 DGCE Nc1c(Br)cccc1NCCc1ccc(O)c(O)c1 2091750420 FJJPDLRNTXFEEU-UHFFFAOYSA-N 323.190 3.097 10 10 DGCE CN[C@H](c1ccccc1O)[C@H](O)c1cccc(Br)c1 2091859597 PHTQOTAPBPFEHW-HUUCEWRRSA-N 322.202 3.149 10 10 DGCE CC[C@H](NCCC1(O)CC1)c1cc(Br)ccc1O 2219927717 MTBCEEBORSUVAA-LBPRGKRZSA-N 314.223 3.110 10 10 DGCE C[C@@H](N)c1cc(F)c(N2CC(SC(F)(F)F)C2)c(F)c1 2237485284 WHTFKCQSCFSJHU-ZCFIWIBFSA-N 312.307 3.426 10 10 DGCE Cc1cc(C)c(S(=O)(=O)Nc2c(C)cc(O)cc2C)s1 2239726173 OYTUYDZPHLFFHI-UHFFFAOYSA-N 311.428 3.488 10 10 DGCE CC(C)(C)OC(=O)N[C@]1(C)CC[C@@]1(C)[C@@H](N)c1ccccc1O 2245356734 FONXAYMYNCGPPJ-JCGIZDLHSA-N 320.433 3.476 10 10 DGCE CSc1ncc(CN[C@H]2[C@H](CN)CCCC23CCC3)s1 2284701928 DUGQXMHULKAJTF-AAEUAGOBSA-N 311.520 3.252 10 10 DGCE COC[C@@H](C)CN(C)Cc1ccc(C)c(Br)c1O 2327796309 FISIMGCXMOSRCJ-JTQLQIEISA-N 316.239 3.177 10 10 DGCE CCN[C@H](CC1(C)OCCO1)c1ccc(N2CCCC2)cc1 2353348288 NSDBRBIFZGCQTA-QGZVFWFLSA-N 304.434 3.091 10 10 DGCE CC[C@H](c1cc(Br)ccc1O)N1CC[C@H](N)[C@@H]1C 310668264 HJXKJLAHXFLLQL-TVYUQYBPSA-N 313.239 3.027 10 10 DGCE O=C1N=C(Nc2ccccc2)S/C1=C/c1cnc2ccccn12 119117051 JMXQVCOHDOZQGJ-GXDHUFHOSA-N 320.377 3.417 10 10 DGCE CC[C@H](N[C@@H]1CCc2nnc(C(C)C)n2C1)c1ccccc1O 186325476 WKMKCIISZPDSAJ-HIFRSBDPSA-N 314.433 3.163 10 10 DGCE C[C@@H]1SCC[C@H]1NCc1cc(OC(F)(F)F)ccc1O 2361044295 WWOFGDNIIJKIRT-GZMMTYOYSA-N 307.337 3.274 10 10 DGCE CC(=O)Nc1ccc(SCCOc2ccc(N)cc2)cc1 36672160 OGGFUMWZZZYPFW-UHFFFAOYSA-N 302.399 3.398 10 10 DGCE Oc1ccccc1CN[C@H]1CCC[C@H](OCC(F)(F)F)C1 37152942 GAUAXBPPQBIGKO-STQMWFEESA-N 303.324 3.372 10 10 DGCE CCOC(=O)c1c(C)n(C)c2cc(-c3cccnc3)c(O)cc12 75567742 HUNYEDPIXHPQGP-UHFFFAOYSA-N 310.353 3.431 10 10 DGCE COc1ccccc1/N=N\c1c(CC(=O)O)nc2ccccn12 71581231 GBNQCCSCMWTHTG-HNENSFHCSA-N 310.313 3.385 10 10 DGCE CC(C)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)c1ccccc1O 227190816 JRKNTLQPVJVFRW-ZDUSSCGKSA-N 309.362 3.163 10 10 DGCE CC(C)(C)OC(=O)Nc1ccc([C@H](CO)N=[N+]=[N-])cc1[N+](=O)[O-] 1951354334 IRYTYDFAKKJOIU-JTQLQIEISA-N 323.309 3.286 10 10 DGCE CCOc1cccc(CN2CCO[C@@H](c3ccsc3)C2)c1O 93768340 RLNSGULKCYGMDS-MRXNPFEDSA-N 319.426 3.426 10 10 DGCE C[C@H](O)[C@H](N)c1cc(Cl)c(OCc2ccccc2)cc1O 95770156 WEKYIPHQNLFCDB-QFYYESIMSA-N 307.777 3.005 10 10 DGCE COc1cccc(CN2CCC(C3CCOCC3)CC2)c1O 93705113 SYHBBKMLDDQFRR-UHFFFAOYSA-N 305.418 3.039 10 10 DGCE CCN(C)c1ccc([C@@H](C)N[C@H](C)Cc2cc(C)[nH]n2)cc1 246428510 NRVPRXVQTSWTIU-UKRRQHHQSA-N 300.450 3.456 10 10 DGCE Oc1ccc(F)cc1CN[C@H]1CCOC2(CCSCC2)C1 272386408 IICAIRVCYDYVFN-AWEZNQCLSA-N 311.422 3.066 10 10 DGCE CN(C(=O)/C=C/c1ccc(Br)o1)c1ccc(N)cc1 702120880 OXNWVECWKIIEFJ-VQHVLOKHSA-N 321.174 3.301 10 10 DGCE COCC[C@H](COC)N[C@@H](C)c1cc(Cl)c(Cl)cc1O 810258023 XZXNVVJQFKYACQ-VHSXEESVSA-N 322.232 3.401 10 10 DGCE CCN(CC)c1ccc(CN2CCC[C@H](C)[C@H]2C(=O)O)cc1F 818631095 CDUFEHMWMZILSC-GUYCJALGSA-N 322.424 3.357 10 10 DGCE CCN(CC)c1ccc(CNC(=O)N2CC[C@@H]2C2CC2)cc1 837726397 YKIDDYQQCGZVCG-QGZVFWFLSA-N 301.434 3.227 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccn(C)c1C 839921838 NNJOQKKAAMBKJN-AWEZNQCLSA-N 313.445 3.069 10 10 DGCE O=S(=O)(/C=C\c1ccc(Cl)cc1)Nc1ccc(O)cc1 916106468 LUTFIJDHXGQEPB-KTKRTIGZSA-N 309.774 3.458 10 10 DGCE Cc1cc(Cl)cc(CN[C@H]2CCCN3CCCC[C@H]23)c1O 848928013 UCLPATMISMCRMO-JKSUJKDBSA-N 308.853 3.461 10 10 DGCE CCOc1ccc(O)c(CN[C@H](c2cnn(C)c2)C(C)C)c1 922893411 HELPDLYEGPDYGD-KRWDZBQOSA-N 303.406 3.011 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2C[C@H]3C=C[C@H]2CC3)c1 927816506 QBFRBJFCLBAUJB-WFGGJUAMSA-N 316.401 3.116 10 10 DGCE CC[C@@H]1C[C@@H](CN[C@@H]2CCN(c3ccc(OC)cc3)C2)CCO1 850347328 QILLTNOCTFANHT-LZLYRXPVSA-N 318.461 3.069 10 10 DGCE COc1cccc(CNC(=O)N[C@@H](C)c2ccccc2O)c1C 868792071 YMUFWATUSLRLNA-ZDUSSCGKSA-N 314.385 3.270 10 10 DGCE CC[C@H](NCCC[C@@H]1CCOC1=O)c1cc(Cl)ccc1O 872112895 LQJFAVNQJDQHGC-RISCZKNCSA-N 311.809 3.430 10 10 DGCE CCO[C@@H](C)c1ncc(C(=O)N2Cc3cccc(O)c3C2)s1 871203089 RUGCYKWWKGNRGS-JTQLQIEISA-N 318.398 3.102 10 10 DGCE COc1cccc(O)c1CN[C@H](C)[C@H]1Oc2ccccc2[C@@H]1C 773402826 UDIPOUPVONBSPW-QUJCMNEKSA-N 313.397 3.444 10 10 DGCE CN(C)c1ccc(CN[C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)cc1 788978015 LRHICTNWDQXQCT-BHIYHBOVSA-N 302.462 3.438 10 10 DGCE CC(C)C(C)(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 1134883235 ZLCYWWPYKTVTKS-KRWDZBQOSA-N 319.493 3.154 10 10 DGCE Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2Cl)cc1C 70334327 XSTWEWRALLILMQ-UHFFFAOYSA-N 311.790 3.463 10 10 DGCE CN(C[C@H]1C[C@@H]1C1CC1)c1ccc(CO)c(Br)c1 698339739 RGLYGGIXFJTJGM-TZMCWYRMSA-N 310.235 3.424 10 10 DGCE CN(CCN=[N+]=[N-])C(=O)c1ccc(Cl)cc1Br 1912191326 QIELSBASFULPMX-UHFFFAOYSA-N 317.574 3.485 10 10 DGCE CCO[C@H](C(=O)NCc1cc(Cl)ccc1O)C1CCCC1 1300396338 OQJBEMOBTQTWFO-HNNXBMFYSA-N 311.809 3.257 10 10 DGCE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Nc1c(N)cccc1F 1959370390 MBSRYAXFEBGCEB-GXFFZTMASA-N 309.385 3.075 10 10 DGCE Cc1cccc(N)c1N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C 1959369979 JHCWMXYVSCWBGD-OCCSQVGLSA-N 305.422 3.245 10 10 DGCE COC(=O)c1ccc(CNCc2ccc(N3CCCC3)cc2)cc1 1327419928 LPLFDXPOLWVJHZ-UHFFFAOYSA-N 324.424 3.363 10 10 DGCE C[C@@H](NC(=O)c1ncccc1Br)c1ccccc1O 1642827764 QOIYMHJTVKVEKH-SECBINFHSA-N 321.174 3.041 10 10 DGCE C[C@H](NC(=O)NC1C[C@H]2[C@H](C1)C2(F)F)c1ccc(N(C)C)cc1 1327534756 GJOPRZNOHPPCJM-LKTVYLICSA-N 323.387 3.157 10 10 DGCE Cc1ccc(C(=O)Nc2ccc(C(C)(C)C)nc2)c(O)c1O 1180010283 TYTDJAVXIDRGMM-UHFFFAOYSA-N 300.358 3.351 10 10 DGCE CCn1ncc(CN2C[C@@H](C(C)C)Cc3cc(OC)ccc32)n1 1195322784 GSVPICORYLWEOX-HNNXBMFYSA-N 314.433 3.142 10 10 DGCE Cc1nc(Cl)c(Cl)cc1C(=O)N(C)CCCN=[N+]=[N-] 1912155175 GJSVIZBPIWGVIF-UHFFFAOYSA-N 302.165 3.469 10 10 DGCE CN(Cc1ccc(N)cc1)C(=O)c1nc(Cl)sc1Cl 1906801342 QPBGZDJPKDZVGD-UHFFFAOYSA-N 316.213 3.304 10 10 DGCE CCCc1cc(C(=O)Nc2c(Cl)ccc3nonc23)no1 1531533503 MLUQIOCXMDWKHF-UHFFFAOYSA-N 306.709 3.069 10 10 DGCE O=[N+]([O-])c1cc2c(NCc3c(O)cccc3F)ncnc2s1 1612950613 SDXLYVWABAMNCM-UHFFFAOYSA-N 320.305 3.056 10 10 DGCE O=C(c1ccc(OC(F)F)c(F)c1)N1Cc2cccc(O)c2C1 1558036076 SRCGUPNYASWWFC-UHFFFAOYSA-N 323.270 3.289 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1cc(F)ccc1N 1566305459 VWKZCZVEAVMZFZ-UHFFFAOYSA-N 302.349 3.166 10 10 DGCE COc1ccc(F)c(C(=O)N[C@@H](C)c2ccccc2O)c1OC 1587451538 YZUZWGAGHIMMHB-JTQLQIEISA-N 319.332 3.040 10 10 DGCE Nc1ccc(CNC(=O)c2cc3c(s2)CCSC3)cc1 123687962 UROSNVWLJCJEMD-UHFFFAOYSA-N 304.440 3.050 10 10 DGCE Cc1ccc([C@@](C)(O)CN[C@H](C)c2ccc(N(C)C)cc2)o1 165649629 IGQOKJTYAUUGHN-KDOFPFPSSA-N 302.418 3.212 10 10 DGCE Nc1ccc2c(ccn2Cc2cncc(Br)c2)c1 166925916 MNHFLGQUMBMNJH-UHFFFAOYSA-N 302.175 3.429 10 10 DGCE CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1ccccc1C(=O)O 1865674128 OZGPLFMXFVHCCL-GZTJUZNOSA-N 320.348 3.499 10 10 DGCE Cc1ccc([C@@H](c2ccc(N(C)C)cc2)N2CCNCC2)cc1 19931562 QTDBUURBKOMWNN-FQEVSTJZSA-N 309.457 3.056 10 10 DGCE C[C@H]1CN(c2ccc([C@@H](C)O)cc2Br)C[C@H]1F 1947312723 JFWUHVBOTCKBMU-YGOYTEALSA-N 302.187 3.297 10 10 DGCE CCN[C@@](CSc1nccs1)(C[C@@H](C)CC)C(=O)O 2142864877 LTGLICRFZYEYRH-GXFFZTMASA-N 302.465 3.104 10 10 DGCE Oc1c(F)cc(Br)cc1CN[C@H]1C[C@@H](CF)C1 1966089164 ABWIZXVAIHQVED-WKFQBHICSA-N 306.150 3.132 10 10 DGCE Cc1ccc(CNCCc2ccncc2Br)c(O)c1 1967724977 FGFQQTPQEDYXDT-UHFFFAOYSA-N 321.218 3.190 10 10 DGCE CC1(C)OCCC[C@@H]1NCc1cc(Br)ccc1O 1967882530 XWPDHNQVEIHCKR-ZDUSSCGKSA-N 314.223 3.202 10 10 DGCE CN[C@H](c1ccccc1O)C1CCN(C(=O)OC(C)(C)C)CC1 259681482 IXLWWGUQWVNEAV-INIZCTEOSA-N 320.433 3.300 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1C[C@@H]([C@@H](F)COc2ccc(N)cc2)C1 1992586377 PMWCIKBSQOTMAY-LNSITVRQSA-N 324.396 3.289 10 10 DGCE CCN(c1ccc(CN)c(Br)c1)[C@H]1CCSC1 2003839467 GHEVUUPGOUFDDJ-LBPRGKRZSA-N 315.280 3.240 10 10 DGCE C[C@@H]1CN(c2ccc(CO)c(Br)c2)CC1(F)F 1996507045 PMLDNOKMRJYLOF-MRVPVSSYSA-N 306.150 3.033 10 10 DGCE C[C@@H]1CN(c2ccc3c(c2)CC[C@@H]3O)CCN1Cc1ccccc1 2012706589 GMQYLQYTRRVHAA-IERDGZPVSA-N 322.452 3.377 10 10 DGCE CCSC1CN(c2ccc(CNC)c(C(F)(F)F)c2)C1 2153906278 BWVNWDMSWNHYDI-UHFFFAOYSA-N 304.381 3.367 10 10 DGCE CCNCc1ccc(N2CCO[C@@H](CCF)C2)c(Cl)c1 700591745 VBMBMHTWIIOHAV-ZDUSSCGKSA-N 300.805 3.014 10 10 DGCE CNCc1ccc(N2C[C@H]3C[C@H]2[C@@H]2C[C@H]32)cc1Br 2041539234 DNFPLIWITMJLNK-OPQSFPLASA-N 307.235 3.013 10 10 DGCE C[C@@H]1O[C@H](C)[C@@H](NCc2ccc(Br)cc2O)[C@H]1C 529671034 XGPNYOWGKGHVCW-RZGXBDKHSA-N 314.223 3.056 10 10 DGCE Cc1cc(CNCCC2(C)OCCO2)c(C)n1-c1ccccc1 716020388 LWIAMPUFZWNNHT-UHFFFAOYSA-N 314.429 3.337 10 10 DGCE C[C@H](C(=O)NCc1c(O)ccc2ccccc12)C1CCOCC1 2062186602 UPIHZDTVRWGJPU-ZDUSSCGKSA-N 313.397 3.224 10 10 DGCE CNCc1cc(C2CCC2)nn1[C@@H](C)c1c(O)cccc1OC 2070036531 XDJILJNVMPXYIZ-LBPRGKRZSA-N 315.417 3.194 10 10 DGCE COc1cc2c(cc1OC)N(CC/C=C/Br)CC2 2051112821 MNWNIGFJNHXAGJ-ZZXKWVIFSA-N 312.207 3.365 10 10 DGCE CNCc1ccc(N2CC(F)(C3CC3)C2)cc1Br 2052054922 AQSOKQBISDNOQU-UHFFFAOYSA-N 313.214 3.107 10 10 DGCE C[C@@H]1CC[C@@H](CN(C)Cc2cc(Br)ccc2O)O1 2075379706 BTTBUXCGQZJJHO-MFKMUULPSA-N 314.223 3.154 10 10 DGCE C[C@@]12C[C@@H]1CN(c1ccc(C=CC(=O)O)c(Br)c1)C2 2096037947 KLQADPRJAFSKQQ-ABAIWWIYSA-N 322.202 3.393 10 10 DGCE C[C@H]1CC[C@H]1CNCc1cc(Br)cc(F)c1O 2215006908 CYQNAMVCSHYDGG-IUCAKERBSA-N 302.187 3.430 10 10 DGCE C[C@@H](N)c1ccc(N2CC[C@H]3C[C@@]3(F)C2)cc1Br 2222718858 RYFGMYMIVVCINX-ISTVAULSSA-N 313.214 3.407 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)c1cnc(C(F)(F)F)s1 2289273336 IGNNIDZSPRVSCE-LURJTMIESA-N 305.285 3.077 10 10 DGCE CSc1ncc(CN[C@@H]2CCCC[C@@H]2[C@H]2CCCN2)s1 2284692754 WFUBQQNFPYRTGF-MGPQQGTHSA-N 311.520 3.265 10 10 DGCE CSc1ncc(CN[C@@H]2CCCC[C@H]2[C@@H]2CCCN2)s1 2284692753 WFUBQQNFPYRTGF-MELADBBJSA-N 311.520 3.265 10 10 DGCE COc1cc(OC)c(N(CC(C)C)C[C@@H](C)O)cc1Cl 2287945952 DGZSMCIPSANFGX-LLVKDONJSA-N 301.814 3.200 10 10 DGCE CCOc1cc(C=C2SC(=S)N(C(C)C)C2=O)ccc1O 2296664622 RRTUVWXKXRQMCN-UHFFFAOYSA-N 323.439 3.401 10 10 DGCE CCCOc1ccc(C=CC(=O)NCCc2ccc(N)cc2)cc1 2301693483 MTJNZULDOZCXJK-UHFFFAOYSA-N 324.424 3.430 10 10 DGCE O=C(O)C1CCN(N=Nc2ccc(N3CCCCC3)cc2)CC1 2318775982 RLUXUXZDWIVMKJ-UHFFFAOYSA-N 316.405 3.472 10 10 DGCE C[C@H](O)c1ccc(N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)c(Br)c1 2308717785 QBRVUQDYADKYDW-WJYQBBMDSA-N 308.219 3.347 10 10 DGCE CC[C@@H](N[C@H]1CC[C@@H](O)C1)c1cc(Br)ccc1O 2320064798 AJPGDEMTDHVSPF-DMDPSCGWSA-N 314.223 3.109 10 10 DGCE Cc1ccc(CNCc2ccc(O)cc2)c(O)c1Br 2352949890 KOKJJNLSIMBSIC-UHFFFAOYSA-N 322.202 3.459 10 10 DGCE Nc1ccc(N2CCN(c3ncc(Cl)cc3Cl)CC2)cc1 57896737 VAJMBTBFNXFHIW-UHFFFAOYSA-N 323.227 3.297 10 10 DGCE COc1cccc(SCCC(=O)Nc2ccc(N)cc2)c1 20566781 HRLVJLFXIZIAJM-UHFFFAOYSA-N 302.399 3.398 10 10 DGCE CN(C)c1ccc(CNC(=O)C[C@H]2CCOc3ccccc32)cc1 117581529 AUEVDCLQBQSQFV-MRXNPFEDSA-N 324.424 3.325 10 10 DGCE CN(Cc1ccccc1O)C(=O)NC[C@H]1C[C@@H]1c1ccccc1 111891814 PPGQDPOIHWYPDO-IAGOWNOFSA-N 310.397 3.337 10 10 DGCE COc1ccc2[nH]c(C(=O)N(C)Cc3ccccc3O)cc2c1 188357948 LTWSFVURPLIOHI-UHFFFAOYSA-N 310.353 3.154 10 10 DGCE CC(C)Cc1nsc(N[C@H](C)Cc2ccc(O)c(O)c2)n1 185696474 SAWYARFQVBNZSO-SNVBAGLBSA-N 307.419 3.191 10 10 DGCE CC[C@]1(C)C[C@@H]1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 136793490 LRSXDKMQYIBYHE-FRQCXROJSA-N 317.429 3.336 10 10 DGCE COc1ccc(CN2CCO[C@H](c3cccc(F)c3)C2)c(O)c1 92975876 ALLGKJXUOCMUTG-SFHVURJKSA-N 317.360 3.113 10 10 DGCE CCc1nnc(CSc2ncc(-c3ccccc3)n2C)n1C 194679353 NEIUTAKWHBXPPM-UHFFFAOYSA-N 313.430 3.070 10 10 DGCE COc1ccc(O)c([C@H](C)NC[C@H]2CCN2C2CCCC2)c1 528004796 XLDZSUJHIWTLFY-DZGCQCFKSA-N 304.434 3.068 10 10 DGCE CCCCCC(=O)NC1CCN(Cc2ccccc2O)CC1 271248042 CZUHTKVYQXAXLV-UHFFFAOYSA-N 304.434 3.053 10 10 DGCE COc1cncc(NCc2cc(Cl)cc(Cl)c2O)n1 808090254 WCSUTEDSRQPCJD-UHFFFAOYSA-N 300.145 3.110 10 10 DGCE [N-]=[N+]=NCCCNC(=O)/C=C/c1cccc(Br)c1 701319179 QMEDHGXDGFIPIY-AATRIKPKSA-N 309.167 3.279 10 10 DGCE C=C/C(C)=C\CC(=O)NCc1cc(Br)ccc1O 804733322 OJOHWVCEMWGOOY-WMZJFQQLSA-N 310.191 3.293 10 10 DGCE CCC[C@H](c1c(O)cc(Cl)cc1Cl)N1CCNCC1 575273384 QGGIUOYMCUXRPR-GFCCVEGCSA-N 303.233 3.445 10 10 DGCE CCCCc1noc([C@H](C)OC(=O)c2ccc(C)c(O)c2O)n1 727005584 SZFJGOSFBXZNJW-JTQLQIEISA-N 320.345 3.050 10 10 DGCE COCCC1CN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 826894762 WCJIRGCUQKEKKP-UHFFFAOYSA-N 316.367 3.240 10 10 DGCE Cc1noc([C@@H]2CCCN2C/C=C/c2ccc(N(C)C)cc2)n1 835052922 IPMBFLWYSIOPJP-YXMMZVCTSA-N 312.417 3.294 10 10 DGCE Cc1cc(NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)nn1C 830852451 MCPZSGQZRQYFTA-UHFFFAOYSA-N 322.412 3.317 10 10 DGCE CCCN(CCC)c1ccc(CN[C@@H]2CCNC[C@H]2C)cc1 841064655 RZOQSUQLHPACPZ-VQIMIIECSA-N 303.494 3.401 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H](N)C[C@H]1c1cccc(Cl)c1O 1952445898 AJSVUZJXEHBCJI-CABZTGNLSA-N 312.797 3.055 10 10 DGCE Cc1cc(O)c(CNC[C@@H](O)c2ccccc2C)c(Cl)c1 840896784 NUVOVNJYHRDVIE-QGZVFWFLSA-N 305.805 3.486 10 10 DGCE COc1cc(Cl)cc(CNC2CC3(C2)CC3(F)F)c1O 1330355275 DAEMXRVSFVOYRH-UHFFFAOYSA-N 303.736 3.332 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)C(C)(C)OC 925497945 AOHNAEVHBGPOLG-ZDUSSCGKSA-N 308.422 3.127 10 10 DGCE COC(=O)c1ccc(O)c([C@@H](C)NC[C@@H]2C(C)(C)C2(F)F)c1 850553203 UAFAJBYLDWUHQA-NOZJJQNGSA-N 313.344 3.121 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)CC3CCCCC3)C2)cc1 855229196 LAOFVLTWVWOXHT-INIZCTEOSA-N 316.445 3.361 10 10 DGCE CCO[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)C(C)C 858836549 CEFUZTMPIWJWOH-SFHVURJKSA-N 318.461 3.354 10 10 DGCE c1ccc(COc2ccc(N3CC[C@]4(CCNC4)C3)cc2)cc1 1899879992 SLCHVDIVANBLCZ-FQEVSTJZSA-N 308.425 3.455 10 10 DGCE CCOc1ccc(O)c(CN[C@@H]2[C@H]3Cc4cc(F)ccc4[C@H]32)c1 850409121 LFTSOCIZPJGALB-QXAKKESOSA-N 313.372 3.358 10 10 DGCE c1cc(N2CCOCC2)ccc1CN1[C@H]2CC[C@H]1CC1(CC1)C2 931165699 YRJBMIVAVNNKAO-OALUTQOASA-N 312.457 3.430 10 10 DGCE O=C(Nc1nc2c(s1)CCCC2)N1Cc2cccc(O)c2C1 866100431 VHVJKYIMQVKCNT-UHFFFAOYSA-N 315.398 3.275 10 10 DGCE CN(Cc1ccccc1O)C(=O)C1C[C@@H]2CCCC[C@H](C1)C2=O 866597383 RPZMWXLCYUTIQF-MZBDJJRSSA-N 315.413 3.136 10 10 DGCE C[C@H](NC(=O)N[C@@H]1Cc2ccccc2[C@@H]1C)c1ccccc1O 868766716 CSGXAYQITPIFQV-GDZNZVCISA-N 310.397 3.481 10 10 DGCE CCOc1ccc(CN2CC[C@H]3CC[C@@H](C2)N3C(C)C)c(O)c1 769477881 BBPKFGVBCLZKMC-SJORKVTESA-N 318.461 3.238 10 10 DGCE S=C(NCc1ncccc1Br)Nc1ccccc1 242827853 FOQIKPWMZRWZNE-UHFFFAOYSA-N 322.231 3.331 10 10 DGCE C[C@@H](NCc1ncc(Cl)s1)c1cc([N+](=O)[O-])ccc1O 872117066 YHMXYLIWSYHJSY-SSDOTTSWSA-N 313.766 3.261 10 10 DGCE CCOc1ccc(O)c(CN2CCC[C@H]([C@H]3CCOC3)C2)c1 770377267 ZDOVDLWKJIYLQG-GJZGRUSLSA-N 305.418 3.039 10 10 DGCE CC[C@H](NCCC[C@@H]1CCOC1=O)c1cccc(Cl)c1O 872112336 JCHTWLFMBCFYCX-RISCZKNCSA-N 311.809 3.430 10 10 DGCE CCOC(=O)CC1(NCc2ccc(N(C)C)c(F)c2)CCCC1 789779902 RDRJUPDRZHPTDC-UHFFFAOYSA-N 322.424 3.247 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCC[C@H]2OC)cc1 1135946001 AKEOIPMBOPTJEA-ZWKOTPCHSA-N 318.461 3.306 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1ccnc2[nH]c(C)nc12 797932060 NZEXTOQJHTWYHL-UHFFFAOYSA-N 324.384 3.024 10 10 DGCE Oc1ccc(NCc2cc(Br)cc(F)c2O)cn1 715791314 HFNFLOGAVJHFEH-UHFFFAOYSA-N 313.126 3.007 10 10 DGCE COC(=O)[C@@H](NCCCN=[N+]=[N-])c1cccc(Cl)c1Cl 90259623 RDWOKFGOZQLFNU-NSHDSACASA-N 317.176 3.498 10 10 DGCE CO[C@@H](C(=O)NCc1cc(Cl)ccc1O)c1ccc(F)cc1 1300396611 ZXNXIBXXKRGOPY-OAHLLOKOSA-N 323.751 3.189 10 10 DGCE CN(CC1=CCSC1)c1ccc(CN)c(Br)c1 1916814277 RBCNVOZZLKZLGR-UHFFFAOYSA-N 313.264 3.017 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)Nc1ccc(C2CC2)cc1F 1175322542 SQXWFFQYIAAFHF-UHFFFAOYSA-N 301.317 3.296 10 10 DGCE COc1ccc(CNC(=O)Nc2ccc3cc[nH]c3c2)c(O)c1 1256435532 SUNVPCQHSXEDJS-UHFFFAOYSA-N 311.341 3.204 10 10 DGCE CCOc1ccc(N2CCN(CCC[C@H]3CCOC3)CC2)cc1 1345764473 UWIHHYDAYVSUKN-KRWDZBQOSA-N 318.461 3.024 10 10 DGCE COc1ccc(CNCCN(C)C(=O)CC2CCCC2)cc1C 1267342335 RKQUYBVTAACBJX-UHFFFAOYSA-N 318.461 3.132 10 10 DGCE [N-]=[N+]=N[C@H]1CCN(C(=O)c2csc(-c3cccs3)n2)C1 1912185122 MAXFPRBNZWXSGK-QMMMGPOBSA-N 305.388 3.396 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)Nc2ccc3c(c2)CCCO3)cc1 1292581414 MESWIKUDSFCVAX-UHFFFAOYSA-N 324.340 3.426 10 10 DGCE C[C@@H](C(=O)NCc1c(O)cccc1O)c1cccc(Cl)c1 1558534907 ZPZNRNIWXMLUHA-SNVBAGLBSA-N 305.761 3.171 10 10 DGCE C[C@H](NC(=O)c1ccc(-c2cnc[nH]2)cc1)c1ccccc1O 1635803835 LDOFGSJUFSIHAH-LBPRGKRZSA-N 307.353 3.273 10 10 DGCE O=C(CCCn1cccc1)NCc1c(O)ccc2ccccc12 1645440997 QRPFHTXDEWTLDO-UHFFFAOYSA-N 308.381 3.444 10 10 DGCE COC(=O)COc1ccc(N(C)Cc2cc(C)cc(C)c2)cc1 1653258873 OBPQSQGOPAPRCW-UHFFFAOYSA-N 313.397 3.492 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2CC1C[C@@H]2[C@@H](C1)C2(F)F 1654011172 JLKIWLKQMWOJGI-ZIAGYGMSSA-N 308.372 3.243 10 10 DGCE Cc1ccccc1-c1cc(NC(=O)Cc2ccc(N)cc2)n(C)n1 162102157 OFGMIUADIGJUKZ-UHFFFAOYSA-N 320.396 3.159 10 10 DGCE CNCc1ccc(N(C)[C@@H]2CCO[C@@H]2C)c(C(F)(F)F)c1 160094184 HWAZEVKRZSHYMF-ZWNOBZJWSA-N 302.340 3.038 10 10 DGCE CC(C)(C)OC(=O)Nc1cncc([C@H](N)c2ccccc2O)c1 1938161377 DZLHKVIPLXGNBZ-HNNXBMFYSA-N 315.373 3.182 10 10 DGCE CC[C@H](N[C@H]1C[C@H]1CNC(=O)OC(C)(C)C)c1ccccc1O 1973247957 KCXWNTAJJLGMIG-QEJZJMRPSA-N 320.433 3.346 10 10 DGCE CC[C@H](NC(=O)OC(C)(C)C)[C@H](O)c1ccc2c(c1)CCN2C 1977959133 QLUZIHXAWINYHQ-GOEBONIOSA-N 320.433 3.016 10 10 DGCE C[C@@H](C[C@H](O)c1ccc(N(C)C)cc1)N(C)C(=O)OC(C)(C)C 1977939091 NUKGMHMDSDEYTG-BBRMVZONSA-N 322.449 3.432 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](Nc2c(N)cccc2F)[C@H]2C[C@H]21 1983873697 IMZTWMUQENZPNP-DDTOSNHZSA-N 321.396 3.218 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNc1ccc2nncn2c1 2159801582 UQFLGTNGLJAKCO-UHFFFAOYSA-N 309.156 3.354 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 705942978 WJPHCLAWCMNOAI-UXPWSPDFSA-N 322.452 3.308 10 10 DGCE Oc1cccc(Br)c1CNCCCc1ccccn1 706863516 KOENMMJEXRRNFW-UHFFFAOYSA-N 321.218 3.272 10 10 DGCE O=C1N=C(N2CCCCC2)SC1=Cc1cccc([N+](=O)[O-])c1 2053511657 CJRHUXADOURCCB-UHFFFAOYSA-N 317.370 3.051 10 10 DGCE Oc1c(Cl)cccc1CN1CCO[C@H](CC(F)(F)F)C1 698222552 UKEYHMRXFPQEQS-SNVBAGLBSA-N 309.715 3.199 10 10 DGCE Cc1cc(Br)c(O)c(CN[C@H]2CCSC2)c1 381563064 RXULGDGVUVWJLR-JTQLQIEISA-N 302.237 3.058 10 10 DGCE COc1cc(Cl)cc(CN(C)C[C@@H](F)C(F)(F)F)c1O 2179761244 MQJSYKITRRYADE-SNVBAGLBSA-N 315.694 3.386 10 10 DGCE C[C@@H](NC[C@@]1(Br)CC1(F)F)c1ccc(F)cc1O 2082488757 HFELTLFDPCSQTR-HQJQHLMTSA-N 324.140 3.355 10 10 DGCE CC[C@@H]1CC[C@@H](CN(C)c2cc(Cl)c(CN)cc2F)O1 2201398693 YUWMYSJHYREIOT-NEPJUHHUSA-N 300.805 3.332 10 10 DGCE COC(=O)C(C)(C)CSc1ncc(CNC2CCC2)s1 2240013236 VTONBUOSKKQAAW-UHFFFAOYSA-N 314.476 3.077 10 10 DGCE CSc1ncc(CNc2cnncc2Br)s1 2243787726 KTBVHPXTNFGWRZ-UHFFFAOYSA-N 317.237 3.030 10 10 DGCE CSc1ncc(Cn2cnc(Cl)c2CNC(C)C)s1 2269279468 QUWMYNHJBVADJX-UHFFFAOYSA-N 316.883 3.261 10 10 DGCE CSc1ncc(CN[C@@H]2CCC[C@H]2[C@H]2CCCCN2)s1 2284687294 FPTJYNCYYCJPFF-BFHYXJOUSA-N 311.520 3.265 10 10 DGCE Cc1ncc(/C=C\C(=O)N2CCCc3cccc(O)c32)s1 492380655 QAWIIWUJJSYFQH-FPLPWBNLSA-N 300.383 3.150 10 10 DGCE Cn1cc(Br)c(CSCc2ccc(N)cc2)n1 2302459173 FBZCPBLPEGHMDV-UHFFFAOYSA-N 312.236 3.198 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)Nc1cccc(-c2ncco2)c1 2308005840 KGZGAXVFTMQSLF-UHFFFAOYSA-N 322.320 3.405 10 10 DGCE CO[C@@H](C)CCOC(=O)c1cc(C)n(-c2ccccn2)c1C 174810480 QESAMPMQADLPKW-ZDUSSCGKSA-N 302.374 3.071 10 10 DGCE CO[C@@H]1CCCN(C(=O)c2cc(C)n(-c3ccccc3)c2C)C1 76248417 YWEAAPVBXJXFNQ-QGZVFWFLSA-N 312.413 3.345 10 10 DGCE COCCNCc1ccc(N2C[C@H](C)S[C@H](C)C2)cc1C 70384631 VIJIJTGIWSKFBD-GASCZTMLSA-N 308.491 3.061 10 10 DGCE CN(Cc1ccccc1Cl)c1cc2c(cc1N)OCCO2 48878590 YNWQCORUPURXRF-UHFFFAOYSA-N 304.777 3.330 10 10 DGCE CSC1(CN[C@@H](C)c2ccc(N3CCC(O)CC3)cc2)CC1 193829468 XPNDQELIZSTZIA-AWEZNQCLSA-N 320.502 3.194 10 10 DGCE NCc1ccc(N2CC[C@H](OCc3ccccc3)C2)cc1F 383897088 FRSPIGWYCDDERB-KRWDZBQOSA-N 300.377 3.080 10 10 DGCE O=C1N=C(Nc2ccccc2)S/C1=C/c1cccc2nccn12 255770990 KMDMKFJJCZPVPU-SDNWHVSQSA-N 320.377 3.417 10 10 DGCE C[C@H](CN[C@@H]1CCc2cccc(O)c21)N(C)C(=O)OC(C)(C)C 296389723 JTGDBHMPXGFQHI-TZMCWYRMSA-N 320.433 3.225 10 10 DGCE O=S(=O)(Nc1ccc(O)c(F)c1)c1ccc(F)c(Cl)c1 1254942039 VUHXGETVKNSREZ-UHFFFAOYSA-N 319.716 3.125 10 10 DGCE CCc1cc(N2C(=O)CN(Cc3ccccc3O)C2=O)ccc1C 819007882 GONYBSAEQAENJS-UHFFFAOYSA-N 324.380 3.232 10 10 DGCE Oc1ccc(Br)cc1CNc1nnc(C(F)F)o1 814368266 AYFIXYVLHWSZJD-UHFFFAOYSA-N 320.093 3.087 10 10 DGCE CN(C)c1ccc(CN2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1 824696333 LJXXNAKDVQSPEJ-QRVBRYPASA-N 302.462 3.268 10 10 DGCE COc1ccc(N(C)Cc2cc(C(F)(F)F)nn2C)cc1F 825469030 UEWUPALKCLTSPM-UHFFFAOYSA-N 317.286 3.223 10 10 DGCE COC(=O)/C=C\c1ccc(N(CC(C)C)C2CC2)c([N+](=O)[O-])c1 733188075 YEZLFRATZBDYCV-UITAMQMPSA-N 318.373 3.406 10 10 DGCE Cc1ccccc1[C@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2O)C1 831165547 LZVWNPZLQUEJLT-HAQNSBGRSA-N 315.344 3.221 10 10 DGCE CN(C)c1ccc(/C=C\CNC[C@@](C)(O)c2ccccc2)cc1 835038967 DOPJPTZQCVFMQQ-WHXUGTBJSA-N 310.441 3.263 10 10 DGCE Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)Nc1ccc(N)cc1 841295542 AZMLWKHLTHKJME-NSHDSACASA-N 315.421 3.411 10 10 DGCE Cc1cccc(CN[C@H](CCC(=O)O)Cc2ccccc2)c1O 840998639 LSQVUNCQZXIXHK-QGZVFWFLSA-N 313.397 3.266 10 10 DGCE CCC(F)(F)CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 858507987 LJDRWYNASYBEJQ-LBPRGKRZSA-N 316.367 3.358 10 10 DGCE O=C(NCCCSc1nccs1)N[C@H]1CC12CCCC2 759002221 LCLWQXSDJFWLRW-NSHDSACASA-N 311.476 3.257 10 10 DGCE Cc1ccc([C@@H](C)N[C@@H]2C(=O)N(C)Cc3ccccc32)c(O)c1 857875345 KVWGWWHCVGDWNU-ACJLOTCBSA-N 310.397 3.065 10 10 DGCE Cc1ccc2c(c1)[C@@H](NCc1cc3c(cc1O)OCO3)[C@H](C)C2 850386494 LGMSTRFIYUERGW-BLVKFPJESA-N 311.381 3.452 10 10 DGCE C[C@@H](NCC[C@@H](N(C)C)C(F)(F)F)c1cc(F)ccc1O 926962119 KBTWZBKQNRCCMO-NOZJJQNGSA-N 308.319 3.065 10 10 DGCE CN(C)c1ccc(/C=C/CNCCCO[C@H]2CCCCO2)cc1 922231562 OCXSZLAIDKNUFT-XZXOBPBMSA-N 318.461 3.289 10 10 DGCE OC[C@@H]1C[C@H]2CN(c3ccc(OCc4ccccc4)cc3)C[C@H]12 1899861393 BPHSXNJAUBIXRQ-ZWOKBUDYSA-N 309.409 3.330 10 10 DGCE COc1ccc(N2CC[C@@H](Nc3nnc(C(C)C)s3)C2)cc1 853759120 PLLZWCRLYRMIMR-GFCCVEGCSA-N 318.446 3.361 10 10 DGCE Oc1ccc(Cl)cc1CN1CCO[C@@H](CC(F)(F)F)C1 698221358 LVNCWFWEFWSBIF-NSHDSACASA-N 309.715 3.199 10 10 DGCE Nc1ccc(Cc2noc(C3([C@@H]4CCCCO4)CCC3)n2)cc1 872171245 QAXHBISFQRKBJT-HNNXBMFYSA-N 313.401 3.233 10 10 DGCE O=[N+]([O-])c1ccc(NC(=S)NCc2ccc(Cl)cn2)cc1 776193973 XHELZIHMBORAPZ-UHFFFAOYSA-N 322.777 3.130 10 10 DGCE CC[C@@]1(C)CN(C[C@@H]2CCCNC2)c2ccc(OC)cc2N1 76931128 DSQWUCJSKLISNM-KDOFPFPSSA-N 303.450 3.095 10 10 DGCE COc1cccc(CNC(=O)c2[nH]ccc2-c2ccccc2)c1O 1137473882 ZRMQXZNWDKZIPU-UHFFFAOYSA-N 322.364 3.326 10 10 DGCE Brc1cc(CNC2CC2)ccc1N1CC[C@H]2C[C@H]21 707086722 JSSGTWHSJXIIGT-XHDPSFHLSA-N 307.235 3.300 10 10 DGCE CNCc1cc(F)c(N(C)[C@H]2CCCSCC2)c(F)c1 709613154 UMDPBVVKEIJSIH-LBPRGKRZSA-N 300.418 3.406 10 10 DGCE C[C@@H](NC[C@H]1CCN1Cc1ccccc1)c1cc(O)ccc1O 716299011 OORDZOFVBTYYQJ-GDBMZVCRSA-N 312.413 3.023 10 10 DGCE Nc1ccc(CS(=O)(=O)Nc2cccc(F)c2Cl)cc1 690286622 PTNZCYZOHWNIBR-UHFFFAOYSA-N 314.769 3.003 10 10 DGCE O=C(NCc1ccc(O)cc1O)c1ccc(-c2ccco2)s1 1142532965 ATNZKMIVGRYOSS-UHFFFAOYSA-N 315.350 3.349 10 10 DGCE C[C@H](O)c1ccc(N2CCO[C@H](C(F)(F)F)C2)c(Cl)c1 698772534 MLEPPHNBDKSDKU-UFBFGSQYSA-N 309.715 3.161 10 10 DGCE COC(=O)c1cnc(S[C@H]2CCCc3cccnc32)s1 1307348121 HEVDBPSTUCPVHL-JTQLQIEISA-N 306.412 3.494 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC(C)(C)C1CC1 1312885942 RCTHJDRDBLQYRK-AWEZNQCLSA-N 317.477 3.480 10 10 DGCE CSC(C)(C)Cn1c(C)nnc1N(C)Cc1ccccc1O 1316364965 KYSSMRHFXXMNBZ-UHFFFAOYSA-N 320.462 3.070 10 10 DGCE C[C@@H](NC(=O)N[C@@H]1C[C@H]2[C@@H](C1)C2(F)F)c1ccc(N(C)C)cc1 1327534757 GJOPRZNOHPPCJM-WAZAZEMKSA-N 323.387 3.157 10 10 DGCE [N-]=[N+]=N[C@H]1CCN(C(=O)COc2ccc(Cl)cc2Cl)C1 1912168390 DCJUTKHOKILSHH-VIFPVBQESA-N 315.160 3.283 10 10 DGCE COC(=O)CN(CCC=C(C)C)Cc1cc(Cl)ccc1O 1459685135 KUMMAIYSSOIPKH-UHFFFAOYSA-N 311.809 3.377 10 10 DGCE C[C@@H](CCO)N(Cc1ccccc1)c1ccc(CN)cc1F 1915390791 XCTQJLBWRLLHRC-AWEZNQCLSA-N 302.393 3.062 10 10 DGCE CCN(CC)c1ccc(CNC(=O)c2cccn3nccc23)cc1 1527406372 URHMAYYIWZSXMU-UHFFFAOYSA-N 322.412 3.111 10 10 DGCE CN(C)c1ccc(CNC(=O)c2ccc3cnccc3c2)cc1F 1535619016 JDRSBPQILXLIER-UHFFFAOYSA-N 323.371 3.370 10 10 DGCE C[C@@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)c1ccncc1 1540488079 COQZNYIWMKWEEQ-MRXNPFEDSA-N 323.440 3.444 10 10 DGCE CCN1C(=O)/C(=C\c2ccc(-n3cccn3)cc2)SC1=S 26132957 BOGKWMBEZFNPSF-JLHYYAGUSA-N 315.423 3.093 10 10 DGCE COc1cccc(CNC(=O)/C=C(/C)c2cccs2)c1O 1622779516 QJYIVGIFDKLTGP-LUAWRHEFSA-N 303.383 3.182 10 10 DGCE CC(C)Cc1cc(N[C@@H](C)Cc2ccc(O)c(O)c2)ncn1 1559163326 QPPVPJKXLGXHIC-LBPRGKRZSA-N 301.390 3.129 10 10 DGCE Cc1ccc(O)c(CNC(=O)NC[C@@H]2C[C@@H]2Cc2ccccc2)c1 1565473623 LJXOFRLURLZDRP-IRXDYDNUSA-N 324.424 3.379 10 10 DGCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C\C(C)(C)C 1772827697 WWKHOBNBVLRMCM-KTKRTIGZSA-N 316.445 3.084 10 10 DGCE CC(C)NCc1ccc(N(C)C2CCN(C)CC2)c(Cl)c1 163924876 SYLBUZRVWZEDTR-UHFFFAOYSA-N 309.885 3.368 10 10 DGCE Cc1ccc(NC(=O)Nc2ccc(N)cc2)c(Br)n1 1876153454 TZDPEWWXJZLPEO-UHFFFAOYSA-N 321.178 3.379 10 10 DGCE CN(c1ccc(N)cc1)[C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 1977970248 KVMIPHJJDKEZIP-XJKSGUPXSA-N 319.449 3.398 10 10 DGCE CN[C@H](c1ccc(N(C)C)cc1)C(C)(C)NC(=O)OC(C)(C)C 1977945279 NBMIRLFLAIWCOB-OAHLLOKOSA-N 321.465 3.316 10 10 DGCE O[C@@H]1CCCc2cc(N(Cc3ccccc3)C3COC3)ccc21 1986600586 NYRROPCBHAAKSH-HXUWFJFHSA-N 309.409 3.462 10 10 DGCE C[C@@H](N)c1ccc(N(CCO)Cc2cccs2)cc1Cl 2171101686 LNYFZDKGZWNVLM-LLVKDONJSA-N 310.850 3.420 10 10 DGCE C[C@H](CNCc1ccc(Br)cc1O)[C@@H]1CCCO1 720540668 IDUNHHCYHCXVPB-YGRLFVJLSA-N 314.223 3.059 10 10 DGCE CCN1CCc2cc([C@@H](NC)c3nc(Cl)cs3)ccc21 2196948786 KRRUKFHMCLUBQG-CQSZACIVSA-N 307.850 3.488 10 10 DGCE CNCc1ccc(OCc2ccc(Br)cn2)c(C)c1 2098793866 HXHJRKRBVHAFLN-UHFFFAOYSA-N 321.218 3.451 10 10 DGCE CC[C@H](Nc1cn(C)nc1Br)c1ccccc1O 2223017092 GQTWFWRJHRTAJW-JTQLQIEISA-N 310.195 3.451 10 10 DGCE OCc1ccc(N2CCC[C@H](OC(F)(F)F)C2)c(Cl)c1 2238896372 IANXLLNWBTXIMO-JTQLQIEISA-N 309.715 3.338 10 10 DGCE Cc1nn(C)c(CN(C)c2ccc(CO)c(Cl)c2)c1Cl 2240935427 VPISONMHGVGORM-UHFFFAOYSA-N 314.216 3.164 10 10 DGCE CCOc1ccc(C=C2SC(N3CCCC3)=NC2=O)cc1 2293175791 QGOYMEYNSGNPIA-UHFFFAOYSA-N 302.399 3.151 10 10 DGCE CC(C)c1ccc(C=C2SC(=S)N(CCO)C2=O)cc1 2294874781 UHQMOHPNUPTJRO-UHFFFAOYSA-N 307.440 3.004 10 10 DGCE CN1C(=O)C(=Cc2ccc3c(c2)CC(C)(C)O3)SC1=S 2297493882 IGPMYHXUFNUXGG-UHFFFAOYSA-N 305.424 3.231 10 10 DGCE CCCOc1ccccc1N=NN1CCC(C(=O)OC)CC1 2330217482 XWJGSFVUDQBOJO-UHFFFAOYSA-N 305.378 3.359 10 10 DGCE Cc1ncc(CN(C)c2ccc([C@@H](C)N)c(Br)c2)o1 2342828570 JIKORLRAACZDHA-SECBINFHSA-N 324.222 3.402 10 10 DGCE Cc1nn(C)c(Cl)c1/C=C/C(=O)N1CCc2ccc(F)cc21 58745820 JNYXLECGGLTBMR-AATRIKPKSA-N 319.767 3.124 10 10 DGCE C[C@H]1c2ccccc2O[C@@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 117747299 HRPRENCQDFEVNI-LIRRHRJNSA-N 324.424 3.276 10 10 DGCE CCN(Cc1cc(Cl)cc(C(C)=O)c1O)[C@@H]1CCCOC1 402647945 HZKUNZUCMRHAHS-CQSZACIVSA-N 311.809 3.249 10 10 DGCE CC1(C)SC[C@H]1NCc1cc(OC(F)(F)F)ccc1O 2361026276 DDPRYWNEXRCUKZ-LLVKDONJSA-N 307.337 3.274 10 10 DGCE CCOC(C)(C)CN[C@H](C)c1ccc(N2CCC(O)CC2)cc1 188692363 MJYQLAKQUQCGMU-OAHLLOKOSA-N 320.477 3.113 10 10 DGCE COC[C@H](NCc1cc(F)cc(C(C)=O)c1O)c1ccccc1 181702596 NWYGZVBZJCOUFY-KRWDZBQOSA-N 317.360 3.211 10 10 DGCE O=C(/C=C/c1cnccn1)N1CCCc2cc(Cl)cc(F)c21 68145731 IJVSWQCVEFUGKX-ONEGZZNKSA-N 317.751 3.262 10 10 DGCE Cc1ccc([C@@H](C)N[C@@H](C)c2nnc3n2CCCCC3)c(O)c1 319753018 JJHPUHQVGRUBIM-KGLIPLIRSA-N 314.433 3.430 10 10 DGCE CC(C)OCCN(C)c1ccc([C@@H](C)N)c(Br)c1 232692277 HCAVYZLFVODETB-LLVKDONJSA-N 315.255 3.330 10 10 DGCE CC[S@](=O)[C@@H]1CCC[C@H](N[C@H](C)c2ccc(F)cc2O)C1 248493047 JRDJJEMLORZWLR-VZIIKCOPSA-N 313.438 3.262 10 10 DGCE Oc1cccc2c1[C@H](NC[C@@H]1CCN1C1CCCCC1)CC2 527943763 BZQXJUSKNUGTDH-DLBZAZTESA-N 300.446 3.376 10 10 DGCE C[C@]1(CN[C@H]2CCc3cccc(O)c32)COc2ccccc2O1 527927460 GNLOSHRLZKWQND-LIRRHRJNSA-N 311.381 3.199 10 10 DGCE C[C@H](O)C(C)(C)NCc1ccc(OCc2ccccc2)cc1O 273183307 OQCJDCGDDYSWOM-AWEZNQCLSA-N 315.413 3.220 10 10 DGCE Oc1ccc(Br)cc1CN=c1cc[nH]cc1Cl 804828725 XTFKFBJNHDUMCC-UHFFFAOYSA-N 313.582 3.237 10 10 DGCE CN1CCCc2cc(CNC(=O)N[C@H]3CCCC3(F)F)ccc21 806635040 NMIXXYAHIDJSBP-HNNXBMFYSA-N 323.387 3.056 10 10 DGCE C[C@H](NC(=O)C[C@@H](O)CC(C)(C)C)c1ccc(N(C)C)cc1 813524487 CMXGYZUSZNGPNI-XJKSGUPXSA-N 306.450 3.117 10 10 DGCE COc1ccc(O)c([C@@H](CCC(F)(F)F)N2CCOCC2)c1 575305254 GBMIDJNUMLMIQB-CYBMUJFWSA-N 319.323 3.117 10 10 DGCE C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@@H]1CC(=O)O 722659283 BDPSQXNBVVIVRF-BDAKNGLRSA-N 318.200 3.242 10 10 DGCE Cc1cnccc1/C=C\C(=O)NCc1ccc2c(c1)CCCN2C 822867519 AHPXRHFAGPKKON-VURMDHGXSA-N 321.424 3.102 10 10 DGCE Cc1cccc(CN2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)c1O 825030256 HTFOXSHMUSFCHN-WBVHZDCISA-N 317.429 3.208 10 10 DGCE Oc1ccc(F)cc1CN1CC2(CCOCC2)[C@@H]1c1ccco1 827494308 JBCIRQWFNMRDLX-KRWDZBQOSA-N 317.360 3.478 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@]2(C)CCCC[C@@H]2C(=O)O)cc1 901823214 NMQVCZIQPVVOTK-LJJUJYJISA-N 316.445 3.389 10 10 DGCE CN(C)c1ccc(/C=C/CNC2CC(N3CCCCC3)C2)cc1 835055199 WTVSNQAUBDQFMH-VOTSOKGWSA-N 313.489 3.372 10 10 DGCE CN1CCC2(CCCN2C/C=C\c2ccc(N(C)C)cc2)CC1 835045397 LNDBQJDXJCTMEB-XQRVVYSFSA-N 313.489 3.326 10 10 DGCE Oc1cc2c(cc1CN1CCC[C@H](N3CCCC3)CC1)CCC2 738273106 WPUVLJRBZRNHNX-IBGZPJMESA-N 314.473 3.331 10 10 DGCE C[C@@H]1CN(C/C=C\c2ccc(N(C)C)cc2)C[C@H](C2CC2)O1 835055026 UZKGNEMOGQIEJA-DAFSOKFYSA-N 300.446 3.265 10 10 DGCE CCN1CCC(N(C)C/C=C\c2ccc(N(C)C)cc2)CC1 835025325 IBWNVCIRDKUJJG-SREVYHEPSA-N 301.478 3.182 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCC[C@@]3(CCOC3)C2)cc1 835054897 MYRQVTMJTXGGFD-MEDHRJKHSA-N 300.446 3.268 10 10 DGCE C/C(=C/c1ccncc1)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 846976827 HKNOGDFOQGVCEZ-SEWDUPMJSA-N 309.413 3.428 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCCC[C@@H]2[C@@H]2CCCN2)cc1 843048122 OAFVERRODSYCKB-RLWBPELLSA-N 313.489 3.372 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H](N)[C@@H]1c1cccc(Cl)c1O 1952305229 WMOJZWAREMNOAY-NEPJUHHUSA-N 312.797 3.055 10 10 DGCE CCOc1ccc(O)c(CN2C[C@H](O)C[C@@H]2c2ccccc2)c1 840956128 DDPXPRVMJYXPHP-SJLPKXTDSA-N 313.397 3.099 10 10 DGCE CO[C@@H](COC(=O)/C=C\c1ccc(O)c(O)c1)C1CCCCC1 849745220 MOOIRZDUCYFZPG-PXAMLJHWSA-N 320.385 3.250 10 10 DGCE CCOC(=O)[C@@H]1CC[C@H](NCc2c(O)cc(C)cc2Cl)C1 840942567 GPMJBBCSGJLVBP-NEPJUHHUSA-N 311.809 3.175 10 10 DGCE CCOc1ccc(O)c(CN[C@H](C)[C@@H]2C[C@H](C(=O)O)C2(C)C)c1 848639700 JMTFAEFYZYXLET-BYCMXARLSA-N 321.417 3.016 10 10 DGCE Cc1noc([C@H](C)N(C)C/C=C\c2ccc(N(C)C)cc2)n1 848925770 JXURBNKEHPKTGL-FWWRYZNZSA-N 300.406 3.150 10 10 DGCE C[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H](C)C1 928186619 PWTJNORPNSATKT-VXGBXAGGSA-N 302.378 3.357 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccnc(F)c1F 856915741 HJLVVNBIOBURLR-UHFFFAOYSA-N 320.343 3.056 10 10 DGCE C[C@@H]1COC2(CCCC2)CN1Cc1c(O)ccc2ccncc12 853576682 DVNAFTPVVFQWFV-CQSZACIVSA-N 312.413 3.474 10 10 DGCE Cc1cncc(CCN[C@@H](C)c2cc(Cl)cc(C)c2O)n1 850548780 AANVRQIIWRZDFK-LBPRGKRZSA-N 305.809 3.346 10 10 DGCE O[C@@H]1CN(c2ccc(OCc3ccccc3)cc2)C[C@@H]1C1CC1 1899885859 WCBOAJHZOAKYCW-WOJBJXKFSA-N 309.409 3.473 10 10 DGCE COc1ccc(N2CC[C@H](N[C@H]3CC[C@H](C)SC3)C2)cc1 850347663 VOVMADMBHFQTHF-KKUMJFAQSA-N 306.475 3.148 10 10 DGCE CC[C@@H]1C[C@@H](CN2CCOc3cc(N(C)C)ccc32)CCO1 765653597 APBRVXDBFKUUGY-GOEBONIOSA-N 304.434 3.157 10 10 DGCE COc1c(C)cccc1CNC(=O)N[C@@H](C)c1ccccc1O 868751950 RMVQSQSRNRTLGG-ZDUSSCGKSA-N 314.385 3.270 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCO[C@](C)(C(F)F)C2)cc1 1118674089 IMXSCMXRMBYBSG-BDUNBXCCSA-N 310.388 3.122 10 10 DGCE CCc1nn(C)cc1NCc1cc(C)cc(Br)c1O 781637326 BRYDWNUSDMDENM-UHFFFAOYSA-N 324.222 3.371 10 10 DGCE C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CC1(C)C 785433119 DFSLZJWHSJVWRZ-BBRMVZONSA-N 320.452 3.311 10 10 DGCE Cc1occc1CNC(=O)c1cc2cc(O)c(O)cc2s1 1136489315 MGEBEKVZBDMDOI-UHFFFAOYSA-N 303.339 3.144 10 10 DGCE C[C@H](O)[C@@H](NCc1cc(Cl)cc(Cl)c1O)C(F)(F)F 1882638946 JCZOOERRJFEBPH-XUOSJQGZSA-N 318.122 3.100 10 10 DGCE C[C@H](N)c1ccc(N2CCO[C@@H](C(F)F)CC2)c(Cl)c1 687573103 XVFBUXQVAMGFHY-TVQRCGJNSA-N 304.768 3.220 10 10 DGCE COc1ccc(CNc2nc(-c3ccc(C)cc3)no2)c(O)c1 795292088 LSDVXGUUGYPUIP-UHFFFAOYSA-N 311.341 3.371 10 10 DGCE O=[N+]([O-])c1ccc(NCc2cccc(Cl)c2O)c([N+](=O)[O-])c1 1164342569 RRUXSNSITDTMAV-UHFFFAOYSA-N 323.692 3.474 10 10 DGCE Cc1ccc(C(=O)N2Cc3cccc(O)c3C2)c2ncccc12 1175037826 LRZRPISWUAYFFS-UHFFFAOYSA-N 304.349 3.405 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2C[C@@H]3CCCC[C@@H]32)c1 1333507459 MBSPFQXNDKCKAZ-TWJWRFFLSA-N 318.417 3.340 10 10 DGCE C[C@@H](CN1CCC[C@H](CN=[N+]=[N-])C1)C(=O)OCc1ccccc1 1912176174 VURMBCJEDHRFQG-GOEBONIOSA-N 316.405 3.388 10 10 DGCE Nc1ccc(CCC(=O)N(Cc2ccccc2)[C@@H]2CCOC2)cc1 1915429961 ACTYRESGKPKEPP-LJQANCHMSA-N 324.424 3.019 10 10 DGCE CC1(C)Cc2cccc(C(=O)NCc3c(O)cccc3F)c2O1 1471975844 JKHQFZBCOAECDH-UHFFFAOYSA-N 315.344 3.175 10 10 DGCE C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)NCc1cccc(Cl)c1O 1471348758 BDNCKNWUUYZAGI-FOUMNBMASA-N 308.809 3.137 10 10 DGCE C[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@@H](c2ccco2)C1 1629953459 AFGMZQQYALFLML-TZMCWYRMSA-N 315.369 3.233 10 10 DGCE O=C(NCc1cc(O)ccc1O)c1ccc(Cl)c(Cl)c1 1558174089 DEFYFITXYJPQGU-UHFFFAOYSA-N 312.152 3.335 10 10 DGCE CN(Cc1ccc(Cl)s1)C(=O)Cc1ccc(O)c(O)c1 1628155447 PSIZDKBGRSWKML-UHFFFAOYSA-N 311.790 3.014 10 10 DGCE CCC(=CC(=O)NC[C@H](C)NCc1ccc(OC)c(C)c1)CC 1480444393 MVEQQAPYNQSKCB-HNNXBMFYSA-N 318.461 3.344 10 10 DGCE CC[C@H](C)Oc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 1631058436 VCLOLIZBWNSNRG-LBPRGKRZSA-N 315.369 3.456 10 10 DGCE CC[C@]1(F)CCN(c2ccc(CO)c(Br)c2)C1 1925566841 RLLJCAAFFSBQSX-ZDUSSCGKSA-N 302.187 3.270 10 10 DGCE Cc1cnc(NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)[nH]1 1635667895 WWFRJJWHBJOFPE-UHFFFAOYSA-N 308.385 3.307 10 10 DGCE C[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)CC12CCCCC2 1634615912 TWBYGERMSVFSGA-CQSZACIVSA-N 317.429 3.459 10 10 DGCE CN(Cc1ccccc1O)C(=O)c1ncc(Cc2ccccc2)o1 1588156154 NAMIRAKWYWZXPX-UHFFFAOYSA-N 322.364 3.243 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1C[C@@H]1[C@H]1C[C@H]1C 1584094299 FGOJOSHLMIJDNU-AUKGUFSJSA-N 314.473 3.400 10 10 DGCE CSc1cc(O)ccc1NS(=O)(=O)Cc1ccccc1 1858060811 VSGSXOAJLHFJKN-UHFFFAOYSA-N 309.412 3.056 10 10 DGCE C(=C/c1ccccc1)\CN1CCN(/N=N/c2cccnc2)CC1 1860488259 KRCZIUGOZFARLI-HCXCTPFWSA-N 307.401 3.411 10 10 DGCE CC(C)(C)OC(=O)N[C@H](C[C@@H](N)c1ccccc1O)C1CCC1 1936970274 KISSTUVTJDOBNW-HUUCEWRRSA-N 320.433 3.476 10 10 DGCE C[C@H]1C[C@@H](C)N(CCCN=[N+]=[N-])CCN1C(=O)OC(C)(C)C 1962302510 ZCWYTZULZBUEGL-OLZOCXBDSA-N 311.430 3.407 10 10 DGCE CN1CCc2cc([C@H](O)[C@H](N)c3cscc3Cl)ccc21 2148346379 LDBHIJGITHYZBQ-CABCVRRESA-N 308.834 3.127 10 10 DGCE Oc1cc(Cl)ccc1CNCc1cc(C(F)(F)F)no1 1967752250 CIXGNVLTOMUPRI-UHFFFAOYSA-N 306.671 3.342 10 10 DGCE CN(CCCCN(C)C(=O)OC(C)(C)C)Cc1ccc(N)cc1 1977888897 VWNOTFNWMOXIPX-UHFFFAOYSA-N 321.465 3.348 10 10 DGCE C[C@H]1CC(F)(F)CN1Cc1c(O)cccc1Br 2004639060 RFZBCGPEWBFDTI-QMMMGPOBSA-N 306.150 3.384 10 10 DGCE CC(C)(C)OC(=O)N[C@H](CNCc1ccc(N)cc1)C1CCC1 1993808246 DMUOYEFEQDJAJN-MRXNPFEDSA-N 319.449 3.052 10 10 DGCE CC1=C[C@@H](NCc2cc(Br)cc(F)c2O)CC1 2007137223 NPLVGYTUTAGNTI-NSHDSACASA-N 300.171 3.492 10 10 DGCE Cc1ccc(CNCCc2nccn2Cc2ccccc2)c(O)c1 2024814106 DOCFUZOOQRGRBK-UHFFFAOYSA-N 321.424 3.278 10 10 DGCE Oc1ccc([C@H]2Nc3cc(Br)ccc3O2)cc1O 2027867862 SKTOKTRVTITHBH-ZDUSSCGKSA-N 308.131 3.363 10 10 DGCE CO[C@@H]1CC(F)(F)CC[C@H]1NCc1cc(Cl)ccc1O 2162096709 ZVJPXAGETGMHBP-DGCLKSJQSA-N 305.752 3.338 10 10 DGCE C[C@H](NCc1cc(Br)cc(F)c1O)C(C)(F)F 715815742 ZTRDOSUTNQQTIN-LURJTMIESA-N 312.129 3.427 10 10 DGCE N#Cc1cc(CN)ccc1N1CC[C@H](COCc2ccccc2)C1 384167037 SMJRSBXZQFIBDT-SFHVURJKSA-N 321.424 3.060 10 10 DGCE Cc1ccc(O)c([C@H](C)n2ncc(C(=O)OC(C)(C)C)c2O)c1 2070494701 QZSGUZAZCFVFSJ-NSHDSACASA-N 318.373 3.167 10 10 DGCE CC[C@@]1(C)C[C@@H](N(C)c2cc(Cl)c(CN)cc2F)CO1 2189339063 PYUREWTVCDOTBZ-ABAIWWIYSA-N 300.805 3.332 10 10 DGCE C[C@@H](N)c1ccc(N(C)C[C@@H]2C[C@@H]2F)cc1Br 1908963702 CSAAUTQFAMJFPP-ZDMBXUJBSA-N 301.203 3.263 10 10 DGCE CC[C@](C)(CN(C)Cc1cc(Cl)cc(OC)c1O)OC 2186323233 QMEWNFRKDVSKHI-OAHLLOKOSA-N 301.814 3.301 10 10 DGCE NCc1ccc(N2C[C@H]3CC=CC[C@H]32)c(F)c1Br 2057021613 HFHFATVYNUAZCL-GHMZBOCLSA-N 311.198 3.202 10 10 DGCE C[C@H]1CN(c2ccc(CN)c(Br)c2)CCC1(F)F 2085356990 XDWGSMVPEWFAOW-VIFPVBQESA-N 319.193 3.389 10 10 DGCE C[C@@H]1C[C@]1(F)CN(C)c1cc(Br)c(CN)cc1F 2085435340 KNSJEADQESCXTA-OQPBUACISA-N 319.193 3.231 10 10 DGCE C[C@@H](c1ccc(Cl)cc1O)N1CC[S@@](=O)C(C)(C)CC1 2203336546 NAHSVUUPSDEECJ-PRWKNARSSA-N 315.866 3.340 10 10 DGCE CN(Cc1ccc(N)cc1)Cc1nscc1Br 2214470480 AJAIWXLBHCLBGO-UHFFFAOYSA-N 312.236 3.120 10 10 DGCE NNc1cc(Sc2nccs2)c(Cl)cc1[N+](=O)[O-] 2218960697 ZGIIZHCYXRYSMA-UHFFFAOYSA-N 302.768 3.142 10 10 DGCE CC[C@@H]1CN[C@@H](C)CN1c1ccc(OC)cc1Br 2221622892 CNSNRXODCRDIHU-WDEREUQCSA-N 313.239 3.034 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@@H]1NC(=O)Cc1cccc(Br)c1 2225798628 HJVYOUBYLGNSQO-RYUDHWBXSA-N 323.194 3.339 10 10 DGCE C[C@H](OC(=O)C=Cc1ccc(N2CCOCC2)cc1)C1CCC1 2297774229 PQIPCDSFFZBNDY-HNNXBMFYSA-N 315.413 3.268 10 10 DGCE C[C@@H]1C[C@@H]1c1ccc(C=CC(=O)NCc2ccc(O)c(O)c2)o1 2301402083 OYHRBBNJYBJFOP-RISCZKNCSA-N 313.353 3.144 10 10 DGCE CO[C@H]1CCCN(Cc2ccc(C)c(Br)c2O)C1 2327797440 WLAHXYKIURNIJD-LBPRGKRZSA-N 314.223 3.074 10 10 DGCE c1cc(N2CCOCC2)ccc1CNCc1ccc2c(c1)CCC2 69707217 UKXZRFSMXFERAW-UHFFFAOYSA-N 322.452 3.302 10 10 DGCE CCN(CC(=O)Nc1cccc(Cl)c1)c1ccc(N)cc1 63114913 WUEAWQVAJMLFII-UHFFFAOYSA-N 303.793 3.387 10 10 DGCE COc1ccc(O)c([C@H](C)NC[C@@](C)(O)C2CCCCC2)c1 188680936 WZXCZZLFQOGMTB-SCLBCKFNSA-N 307.434 3.383 10 10 DGCE CC[C@H](NCC(=O)N1CCCc2ccccc21)c1ccccc1O 183311265 GQSAVHWTHZFOAJ-KRWDZBQOSA-N 324.424 3.412 10 10 DGCE CCc1cc(C)c(C(=O)NCc2ccc(N(C)C)cc2C)o1 126229717 HCDJJSMHGQGKAE-UHFFFAOYSA-N 300.402 3.455 10 10 DGCE CCCN(Cc1ccc(N)cc1)C(=O)c1ccc(Cl)cn1 79728381 JQPWKUHAPMZWSV-UHFFFAOYSA-N 303.793 3.370 10 10 DGCE C[C@H](N[C@H](C)c1ccc(-n2ccnn2)cc1)c1ccccc1O 183630270 YIDBSYFPQVULLE-KGLIPLIRSA-N 308.385 3.385 10 10 DGCE Oc1ccc(CNc2cccc(Br)c2)c(O)c1O 226748308 QUBXXHBRPLZHHV-UHFFFAOYSA-N 310.147 3.178 10 10 DGCE CN(CC[C@H](O)c1cccs1)c1ccc(CN)c(Cl)c1 2366232453 HLQZVPKQULXMCL-AWEZNQCLSA-N 310.850 3.420 10 10 DGCE Cc1cc(=O)n2nc(O)c(N=Nc3cccc(Cl)c3)c2[nH]1 334159021 DPVNIJDHYIKIKV-UHFFFAOYSA-N 303.709 3.105 10 10 DGCE COc1ccc(CN2CCO[C@H](c3ccccc3F)C2)c(O)c1 92975415 RJRBKSXPGWHIKK-SFHVURJKSA-N 317.360 3.113 10 10 DGCE COc1ccc(CN2CCO[C@H](c3cccs3)C2)c(O)c1 92594900 FDDKBPMUIKMZFI-HNNXBMFYSA-N 305.399 3.036 10 10 DGCE CN(C)c1ccc(CNc2ccc(N3CCC3=O)cc2)cc1F 282168357 JBUKOXVRJBSQDX-UHFFFAOYSA-N 313.376 3.241 10 10 DGCE C[C@H]1CC[C@@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1O 805865959 FWYCMWWJEYZGMW-CPCISQLKSA-N 303.189 3.297 10 10 DGCE C[C@H](N[C@H]1C[C@@H]1C(F)F)c1cc(Br)ccc1O 806170335 YRZJAMCPQAEPLX-JUWDTYFHSA-N 306.150 3.459 10 10 DGCE Nc1ccc2c(c1)CN(Cc1c(O)cccc1Cl)CCO2 903947355 SCJVBWCXVNMHIU-UHFFFAOYSA-N 304.777 3.022 10 10 DGCE [N-]=[N+]=NCCCNS(=O)(=O)c1cc(Cl)sc1Cl 42013233 QHFZZOXPTXKTIU-UHFFFAOYSA-N 315.207 3.034 10 10 DGCE CCOc1ccc(CN[C@H](c2ccccc2F)[C@H](C)O)c(O)c1 846016914 KLAPLTPHOSVILZ-SGTLLEGYSA-N 319.376 3.142 10 10 DGCE CC(C)[C@H](NCc1cccc(Cl)c1O)C1(CO)CC=CC1 843433253 VABWHSJKDIXQMT-INIZCTEOSA-N 309.837 3.489 10 10 DGCE C[C@H](N)c1ccc(CNCc2c(O)ccc(Cl)c2F)cc1 841028604 FKQHMDPNWPMDEE-JTQLQIEISA-N 308.784 3.494 10 10 DGCE COc1cccc([C@@H](C)N[C@@H](CO)c2sccc2C)c1O 846155232 RXUCHGUSOZQZPY-YPMHNXCESA-N 307.415 3.155 10 10 DGCE O=C(NCc1ccc(O)cc1O)[C@H]1CC[C@@H]1c1ccc(F)cc1 910954963 BNUJUJVBPPHHAU-CVEARBPZSA-N 315.344 3.047 10 10 DGCE CC[C@H](NC[C@H](C)N1C[C@H](C)O[C@H](C)C1)c1ccc(C)cc1O 848558470 QKHMLLKXOOVTTG-CUSZFKRNSA-N 320.477 3.239 10 10 DGCE CC[C@H](NCCc1cncc(C)n1)c1cccc(Cl)c1O 850549633 IQNCLSTYNTWWDE-HNNXBMFYSA-N 305.809 3.427 10 10 DGCE Cc1ccc(O)c(CNC(=O)NCC(C)(C)C(F)(F)F)c1 858430208 QATBEWLVWIKQHB-UHFFFAOYSA-N 304.312 3.088 10 10 DGCE Nc1ccc(NC(=O)N2CCC[C@H](Cc3nccs3)C2)cc1 926143329 OFEIWHLCBMMOKY-GFCCVEGCSA-N 316.430 3.212 10 10 DGCE CC(C)(C)OC(=O)[C@H]1CCN(Cc2c(O)cccc2Cl)C1 769503847 OTHNUVPGHVGNJZ-NSHDSACASA-N 311.809 3.209 10 10 DGCE c1cc(N2CCCCC2)ccc1CN[C@@H]1[C@H]2C[C@@H]3CO[C@H]1[C@H]3C2 865694639 SZHAKFMKSBXLSL-ZRSLWSEBSA-N 312.457 3.190 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)NC2CCC3(CC2)CC3)c1 765587986 XNADVBGSGDGAGJ-LBPRGKRZSA-N 318.417 3.484 10 10 DGCE O=C([C@@H]1C[C@]12CCc1ccccc12)N1Cc2cccc(O)c2C1 871202385 GFQAHPADPZZEBQ-PXNSSMCTSA-N 305.377 3.139 10 10 DGCE Oc1ccc(NC[C@@H]2CCN(c3ccc4c(c3)OCO4)C2)cc1 76440029 BNHVBPVJIOKWIN-ZDUSSCGKSA-N 312.369 3.059 10 10 DGCE COc1cc(C)cc(CNC[C@H]2CCC3(CCCC3)O2)c1O 895189199 BNORRHZYDUFJOX-OAHLLOKOSA-N 305.418 3.291 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)[C@H]1CCN1C(C)(C)C 1139123829 KZRIGLLTLKAWCV-MRXNPFEDSA-N 318.461 3.394 10 10 DGCE C[C@@H]1CN(Cc2ccccc2)C[C@H]1NCc1cccc(F)c1O 389837858 LINHCLJMTLPWJB-RDTXWAMCSA-N 314.404 3.141 10 10 DGCE CN(Cc1ccc(Br)cc1O)C[C@@H]1CCCCO1 691674550 GBURVNJAGJUAFK-ZDUSSCGKSA-N 314.223 3.156 10 10 DGCE CN(C)/C=C1/SC(=S)N(c2ccc(Cl)cc2F)C1=O 1088685775 AVEXCACFGYIXLC-UXBLZVDNSA-N 316.810 3.247 10 10 DGCE C[C@@H]1CC(C)(C)C[C@](C)(NC(=O)Cc2ccc(O)c(O)c2)C1 1303326686 AHXUZNFYPVDYGS-KZULUSFZSA-N 305.418 3.361 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1 1156206088 NETSDZUYDJMCCT-CABCVRRESA-N 308.341 3.135 10 10 DGCE CC/C=C(\C)C(=O)NCC[C@H](C)NCc1ccc(OC)c(C)c1 1328312224 BLINVRNJWDAAIJ-KAMPRCONSA-N 318.461 3.344 10 10 DGCE CC(=O)C(=O)COC(=O)[C@@H](CC(C)C)c1ccc(Cl)cc1 1327148423 LWWITLXUVGYVFE-AWEZNQCLSA-N 310.777 3.171 10 10 DGCE c1ccc(CN2CC[C@@H]2CNCc2ccc3c(c2)CCCO3)cc1 1656682307 HNAOEHCZKQOWRM-HXUWFJFHSA-N 322.452 3.376 10 10 DGCE Cc1ccc(C(=O)N(C)c2cccc3cccnc23)c(O)c1O 1296859606 YCGKELNXHMQFIF-UHFFFAOYSA-N 308.337 3.231 10 10 DGCE CCCN(c1ccc([C@@H](C)O)cc1Br)C1COC1 1915723704 JNPICFDBWDUCJO-SNVBAGLBSA-N 314.223 3.118 10 10 DGCE O=C(NCc1ccc(O)cc1O)c1ccc(F)c2ccccc12 1451763187 AADWQVHFLLIXLE-UHFFFAOYSA-N 311.312 3.320 10 10 DGCE C[C@H](C(=O)NCc1cccc(O)c1O)c1cn(C)c2ccccc12 1455314755 JAQGQWWCHOKKJX-LBPRGKRZSA-N 324.380 3.009 10 10 DGCE CC(C)OCCCC(=O)N(C)Cc1ccc(N2CCCC2)cc1 1525106309 FNJXDXZEHNKMSO-UHFFFAOYSA-N 318.461 3.450 10 10 DGCE CCCCNCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(OC)c1 212668937 QLXGAOSYBPAWQD-GJZGRUSLSA-N 306.450 3.199 10 10 DGCE C[C@@H](Sc1ccc(F)cc1)C(=O)NCc1ccc(O)c(O)c1 1465953297 DZBCUAJQIPZMFL-SNVBAGLBSA-N 321.373 3.034 10 10 DGCE C[C@@H](NCCC(=O)Nc1ccc(F)cc1)c1ccccc1O 1473723391 FACATHCRZARGQC-GFCCVEGCSA-N 302.349 3.211 10 10 DGCE C[C@H]1C[C@H]1n1c(CC2CC2)nnc1N(C)Cc1ccccc1O 1708002016 ORWHUJXTKXXKFK-SWLSCSKDSA-N 312.417 3.154 10 10 DGCE Cc1[nH]nc(C(F)F)c1NC(=O)c1ccc(N=NC(N)=O)cc1 1636389061 MFUZUEXITUYPOQ-UHFFFAOYSA-N 322.275 3.070 10 10 DGCE CCN(Cc1ccc(N)cc1)c1nc(C(F)(F)F)ns1 228795128 UIOCPRSKDFGGKD-UHFFFAOYSA-N 302.325 3.166 10 10 DGCE C/C(=C\c1ccncc1)C(=O)NCc1cc(Cl)ccc1O 1644590811 QBEQXJMQTCASEL-DHZHZOJOSA-N 302.761 3.160 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CC12CCC2 1675794262 LTYQJDRJFSSYNJ-MRXNPFEDSA-N 300.402 3.013 10 10 DGCE CN(C)c1ccc([C@H]2CN(Cc3ccc(N)cc3)C(=O)O2)cc1 585898063 WXKFPBVGPAOONL-QGZVFWFLSA-N 311.385 3.028 10 10 DGCE CN[C@H](c1ccccc1O)[C@H](NC(=O)OC(C)(C)C)C1(C)CC1 1937586414 YZMDYJPSMHQIHQ-CABCVRRESA-N 320.433 3.346 10 10 DGCE Cc1ccc(O)c(CNCC(=O)Nc2ccccc2Cl)c1 1857858174 WWABHBJTAOFNKA-UHFFFAOYSA-N 304.777 3.082 10 10 DGCE CCN(CC1CCN(CCN=[N+]=[N-])CC1)C(=O)OC(C)(C)C 1962299721 OCAUAUSKSQIKBP-UHFFFAOYSA-N 311.430 3.266 10 10 DGCE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]2CC[C@H](C1)N2CCN=[N+]=[N-] 1962302257 YRMMCPHQOMRXGJ-XYYAHUGASA-N 309.414 3.064 10 10 DGCE C[C@@H]1[C@@H](CNCc2cccc(Br)c2O)C1(F)F 1947969987 IKJYVCIRVBKDOH-VXNVDRBHSA-N 306.150 3.146 10 10 DGCE Oc1cc(F)ccc1CNC[C@@H]1CCN(Cc2ccccc2)C1 1964556900 REJSSACWSZTLLU-INIZCTEOSA-N 314.404 3.143 10 10 DGCE COc1cc(Cl)cc(CNC[C@@H](C)OC(C)(C)C)c1O 1967914616 ITCKNUIGPDFYLI-SNVBAGLBSA-N 301.814 3.347 10 10 DGCE CC(C)[C@@](N)(CNC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1977944243 CKTMQCJVXQYNDE-SFHVURJKSA-N 321.465 3.087 10 10 DGCE CN(Cc1ccc(N)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1977924345 DZBYDLBKQKOAHM-INIZCTEOSA-N 319.449 3.100 10 10 DGCE CCn1cnc(NCc2cc(Br)cc(F)c2O)c1 2028672223 HRZUBVOTGSVKAM-UHFFFAOYSA-N 314.158 3.122 10 10 DGCE Cc1nn(C)c(C)c1C=CC(=O)N1CCSc2ccccc21 2040437057 IGHPQYNCJMMTGX-UHFFFAOYSA-N 313.426 3.189 10 10 DGCE CN(c1cc(Br)c(CN)cc1F)C1[C@H]2CCC[C@H]12 2033885629 UQOJONABJSODPT-UWVGGRQHSA-N 313.214 3.282 10 10 DGCE Oc1ccc(Br)cc1CNC[C@H]1CCCCCO1 2035190053 SUJKFTDLLNYWGL-CYBMUJFWSA-N 314.223 3.204 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)c2ccccc2Br)C1 403674648 ORUMLABCNRXDIE-SECBINFHSA-N 309.167 3.364 10 10 DGCE C[C@H](NCc1cncc(Br)c1)c1ccc(O)cc1O 703002923 KNTCUIRRLWVZTM-VIFPVBQESA-N 323.190 3.106 10 10 DGCE C[C@@H]1O[C@H](C)[C@H](NCc2c(O)cccc2Br)[C@@H]1C 706883730 XRYHMOYNVUXNOQ-QOBXEIRBSA-N 314.223 3.056 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C3CC3)ccn2)c1 2063692671 IKLFCHNQVZOEGG-LLVKDONJSA-N 312.369 3.164 10 10 DGCE O=C(OCc1ccccc1)N1CCc2c(F)ccc(O)c2C1 2081101521 PJYDVGRJOGVOMR-UHFFFAOYSA-N 301.317 3.226 10 10 DGCE C[C@@H](N)c1ccc(N(C)[C@]2(C)CCOC2)cc1Br 2055447016 ALXWXFVCIOQZNS-QMTHXVAHSA-N 313.239 3.084 10 10 DGCE Cn1nc(CNCc2c(O)cccc2Cl)c(Cl)c1Cl 2094364928 UYGLSVSFCOHSBR-UHFFFAOYSA-N 320.607 3.376 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)Nc1nccc2sccc12 2309032974 OTOIKICENYZROG-UHFFFAOYSA-N 312.350 3.359 10 10 DGCE Cc1ccc(CNC(=O)[C@H]2C=CCC2)c(O)c1Br 2327796339 FXJOEXUCKVVZQW-JTQLQIEISA-N 310.191 3.046 10 10 DGCE COc1cccc(CNC(=O)CCCc2ccc(C)cc2)c1O 68489310 BYZLZDSAGHDSSC-UHFFFAOYSA-N 313.397 3.348 10 10 DGCE CC(C)NCc1ccc(N2C[C@@H](C)N(C)[C@H](C)C2)c(Cl)c1 127946357 NGYJTVCRLXVIPO-ZIAGYGMSSA-N 309.885 3.367 10 10 DGCE CSc1ncc(CN=c2[nH]cc(C(F)(F)F)s2)s1 2208578875 WVRXMPTXHDIIOG-UHFFFAOYSA-N 311.379 3.374 10 10 DGCE Cc1ccc(C[C@H](C)N(C)C(=O)c2ccc(C)c(O)c2O)cc1 182483551 GZQCVWHGOWFXIT-AWEZNQCLSA-N 313.397 3.418 10 10 DGCE COc1cc(OC)c(N2CCC[C@H](NC(C)C)C2)cc1Cl 71198066 UCWVOPQEVPJIAS-LBPRGKRZSA-N 312.841 3.324 10 10 DGCE CCO[C@@H]1C[C@@H]1COC(=O)c1cc(C)n(-c2ccccn2)c1C 193219050 WSRAZOPMHQSUQZ-GDBMZVCRSA-N 314.385 3.071 10 10 DGCE C[C@H](N[C@H]1CCO[C@@]2(CCSC2)C1)c1ccc(F)cc1O 248529448 WUJKBQBVWXWIRB-RBOXIYTFSA-N 311.422 3.237 10 10 DGCE Cc1c(/C=C\C(=O)N(CC(F)(F)F)c2ccccc2)cnn1C 254956049 LRSXQVZNOHESIY-HJWRWDBZSA-N 323.318 3.337 10 10 DGCE CCCN(CCC)c1ccc(CNCC2([S@@](C)=O)CC2)cc1 282511396 XLNOQKNGBCWVIO-JOCHJYFZSA-N 322.518 3.314 10 10 DGCE CCCN(CCC)c1ccc(CN2CCNC(=O)C[C@@H]2C)cc1 809765256 NFCBPMJKIMVQMM-INIZCTEOSA-N 317.477 3.023 10 10 DGCE COc1cc2c(cc1F)CC[C@@H]2NC(=O)c1cc(O)cs1 802659614 XDTRKFMXTNLFCB-LBPRGKRZSA-N 307.346 3.019 10 10 DGCE C[C@@H]1C[C@H](NCc2ccc(N3CCC(CO)CC3)cc2)[C@@H]1C 813856164 XYCJGIJFIOIYPC-CLCXKQKWSA-N 302.462 3.029 10 10 DGCE C[C@H]1CN(c2ccc(CNCc3ccoc3)cc2F)C[C@@H](C)O1 727466737 DYDBNTQHTMCFJA-OKILXGFUSA-N 318.392 3.322 10 10 DGCE C[C@H](CCCCC(=O)O)NC/C=C/c1ccc(N(C)C)cc1 903990911 FFDJBRIYYSYZNN-PMGBHYCQSA-N 304.434 3.389 10 10 DGCE COc1cccc(CN(CCN)Cc2cccc(Cl)c2)c1O 903953367 DJXKPHZCILILMZ-UHFFFAOYSA-N 320.820 3.015 10 10 DGCE CN(C)c1ccc(/C=C\CN(C)C2CCC(CO)CC2)cc1 835054165 RPNFRZGJEOHLDZ-PLNGDYQASA-N 302.462 3.249 10 10 DGCE Cc1nnc([C@@H](C)NC/C=C\c2ccc(N(C)C)cc2)s1 835046930 AJKMQVVFLJPBNW-FOQNGQEVSA-N 302.447 3.277 10 10 DGCE CN(C)c1ccc(CN[C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)cc1 842783991 KHHGAPWPIFRXML-JKSUJKDBSA-N 318.461 3.353 10 10 DGCE Cc1cc(Cl)cc(CN[C@H]2c3ccccc3C[C@@H]2O)c1O 848925604 AHFFJHHECFGJRC-HOTGVXAUSA-N 303.789 3.102 10 10 DGCE C[C@@H]1C[C@@]1(CCOc1ccc(N)cc1)NC(=O)OC(C)(C)C 1952520299 XTRZSANXBOQJMP-SJKOYZFVSA-N 306.406 3.341 10 10 DGCE Cc1ccc(C2CCN(C(=O)Nc3ccc(N)cc3)CC2)cn1 841295910 JIKYJXINTLJMNC-UHFFFAOYSA-N 310.401 3.384 10 10 DGCE COc1cccc(O)c1CNCc1ccc2c(c1)OC(F)(F)O2 842725210 RYBXWXPVSGRDER-UHFFFAOYSA-N 323.295 3.012 10 10 DGCE COc1cccc([C@H](C)N[C@@H](C2CC2)[C@@H]2CCCOC2)c1O 927066562 MLDZBMNBLFCMST-QEORTHHSSA-N 305.418 3.257 10 10 DGCE C[C@H](NC(=O)NC[C@@H]1CCC[C@@H](C)O1)c1ccc(N(C)C)cc1 852261109 KSCDXGWCKJMRAW-KEYYUXOJSA-N 319.449 3.070 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)/C=C\C3CCCC3)C2)cc1 855226761 UBHBACCCMREKQM-BCTQVIJGSA-N 314.429 3.137 10 10 DGCE C[C@@H]1C[C@@H]2C[C@H]2C[C@@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 929531899 JWMWMEVDOJTUAM-KBEGMRNHSA-N 300.446 3.393 10 10 DGCE CCOc1ccc(O)c(CNCC(C)(C)C(O)(CC)CC)c1 850353424 CAKLRDNWDMKKOU-UHFFFAOYSA-N 309.450 3.458 10 10 DGCE COc1ccc(O)c([C@@H](C)NCc2nc(C(C)C)ns2)c1 930213354 HVAAQIRKEGWHSR-SNVBAGLBSA-N 307.419 3.227 10 10 DGCE C[C@]1(c2ccccc2)CCN(Cc2cc3c(cc2O)OCO3)C1 755929380 BWJQXEGPDUABIE-IBGZPJMESA-N 311.381 3.285 10 10 DGCE COC(=O)c1cnc(Sc2cc(CC(C)C)ncn2)s1 865843651 RDNRVONQGWYXAE-UHFFFAOYSA-N 309.416 3.069 10 10 DGCE CCc1cc(C(=O)NCc2ccc(N(C)C)cc2)oc1CC 767817849 ZIONDUIRGCYMNT-UHFFFAOYSA-N 300.402 3.400 10 10 DGCE COc1ccc(N2CC[C@H](Nc3nccnc3C(F)F)C2)cc1 1118537609 PWIPYIJSWSAVSU-NSHDSACASA-N 320.343 3.114 10 10 DGCE Cc1cccc(CC2CN(C(=O)/C=C\c3ccc(O)c(O)c3)C2)c1 779530207 WJWRUYCTPNBISG-VURMDHGXSA-N 323.392 3.121 10 10 DGCE C[C@]1(CNCc2ccc(F)c(F)c2O)CCOC2(CCC2)C1 895822021 MFQSHLGVDSJLDR-INIZCTEOSA-N 311.372 3.499 10 10 DGCE O=C(Nc1cccc2c1CN(C1CC1)C2)c1cc(O)cs1 1137992745 KWGBUBDXXILOTB-UHFFFAOYSA-N 300.383 3.184 10 10 DGCE CC(C)(C)OC(=O)NCCCCCNCc1ccccc1O 397920704 LAHUIURCDHSDEI-UHFFFAOYSA-N 308.422 3.177 10 10 DGCE C[C@@H]1CCC[C@H](CN)N1Cc1cc(Cl)cc(Cl)c1O 70150873 SCVUGPWCDJKELG-BXKDBHETSA-N 303.233 3.401 10 10 DGCE Cc1cc(Cl)cc(C(=O)N(C)Cc2ccccc2O)c1N 1149871513 FTCBXXWAHDVASE-UHFFFAOYSA-N 304.777 3.208 10 10 DGCE O=[N+]([O-])c1ccc(O)c(CNC23C[C@H]4C[C@@H](CC(F)(C4)C2)C3)c1 1335164457 FUCATSZPFGRKBY-MQAIEQDTSA-N 320.364 3.451 10 10 DGCE [N-]=[N+]=N[C@H]1CCN(C[C@@H]2Cc3cc(Br)ccc3O2)C1 1912184505 FRBNGUFTLNCZJK-RYUDHWBXSA-N 323.194 3.137 10 10 DGCE C[C@H](N)c1ccc(N(Cc2ccccc2)[C@@H]2CCOC2)cc1O 1915433561 CFCATYPLGNZLSP-WMLDXEAASA-N 312.413 3.207 10 10 DGCE CO[C@@H]1CCN(c2ccc([C@@H](C)O)cc2Br)[C@@H]1C 1914236548 OFCPQNBKTFXZLK-GPCCPHFNSA-N 314.223 3.116 10 10 DGCE CC(C)(CO)N(Cc1ccccc1)c1c(F)cc(CO)cc1F 1915628372 IRFNGDGROMKJOK-UHFFFAOYSA-N 321.367 3.235 10 10 DGCE Cc1ccc(C(=O)N2CC([C@@H]3CCC[C@H](C)C3)C2)c(O)c1O 1455012253 YONIHULFEWGVLE-WCQYABFASA-N 303.402 3.305 10 10 DGCE C[C@H](NC(=O)[C@@H]1CCOc2c(F)cccc21)c1ccccc1O 1557968558 IPCZHQVQJIJQPH-SMDDNHRTSA-N 315.344 3.275 10 10 DGCE Cc1c(F)ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1N 1624479747 MFQZWWIKOHPIQJ-UHFFFAOYSA-N 315.392 3.055 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(O)c(CC)c1 1568737908 SBNDDJSXNJTDSZ-UHFFFAOYSA-N 320.385 3.076 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)N1C[C@@H](C2CC2)C[C@H]1C1CC1 1648059113 YRFBDHXZGUWAEP-WKSPPQMESA-N 313.397 3.148 10 10 DGCE c1cc(N2CCCC2)ccc1CN[C@@H]1CCO[C@@H](C2CC2)C1 1650919128 QZPDESGLUXIVPN-IEBWSBKVSA-N 300.446 3.334 10 10 DGCE CCN(C[C@H](C)[C@H](N)c1ccccc1O)C(=O)OC(C)(C)C 1928469113 DQOFBSVWUDFNBB-WFASDCNBSA-N 308.422 3.285 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H](C)C1(C)CC1 1683426282 WPQPUFNFBOAPQB-GJZGRUSLSA-N 317.477 3.480 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccn2ccnc2c1 156716888 SEFYZWZOZXNUIJ-UHFFFAOYSA-N 322.412 3.063 10 10 DGCE CC(=O)N1CCN(/N=N/c2ccc(Cl)c(Cl)c2)CC1 1860482564 ULAVSNVKJCDUNF-FOCLMDBBSA-N 301.177 3.156 10 10 DGCE COC1CC(CCNCc2ccc(Br)cc2O)C1 826797747 XZKBSFFMCKHPLF-UHFFFAOYSA-N 314.223 3.059 10 10 DGCE COc1ccc(CN[C@H]2CC[C@H]2NC(=O)OC(C)(C)C)cc1C 1986711010 AAGLUOXMHWNACC-LSDHHAIUSA-N 320.433 3.149 10 10 DGCE C[C@H](O)c1ccc(N2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)cc1 2014344084 WEOGTCYZGGPIEU-MDKPJZGXSA-N 322.452 3.451 10 10 DGCE Cc1cc(CO)ccc1N1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 2014343673 RTBUMTUWBFINPA-PMACEKPBSA-N 322.452 3.198 10 10 DGCE CCNCc1ccc(N2CC(C3CC3)C2)cc1Br 2036152028 GHTPHDWAZYMLDQ-UHFFFAOYSA-N 309.251 3.405 10 10 DGCE CC(C)[C@@H]1C[C@@H](NCc2cc(Br)ccc2O)CO1 691487933 MMBZEMVPUBYPSA-OCCSQVGLSA-N 314.223 3.058 10 10 DGCE C[C@@]1(C(F)(F)F)CN(Cc2cccc(Cl)c2O)CCO1 712804157 WKYUIAOEHQRHPV-LBPRGKRZSA-N 309.715 3.199 10 10 DGCE Cc1cnn(Cc2c(O)cccc2Cl)c1Br 2070299934 NNPSAGYUPNFZLC-UHFFFAOYSA-N 301.571 3.361 10 10 DGCE FC(F)(F)[C@H]1C[C@H](NCc2ccc3c(c2)CCO3)CS1 2189226548 SFGWOWJWBWEWDC-WCQYABFASA-N 303.349 3.148 10 10 DGCE CN[C@H]1CCc2cc(N3CC=C(Br)CC3)ccc21 2065061257 MGLLVGXMCRMISG-HNNXBMFYSA-N 307.235 3.382 10 10 DGCE CCNCc1ccc(N(C)[C@@H]2CCOC[C@H]2F)c(Cl)c1 2186754796 PQZSMHGCJVEMLT-UKRRQHHQSA-N 300.805 3.013 10 10 DGCE Cc1cc([C@@H](C)O)ccc1N1CCN(Cc2ccccc2)CC1 2212702074 QVLZXZBLLMCIBB-QGZVFWFLSA-N 310.441 3.371 10 10 DGCE COc1ccc(N(C)C2(CO)CCSCC2)cc1Cl 2226925815 YCLHSWDMSJLHRM-UHFFFAOYSA-N 301.839 3.043 10 10 DGCE COc1cccc(CNc2cnccc2Br)c1O 2264160928 RSNJYNLIEXVIGS-UHFFFAOYSA-N 309.163 3.170 10 10 DGCE COc1ccc(CNCc2cnc(SC)s2)c(F)c1F 2295650738 HJFZQCMASRISLL-UHFFFAOYSA-N 316.398 3.442 10 10 DGCE [N-]=[N+]=NC1CCN(C(=O)c2c(Cl)ccc(Cl)c2N)CC1 2286944005 YUFQISOSMDDKPZ-UHFFFAOYSA-N 314.176 3.491 10 10 DGCE C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)C=Cc1ccc(O)c(O)c1 2307987333 SRBCKDVDFHXUQJ-BPLDGKMQSA-N 301.386 3.291 10 10 DGCE Cc1ccc(CN2CC[C@@H](N=[N+]=[N-])C2)c(O)c1Br 2327798870 NKZIPWPXFKVEOX-SNVBAGLBSA-N 311.183 3.348 10 10 DGCE C[C@@H]1c2ccccc2O[C@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 117747301 HRPRENCQDFEVNI-AUUYWEPGSA-N 324.424 3.276 10 10 DGCE C[C@H](NC[C@@H](c1cccs1)N(C)C)c1ccc(O)cc1O 21511941 DBXUZFKMGYBRDE-FZMZJTMJSA-N 306.431 3.113 10 10 DGCE CNC(=O)c1cccc(N[C@@H](C)c2ccc(F)c(F)c2O)c1 187885475 PYEFNYCFSDIJOH-VIFPVBQESA-N 306.312 3.203 10 10 DGCE COc1cccc([C@@H](CN)N(Cc2ccccc2)C(C)C)c1O 32071066 PSPFMNYYVPMGDQ-QGZVFWFLSA-N 314.429 3.311 10 10 DGCE CC(C)OCCN1CCC(N[C@H](C)c2ccc(F)cc2O)CC1 185637201 YEZXKAJXZDYCTQ-CQSZACIVSA-N 324.440 3.071 10 10 DGCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C/C(C)(C)C 264665150 WWKHOBNBVLRMCM-MDZDMXLPSA-N 316.445 3.084 10 10 DGCE CC[C@H](CC(F)F)C(=O)N1CCOc2cc(N(C)C)ccc21 457612287 MAPMZVIIVUAHGN-LLVKDONJSA-N 312.360 3.159 10 10 DGCE Cc1cc(Cl)cc(CN2CCC(c3cnc[nH]3)CC2)c1O 378440130 ZKIXPWFDSGECDW-UHFFFAOYSA-N 305.809 3.457 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCC[C@H]1OC 293376485 MKOIRPRTLDKXKC-NVXWUHKLSA-N 305.418 3.336 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2C[C@H]2c2ccccc2)c1 802782586 YMGACMFKWSEKKH-AFAVFJNCSA-N 311.381 3.382 10 10 DGCE Cc1cc(Cl)cc([C@@H](C)NC[C@@H](CO)c2cccnc2)c1O 808717177 ATYFXBJVALOUQN-OCCSQVGLSA-N 320.820 3.176 10 10 DGCE c1cc(N2CCCCC2)ccc1CN[C@@H]1CO[C@H](C2CC2)C1 825167640 OEKNSFYMDOZOLX-HKUYNNGSSA-N 300.446 3.334 10 10 DGCE CN(C)c1ccc(CNCC2=CCOCC2)c(C(F)(F)F)c1 824597282 PXRMHZRDQPDBBX-UHFFFAOYSA-N 314.351 3.208 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCC[C@@H](C)O1 822411897 QNVFUENYRNMANZ-ZBFHGGJFSA-N 320.433 3.271 10 10 DGCE CC(C)CN(C/C=C\c1ccc(N(C)C)cc1)CCC(=O)O 901592620 GPEIQVSDOZSKSU-WAYWQWQTSA-N 304.434 3.199 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCC[C@H](c3nccn3C)C2)cc1 835048028 DRHDQWLSVNRUGL-SUZKBHRPSA-N 324.472 3.379 10 10 DGCE COC(=O)c1cnc(SCCOC2CCCCC2)s1 917778376 QZWBJWYFAXPFAY-UHFFFAOYSA-N 301.433 3.371 10 10 DGCE Cc1cc(N(C)C)ccc1CN1CCC[C@@]2(CCCOC2)C1 840916304 ITQQOBCRBXBJLX-LJQANCHMSA-N 302.462 3.454 10 10 DGCE Cc1cc(C)c(O)c([C@@](C)(CC(=O)O)NC(=O)OC(C)(C)C)c1 687739234 WAUOQOMVYCZQLL-QGZVFWFLSA-N 323.389 3.224 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)NCC[C@@H]1CC[C@H]2C[C@H]12 924391693 PXMWSZMHFSDCTH-XYJFISCASA-N 315.461 3.330 10 10 DGCE CCC(CC)n1nc(C(=O)NCc2c(O)cccc2F)cc1C 928708754 SMBOSHWQHJRBQA-UHFFFAOYSA-N 319.380 3.327 10 10 DGCE CC(C)[C@@H](NC/C=C/c1ccc(N(C)C)cc1)c1cnn(C)c1 922894301 OXGZPTIJRADJQX-OVKVCFKUSA-N 312.461 3.486 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1CCCc1ccc(N)cc1 1952924568 FRCKGMQKCAFOSG-CVEARBPZSA-N 320.433 3.274 10 10 DGCE COc1ccc(N(C[C@H](OC)[C@H]2CCOC2)C(C)C)cc1F 851835668 DGEDLVHHFGOVGI-GUYCJALGSA-N 311.397 3.101 10 10 DGCE Cc1ccc(O)c([C@H](C)N[C@@H]2CNCC[C@@H]2c2ccccc2)c1 854223751 VMWWGEYSUCXEEK-KVSKMBFKSA-N 310.441 3.497 10 10 DGCE CCc1ccc(NS(=O)(=O)c2cc(F)cc(F)c2O)cc1 753019044 PORJVUFMIZZSFA-UHFFFAOYSA-N 313.325 3.034 10 10 DGCE CN1CCCc2cc(CN[C@H]3CCN(C)C(C)(C)C3)ccc21 858116008 HYLPOEDJLYBVCO-KRWDZBQOSA-N 301.478 3.031 10 10 DGCE C[C@H](NCCC[C@@H]1CCCC[C@H]1O)c1cc([N+](=O)[O-])ccc1O 756758434 GUAYQSMRKKOWCB-HEHGZKQESA-N 322.405 3.282 10 10 DGCE C[C@H](N[C@@H]1CCC[C@@H]1Cc1cnn(C)c1)c1cc(F)ccc1O 850541086 ROOICCDSPAQWOX-DXCKQFNASA-N 317.408 3.327 10 10 DGCE CCc1ccc(C(=O)CCC(=O)N2Cc3cccc(O)c3C2)cc1 871198198 HFMNHNPKUSGRRQ-UHFFFAOYSA-N 323.392 3.460 10 10 DGCE Oc1cccc(F)c1CNCc1ccc(Br)o1 1462597185 XYFMDHOJSIPIKG-UHFFFAOYSA-N 300.127 3.177 10 10 DGCE CCCCCCNC[C@H]1CCN(c2ccc3c(c2)OCO3)C1 76439850 BHSLBIMKYASGRI-OAHLLOKOSA-N 304.434 3.412 10 10 DGCE COC1(CNCc2cc(C)cc(Br)c2O)CCC1 781640078 ZUEQLXYHOSLCAL-UHFFFAOYSA-N 314.223 3.122 10 10 DGCE Cc1c(C(=O)NCc2ccc(N3CCCCC3)cc2)ccn1C 798935031 JVFSCKTWQPWDRW-UHFFFAOYSA-N 311.429 3.254 10 10 DGCE Oc1ccccc1CNCc1ccc(Br)cc1O 691455886 RWOVHAWETOYKSK-UHFFFAOYSA-N 308.175 3.150 10 10 DGCE CCC[C@H]1COC[C@@H]1NCc1ccc(Br)cc1O 691454409 LEEHXQMMXMTAFM-AAEUAGOBSA-N 314.223 3.059 10 10 DGCE CCC[C@@H]1COC[C@@H]1NCc1ccc(Br)cc1O 691454412 LEEHXQMMXMTAFM-YPMHNXCESA-N 314.223 3.059 10 10 DGCE CON(CCCN[C@H](C)c1ccccc1O)C(=O)OC(C)(C)C 694673724 NHERAHPLCJHYMR-CYBMUJFWSA-N 324.421 3.231 10 10 DGCE O=C(Cc1ccc(C(F)(F)F)cc1)N1Cc2cccc(O)c2C1 1302788122 ULIWUUYDPGYFCT-UHFFFAOYSA-N 321.298 3.496 10 10 DGCE Cc1cc(N2CC3(CN(Cc4ccccc4)C3)C2)ccc1[C@@H](C)N 2248950203 PRETTZNWZJIMMB-QGZVFWFLSA-N 321.468 3.337 10 10 DGCE COC(=O)COc1ccc(N(C)CCCC(C)(F)F)cc1 1351286418 DINBFWAYGQUZNZ-UHFFFAOYSA-N 301.333 3.110 10 10 DGCE Cc1cc(N(Cc2ccccc2)[C@@H](CO)C2CC2)ccc1CN 1915175823 DCSQUKNKYPRADG-FQEVSTJZSA-N 310.441 3.231 10 10 DGCE O=C(Nc1scnc1-c1ccccc1)c1cccc(O)c1O 1292845933 AVFWLNYWCPJOFL-UHFFFAOYSA-N 312.350 3.474 10 10 DGCE CN1CCCc2cc(CNC(=O)c3cc4c([nH]3)CCCC4)ccc21 1464518518 KAZAJGXBULTWSJ-UHFFFAOYSA-N 323.440 3.206 10 10 DGCE CCC(C)(C)C(=O)N(C)C[C@H](C)NCc1ccc(OC)c(C)c1 1700763712 HOERHFFJXOTYMB-HNNXBMFYSA-N 320.477 3.376 10 10 DGCE C[C@@H](NC(=O)CCOc1ccccc1F)c1ccccc1O 1471193565 FXQQZGPQWIDYKJ-GFCCVEGCSA-N 303.333 3.178 10 10 DGCE CC[C@@H](C)CC(=O)NC[C@H](C)NCc1ccc(OC)c(C)c1 1491441022 IFSLILXCLHYHBC-HIFRSBDPSA-N 306.450 3.034 10 10 DGCE CCCN(Cc1ccc(N(C)C)cc1)[C@@H](CC)C(=O)OCC 1645268825 CSJNHRHUWFIGJI-KRWDZBQOSA-N 306.450 3.306 10 10 DGCE Cc1cc(CN2CCO[C@](C)(C(F)(F)F)C2)ccc1N(C)C 1659853849 OYBUSWKLMVNFPA-HNNXBMFYSA-N 316.367 3.214 10 10 DGCE O=C(NCc1c(O)cccc1O)[C@H]1CC[C@@H]1c1ccc(F)cc1 1652629086 WDYJZYSEAOZXBM-KGLIPLIRSA-N 315.344 3.047 10 10 DGCE COc1ccc2c(c1)C[C@@H](C(C)C)CN2Cc1cnsn1 1654793130 CAOJYCVOPQTIJW-CYBMUJFWSA-N 303.431 3.382 10 10 DGCE Cn1cnc(/C=C/C(=O)N2CC(C)(C)c3cc(Cl)ccc32)c1 1596344234 HEQNXWZSPZVITL-FNORWQNLSA-N 315.804 3.411 10 10 DGCE C[C@H](NC(=O)NCc1cc(Cl)ccc1O)c1cncc(F)c1 1673514015 ZQIAMVQVAWLMBU-VIFPVBQESA-N 323.755 3.140 10 10 DGCE COc1ccc(CN[C@@H](C)CNC(=O)C[C@@H](C)C2CC2)cc1C 1774049057 BIAWCNVFHDWCIO-HIFRSBDPSA-N 318.461 3.034 10 10 DGCE Cc1cc(/C=C/C(=O)N2CCC[C@@H](N)C2)c(C)n1-c1ccccc1 158531262 NMXFAMSMKNXHMB-DOJUMQAQSA-N 323.440 3.057 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@]21[C@H](N)c1ccccc1O 1936967914 LPTKXKSCLLPNET-CDHAZOANSA-N 318.417 3.182 10 10 DGCE Cc1cccc(CN[C@@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)c1O 1168831292 UXGFYPNISQYHAB-DZGCQCFKSA-N 320.433 3.188 10 10 DGCE CC[C@@H]1CN(CCc2ccc(N)cc2)CCN1Cc1ccccc1 1946745573 YIXARWSLIGAFNQ-OAQYLSRUSA-N 323.484 3.408 10 10 DGCE CN[C@H](c1ccccc1O)[C@H]1C[C@H](C)CN1C(=O)OC(C)(C)C 1976296632 GDTICMMDZORSEE-JGGQBBKZSA-N 320.433 3.298 10 10 DGCE COc1cccc(O)c1CN[C@@H](C)CCOCc1ccccc1 1976859569 XPDPAVVLYPWTEE-HNNXBMFYSA-N 315.413 3.486 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H]1[C@@H](N)c1ccc(N(C)C)cc1 1977945938 RMEZIGGQCUGMPC-UHOFOFEASA-N 319.449 3.008 10 10 DGCE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)c1ccc(N2CCCC2)cc1 1977932920 AHTODDJMWYHBEG-CJNGLKHVSA-N 320.433 3.233 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](Oc2ccc(N)cc2)[C@H]2CC[C@@H]21 1992520811 YAUSIFFGQAHKSW-JYJNAYRXSA-N 318.417 3.436 10 10 DGCE NCc1ccc(N2C[C@H]3CC[C@@]2(F)C3)c(F)c1Br 2030247264 RYAMNWFJZCUIHA-SDBXPKJASA-N 317.177 3.333 10 10 DGCE C[C@]12CN(Cc3ccccc3)C[C@H]1CN(Cc1ccc(N)cc1)C2 702079473 BDJMNSCQEQRETF-PZJWPPBQSA-N 321.468 3.223 10 10 DGCE CN(Cc1cc(Cl)cc(Cl)c1O)[C@H]1CN2CCC1CC2 380806098 LSJMPOSDJIXQJM-AWEZNQCLSA-N 315.244 3.225 10 10 DGCE CN(CC(C)(F)F)c1cc(Br)c(CN)cc1F 692342882 IPPSOBJMLCWMEG-UHFFFAOYSA-N 311.145 3.138 10 10 DGCE CC1(C)CN(CCc2ccc(N)cc2)CCN1Cc1ccccc1 382704018 XLUMFKJEDDISES-UHFFFAOYSA-N 323.484 3.408 10 10 DGCE Oc1ccc(Br)cc1CNCC1C2(CC2)C12CC2 716545643 PMCFYGUJJDJIIC-UHFFFAOYSA-N 308.219 3.435 10 10 DGCE C[C@H](c1cc(Br)ccc1O)N(C)C[C@H]1CCOC1 398857774 VTWICYWGSAYAIC-GHMZBOCLSA-N 314.223 3.184 10 10 DGCE COc1cccc(O)c1[C@@H](C)n1nccc1C(=O)OC(C)(C)C 2069967388 JIIMEOUATJAYCZ-LLVKDONJSA-N 318.373 3.162 10 10 DGCE COc1ccc(O)c([C@H](C)n2nc(C3CCCC3)cc2CN)c1 2070138903 XIZWULKKJFBNGK-LBPRGKRZSA-N 315.417 3.323 10 10 DGCE Oc1cc(-c2nc(-c3cc(Cl)cs3)no2)cc(O)c1O 2188911029 ZJMMQCSGMOVDLE-UHFFFAOYSA-N 310.718 3.235 10 10 DGCE Nc1ccc(CN2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1 1906891220 HEUSKCWXMGZSLO-UXHICEINSA-N 321.468 3.223 10 10 DGCE CCN[C@H](C)c1ccc(N2CCOC[C@H]2CF)c(Cl)c1 2182604982 JTKKAFYXUIVFGS-DGCLKSJQSA-N 300.805 3.185 10 10 DGCE Nc1ccc(CCC(=O)OCC2(Br)CCC2)cc1 2049245925 XCNVPRLERCCJML-UHFFFAOYSA-N 312.207 3.062 10 10 DGCE Oc1ccc(Br)cc1CN[C@@H]1[C@@H]2CCC(F)(F)[C@H]21 2051229003 GFSDTSFBDNRIAP-YUSALJHKSA-N 318.161 3.288 10 10 DGCE C[C@H]1CC[C@H](CN(C)Cc2ccc(Br)cc2O)O1 2075393382 VGFGLCJTZIGRJF-GXFFZTMASA-N 314.223 3.154 10 10 DGCE Cc1nc(Oc2ccc(N)cc2)c(Br)cc1[N+](=O)[O-] 2092792463 NVNPVZBOEIPJGX-UHFFFAOYSA-N 324.134 3.435 10 10 DGCE CCN[C@](CSc1nccs1)(C(=O)OCC)C(C)(C)C 2207857276 QVANYIQDRFGPKO-CQSZACIVSA-N 316.492 3.193 10 10 DGCE CSc1ncc(CNC[C@@H](O)c2ccc(Cl)cc2)s1 2208451149 YBTGCSLGFUFTFV-GFCCVEGCSA-N 314.863 3.342 10 10 DGCE Oc1cccc(Br)c1CN[C@@H]1CCC[C@@H]1CF 2251060632 LFGFGIFYTAKCBY-BXKDBHETSA-N 302.187 3.383 10 10 DGCE C[C@@H]1C[C@H](C[C@H](N)c2ccccc2O)CN1C(=O)OC(C)(C)C 2244087142 CPRHTRXKGIRJKZ-NFAWXSAZSA-N 320.433 3.428 10 10 DGCE CCOc1cccc(C=C2SC(=S)N(CC)C2=O)c1O 2297303042 NXFKWGQWWICYFA-UHFFFAOYSA-N 309.412 3.012 10 10 DGCE CCN(CC)c1ccc(CN[C@@H]2C[C@@H](C)N(C)C[C@@H]2C)cc1 178228637 LWCLQUVWULHIDA-FRQCXROJSA-N 303.494 3.351 10 10 DGCE COCCNCc1ccc(N(C)Cc2ccsc2)c(C)c1 62735749 LBSZRWCOWXRVEI-UHFFFAOYSA-N 304.459 3.429 10 10 DGCE CSC[C@@H](C)CNCc1cc(OC(F)(F)F)ccc1O 2361167635 FHHKCBBATIMQIC-VIFPVBQESA-N 309.353 3.380 10 10 DGCE COc1ccccc1[C@@H](O)CN[C@@H](C)c1ccc(C)cc1O 185098161 XTLAVOMWXHCVOX-GUYCJALGSA-N 301.386 3.093 10 10 DGCE Nc1ccc(OCCC(=O)NCc2cccc(Cl)c2)cc1 40314558 HHKVIVOVYNLDOU-UHFFFAOYSA-N 304.777 3.008 10 10 DGCE CCNCc1ccc(N(C)CCCOC)c(Br)c1 233510107 HILIWDQBAACRMI-UHFFFAOYSA-N 315.255 3.031 10 10 DGCE Cc1cc(O)c(CN2CCO[C@H](c3cccc(O)c3)C2)cc1C 93457725 WQEAIHUOLWBEOV-IBGZPJMESA-N 313.397 3.288 10 10 DGCE CC[C@@](CCCSc1nccs1)(NC1CC1)C(=O)O 233989228 GUFGYWNQTGSIID-ZDUSSCGKSA-N 300.449 3.001 10 10 DGCE CCOCc1nc([C@H](C)N[C@@H](CC)c2ccccc2O)no1 290140793 KQIUWMQZFADWPY-AAEUAGOBSA-N 305.378 3.114 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)Cc1nn(C)c(C)c1Cl 817406524 WOMBXANPGUBJAA-UHFFFAOYSA-N 320.868 3.470 10 10 DGCE Cc1cc(N(C)C)ccc1CNC[C@@H](O)c1cc(F)ccc1F 819076439 CBFSHQXKSDIIAQ-GOSISDBHSA-N 320.383 3.162 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)NCC[C@@H]2C[C@H]3C=C[C@H]2C3)cc1 824289995 GBISPXBJSWESDX-FPMFFAJLSA-N 312.373 3.181 10 10 DGCE CCOc1ccc(O)c(CNC[C@@]2(C)CC2(Cl)Cl)c1 824764893 DYFDVTPEWXRAHT-CYBMUJFWSA-N 304.217 3.464 10 10 DGCE Cc1cc(O)c(CN2CCOC[C@@H]2CC(F)F)cc1Cl 825893313 VRZCRSPIMQECTL-NSHDSACASA-N 305.752 3.210 10 10 DGCE CCC1(NC(=O)c2cc3cc(O)c(O)cc3s2)CCOCC1 901251766 SZGSLIBIDNOPKC-UHFFFAOYSA-N 321.398 3.002 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)Nc1nc2c(s1)CCCC2 588405482 TYIWIWCLQZVYKR-VURMDHGXSA-N 316.382 3.085 10 10 DGCE CN(C)c1ccc(/C=C\CNC[C@]2(C)CCCC[C@@H]2O)cc1 835041891 FPNRTMYOPZRERB-RJCMGOLDSA-N 302.462 3.297 10 10 DGCE CC(C)CN1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 835025753 MUKIKMBKZGBVDB-WAYWQWQTSA-N 301.478 3.039 10 10 DGCE O=C(NCCc1ccc(O)c(O)c1)C1CC2(CCCCC2)C1 830531166 DTFRWLXAUKVQFE-UHFFFAOYSA-N 303.402 3.117 10 10 DGCE CN(C)c1ccc(CNC(=O)N[C@@H]2CCc3ccccc3C2)cc1 749415633 FPEDFCVCDMKJNE-GOSISDBHSA-N 323.440 3.109 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C1(C(F)F)CC1 843607305 YYZWKIULCCGVEN-LBPRGKRZSA-N 310.388 3.154 10 10 DGCE C[C@H](NC[C@@H]1CC[C@H](N)C1)c1cc(Cl)c(Cl)cc1O 925879465 FIBKHJKHIWEJPE-AEJSXWLSSA-N 303.233 3.477 10 10 DGCE CCOCc1cc(CNCCc2cnccc2C)ccc1OC 850355610 JXKRCZNCTUWXDF-UHFFFAOYSA-N 314.429 3.267 10 10 DGCE C[C@H](N[C@H](C1CC1)[C@@H]1CCCOC1)c1cc([N+](=O)[O-])ccc1O 927069856 NKURMANKSVEVRQ-XTQGRXLLSA-N 320.389 3.156 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CCC(C)(N(C)C)CC2)c1O 931351112 HDNRAIBYGUOAPD-UHFFFAOYSA-N 324.852 3.164 10 10 DGCE COc1ccc(O)c([C@@H](C)NC[C@@H]2CCC23CCOCC3)c1 866529884 TVLCMASUVVZODM-KGLIPLIRSA-N 305.418 3.258 10 10 DGCE CN(C)c1cc(F)c(CN2CC[C@H](c3ccccn3)C2)cc1F 862353809 AREALQKRLGIMKS-ZDUSSCGKSA-N 317.383 3.415 10 10 DGCE O=C(c1ccc([C@@H]2CCCOC2)cc1)N1Cc2cccc(O)c2C1 871205247 XFXXBOCULDIUCU-QGZVFWFLSA-N 323.392 3.442 10 10 DGCE C[C@@H](CN(C)Cc1ccccc1)NCc1ccc(F)c(F)c1O 700783833 XVMJKFFTUSGDMC-ZDUSSCGKSA-N 320.383 3.281 10 10 DGCE O=C(NC1CC2(CCC2)C1)c1cc2cc(O)c(O)cc2s1 898293874 CTVFZGIDJFKZBD-UHFFFAOYSA-N 303.383 3.375 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)CCCc2nccs2)c1 1137473643 QBLLGGOOYZURNW-LLVKDONJSA-N 320.414 3.057 10 10 DGCE C[C@H](NC(=O)Cc1ccc(O)c(Cl)c1)c1ccccc1O 1171730938 SREZBYGRCKWMEP-JTQLQIEISA-N 305.761 3.171 10 10 DGCE COc1ccc(CN[C@H](C)CCNC(=O)CC2CCC2)cc1C 1267127064 JDVVNYIDYAWRDT-OAHLLOKOSA-N 318.461 3.178 10 10 DGCE [N-]=[N+]=N[C@@H]1CCN(C(=O)C=Cc2cccc(Br)c2)C1 1912144636 WLODKZIPIMBMNN-GFCCVEGCSA-N 321.178 3.374 10 10 DGCE CCN(CCc1ccc(N)cc1)[C@H]1CCN(Cc2ccccc2)C1 1915071014 DAYMELOMMCLPMK-NRFANRHFSA-N 323.484 3.408 10 10 DGCE C[C@@H](CCO)N(Cc1ccccc1)c1c(F)cc(CN)cc1F 1915385267 IDYCMKRNXIIFIC-ZDUSSCGKSA-N 320.383 3.201 10 10 DGCE CC[C@@H]1CCCC[C@@H]1CNC(=O)/C=C\c1ccc(O)c(O)c1 1450416451 ULCMPXCTXFXOEE-XIQZNWFMSA-N 303.402 3.444 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)c1sccc1F 1469247741 FNDUUKXFYHYHAJ-UHFFFAOYSA-N 302.330 3.071 10 10 DGCE C[C@@H](NC(=O)c1ccc(-c2ccco2)nc1O)c1ccccc1O 1471195457 JCOQISRXXMXZFX-LLVKDONJSA-N 324.336 3.244 10 10 DGCE CC[C@@H](CNC(=O)C1=CCCC1)NCc1ccc(OC)c(C)c1 1715052280 OBDLSZDRVJOACL-KRWDZBQOSA-N 316.445 3.098 10 10 DGCE CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@H](N)c1ccccc1O 1928477630 WZMPWXJXCIYUKT-ZFWWWQNUSA-N 306.406 3.182 10 10 DGCE CN(Cc1ccccn1)c1ccc(CN)c(Br)c1F 231839017 IPXSSJRKLCQTRL-UHFFFAOYSA-N 324.197 3.078 10 10 DGCE CC(C)(C)OC(=O)N1CCCN(c2ccc(N)cc2)CCC1 1959560111 DMNSPILHZNKDDG-UHFFFAOYSA-N 305.422 3.106 10 10 DGCE Oc1c(Br)cccc1CNC[C@H]1C[C@@]12CC2(F)F 1876068887 IPSYLVVVCYOOON-BXKDBHETSA-N 318.161 3.290 10 10 DGCE CN(CCCN=[N+]=[N-])[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 1962306024 WWKHSKKIRSBHRH-ZDUSSCGKSA-N 311.430 3.408 10 10 DGCE CO[C@@H]1CCC[C@@H](NCc2c(O)cccc2Br)C1 1963468710 XCWZTRKFBUTHQM-GHMZBOCLSA-N 314.223 3.202 10 10 DGCE C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CN1c1ccc(N)cc1 1977968368 PNZZJFJFQNAHPQ-UONOGXRCSA-N 319.449 3.398 10 10 DGCE CN(CCCN=[N+]=[N-])[C@H]1CCN(C(=O)OC(C)(C)C)CC12CC2 1986944822 UGFJCXXHVCMOJY-ZDUSSCGKSA-N 323.441 3.408 10 10 DGCE C[C@@H](O)c1ccc(N2CC=C[C@@H]2CF)cc1Br 2024024708 XECVUKOCBILRBK-MWLCHTKSSA-N 300.171 3.217 10 10 DGCE COCCNCc1ccc(N2C[C@H](F)C[C@H]2C)c(Cl)c1 2160295082 NXHGRVDRDAFNQP-DGCLKSJQSA-N 300.805 3.013 10 10 DGCE C[C@H]1CN(c2ccc(OC(F)(F)F)cc2Cl)CCCN1 704222761 LPBOBKLMXPNECN-VIFPVBQESA-N 308.731 3.427 10 10 DGCE Oc1ccc(Cl)cc1CN[C@]1(C(F)(F)F)CCCOC1 2179878403 KTGDXEAMDDPFMH-GFCCVEGCSA-N 309.715 3.247 10 10 DGCE Nc1ccc2c(c1)CN(Cc1cc(Br)ccc1O)C2 689488035 RECMXVODMBCPOT-UHFFFAOYSA-N 319.202 3.253 10 10 DGCE CN[C@@H](C)c1ccc(N2CC[C@H](F)C2)c(Br)c1 689846000 CRZZXKFJQFEWEP-ONGXEEELSA-N 301.203 3.278 10 10 DGCE C[C@H]1CCN(c2ccc(CN)c(Br)c2F)[C@H]1C 380588289 MSSHOPRUIJWHBL-IUCAKERBSA-N 301.203 3.282 10 10 DGCE CC(C)N1CC[C@@H](NCc2cc(Cl)cc(Cl)c2O)C1 389287103 WKFLHQVYHKSBGB-GFCCVEGCSA-N 303.233 3.271 10 10 DGCE CCN[C@H](C)c1ccc(N(C)[C@@H](C)C[S@](C)=O)cc1Cl 399259110 ORLMYQGNYNIEAU-ZBUHCNDUSA-N 316.898 3.214 10 10 DGCE C[C@H]1CCN(Cc2c(O)cccc2Br)C[C@@H]1F 862302133 XFJZYEUWWDZTCH-CABZTGNLSA-N 302.187 3.335 10 10 DGCE CN[C@@H](C)c1ccc(N2CCOC[C@@H]2C(F)F)c(Cl)c1 2175653313 HTTOWQOMHQQSMM-TVQRCGJNSA-N 304.768 3.091 10 10 DGCE CN1CC[C@H](Nc2c(N)cccc2Br)C(C)(C)C1 2044527732 HQVDIPDPJHUVFX-LBPRGKRZSA-N 312.255 3.174 10 10 DGCE CCNCc1ccc(N2C[C@@H]3C(C(F)F)[C@H]3C2)c(Cl)c1 2192282549 NNYRUJVIFKKWMG-QWRGUYRKSA-N 300.780 3.397 10 10 DGCE C[C@@H](CN(Cc1cc(Cl)cc(Cl)c1O)C1CC1)C(=O)O 2187727233 JYQIRZFPOPQZJU-QMMMGPOBSA-N 318.200 3.384 10 10 DGCE NCc1ccc(N2CCc3cc(Br)ccc3C2)cc1 2093514398 STUWWJGBVWGFOB-UHFFFAOYSA-N 317.230 3.471 10 10 DGCE COC1(CNCc2c(O)cccc2Br)CC(C)C1 2261496012 TZECNTUKSXXUKN-UHFFFAOYSA-N 314.223 3.059 10 10 DGCE CCN(C(=O)/C=C\c1cnccn1)c1ccc(Cl)c(F)c1 493867571 GPRCKGJTZRVXNV-UTCJRWHESA-N 305.740 3.335 10 10 DGCE C[C@H](Nc1c(N)cccc1Br)[C@H]1C[C@@H]2CCO[C@@H]21 2311936681 RIXBRUGXUBWMBN-RZGXBDKHSA-N 311.223 3.257 10 10 DGCE CC(C)[C@@H](C(=O)Nc1ccc(N)cc1)N(C)Cc1ccccc1 62461201 ZWCODFWSJDIDBP-SFHVURJKSA-N 311.429 3.364 10 10 DGCE CC1(C)CCC[C@H](CC(=O)NCCc2ccc(O)c(O)c2)C1 122563720 OPAMTFFCXIAGMJ-CQSZACIVSA-N 305.418 3.363 10 10 DGCE COC[C@H](C)N(C)Cc1ccc(OCc2ccccc2)cc1O 183009134 IMGUGVVUYAEUSS-HNNXBMFYSA-N 315.413 3.438 10 10 DGCE Cc1cc(Br)cnc1-n1c(C)cc(C(=O)O)c1C 129546947 JSOQSZGFSRPHML-UHFFFAOYSA-N 309.163 3.258 10 10 DGCE CC(C)[C@]12C[C@@H]1C(=O)N(c1c(Cl)cc(N)cc1Cl)C2=O 2365786429 TYIDSBGNHUREKX-XLKFXECMSA-N 313.184 3.111 10 10 DGCE COCCN(Cc1cccc(Br)c1O)C(C)C 211588206 XERKMDZQMYWUON-UHFFFAOYSA-N 302.212 3.012 10 10 DGCE Cc1csc2c(N[C@H](C)Cc3ccc(O)c(O)c3)ncnc12 192757195 RZEPDMILEKKVQJ-SNVBAGLBSA-N 315.398 3.454 10 10 DGCE CN(CC(F)F)c1ccc(/C=C/C(=O)O)cc1Br 234286925 HPTVXECJTNUZOL-HWKANZROSA-N 320.133 3.248 10 10 DGCE C[C@H]1CN(c2ccc(CN)c(Br)c2F)C[C@@H]1C 231840293 VFOKFQRIEIUQIV-IUCAKERBSA-N 301.203 3.139 10 10 DGCE Cc1ccc(O)c(CN2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)c1 246800482 QTAKTAXVDKZVAH-YOEHRIQHSA-N 319.351 3.287 10 10 DGCE O=C(Nc1cccc(C2CCOCC2)c1)c1cccc(O)c1O 529935130 IRKJPGWVSHNNEA-UHFFFAOYSA-N 313.353 3.244 10 10 DGCE C[C@@H](CN[C@H]1CCc2cccc(O)c21)N(C)C(=O)OC(C)(C)C 296389717 JTGDBHMPXGFQHI-JSGCOSHPSA-N 320.433 3.225 10 10 DGCE CCCC[C@]1(C)CN([C@H](C)CN)c2cc(OC)c(OC)cc2N1 606610967 SQWSGYKYKOMMDG-FZKQIMNGSA-N 321.465 3.232 10 10 DGCE C[C@@H]1CCN(Cc2c(O)cccc2Cl)C[C@H]1n1ccnc1 271228099 BFMFKLMMCFFXLN-IUODEOHRSA-N 305.809 3.325 10 10 DGCE COc1cc(NS(=O)(=O)c2ccc(C3CC3)cc2)ccc1O 295211899 PIYQFNIMZPBCIM-UHFFFAOYSA-N 319.382 3.079 10 10 DGCE C[C@](O)(CNCc1cc(Cl)c(F)cc1O)c1cccs1 293547774 GSPBSOWXAZFXEK-AWEZNQCLSA-N 315.797 3.244 10 10 DGCE CN(C)c1ccc(OCC(=O)N[C@@H]2CCCc3ccccc32)cc1 810001751 KVUPARNYUOTOQY-LJQANCHMSA-N 324.424 3.325 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCC[C@@H]1OC 815131833 NJLRHVVXPJPGON-ROUUACIJSA-N 318.461 3.306 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2OC)cc1 815052405 NMHYTOPSASRJFT-MSOLQXFVSA-N 318.461 3.354 10 10 DGCE Cc1cc(Cl)cc(CNCC2(O)CCC(F)(F)CC2)c1O 827649252 HWFVNNOYZSAKGZ-UHFFFAOYSA-N 319.779 3.384 10 10 DGCE Oc1cccc2c1[C@@H](NC[C@]1(c3ccccc3)C[C@H](O)C1)CC2 903269584 BMVSZHAZKUNVIX-ZWOKBUDYSA-N 309.409 3.062 10 10 DGCE CN(C)c1ccc(/C=C\CNC[C@@H](O)c2ccc(F)cc2)cc1 835033482 UIZASSGXUUQCSG-ZRHASKPBSA-N 314.404 3.228 10 10 DGCE COc1ccccc1C[C@H]1CCCN1C(=O)c1cc(O)cs1 732279275 ORRXEXLKZUGRJE-CYBMUJFWSA-N 317.410 3.310 10 10 DGCE Cc1cc(O)c(CNC[C@H](CO)c2ccc(F)cc2)c(Cl)c1 840963199 MGVZKPAZPYXRBS-CYBMUJFWSA-N 323.795 3.359 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@@H](c2ccccc2F)[C@H](C)O)c1 846013043 JIGIYTPTGDVCGV-OAVHHTNSSA-N 319.376 3.313 10 10 DGCE O=C(NCc1c(O)cccc1F)[C@H]1C[C@@]12CCc1ccccc12 928706749 ZBZVPHFTSVSHQF-DNVCBOLYSA-N 311.356 3.052 10 10 DGCE O=C(NCCSCc1ccccc1)NCc1ccccc1O 748463479 SKJJSFZMMOBQCQ-UHFFFAOYSA-N 316.426 3.125 10 10 DGCE CN(C)c1ccc(CNCCC2SCCS2)cc1F 850407076 KJMHTWSFCDQPOM-UHFFFAOYSA-N 300.468 3.178 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@@H](c2ccccc2)[C@H](C)O)c1 850582293 DBLRGQDUXNTFLX-ZJNRKIDTSA-N 301.386 3.174 10 10 DGCE CCOc1ccc(N(CC2CC2)C(=O)/C=C/c2cnccn2)cc1 869718712 CPGKZKNAGXKGMO-BJMVGYQFSA-N 323.396 3.332 10 10 DGCE Cc1cc(CN2CC[C@H](C(=O)O)[C@@H]3CCC[C@@H]32)ccc1N(C)C 863476267 YRVHOKRWNBLYMD-BQFCYCMXSA-N 316.445 3.136 10 10 DGCE CCN(C)c1ccc(CN2CCc3nc[nH]c3C23CCC3)cc1 931680069 LTQLEZPUENKUIB-UHFFFAOYSA-N 310.445 3.303 10 10 DGCE CC[C@H](C[C@@H](C)O)NCc1cc(C)cc(Br)c1O 865873739 HNBGHGNLDCAHBQ-ZYHUDNBSSA-N 316.239 3.102 10 10 DGCE Cc1cc(O)ccc1NS(=O)(=O)c1ccc2ncsc2c1 775281608 XLDBKWQQYFALGM-UHFFFAOYSA-N 320.395 3.111 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CC[C@H]([C@H]3CCCO3)C2)c1O 886830805 XOJKWCDKRHFEBB-BLLLJJGKSA-N 323.820 3.249 10 10 DGCE C[C@H]1CSCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 897558804 CFYBZTHTXZZOLS-SECBINFHSA-N 323.439 3.138 10 10 DGCE COC(C)(C)CCOC(=O)c1sc2nc(C)cc(C)c2c1N 787609124 NNUAGQVECFBGOW-UHFFFAOYSA-N 322.430 3.467 10 10 DGCE Cc1cccc(/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)c1 96505526 AZZPCNGZNVFWCM-FYQHACEVSA-N 319.451 3.375 10 10 DGCE CO[C@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)CC(C)C 897988722 WPYHHKNEZDIUML-NSHDSACASA-N 323.414 3.103 10 10 DGCE C[C@@H](c1ccc(F)cc1O)N(CC(=O)O)Cc1ccccc1 701267214 UCTIFYLCGRALSY-LBPRGKRZSA-N 303.333 3.179 10 10 DGCE C[C@@H]1COC[C@@H](C)N1[C@H](C)c1cc(Br)ccc1O 688899659 CTIZEBFMDMLDBO-GMTAPVOTSA-N 314.223 3.325 10 10 DGCE C[C@H](NCC[C@H](C)[S@](C)=O)c1cccc(C(F)(F)F)c1O 798181484 KPLBNRJYKBVIFH-FRGLDACASA-N 323.380 3.219 10 10 DGCE Oc1cc(Br)ccc1CNC1C[C@@H]2[C@@H](C1)C2(F)F 691445005 NVJNATZSQFBOJA-GHMZBOCLSA-N 318.161 3.288 10 10 DGCE COc1ccc(O)c([C@H](C)NCCCc2scnc2C)c1 1307628070 FZHDGBQBNWZCHS-NSHDSACASA-N 306.431 3.449 10 10 DGCE CCN(CCSC)c1ccc(CNCCOC)cc1Cl 1917002683 NNHAEFNYZSFAIG-UHFFFAOYSA-N 316.898 3.265 10 10 DGCE COc1ccc(N(C)Cc2nc(Cc3ccccc3)no2)cc1 1171745976 LGQWGDDFMPOTPM-UHFFFAOYSA-N 309.369 3.305 10 10 DGCE NCc1cc(F)c(N(CC(F)F)CC(F)F)cc1Cl 2120882912 DPGGNYIGMKGAQT-UHFFFAOYSA-N 302.674 3.274 10 10 DGCE [N-]=[N+]=NCC1CCN(C(=O)c2cnccc2Br)CC1 2121184421 UNKFBZSXIPICSA-UHFFFAOYSA-N 324.182 3.007 10 10 DGCE CO[C@@H]1CC[C@H](NC(=O)c2sccc2-n2c(C)ccc2C)C1 1338846955 WSCARBZEQGEBFG-UONOGXRCSA-N 318.442 3.453 10 10 DGCE CN(C)c1ccc(CNC(=O)c2cnc3ccccc3c2)cc1F 1264827121 ORVUXJLHTBJBPV-UHFFFAOYSA-N 323.371 3.370 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@H](OC)C2CCCC2)cc1 1355015439 NICWRIRZBGKPPG-GOSISDBHSA-N 318.461 3.354 10 10 DGCE CCCc1ccc(C(=O)NCc2ccc(OC)cc2O)s1 1296969132 YLUOTMRUBOXPGM-UHFFFAOYSA-N 305.399 3.345 10 10 DGCE Cc1ncccc1/C=C\C(=O)N1CCOc2c1ccc(F)c2F 1525635197 UYQUZUMFJMPVOH-DAXSKMNVSA-N 316.307 3.107 10 10 DGCE Cc1nnc(N(C)Cc2ccccc2O)n1CC1(C2CC2)CC1 1707861813 WJZSGQAOEDWOEH-UHFFFAOYSA-N 312.417 3.119 10 10 DGCE Cc1ccc(C(=O)N[C@@]2(C)CCCc3ccccc32)c(O)c1O 1623762352 MLYDKVZTOJEMRX-IBGZPJMESA-N 311.381 3.388 10 10 DGCE CSc1ccc(C)c(C(=O)NCc2ccc(O)cc2O)c1 1626837600 ADZLSFBWJUKEMN-UHFFFAOYSA-N 303.383 3.058 10 10 DGCE Cc1ccc(OCCC(=O)NCc2c(O)cccc2F)cc1C 1635360513 NXMACEZWLBZVTQ-UHFFFAOYSA-N 317.360 3.233 10 10 DGCE COc1ccc(N(C)CCN(C)C[C@@H]2C[C@@H]3CCC[C@H]3O2)cc1 1646717630 BVAPLALEKQDNOT-ZYSHUDEJSA-N 318.461 3.021 10 10 DGCE Cc1ccc2c(c1)S[C@H](C(=O)NCc1c(O)cccc1F)C2 1646033524 AJPONKSCOWVOJD-INIZCTEOSA-N 317.385 3.173 10 10 DGCE Oc1cc(Cl)ccc1CNCC1CN(Cc2ccccc2)C1 1928565497 GMRJDSQCZAYZRK-UHFFFAOYSA-N 316.832 3.267 10 10 DGCE COc1cccc(CC(=O)NCc2c(O)cccc2F)c1Cl 1596917086 VGHFRSJNQXRBLH-UHFFFAOYSA-N 323.751 3.052 10 10 DGCE COc1ccc(CN(C)Cc2ccc(OC)cc2OC)c(O)c1 160839906 XHJHQQJSRNNOES-UHFFFAOYSA-N 317.385 3.050 10 10 DGCE CC[C@H](N[C@H](C)CN(C)C)c1cc(Br)ccc1O 168599108 XVRCAPRAPQONBH-MFKMUULPSA-N 315.255 3.146 10 10 DGCE CCN1N=C(c2ccc(OC)cc2)/C(=C\c2cccc(F)c2)C1=O 1865679166 YQGVLBYZEXTMQJ-SFQUDFHCSA-N 324.355 3.484 10 10 DGCE Cc1ccc([C@H](C)N[C@@H]2C[C@@H]2CNC(=O)OC(C)(C)C)c(O)c1 1973251397 QUFOJKNGAMPJFQ-GZBFAFLISA-N 320.433 3.264 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(CCCN=[N+]=[N-])C[C@H]21 1982246899 APEYWCMKQYJVAK-BFHYXJOUSA-N 323.441 3.312 10 10 DGCE CC[C@@H](O)CN(Cc1ccccc1)c1ccc2c(c1)CC[C@H]2N 1986606255 KGXMWPQIUCCKOY-UYAOXDASSA-N 310.441 3.410 10 10 DGCE CCOc1ccc2nc(Sc3ncc(CO)s3)[nH]c2c1 2155323956 ZOIUSZSFYQWTHK-UHFFFAOYSA-N 307.400 3.062 10 10 DGCE C[C@H]1C[C@H](CCNCc2ccc(Br)cc2O)CO1 2041486380 LVIDMXAAWQTLJM-QWRGUYRKSA-N 314.223 3.059 10 10 DGCE CN(CCN=[N+]=[N-])C(=O)c1cc(C(F)(F)F)cnc1Cl 2157320473 PFDAFJCOUIPHDE-UHFFFAOYSA-N 307.663 3.136 10 10 DGCE Oc1cccc(Br)c1CN[C@@H]1COc2ccccc21 706807770 FFWKNVYASDGTLP-CYBMUJFWSA-N 320.186 3.378 10 10 DGCE COCCN(Cc1c(O)cccc1Br)CC(C)C 707156754 WEOAGPFXFDGKSF-UHFFFAOYSA-N 316.239 3.259 10 10 DGCE COC[C@@H]1CCCN1c1ccc([C@H](C)O)c(Br)c1 696589489 KBJZXAHJCUCBBD-JQWIXIFHSA-N 314.223 3.118 10 10 DGCE COc1cnn(Cc2cc(Br)ccc2O)c1Cl 2070302321 ZWGASKAZGKPWCW-UHFFFAOYSA-N 317.570 3.062 10 10 DGCE C[C@@H]1C[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3O)CCN2C1 2181243066 RUYCFESHPYCEKP-ZWNOBZJWSA-N 315.244 3.225 10 10 DGCE CN(c1c(F)cc(CN)cc1F)C1CCP(C)(=O)CC1 2193521608 LFOPVRLVUGMJRY-UHFFFAOYSA-N 302.305 3.015 10 10 DGCE CC1(C)C[C@H](Sc2nccs2)C[C@](CO)(NC2CC2)C1 2183539415 SOYUVTODJIXHAZ-WFASDCNBSA-N 312.504 3.297 10 10 DGCE Cc1ocnc1CN(C)c1ccc([C@H](C)N)cc1Br 2104084977 RGXZJUKMGFIVPG-VIFPVBQESA-N 324.222 3.402 10 10 DGCE CCN(CC)c1ccc([C@]2(N)CCCC3(C2)OCCO3)cc1 2106851864 YWKPYSUJRLLIKS-KRWDZBQOSA-N 304.434 3.004 10 10 DGCE Cc1ccc(O)c([C@@H](C)Nc2cn(C)nc2Br)c1 2223020835 WBGJTQCRHIBZAX-SECBINFHSA-N 310.195 3.370 10 10 DGCE COC[C@@]1(F)CCN([C@H](C)c2cc(Cl)c(C)cc2O)C1 2286458859 RATBBDXXYIHYRG-IAQYHMDHSA-N 301.789 3.475 10 10 DGCE COCC1(C)CC(NCc2c(O)cccc2Br)C1 2260999458 PVAWHSJSAQWQOY-UHFFFAOYSA-N 314.223 3.059 10 10 DGCE Cc1cncc(/C=C\C(=O)N2C[C@H]3CCCN3c3ccccc32)c1 492204288 YJBIXYMNHBKZBM-XZVRFQMRSA-N 319.408 3.419 10 10 DGCE Cc1ccc(CNc2cnn(C)c2C)c(O)c1Br 2327627240 TVBIJGVJFBXDPY-UHFFFAOYSA-N 310.195 3.117 10 10 DGCE CC[C@@H](C)N(CCO)Cc1ccc(C)c(Br)c1O 2327788360 CMVUASDQNQUVIO-LLVKDONJSA-N 316.239 3.056 10 10 DGCE Cc1ccc(CN2C[C@@H]3C[C@@H]3[C@H]3C[C@H]32)c(O)c1Br 2327803876 ITLWUOOMZPTSLB-WUHRBBMRSA-N 308.219 3.303 10 10 DGCE CC[C@H]1CN(c2ccc(CN)c(Br)c2)CCS1 228155841 CRAGLLZZHQFZDR-LBPRGKRZSA-N 315.280 3.240 10 10 DGCE CCNCc1cc(F)c(N(CCOC)[C@H](C)CC)c(F)c1 62713422 CNKSTOBONTYACB-GFCCVEGCSA-N 300.393 3.326 10 10 DGCE CC(C)c1noc(CCCN[C@H](C)c2ccc(F)cc2O)n1 185319210 LGXOWDDMZKGRGW-LLVKDONJSA-N 307.369 3.321 10 10 DGCE CC(C)C1=NN2C(=N)/C(=C\c3cccs3)C(=O)N=C2S1 33286435 FJTVUQCYTKWYBK-KAQGHPILSA-N 304.400 3.023 10 10 DGCE C[C@@H](Nc1ccc(-n2nccn2)cc1)c1ccc(F)c(F)c1O 187892010 FFAFYVWWXBOVGQ-SNVBAGLBSA-N 316.311 3.424 10 10 DGCE CCNCc1ccc(OC)c(C[S@@](=O)c2ccccc2)c1 82001214 UFHQRKGAGCPXAN-NRFANRHFSA-N 303.427 3.113 10 10 DGCE C[C@]1(C2CC2)CN(c2ccc(OC(F)(F)F)cc2)CCN1 86122611 OSESNUXLYQHYNB-CQSZACIVSA-N 300.324 3.164 10 10 DGCE COc1ccc(CN2C[C@H](C)OC[C@H]2c2ccccc2)c(O)c1 93660820 YCVIYPXRRZABEJ-KSSFIOAISA-N 313.397 3.363 10 10 DGCE Cc1ccc([C@H]2CN(Cc3cc(C)c(C)cc3O)CCO2)o1 93864784 VLSQQGRNVRUWJC-GOSISDBHSA-N 301.386 3.484 10 10 DGCE CC(=O)N(C(=O)Nc1cccc2cccnc12)c1ccc(N)cc1 242841105 FWAVMFXKAILJEO-UHFFFAOYSA-N 320.352 3.402 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCc2cccc(O)c21 814259142 AFDOJHCNOGXFNA-KRWDZBQOSA-N 324.424 3.147 10 10 DGCE CCOc1ccc(O)c(CNC[C@H]2CCO[C@H](C(C)C)C2)c1 824798569 DZHLTFUTPXYSQC-KSSFIOAISA-N 307.434 3.332 10 10 DGCE C[C@H](N[C@H]1COCC1(C)C)c1ccc(Br)cc1O 834905660 VHNIPEKUXCIIJQ-ZANVPECISA-N 314.223 3.230 10 10 DGCE COC(=O)[C@@H](c1ccccc1C)N1CCCc2cc(CN)ccc21 843349780 BXNJGRZJGXGALW-LJQANCHMSA-N 324.424 3.121 10 10 DGCE C[C@@H](NC(=O)c1nc2c(s1)CCC2)c1ccc(N(C)C)cc1 841186436 IZCXTZANNQXBAK-LLVKDONJSA-N 315.442 3.189 10 10 DGCE Cc1cc(O)c([C@H]2C[C@H](N)CCN2C(=O)OC(C)(C)C)cc1C 1952972102 GPXZBAKCIFPOAR-UKRRQHHQSA-N 320.433 3.408 10 10 DGCE CSCCC(=O)Nc1c(-c2ccccn2)nc2ccccn12 751303123 UVNBKVHJLYZWPQ-UHFFFAOYSA-N 312.398 3.088 10 10 DGCE COc1ccc(N(C)Cc2ncc(C)c(OC)c2C)cc1F 757852352 LDUMTYSBBLAOER-UHFFFAOYSA-N 304.365 3.491 10 10 DGCE CC[C@@H]1NCC[C@H]1N[C@@H](C)c1ccc(Cl)c(Cl)c1O 863543433 OLAVOGIYUJYIAI-KPXOXKRLSA-N 303.233 3.490 10 10 DGCE CCOc1ccc(O)c(CN(Cc2ccccc2)C[C@@H](C)O)c1 768891173 BNKRHGUGCVICRL-OAHLLOKOSA-N 315.413 3.174 10 10 DGCE CC[C@H](C[C@@H](C)O)N[C@H](C)c1ccc(Br)cc1O 866634206 BYSATZOLZVAMKV-CKYFFXLPSA-N 316.239 3.355 10 10 DGCE COC(=O)c1ccc(O)c([C@@H](C)NCC[C@@H]2CCCS2)c1 866481747 VRJZTGYQKAGQTK-YPMHNXCESA-N 309.431 3.115 10 10 DGCE O=C(NCc1ccc(O)c(O)c1)c1cc2sccc2s1 778919143 VMDVUQFTJBTFKQ-UHFFFAOYSA-N 305.380 3.304 10 10 DGCE CCc1cnc(N2CCN(Cc3cccc(C)c3O)CC2)s1 775695911 UBAZDPIWHCQJLF-UHFFFAOYSA-N 317.458 3.042 10 10 DGCE CC[C@H](N[C@@H](C)[C@@H]1CCCN(C(=O)OC)C1)c1ccccc1O 775579983 RQHHXCHVSCQGFJ-LZWOXQAQSA-N 320.433 3.300 10 10 DGCE CC[C@@H](C)[C@@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)OC 897880239 KPKRGSJSBMWFBR-NOZJJQNGSA-N 323.414 3.103 10 10 DGCE OCc1ccc(N2CC[C@@H](C(F)F)C2)c(Br)c1 706377178 MZWKMLHTCDSIMI-SECBINFHSA-N 306.150 3.033 10 10 DGCE O=S(=O)(/C=C/c1ccccc1F)Nc1ccc(O)cc1F 799924966 KFSZHXOVAMCGDN-BQYQJAHWSA-N 311.309 3.083 10 10 DGCE CC[C@H](NC[C@H]1COc2ccccc2O1)c1ccc(F)cc1O 796665701 KONHLIJPNJECLI-ZFWWWQNUSA-N 317.360 3.412 10 10 DGCE Oc1cc(Br)ccc1CNCCOc1ccccc1 691440456 QMPHNGZPXLIILC-UHFFFAOYSA-N 322.202 3.323 10 10 DGCE C[C@@H](O)c1ccc(N2CCO[C@](C)(C(F)F)C2)cc1Cl 698735515 LLIUIDZKQQKUFE-OTYXRUKQSA-N 305.752 3.254 10 10 DGCE Oc1ccc(-c2nc(Br)c3n2CCCC3)cc1O 1082219809 GEMAHIJUPFLMQX-UHFFFAOYSA-N 309.163 3.060 10 10 DGCE CC(C)c1cc(C(=O)NCc2cccc(Cl)c2O)cc(O)n1 1159034613 YNXZHOXTQISRLB-UHFFFAOYSA-N 320.776 3.200 10 10 DGCE OCc1ccc(N2CC[C@H](n3cccc3)C2)c(Br)c1 2115189500 GFHHDWXXAVTYDF-ZDUSSCGKSA-N 321.218 3.194 10 10 DGCE COc1ccc(CN[C@H](C)CNC(=O)[C@@H]2CCC2(C)C)cc1C 1266963881 IQLKNRNJYOWFPH-ZBFHGGJFSA-N 318.461 3.034 10 10 DGCE CCOc1ccc(/C=C2/SC(N3CCCC3)=NC2=O)cc1 533284 QGOYMEYNSGNPIA-SDNWHVSQSA-N 302.399 3.151 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1C(F)F 1447559247 BRUHHRMGVZEWDR-JTQLQIEISA-N 321.323 3.396 10 10 DGCE CC(=O)N1CCN(/N=N/c2cc(Cl)ccc2Cl)CC1 1860483287 LVNQELAKTJYWKC-FOCLMDBBSA-N 301.177 3.156 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1occ2c1CCOC2 1456308816 KJWFYNCFOGONPM-UHFFFAOYSA-N 323.348 3.141 10 10 DGCE O=C(NCc1c(O)cccc1O)[C@@H]1C[C@]12CCCc1ccccc12 1472064335 VDJQFMUNGRGNMC-JXFKEZNVSA-N 323.392 3.008 10 10 DGCE Cc1ccc(CNC(=O)c2ccc(N=NC(N)=O)cc2)s1 1541039127 IDJPHGNEQMHJLW-UHFFFAOYSA-N 302.359 3.149 10 10 DGCE COC[C@@H](CC(C)(C)C)NC(=O)c1ccc(N=NC(N)=O)cc1 1627751862 MUSXTIPSUNRYTF-CYBMUJFWSA-N 320.393 3.030 10 10 DGCE CC[C@@H]1CCN(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)C1 1564945761 UGHWNTWBBBTEBX-JKSUJKDBSA-N 317.477 3.434 10 10 DGCE Cc1cc(CC(=O)NOC/C=C\Cl)c(C)n1-c1ccccc1 1642038189 RCIGYLARVJJSEF-TWGQIWQCSA-N 318.804 3.437 10 10 DGCE Cc1cc(Cl)c(C(=O)NCc2c(O)cccc2O)cc1C 1647270862 ZZZRZLOIUSIPMY-UHFFFAOYSA-N 305.761 3.298 10 10 DGCE CCNCc1ccc(N(C)C[C@@H]2CCCN2CC)c(Cl)c1 164147160 HMHAELBZXFWRNZ-HNNXBMFYSA-N 309.885 3.370 10 10 DGCE CCNCc1ccc(N2CCOC[C@@H]2C)cc1C(F)(F)F 167357808 NFUOYRRLAIHWHJ-NSHDSACASA-N 302.340 3.040 10 10 DGCE CNCc1ccc(N2CCCO[C@H](C)C2)cc1C(F)(F)F 167377100 AOVWISJGHXHTOJ-LLVKDONJSA-N 302.340 3.040 10 10 DGCE CCOC(=O)C1CCN(/N=N/c2cc(C)ccc2OC)CC1 1860487311 ZRNMGFHILNUNNX-ISLYRVAYSA-N 305.378 3.277 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([C@@H](N)c2ccccc2O)C1 1936970217 JVJXENIRFLBUFT-XJKCOSOUSA-N 320.433 3.476 10 10 DGCE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1ccccn1 1889917165 DPELJGFOIFPWQT-RDJZCZTQSA-N 307.397 3.000 10 10 DGCE CCN[C@@H](c1ccccc1O)c1nscc1Br 1942405767 MTFLIJDXGSEPHI-NSHDSACASA-N 313.220 3.310 10 10 DGCE CCN[C@](CSc1nccs1)(C[C@@H](C)CC)C(=O)O 2142864876 LTGLICRFZYEYRH-GWCFXTLKSA-N 302.465 3.104 10 10 DGCE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1CCCCN=[N+]=[N-] 1962299176 LENLWQUWZQGINE-STQMWFEESA-N 311.430 3.407 10 10 DGCE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@H](C)N1CCCN=[N+]=[N-] 1962302926 DIUPSRAADJKSJO-RWMBFGLXSA-N 311.430 3.405 10 10 DGCE CCCN(CCOC)Cc1cccc(Br)c1O 1948617867 LBYIAJDTWZDFFK-UHFFFAOYSA-N 302.212 3.013 10 10 DGCE CN(C[C@@H]1CCCN1Cc1ccc(N)cc1)C(=O)OC(C)(C)C 1977925573 IDNKVKOLLDVIMW-INIZCTEOSA-N 319.449 3.100 10 10 DGCE C[C@H](N[C@@H](C)[C@H]1CCN1C(=O)OC(C)(C)C)c1ccccc1O 1989690638 UZCOSUJPBAVRSP-KCQAQPDRSA-N 320.433 3.441 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)cc1 2015069527 UTKMLISZMYCNEH-BSIFCXSSSA-N 322.452 3.451 10 10 DGCE CN[C@H](C)c1ccc(N2CCO[C@H](CCF)C2)c(Cl)c1 700574609 ISGZFOFDTYYUDP-DGCLKSJQSA-N 300.805 3.185 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1 705963649 TXTXZAIGMNGUTO-NSISKUIASA-N 321.468 3.275 10 10 DGCE Oc1c(F)cc(Br)cc1CN[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2 2070884904 UHGHLKZGLKIPIJ-CSTSLXAKSA-N 312.182 3.038 10 10 DGCE CCCc1cc(C(=O)OC(C)(C)C)nn1-c1ccc(O)c(O)c1 2069875380 COWWLLJSILFVBJ-UHFFFAOYSA-N 318.373 3.191 10 10 DGCE Cc1cc(O)c([C@@H](n2nc(C)c(C=O)c2N)C2(C)CC2)cc1C 2079936484 REWLIWXKQMMHAO-MRXNPFEDSA-N 313.401 3.298 10 10 DGCE CN(CCc1ccc(N)cc1)Cc1ccc(Br)o1 2050634619 MDNVCWYCEUVRGH-UHFFFAOYSA-N 309.207 3.299 10 10 DGCE Nc1ccc(C[C@@H](O)c2c(F)cccc2Br)cc1 2053179646 WXJAVWLSSVSPQN-CYBMUJFWSA-N 310.166 3.447 10 10 DGCE COc1ccc(Br)c(CNc2cncc(C)c2)c1O 2227748339 NEGRRWXBUPZENE-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE Cc1ccc(CNC[C@@H]2CC[C@H]2NC(=O)OC(C)(C)C)c(O)c1 2244713414 MHNVZIBBSIIMHO-DZGCQCFKSA-N 320.433 3.094 10 10 DGCE O=C(CCC=Cc1ccccc1)NCCc1ccc(O)c(O)c1 2301396324 ILZXNEFRRWVDRG-UHFFFAOYSA-N 311.381 3.250 10 10 DGCE C[C@@H](c1ccccc1F)N(C)C(=O)C=Cc1ccc(O)c(O)c1 2307986337 OZXKCLTYDYBWQV-LBPRGKRZSA-N 315.344 3.470 10 10 DGCE Cc1cc(O)c(O)cc1CCNC(=O)c1cccc(Cl)c1 170188315 QBHBOXOMKCUNHT-UHFFFAOYSA-N 305.761 3.032 10 10 DGCE CCN[C@H](C)c1ccc(N(C)Cc2nccn2C)c(Cl)c1 62253071 MSKOITVJQLHCEC-GFCCVEGCSA-N 306.841 3.380 10 10 DGCE COc1ccc(N2CCN(C(=O)[C@@H](C)CC(C)C)CC2)cc1 185008045 QHNXPYGSVYCJFT-HNNXBMFYSA-N 304.434 3.026 10 10 DGCE Cc1cc(C(=O)N2CCOC[C@H]2C2CC2)c(C)n1-c1ccccc1 89978604 ZGXCAPSCGUXQSS-IBGZPJMESA-N 324.424 3.345 10 10 DGCE C[C@H](NCc1cc(Br)ccc1O)c1ccncc1 227434257 BKNMXPKWALFTKF-JTQLQIEISA-N 307.191 3.401 10 10 DGCE C[C@@H](NC[C@@]1(C)COc2ccccc2O1)c1ccc(F)cc1O 527930981 IUYHWHACKUNIOK-XIKOKIGWSA-N 317.360 3.412 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2ccsc2)c1 528859912 HTAOVJGONJQQKO-WKPIXPDZSA-N 317.410 3.443 10 10 DGCE CN(C)c1ccc(CNc2cccc3c2OCC[C@H]3O)cc1F 368391995 DJLBIWUIOVCNHS-QGZVFWFLSA-N 316.376 3.320 10 10 DGCE CN1CCCc2cc([C@@H](O)Cc3scnc3Cl)ccc21 721992114 AHUSYKDIVCQGJN-ZDUSSCGKSA-N 308.834 3.455 10 10 DGCE CCOc1ccc(N2COc3c(cc(C=O)cc3OC)C2)cc1 821295384 QROGTLWQCJNUOJ-UHFFFAOYSA-N 313.353 3.263 10 10 DGCE Cn1ncc(C(F)(F)F)c1CNCc1cc(Cl)ccc1O 826139377 AEVHTQHHKAVPCL-UHFFFAOYSA-N 319.714 3.088 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCOC[C@H]2CC(F)F)cc1 835053544 NWKVJINSAHYGNP-MJSXRHKHSA-N 310.388 3.122 10 10 DGCE Nc1ccc(CNC(=O)CSc2ccc3c(c2)CCC3)cc1 837303360 JAGUKKKSSQZJTI-UHFFFAOYSA-N 312.438 3.166 10 10 DGCE Cc1cc(O)c(CNCCCCn2ccnc2C)c(Cl)c1 840898412 DSNRMFSCXJBMAW-UHFFFAOYSA-N 307.825 3.429 10 10 DGCE CCOc1ccc(CN[C@H](c2cnn(C)c2)C(C)(C)C)c(O)c1 748246812 PRUNIMSUGWCFEW-QGZVFWFLSA-N 317.433 3.401 10 10 DGCE COC(=O)c1ccc(O)c([C@@H](C)N[C@H]2C[C@@H](OC(C)(C)C)C2)c1 842922428 WYHIIRRDDXZAQL-BNOWGMLFSA-N 321.417 3.176 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCCCCF 840377828 KCDJYIPJRWLHHP-CQSZACIVSA-N 309.429 3.041 10 10 DGCE Oc1ccc(Cl)c(F)c1CN1CCCC[C@@H]1[C@H]1CCNC1 841085716 BJIFPAYFKQCFMY-SMDDNHRTSA-N 312.816 3.149 10 10 DGCE Cn1cc(C[C@H]2CCC[C@@H]2NCc2cc(Cl)ccc2O)cn1 850383985 GSTCXTMJYPKIAJ-CJNGLKHVSA-N 319.836 3.280 10 10 DGCE COc1ccc(N2CCN(C(=O)/C=C3\CC[C@H](C)C3)CC2)cc1 753561958 FUXFWIIOTNXETP-IDTYTIONSA-N 314.429 3.090 10 10 DGCE Cc1ccc([C@@H](C)NCC2(CC(N)=O)CCCCC2)c(O)c1 850573966 UJOFPRJKWMGXKM-CQSZACIVSA-N 304.434 3.177 10 10 DGCE Nc1ccc(CCNC(=O)C[C@]23CCCC[C@H]2C3(F)F)cc1 851632522 RHVYAZJNUWLQNK-GDBMZVCRSA-N 308.372 3.143 10 10 DGCE COc1ccc(N2CCC(N[C@@H]3[C@H](C)O[C@@H](C)[C@H]3C)CC2)cc1 858283612 MNCQFFOSTYTKAU-QZNHQWIBSA-N 318.461 3.066 10 10 DGCE C[C@@]1(CCNCc2ccc(N3CCOCC3)cc2)CC1(F)F 850380268 CXLUEPLIRIDGQP-MRXNPFEDSA-N 310.388 3.048 10 10 DGCE Oc1cccc(Br)c1CN1CC[C@]2(C1)CC2(F)F 862403174 WVANCMQTTVVIRW-GFCCVEGCSA-N 318.161 3.386 10 10 DGCE C[C@H](NC(=O)c1cc(O)cs1)c1ccccc1-n1cccn1 760150530 UERYQNNMHXKEEA-NSHDSACASA-N 313.382 3.130 10 10 DGCE Cc1cccc(C[C@@H](CO)NCc2cc(Cl)cc(C)c2O)c1 786579380 RDUDQAHBUKDYNU-KRWDZBQOSA-N 319.832 3.356 10 10 DGCE C[C@@H]1c2cc(O)c(O)cc2CCN1C(=O)OCc1ccccc1 196900137 DBYWXDPAWCCVHI-GFCCVEGCSA-N 313.353 3.354 10 10 DGCE CC/C=C(\C)C(=O)N(C)[C@@H](C)CNCc1ccc(OC)c(C)c1 1319428286 GZIFNQWCRQHUKN-SBNBMVPLSA-N 318.461 3.296 10 10 DGCE Cc1cccc(C)c1OCCC(=O)NCc1c(O)cccc1F 1178410101 MLOKPLMIVFHGRU-UHFFFAOYSA-N 317.360 3.233 10 10 DGCE C[C@@H](NC(=O)c1ccccc1Cn1cccn1)c1ccccc1O 1171723216 OQJIWQASFLOXPL-CQSZACIVSA-N 321.380 3.128 10 10 DGCE c1cnc([C@H](NCc2ccc(N3CCCC3)cc2)C2CC2)nc1 1332353945 VIQAHGHUFODCQS-GOSISDBHSA-N 308.429 3.318 10 10 DGCE [N-]=[N+]=NC1CN(C(=O)c2c(Cl)cccc2C(F)(F)F)C1 1912161554 KSYCOGJKHJZRNO-UHFFFAOYSA-N 304.659 3.494 10 10 DGCE Cc1ccc(Cl)c(NC(=O)CN(C)CCN=[N+]=[N-])c1Cl 1912189482 WKWQIRCNUOEORS-UHFFFAOYSA-N 316.192 3.482 10 10 DGCE CC[C@H](C)N(CCOC)c1ccc(CN)c(Br)c1 228150421 JTUIKZGBVHWFPJ-NSHDSACASA-N 315.255 3.159 10 10 DGCE Cc1ccc2oc(CNC(=O)/C=C\c3ccc(O)c(O)c3)cc2c1 1629448069 IBYPJIVRQMWOJC-DAXSKMNVSA-N 323.348 3.482 10 10 DGCE O=C(NCc1cccc2ncccc12)N1Cc2cccc(O)c2C1 1638195634 LGLXMINARJEZBE-UHFFFAOYSA-N 319.364 3.166 10 10 DGCE O=C(NCc1cc(O)ccc1O)[C@@H]1CCC[C@@H]1c1ccccc1 1637126001 JXODZZYEPXKULR-IAGOWNOFSA-N 311.381 3.298 10 10 DGCE Cc1cc(CCNC(=O)C2CSC2)c(C)n1-c1ccccc1 1634866930 RIVKAHIPIQZVEB-UHFFFAOYSA-N 314.454 3.116 10 10 DGCE O=C(NCc1cccc(Cl)c1O)c1cc2ccccc2[nH]1 1653563975 VHXUGHQWCQNKLA-UHFFFAOYSA-N 300.745 3.457 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)C[C@@H]2CCC[C@H]2C)cc1 1585450343 UEXIPNKCMYLVAH-CVEARBPZSA-N 318.461 3.416 10 10 DGCE Cc1cc2nc(Cl)cc(N(C)Cc3ccccc3O)n2n1 1655286645 SMAVYBDFQLFLKD-UHFFFAOYSA-N 302.765 3.033 10 10 DGCE CC(C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(O)c(O)c1 1583633499 ZMVGPWQOLQZKAG-UHFFFAOYSA-N 317.360 3.217 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@H]1[C@H]2CCC[C@H]21 1686272144 ASGNXJOJSPQEOL-BCDXTJNWSA-N 313.445 3.227 10 10 DGCE CCN1C(=O)/C(=C\c2ccc3ccccc3n2)SC1=S 17163313 PEWPEMPLWULIEA-UKTHLTGXSA-N 300.408 3.456 10 10 DGCE COCCNCc1ccc(N2CCS[C@@H](C)C2)cc1Cl 234688279 DCXVKHTXJLIQIC-LBPRGKRZSA-N 314.882 3.018 10 10 DGCE C[C@H](N)c1ccc(N2CC3(CSC3)C2)c(Br)c1 1942548715 OVYTZNJVVPSEJV-VIFPVBQESA-N 313.264 3.022 10 10 DGCE NCc1ccc(N2CCS[C@H]3CC[C@@H]32)c(C(F)(F)F)c1 2152191388 JMIXZEMWVCSQCE-STQMWFEESA-N 302.365 3.248 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCN2CCCC[C@H]1C2 2154255850 YNJOTDVTJJVYCG-ZDUSSCGKSA-N 315.244 3.369 10 10 DGCE CCNCc1ccc(N2CC(CCF)C2)cc1Br 2041179240 ZMQWFOLWNZZXDG-UHFFFAOYSA-N 315.230 3.354 10 10 DGCE CCCN[C@H](CC1OCCO1)c1ccc(N2CCCCC2)cc1 2163099651 JZVWGHXRCPLLOJ-GOSISDBHSA-N 318.461 3.481 10 10 DGCE COC[C@H](C)CN(C)c1ccc([C@@H](C)N)cc1Br 386323987 LCFRBOUNIAWFCN-GHMZBOCLSA-N 315.255 3.188 10 10 DGCE Nc1ccc(CC(=O)Nc2cc(F)cc(Br)c2)cc1 387407867 RZMSBNSXAHVTJE-UHFFFAOYSA-N 323.165 3.352 10 10 DGCE C[C@@H](N(C)c1ccc(CN)cc1F)C(F)(F)C(F)(F)F 2182436865 LEENOZHLLMOKFF-SSDOTTSWSA-N 300.246 3.307 10 10 DGCE COc1cc(Oc2ccc(N)cc2)c(N)cc1Br 2082458587 DLNYAQAGGHJMGV-UHFFFAOYSA-N 309.163 3.414 10 10 DGCE C[C@](O)(c1ccccc1Br)[C@@H](N)c1ccccc1O 2091863982 QMVJDXNVDDHOMQ-GJZGRUSLSA-N 322.202 3.062 10 10 DGCE COCCNCc1cc(OC)ccc1N(C)Cc1ccccc1 2211285739 WXCRUQQDUVGRMP-UHFFFAOYSA-N 314.429 3.068 10 10 DGCE COc1ccnc(C)c1NCc1cccc(Br)c1O 2230123060 ZJOIBTUKXZFZIX-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE Cc1ccc(CN(C)[C@]2(C)CCOC2)c(O)c1Br 2327564961 QNGQAEGDOKMSPY-CQSZACIVSA-N 314.223 3.074 10 10 DGCE CCN(Cc1ccc(C)c(Br)c1O)[C@@H](C)COC 2327567613 LAARDJIGISFVPK-NSHDSACASA-N 316.239 3.320 10 10 DGCE Cc1cc(O)c(CN(C)CC(=O)NC(C)(C)C)cc1C(C)C 8147859 ZEEIWQPFGBNYHK-UHFFFAOYSA-N 306.450 3.171 10 10 DGCE CCOc1ccc(/C=C/C(=O)Nc2ccc(N)cc2)cc1OC 20327282 QVXHEFQPPGRHTE-VZUCSPMQSA-N 312.369 3.328 10 10 DGCE COc1ccc(CNC(C)(C)c2nc(C)c(C)s2)c(O)c1 124730970 QUTGIIJJVIICLE-UHFFFAOYSA-N 306.431 3.499 10 10 DGCE C[C@@H](NCc1cc(OC(F)(F)F)ccc1O)C(F)(F)F 2361163720 RVGDXUKIXVJQEZ-ZCFIWIBFSA-N 303.202 3.331 10 10 DGCE CCCOc1ccc(CN(C)CC2(N(C)C)CCC2)c(O)c1 187902701 GUGAELAWSAYHLY-UHFFFAOYSA-N 306.450 3.097 10 10 DGCE COCCNCc1ccc(N2CCS[C@@H](C)[C@@H]2C)cc1C 133288032 SOVIXBQCMYDLCK-GJZGRUSLSA-N 308.491 3.061 10 10 DGCE COc1ccc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)c(O)c1 46836227 ZZKULFUGOYVLOE-QGZVFWFLSA-N 310.353 3.130 10 10 DGCE CSc1ncc(Cn2cncc2[C@@H]2CCCC[C@@H]2N)s1 2367239395 ZZXWYRWTCIWCAI-NEPJUHHUSA-N 308.476 3.095 10 10 DGCE CCN(CC)c1ccc(NC(=O)c2ccc(O)c(O)c2)cc1 243280556 LAFMVZRAKKGMTE-UHFFFAOYSA-N 300.358 3.196 10 10 DGCE CC(=O)N(C(=S)N1[C@@H](C)CCC[C@H]1C)c1ccc(N)cc1 243320012 LMSZDUDWBSBJEX-TXEJJXNPSA-N 305.447 3.170 10 10 DGCE COc1ccc(N2CCC(N[C@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 366391717 YHSBPSCLMYMIMJ-DOXZYTNZSA-N 300.446 3.442 10 10 DGCE CNc1ccc(Nc2cccc(Br)c2C(N)=O)cc1 702876074 GBNLKLDDHUPYOZ-UHFFFAOYSA-N 320.190 3.333 10 10 DGCE COc1cccc(CNC(=O)NC[C@@H](C)C2CCCCC2)c1O 823657148 AQYWYLLKVKRMNV-CYBMUJFWSA-N 320.433 3.416 10 10 DGCE CN(C)c1ccc(/C=C/CNc2ccc3c(c2)C(=O)NCC3)cc1 835045014 RCBFSGIFZBUGPJ-ONEGZZNKSA-N 321.424 3.164 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1c(Cl)n[nH]c1C 901053302 NNDBXHBRHKZEEN-UHFFFAOYSA-N 307.781 3.130 10 10 DGCE CC(C)=CC[C@@H](NC/C=C/c1ccc(N(C)C)cc1)C(=O)O 904033078 QGNWCOXGTZNSQU-FUTAKVPZSA-N 302.418 3.165 10 10 DGCE CCc1cccc(CN[C@H](C)c2ccc(-n3ccnn3)cc2)c1O 848900969 SKWIPPNAVFIJEZ-CQSZACIVSA-N 322.412 3.386 10 10 DGCE C[C@@H](O)[C@@H](NCc1c(O)cccc1Cl)c1ccccc1F 846018274 SGQDPFRSZKOVON-QLJPJBMISA-N 309.768 3.396 10 10 DGCE c1csc(SCCCN[C@@H]2CC[C@H]3COCC[C@@H]3C2)n1 921756592 YWDULCOLUQDBQZ-HZSPNIEDSA-N 312.504 3.420 10 10 DGCE CCOc1ccc(CN[C@H]2C[C@H](Oc3ccccc3)C2)c(O)c1 850375314 XGUSWBQSQWTFOQ-RZDIXWSQSA-N 313.397 3.491 10 10 DGCE COC[C@H](CNCc1cc(Cl)cc(OC)c1O)C(C)C 1335566008 QDOQHNSBLSCHLL-LBPRGKRZSA-N 301.814 3.062 10 10 DGCE CCOCc1cc(CN[C@@H]2CC(C)(C)CC[C@H]2O)ccc1OC 865699613 CTLCFRQDAUEOLR-IAGOWNOFSA-N 321.461 3.261 10 10 DGCE CC[S@](=O)CCN[C@H](C)c1ccc(N2CCCCC2)cc1 765935493 GGWKHRUZTXWTAY-VFNWGFHPSA-N 308.491 3.096 10 10 DGCE COc1cccc(O)c1CN1CCc2[nH]c3ccccc3c2C1 768231432 UQCBWXWGGXCWRW-UHFFFAOYSA-N 308.381 3.440 10 10 DGCE CN(C)c1ccc(CNc2cccc(-n3nccn3)c2)cc1F 864043206 HZUKQNGFCNSAKO-UHFFFAOYSA-N 311.364 3.085 10 10 DGCE O=C(c1ccc(OC2CCC2)cc1)N1Cc2cccc(O)c2C1 871202263 BLJALRLYQLTGRM-UHFFFAOYSA-N 309.365 3.480 10 10 DGCE COc1ccc([C@@H](C)CC(=O)N2Cc3cccc(O)c3C2)cc1 871204278 WZWMZFWUVOUBRX-ZDUSSCGKSA-N 311.381 3.437 10 10 DGCE COc1cc(C)cc(CN2CCCC[C@@H]2c2ccnn2C)c1O 799148611 DFUAEMFNIQIZJN-MRXNPFEDSA-N 315.417 3.170 10 10 DGCE O=C(NCC[C@@H]1CCCCO1)c1cc2cc(O)c(O)cc2s1 897350082 ZMLFNSPKLSWXMX-NSHDSACASA-N 321.398 3.002 10 10 DGCE CC(C)COc1ccc(C(=O)NCc2c(O)cccc2F)cc1 1156170002 BHWXZXYAIOMMSJ-UHFFFAOYSA-N 317.360 3.496 10 10 DGCE CCN[C@]1(C(=O)OCC)CCC[C@H](Sc2nccs2)C1 93778680 AWJVCMKIWAIKFZ-SMDDNHRTSA-N 314.476 3.089 10 10 DGCE O=C(O)CCN(Cc1ccccc1)Cc1c(O)cccc1F 1958794365 PXIFFOCPOYMKMS-UHFFFAOYSA-N 303.333 3.008 10 10 DGCE CCc1cnc(O)c(C(=O)NCc2c(O)ccc3ccccc23)c1 1304090355 FEZOICOJFLJPAD-UHFFFAOYSA-N 322.364 3.138 10 10 DGCE Oc1c(CNc2cnc3ccccc3n2)ccc2cccnc12 1163537785 DYKGYPKXPADDNW-UHFFFAOYSA-N 302.337 3.496 10 10 DGCE O=[N+]([O-])c1c[nH]c2ccccc2c1=NCc1c(O)cccc1F 1164185610 NUAZEFCWWYEPHJ-UHFFFAOYSA-N 313.288 3.022 10 10 DGCE C[C@]1(C(F)F)CN(Cc2ccc3ccccc3c2O)CCO1 1350736004 STBACNKAHYLZFB-QGZVFWFLSA-N 307.340 3.401 10 10 DGCE CC[C@@H](C)[C@H](OC)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1351164072 SVWRWPPVHPNJFQ-QAPCUYQASA-N 318.461 3.306 10 10 DGCE CN(Cc1ccccc1)C1CN(c2ccc(CN)c(Cl)c2)C1 1914186857 JDOKMVSJPNRXRG-UHFFFAOYSA-N 315.848 3.119 10 10 DGCE O=C(NCc1ccccc1O)c1cc2c(Cl)nccc2o1 1622772939 OUTIDBVKNYCPHU-UHFFFAOYSA-N 302.717 3.117 10 10 DGCE COC1(C)CN(C(=O)c2cc(C)ccc2-n2c(C)ccc2C)C1 1637792853 IKWROJGHWWZWCP-UHFFFAOYSA-N 312.413 3.263 10 10 DGCE C[C@@H]1C[C@@H](C(=O)NCc2c(O)ccc3ccccc23)CCC1=O 1639384444 KMANOLLMULSCHE-OCCSQVGLSA-N 311.381 3.167 10 10 DGCE O=C(Nc1ccnn1Cc1ccc(F)cc1)c1cc(O)cs1 1565569728 AQCJZWALNXANTQ-UHFFFAOYSA-N 317.345 3.090 10 10 DGCE COc1cc(C(=O)NCc2ccc3cccnc3c2O)ccc1C 1570531978 VLPAROVTNTXBMZ-UHFFFAOYSA-N 322.364 3.187 10 10 DGCE CN(C)c1ccc(CN2CCC[C@@]2(C)C(=O)OC(C)(C)C)cc1 1643956057 VHTWDPSOPSHXKV-IBGZPJMESA-N 318.461 3.449 10 10 DGCE COc1ccc(CN[C@H](C)[C@@H](C)NC(=O)CC(C)(C)C)cc1C 1733961586 CWZKOHZVFRBKRM-HUUCEWRRSA-N 320.477 3.423 10 10 DGCE CC[C@H](NCc1ccccc1O)[C@H](C)NC(=O)OC(C)(C)C 1929761974 SKTRFEMDDQAYMY-JSGCOSHPSA-N 308.422 3.174 10 10 DGCE CC(C)Cc1nnc(N(C)Cc2ccccc2O)n1[C@@H]1C[C@H]1C 1692079817 FZBZRZDRLKAYDN-UKRRQHHQSA-N 314.433 3.400 10 10 DGCE CC(C)CN1N=C(C(F)(F)F)/C(=C/c2cccc(O)c2)C1=O 1865654174 IYYHFCZROXIPLQ-GHXNOFRVSA-N 312.291 3.192 10 10 DGCE C[C@H](N)c1ccc(N2C[C@H](C)[C@H](F)C2)cc1Br 1947330462 CPQXPWVFSGTQPO-MWODSPESSA-N 301.203 3.263 10 10 DGCE CC[C@H](N[C@@H]1C[C@H]1CNC(=O)OC(C)(C)C)c1ccccc1O 1973247955 KCXWNTAJJLGMIG-AEGPPILISA-N 320.433 3.346 10 10 DGCE CCN(CCN(C)CCc1ccc(N)cc1)C(=O)OC(C)(C)C 1977898907 YWOUADVJOGMYNG-UHFFFAOYSA-N 321.465 3.000 10 10 DGCE CN[C@H]1CCc2cc(N(Cc3ccccc3)C[C@H](C)O)ccc21 1986605730 CPOLJBFUNCDJJE-YWZLYKJASA-N 310.441 3.281 10 10 DGCE CN(Cc1cc(Br)ccc1O)CP(C)(C)=O 1992338653 PKGTYCUYXDAGCR-UHFFFAOYSA-N 306.140 3.167 10 10 DGCE CN(C)c1ccc([C@@H](O)c2ccnn2Cc2ccccc2)cc1 1994382498 NMOBJIVTARFRSE-LJQANCHMSA-N 307.397 3.079 10 10 DGCE Cc1ccc(CNC[C@@H]2CCCN2Cc2ccccc2)c(O)c1 1994458423 SQLWTDAMZKGECZ-IBGZPJMESA-N 310.441 3.455 10 10 DGCE Oc1c(Br)cccc1CN[C@H]1C[C@H]1C(F)(F)F 1998615068 PKYXYKYHLXRPOB-APPZFPTMSA-N 310.113 3.195 10 10 DGCE CN(c1ccc(CN)c(Br)c1)[C@@H]1CCC[C@@H]1F 2006793641 KKHZVQPUJYNDLJ-QWHCGFSZSA-N 301.203 3.235 10 10 DGCE CC1=C[C@H](NCc2cc(Br)cc(F)c2O)CC1 2007137222 NPLVGYTUTAGNTI-LLVKDONJSA-N 300.171 3.492 10 10 DGCE C[C@@H](O)c1ccc(N(C)CC2(F)CC2)c(Br)c1 2025733841 VUSADZWGDKJBGW-SECBINFHSA-N 302.187 3.441 10 10 DGCE CCNCc1ccc(N2CC[C@@](C)(F)C2)c(Br)c1 2034880283 CHHOBSNFMJMCQL-CQSZACIVSA-N 315.230 3.497 10 10 DGCE CC[C@@H](c1ccc(OC)cc1O)n1nc(C)c(C=O)c1Cl 2079956319 JMWBHBQIVTWHJD-ZDUSSCGKSA-N 308.765 3.371 10 10 DGCE CN(c1cc(Br)c(CN)cc1F)[C@@H]1CC[C@H]2C[C@@H]21 2046868092 WPSBSIVLCNKRJS-GMOODISLSA-N 313.214 3.282 10 10 DGCE Cc1ocnc1CN(C)c1ccc([C@H](C)N)c(Br)c1 2104085535 WPNLAUMWCJSFNZ-VIFPVBQESA-N 324.222 3.402 10 10 DGCE CN(C)c1ccc(Cn2cc(Br)cc2C(=O)O)cc1 2104182580 DXBJYQNFRHSZSH-UHFFFAOYSA-N 323.190 3.063 10 10 DGCE CCNCc1ccc(N2C[C@H]3C=C[C@@H]2C3)cc1Br 2308764661 RBHCDLTXBGPBAH-WCQYABFASA-N 307.235 3.323 10 10 DGCE COc1ccccc1C=C1C(=O)N(Cc2ccccc2)N=C1C 2332141344 RCBZAUPAFYQXFL-UHFFFAOYSA-N 306.365 3.497 10 10 DGCE CN[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CC1(C)C 2336378628 RMZDZTSYBNTOMT-LBPRGKRZSA-N 303.233 3.129 10 10 DGCE C[C@@H](Oc1cccc(Cl)c1)C(=O)N(C)c1ccc(N)cc1 51018203 PMFQZNTVIKYPGV-LLVKDONJSA-N 304.777 3.353 10 10 DGCE FC(F)(F)Oc1ccc(N2CC[C@H](CNC3CC3)C2)cc1 53010774 WLCXYZWMHWFQMQ-LLVKDONJSA-N 300.324 3.164 10 10 DGCE Cc1cc(C)c(NS(=O)(=O)Cc2ccc(N)cc2)c(C)c1 21032645 GYMDMTSQQSYXQO-UHFFFAOYSA-N 304.415 3.136 10 10 DGCE NCc1ccc(N(CCO)Cc2ccccc2)c(C(F)(F)F)c1 303434120 UMDIGDZZOXLFBM-UHFFFAOYSA-N 324.346 3.163 10 10 DGCE C[C@H](NC[C@@H](O)c1ccc(OC(F)F)cc1)c1ccccc1O 179879180 MNDZHRRMBGEDIU-MEDUHNTESA-N 323.339 3.378 10 10 DGCE CC(C)(C)OC(=O)N1CCc2c(N3CCCC3)ccc(N)c2C1 304388525 YBLZXDAEAVGCLR-UHFFFAOYSA-N 317.433 3.162 10 10 DGCE C[C@H](NCCCC(=O)NC1CC1)c1ccc2ccccc2c1O 173239917 CCEJKLPZSYPKPS-ZDUSSCGKSA-N 312.413 3.255 10 10 DGCE COc1cc(F)c([N+](=O)[O-])c(NCc2ccc(N(C)C)cc2)c1 301327854 BZDQRLJIBIEKJX-UHFFFAOYSA-N 319.336 3.421 10 10 DGCE CN[C@H](C)c1ccc(N2CCC(CN(C)C)CC2)cc1Cl 78905961 SBBHGXZUSZRTNM-CYBMUJFWSA-N 309.885 3.398 10 10 DGCE Cc1ccc(O)c([C@H](C)NCCCc2c(C)nn(C)c2C)c1 186227640 HNTVKZZTNKOMGV-ZDUSSCGKSA-N 301.434 3.334 10 10 DGCE CCC1(CC)CN(CCCCN)c2cc(OC)c(OC)cc2N1 75280717 PDZWTEBPSSPMTF-UHFFFAOYSA-N 321.465 3.233 10 10 DGCE COc1ccccc1[C@@H](O)CN[C@H](C)c1ccc(C)cc1O 185098142 XTLAVOMWXHCVOX-DYVFJYSZSA-N 301.386 3.093 10 10 DGCE COc1ccc(N(C)Cc2ccc(C(N)=S)cc2F)cc1 49969839 KSWRTBLFNHIHRW-UHFFFAOYSA-N 304.390 3.105 10 10 DGCE O=[N+]([O-])c1ccc(O)c(CN[C@H]2CCCc3c(O)cccc32)c1 191657647 PZKRWKNSMSPENV-HNNXBMFYSA-N 314.341 3.173 10 10 DGCE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1C[C@@H](C)C[C@@H](C)C1 198206967 KPFNNMPZGQKCHY-BETUJISGSA-N 311.385 3.369 10 10 DGCE Nc1ccc(Nc2cc(F)c(Br)cc2F)nc1 232157781 YKNBEQMDNULIBB-UHFFFAOYSA-N 300.106 3.448 10 10 DGCE CCN(C(=O)/C=C\c1cnn(-c2ccccc2)n1)c1ccccc1 97086707 MMLLQFHJKVIHOI-YPKPFQOOSA-N 318.380 3.334 10 10 DGCE CCCOc1ccc(CN2CCO[C@H](c3ccco3)C2)c(O)c1 93841683 PXWCWPHBBIBYGK-SFHVURJKSA-N 317.385 3.348 10 10 DGCE COc1ccc(O)c(CNC(=O)C/C=C\c2ccc(C)cc2)c1 254959552 FIIXSXUDIUQERJ-ARJAWSKDSA-N 311.381 3.429 10 10 DGCE CNCc1ccc(N2CCS[C@H](C(F)(F)F)C2)c(F)c1 721388667 JLOCHNAUCRKHSS-LBPRGKRZSA-N 308.344 3.029 10 10 DGCE Oc1cccc2c1[C@H](NC[C@H]1CC[C@H](C(F)(F)F)O1)CC2 903174992 BRECDKGGDNSCQR-NQBHXWOUSA-N 301.308 3.079 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)N(C)Cc2cc[nH]n2)c1 732660840 UTHQKSTYYNFTME-UHFFFAOYSA-N 322.412 3.398 10 10 DGCE Nc1ccc(CCNC(=O)N2CCCC[C@@H]2C2CCC2)cc1 831178105 IGFYDCUDSPUPSA-QGZVFWFLSA-N 301.434 3.176 10 10 DGCE CC1(CC(F)F)CN(Cc2ccc(N3CCOCC3)cc2)C1 843424813 LBSVGXSDRZAFBL-UHFFFAOYSA-N 310.388 3.000 10 10 DGCE Cc1cc(CN2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)ccc1N(C)C 846265608 NGAJROZYFLUSHT-NJAFHUGGSA-N 316.445 3.279 10 10 DGCE C[C@H](CNCc1cccc(Br)c1O)c1ccncc1 749297234 RYOOCHDQRMKFRG-LLVKDONJSA-N 321.218 3.443 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(Nc2ccc(N)cc2)C1 1894518774 WFNAOBLNUSGCCA-UGSOOPFHSA-N 317.433 3.470 10 10 DGCE Cc1nc2c(CCNCc3ccc4c(c3)CCO4)cccc2o1 922770908 SIBGYCPCOWNZNN-UHFFFAOYSA-N 308.381 3.403 10 10 DGCE C[C@@H](N[C@@H](CO)C1CCC1)c1cccc(C(F)(F)F)c1O 850487709 JLANVXBDGOFBPX-RNCFNFMXSA-N 303.324 3.223 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)[C@H](C)C(C)(C)C)C2)cc1 855232902 ZKXIFJNRDQSQSX-KBPBESRZSA-N 304.434 3.072 10 10 DGCE COc1nnc(CN(Cc2ccccc2O)C2CCCC2)s1 929636539 USMLVPIRQPCZMK-UHFFFAOYSA-N 319.430 3.197 10 10 DGCE COc1ccc(N2CC[C@@H](CN[C@@H]3CCCSCC3)C2)cc1 850473988 HAVHUXLAJMRTBV-JKSUJKDBSA-N 320.502 3.397 10 10 DGCE CN1CCN(c2ccc(CNC(C)(C3CC3)C3CC3)cc2)CC1 850399100 VLCILWRAYTUOMO-UHFFFAOYSA-N 313.489 3.107 10 10 DGCE CC(C)(C)OC(=O)C1(CN[C@H]2CCc3cccc(O)c32)CCC1 850572574 DLQQZJPUKJNAFY-AWEZNQCLSA-N 317.429 3.481 10 10 DGCE CC(C)N[C@](C)(CCCCSc1nccs1)C(=O)O 45596406 QUXBHJIVZAAACJ-CYBMUJFWSA-N 302.465 3.247 10 10 DGCE Nc1ccc(C[C@@H](O)Cc2cccc(Br)c2)cc1 696515573 QCQRBHJNOROGCL-OAHLLOKOSA-N 306.203 3.177 10 10 DGCE Cc1ccc(O)c(CNC(=O)[C@H]2CC[C@@H](C(F)(F)F)C2)c1 862756339 WAWFFIXCUVPSOW-CMPLNLGQSA-N 301.308 3.295 10 10 DGCE COCc1sccc1C(=O)N(C)Cc1ccc(N(C)C)cc1 864633325 GANHTWYVLXEHSU-UHFFFAOYSA-N 318.442 3.233 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCOC[C@H]1C 766392097 GPQYEXOPJCXXMW-QAPCUYQASA-N 318.461 3.162 10 10 DGCE COC(=O)/C=C/c1ccc(N2CC[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 764186564 HQOOGWKOKNHMSN-UFZAZABTSA-N 316.357 3.017 10 10 DGCE CC(=O)c1cc(F)cc(CNC2([C@H]3CCCCO3)CCC2)c1O 879732471 KAAPEMSVSOQEJW-MRXNPFEDSA-N 321.392 3.315 10 10 DGCE Cc1cc([C@@H](C)NC(=O)/C=C\c2ccc(O)c(O)c2)ccc1F 779527575 GWTHPJJSDLEMAR-HXUAIIEXSA-N 315.344 3.436 10 10 DGCE Nc1ccc(CCC(=O)OCCCOCc2ccccc2)cc1 390723700 CLXUWUWDMQSNDD-UHFFFAOYSA-N 313.397 3.352 10 10 DGCE C[C@H](C1CC1)N(C)c1cc(Br)c(CN)cc1F 393842690 ACAQBCKOMOYBGH-MRVPVSSYSA-N 301.203 3.282 10 10 DGCE COc1ccc(O)c(CNC(=O)[C@@H]2[C@H](C)[C@H]2c2ccccc2)c1 797745143 WNZNNQUBUPQJIU-OCBCSQNSSA-N 311.381 3.067 10 10 DGCE Cc1ccc(C(=O)Nc2nc3c(s2)CCCCC3)c(O)c1O 1142880391 KPVIGMPDZKYDGA-UHFFFAOYSA-N 318.398 3.384 10 10 DGCE O=C(NCCOc1ccc(F)c(Cl)c1)c1cc(O)cs1 1158642205 ZCNHFBUEQYZAAK-UHFFFAOYSA-N 315.753 3.055 10 10 DGCE O=[N+]([O-])c1cnc(NCc2c(O)cccc2O)c2ccccc12 1164211336 BJOIVYPDUBPUBL-UHFFFAOYSA-N 311.297 3.166 10 10 DGCE C/C(=C/C(=O)N(C)c1cccc2ncccc12)c1cnccn1 1267368549 TWAVOLYDEXLIHL-QBFSEMIESA-N 304.353 3.091 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)/C=C\c1ccco1 1436857690 VCZUBGXGMJCHOF-FJVVXJACSA-N 312.413 3.415 10 10 DGCE CN(CCN=[N+]=[N-])C(=O)CSCc1ccc(Cl)s1 1912147991 NTBIQFRBCPLAOF-UHFFFAOYSA-N 304.828 3.403 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)c1cc(F)cc(C)c1N 1443819765 NVJKMZDOWWISRE-UHFFFAOYSA-N 315.392 3.021 10 10 DGCE C[C@H]1C[C@@H]1n1c(-c2ccc[nH]2)nnc1N(C)Cc1ccccc1O 1291038519 PWUWKFFXARUOOX-WFASDCNBSA-N 323.400 3.196 10 10 DGCE CC(C)(C(=O)NCc1cc(O)ccc1O)c1cccc(Cl)c1 1471660816 AKUZLTWVPBZRJH-UHFFFAOYSA-N 319.788 3.345 10 10 DGCE COc1ccc2cc(C(=O)N[C@H](C)c3ccccc3O)cnc2c1 1632250308 QEJMMGRWXVLXNN-GFCCVEGCSA-N 322.364 3.440 10 10 DGCE C[C@@H](NCc1ncccc1Br)c1cc(O)ccc1O 1927118272 ULLAMWNTQNZNDZ-SECBINFHSA-N 323.190 3.106 10 10 DGCE CCN(C)c1ccc(CN2CCC[C@@H]2C(=O)NC(C)(C)C)cc1 1655658429 CNAZMVMSDPQFTN-QGZVFWFLSA-N 317.477 3.022 10 10 DGCE C[C@H](NC(=O)OC(C)(C)C)C(C)(C)[C@@H](N)c1ccccc1O 1928837974 LWLMTMZAEZITSS-FZMZJTMJSA-N 308.422 3.331 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)c1ccc(Cl)cc1O 1583816978 PDPUIMRELVEZJP-UHFFFAOYSA-N 312.152 3.335 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1CCO[C@@H]1C1CC1 230314927 OXYKFUXTDMGHRP-TZMCWYRMSA-N 302.201 3.356 10 10 DGCE C[C@@H](NC(=O)/C=C/c1cnc2ccccc2n1)c1ccccc1O 1587444911 RFEGYXNUVDGGQE-OCHBPSSRSA-N 319.364 3.226 10 10 DGCE C[C@@H]1C[C@@H](Nc2ccccc2N)CCN1C(=O)OC(C)(C)C 1959373465 IWTOEQXSTOFJAU-OLZOCXBDSA-N 305.422 3.469 10 10 DGCE Cc1cccc(-n2c(C)cc(CNC(=O)NCCF)c2C)c1 1683303267 LHCIEERWXJKLQV-UHFFFAOYSA-N 303.381 3.171 10 10 DGCE Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCc1cccnc1 19678978 FWLNBSSUHBBTPT-UHFFFAOYSA-N 307.309 3.002 10 10 DGCE C[C@H](N[C@H](C)c1ccc(-n2cncn2)cc1)c1ccccc1O 153959281 CNTPUJJWZPERGC-KGLIPLIRSA-N 308.385 3.385 10 10 DGCE CCCN1N=C(CC)/C(=C\c2cccc(OC)c2OCC)C1=O 1865669965 ATIHJPRYAZDBTQ-WYMLVPIESA-N 316.401 3.496 10 10 DGCE CC[C@@H](N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1O 1938283998 WZSCMUADXRDJIB-VNHYZAJKSA-N 320.433 3.489 10 10 DGCE Cc1cccc(O)c1CNC[C@H]1CCCN1C(=O)OC(C)(C)C 1976875720 NYDZNYKOTWBQEE-CQSZACIVSA-N 320.433 3.190 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@](C)(CNCc2ccc(N)cc2)C1 1976953792 UVRHYPXQQSRMGA-GOSISDBHSA-N 319.449 3.006 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(CCCN=[N+]=[N-])C[C@@H]21 1982246901 APEYWCMKQYJVAK-MELADBBJSA-N 323.441 3.312 10 10 DGCE Oc1cccc(Br)c1CNCC1(Cl)CCC1 1991659783 DLURAWABLBQMRN-UHFFFAOYSA-N 304.615 3.406 10 10 DGCE CCSC[C@@H](C)N(C)c1ccc(CN)c(Br)c1 706379732 ACVFPEIQXPGXDB-SNVBAGLBSA-N 317.296 3.486 10 10 DGCE COc1cc(Cl)cc(CNCC2CC3(CSC3)C2)c1O 717920191 ANZHWBCWSZJXNV-UHFFFAOYSA-N 313.850 3.287 10 10 DGCE C[C@]1(F)CCCN(Cc2cc(Br)ccc2O)C1 824472366 RBQULNCXFVQTMH-ZDUSSCGKSA-N 302.187 3.479 10 10 DGCE CCc1nn(Cc2cccc(C)c2O)c(C(F)F)c1[N+](=O)[O-] 2079046404 ABRLLFPITORISE-UHFFFAOYSA-N 311.288 3.354 10 10 DGCE C[C@H]1C[C@H]1N(C)c1ccc(C=CC(=O)O)c(Br)c1 2052757368 QBDSAAWQYHHTBD-TVQRCGJNSA-N 310.191 3.392 10 10 DGCE COc1ccc(N(C)CCCOCc2ccccc2)c(CN)c1 2211284471 AGYCJTASURSVRE-UHFFFAOYSA-N 314.429 3.197 10 10 DGCE COc1ccc(Br)c(N(C)Cc2ccc(N)cc2)n1 2265804291 SALXGYJRXHJIPI-UHFFFAOYSA-N 322.206 3.071 10 10 DGCE Cc1c(Br)n[nH]c(=N[C@H](C)c2ccccc2O)c1C 2226494691 LUQBVKWJPQQVBF-SNVBAGLBSA-N 322.206 3.157 10 10 DGCE N[C@@H](c1ccccc1O)c1cc(F)c(Br)cc1F 2255687073 BDMAXDYTEBDJDB-ZDUSSCGKSA-N 314.129 3.481 10 10 DGCE CCN1C(=O)NC(=Cc2cc(C)n(-c3ccc(C)cc3)c2C)C1=O 2297454419 ZKJWUESGFTXOIS-UHFFFAOYSA-N 323.396 3.315 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)N[C@H]1CCCc2ccccc21 2307978359 HTOFSFLZQXCOJH-INIZCTEOSA-N 309.365 3.305 10 10 DGCE Cc1ccc([C@H](C)NC(=O)C=Cc2ccc(O)c(O)c2)cc1F 2308002385 YYUZPIRLAULXIA-LBPRGKRZSA-N 315.344 3.436 10 10 DGCE Oc1cccc(Br)c1CN[C@@H]1C[C@@H]2C[C@H]1[C@@H]1C[C@@H]21 2309577356 BWJHHUAOTGDHOF-GRZGAGJTSA-N 308.219 3.289 10 10 DGCE O=C1CCN(C(=O)CCn2c3c(c4ccccc42)CCCC3)CC1 1848914098 IUFNEZMKHQHDSE-UHFFFAOYSA-N 324.424 3.102 10 10 DGCE C[C@H](N)c1ccc(N2CC[C@@H](N3CCCCC3)C2)c(Cl)c1 109572540 SQBVNBFXDYTOAM-DZGCQCFKSA-N 307.869 3.424 10 10 DGCE CN[C@@H](C)c1ccc(N(C)[C@H](C)COC)cc1Br 300512574 AIALEUCIHSIKMI-MNOVXSKESA-N 315.255 3.201 10 10 DGCE COc1ccc(O)c([C@@H](C)NCc2ncc(C)c(OC)c2C)c1 182390274 TUFNGBUJKWTJLV-CYBMUJFWSA-N 316.401 3.272 10 10 DGCE Nc1ccc(OCCC[S@@](=O)c2ccc(F)cc2F)cc1 40968898 JCINCVNXZQUFCX-NRFANRHFSA-N 311.353 3.124 10 10 DGCE C[C@@H]1SCCS[C@@H]1c1noc(-c2sccc2O)n1 135962581 AUAOOGMCHUNZCT-XPUUQOCRSA-N 300.430 3.413 10 10 DGCE O=C(O)[C@H]1CCC[C@H]1CNCc1cc(Cl)cc(Cl)c1O 89446619 HRIKPOWFQDRLBY-KWQFWETISA-N 318.200 3.290 10 10 DGCE CO[C@H](C)[C@H](C)N[C@@H](C)c1cc(Br)ccc1O 191640993 OTKRFVYHYHAMON-LPEHRKFASA-N 302.212 3.229 10 10 DGCE C[C@H](NC(=O)COc1ccc(N)cc1)c1cccc(Cl)c1 40311541 CTSONQPMSSJURC-NSHDSACASA-N 304.777 3.178 10 10 DGCE COCCn1c(C)c(C)c2cc(C(=O)N(C)CC3CC3)ccc21 343193376 CIMGTFXWRBBNDW-UHFFFAOYSA-N 314.429 3.387 10 10 DGCE C[C@H](N[C@@H](C)[C@@H]1CCCCO1)c1ccc(N2CCOCC2)cc1 271949586 ZRGHJLGDYJKPFL-BXWFABGCSA-N 318.461 3.131 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccoc1C1CC1 282587133 LLZSDVZEWQDHFW-UHFFFAOYSA-N 312.369 3.262 10 10 DGCE CN1CCCc2cc([C@@H](NN)c3cc(Cl)cs3)ccc21 2163106492 OCDNZGHHHLSGKT-OAHLLOKOSA-N 307.850 3.337 10 10 DGCE C[C@H](N[C@H](C)[C@H](O)c1ccccc1)c1cc([N+](=O)[O-])ccc1O 290187957 FUKXVARPJDMOPT-JKDFXYPNSA-N 316.357 3.073 10 10 DGCE C[C@@H](N[C@@H]1CC12CC2)c1cc(Br)c(F)cc1O 818357164 VUVFASOGPJOLQD-JMCQJSRRSA-N 300.171 3.497 10 10 DGCE Cc1cc(CN(C)Cc2c(C)nn(C)c2Cl)ccc1N(C)C 839586804 YEXUQADWVDSUMI-UHFFFAOYSA-N 320.868 3.388 10 10 DGCE Cc1ccsc1[C@@H](CO)NC/C=C/c1ccc(N(C)C)cc1 835042886 LCVCMXSKROOTOR-LAQIPUCWSA-N 316.470 3.459 10 10 DGCE Cc1cc([N+](=O)[O-])ccc1CN1CCCc2cc(CN)ccc21 843057435 DIWGEWZSZHATCO-UHFFFAOYSA-N 311.385 3.315 10 10 DGCE C[C@@H](CCC(F)(F)F)NC[C@H](N)c1ccc(N(C)C)cc1 841044981 HEKMDTAZKHJNJD-FZMZJTMJSA-N 303.372 3.073 10 10 DGCE O=C(COc1ccc(N2CCCC2)cc1)NC1CCCCC1 749791469 ODJITXZELAQUET-UHFFFAOYSA-N 302.418 3.115 10 10 DGCE C[C@H](N[C@@H](C)[C@@](C)(O)c1ccccc1)c1ccc(F)cc1O 846186136 DSIJUMRTTBUIIL-ZJNRKIDTSA-N 303.377 3.478 10 10 DGCE CSc1cccnc1C(=O)N(C)Cc1ccc(N(C)C)cc1 845114381 JICSOONAJRXZCW-UHFFFAOYSA-N 315.442 3.142 10 10 DGCE CCC[C@H](C)CC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855229340 ITIVAIHTRBYVGO-LSDHHAIUSA-N 304.434 3.216 10 10 DGCE CC[C@H](N[C@H](CO)[C@@H]1CCC[C@H](OC)C1)c1ccc(C)cc1O 850501810 POIIIHFHXCFGCK-MXSMSXNCSA-N 321.461 3.307 10 10 DGCE CN(C)c1cc(F)c(CN2CCC[C@@]3(CCCOC3)C2)cc1F 862248053 GRGRBAZQVOIUQA-GOSISDBHSA-N 324.415 3.423 10 10 DGCE CN(C)c1cc(F)c(CNCC[C@H]2CCSC2)cc1F 865651577 XCNYJURDRCDDBH-NSHDSACASA-N 300.418 3.264 10 10 DGCE Oc1cccc2c1CN(c1ncnc3sc4c(c13)CCC4)C2 866120282 YRIJBZFGKRCQQR-UHFFFAOYSA-N 309.394 3.406 10 10 DGCE Oc1c(Cl)cccc1CN[C@]1(c2ccccc2)C[C@H](O)C1 895513291 XPEAXADAJHYZTL-KDYLLFBJSA-N 303.789 3.185 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)c2ccnc(Cl)c2Cl)C1 2120742425 LBDKDMZQEVYCMP-ZETCQYMHSA-N 300.149 3.303 10 10 DGCE c1cc(N2CCCC2)ccc1CN1CC[C@H]2CSC[C@H]2C1 1262012423 VXEVLWLUMDOKHX-DLBZAZTESA-N 302.487 3.472 10 10 DGCE c1cc(N2CCCC2)ccc1CNC[C@@H]1C[C@@H]2CCC[C@H]2O1 1349625454 NPWWMYZJIHOVSU-YTQUADARSA-N 300.446 3.334 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(F)c(O)c1 1442339937 CMSFBBSHDXHQKR-UHFFFAOYSA-N 316.376 3.260 10 10 DGCE Cc1cc(C)cc(CC(=O)NCc2ccc(N(C)C)c(F)c2)c1 1527013522 HSEFDBVWZAQBEA-UHFFFAOYSA-N 314.404 3.367 10 10 DGCE COCC1(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)CCC1 1523554698 YBENJUKMUAHZDV-UHFFFAOYSA-N 316.445 3.062 10 10 DGCE COc1ccccc1SCC(=O)N1Cc2cccc(O)c2C1 1471355818 WKJPGUNLNCHMNR-UHFFFAOYSA-N 315.394 3.035 10 10 DGCE Cc1cc(CNC(=O)[C@@H]2C[C@@H](C)CO2)c(C)n1-c1ccccc1 1624075621 WHFAUPIOWMVYNK-ACJLOTCBSA-N 312.413 3.135 10 10 DGCE C[C@H](SCc1ccccc1)C(=O)NCc1cc(O)ccc1O 1558174362 KPWACCKSVDIOOE-LBPRGKRZSA-N 317.410 3.036 10 10 DGCE C[C@@H](NC(=O)N1Cc2cccc(O)c2C1)c1c(F)cccc1F 1565382659 YZMIFNUGXVNMGE-SNVBAGLBSA-N 318.323 3.457 10 10 DGCE Cc1ccc(F)c(OCC(=O)N[C@@H](C)c2ccccc2O)c1 1587451500 XLBCHMUDGQSEGD-LBPRGKRZSA-N 303.333 3.096 10 10 DGCE COc1ccc(CN[C@H](C)[C@@H](C)NC(=O)C2CCCC2)cc1C 1674618664 MFLQRKUUKUBSPS-HUUCEWRRSA-N 318.461 3.177 10 10 DGCE CCCN(Cc1cc(OC)c(OC)cc1O)C[C@@H]1CCCCO1 160161174 BGJFMZXVWXFPGN-HNNXBMFYSA-N 323.433 3.191 10 10 DGCE Cc1cc(C)c(O)c(CN2CCNC(=O)C[C@@H]2c2ccccc2)c1 164210873 LRGBHEDNKIYZJU-GOSISDBHSA-N 324.424 3.072 10 10 DGCE COc1cccc(/C=C2/C(=O)N(Cc3ccccc3)N=C2C)c1 1865678655 WZGCEBNUZPMKPC-LDADJPATSA-N 306.365 3.497 10 10 DGCE C[C@@H]1[C@@H](NCc2ccc(F)cc2O)CCN1Cc1ccccc1 1964572253 MJJMTMNYWJZTQQ-KDOFPFPSSA-N 314.404 3.284 10 10 DGCE Oc1c(F)cc(Br)cc1CNCC1[C@H]2CC[C@H]12 1966076407 GWTSMWIFMMJNRS-UWVGGRQHSA-N 300.171 3.039 10 10 DGCE C[C@H](O)c1ccc(N2CC3(F)CC2C3)c(Br)c1 2002410201 HARWOWMUSDGHES-LUHBLDKBSA-N 300.171 3.193 10 10 DGCE Cc1ccc(CN[C@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)c(O)c1 1994456432 LRMUUKPVUWFIHL-ZFWWWQNUSA-N 320.433 3.188 10 10 DGCE CN1CCc2cc([C@@H](O)C(=O)c3cscc3Cl)ccc21 2147115621 KBWIKOKCMLMWKT-CQSZACIVSA-N 307.802 3.310 10 10 DGCE N[C@H]1CCc2cc(N3CCCN(Cc4ccccc4)CC3)ccc21 2012709697 PNDXHAVNGPGEHT-NRFANRHFSA-N 321.468 3.345 10 10 DGCE C[C@H]1C[C@]1(F)CNCc1cc(Br)cc(F)c1O 2025707471 PWOQATJCCQFLEX-MADCSZMMSA-N 306.150 3.132 10 10 DGCE CCNCc1cc(F)c(N2C[C@H](C)S[C@@H](C)C2)c(F)c1 70384459 UTOJZECMJKTCKM-QWRGUYRKSA-N 300.418 3.405 10 10 DGCE CCCN1C(=O)C(=Cc2ccc(OC)cc2OC)SC1=S 2053496710 IBHFPZLMCJWCFU-UHFFFAOYSA-N 323.439 3.315 10 10 DGCE NCc1ccc(N(CC(F)F)C2CC2)c(F)c1Br 386056416 GSRIIDYVHSHJFW-UHFFFAOYSA-N 323.156 3.281 10 10 DGCE C[C@H](C(=O)Nc1ccc(O)c(O)c1)[C@H]1OCCc2sccc21 2062404079 HPZOWSLKSBBZMA-BJOHPYRUSA-N 319.382 3.048 10 10 DGCE Nc1ccc(CCNCc2csc(C(F)(F)F)n2)cc1 2188735880 MFMOGALZUXDAED-UHFFFAOYSA-N 301.337 3.076 10 10 DGCE CC[C@@]1(C)C[C@H](N(C)c2cc(Cl)c(CN)cc2F)CO1 2189339065 PYUREWTVCDOTBZ-NHYWBVRUSA-N 300.805 3.332 10 10 DGCE C[C@@H](O)c1ccc(N2CC(F)(C3CC3)C2)cc1Br 2052007778 FXKZWKCLNDIMKI-SECBINFHSA-N 314.198 3.441 10 10 DGCE C[C@H](CCO)N(Cc1ccccc1)c1ccc2c(c1)OCCO2 2210885487 IXGYWVGEPSABBY-OAHLLOKOSA-N 313.397 3.235 10 10 DGCE O=C(O)CCc1cnc(Sc2ncc(C(F)(F)F)s2)[nH]1 2207259684 NBSZQOGAWHYDCL-UHFFFAOYSA-N 323.321 3.053 10 10 DGCE CSc1ncc(CNCc2cc(C(F)(F)F)on2)s1 2208669115 HEJQUAVVLUGRDA-UHFFFAOYSA-N 309.338 3.162 10 10 DGCE O=C(O)C=Cc1ccc(N2CCc3ccccc3C2)c([N+](=O)[O-])c1 2295512499 OMOZWGGWASKVCC-UHFFFAOYSA-N 324.336 3.255 10 10 DGCE CCCCOc1ccc(N=NN(CCOC)CCOC)cc1 2330232714 DZSSPCBBJKYPGQ-UHFFFAOYSA-N 309.410 3.459 10 10 DGCE COc1cccc(C=C2C(=O)N(Cc3ccccc3)N=C2C)c1 2332141425 WZGCEBNUZPMKPC-UHFFFAOYSA-N 306.365 3.497 10 10 DGCE CN(c1ccc(CN)c(Br)c1)[C@@H]1C[C@@H]2C[C@H]1[C@H]1C[C@@H]21 2330298789 IPAANTUIOIJFNU-HBXGPHBESA-N 321.262 3.389 10 10 DGCE Cc1cc(O)c([C@H]2NC3(CCCC3)C(=O)N2CC2CC2)cc1C 178542915 YWDFTSAVLXIXIY-KRWDZBQOSA-N 314.429 3.162 10 10 DGCE CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NCc1ccccc1O 123170742 SFECCBYYPWQUDX-SFHVURJKSA-N 322.449 3.421 10 10 DGCE CCN(CC)c1ccc(CN[C@@H]2C[C@@H]3OCCC[C@@H]32)cc1F 187188438 WDEGRKAXSSNZKU-KYJSFNMBSA-N 306.425 3.329 10 10 DGCE C[C@H](CCSC[C@@H](O)COc1ccc(N)cc1)C(F)F 2364126589 HAOYFJQMWBIDPT-PWSUYJOCSA-N 305.390 3.033 10 10 DGCE CCc1nn(C)c(CSc2nccs2)c1Br 89308962 WTYMFKMKISWCDK-UHFFFAOYSA-N 318.265 3.494 10 10 DGCE CCC(O)(CC)CN(C)c1c(Cl)cc(OC)cc1OC 2368112103 CABHODWUBPWDOZ-UHFFFAOYSA-N 301.814 3.345 10 10 DGCE C[C@@H](NC1CC(NC(=O)OC(C)(C)C)C1)c1ccc(F)cc1O 227581217 PIWVVZORGCIOSK-QFWMXSHPSA-N 324.396 3.238 10 10 DGCE CC[C@H]1CN[C@H](CC)CN1c1cc(Cl)c(OC)cc1OC 86220357 WZEKANAAWBBZST-NEPJUHHUSA-N 312.841 3.324 10 10 DGCE Cc1cc(CN2CCO[C@@H](C(F)F)C2)c(O)c(C(C)(C)C)c1 193450383 XOXIORDIWXLAES-CQSZACIVSA-N 313.388 3.464 10 10 DGCE CO[C@@H]1CCCN(c2ccc([C@@H](C)N)c(Br)c2)C1 234756309 AUSYUVRURLZDQX-ZYHUDNBSSA-N 313.239 3.084 10 10 DGCE Cc1csc([C@H]2COCCN2Cc2cccc(C)c2O)n1 190402612 CSHLEFFGRJWGNH-CQSZACIVSA-N 304.415 3.039 10 10 DGCE Cn1cnnc1[C@H]1CCCN1Cc1c(O)ccc2ccccc12 93809778 DJHODCDUAOPFCX-MRXNPFEDSA-N 308.385 3.011 10 10 DGCE Nc1ccc(CCCN2CC[C@H](OCc3ccccc3)C2)cc1 384014302 NLAWFPRMCREKLU-FQEVSTJZSA-N 310.441 3.493 10 10 DGCE CCCOc1ccc(CN2CCO[C@H]3CCCC[C@H]32)c(O)c1 246062918 YOQVHHIJAYMYOZ-AEFFLSMTSA-N 305.418 3.324 10 10 DGCE O=C1NC(=S)S/C1=C/c1ncc(-c2ccccc2)s1 255505381 UTBHPAJSXMIVII-RMKNXTFCSA-N 304.421 3.299 10 10 DGCE CCC[C@H](C)NC(=O)NCc1cc(Br)ccc1O 804871622 OTPNIOJRZDIUDF-VIFPVBQESA-N 315.211 3.143 10 10 DGCE COc1ccc(N2CC[C@H](NCC3(SC)CCC3)C2)cc1 826845060 DDDBTPMVXGOVFG-AWEZNQCLSA-N 306.475 3.149 10 10 DGCE CCN(CC)c1ccc(CN[C@@H]2CO[C@@H](C3CC3)C2)cc1F 825261064 XDVQRWLPLYAKKC-MAUKXSAKSA-N 306.425 3.329 10 10 DGCE Cc1cc(CO)cc(C)c1CN[C@@H](C)c1c(O)cccc1F 903303024 JDQYDZOPZQPUKT-ZDUSSCGKSA-N 303.377 3.491 10 10 DGCE CCn1ccnc1NCc1cc(Br)cc(F)c1O 905414402 LRIGJEFYPQLKPR-UHFFFAOYSA-N 314.158 3.122 10 10 DGCE CC[C@H](OCCNC(=O)Cc1ccc(N)cc1)c1ccccc1 846687799 GEQAYQDAMKNOPQ-SFHVURJKSA-N 312.413 3.095 10 10 DGCE CCc1noc([C@@H]2CC[C@@H](NCc3ccc(OC)c(C)c3)C2)n1 922871403 FTKYLDOBRHLMPO-HUUCEWRRSA-N 315.417 3.375 10 10 DGCE CC[C@@H](NCC[C@H](N(C)C)C(F)(F)F)c1ccc(F)cc1O 926963146 MNXFMVFQRRQRKP-OCCSQVGLSA-N 322.346 3.455 10 10 DGCE CC[C@H](N[C@H]1C(=O)N(C)Cc2ccccc21)c1ccccc1O 857875333 KSFKAMCOGFREFB-FUHWJXTLSA-N 310.397 3.146 10 10 DGCE C[C@H](N[C@H]1C[C@@H](O)C12CCC2)c1cccc(C(F)(F)F)c1O 850547243 SHMIKZJNZNUJAD-TVYUQYBPSA-N 315.335 3.365 10 10 DGCE Nc1ccc(N[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)F)cc1 1896886129 LQRXYOGAOPRXSA-IAGOWNOFSA-N 317.383 3.446 10 10 DGCE OC1CCN(c2ccc(CNC[C@]34CCCC[C@@H]3C4)cc2)CC1 922428606 LCHTXFMJENLEBA-YLJYHZDGSA-N 314.473 3.318 10 10 DGCE C[C@@H](NC(=O)NCCc1ccc(N)cc1)C1CCC(F)CC1 851663501 AQWPOLUHOQHERW-LRVUVFPRSA-N 307.413 3.027 10 10 DGCE CC[C@H](N[C@@H]1Cc2ccccc2N(C)C1=O)c1ccccc1O 850502422 WCHIOVIJVMMJHY-JKSUJKDBSA-N 310.397 3.021 10 10 DGCE Cc1cc(N(C)C)cc(C)c1CC(=O)N1Cc2cccc(O)c2C1 871204051 BHLPSXLQPDQLTE-UHFFFAOYSA-N 324.424 3.160 10 10 DGCE C[C@@H](Cc1ccc(N)cc1)NC1CCN(Cc2ccccc2)CC1 71428816 AGVLQAACNCXANA-KRWDZBQOSA-N 323.484 3.454 10 10 DGCE COc1cccc(CN[C@@H](C)COCc2ccccc2)c1O 390575068 VTSAHVBUKHCSIQ-AWEZNQCLSA-N 301.386 3.096 10 10 DGCE CCNc1ccc(C)cc1C(=O)NCc1cccc(OC)c1O 896118488 XXADQXRFWDUBMW-UHFFFAOYSA-N 314.385 3.071 10 10 DGCE CC1(C)OCC[C@@H]1CNCc1c(O)cccc1Br 706883616 QTMBLDNYEOAYDE-SNVBAGLBSA-N 314.223 3.059 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1C[C@H]1Cc1ccccc1 1264009197 LPLREGPENZHPDH-DGEHHSODSA-N 323.392 3.106 10 10 DGCE C[C@@H](O)c1ccc(N(Cc2ccccc2)C(C)(C)CO)cc1O 1915628973 UWSLGIFCKWQTDJ-CQSZACIVSA-N 315.413 3.223 10 10 DGCE COC(=O)/C=C/c1ccc(N2CCC(C)(F)CC2)c([N+](=O)[O-])c1 1458512395 ANTFKXBRUQLMHA-GQCTYLIASA-N 322.336 3.109 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)c1cccc2c1CCC2 1469873723 FLPSMIBFGSIMPU-UHFFFAOYSA-N 301.773 3.464 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)C=C2CCCCC2)cc1 1538161358 WDOQSDWGLOVUDF-UHFFFAOYSA-N 316.445 3.480 10 10 DGCE CC[C@@H]1C[C@H]1C(=O)N[C@@H](C)CCNCc1ccc(OC)c(C)c1 1568679227 IUBWVUFBIXKUMG-USXIJHARSA-N 318.461 3.034 10 10 DGCE O=C(NCc1ccccc1O)NCC(F)(F)c1cccc(F)c1 1636747963 CLLKJISIVWFFSV-UHFFFAOYSA-N 324.302 3.123 10 10 DGCE CCC1CCC(NCc2ccc(N(C)C)cc2)(C(=O)OC)CC1 1644867014 IMGHCWSGWDWSAF-UHFFFAOYSA-N 318.461 3.354 10 10 DGCE Cc1ccc(O)c(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)c1 1640178811 XPWCPUMBYHQPSP-UHFFFAOYSA-N 313.357 3.495 10 10 DGCE O=C(NCc1cc(O)ccc1O)c1coc2ccc(Cl)cc12 1651225414 IQBBQRWJUCAZCN-UHFFFAOYSA-N 317.728 3.427 10 10 DGCE Cc1ccc(O)c(CNCCC(=O)Nc2ccccc2Cl)c1 1857853389 XELKMHKEZHOWSE-UHFFFAOYSA-N 318.804 3.472 10 10 DGCE [N-]=[N+]=N[C@@H]1CCN(C(=O)c2cc(Br)cs2)C1 1981387094 BTYICZIPXXMTAG-SSDOTTSWSA-N 301.169 3.035 10 10 DGCE C[C@@H]1N(Cc2ccc(Br)cc2O)CCC1(F)F 2004631718 CWOATNJSIUWAQU-QMMMGPOBSA-N 306.150 3.384 10 10 DGCE COc1cccc2cc(C=C3SC(=S)N(C)C3=O)oc12 2040496504 RTGYHARSJYLWFS-UHFFFAOYSA-N 305.380 3.272 10 10 DGCE C[C@H]1[C@@H](CN(C)c2ccc(CN)cc2Br)C1(F)F 2036077086 IVKUZCPYGSKSKT-WCBMZHEXSA-N 319.193 3.245 10 10 DGCE Nc1ccc(CCC(=O)c2ccc(Br)cn2)cc1 2039406046 XLGMJAOROJSNIJ-UHFFFAOYSA-N 305.175 3.242 10 10 DGCE CNCc1ccc(N2CC[C@@H](C(F)F)C2)cc1Br 707145777 HDIJKBYXSQRRCN-SNVBAGLBSA-N 319.193 3.260 10 10 DGCE NCc1cc(F)c(N2CC[C@@H]3CCC[C@@H]32)cc1Br 378708143 REKUVNOZYASYCT-ZANVPECISA-N 313.214 3.426 10 10 DGCE CO[C@@H]1CC[C@H]1N(C)c1ccc([C@@H](C)O)cc1Br 724149983 IELUDSJMKZLAPN-OWYVNGRQSA-N 314.223 3.116 10 10 DGCE CO[C@H]1CC[C@@H]1N(C)c1ccc([C@H](C)N)cc1Br 724221010 GFMXUIWQHVDEEC-HERUPUMHSA-N 313.239 3.082 10 10 DGCE CC(C)(C)c1nc(CC(=O)Nc2ccc(O)c(O)c2)cs1 2064748830 HLGWIOWOTPKEJV-UHFFFAOYSA-N 306.387 3.033 10 10 DGCE CSc1cnn(Cc2cccc(C)c2O)c1Br 2070247749 HBWDBOVJNGRPDM-UHFFFAOYSA-N 313.220 3.430 10 10 DGCE CC[C@H](N[C@@H](CF)COC)c1cc(Br)ccc1O 2053071802 SICVDGDSCHNUQV-JQWIXIFHSA-N 320.202 3.180 10 10 DGCE CC(C)NCc1ccc(N2CC[C@@H]2CF)c(Br)c1 2063224912 KASPDYBIZBONAO-GFCCVEGCSA-N 315.230 3.495 10 10 DGCE CC1=CCN(c2ccc(C=CC(=O)O)c(Br)c2)C1 2077062181 SNXMAEQZEMZPNN-UHFFFAOYSA-N 308.175 3.313 10 10 DGCE CCc1nnc(Sc2ncc(CNC3CCC3)s2)s1 2231634189 CEAOLAOWVPQRKP-UHFFFAOYSA-N 312.489 3.350 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)Cc1ccccc1Br 2225792606 OMHJBCQJYMXVKT-VXGBXAGGSA-N 323.194 3.339 10 10 DGCE Oc1c(Cl)cccc1CNC[C@H]1OCC[C@@H]1C(F)(F)F 2240537409 SVPTYFYEQAJFOP-GXSJLCMTSA-N 309.715 3.103 10 10 DGCE O=C1NC(=S)SC1=Cc1ccc(F)c(C(F)(F)F)c1 2303968845 FUJSRQOWBIGASB-UHFFFAOYSA-N 307.293 3.333 10 10 DGCE C[C@@H]1C[C@H](c2cccnc2)N(C(=O)C=Cc2ccc(O)c(O)c2)C1 2308699088 UEYZXSBWAZRAHW-CZUORRHYSA-N 324.380 3.116 10 10 DGCE CC[C@@H](N)c1cc(Br)cc(Br)c1O 60309428 LRAUEPFTVNBFOK-MRVPVSSYSA-N 309.001 3.327 10 10 DGCE O=C1/C(=C\c2ccc[nH]2)SC(=S)N1CCc1ccccc1 27231118 IDQLVHMXKPEELS-SDNWHVSQSA-N 314.435 3.459 10 10 DGCE C[C@@H]1CSC[C@@H]1NCc1cc(OC(F)(F)F)ccc1O 2361044686 CFIYUIVBPFRTQW-KCJUWKMLSA-N 307.337 3.132 10 10 DGCE CN[C@@H](C)c1ccc(N(C)Cc2snnc2C)c(Cl)c1 2361124256 HWBFNFLMTCWPNR-VIFPVBQESA-N 310.854 3.417 10 10 DGCE C[C@@H](Nc1ccccc1SCC(N)=O)c1ccccc1O 37071928 PLPAWNBLVXOGDB-LLVKDONJSA-N 302.399 3.143 10 10 DGCE CNCc1ccc(N(C)CCCSC)cc1Br 302364625 RBBOFIDFDGTXQO-UHFFFAOYSA-N 317.296 3.358 10 10 DGCE C[C@@H](N[C@H](C)c1nnc2n1CCCCC2)c1ccccc1O 315081758 AHPXWKGKRZDQAK-CHWSQXEVSA-N 300.406 3.122 10 10 DGCE COCC(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 40870148 XHMLXYFXDBNOPK-FQEVSTJZSA-N 321.376 3.397 10 10 DGCE CC(=O)Nc1cccc(C(=O)Nc2cccc(N3CCCC3)c2)c1 47192116 NHZNOFHSYOTQOM-UHFFFAOYSA-N 323.396 3.498 10 10 DGCE CC[C@@H]1CN([C@@H](C)c2cc(Br)ccc2O)CCO1 132010515 KRTHABMWZSUNHU-CMPLNLGQSA-N 314.223 3.327 10 10 DGCE C[C@H](NC1CC(NC(=O)OC(C)(C)C)C1)c1ccc(F)cc1O 227581221 PIWVVZORGCIOSK-PKSQDBQZSA-N 324.396 3.238 10 10 DGCE OCC[C@H](CNCc1cc(Cl)c(F)cc1O)c1ccccc1 293673387 QUFNVBANZTVAIM-CYBMUJFWSA-N 323.795 3.441 10 10 DGCE O=C(O)c1cc(Br)c(Sc2nccs2)o1 710288203 LXOYBPWZYRNWCU-UHFFFAOYSA-N 306.162 3.348 10 10 DGCE C[C@@H](NCC1(N)C2CC3CC(C2)CC1C3)c1cc(F)ccc1O 817984332 QOKNRUGBVUPFTQ-JIWOQCETSA-N 318.436 3.336 10 10 DGCE COc1cc(CN2C[C@@H](O)CC[C@H]2C)c(O)c(C(C)(C)C)c1 826131295 QTOOFZZAUSQVPW-OCCSQVGLSA-N 307.434 3.044 10 10 DGCE CN(C)c1ccc(CN(C(=O)NC2C[C@@H]3C[C@H]3C2)C2CC2)cc1 824860400 UHRDSFSVYYLDPZ-GJZGRUSLSA-N 313.445 3.225 10 10 DGCE Cc1ccc(O)c([C@@H](C)NC[C@]2(c3ccccc3)C[C@H](O)C2)c1 903271910 QCPZVKQALNHNMU-WRWLIDTKSA-N 311.425 3.444 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCC(n3ccnc3)CC2)cc1 835027313 LIRIRFGWZOYKDB-ARJAWSKDSA-N 310.445 3.299 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NCc1cnc(Cl)n1C 848555661 CORDAKWDFHFVMR-ZDUSSCGKSA-N 320.868 3.169 10 10 DGCE O=C(NCc1cc(Cl)cc(Cl)c1O)C1(C(F)F)CC1 843889587 OUFWOVMZNOSVBO-UHFFFAOYSA-N 310.127 3.361 10 10 DGCE Cc1ccc([C@@H](C)N[C@H]2CCCc3c2ccc(=O)n3C)c(O)c1 846216015 OVLCCZFHZOVROP-CJNGLKHVSA-N 312.413 3.128 10 10 DGCE COC(=O)/C(C)=C\CN(Cc1ccccc1O)C1CCCC1 748818215 SDKPZNBJUDEAKC-KAMYIIQDSA-N 303.402 3.256 10 10 DGCE C[C@@H](N[C@H]1C[C@@](CO)(c2ccccc2)C1)c1ccc(N(C)C)cc1 927152027 IUJPVFRZOYLAEU-BSIFCXSSSA-N 324.468 3.496 10 10 DGCE CC[C@@H](N[C@@H]1CC=C(C(=O)OC)C1)c1cccc(Cl)c1O 858471146 BMZVUXAIWIOJML-BXUZGUMPSA-N 309.793 3.348 10 10 DGCE C[C@@H](N[C@@H]1CNCC[C@@H]1c1ccccc1)c1cc(F)ccc1O 854221901 BPUNCWHWGXFHRG-MZMPZRCHSA-N 314.404 3.328 10 10 DGCE CC[C@@H](COCC1CC1)N[C@@H](C)c1cc(C(=O)OC)ccc1O 850494622 RDLCDGKDFTWRRA-WFASDCNBSA-N 321.417 3.035 10 10 DGCE OC[C@]1(c2ccccc2)C[C@@H](NCc2ccc3c(c2)CCCO3)C1 923006346 FWYCWTNJGGVSMK-TYKWCNGQSA-N 323.436 3.194 10 10 DGCE Cc1ccc(O)c(CNC(=O)NCC[C@@H]2CC2(Cl)Cl)c1 858629730 XRSULWSAYGCYRY-LLVKDONJSA-N 317.216 3.084 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@@H](C)c3cnc(C)s3)C2)cc1 850487627 IQGMITYWVDROKZ-GXTWGEPZSA-N 317.458 3.390 10 10 DGCE Oc1ccc(-c2ccccc2)cc1CN[C@H]1C[C@H](O)C12CCC2 850388279 KQSZXONWBVNWOT-OALUTQOASA-N 309.409 3.452 10 10 DGCE Cn1cc(C[C@@H]2CCC[C@H]2N[C@@H]2CCc3cccc(O)c32)cn1 850541291 UVXFYSGSGHELJR-GVDBMIGSSA-N 311.429 3.114 10 10 DGCE CCCN[C@@](C)(CCCCSc1nccs1)C(=O)O 45596400 HYYSSCNIPIGUSY-ZDUSSCGKSA-N 302.465 3.248 10 10 DGCE Nc1ccc(C[C@H](O)Cc2ccc(Br)cc2F)cc1 696516538 YIFZZDKPTOYIHM-AWEZNQCLSA-N 324.193 3.317 10 10 DGCE O=[N+]([O-])c1cc(F)cnc1NCc1ccc(N2CCCC2)cc1 865442357 HUQHLTJNWVYLTQ-UHFFFAOYSA-N 316.336 3.341 10 10 DGCE CO[C@@H](CCN[C@H](C)c1ccc(N(C)C)cc1)C(F)(F)F 786953861 NPYOILYRWTZALZ-RISCZKNCSA-N 304.356 3.371 10 10 DGCE COc1cc(Cl)cc(CN2CC[C@H]([C@H]3CCCO3)C2)c1O 895843816 CRULTQHQPLETIY-SMDDNHRTSA-N 311.809 3.055 10 10 DGCE Cc1ccc(C(=O)NCc2cccc3ccccc23)c(O)c1O 1144751994 CLWABKWYFPEQOT-UHFFFAOYSA-N 307.349 3.489 10 10 DGCE C[C@H](O)c1ccc(N2CCC(F)CC2)cc1Br 689405473 MHXWHXCGDQIHTC-VIFPVBQESA-N 302.187 3.441 10 10 DGCE CCC[C@@H]1C[C@H]1C(=O)NC[C@H](C)NCc1ccc(OC)c(C)c1 1317263372 CFNVMDHXVJXLKF-USXIJHARSA-N 318.461 3.034 10 10 DGCE COc1ccc(N(C)CCN(C)C[C@@H](O)CC2CCCC2)cc1 1171730413 TUJMYZMTXVDGRT-SFHVURJKSA-N 320.477 3.004 10 10 DGCE Cc1ccc(CN[C@H]2CCN(Cc3ccccc3)[C@H]2C)c(O)c1 1659952184 LAZMITWHJACKPF-LPHOPBHVSA-N 310.441 3.453 10 10 DGCE CC1(C)CN(c2ccc(C=CC(=O)O)c(Br)c2)C1 1911927332 MHYPCYSOJQIQPR-UHFFFAOYSA-N 310.191 3.393 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)C3C(C)(C)C3(C)C)C2)cc1 1617262460 HWFDWAZJPOTKEH-ZDUSSCGKSA-N 316.445 3.072 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)[C@H]1Cc2ccccc2S1 1557385892 LVQBPRDYECVOND-OAHLLOKOSA-N 319.813 3.379 10 10 DGCE C[C@@H](NC(=O)c1ccc2nc(S)oc2c1)c1ccccc1O 1632246146 CBNJYIUKKJIXMR-SECBINFHSA-N 314.366 3.313 10 10 DGCE COc1ccc(CNC[C@@H](NC(C)=O)C2CCCCC2)cc1C 1568340506 RDZPERMKCPDTDX-GOSISDBHSA-N 318.461 3.178 10 10 DGCE Cc1ccc(C(=O)NC[C@@H]2C[C@@H]2Cc2ccccc2)c(O)c1O 1648797932 KWMUCMTUTDUORY-GJZGRUSLSA-N 311.381 3.015 10 10 DGCE Cc1cccc(CNCCc2ccncc2Br)c1O 1927139259 VNPIHCVTNORQKD-UHFFFAOYSA-N 321.218 3.190 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1C[C@H]2Nc1ccccc1N 1959360669 DTPSBJZBZBVYDU-DFBGVHRSSA-N 303.406 3.079 10 10 DGCE CC[C@H](C)Oc1cccc(NC(=O)c2c(F)ccc(O)c2O)n1 1654780223 VVULVPMRXFNREG-VIFPVBQESA-N 320.320 3.062 10 10 DGCE CSc1ccc(C)c(C(=O)NCc2c(O)cccc2O)c1 1652623241 QRVXVONJDWZSKX-UHFFFAOYSA-N 303.383 3.058 10 10 DGCE CCOc1ccc(NC(=O)[C@H](C)Oc2ccc(N)cc2)cc1 31896473 HULGHSIUNFAHOP-LBPRGKRZSA-N 300.358 3.074 10 10 DGCE Oc1cccc2c1[C@@H](NCc1nccn1Cc1ccccc1)CC2 1942379662 BFHMOKGNDCFABP-KRWDZBQOSA-N 319.408 3.414 10 10 DGCE C[C@@H](NCc1cccc(O)c1O)c1cnn(Cc2ccccc2)c1 1942381107 GMQQPVAWSJOPCR-CQSZACIVSA-N 323.396 3.193 10 10 DGCE C[C@H]1CN(CCCN=[N+]=[N-])C[C@H](C)N(C(=O)OC(C)(C)C)C1 1962305690 URKDHRQCFPPILZ-STQMWFEESA-N 311.430 3.264 10 10 DGCE COc1ccc(N(CCCN)Cc2scnc2Cl)cc1 2143797745 RRBAMKWCIFVIIB-UHFFFAOYSA-N 311.838 3.161 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)C2CC(OCc3ccccc3)C2)C1 1976704320 NVQUYXIDYIQIPV-HWOWSKLDSA-N 314.389 3.283 10 10 DGCE CC(C)(C)OC(=O)NCc1cccc(Nc2ccc(N)cn2)c1 1977691904 XAVPOCTUZRZFIW-UHFFFAOYSA-N 314.389 3.432 10 10 DGCE C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H](O)c1ccc(N(C)C)cc1 1977957433 FJHWZSDNXYYQLP-CZUORRHYSA-N 322.449 3.337 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@@]1(N)c1ccccc1O 1988844368 VVJNVYZWQPJHOS-ACJLOTCBSA-N 320.433 3.213 10 10 DGCE C[C@H](CNCc1cccc(Br)c1O)[C@H]1CCCO1 720520240 BQPGTVMORFJWGC-ZWNOBZJWSA-N 314.223 3.059 10 10 DGCE Nc1ccc(CC(=O)NCc2c(Cl)cccc2Cl)cc1 696879609 VWEFYMMIQSZECX-UHFFFAOYSA-N 309.196 3.435 10 10 DGCE CO[C@@H]1CCN(c2cc(Cl)c(CN)cc2F)[C@@H]1C(C)C 2182431692 KEJXGGRTKRNBIW-HUUCEWRRSA-N 300.805 3.188 10 10 DGCE Cc1cccc(O)c1Cn1nc(C2CCCC2)cc1C(=O)O 2069925961 BCGJOBMFBGYQRB-UHFFFAOYSA-N 300.358 3.301 10 10 DGCE CC(C)O[C@H]1CCCN(c2cc(Cl)c(CN)cc2F)C1 2177380511 FNGNNYHJZLTZAE-LBPRGKRZSA-N 300.805 3.332 10 10 DGCE CN(C[C@@H]1C(F)(F)C12CC2)c1cc(Cl)c(CN)cc1F 2177386089 VTPNTXAUJZAVDV-LBPRGKRZSA-N 304.743 3.419 10 10 DGCE Cc1cc(O)c([C@H](C(C)C)n2nc(C)c(C=O)c2N)cc1C 2079936803 SIQDBDJFLCYVJD-INIZCTEOSA-N 301.390 3.154 10 10 DGCE Cc1cc(CO)ccc1N(C)[C@H]1CS[C@@H](C(F)(F)F)C1 2189474517 QJIXNWVMOHBBQO-DGCLKSJQSA-N 305.365 3.360 10 10 DGCE CN1CC[C@@H](Nc2c(N)cccc2Br)C(C)(C)C1 2044527731 HQVDIPDPJHUVFX-GFCCVEGCSA-N 312.255 3.174 10 10 DGCE Oc1c(F)cc(Br)cc1CN[C@H]1C[C@H]2C=C[C@H]1C2 2058414191 ZBRMQVOKAWFJFM-RVBZMBCESA-N 312.182 3.348 10 10 DGCE CN(CC1(CCF)CC1)c1ccc(CN)c(Br)c1 2074651705 RNGXHFHLLGRAOL-UHFFFAOYSA-N 315.230 3.484 10 10 DGCE Cc1c(Br)csc1[C@@H](NN)c1ccccc1O 2213769469 USHKDXRRBVPGSI-NSHDSACASA-N 313.220 3.077 10 10 DGCE OC[C@](CSc1nccs1)(NC1CC1)C1CCCCC1 2208121295 DEJSCGSVOVSVSU-OAHLLOKOSA-N 312.504 3.299 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NC(=O)Cc1ccccc1Br 2225792604 OMHJBCQJYMXVKT-NWDGAFQWSA-N 323.194 3.339 10 10 DGCE Cc1cc(N2CC(SC(F)(F)F)C2)ccc1C[C@@H](C)N 2237487585 KJZLIQVNZRCOHT-SNVBAGLBSA-N 304.381 3.326 10 10 DGCE Oc1cc(Cl)ccc1CNC[C@H]1OCC[C@@H]1C(F)(F)F 2240544187 QCKDGPZKWYIGRI-CMPLNLGQSA-N 309.715 3.103 10 10 DGCE CSc1ncc(CNCc2nc(C(C)(C)C)ns2)s1 2269188386 OSYFOCDQMUDVAW-UHFFFAOYSA-N 314.505 3.304 10 10 DGCE CCCN[C@@H]1CCN(Cc2cnc(SC)s2)[C@H](C)[C@@H]1C 2284698107 WKIUXUUECXPHQC-OUCADQQQSA-N 313.536 3.464 10 10 DGCE Cc1cccnc1N(C)C(=O)/C=C\c1cnc2ccccc2n1 491956220 ATCTTYDXWFXWPL-KTKRTIGZSA-N 304.353 3.009 10 10 DGCE C[C@@H]1CN(C(=O)C=Cc2ccc(O)c(O)c2)[C@H]1c1ccccc1 2307987957 VICGHQFUCQZQKK-BFUOFWGJSA-N 309.365 3.331 10 10 DGCE CCC1(F)CN(Cc2ccc(C)c(Br)c2O)C1 2307469016 CPOZLDCFBMRHJK-UHFFFAOYSA-N 302.187 3.397 10 10 DGCE COc1ccc(C2=NN(CC(C)C)C(=O)C2=Cc2ccc[nH]2)cc1 2332143154 GLOZQZBRQNCCCJ-UHFFFAOYSA-N 323.396 3.309 10 10 DGCE O=[N+]([O-])c1ccc(Cl)c(NC(=S)NCc2ccccn2)c1 7526132 BMVMTROMOZEYRO-UHFFFAOYSA-N 322.777 3.130 10 10 DGCE CN1C=CC=C/C1=C1\SC(=S)N(c2ccc(F)cc2)C1=O 102149400 XVWPJAMRWCEYAN-OUKQBFOZSA-N 318.398 3.417 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N(C)C[C@@H]2CCCO2)cc1 170691894 OGANCBGJBNSGTB-SFHVURJKSA-N 312.413 3.345 10 10 DGCE COc1ccc(NC(=O)Nc2cc(O)c(O)c(O)c2)cc1Cl 217278635 KEOVOYDJXGCAFX-UHFFFAOYSA-N 324.720 3.109 10 10 DGCE CC(C)c1nc2n(n1)CCC[C@@H]2N[C@H](C)c1cc(F)ccc1O 185685078 XGOYGJCEVKYLHE-RISCZKNCSA-N 318.396 3.432 10 10 DGCE COc1ccc2c(c1)CCN2Cc1c(Cl)nc(Cl)n1C 127688176 VTCHHNATYCXSNN-UHFFFAOYSA-N 312.200 3.298 10 10 DGCE Cc1ccc(O)c([C@H](C)N[C@H](C)c2nnc3n2CCCC3)c1 185585411 JESOZJBJQTTXDF-QWHCGFSZSA-N 300.406 3.040 10 10 DGCE CC(C)[C@H]1CN(c2ccc(OC(F)(F)F)cc2)[C@H](C)CN1 86151592 BXOMLGRXNOUEGD-BXUZGUMPSA-N 302.340 3.408 10 10 DGCE CC(C)N(CCCO)c1ccc([C@H](C)N)c(Br)c1 232669515 FGBDPJUYOXMKRF-NSHDSACASA-N 315.255 3.066 10 10 DGCE CC[C@@H]1OCC[C@@H]1CNCc1cccc(Br)c1O 233915967 ROMZVYUEMZEFAN-MFKMUULPSA-N 314.223 3.059 10 10 DGCE N[C@H](c1c(Cl)ccc(Br)c1O)C(F)(F)F 95706357 FVDOYORPLIYFDJ-SSDOTTSWSA-N 304.493 3.370 10 10 DGCE C[C@H](NC[C@]1(C)COc2ccccc2O1)c1cc(F)ccc1O 527929082 GBFGNFZAGPCOGQ-KPZWWZAWSA-N 317.360 3.412 10 10 DGCE CN(C(=O)COc1ccc(N2CCCCC2)c(Cl)c1)C1CC1 817382703 XQJSRUWQKBHWNI-UHFFFAOYSA-N 322.836 3.330 10 10 DGCE NCCN(Cc1cc(Cl)cc(Cl)c1O)C1CCCC1 2130094687 UEXLZMXRZKWTMM-UHFFFAOYSA-N 303.233 3.402 10 10 DGCE CN(C)c1ccc(CN[C@@H](CO)C2CCC2)c(C(F)(F)F)c1 826868056 PBSKJSMTZRAYNG-HNNXBMFYSA-N 316.367 3.022 10 10 DGCE CC(C)(C)[C@@H](N)c1cc([N+](=O)[O-])cc(Br)c1O 725398954 NKVIWLJVECQWIE-JTQLQIEISA-N 303.156 3.109 10 10 DGCE CC[C@@H]1CCC[C@]1(C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 907276182 ZTBKCDCYMNZBFK-WRSAYESZSA-N 305.418 3.361 10 10 DGCE C[C@H]1CCCCCN1C(=O)NCc1ccc(N(C)C)c(F)c1 734066911 GXLNFPUJYZFPON-ZDUSSCGKSA-N 307.413 3.366 10 10 DGCE CN(C)c1ccc(/C=C/CNCCc2cn3ccccc3n2)cc1 835043068 OXWQSZJCUSHZJK-AATRIKPKSA-N 320.440 3.246 10 10 DGCE CCN(CC)c1ccc(CN2CC[C@H](C)[C@H](C(=O)O)C2)cc1F 843039096 ATXYSPZSEVJODN-DZGCQCFKSA-N 322.424 3.215 10 10 DGCE C[C@H](N[C@H](C)[C@@](C)(O)c1ccccc1)c1cc(F)ccc1O 846186538 GXHFRWCPCPPBRF-VEVIJQCQSA-N 303.377 3.478 10 10 DGCE Cc1ccc(O)c([C@@H](C)N[C@H]2C[C@@](CN)(c3ccccc3)C2)c1 925886905 MPZDNHQSXJNLAM-MDYRTPRTSA-N 310.441 3.410 10 10 DGCE CCc1cc(CN(C)CC2CN(C)C2)c(O)c(C(C)(C)C)c1 853555271 IHUNHXFMSSAAEZ-UHFFFAOYSA-N 304.478 3.246 10 10 DGCE CC(C)[C@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 755173563 AKMCOUPHJIFTJW-KRWDZBQOSA-N 313.445 3.250 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC2CCC1CC2 769180958 VUFJFMQRTSCYBR-PVARCSIZSA-N 315.461 3.473 10 10 DGCE Cn1c(NCCCSc2nccs2)nc2cnccc21 865536600 DUWQVHYMKVSPRK-UHFFFAOYSA-N 305.432 3.019 10 10 DGCE C[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)c1ccncc1 865031319 LTYDSBWNHUCJAR-INIZCTEOSA-N 323.440 3.492 10 10 DGCE Cc1ccccc1CC1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 779527378 KUNYNQPOVICPCX-VQHVLOKHSA-N 323.392 3.121 10 10 DGCE CN(C)c1ccc([C@]2(C)[C@@H](N)CCN2Cc2ccccc2)cc1 712040317 LXXIFXQLACTXDM-VQTJNVASSA-N 309.457 3.201 10 10 DGCE Cc1[nH]c2ccc(CNC(=O)c3cccc(O)c3O)cc2c1C 790571183 ITOXXOMJERTRLH-UHFFFAOYSA-N 310.353 3.126 10 10 DGCE C[C@H]1CN(c2ccc(CN)cc2Cl)C[C@](C)(C(F)F)O1 698781718 PCVOAHFDIODKLI-LKFCYVNXSA-N 304.768 3.048 10 10 DGCE NCc1cc(F)c(N2CCS[C@H]3CCC[C@H]32)cc1Cl 2120882113 TVMPGFNDAXXBJF-OCCSQVGLSA-N 300.830 3.412 10 10 DGCE Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCCOC1CCOCC1 1340134614 WWSAYRJYFZXSAD-UKRRQHHQSA-N 305.418 3.034 10 10 DGCE Cc1nc(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)co1 1438301462 LEWXOFDWJIHMRG-UHFFFAOYSA-N 309.369 3.321 10 10 DGCE CCCOc1cc(N(Cc2ccccc2)C[C@@H](C)O)ccc1N 1914655129 NVKLHYPSVJYGAO-OAHLLOKOSA-N 314.429 3.445 10 10 DGCE COCCCNCc1ccc(N2CCCC2)c(OC(C)C)c1 212111406 DVFPZJGAXZCJOQ-UHFFFAOYSA-N 306.450 3.200 10 10 DGCE Nc1ccc(NC(=O)[C@H]2CCc3[nH]c4ccccc4c3C2)cc1 212486527 TUYGWIIAPFWZEO-LBPRGKRZSA-N 305.381 3.494 10 10 DGCE Cc1c([C@H](CN)NC(=O)OC(C)(C)C)c2ccccc2n1C 1536009813 NUEHFDYTNWFXSC-ZDUSSCGKSA-N 303.406 3.011 10 10 DGCE CC(C)[C@H]1CCC[C@@H](NC(=O)Cc2ccc(O)c(O)c2)CC1 1634581798 FKVPHUSFJSOLHP-LSDHHAIUSA-N 305.418 3.361 10 10 DGCE O=C(NCc1cc(O)ccc1O)c1ccc(Cl)cc1Cl 1651223188 YSGUAQJNIFESJQ-UHFFFAOYSA-N 312.152 3.335 10 10 DGCE CCC(CC)c1cc(C(=O)NCCc2ccc(N)cc2)on1 152490245 YMNIMNFHXRHWEX-UHFFFAOYSA-N 301.390 3.133 10 10 DGCE C[C@H]1CN(CCCN=[N+]=[N-])C[C@@]1(C)CNC(=O)OC(C)(C)C 1962304975 PYWVJKYRCGLLHH-SWLSCSKDSA-N 311.430 3.170 10 10 DGCE C[C@H]1C[C@H](NCc2ccc3c(c2)CCO3)CN1Cc1ccccc1 237718512 NDHZPSXQJVBARO-JXFKEZNVSA-N 322.452 3.374 10 10 DGCE CN(CC[C@H]1CCCO1)Cc1ccc(Br)cc1O 1972183942 LSMLUFXZKDJQAR-CYBMUJFWSA-N 314.223 3.156 10 10 DGCE COc1cccc(O)c1CNC[C@H](C)N(C)Cc1ccccc1 1976859380 WDHCLKDKCORLOT-HNNXBMFYSA-N 314.429 3.011 10 10 DGCE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1Nc1c(N)cccc1F 1977690788 WHZFQWJKYPFVAU-SMDDNHRTSA-N 323.412 3.465 10 10 DGCE CCN(C[C@H](C)NC(=O)OC(C)(C)C)c1ccc(OC)cc1N 1977961989 QBDUAVKGYAVVLL-LBPRGKRZSA-N 323.437 3.017 10 10 DGCE CCCOc1cc(N(C)CCNC(=O)OC(C)(C)C)ccc1N 1977943776 WNWSGAWKCMJQTN-UHFFFAOYSA-N 323.437 3.019 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN(Cc2csc(Br)n2)C1 2004968680 BFRHEWDZDNYPEH-MRVPVSSYSA-N 316.228 3.428 10 10 DGCE C[C@H]1CC[C@H]1N(C)c1ccc(CN)c(Br)c1F 1998768831 BMXHPRITDTULPG-WCBMZHEXSA-N 301.203 3.282 10 10 DGCE C[C@@H](N)c1ccc(N(C)C[C@@H]2C[C@H]2F)cc1Br 2014704121 CSAAUTQFAMJFPP-VYUIOLGVSA-N 301.203 3.263 10 10 DGCE CCNCc1ccc(N(CC)CCF)cc1Br 2012678972 BZCJXUFIYWJNMW-UHFFFAOYSA-N 303.219 3.354 10 10 DGCE CN(C)c1ccc([C@@H](O)c2cc(C(F)(F)F)ns2)cc1 2155017958 ZBGVDHXZYLIXSP-GFCCVEGCSA-N 302.321 3.310 10 10 DGCE CO[C@H]1C[C@@H](N(C)c2ccc([C@@H](C)O)cc2Br)C1 2038807400 PKGFQKPDCZUQPS-JLLWLGSASA-N 314.223 3.116 10 10 DGCE CCOC(=O)[C@@](C)(C[C@@H](C)Sc1nccs1)NC(C)C 68639627 RODZCOJUWSUWHM-BXUZGUMPSA-N 316.492 3.334 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@H]1CCc2nccn2C1 362897611 UCYCFEQDXIGLSN-NSHDSACASA-N 312.200 3.000 10 10 DGCE CCOC[C@H](C)NCc1cc(Cl)cc(Br)c1O 708098297 HFGIUPSGLGWXEN-QMMMGPOBSA-N 322.630 3.323 10 10 DGCE C[C@@H]1CCN(Cc2ccc(Br)cc2O)C[C@@H](C)O1 691680583 MMITXDZFWDSDAV-GHMZBOCLSA-N 314.223 3.154 10 10 DGCE COc1ccc(Cn2nc(C3(C)CC3)c(C(F)F)c2N)c(O)c1 2079720303 KMHGRGKWGGGMBF-UHFFFAOYSA-N 323.343 3.217 10 10 DGCE OCC12CCC(NCc3cc(Cl)cc(Cl)c3O)(CC1)C2 2189324677 HLBMRWAILYMWFD-UHFFFAOYSA-N 316.228 3.484 10 10 DGCE CO[C@H](C)CCN(C)c1ccc([C@@H](C)O)c(Br)c1 2059359413 MLZWGVYBEBRAAY-GHMZBOCLSA-N 316.239 3.364 10 10 DGCE CCN(C(=O)/C=C/c1cnn(-c2ccccc2)c1)c1ccncc1 114101847 WMKQLRQBJPOWNN-CMDGGOBGSA-N 318.380 3.334 10 10 DGCE COc1ccc(Br)c(CNc2cccnc2C)c1O 2227748584 OZRHTTIQUNCKAU-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE CN[C@@H](C)c1ccc(N2CCSCC(F)(F)C2)cc1C 2285135009 SININAKPLQPMRW-LBPRGKRZSA-N 300.418 3.464 10 10 DGCE Cc1ccc(CN2CCC(F)CC2)c(O)c1Br 2307570606 PDWRSHKCDSUOEB-UHFFFAOYSA-N 302.187 3.397 10 10 DGCE CCOC(=O)C1CCN(N=Nc2ccc(OCC)cc2)CC1 2330164852 LMPDPOFPPGGUBQ-UHFFFAOYSA-N 305.378 3.359 10 10 DGCE CC(=O)C[C@@H](C)N(C)Cc1ccc(C)c(Br)c1O 2327611332 BSDNAEUFANEDEK-SNVBAGLBSA-N 314.223 3.263 10 10 DGCE COC(=O)c1ccc(CN[C@H](C)c2ccccc2O)cc1OC 179889555 SCKFEHMIYKPMTK-GFCCVEGCSA-N 315.369 3.038 10 10 DGCE CN(C)c1ccc(CNC(=O)N2C[C@H]3CCCC[C@@H]3C2)cc1 176398763 WHUZDXDYNDJOQV-HZPDHXFCSA-N 301.434 3.084 10 10 DGCE C[C@@H](N[C@H](C)c1ccccc1O)c1cn(-c2ccccc2)nn1 179896115 QXANHHVYILGFLB-ZIAGYGMSSA-N 308.385 3.385 10 10 DGCE Cc1cc2cccc(N)c2n1C(=O)[C@H](C)Cc1ccc(O)c(O)c1 170026906 GWBLMACKDZLMGA-LLVKDONJSA-N 324.380 3.462 10 10 DGCE Cc1cc(/C=C/C(=O)N2CC[C@@](C)(O)C2)c(C)n1-c1ccccc1 176066603 QUUSXYPGLVGNKB-SQUSKLHYSA-N 324.424 3.091 10 10 DGCE CC(C)c1ccc(S(=O)(=O)CCc2ccc(N)cc2)cc1 35677498 RACAXDNCKGGMNO-UHFFFAOYSA-N 303.427 3.409 10 10 DGCE Cc1nc(CNC(=O)c2cc(C)n(-c3ccccc3C)c2C)no1 124493848 BCHDHJVHECCZOU-UHFFFAOYSA-N 324.384 3.024 10 10 DGCE Cc1cnn([C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 123024968 HVSNAUDMNOTSCM-HNNXBMFYSA-N 305.809 3.388 10 10 DGCE CO[C@@H]1CCCN(c2ccc([C@H](C)N)cc2Br)C1 230262495 BNZJRDZBEHPPNM-CMPLNLGQSA-N 313.239 3.084 10 10 DGCE COc1ccc(CCNCc2c(O)cc(C)cc2Cl)cn1 527794672 CILWHYJUZJYCSF-UHFFFAOYSA-N 306.793 3.090 10 10 DGCE O=C(NCCCSc1nccs1)N[C@@H]1CCCC1(F)F 806959045 PVCVGCBVHTVXQK-SECBINFHSA-N 321.418 3.112 10 10 DGCE C[C@H](N)c1ccc(N(C)Cc2ncc(Cl)n2C)cc1Cl 2166108839 LGWGJCARSICMOU-VIFPVBQESA-N 313.232 3.383 10 10 DGCE O=C(/C=C/[C@@H]1CCCO1)NCc1cc(Cl)cc(Cl)c1O 819533424 JFZYKXFJEOAHCY-UFFNRZRYSA-N 316.184 3.050 10 10 DGCE C[C@H](O)[C@@H](NCc1cc(Cl)cc(F)c1O)c1ccccc1 827855695 GRZSBBRLCHGOTH-ZUZCIYMTSA-N 309.768 3.396 10 10 DGCE Cc1cnc(CNC(=O)Cc2cc(C)n(-c3ccccc3)c2C)o1 829388305 LRJAUOPEUNBDLX-UHFFFAOYSA-N 323.396 3.249 10 10 DGCE C[C@H]1CSc2ccccc2N(C(=O)/C=C\c2cnccn2)C1 492215241 SFOVKNCKHKMQAU-FMFIFOJESA-N 311.410 3.265 10 10 DGCE Oc1ccccc1CN(CCC[C@@H]1CCOC1)C[C@@H]1CCCO1 828062134 BYIDBXQDPYGAFE-AEFFLSMTSA-N 319.445 3.190 10 10 DGCE C[C@@H]1CNC[C@H]1CCNCc1cc(Cl)cc(Cl)c1O 903973916 IZCKZVHYHRYENU-NXEZZACHSA-N 303.233 3.034 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCC[C@H]2CN2CCCC2)cc1 835027922 OIUXEHFGWKKCJG-CYXJOQHWSA-N 313.489 3.326 10 10 DGCE COc1ccc(CN[C@@H](C(C)C)C2(CO)CC=CC2)cc1C 843433329 XXJFTDFZTAFKGX-SFHVURJKSA-N 303.446 3.447 10 10 DGCE CC(F)(F)CCCNC(=O)NCc1cc(Cl)ccc1O 845225115 TUFKJXCMELXKIW-UHFFFAOYSA-N 306.740 3.280 10 10 DGCE C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1cn2c(n1)CCCC2 924863463 YATSZWRFRFWPFK-CYBMUJFWSA-N 316.424 3.275 10 10 DGCE C[C@H](N[C@@H]1CCC[C@H]1Cc1cnn(C)c1)c1ccc(F)cc1O 850540057 HVWXUHKFVNJQMK-RVSPLBMKSA-N 317.408 3.327 10 10 DGCE C[C@H](NC(=O)N[C@H]1CCCc2cccnc21)c1ccccc1O 927397436 RORCHXWGMXAIDT-WFASDCNBSA-N 311.385 3.225 10 10 DGCE CC(C)(C)c1ncsc1C(=O)NCc1c(O)cccc1F 928705799 MYRXHNVWMCDEFM-UHFFFAOYSA-N 308.378 3.215 10 10 DGCE CC(NCc1ccc(N2CCOCC2)cc1)(C1CC1)C1CC1 850397240 DYSVBZCRMGJTLM-UHFFFAOYSA-N 300.446 3.192 10 10 DGCE CCC[C@H](C)[C@H](CO)NCc1c(O)cccc1Br 858184610 NJFDZCIVKOMGNK-GWCFXTLKSA-N 316.239 3.041 10 10 DGCE Nc1ccc(N[C@@H]2CN(Cc3ccccc3)[C@]3(CCOC3)C2)cc1 1948886636 KVRNTIGPPKCJIK-VQTJNVASSA-N 323.440 3.114 10 10 DGCE C/C(=C\c1ccncc1)C(=O)Nc1c(Cl)ccc2nonc12 1128704794 YSZARLXRTPJTKE-CMDGGOBGSA-N 314.732 3.313 10 10 DGCE OCC1(CNCc2c(O)ccc(Cl)c2F)CC2(CCC2)C1 788530341 YKDPJYAXIORBMZ-UHFFFAOYSA-N 313.800 3.217 10 10 DGCE CN(C)c1cc(F)c(CNCc2cnc(Cl)s2)cc1F 895150750 CQYISEBFFQMLCX-UHFFFAOYSA-N 317.792 3.431 10 10 DGCE CCSC[C@@H](C)NCc1c(O)cccc1Br 706872070 FRYXRYCZFXPINB-SECBINFHSA-N 304.253 3.386 10 10 DGCE c1cn(-c2csc(CNCc3ccc4c(c3)CCO4)c2)cn1 1308236070 USJKPKUZDJJOQG-UHFFFAOYSA-N 311.410 3.159 10 10 DGCE CC[C@H](Nc1ccccc1)C(=O)NCc1c(O)cccc1F 1184348700 RCPZAKVKJZWOKG-HNNXBMFYSA-N 302.349 3.038 10 10 DGCE [N-]=[N+]=NC1CN(C(=O)c2cc(Br)ccc2Cl)C1 1912179769 UJBDLONWDBNARE-UHFFFAOYSA-N 315.558 3.237 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNCC[C@H]1CCC[C@@H]1O 1913730498 BPZFUEJJNKOWMJ-RNCFNFMXSA-N 304.217 3.340 10 10 DGCE NCc1ccc(N2CC[C@H]2C(F)(F)F)cc1Br 1916194548 KWTKMCWGDOETIY-JTQLQIEISA-N 309.129 3.049 10 10 DGCE CO[C@H]1CCN(c2ccc([C@H](C)O)c(Br)c2)[C@@H]1C 1914235119 AJWRBXMMGXUCMP-BFVZDQMLSA-N 314.223 3.116 10 10 DGCE Cc1nnc(N(C)Cc2ccccc2O)n1CC1CC(C)(C)C1 1511779221 OQXICPGDKICWOO-UHFFFAOYSA-N 314.433 3.365 10 10 DGCE Cc1ccc(C(=O)N2CC([C@H]3CCC[C@@H](C)C3)C2)c(O)c1O 1455012254 YONIHULFEWGVLE-YPMHNXCESA-N 303.402 3.305 10 10 DGCE COc1ccc2c(c1)CCCCN2CCc1ccc(C(N)=O)cc1 1459776997 DCNCUYTWGJJOKG-UHFFFAOYSA-N 324.424 3.180 10 10 DGCE Cc1c(CNC(=O)Cc2ccc(O)c(O)c2)oc2ccccc12 1543524981 IMUOTAJLJLQZCS-UHFFFAOYSA-N 311.337 3.011 10 10 DGCE CCO/C(C)=C1\SC(=S)N(c2ccc(OC)cc2)C1=O 1616048786 PFPRVRYBEIHVAV-XFXZXTDPSA-N 309.412 3.328 10 10 DGCE CN(C)c1ccc(CNC(=O)OCc2ccccc2)cc1F 1923947132 RWOXCRCGQCLGKD-UHFFFAOYSA-N 302.349 3.318 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)CCN(C)C 1625240286 LAIJRUKJMCWPNE-INIZCTEOSA-N 319.493 3.077 10 10 DGCE COc1ccc(SCC(=O)N[C@@H](C)c2ccccc2O)cc1 1642827765 QOXCZWOTOVBHJT-LBPRGKRZSA-N 317.410 3.370 10 10 DGCE Cc1cc(CC(=O)NOCC(C)C)c(C)n1-c1ccccc1 1648676237 JFGOTFOJQLWBMZ-UHFFFAOYSA-N 300.402 3.340 10 10 DGCE CCN(Cc1cc(Cl)cc(Cl)c1O)[C@H](C)CN(C)C 232270731 GGMXWVAIXDFHAJ-SNVBAGLBSA-N 305.249 3.471 10 10 DGCE COc1cccc(CNC(=O)NC[C@@H]2CCC=CCCC2)c1O 1676704151 BVNPTXMFSHLPBG-CQSZACIVSA-N 318.417 3.337 10 10 DGCE CCN[C@@H](c1ccccc1O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 1936987151 PMOVARUPSGZNNR-XJKSGUPXSA-N 320.433 3.300 10 10 DGCE CC1(C)CC(NC(=O)OC(C)(C)C)([C@@H](N)c2ccccc2O)C1 1937814115 LJHBGTCCDVRPDX-AWEZNQCLSA-N 320.433 3.476 10 10 DGCE CCNCc1cc(F)c(N2CCCSC[C@@H]2C)c(F)c1 2143617459 QHRAJZULAIQEJT-NSHDSACASA-N 300.418 3.406 10 10 DGCE COc1cc(Br)cc(NCc2ccc(O)cc2O)c1 168961859 UNSUMRDQVAROIA-UHFFFAOYSA-N 324.174 3.481 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1CCCCN1Cc1ccc(N)cc1 1977893962 OBXMDMQKUNLPHD-INIZCTEOSA-N 319.449 3.148 10 10 DGCE CC[C@@](O)(CCNC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1977961399 YRPKVBJBEQOIFD-GOSISDBHSA-N 322.449 3.265 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CCCN2CCCN=[N+]=[N-])C1 1982248756 YCZBAEHIZHPTGR-KBPBESRZSA-N 323.441 3.408 10 10 DGCE CSC1CN(c2c(F)cc(CNCC(C)C)cc2F)C1 2153908373 YAAIPORYKQYDNB-UHFFFAOYSA-N 300.418 3.262 10 10 DGCE Cc1cc(CN)ccc1N1C[C@@H]2[C@H](CCN2Cc2ccccc2)C1 2015066592 YQIIPLDJWPINMR-TZIWHRDSSA-N 321.468 3.164 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CC(F)(F)C[C@@H]2C)c1O 2172086401 YODZAXQBQODGBO-QMMMGPOBSA-N 303.736 3.478 10 10 DGCE CO[C@H]1CCCC[C@@H]1N(C)c1cc(Cl)c(CN)cc1F 2177381094 JCILDYZDJFPDNF-ZFWWWQNUSA-N 300.805 3.332 10 10 DGCE CN(Cc1ccc(Br)o1)c1ccc(CO)cc1F 2050627688 ACKIXJVOGPIBKG-UHFFFAOYSA-N 314.154 3.310 10 10 DGCE CC1=C(Br)CCN(C(=O)Nc2ccc(N)cc2)C1 2077208734 QBJDDYFVHGYRBV-UHFFFAOYSA-N 310.195 3.175 10 10 DGCE COc1ccc(N2CCNCC[C@H]2C(F)(F)F)cc1Cl 2203008004 GBWHVSWGFBCXFF-LBPRGKRZSA-N 308.731 3.079 10 10 DGCE CO[C@H]1CC[C@H]1CSc1ncc(CNCC(C)C)s1 2230509901 KAAUHCUDYBIKNW-AAEUAGOBSA-N 300.493 3.406 10 10 DGCE CCCn1nc(Br)cc1NCCc1ccc(N)cc1 2224293055 IQZFXQPUBYSNFZ-UHFFFAOYSA-N 323.238 3.292 10 10 DGCE CCc1cccc(CNc2cscc2S(C)(=O)=O)c1O 2288337577 WTJDEMAPSUNJSC-UHFFFAOYSA-N 311.428 3.032 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)c1cnc(C(F)(F)F)s1 2289295773 IGNNIDZSPRVSCE-ZCFIWIBFSA-N 305.285 3.077 10 10 DGCE Cc1ccc(C=C2SC(=S)N(Cc3ccon3)C2=O)s1 2300341928 MBBHTVNFAUQLNH-UHFFFAOYSA-N 322.436 3.446 10 10 DGCE CCCN1C(=O)C(=Cc2cccc(OCC)c2O)SC1=S 2323693728 RINJVBYDEVEGFT-UHFFFAOYSA-N 323.439 3.402 10 10 DGCE Cc1cccnc1CNCc1ccc(C)c(Br)c1O 2352682771 AWDMYLDENOMVON-UHFFFAOYSA-N 321.218 3.456 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2Cc1csc([N+](=O)[O-])c1 175028077 OIGBMWKCCVXDGG-UHFFFAOYSA-N 319.386 3.121 10 10 DGCE CCn1cc(C2CCN(Cc3cc(F)ccc3O)CC2)cn1 180038208 CSGWROVCOJAAMB-UHFFFAOYSA-N 303.381 3.127 10 10 DGCE CCc1nnsc1CN(C)c1ccc(CNC)cc1Cl 2361115906 CCFOUWLTRQWCJY-UHFFFAOYSA-N 310.854 3.110 10 10 DGCE CCCOc1ccc(CN2CCC[C@H](c3ccn[nH]3)C2)c(O)c1 121256027 WBEWWEBLCBSPSW-AWEZNQCLSA-N 315.417 3.284 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@]1(C)CC1(Cl)Cl 72748039 BZTFIWCEVJQAOR-CQSZACIVSA-N 315.244 3.295 10 10 DGCE CN1CCc2cc([C@H](CN)Nc3cccc(Cl)c3)ccc21 87913466 ZVQGNSDQSMBSFM-INIZCTEOSA-N 301.821 3.444 10 10 DGCE Cc1ccc([C@H](C)NC/C=C/CNC(=O)OC(C)(C)C)c(O)c1 227754474 OSBXRNNWVHCJNZ-UZYOAWRESA-N 320.433 3.432 10 10 DGCE CO[C@H](C)[C@H](C)N[C@@H](C)c1ccc(Br)cc1O 191651390 SQDHVNMUEZVCEK-LPEHRKFASA-N 302.212 3.229 10 10 DGCE CC[C@H](N[C@@H](C)Cc1cc(C)[nH]n1)c1ccc(N(C)C)cc1 90531753 SWHJLBPXJTUKEC-UGSOOPFHSA-N 300.450 3.456 10 10 DGCE C[C@H]1CN(c2ccc([C@H](C)N)c(Br)c2)C[C@H](C)O1 235514781 PVYHCRPVNPCIAE-DCAQKATOSA-N 313.239 3.082 10 10 DGCE C[C@@H](NC[C@@H]1COc2ccccc2O1)c1cc(F)ccc1O 388389268 RPXMGSAQNLIIQC-DGCLKSJQSA-N 303.333 3.022 10 10 DGCE C[C@@H]1SC[C@H]([C@H](N)c2ccc3c(c2)CCN3C)S[C@@H]1C 2163078637 JKLRUNGBNZCFIB-IRHXVLAXSA-N 308.516 3.304 10 10 DGCE O=C(NCCCSc1nccs1)N[C@H]1CCCC1(F)F 806959052 PVCVGCBVHTVXQK-VIFPVBQESA-N 321.418 3.112 10 10 DGCE CC[C@@H](N[C@@H]1CNCCC1(F)F)c1cc(Cl)ccc1O 817980115 IUUILYBMZUXUKA-DGCLKSJQSA-N 304.768 3.084 10 10 DGCE O=C(NCc1cc(Cl)cc(Cl)c1O)C1(CCF)CC1 811529394 NOWRXYJQXOQHPR-UHFFFAOYSA-N 306.164 3.455 10 10 DGCE CCCc1ncc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2O)o1 834899192 JIMIZCJOYVOBCD-SNVBAGLBSA-N 305.334 3.092 10 10 DGCE O=C(NCCC1(c2ccccc2)CC1)NCc1ccccc1O 915516618 BKDSZBZRXDCWCD-UHFFFAOYSA-N 310.397 3.313 10 10 DGCE Cc1cc(N(C)C)ccc1CN[C@@H](c1ccccc1F)[C@H](C)O 846012614 GFJYMOGSTFBKEU-IFXJQAMLSA-N 316.420 3.412 10 10 DGCE OC[C@]1(CNCc2cccc(Cl)c2O)CCc2ccccc21 846010779 IJXAKZVAAXJLAJ-GOSISDBHSA-N 317.816 3.012 10 10 DGCE CC(C)[C@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 755127210 OCEYAVOTIFPQHA-KRWDZBQOSA-N 315.461 3.474 10 10 DGCE COc1ccc(CNCc2cnc(C(F)(F)F)nc2)cc1C 850345142 LLLQAAGUSGEXCJ-UHFFFAOYSA-N 311.307 3.102 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2C[C@H]3C=C[C@H]2CC3)c1 927816505 QBFRBJFCLBAUJB-QCQGSNGOSA-N 316.401 3.116 10 10 DGCE Cc1cc(C)c([C@H](C)NCc2nc3c(s2)COCC3)c(O)c1 927116759 IUKLORRUXWIBNV-LBPRGKRZSA-N 318.442 3.389 10 10 DGCE C[C@@H](NCCOCCCN)c1ccc(N2CCCCCC2)cc1 863547019 NSBKRWSYSYZVAY-QGZVFWFLSA-N 319.493 3.083 10 10 DGCE CCc1cc(C)c(C(=O)NCc2ccc3c(c2)CCCN3C)o1 767916630 IYCSRNWHQFAMAN-UHFFFAOYSA-N 312.413 3.463 10 10 DGCE CN(C)c1ccc(CN2CCCC[C@H](N3CCCC3)C2)cc1F 769233710 OWSFAKZLJYAJMA-KRWDZBQOSA-N 319.468 3.342 10 10 DGCE COc1cnc(F)c(CN[C@@H](C)c2ccc(N(C)C)cc2)c1 877416763 PJPNORUZGYKFKD-LBPRGKRZSA-N 303.381 3.146 10 10 DGCE CC(C)COc1ccccc1NC[C@@H](O)C[C@](C)(O)C1CC1 872212467 GXYSXVZUJZUNSW-YJBOKZPZSA-N 307.434 3.045 10 10 DGCE Cc1ccc(C(=O)N2CCC[C@H](C(F)(F)F)[C@H]2C)c(O)c1O 775939339 DIROUZBWKSXPIU-KOLCDFICSA-N 317.307 3.209 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)c2nc(Cl)cs2)c1 789995376 HTWDNWJUNKZLFR-ZETCQYMHSA-N 312.778 3.002 10 10 DGCE CNCc1ccc(N2CCN(Cc3ccccc3)[C@@H](C)C2)cc1C 396354342 RAFMRZBKQZEKEG-SFHVURJKSA-N 323.484 3.425 10 10 DGCE Cc1ccc(O[C@H](C)C(=O)NCc2cc(Cl)ccc2O)cc1 1146232464 LQETYFKMDJHDTH-GFCCVEGCSA-N 319.788 3.438 10 10 DGCE C[C@@H]1CCC[C@@H]1CNC(=O)c1cc2cc(O)c(O)cc2s1 1155458415 PEMPLZFJMXCNOZ-NXEZZACHSA-N 305.399 3.479 10 10 DGCE C[C@@H](NC(=O)C[C@@H](O)c1ccc(Cl)cc1)c1ccccc1O 1302530349 MGTAEOHEAAUMPS-BDJLRTHQSA-N 319.788 3.347 10 10 DGCE CN[C@H](C)c1ccc(N(Cc2ccccc2)[C@H](C)CO)cc1O 1914361034 VDYAVDLNGVIEJP-HUUCEWRRSA-N 314.429 3.060 10 10 DGCE OCCCN(Cc1ccccc1)c1ccc(CO)c(Cl)c1 1914646754 YRZAIWXBPVSHSN-UHFFFAOYSA-N 305.805 3.221 10 10 DGCE CCOc1ccc(N2CCN(C[C@@H]3CC(C)(C)CO3)CC2)cc1 1559666921 DRQUYMKIKSBAMY-SFHVURJKSA-N 318.461 3.022 10 10 DGCE C[C@H](NC(=O)/C=C\c1cnc2ccccc2n1)c1ccccc1O 1642827804 RFEGYXNUVDGGQE-OEYXZAGESA-N 319.364 3.226 10 10 DGCE CN[C@H](c1ccccc1O)[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C 1928466917 GIQUOFKXFFKOKA-ZOWXZIJZSA-N 308.422 3.202 10 10 DGCE C[C@H](NC(=O)Cn1ccc2ccc(F)cc21)c1ccccc1O 1642830559 HSAMHIZPMKUXIO-LBPRGKRZSA-N 312.344 3.363 10 10 DGCE CCC1(C)CN(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)C1 1673743479 FFJAGTHGSQOLLT-OAHLLOKOSA-N 317.477 3.434 10 10 DGCE CCCNCc1ccc(N(CC)CCO)cc1C(F)(F)F 167362727 MNPKEZLPAJOQDU-UHFFFAOYSA-N 304.356 3.024 10 10 DGCE Cc1cccc(-n2c(C)cc(C(=O)N[C@@H](C)[C@@H](C)CO)c2C)c1 151809625 CAXRNCHGYQCVQM-ZFWWWQNUSA-N 314.429 3.149 10 10 DGCE CCN1C(=O)/C(=C/C=C\c2cccc([N+](=O)[O-])c2)SC1=S 6470257 UWQRIYAMLGNOLK-HHZHQPEGSA-N 320.395 3.372 10 10 DGCE Cc1ccccc1/C=C1/SC(=S)N(C[C@@H]2CCCO2)C1=O 1858587691 VMDCGQOYDXENQV-FYQHACEVSA-N 319.451 3.375 10 10 DGCE C[C@H](NCc1ccc(N)cc1)c1cnn(Cc2ccccc2)c1 1936958583 CAOMPWDGVPOKJM-HNNXBMFYSA-N 306.413 3.364 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1C=CC[C@H]([C@H](N)c2ccccc2O)C1 1936976805 UPQQMCVEDHDJOL-XEZPLFJOSA-N 318.417 3.252 10 10 DGCE C[C@]1(F)CCCN(c2ccc(CN)c(Br)c2)C1 1946854742 CHUSRLXTMHYRKJ-ZDUSSCGKSA-N 301.203 3.236 10 10 DGCE Oc1cccc(Cl)c1CN[C@H]1CCCC2(CC1)OCCO2 1965995863 IEIGDGUGZGWGNX-LBPRGKRZSA-N 311.809 3.211 10 10 DGCE COC[C@@](C)(NCc1cc(Br)ccc1O)C1CC1 1967799146 SURZKHWRPLDHEP-CQSZACIVSA-N 314.223 3.059 10 10 DGCE CN(C)c1ccc([C@@H](N)C2(NC(=O)OC(C)(C)C)CCC2)cc1 1977945232 MNWOQPPHMYKOEX-OAHLLOKOSA-N 319.449 3.200 10 10 DGCE CN(C(=O)OC(C)(C)C)c1ccc(C(=O)NCCN=[N+]=[N-])cc1 1985095886 KJPDFVBQUIPMHK-UHFFFAOYSA-N 319.365 3.098 10 10 DGCE NCc1ccc(N2CCS[C@H]3CC[C@@H]32)cc1C(F)(F)F 2152201822 UKDBGHXNCPWUSL-STQMWFEESA-N 302.365 3.248 10 10 DGCE Nc1ccc(CNC(=O)c2cc(Cl)cc(Cl)c2O)cc1 2152719135 AIRWQKTZECRCAS-UHFFFAOYSA-N 311.168 3.211 10 10 DGCE O=S(=O)(Nc1ccc(O)c(F)c1)c1ccsc1Cl 2032680834 OSTGPTYXJDEBOT-UHFFFAOYSA-N 307.755 3.047 10 10 DGCE CCOC(=O)c1cc(C(C)C)nn1Cc1ccc(C)cc1O 2069900070 OTLDNIWXNQASLK-UHFFFAOYSA-N 302.374 3.246 10 10 DGCE COc1ccc([C@@H](C)n2cc(C(=O)OC(C)(C)C)cn2)c(O)c1 2069977991 SRFKIYRRKRVFEB-LLVKDONJSA-N 318.373 3.162 10 10 DGCE C[C@H](N)c1ccc(N(C)[C@H]2COCCC2(F)F)c(Cl)c1 2168220888 QQGSKHAPBQJJOT-ZANVPECISA-N 304.768 3.220 10 10 DGCE CN1CC[C@@H](Nc2c(N)cccc2Br)CC12CC2 2048578302 TZJCITDYWFQARX-SNVBAGLBSA-N 310.239 3.070 10 10 DGCE Nc1ccc(OC[C@H](O)c2ccccc2Br)cc1 2050529741 HAOXGCRRLMGHAT-AWEZNQCLSA-N 308.175 3.144 10 10 DGCE Cc1cccc(CNC(=O)c2cnc(Cl)c(Cl)c2)c1O 2204624344 QASGBCADEWWDEK-UHFFFAOYSA-N 311.168 3.332 10 10 DGCE CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1cccnc1 2294492843 FMAAVQBJSRLBPC-UHFFFAOYSA-N 310.332 3.329 10 10 DGCE Cc1ccc(CNC(=O)C2(C)CCC2)c(O)c1Br 2327592075 PSZUTQRLZRHSHP-UHFFFAOYSA-N 312.207 3.270 10 10 DGCE COCCC[C@H](C)NCc1ccc(C)c(Br)c1O 2327628678 JVFQXIOORROSDX-NSHDSACASA-N 316.239 3.368 10 10 DGCE Cc1cccc(NC=C2C(=O)OC(C)(C(C)(C)C)OC2=O)c1 103817655 LGPXLJSJPBLKSS-UHFFFAOYSA-N 303.358 3.153 10 10 DGCE c1ccc(C2(CNCc3ccc(N4CCOCC4)cc3)CC2)cc1 69675179 WFXMSUCRZVQTEF-UHFFFAOYSA-N 322.452 3.345 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)Nc1nc2cc(F)ccc2o1 184146923 FFNRXKMJJHWAJZ-SECBINFHSA-N 302.305 3.421 10 10 DGCE C[C@H](c1ccccn1)N1CCN(c2ccc(CN(C)C)cc2)CC1 71702804 QAHFNEGNCSWJOZ-QGZVFWFLSA-N 324.472 3.026 10 10 DGCE c1cc(N2CCSCC2)ccc1CN[C@H]1CCCSC1 131182398 GSYWZESMJJELTB-HNNXBMFYSA-N 308.516 3.225 10 10 DGCE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H]([C@@H](N)c1ccccc1O)C2 1936973313 GAGCPRWFPAORMO-AEIGPULVSA-N 318.417 3.180 10 10 DGCE Cc1ccc(S(=O)(=O)Nc2cccc(N(C)C)c2)c(C)c1 243088483 IUXLNDBGCKLDKN-UHFFFAOYSA-N 304.415 3.170 10 10 DGCE CCN(C)c1ccc([C@H](C)N[C@H]2Cc3ccccc3[C@H]2O)cc1 247126085 APFGAUWTOHXDKY-PNHOKKKMSA-N 310.441 3.452 10 10 DGCE C[C@H]1COCC[C@H]1NCc1ccc(N(C)C)cc1C(F)(F)F 280521631 HTMIHKNEQIGZMG-XHDPSFHLSA-N 316.367 3.286 10 10 DGCE CSCCCN(C)c1c(F)cc(/C=C\C(=O)O)cc1F 380054180 SDEFFFSMNBSZLQ-PLNGDYQASA-N 301.358 3.252 10 10 DGCE CC[C@@H](N[C@H]1C[C@H]2CC[C@H]1N(C(=O)OC)C2)c1ccccc1O 818358656 AIKIZQHQQDTINO-DMRZNYOFSA-N 318.417 3.052 10 10 DGCE Fc1cc(CNC23CCC(CC2)CC3)ccc1N1CCOCC1 824935858 MGZALJCBDPYQTF-UHFFFAOYSA-N 318.436 3.475 10 10 DGCE COc1nscc1CN(C)c1ccc([C@@H](C)N)cc1Cl 723215572 YCGAUFNAQVTNOL-SECBINFHSA-N 311.838 3.461 10 10 DGCE O=C(Nc1cccc(C(F)(F)F)c1)c1cc(O)c(O)c(O)c1 586737476 JUYNFVDHSNERKE-UHFFFAOYSA-N 313.231 3.075 10 10 DGCE CC[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1cccs1 588403935 KUPFJEJYHRFOFA-XYLWRLHESA-N 303.383 3.440 10 10 DGCE CC(C)[C@H](O)C(C)(C)CNC/C=C\c1ccc(N(C)C)cc1 835041787 NSGNQAIDIDDTSX-ZEVQVBBLSA-N 304.478 3.399 10 10 DGCE O=C(NCc1ccccc1O)c1cccc(-c2cscn2)c1 743328804 VOHBZLBLGIVYOR-UHFFFAOYSA-N 310.378 3.446 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H](CCOc2ccc(N)cc2)C1 1952756875 JCJAYMZLICQUSF-ZDUSSCGKSA-N 306.406 3.295 10 10 DGCE CN1CCCc2cc(CN[C@H](C3CCC3)[C@@H]3CCOC3)ccc21 924870945 MNWLDVXWGQLWMV-UYAOXDASSA-N 314.473 3.364 10 10 DGCE CO[C@H](CN[C@@H](C)c1ccc2ccccc2c1O)[C@H]1CCOC1 850484374 HZLAXCJEBGKTPH-DHSIGJKJSA-N 315.413 3.248 10 10 DGCE CC1(CNC(=O)NCc2cc(Cl)ccc2O)C[C@H]2C[C@@H]2C1 858889693 KQYWTVVJXZVWPM-GHMZBOCLSA-N 308.809 3.281 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC[C@H]2Oc2ccc(N)cc2)C1 1897318875 JZMVCAXDKJZHFC-APHBMKBZSA-N 318.417 3.293 10 10 DGCE CCOC(=O)C1=CC[C@@H](N[C@@H](C)c2ccc(C)c(C)c2O)C1 858505892 CDLUQKAJSZPTGV-DZGCQCFKSA-N 303.402 3.312 10 10 DGCE Nc1ccc(CCNC(=O)N2CCC(C3CCC3)CC2)cc1 851662634 GGSMYKSTLHCXNU-UHFFFAOYSA-N 301.434 3.033 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)C1CCOCC1 755698581 GWURUTVHEDNFEL-OAHLLOKOSA-N 318.461 3.164 10 10 DGCE Cc1nc(NC(=O)NCc2ccc(N(C)C)cc2C)cs1 767124643 CDWIZDOCHGKDHL-UHFFFAOYSA-N 304.419 3.148 10 10 DGCE C[C@@H]1CN(c2ccc(CN)cc2Cl)C[C@](C)(C(F)F)O1 698781722 PCVOAHFDIODKLI-YMTOWFKASA-N 304.768 3.048 10 10 DGCE CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N[C@@H](C)c1ccccc1O 868516449 IIOXAAYWRDRPBI-QRTARXTBSA-N 320.433 3.346 10 10 DGCE COc1ccc(N2CCC(NC3C[C@H]4[C@H](C3)C4(F)F)CC2)cc1 1118420359 OGMUSSXPKLGTRD-IRXDYDNUSA-N 322.399 3.297 10 10 DGCE Nc1ccc(CCNCc2cscc2Br)cc1 1948469164 PNFRTSQMWOLXJT-UHFFFAOYSA-N 311.248 3.425 10 10 DGCE CCOc1ccc(N2CC[C@@H](CNC(C)C)C2)cc1OCC 76382919 XYBUMURBRVYRKU-HNNXBMFYSA-N 306.450 3.308 10 10 DGCE CC(C)Oc1ccc(N2CC[C@@H](CNCCCCCO)C2)cc1 76376386 KMCUFNAETWMJIV-KRWDZBQOSA-N 320.477 3.052 10 10 DGCE Oc1c(F)cc(Br)cc1CNC[C@@H]1CC12CC2 715818783 RRRANIMJAQWPDW-VIFPVBQESA-N 300.171 3.184 10 10 DGCE COc1ccc(NCc2cccc(O)c2O)cc1Br 88318757 PQBWCTXRLDNXSA-UHFFFAOYSA-N 324.174 3.481 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)NOC1CCCC1 1312399672 YQUFPZVLJKKLHD-UHFFFAOYSA-N 317.433 3.302 10 10 DGCE Cc1cc(NCc2cccc(O)c2O)c(Br)nc1C 2125226690 BKOOXDFPAJQLKY-UHFFFAOYSA-N 323.190 3.484 10 10 DGCE c1cc(N2CCCC2)ccc1CNC[C@@H]1C[C@H]2CCC[C@@H]2O1 1349625448 NPWWMYZJIHOVSU-NEWSRXKRSA-N 300.446 3.334 10 10 DGCE CCC(=O)N[C@@H](CNCc1ccc(OC)c(C)c1)C1CCCC1 1278216796 QAZRMTKSXRDXPR-KRWDZBQOSA-N 318.461 3.178 10 10 DGCE COc1nscc1[C@@H](C)NCc1cnc(SC)s1 2257107302 XIJRTMWARDDCNC-SSDOTTSWSA-N 301.462 3.181 10 10 DGCE O=C(c1c(F)ccc(O)c1O)N1CCC=C(c2ccccc2)C1 1457802081 CYFODLKKHBCISL-UHFFFAOYSA-N 313.328 3.166 10 10 DGCE Cc1nc(C(C)(C)C)sc1C(=O)NCc1c(O)cccc1O 1472064104 SYVHVMOZCFMERG-UHFFFAOYSA-N 320.414 3.090 10 10 DGCE CCOc1ccc(N(CCCN2CCCC2=O)CC2CC2)cc1 1473719719 OAMZXXJBGSFPBV-UHFFFAOYSA-N 316.445 3.314 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)c2onc3ccccc23)c1 1566374607 NZRPUNQSHIFJDV-SNVBAGLBSA-N 312.325 3.033 10 10 DGCE C[C@@H](NC(=O)c1ccc(-c2cnc[nH]2)cc1)c1ccccc1O 1648889775 LDOFGSJUFSIHAH-GFCCVEGCSA-N 307.353 3.273 10 10 DGCE CC[C@H](NCc1ccccc1O)[C@@H](C)NC(=O)OC(C)(C)C 1929761975 SKTRFEMDDQAYMY-OCCSQVGLSA-N 308.422 3.174 10 10 DGCE C[C@@H](OCc1ccccc1)C(=O)N1CCC[C@H](N=[N+]=[N-])CC1 1934380091 BCOPCVPCGYCPTB-HIFRSBDPSA-N 302.378 3.283 10 10 DGCE CC(=O)[C@H](C)CCCCC(=O)NCc1ccc(N(C)C)c(F)c1 155070094 KTERTDGDTUYNEM-CYBMUJFWSA-N 322.424 3.293 10 10 DGCE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)C1CC(F)(F)C1 1889598609 GRWCPLNZQQRYBO-BBRMVZONSA-N 320.383 3.337 10 10 DGCE O=C(NCc1ccccc1O)c1cc(Cl)cc(Cl)c1O 1148811929 QLCITQLRQGSINT-UHFFFAOYSA-N 312.152 3.335 10 10 DGCE CC1(C)COc2ccc(N(Cc3ccccc3)C3CNC3)cc21 1977728593 ZVDFEWVLGHDMJO-UHFFFAOYSA-N 308.425 3.335 10 10 DGCE C[C@@H](O)c1cnc(Sc2nnc(C3CC3)n2C2CC2)s1 2159806330 VJYLYALORBXEIV-SSDOTTSWSA-N 308.432 3.151 10 10 DGCE Cc1cc(CO)ccc1N1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 705942218 RMXOMSCJUHOSCM-WOJBJXKFSA-N 322.452 3.056 10 10 DGCE Cc1ccc(CNCc2ccc(Br)cc2O)cn1 691447853 WMCHBXMNODOLFC-UHFFFAOYSA-N 307.191 3.148 10 10 DGCE C[C@@H](N)c1ccc(N2CCO[C@H](C)[C@H]2C)c(Br)c1 380581811 XTMBSYLIJQODBX-GMTAPVOTSA-N 313.239 3.082 10 10 DGCE CNCc1cc(CC(C)C)nn1[C@H](C)c1cccc(C)c1O 2070048743 NYPKXTWPDMSVOT-CQSZACIVSA-N 301.434 3.424 10 10 DGCE CCOC(=O)c1cnn([C@H](C)c2cc(OC)ccc2O)c1Cl 2070387631 RCGNALGOFSNRHR-SECBINFHSA-N 324.764 3.037 10 10 DGCE C[C@@H](F)CN1CCN([C@H](C)c2cc(Cl)ccc2O)CC1 2189987198 YZVSANFQOXAWEC-VXGBXAGGSA-N 300.805 3.082 10 10 DGCE CN1CCc2cc([C@H](O)c3ccc(Br)o3)ccc21 2044711751 WHYLXHZFLYOZEZ-AWEZNQCLSA-N 308.175 3.116 10 10 DGCE CO[C@@]1(CN(C)c2ccc([C@@H](C)O)c(Cl)c2)CCSC1 2186186184 QATAOEXUSFMAHB-IAQYHMDHSA-N 315.866 3.352 10 10 DGCE CCCN[C@@H](c1ccccc1O)[C@@H](O)c1nc(Cl)cs1 2196958644 REFHOLXWAJHOHX-QWHCGFSZSA-N 312.822 3.276 10 10 DGCE CN(CC[C@H]1CCOC1)Cc1cc(Br)ccc1O 2075512455 UTBMBKKASVJMDL-NSHDSACASA-N 314.223 3.013 10 10 DGCE C[C@@H](NC[C@@]1(Br)CC1(F)F)c1cc(F)ccc1O 2082489077 KEDGXORDIZJVGI-HQJQHLMTSA-N 324.140 3.355 10 10 DGCE Cc1cc(CO)ccc1N(C)C[C@]1(Br)CC1(F)F 2082517092 GUMLOUDDMZAWGV-GFCCVEGCSA-N 320.177 3.096 10 10 DGCE Cc1cc(N2C[C@](C)(Br)[C@](C)(F)C2)ccc1CN 2084851521 JOFCMMOWSXYSQE-UONOGXRCSA-N 315.230 3.156 10 10 DGCE OC[C@]12CCC[C@]1(CNCc1cc(Cl)cc(Cl)c1O)C2 2208158725 CBDWKVDADFUKID-HUUCEWRRSA-N 316.228 3.341 10 10 DGCE Cc1ccc([C@@H](C)NCc2conc2Br)c(O)c1 2222852854 SVZNPOPGUQSVGZ-SECBINFHSA-N 311.179 3.302 10 10 DGCE C[C@H](O)c1ccc(N(C)C[C@H](F)[C@@H]2CCOC2)c(Cl)c1 2238344597 XZLHEGJQOHZXKL-SUHUHFCYSA-N 301.789 3.204 10 10 DGCE CC1(C)CCC(S(=O)(=O)N2CCC[C@@H]2CN=[N+]=[N-])CC1 2239982167 WKDJBXMGFQEKEE-LLVKDONJSA-N 300.428 3.060 10 10 DGCE C[C@H](O)c1ccc(N(C)CC[C@@H]2CCO2)c(Br)c1 2264012359 UIJJKLGCYGUTRT-CMPLNLGQSA-N 314.223 3.118 10 10 DGCE COc1cc(OC)c(N(CCO)CC(C)(C)C)cc1Cl 2285870951 NKLVXOSFWMCODA-UHFFFAOYSA-N 301.814 3.202 10 10 DGCE Cc1c(C=CC(=O)N2CCCSc3ccccc32)cnn1C 2304144655 IZEMTKQWGGDIBY-UHFFFAOYSA-N 313.426 3.271 10 10 DGCE Oc1c(Br)cccc1CN[C@@H]1C[C@@H]2C[C@H]1[C@H]1C[C@@H]21 2309575806 STXFJXPGWGOLOX-CUOUOBHDSA-N 308.219 3.289 10 10 DGCE CCCC1=NN(CC)C(=O)C1=Cc1cc(Cl)c(O)c(OC)c1 2332139982 PDEDRNQSLISJHG-UHFFFAOYSA-N 322.792 3.456 10 10 DGCE CC[C@H]1CC(=O)N(Cc2ccc(C)c(Br)c2O)C1 2327797156 RSEQBKXWUJFKEO-JTQLQIEISA-N 312.207 3.222 10 10 DGCE CCN(Cc1ccc(N)cc1)c1ccc(C(N)=O)cc1Cl 62791427 ILWAHPHHYJYUMD-UHFFFAOYSA-N 303.793 3.048 10 10 DGCE CCCN(c1ccc(N)cc1)S(=O)(=O)c1cccc(C)c1 63115484 IOIIRFWYYSMIEG-UHFFFAOYSA-N 304.415 3.183 10 10 DGCE CN(C)C[C@H](NCc1cc(Cl)ccc1O)c1ccccc1 21014262 OCJHOLGBKDVWCJ-INIZCTEOSA-N 304.821 3.438 10 10 DGCE CCC1(CC)CN(CC2CCNCC2)c2ccc(OC)cc2N1 75280904 YHXFQTRCJNMSJI-UHFFFAOYSA-N 317.477 3.486 10 10 DGCE CC(C)[C@@H](NC(=O)COc1ccc(N)cc1)c1cccs1 38055804 GAVVCMJCACAQPI-MRXNPFEDSA-N 304.415 3.223 10 10 DGCE CO[C@H]1CN(Cc2cccc(Br)c2O)CC[C@@H]1C 188305466 UMWGNGTUAXSBMV-GWCFXTLKSA-N 314.223 3.012 10 10 DGCE COc1ccc(N(C)Cc2ccc(F)cc2C(N)=S)cc1 71266197 ITTUSKLGQRDBEE-UHFFFAOYSA-N 304.390 3.105 10 10 DGCE CN(Cc1ccc(N)cc1)Cc1cc(Cl)cc2c1OCC2 228485203 PPQHCZKQXMAHJW-UHFFFAOYSA-N 302.805 3.489 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](CNCc2ccccc2O)C1 382012427 UZZSRWMQINBWKR-UKRRQHHQSA-N 320.433 3.175 10 10 DGCE CC(=O)c1cc(Cl)cc(CN[C@@H]2[C@H](C)O[C@H](C)[C@@H]2C)c1O 528759673 VFEXKFPYCRYCEW-IGRCHAIXSA-N 311.809 3.150 10 10 DGCE O=C(c1cccc(O)c1O)N1CC[C@H](c2ccc(Cl)cc2)C1 366172338 QUZJMGIUBQJMMV-LBPRGKRZSA-N 317.772 3.381 10 10 DGCE C[C@@H](N[C@@H]1COc2ccc(F)cc2C1)c1cc(F)ccc1O 808728064 MMBXTNQVGZSORP-YGRLFVJLSA-N 305.324 3.325 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1C(F)(F)F)[C@@H]1CCOC1 812780803 SWXFGGVUDOEXEQ-CQSZACIVSA-N 316.367 3.382 10 10 DGCE CC1(C)CCCN1C(=O)c1csc(Cc2ccc(N)cc2)n1 817931927 PAQGHFHOPXAPQC-UHFFFAOYSA-N 315.442 3.331 10 10 DGCE COc1cccc([C@H](C)NCc2c(C)cc(CO)cc2C)c1O 903303977 XJLZMGQUCDDWMC-AWEZNQCLSA-N 315.413 3.361 10 10 DGCE C[C@H](N[C@@H]1COCC1(C)C)c1ccc(Br)cc1O 834905657 VHNIPEKUXCIIJQ-TVQRCGJNSA-N 314.223 3.230 10 10 DGCE CCCC[C@](C)(CO)NCc1cc(Br)ccc1O 842745456 BSFQSFOIODAQHL-CQSZACIVSA-N 316.239 3.186 10 10 DGCE COc1cc(O)c(CNC[C@H]2C[C@@H]2c2ccccc2)cc1OC 843419834 BJCZNNPCWMQMIB-GDBMZVCRSA-N 313.397 3.303 10 10 DGCE CCOc1cccc(CN[C@@H](C(C)C)C2(CO)CC=CC2)c1O 843432679 HLRHHHYCOPYMLU-SFHVURJKSA-N 319.445 3.234 10 10 DGCE CCCN(CCC)c1ccc(CN[C@@H]2CCCN(C)C2)cc1 920180959 OUNULMKCGDDZDH-GOSISDBHSA-N 303.494 3.497 10 10 DGCE CCc1ccc(CN[C@H]2CCN(c3ccc(OC)cc3)C2)o1 850347300 PZUWYMCJWIXSFR-AWEZNQCLSA-N 300.402 3.219 10 10 DGCE CC1(CNCc2ccc(N3CCOCC3)cc2)C[C@H]2C[C@@H]2C1 858290844 IMNCANLSBCULES-IAGOWNOFSA-N 300.446 3.049 10 10 DGCE C[C@@H](NCC(C)(C)C(=O)N1CCCC1)c1ccc(N(C)C)cc1 858539870 OMHRAGZNZVZTQC-OAHLLOKOSA-N 317.477 3.052 10 10 DGCE Cc1ccc(O)c([C@H](C)Nc2cccc([C@H]3CNC(=O)C3)c2)c1 757619534 QMSVZYHBAAQLLK-DZGCQCFKSA-N 310.397 3.477 10 10 DGCE CC[C@H](C[C@H](C)O)N[C@H](C)c1ccc(Br)cc1O 866634207 BYSATZOLZVAMKV-HOSYDEDBSA-N 316.239 3.355 10 10 DGCE CN(C)c1ccc(CN2CCN(c3ccccc3)CC2)cc1F 768138501 MIBDXJICZQSNFL-UHFFFAOYSA-N 313.420 3.214 10 10 DGCE Cc1ccc([C@@H](C)NCCOCC(=O)OC(C)(C)C)c(O)c1C 866438591 ZFNKVBRIYRCNIJ-CQSZACIVSA-N 323.433 3.018 10 10 DGCE C[C@]1(C(=O)N2Cc3cccc(O)c3C2)CCc2ccccc2C1 871202713 MBRWPGPCOGPHBT-FQEVSTJZSA-N 307.393 3.430 10 10 DGCE C[C@H](NCCOC(F)(F)C(F)(F)F)c1ccc(F)cc1O 872110090 CMHIUNHRNGDTND-ZETCQYMHSA-N 317.229 3.354 10 10 DGCE O=C(NCc1ccccc1O)c1noc2c1CCc1ccccc1-2 1137471525 PEANZVZIGFIISB-UHFFFAOYSA-N 320.348 3.076 10 10 DGCE CN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1 797190966 SIDRNSLTQMVOFQ-ZYHUDNBSSA-N 301.308 3.329 10 10 DGCE O=C(NCc1c(O)cccc1O)C1CC(c2ccc(F)cc2)C1 1304053068 BJMLPIFWUXEEOX-UHFFFAOYSA-N 315.344 3.047 10 10 DGCE NCc1cc(F)c(N2C[C@H]3CSC[C@@H](C3)C2)cc1Cl 2120879373 KPDKXPPBVDBCNU-UWVGGRQHSA-N 300.830 3.127 10 10 DGCE Cc1ncc(-c2ccc(NC(=O)Cc3ccc(O)c(O)c3)cc2)o1 1440919030 HLYWGWYLGPIKJV-UHFFFAOYSA-N 324.336 3.242 10 10 DGCE COc1ccc(N(C)C(=O)/C=C/c2cccnc2C)c(OC)c1 1519543871 QCBFUINFHAZQEL-JXMROGBWSA-N 312.369 3.083 10 10 DGCE C[C@H](Oc1cccc(Cl)c1)C(=O)N1Cc2cccc(O)c2C1 1455036979 NGVSNBHVBGUGCD-NSHDSACASA-N 317.772 3.355 10 10 DGCE C[C@@H](Cc1cccc(F)c1)C(=O)NCc1c(O)cccc1F 1456109428 YMPLIDZJARHOBH-NSHDSACASA-N 305.324 3.165 10 10 DGCE Cc1ccc(CC(C)(C)NC(=O)Cc2ccc(O)c(O)c2)cc1 1469144102 ONEWWDHANZFQNU-UHFFFAOYSA-N 313.397 3.086 10 10 DGCE COc1ccc2[nH]c(NC(=O)/C=C/c3ccc(O)c(O)c3)cc2c1 1556179991 ZAUZLHLHSWUPFR-XVNBXDOJSA-N 324.336 3.240 10 10 DGCE O=C(CCCn1cccc1)NCc1c(O)ccc2c1CCCC2 1631438598 HHUPMSAJVGNXLP-UHFFFAOYSA-N 312.413 3.169 10 10 DGCE C/C(=C/C(=O)NCc1cccc(O)c1O)c1ccccc1Cl 1633509768 WXPQGXCPQOZJGR-LUAWRHEFSA-N 317.772 3.471 10 10 DGCE COc1ccc(CNC[C@@H](C)NC(=O)C2(C)CCCC2)cc1C 1732965908 RFTYZWDXPLMHIW-OAHLLOKOSA-N 318.461 3.178 10 10 DGCE CCCC(=O)N[C@@H]1CCC[C@H](NCc2ccc(OC)c(C)c2)C1 1662737958 ARHHVGHCVGOYBS-DLBZAZTESA-N 318.461 3.321 10 10 DGCE CC[C@H]1CN(c2ccc(CNC)cc2C(F)(F)F)CCO1 163675805 RQXMVYIWTAHLSW-LBPRGKRZSA-N 302.340 3.040 10 10 DGCE CC(C)(C)OC(=O)NCc1cc([C@H](N)c2ccccc2O)co1 1937893461 AOTYRUXINTVONI-HNNXBMFYSA-N 318.373 3.058 10 10 DGCE Cc1cc(Cl)ccc1NS(=O)(=O)Cc1ccc(N)cc1 21017747 ILBQYWDZPSHSNN-UHFFFAOYSA-N 310.806 3.173 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@]2(Nc3ccc(N)cc3)C[C@H]2C1 1977675369 YHXOVHJOAUDYHD-SCLBCKFNSA-N 317.433 3.470 10 10 DGCE CCCN[C@@H](CNC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1977945246 MTZSTYAJSQDSMJ-INIZCTEOSA-N 321.465 3.318 10 10 DGCE CCN(CC)C(=O)[C@H](C)NCc1cc(Cl)cc(Cl)c1O 37126656 RTGGFSDEEDOANP-VIFPVBQESA-N 319.232 3.046 10 10 DGCE Cc1ccc(CNC[C@@H](NC(=O)OC(C)(C)C)C(C)C)c(O)c1 1994457853 JACPXOHRPMMUJU-OAHLLOKOSA-N 322.449 3.340 10 10 DGCE C[C@H](NCc1cc(Cl)cc(Cl)c1O)c1cn(C)cn1 710151089 ZIBLDBKXZBDRCQ-QMMMGPOBSA-N 300.189 3.283 10 10 DGCE C[C@H](NCc1coc(Br)c1)c1c(O)cccc1O 386116323 VFGXUGKRKPSHLS-QMMMGPOBSA-N 312.163 3.304 10 10 DGCE COC[C@H]1CCCCN(c2cc(Cl)c(CN)cc2F)C1 2177380277 CUJVTCQECWUFCG-NSHDSACASA-N 300.805 3.191 10 10 DGCE CCCN(C[C@@H]1CCOC1)c1cc(Cl)c(CN)cc1F 2177379401 YXUCYMLEGAHUKM-NSHDSACASA-N 300.805 3.191 10 10 DGCE CN(CCC(F)(F)C(F)F)c1ccc(CN)c(F)c1F 2166717407 PPNPDSBIVBTFSY-UHFFFAOYSA-N 300.246 3.150 10 10 DGCE COc1ccc(O)c(Cn2nc(C3(C)CC3)c(C(C)C)c2N)c1 2079715253 AYNFJGXYZGKGON-UHFFFAOYSA-N 315.417 3.403 10 10 DGCE CN(c1ccc(CN)c(F)c1)[C@@H]1CS[C@@H](C(F)(F)F)C1 2189456012 ZCIVKNHNETVRFN-CMPLNLGQSA-N 308.344 3.157 10 10 DGCE CN(Cc1ccc(N)cc1)C(=O)c1snc(Cl)c1Cl 2110897715 XDTHKJAITHLOCM-UHFFFAOYSA-N 316.213 3.304 10 10 DGCE COC(=O)[C@@](N)(CSc1nccs1)C1CCCCCC1 2208176763 SMQCZUMBBNEIQE-CQSZACIVSA-N 314.476 3.076 10 10 DGCE CSc1ncc(CNC[C@H]2CC3(CO2)CC(F)(F)C3)s1 2284498175 LHAHXYOQBTWYTB-SECBINFHSA-N 320.430 3.159 10 10 DGCE CSc1ncc(CNC(=O)c2cc(C)c(O)c(C)c2)s1 2284506838 IWAXSCRXMYCGNX-UHFFFAOYSA-N 308.428 3.117 10 10 DGCE CSc1ncc(CN=c2c(N)c[nH]c3ccccc23)s1 2284698923 KVJKKSOSMYYULR-UHFFFAOYSA-N 302.428 3.029 10 10 DGCE CCCN1C(=O)C(=Cc2ccc(C(=O)OC)cc2)SC1=S 2297303361 WZEDYBNGSHAXFW-UHFFFAOYSA-N 321.423 3.084 10 10 DGCE CNCc1ccc(N2C[C@@H]3C[C@H]2[C@H]2C[C@@H]23)c(Br)c1 2308722629 NNQXWIGEFAVCSY-OXIQGZBJSA-N 307.235 3.013 10 10 DGCE Nc1ccc(OC[C@@H](O)CSc2ccc(F)c(F)c2)cc1 51328450 IFYLMEIXDOMBKJ-LLVKDONJSA-N 311.353 3.079 10 10 DGCE Cc1nccn1C[C@@H]1CCCN1Cc1cc2c(cc1O)CCC2 176084391 AKISLLOAVZCJOY-SFHVURJKSA-N 311.429 3.050 10 10 DGCE C[C@H](N[C@H](CC(=O)O)c1cccs1)c1ccc(F)cc1O 62747416 YWFKOKZJJMWMEO-JOYOIKCWSA-N 309.362 3.459 10 10 DGCE Cc1cncc(/C=C/C(=O)NCc2ccc3c(c2)CCCN3C)c1 123853766 NYDCLBGEUCDSEQ-SOFGYWHQSA-N 321.424 3.102 10 10 DGCE Nc1ccc(CCCOc2cncc(Br)c2)cc1 122840661 AQSFVQPDUYMAEJ-UHFFFAOYSA-N 307.191 3.438 10 10 DGCE CC1CCN([C@@H](C)CN[C@H](C)c2ccc(F)c(F)c2O)CC1 187677218 CXHMJZIVSGCOLN-QWHCGFSZSA-N 312.404 3.441 10 10 DGCE Nc1ccc(NC(=S)NCCc2ccc(Cl)cc2)cc1 220149906 UEYSRVBCYLEFKS-UHFFFAOYSA-N 305.834 3.451 10 10 DGCE CC(C)[C@H]1C(=O)N(Cc2ccccc2)N(c2ccccc2)C1=O 248152494 BYZNUPPXIMLVPV-KRWDZBQOSA-N 308.381 3.249 10 10 DGCE COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CC[C@H]3C)ccc21 356755922 MYPTZWKHWJOJLB-SJKOYZFVSA-N 314.429 3.433 10 10 DGCE C[C@@H](NCCc1cn[nH]c1)c1cc(Cl)c(Cl)cc1O 289652533 GHXMQPAMAXYQMP-MRVPVSSYSA-N 300.189 3.315 10 10 DGCE CCOc1cccc(CN2CCC=C(Br)C2)c1O 282178834 FMZBBLKIGBTKJC-UHFFFAOYSA-N 312.207 3.275 10 10 DGCE CC(C)c1nn(C)cc1NCc1cc(Cl)cc([N+](=O)[O-])c1O 280215834 FYDIUDYIHJPTQU-UHFFFAOYSA-N 324.768 3.423 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)N2CC[C@H](C)C2)cc1 800002626 ULQYHEDQFZRYSM-HNNXBMFYSA-N 303.450 3.426 10 10 DGCE Nc1ccc(CC(=O)Nc2ccc(CN3CCCC3)cc2)cc1 390668714 ZSKLITAYFKHYSW-UHFFFAOYSA-N 309.413 3.046 10 10 DGCE O=[N+]([O-])c1cc(CN[C@H]2C[C@@H]3C[C@@H]3C2)ccc1N1CCCCC1 818237521 MLASLHKKXLZNIY-MUJYYYPQSA-N 315.417 3.473 10 10 DGCE CC[C@H](NCC1(C2(O)CCOCC2)CC1)c1ccc(C)cc1O 903346908 JMQDFICZIHNJQV-INIZCTEOSA-N 319.445 3.063 10 10 DGCE CCN(CC)c1ccc(CNC(=O)C[C@H](C)[C@@H]2CCCO2)cc1 822608835 YNVCLGTVEADRSP-YJBOKZPZSA-N 318.461 3.354 10 10 DGCE CN(C)c1ccc(/C=C\CNCC[C@@H](O)c2ccccc2)cc1 835052454 CDPRUZRXGTWUPJ-PXDRNWIDSA-N 310.441 3.479 10 10 DGCE Cc1cccc([C@@H](O)CNCc2c(O)cc(C)cc2Cl)c1 840909307 QACOILFXEDEGKQ-KRWDZBQOSA-N 305.805 3.486 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H](N)C[C@@H]1c1c(O)cccc1Cl 1952535858 PZLIEBBORXLDSR-GXSJLCMTSA-N 312.797 3.055 10 10 DGCE Cc1cc(N(C)C)ccc1CNc1cccc([C@H]2CNC(=O)C2)c1 840928910 AQXBFKQITHKYTP-QGZVFWFLSA-N 323.440 3.277 10 10 DGCE O=C(O)[C@@H](NCc1c(O)ccc(Cl)c1F)c1cccs1 756336858 BAQBLKFPMCQPEW-LBPRGKRZSA-N 315.753 3.162 10 10 DGCE C[C@@]1(C(F)F)CN(Cc2c(O)ccc3ccccc23)CCO1 853634005 ZUTBMNVVFYGGNT-KRWDZBQOSA-N 307.340 3.401 10 10 DGCE CC(=O)c1cc(Cl)cc(CNC2(CCO)CCCC2)c1O 852118096 DZTQVSIISRHWKW-UHFFFAOYSA-N 311.809 3.033 10 10 DGCE Oc1ccccc1CN1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 858013758 FJSZZFWYDUDSDW-QGZVFWFLSA-N 310.397 3.318 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2sc(CC3CC3)nc2C)c1 862757058 FYLDAZDDZZJIOV-UHFFFAOYSA-N 316.426 3.348 10 10 DGCE Cc1nn(C)c(C)c1CCCNCc1c(O)cccc1Cl 774824691 ODTNEFZYOZAHTP-UHFFFAOYSA-N 307.825 3.118 10 10 DGCE COCCN(Cc1cccc(C)c1O)Cc1scnc1C 787306004 XZKYJULNNHHDTN-UHFFFAOYSA-N 306.431 3.114 10 10 DGCE CC(C)OCCCCNC(=O)c1cc2cc(O)c(O)cc2s1 897366752 SAEPYPPNEBHHAN-UHFFFAOYSA-N 323.414 3.248 10 10 DGCE OC[C@@H](NCc1c(O)ccc(Cl)c1F)c1ccsc1 790989453 DCRVKBDQFMVYFQ-LLVKDONJSA-N 301.770 3.069 10 10 DGCE CCN(CC)c1ccc(CNC(=O)N2[C@@H](C)C[C@H]2C)cc1F 792079278 IYMPVRZKZLJVSL-BETUJISGSA-N 307.413 3.364 10 10 DGCE C[C@H](N[C@@H]1CCCC2(C1)OCCO2)c1ccc(N(C)C)cc1 715640435 PTYOJYUFYMAFGZ-GOEBONIOSA-N 304.434 3.089 10 10 DGCE Cc1cc(S(=O)(=O)Nc2ccc(O)cc2F)c(C)s1 780838252 SBOWGZPWFKESNU-UHFFFAOYSA-N 301.364 3.010 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNc2ccc(N)cc2)C1 1959366344 JXJCWASAZOIJSS-SWLSCSKDSA-N 305.422 3.374 10 10 DGCE CCc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1Cl 1297584163 TVMQLOSXLWPXFI-UHFFFAOYSA-N 305.761 3.495 10 10 DGCE Cn1cnc(/C=C/C(=O)N2CCCc3c(F)ccc(Cl)c32)c1 1535295801 PPEMAXIWQHLEAD-QPJJXVBHSA-N 319.767 3.205 10 10 DGCE COC[C@H](CN(Cc1ccccc1O)C[C@@H]1CCCO1)C(C)C 1473262355 WSWTUWVQTAUJFO-ROUUACIJSA-N 321.461 3.292 10 10 DGCE CC(=O)N(C)c1ccc(NCc2cc(Cl)cc(F)c2O)cn1 1560510456 WJOIYIBSDXCAKS-UHFFFAOYSA-N 323.755 3.175 10 10 DGCE Cc1nc2cccc(C(=O)NCc3cc(Cl)ccc3O)c2[nH]1 1644590756 NIFBIKLFIFHPOL-UHFFFAOYSA-N 315.760 3.160 10 10 DGCE CCOC(=O)/C=C/CN1CCCc2cc(OC(F)F)ccc21 1657590337 SYYMZVHFJXAPDO-GQCTYLIASA-N 311.328 3.160 10 10 DGCE C[C@H](N[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1O 1931311734 KNKWDCYQPUPGOO-AVGNSLFASA-N 306.406 3.099 10 10 DGCE CC1CCC(OC(=O)CNCc2cc(Cl)ccc2O)CC1 1857872861 FPCRNMYHQXRPRM-UHFFFAOYSA-N 311.809 3.257 10 10 DGCE CN(Cc1cnsc1)c1ccc(CO)cc1Br 1945144709 WMDFLTFKHPHETN-UHFFFAOYSA-N 313.220 3.034 10 10 DGCE C[C@H](N[C@H]1CC[C@H]1NC(=O)OC(C)(C)C)c1cc(F)ccc1O 1986712595 MIUNNFHJWKODMH-LEWSCRJBSA-N 324.396 3.238 10 10 DGCE NC[C@]1(C2CC2)CCN(Cc2cc(Cl)cc(Cl)c2O)C1 2149614442 DTTPZIMXTYUFTA-OAHLLOKOSA-N 315.244 3.260 10 10 DGCE CCNCc1cnc(Sc2ccc(NC(C)=O)cc2)s1 2155313498 LRHWUKIGMWTCQS-UHFFFAOYSA-N 307.444 3.362 10 10 DGCE C[C@H](O)c1ccc(N2CC3CC2(CF)C3)cc1Br 2030297403 KJGUKGAUGXGHPB-IPWFMCSPSA-N 314.198 3.441 10 10 DGCE C[C@@H]1CN(c2ccc(CN)c(Br)c2F)CC1(F)F 2040576565 NHRLTOHDDRBANK-SSDOTTSWSA-N 323.156 3.138 10 10 DGCE CS[C@H]1CC[C@@H]1NCc1cccc(Br)c1O 309900540 HLJIZCHEVKWTRN-QWRGUYRKSA-N 302.237 3.138 10 10 DGCE Cc1ccc([C@@H](C2CC2)n2nc(C(C)C)c(C=O)c2N)c(O)c1 2078983195 FJOXGHGLCWBXJT-QGZVFWFLSA-N 313.401 3.415 10 10 DGCE C[C@H](N[C@@H]1CS[C@H](C(F)(F)F)C1)c1c(O)cccc1O 2189225805 YEALAGXJFAFMID-LAEOZQHASA-N 307.337 3.185 10 10 DGCE O=C(O)C=Cc1ccc(N2CC=C(F)C2)c(Br)c1 2046135819 BFQPJCRPVYDCFE-UHFFFAOYSA-N 312.138 3.220 10 10 DGCE CCCN(Cc1cc(Br)n(C)n1)c1ccc(N)cc1 2111922861 OFVUHBLTIXUNFN-UHFFFAOYSA-N 323.238 3.181 10 10 DGCE [N-]=[N+]=NCC1CCN(Cc2ncsc2Br)CC1 2213763302 DZMQDVOWPBDAFK-UHFFFAOYSA-N 316.228 3.428 10 10 DGCE CSc1ncc(CN[C@@H]2CCO[C@@]3(CCSC3)C2)s1 2208656324 RYGJKIOWUWHOJH-MFKMUULPSA-N 316.517 3.009 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@@H]1NC(=O)Cc1ccc(Br)cc1 2225796873 AYYCGVQOYYXQKG-RYUDHWBXSA-N 323.194 3.339 10 10 DGCE CCN1C(=O)SC(=Cc2ccc(N3CCCC3)c(F)c2)C1=O 2293998704 ABBSYEVTZRYOEH-UHFFFAOYSA-N 320.389 3.482 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)NC[C@H]1C[C@@H]1c1ccccc1 2307987122 FCDWNAWUFZOIRS-HZPDHXFCSA-N 309.365 3.031 10 10 DGCE Nc1cccc(Br)c1N[C@H]1CCC[C@]23C[C@H](CO2)[C@H]13 2328946390 DOUALGCNNYSPGF-MSELDCQNSA-N 323.234 3.401 10 10 DGCE CCc1cnc([C@H](C)NC(=O)CCc2ccc(N)cc2)s1 123430936 DJVLQXZESQOVLY-NSHDSACASA-N 303.431 3.098 10 10 DGCE COc1ccc(O)c([C@@H](C)N[C@H](C)c2ccncc2OC)c1 188796939 LKNXYFWFLUCPQV-VXGBXAGGSA-N 302.374 3.216 10 10 DGCE CC(C)C[C@H](C)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 184657203 IZADISYZOYPNCF-INIZCTEOSA-N 318.461 3.164 10 10 DGCE COc1ccc(N(C)Cc2cc(/C=C\C(=O)O)cs2)cc1 219420124 GUKMPWSYTTVLJV-BAQGIRSFSA-N 303.383 3.491 10 10 DGCE C[C@@H](N[C@H]1CCN(C(=O)C2CCCCC2)C1)c1ccccc1O 183562394 MCALKBGYTBLMMO-ZBFHGGJFSA-N 316.445 3.224 10 10 DGCE COc1ccc(CNC(C)(C)C)cc1C[S@@](=O)CC(C)C 84033881 ADNSJAAYJITPHF-OAQYLSRUSA-N 311.491 3.488 10 10 DGCE CC[C@H](CNC(=O)OC(C)(C)C)N[C@@H](C)c1cc(O)ccc1O 227726593 DRVFDZJAQRFVGH-NWDGAFQWSA-N 324.421 3.052 10 10 DGCE COc1cc(OC)c(N2CCN[C@H](C(C)(C)C)C2)cc1Cl 86129542 UMWCLDNGBKGYQG-HNNXBMFYSA-N 312.841 3.182 10 10 DGCE CCCS(=O)(=O)c1ccc(NCc2ccccc2O)cc1 228427684 TYMBLGORRWPVJK-UHFFFAOYSA-N 305.399 3.188 10 10 DGCE Nc1ccc(NC(=O)CCCOCCc2cccs2)cc1 49584871 YKDLUPOYXYRJID-UHFFFAOYSA-N 304.415 3.308 10 10 DGCE CN[C@H](C)c1cc(Br)cc(Br)c1O 238329229 UCTQJAWYYBDSTL-RXMQYKEDSA-N 309.001 3.198 10 10 DGCE COc1ccc(CNc2cnn(Cc3ccccc3)c2)c(O)c1 237417386 VLLJIONYQWXYOH-UHFFFAOYSA-N 309.369 3.258 10 10 DGCE COC(=O)CC1(NCc2ccc(N(C)C)c(C)c2)CCCC1 815108766 NGCHUFUHNRULBN-UHFFFAOYSA-N 304.434 3.027 10 10 DGCE C[C@H](NC[C@@H]1CCCN1C)c1cccc(C(F)(F)F)c1O 815565882 CLCKPBDKPBIRTR-QWRGUYRKSA-N 302.340 3.156 10 10 DGCE CC(C)N(Cc1ccc(Br)cc1O)[C@@H]1CCOC1 825955261 JDRMIPZUZWDOPO-CYBMUJFWSA-N 314.223 3.154 10 10 DGCE COc1cc(CN2C[C@@H](O)CC[C@@H]2C)c(O)c(C(C)(C)C)c1 826131294 QTOOFZZAUSQVPW-JSGCOSHPSA-N 307.434 3.044 10 10 DGCE Nc1ccc(NC(=O)NC[C@H]2CC[C@@H](c3ccccc3)O2)cc1 841299286 IDGOKTDOINKDLK-SJORKVTESA-N 311.385 3.311 10 10 DGCE CC(=O)N(C)c1ccc(NC/C=C/c2ccc(N(C)C)cc2)cn1 842223794 PJIUDRMJKWSIQR-AATRIKPKSA-N 324.428 3.256 10 10 DGCE Cc1ccc(O)c([C@H](C)NC[C@H]2CCC3(CCOCC3)O2)c1 927013730 LZKHVVWBTUYTBN-LSDHHAIUSA-N 305.418 3.079 10 10 DGCE O[C@H]1C[C@](CNCc2ccc3c(c2)CCCO3)(c2ccccc2)C1 922533427 AMJGKBCIUPPZAM-XUTJKUGGSA-N 323.436 3.194 10 10 DGCE CN(C)c1ccc(/C=C/CNCC2(O)CCC(F)(F)CC2)cc1 850405519 RPNCTPCPNSTCPE-ONEGZZNKSA-N 324.415 3.296 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)c3ccccc3)C2)cc1 855228079 UXEFZUNJYUBXJQ-DOTOQJQBSA-N 324.424 3.194 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@@H](C2CCC2)C1 856171859 BBVBSVPJAZZOIW-SOIVGHGOSA-N 301.386 3.150 10 10 DGCE c1cc(N2CCOCC2)ccc1CNC1C[C@H]2CC[C@H](C1)C2 850068013 BEWMNOCWCDIRSI-IRXDYDNUSA-N 300.446 3.192 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)NCCC2CC=CC2)c1 926710315 IWRDNVPDKHFSKB-GFCCVEGCSA-N 304.390 3.117 10 10 DGCE O[C@@H]1C[C@H]2CN(c3ccc(OCc4ccccc4)cc3)CC[C@H]12 1899862111 DPMLDHDOSYEHOL-FFZOFVMBSA-N 309.409 3.473 10 10 DGCE CN[C@@H]1CN(c2ccc(OCc3ccccc3)cc2)CC12CC2 1899884778 KPUZEFCOXVMLTC-LJQANCHMSA-N 308.425 3.454 10 10 DGCE Cc1ccc(O)c(CNC(=O)N[C@@H]2Cc3ccccc3[C@@H]2C)c1 858608361 RFTIWBCHUIVVBE-SUMWQHHRSA-N 310.397 3.228 10 10 DGCE Cc1cc(C)c([C@@H](C)NCC2(CC(N)=O)CCCCC2)c(O)c1 850573906 STPSBAAEZQTJBF-OAHLLOKOSA-N 318.461 3.486 10 10 DGCE O=C([C@@H]1C[C@H]1c1c(F)cccc1F)N1Cc2cccc(O)c2C1 871203369 YXJODSSONOANLV-VXGBXAGGSA-N 315.319 3.316 10 10 DGCE COc1ccc2c(c1)N(C(=O)/C=C/c1cncc(O)c1)CCCC2 779671283 XUVJUWQRMWTXTJ-VMPITWQZSA-N 324.380 3.179 10 10 DGCE COc1cccc([C@@H](C)OC(=O)c2ccc(C)c(O)c2O)c1 783345495 SXTZDZFUXUWREH-LLVKDONJSA-N 302.326 3.333 10 10 DGCE COCCN(Cc1cc(C(C)C)c(C)cc1O)[C@H]1CCOC1 782964399 VCIGTYSAHADTAJ-INIZCTEOSA-N 307.434 3.061 10 10 DGCE COc1cc(C)cc(CNc2cccc3c2OCCCO3)c1O 895466914 IPTHWLRQZVLUMV-UHFFFAOYSA-N 315.369 3.483 10 10 DGCE Cc1cncc(/C=C\C(=O)N2CCOc3cc(F)c(F)cc32)c1 1130408032 OHBRNQWSCFLHGZ-IHWYPQMZSA-N 316.307 3.107 10 10 DGCE COc1ccc(CNCc2cc(Br)no2)cc1C 718880966 HDCSJFHRQOCTAH-UHFFFAOYSA-N 311.179 3.044 10 10 DGCE C[C@]1(c2ccccc2)C[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 1137066876 GQJRRUQRIFCIFI-CRAIPNDOSA-N 322.368 3.309 10 10 DGCE C[C@@H]1CC[C@H](CN)CN1Cc1cc(Cl)cc(Cl)c1O 70179094 QMHWPCCHMXNRKJ-NXEZZACHSA-N 303.233 3.258 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)c2cc(Cl)nc(Cl)c2)C1 706133140 PMYAFSGPODQRBQ-MRVPVSSYSA-N 300.149 3.303 10 10 DGCE CC1(C)CN(C(=O)c2cccc(O)c2O)CC[C@H]1C(F)(F)F 791125549 GIZTXFVVDTWLGL-LLVKDONJSA-N 317.307 3.148 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)c1c(F)cccc1[N+](=O)[O-] 1165508498 QESXPTDBCGFXSB-UHFFFAOYSA-N 324.695 3.023 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)c1cccc2c1COCC2 1334818558 AIXZHXYWXXHORG-UHFFFAOYSA-N 324.424 3.064 10 10 DGCE Cc1ccc(Br)c(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)c1 1912178091 LPGAUKMQLQKMHM-SECBINFHSA-N 309.167 3.282 10 10 DGCE C[C@@H]1CCN(c2ccc(CO)c(Br)c2)C[C@@H]1F 1946883508 UWXDAJJBTNTAGD-RNCFNFMXSA-N 302.187 3.126 10 10 DGCE C[C@H](c1cccnc1)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 1626155704 WYNCDVXDWGIXAN-LLVKDONJSA-N 311.345 3.077 10 10 DGCE CCC(=O)N[C@@H](CNCc1ccc(OC)c(C)c1)C(C)(C)C 1725731238 BCFJOFOVTTUFCD-INIZCTEOSA-N 306.450 3.034 10 10 DGCE O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@H]1C=CCC1 1637996175 GBQVETJPTURYFE-VIFPVBQESA-N 315.200 3.464 10 10 DGCE CN(C(=O)c1cc(O)cs1)[C@H](c1ccccc1)c1ncc[nH]1 1636669451 ZJZSXFGXZPYAHA-CQSZACIVSA-N 313.382 3.038 10 10 DGCE C[C@H](NC(=O)COc1ccc(Cl)c(F)c1)c1ccccc1O 1635803650 IRCNNRIEOWYDQH-JTQLQIEISA-N 323.751 3.441 10 10 DGCE CCCNCc1ccc(N(C)Cc2cnn(C)c2)c(Cl)c1 163987405 OVEWLPRGGUHNCN-UHFFFAOYSA-N 306.841 3.210 10 10 DGCE C[C@H](N[C@H]1CC[C@@H]1OCc1ccccc1)c1cc(O)ccc1O 1939573406 DWHWTZIIBZRZNV-IXDGSTSKSA-N 313.397 3.496 10 10 DGCE Cc1cccc(NC(=O)CCNCc2ccc(N(C)C)cc2)c1 1857851474 UYPJKUNHARRANH-UHFFFAOYSA-N 311.429 3.179 10 10 DGCE C[C@@H]1CCN(CCCN=[N+]=[N-])[C@H](CNC(=O)OC(C)(C)C)C1 1962306039 XCSASSXAEYUYKJ-OLZOCXBDSA-N 311.430 3.312 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H](CSc2ncc(N)s2)C1 1883313851 HECACSMTJCZSKI-SECBINFHSA-N 315.464 3.074 10 10 DGCE CC1(C)CCN(Cc2cc(Cl)cc(Cl)c2O)[C@H]1C(=O)O 1962966520 WYMFGZNNJVWYQG-LBPRGKRZSA-N 318.200 3.384 10 10 DGCE Cc1cccc(O)c1CNCCC(C)(C)NC(=O)OC(C)(C)C 1963064159 NXUVNMWJRCVLQV-UHFFFAOYSA-N 322.449 3.484 10 10 DGCE CCCSC1CN(c2ccc(CN)cc2Br)C1 1948330167 IIFMBDJXWNNUAD-UHFFFAOYSA-N 315.280 3.240 10 10 DGCE CCCN[C@@H](c1ccccc1O)[C@H](O)c1ncc(Cl)s1 2148161783 HEXTZIGEMVNWQN-STQMWFEESA-N 312.822 3.276 10 10 DGCE C[C@H](N)c1ccc(N2CC[C@H]2C(F)F)cc1Br 2004456330 PMDBERNQJMYFJL-CPCISQLKSA-N 305.166 3.313 10 10 DGCE NCc1ccc(N2CCCC[C@@H]2CF)c(Br)c1 2004419524 HFJDKAOROJRXRF-LLVKDONJSA-N 301.203 3.236 10 10 DGCE CCN1CCc2cc(N(CCCN)Cc3ccccc3)ccc21 1977939939 UGOCLBCRGWRXEU-UHFFFAOYSA-N 309.457 3.424 10 10 DGCE CN[C@@H](c1ccccc1O)[C@@H]1C=CCCN1C(=O)OC(C)(C)C 1985687992 IFXSDHDWWKCHMF-HOCLYGCPSA-N 318.417 3.218 10 10 DGCE CN[C@H](C)c1cnc(Sc2nnc(SC)s2)s1 1997410778 JMFLFCHNDLISHV-RXMQYKEDSA-N 304.491 3.148 10 10 DGCE CC(C)[C@@H]1COC[C@H]1NCc1cc(Cl)cc(Cl)c1O 699460581 YNJPGBVYPUFNRE-WCQYABFASA-N 304.217 3.460 10 10 DGCE CCN[C@]1(C(=O)O)C[C@H](CC)C[C@H](Sc2nccs2)C1 2175485680 AGVXHAKMKSSHPQ-UHIISALHSA-N 314.476 3.247 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CC[C@@H]2NCCC[C@H]2C1 1237384429 WSGOFQFLNHYSMB-HZMBPMFUSA-N 315.244 3.273 10 10 DGCE C[C@H](O)c1ccc(N2CC(F)(C3CC3)C2)c(Br)c1 2052007441 BZYNRODWBOGNIX-VIFPVBQESA-N 314.198 3.441 10 10 DGCE O=C(O)C=Cc1ccc(N2CC(C3CC3)C2)cc1Br 2097246353 ABZXDTLYAZIAQV-UHFFFAOYSA-N 322.202 3.393 10 10 DGCE C[C@H](c1ccc(Cl)cc1O)N1CCO[C@@H](C(F)(F)F)C1 2203362609 OGUCMTJZOZGWNJ-PRHODGIISA-N 309.715 3.370 10 10 DGCE CC[C@]1(C)CN(Cc2cnc(SC)s2)[C@@H](C(C)C)CN1 2284676326 HTALJDJKPKMMLG-UKRRQHHQSA-N 313.536 3.464 10 10 DGCE CC1=NN(c2ccccc2)C(=O)[C@H]1N=Nc1cccc(C(=O)O)c1 2297736462 RMRJNBMFMDQSGD-HNNXBMFYSA-N 322.324 3.260 10 10 DGCE Cn1cc(C=CC(=O)N2CCOc3ncccc32)c2ccccc21 2297783628 FENLYOPLYLBNGE-UHFFFAOYSA-N 319.364 3.012 10 10 DGCE Cc1cccc(CNc2c(Br)nc(C)n2C)c1O 2315677052 ONGXRXVLQHZHOF-UHFFFAOYSA-N 310.195 3.117 10 10 DGCE Cc1ccc(CN2C[C@@H](F)C[C@@H](F)C2)c(O)c1Br 2327570163 GTIOPROOZSSHMG-PHIMTYICSA-N 320.177 3.345 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCN[C@@H]2CCC[C@@H]21 2341942385 MIEMKBBUJFTJMC-OLZOCXBDSA-N 301.217 3.025 10 10 DGCE Nc1ccc(OC[C@H](O)CSc2ccc(F)c(F)c2)cc1 51328449 IFYLMEIXDOMBKJ-NSHDSACASA-N 311.353 3.079 10 10 DGCE COc1cccc(CN2CCC[C@@H]2c2c(C)nn(C)c2C)c1O 122791748 CTBRENDRPWOOOK-OAHLLOKOSA-N 315.417 3.088 10 10 DGCE CN[C@@H](C)c1ccc(N2CCN(CC(C)C)CC2)c(Cl)c1 61698232 MXDXVVNDNIQQHK-AWEZNQCLSA-N 309.885 3.398 10 10 DGCE CC[C@H](NCc1cn[nH]c1)c1cc(Br)ccc1O 38005841 ONYGVGSCMGEWKM-LBPRGKRZSA-N 310.195 3.119 10 10 DGCE C[C@H](Nc1ccc(Cl)c(C(N)=O)c1)c1cc(O)ccc1O 37046019 HPJBBNUATSNZSN-QMMMGPOBSA-N 306.749 3.023 10 10 DGCE c1cc(N2CCCCC2)ccc1CNCCN1CCCCC1 75757481 XPXZWXIYHYNNHH-UHFFFAOYSA-N 301.478 3.252 10 10 DGCE Cc1nn(C)c(C)c1C[C@@H](C)N[C@@H](C)c1cc(F)ccc1O 185560021 MZWGWLUOXWTRQT-MNOVXSKESA-N 305.397 3.163 10 10 DGCE COc1ccc2c(c1)N(C(=O)/C=C/c1cncc(C)c1)C[C@H](C)O2 131242040 LWZDJAGUYKLCML-GBXSZLQWSA-N 324.380 3.226 10 10 DGCE COCCN(c1ccc([C@@H](C)N)c(Br)c1)C(C)C 234706462 YKLRQGPNQRCEQU-LLVKDONJSA-N 315.255 3.330 10 10 DGCE C[C@@H]1CC[C@@H](C)N(Cc2ccc(N3CCOCC3)c(F)c2)C1 93498631 WNSYWYIUBFDXSP-HUUCEWRRSA-N 306.425 3.283 10 10 DGCE O=C(/C=C/c1cncc(O)c1)N1CCc2cc(Cl)ccc21 804347059 DGJWNYPFWAFBHC-DAFODLJHSA-N 300.745 3.043 10 10 DGCE CN[C@@H](c1ccccc1O)[C@H](O)c1ncc(Cl)cc1Cl 2163375282 CNHCOMIWZMVBTQ-JSGCOSHPSA-N 313.184 3.088 10 10 DGCE CCN1CCN(c2ccc(CN[C@@H]3C[C@@H](C)[C@@H]3C)cc2F)CC1 813858591 ASTNSTOIYXMANF-RVKKMQEKSA-N 319.468 3.102 10 10 DGCE Cn1cc(C[C@H]2CCC[C@H]2NCc2cccc(Cl)c2O)cn1 827322057 STIHDXIJTCFBJL-CZUORRHYSA-N 319.836 3.280 10 10 DGCE COC(=O)CCC(C)(C)NC/C=C/c1ccc(N(C)C)cc1 835046273 ICVGAOQYEHXMOK-VOTSOKGWSA-N 304.434 3.087 10 10 DGCE CN(C)c1ccc(CN[C@H](c2cnn(C)c2)C(C)(C)C)cc1 748246290 LRQNPRUHJILZER-QGZVFWFLSA-N 300.450 3.363 10 10 DGCE Cc1cc(O)c(CNCCCOC2CCOCC2)c(Cl)c1 840900602 SBRBHJNQOJZQTJ-UHFFFAOYSA-N 313.825 3.029 10 10 DGCE Cc1ncc(CNC(=O)Cc2cc(C)n(-c3ccccc3)c2C)o1 854911032 KSZHNGXJSKIHDF-UHFFFAOYSA-N 323.396 3.249 10 10 DGCE CC(C)(C)c1cc(O)c(O)c(CN2CCC[C@H]3COCC[C@H]32)c1 756887134 MWMNGURSNYHQMX-XJKSGUPXSA-N 319.445 3.396 10 10 DGCE Cc1ccc(O)c(CNC(=O)NC[C@H]2CC23CCSCC3)c1 858549036 ZRFKOCRWLRSZJA-CQSZACIVSA-N 320.458 3.033 10 10 DGCE CC(C)CCn1ccc(NC(=O)NCc2c(O)cccc2F)n1 930414836 OQUGEFMGDNXXDF-UHFFFAOYSA-N 320.368 3.096 10 10 DGCE C[C@H]1CC[C@H](C)N(Cc2ccc(N3CCN(C)CC3)cc2)C1 775702752 WLTHQWKBLWLTPL-IRXDYDNUSA-N 301.478 3.059 10 10 DGCE Cc1cc(NCc2c(O)cccc2Cl)cc(OCCO)c1 775034531 UKNPQJXNUFYOPZ-UHFFFAOYSA-N 307.777 3.337 10 10 DGCE COC(=O)/C=C\c1ccc(N2CCC[C@@](C)(F)C2)c([N+](=O)[O-])c1 1117757343 SPKNSVLSPPXQCT-GMNBZTITSA-N 322.336 3.109 10 10 DGCE Cc1cncc(/C=C\C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 773995322 TZXWIXFNRWHVRL-WSVPDTOYSA-N 309.413 3.347 10 10 DGCE CC(=O)C(C)(C)CCC(=O)NCc1ccc(N2CCCC2)cc1 773276700 GKTAQVWTEYAURL-UHFFFAOYSA-N 316.445 3.298 10 10 DGCE O=C(c1cc(O)cs1)N1Cc2ccccc2OC2(CCC2)C1 899826137 CPYUUKBKVMSPAV-UHFFFAOYSA-N 315.394 3.411 10 10 DGCE CCCCCOc1ccc(N2CC[C@@H](CNC[C@@H](C)O)C2)cc1 76359859 VDQOLWAPVGSTGP-SJORKVTESA-N 320.477 3.052 10 10 DGCE Cc1ccc(O)c([C@H](C)NCc2cn(C)nc2Br)c1 720682509 YQFQXXBWPQKHQJ-JTQLQIEISA-N 324.222 3.047 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)c1ccc(Br)s1 691686032 LNMHNADUBBNEGR-SSDOTTSWSA-N 315.196 3.426 10 10 DGCE Nc1cccc(Br)c1N[C@@H]1CCN2CCCC[C@@H]12 697528948 LOSYUGBDCSWYFE-OLZOCXBDSA-N 310.239 3.070 10 10 DGCE O=C(C[C@H]1CCCc2ccccc21)NCc1cc(O)ccc1O 1153885950 UHOVCNPOAMNXPI-CQSZACIVSA-N 311.381 3.224 10 10 DGCE Cc1ccc(O)c(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 1187089743 AVBSEVVSVWNPAL-UHFFFAOYSA-N 303.274 3.129 10 10 DGCE [N-]=[N+]=N[C@H]1CCN(C(=O)c2csc(-c3ccsc3)n2)C1 1912203650 RQHFIDHCYIMDDO-VIFPVBQESA-N 305.388 3.396 10 10 DGCE CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]32)cc1F 1357201410 XZBUCRHHFOERDS-SOUVJXGZSA-N 304.409 3.334 10 10 DGCE Cc1ccc([N+](=O)[O-])c(C(=O)N2Cc3cccc(O)c3C2)c1C 1455036961 MNTOVNBABFVJLI-UHFFFAOYSA-N 312.325 3.073 10 10 DGCE CCCNCc1ccc(N2CC(F)(F)C2)cc1Br 1917016594 LREZMQMCIFBSLQ-UHFFFAOYSA-N 319.193 3.404 10 10 DGCE C[C@@H](NC(=O)NCc1ncc(Cl)s1)c1ccccc1O 1471242417 YKBGLOVQPQDPJN-MRVPVSSYSA-N 311.794 3.063 10 10 DGCE C[C@H]1CCc2ccccc2N1C(=O)/C=C/c1ccc(O)c(O)c1 1540435735 XHGPLWXNJADGNW-YKWSONSWSA-N 309.365 3.479 10 10 DGCE C[C@H](NC(=O)N[C@H](C)c1ccccc1O)c1cccc(O)c1 1564666922 GRTLNBDOIVUHOP-NWDGAFQWSA-N 300.358 3.219 10 10 DGCE C[C@@H](Nc1c(N)cccc1F)C1CN(C(=O)OC(C)(C)C)C1 1959368725 WJOQPCGKZDPVID-SNVBAGLBSA-N 309.385 3.075 10 10 DGCE CCN[C@@H](c1ccccc1O)[C@@H]1C[C@@H]1CNC(=O)OC(C)(C)C 1936974966 OZOXWFQMIDUWHM-XPKDYRNWSA-N 320.433 3.204 10 10 DGCE Oc1cccc(Br)c1CNCC[C@@H]1CCCOC1 858207725 VDZMNCRDWGXRML-NSHDSACASA-N 314.223 3.061 10 10 DGCE C[C@H]1CCN(C(=O)OC(C)(C)C)CCN1Cc1ccc(N)cc1 1977921076 QRACHBZIAWOYHD-AWEZNQCLSA-N 319.449 3.100 10 10 DGCE CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccc(N)cc1 1977965422 ICFVDRUMUVGNSU-MRXNPFEDSA-N 319.449 3.351 10 10 DGCE Oc1ccc(Br)cc1CNC[C@H]1CCC1(F)F 2011541512 PUJUUQHZARXSRM-SECBINFHSA-N 306.150 3.290 10 10 DGCE CCN1C(=O)C(=Cc2cc3ccccc3nc2O)SC1=S 2042454254 XQWIPQJXNLAVES-UHFFFAOYSA-N 316.407 3.162 10 10 DGCE C[C@H](NCc1ccc(Br)cc1O)c1cscn1 691439032 AHZXPMOBQAVZAA-QMMMGPOBSA-N 313.220 3.462 10 10 DGCE C[C@@H]1CCN(c2ccc(CN)c(Br)c2F)[C@@H]1C 380588290 MSSHOPRUIJWHBL-RKDXNWHRSA-N 301.203 3.282 10 10 DGCE Oc1ccc(Br)cc1CN[C@@H]1CCCC1(F)F 397934265 CWWBABJCPLNZCT-LLVKDONJSA-N 306.150 3.432 10 10 DGCE CN(Cc1ccc(Cl)cc1O)CC(F)(F)[C@@H]1CCOC1 2185334587 NMYOBZDAJBUWRP-LLVKDONJSA-N 305.752 3.149 10 10 DGCE Oc1c(F)cc(Br)cc1CN[C@H]1C[C@]12CC2(F)F 2052007981 AWXFNAHFSUBZGP-ONGXEEELSA-N 322.124 3.181 10 10 DGCE COc1cc(Cl)cc(CNC[C@H]2CC[C@H](C)S2)c1O 2095313789 BORQLQXHWICITK-JOYOIKCWSA-N 301.839 3.428 10 10 DGCE C[C@@H](O)c1ccc(N(C)C[C@@H](F)[C@@H]2CCOC2)cc1Cl 2238343271 MUKWIVYNJZMEQX-UEKVPHQBSA-N 301.789 3.204 10 10 DGCE Cc1c(C=CC(=O)N(C)c2ccc(F)c(Cl)c2)cnn1C 2307195918 JMDIPJJTBOIBKK-UHFFFAOYSA-N 307.756 3.197 10 10 DGCE C[C@H](O)c1ccc(N2C[C@@H]3C[C@H]2[C@H]2C[C@@H]23)cc1Br 2308715669 AGOHZSALKXPWCT-AOJZFLCDSA-N 308.219 3.347 10 10 DGCE Cc1ccc(CN2CC(=O)CC2(C)C)c(O)c1Br 2327541603 GPBOWZQBMYNWBZ-UHFFFAOYSA-N 312.207 3.017 10 10 DGCE Cc1cc(Br)c(O)cc1NCc1cccc(O)c1O 2344328843 PKBUDAGCQRYRMR-UHFFFAOYSA-N 324.174 3.486 10 10 DGCE O=C(C1CCN(Cc2ccccc2O)CC1)N1CCCCCC1 179554209 GBHOSZYHHIVJHP-UHFFFAOYSA-N 316.445 3.007 10 10 DGCE CCN(c1ccc([C@H](C)N)c(Br)c1)[C@H](C)COC 300515184 KOAHVBOYDIGZMO-MNOVXSKESA-N 315.255 3.330 10 10 DGCE CN(C)c1ccc2c(c1)[C@@H](CN)N(Cc1ccccc1Cl)C2 71683322 UQGDAVQEIRMRHA-GOSISDBHSA-N 315.848 3.422 10 10 DGCE COc1cc(Cl)c(NCc2ccc(O)cc2O)cc1OC 37043749 WMXQGDHDKDBPRI-UHFFFAOYSA-N 309.749 3.381 10 10 DGCE Cc1noc([C@H](N[C@H](C)c2ccc(F)c(F)c2O)C(C)C)n1 187719221 CVULRCXGQKKWER-AMIZOPFISA-N 311.332 3.410 10 10 DGCE C[C@H]1CCN(C(=O)/C=C/c2cncc(O)c2)c2c(O)cccc21 186322227 XFACJFDZJRHANN-FYJFLYSWSA-N 310.353 3.046 10 10 DGCE O=C(O)c1nc2ccc(F)cn2c1/N=N\c1ccccc1O 71591730 BTFATPSAHQLICG-ZCXUNETKSA-N 300.249 3.293 10 10 DGCE CS(=O)(=O)c1ccc(SCCCc2ccc(N)cc2)cc1 122913149 PKFPANXPYSAMHP-UHFFFAOYSA-N 321.467 3.397 10 10 DGCE CC1(C)C[C@H]2C(=O)N(c3c(Cl)cc(N)cc3Cl)C(=O)[C@@H]21 2365779259 SRVQSSJTJIUWGI-GMSGAONNSA-N 313.184 3.111 10 10 DGCE Oc1c(Br)cc(Br)cc1CNC1CC1 132570463 NJQQMELMSMMKOQ-UHFFFAOYSA-N 321.012 3.169 10 10 DGCE Cc1ccccc1-n1c(C)cc(C(=O)N[C@H]2C[C@H]3CC[C@H]2O3)c1C 191473440 LSDXNOZKZPDEQJ-HHXXYDBFSA-N 324.424 3.452 10 10 DGCE C[C@H]1CN(Cc2ccccc2)CCN1c1ccc([C@@H](C)N)cc1 382724566 QQZJUUFHJNJXOW-DLBZAZTESA-N 309.457 3.417 10 10 DGCE C[C@@H]1CCCN(C[C@@H](C)N[C@H](C)c2ccc(F)c(F)c2O)C1 248935404 NDFVZSJDNHZZBG-JHJVBQTASA-N 312.404 3.441 10 10 DGCE C[C@H](N[C@@H]1CCO[C@@]2(CCSC2)C1)c1ccc(F)cc1O 248529444 WUJKBQBVWXWIRB-GHJWDPDVSA-N 311.422 3.237 10 10 DGCE COCC[C@@H](COC)N(C)[C@@H](C)c1ccc(Cl)cc1O 2203346114 IJEDPVPTUSWXJY-AAEUAGOBSA-N 301.814 3.090 10 10 DGCE CCOCc1cc(CNC2(CCO)CCCC2)ccc1OC 285673225 ZXBTXZWZABOSGG-UHFFFAOYSA-N 307.434 3.017 10 10 DGCE Nc1ccc(CCC(=O)Cc2ccc(Br)o2)cc1 386082684 NREPWEDVDQQSNQ-UHFFFAOYSA-N 308.175 3.369 10 10 DGCE CC(C)(C)[C@@H]1CC[C@H]1NCc1ccc(N2CCOCC2)cc1 806134149 VAUWVVXQOWUEHV-QZTJIDSGSA-N 302.462 3.438 10 10 DGCE CN[C@@H](C)c1ccc(N2CCS[C@H](C(F)(F)F)C2)cc1 721391372 UFCNHCKWFINTJX-GWCFXTLKSA-N 304.381 3.451 10 10 DGCE Cc1cc(CO)cc(C)c1CN[C@H](C)c1cc(F)ccc1O 903304011 YFLUNIVHNIDSJA-CYBMUJFWSA-N 303.377 3.491 10 10 DGCE CN(C)c1ccc(/C=C/CN2CC[C@H](O)C23CCCC3)cc1 835055970 QNXDWQLBGKPWSF-QWNKOJSDSA-N 300.446 3.145 10 10 DGCE C[C@@H](NCc1ccc(N(C)C)c(F)c1)[C@@H]1C[C@H](C(=O)O)C1(C)C 848640625 SOKPKQDCFZXYKG-KWCYVHTRSA-N 322.424 3.117 10 10 DGCE CCN1C(=O)/C(=C/c2c[nH]c(-c3ccccc3)n2)SC1=S 742429644 UODPURUKKZPAOY-WQLSENKSSA-N 315.423 3.298 10 10 DGCE Cc1cc(CCNC(=O)c2ccc[nH]2)c(C)n1-c1ccccc1 746426073 XUWACTRELWCXFB-UHFFFAOYSA-N 307.397 3.395 10 10 DGCE Cc1cc(C(=O)O[C@@H]2COC(C)(C)C2)c(C)n1-c1ccccn1 849679574 JZTLKACLOZARLL-AWEZNQCLSA-N 314.385 3.213 10 10 DGCE COc1ccc(N2CC[C@H](Nc3ccnc(Cl)c3)C2)cc1 853758377 DEMDBEBXOALVGB-ZDUSSCGKSA-N 303.793 3.434 10 10 DGCE COC[C@@H](CCN[C@H](C)c1ccc(Cl)c(Cl)c1O)OC 850485438 IDLZLUDAEYGXOY-NXEZZACHSA-N 322.232 3.401 10 10 DGCE CC[C@@H](NCC[C@@H](N(C)C)C(F)(F)F)c1ccccc1O 926966225 ZFLKBVJPDDOCPS-TZMCWYRMSA-N 304.356 3.316 10 10 DGCE COC(=O)c1ccc(O)c([C@@H](C)NC[C@@H](C)c2ccncc2)c1 756632964 GCWNCGXXWBRDFF-CHWSQXEVSA-N 314.385 3.028 10 10 DGCE COCCN(CC1C[C@@H]2C[C@H]2C1)c1ccc(OC)c(OC)c1 851846750 HAPMVIKYGPWHTO-HUUCEWRRSA-N 305.418 3.203 10 10 DGCE CCN(CC)c1ccc(/C=C(\C(=O)OC)c2ncccn2)cc1 752886160 HQOPHJXADLDXHI-SSZFMOIBSA-N 311.385 3.036 10 10 DGCE CCN(CC)c1ccc(CNCc2cn(C3CC3)cn2)cc1F 865456361 MFEWGNIVFFSAQX-UHFFFAOYSA-N 316.424 3.493 10 10 DGCE COc1ccccc1CCN(C)Cc1c(O)cccc1OC 769335309 WCRNWLLDHCSDIZ-UHFFFAOYSA-N 301.386 3.084 10 10 DGCE CC(=O)C(C)(C)CCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 775404214 MAKFULSVZZRPFU-ZDUSSCGKSA-N 304.434 3.325 10 10 DGCE Cc1cncc(/C=C/C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 773995316 TZXWIXFNRWHVRL-HYJLXUOHSA-N 309.413 3.347 10 10 DGCE Cc1cc(Br)c(O)c(CNC[C@H]2CCC=CO2)c1 780568171 XPYCOHLRWSTTIZ-GFCCVEGCSA-N 312.207 3.245 10 10 DGCE COc1cc(C)cc(CN[C@@H](C2CCC2)[C@@H]2CCOC2)c1O 895453366 BZPGGTRAJAKNLZ-PBHICJAKSA-N 305.418 3.004 10 10 DGCE Cc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1OC(F)F 1136887120 KITOGTZTKBUVCZ-UHFFFAOYSA-N 323.295 3.189 10 10 DGCE COc1ccc(N(C)C[C@H](N)[C@H](C)OCc2ccccc2)cc1 706064483 SSTKOFDIGHELDA-KXBFYZLASA-N 314.429 3.064 10 10 DGCE Brc1cc(CNC2CC2)ccc1N1CC[C@@H]2C[C@@H]21 707086712 JSSGTWHSJXIIGT-ABAIWWIYSA-N 307.235 3.300 10 10 DGCE CCc1ccc(S(=O)(=O)Nc2ccc(O)cc2Cl)s1 85205191 BPCZTGLHXDKKBY-UHFFFAOYSA-N 317.819 3.470 10 10 DGCE CCOC(=O)C1(NCc2ccc(N(C)C)cc2)CCCCC1 1167778235 CSKIUWYANGSISU-UHFFFAOYSA-N 304.434 3.108 10 10 DGCE C[C@H](NC(=O)NC1CC2(C1)CC2(F)F)c1ccc(N(C)C)cc1 1327896235 BSWMLDDYEITSSI-XOMBGVMMSA-N 323.387 3.301 10 10 DGCE Cc1cc(CCNC(=O)NC2(C)CC2)c(C)n1-c1ccccc1 1330534262 QCOISBKZKLRMJD-UHFFFAOYSA-N 311.429 3.488 10 10 DGCE C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)Cc1ccc(O)c(O)c1 1465120264 ROHCAQUMTIYLEZ-XJKSGUPXSA-N 311.381 3.045 10 10 DGCE COC[C@@H]1CC[C@H](NCc2ccc(Br)cc2O)C1 1918599519 GEPRVADSWAPVPV-MFKMUULPSA-N 314.223 3.059 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)Nc1cnc2c(F)cccc2c1 1628828665 FTBKPAYVHDPIKG-FNORWQNLSA-N 324.311 3.437 10 10 DGCE O=C(NC1CCC(C2CCC2)CC1)c1c(F)ccc(O)c1O 1559017584 RWNPXDYBIJSBLC-UHFFFAOYSA-N 307.365 3.326 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21 1625798201 XWPCTMXJVZETTP-BKPSIGNASA-N 312.457 3.393 10 10 DGCE C[C@H](NC(=O)/C=C/c1ccnc(Cl)c1)c1ccccc1O 1632250191 MULGFPJSKBURCY-MLRMMBSGSA-N 302.761 3.331 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)Nc2ccc[n+]([O-])c2)c1 1630548406 OSHJUACJEIXEDT-UHFFFAOYSA-N 321.380 3.288 10 10 DGCE C[C@H](NC(=O)c1ccc2oc(S)nc2c1)c1ccccc1O 1632250214 NLSUJSPNXPGBSD-VIFPVBQESA-N 314.366 3.313 10 10 DGCE CN1C[C@H]2[C@@H](NCc3cc(Cl)cc(Cl)c3O)CC[C@H]2C1 1658777794 IZBMUWBGERSACK-BHYNMZESSA-N 315.244 3.129 10 10 DGCE C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccc(F)cc1 1653196652 YFLPGWWUSIVVGS-SNVBAGLBSA-N 314.320 3.479 10 10 DGCE CC(C)NCc1ccc(N(C)CCN2CCCC2)c(Cl)c1 164066993 LYVOEDIIFWISQO-UHFFFAOYSA-N 309.885 3.370 10 10 DGCE C[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2O)[C@H]1C(=O)O 818631947 WQSXVSYPHHDRGM-PRHODGIISA-N 318.200 3.384 10 10 DGCE C[C@@H](O)c1ccc(N2CC[C@H]2C(F)F)c(Br)c1 2004490908 OQCITAGADOWTDV-HQJQHLMTSA-N 306.150 3.346 10 10 DGCE Cc1cc(N2CC(OCc3ccccc3)C2)ccc1C[C@@H](C)N 1977135526 ILPBXJYTMKHYKC-MRXNPFEDSA-N 310.441 3.290 10 10 DGCE CN[C@@H](C)c1ccc(N2CC(OCc3ccccc3)C2)cc1O 1977123007 FFHBLRQXPHHCCF-AWEZNQCLSA-N 312.413 3.078 10 10 DGCE C[C@@H](CC1CN(C(=O)OC(C)(C)C)C1)[C@H](N)c1ccccc1O 1984136704 CFKNOYARJYEOIA-LRDDRELGSA-N 320.433 3.285 10 10 DGCE CC(C)(C)OC(=O)N1CCCC[C@H]1CNCc1ccc(N)cc1 1990986089 IOHWGGLBENCYAR-INIZCTEOSA-N 319.449 3.148 10 10 DGCE CN[C@@H](c1ccccc1O)[C@H](O)c1c(Cl)cncc1Cl 2149795287 XSQGUCGIXJQUCD-UONOGXRCSA-N 313.184 3.088 10 10 DGCE CC(C)NCc1ccc(N2CC(C)(F)C2)cc1Br 2032482782 CGXNINAJFJPSSV-UHFFFAOYSA-N 315.230 3.495 10 10 DGCE CN(c1ccc(CN)cc1Br)C1CC(C(F)F)C1 2035706907 KBWBUHBCACUBSD-UHFFFAOYSA-N 319.193 3.388 10 10 DGCE O=C1Nc2ccccc2C1=Cc1nccn1Cc1ccccc1 2042958923 FOELVYPPTNPIFA-UHFFFAOYSA-N 301.349 3.424 10 10 DGCE COc1ccc(NCc2ccc(Br)cc2O)cn1 701015002 MHCRXCNMJPWWDL-UHFFFAOYSA-N 309.163 3.170 10 10 DGCE CSC[C@@H]1CCN(c2ccc(CO)c(C(F)(F)F)c2)C1 706757550 YSSSDSXXYMUDFH-SNVBAGLBSA-N 305.365 3.387 10 10 DGCE Cc1cc(O)c([C@@H](C)n2cc(Br)c(O)n2)cc1C 2070624873 WDBDDHHWKSGMQY-SECBINFHSA-N 311.179 3.283 10 10 DGCE CCN[C@H](C)c1cnc(Sc2nc(C)c3n2CCC3)s1 2176933559 QLYKOXGXYMQFCL-SNVBAGLBSA-N 308.476 3.416 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)c2ccncc2Br)CC1 2099330474 XHULPDRNXSWMCG-VIFPVBQESA-N 324.182 3.149 10 10 DGCE COCC[C@@H](COC)N(C)[C@H](C)c1ccc(Cl)cc1O 2203346117 IJEDPVPTUSWXJY-YPMHNXCESA-N 301.814 3.090 10 10 DGCE N=C(NO)c1cnc(Sc2nc3ccccc3s2)s1 2278775777 VWBPJAZXDJEVEH-UHFFFAOYSA-N 308.413 3.208 10 10 DGCE CS[C@H]1CC[C@H]1N(C)c1ccc(CN)c(Br)c1 2307631284 ZCIDOLWPXNKLDG-OLZOCXBDSA-N 315.280 3.238 10 10 DGCE Cc1nn(C)c(Cl)c1C=CC(=O)N1CCc2c(F)cccc21 2309004857 GFARUJHTYOTWQH-UHFFFAOYSA-N 319.767 3.124 10 10 DGCE CN(C[C@H]1CC[C@@H]2C[C@H]12)c1ccc(CN)cc1Br 2308630891 WIYQRMXEBAETES-UPJWGTAASA-N 309.251 3.390 10 10 DGCE CC[C@@H](N)[C@@H](C)N(C)Cc1ccc(C)c(Br)c1O 2327609842 PUVNJCQJRIQQAD-ZYHUDNBSSA-N 315.255 3.021 10 10 DGCE CCCC1=NN2C(=N)/C(=C\c3ccc(F)cc3)C(=O)N=C2S1 3863138 GASKGHYUATVRPY-UZTJDCKESA-N 316.361 3.245 10 10 DGCE CN(C)c1ccc(CNC(=O)N2C[C@@H]3CCCC[C@H]3C2)cc1 176398783 WHUZDXDYNDJOQV-HOTGVXAUSA-N 301.434 3.084 10 10 DGCE CCOCCCCOC(=O)c1cc(C)n(-c2ccccn2)c1C 174553003 OACSFAVCWGTRHA-UHFFFAOYSA-N 316.401 3.463 10 10 DGCE COC[C@H](C)N(C)c1c(F)cc(CNC(C)(C)C)cc1F 62737323 BGUPEWKDMUUCAJ-NSHDSACASA-N 300.393 3.324 10 10 DGCE O=[N+]([O-])c1cc(I)c2scc(O)c2c1 307498146 PMOPLABKLSWVFO-UHFFFAOYSA-N 321.095 3.120 10 10 DGCE CN(C)[C@H](c1ccc(O)cc1O)c1c[nH]c2ccc(F)cc12 71707573 HYHMISPHZNJAOO-QGZVFWFLSA-N 300.333 3.369 10 10 DGCE CCCCc1nnc(NCc2cc([N+](=O)[O-])ccc2O)s1 181544547 WYLFOQTYDORLJQ-UHFFFAOYSA-N 308.363 3.107 10 10 DGCE CC[C@@H](Oc1ccc(N)cc1)C(=O)c1ccc2c(c1)OCCO2 40354242 UBPXZMPEOKPKKF-OAHLLOKOSA-N 313.353 3.080 10 10 DGCE CCN(CC)c1ccc(CNC(=O)c2cn[nH]c2C(C)C)cc1 193434575 NCAJIDKLATYPQP-UHFFFAOYSA-N 314.433 3.309 10 10 DGCE COc1ccc(N2CCN(C(=O)CC3(C)CCCC3)CC2)cc1 807938595 FNAVJPMGZKMFON-UHFFFAOYSA-N 316.445 3.314 10 10 DGCE Cc1cc(C)c([C@@H](C)NCc2cccnc2-n2ccnc2)c(O)c1 293891640 VYHLXIKNPLEXTO-OAHLLOKOSA-N 322.412 3.441 10 10 DGCE COC(=O)Cc1sc2c(Br)cccc2c1O 396277012 RVCJLWIGUYJVJS-UHFFFAOYSA-N 301.161 3.085 10 10 DGCE Cc1ccc(C[C@@H](CO)NC/C=C/c2ccc(N(C)C)cc2)cc1 835049457 DSKPVESOQAQKSV-SGSXCFNPSA-N 324.468 3.267 10 10 DGCE Cc1ccsc1[C@H](CO)NC/C=C\c1ccc(N(C)C)cc1 835042885 LCVCMXSKROOTOR-CHYADLBTSA-N 316.470 3.459 10 10 DGCE CNC(=O)Cc1ccc(NC/C=C/c2ccc(N(C)C)cc2)cc1 835028773 KSLCOSYZTVKJIZ-SNAWJCMRSA-N 323.440 3.166 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCC[C@H](OC(F)F)C2)cc1 835047333 GGUQYTFPXLRSFX-IMMZDGJCSA-N 310.388 3.469 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)/C(F)=C(\C)C3CC3)C2)cc1 912292896 PYABIVVKOSHNDS-VMOJBDSFSA-N 318.392 3.044 10 10 DGCE C[C@H](NC(=O)c1c(F)ccc(O)c1O)C1CCC(F)(F)CC1 848391743 OPGXTEHBHKSXHA-QMMMGPOBSA-N 317.307 3.181 10 10 DGCE Oc1ccc(F)cc1CN[C@H](C[C@H]1CCCO1)C(F)(F)F 848928191 WWZZJEVBOBYFAM-DGCLKSJQSA-N 307.287 3.121 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)c3cc(C)cs3)C2)cc1 855227814 ZNYXHKCLEDBWPY-CYBMUJFWSA-N 316.426 3.074 10 10 DGCE CC[C@H](C)[C@@H](C)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 852007330 ADJNSGRLCKZIFG-RRFJBIMHSA-N 319.449 3.008 10 10 DGCE Cc1cc(CCN[C@@H](C)c2ccc3ccccc3c2O)nn1C 926910539 LRXZIYUBXUQBKM-AWEZNQCLSA-N 309.413 3.481 10 10 DGCE CC[C@@]1(C)CCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 758485935 KSINVOHEDYTAIY-JKNJVXJCSA-N 318.373 3.407 10 10 DGCE CC[C@H](N[C@@H]1CCN(c2ccc(OC)cc2)C1)[C@@H]1CCCOC1 872083643 CTPWDODFAMABKL-MDZRGWNJSA-N 318.461 3.069 10 10 DGCE CC[C@H]1C[C@H](C(=O)NCc2c(O)ccc3ccccc23)CCO1 1558554025 HRPWRRFTMPKUMQ-CABCVRRESA-N 313.397 3.367 10 10 DGCE Cc1ccccc1-n1c(C)cc(C(=O)NC(C)(C)[C@@H](C)O)c1C 782026798 NCLRPNCJJBERGA-OAHLLOKOSA-N 314.429 3.292 10 10 DGCE COc1cc(C)cc(CNc2cc(C)cc(OCCO)c2)c1O 894582038 RSQAZMLPTXMDPJ-UHFFFAOYSA-N 317.385 3.001 10 10 DGCE COc1ccc(N(C)Cc2cccc(Br)n2)cc1 386172399 HLZXJEBTPJAABA-UHFFFAOYSA-N 307.191 3.489 10 10 DGCE Cc1cc(C)cc(-n2c(C)cc(C(=O)N(C)CCCO)c2C)c1 799794312 MKBRCKNXTWYOJU-UHFFFAOYSA-N 314.429 3.165 10 10 DGCE Oc1c(Br)cccc1CNCCCOC1CCC1 717322132 FDJRTFOIVBSQKC-UHFFFAOYSA-N 314.223 3.204 10 10 DGCE C[C@H](N)c1ccc(N(C)CC2CSC2)cc1Br 718265917 GBQNGMNDWORNDD-VIFPVBQESA-N 315.280 3.268 10 10 DGCE O=C(CCc1ccc(O)cc1)NCc1cccc(Cl)c1O 1159041710 YYBMGCRKTFOQKN-UHFFFAOYSA-N 305.761 3.000 10 10 DGCE O=C(c1snc(Cl)c1Cl)N1Cc2cccc(O)c2C1 1302788577 YCSBRYJQEZBGEY-UHFFFAOYSA-N 315.181 3.312 10 10 DGCE FC(F)(F)c1nnc(NCc2ccc(N3CCCC3)cc2)o1 1327599744 BHLHHZRSOFQHKM-UHFFFAOYSA-N 312.295 3.301 10 10 DGCE CN(CCN=[N+]=[N-])Cc1cc(Br)cc2c1OCC2 1912163377 IYKJGUWXYYMEBN-UHFFFAOYSA-N 311.183 3.126 10 10 DGCE [N-]=[N+]=NCC1CCN(Cc2ccc(Br)cn2)CC1 1912146730 DSJNLONQELDPCP-UHFFFAOYSA-N 310.199 3.366 10 10 DGCE COC1CC(N(C)c2ccc([C@H](C)O)cc2Br)C1 1914790855 PKGFQKPDCZUQPS-GCVQQVDUSA-N 314.223 3.116 10 10 DGCE C[C@H](C(=O)NCc1ccc(O)cc1O)c1cccc(Cl)c1 1451768317 NDIDVTNJXVTLGI-JTQLQIEISA-N 305.761 3.171 10 10 DGCE O=C(NCc1ccccc1O)C1(c2ccncc2)CC2(CCC2)C1 1294924699 HJVPFEHQMLLTBF-UHFFFAOYSA-N 322.408 3.306 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)[C@@]23CCCC[C@H]2C3)cc1 1530904592 IUFZQDWJJVEJNK-HNAYVOBHSA-N 316.445 3.170 10 10 DGCE Cc1cc(CC(=O)N2COCC2(C)C)c(C)n1-c1ccccc1 1623717898 YFTLBNJSHHYWHO-UHFFFAOYSA-N 312.413 3.232 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](SCC)C(C)C 1634940019 WZFDCODFOBAVCS-OAHLLOKOSA-N 316.463 3.272 10 10 DGCE CCCC(C)(C)C(=O)NC[C@H](C)NCc1ccc(OC)c(C)c1 1731617204 WZNRGIOGSNUUCB-HNNXBMFYSA-N 320.477 3.424 10 10 DGCE C[C@@H](NCc1nc(Cc2ccccc2)no1)c1ccccc1O 1648054072 NBGNVVQSTDARMG-CYBMUJFWSA-N 309.369 3.217 10 10 DGCE Cc1ncsc1/C=C\C(=O)N1CCOc2cc(F)c(F)cc21 1586429751 PDAHWXDSOYTXPN-IHWYPQMZSA-N 322.336 3.169 10 10 DGCE CC[C@H](C)C(=O)NC[C@H](NCc1ccc(OC)c(C)c1)C(C)C 1698960521 KMRPNKVFQXFTDO-YOEHRIQHSA-N 320.477 3.280 10 10 DGCE Cc1cc(C(=O)NOCc2cccnc2)c(C)n1-c1ccccc1 160831128 ZUHYNAQORADXTI-UHFFFAOYSA-N 321.380 3.351 10 10 DGCE CC1(C)CC(NN=Nc2cccc([N+](=O)[O-])c2)CC(C)(C)N1 1860495413 ZMBNKVOHKSXVQG-UHFFFAOYSA-N 305.382 3.492 10 10 DGCE CN(Cc1ccc(N)cc1)C1(CNC(=O)OC(C)(C)C)CCC1 1977898623 XXXLOFZYZVCJRI-UHFFFAOYSA-N 319.449 3.148 10 10 DGCE CN(Cc1ccns1)c1ccc(CN)c(C(F)(F)F)c1 404440081 WYXMWQQOEQZAFL-UHFFFAOYSA-N 301.337 3.257 10 10 DGCE CC1(C)SC[C@@H]1NCc1cc(Br)cc(F)c1O 715817173 DYZJOGBNXDDFKM-JTQLQIEISA-N 320.227 3.277 10 10 DGCE Cc1ccoc1CN(C)c1ccc(CN)cc1Br 386605950 LYUHWZLWVRJZEG-UHFFFAOYSA-N 309.207 3.446 10 10 DGCE CCCN[C@@H](C)c1ccc(N(C)CC[S@@](C)=O)cc1Cl 399048065 WVBYJKMHTDLDTL-FKIZINRSSA-N 316.898 3.215 10 10 DGCE O=C(O)c1sc(C2CCC2)c(I)c1O 2080392795 AUWDVUWTWZYZJY-UHFFFAOYSA-N 324.139 3.024 10 10 DGCE COc1cccc(Cn2nc(C3CC3)c(C(C)C)c2N)c1O 2079835207 ALWMKTDCNZYNRU-UHFFFAOYSA-N 301.390 3.229 10 10 DGCE CCC(CC)Cc1cc(O)n2nc(C(F)F)c(C(=O)O)c2n1 2080883041 HXTGYAOATBYZBJ-UHFFFAOYSA-N 313.304 3.049 10 10 DGCE NCc1cc(F)c(N2C[C@@H]3CC(F)(F)C[C@H]3C2)cc1Cl 2182841239 VJYDELFCAHZOQJ-UWVGGRQHSA-N 304.743 3.419 10 10 DGCE CO[C@]1(CN(C)c2ccc([C@@H](C)N)cc2Cl)CCSC1 2186279642 YHXWYGQGSAIZCD-ABAIWWIYSA-N 314.882 3.318 10 10 DGCE NCc1ccc(N2CCC[C@H]2C(F)(F)F)cc1Br 2083838964 PXPCMAJWFLLPFU-NSHDSACASA-N 323.156 3.439 10 10 DGCE Cc1nn(C)c(Cl)c1/C=C/C(=O)N(C)c1ccccc1F 102165137 AQXWPAWOPAKDAW-CMDGGOBGSA-N 307.756 3.197 10 10 DGCE Cc1cc(N(C)C2CSCCSC2)ccc1C[C@H](C)N 2237053832 JJCOAAGYJXBVDP-ZDUSSCGKSA-N 310.532 3.170 10 10 DGCE CN(Cc1ccc(N)cc1)c1nc(Cl)nc(Cl)c1F 2265686000 LHDWKQMCCZPTNS-UHFFFAOYSA-N 301.152 3.141 10 10 DGCE CC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccccc2C)SC1=S 2293308633 LWOCLZPLNOKPDH-NSHDSACASA-N 321.423 3.059 10 10 DGCE Cc1ccc(/C=C\C(=O)N2C[C@H]3CCCN3c3ccccc32)cn1 492430066 SSXBKYYVJFHPNU-QXPKXGMISA-N 319.408 3.419 10 10 DGCE CCOC(=O)CCN(CC)N=Nc1ccc(C(=O)OCC)cc1 2330149663 AMZATRVBHJQLNT-UHFFFAOYSA-N 321.377 3.137 10 10 DGCE Cc1ccc(CN2C[C@@H](C)O[C@H](C)C2)c(O)c1Br 2327564485 MZTBIWIHKPGHSP-GHMZBOCLSA-N 314.223 3.072 10 10 DGCE Cc1ccc(CN=c2[nH]c(C)c(C)o2)c(O)c1Br 2327585074 UEMUSPUABCAFJL-UHFFFAOYSA-N 311.179 3.102 10 10 DGCE Cc1ccc(CN2CC3CC(F)(C3)C2)c(O)c1Br 2327797948 AJLHUSDXKQTQQZ-UHFFFAOYSA-N 314.198 3.397 10 10 DGCE Cc1cccc(-n2c(C)cc(C(=O)NCc3noc(C)n3)c2C)c1 118647978 BGNHZGSMRWGDSQ-UHFFFAOYSA-N 324.384 3.024 10 10 DGCE NC[C@H]1CCN(c2ccc(OCCCc3ccccc3)cc2)C1 66056155 JWUZCUDDOASBKJ-GOSISDBHSA-N 310.441 3.483 10 10 DGCE COc1cc(N(C)Cc2sc(C)nc2C)cc(OC)c1OC 172895976 CKLFSOLCHQDYTI-UHFFFAOYSA-N 322.430 3.422 10 10 DGCE Cn1cc([C@H]2CCN(Cc3ccc(N4CCCCC4)cc3)C2)cn1 128374088 MTLNIOFMWFIOCB-SFHVURJKSA-N 324.472 3.400 10 10 DGCE COc1ccc2ccc(O)c(CN(C)CC3CCOCC3)c2c1 124669644 AHQNDWUFQDNSDB-UHFFFAOYSA-N 315.413 3.412 10 10 DGCE Nc1ccc(OCCn2ccc3c(Cl)cccc3c2=O)cc1 75253866 AKTVMKYVTVXXRD-UHFFFAOYSA-N 314.772 3.316 10 10 DGCE Oc1ccc(CNCc2cccc(Br)c2)c(O)c1 42418758 MUSMCKWRPUTRKG-UHFFFAOYSA-N 308.175 3.150 10 10 DGCE Cc1ccc(O)c(CN[C@H]2CCN(Cc3ccccc3)[C@H]2C)c1 381069229 OFZJBZDYDWXHIG-LPHOPBHVSA-N 310.441 3.453 10 10 DGCE CN(C)c1ccc(CN[C@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1F 194009941 MQFDAOLKYXJKRD-FHLIZLRMSA-N 318.436 3.329 10 10 DGCE CCOC(=O)[C@@](C)(NCCN=[N+]=[N-])c1ccc(F)cc1Cl 90257185 OHOOSUFNMVQWHR-ZDUSSCGKSA-N 314.748 3.157 10 10 DGCE CCCN(Cc1ccccc1)c1ccc2c(c1)N(C)C(=O)[C@H]2N 383528651 AERVUEYLABGONZ-SFHVURJKSA-N 309.413 3.079 10 10 DGCE Oc1cc2c(cc1CN1CC[C@@](F)(c3ccccc3)C1)OCO2 800858537 AEUZFZLOFRKUBJ-SFHVURJKSA-N 315.344 3.192 10 10 DGCE Oc1cc(F)c(Cl)cc1CN1CCC[C@@H](c2ncc[nH]2)C1 295374511 OPOCFXSGHRVVQA-SNVBAGLBSA-N 309.772 3.287 10 10 DGCE CN(CC1CC1)c1ccc(/C=C\C(=O)O)cc1Br 384722102 PDBIYVBINPGWMZ-ALCCZGGFSA-N 310.191 3.393 10 10 DGCE CCOC(=O)C(=O)[C@H](N=Nc1ccccc1)C(=O)c1ccccc1 725437449 NJSWQKBUHFAWBX-OAHLLOKOSA-N 324.336 3.154 10 10 DGCE COC(=O)CC(C)(C)C[C@@H](C)N[C@H](C)c1cc(OC)ccc1O 825934875 LXXAKSGBSHQOAN-CHWSQXEVSA-N 323.433 3.419 10 10 DGCE COc1cccc(CNC(=O)N[C@H](C)C2CCC(F)CC2)c1O 823062966 PPPFMGQFADHGSY-LKSINWNRSA-N 324.396 3.117 10 10 DGCE C[C@H](NC(=O)C[C@H](C)[C@H]1CCCO1)c1ccc(N(C)C)cc1 832435575 CGJQHMLTMJWYKQ-GRDNDAEWSA-N 304.434 3.135 10 10 DGCE CN1CCC[C@@]2(CCN(C/C=C\c3ccc(N(C)C)cc3)C2)C1 835055623 LVVDZWJBCMFFPT-RDBXKPKDSA-N 313.489 3.184 10 10 DGCE CC(C)[C@H](O)C(C)(C)CNC/C=C/c1ccc(N(C)C)cc1 835041780 NSGNQAIDIDDTSX-DVBCCOPCSA-N 304.478 3.399 10 10 DGCE COC[C@@](C)(O)CCN[C@@H](C)c1ccc(N2CCCCC2)cc1 834843750 KGWAXMWHEPOOON-LPHOPBHVSA-N 320.477 3.115 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]2CN(c3ccc(N)cc3)CC[C@@H]21 1894536823 HDCRAPYVSDVGBN-CJNGLKHVSA-N 317.433 3.105 10 10 DGCE COc1cccc([C@@H](C)NCc2nccn2CC(C)C)c1O 846145534 LHQFGBVOYWMFKM-CYBMUJFWSA-N 303.406 3.104 10 10 DGCE C/C(=C\C(=O)NCc1ccccc1O)c1ccc([N+](=O)[O-])cc1 752596418 MLNPVPPNHILMHY-ZRDIBKRKSA-N 312.325 3.020 10 10 DGCE CN(C)c1ccc([C@H](N)[C@@H]2CC[C@@H]2NC(=O)OC(C)(C)C)cc1 1898034403 VOKIDXMOCNXDDX-PMPSAXMXSA-N 319.449 3.056 10 10 DGCE CC(C)[C@H](NC(=O)N[C@@H](C)c1ccccc1O)C(F)(F)F 868530708 PBHRVCIQWRKAMH-CABZTGNLSA-N 304.312 3.339 10 10 DGCE CN1CCC(n2cc(NCc3c(O)cccc3Cl)cn2)CC1 865703639 LCIOYYGVNHSYRR-UHFFFAOYSA-N 320.824 3.121 10 10 DGCE Fc1cc(CN[C@H]2CC3CCC2CC3)ccc1N1CCOCC1 767931007 ZSJSRPPFDMVFCJ-PVARCSIZSA-N 318.436 3.331 10 10 DGCE CCc1cccc(CNC[C@H](n2cccn2)C(F)(F)F)c1O 862434796 HPEDSKSIOVUVGJ-ZDUSSCGKSA-N 313.323 3.044 10 10 DGCE COc1ccc(O)c([C@H](C)NC[C@@H]2CCC23CCOCC3)c1 866529882 TVLCMASUVVZODM-KBPBESRZSA-N 305.418 3.258 10 10 DGCE C[C@@H](NCc1nc(-c2ccccc2)n[nH]1)c1ccc(N(C)C)cc1 777574058 FSLGHETYPKCDKK-CQSZACIVSA-N 321.428 3.389 10 10 DGCE O=C(/C=C\c1cncc(O)c1)N1CC2(CCC2)c2c(F)cccc21 779660211 AYHHMLJMWSJJBS-WAYWQWQTSA-N 324.355 3.408 10 10 DGCE C[C@@H](c1cc(Br)ccc1O)N(C)CCCN(C)C 211503713 SSPOVYMESBLPEM-NSHDSACASA-N 315.255 3.099 10 10 DGCE CN(Cc1ccsn1)c1ccc(CN)c(C(F)(F)F)c1 705664148 RBEAARGITNWAGO-UHFFFAOYSA-N 301.337 3.257 10 10 DGCE Cc1cc(Br)c(O)c(CNC[C@@H]2CCSC2)c1 790486274 UXEKCZRKJZEYPB-JTQLQIEISA-N 316.264 3.306 10 10 DGCE CC(C)[C@@H](CCNCc1ccccc1O)NC(=O)OC(C)(C)C 693050488 IFVWMOVJHGWWGO-OAHLLOKOSA-N 322.449 3.421 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)NC2CSC2)c1 1303955841 UBUVUSCLOAOPBO-UHFFFAOYSA-N 300.427 3.248 10 10 DGCE C[C@H]1CC[C@@H](C)N1CC(=O)NCc1c(O)ccc2ccccc12 1304090077 XILKWSJLWZRTEL-OKILXGFUSA-N 312.413 3.034 10 10 DGCE NCc1ccc(N2CC[C@@H](n3cccc3)C2)cc1Br 2115190730 RQTPYLVBTROCLQ-CQSZACIVSA-N 320.234 3.161 10 10 DGCE CCOc1cc(CNCCC(C)C)ccc1N1CCOCC1 211994515 CNOBWIFIFVTKDK-UHFFFAOYSA-N 306.450 3.058 10 10 DGCE O=C(Nc1cc(CC2CCCCC2)[nH]n1)c1cccc(O)c1O 1441932573 PAWNOQRDEVRSGH-UHFFFAOYSA-N 315.373 3.196 10 10 DGCE CN(Cc1nccn1Cc1ccccc1)c1ccc(CN)cc1 1915040324 RXSCOLURZMRQJL-UHFFFAOYSA-N 306.413 3.027 10 10 DGCE O=C(Cc1cccc2cccnc12)N1Cc2cccc(O)c2C1 1455036587 HPJGYMJZCCKZNT-UHFFFAOYSA-N 304.349 3.025 10 10 DGCE Cc1cncc(/C=C/C(=O)N2CCOc3c2ccc(F)c3F)c1 1529219649 YDRJAVZUJHIKLE-GORDUTHDSA-N 316.307 3.107 10 10 DGCE C[C@@H](NC(=O)c1cc(O)nc2ccccc12)c1ccccc1O 1471193897 MIHBIGZXJQDWDZ-LLVKDONJSA-N 308.337 3.137 10 10 DGCE Cc1cnc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1C 1625377670 WBMHLGWTJQPRHE-UHFFFAOYSA-N 309.413 3.229 10 10 DGCE COC(=O)c1cnc(SCc2csc([N+](=O)[O-])c2)s1 1559416221 AQPYCWCGDPHHAM-UHFFFAOYSA-N 316.385 3.192 10 10 DGCE CC(=O)c1cc(F)cc(CN2CCSC[C@H]2C2CCC2)c1O 1653952731 GHRSRFLJSWFLRA-INIZCTEOSA-N 323.433 3.451 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2Cc1cc(F)cc(F)c1 1654011486 PMDWTIUYXUPPDC-UHFFFAOYSA-N 304.340 3.430 10 10 DGCE Cc1c(Br)c(CSc2nccs2)nn1C 1930568055 NVESPCUZAGBQDO-UHFFFAOYSA-N 304.238 3.240 10 10 DGCE C[C@@H]1CCN(c2ccc(N)cc2)C[C@H]1NC(=O)OC(C)(C)C 1959564700 GXJCNJTWKOTGOT-IUODEOHRSA-N 305.422 3.008 10 10 DGCE CC[C@@H](CNC(=O)CC(C)(C)C)NCc1ccc(OC)c(C)c1 1698589808 BHCSWUNDXPCEIE-INIZCTEOSA-N 320.477 3.424 10 10 DGCE CCOc1ccc(/C=C2/C(=O)N(C)N=C2CC)cc1OCC 1865666446 LMDBHNIOYMUDQG-JLHYYAGUSA-N 302.374 3.105 10 10 DGCE CCOc1ccc(/C=C2/C(=O)N(CC)N=C2CC)cc1OC 1865669276 KMUFZBWNHZDAFM-JLHYYAGUSA-N 302.374 3.105 10 10 DGCE CC(C)(C)OC(=O)NC1CC2(C1)C[C@H]2[C@@H](N)c1ccccc1O 1940166188 UXYDKPXWAJYHCD-WLBOWNRPSA-N 318.417 3.085 10 10 DGCE Oc1c(F)cc(Br)cc1CN[C@@H]1CC[C@@H]2C[C@@H]21 1941000779 LSJPCRIYDRTLEO-INNHCVQGSA-N 300.171 3.182 10 10 DGCE CCOc1cccc(CNCCC(=O)OCCC(C)(C)C)c1O 1857869588 LNWOHPDOWXLUFZ-UHFFFAOYSA-N 323.433 3.250 10 10 DGCE COc1ccc(Br)c(CNCC[C@@H](C)F)c1O 1964597272 DBQOFZYBSUHSGG-MRVPVSSYSA-N 306.175 3.001 10 10 DGCE Cc1cccc(O)c1CNC(C)(C)CCNC(=O)OC(C)(C)C 1976894826 GMPKBAWAZSPUEY-UHFFFAOYSA-N 322.449 3.484 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](Nc3ccccc3N)[C@H]2C1 1977678281 MMRANINTDWRNSU-KCQAQPDRSA-N 317.433 3.326 10 10 DGCE CN[C@H](c1ccccc1O)[C@@H]1CC=CCN1C(=O)OC(C)(C)C 1980937005 BGKJJLAEWOGVDD-GOEBONIOSA-N 318.417 3.218 10 10 DGCE CCc1ccc(S(=O)(=O)Nc2ccc(O)cc2Cl)cc1 2145850170 AQIYZKLRQGEXJW-UHFFFAOYSA-N 311.790 3.409 10 10 DGCE CN(C)c1ccc([C@H](N)[C@H]2CCN(Cc3ccccc3)C2)cc1 1988156971 BYUKVIPRAXVJTN-ICSRJNTNSA-N 309.457 3.275 10 10 DGCE C[C@@H](CN[C@H](C)c1ccccc1O)C(=O)OCc1ccccc1 1989688073 XUDZWEQLAGIIKW-LSDHHAIUSA-N 313.397 3.422 10 10 DGCE C[C@H]1C[C@H](F)CN1c1ccc([C@@H](C)O)cc1Br 1997690815 FFRJQMVYIXNGNM-NGZCFLSTSA-N 302.187 3.439 10 10 DGCE C[C@@H](CN(C)Cc1ccc(Br)cc1O)C(F)F 2012200979 MTAIDTPNBGXCRT-QMMMGPOBSA-N 308.166 3.488 10 10 DGCE C[C@@H](N)c1ccc(N2CC3CC2(CF)C3)c(Br)c1 2030293238 XSBNMHHTBSRFDO-NAUIOFCNSA-N 313.214 3.407 10 10 DGCE CCCN(CCCO)c1ccc([C@@H](C)O)c(Br)c1 2032096866 UUFMNMPBGAVYLD-LLVKDONJSA-N 316.239 3.101 10 10 DGCE C[C@@]1(NCc2ccc3c(c2)CCO3)CCN(Cc2ccccc2)C1 406003284 QMZLXEYZQRHIMK-OAQYLSRUSA-N 322.452 3.376 10 10 DGCE CCOC[C@@H]1CCCN1Cc1cccc(Br)c1O 696575118 QSIPBWHKFKWVOF-LBPRGKRZSA-N 314.223 3.156 10 10 DGCE Cc1cccc(CNCc2sncc2Br)c1O 722818993 PONLOXJCXLQWHZ-UHFFFAOYSA-N 313.220 3.209 10 10 DGCE CC(C)(C)OC(=O)c1cnn(Cc2c(O)cccc2Cl)c1 2069988651 YILSCFXVPWMKTA-UHFFFAOYSA-N 308.765 3.246 10 10 DGCE CC(C)[C@H]1C[C@@H](N(C)c2cc(Cl)c(CN)cc2F)CO1 2177382473 AOOCBNQCLFVTOU-IAQYHMDHSA-N 300.805 3.188 10 10 DGCE CC[C@H](c1ccc(C)cc1O)n1nc(C(C)(C)C)c(CO)c1N 2079027400 SYTAYJDFDPJFAY-CQSZACIVSA-N 317.433 3.269 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C[C@@H]2Oc2ccc(N)cc2)C1 2210213341 LLHZEQLBPZIBBV-WQVCFCJDSA-N 318.417 3.293 10 10 DGCE O=C(Nc1nc(C2(Cl)CC2)cs1)c1cccc(O)c1O 2206706920 WXTQFRNAPADMQP-UHFFFAOYSA-N 310.762 3.035 10 10 DGCE CCOC(=O)[C@](N)(CSc1nccs1)C1CCCCC1 2208179004 QOVQFQBVEGDCRN-AWEZNQCLSA-N 314.476 3.076 10 10 DGCE CSc1ncc(CNc2ccc(C=O)cc2[N+](=O)[O-])s1 2284506460 FSMJCNCQXWMWTF-UHFFFAOYSA-N 309.372 3.198 10 10 DGCE COC[C@H](CN(C)[C@@H](C)c1cc(Cl)c(C)cc1O)OC 2286442548 HYJQLCALPHWFFE-RYUDHWBXSA-N 301.814 3.008 10 10 DGCE CN(C)c1ccc(CNC(=O)C=Cc2ccnc(Cl)c2)cc1 2302057433 ZLQSPLYPHHGORL-UHFFFAOYSA-N 315.804 3.131 10 10 DGCE CCN(CCN=[N+]=[N-])C(=O)c1cc(F)cc(Br)c1 2315988247 GYLFBYCIWKAWOE-UHFFFAOYSA-N 315.146 3.361 10 10 DGCE Cc1ccc(CN[C@@H]2[C@@H]3C[C@H]3[C@H]3C[C@H]32)c(O)c1Br 2327613218 SNYAUHOCMGRUKT-OJROKELRSA-N 308.219 3.207 10 10 DGCE CCOc1ccccc1NC(=O)[C@H](C)Cc1ccc(O)c(O)c1 170011168 YXMGJSCOCBMPPL-GFCCVEGCSA-N 315.369 3.314 10 10 DGCE CN(C(=O)/C=C/c1cccc2cccnc12)c1ccc(Cl)nn1 118613206 SKRXTCDSIKFJIN-JXMROGBWSA-N 324.771 3.354 10 10 DGCE CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1[C@@H](CO)N=[N+]=[N-] 1951353905 ABDIXPBLIAZUCV-KGLIPLIRSA-N 318.377 3.020 10 10 DGCE Cc1cccc2c1CCN2Cc1cn(C)nc1-c1cccnc1 180726538 AUVZSGZCKYOBCL-UHFFFAOYSA-N 304.397 3.353 10 10 DGCE COc1ccc(Br)c(CN2CC[C@@](C)(F)C2)c1O 1964601424 UVXDWWVEFFIBLT-CYBMUJFWSA-N 318.186 3.097 10 10 DGCE CN(Cc1nc(C2CCCC2)no1)c1ccc2c(c1)OCO2 121235721 WLXNILJZKMCHRV-UHFFFAOYSA-N 301.346 3.092 10 10 DGCE COc1cc(N)c(N(C)[C@H](C)Cc2cccs2)cc1OC 213776649 XPYMCLZJYBAENO-LLVKDONJSA-N 306.431 3.415 10 10 DGCE CC[C@H](N)CN1CC(CC)(CC)Nc2cc(OC)c(OC)cc21 75280723 YPIAVCKJBGWZEV-ZDUSSCGKSA-N 321.465 3.232 10 10 DGCE C[C@H](Cc1ccc(N)cc1)N1CCN(Cc2ccccc2)CC1 71426030 SSZKYJFGRXBWKX-QGZVFWFLSA-N 309.457 3.018 10 10 DGCE CCOCCN(C)c1ccc([C@H](C)NC)cc1Br 157979529 PFZGQGNSPNLVJZ-NSHDSACASA-N 315.255 3.202 10 10 DGCE COc1cccc(CN2C[C@H](c3ccccc3)OC[C@H]2C)c1O 130658042 FHLVTSATJNTXCJ-RDTXWAMCSA-N 313.397 3.363 10 10 DGCE COc1ccc(N2CC[C@H](C(=O)O)[C@@H]2c2ccccc2F)cc1 40442884 WGZRYCMHXQICGQ-RDJZCZTQSA-N 315.344 3.487 10 10 DGCE CC[C@@H](C)[C@H]1CN(c2cc(Cl)c(OC)cc2OC)CCN1 86129521 BUUMYXCWPRDURB-DGCLKSJQSA-N 312.841 3.182 10 10 DGCE Cc1cccc(CNCCN(C(=O)OC(C)(C)C)C(C)C)c1O 227654101 VONGJSWLYKQHDB-UHFFFAOYSA-N 322.449 3.436 10 10 DGCE CCN[C@@H](C)c1ccc(N(C)Cc2scnc2C)cc1O 93671731 BMHQKUSMNAGQBK-NSHDSACASA-N 305.447 3.464 10 10 DGCE Cc1nc(-n2c(C)cc(C(=O)O)c2C)ccc1Br 91506929 HIIZCSGPHFUHMS-UHFFFAOYSA-N 309.163 3.258 10 10 DGCE CN[C@@H](C)c1ccc(N(CCOC)[C@H](C)COC)c(Cl)c1 250994553 NJCGHJHBDYOWHJ-OLZOCXBDSA-N 314.857 3.108 10 10 DGCE CN(C)c1ccc(CNC(=O)CC(C)(C)C(F)(F)F)cc1 281245738 VMNOXOHDXIRCKV-UHFFFAOYSA-N 302.340 3.347 10 10 DGCE C[C@@H]1CCN(Cc2cc(Cl)c(F)cc2O)C[C@@H]1n1ccnc1 294434595 XNEGPKNLIXEQKY-ABAIWWIYSA-N 323.799 3.464 10 10 DGCE C[C@H](N[C@@H]1CCO[C@@H](c2cccnc2)C1)c1cc(F)ccc1O 296440502 MGEICGKTIUYIFJ-WBHUJUFNSA-N 316.376 3.497 10 10 DGCE CCN[C@@H](c1ccc2c(c1)CCN2C)c1scnc1Cl 2164239591 NKBXRTZYIFNEKI-ZDUSSCGKSA-N 307.850 3.488 10 10 DGCE CCN1CC[C@@H](N(C)Cc2cc(Cl)c(F)cc2O)[C@H](C)C1 816514724 FXVVOTZUBYVTHP-IAQYHMDHSA-N 314.832 3.347 10 10 DGCE Nc1ccc(COc2ccc(Br)cc2CO)cc1 725339877 SAHSBQBICDQHOM-UHFFFAOYSA-N 308.175 3.103 10 10 DGCE Cc1cc(O)c(CN2Cc3cnn(C)c3CC(C)(C)C2)cc1C 828017946 BXEUYOZJUWPETM-UHFFFAOYSA-N 313.445 3.327 10 10 DGCE Cc1cc(C(=O)Cn2ccc(-c3cccnc3)cc2=O)ccc1F 821185513 NBTAGMXDLIPQIW-UHFFFAOYSA-N 322.339 3.241 10 10 DGCE CN1CCCc2cc(CNC(=O)c3[nH]ccc3C3CC3)ccc21 837379708 XRFRSXDZXQIWTD-UHFFFAOYSA-N 309.413 3.205 10 10 DGCE Cc1cc(Cl)cc(CN2CCCC[C@@H]2[C@@H]2CCNC2)c1O 841086265 GWMRLOOMHJDTEW-CZUORRHYSA-N 308.853 3.318 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCS[C@H](C)C1 919080728 FVPJLMBFADMULF-UKRRQHHQSA-N 321.490 3.144 10 10 DGCE COc1cc(CCNCc2c(O)cc(C)cc2Cl)ccc1O 840896280 APLXAASXFSCEBP-UHFFFAOYSA-N 321.804 3.401 10 10 DGCE COc1cccc([C@H](C)NCCN2[C@@H](C)CCC[C@@H]2C)c1O 846147245 UXVCLEOQQLZAPD-KKUMJFAQSA-N 306.450 3.314 10 10 DGCE CCOCc1cc(CNC[C@H]2CCN2C(C)(C)C)ccc1OC 850342228 DPGSRUYGLUVDGM-QGZVFWFLSA-N 320.477 3.194 10 10 DGCE COc1ccc(N(C)Cc2cn(C)nc2Cl)cc1Cl 857037911 BDGDOBWPVBEJFU-UHFFFAOYSA-N 300.189 3.372 10 10 DGCE CN(C)c1ccc(/C=C\CNC[C@@H]2CCN2C2CCCC2)cc1 858286208 UUQCXUXSFUZVJB-PRPIBZDOSA-N 313.489 3.372 10 10 DGCE O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCCC12CC2 868113397 YQFOCWAXOLBSFI-KRWDZBQOSA-N 313.445 3.419 10 10 DGCE CCCCS[C@H](C)C(=O)NCc1ccc2cccnc2c1O 862027842 HRBVCBPCCIJYAJ-GFCCVEGCSA-N 318.442 3.478 10 10 DGCE C[C@H](NC(=O)NCC(C)(C)[C@H]1CCCCO1)c1ccccc1O 868397989 HHIQKHQUXYGRKR-XJKSGUPXSA-N 320.433 3.348 10 10 DGCE Cc1ccc(/C=C\C(=O)NCCCSc2nccs2)cn1 777860478 NYRPCSDOTCQGCY-WAYWQWQTSA-N 319.455 3.158 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCc2ccccc2C1 1126081532 DIMMPJDEDPSBMK-GOSISDBHSA-N 322.452 3.482 10 10 DGCE CC(C)(C)NCc1cnc(S[C@@H]2CCC[C@H](O)C2)s1 2133407972 JGZBRHXMSAKQOT-WDEREUQCSA-N 300.493 3.427 10 10 DGCE Cc1cc(Br)cc(C(=O)N2CC[C@H](N=[N+]=[N-])C2)c1 1912167912 QLYLGYZFSJJUJJ-NSHDSACASA-N 309.167 3.282 10 10 DGCE CNCc1ccc(N(C)[C@@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]4C3)c(Br)c1 2134327667 QKANXBMQKDHLSA-ZTJZGAFRSA-N 321.262 3.259 10 10 DGCE CCCCC[C@H](O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C 1441911632 GGANKFJKXCUCNU-SFHVURJKSA-N 320.477 3.431 10 10 DGCE CNCc1cc(F)c(N(Cc2ccccc2)C[C@H](C)O)c(F)c1 1914640410 XDOHPQUENMKONW-ZDUSSCGKSA-N 320.383 3.072 10 10 DGCE COC(=O)c1ccoc1CN(CC1CC1)c1ccc(OC)cc1 1460132279 TUERRGNEDGQZRZ-UHFFFAOYSA-N 315.369 3.491 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)c1c(F)cccc1F 1469251617 ZMBXKFIEDZRFGT-UHFFFAOYSA-N 314.291 3.149 10 10 DGCE Cc1ccc(O)c(CNC(=O)NC[C@H]2CC3CCC2CC3)c1 1478863543 ACOJYPLACLTLMF-YMAMQOFZSA-N 302.418 3.326 10 10 DGCE CCOc1cc(CNCc2ccccn2)ccc1N1CCCC1 211893719 CIDXFRPIGBQHDJ-UHFFFAOYSA-N 311.429 3.370 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)NCc1cccc2ccccc12 1627451464 KWDYIAWROULYJM-UHFFFAOYSA-N 307.349 3.110 10 10 DGCE CCCCCCN(C)CC(=O)NCc1cc(Cl)ccc1O 1628667046 OLUPKZNTXVNIHS-UHFFFAOYSA-N 312.841 3.174 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@@H](C)[C@@H](F)C2)c(Br)c1 1947332421 HZTNPZXGUGCKPY-LNLATYFQSA-N 301.203 3.263 10 10 DGCE CCC[C@H](C)C(=O)N(C)[C@H](C)CNCc1ccc(OC)c(C)c1 1568263244 VNUFFXZUHIQQCI-GOEBONIOSA-N 320.477 3.376 10 10 DGCE O=C(/C=C\c1ccnc2ccccc12)NCc1c(O)cccc1F 1646034143 ICEHRNHZBMDHAE-HJWRWDBZSA-N 322.339 3.409 10 10 DGCE CNC(=O)c1ccc(Cl)c(NCc2cccc(F)c2O)c1 164985285 PKWJGBCNUSJXJN-UHFFFAOYSA-N 308.740 3.156 10 10 DGCE CC(=O)c1ccc(Cl)c(NC(=O)Cc2ccc(N)cc2)c1 1865956736 GKPKTJNXGWJYHT-UHFFFAOYSA-N 302.761 3.306 10 10 DGCE C[C@H](N[C@H]1CC[C@H]1OCc1ccccc1)c1ccc(O)cc1O 1939572867 ASFMWKBMLZWKAF-SOVGHPHASA-N 313.397 3.496 10 10 DGCE CN[C@@H](c1ccccc1O)C1CC(N(C)C(=O)OC(C)(C)C)C1 1936986496 INAIMCYLQFWZRD-SEEARECTSA-N 320.433 3.298 10 10 DGCE N[C@@H]1C[C@H]2C[C@H]1CN(c1ccc(OCc3ccccc3)cc1)C2 1899866249 WNEAEJIKZTZADG-FUHIMQAGSA-N 308.425 3.439 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2CC(Nc3ccc(N)cc3)C[C@@H]2C1 1977699031 IWRNJPJUYFYYHJ-CHWSQXEVSA-N 317.433 3.326 10 10 DGCE CC[C@@](C)(NC(=O)OC(C)(C)C)[C@H](N)c1ccc(N(C)C)cc1 1977944398 FMPVRZAAFGZOMS-CRAIPNDOSA-N 321.465 3.446 10 10 DGCE COc1ccc(CNC[C@H]2C[C@@H]2NC(=O)OC(C)(C)C)cc1C 1978007547 CGCNUXUGTQJDPM-CABCVRRESA-N 320.433 3.006 10 10 DGCE C[C@H]1C[C@H](F)CN1c1ccc([C@@H](C)N)cc1Br 1997694638 XBHDZSRVFCWGCT-NGZCFLSTSA-N 301.203 3.406 10 10 DGCE CC1(F)CN(c2ccc(C=CC(=O)O)c(Br)c2)C1 2032478919 AYHSITFKZBXSCU-UHFFFAOYSA-N 314.154 3.095 10 10 DGCE CCNCc1cc(F)c(N2CCC[C@@H]2CSC)c(F)c1 400464795 UPAOTJVWBVCSOG-GFCCVEGCSA-N 300.418 3.406 10 10 DGCE CC[C@H]1CO[C@H](CC)CN1c1cc(Cl)c(CN)cc1F 2177381715 QDRHPPIOKAVHRG-NWDGAFQWSA-N 300.805 3.332 10 10 DGCE C[C@@H]1C[C@@H](CN(C)c2cc(Cl)c(CN)cc2F)[C@@H](C)O1 2177382017 UUILVDIHQBSTGW-FOGDFJRCSA-N 300.805 3.188 10 10 DGCE [N-]=[N+]=NCCCCNC(=O)COc1ccc(F)cc1Cl 701287243 VFONELSCLYJRGN-UHFFFAOYSA-N 300.721 3.065 10 10 DGCE Cc1ccncc1CNCc1c(O)cccc1Br 706863851 SIHUUFXHTTWBES-UHFFFAOYSA-N 307.191 3.148 10 10 DGCE Oc1ccc(CNCc2csc(Br)c2)c(O)c1 397334551 SJUMMUGYZRVTHX-UHFFFAOYSA-N 314.204 3.212 10 10 DGCE CCOC(=O)c1sc(C(F)(F)F)c(Br)c1O 2080389872 LIFRANIQJLSFRD-UHFFFAOYSA-N 319.098 3.412 10 10 DGCE C[C@H](CNCc1ccc2c(c1)CCCO2)NC(=O)OC(C)(C)C 1202279669 JSUWCMSBNVRMAK-CYBMUJFWSA-N 320.433 3.014 10 10 DGCE CC[C@H](c1cc(Br)ccc1O)N(C)[C@H]1CC[C@@H]1N 2043165243 KPTHIBSSZLXFAU-XQQFMLRXSA-N 313.239 3.027 10 10 DGCE CN1C[C@H]2C[C@H](Nc3c(N)cccc3Br)CC[C@H]2C1 2089103301 HJRUNQGBKIZODQ-QJPTWQEYSA-N 324.266 3.174 10 10 DGCE CC(NC1CC1)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1 2313682816 LGWMTLMPTOELIH-UHFFFAOYSA-N 317.392 3.464 10 10 DGCE Cc1ccc(CN2CC[C@H](CF)C2)c(O)c1Br 2307568133 AUCGVWQFHXDRPF-SNVBAGLBSA-N 302.187 3.255 10 10 DGCE C[C@H](N)c1ccc(N(C)CCC[C@@H](C)O)c(Br)c1 2314467752 PSIJRXWFLYBDFH-MNOVXSKESA-N 315.255 3.066 10 10 DGCE CC[C@@H](NCc1ccc(C)c(Br)c1O)c1cn[nH]c1 2352683092 DZMTVLJACIKZQQ-GFCCVEGCSA-N 324.222 3.427 10 10 DGCE CC(C)CN(CC(C)C)C(=O)[C@@]12CC[C@@](C)(C(=O)C1=O)C2(C)C 8235337 LCSMRAORKUNZSR-RBUKOAKNSA-N 321.461 3.092 10 10 DGCE CCOC(=O)[C@H]1CCCN(C/C=C\c2ccc(N(C)C)cc2)C1 103855471 HFGHBSYUGAGDJJ-WVRJYTFGSA-N 316.445 3.041 10 10 DGCE C[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)c1cccnc1 173938544 IGXKFEZFWZJILG-OAHLLOKOSA-N 309.413 3.102 10 10 DGCE O=[N+]([O-])c1ccc2c(O)csc2c1I 307501662 NQRHRKNRIOWCMA-UHFFFAOYSA-N 321.095 3.120 10 10 DGCE CC[C@@H](C)N(CC(=O)OC(C)(C)C)Cc1cccc(OC)c1O 180937393 CDDUCPLALRPDKZ-CYBMUJFWSA-N 323.433 3.343 10 10 DGCE COC(=O)c1sccc1CN[C@@H](C)c1cc(OC)ccc1O 182371039 IZRQGJDRJCANQS-JTQLQIEISA-N 321.398 3.100 10 10 DGCE CN(c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-])C1CCCCC1 314071353 LLLAVESUBSAVTK-NTMALXAHSA-N 304.346 3.462 10 10 DGCE CCN(Cc1ccc(N)cc1)[C@@H]1CCO[C@@]2(CCSC2)C1 227179197 PGGSEMZIWJBSRA-SJORKVTESA-N 306.475 3.145 10 10 DGCE CNCc1ccc(N2C[C@H]3C[C@H]2CN3Cc2ccccc2)c(C)c1 384134572 KYJHAJXJXHFFLN-UXHICEINSA-N 321.468 3.178 10 10 DGCE C[C@@H]1CC(C(=O)NCc2c(O)ccc3c2CCCC3)C[C@@H](C)O1 92764525 DXFKOZZQWFKVFB-CHWSQXEVSA-N 317.429 3.091 10 10 DGCE CCCOc1ccc(CN2CCC[C@@H](COCC)C2)c(O)c1 93419356 RIWQEWRZVFGAKG-OAHLLOKOSA-N 307.434 3.430 10 10 DGCE CCOCc1nc([C@@H](C)N[C@H](CC)c2ccccc2O)no1 290140796 KQIUWMQZFADWPY-DGCLKSJQSA-N 305.378 3.114 10 10 DGCE N[C@@H](c1cccs1)c1c(F)ccc(Br)c1O 396457454 KVMUVYDKSMFYRC-JTQLQIEISA-N 302.168 3.403 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CC[C@H](OC)C2)cc1 819974533 NTEKFEFXEPWFKB-WMZOPIPTSA-N 318.461 3.306 10 10 DGCE Cc1ncccc1/C=C\C(=O)N1CCCN(C)c2ccccc21 826101409 SKDWZDBRCFNUHN-KHPPLWFESA-N 307.397 3.276 10 10 DGCE CO[C@@H]1CC[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 821033042 KAYJMVMIIFIWON-CRAIPNDOSA-N 316.445 3.059 10 10 DGCE Cc1cc(C)c([C@H](C)NC[C@]2(OC(C)C)CCOC2)c(O)c1 903357015 IYYYGAHXJYHJKO-MAUKXSAKSA-N 307.434 3.244 10 10 DGCE CC[C@H](N[C@@H](CC)[C@@H](O)C(F)F)c1cc(Cl)ccc1O 834875952 WDGYEXUAPZTVET-GMXVVIOVSA-N 307.768 3.491 10 10 DGCE CC[C@H](N[C@@H](CC)c1cc(Cl)cc(Cl)c1O)C(=O)NC 834911200 HUMJELYLSCFIJM-RYUDHWBXSA-N 319.232 3.264 10 10 DGCE CCCN(CCC)c1ccc(CN[C@H]2CCNC[C@@H]2C)cc1 841064653 RZOQSUQLHPACPZ-LPHOPBHVSA-N 303.494 3.401 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCC([C@H]3CCNC3)CC2)cc1 843127017 NXFXOVWBEVWKFW-RTLBZRNLSA-N 313.489 3.087 10 10 DGCE CCN(C(=O)N[C@H](C)c1ccc(N(C)C)cc1)[C@@H]1CCCOC1 845126035 UQGDRMZWYDTNTF-RHSMWYFYSA-N 319.449 3.024 10 10 DGCE COc1ccc(N2CC[C@@H](Nc3cc(Cl)nc(C)n3)C2)cc1 853759270 QMTCWSCGZVJMDA-GFCCVEGCSA-N 318.808 3.138 10 10 DGCE COc1ccc(N2CCN(C(=O)/C=C3\CC[C@@H](C)C3)CC2)cc1 753561957 FUXFWIIOTNXETP-DPEHCCBOSA-N 314.429 3.090 10 10 DGCE C/C=C(/C=C/C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)CC 855233843 NYLYEJYFNDCIGC-NAQJUFNLSA-N 314.429 3.303 10 10 DGCE COc1cc(Br)cc([C@H]2CC(F)(F)CCN2)c1O 1952685917 OBZCPHRZDJHEJS-SECBINFHSA-N 322.149 3.223 10 10 DGCE CC(C)[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)c1ccc(N)cc1O 1952989131 MFBDWFLUJNOOHU-GUYCJALGSA-N 306.406 3.370 10 10 DGCE C[C@H](CC1CCC1)NCc1ccc(N2CCC(O)CC2)cc1 850566649 QIFXNOWDDCTXCE-OAHLLOKOSA-N 302.462 3.316 10 10 DGCE CCCN(CCC)c1ccc(CNCc2ccn(C)n2)cc1 765787784 BBSKJAHAPNJXSF-UHFFFAOYSA-N 300.450 3.336 10 10 DGCE COc1cc(C)c(CN(C)c2ccc(OC)c(F)c2)c(C)n1 781922364 XVANYGASWGWYSJ-UHFFFAOYSA-N 304.365 3.491 10 10 DGCE CC[C@H]1CN[C@H](C)CN1c1ccc(OC)c(Br)c1 88330950 JOTCDHCLJQMBAV-MNOVXSKESA-N 313.239 3.034 10 10 DGCE Oc1c(Br)cc(Cl)cc1CN1CC[C@@H](F)C1 708214451 ABTXODHAYXCJRN-SECBINFHSA-N 308.578 3.352 10 10 DGCE O=[N+]([O-])c1ccc(NNC(=S)Nc2cccc(F)c2F)cc1 1319447085 XXSXDIJPMMURSQ-UHFFFAOYSA-N 324.312 3.187 10 10 DGCE Cc1ccc2snc(C(=O)NCc3c(O)cccc3F)c2c1 1178412568 AKVLBTUMCSFJRM-UHFFFAOYSA-N 316.357 3.379 10 10 DGCE O=C(NCc1c(O)cccc1O)c1cc2cc(Cl)ccc2[nH]1 1178911034 JNILPEBWQKQHJU-UHFFFAOYSA-N 316.744 3.163 10 10 DGCE C[C@@H](CO)N(Cc1ccccc1)c1ccc(CO)c(C2CC2)c1 1901155522 BTZTZBQWLSNKPG-HNNXBMFYSA-N 311.425 3.444 10 10 DGCE CC(=O)N1CCN(/N=N/c2cc(Cl)cc(Cl)c2)CC1 1860482651 MKAMTDBCHQCJFW-FOCLMDBBSA-N 301.177 3.156 10 10 DGCE CN(C)c1ccc(CNC(=O)C23CCC(CC2)CC3)cc1F 1519265878 NLZHCMNHWCCXIX-UHFFFAOYSA-N 304.409 3.478 10 10 DGCE Cc1[nH]c2ccc(CNC(=O)Cc3ccc(O)c(O)c3)cc2c1C 1292231048 IIPBZUZJXFSZFV-UHFFFAOYSA-N 324.380 3.055 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C)CC(C)(C)O)cc1 1468152864 IJOFGNCUWNNRLB-CYBMUJFWSA-N 314.429 3.373 10 10 DGCE C(=C\c1ccccc1)\CNCc1ccc(N2CCOCC2)cc1 1620746764 ZOGKPPQBRUFSDQ-DAXSKMNVSA-N 308.425 3.326 10 10 DGCE Cc1ccccc1-n1c(C)cc(C(=O)N[C@H]2COC[C@H]2C)c1C 1558473885 PONODVCLPGLTID-DYVFJYSZSA-N 312.413 3.167 10 10 DGCE C[C@@H](NC(=O)[C@@H]1CCOc2c(F)cccc21)c1ccccc1O 1557967653 IPCZHQVQJIJQPH-BXUZGUMPSA-N 315.344 3.275 10 10 DGCE O=C1C[C@H](C(=O)NCc2cccc(Cl)c2O)c2ccccc21 1558757521 IBJARSYQLGTDRB-ZDUSSCGKSA-N 315.756 3.032 10 10 DGCE CCc1ccc(C(C)(C)CNC(=O)c2cccc(O)c2O)cc1 1566192697 KIMRYONDWKFHJH-UHFFFAOYSA-N 313.397 3.368 10 10 DGCE C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(F)cc1Cl 1637639531 CRZYWFGQVBGTMP-SECBINFHSA-N 323.751 3.310 10 10 DGCE COc1ccc(CNCCCN(C)C(=O)C2CCCC2)cc1C 1733085857 BVGKLNJKOKHQTP-UHFFFAOYSA-N 318.461 3.132 10 10 DGCE Cc1cc(C)cc(-n2c(C)cc(C(=O)N3CCCCN3)c2C)c1 1640262841 MEGQZTDXOGRPKN-UHFFFAOYSA-N 311.429 3.452 10 10 DGCE Cc1cc(CN=c2cc[nH]cc2[N+](=O)[O-])c(C)n1-c1ccccc1 1643040030 FDCNLTMAYPPTMZ-UHFFFAOYSA-N 322.368 3.431 10 10 DGCE COc1cccc2[nH]cc(CC(=O)N[C@H](C)c3ccccc3O)c12 1587447736 ZZUKELCUUJOEIW-GFCCVEGCSA-N 324.380 3.302 10 10 DGCE Cc1cccc2c1CCC[C@H]2NC(=O)Cc1ccc(O)c(O)c1 1585581556 NBNUIKVXXZRZAR-MRXNPFEDSA-N 311.381 3.143 10 10 DGCE CN(Cc1ccccc1O)C(=O)c1cccc(C(F)(F)F)c1N 1588156214 PWNMBCGCXHRVTN-UHFFFAOYSA-N 324.302 3.265 10 10 DGCE CN(CCN=[N+]=[N-])[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 1962299766 OPUVEIKWWUMBLQ-CHWSQXEVSA-N 311.430 3.312 10 10 DGCE CC(C)(C)OC(=O)N1CCN(c2ccc(N)cc2)C2(CCC2)C1 1977933494 JOFNSHFDXHVQOQ-UHFFFAOYSA-N 317.433 3.249 10 10 DGCE Cc1ccc(S(=O)(=O)Nc2ccc(O)c(F)c2)c(Cl)c1 2145852641 BYQMFDTZVLOXKJ-UHFFFAOYSA-N 315.753 3.294 10 10 DGCE COc1ccc(CN[C@H]2CC[C@@H]2NC(=O)OC(C)(C)C)cc1C 1986711008 AAGLUOXMHWNACC-GJZGRUSLSA-N 320.433 3.149 10 10 DGCE CN(C)c1ccc([C@H](N)[C@@H]2CCN(Cc3ccccc3)C2)cc1 1988156972 BYUKVIPRAXVJTN-QUCCMNQESA-N 309.457 3.275 10 10 DGCE CS[C@H]1C[C@@H](CNCc2ccc(Br)cc2O)C1 2016147198 GGWQMDJGZMBGQW-WVSHTKLVSA-N 316.264 3.386 10 10 DGCE COCCNCc1cnc(SCc2ccccc2C)s1 2155334570 ODDLWQYLDCIKFH-UHFFFAOYSA-N 308.472 3.480 10 10 DGCE C[C@H](N)c1ccc(N2CC(C(F)F)C2)cc1Br 706438602 UOPIWTZMCSPGGG-ZETCQYMHSA-N 305.166 3.170 10 10 DGCE C[C@H](N[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c1ccc(O)cc1O 381666843 BGUKIIQIZUDNFV-TUAOUCFPSA-N 324.421 3.050 10 10 DGCE Cc1cc(CNCc2cc3c(cc2O)OCO3)sc1Cl 2165339065 YGRBBKXSQZVDAL-UHFFFAOYSA-N 311.790 3.434 10 10 DGCE C[C@@H](c1c(O)cccc1F)n1nc(C2CCC2)cc1C(=O)O 2069860632 LQGKZXLDNMDSFP-VIFPVBQESA-N 304.321 3.303 10 10 DGCE CCOC(=O)c1cc(CC)nn1[C@H](C)c1c(O)cccc1F 2069893053 YLXDEDRNXHLYHD-SNVBAGLBSA-N 306.337 3.076 10 10 DGCE CN[C@H](C)c1cc(F)c(N2CCP(C)(=O)CC2)c(F)c1 2194690389 OIORDEVFMDYCQE-SNVBAGLBSA-N 302.305 3.058 10 10 DGCE CN[C@@H](C)c1cc(F)c(N(C)C[C@@H]2CCSC2)c(F)c1 2194695832 YAYRPTMWVLUPKR-QWRGUYRKSA-N 300.418 3.435 10 10 DGCE CNCc1ccc(N2C[C@H]3[C@@H](C)C[C@H]3C2)cc1Br 2085508341 UQDQCEFCPZEGCU-JKOKRWQUSA-N 309.251 3.261 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)c2ncc(Cl)cc2Cl)C1 2107114911 UDNLOXVKOYYVRU-QMMMGPOBSA-N 300.149 3.303 10 10 DGCE C[C@H](NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCC[C@H]1O 2111562144 XNKCDTSMAGOIHJ-LJUAHTATSA-N 304.217 3.338 10 10 DGCE COc1ccc(Br)c(CNC[C@H]2C[C@H](F)C2)c1O 2220463243 YHACVVFTXWANLI-KYZUINATSA-N 318.186 3.001 10 10 DGCE CNCc1ccc(N2CCC[C@H]2COC(F)F)c(Cl)c1 2236745754 FEXFENPHUJJKIY-NSHDSACASA-N 304.768 3.267 10 10 DGCE COc1ncc(CN(C)c2ccc([C@@H](C)O)c(Cl)c2)s1 2239980112 GBRQPUIPFHQMLM-SECBINFHSA-N 312.822 3.495 10 10 DGCE COc1cccc(C=C2SC(=S)N(C(C)C)C2=O)c1O 2297478066 USJZPPKZJGFWOK-UHFFFAOYSA-N 309.412 3.010 10 10 DGCE COc1ccc(O)c(CNC(=O)CC=Cc2cccc(F)c2)c1 2297803366 QUHPLIZOJDBIES-UHFFFAOYSA-N 315.344 3.260 10 10 DGCE COC(=O)CCN(C(=O)C=C(C)c1cccnc1)c1ccccc1 2324706119 LPMSORMPDAUWCU-UHFFFAOYSA-N 324.380 3.081 10 10 DGCE CCCOC(=O)c1cccc(N=NN2CCC(C(=O)O)CC2)c1 2330232957 OURDGRJPLCQTOH-UHFFFAOYSA-N 319.361 3.049 10 10 DGCE CN1CCCc2cc(CNC(=O)CCc3ccccc3O)ccc21 58768889 KVAJNOMQLJHJHE-UHFFFAOYSA-N 324.424 3.024 10 10 DGCE [N-]=[N+]=N[C@@H](CO)c1cc(I)ccc1Cl 1951369642 VPYASTNOLAVAIN-QMMMGPOBSA-N 323.521 3.288 10 10 DGCE Nc1ccc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)cc1 36283935 SPHHPBVXZUINDZ-MDZDMXLPSA-N 308.790 3.335 10 10 DGCE Cc1ccc2[nH]c(C(=O)NCc3ccc(O)c(O)c3)c(C)c2c1 182543959 BDJZUUMSFKYQRH-UHFFFAOYSA-N 310.353 3.126 10 10 DGCE CCN(/C=C1/SC(=S)N(c2ccc(OC)cc2)C1=O)CC 98064512 HAXOHSVDCQVYOK-JLHYYAGUSA-N 322.455 3.243 10 10 DGCE CC[C@](CCCSc1nccs1)(NC(C)C)C(=O)O 234177413 KWBMEZUVUSUWDJ-CYBMUJFWSA-N 302.465 3.247 10 10 DGCE CCO[C@@H]1C[C@@H](N[C@H](C)c2ccc(F)cc2O)C12CCOCC2 248638895 MIYXPIWMMFSLGS-CSMYWGQOSA-N 323.408 3.156 10 10 DGCE O=C(/C=C\c1ccc(N2CCOCC2)cc1)OCc1ccccc1 255169399 XRHQQNCTVSSBTE-FLIBITNWSA-N 323.392 3.280 10 10 DGCE COc1cc(NS(=O)(=O)c2c(C)cc(C)cc2C)ccc1O 280524293 GBGQOJUCOFHHPL-UHFFFAOYSA-N 321.398 3.127 10 10 DGCE O=C1OCCN1c1ccc(CN[C@H]2CCc3cccc(O)c32)cc1 296331881 GKDZSHGNRAMHHU-INIZCTEOSA-N 324.380 3.126 10 10 DGCE Nc1ncc(F)cc1OCc1sccc1Br 723401887 ZNSVPWBQWKPMEA-UHFFFAOYSA-N 303.156 3.206 10 10 DGCE CCC[C@@H](C)N(C)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] 733187211 LWNHXYIWIWLMCE-ZJNQMXKESA-N 306.362 3.406 10 10 DGCE CN(C)c1ccc(/C=C/CNCC2(N(C)C)CCCC2)cc1 835033353 FRIUTFPXVQAKIE-BQYQJAHWSA-N 301.478 3.230 10 10 DGCE CCN1CC[C@H]2CC[C@@H](C1)N2C/C=C/c1ccc(N(C)C)cc1 835029517 RAIUILPJCBTQIE-KPDZFXRVSA-N 313.489 3.324 10 10 DGCE CN(Cc1ccc(Cl)cc1)C(=O)/C=C\c1ccc(O)c(O)c1 588403240 BSVGLQMXADVRQS-UITAMQMPSA-N 317.772 3.423 10 10 DGCE COc1ccc(O)c(CNC(=O)N[C@@H]2CCCC[C@H]2C(C)C)c1 734071796 YSGNAUWOGNROFW-JKSUJKDBSA-N 320.433 3.415 10 10 DGCE C[C@H](NCc1cc(Cl)ccc1O)[C@](C)(O)c1ccccc1 846039714 REIIPMROSBTYCO-SJCJKPOMSA-N 305.805 3.431 10 10 DGCE Cc1cc(O)c(CNc2nnc([C@@H]3CCCO3)o2)c(Cl)c1 840879597 QKRRTKBPELNHLB-LBPRGKRZSA-N 309.753 3.201 10 10 DGCE COc1cccc(O)c1CN1C[C@@H](C)OC2(CCCCC2)C1 848929766 ZTLWMEBIJNFFSP-CQSZACIVSA-N 305.418 3.324 10 10 DGCE Cc1ccc(O)c([C@@H](C)NCc2cc(C(F)(F)F)nn2C)c1 926929639 YHVCKHZBFNYVHR-SNVBAGLBSA-N 313.323 3.304 10 10 DGCE CC[C@@H](N[C@@H]1Cc2ccccc2N(C)C1=O)c1ccc(C)cc1O 850500235 DTGHJCARVDGUCN-IAGOWNOFSA-N 324.424 3.329 10 10 DGCE COC[C@H](CC(C)(C)C)NC(=O)N[C@@H](C)c1ccccc1O 868752532 POCJLYRQPXXYOS-STQMWFEESA-N 308.422 3.204 10 10 DGCE Cc1ccc(O)c(CN(Cc2ccc(N(C)C)cc2)C2CC2)n1 768257538 LLWFSQIIZROHTF-UHFFFAOYSA-N 311.429 3.326 10 10 DGCE CCN(CC)c1ccc(CN[C@@H](CO)c2ccsc2)cc1 769934645 NFJGKELLXPGMSW-KRWDZBQOSA-N 304.459 3.418 10 10 DGCE Cc1ccc(-n2cccn2)cc1NC(=O)NCc1ccccc1O 789406393 VNKKDOPOEJDXLM-UHFFFAOYSA-N 322.368 3.208 10 10 DGCE CS[C@@H]1CC[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 896697673 WYEBSSBKSYYUQM-NXEZZACHSA-N 323.439 3.326 10 10 DGCE CNC(=O)C[C@@H](N[C@H](C)c1ccc(C)cc1O)c1ccccc1 795849978 SAUQBMALZZTGKC-RHSMWYFYSA-N 312.413 3.229 10 10 DGCE CCN(CC)c1ccc(CNC(=O)c2cccc(C)c2O)cc1 1136300257 KETGRDYATCUXAQ-UHFFFAOYSA-N 312.413 3.477 10 10 DGCE C[C@@]12CCN(Cc3c(O)ccc4ccncc34)C[C@H]1C2(F)F 793535502 XDUOLLOKUIPUQS-HZPDHXFCSA-N 304.340 3.418 10 10 DGCE COc1ccc(CNC(=O)/C(C)=C\c2ccc(C)cc2)c(O)c1 794389678 CDKANJNPFCRYOA-UVTDQMKNSA-N 311.381 3.429 10 10 DGCE COc1ccc2c(c1)CCN2Cc1ccc(N(C)C(C)C)nc1 792163465 XAERTSDVGAXYGS-UHFFFAOYSA-N 311.429 3.498 10 10 DGCE CCN(CC)c1ccc(CN[C@@H]2CCN(C)[C@H]3CCC[C@H]32)cc1 796694290 KZNPKPNRUFKILB-ZCNNSNEGSA-N 315.505 3.495 10 10 DGCE C[C@@H](NCc1cc(Br)no1)c1ccc(F)cc1O 718888620 ZGEVHMHPGRJGLX-SSDOTTSWSA-N 315.142 3.133 10 10 DGCE [N-]=[N+]=NCCCN1CCN(Cc2ccccc2)CC(F)(F)C1 1912188857 RASOULDDURLJQJ-UHFFFAOYSA-N 309.364 3.140 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccccc1O 1299479721 ZGHFAPZHGRXNEJ-AWEZNQCLSA-N 312.413 3.128 10 10 DGCE CC(C)(C)OC(=O)Nc1ccc([C@@H](N)C(F)(F)F)c(O)c1 1536004645 IQXDGDNHCGIYRL-SNVBAGLBSA-N 306.284 3.301 10 10 DGCE C[C@H]1CC[C@H](Nc2ccccc2N)CN1C(=O)OC(C)(C)C 1959358652 DBXAOJJISSIYPQ-STQMWFEESA-N 305.422 3.469 10 10 DGCE CC[C@H](CCNC(=O)OC(C)(C)C)[C@@H](N)c1ccccc1O 1926036687 VPIVOKJHHKQCJN-IUODEOHRSA-N 308.422 3.333 10 10 DGCE CSC1(CNC(=O)c2c(F)ccc(O)c2O)CCCCC1 1639062691 ZHJQMEXZTPCHJR-UHFFFAOYSA-N 313.394 3.033 10 10 DGCE O=C(/C=C\c1ccc(Cl)nc1)NCc1cc(Cl)ccc1O 1583820770 LHPGMFNAGPTGNN-KXFIGUGUSA-N 323.179 3.424 10 10 DGCE c1ccc(NCCCNCc2ccc(N3CCCC3)cc2)nc1 1661643167 VKXVIDVZAWYWLB-UHFFFAOYSA-N 310.445 3.274 10 10 DGCE COc1ccc(CN[C@@H](C)[C@@H](C)NC(=O)CCC2CC2)cc1C 1674647267 NUFZRQOITSVFKK-LSDHHAIUSA-N 318.461 3.177 10 10 DGCE O=C(NCC[C@@H]1C[C@H]2C=C[C@H]1C2)NCc1cccc(Cl)c1O 1683463551 XMELOMNNRJCZCM-RWMBFGLXSA-N 320.820 3.447 10 10 DGCE CCCOC(=O)c1cccc(/N=N/N2C[C@H](C)O[C@@H](C)C2)c1 1860486941 RCFVSRUKOXVRDH-SBJXPDJQSA-N 305.378 3.361 10 10 DGCE Cc1[nH]c(=N[C@H](C)c2ccccc2O)c(Br)cc1N 1877588992 UTPLEDYQBFZJPT-MRVPVSSYSA-N 322.206 3.035 10 10 DGCE CN(C)c1ccc([C@@H](N)[C@H](NC(=O)OC(C)(C)C)C2CC2)cc1 1977944647 ITSQNTJUEFZEGV-HZPDHXFCSA-N 319.449 3.056 10 10 DGCE CC(C)(O)CN(Cc1ccccc1)c1ccc2c(c1)CC[C@@H]2O 1986602188 BURJPKCGUDVDKS-IBGZPJMESA-N 311.425 3.444 10 10 DGCE COc1cc(Cl)cc(CN[C@]2(C)C[C@H]2C(F)(F)F)c1O 2158621474 PXKURIHFWLWHNT-ZYHUDNBSSA-N 309.715 3.485 10 10 DGCE C[C@@]1(C(F)F)C[C@H]1NCc1cccc(Br)c1O 2008230648 PIXPEXUCPNDLKV-BXKDBHETSA-N 306.150 3.288 10 10 DGCE Cn1cc(C=CC(=O)N2CCSc3ccc(Cl)cc32)cn1 2040969003 JCRXMHNYBPGMLA-UHFFFAOYSA-N 319.817 3.226 10 10 DGCE C[C@@H](NCc1ccc(Br)o1)c1cc(O)ccc1O 378936274 DGLVJLFIDZWLKL-MRVPVSSYSA-N 312.163 3.304 10 10 DGCE CC1CC(CNCc2cc(Br)cc(F)c2O)C1 715716606 HHBQHYXUPKQPFF-UHFFFAOYSA-N 302.187 3.430 10 10 DGCE CCCNCc1ccc(N(C)[C@@H](C)C[S@@](C)=O)cc1Cl 398893254 NQPVMINQDRHPSP-FKIZINRSSA-N 316.898 3.043 10 10 DGCE COc1ccc(O)c([C@@H](C)n2nccc2C(=O)OC(C)(C)C)c1 2069969218 YUBYWUNVJPBBKE-LLVKDONJSA-N 318.373 3.162 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN(Cc2ccc(Br)nc2)C1 2044764727 PXBGKGYFZTXABQ-JTQLQIEISA-N 310.199 3.366 10 10 DGCE CCN=c1nc(Sc2nccs2)c2c([nH]1)CC(C)(C)C2 2202152875 LZUPEGQBPWCJEM-UHFFFAOYSA-N 306.460 3.063 10 10 DGCE C[C@@H](c1ccc(Cl)cc1O)N1CCO[C@@](C)(C(F)F)C1 2203362094 MQVKRXOUQBZVFE-LKFCYVNXSA-N 305.752 3.463 10 10 DGCE CSCC1(CN(C)Cc2ccc(N)cc2)CC(F)(F)C1 2289813849 XUCNRZDHXICYLB-UHFFFAOYSA-N 300.418 3.479 10 10 DGCE CC1=NN(c2ccc(C(=O)O)cc2)C(=O)C1=Cc1cccs1 2297311659 PUKRTSOVAYQRPV-UHFFFAOYSA-N 312.350 3.252 10 10 DGCE COc1ccc(N2CC3(CC(F)C3)C2)cc1Br 2301543308 YELKDXCVMUEQOV-UHFFFAOYSA-N 300.171 3.396 10 10 DGCE CCC(=O)c1cccc(NC(=O)C=Cc2ccc(O)c(O)c2)c1 2308001903 BMFQJTLSLAHLOV-UHFFFAOYSA-N 311.337 3.342 10 10 DGCE COc1ccc(N=NN2CCN(C(=O)OC(C)(C)C)CC2)cc1 2330173039 GDKDTVLVMVKOCB-UHFFFAOYSA-N 320.393 3.247 10 10 DGCE COc1ccc(CNc2ccc(Br)c(O)c2)c(O)c1 2344288290 KSDFEWIHMUDWIS-UHFFFAOYSA-N 324.174 3.481 10 10 DGCE COc1cccc(N2C(=O)/C(=C\c3ccc[nH]3)SC2=S)c1 27231298 SEQZKWSHJNIFOQ-MDWZMJQESA-N 316.407 3.429 10 10 DGCE COc1cc(Br)cc(CNCc2ccccc2)c1O 76276047 HIWBCHQZOFJAOI-UHFFFAOYSA-N 322.202 3.453 10 10 DGCE Nc1ccc(CCCSc2nnnn2C2CCCC2)cc1 122873019 ODMBARWFZKNLLE-UHFFFAOYSA-N 303.435 3.095 10 10 DGCE CC(=O)Nc1ccc(NCc2cccc(O)c2O)cc1Cl 41117078 GANKWCQIPCGKFP-UHFFFAOYSA-N 306.749 3.322 10 10 DGCE C[C@@H](c1cc(Br)ccc1O)N(C)Cc1nccn1C 134107846 YGBDREVLNQJQDS-JTQLQIEISA-N 324.222 3.081 10 10 DGCE C[C@H](N[C@H](CC(=O)O)c1cccs1)c1cc(F)ccc1O 94617429 WCCAJJUGQJQNOB-JOYOIKCWSA-N 309.362 3.459 10 10 DGCE CCCOc1ccc(CN(C)[C@H]2CCN(CC)C[C@H]2C)c(O)c1 245728544 JFGBYZKUDBPBRK-QAPCUYQASA-N 320.477 3.343 10 10 DGCE CCOc1ccc(O)c(CN2CCC[C@@H]2c2cn(C)nc2C)c1 373175200 FQEIHOYAMHGNKU-QGZVFWFLSA-N 315.417 3.170 10 10 DGCE CC[C@H](C)[C@@H](O)[C@H](N)c1ccc(OCc2ccccc2)cc1O 396760108 KPKTVZPTGHAEON-MJXNMMHHSA-N 315.413 3.378 10 10 DGCE CC[C@@H](C)[C@@H](NC(=O)c1ccccc1C(=O)N=N)/C(O)=C\N=N 575116338 UIKXJFWUZGAGQF-VPUMFLGQSA-N 317.349 3.433 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)NCC1CCC(F)CC1 828374935 ZEFCWXCUVOVZOM-UHFFFAOYSA-N 321.440 3.422 10 10 DGCE C[C@H]1c2ccccc2C[C@H]1NC(=O)N(C)Cc1ccccc1O 821353402 UNZAMBSXIIYJDF-SUMWQHHRSA-N 310.397 3.262 10 10 DGCE Cc1cnccc1/C=C\C(=O)NCc1ccc(N(C)C)cc1C 825980439 CTOLWIOGIAGFEM-VURMDHGXSA-N 309.413 3.094 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCC=CCCC1 907274073 OJTGVWDHGHFUKW-DZGCQCFKSA-N 303.402 3.282 10 10 DGCE C[C@H](NC[C@H]1CC[C@H](C(F)(F)F)O1)c1cc(F)ccc1O 903179555 QHACUBDEGYBBHV-IYYTYJHQSA-N 307.287 3.292 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@@H](CO)c2ccsc2)cc1 835045864 DXTJIUVDJCYQKE-LIMHQNJXSA-N 302.443 3.151 10 10 DGCE CCOc1ccc(CN[C@H](C)[C@@H]2C[C@H](C(=O)O)C2(C)C)c(O)c1 848640908 VXLREZMVCZESBA-BYCMXARLSA-N 321.417 3.016 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H](N)[C@H]1c1c(O)cccc1Cl 1952365092 NEHGICKKBBRBCD-MFKMUULPSA-N 312.797 3.055 10 10 DGCE Cc1ccc(O)c([C@@H]2C[C@@H](N)CCN2C(=O)OC(C)(C)C)c1 1952150511 ZDZKWPWXQRGYSM-JSGCOSHPSA-N 306.406 3.100 10 10 DGCE COc1ccc(N2CCN(CC3C[C@H]4[C@H](C3)C4(F)F)CC2)cc1 929152869 HGGUPNBNIBKTRA-IRXDYDNUSA-N 322.399 3.109 10 10 DGCE CC[C@H](N[C@@H](COC)C1CCOCC1)c1ccc(C)cc1O 850494748 XXXJSMFCZAMDEU-IRXDYDNUSA-N 307.434 3.183 10 10 DGCE Cc1ccccc1NNC(=S)Nc1ccc2c(c1)OCCO2 753789311 MNYCEDWZXZJTPN-UHFFFAOYSA-N 315.398 3.080 10 10 DGCE Cc1ccc([C@H](C)NC[C@H]2CC3(CCOCC3)CO2)c(O)c1C 866533749 VBCFZRSAMGITCI-JKSUJKDBSA-N 319.445 3.245 10 10 DGCE COc1cccc([C@H](C)NCc2cccc3c2CCOC3)c1O 866478136 FAMHXHJKZRYCEH-ZDUSSCGKSA-N 313.397 3.324 10 10 DGCE C[C@H](NCc1ccc(C2(C)OCCO2)cc1)c1ccccc1O 866422213 LKAMVYGYDGVVBX-AWEZNQCLSA-N 313.397 3.463 10 10 DGCE CO[C@@H](C)c1nc(C)c(C(=O)N2Cc3cccc(O)c3C2)s1 871203704 QKRJOUVBWHQRSP-JTQLQIEISA-N 318.398 3.021 10 10 DGCE Cc1cc(Cl)cc([C@H](C)NCCC[C@H]2CCOC2=O)c1O 872111280 CAXZNUJAUDJVSI-RYUDHWBXSA-N 311.809 3.348 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)NCC[C@H]2CCCC2(F)F)cc1 899203402 MHTGBKLHOSISCN-LLVKDONJSA-N 324.331 3.404 10 10 DGCE C[C@H]1CCN(Cc2cc(Br)ccc2O)C[C@@H](C)O1 694863513 ANAYFNCDGUZQFW-WDEREUQCSA-N 314.223 3.154 10 10 DGCE CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C/Nc1c(C)n[nH]c1C 1084590590 IQLJUTWMLSIIFH-OQLLNIDSSA-N 323.400 3.362 10 10 DGCE C[C@H](NC(=O)COC/C=C\c1ccccc1)c1ccccc1O 1171730243 MTYBWCIBFXAIPZ-XMELGKRDSA-N 311.381 3.299 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)c2ccccc2Br)C1 1912189333 UDJVMWFQIILOSJ-VIFPVBQESA-N 309.167 3.222 10 10 DGCE CCON(CC1CCCCC1)C(=O)/C=C\c1ccc(O)c(O)c1 1468868659 GGFNCKXLTTYEDI-LUAWRHEFSA-N 319.401 3.471 10 10 DGCE Cc1ccc(C[C@H](C)N(C)C(=O)Cc2ccc(O)c(O)c2)cc1 1618023276 BKYWCYMIXKJUAL-AWEZNQCLSA-N 313.397 3.038 10 10 DGCE COc1ccc(N(C)CCN(C)C2CC(OC(C)(C)C)C2)cc1 1559966708 JAGGSPJAEWZNHH-UHFFFAOYSA-N 320.477 3.409 10 10 DGCE O=C(CCOc1cccc(F)c1)NCc1cc(Cl)ccc1O 1632223548 LJKOCEYLKGCEKR-UHFFFAOYSA-N 323.751 3.270 10 10 DGCE Cc1cc2ccccc2nc1C(=O)N1Cc2cccc(O)c2C1 1632709041 KOVOKJGGZBIWLD-UHFFFAOYSA-N 304.349 3.405 10 10 DGCE COC(=O)c1cc(OCc2ccc(OC)cc2)ccc1N(C)C 1644178983 JVSTVFFVBHIFSO-UHFFFAOYSA-N 315.369 3.127 10 10 DGCE CCN(C[C@@H](C)[C@@H](N)c1ccccc1O)C(=O)OC(C)(C)C 1928469111 DQOFBSVWUDFNBB-IUODEOHRSA-N 308.422 3.285 10 10 DGCE CCN(C(=O)OC(C)(C)C)[C@@H](C)CNCc1ccc(N)cc1 1929714992 PSVXVQIKIPAGDZ-ZDUSSCGKSA-N 307.438 3.004 10 10 DGCE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNc1ccc(N)cc1 1959364959 OSKYEZSMAUAPLX-WFASDCNBSA-N 305.422 3.326 10 10 DGCE CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C\NCC(C)C 18043012 NJSLCTJIRVXXSZ-XFXZXTDPSA-N 314.414 3.148 10 10 DGCE O=C(O)C1CCN(/N=N/c2ccc(N3CCCC3)cc2)CC1 1860485665 SMKJXFFPAASPGE-ISLYRVAYSA-N 302.378 3.082 10 10 DGCE CCC1=NN(c2ccccn2)C(=O)/C1=C/c1ccccc1OC 1865679240 CHUNBBPJIKGISQ-WYMLVPIESA-N 307.353 3.286 10 10 DGCE C[C@H](N[C@@H]1CC[C@H]1OCc1ccccc1)c1ccc(O)cc1O 1939572864 ASFMWKBMLZWKAF-BOFPYLFWSA-N 313.397 3.496 10 10 DGCE CCC[C@@H](CNCc1ccccc1O)CNC(=O)OC(C)(C)C 1938148863 GLRBMCMJYQUHCG-AWEZNQCLSA-N 322.449 3.423 10 10 DGCE Cc1ccc(NC(=O)CNCc2cc(Cl)ccc2O)cc1F 1857858368 TYTBBXYYQYCRCS-UHFFFAOYSA-N 322.767 3.221 10 10 DGCE CC1(C)COCCN(Cc2cccc(Br)c2O)C1 1967782855 QUXAIGQABLHASQ-UHFFFAOYSA-N 314.223 3.013 10 10 DGCE CP(C)(=O)[C@H]1CC[C@@H](NCc2cc(F)cc(F)c2O)C1 1973922381 BJUUEGUQMCABDD-NEPJUHHUSA-N 303.289 3.304 10 10 DGCE C[C@@H]1C[C@H](NCc2ccc(N)cc2)CN(Cc2ccccc2)C1 1986355132 FMJQITVAAPNACY-UZLBHIALSA-N 309.457 3.269 10 10 DGCE O=[N+]([O-])c1cc(N(Cc2ccccc2)CC(F)F)ccc1CO 1987991132 BJSQKOHRUSNIGH-UHFFFAOYSA-N 322.311 3.359 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@H](Oc1ccc(N)cc1)C2 1992448217 ZUDGYYKKEGTIRJ-HEHGZKQESA-N 318.417 3.293 10 10 DGCE Cc1ccc([C@@H](NN)c2ccccc2O)cc1Br 2029545798 WFOCBNGWQNJFQW-CQSZACIVSA-N 307.191 3.016 10 10 DGCE CCNCc1ccc(N2CC(C3CC3)C2)c(Br)c1 2036151465 RKLKTSLRVTUXGW-UHFFFAOYSA-N 309.251 3.405 10 10 DGCE CO[C@@H]1CC[C@@H](C)N(Cc2cccc(Br)c2O)C1 687217329 RHTGBGQYNYEDIA-ZYHUDNBSSA-N 314.223 3.154 10 10 DGCE Cc1sc(C)c(S(=O)(=O)N(C)c2ccc(N)cc2)c1C 722601270 PIYYAZVLHWLATM-UHFFFAOYSA-N 310.444 3.081 10 10 DGCE C[C@@H](O)c1cc(F)c(N(CC(F)F)CC(F)F)c(F)c1 2194513080 AHRXCVJTWXFEAL-ZCFIWIBFSA-N 301.230 3.355 10 10 DGCE O=C(O)[C@]12CC[C@@H]1CCN2Cc1cc(Cl)cc(Cl)c1O 2201102474 QSBDNLFMVNPWRN-OTYXRUKQSA-N 316.184 3.138 10 10 DGCE CSc1ncc(Cn2c(S)nc3cc(F)cnc32)s1 2269277561 KRECFGLUQXZFMW-UHFFFAOYSA-N 312.420 3.086 10 10 DGCE C[C@H]1C[C@@H](CC(=O)O)CN1Cc1cc(Cl)cc(Cl)c1O 2285691892 ZXBABQGSBJESHD-IUCAKERBSA-N 318.200 3.384 10 10 DGCE CC(C)(C)CCN(CCO)c1cc(Cl)c(CN)cc1F 2289892606 CJSRQUXKHSHXSY-UHFFFAOYSA-N 302.821 3.173 10 10 DGCE CCn1nccc1NCc1ccc(C)c(Br)c1O 2327596796 OZPOBHAGQBVCEY-UHFFFAOYSA-N 310.195 3.292 10 10 DGCE CC[C@H](NCc1ccc(C)c(Br)c1O)c1cn[nH]c1 2352683093 DZMTVLJACIKZQQ-LBPRGKRZSA-N 324.222 3.427 10 10 DGCE CSc1cc(N(C)C2CSCCSC2)ccc1CN 2353853495 COFBCWPPTLFEMU-UHFFFAOYSA-N 314.545 3.152 10 10 DGCE CCOCc1cc(CN2CCCCC2)c(O)c2ncccc12 20439846 KUMCHJLNLJMFRJ-UHFFFAOYSA-N 300.402 3.463 10 10 DGCE CCN[C@H](C)c1ccc(N2CCOC[C@@H](F)C2)c(Cl)c1 2361809308 VGZLUUMLBDOOQL-YPMHNXCESA-N 300.805 3.185 10 10 DGCE O=C1N=C(O)/C(=C\C=C/c2ccccc2)C(=O)N1Cc1ccco1 33315440 OLQILXDIRKPXFU-JBCREXSLSA-N 322.320 3.338 10 10 DGCE Oc1ccsc1-c1nc(-c2cncc(Br)c2)no1 124543183 MSYCYAPYRDACGY-UHFFFAOYSA-N 324.159 3.328 10 10 DGCE CC[C@]1(C)C[C@@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 132980287 YYKPKPVJCCJHEY-SJLPKXTDSA-N 318.486 3.292 10 10 DGCE C[C@H](N[C@H](C)c1ccc(F)cc1O)c1nnc2n1CCCCC2 320572993 QUOKGWZOVNZGRC-NEPJUHHUSA-N 318.396 3.261 10 10 DGCE Cc1csc([C@@H](CO)N=[N+]=[N-])c1I 1951595155 QAKJVHOCWBRBSN-RXMQYKEDSA-N 309.132 3.005 10 10 DGCE CC(C)c1[nH]ncc1C(=O)NCc1c(O)ccc2c1CCCC2 193633887 MZCNFHFAZOBNRH-UHFFFAOYSA-N 313.401 3.048 10 10 DGCE COc1ccc(OC)c(/C=C2/SC(=S)N(C(C)C)C2=O)c1 96480273 WENHYDOVWDWXJZ-MDWZMJQESA-N 323.439 3.313 10 10 DGCE Cc1cc(C)cc(C[S@@](=O)CCOc2ccc(N)cc2)c1 94718930 FBMUZKNQNPXFMT-OAQYLSRUSA-N 303.427 3.213 10 10 DGCE CN(C(=O)c1csc(Br)c1)c1ccc(N)cc1 234261770 JYGKCKANIKGHPB-UHFFFAOYSA-N 311.204 3.369 10 10 DGCE C[C@H](N[C@@H]1CCO[C@@H](c2cccnc2)C1)c1ccc(F)cc1O 296599508 VLHVFTIXRJVFOU-WBHUJUFNSA-N 316.376 3.497 10 10 DGCE CCOc1ccc(O)c(CN2CCOc3cccc(F)c3C2)c1 802655791 CPFZYAAHHIITIB-UHFFFAOYSA-N 317.360 3.325 10 10 DGCE CN(C)c1ccc([C@@H](O)Cc2ccncc2Br)cc1 702864642 LPOOVFLICUNLJL-HNNXBMFYSA-N 321.218 3.186 10 10 DGCE Cc1cc(O)c(CN2CC(O)(c3ccc(Cl)cc3)C2)cc1C 811509166 KYDNCDRSCKNBDM-UHFFFAOYSA-N 317.816 3.366 10 10 DGCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCC[C@H]3C)CC2)cc1 819003188 AOXODRTXTLSBSZ-CRAIPNDOSA-N 316.445 3.170 10 10 DGCE Oc1cc(F)c(Cl)cc1CNC[C@@H]1COc2ccccc2O1 816530925 AIFXARGTBKNNND-LLVKDONJSA-N 323.751 3.114 10 10 DGCE Cc1cc(C(=O)N[C@H](C)[C@H](C)N)c(C)n1-c1cccc(Cl)c1 834822332 WXVCFNWWZMBHJN-NWDGAFQWSA-N 319.836 3.213 10 10 DGCE c1cc(N2CCCC2)ccc1CN[C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@H]12 902742287 NBYNQBMTYCAVLA-WKWVNEEDSA-N 312.457 3.190 10 10 DGCE COc1cc(Cl)cc(CN2CCO[C@H](C3CCC3)C2)c1O 840955289 TWNBWJVTFZRIML-HNNXBMFYSA-N 311.809 3.055 10 10 DGCE COc1ccc(N(C)Cc2csc(N(C)C3CC3)n2)cc1 844352712 DLEINWNPKGYIDF-UHFFFAOYSA-N 303.431 3.387 10 10 DGCE COc1cccc(C(C)(C)C(=O)NCc2c(O)cccc2F)c1 928710903 XIOATQUPOIJAHH-UHFFFAOYSA-N 317.360 3.134 10 10 DGCE COc1cccc([C@@H](C)N[C@H](C)Cc2c(C)nn(C)c2C)c1O 846143442 BTNFWBKSJXKJCA-VXGBXAGGSA-N 317.433 3.033 10 10 DGCE CCN(CC)c1ccc(CNCc2cc(N(C)C)ccn2)cc1 922478655 AXDDWUIMLOWQCQ-UHFFFAOYSA-N 312.461 3.284 10 10 DGCE C[C@H](NCCO[C@@H]1CC1(F)F)c1cc2c(cc1O)CCCC2 850520880 HXRQIGCBCCQEEW-MEDUHNTESA-N 311.372 3.346 10 10 DGCE COC[C@@H](CN(Cc1ccco1)c1ccc(OC)c(F)c1)OC 851848468 LYEYDZKCVZEOQU-OAHLLOKOSA-N 323.364 3.095 10 10 DGCE CN(C)c1ccc(CN(Cc2cc(Cl)n(C)n2)C2CC2)cc1 859081820 LENZKWXMQVGZNK-UHFFFAOYSA-N 318.852 3.304 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@@H](C)c3c(C)noc3C)C2)cc1 926680212 KZWOGJUJYHFODS-SWLSCSKDSA-N 315.417 3.230 10 10 DGCE CN(C)[C@H]1CCc2ccccc2N(C(=O)/C=C/c2cccnc2)C1 857932782 WBBMNSSQPZWQTI-PEKVBPLLSA-N 321.424 3.004 10 10 DGCE CN(C)CCOc1ccc(N(C)Cc2ccc3c[nH]nc3c2)cc1 761221913 GGVPEYVCPVZPPI-UHFFFAOYSA-N 324.428 3.140 10 10 DGCE CCOc1ccc(CN2CCC(CN(CC)CC)CC2)c(O)c1 768301809 BOIKIZLZIMVJQT-UHFFFAOYSA-N 320.477 3.345 10 10 DGCE CCOCc1cc(CN[C@@H](CO)c2ccsc2)ccc1OC 769931899 FPPSUPUSKOSYJS-INIZCTEOSA-N 321.442 3.116 10 10 DGCE Oc1c(F)cc(Br)cc1CNC1CC2(CC2)C1 1948154496 BHPVRBDUPNKVTM-UHFFFAOYSA-N 300.171 3.326 10 10 DGCE C[C@H](NC(=O)c1ncccc1Br)c1ccccc1O 1454819348 QOIYMHJTVKVEKH-VIFPVBQESA-N 321.174 3.041 10 10 DGCE Oc1ccc2ccncc2c1CN1CC[C@H](Cc2ccncc2)C1 782291420 SMIRCUJRFMDFNA-MRXNPFEDSA-N 319.408 3.400 10 10 DGCE O=C1CCC[C@@H](c2cccc(NC(=O)c3cc(O)cs3)c2)N1 899803915 WWSVXPPURBHVCM-ZDUSSCGKSA-N 316.382 3.047 10 10 DGCE c1cc2c(cc1CN[C@@H]1CCCC[C@H]1[C@@H]1CCOC1)CCO2 788983648 CVRDYFDQLDRTOX-FGTMMUONSA-N 301.430 3.306 10 10 DGCE CC(C)N1[C@H]2CC[C@H]1CN(Cc1cc(F)cc(F)c1O)CC2 894050271 NUWSBWXSIBGTIU-GJZGRUSLSA-N 310.388 3.118 10 10 DGCE CC(=O)Nc1cccc(-c2nccn2Cc2ccc(N)cc2)c1 82735737 XDYHWSIPMVSAJP-UHFFFAOYSA-N 306.369 3.139 10 10 DGCE C[C@@H](c1cc(O)ccc1O)N(CCC(=O)O)Cc1ccccc1 701263834 FFDFVWGMGYQVDX-ZDUSSCGKSA-N 315.369 3.136 10 10 DGCE Oc1cccc(Br)c1CNCCc1ccccc1 706852060 KMSYIVSQKUAGPK-UHFFFAOYSA-N 306.203 3.487 10 10 DGCE Brc1cc(N2CC[C@@H]3C[C@@H]32)ccc1CNC1CC1 707088303 MKNXLEAPMZNZOY-BMIGLBTASA-N 307.235 3.300 10 10 DGCE COc1ccc(CNC(=O)C23CC(c4ccccc4)(C2)C3)c(O)c1 794381249 JPCCVWQLOBUMDZ-UHFFFAOYSA-N 323.392 3.139 10 10 DGCE Oc1c(F)cccc1CNCc1ncc(Br)s1 714937843 YJHNNHAKRWQTKH-UHFFFAOYSA-N 317.183 3.040 10 10 DGCE Oc1cccc(O)c1CNc1ncnc2cc(Cl)ccc12 1307218524 KPMZJURLEXFRQF-UHFFFAOYSA-N 301.733 3.307 10 10 DGCE O=C(NCc1cc(O)ccc1O)[C@H]1CC[C@H](C2CCC2)CC1 1176754401 CAGSTKXVUVNXHP-HDJSIYSDSA-N 303.402 3.321 10 10 DGCE O=C(CCc1ccc(Cl)s1)NCc1c(O)cccc1O 1178912694 WQDIBVFUVNRKCS-UHFFFAOYSA-N 311.790 3.062 10 10 DGCE Cc1ccncc1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1349106333 FOIAGUBEMKMXAU-UHFFFAOYSA-N 309.413 3.262 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1C[C@H](O)C1(C)C 1448027973 NRELICAQZBMGBS-KBPBESRZSA-N 318.442 3.045 10 10 DGCE Cc1cccc(-n2c(C)cc(CNC(=O)c3cn(C)cn3)c2C)c1 1454624803 NMFANKXYPTVUET-UHFFFAOYSA-N 322.412 3.066 10 10 DGCE COc1c[nH]nc1NC(=O)c1cc(C)n(-c2ccccc2C)c1C 1469683936 IVAYZJWOZFDXTM-UHFFFAOYSA-N 324.384 3.387 10 10 DGCE CCOC(=O)c1ccccc1N(C)C(=O)/C(C)=C/c1cccnc1 1537331265 DHLSZNKVHDWYRS-WYMLVPIESA-N 324.380 3.325 10 10 DGCE O=C(c1cccc(O)c1O)N1CCS[C@H](c2ccccc2)C1 1628636742 YYQCTVRWLJQULP-HNNXBMFYSA-N 315.394 3.028 10 10 DGCE C[C@@H](C(=O)NCc1c(O)cccc1F)c1c(F)cccc1F 1558455816 ZIIUTMWCHHSXCG-SECBINFHSA-N 309.287 3.229 10 10 DGCE O=C(NCc1ccccc1O)NC[C@H]1CSc2ccccc21 1564813396 JQLGYRDRJJLYDN-ZDUSSCGKSA-N 314.410 3.081 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H]2[C@H]1[C@@H]2Nc1ccccc1N 1959364788 GGYYUHGJNHJDLW-DFBGVHRSSA-N 303.406 3.079 10 10 DGCE CNCc1ccc(N2CC[C@@H](N3CCCCC3)C2)c(Cl)c1 164065709 SPPJUVTXBGYVNJ-OAHLLOKOSA-N 307.869 3.124 10 10 DGCE CC[C@@H]1CN(c2ccc(CNCCOC)cc2C)CCS1 157796083 RJWXLOTVPVTSRM-MRXNPFEDSA-N 308.491 3.063 10 10 DGCE Nc1ccc(NC(=O)C2=NO[C@H](c3ccccc3Cl)C2)cc1 586033522 GJPDTNFAFZLPKC-HNNXBMFYSA-N 315.760 3.378 10 10 DGCE CCCCn1ccc(=O)c(OCc2ccc(N)cc2)c1CC 1857913602 PVVNWIVMYQJMLF-UHFFFAOYSA-N 300.402 3.372 10 10 DGCE COc1ccc(Br)c(CNC[C@@H]2CC23CC3)c1O 1964061370 ATJNAPJWTOXQJI-VIFPVBQESA-N 312.207 3.053 10 10 DGCE COc1ccc(Br)c(CN[C@@]23C=C[C@@H](CC2)C3)c1O 1971774296 AHCXGOAVMNWTFC-BONVTDFDSA-N 324.218 3.362 10 10 DGCE C[C@H]1CN(Cc2ccc(N)cc2)CC[C@@H]1NC(=O)OC(C)(C)C 1977924575 CMOQQNLCNHZRJK-BBRMVZONSA-N 319.449 3.004 10 10 DGCE [N-]=[N+]=NC1CCN(C(=O)c2cc(Br)cs2)CC1 2004867909 HSMAIISFTJWMMH-UHFFFAOYSA-N 315.196 3.426 10 10 DGCE CN(c1ccc2c(c1)CC[C@H]2O)[C@@H]1CCN(Cc2ccccc2)C1 2012705613 RBNMPXIFFSIIHA-TZIWHRDSSA-N 322.452 3.377 10 10 DGCE CN(CC1(Br)CC1)c1cc(Cl)c(CN)cc1F 2020225118 NZOMDFJVDCHVMB-UHFFFAOYSA-N 321.621 3.302 10 10 DGCE CN1CCc2cc([C@@H](O)c3ccnn3Cc3ccccc3)ccc21 2024693497 TXSHOBREUWYLOY-HXUWFJFHSA-N 319.408 3.005 10 10 DGCE Cc1cc(CNCc2cc(Br)cc(F)c2O)co1 2036165441 BBLJHBWVBHYAOC-UHFFFAOYSA-N 314.154 3.485 10 10 DGCE C[C@]1(C(=O)O)CCCN(Cc2cc(Cl)cc(Cl)c2O)C1 86783619 RRAZVJRDTPJJKT-AWEZNQCLSA-N 318.200 3.386 10 10 DGCE CNCc1ccc(N2CC3(CN(Cc4ccccc4)C3)C2)c(C)c1 706592111 WHVNGAWVLJCHMC-UHFFFAOYSA-N 321.468 3.037 10 10 DGCE CCCS[C@@H]1CCN(c2c(F)cc(CNC)cc2F)C1 383155214 HMLCQNCDCNUCGD-GFCCVEGCSA-N 300.418 3.406 10 10 DGCE CN(C[C@@H]1CCSC1)c1ccc(CO)c(Br)c1 718383718 VLFKRWXFUCPGBX-JTQLQIEISA-N 316.264 3.131 10 10 DGCE CO[C@@H]1CC[C@@H]1N(C)c1ccc([C@H](C)N)c(Br)c1 724225530 XJQMFHPBDKPRKK-QCZZGDTMSA-N 313.239 3.082 10 10 DGCE Cc1ccc(CN[C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)c(O)c1 877689888 KIAZQKPMDVRBQE-ZDUSSCGKSA-N 320.433 3.046 10 10 DGCE CCc1nn(Cc2cccc(C)c2O)c(C(F)F)c1C(=O)O 2078942104 UJCDJWWEITYQGM-UHFFFAOYSA-N 310.300 3.144 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H](NCc2c(O)cccc2F)C1 1183919738 OMEOUCNZVJYCRB-LBPRGKRZSA-N 324.396 3.020 10 10 DGCE OCc1ccc(N2[C@H]3CC[C@@H]2C[C@@H](F)C3)c(Br)c1 2072027213 HPVQTIWHCZOUEM-CNDDSTCGSA-N 314.198 3.411 10 10 DGCE C[C@H](O)c1ccc(N(C)C[C@]2(C)CSCCO2)c(Cl)c1 2201226525 IFALDTLAZWTVPO-XHDPSFHLSA-N 315.866 3.352 10 10 DGCE COc1ccc(Br)c(CN[C@H]2CCC[C@@H]2F)c1O 2220462823 RGTAMLNYQDSPFX-QWRGUYRKSA-N 318.186 3.144 10 10 DGCE C[C@H](N)c1ccc(N(C)CC2(F)CCOCC2)cc1Cl 2238279773 PUIZIMHPGNJANV-NSHDSACASA-N 300.805 3.315 10 10 DGCE COc1ncc(CN(C)c2ccc([C@@H](C)N)cc2Cl)s1 2239974145 DLLOWEADGWGUPI-SECBINFHSA-N 311.838 3.461 10 10 DGCE CCN(CC)c1ccc(C=C2SC(=S)NC2=O)c(OC)c1 2297321745 NWMRJIWPFXWTMF-UHFFFAOYSA-N 322.455 3.030 10 10 DGCE CC1=CN2C(=N)C(=Cc3c[nH]c4ccccc34)C(=O)N=C2S1 2297470343 ZXNZNMBCXWERQM-UHFFFAOYSA-N 308.366 3.335 10 10 DGCE O=C(C=Cc1cccc(O)c1)NCc1c(O)ccc2c1CCCC2 2310548187 ACERSWWLCYOKHW-UHFFFAOYSA-N 323.392 3.306 10 10 DGCE CN1CCC(N(C)N=Nc2cccc(Br)c2)CC1 2330185143 MZCYIVQFDAOKQL-UHFFFAOYSA-N 311.227 3.474 10 10 DGCE CCC1=NN(Cc2ccccc2F)C(=O)C1=Cc1ccncc1 2332129490 HUTWBSHOMYOSJO-UHFFFAOYSA-N 309.344 3.413 10 10 DGCE Cc1ccc(CN(C)C(=O)[C@@]23CC[C@@H]2C3)c(O)c1Br 2352667523 YDCIQDHDELWDDV-IAQYHMDHSA-N 324.218 3.222 10 10 DGCE C[C@H](Nc1ccc(C(N)=O)c(Cl)c1)c1ccc(F)cc1O 62747514 MREMGLZZDSGPTA-QMMMGPOBSA-N 308.740 3.457 10 10 DGCE CN(C)c1nc2sc(C(=O)Nc3ccc(N)cc3)cc2s1 178353045 LZJBXMNVJRNRDQ-UHFFFAOYSA-N 318.427 3.258 10 10 DGCE C[C@H](NCCCNC(=O)c1cccs1)c1ccc(F)cc1O 186031547 CICUORWBNLROQK-NSHDSACASA-N 322.405 3.064 10 10 DGCE CCc1ccc(COc2ccc(N3CCNCC3)cc2)s1 35650822 RKLSHUSLXFOLSH-UHFFFAOYSA-N 302.443 3.299 10 10 DGCE Cc1ccn2c(/N=N\c3ccc(O)cc3)c(CC(=O)O)nc2c1 71583579 HPKIAABSSBXOMX-HNENSFHCSA-N 310.313 3.391 10 10 DGCE C[C@@H](c1cccs1)N(C)C(=O)CCOc1ccc(N)cc1 40330341 CCVJQIPEZVVUQY-LBPRGKRZSA-N 304.415 3.319 10 10 DGCE Oc1cccc(CNc2cc3c(cc2Cl)OCCO3)c1O 41116893 ZQEYOKPETCPAQU-UHFFFAOYSA-N 307.733 3.135 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CNCc2ccccc2O)C1 382012425 UZZSRWMQINBWKR-HIFRSBDPSA-N 320.433 3.175 10 10 DGCE [N-]=[N+]=NCCCNC(=O)/C=C\c1cccc(Br)c1 701319182 QMEDHGXDGFIPIY-WAYWQWQTSA-N 309.167 3.279 10 10 DGCE CCN(CC)c1ccc(CN2CCO[C@H](C(F)F)C2)cc1F 802652641 FJHWMGFORZEXGL-HNNXBMFYSA-N 316.367 3.138 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[C@@H]1C 807557096 UVMHLCJIFOEYDX-YOEHRIQHSA-N 303.450 3.471 10 10 DGCE C[C@H](N[C@@H]1CNCC[C@H]1C)c1cc(Cl)c(Cl)cc1O 817969550 WXABKQFQVYRFHT-VYUIOLGVSA-N 303.233 3.348 10 10 DGCE Cc1cc(Cl)cc(CNC[C@@H]2CC(=O)N(C(C)(C)C)C2)c1O 827555425 TYURQYSSRKQCFX-LBPRGKRZSA-N 324.852 3.091 10 10 DGCE CO[C@@H]1CC[C@H](C(=O)NCc2ccc(N3CCCCC3)cc2)C1 824262413 XJGWJMOQZPFTJS-FUHWJXTLSA-N 316.445 3.108 10 10 DGCE Cc1cc(-c2nc(C3(N)CC3)no2)c(C)n1-c1ccc(F)cc1 905314443 JJDKHLOXTRMTJN-UHFFFAOYSA-N 312.348 3.231 10 10 DGCE Cc1nc(-c2cccc(NC(=O)NCc3ccccc3O)c2)no1 748443362 MNXYMBUQCSXBCW-UHFFFAOYSA-N 324.340 3.072 10 10 DGCE C[C@H](NC(=O)c1ccnc(NC2CCC2)c1)c1ccccc1O 913763855 TUYXKJWGNDYYEL-LBPRGKRZSA-N 311.385 3.243 10 10 DGCE C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccc(N)cc1 841299797 OEFLUDIWGRECTC-UWVGGRQHSA-N 301.312 3.464 10 10 DGCE Cc1nocc1/C=C1\SC(=S)N([C@@H]2C[C@H]3CC[C@H]2C3)C1=O 841497836 YYJNDRZPORDFNG-BUFFFWGJSA-N 320.439 3.373 10 10 DGCE COc1cc2c(c(OC)c1)N(Cc1nc(C)oc1C)CCC2 852172634 LNFSZNSULZIXDX-UHFFFAOYSA-N 302.374 3.261 10 10 DGCE C[C@H]1C[C@H](NCc2cc(-c3ccccc3)ccc2O)c2ncnn21 850352457 XBRRRFKXHFFGJI-GUYCJALGSA-N 320.396 3.446 10 10 DGCE CCCCn1ncc(NC(=O)NCc2c(O)cccc2F)c1C 930479948 OEMGZCAKOXIXSJ-UHFFFAOYSA-N 320.368 3.158 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)[C@H]1CCCC(F)(F)C1 862025782 AUBLUMAVLGPQLG-LBPRGKRZSA-N 320.339 3.382 10 10 DGCE CC[C@@H]1CN(Cc2cc(Cl)ccc2O)CCN1CC(F)F 769514729 NSCYVGSWRWXYGE-CYBMUJFWSA-N 318.795 3.207 10 10 DGCE COc1c([N+](=O)[O-])ccc(CN2CC[C@@]3(CC[C@H](C)C3)C2)c1O 775054250 MFYKUKOWERIZNS-YVEFUNNKSA-N 320.389 3.321 10 10 DGCE CO[C@]1(C(F)(F)F)CCN(Cc2cccc(Cl)c2O)C1 895577450 KUNSPZMDWKCSDN-GFCCVEGCSA-N 309.715 3.199 10 10 DGCE Cc1ccc(N2C(=O)/C(=C/c3cncnc3)SC2=S)cc1 781107105 PQCZABQXMFZFIH-MLPAPPSSSA-N 313.407 3.191 10 10 DGCE O=C(N[C@H]1CCC(F)(F)C1)c1cc2cc(O)c(O)cc2s1 897006950 IQLPTNOJBQOSTI-QMMMGPOBSA-N 313.325 3.230 10 10 DGCE CC(C)c1nnc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)s1 799630977 GEQMTCRXEYVEOV-NSHDSACASA-N 318.446 3.219 10 10 DGCE Cc1ccccc1[C@H]1C[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C1 799035685 HZFKKXGQXKDEDA-RNEQHYDGSA-N 323.392 3.482 10 10 DGCE COc1ccc2occ(C(=O)NCc3ccc(N(C)C)cc3)c2c1 799299160 YABQPDMUCYJILG-UHFFFAOYSA-N 324.380 3.437 10 10 DGCE CC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1cc(F)ccc1F 1147218958 RXJTVRIARYDPLV-CQSZACIVSA-N 321.323 3.186 10 10 DGCE CN(C[C@H]1C[C@@H]1C1CC1)c1ccc(CN)cc1Br 698339769 RTMHUNCNAJHPGA-CHWSQXEVSA-N 309.251 3.390 10 10 DGCE CC[C@@H](N=c1[nH]n(CC)cc1Br)c1ccccc1O 2124742073 UYVUFTZHROALRS-GFCCVEGCSA-N 324.222 3.356 10 10 DGCE O=C(O)C=Cc1ccc(N2CC[C@@H]3C[C@H]32)c(Br)c1 1912011699 RPNFKNYDZRQJED-ZWNOBZJWSA-N 308.175 3.146 10 10 DGCE CO[C@@H]1CCN(c2ccc([C@@H](C)N)c(Br)c2)[C@H]1C 1914273400 YMJJMWCBXURRMN-ISTVAULSSA-N 313.239 3.082 10 10 DGCE C[C@H]1C[C@H]1n1c(-c2ccc[nH]2)nnc1N(C)Cc1ccccc1O 1291038518 PWUWKFFXARUOOX-SWLSCSKDSA-N 323.400 3.196 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)Cc1ccnc(F)c1 1297005709 MSYMCOWVCZORHV-UHFFFAOYSA-N 316.376 3.298 10 10 DGCE Cc1cccc(C(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 1459180520 ZWYZNCKLDOXKNU-CQSZACIVSA-N 310.397 3.121 10 10 DGCE COc1ccc(CNC(=O)NCC2CCC3(CC2)CC3)c(O)c1 1479057795 JNKWTOWYBBSVTJ-UHFFFAOYSA-N 318.417 3.170 10 10 DGCE O=C(NCc1ccccc1O)c1ccc(Nc2cccnc2)cc1 1630363534 SYIKGGHZAMBARN-UHFFFAOYSA-N 319.364 3.461 10 10 DGCE CCC[C@@H](C)C(=O)N[C@H]1C[C@@H](NCc2ccc(OC)c(C)c2)C1 1566833667 RLVSEAFXTFREHI-XYPHTWIQSA-N 318.461 3.177 10 10 DGCE C[C@@H](NCc1ccc(Br)cn1)c1c(O)cccc1O 1927137711 MMMKZANICABAJH-SECBINFHSA-N 323.190 3.106 10 10 DGCE Cc1ccnc(C(=O)N(C)c2ccc(N)cc2)c1Br 1927100871 WWJWHHKHESUUPD-UHFFFAOYSA-N 320.190 3.011 10 10 DGCE CC[C@@H](C)C(=O)N[C@@H](CNCc1ccc(OC)c(C)c1)C1CC1 1733165593 USKPTJXOQSQXLF-DYVFJYSZSA-N 318.461 3.034 10 10 DGCE COc1c(C(=O)N2Cc3cccc(O)c3C2)[nH]c2ccccc12 1644088098 FIVOUELRABMOPS-UHFFFAOYSA-N 308.337 3.038 10 10 DGCE C[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C[C@H](C)C1 1654826392 JUSCHVXDQQSVEL-IAGOWNOFSA-N 302.462 3.391 10 10 DGCE Oc1ccc(CCNc2nc(Cl)nc3ccccc23)cc1O 1655216821 FBQMUGBXDYCDDE-UHFFFAOYSA-N 315.760 3.349 10 10 DGCE CNCc1ccc(N(C)[C@H]2CCO[C@@H]2C)cc1C(F)(F)F 160099645 WYBYTBSSEFVMOW-YGRLFVJLSA-N 302.340 3.038 10 10 DGCE Cc1cc(C(=O)N2CC[C@@]3(CCOC3)C2)c(C)n1-c1ccccc1 154678183 PMEHMVBXUCXADW-HXUWFJFHSA-N 324.424 3.347 10 10 DGCE CCCN1C(=O)/C(=C\c2ccc3c(c2)OCCO3)SC1=S 1858588570 NAULXFYKJVMGJP-UKTHLTGXSA-N 321.423 3.069 10 10 DGCE Oc1c(Br)cccc1CNC[C@@H]1C[C@@]12CC2(F)F 1876068889 IPSYLVVVCYOOON-JOYOIKCWSA-N 318.161 3.290 10 10 DGCE CC(C)(C)OC(=O)N[C@@]12CCCC[C@H]1CN(CCN=[N+]=[N-])C2 1962288598 YUVZDVLVSPQIQF-SWLSCSKDSA-N 309.414 3.066 10 10 DGCE CN(C)CCOc1ccc(N(C)CC=C(Cl)Cl)cc1 1884573796 DVUPUDPFDVTLEU-UHFFFAOYSA-N 303.233 3.382 10 10 DGCE Oc1ccc(Cl)cc1CN[C@H]1CCCC2(CC1)OCCO2 1967792007 KJRFVPRSEHQSPR-AWEZNQCLSA-N 311.809 3.211 10 10 DGCE C[C@@H](N)c1cnc(Sc2ncccc2Br)s1 1976521432 UQHXAKBLBBFXPO-ZCFIWIBFSA-N 316.249 3.472 10 10 DGCE C[C@@H]1N(Cc2ccccc2)CC[C@]1(O)c1ccc(N(C)C)cc1 1977939633 RPAAYVISZLKKIC-OXJNMPFZSA-N 310.441 3.235 10 10 DGCE CC(C)(C)OC(=O)N[C@]1([C@H](N)c2ccccc2O)CC[C@H]2C[C@@H]21 1979066700 DHEKGBSHEVDJGN-KMXJZHQMSA-N 318.417 3.085 10 10 DGCE C[C@@H]1C[C@@]1(NC(=O)OC(C)(C)C)[C@H](N)c1ccc(N(C)C)cc1 1984178510 MKVZFXXUWZUCLZ-DWQUBVKVSA-N 319.449 3.056 10 10 DGCE CN1CCc2cc([C@@H](O)C(=O)c3ccsc3Cl)ccc21 2147118236 MPFUIPFXYUINIX-CYBMUJFWSA-N 307.802 3.310 10 10 DGCE C[C@H]1C[C@@H](N(C)c2ccc(CO)c(Br)c2)CS1 2015481547 KSSBLHHGOZPJMC-JOYOIKCWSA-N 316.264 3.272 10 10 DGCE O=C1NC(=O)c2ccccc2C1=Cc1ccc(N2CCCC2)cc1 2040503117 FQPCNLIOZJSTTO-UHFFFAOYSA-N 318.376 3.097 10 10 DGCE Oc1cc(Br)ccc1CNC[C@@H]1CCCCCO1 2035190698 ZCNKOEULOALXTH-ZDUSSCGKSA-N 314.223 3.204 10 10 DGCE C[C@H]1C[C@@H](CN(C)Cc2c(O)cccc2Br)CO1 2040277163 XETQTBICVIJAJW-QWRGUYRKSA-N 314.223 3.012 10 10 DGCE O=C(O)[C@]1(NC2CC2)CCC[C@H](CSc2nccs2)C1 403872225 LNXDMLTYNSBSKU-HZMBPMFUSA-N 312.460 3.001 10 10 DGCE CO[C@H](C)CN(c1ccc(CN)c(Br)c1)C(C)C 688119802 WSPWRBRAQIVSLO-LLVKDONJSA-N 315.255 3.158 10 10 DGCE CCN(C[C@@H](C)OC)c1ccc([C@@H](C)N)c(Br)c1 383208789 IZHRWIREQGKTMR-GHMZBOCLSA-N 315.255 3.330 10 10 DGCE C[C@@H]1C[C@H](CNCc2cc(Cl)cc(Cl)c2O)CN1C 396645125 OFHQNYGWNZDWQQ-NXEZZACHSA-N 303.233 3.129 10 10 DGCE C[C@H](N)c1ccc(N2CCS[C@H]3COCC[C@H]32)c(Cl)c1 2170487712 SCLHNDVWFUFKTP-VQISRLSMSA-N 312.866 3.070 10 10 DGCE CN(Cc1ccccc1O)C(=O)c1ccnc(Cl)c1Cl 1294673703 QIOBFLMGJXQSRJ-UHFFFAOYSA-N 311.168 3.366 10 10 DGCE CC[C@H](O)CN(CC)c1ccc([C@H](C)N)cc1Br 2044554655 OLBOGILWTGOPSV-JQWIXIFHSA-N 315.255 3.066 10 10 DGCE Cc1cc(CN(C)c2ccc([C@H](C)N)c(Br)c2)on1 2114172855 LDCAUXJUBAWOES-JTQLQIEISA-N 324.222 3.402 10 10 DGCE C[C@@H](N)c1ccc(N(C)C[C@@H](F)[C@H]2CCOC2)c(Cl)c1 2238325161 YGJUVXKVHXTKFH-SCDSUCTJSA-N 300.805 3.171 10 10 DGCE OC[C@]1(NCc2cc(Cl)cc(Cl)c2O)C[C@H]2CC[C@H]1C2 2283852044 BVFGQFZOWORTAS-CCUNJIBTSA-N 316.228 3.340 10 10 DGCE CN(C)c1ccc(C=C2CCn3c2nc(=O)c2ccccc23)cc1 2296561978 MNLJQEMMXGPNOY-UHFFFAOYSA-N 317.392 3.407 10 10 DGCE CCS[C@H]1CCCC[C@H]1NC(=O)C=Cc1ccc(O)c(O)c1 2307989981 RMWRRTTUYUTRDN-CJNGLKHVSA-N 321.442 3.292 10 10 DGCE C[C@H](O)c1ccc(N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)cc1Br 2308716681 AGOHZSALKXPWCT-UDVZWPTNSA-N 308.219 3.347 10 10 DGCE CCCC1=NN(C)C(=O)C1=Cc1ccc(OC(C)C)c(OC)c1 2332125561 OSQZAGJFDWOMMX-UHFFFAOYSA-N 316.401 3.494 10 10 DGCE Cc1ccc(CN(C)Cc2ccccn2)c(O)c1Br 2352649886 QSBIIYANSFLVSH-UHFFFAOYSA-N 321.218 3.490 10 10 DGCE C[C@H](CC1CC1)NC(=O)NCc1c(O)ccc2c1CCCC2 176693263 IGGPQQOIILZLFQ-GFCCVEGCSA-N 302.418 3.259 10 10 DGCE C[C@@H](Nc1ccc(Cl)c(C(N)=O)c1)c1ccc(F)cc1O 62747043 LHISRVGYHCZGFM-MRVPVSSYSA-N 308.740 3.457 10 10 DGCE COCCCN1C(=O)/C(=C/C=C\c2ccccc2)SC1=S 33406303 WOKYEAQTOMJICJ-WIIOUWJKSA-N 319.451 3.481 10 10 DGCE CN(Cc1ccc(N2CCCCC2)cc1)C[C@H](O)C(F)(F)F 121033192 PPBICIYFWHCEEW-HNNXBMFYSA-N 316.367 3.032 10 10 DGCE C[C@H](NCCCN(C)C(=O)OC(C)(C)C)c1cc(O)ccc1O 227612067 ZDSAZQYDISUUIE-LBPRGKRZSA-N 324.421 3.005 10 10 DGCE CC(C)(C)OC(=O)N1CCC(=O)C[C@H]1c1cc(F)ccc1O 1952077109 KNWDANAJOGJTNQ-ZDUSSCGKSA-N 309.337 3.172 10 10 DGCE C[C@@H](CCNCc1ccc(O)cc1O)N(C)Cc1ccccc1 379646544 FMLGAEOTRYQBDB-HNNXBMFYSA-N 314.429 3.098 10 10 DGCE CO[C@H](C)[C@H](C)N[C@H](C)c1cc(Br)ccc1O 191641027 OTKRFVYHYHAMON-IVZWLZJFSA-N 302.212 3.229 10 10 DGCE CN(C)c1ccc([C@@H]2N(Cc3ccccc3)C(=O)C2(F)F)cc1 40539855 YCGIVBDWEZVBMY-INIZCTEOSA-N 316.351 3.471 10 10 DGCE COCCCN1C(=O)/C(=C\c2ccccc2C)SC1=S 48402620 YPWVFTJLVJRRPX-JLHYYAGUSA-N 307.440 3.233 10 10 DGCE C[C@H]1CCN(c2ccc(CN)cc2)CCN1Cc1ccccc1 382658120 CTKOHXIZQBVCNG-KRWDZBQOSA-N 309.457 3.246 10 10 DGCE C[C@H](N)c1cc(Br)c(F)c(Br)c1O 238804881 AVYNAQUBFNJKGS-VKHMYHEASA-N 312.964 3.076 10 10 DGCE C[C@H](NC(=O)[C@H](C)Cc1ccc(O)c(O)c1)[C@@H]1C[C@H]2CC[C@H]1C2 243388248 MKRRZTNMLXVBLL-MLEONAHRSA-N 317.429 3.217 10 10 DGCE CN(C)c1ccc(/C=C2/N=C(Cc3ccc(F)cc3)OC2=O)cc1 244420059 YTAVBRDMSXQYSC-UHFFFAOYSA-N 324.355 3.431 10 10 DGCE Cn1ccc2ccc([C@@H]3[C@@H](N)CCN3C(=O)OC(C)(C)C)cc21 1952324581 ONTJNVKGMMSNTH-GOEBONIOSA-N 315.417 3.188 10 10 DGCE Oc1c(Br)cccc1CNc1ccnc(C2CC2)n1 277536635 WKGFWVRUTDRLIO-UHFFFAOYSA-N 320.190 3.434 10 10 DGCE O=C(O)/C=C/c1ccc(N2C[C@@H]3C[C@H]3C2)c(Br)c1 380373892 FBOFCRJGZVDYHE-LOMYTOQZSA-N 308.175 3.003 10 10 DGCE O=[N+]([O-])c1cc(Cl)cc(CN[C@H]2CCCC2(F)F)c1O 808431210 PLGKTADJCPLQBJ-JTQLQIEISA-N 306.696 3.231 10 10 DGCE C[C@@H](N[C@@H]1CCCCNC1)c1ccc(N2CCCCC2)cc1 817983511 FPJVKDWWVBFBLY-SJLPKXTDSA-N 301.478 3.470 10 10 DGCE Cc1cc(Cl)cc([C@@H](C)N[C@H]2CCc3nc[nH]c3C2)c1O 810252776 JAGDGZACBXOBJP-PWSUYJOCSA-N 305.809 3.285 10 10 DGCE CC(C)[C@](C)(CO)NCc1ccc(N(C)C)cc1C(F)(F)F 811516622 YLBKAYHZKIFZON-HNNXBMFYSA-N 318.383 3.268 10 10 DGCE C[C@H](N[C@H]1CC12CCNCC2)c1cc(Cl)c(Cl)cc1O 817976171 HODSDBSNEWQVHC-XPTSAGLGSA-N 315.244 3.492 10 10 DGCE CN(C)c1ccc(/C=C/CNC[C@H](O)c2cccc(F)c2)cc1 835034358 AHUATHUPHXMSNK-PXPVJAHISA-N 314.404 3.228 10 10 DGCE C/C(=C\C(=O)N1CC(C)(C)c2ccc(F)cc21)c1cnccn1 844826891 XNSUEWFWDKAHMS-XYOKQWHBSA-N 311.360 3.343 10 10 DGCE COC(=O)c1ccc(O)c([C@@H](C)N[C@H]2C[C@H](OC(C)(C)C)C2)c1 848566394 WYHIIRRDDXZAQL-MRVWCRGKSA-N 321.417 3.176 10 10 DGCE CC1(C)CCC[C@@H]1[C@H]1CCN(C(=O)c2cccc(O)c2O)C1 844033595 PTWGKVAKJZDJHL-GXTWGEPZSA-N 303.402 3.386 10 10 DGCE C/C(=C\c1cccnc1)C(=O)N1C[C@@H](N(C)C)Cc2ccccc21 846864813 DXNFXYFQQPGZMQ-OTMARIDSSA-N 321.424 3.004 10 10 DGCE Cc1cc(CN2CC(=O)Nc3ccccc3C2)ccc1N(C)C 847048972 MBKAUYVGPGJZBZ-UHFFFAOYSA-N 309.413 3.015 10 10 DGCE C[C@H](NC(=O)Nc1ccc(N)cc1)[C@@H]1Oc2ccccc2[C@H]1C 841298749 DDBUAQFIZOHRSQ-BWACUDIHSA-N 311.385 3.344 10 10 DGCE COC[C@H](CCN[C@@H](C)c1ccc(Cl)c(Cl)c1O)OC 850485439 IDLZLUDAEYGXOY-UWVGGRQHSA-N 322.232 3.401 10 10 DGCE C[C@@H]1C[C@@H](NCc2ccc(N3CCC(O)CC3)cc2)CCS1 922838901 OXWADVUMCINHRV-ZBFHGGJFSA-N 320.502 3.021 10 10 DGCE Cc1cc(CN2C[C@H]3COC[C@@]3(C)C2)ccc1N1CCCCC1 852536475 VAQPZZFUQVHIAS-AZUAARDMSA-N 314.473 3.454 10 10 DGCE C[C@H](C1CC1)n1cc(NC(=O)NCc2c(O)cccc2F)cn1 930975270 HARBDDQQZCWCJY-SNVBAGLBSA-N 318.352 3.021 10 10 DGCE CC(C)(C)[C@@H](NC(=O)N1Cc2cccc(O)c2C1)C(F)(F)F 930904361 UEJPJPWJILHGCJ-GFCCVEGCSA-N 316.323 3.394 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)C(C)(C)[C@H]1CCCCO1 865903764 GLQCAWPSZORCCV-QGZVFWFLSA-N 318.461 3.273 10 10 DGCE COc1cc(C)cc(CNC(=O)N[C@@H](C)c2ccccc2O)c1 868431466 PGXHOZANARAHPI-ZDUSSCGKSA-N 314.385 3.270 10 10 DGCE O=C(C1CCc2ccccc2CC1)N1Cc2cccc(O)c2C1 871206628 BXWDPPFVUONHEV-UHFFFAOYSA-N 307.393 3.430 10 10 DGCE Cc1ccc(OCCCC(=O)N2Cc3cccc(O)c3C2)cc1 871198049 GBRIJTVXYFPNII-UHFFFAOYSA-N 311.381 3.402 10 10 DGCE CCOc1cccc(CN2CCC[C@@H]([C@@H]3CCOC3)C2)c1O 770375002 PPTGMSRIDAEECC-GDBMZVCRSA-N 305.418 3.039 10 10 DGCE COC(=O)c1ccc(O)c([C@@H](C)N[C@@H](C(C)C)C(F)(F)F)c1 786972596 DYYCYCPOUUJKSE-RNCFNFMXSA-N 319.323 3.416 10 10 DGCE C[C@H](NC(=O)NCC(C)(C)C1=CCOCC1)c1ccccc1O 1123834763 NHRXGWGCGXGAKE-ZDUSSCGKSA-N 318.417 3.125 10 10 DGCE COCCC(C)(C)NCc1cc(C)cc(Br)c1O 781633480 VSUBDUGTFKTINW-UHFFFAOYSA-N 316.239 3.368 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)[C@@H](C)c1ncccc1F 791389819 XTNWJLDWVWWBEF-ZDUSSCGKSA-N 316.376 3.469 10 10 DGCE C[C@H](c1cc(Cl)ccc1O)N1CCO[C@H](C(F)(F)F)C1 698967204 FEXGNBPTSQQGGE-PELKAZGASA-N 309.715 3.370 10 10 DGCE Nc1cc(C(F)(F)F)ccc1C(=O)N1Cc2cccc(O)c2C1 1152574386 VFBBIQVXUMPRPV-UHFFFAOYSA-N 322.286 3.149 10 10 DGCE Cc1c(C(=O)N[C@H](C)c2ccccc2O)c(=O)oc2ccccc12 1302530655 UZHRZBFFDFBLPD-GFCCVEGCSA-N 323.348 3.298 10 10 DGCE C[C@H](NC(=O)C(F)(F)Cc1ccccc1)c1ccccc1O 1302538248 KXBAZWMQUZRXOW-LBPRGKRZSA-N 305.324 3.447 10 10 DGCE C[C@@H]1C[C@](NCCCN=[N+]=[N-])(C(=O)O)c2ccsc2S1 1912197679 XMNNKPFEZJZTSH-PRHODGIISA-N 312.420 3.202 10 10 DGCE CCC[C@@H](OC)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1525113984 SKZOUFFDIWFZGL-QGZVFWFLSA-N 304.434 3.060 10 10 DGCE COc1cc(C)cc(C(=O)NCc2c(O)cccc2F)c1C 1456026644 BROQFYNHKGFZDJ-UHFFFAOYSA-N 303.333 3.087 10 10 DGCE Cc1ccc(C(=O)N[C@H]2c3ccccc3CC[C@@H]2C)c(O)c1O 1546172273 RSZCGXLCHDDPAM-MEDUHNTESA-N 311.381 3.460 10 10 DGCE C/C(=C/C1CCC(C)CC1)C(=O)NCc1c(O)cccc1O 1639292411 ASKMSSKHPTZENX-RAXLEYEMSA-N 303.402 3.487 10 10 DGCE COc1ccc(N(C)CCOc2ccc([N+](=O)[O-])cc2)cc1 169591955 FYEZIWSYCQGBQJ-UHFFFAOYSA-N 302.330 3.119 10 10 DGCE CC(C)CNCc1ccc(N2CCC[C@H](CO)C2)c(Cl)c1 163960853 VCLNHJXCVAVICR-HNNXBMFYSA-N 310.869 3.294 10 10 DGCE COc1ccc(N2N=C(C)/C(=C\c3ccccc3O)C2=O)cc1 1865677501 MPTVOJJYDLLJFC-LFIBNONCSA-N 308.337 3.207 10 10 DGCE CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(N)cc2)cc1 31896468 HULGHSIUNFAHOP-GFCCVEGCSA-N 300.358 3.074 10 10 DGCE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)C1CC2(CC2)C1 1889770987 UAVYEDKIGSQUKT-YJBOKZPZSA-N 310.441 3.482 10 10 DGCE Oc1cc(Br)ccc1CN1C[C@H]2CC[C@@]1(F)C2 1943056901 PCKVTXROIPIPNH-ZANVPECISA-N 300.171 3.436 10 10 DGCE Nc1ccc(OCCNc2c(N)cccc2Br)cc1 1876243839 WDHJHOGJYVQMNZ-UHFFFAOYSA-N 322.206 3.104 10 10 DGCE COc1ccc(Br)c(CNCCC(C)(C)F)c1O 1965953605 ZWVBBPQCWMTUTJ-UHFFFAOYSA-N 320.202 3.391 10 10 DGCE CC(C)[C@@](O)(CNC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1977957895 JKJFHORWYQJCEO-SFHVURJKSA-N 322.449 3.121 10 10 DGCE CO[C@H]1CN(c2ccc(CNC(C)C)cc2Cl)C[C@@H]1F 2146483478 GCDVHVSRFLLVLX-ZFWWWQNUSA-N 300.805 3.011 10 10 DGCE Oc1cccc(CNc2c(Cl)ccc3nsnc23)c1O 88119414 FICNKUXTCDDDTL-UHFFFAOYSA-N 307.762 3.368 10 10 DGCE CN(Cc1cccc(Br)c1O)C[C@]1(C)CCOC1 687527595 JIVQURJBVMOPPE-AWEZNQCLSA-N 314.223 3.013 10 10 DGCE Cc1cc(N(C)C[C@H]2CCN(Cc3ccccc3)C2)ccc1CN 382775048 NYQYVUBIODFQEO-LJQANCHMSA-N 323.484 3.412 10 10 DGCE NC[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C2(CCC2)C1 2174635192 HWPCVCVVHWKBRG-SNVBAGLBSA-N 315.244 3.402 10 10 DGCE Nc1c(C(F)(F)F)c(C2CCC2)nn1-c1ccc(O)c(O)c1 2079823867 LODLLCWEMBQUPP-UHFFFAOYSA-N 313.279 3.152 10 10 DGCE CCc1c(C)nn(Cc2c(O)cccc2F)c1Br 2080060032 FLNVMKIOEGZLIG-UHFFFAOYSA-N 313.170 3.409 10 10 DGCE COc1cc(Cl)cc(CNC2CCP(C)(=O)CC2)c1O 2193549683 TVOUVAOHVUZEMA-UHFFFAOYSA-N 317.753 3.299 10 10 DGCE Oc1cc(Cl)ccc1CNCc1ccnn1C(F)(F)F 2199740283 NPLQZHMYHYLNNS-UHFFFAOYSA-N 305.687 3.008 10 10 DGCE C[C@H](N)c1cc(F)c(N2CCSCC(F)(F)C2)c(F)c1 2194700829 WVZIKHCWJFNFGZ-QMMMGPOBSA-N 308.344 3.173 10 10 DGCE C[C@H]1CCOCC[C@H]1NCc1cccc(Br)c1O 2046729800 GBUPJVLNSAZWFD-GXFFZTMASA-N 314.223 3.059 10 10 DGCE CC[C@@H](N[C@H](CF)COC)c1cc(Br)ccc1O 2053071804 SICVDGDSCHNUQV-ZYHUDNBSSA-N 320.202 3.180 10 10 DGCE C[C@@H]1OCC[C@H]1CN(C)Cc1c(O)cccc1Br 2057474616 ILUPQCJSAOHRQZ-QWRGUYRKSA-N 314.223 3.012 10 10 DGCE Cc1cnn(C)c1[C@H](C)NCc1ccc(Br)cc1O 2094115036 DJWZWVXYKVEMQC-JTQLQIEISA-N 324.222 3.047 10 10 DGCE C[C@H](N)c1ccc(N(C)Cc2cc(Br)cn2C)cc1 2114689503 DPPNVSHMJFIPRN-NSHDSACASA-N 322.250 3.444 10 10 DGCE COc1cccc(CNC(=O)C=C(C)c2ccc(F)cc2)c1O 2297494545 CIRCBKQYYRXHTG-UHFFFAOYSA-N 315.344 3.260 10 10 DGCE CC[C@@H](C)NCc1cnc(S[C@@H]2CCC[C@H](O)C2)s1 2333940814 GKWWAHUJBBENAJ-GRYCIOLGSA-N 300.493 3.427 10 10 DGCE C[C@H](NCC(=O)NC(C)(C)C)c1ccc(N2CCCCC2)cc1 177766688 GFKKDUBPVVGZGA-HNNXBMFYSA-N 317.477 3.242 10 10 DGCE C[C@@H](N)c1ccc(N(C)CC(F)(F)F)c(Br)c1 61695872 SUIVNSDUDASZGO-SSDOTTSWSA-N 311.145 3.467 10 10 DGCE CCCOc1ccc(CN[C@H](C)C[C@H](O)c2ccco2)c(O)c1 130399646 VHTLQNQVGWINCS-DYVFJYSZSA-N 319.401 3.376 10 10 DGCE C[C@@H](CCNCc1ccc(O)c(O)c1)N(C)Cc1ccccc1 379653883 GYDUWWMYQGFZTH-HNNXBMFYSA-N 314.429 3.098 10 10 DGCE O=C1N[C@@H](c2cc(Cl)c3ccccc3c2O)N2CCCC[C@H]12 91516397 MIYSOTRUHSOVJK-GDBMZVCRSA-N 316.788 3.182 10 10 DGCE CCCN(Cc1ccc(N)cc1)c1ncncc1Br 90781938 LPWFEDSMNBYFAZ-UHFFFAOYSA-N 321.222 3.238 10 10 DGCE CCOc1cccc(CN[C@@H](C)c2ccc3c(c2)OCO3)c1O 236923068 MGLIAEMEAJGRPZ-LBPRGKRZSA-N 315.369 3.370 10 10 DGCE Cc1c(Br)cc([C@H](C)N)c(O)c1Br 238804869 ZVVGSHAKRDBQKZ-YFKPBYRVSA-N 309.001 3.245 10 10 DGCE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(N)cc2)cc1 243226343 KKJNDDGYNNEVKP-UHFFFAOYSA-N 300.314 3.056 10 10 DGCE CC[C@@H](NCCc1ccc(OC)nc1)c1ccc(C)cc1O 527989755 GNZYQLAYCQKKKM-MRXNPFEDSA-N 300.402 3.388 10 10 DGCE Cc1cncc(/C=C\C(=O)NCc2c(O)ccc3c2CCCC3)c1 255625953 CFVQPYFKEIMZPY-TWGQIWQCSA-N 322.408 3.304 10 10 DGCE CC1(CC(=O)NCc2ccc(N3CCOCC3)cc2)CCCC1 289722150 LZQIGYRSVBGPHH-UHFFFAOYSA-N 316.445 3.110 10 10 DGCE COc1cc(O)c(CN2C[C@@H]3[C@@H](C2)[C@H]2C=C[C@H]3CC2)cc1OC 294977927 GHYLNPJMMQMTLG-SDADXPQNSA-N 315.413 3.053 10 10 DGCE Cc1cc(Cl)cc(CN[C@@H](CC(N)=O)c2ccccc2)c1O 816653335 OGDUNRVTASVWAW-HNNXBMFYSA-N 318.804 3.060 10 10 DGCE Cc1cc(CN2C[C@@H](O)CC[C@H]2C)ccc1N1CCCCC1 817289177 UICHQFJUZGRRPL-AEFFLSMTSA-N 302.462 3.331 10 10 DGCE C[C@]1(CCNC(=O)c2ccc(N=NC(N)=O)cc2)CC1(F)F 824552217 WHLNXWSXXKUKHS-ZDUSSCGKSA-N 310.304 3.014 10 10 DGCE CC[C@@H]1[C@@H](CO)CCN1Cc1cc(Cl)cc(Cl)c1O 824636049 LHGIMQRHMYQDEZ-NOZJJQNGSA-N 304.217 3.292 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCC[C@H](N3CCCC3)C2)cc1 835025563 KTTTZRKMPDWNSQ-BPJPHKDRSA-N 313.489 3.326 10 10 DGCE CCN1C(=O)/C(=C/c2cn(C)nc2C2CCCC2)SC1=S 901415358 IKZFYBXSYRCOPU-WQLSENKSSA-N 321.471 3.299 10 10 DGCE COC(=O)[C@@H](C)CN(C/C=C/c1ccc(N(C)C)cc1)C1CC1 835043940 CRCRDRPNWNFZCW-NFAHFFEMSA-N 316.445 3.039 10 10 DGCE Nc1ccc(CCNC(=O)N[C@H](C2CCCC2)C2CCC2)cc1 831177702 AEVJKKIKJHKSSI-GOSISDBHSA-N 315.461 3.469 10 10 DGCE COc1ccc(O)c(CNC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)c1 745819824 GUIFUAVQWOJLOS-HZPDHXFCSA-N 318.417 3.169 10 10 DGCE Cc1cccc(CN[C@@H]2CCN(c3ccc(F)cc3)C2)c1O 840978182 PXXRLROBZPXFAA-MRXNPFEDSA-N 300.377 3.208 10 10 DGCE C[C@H]1CN(C(=O)c2cc(O)cs2)CCc2ccc(F)cc21 846662457 RMMDOBNYNBIOKS-JTQLQIEISA-N 305.374 3.395 10 10 DGCE COc1cccc([C@H](C)N[C@H](CO)c2sccc2C)c1O 846155231 RXUCHGUSOZQZPY-WCQYABFASA-N 307.415 3.155 10 10 DGCE COc1ccc2c(c1)CCN2Cc1ccn(-c2ccccc2)n1 748803144 QQWWXDQIXGGMJE-UHFFFAOYSA-N 305.381 3.444 10 10 DGCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(N)cc1)C(F)(F)F 1952818163 BRUBVJXFLDQKTK-NSHDSACASA-N 304.312 3.267 10 10 DGCE CCOc1ccc(O)c(CN[C@@H](C)[C@@](C)(O)c2ccccc2)c1 846038534 MTRWNNUERYDHBC-IFXJQAMLSA-N 315.413 3.177 10 10 DGCE NC[C@H]1c2ccccc2CCN1Cc1cc(Cl)ccc1O 843129445 OUCLSTSNGCRMPN-INIZCTEOSA-N 302.805 3.104 10 10 DGCE C[C@@H](NCC[C@@H](N(C)C)C(F)(F)F)c1ccc(N(C)C)cc1 926961385 ITAVJAUFTFYKAR-IUODEOHRSA-N 317.399 3.286 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H](F)C[C@@H]1c1c(N)cccc1O 1953074482 XTHUZPARDCJBGM-ZYHUDNBSSA-N 310.369 3.385 10 10 DGCE C[C@]1(CCNC(=O)NCc2c(O)cccc2F)C[C@@]1(F)Cl 923067270 UNZIXCCVBFAOHI-KBPBESRZSA-N 318.751 3.035 10 10 DGCE C[C@H](N[C@H](C)c1ccns1)c1ccc(N2CCOCC2)cc1 858579946 ZNOFDEUGMHCBHJ-UONOGXRCSA-N 317.458 3.392 10 10 DGCE COc1ccc(N(Cc2nnc(OC)s2)CC(C)C)cc1 929921729 ZCXPFCOGXYVWNH-UHFFFAOYSA-N 307.419 3.218 10 10 DGCE CCc1cc(N[C@H]2CCN(c3ccc(OC)cc3)C2)nc(C)n1 853758354 CQQDNHRBRMIKGU-HNNXBMFYSA-N 312.417 3.047 10 10 DGCE CCOC(=O)C1=CC[C@H](N[C@@H](C)c2ccc(N(C)CC)cc2)C1 858505331 IMBFULPCUQJCQI-YOEHRIQHSA-N 316.445 3.445 10 10 DGCE C/C=C/C[C@H](NCc1cc(Cl)cc(C)c1O)C(=O)OCC 763361417 KILOWADIHMOZLM-YVZNUBBCSA-N 311.809 3.342 10 10 DGCE COc1ccc2c(c1)CC[C@H]2C(=O)NCc1ccc(N(C)C)cc1 1118804193 BDUBZJGGFBPQFG-LJQANCHMSA-N 324.424 3.107 10 10 DGCE Cn1cnc(/C=C/C(=O)N2CCc3cccc(C(F)(F)F)c32)c1 1128777289 IHPLWJFAQNFZLY-AATRIKPKSA-N 321.302 3.041 10 10 DGCE CCOc1ccc(CNC[C@@]2(O)CCCC(C)(C)C2)c(O)c1 782535219 LTHUANNFUGRCIK-GOSISDBHSA-N 307.434 3.212 10 10 DGCE Cn1c(CCNCc2cc(Cl)ccc2O)nc2ccccc21 76272608 UZXNYPXBQWXQSK-UHFFFAOYSA-N 315.804 3.265 10 10 DGCE CCN(CC)c1ccc(CNCc2ncccc2O)cc1F 793255360 HNUCCBJPEMDAGQ-UHFFFAOYSA-N 303.381 3.062 10 10 DGCE c1ccc([C@]2(CNCc3ccc4c(c3)CCO4)CCCO2)cc1 1203783184 RLQVPVMUTAGNMV-HXUWFJFHSA-N 309.409 3.417 10 10 DGCE CNC(=O)C[C@H](N[C@@H](C)c1ccc(F)cc1O)c1ccccc1 795848852 AQFXRANGZNOEEZ-LRDDRELGSA-N 316.376 3.059 10 10 DGCE Cc1cccc(-n2c(C)cc(C(=O)N(C3CC3)C3COC3)c2C)c1 1141369878 RJOBMYZSSIUKLZ-UHFFFAOYSA-N 324.424 3.406 10 10 DGCE CCc1c(C(=O)NCc2c(O)ccc3ccccc23)cnn1CC 1304090373 GHYJAGSVSAKHPT-UHFFFAOYSA-N 323.396 3.254 10 10 DGCE CN(C)[C@@H](CCNCc1ccc(Cl)cc1O)C(F)(F)F 1665623740 NLGDKHAZGUOXLT-LBPRGKRZSA-N 310.747 3.018 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2CC[C@H]2C)cc1 1326882383 LBYKLOYMJQUXCD-PBHICJAKSA-N 303.450 3.473 10 10 DGCE Oc1c(F)cc(F)cc1CN1CCC(c2ccccn2)CC1 1338236933 ZYCUIWQROVPTLA-UHFFFAOYSA-N 304.340 3.445 10 10 DGCE C[C@@H](NCC=CCNC(=O)OC(C)(C)C)c1cc(F)ccc1O 1911669784 KOHADDNWWVHWIS-GFCCVEGCSA-N 324.396 3.263 10 10 DGCE C/C(=C\c1cccnc1)C(=O)N(CC(F)(F)F)c1ccccn1 1356138497 JRNVCNINJWSQJW-FMIVXFBMSA-N 321.302 3.475 10 10 DGCE Cc1nc(-c2cccs2)sc1C(=O)N1CC(N=[N+]=[N-])C1 1912184213 CMXAAAJVHVDAOQ-UHFFFAOYSA-N 305.388 3.315 10 10 DGCE Cc1ccc(CN(C)C(=O)c2cc3cc(O)c(O)cc3s2)o1 1540404744 CTPJSDPKWCSMFY-UHFFFAOYSA-N 317.366 3.486 10 10 DGCE Cc1nc(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)co1 1623739398 PBFUJSXHJTZUMZ-UHFFFAOYSA-N 323.396 3.363 10 10 DGCE COc1ccc(CN[C@H](CNC(=O)CC2CC2)C(C)C)cc1C 1732551377 CZUKYJVXKOHTTC-QGZVFWFLSA-N 318.461 3.034 10 10 DGCE COc1ccc(N(C)CC(=O)Nc2ccc(C)c(F)c2)cc1 1654957283 FJKFISDNUZJMHT-UHFFFAOYSA-N 302.349 3.218 10 10 DGCE CC(=O)N[C@@H](C)CN=NNc1ccc(Br)c(C)c1 1860496328 BIPSOOPIUCXJCG-VIFPVBQESA-N 313.199 3.061 10 10 DGCE C[C@@H]1CCS[C@@H]1CNCc1c(O)cccc1Br 1945606682 ALEALBVXTOUDEU-NOZJJQNGSA-N 316.264 3.386 10 10 DGCE CC[C@H](CN(C)Cc1ccc(N)cc1)NC(=O)OC(C)(C)C 1961902544 KKHCGDVUWAAOEK-OAHLLOKOSA-N 307.438 3.004 10 10 DGCE CCN[C@@H](c1ccc(N(C)C)cc1)[C@H](C)NC(=O)OC(C)(C)C 1977944211 BWVOKORUYLRGFV-XJKSGUPXSA-N 321.465 3.316 10 10 DGCE CC(C)(C)OC(=O)N1C[C@]2(COc3ccc(N)cc3)C[C@@]2(C)C1 1992465739 SDMWYYDOHSCIST-ROUUACIJSA-N 318.417 3.295 10 10 DGCE Cc1ccc([C@H](C)Nc2c(Br)cnn2C)c(O)c1 2038257531 PGBVGMAXDIBDTN-VIFPVBQESA-N 310.195 3.370 10 10 DGCE Cc1ccc(O)c(CNC[C@H](C)N(C)C(=O)OC(C)(C)C)c1 309962799 BFVHRSMVAKAERC-ZDUSSCGKSA-N 308.422 3.046 10 10 DGCE Oc1ccc(CNCCc2cccc(Br)c2)c(O)c1 313711767 ISUYFUYYXFMWLQ-UHFFFAOYSA-N 322.202 3.193 10 10 DGCE C[C@@H](N)c1ccc(N2CCS[C@H]3COCC[C@H]32)cc1Cl 2170485884 HBAHKDDKIYQFNT-KMUNFCNLSA-N 312.866 3.070 10 10 DGCE Oc1ccc(CNCc2ccsc2Br)c(O)c1 388546382 HSKYRAFIFAPHBT-UHFFFAOYSA-N 314.204 3.212 10 10 DGCE C[C@H](O)c1ccc(N2CC[C@@H](CF)C2)cc1Br 711425333 FXAYOIHOFQMCRG-UWVGGRQHSA-N 302.187 3.298 10 10 DGCE CC[C@H](N[C@H]1C[C@]1(C)OC)c1cc(Br)ccc1O 694484568 LKLKOIQSYQXDAP-UBHSHLNASA-N 314.223 3.373 10 10 DGCE Cc1ccc([C@@H](C)n2nc(C3CCC3)cc2C(=O)O)c(O)c1 2069856572 RRONZKMBSHAODK-LLVKDONJSA-N 300.358 3.472 10 10 DGCE COc1ccc([C@@H](C)n2nc(C3CCCC3)cc2CO)c(O)c1 2070172888 CFXTXYYQLFSSEX-GFCCVEGCSA-N 316.401 3.357 10 10 DGCE C[C@@H](O)c1ccc(N2CC3(CC(F)C3)C2)cc1Br 2051892270 PDORBFYHGVRFEQ-SECBINFHSA-N 314.198 3.441 10 10 DGCE CNCc1ccc(N2CC[C@@H]3CC[C@@H]3C2)cc1Br 2068256167 XFFAIHBOGNCQEJ-WCQYABFASA-N 309.251 3.405 10 10 DGCE CN(CC1(Br)CC1)c1ccc2c(c1)CCC[C@@H]2N 2076247983 NETYYCSSSUCMKW-AWEZNQCLSA-N 309.251 3.386 10 10 DGCE C[C@H](N)c1ccc(N2CCn3cccc3C2)cc1Br 2114530662 MGIFHROKVQBOQG-NSHDSACASA-N 320.234 3.291 10 10 DGCE CCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccc(N)cc1 2212661766 GXCXZUQAPSGLTK-MRXNPFEDSA-N 319.449 3.495 10 10 DGCE C[C@H](c1ccc(Cl)cc1O)N1CCO[C@H](C(F)(F)F)C1 2203362605 OGUCMTJZOZGWNJ-PELKAZGASA-N 309.715 3.370 10 10 DGCE CCCN=c1nc(Sc2nccs2)c(C(F)(F)F)c[nH]1 2203653017 LTOIWAGGFAIWQR-UHFFFAOYSA-N 320.365 3.347 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@H]1NC(=O)c1sccc1Br 2213586374 WOAGLDTVDZKBOE-SFYZADRCSA-N 315.196 3.472 10 10 DGCE CC1=NN(c2ccccc2C)C(=O)C1=CNc1ccccc1O 2297322361 VNCLHTKWCBNIIL-UHFFFAOYSA-N 307.353 3.419 10 10 DGCE Cc1ccc(CN[C@H](C)c2cnco2)c(O)c1Br 2327613976 ZHWFHGHOBKKSLB-SECBINFHSA-N 311.179 3.302 10 10 DGCE CCc1cnccc1CNCc1ccc(Br)cc1O 2340227340 LVEURQTVPSSHOP-UHFFFAOYSA-N 321.218 3.402 10 10 DGCE CC[C@@H](NCc1ccc(C)c(Br)c1O)c1ncc[nH]1 2352682789 BBDACCYOOBENPF-LLVKDONJSA-N 324.222 3.427 10 10 DGCE CC1=NN(c2ccccc2)C(=O)/C1=C/c1sc(=S)[nH]c1O 104917467 OOBDWQWZXVRCAH-JXMROGBWSA-N 317.395 3.317 10 10 DGCE CN(Cc1ccccc1O)[C@H](C(=O)N1CCCC1)c1ccccc1 171927011 YGTBBIHKKDGSNN-IBGZPJMESA-N 324.424 3.188 10 10 DGCE Cc1ccccc1-c1nnc(CN(C)Cc2ccccc2O)o1 119531704 KLOPIDOEIHXQDD-UHFFFAOYSA-N 309.369 3.383 10 10 DGCE NCc1ccc(N2CCN(c3ccccc3Cl)CC2)cc1 20469794 WMRHTPLJDKXTKM-UHFFFAOYSA-N 301.821 3.125 10 10 DGCE Nc1ccc(CC(=O)N[C@H]2CCOc3c(Cl)cccc32)cc1 178448716 SAAUGBHVWDQTTJ-HNNXBMFYSA-N 316.788 3.105 10 10 DGCE Cc1ccc(/C=C2/SC(Nc3cccc(O)c3)=NC2=O)o1 210383893 WNRHPURMTBUDFU-MDWZMJQESA-N 300.339 3.376 10 10 DGCE Nc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 37029730 KOWWIRLBEUPYPU-UHFFFAOYSA-N 305.721 3.012 10 10 DGCE O=C(O)Cc1nc2ccccn2c1/N=N\c1cccc(C(=O)O)c1 71581201 QOWXKUVJZCSPQC-HNENSFHCSA-N 324.296 3.075 10 10 DGCE O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1c(O)cccc1Cl 227283378 KNVXRQFMQFVUIU-SWHYSGLUSA-N 309.793 3.263 10 10 DGCE CN(Cc1ccccc1)c1ccc(N=Nc2nn(C)c[n+]2C)cc1 255992855 OQEYUHNSQQCQOJ-UHFFFAOYSA-N 321.408 3.296 10 10 DGCE Cc1cc(Cl)cc(CN2CCCC23CCN(C)CC3)c1O 373696915 NRRIZFMSBIKRMW-UHFFFAOYSA-N 308.853 3.414 10 10 DGCE Oc1c(F)cc(Cl)cc1CN1CCOC[C@H]1CC(F)F 809712374 KSXXIGRXRURBJQ-SNVBAGLBSA-N 309.715 3.041 10 10 DGCE C[C@H](NCC[C@@H]1CCOC1)c1cccc(C(F)(F)F)c1O 815615704 VLLAQYQHTGLUNV-WDEREUQCSA-N 303.324 3.488 10 10 DGCE Nc1nc2c(c(NCc3ccc(N4CCCC4)cc3)n1)CCCC2 825582538 CDLOVFMMCUXTSD-UHFFFAOYSA-N 323.444 3.150 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@@H]2CCO[C@@H](C3CC3)C2)cc1 835046720 MGROWFYTGGKNDS-VOSNQSNISA-N 300.446 3.313 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)C[C@@H](C)[C@H]1CCCO1 830141339 RENAMLZQJHNNLM-RHSMWYFYSA-N 305.418 3.336 10 10 DGCE COC(=O)/C=C/c1ccc(N2CCCC2(C)C)c([N+](=O)[O-])c1 742400451 AMWPXFOVVDJQEH-SOFGYWHQSA-N 304.346 3.160 10 10 DGCE NCc1ccc2c(c1)CCCN2Cc1nccn1-c1ccccc1 843057753 HVEQUYGCZLDWGY-UHFFFAOYSA-N 318.424 3.284 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](C(=O)O)C[C@H]1c1ccccc1O 1952528854 HXGDICLMVSXUTH-AAEUAGOBSA-N 321.373 3.165 10 10 DGCE C[C@@H](NC[C@@]1(C(F)(F)F)CCCN1)c1cc(F)cc(F)c1O 925856008 PUKKWDVVNCSFOR-AMIZOPFISA-N 324.293 3.006 10 10 DGCE CCC[C@H](CC)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 852024810 NPXLPRGQGUISIH-GJZGRUSLSA-N 319.449 3.152 10 10 DGCE FC(F)(F)[C@H]1CC[C@H](CNCc2ccc3c(c2)CCCO3)O1 922454139 BMSILUWDQYSCAC-UKRRQHHQSA-N 315.335 3.211 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)C(C)=C3CCCC3)C2)cc1 855234342 XNMLXVFPZJKCQE-MRXNPFEDSA-N 314.429 3.281 10 10 DGCE COc1ccc(O)c(CNC(=O)N[C@H](C)C2CCC(F)CC2)c1 853736596 HPYZJPWBMHQVJN-LKSINWNRSA-N 324.396 3.117 10 10 DGCE CC[C@H](N[C@H]1C[C@H](C)n2ncnc21)c1cc(Cl)ccc1O 850498793 DFVCRPKJNSUZPL-XDTLVQLUSA-N 306.797 3.384 10 10 DGCE CCCCN(Cc1ccccc1O)C[C@@H](O)CCC1(O)CCC1 930349965 CRTKZTQZVQKLMP-KRWDZBQOSA-N 321.461 3.050 10 10 DGCE CCCN(CCC)c1ccc(CNC[C@@]2(OC)CCOC2)cc1 763480958 QEIDEMFYJZUENX-IBGZPJMESA-N 320.477 3.208 10 10 DGCE Cc1cc(O)c(CN2CCO[C@H](C(F)F)CC2)cc1Cl 872253995 OHNCXTYSMGKDCA-ZDUSSCGKSA-N 305.752 3.210 10 10 DGCE O=C(c1cc(Cl)nc(C2CC2)c1)N1Cc2cccc(O)c2C1 871204133 DCIKRMUQKFVBGO-UHFFFAOYSA-N 314.772 3.474 10 10 DGCE CCOc1cccc(CN(C)c2ccc(OC)cc2OC)n1 784206589 ZXXCRVRZGQPNOS-UHFFFAOYSA-N 302.374 3.134 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@H]2CCC(C)(C)O2)cc1F 785079220 XFLVGALFIVFEFR-MRXNPFEDSA-N 322.424 3.246 10 10 DGCE COc1ccc2c(c1)NC1(CCCCC1)CN2[C@H](C)C(=O)O 76931074 RUVUDDRXHXXUQI-GFCCVEGCSA-N 304.390 3.103 10 10 DGCE CCCCCC[C@@H](O)CCC(=O)N(C)Cc1ccccc1O 1137345614 PKOHIJLVPFBCKZ-MRXNPFEDSA-N 307.434 3.462 10 10 DGCE C[C@H]1CN(Cc2ccccc2)C[C@@H]1NCc1cc(F)ccc1O 389836460 KLYJJEKEBPWQJY-KSSFIOAISA-N 314.404 3.141 10 10 DGCE C[C@H]1CC[C@H](CN)CN1Cc1cc(Cl)cc(Cl)c1O 70179095 QMHWPCCHMXNRKJ-VHSXEESVSA-N 303.233 3.258 10 10 DGCE Oc1ccc2ccccc2c1CN[C@H]1CCCCC12OCCO2 715678867 AIDRVUNHUKNODC-SFHVURJKSA-N 313.397 3.321 10 10 DGCE Cc1c(F)ccc(N)c1C(=O)NCc1cc(Cl)ccc1O 1165507191 BNZGJEWIMABKOP-UHFFFAOYSA-N 308.740 3.005 10 10 DGCE O=C(NCC[C@@H]1CC[C@H]2C[C@@H]12)NCc1cc(Cl)ccc1O 1248736550 IGJHCROWJLHADW-MJVIPROJSA-N 308.809 3.281 10 10 DGCE CCOCc1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1 1182840353 AKFBTCAJOFZNOI-UHFFFAOYSA-N 305.305 3.026 10 10 DGCE [N-]=[N+]=N[C@@H]1CCN(C(=O)c2cc(Br)ccc2F)C1 1912181508 OUGGVIOTQHLOGU-MRVPVSSYSA-N 313.130 3.113 10 10 DGCE C[C@H]1CCc2ccccc2[C@H]1NC(=O)Cc1ccc(O)c(O)c1 1546172185 PFAJOSRXSYWNBQ-BUXKBTBVSA-N 311.381 3.080 10 10 DGCE CCCOc1ccnc(N(CC)Cc2ccc(N(C)C)cc2)n1 1472725593 MXGOLQGSLUIQFS-UHFFFAOYSA-N 314.433 3.358 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc2ccncc12 1556157408 AROFRUWSLRKBRK-LBPRGKRZSA-N 322.364 3.007 10 10 DGCE O=C(NCc1cc(C2CC2)ccc1F)c1cccc(O)c1O 1636500691 NMYPEVQELAZNAY-UHFFFAOYSA-N 301.317 3.044 10 10 DGCE CN(CCOCC1CC1)c1ccc(CNC2CC2)cc1Cl 164166398 DYNRKQZLMPJZMP-UHFFFAOYSA-N 308.853 3.455 10 10 DGCE CCOC(=O)N1CCC(N=NNc2ccc(OCC)cc2)CC1 1860490786 WXGMQTOYBYWBAJ-UHFFFAOYSA-N 320.393 3.485 10 10 DGCE CCOC(=O)N1CCC(N=NNc2cccc(C(C)=O)c2)CC1 1860495076 WFWZGPDUJIMEHH-UHFFFAOYSA-N 318.377 3.289 10 10 DGCE C[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2O)[C@H]1C(=O)O 818631948 WQSXVSYPHHDRGM-QPUJVOFHSA-N 318.200 3.384 10 10 DGCE Cc1ccn2c(C(=O)N(c3ccc(N)cc3)C3CC3)c(C)nc2c1 1857926938 KFAOKPQXTLMENI-UHFFFAOYSA-N 320.396 3.343 10 10 DGCE C[C@@H](c1ccccc1O)N(C)c1c(N)cncc1Br 1877537944 KGOXRAHFUWFCQK-VIFPVBQESA-N 322.206 3.329 10 10 DGCE CC(C)(C)OC(=O)N1CCN(CCCCN=[N+]=[N-])[C@H]2CC[C@@H]21 1962288442 WGRYYJLKXLQWON-STQMWFEESA-N 309.414 3.161 10 10 DGCE Cc1ccc(CNCC2(C)CN(C(=O)OC(C)(C)C)C2)c(O)c1 1970943702 RDNYUKSZVADETO-UHFFFAOYSA-N 320.433 3.047 10 10 DGCE CCN(CC)c1ccc([C@H](O)CCNC(=O)OC(C)(C)C)cc1 1977936244 UGBFCHUPVOQZTA-MRXNPFEDSA-N 322.449 3.481 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1CN(c2ccc(N)cc2)CC1(C)C 1977931229 GFTSWPZQABFLES-CYBMUJFWSA-N 319.449 3.256 10 10 DGCE CN(c1cc(Cl)c(CN)cc1F)[C@@H]1CCOCC1(C)C 2177383943 SMVOKUAGXDNRIQ-CQSZACIVSA-N 300.805 3.189 10 10 DGCE Oc1cc(O)c(Cn2ncc(-c3ccccc3)c2Cl)c(O)c1 2070247089 QYCAFOLTAXXPPJ-UHFFFAOYSA-N 316.744 3.369 10 10 DGCE CC(C)Cc1cnn(Cc2c(O)cccc2Br)c1N 2070261615 BEFJQCSDBCBKOU-UHFFFAOYSA-N 324.222 3.180 10 10 DGCE C[C@@H](O)c1ccc(N(C)[C@@H]2COCCC2(F)F)c(Cl)c1 2168228070 QMLXCUSMXWGEEV-NOZJJQNGSA-N 305.752 3.254 10 10 DGCE CO[C@@H]1CCN(c2cc(Cl)c(CN)cc2F)[C@H]1C(C)C 2182431690 KEJXGGRTKRNBIW-CABCVRRESA-N 300.805 3.188 10 10 DGCE CO[C@H](CN(C)c1ccc(CN)cc1Br)C(C)C 2068260798 VYWTVUAAYMPGJW-CQSZACIVSA-N 315.255 3.015 10 10 DGCE COCCN(CCOC)N=Nc1cccc(Br)c1 2330185088 CMUJXCPHPTUZKF-UHFFFAOYSA-N 316.199 3.043 10 10 DGCE COc1ccc(N(Cc2ccccc2)[C@H](C)CO)c(OC)c1C 2246034430 JPIHJUOAYGZAQK-CQSZACIVSA-N 315.413 3.400 10 10 DGCE CSc1ncc(CNc2nccc(C(C)(F)F)n2)s1 2269097559 FIMSMBQNXQBKFS-UHFFFAOYSA-N 302.375 3.379 10 10 DGCE CC1=NN(c2ccc(C(=O)O)cc2)C(=O)C1=Cc1ccccc1F 2297707498 DOOQNBRXBJRSBA-UHFFFAOYSA-N 324.311 3.330 10 10 DGCE COCC(C)(C)N(C)c1ccc([C@@H](C)N)c(Br)c1 310858981 RBFZJKUAWHAVMZ-SNVBAGLBSA-N 315.255 3.330 10 10 DGCE CN(CC(=O)NC(C)(C)C)Cc1cc(Cl)cc(Cl)c1O 120677223 NEBWIPFEVISJGV-UHFFFAOYSA-N 319.232 3.046 10 10 DGCE COc1cc(F)c(COc2cc(F)cnc2N)c(Cl)c1 2364624070 JYCDGXBXYXUMTI-UHFFFAOYSA-N 300.692 3.183 10 10 DGCE COc1cc(Cl)cc(CNC[C@]2(O)CCC[C@H](C)C2)c1O 228674413 RZCVLIWOENHOLT-ZBEGNZNMSA-N 313.825 3.085 10 10 DGCE CCNCc1ccc(OC)c(CSc2cc(C)nn2C)c1 83967325 LKIOBZOIKIZDOH-UHFFFAOYSA-N 305.447 3.139 10 10 DGCE CN(C)c1ccc([C@H](Cc2ccc(F)cc2Cl)NN)cc1 97709464 NHDQYUQFYPJWMV-INIZCTEOSA-N 307.800 3.292 10 10 DGCE COc1ccc(O)c([C@@H](C)NC[C@@H]2CCCN(CC(C)C)C2)c1 248491933 IZIKNLMRWCXNOZ-CVEARBPZSA-N 320.477 3.419 10 10 DGCE CC(=O)C(=O)COC(=O)CCCc1ccc(C(C)(C)C)cc1 808513546 ITGUTAUPZAAQKC-UHFFFAOYSA-N 304.386 3.008 10 10 DGCE N[C@@]1(c2ccc(N3CCCCC3)cc2)CCCC2(C1)OCCO2 2163129200 ZSPPIOMDIGDAOX-SFHVURJKSA-N 316.445 3.148 10 10 DGCE CCN1CCc2cc([C@@H](NN)c3cc(Cl)cs3)ccc21 2163135281 IHDDTOCAJMNPQN-OAHLLOKOSA-N 307.850 3.337 10 10 DGCE O=C(NCc1cc(Br)ccc1O)[C@@H]1CC[C@@H]2C[C@@H]2C1 817601544 ARAYBIWGXUPFMZ-GMTAPVOTSA-N 324.218 3.207 10 10 DGCE CCCC[C@H]1OC(=O)N[C@H]1c1ccc(Br)cc1O 575252685 WMQIGDONCNWPNA-NEPJUHHUSA-N 314.179 3.494 10 10 DGCE Cc1cc(CN2[C@H]3CC[C@H]2[C@@H](CO)C3)ccc1N1CCCCC1 829962692 POFJVEKKTGFHLT-HBFSDRIKSA-N 314.473 3.331 10 10 DGCE C[C@@H](N[C@H](CO)CCc1ccccc1)c1ccc(F)cc1O 903289497 KODBRKXWDVFGEG-CJNGLKHVSA-N 303.377 3.176 10 10 DGCE Cc1cc(O)c(CN2CCC[C@H](N3CCCC3)C2)c(Cl)c1 840910576 JRIMJGRNSMSPDE-AWEZNQCLSA-N 308.853 3.414 10 10 DGCE C[C@@H]1C[C@@H](NCc2cc(F)c(N(C)C)cc2F)CCS1 922839325 SHJHOWQNYXDHKU-PWSUYJOCSA-N 300.418 3.405 10 10 DGCE CCO[C@@H](CN(Cc1ccccc1O)C[C@H]1CCCO1)C1CC1 859191133 WQKXZRNMAFJBKC-MJGOQNOKSA-N 319.445 3.188 10 10 DGCE C[C@H](NC(=O)NC[C@H]1CC(C)(C)OC1(C)C)c1ccccc1O 927632908 PIWQPOSYQRBAJX-QWHCGFSZSA-N 320.433 3.346 10 10 DGCE CC[C@H](CNC(=O)NCc1c(O)cccc1F)CC(F)(F)F 922888170 IHSWPTYSOYKRBZ-VIFPVBQESA-N 322.302 3.309 10 10 DGCE C[C@@H](N[C@H](C)C(C)(C)O)c1cc(Br)cc(F)c1O 756817364 FJYRRJKDZFFNBB-HTQZYQBOSA-N 320.202 3.104 10 10 DGCE C[C@H](CN[C@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccccn1 850482605 QCFDOMTVMPZLFH-VXGBXAGGSA-N 301.346 3.150 10 10 DGCE Cc1ccc(O)c(CNC(=O)CCCCC(=O)OC(C)(C)C)c1 862754171 STVJWPJZMXCAJM-UHFFFAOYSA-N 321.417 3.219 10 10 DGCE CCN(CC)c1ccc(CN2CCO[C@@H](CCF)C2)cc1F 862530537 OEIYHXMXFVFLAH-HNNXBMFYSA-N 312.404 3.232 10 10 DGCE CCN1C(=O)CCc2cc(NC(=O)c3cc(O)cs3)ccc21 760451267 OGTYFDWOERLSLL-UHFFFAOYSA-N 316.382 3.005 10 10 DGCE C[C@@H](NC[C@H](O)c1cc(F)ccc1F)c1ccc(N(C)C)cc1 775838398 YEIXMIUVVOYVPY-XIKOKIGWSA-N 320.383 3.415 10 10 DGCE CCOc1cccc(CNC[C@@H]2CCC3(CCC3)CO2)c1O 886318015 HLPYDXRSSBGYJX-HNNXBMFYSA-N 305.418 3.230 10 10 DGCE C[C@H]1C[C@@H](NCc2cccc(F)c2O)CN1Cc1ccccc1 398031698 NOEVXENWKLXTEP-WMLDXEAASA-N 314.404 3.284 10 10 DGCE CC(=O)Nc1cc(Cl)ccc1NC(=O)c1cc(O)cs1 1143980404 ANNXNZDEJWNVJE-UHFFFAOYSA-N 310.762 3.318 10 10 DGCE CO[C@H]1CN(Cc2ccc(Br)cc2O)CC[C@@H]1C 691679486 SEFGXKSTJGWWJK-HZMBPMFUSA-N 314.223 3.012 10 10 DGCE Cc1cc(Cl)cc(C(=O)N2Cc3cccc(O)c3C2)c1N 1302787629 PWYQKZHIJAFQCR-UHFFFAOYSA-N 302.761 3.092 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2cccc([N+](=O)[O-])c2Cl)c1 1167293962 WLSQCRGIPOYFMI-UHFFFAOYSA-N 320.732 3.192 10 10 DGCE CCn1cc(Br)c(Cn2ccc3cc(N)ccc32)n1 2124748210 VFHYEKIEICCYKI-UHFFFAOYSA-N 319.206 3.251 10 10 DGCE C[C@@H]1C(=O)CC[C@@H]1CC(=O)NCc1c(O)ccc2ccccc12 1179032495 IWMZCHDSDBHQGV-GXTWGEPZSA-N 311.381 3.167 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@]2([C@H](N)c3ccccc3O)CC[C@H]1C2 1901273192 MEGKDJYTWOWDFY-WBHUJUFNSA-N 318.417 3.182 10 10 DGCE Cc1cccc(-n2c(C)cc(CNC(=O)c3ccnnc3)c2C)c1 1635327547 VBVNAPVUCFJZMV-UHFFFAOYSA-N 320.396 3.123 10 10 DGCE COc1ccc(CNC[C@H](NC(=O)CC(C)C)C2CC2)cc1C 1569293136 UULBIRLMHUYEDG-KRWDZBQOSA-N 318.461 3.034 10 10 DGCE CCc1ccc2c(c1)CCN2C(=O)/C=C\c1ccc(O)c(O)c1 1648616444 OTSFOJUMHCLZDP-YVMONPNESA-N 309.365 3.263 10 10 DGCE COc1ccc(CNC[C@H](C)NC(=O)CC2CCCC2)cc1C 1732986124 DUTMTOIGLDYJML-HNNXBMFYSA-N 318.461 3.178 10 10 DGCE CCSc1ccc(CC(=O)NCc2cc(O)ccc2O)cc1 1643881685 BIJITMNMCWBQND-UHFFFAOYSA-N 317.410 3.069 10 10 DGCE Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2Cl)c(O)c1O 1584728651 NMBUAXMIAKCIKL-GXTWGEPZSA-N 317.772 3.346 10 10 DGCE CCOc1ccc(N(CC2CC2)C[C@H]2CN(CC)C(=O)O2)cc1 1655333243 JQXUPTVXLVOCEX-QGZVFWFLSA-N 318.417 3.142 10 10 DGCE Cc1cccc2c1CCC[C@@H]2NC(=O)Cc1ccc(O)c(O)c1 1585581555 NBNUIKVXXZRZAR-INIZCTEOSA-N 311.381 3.143 10 10 DGCE C[C@H](CCN(C)C(=O)OC(C)(C)C)Nc1c(N)cccc1F 1960846371 ULGJOXZAIVJRAB-LLVKDONJSA-N 311.401 3.465 10 10 DGCE Oc1cc2c(cc1CN1CC[C@@H](Oc3cccnc3)C1)CCCC2 160420714 GHUBVGOEPSNSAO-LJQANCHMSA-N 324.424 3.319 10 10 DGCE CCCNCc1ccc(N2CCC(N(C)C)CC2)c(Cl)c1 163959020 KZJFMLGVOJWIHS-UHFFFAOYSA-N 309.885 3.370 10 10 DGCE C[C@H](NC[C@@H]1CCCN1C)c1ccc(N2CCCCC2)cc1 154506889 UEEFAXXTFZTOBU-LPHOPBHVSA-N 301.478 3.422 10 10 DGCE CCC(CC)c1n[nH]c(=Nc2cccc(C(=O)OC)c2O)s1 1859858591 AUYOVOKGIQOESW-UHFFFAOYSA-N 321.402 3.099 10 10 DGCE CCCN1N=C(c2ccccc2)/C(=C/c2ccc(O)cc2O)C1=O 1865654023 FKXYCKXOARCSQH-WJDWOHSUSA-N 322.364 3.138 10 10 DGCE C[C@H](N[C@@H]1CC[C@@H]1OCc1ccccc1)c1cc(O)ccc1O 1939573405 DWHWTZIIBZRZNV-IRWQIABSSA-N 313.397 3.496 10 10 DGCE CCSC1CN(c2ccc([C@H](C)O)c(Br)c2)C1 1948318654 WCPIDBMPUIUJOD-VIFPVBQESA-N 316.264 3.444 10 10 DGCE CC1(NCc2cc(Br)cc(F)c2O)CC(F)C1 1947891265 WYFYRJBGBVHKAM-UHFFFAOYSA-N 306.150 3.274 10 10 DGCE C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CN1CCCN=[N+]=[N-] 1962288203 SYEJUEYYDMVQBV-QWHCGFSZSA-N 311.430 3.312 10 10 DGCE CN(C)c1ccc(CNCc2cnn(Cc3ccccc3)c2)cc1 24083350 CQFAPGMKJJEMED-UHFFFAOYSA-N 320.440 3.287 10 10 DGCE C/C=C/C[C@@H](NC(=O)OC(C)(C)C)[C@H](N)c1ccccc1O 1974794744 ADBJLQSKUUJKNK-FHTYSXSTSA-N 306.406 3.252 10 10 DGCE CN[C@H](c1ccccc1O)[C@H]1C[C@@H](C)CN1C(=O)OC(C)(C)C 1976296633 GDTICMMDZORSEE-XNRPHZJLSA-N 320.433 3.298 10 10 DGCE CC[C@H]([C@@H](N)c1ccc(N(C)C)cc1)N(C)C(=O)OC(C)(C)C 1977946548 VYTLIYWBZPBRIT-CVEARBPZSA-N 321.465 3.398 10 10 DGCE CCN[C@H](c1cnn(Cc2ccccc2)c1)c1ccccc1O 1978563823 ORKJCJJASIXLNT-LJQANCHMSA-N 307.397 3.336 10 10 DGCE CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1CN(CCCCN=[N+]=[N-])C2 1992180069 WISRYJVTGYTNHJ-CJNGLKHVSA-N 323.441 3.456 10 10 DGCE CN(Cc1cc(Br)ccc1O)[C@H]1CCC[C@H]1F 2006800538 BPJHCFKVGNEDDO-NEPJUHHUSA-N 302.187 3.477 10 10 DGCE C[C@H](N)c1ccc(N2C[C@H]3C[C@H]2[C@H]2C[C@H]32)c(Br)c1 2041531833 CTWIJFZGOBJDKG-BLYSDKNSSA-N 307.235 3.313 10 10 DGCE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCN=[N+]=[N-] 701287138 SBZLHKSFKRXLAB-SSDOTTSWSA-N 303.149 3.187 10 10 DGCE COCCN(CCF)[C@@H](C)c1cc(Br)ccc1O 697056872 VPSLYVTUXYTEDU-JTQLQIEISA-N 320.202 3.134 10 10 DGCE CN[C@H](C)c1ccc(N(C)Cc2nnc(C)s2)c(Cl)c1 697817359 CZAZPSPSPLKGJI-SECBINFHSA-N 310.854 3.417 10 10 DGCE C[C@H]1CN(Cc2ccccc2)C[C@H]1NCc1ccc2c(c1)CCO2 389866911 MALQOJFNDZGVRW-OXJNMPFZSA-N 322.452 3.232 10 10 DGCE COc1cccc(O)c1[C@H](C)n1nc(C2CCCC2)cc1CN 2070137931 HBYFKGZQYPQKGH-LBPRGKRZSA-N 315.417 3.323 10 10 DGCE CC(C)[C@H]1CN(c2cc(Cl)c(CN)cc2F)CCCO1 2177382179 XCQHCXNAADSGST-OAHLLOKOSA-N 300.805 3.189 10 10 DGCE CCOC(=O)c1c(CC)nn2c(O)cc(CC(CC)CC)nc12 2080848613 IOGXIIMWWMGMJK-UHFFFAOYSA-N 319.405 3.153 10 10 DGCE C[C@H](F)CN1CCN([C@@H](C)c2cc(Cl)ccc2O)CC1 2189987197 YZVSANFQOXAWEC-RYUDHWBXSA-N 300.805 3.082 10 10 DGCE O[C@@H]1CCc2cc(N3CCS[C@@H](C(F)(F)F)C3)ccc21 2184732310 SLCOCOLCDCJSEO-CHWSQXEVSA-N 303.349 3.150 10 10 DGCE Cc1cc(Br)ncc1CN1CCC[C@H]1CN=[N+]=[N-] 2059052037 WSEKLKMXMIYEEK-NSHDSACASA-N 310.199 3.427 10 10 DGCE CCNCc1ccc(N2CC=C[C@@H]2CF)cc1Br 2082876055 LLAXTXYAXMMYTM-CYBMUJFWSA-N 313.214 3.273 10 10 DGCE C[C@H](O)c1ccc(N2CCn3cccc3C2)cc1Br 2114548852 HCVJTBDXNVURAV-NSHDSACASA-N 321.218 3.324 10 10 DGCE C[C@@H](O)c1ccc(N(C)C[C@@H](F)[C@H]2CCOC2)c(Cl)c1 2238344596 XZLHEGJQOHZXKL-SCDSUCTJSA-N 301.789 3.204 10 10 DGCE O=C1NC(=S)SC1=Cc1cc(Br)ccc1F 2297312255 IVXRSNQKSXIEOS-UHFFFAOYSA-N 318.192 3.077 10 10 DGCE COc1cccc(C=C2SC(=S)N(C(C)C)C2=O)c1OC 2296681943 FHLUVHYMCPPASZ-UHFFFAOYSA-N 323.439 3.313 10 10 DGCE C[C@@H](N)c1ccc(N2CCN(CC(F)(F)F)CC2)c(Cl)c1 61941581 SEMITCQSTDEZOY-SNVBAGLBSA-N 321.774 3.044 10 10 DGCE Cc1cc(O)ccc1C(=O)NCc1ccc2c(c1)CCCN2C 129995772 PQRALFSYPXJNAN-UHFFFAOYSA-N 310.397 3.013 10 10 DGCE Cc1ccc(O)c(CN2CCC(c3nnc4ccccn34)CC2)c1 120925152 DJEXPLQVHDLAQF-UHFFFAOYSA-N 322.412 3.123 10 10 DGCE COc1ccc(CN[C@@H](C)[C@H](c2ccccc2)N(C)C)c(O)c1 185678780 FIBZDJDFLSYGKT-IFXJQAMLSA-N 314.429 3.182 10 10 DGCE CC[C@@H](c1cc(Br)ccc1O)N1CCC[C@H](N)C1 41027855 IAVHJERMJFDJHK-AAEUAGOBSA-N 313.239 3.029 10 10 DGCE Nc1ccc(CCC(=O)NCCSc2ccccc2)cc1 40308530 BBJOCCDBIGJJRM-UHFFFAOYSA-N 300.427 3.110 10 10 DGCE CC[C@H](CN[C@H](C)c1c(O)cccc1O)NC(=O)OC(C)(C)C 234022790 GDSRUXFBKDLKKP-VXGBXAGGSA-N 324.421 3.052 10 10 DGCE CCOc1cccc(/C=C2/SC(=S)N(CC)C2=O)c1OC 97990445 JBWBZWNBAJEXMA-FMIVXFBMSA-N 323.439 3.315 10 10 DGCE Oc1cccc2c1[C@@H](NC[C@H]1CCN1C1CCCCC1)CC2 527943771 BZQXJUSKNUGTDH-SJORKVTESA-N 300.446 3.376 10 10 DGCE CN1CC[C@H](NCc2ccc(N3CCCC3)cc2)[C@H]2CCC[C@H]21 367615548 LIFCDHOHLJOCRG-HSALFYBXSA-N 313.489 3.249 10 10 DGCE CC(C)n1ncc2c1C[C@H](NCc1cccc(Cl)c1O)CC2 369004602 XWDAJOXNADZVJG-CQSZACIVSA-N 319.836 3.470 10 10 DGCE OCCC1(CNCc2cc(Cl)c(F)cc2O)CCCC1 293561107 IDBUUHKXHWJZQX-UHFFFAOYSA-N 301.789 3.217 10 10 DGCE O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCCC1(F)F 806846759 WNDSUWCUTARCRQ-HNNXBMFYSA-N 321.371 3.050 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCC[C@](O)(C3CC3)C2)cc1 827151697 IGLJGNMTAUVSHJ-SIEMBAAWSA-N 300.446 3.003 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 827630130 FHNRHDCCYXMVMM-BZUAXINKSA-N 301.434 3.083 10 10 DGCE Cc1ccccc1[C@H](NC/C=C/c1ccc(N(C)C)cc1)C(=O)O 904033102 QQEKSIHCTBFLPK-FNQPIQQGSA-N 324.424 3.490 10 10 DGCE CC(=O)c1cc(F)cc(CN2CCC[C@]3(C2)CC3(F)F)c1O 844441335 XHISYANSUHWNQF-OAHLLOKOSA-N 313.319 3.355 10 10 DGCE Oc1c(F)cc(F)cc1CN[C@H]1c2ccccc2OC[C@H]1F 922520846 FTHCCNVIDWBIQF-HIFRSBDPSA-N 309.287 3.232 10 10 DGCE CN[C@H](C[C@H]1C[C@@H]1CNC(=O)OC(C)(C)C)c1ccccc1O 1899729129 QAJKFJZIPBEVMD-UMVBOHGHSA-N 320.433 3.204 10 10 DGCE CC(C)c1ncc(Cl)c(C(=O)NCc2c(O)cccc2F)n1 928712009 NBHRPHHJTIANIQ-UHFFFAOYSA-N 323.755 3.028 10 10 DGCE COc1cc(C)cc(CN2C[C@]34CCCC[C@]3(COC4)C2)c1O 853624041 LLAUNIJWPPRICQ-KDURUIRLSA-N 317.429 3.102 10 10 DGCE COc1cc(Cl)cc(CN[C@H]2CCS[C@@H](C)C2)c1O 1343288367 UHDJSXKTTHWPMH-CABZTGNLSA-N 301.839 3.428 10 10 DGCE C[C@H](N[C@H](C1CCC1)[C@H]1CCOC1)c1cc([N+](=O)[O-])ccc1O 866513022 RHGPUTCRVCPLKH-PLQHRBFRSA-N 320.389 3.156 10 10 DGCE CCOC(=O)c1cccc(CN(C)c2ccc(OC)c(F)c2)n1 862306852 PWQVACSFNICMDQ-UHFFFAOYSA-N 318.348 3.042 10 10 DGCE COc1cccc([C@H](C)NC[C@H]2CCC23CCOCC3)c1O 866532056 VIMOAZVPLXUPSY-UONOGXRCSA-N 305.418 3.258 10 10 DGCE C[C@@H]1C[C@H](N[C@@H]2[C@@H]3C[C@H]4[C@H](CO[C@H]42)C3)c2c(O)ccc(F)c21 866447136 ZDBLWWZOVMRZPC-KWJSBODPSA-N 303.377 3.093 10 10 DGCE Cc1cc(Br)cc(CN(C[C@@H](C)O)C(C)C)c1O 775680473 FYNMMMKPLFAPDN-LLVKDONJSA-N 316.239 3.054 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)CC(C)(C)COC(C)=O 777799796 DPFREBYKEFYUNV-UHFFFAOYSA-N 321.417 3.110 10 10 DGCE C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CC1(C)C 785427479 XQYSBWSEIUQWPD-ZFWWWQNUSA-N 306.425 3.187 10 10 DGCE Cc1ccccc1-n1c(C)cc(C(=O)N2CCC(=O)[C@H](C)C2)c1C 787908736 PNUQZQOIVGXQIC-CQSZACIVSA-N 324.424 3.454 10 10 DGCE O=C1CCN1c1ccc(NCc2cc(Cl)ccc2O)cc1 798501602 FAGVDCBTHVQLMN-UHFFFAOYSA-N 302.761 3.394 10 10 DGCE COc1cc(Cl)cc(CN[C@H]2CC[C@H](C)SC2)c1O 689560643 CQKFVMXMUCTYOD-CABZTGNLSA-N 301.839 3.428 10 10 DGCE O=C(O)C=Cc1ccc(N2CC[C@@H](F)C2)cc1Br 1912089000 IHPBWRSESQKKAJ-SNVBAGLBSA-N 314.154 3.095 10 10 DGCE CC[C@H](O)CCNC(=O)c1cc(C)ccc1-n1c(C)ccc1C 1566287843 UFCQKMHFKSMQEZ-INIZCTEOSA-N 314.429 3.293 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H](C[C@H](N)c2ccccc2O)C1 1928472804 UQWBQHWLRUWRJQ-JSGCOSHPSA-N 306.406 3.039 10 10 DGCE CCCC[C@H](NC(=O)OC(C)(C)C)[C@H](N)c1ccccc1O 1928469211 FWBOVAJUFIDOBZ-DZGCQCFKSA-N 308.422 3.476 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)c1cccc2c1CCOC2 1583820592 IPWNZWXZHZCYNY-UHFFFAOYSA-N 317.772 3.048 10 10 DGCE CC(C)CN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 5858997 GTERZIGSSVHHRI-AWNIVKPZSA-N 321.423 3.273 10 10 DGCE C[C@@H]1C[C@H]([C@H](N)c2ccccc2O)CN(C(=O)OC(C)(C)C)C1 1936969156 XIQAOXHLTNMGSK-WWGRRREGSA-N 320.433 3.285 10 10 DGCE C[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)[C@@H](CN)C1 235321197 KWBXBYVIKHMMGS-BXKDBHETSA-N 303.233 3.258 10 10 DGCE C[C@@H](N)c1ccc(N2CC[C@@](C)(F)C2)cc1Br 1946948075 ICNIQDCYMFWIRF-NOZJJQNGSA-N 301.203 3.407 10 10 DGCE CC(C)C1CN(c2ccc(CN)c(Br)c2F)C1 1946184999 AVAXTYGJLHIPQT-UHFFFAOYSA-N 301.203 3.139 10 10 DGCE Nc1cccc(Br)c1N[C@@H]1c2ccccc2C[C@@H]1O 1876672879 YQNIABGZZZUNQD-UONOGXRCSA-N 319.202 3.102 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@@]12CCOC[C@@H]1C2 1880208377 PAEYLRKLEVMCOH-HZMBPMFUSA-N 302.201 3.215 10 10 DGCE COc1ccc(Br)c(CN[C@H](C)CSC)c1O 1964046872 XMWTYXZPHGQQRY-MRVPVSSYSA-N 320.252 3.004 10 10 DGCE Oc1ccc(Cl)cc1CN[C@@H]1CCCC2(CC1)OCCO2 1967792008 KJRFVPRSEHQSPR-CQSZACIVSA-N 311.809 3.211 10 10 DGCE C[C@@H](c1ccc(N(C)C)cc1)N(Cc1ccccc1)C1CNC1 1976693848 RJVOKCHUGWINKR-INIZCTEOSA-N 309.457 3.288 10 10 DGCE CN(C)c1ccc([C@@H](O)C2(NC(=O)OC(C)(C)C)CCC2)cc1 1977938288 HVIWCJCVKLJPOT-OAHLLOKOSA-N 320.433 3.233 10 10 DGCE CC(C)(C)OC(=O)Nc1ccc(C(=O)NCCN=[N+]=[N-])cc1F 1985101746 XEZLCSQTCGRZRP-UHFFFAOYSA-N 323.328 3.213 10 10 DGCE C[C@H](N[C@H]1CC[C@@H]1NC(=O)OC(C)(C)C)c1cc(F)ccc1O 1986712593 MIUNNFHJWKODMH-BPNCWPANSA-N 324.396 3.238 10 10 DGCE CN(Cc1cnsc1)c1ccc(CO)c(C(F)(F)F)c1 2150305163 LHPIRTUCHLKLSS-UHFFFAOYSA-N 302.321 3.291 10 10 DGCE CC(C)(C)OC(=O)NC1CC([C@@H](F)[C@H](N)c2ccccc2O)C1 1992608172 LOCCVPQTFAVTJM-FWFPMQDGSA-N 324.396 3.033 10 10 DGCE CC(C)NCc1ccc(N2CCOC(F)(F)C2)c(Cl)c1 2152299129 XCHLHZOXDYSYEX-UHFFFAOYSA-N 304.768 3.267 10 10 DGCE CCOC(=O)c1cnn(-c2ccc(O)c(O)c2)c1C1CCCC1 2069798389 RVTAOUAQVSTCOF-UHFFFAOYSA-N 316.357 3.118 10 10 DGCE Nc1cc(Br)c(F)cc1NCc1ccccc1O 2071658339 LZSMQNAQKFYHAP-UHFFFAOYSA-N 311.154 3.488 10 10 DGCE CN(Cc1ccccc1O)c1ncc(F)cc1Br 2072448989 SPJBZBYABPBSDX-UHFFFAOYSA-N 311.154 3.325 10 10 DGCE Cc1c(Br)csc1C(=O)N1CC[C@H](N=[N+]=[N-])C1 2213769484 UWFPVDCFHJGKOB-ZETCQYMHSA-N 315.196 3.344 10 10 DGCE COc1ncc(Cl)cc1CNCc1ccc(Cl)cc1O 2232910207 XPEKTDKTYASJLO-UHFFFAOYSA-N 313.184 3.392 10 10 DGCE COc1cc(C)c(NC(=O)C=Cc2ccc(O)c(O)c2)cc1F 2309860214 FQNDPHQKZKKLPT-UHFFFAOYSA-N 317.316 3.206 10 10 DGCE CN(C(=O)c1cccc(Br)c1)c1ccc(N)cc1 20373825 SXNQSCKGTQECSF-UHFFFAOYSA-N 305.175 3.308 10 10 DGCE Nc1ccc(CC(=O)NCCc2csc3ccccc23)cc1 178429460 MSQTZFRULPGYPJ-UHFFFAOYSA-N 310.422 3.385 10 10 DGCE Cc1cccc2c(N[C@H](C)Cc3ccc(O)c(O)c3)ncnc12 184147867 FVYJKKAZXJPBAQ-GFCCVEGCSA-N 309.369 3.393 10 10 DGCE CCCOc1ccc(CN2CCC[C@@H](c3ccn[nH]3)C2)c(O)c1 121256210 WBEWWEBLCBSPSW-CQSZACIVSA-N 315.417 3.284 10 10 DGCE CC(C)OC(=O)c1ccc(NC(=O)Cc2ccc(N)cc2)cc1 319759758 VSHPIJWZZADKNC-UHFFFAOYSA-N 312.369 3.015 10 10 DGCE CCOc1ccc(O)c(CN[C@H](C)c2ccncc2OC)c1 189559629 RTAWWCSSUHVIEV-GFCCVEGCSA-N 302.374 3.045 10 10 DGCE Nc1ccc(NC(=O)CC[S@](=O)c2ccc(Cl)cc2)cc1 40960750 YGAFTROUOBRGRX-OAQYLSRUSA-N 322.817 3.059 10 10 DGCE Cc1nn(C)c(CN(Cc2ccc(N)cc2)C2CC2)c1Cl 89234569 HTLIBQKQJVNPBC-UHFFFAOYSA-N 304.825 3.129 10 10 DGCE C[C@@H](N)c1ccc(N(C)[C@@H]2CCSC2)cc1Br 235208594 KBQDADQXIAOXEU-MWLCHTKSSA-N 315.280 3.411 10 10 DGCE CCN(CC)c1ccc(CNc2nccn(C(F)F)c2=O)cc1 288029610 CQAHCELYFOVOBV-UHFFFAOYSA-N 322.359 3.097 10 10 DGCE COc1ncc(/C=C\C(=O)N2CC(C)(C)Cc3ccccc32)cn1 816902623 YQTGLFYQPGUCST-HJWRWDBZSA-N 323.396 3.114 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC1C[C@H]2C[C@@H]2C1 824859174 KMKRJCIWJQLXJW-HZPDHXFCSA-N 315.461 3.471 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@@]2(CO)CCc3ccccc32)cc1 835042316 SNXMADHFDIIQPX-YAQIIAKESA-N 322.452 3.189 10 10 DGCE CN(C)c1ccc(/C=C\CN2CC[C@@H](N3CCCCC3)C2)cc1 835027275 JSHNKVUUHKXCIM-PXDRNWIDSA-N 313.489 3.326 10 10 DGCE CN(C)c1ccc(/C=C\CNCCc2cn3ccccc3n2)cc1 835043070 OXWQSZJCUSHZJK-WAYWQWQTSA-N 320.440 3.246 10 10 DGCE O=C(NCc1cc(-c2ccccc2)no1)c1cc(O)cs1 732270709 FVDNOGUQFBIFHM-UHFFFAOYSA-N 300.339 3.039 10 10 DGCE CCCN(C)C[C@@H]1CCN(C/C=C\c2ccc(N(C)C)cc2)C1 835027124 BJQSDCNUTLPSRF-RURPWVQCSA-N 315.505 3.430 10 10 DGCE COc1cc(Cl)cc(CN[C@H]2C[C@@H](OC(C)(C)C)C2)c1O 843429094 UIPUQTHGPWFSFA-BETUJISGSA-N 313.825 3.490 10 10 DGCE CN(C)c1ccc(/C=C/CNCc2ccc(CN)cc2F)cc1 844907812 OBTAAQWFUYEWGP-ONEGZZNKSA-N 313.420 3.153 10 10 DGCE C[C@H]1CC[C@@]2(CCN(C(=O)NCCc3ccc(N)cc3)C2)C1 841959004 KECXVUGUOILCLR-KBXCAEBGSA-N 301.434 3.033 10 10 DGCE CCOc1cccc(CN[C@]2(CO)CCCC(C)(C)C2)c1O 858252093 WTWPNRUJOXHATN-GOSISDBHSA-N 307.434 3.212 10 10 DGCE O=S(=O)(/C=C\c1ccc(Cl)cc1)NCc1ccccc1O 751149239 OWUJASSJVFONSO-KTKRTIGZSA-N 323.801 3.136 10 10 DGCE Cc1cc(CCN[C@@H](C)c2cc3c(cc2O)CCCC3)nn1C 926910143 JPLXQCPAYIEBNM-AWEZNQCLSA-N 313.445 3.206 10 10 DGCE C[C@H](NC[C@H]1COc2ccccc2O1)c1cc(F)cc(F)c1O 756352493 TYYXZCAGDJMADZ-JQWIXIFHSA-N 321.323 3.161 10 10 DGCE COc1ccc(N2CC[C@H](N[C@@H](C)c3csc(C)n3)C2)cc1 850489141 RFPDRPQXVOEEQJ-JSGCOSHPSA-N 317.458 3.390 10 10 DGCE Oc1ccc(Cl)c(F)c1CN[C@@H](C1CCC1)[C@@H]1CCOC1 865761848 IMXQTYILNRNIRN-BZNIZROVSA-N 313.800 3.480 10 10 DGCE Cc1cc(CN2CC[C@H](C(=O)O)[C@@H]3CCC[C@H]32)ccc1N(C)C 863476270 YRVHOKRWNBLYMD-XYJFISCASA-N 316.445 3.136 10 10 DGCE CO[C@H](CNC(=O)N[C@@H](C)c1ccccc1O)c1ccccc1 868129890 UMNWMDKKIWFRHB-SUMWQHHRSA-N 314.385 3.140 10 10 DGCE CNC(=O)Cc1ccccc1NC/C=C\c1ccc(N(C)C)cc1 1117830556 FEOSHFQODHOITN-SREVYHEPSA-N 323.440 3.166 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@H]2CCNCC(C)(C)C2)cc1 872253979 NZXYKJPCSQKHCU-RTRPANQVSA-N 301.478 3.134 10 10 DGCE CCO[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C(C)C 1124905476 LATDFOKAHLBPGR-GOSISDBHSA-N 318.461 3.305 10 10 DGCE Oc1cc2c(cc1CN1CC[C@H](Cc3ccncc3)C1)CCC2 782291844 QHEFZHAVPWXQRR-MRXNPFEDSA-N 308.425 3.341 10 10 DGCE CO[C@@H]1CCC[C@H](NCc2ccc(N3CCSCC3)cc2)C1 792920760 BEIPPEOGCYKGRM-FUHWJXTLSA-N 320.502 3.287 10 10 DGCE CO[C@@H]1CC[C@@H](NCc2cc(C)cc(Br)c2O)C1 1343464731 QFOALMBNSKIEIM-VXGBXAGGSA-N 314.223 3.120 10 10 DGCE Cc1cccc(-n2c(C)cc(C(=O)Nc3[nH]nnc3C)c2C)c1 1454190888 VCGXVSNNNBJMDU-UHFFFAOYSA-N 309.373 3.081 10 10 DGCE C[C@H](NC(=O)N1CC[C@@H]2[C@H](C1)C2(F)F)c1ccc(N(C)C)cc1 1469854160 PRQGKEQBAHFHFP-GLQYFDAESA-N 323.387 3.110 10 10 DGCE CCCCN(C)c1ccc(CNC[C@@H]2CCCO2)cc1OC 212693521 SWGBHJSPNFAEQZ-INIZCTEOSA-N 306.450 3.200 10 10 DGCE Cc1ccc(C)c(OCC(=O)NCc2cc(Cl)ccc2O)c1 1628666899 LROXYMZOTXLLJU-UHFFFAOYSA-N 319.788 3.358 10 10 DGCE Cc1cc(C(=O)NCc2cc(Cl)ccc2O)cc([N+](=O)[O-])c1 1640920748 VGOYZLSWQLBVKU-UHFFFAOYSA-N 320.732 3.192 10 10 DGCE O=C(/C=C/c1cccnc1)N1CCCc2cc(F)c(F)c(F)c21 1584512862 TUACTYJYRJVNOS-AATRIKPKSA-N 318.298 3.492 10 10 DGCE COc1ccc(CNC/C=C\CNC(=O)[C@@H](C)C(C)C)cc1C 1669069328 GGMGTJQVRHCYRD-WLMCBFPDSA-N 318.461 3.058 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1CC12CCC2 1675794261 LTYQJDRJFSSYNJ-INIZCTEOSA-N 300.402 3.013 10 10 DGCE COc1ccc(CN[C@H]2C[C@@H](CNC(=O)C(C)(C)C)C2)cc1C 1688915538 ZFFQXNORSRTJQS-IYBDPMFKSA-N 318.461 3.034 10 10 DGCE Nc1ccc(CC(=O)N2CCCC[C@@H]2c2nccs2)cc1 167097518 MQVXHFGNXHAHDL-CQSZACIVSA-N 301.415 3.022 10 10 DGCE CON(CCN[C@@H](C)c1cc(C)ccc1O)C(=O)OC(C)(C)C 1936451587 AZIKEMUKTSQZMS-ZDUSSCGKSA-N 324.421 3.150 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@]21[C@@H](N)c1ccccc1O 1936967917 LPTKXKSCLLPNET-MRAWALMUSA-N 318.417 3.182 10 10 DGCE CN(C)c1ccc(CNCCC(=O)Nc2ccc(F)cc2)cc1 1857851365 OCIOFSUWYDMWRI-UHFFFAOYSA-N 315.392 3.010 10 10 DGCE CC1(C)CCN(Cc2cc(Cl)cc(Cl)c2O)[C@@H]1C(=O)O 1962966519 WYMFGZNNJVWYQG-GFCCVEGCSA-N 318.200 3.384 10 10 DGCE CC[C@H]1CCN(CCN=[N+]=[N-])[C@H](CNC(=O)OC(C)(C)C)C1 1962287636 LHHXKBQKHKKMFA-STQMWFEESA-N 311.430 3.312 10 10 DGCE COc1ccc(Br)c(CNCC=CCl)c1O 1964049606 VFKPYCVVAKGOTI-UHFFFAOYSA-N 306.587 3.005 10 10 DGCE CC[C@@H]1C[C@@H]([C@@H](N)c2ccccc2O)N(C(=O)OC(C)(C)C)C1 1976298451 UHMCFFCJNQSURQ-INWMFGNUSA-N 320.433 3.428 10 10 DGCE C[C@@H]1CN(c2ccc(N)cc2)C[C@@H]1CCNC(=O)OC(C)(C)C 1977890053 CTGJDFKUNFEHDV-KGLIPLIRSA-N 319.449 3.256 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCN(CCN=[N+]=[N-])C1 1982242442 NOVDXTGGMSOVNF-KGLIPLIRSA-N 323.441 3.408 10 10 DGCE C[C@@H](O)c1ccc(N2CCOC[C@H]2C(F)(F)F)c(Cl)c1 2150362551 MVKMYPMVHIWSGF-PELKAZGASA-N 309.715 3.161 10 10 DGCE C[C@H](NCc1c(O)cccc1Br)c1cnsc1 1998191701 XPYDTUWUQMIZCM-QMMMGPOBSA-N 313.220 3.462 10 10 DGCE CCOC(=O)[C@@](C)(CCCSc1nccs1)NC(C)C 45596125 YDIOQAQEKOFZIH-CQSZACIVSA-N 316.492 3.335 10 10 DGCE CN(CC(=O)c1ccc(O)c(O)c1)Cc1ccc(Cl)s1 50143986 WAHMTBVYLHZKRU-UHFFFAOYSA-N 311.790 3.127 10 10 DGCE CN(CC1[C@@H]2CCC[C@@H]12)c1ccc(CO)c(Br)c1 2032795000 NYDYGUSYBGOKIO-CHWSQXEVSA-N 310.235 3.424 10 10 DGCE CN(C)c1ccc([C@](C)(N)c2occc2Br)cc1 2037097782 BRWPYTLXFBITFS-AWEZNQCLSA-N 309.207 3.330 10 10 DGCE CCN(CCCCO)c1ccc([C@@H](C)N)c(Br)c1 2041181288 VHFTWZMAAAHRFX-LLVKDONJSA-N 315.255 3.068 10 10 DGCE C[C@@H](N[C@@H]1CCCCC12OCCO2)c1ccc(N(C)C)cc1 715672298 GAKOWCUNNUSJRJ-RHSMWYFYSA-N 304.434 3.089 10 10 DGCE CN(C)c1ccc(CN[C@H]2CCCC3(OCCO3)C2(C)C)cc1 2173013918 JCKARYROSFDIQL-KRWDZBQOSA-N 318.461 3.164 10 10 DGCE CCCN[C@H](C)c1ccc(N(C)CC[S@@](C)=O)cc1Cl 399048068 WVBYJKMHTDLDTL-MPBGBICISA-N 316.898 3.215 10 10 DGCE NCc1ccc2c(c1)CCCN2CC1(Br)CCC1 2049200953 OVUBFAZDJLNMBW-UHFFFAOYSA-N 309.251 3.216 10 10 DGCE COC[C@]1(C)CCN1c1ccc([C@@H](C)O)c(Br)c1 2055909083 FLMLVISVUYBTEF-YGRLFVJLSA-N 314.223 3.118 10 10 DGCE C[C@H](F)[C@H]1CCCN1c1ccc(CN)c(Br)c1F 2060888852 SNHQHUDRPILBIT-WCBMZHEXSA-N 319.193 3.374 10 10 DGCE C[C@@H]1[C@@H](Nc2c(N)cccc2Br)CCN(C)[C@@H]1C 2073372098 LUWQNXRIBOORDG-CWSCBRNRSA-N 312.255 3.172 10 10 DGCE CN(CC1(Cl)CC1)c1ccc(CO)c(Br)c1 2212042843 QGVACGQXWTWMLA-UHFFFAOYSA-N 304.615 3.149 10 10 DGCE CC[C@@H](C)NCc1cnc(SCCCC(=O)OC)s1 2231621037 FARYOUWZLJXKLL-SNVBAGLBSA-N 302.465 3.077 10 10 DGCE CSc1ncc(CNc2cnc(Br)cn2)s1 2243824976 LFCGWNIVHSGUQI-UHFFFAOYSA-N 317.237 3.030 10 10 DGCE CN(C(=O)C=Cc1cnc2ccccc2n1)c1ccccc1F 2297438005 YDNGZHWAHGGJRC-UHFFFAOYSA-N 307.328 3.445 10 10 DGCE C[C@H](Nc1cccc(NS(C)(=O)=O)c1)c1cc(F)ccc1O 176982128 NQJOKHJNCXJSHA-JTQLQIEISA-N 324.377 3.076 10 10 DGCE COc1ccc(Cc2noc(/C=C/c3ccc(O)c(O)c3)n2)cc1 185186208 IVCXXISSVBKPBF-WEVVVXLNSA-N 324.336 3.251 10 10 DGCE CC(=O)c1cc(F)cc(CN(C)Cc2ccc(Cl)nc2)c1O 79438229 VPOOWDSGBHYBHW-UHFFFAOYSA-N 322.767 3.414 10 10 DGCE COc1cc(C)cc(CN2CCC[C@H](C(F)(F)F)C2)c1O 192483989 VVOQZXPHVBJRKI-LBPRGKRZSA-N 303.324 3.484 10 10 DGCE Cc1c(/C=C/C(=O)N2C[C@@H](C)Sc3ccccc32)cnn1C 132493900 VCOYGDFBOKIPOC-IDVQTMNDSA-N 313.426 3.269 10 10 DGCE c1cc(N2CCOCC2)ccc1CN[C@@H]1CC[C@@H]1C1CCC1 800968479 OUARFKQFNUVGHX-RTBURBONSA-N 300.446 3.192 10 10 DGCE C[C@@H](O)CCNCc1ccc(N(C)Cc2cccs2)cc1 295592211 FGXIRPZACWHDBC-CQSZACIVSA-N 304.459 3.245 10 10 DGCE C[C@H](N[C@@H]1CCOC1(C)C)c1ccc(Br)cc1O 296279068 DYOVECUSJAXAQM-TVQRCGJNSA-N 314.223 3.373 10 10 DGCE CCCCc1ccc(N(C)C(=O)c2ccnc3c2CC(=O)N3)cc1 829589525 JJOYZBLTSMHZLR-UHFFFAOYSA-N 323.396 3.195 10 10 DGCE OCc1ccc(N2CCS[C@@H](C(F)(F)F)C2)cc1Cl 721383341 MCDRDYFUSSSALM-LLVKDONJSA-N 311.756 3.316 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)NCCC1CCCC1 734520963 MEZMBQOLQRGZTG-UHFFFAOYSA-N 303.450 3.441 10 10 DGCE CO[C@H](CCNC/C=C\c1ccc(N(C)C)cc1)C(F)(F)F 835049426 DNGCKJOCCXAQRL-FOSCPCJNSA-N 316.367 3.323 10 10 DGCE Cc1cc(N(C)C)ccc1CNc1cn(C)nc1-c1ccccn1 840936917 OFXSWKUEGUFOGQ-UHFFFAOYSA-N 321.428 3.469 10 10 DGCE Cc1cc(O)c(CN2CCN(CC(F)(F)F)CC2)c(Cl)c1 840909593 JRGICMBBBIKAJD-UHFFFAOYSA-N 322.758 3.034 10 10 DGCE Cc1cc(N(C)C)ccc1CN1CCCC[C@@H]1[C@H]1CCNC1 841086257 GRTMPRZDJRSMQZ-QFBILLFUSA-N 301.478 3.025 10 10 DGCE CC[C@@H](COCC1CC1)NCc1c(O)ccc(Cl)c1F 850351662 QVJISFNNHYOKCJ-NSHDSACASA-N 301.789 3.480 10 10 DGCE C[C@@H](N[C@H](CO)C1CCC1)c1ccc(N2CCCCC2)cc1 850486314 AREPDVXMEGKLHN-DNVCBOLYSA-N 302.462 3.489 10 10 DGCE Cc1nc(C)c(CNCc2ccc(N3CCSCC3)cc2)o1 862273407 GVSVZEPORZNWHT-UHFFFAOYSA-N 317.458 3.134 10 10 DGCE CN(C)c1cc(F)c(CN2CCO[C@@](C)(C3CC3)C2)cc1F 862409518 UQBRCLJBJKCALR-QGZVFWFLSA-N 310.388 3.032 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)c1c(Cl)ccnc1F 1123571077 MVBXBGDPIQFYDU-UHFFFAOYSA-N 321.783 3.179 10 10 DGCE Cc1ncc(/C=C\C(=O)N2CCOc3c2ccc(F)c3F)s1 1129796560 CXIPSZRUPYHPRX-DJWKRKHSSA-N 322.336 3.169 10 10 DGCE CCN(CC)c1ccc(CN(C)Cc2cnn(C)c2C)cc1F 790938916 PAWWKANFMQZVMF-UHFFFAOYSA-N 318.440 3.346 10 10 DGCE COc1ccc(CNC(=O)/C(C)=C/c2ccc(C)cc2)c(O)c1 794389677 CDKANJNPFCRYOA-GXDHUFHOSA-N 311.381 3.429 10 10 DGCE Cc1cnc(CNC(=O)c2cc3cc(O)c(O)cc3s2)s1 1136827033 LDNRXKYGRVSASL-UHFFFAOYSA-N 320.395 3.007 10 10 DGCE CN(C)c1ccc([C@@H](N)c2c(F)cncc2Br)cc1 686935412 OPZFAKZDZZNKMD-CQSZACIVSA-N 324.197 3.097 10 10 DGCE C[C@@H](O)c1ccc(N2CCO[C@H](C(F)F)CC2)c(Cl)c1 687553758 OVZDCLVVGSPWSC-RNCFNFMXSA-N 305.752 3.254 10 10 DGCE Cc1ccc([C@@H](C)CNC(=O)c2c(F)ccc(O)c2O)cc1 1306607586 BADIWTCBAYBOAE-NSHDSACASA-N 303.333 3.079 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCCc3cccnc32)cc1 1179734230 QNHWZOPADBSZKP-AWEZNQCLSA-N 323.356 3.051 10 10 DGCE Cc1cc(C(=O)N(C)Cc2ccccc2O)oc1Br 1566304495 IXTHBCRRCJMFGO-UHFFFAOYSA-N 324.174 3.328 10 10 DGCE CCOc1ccc(N(Cc2n[nH]c(CC)n2)CC2CC2)cc1 1196952343 GCWHKCDIDMONIQ-UHFFFAOYSA-N 300.406 3.182 10 10 DGCE C[C@H](O)c1ccc(N(Cc2ccccc2)[C@@H]2CCOC2)cc1O 1915440677 ZVBOPTUMYHNVQJ-WMLDXEAASA-N 313.397 3.241 10 10 DGCE NCc1ccc(N2CC[C@@H]2C(F)(F)F)cc1Br 1916194549 KWTKMCWGDOETIY-SNVBAGLBSA-N 309.129 3.049 10 10 DGCE C[C@H](C(=O)O)C1=CCC(=S)C(OC(=O)Cc2ccccc2)=C1 1616057395 HKGXEFXPCXNQQR-NSHDSACASA-N 316.378 3.077 10 10 DGCE CN(C)c1ccc(Cn2c(=O)sc3c(F)cccc32)cc1 1473035889 XPHGXZXFIGCOPU-UHFFFAOYSA-N 302.374 3.316 10 10 DGCE Cc1ccccc1[C@@H]1C[C@H]1NC(=O)/C=C\c1ccc(O)c(O)c1 1628590342 XMBWUZDWRFAOKJ-LTSYXSSYSA-N 309.365 3.092 10 10 DGCE COc1ccc(N(C)CC(=O)N(C)[C@@H]2CCCC[C@@H]2C)cc1 1559970047 ZVWBXAVMWKAHEX-WMLDXEAASA-N 304.434 3.169 10 10 DGCE O=C(NCc1ccc(O)cc1O)[C@@H]1CCc2c(Cl)cccc21 1630302318 XOGHEYLNMHWHGN-CQSZACIVSA-N 317.772 3.097 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@@H](CC(C)C)OC)cc1F 1585697758 ABVWYBXTNOUYEF-QGZVFWFLSA-N 324.440 3.349 10 10 DGCE C[C@H](NC(=O)c1ccc(N(C)C)c(F)c1)c1ccccc1O 1587451247 NEAOYGBDHRUAFH-NSHDSACASA-N 302.349 3.088 10 10 DGCE COC(=O)COc1ccc(N(C)Cc2c(C)cccc2C)cc1 1654114177 YNJYWYJHUQBTPR-UHFFFAOYSA-N 313.397 3.492 10 10 DGCE C/C(=C/c1ccc(F)cc1)C(=O)NCc1c(O)cccc1F 1652298400 JOPDFNLUQDFQHK-LUAWRHEFSA-N 303.308 3.390 10 10 DGCE O=C(NCc1c(O)cccc1F)[C@H]1C[C@]1(F)c1ccccc1 1652298716 OLLHHNXSZJTJSD-DYVFJYSZSA-N 303.308 3.032 10 10 DGCE COc1ccc(CNCC[C@H](C)NC(=O)[C@@H](C)C2CC2)cc1C 1668015041 DWQCRWWZSZCTPG-GJZGRUSLSA-N 318.461 3.034 10 10 DGCE CCCCC[C@H](O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 1595318106 LEUKUBRMEKJBJM-SFHVURJKSA-N 318.461 3.185 10 10 DGCE NC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1O)N2 14473795 QPKZKAAFIFBJDI-ZJNRKIDTSA-N 306.365 3.318 10 10 DGCE CC1=NN(Cc2cccc(Cl)c2)C(=O)/C1=C/c1cccn1C 1865670557 GAUAPFHLGALLTQ-MHWRWJLKSA-N 313.788 3.480 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H]2CN(CCN=[N+]=[N-])CC[C@@H]21 1962287607 KXOFNFDNXLUFHU-OLZOCXBDSA-N 309.414 3.018 10 10 DGCE Cc1ccc(CNCC(C)(C)N(C)C(=O)OC(C)(C)C)c(O)c1 1994457818 IKCRERUSFWWBNC-UHFFFAOYSA-N 322.449 3.436 10 10 DGCE CC(C)(C)CS(=O)(=O)Nc1ccc(O)c(C(F)(F)F)c1 2152907417 PZHFQAAVAFUPQM-UHFFFAOYSA-N 311.325 3.199 10 10 DGCE C[C@H]1CN(Cc2cc(Br)ccc2O)[C@@H](C)CCO1 2031607122 LQDHZGLTPXPVIC-QWRGUYRKSA-N 314.223 3.154 10 10 DGCE Oc1c(CNc2cccnc2Br)ccc(F)c1F 703290745 IVFCNFNOQJMGQV-UHFFFAOYSA-N 315.117 3.440 10 10 DGCE Cc1cccc(CNCc2ccc(Br)cc2O)n1 691443147 HHEXHIAQDGEJIL-UHFFFAOYSA-N 307.191 3.148 10 10 DGCE C[C@@H]1CCSCCN1c1ccc(CN)cc1C(F)(F)F 385490740 FGAQPGJXZUPQPV-SNVBAGLBSA-N 304.381 3.496 10 10 DGCE Nc1ccc(N2CCN(Cc3cscc3Cl)C2=O)cc1 2176865910 XUENRXKJJKJGKE-UHFFFAOYSA-N 307.806 3.426 10 10 DGCE CCCNCc1ccc(N2CCOC[C@H]2CF)cc1Cl 2182601288 YMEQQVNCXFFUJQ-CQSZACIVSA-N 300.805 3.014 10 10 DGCE Nc1ccc(COc2cc(Br)c(F)cc2N)cc1 2078202562 ZFCQLXVWHQRMNT-UHFFFAOYSA-N 311.154 3.332 10 10 DGCE CN[C@H](C[C@@]1(C)CCN1C(=O)OC(C)(C)C)c1ccccc1O 2211939648 LDHRECNTWCRGIZ-RDTXWAMCSA-N 320.433 3.442 10 10 DGCE CC(=C1SC(N2C[C@H](C)O[C@@H](C)C2)=NC1=O)c1ccccc1 2293618979 NWIBIQZUFDWWQW-RYUDHWBXSA-N 316.426 3.156 10 10 DGCE CSc1ncc(CNc2[nH]c(=N)nc3sc(C)cc23)s1 2284712912 OCLZGTZKVIVHOS-UHFFFAOYSA-N 323.472 3.203 10 10 DGCE Cc1cccc2nc(CC(=O)O)c(N=Nc3cccc(O)c3)n12 2295926760 XKRIELKHDWEGRS-UHFFFAOYSA-N 310.313 3.391 10 10 DGCE COCCCN1C(=O)C(=Cc2cccc(F)c2)SC1=S 2296522387 TVBKDOHMANCSLU-UHFFFAOYSA-N 311.403 3.063 10 10 DGCE Cc1ncc(C=CC(=O)N(CCN(C)C)c2ccccc2)s1 2297542322 MSFDLGKZMZRIHR-UHFFFAOYSA-N 315.442 3.060 10 10 DGCE Cc1cc(C)cc(CCNC(=O)C=Cc2ccc(O)c(O)c2)c1 2308001479 MNPDVINMDYYORO-UHFFFAOYSA-N 311.381 3.087 10 10 DGCE CC(C)c1nc2n(n1)CCC[C@@H]2N[C@H](C)c1ccccc1O 183552458 SEOUUKAFAYWZHW-OCCSQVGLSA-N 300.406 3.293 10 10 DGCE Cc1noc([C@H](N[C@@H](C)c2ccc(F)c(F)c2O)C(C)C)n1 187719181 CVULRCXGQKKWER-ISVAXAHUSA-N 311.332 3.410 10 10 DGCE CN(C)c1ccc([C@H](Nc2ccccc2Cl)C(N)=O)cc1 37942301 VEHGZJJBNJHTGF-HNNXBMFYSA-N 303.793 3.045 10 10 DGCE COc1ccc(OC)c([C@H](C)NCc2ccc3c(c2)CCO3)c1 43288573 ICFYTBLWUCWQDZ-ZDUSSCGKSA-N 313.397 3.490 10 10 DGCE Cc1cnc([C@@H](C)NCc2cccc(Br)c2O)o1 227556191 MFEZOICRDHJGTG-SECBINFHSA-N 311.179 3.302 10 10 DGCE Cc1ccc([C@H](C)NC[C@@H](n2cccn2)C(F)(F)F)c(O)c1 527928698 COLVLUOYBNQLDW-SMDDNHRTSA-N 313.323 3.351 10 10 DGCE Cc1cc(Cl)cc(CN2CCC(c3ncc[nH]3)CC2)c1O 271735343 OLBGPTKNRFWHMX-UHFFFAOYSA-N 305.809 3.457 10 10 DGCE C[C@@H](NC[C@H](O)C(F)(F)F)c1ccc(Cl)c(Cl)c1O 273432604 WCXGFSSMJLHHQC-XRGYYRRGSA-N 318.122 3.273 10 10 DGCE c1cc(N2CCCCC2)ccc1CN[C@@H]1CCN2CCC[C@H]2C1 393443740 ZYZPXCLEBASQDT-QUCCMNQESA-N 313.489 3.393 10 10 DGCE CCOc1ccc(CN2CCC(=O)Nc3ccccc32)c(O)c1 811508154 CURNRLBIYFRCNB-UHFFFAOYSA-N 312.369 3.140 10 10 DGCE CN(C/C=C\c1ccc(N(C)C)cc1)C[C@@H]1CCCC[C@@H]1O 835043692 BETYYTFYLZVMTM-OIIZEAPSSA-N 302.462 3.249 10 10 DGCE COc1ccc(N2CCC(NC(=O)/C=C/C(C)(C)C)CC2)cc1 731903056 ZNSUZWNGNALUNC-FMIVXFBMSA-N 316.445 3.383 10 10 DGCE CCOc1cccc(CNC[C@H]2CCC3(CCCC3)O2)c1O 848576749 VYLSSKVSWMLQND-OAHLLOKOSA-N 305.418 3.372 10 10 DGCE Cc1cc(CN2CCN(C3CC3)CC2)c(O)c(C(C)(C)C)c1 749674852 DSMZZFKHZVOCEG-UHFFFAOYSA-N 302.462 3.278 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H](C)CC[C@@H]1C 745828139 OMGHPAQNOJTUFC-HIFRSBDPSA-N 303.450 3.391 10 10 DGCE Cc1nocc1/C=C1/SC(=S)N([C@@H]2C[C@H]3CC[C@H]2C3)C1=O 841497837 YYJNDRZPORDFNG-FJICVGJMSA-N 320.439 3.373 10 10 DGCE CN(C)c1ccc(CN2CCOC[C@H]2c2cccc(F)c2)cc1 852549849 PVAKEDMISWHITF-IBGZPJMESA-N 314.404 3.465 10 10 DGCE COC(=O)c1ccc(O)c([C@@H](C)NCc2ccc(Cl)o2)c1 756791926 YVMVGXLBRWPHQZ-SECBINFHSA-N 309.749 3.276 10 10 DGCE CCN(CC)c1ccc(CN[C@@H](C)c2nn(CC)nc2C)cc1 924710464 LHNJUXGBYGSWEV-AWEZNQCLSA-N 315.465 3.303 10 10 DGCE CC[C@H](NC[C@@H](OC)[C@H]1CCOC1)c1cccc(Cl)c1O 850485214 ZAZKYQOSPFDZAO-TUKIKUTGSA-N 313.825 3.138 10 10 DGCE C[C@@H](NC(=O)N[C@H](C1CCC1)[C@@H]1CCCO1)c1ccccc1O 868988704 AZIIZEGSKZSRHV-OAUYIBNBSA-N 318.417 3.100 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)C(C)(C)[C@@H]1CCCCO1 865903762 GLQCAWPSZORCCV-KRWDZBQOSA-N 318.461 3.273 10 10 DGCE O=C([C@H]1C[C@H]1c1c(F)cccc1F)N1Cc2cccc(O)c2C1 871203366 YXJODSSONOANLV-NEPJUHHUSA-N 315.319 3.316 10 10 DGCE CN(C)c1ccc(CN2CC[C@H](C(C)(C)C)[C@@H](O)C2)cc1F 779432113 KOWPMHVDHRIWMS-YOEHRIQHSA-N 308.441 3.121 10 10 DGCE C[C@H](NCCCCN(C)C)c1cccc(C(F)(F)F)c1O 788574405 SZLURFALCMJYCU-NSHDSACASA-N 304.356 3.403 10 10 DGCE CCC(O)(CC)CNCc1cc(C)cc(Br)c1O 781628111 IXRPEXWJTJPVKL-UHFFFAOYSA-N 316.239 3.104 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@@H]1CCC(F)(F)C1 797901221 DIAUHUOLSUUJEI-LBPRGKRZSA-N 324.371 3.304 10 10 DGCE Nc1ccc(OCCC[S@](=O)c2ccccc2Cl)cc1 40961687 FDOUUICQBJGPFA-HXUWFJFHSA-N 309.818 3.499 10 10 DGCE Cc1cccc(CNCCCCCNC(=O)OC(C)(C)C)c1O 397814273 QLODOBGKSCBBHZ-UHFFFAOYSA-N 322.449 3.485 10 10 DGCE C[C@H](O)c1ccc(N(C)CC2CSC2)cc1Br 718413311 PCPVRRIISDYOFA-VIFPVBQESA-N 316.264 3.302 10 10 DGCE CCCCN(CCN1C[C@@H](C)O[C@H](C)C1)Cc1ccccc1O 1307722776 ZPXBPTJHYNWYFM-IAGOWNOFSA-N 320.477 3.104 10 10 DGCE CC[C@H](NC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)C1CC1 1312884991 LGABQJUVNKWVAK-KDOFPFPSSA-N 317.477 3.480 10 10 DGCE CCc1c(C(=O)NCc2ccc(O)cc2O)oc2ccccc12 1162277929 DLGJAXSXMRXMJR-UHFFFAOYSA-N 311.337 3.336 10 10 DGCE C[C@]1(c2ccccc2)CCCN1C(=O)Cc1ccc(O)c(O)c1 1176046519 OVQQKLDQQDPWFT-LJQANCHMSA-N 311.381 3.178 10 10 DGCE CN(CCc1ccc2c(c1)OCO2)Cc1ccc(N(C)C)cc1 1197837313 RCIYIBJUVDJKKC-UHFFFAOYSA-N 312.413 3.156 10 10 DGCE CN(C)c1ccc(CNC(=O)[C@@H]2CC[C@H]3[C@H](C2)C3(F)F)cc1 1351256070 MIFZQXFMNYZRAE-SNPRPXQTSA-N 308.372 3.050 10 10 DGCE CCc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CC1(C)C 1546421584 KRUWMQQWXLFXBS-CQSZACIVSA-N 314.433 3.229 10 10 DGCE COC(=O)/C=C/c1ccc(N(C)C[C@H]2CC2(C)C)c([N+](=O)[O-])c1 1612651459 ZKKMOQKLHXSHOR-STMXVASLSA-N 318.373 3.263 10 10 DGCE CCC1(NCc2cccc(F)c2O)CN(C(=O)OC(C)(C)C)C1 1922217526 BSZVRFCBEPRMOH-UHFFFAOYSA-N 324.396 3.020 10 10 DGCE C/C(=C\C(=O)NCc1ccc(O)cc1O)c1cccc(Cl)c1 1626838370 ZEKURFJBUNTYQO-YRNVUSSQSA-N 317.772 3.471 10 10 DGCE CCn1nc(C)cc1C(=O)NCc1c(O)ccc2ccccc12 1558553960 HJTILUHCWISXDF-UHFFFAOYSA-N 309.369 3.000 10 10 DGCE O=C(NCc1ccc(O)cc1O)C1(c2ccc(Cl)cc2)CC1 1638352207 LXGQSODSZYYUIS-UHFFFAOYSA-N 317.772 3.099 10 10 DGCE CCNc1cccnc1C(=O)NCc1c(O)ccc2ccccc12 1645442826 AKVFNAFWYDEJRF-UHFFFAOYSA-N 321.380 3.302 10 10 DGCE CCOc1ccc(N2CCN(C[C@H](OCC)C3CC3)CC2)cc1 1652963904 CSZKCHGOWJTMIY-IBGZPJMESA-N 318.461 3.022 10 10 DGCE CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1[C@@H](N)c1ccccc1O 1929718626 PGKHYIZXNGAHQI-UONOGXRCSA-N 306.406 3.038 10 10 DGCE Brc1ccc(CNCc2ccc3c(c2)CCO3)cn1 1661223830 DGHOXXLACFJRON-UHFFFAOYSA-N 319.202 3.069 10 10 DGCE Cc1ccsc1/C=C1/SC(N2C[C@H](C)O[C@H](C)C2)=NC1=O 13496266 CXSCXXJSWFBCQD-JAFZBNKISA-N 322.455 3.136 10 10 DGCE Oc1c(Cl)cccc1CN1CCC(CN2CCCC2)CC1 158026772 ICJBQPATEMTOAF-UHFFFAOYSA-N 308.853 3.353 10 10 DGCE CN(Cc1ccc(N)cc1)C(=O)[C@@H]1CCCc2sccc21 168233374 JUZUHDXEFRCEFE-OAHLLOKOSA-N 300.427 3.409 10 10 DGCE COC[C@H](NC(=O)c1cc(C)n(-c2ccccc2)c1C)C1CC1 155421212 YZDKAPVYPOKAEG-SFHVURJKSA-N 312.413 3.249 10 10 DGCE O=C(O)Cn1cc(/C=C2\C(=O)Nc3ccccc32)c2ccccc21 3648252 HXLYVWDEHNLSIK-DHDCSXOGSA-N 318.332 3.219 10 10 DGCE Cc1nc2ccccn2c1/C=C1/SC(=S)N(C(C)C)C1=O 1858586727 ICQMCVBHRNOOJR-XYOKQWHBSA-N 317.439 3.252 10 10 DGCE CC(C)COc1cccnc1NC(=O)Oc1ccc(N)cc1 1858691218 QVYQWDPZWQEQPH-UHFFFAOYSA-N 301.346 3.310 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H](C1CCC1)[C@@H](N)c1ccccc1O 1936986488 IKUWWBCVGVVHFZ-HOCLYGCPSA-N 320.433 3.333 10 10 DGCE C[C@H](NCc1nccn1Cc1ccccc1)c1c(O)cccc1O 1942380104 KWXJSJCMQLVVTN-AWEZNQCLSA-N 323.396 3.193 10 10 DGCE COc1cc(Cl)cc(CNC[C@H]2C[C@@]23CC3(F)F)c1O 1876078717 QGBNDFIIBNSBNO-NOZJJQNGSA-N 303.736 3.189 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN1Cc1nc(Br)cs1 1902657154 SQGLDWVYTUBWCG-SSDOTTSWSA-N 302.201 3.180 10 10 DGCE COc1ccc(Br)c(CN[C@H](C)C2CC2)c1O 1964023359 LNOXEYYUIWBMRJ-MRVPVSSYSA-N 300.196 3.051 10 10 DGCE CN(Cc1ccc(N)cc1)C[C@H]1CCCN1C(=O)OC(C)(C)C 1977927303 UQDRDKGBUOWIKJ-MRXNPFEDSA-N 319.449 3.100 10 10 DGCE CN(C)c1ccc([C@H](O)C[C@@H]2CCN2C(=O)OC(C)(C)C)cc1 1979100924 GWCFRGJSCCGRON-JKSUJKDBSA-N 320.433 3.186 10 10 DGCE Cc1cc(CO)ccc1N1C[C@@H]2CCN(Cc3ccccc3)[C@H]2C1 2015069498 UQWAGZAERHNGPI-FPOVZHCZSA-N 322.452 3.198 10 10 DGCE CC(C)OC(C)(C)CNCc1cc(Br)ccc1O 2032079936 CQFBWXVBEXMLGD-UHFFFAOYSA-N 316.239 3.448 10 10 DGCE CN[C@@H](C)c1ccc(N2C[C@H]3C[C@H]2CN3Cc2ccccc2)cc1 310392374 GMFARZOLVPUYGT-DQLDELGASA-N 321.468 3.430 10 10 DGCE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCN=[N+]=[N-] 701287139 SBZLHKSFKRXLAB-ZETCQYMHSA-N 303.149 3.187 10 10 DGCE COc1cnn([C@@H](C)c2ccc(C)cc2O)c1Br 2070289460 FXILXJQBYWMZMT-VIFPVBQESA-N 311.179 3.278 10 10 DGCE C[C@@H]1CN(c2ccc(OC(F)(F)F)cc2Cl)C[C@@H]1CN 2169441808 PSIUKMWXQYMGPZ-BDAKNGLRSA-N 308.731 3.270 10 10 DGCE CCc1nn(Cc2ccc(C)cc2O)c(C(F)F)c1[N+](=O)[O-] 2078998330 DNGSMMHTSQUARC-UHFFFAOYSA-N 311.288 3.354 10 10 DGCE CCC(CC)Cc1cc(O)n2nc(C(C)(C)C)c(C(=O)O)c2n1 2080882511 RQIRNYJLNWMGLB-UHFFFAOYSA-N 319.405 3.409 10 10 DGCE Oc1c(F)cc(F)cc1CNCc1csc(C(F)F)n1 2188751956 DAXPOKUYPCJUKH-UHFFFAOYSA-N 306.284 3.354 10 10 DGCE CC[C@]1(C)C[C@@H](N(C)c2cc(Cl)c(CN)cc2F)CO1 2189339064 PYUREWTVCDOTBZ-IAQYHMDHSA-N 300.805 3.332 10 10 DGCE COc1cc(Br)c(F)cc1Oc1ccc(N)cn1 2086313828 YLXGFMBVGWQXSD-UHFFFAOYSA-N 313.126 3.366 10 10 DGCE CCN[C@@H](CC1(C)OCCO1)c1ccc(N2CCCC2)cc1 2353348287 NSDBRBIFZGCQTA-KRWDZBQOSA-N 304.434 3.091 10 10 DGCE Nc1cccc(Br)c1N[C@@H](C(F)F)[C@@H]1CCOC1 2223203100 BJZCHIDOMHBIPK-GMSGAONNSA-N 321.165 3.113 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NC(=O)c1cc(Cl)ncc1Cl 2225800710 RWIPLMPYTMYAGC-DTWKUNHWSA-N 300.149 3.350 10 10 DGCE COc1ncc(CN(C)c2ccc([C@@H](C)O)cc2Cl)s1 2239980504 YRIXLAGBNSMPEQ-SECBINFHSA-N 312.822 3.495 10 10 DGCE Oc1c(Br)cccc1CN[C@@H]1CCC[C@H]1CF 2251068367 KAQQQQJGBOEJEW-JOYOIKCWSA-N 302.187 3.383 10 10 DGCE CCCN(C[C@H](C)O)c1ccc([C@@H](C)N)c(Br)c1 2259722727 SMHKUKOEKFRXAF-WDEREUQCSA-N 315.255 3.066 10 10 DGCE CC[C@H]1CNC2(CCCC2)CN1Cc1cnc(SC)s1 2284678032 TUFUNPOFVVEIIF-LBPRGKRZSA-N 311.520 3.362 10 10 DGCE CCN(C(=O)C=Cc1cnn(C)c1C)c1ccc(F)c(F)c1 2304146687 DGXFQMLYDGSJHJ-UHFFFAOYSA-N 305.328 3.073 10 10 DGCE CCOCCCN1C(=O)C(=Cc2cccc(O)c2)SC1=S 2323791570 YWJLAICJBFEBFS-UHFFFAOYSA-N 323.439 3.020 10 10 DGCE CC1=NN(Cc2ccc(C)cc2)C(=O)C1=Cc1ccc(O)c(O)c1 2332094554 RWBFAHXNRCMOLO-UHFFFAOYSA-N 322.364 3.208 10 10 DGCE Cc1ccc(CN(C)[C@@H]2CCC(=O)C2)c(O)c1Br 2327789013 IRQFOXXSQSJDPW-LLVKDONJSA-N 312.207 3.017 10 10 DGCE C[C@H](CNCc1ccc(N(C)C)cc1)CNC(=O)OC(C)(C)C 309725034 PHDSFPUZIMLMFC-CQSZACIVSA-N 321.465 3.003 10 10 DGCE Cc1cc(O)c(CN2CCC(C(=O)N(C)C)CC2)cc1C(C)C 120060116 IMBVQYRKNAACTI-UHFFFAOYSA-N 318.461 3.124 10 10 DGCE CCc1cccc(C)c1NC(=O)Nc1cc(O)c(O)c(O)c1 217278717 RKBGJZDMWLMPDY-UHFFFAOYSA-N 302.330 3.318 10 10 DGCE Cc1cnn(-c2ccncc2NCc2ccc3c(c2)CCN3C)c1 182667982 SHMYYKWSBYOEOZ-UHFFFAOYSA-N 319.412 3.180 10 10 DGCE Cc1cccc([C@H]2C[C@H](N)CCN2C(=O)OC(C)(C)C)c1O 1952137473 VJBIBXCHBBIOCL-TZMCWYRMSA-N 306.406 3.100 10 10 DGCE Cc1cc(C(=O)N2CCOC[C@@H]2C2CC2)c(C)n1-c1ccccc1 89978603 ZGXCAPSCGUXQSS-LJQANCHMSA-N 324.424 3.345 10 10 DGCE Cc1cc(C(=O)N2CCO[C@@H](C)C2)c(C)n1-c1ccccc1F 42659685 MFFRXOPUQJVFBH-ZDUSSCGKSA-N 316.376 3.094 10 10 DGCE Cc1cc(O)c(CN(C)Cc2nc(-c3cccnc3)no2)cc1C 93365399 XDFDZQDLGJZSFD-UHFFFAOYSA-N 324.384 3.086 10 10 DGCE Oc1c(F)cc(Cl)cc1CNC[C@H]1CCN1C1CCCC1 529667946 BYRFPQVBPORMNI-CQSZACIVSA-N 312.816 3.291 10 10 DGCE CC[S@](=O)[C@@H]1CCC[C@@H](N[C@@H](C)c2ccc(F)cc2O)C1 248493045 JRDJJEMLORZWLR-KNLKSIEXSA-N 313.438 3.262 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCC(C)(C)O1 278418943 IEJNVVSOSIBOHX-MRXNPFEDSA-N 304.434 3.059 10 10 DGCE CCOCc1nc([C@@H](C)N[C@H](CC)c2ccc(C)cc2O)no1 290183163 NSGXJGGFGNQJBD-TZMCWYRMSA-N 319.405 3.422 10 10 DGCE Cn1nc2c(c1CNCc1cc(Cl)c(F)cc1O)CCCC2 816616412 VZJLEUNICQUEQL-UHFFFAOYSA-N 323.799 3.087 10 10 DGCE Cc1cc(CNCc2cccc(Br)c2O)cc(C)n1 817409722 FGIGOBGNPIFFFE-UHFFFAOYSA-N 321.218 3.456 10 10 DGCE Cc1ncccc1/C=C/C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 829818666 ZLZMEHODBFCQHS-RZXPCSSPSA-N 309.413 3.347 10 10 DGCE Cc1ccccc1[C@@H](CO)NC/C=C\c1ccc(N(C)C)cc1 835042089 GPWCQXMRAYUWFH-LQOHYYORSA-N 310.441 3.397 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1C[C@H]1c1ccccc1 588405008 FCDWNAWUFZOIRS-RDIIQDETSA-N 309.365 3.031 10 10 DGCE CC[C@H](NC(=O)NCc1c(O)cccc1F)c1nc(C)cs1 917023480 FPQXKTYSBDKVAQ-LBPRGKRZSA-N 323.393 3.247 10 10 DGCE CCc1cccc(CNC2(C(=O)Nc3ccccc3)CC2)c1O 848903799 DQXMSVQZOUSUBC-UHFFFAOYSA-N 310.397 3.216 10 10 DGCE COc1ccc(O)c(CN2CCC3(CC2)C(F)(F)C3(F)F)c1 846015540 OGXOLZJOKKQDPK-UHFFFAOYSA-N 319.298 3.267 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCS[C@@H](C)C1 919080726 FVPJLMBFADMULF-DZGCQCFKSA-N 321.490 3.144 10 10 DGCE Cc1ccc([C@H]2[C@H](C(=O)O)CCN2C(=O)OC(C)(C)C)c(O)c1 1952821159 NEGVLKLDOCGBDN-OCCSQVGLSA-N 321.373 3.083 10 10 DGCE COc1ccc(N2CCN(C[C@@H]3C[C@H]4[C@@H](C3)C4(F)F)CC2)cc1 929152867 HGGUPNBNIBKTRA-AYGBPOKTSA-N 322.399 3.109 10 10 DGCE CC[C@H](N[C@@H](C)CN(C)CCCN(C)C)c1ccc(C)cc1O 850502174 SIBPRNDZDBNTRD-WMZOPIPTSA-N 321.509 3.013 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)NCC[C@@H]2C[C@H]2C2CC2)cc1 927408298 GAAHCRCXCMLZSQ-OCCSQVGLSA-N 300.362 3.015 10 10 DGCE COc1cc(N(C)C[C@H](OC)C2CCCC2)cc(OC)c1OC 851783281 LYAMXAVNZBABES-KRWDZBQOSA-N 323.433 3.354 10 10 DGCE CN(C)c1cc(F)c(CN[C@H](C2CC2)[C@H]2CCCCO2)cc1F 858186093 QJBITCUVFHWASS-QZTJIDSGSA-N 324.415 3.468 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)CCC(C)(C)C)C2)cc1 855231359 LDRZPQFDTHWDCM-CQSZACIVSA-N 304.434 3.216 10 10 DGCE Cc1cc(Cl)cc([C@H](C)N[C@H]2CCN(C3CCC3)C2=O)c1O 858602558 BVOKXQAFTZPJOO-NHYWBVRUSA-N 322.836 3.158 10 10 DGCE COc1cc(N(C)C[C@@]2(C)CCCS2)cc(OC)c1OC 862306286 IIFVALNBRUPXOO-MRXNPFEDSA-N 311.447 3.434 10 10 DGCE COC(=O)/C=C\c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 931268861 GLGTVTIMPRXPMS-WFMXKNRHSA-N 318.373 3.263 10 10 DGCE CC(C)O[C@H](C(=O)N1Cc2cccc(O)c2C1)c1ccccc1 871205757 XSTGCGPRALKQOW-SFHVURJKSA-N 311.381 3.401 10 10 DGCE O=C1N=C(N2CCCCC2)S/C1=C/c1ccc(O)c(F)c1F 887277069 KIBDTYNFQSSFRB-DHZHZOJOSA-N 324.352 3.127 10 10 DGCE Cc1cc(Br)c(O)c(CN[C@@H]2CCO[C@H](C)C2)c1 781636941 UWNBZISDQLFEJY-ZYHUDNBSSA-N 314.223 3.120 10 10 DGCE CCOc1cccc(CN2CCC(CC)(N3CCC3)CC2)c1O 895828790 YQELOGLINXUPCD-UHFFFAOYSA-N 318.461 3.241 10 10 DGCE CCN(CC)c1ccc(CN[C@H]2CCCC3(C2)OCCO3)cc1 715679007 IPKODVUBHCQZGH-KRWDZBQOSA-N 318.461 3.308 10 10 DGCE COc1ccc(C[C@H](C)NCc2ccc(OC)cc2O)cc1 793385565 BXSJDLQJANNEGA-ZDUSSCGKSA-N 301.386 3.130 10 10 DGCE COc1ccc(CNC(=O)C/C=C\c2cccc(F)c2)c(O)c1 794387580 LLLMNNZOCAXACG-HYXAFXHYSA-N 315.344 3.260 10 10 DGCE O=C(NCc1c(O)cccc1F)NC(C1CCC1)C1CCC1 1248571432 SQOPTNXKJZBPHU-UHFFFAOYSA-N 306.381 3.299 10 10 DGCE CN(C)c1ccc([C@@](C)(N)c2ccncc2Br)cc1 2120107342 QBTWEUIXNWWEEA-OAHLLOKOSA-N 320.234 3.132 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN(C(=O)c2cnccc2Br)C1 2121183399 JDKORDCINCESLE-SECBINFHSA-N 324.182 3.007 10 10 DGCE Cc1nccn1[C@@H](C)CNCc1cccc(Br)c1O 2129520887 CEQDUNIMCAUWNS-JTQLQIEISA-N 324.222 3.010 10 10 DGCE Cc1cc(C(=O)N2CC[C@H](N=[N+]=[N-])C2)ccc1Br 1912169421 KKNAARGJEJDXIP-JTQLQIEISA-N 309.167 3.282 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN(C(=O)CC(F)(F)C(F)(F)F)C1 1912200687 KKVCRLGSTJPVCP-ZETCQYMHSA-N 300.231 3.123 10 10 DGCE Cc1cc(C(=O)NCCCCN=[N+]=[N-])oc1Br 1912208237 QVWLJKGLIUQEJI-UHFFFAOYSA-N 301.144 3.171 10 10 DGCE O=C(C[C@H]1OCc2cc(Cl)ccc21)NCc1ccccc1O 1445967595 CQSJGDLSPVCEED-MRXNPFEDSA-N 317.772 3.323 10 10 DGCE C[C@H](NC(=O)c1c[nH]nc1-c1ccccc1)c1ccccc1O 1471195484 YIEVWEYLCOYHEO-LBPRGKRZSA-N 307.353 3.273 10 10 DGCE O=C(Nc1cc(Cl)cc(Cl)c1O)c1ccc(O)c(O)c1 227052297 MNJIVUWKHYCSAL-UHFFFAOYSA-N 314.124 3.363 10 10 DGCE C[C@@H](Cc1cccc(Cl)c1)C(=O)NCc1c(O)cccc1O 1558533270 AYMNDGCDICLZHB-NSHDSACASA-N 319.788 3.246 10 10 DGCE O=C(NCc1cccc(Cl)c1O)c1ccc2c(c1)CCOC2 1637232731 XANCGUCTQBFJHY-UHFFFAOYSA-N 317.772 3.048 10 10 DGCE CCCN(Cc1ccccc1O)C[C@@H]1CCC[C@@]2(CCOC2)O1 1641902226 KJIDDQHRPPSZIJ-HKUYNNGSSA-N 319.445 3.332 10 10 DGCE O=C(NCc1cccc2[nH]ccc12)N1Cc2cccc(O)c2C1 1684796057 GCFQTQKQTHHGRX-UHFFFAOYSA-N 307.353 3.099 10 10 DGCE CCCC1(C(=O)NC[C@@H](C)NCc2ccc(OC)c(C)c2)CC1 1690618912 KALMCCVHIKJYOZ-OAHLLOKOSA-N 318.461 3.178 10 10 DGCE CCN(CC)CCCN=NNc1ccc(N2CCOCC2)cc1 1860493742 ATDBZJNJLQGHAO-UHFFFAOYSA-N 319.453 3.034 10 10 DGCE CCCCOc1ccc(/C=C2/C(=O)N(C)N=C2C)cc1OCC 1865665408 RJPJNASKJZLQFX-RVDMUPIBSA-N 316.401 3.496 10 10 DGCE CCN1N=C(c2ccc(OC)cc2)/C(=C\c2ccccc2O)C1=O 1865678971 NSDUHKKLZHJCQV-FOWTUZBSSA-N 322.364 3.051 10 10 DGCE C[C@@H]1CSCCCN1c1ccc(CN)c(C(F)(F)F)c1 2143596668 CAQIPCSDMMMNML-SNVBAGLBSA-N 304.381 3.496 10 10 DGCE Oc1ccc(Br)cc1CN1CC[C@@H](CCF)C1 1969934737 YCNOKQCDJYZKLF-SNVBAGLBSA-N 302.187 3.336 10 10 DGCE CC[C@H](CCNCc1cc(Cl)cc(OC)c1O)COC 2152348214 PBQUTSSOBNPICC-LLVKDONJSA-N 301.814 3.207 10 10 DGCE CC(C)(F)C1CN(c2ccc(CN)c(Br)c2)C1 2009109085 CKVIPMURONATSD-UHFFFAOYSA-N 301.203 3.092 10 10 DGCE CCOC(=O)[C@H](NCCN=[N+]=[N-])c1cccc(Cl)c1Cl 90257586 ABMMBMMPCRXWTE-LLVKDONJSA-N 317.176 3.498 10 10 DGCE C[C@H](N)c1ccc(N2CC(O)(c3ccsc3)C2)cc1Cl 2193362642 LHDAXALGZWHUPX-JTQLQIEISA-N 308.834 3.129 10 10 DGCE C[C@H](O)c1ccc(N2C[C@@H](F)C[C@H](F)C2)c(Br)c1 2062397292 SYBHGMCEHGPDDA-LSJOCFKGSA-N 320.177 3.389 10 10 DGCE O=S(=O)(Nc1cc(Cl)c(O)c(Cl)c1)[C@@H]1CC12CCC2 2097025675 WKGGIAMNWVUWMA-SNVBAGLBSA-N 322.213 3.383 10 10 DGCE Cc1ccc(Br)c([C@@H](N)c2ccc(N(C)C)cc2)n1 2112730697 OXNRSMYVWBWCGI-AWEZNQCLSA-N 320.234 3.267 10 10 DGCE CSc1ncc(CN2C[C@H](C3CC3)NC[C@@H]2C(C)C)s1 2284678432 WGCVRECZNWGSOF-ZIAGYGMSSA-N 311.520 3.073 10 10 DGCE COC(=O)C1=C(C)N(C(C)C)C(=O)C1=Cc1cccc(Cl)c1 2297460860 NIZGBTXKUCFKPG-UHFFFAOYSA-N 319.788 3.421 10 10 DGCE Cc1ncc(C=CC(=O)N2CCOc3cc(F)ccc32)s1 2297604027 BMXMYPHAEJBVBB-UHFFFAOYSA-N 304.346 3.029 10 10 DGCE O=C1NC(=S)SC1=Cc1ccc(-c2ccncc2)cc1F 2303181667 VTTCWHLMXIMRPV-UHFFFAOYSA-N 316.382 3.377 10 10 DGCE CCC1=NN(CC(C)C)C(=O)C1=Cc1cc(OC)ccc1OC 2332114791 QSAHUFDFFSFFMI-UHFFFAOYSA-N 316.401 3.351 10 10 DGCE CN(Cc1ccccc1O)C(=O)NC[C@@H]1C[C@H]1Cc1ccccc1 1346955086 WNKXMUSOPBQNDJ-MSOLQXFVSA-N 324.424 3.412 10 10 DGCE CN(C)[C@H]1C[C@@H]2C[C@H]1CN2Cc1cc(Cl)cc(Cl)c1O 2366822460 HHIYMTHLKXOVAG-WFBYXXMGSA-N 315.244 3.223 10 10 DGCE CCOc1cc(F)ccc1NCc1cc([N+](=O)[O-])ccc1O 89792775 ATYFQVXHXAHWRA-UHFFFAOYSA-N 306.293 3.450 10 10 DGCE CC1(C)CCCN1c1cc(Br)c(CN)cc1F 383770190 NDIQZHFNAGDPDL-UHFFFAOYSA-N 301.203 3.426 10 10 DGCE CSc1ccccc1N(C)C(=O)/C=C\c1cnn(C)c1C 255298085 IGXVXYWGETYYFC-KTKRTIGZSA-N 301.415 3.127 10 10 DGCE CCC[C@H](c1c([N+](=O)[O-])ccc(Cl)c1O)N1CCOCC1 575303625 JLDWHNNFRYICEZ-LLVKDONJSA-N 314.769 3.127 10 10 DGCE Cc1ncc2c(n1)CC[C@H](NC/C=C\c1ccc(N(C)C)cc1)C2 835037691 VSETZZLUFCWWEF-XDXAGZTOSA-N 322.456 3.011 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CCCC[C@H]2C2(O)CC2)c1O 839140323 PCRMVBLHHSPHOO-HNNXBMFYSA-N 323.820 3.128 10 10 DGCE C[C@@H](NC[C@@H]1CCC[C@H]1O)c1cccc(C(F)(F)F)c1O 834907199 YLSPFBCGMAAMOA-GBIKHYSHSA-N 303.324 3.223 10 10 DGCE CCOc1ccc(O)c(CN[C@H](C2CC2)[C@@H]2CCCCO2)c1 848560852 RMRSKXWFGCPHAX-ZWKOTPCHSA-N 305.418 3.228 10 10 DGCE COC(=O)/C=C/c1ccc(N(C)CCC2CC2)c([N+](=O)[O-])c1 746715589 CSWCTBSFTUXQLF-SOFGYWHQSA-N 304.346 3.017 10 10 DGCE CC(=O)c1cc(F)cc(CN2CCOc3ccccc32)c1O 748050952 IWIMEPHEIFLHID-UHFFFAOYSA-N 301.317 3.133 10 10 DGCE FC1(F)C[C@@]12CCCN(Cc1ccc(N3CCOCC3)cc1)C2 846107859 LIYZWFBYTWNLTK-QGZVFWFLSA-N 322.399 3.144 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)CCOCC2CC2)cc1 751223587 AFZTVCDRJFMTGH-UHFFFAOYSA-N 318.461 3.308 10 10 DGCE COc1ccc(N(C)C[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1OC 929349135 ZYJOHDXZGYZNDH-FZMZJTMJSA-N 319.323 3.250 10 10 DGCE Cn1cc(CNCc2ccc3c(c2)CCO3)c(C2CCCC2)n1 921652002 VQAIQNBLUIBTOL-UHFFFAOYSA-N 311.429 3.302 10 10 DGCE COc1ccc(O)c(CNC(=O)Cc2c(C)cccc2Cl)c1 754226643 HILMSDZWPHNQEB-UHFFFAOYSA-N 319.788 3.222 10 10 DGCE CC(=O)c1cc(F)cc(CN(C)C2Cc3ccccc3C2)c1O 750818680 ACHWEMKFEFJQOI-UHFFFAOYSA-N 313.372 3.333 10 10 DGCE COc1ccc(N(C[C@@H](OC)[C@H]2CCOC2)C(C)C)cc1F 851835669 DGEDLVHHFGOVGI-SUMWQHHRSA-N 311.397 3.101 10 10 DGCE OC[C@]12CCC[C@H]1CN(Cc1ccc(N3CCCCC3)cc1)C2 862529722 YDSIGHLZIDHBFY-AZUAARDMSA-N 314.473 3.271 10 10 DGCE Cc1cc(Cl)cc([C@H](C)N[C@@H]2[C@@H]3C[C@H]4[C@H](CO[C@H]42)C3)c1O 866446049 OEFISODGUZYHMV-ZETRGDBVSA-N 307.821 3.428 10 10 DGCE Cc1cc(CN2CC[C@H](C(=O)O)[C@H]3CCC[C@H]32)ccc1N(C)C 863476269 YRVHOKRWNBLYMD-SOLBZPMBSA-N 316.445 3.136 10 10 DGCE CCN1C(=O)/C(=C\c2ccc(C(F)F)nc2)SC1=S 864363235 NUEXPGBMVWBAEP-WEVVVXLNSA-N 300.355 3.240 10 10 DGCE COc1ccc(O)c(CN[C@@]2(CO)C[C@H](C)CC(C)(C)C2)c1 777484116 JPSKMQIHEJJXAQ-ACJLOTCBSA-N 307.434 3.068 10 10 DGCE CCOc1ccc(O)c(CN(CCOC)[C@@H]2C[C@H]3CC[C@H]2C3)c1 775206480 PNVRMAGCFQDFSR-RLFYNMQTSA-N 319.445 3.428 10 10 DGCE CN(C)c1ccc(CN(CC(F)(F)F)C(=O)C2=CCC2)cc1 770524210 GHZBYTMZUCQTHP-UHFFFAOYSA-N 312.335 3.364 10 10 DGCE Oc1ccc(Cl)c(F)c1CN1CC(CC2CCOCC2)C1 895615938 RKKZSMSWQFDMPW-UHFFFAOYSA-N 313.800 3.433 10 10 DGCE Oc1ccsc1-c1nc(CCOCc2ccccc2)no1 395562586 JONWDYWXHQPXEO-UHFFFAOYSA-N 302.355 3.263 10 10 DGCE CN(Cc1ccc(Br)cc1O)C[C@@]1(C)CCOC1 687523341 XKHJPWRNRFEWCZ-CQSZACIVSA-N 314.223 3.013 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1cc(C)cc(C)c1 1140198521 HFQVJVALJVFRGV-UHFFFAOYSA-N 318.413 3.354 10 10 DGCE Cc1cccc2c1CC(C)(C)N(C(=O)c1cccc(O)c1O)C2 1159039251 VGVDTMAEXFXDFE-UHFFFAOYSA-N 311.381 3.383 10 10 DGCE CCc1nc(C)ncc1C(=O)NCc1c(O)ccc2ccccc12 1304089758 KLORSTFCGDLRAU-UHFFFAOYSA-N 321.380 3.136 10 10 DGCE CC(C)(C)NCc1cnc(S[C@H]2CCC[C@@H](O)C2)s1 2133407970 JGZBRHXMSAKQOT-MNOVXSKESA-N 300.493 3.427 10 10 DGCE CCNCc1ccc(N(Cc2ccccc2)[C@@H](C)CO)c(C)c1 1914372196 DRHBHCZJDIOMGM-KRWDZBQOSA-N 312.457 3.492 10 10 DGCE Cc1ncccc1/C=C\C(=O)N1CCOc2c(Cl)cccc21 1532565943 VRYWDEOBSVYYTF-FPLPWBNLSA-N 314.772 3.482 10 10 DGCE Cc1ccc(Cl)cc1OCC(=O)N(C)Cc1ccccc1O 1465844223 JFBVCMNQVDSXBL-UHFFFAOYSA-N 319.788 3.391 10 10 DGCE CCCN(C(=O)/C=C\c1cnc(OC)nc1)c1ccccc1F 1532603959 NVQIUDOFAFNDCZ-HJWRWDBZSA-N 315.348 3.081 10 10 DGCE Cn1cc(/C=C\C(=O)N2CC(C)(C)c3cc(Cl)ccc32)cn1 1543950439 FAAOOHCRYWGXRN-DAXSKMNVSA-N 315.804 3.411 10 10 DGCE Cc1cc(C)c(CN2CCOc3cc(N(C)C)ccc32)c(C)n1 1559714042 IJIOMWNGGJNYLC-UHFFFAOYSA-N 311.429 3.472 10 10 DGCE CC(C)N1CCCC[C@H]1CN1CCOc2cc(N(C)C)ccc21 1645147948 NWRFRBGBSXOIGY-KRWDZBQOSA-N 317.477 3.214 10 10 DGCE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN(c2ccc(N)cc2)C1 1959573970 ZYFXDDZHIIVLKQ-JSGCOSHPSA-N 305.422 3.008 10 10 DGCE CCNCc1ccc(N2CCN(C(C)(C)C)CC2)c(Cl)c1 163980719 GZIZGFFYACPVCP-UHFFFAOYSA-N 309.885 3.370 10 10 DGCE Fc1ccc(/N=N/N2CCN(c3ccccn3)CC2)cc1F 1860488474 SZMWPFJVWDLXSL-FMQUCBEESA-N 303.316 3.181 10 10 DGCE CC(C)n1nccc1CNCc1cc(Br)ccc1O 809712165 DLYZBLBGZWEFAS-UHFFFAOYSA-N 324.222 3.222 10 10 DGCE Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@H]1c2ccccc2C[C@H]1O 1116584286 CZLVPKIUZYCLGH-BWYUNELBSA-N 309.409 3.497 10 10 DGCE Oc1c(F)cc(Br)cc1CN[C@@H]1C[C@@H]2C[C@@H]2C1 1947781957 DACOHVUUMBYJSA-VROVMSAKSA-N 300.171 3.182 10 10 DGCE CN1C(=O)[C@H](O)c2ccc(N(Cc3ccccc3)C3CCC3)cc21 1946853760 FSOMAMVILNFNJK-LJQANCHMSA-N 322.408 3.256 10 10 DGCE Nc1ccc(Oc2ccc(Br)c(F)c2F)nc1 1947230832 OURFFOHLQYBILV-UHFFFAOYSA-N 301.090 3.497 10 10 DGCE C[C@@H]1CN(CCCCN=[N+]=[N-])CCN(C(=O)OC(C)(C)C)C1 1962302871 CZGWVXKHRZYPLL-CYBMUJFWSA-N 311.430 3.266 10 10 DGCE Oc1cc(F)ccc1CN[C@H]1CCCN(Cc2ccccc2)C1 1964593292 DSIDCHNETGCNIZ-SFHVURJKSA-N 314.404 3.286 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNCC1(n2cccn2)CC1 2144654532 OAMRTERYAFUIPA-UHFFFAOYSA-N 312.200 3.174 10 10 DGCE CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)c1ccc(N(C)C)cc1 1977945242 MRKXCPOGGAHVNN-CVEARBPZSA-N 321.465 3.446 10 10 DGCE CCNCc1ccc(N2CCSCC2)cc1C(F)(F)F 167346058 ISKVEZTZSIHPLL-UHFFFAOYSA-N 304.381 3.368 10 10 DGCE CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1CN(c1ccc(N)cc1)C2 1992128598 YECSSTXFYQCMBY-FZKQIMNGSA-N 317.433 3.152 10 10 DGCE CN(Cc1ccns1)c1ccc(CN)cc1Br 404460654 IFLLOFVVPXRUBF-UHFFFAOYSA-N 312.236 3.001 10 10 DGCE COc1cccc(O)c1[C@H](C)NC1CCN(C2CCCC2)CC1 2065115862 XAZRNAAVOWFLMC-AWEZNQCLSA-N 318.461 3.458 10 10 DGCE Cc1cc(O)c([C@H](C)n2nc(C)c(N)c2Br)cc1C 2079943528 DAXPFCFSZQOFGT-JTQLQIEISA-N 324.222 3.468 10 10 DGCE COc1ccc(O)c([C@H](C)NCC2(Br)CCC2)c1 2049203810 FLCHYHGIKVSBBW-JTQLQIEISA-N 314.223 3.369 10 10 DGCE CC[C@@H](CN(C)c1ccc([C@@H](C)N)cc1Br)OC 2068255423 UZBVQPGLISVRGL-PWSUYJOCSA-N 315.255 3.330 10 10 DGCE CN[C@@H](c1ccc(N(C)C)cc1)c1cocc1Br 2258126094 BZFRNXROINIRCU-AWEZNQCLSA-N 309.207 3.417 10 10 DGCE Cc1cc(O)c([C@@H](C)N2CCOC[C@H]2C(F)F)cc1Cl 2286438408 FXORIVSOJFCKTQ-SKDRFNHKSA-N 305.752 3.381 10 10 DGCE CN(C[C@H]1CCC1(F)F)c1ccc(CN)cc1Br 2313761424 DDPIVCILYRNALD-SNVBAGLBSA-N 319.193 3.389 10 10 DGCE CC(C)n1ncc(Br)c1CN1CC[C@@H](N=[N+]=[N-])C1 2319525658 IZDGHUBWWWHYOP-SECBINFHSA-N 313.203 3.111 10 10 DGCE CCCOC(=O)c1ccc(N=NN2C[C@H](C)O[C@@H](C)C2)cc1 2330159033 UYRXZRQQZSHBMC-STQMWFEESA-N 305.378 3.361 10 10 DGCE CC1=NN(c2ccccn2)C(=O)C1=Cc1cc(Cl)ccc1O 2332107450 FTDUMNAZCSZQIR-UHFFFAOYSA-N 313.744 3.247 10 10 DGCE CC[C@@H](C)N(CC)c1c(F)cc(CNCCOC)cc1F 62735442 GWBQHRPHFPFOPB-GFCCVEGCSA-N 300.393 3.326 10 10 DGCE Cc1nccn1C[C@H](C)CN[C@@H](C)c1ccc(F)c(F)c1O 187699136 RPXAGOIPZZOYJF-MNOVXSKESA-N 309.360 3.162 10 10 DGCE COc1ccc(O)c([C@H](C)Nc2cccc3c2OCCO3)c1 186284104 BEIJWEYHVHIQDE-NSHDSACASA-N 301.342 3.345 10 10 DGCE CCc1cccc2c(CC(=O)NCc3ccc(O)c(O)c3)c[nH]c12 182545569 PZMHYUUWASLMSD-UHFFFAOYSA-N 324.380 3.000 10 10 DGCE COC[C@@H](N[C@@H](C)c1cc(OC)ccc1O)c1ccccc1 186034616 OKPUNASCMZQKHG-SUMWQHHRSA-N 301.386 3.439 10 10 DGCE C[C@@H](c1ccccc1O)N1CCc2sccc2[C@@H]1C(=O)O 86808554 OYWWYKBZLLVPRX-ZUZCIYMTSA-N 303.383 3.199 10 10 DGCE COC(=O)[C@H](NCCN=[N+]=[N-])c1ccc(Cl)c(Cl)c1 90256963 PRMNTNAUAAQNJI-SNVBAGLBSA-N 303.149 3.107 10 10 DGCE N[C@@H](CC(F)(F)F)c1c(F)ccc(Br)c1O 95706739 QFIPUZLXMHWRAL-LURJTMIESA-N 302.065 3.246 10 10 DGCE COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cc(C)ccc1O 246195835 LOQUJGJCUYAUNT-IMJJTQAJSA-N 303.402 3.007 10 10 DGCE COc1cc(Br)cc(CN2C[C@H](C)[C@H]2C)c1O 816648603 MQFAVBZKJROALB-DTWKUNHWSA-N 300.196 3.004 10 10 DGCE Cc1ccc(N2C(=O)/C(=C\c3ncc[nH]3)SC2=S)cc1 731155485 IBTPACCGSVNVKN-DHZHZOJOSA-N 301.396 3.124 10 10 DGCE CCN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@@H](C)c1cccnc1 588407942 BCMHVRHUOKYCLN-JWJUJFCLSA-N 312.369 3.116 10 10 DGCE CC[C@H](NC/C=C\c1ccc(N(C)C)cc1)[C@H](O)C(F)(F)F 835042042 QJTPLVSVVJDIEX-LUNKNMTDSA-N 316.367 3.057 10 10 DGCE CN(C)c1ccc(/C=C\CNCc2cnc3n2CCCC3)cc1 835050560 UROSKQUPMPKQDJ-WAYWQWQTSA-N 310.445 3.088 10 10 DGCE C[C@@H]1C[C@@H](N(C)C/C=C/c2ccc(N(C)C)cc2)CCN1C 835026369 RYKOAQRJASQUJP-NHBNWDHASA-N 301.478 3.180 10 10 DGCE COC(=O)/C(C)=C\CSc1ncc(-c2ccccc2)n1C 742206123 AOWSQFWFWIRBLI-XFXZXTDPSA-N 302.399 3.299 10 10 DGCE CCOc1ccc(O)c(CN[C@H](c2ccccc2F)[C@H](C)O)c1 846015745 DFQKJSRLKAUZKL-SGTLLEGYSA-N 319.376 3.142 10 10 DGCE Cc1ccccc1-n1c(C)cc(C(=O)N[C@H](C)C(C)(C)O)c1C 746333474 JZWMEAZQFMYEIG-OAHLLOKOSA-N 314.429 3.292 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](Nc2c(N)cccc2F)[C@@H]2C[C@@H]21 1895593390 IMZTWMUQENZPNP-BPNCWPANSA-N 321.396 3.218 10 10 DGCE C[C@@H](CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccccn1 850482604 QCFDOMTVMPZLFH-RYUDHWBXSA-N 301.346 3.150 10 10 DGCE COC[C@H](N[C@H]1C[C@@H](C)c2c(F)ccc(O)c21)C1CCOCC1 850493430 HLZZILOLODHXAZ-UGFHNGPFSA-N 323.408 3.111 10 10 DGCE CCOc1cccc(CN[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)c1O 850408834 FZYNALMEIGWPEA-BPQIPLTHSA-N 313.372 3.358 10 10 DGCE Cc1cc(CC(=O)OCCC[C@H](C)O)c(C)n1-c1ccccc1 853935356 YXNIUGNQTJNGPO-HNNXBMFYSA-N 315.413 3.341 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)C[C@H](C)c1ccncc1 935945030 IBKMQQRZDFAXSE-ZDUSSCGKSA-N 319.401 3.083 10 10 DGCE CS[C@H]1C[C@H](NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 868515674 PKDAKMUCNNZKAF-UXIGCNINSA-N 307.463 3.007 10 10 DGCE O=C(CCC[C@@H](O)c1ccccc1)N1Cc2cccc(O)c2C1 871204131 DBTRCXOFINNBSJ-QGZVFWFLSA-N 311.381 3.138 10 10 DGCE COc1ccc([C@H](C)CC(=O)N2Cc3cccc(O)c3C2)cc1 871204276 WZWMZFWUVOUBRX-CYBMUJFWSA-N 311.381 3.437 10 10 DGCE COc1ccc(O)c([C@@H](C)NCc2csc([N+](=O)[O-])c2)c1 775370568 WHBIZFJNEQRGAZ-SECBINFHSA-N 308.359 3.221 10 10 DGCE O=[N+]([O-])c1ncccc1N1CC=C(c2ccc(Cl)nc2)CC1 773254617 LLDIWTSDCRZFME-UHFFFAOYSA-N 316.748 3.332 10 10 DGCE COc1cnccc1[C@@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1O 783331288 PJKFWSUUGNSRRU-GHMZBOCLSA-N 317.345 3.116 10 10 DGCE COCCC(C)(C)CNC(=O)c1cc2cc(O)c(O)cc2s1 897390383 ZELHNNSWHWYUCU-UHFFFAOYSA-N 323.414 3.105 10 10 DGCE CCO[C@H]1CCN([C@H](C)c2cc(Br)ccc2O)C1 701662180 SRHCTZLOJGFXGW-PWSUYJOCSA-N 314.223 3.327 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@H]3C[C@H]2CS3)cc1C(F)(F)F 705536973 FYBVTIJUZZRIIO-DVVUODLYSA-N 302.365 3.419 10 10 DGCE CC1(C)OCC[C@H]1CNCc1c(O)cccc1Br 706883613 QTMBLDNYEOAYDE-JTQLQIEISA-N 314.223 3.059 10 10 DGCE C[C@H](NC1CC(N2CCCCC2)C1)c1cc(F)cc(F)c1O 794833472 DZOSDGKQYPQXKG-XGNXJENSSA-N 310.388 3.338 10 10 DGCE C/C(=C/c1ccccc1Cl)C(=O)NCc1cc(O)ccc1O 1153884688 FQMXFZJKMKOVEZ-FLIBITNWSA-N 317.772 3.471 10 10 DGCE CCN(CC(C)(C)O)c1ccc(CNC)c(C(F)(F)F)c1 167385127 CYIMHCQXVGVLIW-UHFFFAOYSA-N 304.356 3.022 10 10 DGCE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1Nc1c(N)cccc1Cl 1885271036 JDEBKOTYWFBHLE-BXKDBHETSA-N 311.813 3.247 10 10 DGCE C[C@H]1C[C@H](N(C)Cc2ccc(N3CCCC3)cc2)CCN1C 1324745708 FAKPBHBRIYQZLQ-QFBILLFUSA-N 301.478 3.201 10 10 DGCE COc1ccc(C[C@H](C)N(C)Cc2cccc(OC)c2O)cc1 1320493881 FFYJMKOJTFKTCS-AWEZNQCLSA-N 315.413 3.472 10 10 DGCE CC[C@@H](Nc1ccccc1)C(=O)NCc1c(O)cccc1F 1184348701 RCPZAKVKJZWOKG-OAHLLOKOSA-N 302.349 3.038 10 10 DGCE CN(C)c1cc(F)c(CNCC2(CO)CC3(CCC3)C2)cc1F 1348099905 MXLJAXOOZHWIFU-UHFFFAOYSA-N 324.415 3.063 10 10 DGCE COC(=O)[C@](C)(NCCCN=[N+]=[N-])c1ccc(Cl)s1 1912165149 HCLXEXLVHYICRD-LLVKDONJSA-N 302.787 3.080 10 10 DGCE Cc1sc(Br)cc1C(=O)N1CC[C@@H](N=[N+]=[N-])C1 1912183634 RUOPMWQWGSNXCR-SSDOTTSWSA-N 315.196 3.344 10 10 DGCE C[C@@H]1N(C(=O)Cc2ccc(O)c(O)c2)c2ccccc2C1(C)C 1453430611 HQEDJXIZAZORDZ-LBPRGKRZSA-N 311.381 3.353 10 10 DGCE CN(CC1=CCSC1)c1ccc(CN)cc1Br 1916814322 RJZWDTNUNHZABT-UHFFFAOYSA-N 313.264 3.017 10 10 DGCE C[C@@H](NC(=O)C(C)(C)N1CCCCC1)c1ccc(N(C)C)cc1 1633315839 YAHMBQQMFHKLPD-OAHLLOKOSA-N 317.477 3.194 10 10 DGCE COc1c(C(=O)N[C@@H](C)c2ccccc2O)[nH]c2ccccc12 1632250008 HLPRPBTXCGFTSP-NSHDSACASA-N 310.353 3.373 10 10 DGCE C[C@H](NC(=O)C(=O)c1ccc(Cl)cc1)c1ccccc1O 1635798847 DURGJIMFIVNKLY-JTQLQIEISA-N 303.745 3.106 10 10 DGCE C[C@H](C(=O)NCc1cc(O)ccc1O)c1cn(C)c2ccccc12 1633599145 PXYCICHWQIDHTR-LBPRGKRZSA-N 324.380 3.009 10 10 DGCE C[C@@H](NC(=O)c1c[nH]nc1-c1ccco1)c1ccc(N(C)C)cc1 1638955970 DHPKOWWTDVFSBE-GFCCVEGCSA-N 324.384 3.227 10 10 DGCE COc1ccc(N2CCN(CC3CC(C)(C)C3)CC2)cc1F 1644919631 UPQNDQRPNSZSLU-UHFFFAOYSA-N 306.425 3.393 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H]1CC[C@@H](C)O1 1570152588 RBHUWRSJFXKJBO-ZIAGYGMSSA-N 318.442 3.453 10 10 DGCE CC(=O)CCC(C)(C)C(=O)NCc1ccc(N2CCCC2)cc1 1595436479 XTYOQPKFXAJBIW-UHFFFAOYSA-N 316.445 3.298 10 10 DGCE O=C(NCc1cc(O)ccc1O)[C@@H]1C[C@H]1c1ccc(Cl)s1 1593872740 BYNBDNWRJGNVFW-GHMZBOCLSA-N 323.801 3.233 10 10 DGCE CNCc1ccc(N(C)[C@H]2CCO[C@H]2C)cc1C(F)(F)F 160099773 WYBYTBSSEFVMOW-HZMBPMFUSA-N 302.340 3.038 10 10 DGCE CCCC1=NN(CC(C)C)C(=O)/C1=C/c1ccccc1C(=O)O 1865673896 DHLSCUKVAOYNNI-XNTDXEJSSA-N 314.385 3.423 10 10 DGCE CSC1CN(c2ccc([C@H](C)O)c(Br)c2)C1 1939039012 UCIOZVFUZFVRFP-QMMMGPOBSA-N 302.237 3.054 10 10 DGCE CN[C@@H](C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1O 1980360640 SLMBSGNSLBLNMY-YDHLFZDLSA-N 320.433 3.346 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1N[C@H]1CCc2cccc(O)c21 1986712944 OYIWFQGSNCXAPF-MCIONIFRSA-N 318.417 3.025 10 10 DGCE CCCNCc1ccc(N2CC(C)(F)C2)cc1Br 2032483737 LODSENWQSTYKDZ-UHFFFAOYSA-N 315.230 3.497 10 10 DGCE Oc1c(F)cc(Br)cc1CNCC1[C@H]2CCC[C@H]12 2032738504 DIVLNMCMGRRWEV-QWRGUYRKSA-N 314.198 3.430 10 10 DGCE C[C@@H]1CCO[C@H]1CN(C)Cc1cc(Br)ccc1O 2034984722 LTBPNLPUCNZMTC-YGRLFVJLSA-N 314.223 3.012 10 10 DGCE CN(c1cc(Cl)c(CN)cc1F)[C@H]1CCOCC1(C)C 2177383942 SMVOKUAGXDNRIQ-AWEZNQCLSA-N 300.805 3.189 10 10 DGCE C[C@H](NC[C@H]1CCC[C@@H]1O)c1cccc(C(F)(F)F)c1O 2063783118 YLSPFBCGMAAMOA-CWSCBRNRSA-N 303.324 3.223 10 10 DGCE [N-]=[N+]=NCC1(CNC(=O)c2cc(F)c(F)cc2Cl)CC1 2174354353 GNQAIHUVSKYIMH-UHFFFAOYSA-N 300.696 3.439 10 10 DGCE CC[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@@H]1N(C)C 2170467186 NGFYNEJTOAHLPO-HZMBPMFUSA-N 317.260 3.471 10 10 DGCE CNCc1ccc(N(C)CC2[C@H]3CC[C@H]23)cc1Br 2041989164 DNUFUYVIPSKPJN-STQMWFEESA-N 309.251 3.261 10 10 DGCE CCNCc1ccc(N(C)C[C@@H]2C[C@@H]2F)cc1Br 2068047307 CLGRJDQQNGLQBB-FZMZJTMJSA-N 315.230 3.353 10 10 DGCE C[C@@]1(O)CCC[C@@H](NCc2cc(Cl)cc(Cl)c2O)C1 2102074880 PSCGHYRHERJFCU-BXUZGUMPSA-N 304.217 3.482 10 10 DGCE COc1ccc(Br)c(CN[C@@H]2C[C@@H](C)[C@@H]2C)c1O 2220462827 RGUYZDIUSWEGRM-VDDIYKPWSA-N 314.223 3.297 10 10 DGCE Cc1ccc(SC[C@@H](O)COc2ccc(N)cc2)cc1C 51328350 YINAFTYDVDNZRI-HNNXBMFYSA-N 303.427 3.418 10 10 DGCE CO[C@]1(C)CCN(c2ccc([C@H](C)N)cc2Br)C1 310916365 RQJYCCFGZDGQMB-IINYFYTJSA-N 313.239 3.084 10 10 DGCE C[C@@H](NCC[C@H]1C(=O)Nc2ccccc21)c1ccc(F)cc1O 185878156 DDBQAOSNCSMHPW-IAQYHMDHSA-N 314.360 3.308 10 10 DGCE Nc1ccc(CC(=O)Nc2c(Cl)ccc3nsnc23)cc1 88118839 RSPMKWCFARPWIJ-UHFFFAOYSA-N 318.789 3.108 10 10 DGCE [N-]=[N+]=NCCCN[C@H](C(=O)O)c1cc(Cl)cc(Cl)c1 90259196 YGCWHBPTTVOYRN-JTQLQIEISA-N 303.149 3.409 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CC[C@H]2Oc1ccc(N)cc1 259760191 ZUSVTHGFLRYIPQ-XNRPHZJLSA-N 318.417 3.436 10 10 DGCE CO[C@H](C)c1nsc(NCc2ccc(N3CC=CC3)cc2)n1 800852557 CNRDFQZFPSLHNS-GFCCVEGCSA-N 316.430 3.234 10 10 DGCE CC(C)[C@@H]1C[C@H](NCc2cc(Cl)c(F)cc2O)CCO1 293667223 QBZIJEITDBRIDE-ABAIWWIYSA-N 301.789 3.478 10 10 DGCE O=C(/C=C/c1cnc2ccccc2n1)N1CCc2cc(F)ccc21 801076807 RSSHLRODXQLILY-SOFGYWHQSA-N 319.339 3.371 10 10 DGCE Cc1cc(Cl)cc(CNCC[C@@]2(O)C[C@H]3CC[C@H]2C3)c1O 814172001 ZSRUVPYFWPIQCB-RVSPLBMKSA-N 309.837 3.385 10 10 DGCE Cn1ncc(C2CCC2)c1CNCc1cc(Cl)c(F)cc1O 827401319 RKHGNJVMIJFUHL-UHFFFAOYSA-N 323.799 3.476 10 10 DGCE COc1cc(Cl)cc(CNCCc2cnccc2C)c1O 826926479 DFECMVZCPVLIDY-UHFFFAOYSA-N 306.793 3.090 10 10 DGCE COC(=O)/C=C/c1ccc(N(CC(C)C)C2CC2)c([N+](=O)[O-])c1 733188076 YEZLFRATZBDYCV-WEVVVXLNSA-N 318.373 3.406 10 10 DGCE Cc1cc(CCNC(=O)NC2CCC2)c(C)n1-c1ccccc1 730582785 CREXFCPNZFTBFC-UHFFFAOYSA-N 311.429 3.488 10 10 DGCE CN(C)c1ccc(/C=C/CN(CC(=O)O)C2CCCC2)cc1 902038344 CSTPNEXQGOMMHZ-AATRIKPKSA-N 302.418 3.095 10 10 DGCE O=C1OCC[C@H]1N1CCCc2cc(OCc3ccccc3)ccc21 734487800 YSSMRMDKMCURHK-LJQANCHMSA-N 323.392 3.334 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)C(=O)c1ccc(F)cc1 730110071 MFGCQYFCTAZUJZ-UHFFFAOYSA-N 315.344 3.153 10 10 DGCE O=C(NCc1ccc(O)cc1O)c1coc(C2CCCCC2)n1 910948105 UGFGDARCNHNAFA-UHFFFAOYSA-N 316.357 3.064 10 10 DGCE CN(C)C[C@H](Cc1ccccc1)N[C@@H]1CCc2cccc(O)c21 834527093 VEGFWCBHRTYRSW-ZWKOTPCHSA-N 310.441 3.142 10 10 DGCE Oc1c(F)cccc1CNCC[C@H]1CCc2ccccc2N1 844912001 QOWNDTYNQCLUTR-OAHLLOKOSA-N 300.377 3.438 10 10 DGCE Oc1cccc2c1[C@H](N[C@@H]1CCN(c3ccc(F)cc3)C1)CC2 840899140 ZHXCXVGOKGNZED-NVXWUHKLSA-N 312.388 3.387 10 10 DGCE CCc1cccc(CN2CCO[C@@H](c3cccc(O)c3)C2)c1O 848887551 YWQOQLPREDBNJW-GOSISDBHSA-N 313.397 3.234 10 10 DGCE COc1ccc2c(c1)N(C(=O)/C=C\c1cnc(C)s1)CCC2 856077437 VKLOUKSBIGBYPJ-FPLPWBNLSA-N 314.410 3.453 10 10 DGCE CCC(C)(CC)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855228186 XAPAHOTXYFMWGJ-CQSZACIVSA-N 304.434 3.216 10 10 DGCE COc1cc(CN[C@]23C[C@H]2COC3(C)C)c(O)c(C(C)(C)C)c1 858229633 FCCXFEWLBLJWLT-ORAYPTAESA-N 319.445 3.355 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1Cc2ccccc2O1 864633459 HBIKGIUEHXHPKX-SFHVURJKSA-N 324.424 3.105 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)N1CC2(CCCO2)C1 862821550 RXEZEORKVSBEJF-UHFFFAOYSA-N 316.426 3.161 10 10 DGCE Fc1cc(CNC2(C3CC3)CCC2)ccc1N1CCOCC1 886392062 RMQWZSLJBXPABT-UHFFFAOYSA-N 304.409 3.085 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)c1cccnc1C(F)F 895485228 NLONYQIBRKYMTR-UHFFFAOYSA-N 319.355 3.357 10 10 DGCE CN(C)c1ccc(CNC(=O)[C@@H]2CC[C@@H](C(F)(F)F)C2)cc1 794618504 IXTNSIJSWJEKMN-CHWSQXEVSA-N 314.351 3.347 10 10 DGCE COc1cc(Br)cc(CN[C@@H]2CC[C@@H]2C)c1O 796525188 BRZJMUSOTDHQEM-GZMMTYOYSA-N 300.196 3.051 10 10 DGCE Cc1cc(CNC(=O)N2C[C@H]3C[C@H]3C2)c(C)n1-c1ccccc1 1234336423 IXVJKGDQUOAQRC-CALCHBBNSA-N 309.413 3.255 10 10 DGCE COc1ccc(N(Cc2ccccc2)C2CNC2)cc1Cl 1902324096 NLQDZJHJPWIMRV-UHFFFAOYSA-N 302.805 3.327 10 10 DGCE CCC(C)(C)C(=O)NC[C@@H](C)NCc1ccc(OC)c(C)c1 1266968444 VPZLHEZVPMAENX-CQSZACIVSA-N 306.450 3.034 10 10 DGCE O=C(CCCc1ccccc1Cl)NCc1ccc(O)cc1O 1639444498 NMQHSFIKQFPMDC-UHFFFAOYSA-N 319.788 3.390 10 10 DGCE Cc1ncccc1/C=C\C(=O)N1CCN(C2CC2)c2ccccc21 1585771968 RFMIHDXZSPBZKT-FLIBITNWSA-N 319.408 3.419 10 10 DGCE COc1cccc(CNC(=O)C/C=C/c2cccc(F)c2)c1O 155610203 KRKRBFULWQPAKP-ZZXKWVIFSA-N 315.344 3.260 10 10 DGCE COC(=O)c1ccc(N=c2[nH]c3cc(C)cc(C)c3o2)c(O)c1 1859859584 YUNYURIEGQJSLH-UHFFFAOYSA-N 312.325 3.102 10 10 DGCE CC[C@H](C)C[C@](CO)(CSc1nccs1)NC1CC1 2142625570 YYQQIYDNGOWYFW-FZMZJTMJSA-N 300.493 3.155 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2CCCN=[N+]=[N-] 1962304068 KSUZXGINGFZMHC-OLZOCXBDSA-N 309.414 3.161 10 10 DGCE CC[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(N)cc1 1977895993 HVOZMZHJRSVWRJ-INIZCTEOSA-N 319.449 3.100 10 10 DGCE Cc1ccc(C)n1-c1cc(F)cc(CNC(=O)C(F)(F)F)c1 1982698252 CITJONFXKRAZRS-UHFFFAOYSA-N 314.282 3.412 10 10 DGCE CCC[C@@H](CNC(=O)OC(C)(C)C)NCc1ccc(C)cc1O 1994457683 GBYXTPFGQAQEJT-HNNXBMFYSA-N 322.449 3.484 10 10 DGCE C[C@@H](N)c1ccc(N(C)[C@@H]2CCCOC2)cc1Br 401496085 DJOFNVLJCJEPCT-ZYHUDNBSSA-N 313.239 3.084 10 10 DGCE CCN(C[C@@H](C)OC)c1ccc(CNC)cc1Br 382789434 MTEYUOWMEWFCHB-LLVKDONJSA-N 315.255 3.030 10 10 DGCE C[C@H](O)c1ccc(N(C)[C@@H](CCO)C(F)(F)F)cc1Cl 2178510856 NEDJQOKIVJQLLW-UFBFGSQYSA-N 311.731 3.143 10 10 DGCE CCOC1(C)CN(c2ccc([C@H](C)N)cc2Br)C1 399264234 ROQLDVCPUNVJET-JTQLQIEISA-N 313.239 3.084 10 10 DGCE Nc1ccc(N2CCN(Cc3cscc3Cl)CC2)cc1 2176865755 VVHACWGSDBXYHM-UHFFFAOYSA-N 307.850 3.306 10 10 DGCE CN[C@@H](c1ccc2c(c1)CCN2C)c1cc(Br)co1 2112419300 FFDSQCPKHOPNCS-HNNXBMFYSA-N 321.218 3.343 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)c1ccsc1Br 2213587751 KPLMNCPMXYZHCH-HTQZYQBOSA-N 315.196 3.472 10 10 DGCE CSc1ncc(CNCc2ccc3c(c2)C[C@H](C)O3)s1 2208563299 JIOJMOHDSDCIAX-JTQLQIEISA-N 306.456 3.478 10 10 DGCE Cc1oc(Br)cc1C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-] 2218735731 REUXNIMCNLSITF-BDAKNGLRSA-N 313.155 3.312 10 10 DGCE CSc1ncc(CNc2nccc(C(=O)O)c2Cl)s1 2269120279 BWBARMFUTVHBEN-UHFFFAOYSA-N 315.807 3.224 10 10 DGCE CN[C@@H](CSc1nccs1)c1cc(OC)cc(OC)c1 2285392129 VVDILWQTHOPWLB-ZDUSSCGKSA-N 310.444 3.213 10 10 DGCE CCC1=NN(CC)C(=O)C1=Cc1cc(Cl)c(O)c(OC)c1 2332139756 ORILTPCETBEUTA-UHFFFAOYSA-N 308.765 3.066 10 10 DGCE Oc1cc2c(cc1CNCc1ccc(C(F)F)cc1)OCO2 185172469 XOBMQFXKCQXSNP-UHFFFAOYSA-N 307.296 3.348 10 10 DGCE Cc1cc(/C=C/C(=O)NC2CCOCC2)c(C)n1-c1ccccc1 79021879 VUDTUWSGBYULCN-CMDGGOBGSA-N 324.424 3.403 10 10 DGCE C[C@@H]1CN[C@@H](C2CC2)CN1c1ccc(OC(F)(F)F)cc1 86178800 IYXSQZMYNAABIG-QMTHXVAHSA-N 300.324 3.162 10 10 DGCE Cc1cc(C(=O)Nc2ccc(=O)n(C)c2)c(C)n1-c1ccccc1 193409982 ZLWQHKWBAQBOGE-UHFFFAOYSA-N 321.380 3.045 10 10 DGCE Cc1cc2c(n1-c1ncccc1Br)CCC[C@@H]2N 88447466 UIQPXZYINRALTM-LBPRGKRZSA-N 306.207 3.279 10 10 DGCE Cc1ccccc1-n1c(C)cc(C(=O)N[C@@H]2C[C@H]3CC[C@H]2O3)c1C 247577120 LSDXNOZKZPDEQJ-SZVBFZGTSA-N 324.424 3.452 10 10 DGCE C[C@H](CN[C@H]1CCc2cccc(O)c21)N(C)C(=O)OC(C)(C)C 296389720 JTGDBHMPXGFQHI-OCCSQVGLSA-N 320.433 3.225 10 10 DGCE CCCOc1cncc(NCc2cc(OC)c(OC)cc2O)c1 529652799 QARBSXMDDAYDJT-UHFFFAOYSA-N 318.373 3.205 10 10 DGCE CC(=O)C(=O)COC(=O)/C(C)=C/c1c(Cl)cccc1Cl 808537375 NEPHHCYWBPYQRF-SOFGYWHQSA-N 315.152 3.098 10 10 DGCE C[C@@H]1CC2(CCNCC2)CN1C/C=C/c1ccc(N(C)C)cc1 818431713 RIHCJXNPGNPKAD-LAQIPUCWSA-N 313.489 3.230 10 10 DGCE CCN(CC)c1ccc(CN2CCC[C@H](C)[C@@H]2C(=O)O)cc1 818631645 MBZGLEMQJZAWCP-WMLDXEAASA-N 304.434 3.218 10 10 DGCE COc1cc(Br)cc(CN[C@H]2C[C@@H]3C[C@@H]3C2)c1O 818238836 OLOJUBPOEJMDNU-BZBKMWRSSA-N 312.207 3.051 10 10 DGCE COc1ccc(N2CC[C@H](CN[C@H]3CCCSC3)C2)cc1 818222878 XNNIDEAFRIRAEM-CABCVRRESA-N 306.475 3.007 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)CC1C[C@@H]2CC[C@H](C1)N2 903873433 RHETXDUGYZKDHW-AYHJJNSGSA-N 301.478 3.105 10 10 DGCE CN(C)c1ccc(/C=C/CNc2ccc(C3(O)COC3)cc2)cc1 835054736 XTGQLDRICYCDFT-ONEGZZNKSA-N 324.424 3.096 10 10 DGCE CN1CC[C@@H]2[C@H](CCCN2C/C=C/c2ccc(N(C)C)cc2)C1 835052957 IVBVXDIXBKQSPH-XLKJWTSGSA-N 313.489 3.182 10 10 DGCE CC[C@H](N[C@H]1C[C@@](C)(O)C1)c1ccc(C(F)(F)F)cc1O 841760644 WZCGZZNUYWKICJ-VHRBIJSZSA-N 303.324 3.365 10 10 DGCE Cc1ccnc(C2CCN(Cc3cc4c(cc3O)CCC4)CC2)n1 758261466 BVJVFYKPVVOHAL-UHFFFAOYSA-N 323.440 3.359 10 10 DGCE Nc1ccc(NC(=O)CN2CCC(Cc3ccccc3)CC2)cc1 62460519 IAPUMLBZCFKKJJ-UHFFFAOYSA-N 323.440 3.162 10 10 DGCE CC[C@@H](NCc1cnccn1)c1cc(Br)ccc1O 698169889 YIRHELUGLXGWGD-CYBMUJFWSA-N 322.206 3.186 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)OCCC(F)(F)F)c1 866841823 NTVMASLBXRVCBT-MRVPVSSYSA-N 307.268 3.140 10 10 DGCE COCCn1c(C)c(C)c2cc(-c3nc(N(C)C)no3)ccc21 769862396 YYAMUTMZKAGYNL-UHFFFAOYSA-N 314.389 3.021 10 10 DGCE C[C@H](NC(=O)NCC1Cc2ccccc2C1)c1ccccc1O 868271836 YAMNISNJGJCKTF-ZDUSSCGKSA-N 310.397 3.167 10 10 DGCE Cc1ccc(O)c(CNC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)c1 862759485 DUYSLOHFXVBEOE-UONOGXRCSA-N 317.335 3.399 10 10 DGCE C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NCc1ccccc1O 397995897 BWLLORXDBTVQFE-LPHOPBHVSA-N 310.441 3.392 10 10 DGCE Cc1ncc(NC(=O)N(C)Cc2ccccc2O)c(C2CC2)n1 799231910 NDAYOGDHELUZDJ-UHFFFAOYSA-N 312.373 3.032 10 10 DGCE C[C@@H](Sc1ccccn1)C(=O)NCc1cc(Cl)ccc1O 1146232392 KLTPPHJUSAZHIH-SNVBAGLBSA-N 322.817 3.238 10 10 DGCE COc1ccc(O)c(CNC(=O)[C@@H]2[C@@H](C)[C@@H]2c2ccccc2)c1 797745141 WNZNNQUBUPQJIU-JBBXEZCESA-N 311.381 3.067 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N(C2CC2)C2COC2)cc1 1141369855 QLOGPFKRTHVUMI-UHFFFAOYSA-N 310.397 3.098 10 10 DGCE O=C(NCc1cccc(Cl)c1O)c1cccc2c1CCC2 1305069538 JAMRTJNFYZCVHK-UHFFFAOYSA-N 301.773 3.464 10 10 DGCE CCn1cccc1C(=O)NCc1cc(Cl)cc(Cl)c1O 1160598883 AZATZOHEXBIHQY-UHFFFAOYSA-N 313.184 3.450 10 10 DGCE C[C@@H](Cc1ccccc1Cl)C(=O)NCc1c(O)cccc1O 1178912922 ZGOZZDXWKCELKT-NSHDSACASA-N 319.788 3.246 10 10 DGCE CC[C@@H](CC(F)F)C(=O)Nc1c(Cl)ccc2nonc12 1331138595 JGFDWGDTMBIHCS-LURJTMIESA-N 303.696 3.496 10 10 DGCE C[C@@H]1CO[C@H](C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1 1332723331 GAFBWZVIZLRKDW-YJBOKZPZSA-N 316.445 3.060 10 10 DGCE COc1ccc(CN[C@H](C)CNC(=O)CC2CCCC2)cc1C 1266918694 DLDPUJSDODRCCW-OAHLLOKOSA-N 318.461 3.178 10 10 DGCE [N-]=[N+]=NCCCNC(=O)C=Cc1ccc(Br)cc1 1912112441 QGFJNRYDLOYLBR-UHFFFAOYSA-N 309.167 3.279 10 10 DGCE C[C@@H](O)c1ccc(N2CC3(C2)CC3(F)F)c(Br)c1 1914918238 FNTYTQFKFMIMTL-MRVPVSSYSA-N 318.161 3.348 10 10 DGCE Nc1snnc1-c1nc(-c2cc(Cl)ccc2Cl)no1 1923212416 AMSJSFRXMXURSW-UHFFFAOYSA-N 314.157 3.144 10 10 DGCE CCCONC(=O)NCCc1cc(C)n(-c2ccccc2)c1C 1564982320 NDXHMUHEAUVZEL-UHFFFAOYSA-N 315.417 3.277 10 10 DGCE CCN1C(=O)/C(=C2\SC(C)=C(C)N2CC)SC1=S 2270476 MVYAHKHKRGDCQD-PKNBQFBNSA-N 300.474 3.356 10 10 DGCE COc1ccc(CN[C@H](C)CNC(=O)C(C)(C)C2CC2)cc1C 1662315095 UUDSLXNDTHXYMH-CQSZACIVSA-N 318.461 3.034 10 10 DGCE NC(=O)c1cccc2c1N[C@H](c1ccccc1O)[C@@H]1CC=C[C@H]21 14473836 WIBYZHIONRWMHH-JKDFXYPNSA-N 306.365 3.318 10 10 DGCE CCCNCc1ccc(N2CCn3ccnc3C2)c(Cl)c1 164060533 YOKNCDOMBQRQHU-UHFFFAOYSA-N 304.825 3.056 10 10 DGCE CNCc1ccc(N2CCOc3ccccc3C2)c(Cl)c1 164066374 DVUHHJAITFMYAE-UHFFFAOYSA-N 302.805 3.458 10 10 DGCE CCC1=NN(CC)C(=O)/C1=C/c1ccc(Cl)c([N+](=O)[O-])c1 1865676459 DEGFIOLDDZNWRB-JXMROGBWSA-N 307.737 3.260 10 10 DGCE Nc1ccc(N(C(=O)c2cc3ccccc3oc2=O)C2CC2)cc1 1857927012 OQHYSNHKCRDUCN-UHFFFAOYSA-N 320.348 3.184 10 10 DGCE CN(CC[C@H]1CCCCN1CCN=[N+]=[N-])C(=O)OC(C)(C)C 1962298776 IHWRYJURMKDSQU-CYBMUJFWSA-N 311.430 3.408 10 10 DGCE C[C@H](O)c1ccc(N2CCC[C@H]2CF)cc1Br 2004457074 YYQWBTGLFHKVOB-ONGXEEELSA-N 302.187 3.441 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CCCCN(Cc2ccc(N)cc2)C1 1977925926 MYCZDDFHACFMBF-INIZCTEOSA-N 319.449 3.148 10 10 DGCE CC(C)(C)OC(=O)N1CCN(CCCN=[N+]=[N-])[C@](C)(C2CC2)C1 1982249597 JKVQIEADRBHOSY-INIZCTEOSA-N 323.441 3.408 10 10 DGCE CNCc1ccc(N2CC3CC2(CF)C3)cc1Br 2030296568 DBHZIDSDRZOZQS-UHFFFAOYSA-N 313.214 3.107 10 10 DGCE C[C@H](N)c1ccc(N2CC[S@@](=O)C(C)(C)CC2)cc1Cl 321550957 ANNZSTIFJHURLH-PRWKNARSSA-N 314.882 3.097 10 10 DGCE Oc1cc(Br)ccc1CNC1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 691455827 RJGXVQWALQMTPS-WBRVRECLSA-N 308.219 3.289 10 10 DGCE CC(C)Cc1cnn(Cc2ccc(Br)cc2O)c1N 2070262291 PZNHMNLQCBIPAC-UHFFFAOYSA-N 324.222 3.180 10 10 DGCE CO[C@@H]1CCC[C@@H](NCc2ccc(Br)cc2O)C1 1172925013 BYTNIYNCGDBBGM-CHWSQXEVSA-N 314.223 3.202 10 10 DGCE CN[C@@H](C)c1ccc(N(CC(F)F)C2COC2)cc1Cl 2196634179 QTJRGEPJNFGJIS-VIFPVBQESA-N 304.768 3.091 10 10 DGCE C[C@@]1(C(F)F)CCN(c2ccc(CN)cc2Br)C1 2054238690 SRSDPMXFDQEQIR-CYBMUJFWSA-N 319.193 3.389 10 10 DGCE Nc1cc(F)c(Br)cc1NCc1ccccc1O 2071658355 MEYCJHRANNJTML-UHFFFAOYSA-N 311.154 3.488 10 10 DGCE Cc1cc(O)ccc1CNCc1ccc(Br)cc1O 2279003146 ZJYDOKSYFGPMKW-UHFFFAOYSA-N 322.202 3.459 10 10 DGCE CC(=C1SC(N2C[C@@H](C)O[C@H](C)C2)=NC1=O)c1ccccc1 2293618981 NWIBIQZUFDWWQW-VXGBXAGGSA-N 316.426 3.156 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NC(=O)c1cnc(C(F)(F)F)s1 2289294628 AKGYFGRNOYCVMM-NTSWFWBYSA-N 305.285 3.123 10 10 DGCE O=C1C(=Cc2cccnc2)SC(=S)N1Cc1ccccc1 2296677272 DXMWQZVXILYEDI-UHFFFAOYSA-N 312.419 3.483 10 10 DGCE CCS[C@H]1CCC[C@H](NC(=O)C=Cc2ccc(O)c(O)c2)C1 2307989938 NKLLVTWWYUKHRX-KBPBESRZSA-N 321.442 3.292 10 10 DGCE COCCC[C@@H](C)NCc1ccc(C)c(Br)c1O 2327628677 JVFQXIOORROSDX-LLVKDONJSA-N 316.239 3.368 10 10 DGCE Cc1ccc(CNC(=O)[C@]23CCC[C@@H]2C3)c(O)c1Br 2352638214 VNNQSIFJVZFWPL-ABAIWWIYSA-N 324.218 3.270 10 10 DGCE C[C@@H](c1cc(Br)ccc1O)N(C)C[C@@H]1CCCO1 132958517 WRIZDSLJHRHZDH-JQWIXIFHSA-N 314.223 3.327 10 10 DGCE CCNCc1ccc(N2CCN(Cc3ccccc3)CC2)c(C)c1 309791523 WAHMKILJRQCARZ-UHFFFAOYSA-N 323.484 3.427 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC1(C)CCC1 174999780 VZWYCWBNFCKJBV-UHFFFAOYSA-N 303.450 3.474 10 10 DGCE Cc1cccc(CN2CCC(c3nnc4ccccn34)CC2)c1O 179611653 QFODCVLWMAPTMD-UHFFFAOYSA-N 322.412 3.123 10 10 DGCE CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NCc1ccccc1O 123170481 SFECCBYYPWQUDX-GOSISDBHSA-N 322.449 3.421 10 10 DGCE Oc1cccc(-c2nc(CSc3ccccc3)no2)c1O 126869993 MIQXWJDMOIHBAU-UHFFFAOYSA-N 300.339 3.440 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1C[C@@H]1c1ccccc1 180771467 FCDWNAWUFZOIRS-KBUFDJFCSA-N 309.365 3.031 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@H](c2nc(C)no2)C(C)C)c1 185448722 FSEUYNICLMQATI-BONVTDFDSA-N 305.378 3.140 10 10 DGCE COc1ccccc1C(=O)N1CCc2cc(N3CCCC3)ccc21 41121281 XZRKXJJQOVSHIC-UHFFFAOYSA-N 322.408 3.498 10 10 DGCE COc1cc(OC)c(N2C[C@@H](C(C)C)NC[C@H]2C)cc1Cl 86155300 YTAMYCBTVSESNW-YPMHNXCESA-N 312.841 3.180 10 10 DGCE CNCc1ccc(N(C)[C@H](C)CSC)c(Br)c1 234408135 OSQGGQCZHGOWHJ-SNVBAGLBSA-N 317.296 3.356 10 10 DGCE CCOC(=O)[C@H](NCCCN=[N+]=[N-])c1ccc(Cl)c(F)c1 90259798 CUPYWCFEGPAVKY-GFCCVEGCSA-N 314.748 3.373 10 10 DGCE CCOc1ccc(O)c(CN[C@H]2CCO[C@@H](CC(C)C)C2)c1 271952787 FATGXXDIXAAZMG-RDJZCZTQSA-N 307.434 3.474 10 10 DGCE CO[C@H](C)c1nsc(NCc2ccc3c(c2)CCCN3C)n1 800848657 WQLSTVFAOHRGCT-LLVKDONJSA-N 318.446 3.240 10 10 DGCE CO[C@@H](C)[C@@H](C)N[C@H](C)c1ccc(Br)cc1O 290241661 SQDHVNMUEZVCEK-BBBLOLIVSA-N 302.212 3.229 10 10 DGCE Oc1cc(F)c(Cl)cc1CN1CCC(n2ccnc2)CC1 295451310 VFRRGUDLBONPHN-UHFFFAOYSA-N 309.772 3.218 10 10 DGCE COc1cc2c(cc1F)CC[C@@H]2NCc1cc(F)ccc1O 802658261 QFVOPNKZKNYOON-HNNXBMFYSA-N 305.324 3.456 10 10 DGCE COc1ccc(C(=O)N(C)Cc2ccccc2O)cc1Cl 815796911 SHKTUZYSOACQFU-UHFFFAOYSA-N 305.761 3.326 10 10 DGCE Cc1ncccc1/C=C\C(=O)NCCCSc1nccs1 823297278 AQYNEHRXANGNKZ-WAYWQWQTSA-N 319.455 3.158 10 10 DGCE CC(C)[C@@]1(CO)CCCN(C/C=C/c2ccc(N(C)C)cc2)C1 835055486 KUFCJMFMNXZPHG-CYXJOQHWSA-N 316.489 3.496 10 10 DGCE O=C(C[C@@H]1CC[C@@H]2C[C@H]12)NCc1cc(Br)ccc1O 831932915 MFPKVJUJWDXHSH-NRUUGDAUSA-N 324.218 3.207 10 10 DGCE CN1CCC[C@@]2(CCN(C/C=C/c3ccc(N(C)C)cc3)C2)C1 835055622 LVVDZWJBCMFFPT-PEAOBZDDSA-N 313.489 3.184 10 10 DGCE C[C@@H]1CN(Cc2cc3c(cc2O)CCC3)C[C@H](C(F)(F)F)O1 744445454 VSNUVRIRHMXFDV-MEBBXXQBSA-N 315.335 3.033 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1[C@H]2CCC[C@H]21 840360070 LJQAUUNSUXHGNV-VIBAHUMZSA-N 315.461 3.090 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@@H](C2CC2)[C@@H]2CCCCO2)c1 848558900 PPBRQOITBNMPOL-IGNZVWTISA-N 305.418 3.399 10 10 DGCE Oc1ccc(Cl)c(F)c1CN1CCC[C@H]([C@@H]2CCCN2)C1 843045345 NUUXCWMCAZCCRE-FZMZJTMJSA-N 312.816 3.149 10 10 DGCE COc1ccc(NCc2c(O)cc(C)cc2Cl)cc1CO 840907417 XTTMPAQGDAXDMS-UHFFFAOYSA-N 307.777 3.467 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H](F)[C@@H]1c1ccc(N)cc1O 1953073903 LQTYCTVICQTFME-JSGCOSHPSA-N 310.369 3.385 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1CCc2ccccc2C1 759589787 SUSAAVNMNULICY-VSGCLNPGSA-N 324.376 3.459 10 10 DGCE CCc1[nH]nc(Cl)c1CNCc1ccc(N(C)C)cc1C 921746603 GHMUWIZFNUDJJU-UHFFFAOYSA-N 306.841 3.290 10 10 DGCE CCCCN(Cc1ccccc1O)[C@H](C)c1n[nH]c(CC)n1 852018259 KTAWZVQMKPUFCZ-CYBMUJFWSA-N 302.422 3.436 10 10 DGCE COc1cc(O)c(CN2CCC[C@@H](C3CCC3)C2)cc1OC 853588567 GWAJRHNNMXQQBT-CQSZACIVSA-N 305.418 3.422 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C)CC(F)(F)F 935945060 JDMDUFMOPNDJAA-SECBINFHSA-N 310.312 3.083 10 10 DGCE C[C@@H](NCCc1cnc(C2CC2)nc1)c1cc(F)ccc1O 756768675 FZYFXGYQBICMCX-LLVKDONJSA-N 301.365 3.092 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCCC[C@@H]2F)c1 868919120 XOBJHBCLQLDTTH-LEWSCRJBSA-N 310.369 3.042 10 10 DGCE Cc1ccccc1C[C@@H](C)N(C)Cc1cc2c(cc1O)OCO2 775204417 QGCJEBNNMWZIKG-CQSZACIVSA-N 313.397 3.492 10 10 DGCE COc1ccc(O)c(CNC[C@@]2(C)CCOC3(CCC3)C2)c1 895822514 ODHIKHRDTVRNTH-KRWDZBQOSA-N 305.418 3.230 10 10 DGCE C[C@H](NC[C@@H](CO)Cc1ccc(F)c(F)c1)c1ccccc1O 790737617 NTIHRCKCZCIVIQ-JSGCOSHPSA-N 321.367 3.172 10 10 DGCE Oc1ccc(Cl)cc1CNCc1cc(Br)no1 718880689 DMEXONFRYOEZJO-UHFFFAOYSA-N 317.570 3.086 10 10 DGCE C[C@H](NC(=O)c1cc(Cl)c2c(c1)OCO2)c1ccccc1O 1302532505 GLXZBXDZNKVRSP-VIFPVBQESA-N 319.744 3.265 10 10 DGCE Oc1cc(Br)ccc1CN[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21 1462521574 QHHGYQIBANYJQZ-RMTQGBGSSA-N 308.219 3.289 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1ccc2[nH]ccc2n1 1294681516 NGPGGEBVABVOOX-UHFFFAOYSA-N 309.369 3.321 10 10 DGCE Cc1cc(C)c2c(c1)N(C(=O)/C=C/c1cncc(O)c1)CCC2 1464793461 RIFAAFNKGSBMTQ-AATRIKPKSA-N 308.381 3.397 10 10 DGCE C[C@@H](CC(=O)NCc1cc(O)ccc1O)c1c[nH]c2ccccc12 1471661295 MIVPJTBPCCQWPK-LBPRGKRZSA-N 324.380 3.389 10 10 DGCE CCc1ncsc1NC(=O)c1ccc(N=NC(N)=O)cc1 1623353480 UHOAIPNGXCIQTH-UHFFFAOYSA-N 303.347 3.120 10 10 DGCE CC[C@@H](c1ccncc1)N(CC)C(=O)Cc1ccc(O)c(O)c1 1634069022 QZSMTZGHXLFUNW-HNNXBMFYSA-N 314.385 3.035 10 10 DGCE CN[C@@H](C[C@H](C)N(C)C(=O)OC(C)(C)C)c1ccccc1O 1925319829 VCODLFMVOJIRBX-JSGCOSHPSA-N 308.422 3.298 10 10 DGCE Cc1ccc(F)c2oc(C(=O)NCc3c(O)cccc3O)cc12 1635850079 HIRWTAQNUJHQLG-UHFFFAOYSA-N 315.300 3.222 10 10 DGCE Cc1ccc2occ(CC(=O)NCc3cc(O)ccc3O)c2c1 1633599270 VRLWQCRATJRNMS-UHFFFAOYSA-N 311.337 3.011 10 10 DGCE Cc1ccc(C(=O)NC[C@@H]2C[C@H]2Cc2ccccc2)c(O)c1O 1648797931 KWMUCMTUTDUORY-CABCVRRESA-N 311.381 3.015 10 10 DGCE COC(=O)c1cc(CN(C)c2ccc3c(c2)OCO3)ccc1C 1642301406 YMKIUBSISHWIJJ-UHFFFAOYSA-N 313.353 3.147 10 10 DGCE COC(=O)/C=C\c1ccc(N2C[C@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 1652013779 KTKARXUTJGQPOB-TXKQXAOOSA-N 316.357 3.160 10 10 DGCE CCN(C(=O)OC(C)(C)C)[C@H](C)CNCc1ccc(N)cc1 1929714991 PSVXVQIKIPAGDZ-CYBMUJFWSA-N 307.438 3.004 10 10 DGCE CN(C)CCN(Cc1ccccc1)c1ccc(CO)cc1Cl 1931935722 OYOPKFKCLKCVKP-UHFFFAOYSA-N 318.848 3.401 10 10 DGCE CCCN(Cc1cc(OC)c(OC)cc1O)C[C@H]1CCCCO1 160161320 BGJFMZXVWXFPGN-OAHLLOKOSA-N 323.433 3.191 10 10 DGCE CN(C(=O)COc1cccc(Cl)c1F)c1ccc(N)cc1 167091477 PBINBGVYSZEWKP-UHFFFAOYSA-N 308.740 3.103 10 10 DGCE CCCOC(=O)c1ccc(/N=N/N(C)C2CCN(C)CC2)cc1 1860482563 UKXQGWNUROBJLW-VHEBQXMUSA-N 318.421 3.278 10 10 DGCE C[C@H](N)c1ccc(N2C[C@@H](C)[C@@H](F)C2)c(Br)c1 1947332422 HZTNPZXGUGCKPY-PTRXPTGYSA-N 301.203 3.263 10 10 DGCE C[C@H]1CCC[C@H](CNC(=O)OC(C)(C)C)N1CCCN=[N+]=[N-] 1962287060 FEOVKPHTAIXCAP-QWHCGFSZSA-N 311.430 3.455 10 10 DGCE COC[C@](C)(NCc1cc(Br)ccc1O)C1CC1 1967799145 SURZKHWRPLDHEP-AWEZNQCLSA-N 314.223 3.059 10 10 DGCE COc1ccc(Br)c(CNC2C[C@H]3C[C@@H]3C2)c1O 1967754086 ZKVLJLLODGJDPH-RKDXNWHRSA-N 312.207 3.051 10 10 DGCE CS(=O)(=O)c1ccccc1NCc1cc(Cl)ccc1O 37075936 DQDVXLWBDNXSJV-UHFFFAOYSA-N 311.790 3.061 10 10 DGCE Cc1cccc(CNC[C@H](C)C(=O)OCc2ccccc2)c1O 1994452166 WWFSOZSFHVJDQY-HNNXBMFYSA-N 313.397 3.170 10 10 DGCE C[C@H]1OCc2[nH]c(C3=S=Nc4ccccc43)nc(=S)c21 2159957517 ZZZWAMYPJDBWGN-SSDOTTSWSA-N 301.396 3.210 10 10 DGCE Oc1cc(F)ccc1CNCc1coc(Br)c1 2024894819 GFKUVNYBVOKXBI-UHFFFAOYSA-N 300.127 3.177 10 10 DGCE CCc1nsc(Sc2ncc(CNC(C)C)s2)n1 2037792800 DVAYSFJRHQTJRZ-UHFFFAOYSA-N 300.478 3.206 10 10 DGCE CNC[C@@H]1CCN(c2ccc(OC(F)(F)F)c(Cl)c2)C1 401193876 CVOKEFXVWUJPHM-VIFPVBQESA-N 308.731 3.284 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 362009536 IPXHGYRSHIGURI-ZMJPVWNMSA-N 314.212 3.308 10 10 DGCE CN[C@@H](C)c1ccc(N2CC3(CN(Cc4ccccc4)C3)C2)cc1 706662210 OBWPYEPUJAUCGH-KRWDZBQOSA-N 321.468 3.289 10 10 DGCE C[C@H]1CCN(c2ccc(CN)cc2C(F)(F)F)CCS1 379547766 HNPVZKNLXGYKNG-JTQLQIEISA-N 304.381 3.496 10 10 DGCE CN(C[C@@H]1CCSC1)c1ccc(CN)cc1Br 718479467 NFXZFBBKJALWER-NSHDSACASA-N 315.280 3.097 10 10 DGCE CC(C)c1cnn(Cc2c(O)cccc2Br)c1N 2070301995 RMNKPYVFDMDGJV-UHFFFAOYSA-N 310.195 3.105 10 10 DGCE CNCc1ccc(N(C)[C@@H]2CC[C@H]3C[C@@H]32)c(Br)c1 2046852466 CLZCOPPKXUUZCM-SGMGOOAPSA-N 309.251 3.403 10 10 DGCE CO[C@@H]1CC[C@H]1CCN(C)c1cc(Cl)c(CN)cc1F 2186880931 YHZLTYWCRLEIKB-ZUZCIYMTSA-N 300.805 3.189 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2Cc1cc(Cl)ns1 2195973089 XSAJZIYGIGJVPK-UHFFFAOYSA-N 309.822 3.262 10 10 DGCE CN(CC[C@@H]1CC1(F)F)c1ccc(CO)cc1Br 2075423820 FSJPOBTWDKRYJR-SNVBAGLBSA-N 320.177 3.423 10 10 DGCE COc1ccc(Br)c(CN(C)[C@@H](C)C(F)F)c1O 2220489003 IKRROWKGXACADS-ZETCQYMHSA-N 324.165 3.249 10 10 DGCE OCc1ccc(N2CCC3(CC=CC3)C2)cc1Br 2258902781 ISYLLGXJPQBSDF-UHFFFAOYSA-N 308.219 3.488 10 10 DGCE COc1ccc(N(C)C(=O)C=Cc2cnc(C)s2)cc1F 2298677247 KTUBMPKUEJSMTK-UHFFFAOYSA-N 306.362 3.275 10 10 DGCE CS[C@@H]1CC[C@H]1N(C)c1ccc(CN)c(Br)c1 2307631283 ZCIDOLWPXNKLDG-CHWSQXEVSA-N 315.280 3.238 10 10 DGCE CC[C@@H](C(C)=O)N(C)Cc1ccc(C)c(Br)c1O 2327613968 ZEIMILIECPRBQP-LBPRGKRZSA-N 314.223 3.263 10 10 DGCE [N-]=[N+]=NCC1(CNC(=O)c2cc(Cl)cc(Cl)n2)CC1 2335533809 ZKFQIBAYAMTFFS-UHFFFAOYSA-N 300.149 3.209 10 10 DGCE CCN(CC)c1ccc(CNC(=O)c2ccc(C=O)cc2)cc1 171384457 MCJKDQHMKQZKIG-UHFFFAOYSA-N 310.397 3.275 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)N2CCc3ccccc32)c1 170903121 XXKQNEVRPRQTTI-GFCCVEGCSA-N 312.369 3.234 10 10 DGCE CC[C@@H](NC[C@H](O)c1ccccc1OC)c1ccccc1O 186122873 UCRLXNSAVQWMSJ-WBVHZDCISA-N 301.386 3.175 10 10 DGCE CC[C@@]1(C)C[C@H]1C(=O)NC1CCN(c2ccc(OC)cc2)CC1 127402998 QMSZJQXANJZLRI-HKUYNNGSSA-N 316.445 3.216 10 10 DGCE O=C(O)/C=C/c1ccc(N2CCO[C@@H]3CCC[C@H]32)c(Cl)c1 227188850 ISYZDERQAZPEQG-IPKOWEFYSA-N 307.777 3.196 10 10 DGCE Cc1cc(CN)ccc1N1CCN(Cc2ccccc2)C[C@H]1C 382785635 XSZMVCULDVJZSD-QGZVFWFLSA-N 309.457 3.164 10 10 DGCE Cc1ccc(C(=O)N2[C@H]3CC[C@H]2CC2(C3)CC2(F)F)c(O)c1O 529653842 CPDIHYKMFXRYIW-QWRGUYRKSA-N 323.339 3.199 10 10 DGCE C[C@H]1C[C@@H](C)CN(c2cc3c(cc2Cl)[C@H](N)C(=O)N3)[C@@H]1C 253092398 HBRAXFAUSLJBCE-VGAUDOQQSA-N 307.825 3.163 10 10 DGCE Cc1cc(O)c(CNCC2(CO)CC3(CCC3)C2)cc1Cl 825726936 ZLJOCUQHJYTKAA-UHFFFAOYSA-N 309.837 3.386 10 10 DGCE Cc1cc(O)c(CN2CC[C@H](C(F)(F)F)[C@H](N)C2)c(Cl)c1 903983063 BFFQXZFXJBAXAU-CMPLNLGQSA-N 322.758 3.066 10 10 DGCE CC(C)/C=C\C(=O)NCc1ccc(N2CCSCC2)cc1 588604633 AFCYDEDPZVVSOR-BAQGIRSFSA-N 304.459 3.068 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)NC1CCC(C(F)F)CC1 838103663 RYUOGXLNVZGBDB-WAPJZHGLSA-N 311.328 3.051 10 10 DGCE O=C1C[C@@H](c2cccc(N[C@@H]3CCc4cccc(O)c43)c2)CN1 834755381 FVTXGVFFDDIFDA-GDBMZVCRSA-N 308.381 3.095 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1CCC(C2CC2)CC1 831924971 PWHIQIKKFZOFTB-JQRITLKVSA-N 317.429 3.361 10 10 DGCE Oc1cccc2c1[C@@H](NCc1ccc3c(c1)OC(F)(F)O3)CC2 842891879 XHLSJBCQZPOKNA-LBPRGKRZSA-N 319.307 3.491 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)c1cccnc1 746173674 KFBCUGDNYZQSIU-OAHLLOKOSA-N 311.429 3.300 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NCc1cnc(Cl)n1C 848555660 CORDAKWDFHFVMR-CYBMUJFWSA-N 320.868 3.169 10 10 DGCE C[C@H](NC(=O)N[C@H](c1ccccn1)C1CC1)c1ccccc1O 925570503 JSQPJCPACWXGCT-SJCJKPOMSA-N 311.385 3.299 10 10 DGCE Cn1cc(CNCc2cc(Cl)cc(Cl)c2O)c(Cl)n1 857046137 IKDOMFGXWHQGHB-UHFFFAOYSA-N 320.607 3.376 10 10 DGCE CC[C@H](NC[C@@H]1CNCCC1(F)F)c1cc(Cl)ccc1O 925777871 RGYSPTAYRLMUKL-GWCFXTLKSA-N 318.795 3.331 10 10 DGCE CCN(C)c1ccc([C@@H](C)NC[C@H]2CNCCC2(F)F)cc1 925779998 DDGXGXMXQBJNHJ-UKRRQHHQSA-N 311.420 3.038 10 10 DGCE CN(C)Cc1cccc(NC(=O)N2Cc3cccc(O)c3C2)c1 866100402 UCADQOOLRHDGOX-UHFFFAOYSA-N 311.385 3.002 10 10 DGCE O=C(NCCCSc1nccs1)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21 865784461 YLXWDPNQOXOLQL-UJPOAAIJSA-N 308.472 3.034 10 10 DGCE Cc1cc(Cl)nc(CNC(=O)N[C@@H](C)c2ccccc2O)c1 868580824 HOCROONGIYBFPL-NSHDSACASA-N 319.792 3.309 10 10 DGCE c1ccc([C@H]2CCCN2Cc2ccc(N3CCOCC3)cc2)nc1 768356356 XGKOJHMTZZZZQB-HXUWFJFHSA-N 323.440 3.255 10 10 DGCE COCc1sccc1C(=O)NCc1ccc(N(C)C)cc1C 865904247 LCOVJFDIGOVDLW-UHFFFAOYSA-N 318.442 3.199 10 10 DGCE Fc1cc(CN[C@]23CCCC[C@@H]2C3)ccc1N1CCOCC1 865704559 VNTMUWHKGJJLOJ-QAPCUYQASA-N 304.409 3.085 10 10 DGCE CC1(C)Cc2ccc(C(=O)N3Cc4cccc(O)c4C3)cc2O1 871199984 XFCIPKQBUVIAOJ-UHFFFAOYSA-N 309.365 3.262 10 10 DGCE CC(=O)c1cc(Cl)cc(CN[C@]23CCC[C@H]2OCC3)c1O 872313917 SYBFEYVFIDJHHO-ZBFHGGJFSA-N 309.793 3.049 10 10 DGCE Oc1c(F)cc(Cl)cc1CN1CCC[C@@H](OC(F)F)C1 781531391 AMRLATAGVOJMRG-SNVBAGLBSA-N 309.715 3.388 10 10 DGCE O=C(NCCC1(F)CCC1)c1cc2cc(O)c(O)cc2s1 897767695 ZXARVFDUEVUCDH-UHFFFAOYSA-N 309.362 3.325 10 10 DGCE Cc1cccc(CNC[C@@H]2CCCN2Cc2ccccc2)c1O 390528853 KQGIXJVYDFOKMF-IBGZPJMESA-N 310.441 3.455 10 10 DGCE C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CC1(C)C 785427477 XQYSBWSEIUQWPD-HIFRSBDPSA-N 306.425 3.187 10 10 DGCE C[C@H]1CCC[C@@H](CNCc2cc(Br)ccc2O)O1 688864622 HDFZQCCPRPKNRN-GWCFXTLKSA-N 314.223 3.202 10 10 DGCE COc1ccc(CNc2cc(OC)c(F)cc2[N+](=O)[O-])c(O)c1 795286044 YLHTVUILDDVARY-UHFFFAOYSA-N 322.292 3.069 10 10 DGCE C[C@@H]1CC[C@@H](N(C)Cc2ccc(Br)cc2O)CO1 691684390 VGHRXZCKEUVTEJ-ZWNOBZJWSA-N 314.223 3.154 10 10 DGCE COC(=O)[C@](C)(NCCN=[N+]=[N-])c1cc(Cl)ccc1Cl 90256918 BCKWOJMHWWQEKC-GFCCVEGCSA-N 317.176 3.282 10 10 DGCE CC(C)NCc1ccc(N2CC(F)C2)c(Br)c1 1917006546 KDCFGUAXOYEDGO-UHFFFAOYSA-N 301.203 3.105 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H](Nc2ccc(N)cc2)C(C)(C)C1 1959376464 ZBERLSCNULBVID-CQSZACIVSA-N 305.422 3.326 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@](C)(NCc2ccc(F)cc2O)C1 1904626535 YBRYQRAURHNSIZ-KRWDZBQOSA-N 324.396 3.020 10 10 DGCE C[C@@H]1CCN(c2ccc(C=CC(=O)O)c(Br)c2)C1 1911918783 MWRHGCSJPXDDNV-SNVBAGLBSA-N 310.191 3.393 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN(S(=O)(=O)c2ccccc2Cl)C1 1912199559 UOYHXYMIOWGGLF-JTQLQIEISA-N 314.798 3.051 10 10 DGCE CCN[C@H](c1ccccc1O)[C@@H]1C[C@@H](C)N1C(=O)OC(C)(C)C 1913596151 PYOZVKCMFGHKGB-IVMMDQJWSA-N 320.433 3.441 10 10 DGCE CC1(C)CO[C@@H](CC(=O)NCc2c(O)ccc3ccccc23)C1 1456310155 OVCHJRYUCNNZNH-AWEZNQCLSA-N 313.397 3.367 10 10 DGCE Cc1cc(CN2CCC(C(=O)OC(C)C)CC2)ccc1N(C)C 1460804344 OTNBQXPUTJGBDT-UHFFFAOYSA-N 318.461 3.225 10 10 DGCE Cn1ccc2ccc([C@@H]3CNCCN3C(=O)OC(C)(C)C)cc21 1535968769 FZQDVBPWWYJCAO-INIZCTEOSA-N 315.417 3.060 10 10 DGCE CN1CCCc2cc(CNC(=O)[C@@H]3C[C@H]3C(C)(C)C)ccc21 1626940729 NLVQFQOZPCPFPM-HZPDHXFCSA-N 300.446 3.367 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)Nc2cnoc2)cc1 1627760494 AJXHKDQGKMJSEN-UHFFFAOYSA-N 323.352 3.076 10 10 DGCE CCO/C=C\C(=O)N(Cc1ccco1)Cc1ccccc1O 1635647249 DEWFLAPGOVVOEF-LUAWRHEFSA-N 301.342 3.064 10 10 DGCE O=C(NCc1cccc(Cl)c1O)c1ccc([N+](=O)[O-])cc1F 1647826612 BQDHQCAZIXZKNG-UHFFFAOYSA-N 324.695 3.023 10 10 DGCE [N-]=[N+]=NCCCCNC(=O)c1cccc(F)c1Br 231730405 BJWNFCAHKRICMZ-UHFFFAOYSA-N 315.146 3.409 10 10 DGCE COc1ccc(N(Cc2nsc(N(C)C)n2)C(C)C)cc1F 156772491 GCKXLUWOQCANQI-UHFFFAOYSA-N 324.425 3.167 10 10 DGCE C[C@H]1CN(c2ccc([C@@H](C)N)cc2Br)C[C@H]1F 1947332425 HZTNPZXGUGCKPY-YGOYTEALSA-N 301.203 3.263 10 10 DGCE C[C@@H]1CN(CCCN=[N+]=[N-])C[C@@H](C)N(C(=O)OC(C)(C)C)C1 1962305687 URKDHRQCFPPILZ-CHWSQXEVSA-N 311.430 3.264 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1Nc1c(N)cccc1F 1977683479 RCVOMZWCYZSJIG-RISCZKNCSA-N 323.412 3.465 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](Oc3ccc(N)cc3)C[C@H]2C1 1992494595 KTCLDWDUNFVNGT-YWVIFJGQSA-N 318.417 3.293 10 10 DGCE CC(C)(C)OC(=O)N[C@@]12CCC[C@@H](CN(CCCN=[N+]=[N-])C1)C2 1995225315 KOJMTZSUWVAQMG-CZUORRHYSA-N 323.441 3.456 10 10 DGCE COc1cc(NCc2cccc(O)c2O)ccc1Br 168902899 WRFMAMGUMXYIHM-UHFFFAOYSA-N 324.174 3.481 10 10 DGCE C[C@@H](F)[C@H]1CCCN1Cc1c(O)cccc1Br 2010588495 AHZCNNNXRWCUSY-BXKDBHETSA-N 302.187 3.477 10 10 DGCE CO[C@H](C)CN(Cc1ccc(Br)cc1O)C(C)C 688105039 KASOIAMVYOGRPT-LLVKDONJSA-N 316.239 3.400 10 10 DGCE Oc1ccc(Br)cc1CNC[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2 2070870275 SMPWNMHDIRFVRW-AHOLTJJISA-N 308.219 3.146 10 10 DGCE C[C@]1(F)CCCN(Cc2ccc(Br)cc2O)C1 826030474 ZMTONSZSIXPKKQ-ZDUSSCGKSA-N 302.187 3.479 10 10 DGCE C[C@@H]1C[C@@H](F)CN1Cc1cc(Br)cc(F)c1O 1235058174 YOLSUBWJCZAIFX-GMSGAONNSA-N 306.150 3.226 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)cc1 1909108152 KLFFNXLNQNELDR-LKUPVBHCSA-N 321.468 3.417 10 10 DGCE CNCc1ccc(N2CC[C@H](CCF)C2)c(Br)c1 2047229317 FXNJUWAEJUAWII-NSHDSACASA-N 315.230 3.354 10 10 DGCE OCc1ccc(N2[C@H]3CC[C@@H]2C[C@H](F)C3)cc1Br 2072028183 ZGFDRAZQFWECCL-ZSBIGDGJSA-N 314.198 3.411 10 10 DGCE COc1ccc(N(Cc2ccccc2)[C@H]2CCOC2)c(C=O)c1 2211293520 RQRYQPKELMMBGW-KRWDZBQOSA-N 311.381 3.303 10 10 DGCE CN[C@H](C)c1ccc2c(c1)CCN2C[C@]1(Cl)CC1(F)F 2205570828 RQBPZOAILNMITM-QMTHXVAHSA-N 300.780 3.346 10 10 DGCE Cc1ccc([C@@H](C)Nc2cnncc2Br)c(O)c1 2264152678 ZXPAAKMVOXRFDE-SECBINFHSA-N 308.179 3.426 10 10 DGCE CC(=Cc1ccccc1Cl)C(=O)NCc1ccc(O)c(O)c1 2307787328 PKADOPHQEWBVBU-UHFFFAOYSA-N 317.772 3.471 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)NC1(Cc2ccccc2)CC1 2309864134 UCWBGPUIHMMAJI-UHFFFAOYSA-N 309.365 3.003 10 10 DGCE CCN(CCN=[N+]=[N-])C(=O)c1cc(Cl)cc(Cl)c1O 2337778297 UOXDOXRKPDRWLT-UHFFFAOYSA-N 303.149 3.471 10 10 DGCE CC(C)N[C@@](CO)(CSc1nccs1)CC1CCC1 2340831714 HZVDTKTWUGICOZ-AWEZNQCLSA-N 300.493 3.155 10 10 DGCE Cc1ccc(CN2C(=O)[C@@H]3CCC[C@]32C)c(O)c1Br 2352659680 BCJZEOCPVMCNMB-XHDPSFHLSA-N 324.218 3.364 10 10 DGCE CCC(CC)S(=O)(=O)N(CC)Cc1ccc(N(C)C)cc1 108642962 VDTBMWMOORXOJP-UHFFFAOYSA-N 312.479 3.093 10 10 DGCE C[C@H](CC1CC1)NC(=O)NCc1ccc(N2CCCC2)cc1 171851281 MEYMWYRAMDFHHL-CQSZACIVSA-N 301.434 3.275 10 10 DGCE Nc1ccc(CC(=O)N(Cc2ccccc2)CC(F)(F)F)cc1 302884413 DQLYYYNTUSEJKU-UHFFFAOYSA-N 322.330 3.402 10 10 DGCE Cc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(O)c(O)c2)cc1F 181182385 YYUZPIRLAULXIA-FZKGZDJFSA-N 315.344 3.436 10 10 DGCE Cn1nc(C(F)F)c(CN2CCC(N=[N+]=[N-])CC2)c1Cl 2364931473 DRFLMPTVYHTVQM-UHFFFAOYSA-N 304.732 3.286 10 10 DGCE CN(Cc1ccccc1)CC(C)(C)NCc1ccc(O)cc1O 379641898 YSENRPUTZJOFRK-UHFFFAOYSA-N 314.429 3.098 10 10 DGCE CC[C@H]1CN(c2ccc(OC)c(Br)c2)[C@H](C)CN1 88331002 YTKQVFMJHJLYCS-MNOVXSKESA-N 313.239 3.034 10 10 DGCE CNCc1ccc(N(CCOC)Cc2ccccc2)c(F)c1 384356544 HTRURFUCIFCGMR-UHFFFAOYSA-N 302.393 3.198 10 10 DGCE CSc1ncc(CN[C@@]2(C(=O)O)CCCCC2(C)C)s1 2373961080 DQKCLKNLPJSPGV-CQSZACIVSA-N 314.476 3.378 10 10 DGCE CSc1ncc(CN[C@]2(C(=O)O)CCCC23CCC3)s1 2374341501 XWDDHQVPEPFPQT-AWEZNQCLSA-N 312.460 3.132 10 10 DGCE CC(C)CNCc1ccc(N2CC[C@@H](O)[C@H](C)C2)c(Cl)c1 253173994 CTYWHQJZFIYYKY-CXAGYDPISA-N 310.869 3.293 10 10 DGCE Cc1cc(CN[C@@H](c2ccccc2)c2nc[nH]n2)ccc1N(C)C 808707745 XQUHSKBAQLSTNH-SFHVURJKSA-N 321.428 3.058 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)c1nc([C@@H](C)OC)ns1 800858000 CVAXCHIINIPIQP-GFCCVEGCSA-N 320.462 3.338 10 10 DGCE CCN1CCc2cc([C@H](NC)c3cc(Cl)ns3)ccc21 2167194055 KLLSGAZQHPYBSW-HNNXBMFYSA-N 307.850 3.488 10 10 DGCE COCCNCc1ccc(N(C)CC(C)(C)F)cc1Cl 2165898123 YDSMVEMRTHAPQP-UHFFFAOYSA-N 302.821 3.260 10 10 DGCE COc1ccc(N(C)Cc2noc3c2CCCC3)cc1OC 731211864 FUAGDFXZFGVDNP-UHFFFAOYSA-N 302.374 3.207 10 10 DGCE C[C@]1(F)CCCN(C(=O)NCCCSc2nccs2)C1 838515172 JVVYQFYZIGPGMX-ZDUSSCGKSA-N 317.455 3.159 10 10 DGCE Oc1cccc2c1[C@@H](N[C@@H]1CCO[C@@H](c3cccnc3)C1)CC2 842914351 CUFVPPSNNNXLJO-SOLBZPMBSA-N 310.397 3.284 10 10 DGCE CC(C)c1csc(NC(=O)NCCc2ccc(N)cc2)n1 841017859 JAPBKOQXPXNXCH-UHFFFAOYSA-N 304.419 3.213 10 10 DGCE COc1ccc(O)c(CN2CCO[C@H](C3CCCCC3)C2)c1 758062593 LSJTVVMBBBWQOZ-SFHVURJKSA-N 305.418 3.182 10 10 DGCE CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CN(CCCCN=[N+]=[N-])C2 1897724221 ZKNZXACLQFZADY-BBRMVZONSA-N 323.441 3.314 10 10 DGCE COC1(CNCc2ccc(Cl)cc2O)CCSCC1 1879932997 UEYWTCBPWDUYOY-UHFFFAOYSA-N 301.839 3.047 10 10 DGCE O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@@H]12 864861998 IFVXLCQSZZBKLX-GYFISPQKSA-N 310.441 3.195 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@@H](C)c2ccncc2)cc1 864926963 PYEWPOYLRBAVMA-HNNXBMFYSA-N 311.429 3.348 10 10 DGCE COc1ccc(N2CCN(C(=O)[C@H](C)CC(C)(C)C)CC2)cc1 771869814 YOBPASMNTQUMGV-OAHLLOKOSA-N 318.461 3.416 10 10 DGCE CC[C@@H]1CN[C@H](C)CN1c1ccc(OC)c(Br)c1 88330949 JOTCDHCLJQMBAV-GHMZBOCLSA-N 313.239 3.034 10 10 DGCE CCCSCCNCc1ccc(Br)cc1O 701061754 ZGLISGQRMLJXBW-UHFFFAOYSA-N 304.253 3.388 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)c1c(F)ccnc1Cl 1146233001 OYUOBKBWRWREIY-UHFFFAOYSA-N 315.131 3.163 10 10 DGCE CC[C@]1(Nc2ccc(N)cc2)CCN(C(=O)OC(C)(C)C)C1 1959352039 OEJYLKYQLMOEHF-KRWDZBQOSA-N 305.422 3.470 10 10 DGCE COC(=O)[C@H](NCCCN=[N+]=[N-])c1cccc(Cl)c1Cl 90259622 RDWOKFGOZQLFNU-LLVKDONJSA-N 317.176 3.498 10 10 DGCE OCc1ccc(N2CC[C@H](CC(F)F)C2)c(Br)c1 1916725798 YBFLTKYGWGLXHU-SECBINFHSA-N 320.177 3.423 10 10 DGCE CC(C)(C)c1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cn1 1304631537 FAHVCETYGGDLPG-UITAMQMPSA-N 312.369 3.442 10 10 DGCE Cc1cc(NC(=O)c2ccc(N=NC(N)=O)cc2)c(C)cc1O 1472553492 CRESBBSQDDKHOK-UHFFFAOYSA-N 312.329 3.424 10 10 DGCE CN(Cc1ccccc1O)C(=O)c1cc(F)cc2ccncc12 1622312727 YPBYVQOOMDJDCQ-UHFFFAOYSA-N 310.328 3.352 10 10 DGCE C[C@@H](CC(=O)NCc1ccc2cccnc2c1O)c1ccncc1 1638573092 IRCHOKIJURXVPD-ZDUSSCGKSA-N 321.380 3.145 10 10 DGCE COc1ccc(N(CCc2ccccc2)CC2OCCO2)cc1 1644866172 YXZFJTUYSPTFDD-UHFFFAOYSA-N 313.397 3.117 10 10 DGCE O=C(NCc1cc(O)ccc1O)[C@@H]1CC[C@@H](c2ccccc2)C1 1644754514 ZOOGLOFANYJNAK-HUUCEWRRSA-N 311.381 3.298 10 10 DGCE CCN(C(=O)OC(C)(C)C)[C@H](C)C[C@H](N)c1ccccc1O 1928470609 PYXLEEASIQNNCB-OCCSQVGLSA-N 308.422 3.428 10 10 DGCE C[C@H]([C@H](N)c1ccccc1O)N(C(=O)OC(C)(C)C)C1CC1 1928476399 JDFMYLPVOMYWAY-ABAIWWIYSA-N 306.406 3.180 10 10 DGCE CC/C=C/CNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C 1686574020 LWSUUBSRYLAGGN-MVGZEHJDSA-N 303.450 3.257 10 10 DGCE C[C@@H]1CN(C)CC[C@@H]1NCc1cc(Cl)cc(Cl)c1O 134407867 YFNQPYHZWINCIK-RNCFNFMXSA-N 303.233 3.129 10 10 DGCE CNCc1ccc(N(C)CC(F)(F)F)c(Br)c1 234401010 CGWCSXWTJZUILM-UHFFFAOYSA-N 311.145 3.167 10 10 DGCE CC(C)(C)OC(=O)NCC1([C@@H](N)c2ccccc2O)CCCC1 1936986665 KSZXRFROPGPHPS-HNNXBMFYSA-N 320.433 3.477 10 10 DGCE CN[C@H](CC1CC(NC(=O)OC(C)(C)C)C1)c1ccccc1O 1936971135 SLMBSGNSLBLNMY-SSDMNJCBSA-N 320.433 3.346 10 10 DGCE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)c1ccc(N2CCCC2)cc1 1977942701 YBOBEFFAJVHRFB-CZUORRHYSA-N 319.449 3.200 10 10 DGCE C[C@@H](NCC1(N(C)C(=O)OC(C)(C)C)CC1)c1ccccc1O 1988064361 SNHBKKAHBVZPSH-CYBMUJFWSA-N 320.433 3.442 10 10 DGCE CN(C[C@@H]1[C@H]2CCC[C@H]21)c1ccc(CO)c(Br)c1 2032795002 NYDYGUSYBGOKIO-WDNDVIMCSA-N 310.235 3.424 10 10 DGCE CCN[C@H](C)c1cnc(Sc2nnc3ccccn23)s1 2159804690 FWRISZQAITZKRW-SECBINFHSA-N 305.432 3.008 10 10 DGCE Cc1ccc(C[C@H](O)Cc2ccc(N)cc2)cc1Br 696583296 HHGYOSUQEWFGLR-OAHLLOKOSA-N 320.230 3.486 10 10 DGCE CN(Cc1ccncc1)c1cc(Br)c(CN)cc1F 394197676 MHYKMNLEDIOWCO-UHFFFAOYSA-N 324.197 3.078 10 10 DGCE C[C@](NCCCN=[N+]=[N-])(C(=O)O)c1c(F)cccc1Cl 394223704 LFFXUMBKKNXXEP-GFCCVEGCSA-N 300.721 3.069 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1cccc2c1COC2 2063175842 PSYGICKVKBMCCW-UHFFFAOYSA-N 311.381 3.475 10 10 DGCE C[C@H](N)c1ccc(N(C)[C@H](CCO)C(F)(F)F)cc1Cl 2178510088 CHORKKHUCWAPON-QPUJVOFHSA-N 310.747 3.109 10 10 DGCE O=C(NCc1c(O)cc(O)cc1O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 2064802886 VDTPQVWEVONFFY-RWMBFGLXSA-N 319.401 3.026 10 10 DGCE COc1cccc(O)c1[C@@H](C)NCc1ccc2cnn(C)c2c1 2065218743 RNNRBPLBCUSVRK-GFCCVEGCSA-N 311.385 3.138 10 10 DGCE COc1ccc([C@@H](C)n2ncc(-c3ccccc3)c2N)c(O)c1 2070241634 WMLFEARPAJZAKN-GFCCVEGCSA-N 309.369 3.456 10 10 DGCE CCNCc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3C(F)F)cc1Cl 2192283511 ULWQWLNDFIBPDD-IMRBUKKESA-N 300.780 3.397 10 10 DGCE Nc1cccc(Br)c1N[C@H]1CCC[C@H]2CC[C@H]1N2 2071577807 MFQZYKSEGPRUET-TVYUQYBPSA-N 310.239 3.116 10 10 DGCE CN(C(=O)/C=C/c1cnc2ccccc2n1)c1ccccc1F 102253288 YDNGZHWAHGGJRC-ZHACJKMWSA-N 307.328 3.445 10 10 DGCE CN(Cc1cc(Cl)ns1)c1c(F)cc(CO)cc1F 2110912233 PWWCPMKEKIJBCB-UHFFFAOYSA-N 304.749 3.203 10 10 DGCE CC[C@H]1C[C@@H]1CNCc1c(Br)ccc(OC)c1O 2220463079 WBFQWAPSPJCJIX-VHSXEESVSA-N 314.223 3.299 10 10 DGCE COc1ccc(Br)c(N(C)Cc2ccccc2O)n1 2265780040 MPOFZEIPXALLGF-UHFFFAOYSA-N 323.190 3.195 10 10 DGCE Cc1sc(=NCCc2ccc(N)cc2)[nH]c1C(F)(F)F 2295399160 SARMQTPZOJDMTK-UHFFFAOYSA-N 301.337 3.129 10 10 DGCE Cc1cccc(N2NC(=O)C(=Cc3ccc(Cl)cc3)C2=O)c1 2297361784 AVLPCGVZDHUZLE-UHFFFAOYSA-N 312.756 3.110 10 10 DGCE O=C(C=Cc1ccccc1Cl)NCc1ccc(O)c(O)c1 2307787308 HTLASCRWLSPXHJ-UHFFFAOYSA-N 303.745 3.081 10 10 DGCE C[C@H](O)CCCN(C)c1ccc([C@@H](C)N)cc1Br 2314472071 PSIJRXWFLYBDFH-WDEREUQCSA-N 315.255 3.066 10 10 DGCE Cc1ccc(CNc2cc(N)ccn2)c(O)c1Br 2327585313 GEDSQNUYTRAVDC-UHFFFAOYSA-N 308.179 3.052 10 10 DGCE COC[C@@H](C)[C@H](C)NCc1ccc(C)c(Br)c1O 2327625075 YCQVOOYROSVZGT-MNOVXSKESA-N 316.239 3.224 10 10 DGCE CN(c1ccc(CN)c(Br)c1)[C@@H]1C[C@@H]2C[C@H]1[C@@H]1C[C@@H]21 2330298790 IPAANTUIOIJFNU-KLLIRPSPSA-N 321.262 3.389 10 10 DGCE Cc1ccc(CNC2C[C@H]3C=C[C@@H](C2)O3)c(O)c1Br 2352677334 YSUNVMHOJISNKN-YHWZYXNKSA-N 324.218 3.039 10 10 DGCE Nc1ccc(NC(=O)O[C@@H]2CCN(Cc3ccccc3)C2)cc1 302977126 OKTRDNILOOATBZ-QGZVFWFLSA-N 311.385 3.092 10 10 DGCE COCc1ccsc1C(=O)N(C)Cc1ccc(N(C)C)cc1 179880737 XTUBWGBKANDIGL-UHFFFAOYSA-N 318.442 3.233 10 10 DGCE COc1cccc(CN2CCC[C@H]2c2c(C)nn(C)c2C)c1O 122791573 CTBRENDRPWOOOK-HNNXBMFYSA-N 315.417 3.088 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H](N)[C@@H]1c1c(O)cccc1Cl 1952365093 NEHGICKKBBRBCD-ZWNOBZJWSA-N 312.797 3.055 10 10 DGCE CCOc1ccc(O)c(CN2CCCC[C@@H](N3CCCC3)C2)c1 92785822 UAMJPHZYIMVRCB-QGZVFWFLSA-N 318.461 3.241 10 10 DGCE COCCN(Cc1ccccc1)Cc1cc(C(C)=O)ccc1O 384359914 LGWSKGLARREQNJ-UHFFFAOYSA-N 313.397 3.243 10 10 DGCE Cc1ccc(N=c2scc(-c3ccc(O)c(O)c3)n2C)nc1 254589907 MLWUXDXROFETEU-UHFFFAOYSA-N 313.382 3.101 10 10 DGCE CSc1ncc(CNC2(C(=O)O)CCC3(CC3)CC2)s1 2374098503 YAEKLWGAMPHZAK-UHFFFAOYSA-N 312.460 3.132 10 10 DGCE CN(C)c1ccc(CN(C(=O)c2cccc(O)c2)C2CC2)cc1 272572383 IJABYFADODDMHT-UHFFFAOYSA-N 310.397 3.263 10 10 DGCE COc1ccc(O)c(CN[C@@H](c2ccccc2)[C@@H]2CCOC2)c1 362043873 YBJNKAWSPRCFAN-BEFAXECRSA-N 313.397 3.268 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@H](CCO)c2ccccc2)c1 273467165 FAHJTUXWGVGPBL-SUMWQHHRSA-N 301.386 3.175 10 10 DGCE C[C@H](NCCc1cn[nH]c1)c1ccc(N2CCCCC2)c(F)c1 289701222 IQOMKTFIMROELH-AWEZNQCLSA-N 316.424 3.432 10 10 DGCE CCCN(c1ccc(CN)cc1)[C@H]1CCO[C@H](C(F)(F)F)C1 809654495 FTNQEMSSGQAJOQ-GJZGRUSLSA-N 316.367 3.472 10 10 DGCE C[C@@H](CO)N(C)Cc1ccc2c(c1)CCN2Cc1ccccc1 809742511 AMCUKCQQDSYPJE-INIZCTEOSA-N 310.441 3.062 10 10 DGCE C[C@@H]1CC2(CCNCC2)CN1C/C=C\c1ccc(N(C)C)cc1 818431715 RIHCJXNPGNPKAD-VGOKWCNXSA-N 313.489 3.230 10 10 DGCE CO[C@@H]1CC[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C1 822897844 CUPRNLLEUWJSPY-SJLPKXTDSA-N 318.461 3.305 10 10 DGCE COC(=O)/C(C)=C\CN(Cc1ccco1)Cc1ccccc1O 748818730 XNZGUUOPXBSLIK-ZROIWOOFSA-N 315.369 3.107 10 10 DGCE Cc1ccc(CC[C@H](C)NC(=O)NCc2ccccc2O)o1 743672305 IBFGRJHKNOXNSD-LBPRGKRZSA-N 302.374 3.114 10 10 DGCE C/C(=C/c1ccccn1)C(=O)NCc1ccc(N2CCCC2)cc1 847338557 JQFNNOHIXQYFHN-PEZBUJJGSA-N 321.424 3.402 10 10 DGCE CC(C)(C)OC(=O)Nc1ccc(O)c([C@H]2NCCC2(F)F)c1 1952866788 JKPDZEZEDYBOCR-GFCCVEGCSA-N 314.332 3.409 10 10 DGCE Cc1ccc2c(c1)N[C@@H](c1ccc3c(c1)CCCN3C)NC2=O 846758313 BDKJMNGSVGIQCQ-GOSISDBHSA-N 307.397 3.232 10 10 DGCE Cc1cccc(CNC[C@@H]2CSc3ccccc3O2)c1O 843417300 ADJLHGRVAUEWIW-CQSZACIVSA-N 301.411 3.344 10 10 DGCE CN1CCCc2cc(/C=C3\N=C(c4cccs4)OC3=O)ccc21 748044551 GEUTWRARSWRLRT-KAMYIIQDSA-N 324.405 3.475 10 10 DGCE CC1(C)[C@H]2NCCC[C@H]2[C@H]1NCc1ccc(N2CCCC2)cc1 925543640 NIZYANAQFZRDRI-CEXWTWQISA-N 313.489 3.153 10 10 DGCE C[C@@H]1CC[C@H]([C@H](N)c2ccccc2O)N1C(=O)OC(C)(C)C 1893890262 GLMWMAOZEQEXCM-UXIGCNINSA-N 306.406 3.180 10 10 DGCE CN(Cc1ccc(N2CCCCC2)cc1)c1nccnc1F 858327425 QSTKFIOAFMUWEW-UHFFFAOYSA-N 300.381 3.242 10 10 DGCE Cc1cc(CN[C@@H](CO)C2CCC2)ccc1N1CCCCC1 852321645 YNTJUHFICPKWKJ-SFHVURJKSA-N 302.462 3.236 10 10 DGCE C[C@@H](NC(=O)N1CC(CC2CC2)C1)c1ccc(N(C)C)cc1 856886656 OYACSSSXRRTKHU-CYBMUJFWSA-N 301.434 3.255 10 10 DGCE C[C@@H](NCC[C@@H]1CCOC1)c1ccc(Br)cc1O 757658622 SHFRLYDYXSXJSG-GHMZBOCLSA-N 314.223 3.232 10 10 DGCE CC(C)(C)N1CC[C@@H](Nc2c(N)cccc2Br)C1 697461949 PSZCMBYMULMKAR-SNVBAGLBSA-N 312.255 3.316 10 10 DGCE Oc1cccc(Br)c1Cn1cnc2c1CCCC2 862431204 FYNQECBIPIXZFY-UHFFFAOYSA-N 307.191 3.278 10 10 DGCE CC[C@@H](N[C@@H]1CCN[C@H]1C)c1ccc(Cl)c(Cl)c1O 863547725 WQGGQLHOTVELIB-XXILOJSOSA-N 303.233 3.490 10 10 DGCE O=[N+]([O-])c1cc(F)cnc1NCCCSc1nccs1 865536808 LVOSZBIDZGVVNW-UHFFFAOYSA-N 314.367 3.180 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)c1ncsc1C1CC1 878863717 CJSUGYKOMBHLOY-UHFFFAOYSA-N 315.442 3.325 10 10 DGCE CCCCn1ncc(C(=O)N2Cc3cccc(O)c3C2)c1CC 871204457 KITHYKFSSALYKV-UHFFFAOYSA-N 313.401 3.107 10 10 DGCE CCCCCNCc1cc(Br)cc(OC)c1O 76276060 ZBPOELOAJCHGLS-UHFFFAOYSA-N 302.212 3.443 10 10 DGCE CC[C@H](N[C@@H](CC(=O)NC)c1ccccc1)c1ccccc1O 795849702 QCSJXJNRQWSBJS-IRXDYDNUSA-N 312.413 3.310 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1cccc(F)c1O 1137346596 DIZUHGGWBVTJGL-UHFFFAOYSA-N 303.333 3.289 10 10 DGCE CC[C@]1(NCc2cc(C)cc(Br)c2O)CCOC1 791005713 XGMDGHRXNTWKJM-AWEZNQCLSA-N 314.223 3.122 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2cc(F)cc(Cl)c2O)c1 1306877943 MNYKEIXTTPUXTI-UHFFFAOYSA-N 309.724 3.129 10 10 DGCE CC[C@@H]1[C@@H](Nc2ccccc2N)CCN1C(=O)OC(C)(C)C 1959367793 PVVPHDSVZNEPOW-LSDHHAIUSA-N 305.422 3.469 10 10 DGCE CO[C@H]1CC[C@H](NC(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 1326202963 YDDOLDYAMSVDSO-WMZOPIPTSA-N 312.413 3.391 10 10 DGCE C[C@H](O)c1ccc(N(Cc2ccccc2)[C@H]2CCOC2)cc1O 1915440678 ZVBOPTUMYHNVQJ-YOEHRIQHSA-N 313.397 3.241 10 10 DGCE CCN(C)c1ccc(CN(C)Cc2csnc2OC)cc1 1620614363 MDBHSAJGLNXLPD-UHFFFAOYSA-N 305.447 3.240 10 10 DGCE Cc1cc(CC(=O)N2CCCO2)c(C)n1-c1ccc(Cl)cc1 1631328945 SBDLGJVMYWCOLW-UHFFFAOYSA-N 318.804 3.454 10 10 DGCE C[C@H](NC(=O)C1=NO[C@@H](c2ccccc2)C1)c1ccccc1O 1632250622 YRJWYTXQBFZFNS-YVEFUNNKSA-N 310.353 3.087 10 10 DGCE CCC(=O)N1CCC(CCNCc2ccc(OC)c(C)c2)CC1 1568074695 BAGRUYKOXOJZAB-UHFFFAOYSA-N 318.461 3.132 10 10 DGCE COC(=O)c1cc(OC[C@@H]2C[C@H](C)O[C@H](C)C2)ccc1N(C)C 1641368527 KHAHZIKKYKOISP-WDNDVIMCSA-N 321.417 3.122 10 10 DGCE CC[C@@H](Cc1cccc(C)c1)C(=O)NCc1c(O)cccc1O 1652625521 HBAFQPRUQFITLM-HNNXBMFYSA-N 313.397 3.291 10 10 DGCE CCC[C@H](O)C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C 1587025898 FHPLHBDXCBPVAE-SFHVURJKSA-N 314.429 3.180 10 10 DGCE COC(=O)/C=C\c1ccc(N2CC[C@H]2C(C)(C)C)c([N+](=O)[O-])c1 1652330368 RRLPRQODIZGZKL-LYASGUKUSA-N 318.373 3.406 10 10 DGCE CN(C)c1ccc([C@H](O)C(C)(C)NC(=O)OC(C)(C)C)cc1 1959572320 XFNIVDUWZJEYQX-AWEZNQCLSA-N 308.422 3.089 10 10 DGCE CNCc1ccc(OC)c(COCCOCc2ccccc2)c1 1983395826 WWSOTUKOEPFMSJ-UHFFFAOYSA-N 315.413 3.148 10 10 DGCE Cc1nc(C(C)(C)NCc2cc(Cl)cc(Cl)c2O)n[nH]1 2152063157 MHBMTBHWUXSMNO-UHFFFAOYSA-N 315.204 3.150 10 10 DGCE CCNCc1ccc(N(CCO)Cc2ccccc2)cc1Cl 309766390 IWNRFEARWNETNS-UHFFFAOYSA-N 318.848 3.448 10 10 DGCE Nc1ccc(CCCS(=O)(=O)c2cccc(Cl)c2)cc1 312647660 UNVQADGDWDXJAK-UHFFFAOYSA-N 309.818 3.329 10 10 DGCE CN1CCc2cc([C@@H](CN)N(Cc3ccccc3)C3CC3)ccc21 383600951 VDDAECFYBGYULI-OAQYLSRUSA-N 321.468 3.343 10 10 DGCE Oc1cccc2c1[C@H](NC1[C@@H]3CN(Cc4ccccc4)C[C@@H]13)CC2 398405529 PVXDGAAVJMQWJY-KZNAEPCWSA-N 320.436 3.100 10 10 DGCE C[C@@H](C1CCOCC1)N(C)c1cc(Cl)c(CN)cc1F 2182625531 QIDCHGPDFZVLAO-JTQLQIEISA-N 300.805 3.189 10 10 DGCE C[C@H](c1ccccc1O)N(C)c1nnc(C(F)(F)F)s1 2192598983 VSAQHQRFTCPNLH-SSDOTTSWSA-N 303.309 3.460 10 10 DGCE CC[C@H](CN(C)Cc1cc(Br)cc(C)c1O)OC 2068248655 HMBGGDQIVKIPAR-CYBMUJFWSA-N 316.239 3.320 10 10 DGCE Nc1cccc(Br)c1N[C@@H](CO)[C@@H]1CC=CCC1 2075333644 GGFVDNYZUUICRW-MFKMUULPSA-N 311.223 3.160 10 10 DGCE CCCN[C@@](CSc1nccs1)(C(=O)O)C1CCCC1 2208184355 YHNJUTZKBKLHIC-CQSZACIVSA-N 314.476 3.248 10 10 DGCE Cc1noc(C)c1C=C1SC(=S)N(c2cccnc2)C1=O 2294615462 IJXPWLVZQLFJKJ-UHFFFAOYSA-N 317.395 3.092 10 10 DGCE COC[C@]1(C)C[C@H]1CN(C)c1cc(Cl)c(CN)cc1F 2284730312 WPLZXVRPWMHZAK-NHYWBVRUSA-N 300.805 3.047 10 10 DGCE CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(Cl)cn1 2296800704 OYFYWXCSPDVQNH-UHFFFAOYSA-N 312.760 3.454 10 10 DGCE Cc1ncsc1C=CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 2310086077 NXNFKDKIRAKAGP-UHFFFAOYSA-N 303.343 3.036 10 10 DGCE CSc1ccc(C=C2SC(N3CCCC3)=NC2=O)cc1 2313683695 SPLRJYIYHKDQOZ-UHFFFAOYSA-N 304.440 3.475 10 10 DGCE CCNCc1cc(F)c(N(C)Cc2scnc2C)c(F)c1 111672294 YGLPRAYYXJRIAP-UHFFFAOYSA-N 311.401 3.476 10 10 DGCE CN(C)c1ccc([C@H](Nc2cccc(Cl)c2)C(N)=O)cc1 37942501 MUVLKSXVNXQITD-HNNXBMFYSA-N 303.793 3.045 10 10 DGCE O=C(O)Cc1nc2ccccn2c1/N=N\c1ccc(C(=O)O)cc1 71581242 HLILJNUAUPQUQC-HNENSFHCSA-N 324.296 3.075 10 10 DGCE C[C@@H](NC[C@]1(C)CCCS1)c1ccc(N2CCOCC2)cc1 120386716 SEQZMVBVCFQXBN-QAPCUYQASA-N 320.502 3.460 10 10 DGCE CCO[C@@H]1C[C@H](N[C@@H](C)c2ccc(C)cc2O)C12CCOCC2 186304989 XBFRXRIDNGRXCA-JCGIZDLHSA-N 319.445 3.325 10 10 DGCE CCCN(Cc1cnc2nc(C)cc(C)n12)c1ccc(CN)cc1 194979089 IQXXCQZWMGXGLG-UHFFFAOYSA-N 323.444 3.221 10 10 DGCE CCCN(CCC)c1ccc(CNc2cnn(CCO)c2)cc1 237004332 STCODGZIURIIAY-UHFFFAOYSA-N 316.449 3.114 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CC[C@H](NCc2cccc(F)c2O)C1 382490602 CTHWMNCDCRZJMA-STQMWFEESA-N 324.396 3.067 10 10 DGCE CCC[C@@H](C)OC(=O)/C=C\c1ccc(N2CCOCC2)cc1 255343635 GOYIVFGQNUSHMB-YYRKOSNBSA-N 303.402 3.268 10 10 DGCE C[C@H](N)c1ccc(N2CC[C@]3(O)CCCC[C@H]3C2)c(Cl)c1 250905063 QCYSPHKLACSKSJ-RVSPLBMKSA-N 308.853 3.491 10 10 DGCE C[C@H](N)c1ccc(N(C)Cc2ncc(Cl)n2C)c(Cl)c1 2166108569 KAUAJSUERMHQLK-VIFPVBQESA-N 313.232 3.383 10 10 DGCE C[C@@](O)(CNCc1cc(Cl)c(F)cc1O)c1ccccc1 293763620 ZFUYKOBTCAASBU-MRXNPFEDSA-N 309.768 3.182 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1CC(C(C)(C)C)C1 837519679 CQKHFHNKUFUFIS-LMWSTFAQSA-N 305.418 3.217 10 10 DGCE CN(C)c1ccc(/C=C\CN(C)[C@H](CO)c2ccccc2)cc1 835053460 COWRAVANZPVKHC-WHXUGTBJSA-N 310.441 3.431 10 10 DGCE Cc1cc(C(=O)N[C@@H](C)[C@@H](C)N)c(C)n1-c1cccc(Cl)c1 834822330 WXVCFNWWZMBHJN-NEPJUHHUSA-N 319.836 3.213 10 10 DGCE Cc1cc(O)c(CNC[C@H](O)CCc2ccccc2)c(Cl)c1 840939735 PBXYQIHYILCZIF-OAHLLOKOSA-N 319.832 3.437 10 10 DGCE Oc1c(CN2CC[C@H](Nc3ncccn3)C2)ccc2ccccc12 843414533 HWBSLPOHCAXOAF-INIZCTEOSA-N 320.396 3.022 10 10 DGCE COc1cccc([C@H](C)N[C@@H](C2CC2)[C@H]2CCCOC2)c1O 927066561 MLDZBMNBLFCMST-JDFRZJQESA-N 305.418 3.257 10 10 DGCE c1cc(N2CCOCC2)ccc1CNC[C@]12CCCC[C@H]1C2 922425741 GJYPLUBHBFHKOZ-PKOBYXMFSA-N 300.446 3.193 10 10 DGCE CC[C@@H](CC(C)C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855222823 AZUDLAYSFOBQRU-HOTGVXAUSA-N 318.461 3.462 10 10 DGCE Cc1cc(CN2CC(=O)N(C)c3ccccc3C2)ccc1N(C)C 857887221 PMXPPXOBHJIOSA-UHFFFAOYSA-N 323.440 3.040 10 10 DGCE N[C@H]1C[C@H]2C[C@H]1CN(c1ccc(OCc3ccccc3)cc1)C2 1899866253 WNEAEJIKZTZADG-UWVAXJGDSA-N 308.425 3.439 10 10 DGCE Cc1ccc([C@H](C)NC2CCN(C(=O)OC(C)C)CC2)c(O)c1 756708632 TVKJYOURVUNSLW-AWEZNQCLSA-N 320.433 3.361 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)OCCC(F)(F)F)c1 866841824 NTVMASLBXRVCBT-QMMMGPOBSA-N 307.268 3.140 10 10 DGCE CCO[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)C(C)C 861729438 XKRSHJMOKGBVJZ-ZDUSSCGKSA-N 320.216 3.376 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2[C@H]3CC[C@H]2[C@H](C)C(=O)C3)c1O 879277676 GTOGLAQVUJMQBK-FGEZKYSXSA-N 321.804 3.190 10 10 DGCE CC(C)OC(=O)N1CCC(N[C@@H](C)c2ccccc2O)CC1 783520682 CTBNYFMUVCRUOM-ZDUSSCGKSA-N 306.406 3.052 10 10 DGCE NCc1ccc(N2C[C@@H]3CCCC[C@H]32)c(F)c1Br 706787591 ZNQCOMDTNURYNP-WDEREUQCSA-N 313.214 3.426 10 10 DGCE CSc1c(F)cccc1NC(=O)Cc1ccc(O)c(O)c1 1147040657 WASAGCUDDTXCHZ-UHFFFAOYSA-N 307.346 3.140 10 10 DGCE C[C@H](NC(=O)c1cc(-c2ccccc2)[nH]n1)c1ccccc1O 1302532432 BYRWWGPHWQMYOC-LBPRGKRZSA-N 307.353 3.273 10 10 DGCE C[C@H](NC(=O)NCc1ccccc1O)c1cc2cnccc2o1 1235735971 LSMJIHVMFJKZHR-NSHDSACASA-N 311.341 3.094 10 10 DGCE C[C@@H](N)c1ccc(N(C)CCn2cccc2)c(Br)c1 2115196461 CMMNVMDBCDDFDT-GFCCVEGCSA-N 322.250 3.407 10 10 DGCE O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CC[C@@H]2C[C@@H]2C1 1329237116 RUACACGICQCSBH-BRWVUGGUSA-N 311.429 3.051 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)c1nccc2occc12 1265094450 XQMOUCVJOYTVAZ-UHFFFAOYSA-N 309.369 3.132 10 10 DGCE CCNCc1ccc(N2CC(N(C)Cc3ccccc3)C2)cc1 1914205166 QGZHMVRQRLHZBZ-UHFFFAOYSA-N 309.457 3.117 10 10 DGCE CC[C@H](OC)C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C 1531612060 KVQPATTVSYAXNW-SFHVURJKSA-N 314.429 3.444 10 10 DGCE COc1ccc(N(C)CCN(C)CCCOC(C)(C)C)cc1 1473610952 WFHSRWMDMOOYGQ-UHFFFAOYSA-N 308.466 3.268 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1cc(F)cc(F)c1N 1545505125 VMLBTJKNJPGAJF-UHFFFAOYSA-N 320.339 3.305 10 10 DGCE C[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@H](c2ccco2)C1 1629953458 AFGMZQQYALFLML-OCCSQVGLSA-N 315.369 3.233 10 10 DGCE C[C@@H](NC(=O)N[C@H]1C[C@H]2C=C[C@H]1CC2)c1ccc(N(C)C)cc1 1634435442 NKKVJPGBYLMDDY-OAOQPFQOSA-N 313.445 3.468 10 10 DGCE C[C@@H](C(=O)NCc1cc(O)ccc1O)c1cccc(Cl)c1 1593873237 MOODCABQXZPTGY-SNVBAGLBSA-N 305.761 3.171 10 10 DGCE C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1F)c1ccc(N(C)C)cc1 1671852436 YJSYARNLRZXPHB-VBNZEHGJSA-N 307.413 3.394 10 10 DGCE COc1cc(C)cc(CN2CCO[C@H](c3ccccc3)C2)c1O 163895044 FZDSQPJPFSHRLA-SFHVURJKSA-N 313.397 3.283 10 10 DGCE CN(C[C@H]1CCCN1C)c1ccc(CNC2CC2)cc1Cl 164145642 LEFUPJQQSJYXAD-OAHLLOKOSA-N 307.869 3.122 10 10 DGCE Cc1ccccc1/C=C1/SC(=S)N(CCCN(C)C)C1=O 1858589425 PYCNEXIYJFJNSG-SDNWHVSQSA-N 320.483 3.148 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[C@@H](N)c1ccccc1O 1936987043 OIWQXNRAIXYEFV-WOSRLPQWSA-N 320.433 3.333 10 10 DGCE CC[C@H](C)C[C@](CO)(CSc1nccs1)NC(C)C 2142624286 ORLANNCQYXLRNO-JSGCOSHPSA-N 302.509 3.401 10 10 DGCE Cc1nscc1CNCc1ccc(Br)cc1O 1945102568 NSVHFNMVPWCOEP-UHFFFAOYSA-N 313.220 3.209 10 10 DGCE COc1ccc(Br)c(CNCCCC(F)F)c1O 1965900829 PKTYGZGAOLNHRB-UHFFFAOYSA-N 324.165 3.298 10 10 DGCE CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@H](N)c1ccc(N(C)C)cc1 1977944038 AGDHINWNKIATIS-HZPDHXFCSA-N 321.465 3.302 10 10 DGCE CC(C)(C)OC(=O)NC[C@H]1CN(c2ccc(N)cc2)CC1(C)C 1977931230 GFTSWPZQABFLES-ZDUSSCGKSA-N 319.449 3.256 10 10 DGCE C[C@H](N)c1cc(F)c(N(Cc2ccccc2)[C@H](C)CO)c(F)c1 1990445447 TUMLQWDAMOOCBC-OLZOCXBDSA-N 320.383 3.372 10 10 DGCE Nc1ccc(N2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)cc1 1999448929 HZJAZDUDCZXHNM-UHFFFAOYSA-N 321.302 3.290 10 10 DGCE Nc1ccc(OCCC[S@](=O)c2cccc(Cl)c2)cc1 54186015 UYWVPZRVZYETSQ-HXUWFJFHSA-N 309.818 3.499 10 10 DGCE CC[C@@H](c1cc(Br)ccc1O)N(CC)C[C@H](C)N 2041174837 AEVVUYZJNIZLIN-GWCFXTLKSA-N 315.255 3.275 10 10 DGCE C[C@@H](NCc1ccncc1Br)c1cc(O)ccc1O 686561977 BOWZYVDAQVWIGW-SECBINFHSA-N 323.190 3.106 10 10 DGCE Nc1ccc(C[C@@H](O)Cc2ccc(Br)c(F)c2)cc1 721929249 LPZQKVQNQIVHLJ-CYBMUJFWSA-N 324.193 3.317 10 10 DGCE CC[C@@H]1[C@@H](Sc2nccs2)CC[C@@]1(NC(C)C)C(=O)O 2179114915 QPAUKNOPBVALBK-SUNKGSAMSA-N 314.476 3.245 10 10 DGCE CCOC(=O)c1cnn([C@H](C)c2cccc(C)c2O)c1Cl 2070386607 OTFPDRHMMLHGCS-SNVBAGLBSA-N 308.765 3.337 10 10 DGCE CN(c1cc(Br)c(CN)cc1F)[C@@H]1CCC[C@H]1F 2055388292 KUFPVIPZJDCPBS-ZYHUDNBSSA-N 319.193 3.374 10 10 DGCE CC1=C(Br)CCN(c2ccc([C@H](C)N)c(O)c2)C1 2077209269 YHCLBUKRUGGURB-JTQLQIEISA-N 311.223 3.291 10 10 DGCE CO[C@H]1C[C@H](C)CN(Cc2cc(Br)ccc2O)C1 2085097002 AUJPOGNDCMFQSG-GWCFXTLKSA-N 314.223 3.012 10 10 DGCE O=C1CCN(c2ccc(OC(F)(F)F)cc2Br)C1 2221624597 UWXLUYDZYLJTGH-UHFFFAOYSA-N 324.096 3.127 10 10 DGCE C[C@@H](N)c1ccc(N2CC[C@@H]3C[C@@]3(F)C2)cc1Br 2222718857 RYFGMYMIVVCINX-GPCCPHFNSA-N 313.214 3.407 10 10 DGCE CSc1ncc(CNCc2c(C)nc3scc(C)n23)s1 2284686665 AFPAOJGAMZLJCD-UHFFFAOYSA-N 324.500 3.481 10 10 DGCE CSc1ncc(CN2C[C@H](C)[C@H](CNCC(C)C)C2)s1 2284720736 JLMDLKNAQFQDMH-QWHCGFSZSA-N 313.536 3.179 10 10 DGCE Cc1cc(N2CCS[C@H](C(F)(F)F)C2)ccc1[C@H](C)N 2285125333 BRLLMZBMKFSIDN-GWCFXTLKSA-N 304.381 3.499 10 10 DGCE COc1cc(Cl)sc1[C@H](O)c1ccc2c(c1)CCN2C 2295742592 FYGZCACWAJDHFI-CQSZACIVSA-N 309.818 3.484 10 10 DGCE C[C@@H](O)CN(CC(C)(C)C)c1cc(Cl)c(CN)cc1F 2288018091 ALAHEJZQSWWEID-SNVBAGLBSA-N 302.821 3.171 10 10 DGCE CCCN1C(=O)C(=Cc2ccc(N(CC)CC)cc2)NC1=S 2297316573 BMQDCHIKVQJGAE-UHFFFAOYSA-N 317.458 3.000 10 10 DGCE CCOC(=O)[C@@H]1CCCN(CC=Cc2ccc(N(C)C)cc2)C1 2297318181 HFGHBSYUGAGDJJ-QGZVFWFLSA-N 316.445 3.041 10 10 DGCE CC(C)C1=NN2C(=N)C(=Cc3ccc(F)cc3)C(=O)N=C2S1 2297463103 FDFLECZWRPWEOS-UHFFFAOYSA-N 316.361 3.101 10 10 DGCE CC1=NN(c2ccc(F)cc2)C(=O)/C1=C/c1ccc2c(c1)OCO2 100147924 PNSWCVSUFSDRNI-OVCLIPMQSA-N 324.311 3.361 10 10 DGCE CN[C@@H](C)c1ccc(N(C)CC2CCN(C)CC2)c(Cl)c1 63120998 CPDITUQMMANIIN-ZDUSSCGKSA-N 309.885 3.398 10 10 DGCE CC1CCN(c2ccc(CN[C@H]3CCN(C4CC4)C3)cc2)CC1 178018652 GREITBQJUUCGRS-SFHVURJKSA-N 313.489 3.249 10 10 DGCE C[C@@H](C(=O)Nc1ccc(N)cc1)[S@](=O)c1ccc(Cl)cc1 40960904 WCKZAMTWMRPRPU-CHNSCGDPSA-N 322.817 3.057 10 10 DGCE O=C(O)[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C12CCC2 2364849610 AERNBAYHFYTEHC-SNVBAGLBSA-N 316.184 3.138 10 10 DGCE CCCCOCCCN[C@H](C)c1ccc(N2CCOCC2)cc1 132007533 NDMQPLQTYKNSBE-QGZVFWFLSA-N 320.477 3.381 10 10 DGCE COc1cc(Cl)cc(CN(CCC(=O)O)C(C)(C)C)c1O 229118312 YLBGEQMLCIZNPL-UHFFFAOYSA-N 315.797 3.129 10 10 DGCE CC(C)N(C)c1ccc(/C=C2/C(=O)N(C)c3ccccc32)cn1 190237207 QDEVGYBZYJOSSR-LFIBNONCSA-N 307.397 3.443 10 10 DGCE CC(C)c1ccccc1S(=O)(=O)N(C)Cc1ccccc1O 190690349 GDVWOSGOAUWWFM-UHFFFAOYSA-N 319.426 3.336 10 10 DGCE FC(F)(F)Oc1ccc(N2CCCN[C@H](C3CC3)C2)cc1 86269341 MDDDCFCFGRTNJQ-AWEZNQCLSA-N 300.324 3.164 10 10 DGCE CC(C)N(Cc1ccc(N)cc1)Cc1cn2ccsc2n1 148766970 JPFAJZYWKURYIA-UHFFFAOYSA-N 300.431 3.389 10 10 DGCE C[C@H]1[C@H](C)Cc2cc(O)c(O)cc2[C@H]1c1ccc(O)c(O)c1 248335229 MUBLYIKZGKHTMF-AUSHCKSDSA-N 300.354 3.469 10 10 DGCE biogenic Cc1ccc(N)c(NC(=S)Nc2cccc(N(C)C)c2)c1 242829193 FPJODIDKOBSCIP-UHFFFAOYSA-N 300.431 3.452 10 10 DGCE CC1=NN(c2ccccc2)C(=O)[C@H]1N=Nc1ccccc1C(=O)O 255980835 JHMOLDMNRXZOMQ-HNNXBMFYSA-N 322.324 3.260 10 10 DGCE Oc1cccc2c1[C@@H](NCc1ccnc(OC(F)F)c1)CC2 297239862 ILXBOYVIHHQWLN-LBPRGKRZSA-N 306.312 3.166 10 10 DGCE Cc1ncsc1CCNCc1cc(Cl)c(F)cc1O 295141445 ZWIVOEQEGZJCLJ-UHFFFAOYSA-N 300.786 3.282 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc2ccccc2[nH]1 808095450 FZIFNRJXTGIBOY-UHFFFAOYSA-N 315.369 3.289 10 10 DGCE NCCCC[C@H](N)c1ccc(OCc2ccccc2)cc1O 575438922 NKVMLWGIWFZUAU-KRWDZBQOSA-N 300.402 3.100 10 10 DGCE COCC[C@H](COC)N[C@@H](C)c1ccc(N2CCCCC2)cc1 810257208 NEUPWFWMMJWOKW-FUHWJXTLSA-N 320.477 3.379 10 10 DGCE COC1CCN(c2ccc(CN3CC[C@H](C)[C@@H](F)C3)cc2)CC1 828736603 HHYFYXWCVWNEAY-KXBFYZLASA-N 320.452 3.482 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CC(C)(C)CC(F)F 907275000 UPADKDCQLIXQKN-JTQLQIEISA-N 315.360 3.217 10 10 DGCE O=C1[C@@H]2CCC[C@@H]2N1CN1CCCc2cc(OC(F)F)ccc21 840034626 DBECIDSPSSZXKV-HIFRSBDPSA-N 322.355 3.009 10 10 DGCE NCc1ccc2c(c1)CCCN2Cc1cnc(-c2ccccc2)[nH]1 843057646 GKQVUPAJUSGJII-UHFFFAOYSA-N 318.424 3.488 10 10 DGCE Cc1nocc1/C=C1/SC(=S)N(C(C2CC2)C2CC2)C1=O 841498747 UPIOHHYYTQAGAQ-WUXMJOGZSA-N 320.439 3.373 10 10 DGCE CN(C)c1cc(F)c(CNC2([C@@H]3CCCCO3)CC2)cc1F 923028226 NUJFRPNECHEGCS-INIZCTEOSA-N 310.388 3.222 10 10 DGCE CC(C)(C)OC(=O)N1CCC(F)(F)[C@H]1c1ccc(N)cc1O 1953061440 RXOPXWJOVFAYGO-GFCCVEGCSA-N 314.332 3.292 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H](F)C[C@@H]1COc1ccc(N)cc1 1953013069 QDSPFWXGPNXLQU-TZMCWYRMSA-N 324.396 3.385 10 10 DGCE CN(C)c1ccc(/C=C\CNC[C@@H]2CCN2C(C)(C)C)cc1 850341809 ATBVTELVDHCNJW-MJRGOJFPSA-N 301.478 3.228 10 10 DGCE O=[N+]([O-])c1ccc(O)c(CN[C@@H](c2ccccn2)C2CCC2)c1 858239710 VQHPPAOMKNBDFW-QGZVFWFLSA-N 313.357 3.326 10 10 DGCE COc1cc(C)cc(CN2CCC(N3CCCCC3)CC2)c1O 754720881 UVYOZDKQSWKSNP-UHFFFAOYSA-N 318.461 3.160 10 10 DGCE C[C@H](NC(=O)N[C@H](C1CC1)C(F)(F)F)c1ccccc1O 868617090 DSMWSNTWGUIEGI-QPUJVOFHSA-N 302.296 3.093 10 10 DGCE COc1cc(C)cc(CN2CC(Cc3cccs3)C2)c1O 895412415 WFQIXDHDMMEJIQ-UHFFFAOYSA-N 303.427 3.445 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)/C=C2/CC[C@H](C)C2)cc1 1130745448 WXSFWPKUNKTRNT-RIBQPWQFSA-N 316.445 3.336 10 10 DGCE COC1(CCNC(=O)c2cc3cc(O)c(O)cc3s2)CCC1 897850471 RUGDSTCMDWPSNH-UHFFFAOYSA-N 321.398 3.002 10 10 DGCE CO[C@H](C)[C@H](C)N[C@H](C)c1cc(Br)c(F)cc1O 786574834 GQQRLOJFGBESKX-DJLDLDEBSA-N 320.202 3.368 10 10 DGCE COc1ccc(N2CCCN(CCC(C)(C)OC)CC2)cc1 787182382 FXGJBCIJGZMCFO-UHFFFAOYSA-N 306.450 3.022 10 10 DGCE CC[C@@H]1[C@@H](NCc2ccccc2O)CCN1C(=O)OC(C)(C)C 704613957 FOYRSMVOZRFGSG-LSDHHAIUSA-N 320.433 3.270 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CC(C)(C)C(F)(F)F 797751148 RHKXSAPLKRSMNH-SECBINFHSA-N 319.323 3.124 10 10 DGCE Cc1onc(-c2cccs2)c1C(=O)NCc1ccccc1O 1150536155 KNVNWXOQVQBFHJ-UHFFFAOYSA-N 314.366 3.347 10 10 DGCE COc1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)c(F)c1 1171528605 MZWOOURBKRWQSP-UHFFFAOYSA-N 316.292 3.249 10 10 DGCE C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1c1ccc(N)cc1 1959572002 LLKXQRKJQWWIEQ-CHWSQXEVSA-N 305.422 3.008 10 10 DGCE CCN(Cc1ccc(N)cc1)C[C@@H](C)NC(=O)OC(C)(C)C 1959550496 ZUWZBWOTLXDKNR-CYBMUJFWSA-N 307.438 3.004 10 10 DGCE Cc1c(C(=O)NCc2c(O)cccc2F)cnn1C1CCCC1 1340178955 LJPOBIINPPVGJI-UHFFFAOYSA-N 317.364 3.081 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)C2(F)CCCCC2)cc1 1527594349 AGWZMTZURWPHIV-UHFFFAOYSA-N 322.424 3.262 10 10 DGCE C[C@H](C(=O)NCc1c(O)cccc1F)c1ccc(F)cc1F 1471976255 USWBHGVVZGNHFO-VIFPVBQESA-N 309.287 3.229 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2cnccc2c1 1556157736 IWIMRRFZLKMRSC-GFCCVEGCSA-N 322.364 3.007 10 10 DGCE Cc1cc(C(=O)Nn2cnnc2)c(C)n1-c1cccc(C(C)C)c1 1631626007 XPKALQIBNHGNKT-UHFFFAOYSA-N 323.400 3.193 10 10 DGCE O=C(NCc1cccc(Cl)c1O)[C@@H]1Cc2ccc(F)cc21 1647829948 AQLQHMWXBCSMNZ-CYBMUJFWSA-N 305.736 3.141 10 10 DGCE COCCCN(Cc1ccccc1)c1ccc(CN)c(F)c1 1931956522 BVTJIDVJHGNYGL-UHFFFAOYSA-N 302.393 3.328 10 10 DGCE CC(C)O[C@@H]1C[C@@H](NC(=O)N2Cc3cccc(O)c3C2)C1(C)C 1679868368 DFVUNXFJYWXEEE-HZPDHXFCSA-N 318.417 3.010 10 10 DGCE O=C(NCC[C@@H]1CC[C@H]2C[C@H]12)NCc1cccc(Cl)c1O 1676091125 BLHOXLSBWJFEPM-GMXVVIOVSA-N 308.809 3.281 10 10 DGCE COC[C@H](CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(C)C 1681551019 BOOJHGHZEXKCBE-ZBFHGGJFSA-N 321.465 3.031 10 10 DGCE CC(=O)NN1C(=O)/C(=C/c2ccc(C(C)C)cc2)SC1=S 12484681 JLWRLSPZJRCNQH-JYRVWZFOSA-N 320.439 3.062 10 10 DGCE C[C@H](NCCOC1CCCC1)c1ccc(N2CCOCC2)cc1 163241281 WENGSKWKHPWDCP-INIZCTEOSA-N 318.461 3.133 10 10 DGCE CC[C@H]1COCCN1c1ccc(CNC)cc1C(F)(F)F 163680529 WTBRBYMXZPTROO-LBPRGKRZSA-N 302.340 3.040 10 10 DGCE CCCN(CCC)c1ccc(CN2CCC[C@H](C(N)=O)C2)cc1 154989614 BUPMQMQYNUHVIM-KRWDZBQOSA-N 317.477 3.010 10 10 DGCE Cc1csc(C(=O)N(C)CCN=[N+]=[N-])c1Br 1939867044 KYEOPBVJQYZMBL-UHFFFAOYSA-N 303.185 3.201 10 10 DGCE CC[C@@H](N[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1O 1938283997 WZSCMUADXRDJIB-UMVBOHGHSA-N 320.433 3.489 10 10 DGCE Cc1ccc(O)c(CNCC(=O)Nc2nc(C(C)C)cs2)c1 1857876769 QFHAQEFKEGCCJG-UHFFFAOYSA-N 319.430 3.009 10 10 DGCE Cc1cc(N2CCCSC[C@H]2C(F)(F)F)ccc1CN 2143598047 KZSCKNVAYWOLDL-ZDUSSCGKSA-N 304.381 3.328 10 10 DGCE C[C@H]1CN(C(=O)OC(C)(C)C)CCCN1CCCCN=[N+]=[N-] 1962299377 MNVPODZBMGYBRA-ZDUSSCGKSA-N 311.430 3.408 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H]1CNCc1ccc(F)cc1O 1964557056 UXYKDQCFDGHEMO-AWEZNQCLSA-N 324.396 3.020 10 10 DGCE Cc1cccc(O)c1CN[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C 1976896473 OLJKQRHVVVQLGN-UKRRQHHQSA-N 320.433 3.188 10 10 DGCE C[C@@]1(NCc2c(O)cccc2F)CCN(Cc2ccccc2)C1 1976873406 MOUHBMFDQNXBEW-LJQANCHMSA-N 314.404 3.286 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]2CN(c3ccc(N)cc3)CC[C@H]21 1977967503 HDCRAPYVSDVGBN-CZUORRHYSA-N 317.433 3.105 10 10 DGCE Oc1ccc(Br)cc1CN[C@H]1C[C@@]12CC2(F)F 2004618283 FLKCNBXMTRQVDQ-WDEREUQCSA-N 304.134 3.042 10 10 DGCE Cc1cccc(O)c1CN[C@@H]1CC[C@@H]1CNC(=O)OC(C)(C)C 1986709266 KFNXIUMWPHFVMQ-UKRRQHHQSA-N 320.433 3.094 10 10 DGCE C[C@@H](F)[C@H]1CCCN1Cc1cc(Br)ccc1O 2010592278 VIZORDFXQLQXRW-BXKDBHETSA-N 302.187 3.477 10 10 DGCE CN(Cc1ccc(Br)cc1O)[C@H]1CCCOCC1 2028796409 COUZZYQYIJGDLO-ZDUSSCGKSA-N 314.223 3.156 10 10 DGCE [N-]=[N+]=NCCCN[C@H](C(=O)O)c1cc(Cl)c(Cl)s1 2037474929 MBNRBLCSAUYJLB-ZETCQYMHSA-N 309.178 3.471 10 10 DGCE CC[C@H]1C[C@H](N(C)Cc2cc(Br)ccc2O)CO1 688539200 YERONANLBPQMBA-STQMWFEESA-N 314.223 3.154 10 10 DGCE CO[C@@H]1CC[C@H]1N(C)c1ccc([C@H](C)O)c(Br)c1 724151593 SPZLWQAZJPZJBZ-CUOATXAZSA-N 314.223 3.116 10 10 DGCE C[C@@H]([C@H]1CCCCO1)N(C)c1cc(Cl)c(CN)cc1F 2177380465 DWIAQUUMDBEANT-ZUZCIYMTSA-N 300.805 3.332 10 10 DGCE CCc1cccc(CNC[C@]2(Br)CC2(F)F)c1O 2082488602 FUKGZWLKDPINSW-GFCCVEGCSA-N 320.177 3.217 10 10 DGCE CN(C)c1ccc([C@H](NN)c2ccccc2Br)cc1 2106850146 FISCROPAZNAWQP-HNNXBMFYSA-N 320.234 3.068 10 10 DGCE Cc1ccnc(CNCc2ccc(Br)cc2O)c1C 2088890715 XKPWBGSWOSCKSZ-UHFFFAOYSA-N 321.218 3.456 10 10 DGCE COc1cc(Cl)cc(CNc2cncc(Cl)n2)c1O 2090727992 NVILUNNPZQBWET-UHFFFAOYSA-N 300.145 3.110 10 10 DGCE COc1ncc(NCc2ccc(C)cc2O)cc1Br 2232190564 DVWHTURGFLBSOR-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE C[C@H](N)c1ccc(N2CCc3ncsc3CC2)c(Cl)c1 2287061143 NNNDSVUQUXLTFW-JTQLQIEISA-N 307.850 3.421 10 10 DGCE CCOc1ccc(C=C2C(=O)N(c3ccccn3)N=C2C)cc1 2332122491 XPUAULIEFZNGEK-UHFFFAOYSA-N 307.353 3.286 10 10 DGCE Cc1cccc(NC(=O)N2CC(N=[N+]=[N-])C2)c1Br 2327709208 XHJMXTWQFLCSDC-UHFFFAOYSA-N 310.155 3.284 10 10 DGCE Cc1ccc(CNC[C@H]2[C@H]3[C@H]4C[C@@H]2C[C@H]43)c(O)c1Br 2352675058 BSSUBEWFCDVEHT-ITGHMWBKSA-N 322.246 3.455 10 10 DGCE Oc1ccc(Cl)cc1CNc1ccc(-n2cccn2)nc1 37019860 AEWGHYHRCHNSNY-UHFFFAOYSA-N 300.749 3.238 10 10 DGCE Oc1ccc(CNCc2ccc(Br)cc2)c(O)c1 42238810 UYITYMBBFWKRGG-UHFFFAOYSA-N 308.175 3.150 10 10 DGCE COC(=O)[C@@]1(NC(C)C)CCC[C@H](Sc2nccs2)C1 93778660 XLXOISISKDTXGQ-SMDDNHRTSA-N 314.476 3.088 10 10 DGCE Cc1csc2c(NCCc3ccc(O)c(O)c3)ncnc12 189985175 FPWSDZSWKCTXQS-UHFFFAOYSA-N 301.371 3.066 10 10 DGCE CCN(c1ccc(CNC)c(Br)c1)[C@@H](C)COC 233485660 KXNNBNNCUKXLKB-NSHDSACASA-N 315.255 3.030 10 10 DGCE C[C@H]1CN(c2ccc([C@@H](C)N)c(Br)c2)C[C@H](C)O1 235223112 PVYHCRPVNPCIAE-GARJFASQSA-N 313.239 3.082 10 10 DGCE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NCc1ccccc1O 277922976 QCHNIMZGXFETEJ-DZGCQCFKSA-N 320.433 3.127 10 10 DGCE COc1ccc(CNCc2cc(Cl)cc(C)c2O)c(OC)n1 291048843 ZRDRWBWNVLDRDP-UHFFFAOYSA-N 322.792 3.056 10 10 DGCE Cn1cc(NCc2cccc(Cl)c2O)c(-c2ccccn2)n1 371801516 GZRFYBUULVMDIA-UHFFFAOYSA-N 314.776 3.453 10 10 DGCE C[C@@H](NCc1ccc(N(C)C)cc1)[C@@H](C)NC(=O)OC(C)(C)C 381816795 CTXOJIRFOLELQC-ZIAGYGMSSA-N 321.465 3.144 10 10 DGCE C[C@@H](CN(C)Cc1ccccc1)NCc1cccc(F)c1O 390792910 XSABZSJBMAIPQV-AWEZNQCLSA-N 302.393 3.141 10 10 DGCE C[C@@H](N)c1ccc(N2CCCOC[C@H]2C)cc1Br 398912280 WMTAJRHRXKTZNM-GHMZBOCLSA-N 313.239 3.084 10 10 DGCE Cc1ccc(O)c([C@@H](C)NC[C@H](n2cccn2)C(F)(F)F)c1 527941152 XPACMWZVYBNEMK-RISCZKNCSA-N 313.323 3.351 10 10 DGCE C[C@@H]1O[C@H](C)[C@@H](NCc2ccc(Br)cc2O)[C@@H]1C 529671032 XGPNYOWGKGHVCW-PUXPGTEJSA-N 314.223 3.056 10 10 DGCE CC(C)(CNCc1cc(Cl)cc(Cl)c1O)n1ccnc1 692551236 VARWUQJSMFEJEO-UHFFFAOYSA-N 314.216 3.420 10 10 DGCE CS[C@H]1CC[C@H]1NCc1c(O)cccc1Br 706824846 KNLQTKKAHFLJDG-PWSUYJOCSA-N 302.237 3.138 10 10 DGCE C[C@H](NCc1sncc1Br)c1ccccc1O 722818270 IWQYDSANQZFTGI-QMMMGPOBSA-N 313.220 3.462 10 10 DGCE CO[C@H](C)[C@H](C)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 786169143 QVHXPKSPUUHHNM-UONOGXRCSA-N 321.421 3.098 10 10 DGCE O=C(/C=C/[C@H]1CCCO1)NCc1ccc(N2CCCCC2)cc1 819183163 AJMUZNAJQXCTRK-DOJUMQAQSA-N 314.429 3.028 10 10 DGCE Cc1cc(Br)c(O)c(CN[C@@H]2CCOC2(C)C)c1 824625210 GYJVDMFPPUVCHI-GFCCVEGCSA-N 314.223 3.120 10 10 DGCE Cc1cc(O)c(CN[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)cc1C 824643913 LZYMVCFFVSJKSN-KGLIPLIRSA-N 322.449 3.400 10 10 DGCE CCn1nc(C)c(CNC/C=C\c2ccc(N(C)C)cc2)c1C 835038752 ZQELNTVSMHYMFY-FPLPWBNLSA-N 312.461 3.389 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@@H]2CCC[C@H](N(C)C)C2)cc1 835044127 WWKPLOHTMDHXRN-IIFCEKJISA-N 301.478 3.228 10 10 DGCE Cc1cc(C)cc(CN(C)C(=O)NCCc2ccc(N)cc2)c1 841959713 PHSDBSMPQNQHOD-UHFFFAOYSA-N 311.429 3.270 10 10 DGCE COc1ccc(F)cc1CN[C@H](C)c1cccc(OC)c1O 846165296 VBWYWFWMRWTRKH-LLVKDONJSA-N 305.349 3.399 10 10 DGCE C/C(=C\c1ccncc1)C(=O)NCCCSc1nccs1 847487995 PLAJSFMOLIYELQ-VAWYXSNFSA-N 319.455 3.240 10 10 DGCE COc1cccc([C@H](C)NCc2c(C3CCC3)cnn2C)c1O 850552424 WTHOJPAKRGQDBY-LBPRGKRZSA-N 315.417 3.253 10 10 DGCE CCCc1nsc(N[C@H]2CCN(c3ccc(OC)cc3)C2)n1 853760613 LGUVXBWBPVLLPW-LBPRGKRZSA-N 318.446 3.190 10 10 DGCE CC[C@@H](C)CCC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855223261 FBFUQCMCLLAIAX-CABCVRRESA-N 304.434 3.216 10 10 DGCE CCC(F)(F)C(C)(C)CNC(=O)NCCc1ccc(N)cc1 861639807 HKNGLEWCZOYUJX-UHFFFAOYSA-N 313.392 3.182 10 10 DGCE Cc1cc(O)c(CN2CCOc3ccc(N)cc3C2)c(Cl)c1 903944318 IDFLPVBBXRUINI-UHFFFAOYSA-N 318.804 3.331 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)[C@H]2CCC[C@H](F)C2)cc1 1118334213 VEVFKKGFVLGOKH-GJZGRUSLSA-N 322.424 3.118 10 10 DGCE O=C(NCc1c(O)cccc1F)c1c(F)ccc(F)c1Cl 1178413371 RLEWLYCDVHKBSE-UHFFFAOYSA-N 315.678 3.393 10 10 DGCE C[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)c1cccnc1 1290219903 PJNKJKOKAASWDN-VIFPVBQESA-N 314.366 3.199 10 10 DGCE CC(=O)Nc1ccc(Cl)cc1NC(=O)c1cc(O)cs1 1442376930 KITXDSMHQLJCJN-UHFFFAOYSA-N 310.762 3.318 10 10 DGCE C[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)c1ccccn1 1540296967 COZOOFNTFJCHQY-VIFPVBQESA-N 314.366 3.199 10 10 DGCE Cc1ccc2c(c1)CCN(C(=O)c1ccc(N=NC(N)=O)cc1)C2 1570489747 WJJLGTVEUPNVNW-UHFFFAOYSA-N 322.368 3.356 10 10 DGCE COc1ccc(CN[C@H]2CCC[C@H]2Cc2cc(C)no2)c(O)c1 1615852690 VEWZAKMUAZDKIE-GUYCJALGSA-N 316.401 3.198 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)C(C)(C)C(C)C)cc1 1632049308 KPZNDADMLZWMMW-UHFFFAOYSA-N 306.450 3.272 10 10 DGCE c1ccc2c(c1)C[C@@H](CNCc1ccc3c(c1)CCCO3)CO2 1656673028 RNXAGTIGWFJVKG-INIZCTEOSA-N 309.409 3.353 10 10 DGCE CC[C@@]1(F)CCN(c2cc(Br)c(CN)cc2F)C1 1925574161 DVAOGJJRWIOYKD-CYBMUJFWSA-N 319.193 3.375 10 10 DGCE CN(Cc1cc(Br)cc(F)c1O)CC1CC(F)C1 1967839923 BSBKWNKSILDDNU-UHFFFAOYSA-N 320.177 3.474 10 10 DGCE CCN(CC)c1ccc([C@H](O)[C@H](C)NC(=O)OC(C)(C)C)cc1 1977935547 PFHANKZQTFDIKC-XJKSGUPXSA-N 322.449 3.479 10 10 DGCE C[C@H](NC[C@@H](C)C(=O)OCc1ccccc1)c1ccccc1O 1989688070 XUDZWEQLAGIIKW-CABCVRRESA-N 313.397 3.422 10 10 DGCE CC[C@H](CN(C)Cc1c(O)cccc1Br)OC 2014868260 WVNHZRYFCOGJIO-SNVBAGLBSA-N 302.212 3.012 10 10 DGCE CC1=C(Br)CN(c2ccc([C@H](C)N)c(O)c2)CC1 2034762779 AUJNWGKEKCBWEH-JTQLQIEISA-N 311.223 3.291 10 10 DGCE Cc1ccc(O)c([C@H](C)n2nc(C3CCC3)cc2C(=O)O)c1 2069856763 VZCMXERDPUGNDV-NSHDSACASA-N 300.358 3.472 10 10 DGCE CCOC(=O)c1cc(C2CC2)nn1[C@H](C)c1c(O)cccc1F 2069925214 ILQZYRRYPKGFHI-SNVBAGLBSA-N 318.348 3.391 10 10 DGCE Cc1cccc(O)c1Cn1nc(CC(C)C)cc1CN(C)C 2070178093 JYGMFZQJYNVZPG-UHFFFAOYSA-N 301.434 3.206 10 10 DGCE COc1cccc(Cn2nc(C(C)C)c(C(F)F)c2N)c1O 2079830884 ADNSUQRTMVZEHO-UHFFFAOYSA-N 311.332 3.289 10 10 DGCE Cc1ccc(CN(C)c2ccc(CO)c(Br)c2)cn1 2110719744 GRNZFDFNFRSWSB-UHFFFAOYSA-N 321.218 3.281 10 10 DGCE Cc1cc(C)nc(CNCc2cc(Br)ccc2O)c1 2137000201 UUJAZFRYMZMUIM-UHFFFAOYSA-N 321.218 3.456 10 10 DGCE CN[C@H](c1ccccc1O)[C@H](O)c1c(Cl)cncc1Cl 2149795288 XSQGUCGIXJQUCD-ZIAGYGMSSA-N 313.184 3.088 10 10 DGCE CN(Cc1ccc(N)cc1)Cc1cc(C(F)(F)F)ns1 2155004870 HEQDVNIIMZXIRD-UHFFFAOYSA-N 301.337 3.376 10 10 DGCE CN[C@H](c1ccc2c(c1)CCCN2C)[C@@H]1CSCCS1 2163096276 HRQARQOJWWLPOZ-JKSUJKDBSA-N 308.516 3.178 10 10 DGCE COC1(CF)CN(c2ccc(CNC(C)C)c(Cl)c2)C1 2168869379 DRMDNGMQOLNBFO-UHFFFAOYSA-N 300.805 3.013 10 10 DGCE CN[C@H](C)c1ccc(N(C)C[C@H]2OCC[C@@H]2F)c(Cl)c1 2179110001 IRDITRKPKPNIPQ-RIEGTJTDSA-N 300.805 3.184 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@]1(O)C[C@H]2CCC[C@H]21 2197536406 IZEAWXWFAAUCSZ-DDHOLCJHSA-N 316.228 3.340 10 10 DGCE Cc1ccnc(Br)c1NCc1ccc(O)c(O)c1 2219985083 ZZUDUXMQQVFBEZ-UHFFFAOYSA-N 309.163 3.176 10 10 DGCE CN(c1cc(Br)c(CN)cc1F)C1C[C@@H]2C[C@H]2C1 2222757333 URDSWCHOBVNYAO-IUCAKERBSA-N 313.214 3.282 10 10 DGCE Cc1cc(O)cc(C)c1NS(=O)(=O)[C@H]1CCCC[C@@H]1F 2239721062 BKSWDQXJUCIONW-STQMWFEESA-N 301.383 3.031 10 10 DGCE CCC(CC)ONCc1c(Br)ccc(OC)c1O 2259215288 ODFXHGZMHRVDFU-UHFFFAOYSA-N 318.211 3.373 10 10 DGCE CCNCc1ccc(N2CC(P(C)(C)=O)C2)c(Cl)c1 2270654754 ANDFLWXUGRZPLJ-UHFFFAOYSA-N 300.770 3.261 10 10 DGCE Oc1c(Br)cccc1CN1CC[C@](F)(C(F)F)C1 2315877509 IMEKHSNYWXOWKA-GFCCVEGCSA-N 324.140 3.334 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)Cc2ccccc2)c1 112115274 VQOPVUWWIQNAGJ-KGLIPLIRSA-N 313.397 3.457 10 10 DGCE COc1ccc(O)c([C@@H](C)NC[C@H](O)c2cc(F)ccc2F)c1 305780128 SPDOINAQXPFQRX-QGHHPUGFSA-N 323.339 3.063 10 10 DGCE Nc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 36283875 NFJXVFFOMDGQBS-UHFFFAOYSA-N 316.304 3.088 10 10 DGCE Cc1sc2ncnc(NCc3cc(N)ccc3O)c2c1C 37671328 RBZCYDIKQWGIQK-UHFFFAOYSA-N 300.387 3.208 10 10 DGCE COc1ccc(O)c(CN2CCCC[C@@H]2c2cccn2C)c1 180638367 KURJHDXNHVEZOG-QGZVFWFLSA-N 300.402 3.467 10 10 DGCE CC(C)C[C@H](C)S(=O)(=O)NCc1ccc(N2CCCC2)cc1 74367948 ZMPXWGBITBTEBU-HNNXBMFYSA-N 324.490 3.141 10 10 DGCE CN(Cc1ccccc1O)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 315344624 XPLCHDMQCGSGFD-UHFFFAOYSA-N 320.732 3.226 10 10 DGCE C[C@H](N[C@@H](C)c1ccc(F)cc1O)c1ccc2c(c1)CC(=O)N2 185107806 FUSNEALYFTYDTP-QWRGUYRKSA-N 314.360 3.438 10 10 DGCE C[C@H](N[C@@H](C)c1nnc2n1CCCC2)c1cc(Cl)ccc1O 185585149 ILQHPGRIMHSUNH-QWRGUYRKSA-N 320.824 3.385 10 10 DGCE COc1ccc(N2CCN(Cc3cccnc3Cl)CC2)cc1 195524206 DDNZAGICCPYFRD-UHFFFAOYSA-N 317.820 3.066 10 10 DGCE CC[C@@H](c1cc(Br)ccc1O)N(CC)CC(=O)O 86774968 YAWAIYNUWNMPMZ-NSHDSACASA-N 316.195 3.012 10 10 DGCE COc1cccc(C(=O)NCc2ccc(N(C)C)cc2C)c1F 90419022 VXZZPWTTZVJYRW-UHFFFAOYSA-N 316.376 3.139 10 10 DGCE Cc1cccc(CN2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1O 245867603 QQMLAXWETUJOLO-MAUKXSAKSA-N 300.446 3.149 10 10 DGCE CC(=O)NC1CCC(N[C@H](C)c2ccc(C)c(C)c2O)CC1 273598729 RMTLYTGIJPSWSB-IUDNXUCKSA-N 304.434 3.107 10 10 DGCE Cc1noc([C@H]2CCCN2Cc2cc(Cl)c(F)cc2O)n1 293912877 LWMAHAAKWDFTNN-GFCCVEGCSA-N 311.744 3.213 10 10 DGCE CC[C@@]1(CO)CCCN(Cc2cc(Cl)c(F)cc2O)C1 294847135 ZOJIDPHQUWAQSO-OAHLLOKOSA-N 301.789 3.169 10 10 DGCE COc1ccc(N2CCN(C(=O)[C@H]3CCCC[C@H]3C)CC2)cc1 819003192 AOXODRTXTLSBSZ-QAPCUYQASA-N 316.445 3.170 10 10 DGCE C[C@H](COc1c(F)cccc1F)NCc1cc(F)ccc1O 827099021 OTKVRPYTEZRLFW-SNVBAGLBSA-N 311.303 3.367 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)[C@@H](C)[C@H]1CCCO1 908044361 AWKFVQRVBHVIDV-WMLDXEAASA-N 305.418 3.336 10 10 DGCE COc1cccc(CNC(=S)Nc2ccc3c(c2)CCC3)n1 748044589 HKRMXBRKXVQIGK-UHFFFAOYSA-N 313.426 3.066 10 10 DGCE COc1ccc(CNC(=O)C2CC3(CCCCC3)C2)c(O)c1 846951083 VBYNCMRVJQMDLP-UHFFFAOYSA-N 303.402 3.378 10 10 DGCE C[C@@H](NCc1cccnc1N(C)C)c1ccc(Cl)cc1O 841743604 BGFPOXCFGUYZMR-LLVKDONJSA-N 305.809 3.357 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCC(c3ccncn3)CC2)cc1 840953195 IMXRMRRITDQPTC-ONEGZZNKSA-N 322.456 3.435 10 10 DGCE Cn1c(C(=O)NCc2ccccc2O)ccc1-c1ccccc1 743326653 FUEKRICMYLTAGZ-UHFFFAOYSA-N 306.365 3.328 10 10 DGCE COc1cc(CN2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c(O)cc1C 840113462 BKCWSNAANRMTDV-BBWFWOEESA-N 319.445 3.225 10 10 DGCE CCc1csc(N[C@H]2CCN(c3ccc(OC)cc3)C2)n1 853758618 IKDSMUAFNKUHIO-ZDUSSCGKSA-N 303.431 3.405 10 10 DGCE C[C@@H](N[C@H]1C[C@@](CN)(c2ccccc2)C1)c1cc(F)ccc1O 925886989 PAKCTARGHJVIJM-NRXGSXMXSA-N 314.404 3.241 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NCc1ccnc(F)c1 858179018 DTKDPEQOPMTHLA-CQSZACIVSA-N 301.409 3.316 10 10 DGCE CC/C=C(/F)C(=O)NCc1ccc(N2CCSCC2)cc1 864919242 SGSXTVNMALTLAV-CRKCGEKBSA-N 308.422 3.119 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCCC[C@H]2N)cc1 1118287436 ZLMAPVQOIUNTHB-QZTJIDSGSA-N 317.477 3.009 10 10 DGCE COc1c([N+](=O)[O-])ccc(CNC/C=C/c2ccccc2)c1O 775016788 WRPZUUUOPDKJOG-VMPITWQZSA-N 314.341 3.112 10 10 DGCE O=C(c1cc2cc(O)c(O)cc2s1)N1[C@H]2CCC[C@H]1CC2 896893859 SQZYXXKXJJYMKG-QWRGUYRKSA-N 303.383 3.470 10 10 DGCE O=C(c1cc2cc(O)c(O)cc2s1)N1CCC(F)(F)CC1 897627724 RYUIURPNISKOJM-UHFFFAOYSA-N 313.325 3.184 10 10 DGCE c1cc2c(cc1CN[C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)CCO2 788983651 CVRDYFDQLDRTOX-KZNAEPCWSA-N 301.430 3.306 10 10 DGCE CCc1oc2ccccc2c1C(=O)NCc1ccc(O)cc1O 1142533196 GCIODDJOHCJLNA-UHFFFAOYSA-N 311.337 3.336 10 10 DGCE CN(C)c1ccc([C@@H](CN)N(C(=O)OC(C)(C)C)C2CC2)cc1 698320652 WUIGIXAGKCRZTH-MRXNPFEDSA-N 319.449 3.152 10 10 DGCE Cc1nnc(-c2ccccc2C(=O)N[C@H](C)c2ccccc2O)o1 1151886082 UJMGBFARLWNQSG-LLVKDONJSA-N 323.352 3.242 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Nc1c(N)cccc1F 1959373693 MBSRYAXFEBGCEB-ZWNOBZJWSA-N 309.385 3.075 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1cccc(CC)c1 1449115141 BUSQUWQEHPXZON-UHFFFAOYSA-N 318.413 3.299 10 10 DGCE CCCOC(=O)c1ccc(NC(=O)c2cc(O)cs2)cc1 1290201319 NNKYNUNFVIGMBO-UHFFFAOYSA-N 305.355 3.273 10 10 DGCE CCCC[C@@H](O)CCC(=O)N(CCC)Cc1ccccc1O 1465846575 WBHRXWHFTSRFSJ-MRXNPFEDSA-N 307.434 3.462 10 10 DGCE COc1cc(C)c(NC(=O)Cc2ccc(O)c(O)c2)c(C)c1C 1627072357 YAEGBNDPYNPNBU-UHFFFAOYSA-N 315.369 3.213 10 10 DGCE COc1ccc2cc(C(=O)NCc3c(O)cccc3O)ccc2c1 1558534712 XARPTNXPHGXWHD-UHFFFAOYSA-N 323.348 3.190 10 10 DGCE COc1ccc(N(C)CCN(C)C[C@@H]2C[C@H](C)O[C@H](C)C2)cc1 1559966675 HYFAQTUETGAQGU-FVQHAEBGSA-N 320.477 3.267 10 10 DGCE CCN(C)c1ccc(CN(C)Cc2cc(OC)ns2)cc1 1560174231 XQJMUOCKMHETBY-UHFFFAOYSA-N 305.447 3.240 10 10 DGCE CC[C@@H](C)C(=O)N[C@H](CNCc1ccc(OC)c(C)c1)C1CC1 1733165592 USKPTJXOQSQXLF-CXAGYDPISA-N 318.461 3.034 10 10 DGCE CCN[C@@H](c1ccccc1O)[C@@H](CC)NC(=O)OC(C)(C)C 1928477519 VVNNBYNBRVEHBQ-HIFRSBDPSA-N 308.422 3.346 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)c1scnc1C(F)F 1640924075 GMLQPPHGNSGBHU-UHFFFAOYSA-N 318.732 3.370 10 10 DGCE COc1cccc([C@@H](C)C(=O)NCc2cccc(Cl)c2O)c1 1640402609 WGJKFDUYCIUFCM-LLVKDONJSA-N 319.788 3.474 10 10 DGCE O=C(NCc1cccc(Cl)c1O)c1ccc(Cl)nc1F 1640405250 OAFJGCVJOQSCLY-UHFFFAOYSA-N 315.131 3.163 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)NCC[C@H](C)N(C)C)cc1 1584189517 DXDXWHURRFDSAW-AWEZNQCLSA-N 313.445 3.164 10 10 DGCE COc1ccc(N2CCN(C[C@@H]3CC[C@@H]4C[C@H]4C3)CC2)cc1F 1653749223 GWWRUQHCANYGPH-BZUAXINKSA-N 318.436 3.393 10 10 DGCE C[C@H]1SCCS[C@H]1c1noc(CCc2ccc(N)cc2)n1 161914830 PATZNHHUWIHPNB-QMTHXVAHSA-N 321.471 3.347 10 10 DGCE COCCNCc1ccc(N(C)C(C)C)c(C(F)(F)F)c1 163658781 UOUYQEAQJLDUOZ-UHFFFAOYSA-N 304.356 3.286 10 10 DGCE OC[C@](CCSc1nccs1)(NC1CC1)c1ccccc1 168455735 JYZBJOLSZPTSQK-INIZCTEOSA-N 320.483 3.265 10 10 DGCE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2[C@H](N)c1ccccc1O 1936967275 GAGCPRWFPAORMO-AOLWHUPESA-N 318.417 3.180 10 10 DGCE C[C@@H](c1ccccc1O)N(C)c1ncc(N)cc1Br 1877518886 ZFRBKCHVZYQWBG-VIFPVBQESA-N 322.206 3.329 10 10 DGCE CC(C)(C)OC(=O)N[C@@]12CCCC[C@@H]1CN(CCN=[N+]=[N-])C2 1962288597 YUVZDVLVSPQIQF-IUODEOHRSA-N 309.414 3.066 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@]2(CCCN(CCN=[N+]=[N-])C2)C1 1962287935 OVRPFURVPLJCIC-HNNXBMFYSA-N 309.414 3.020 10 10 DGCE CCN(CC)c1ccc([C@H](N)CN(C)C(=O)OC(C)(C)C)cc1 1977941507 NFNYFMHYGYKMCW-MRXNPFEDSA-N 321.465 3.400 10 10 DGCE CN(C)c1ccc([C@@]2(O)CCC[C@@H]2NC(=O)OC(C)(C)C)cc1 1977959503 SBNHVMABBFLFQJ-YJBOKZPZSA-N 320.433 3.017 10 10 DGCE CC(C)(C)OC(=O)N[C@@H](CNCc1ccc(N)cc1)C1CCC1 1993808245 DMUOYEFEQDJAJN-INIZCTEOSA-N 319.449 3.052 10 10 DGCE CN(c1ccc(CO)cc1Br)[C@H]1CCC[C@@H]1F 2006782871 YYWRYTAXWBHUDX-AAEUAGOBSA-N 302.187 3.268 10 10 DGCE CCCN(CCCO)c1ccc([C@@H](C)N)cc1Br 2032098829 CUFTWRVEQXCKOL-LLVKDONJSA-N 315.255 3.068 10 10 DGCE FCC1CN(c2ccc(CNC3CC3)cc2Br)C1 2041177012 UUTWQLVLJPHRMG-UHFFFAOYSA-N 313.214 3.107 10 10 DGCE CCCN(Cc1ccccc1)S(=O)(=O)Cc1ccc(N)cc1 309636149 MOSVGMWAKCBEKV-UHFFFAOYSA-N 318.442 3.011 10 10 DGCE Cc1cccc([C@@H](C)n2ncc(C(=O)OC(C)(C)C)c2O)c1O 2070497974 FAYFWERWHNZEIK-LLVKDONJSA-N 318.373 3.167 10 10 DGCE CC[C@@]12C[C@H]1CN(c1cc(Br)c(CN)cc1F)C2 2048605887 QETBNZLUQSGASC-HZMBPMFUSA-N 313.214 3.283 10 10 DGCE BrC1(CNCc2ccc3c(c2)CCCO3)CCC1 2049206872 KURIZFYKZQRITQ-UHFFFAOYSA-N 310.235 3.419 10 10 DGCE C[C@H](O)c1cc(F)c(N(CC(F)F)CC(F)F)c(F)c1 2194513077 AHRXCVJTWXFEAL-LURJTMIESA-N 301.230 3.355 10 10 DGCE CO[C@@H]1CCC[C@H](N(C)c2cc(Cl)c(CN)cc2F)C1 2187274431 ZFOJWBIRKMEIMZ-NWDGAFQWSA-N 300.805 3.332 10 10 DGCE CC1=C(Br)CCN(c2ccc([C@@H](C)O)c(O)c2)C1 2077212081 ISKSVYQXNCNJHZ-SNVBAGLBSA-N 312.207 3.325 10 10 DGCE CCn1cccc1CN(C)c1ccc(CO)c(Br)c1 2114548360 YSDDOHHWXYNNSC-UHFFFAOYSA-N 323.234 3.399 10 10 DGCE CCNCc1ccc(N(C)C[C@@]2(F)CCOC2)c(Cl)c1 2238286258 ALSBHLXXWSWQSG-HNNXBMFYSA-N 300.805 3.014 10 10 DGCE Cc1cc(S(=O)(=O)Nc2c(C)cc(O)cc2C)c(C)s1 2239740622 DSILNRZSVPZHEW-UHFFFAOYSA-N 311.428 3.488 10 10 DGCE CN(CCN=[N+]=[N-])C(=O)c1cccc(Cl)c1Br 2248078668 KUXCBEPJQRXRMA-UHFFFAOYSA-N 317.574 3.485 10 10 DGCE CCc1nsc(CN(C)c2ccc([C@@H](C)O)c(Cl)c2)n1 2288827471 YJRFIGHDEIIAFY-SECBINFHSA-N 311.838 3.444 10 10 DGCE O=C1C(=Cc2ccsc2)SC(=S)N1C[C@H]1CCCO1 2323745295 RYLCECMIRKOMOA-SNVBAGLBSA-N 311.453 3.128 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@@H]3C[C@H]2[C@@H]2C[C@H]32)c(Br)c1 2308716388 QBRVUQDYADKYDW-YCGCYHNXSA-N 308.219 3.347 10 10 DGCE CCOC(=O)CCN(C)N=Nc1ccc(Cl)c([N+](=O)[O-])c1 2330199768 APZQLDHERUCKEX-UHFFFAOYSA-N 314.729 3.132 10 10 DGCE CCC=C(C)C(=O)NCc1ccc(C)c(Br)c1O 2327587180 VVDKDVWDEUTQKL-UHFFFAOYSA-N 312.207 3.436 10 10 DGCE Cc1ccc(CN2CC[C@H]3C[C@@]3(F)C2)c(O)c1Br 2327603272 OUKXXNQVFCGTOT-SMDDNHRTSA-N 314.198 3.397 10 10 DGCE CC(C)c1nnc(NC(=O)/C=C/c2ccc(N(C)C)cc2)s1 21669669 ANZXZUFAZFVFPZ-JXMROGBWSA-N 316.430 3.379 10 10 DGCE CC(=O)C(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1Cl 1951480310 OSMZSVCOPCNALP-GFCCVEGCSA-N 311.765 3.064 10 10 DGCE CCCN(c1ccc(N)cc1)S(=O)(=O)c1ccc(CC)s1 63115466 OMDSUNFQEINWTI-UHFFFAOYSA-N 324.471 3.498 10 10 DGCE Cc1cccc2c1OCC[C@H]2NCc1cc2c(cc1O)OCO2 188872075 SMSYRPPJRJGMJN-CQSZACIVSA-N 313.353 3.043 10 10 DGCE CC[C@H](NCCCNC(=O)OC(C)(C)C)c1ccccc1O 155647929 CWLJGQPKWIWQPC-AWEZNQCLSA-N 308.422 3.348 10 10 DGCE CN(c1ccc(CNC2CC2)cc1Cl)[C@@H]1CCCC[C@@H]1O 132047817 MBQNBRACQJHRQQ-SJORKVTESA-N 308.853 3.332 10 10 DGCE CNCc1ccc(OC)c(C[S@@](=O)c2cccc(C)c2)c1 84049279 UJQJYPMKRYGXLC-NRFANRHFSA-N 303.427 3.031 10 10 DGCE Cc1ccc(O)c([C@H](C)NC[C@H](CC(C)C)N2CCOCC2)c1 192744557 FVFNUJGNUJJNNS-IRXDYDNUSA-N 320.477 3.098 10 10 DGCE Cc1ccc(O)c([C@@H](C)NC[C@@H](CC(C)C)N2CCOCC2)c1 192744512 FVFNUJGNUJJNNS-IAGOWNOFSA-N 320.477 3.098 10 10 DGCE CC1(C)C[C@H](NC(=O)c2cccc(O)c2O)c2ccccc2O1 193134060 NMICAQCPIUOEKT-ZDUSSCGKSA-N 313.353 3.130 10 10 DGCE CNCc1ccc(N(C)[C@H]2CCN(Cc3ccccc3)C2)cc1 381866833 KINTZPXZIOZEBI-FQEVSTJZSA-N 309.457 3.117 10 10 DGCE Cc1ccc2[nH]nc(C(=O)N(C)Cc3ccc(N(C)C)cc3)c2c1 97255553 ASAUPRBUDFBYNU-UHFFFAOYSA-N 322.412 3.210 10 10 DGCE C[C@@]1(C(=O)NCCc2ccc(N)cc2)CCCc2ccccc21 237582044 MCYFZSHKKLGTIP-HXUWFJFHSA-N 308.425 3.222 10 10 DGCE Oc1c(F)cc(Cl)cc1CNC[C@@H]1CCN1C1CCCC1 529667944 BYRFPQVBPORMNI-AWEZNQCLSA-N 312.816 3.291 10 10 DGCE CC1=C(C(=O)NCc2cc(Br)ccc2O)CCC1 804736471 VDWZBPGEJPSWJC-UHFFFAOYSA-N 310.191 3.271 10 10 DGCE CC(C)[C@H]1C[C@H]1C(=O)NCc1cc(Br)ccc1O 804738642 YFDKQPUXFYTRNL-VXGBXAGGSA-N 312.207 3.063 10 10 DGCE Oc1c(Cl)cccc1CN1C[C@@]23CCCC[C@]2(COC3)C1 827849364 FKCFAQSSGGIUOV-IAGOWNOFSA-N 307.821 3.438 10 10 DGCE COCCN1C(=O)/C(=C/c2ccc([C@@H]3C[C@H]3C)o2)SC1=S 824411935 GWUFRYMJIBXDTF-ANYQKZHNSA-N 323.439 3.251 10 10 DGCE COCC(C)(C)CC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C 839922566 VKYNFASVUDKVPA-OAHLLOKOSA-N 320.477 3.171 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H](N3CCC3)C2)cc1 912925569 MZBFHXWBKWWCSB-LJQANCHMSA-N 323.440 3.014 10 10 DGCE COc1cc(CN2CCOC[C@H]2CC2CCC2)c(O)cc1C 840093746 JWGSBOHEFODGTC-MRXNPFEDSA-N 305.418 3.100 10 10 DGCE CCc1cccc(CNCCCc2c(C)nn(C)c2C)c1O 848900549 NQIXRNXKPDFOJU-UHFFFAOYSA-N 301.434 3.027 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H](F)[C@H]1COc1ccc(N)cc1 1953062119 CAELJGPXZKXTGS-HUUCEWRRSA-N 324.396 3.385 10 10 DGCE CC(C)[C@H](C(=O)Nc1ccc(N)cc1)N(C)C1CCCCC1 62461175 OWFFFCLNZNUAOC-QGZVFWFLSA-N 303.450 3.496 10 10 DGCE COC(=O)c1ccc(O)c([C@H](C)NCC2(C)C[C@@H]3C[C@H]3C2)c1 858536441 HTKJUGKNQZEIBH-UBHSHLNASA-N 303.402 3.266 10 10 DGCE CC(C)[C@H](NC/C=C/c1ccc(N(C)C)cc1)c1cnn(C)c1 922894299 OXGZPTIJRADJQX-GHOSXJJBSA-N 312.461 3.486 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)c1ccncc1 865027110 HFNHHWQLSZHRPY-HNNXBMFYSA-N 311.429 3.300 10 10 DGCE CCOc1ccc(CN2CC[C@@H](C)[C@@H](n3ccnc3)C2)c(O)c1 770319677 AMDIVHWPQDWJTC-PBHICJAKSA-N 315.417 3.071 10 10 DGCE CC(C)OCC(C)(C)NC(=O)c1cc2cc(O)c(O)cc2s1 897988710 WHHCOGMAEWINDK-UHFFFAOYSA-N 323.414 3.246 10 10 DGCE C[C@@H](N)c1ccc(N2CCC[C@H](F)C2)cc1Br 689389662 XHQYYRKRVLJAFK-ZJUUUORDSA-N 301.203 3.407 10 10 DGCE CCCO[C@H]1CCN(Cc2c(O)cccc2Br)C1 707142183 IFUNFVDOOGOCBE-NSHDSACASA-N 314.223 3.156 10 10 DGCE Nc1ccc(CCC(=O)c2c(F)cncc2Br)cc1 686937881 YHDJJSDZIMZLDT-UHFFFAOYSA-N 323.165 3.381 10 10 DGCE COC(=O)c1cnc(Sc2ccc(F)cc2[N+](=O)[O-])s1 1163384155 WNRFIZCJWCJWAK-UHFFFAOYSA-N 314.319 3.128 10 10 DGCE C=C/C(C)=C\CC(=O)N(C)CCNCc1ccc(OC)c(C)c1 1317619682 GTMJCQIPGHIRGT-CHHVJCJISA-N 316.445 3.074 10 10 DGCE CN(C)c1ccc([C@](C)(N)c2ncccc2Br)cc1 2120098582 XHXYJAASRKHWSI-HNNXBMFYSA-N 320.234 3.132 10 10 DGCE C[C@@]1(C(F)F)CN(Cc2cc(Cl)cc(F)c2O)CCO1 1330915680 FKXRBUSSZKMCSV-ZDUSSCGKSA-N 309.715 3.041 10 10 DGCE CCN(Cc1c(C)nn(C)c1Br)c1ccc(N)cc1 2129305229 DRLIYEJPWLQNNT-UHFFFAOYSA-N 323.238 3.100 10 10 DGCE CCC1(CC)[C@@H](NCc2cc(F)cc(C(C)=O)c2O)C[C@@H]1OC 1194090024 CRZGKKDMVZPFOB-HOTGVXAUSA-N 323.408 3.417 10 10 DGCE CCC(C)(CC)C(=O)NC[C@@H](C)NCc1ccc(OC)c(C)c1 1266995143 CGMNXCHTBZEZGA-OAHLLOKOSA-N 320.477 3.424 10 10 DGCE COC[C@H]1CC[C@@H](NCc2c(O)cccc2Br)C1 1918623429 CSTPDZLEACHESD-WDEREUQCSA-N 314.223 3.059 10 10 DGCE c1cc2c(cc1CNC[C@H]1COC3(CCCCC3)O1)CCCO2 1461376575 IZWZPYZWEQJBGL-KRWDZBQOSA-N 317.429 3.177 10 10 DGCE CCC/C=C\[C@@H](O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C 1544884436 FTMMRKLCKLTSRE-CNZFZVQHSA-N 318.461 3.207 10 10 DGCE O=Cc1cc(C(=O)Nc2cccc(N3CCCC3)c2)ccc1F 1543239203 YRMRQGIOQOGRJE-UHFFFAOYSA-N 312.344 3.491 10 10 DGCE O=C(NCc1ccc(O)c(O)c1)c1cccc2c1CCCCC2 1545639643 XQPTXZNWTFWURI-UHFFFAOYSA-N 311.381 3.297 10 10 DGCE Oc1cc(Cl)ccc1CNCc1ncoc1C(F)(F)F 1924990742 SKFVSSNWAACYRT-UHFFFAOYSA-N 306.671 3.342 10 10 DGCE O=C(NCc1c(O)cccc1O)c1ccc(-c2ccccc2)o1 1635846959 DTBCPMPAFFXZGE-UHFFFAOYSA-N 309.321 3.288 10 10 DGCE CN[C@H](c1ccccc1O)C1(N(C)C(=O)OC(C)(C)C)CC1 1928466922 GIYARXRAZGPBSQ-CQSZACIVSA-N 306.406 3.052 10 10 DGCE C[C@@H](NC(=O)COC/C=C\c1ccccc1)c1ccccc1O 1648889800 MTYBWCIBFXAIPZ-YYRKOSNBSA-N 311.381 3.299 10 10 DGCE CCc1nc(NCc2c(O)cccc2O)c2ccsc2n1 1652266796 AZFGSDDIFTVTKX-UHFFFAOYSA-N 301.371 3.277 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1c(N)ccc(F)c1C 1588184038 RVTDRIIOBPCUES-UHFFFAOYSA-N 316.376 3.474 10 10 DGCE COc1ccc(CN[C@H](C)CNC(=O)CCC2(C)CC2)cc1C 1662377231 FYDRKSUXKAEYGA-OAHLLOKOSA-N 318.461 3.178 10 10 DGCE Cc1ccc(SCC(=O)NCc2c(O)cccc2O)c(C)c1 1597569833 UNWWUUBSAYKHDY-UHFFFAOYSA-N 317.410 3.123 10 10 DGCE CCCCN(C[C@@H](N)c1ccccc1O)C(=O)OC(C)(C)C 1931549841 NDBDIUCUSHGUFA-CQSZACIVSA-N 308.422 3.429 10 10 DGCE C[C@@H]1CC[C@@H](Nc2ccc(N)cc2)CN1C(=O)OC(C)(C)C 1959359586 MPSYZQCGDNTXQT-IUODEOHRSA-N 305.422 3.469 10 10 DGCE CSCC[C@@H](C)N(C)CCCC(=O)Nc1ccc(N)cc1 161108084 DMMUPOATZKOJGJ-CYBMUJFWSA-N 309.479 3.061 10 10 DGCE CCc1ncc2c(n1)CN(Cc1cc3c(cc1O)CCCC3)CC2 160222855 ILQBULHASRUMBV-UHFFFAOYSA-N 323.440 3.182 10 10 DGCE CCN(CC(F)(F)F)c1ccc(CNCCOC)cc1Cl 164030556 SUCWDQKHJBXDFU-UHFFFAOYSA-N 324.774 3.465 10 10 DGCE Cc1ccc(C)n1[C@@H](CC(=O)N1CC(F)C1)c1ccc(F)cc1 1851372536 HCMLCCQXPJSNFL-KRWDZBQOSA-N 318.367 3.404 10 10 DGCE Oc1ccc(F)cc1N=c1[nH]c2ccccc2nc1N1CCCC1 1859510157 XVKHHJJHICYMBE-UHFFFAOYSA-N 324.359 3.240 10 10 DGCE CCCC1=NN(C)C(=O)/C1=C/c1ccc(Br)cc1 1865680062 VIVWDKYEZDGYJS-FMIVXFBMSA-N 307.191 3.461 10 10 DGCE CCN[C@H](c1ccccc1O)[C@H]1CCCN1C(=O)OC(C)(C)C 1936973845 LUNWUPNPGLXONV-GDBMZVCRSA-N 320.433 3.442 10 10 DGCE CN[C@@H](c1ccccc1O)[C@](C)(NC(=O)OC(C)(C)C)C1CC1 1936969416 CDVXDJCTQQVDLN-MAUKXSAKSA-N 320.433 3.346 10 10 DGCE COc1ccc(NCc2cc(Br)ccc2O)cc1O 234944026 XOSMGEAFJPMOIH-UHFFFAOYSA-N 324.174 3.481 10 10 DGCE CN(Cc1cc(Cl)cc(Cl)c1O)C[C@@H]1CCCNC1 234328360 WAAHQUDJKULCFM-SNVBAGLBSA-N 303.233 3.130 10 10 DGCE Cc1ccc(O)c(CNCCC(=O)N[C@H](C)c2ccccc2)c1 1857862092 ZMTYUPJVZNJYGR-OAHLLOKOSA-N 312.413 3.058 10 10 DGCE C[C@H]1CN(c2ccc([C@@H](C)O)c(Br)c2)C[C@@H]1F 1947313777 VZVZLQFJLJIRST-RWEMILLDSA-N 302.187 3.297 10 10 DGCE C[C@@]1(F)CCCN(c2ccc(CO)cc2Br)C1 1946858729 NEPRQNMUAMCBJW-CYBMUJFWSA-N 302.187 3.270 10 10 DGCE CN1CCC(N(CCc2ccc(N)cc2)Cc2ccccc2)CC1 1946824990 WQPXSCQOLSBNQO-UHFFFAOYSA-N 323.484 3.408 10 10 DGCE C[C@@H](c1ccccc1O)N(C)Cc1cc(Br)n(C)n1 1877523287 FBPYIOOQJNRUBB-JTQLQIEISA-N 324.222 3.081 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCN(CCCN=[N+]=[N-])CC1(C)C 1962303754 IZUMVYRKZAWUAX-GFCCVEGCSA-N 311.430 3.312 10 10 DGCE Cc1csc(C(=O)N2CC[C@H](N=[N+]=[N-])C2)c1Br 1950861287 VVYIEDOUVHARNL-ZETCQYMHSA-N 315.196 3.344 10 10 DGCE CN(Cc1cc(Cl)cs1)C(=O)COc1ccc(N)cc1 2150405823 KGZPGPBRJBWFQC-UHFFFAOYSA-N 310.806 3.021 10 10 DGCE C[C@@H](N[C@@H]1C=CCN(C(=O)OC(C)(C)C)C1)c1ccccc1O 1971832641 CGJUVUYISYDSIK-ZIAGYGMSSA-N 318.417 3.218 10 10 DGCE CN(CCN=[N+]=[N-])Cc1ncc(Br)cc1Cl 1986209299 QXKTVSKGIBHZNV-UHFFFAOYSA-N 304.579 3.240 10 10 DGCE C[C@H](N)c1cc(F)c(N(Cc2ccccc2)C[C@@H](C)O)c(F)c1 1990441544 BSZBBBBTWUANIL-OLZOCXBDSA-N 320.383 3.372 10 10 DGCE CN[C@H](C)c1ccc(N2C[C@H]3C=C[C@H]2C3)c(Br)c1 2029373099 LWRINDFEPDRCDF-MDZLAQPJSA-N 307.235 3.494 10 10 DGCE Cc1ccc(Br)cc1[C@H](NN)c1ccccc1O 2029543100 GUBMXEGNLJUQEF-CQSZACIVSA-N 307.191 3.016 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCC[C@@]12CCOC2 367047489 JWDIECWFONOARZ-AWEZNQCLSA-N 302.201 3.454 10 10 DGCE C[C@@H](CC(F)F)NCc1cc(Br)cc(F)c1O 715791306 ZYCMGULNHCPYNH-LURJTMIESA-N 312.129 3.427 10 10 DGCE CCc1cnc(CNCc2cc(Cl)cc(Cl)c2O)[nH]1 719147141 ZNAZUTZEMGNURO-UHFFFAOYSA-N 300.189 3.274 10 10 DGCE CCN(CCF)c1ccc(C=CC(=O)O)c(Br)c1 2065010121 WCTQSNGZVQNDBV-UHFFFAOYSA-N 316.170 3.343 10 10 DGCE CNCc1ccc(N(C)[C@H]2C[C@@H]3C[C@@H]3C2)cc1Br 2222758810 VGZVSBASLRWSHH-DABQJJPHSA-N 309.251 3.403 10 10 DGCE Cc1ncc(Br)cc1NCc1ccc(O)cc1O 2254068621 YYKNMINVNVLMPR-UHFFFAOYSA-N 309.163 3.176 10 10 DGCE C[C@H](O)c1ccc(N(CCF)CCF)c(Br)c1 2301714911 RSOXYPCFOYSFGS-VIFPVBQESA-N 308.166 3.248 10 10 DGCE CN(C[C@H]1C[C@H](F)C1)c1ccc(CN)c(Br)c1 2307376266 YGPPZLMLTLWYHN-HOMQSWHASA-N 301.203 3.092 10 10 DGCE Cc1cnc(C)c(NCc2ccc(C)c(Br)c2O)n1 2352943637 WNGKEABGAVYAOX-UHFFFAOYSA-N 322.206 3.482 10 10 DGCE COc1cccc(CNC(=O)Nc2cccc3cnccc23)c1O 69216806 HLOIKIBTNJLGDT-UHFFFAOYSA-N 323.352 3.271 10 10 DGCE OC1CCC(CNCc2ccc(N3CCCCC3)cc2)CC1 318443332 DUFYFHABZNSZCQ-UHFFFAOYSA-N 302.462 3.318 10 10 DGCE CN(C)c1ccc(CNC(=O)CCc2cccc3[nH]ccc23)cc1 75341561 XSAWALSKSLNUBD-UHFFFAOYSA-N 321.424 3.483 10 10 DGCE NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(O)cc1)N2 226635689 BREQWFTZQOFGJT-RVKKMQEKSA-N 306.365 3.318 10 10 DGCE CCN[C@H](C)c1ccc(N2C[C@@H](C)[C@@H](N(C)C)C2)c(Cl)c1 226078361 KKHUVWIGJPPGAY-XNJGSVPQSA-N 309.885 3.397 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCCC1(C)C 194470275 CLIZGMVCXMGZAY-JSGCOSHPSA-N 305.418 3.361 10 10 DGCE C[C@H](Nc1cccnc1Br)c1ccc(O)cc1O 235546694 NDIFNUAWWGYQIF-QMMMGPOBSA-N 309.163 3.428 10 10 DGCE C[C@H](O)[C@@H](N)c1cc(Cl)c(OCc2ccccc2)cc1O 95781392 WEKYIPHQNLFCDB-MGPLVRAMSA-N 307.777 3.005 10 10 DGCE Cn1nc2c(c1CNCc1ccc3ccccc3c1O)CCCC2 816616055 NFVKHQLLMXFDCH-UHFFFAOYSA-N 321.424 3.448 10 10 DGCE CC[C@@H]1CCCN1c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] 727826165 AUIOZWHPSBKBMQ-FNOHHLHBSA-N 304.346 3.160 10 10 DGCE Fc1cc(CN[C@H]2CCCC23CCC3)ccc1N1CCOCC1 823671306 KVHIEFJCVZDXOR-SFHVURJKSA-N 318.436 3.475 10 10 DGCE C[C@@H]1CCCCCN1C(=O)NCc1ccc(N(C)C)c(F)c1 734066910 GXLNFPUJYZFPON-CYBMUJFWSA-N 307.413 3.366 10 10 DGCE Oc1cc2c(cc1CN1CCC[C@@H]1[C@H]1CCC[C@@H]1O)CCC2 840117931 CKBSOATVDBTAGZ-KURKYZTESA-N 301.430 3.006 10 10 DGCE COC(=O)c1ccc(O)c([C@H](C)NC[C@H](C)CC(F)F)c1 842891030 WIRZYYVPTUCHKP-ZJUUUORDSA-N 301.333 3.121 10 10 DGCE Cc1cc(N(C)C)ccc1CN[C@@H](C1CC1)[C@H]1CCCCO1 848921458 BJVZOHJUKUUZBF-MOPGFXCFSA-N 302.462 3.498 10 10 DGCE CC(C)(C)OC(=O)Nc1cccc(O)c1C1(N)CC(F)(F)C1 1953021146 LMEXDWSGCOEIMI-UHFFFAOYSA-N 314.332 3.322 10 10 DGCE Fc1cc(CN[C@H]2CC23CCCC3)ccc1N1CCOCC1 758525755 PPLQHYGXOVXCSL-KRWDZBQOSA-N 304.409 3.085 10 10 DGCE CCN(CC)c1ccc(CNCc2c3c(nn2C)CCC3)cc1 921552362 DCRDEXHRFAOYRD-UHFFFAOYSA-N 312.461 3.045 10 10 DGCE COC(=O)C1=CC[C@H](N[C@H](C)c2cc3c(cc2O)CCCC3)C1 858473539 PBVKXDDZFGVHQK-WBMJQRKESA-N 315.413 3.183 10 10 DGCE C[C@H](NCC12CC(CN1)C2)c1cc(Cl)c(Cl)cc1O 854228445 WIMLJZYQJBTQRM-JUXJKVCFSA-N 301.217 3.102 10 10 DGCE C[C@H](N[C@H](C)[C@@H](O)C(F)(F)F)c1cc2c(cc1O)CCCC2 866463015 GKOPXZNQQBBSNR-FEUHOPSXSA-N 317.351 3.233 10 10 DGCE Cc1ccc([C@H](C)NCCOCC(=O)OC(C)(C)C)c(O)c1C 866438590 ZFNKVBRIYRCNIJ-AWEZNQCLSA-N 323.433 3.018 10 10 DGCE O=C(c1cccc([C@H]2CCCOC2)c1)N1Cc2cccc(O)c2C1 871204295 XMPLBJIADWEJJQ-KRWDZBQOSA-N 323.392 3.442 10 10 DGCE COCc1ccsc1C(=O)NCc1ccc(N(C)C)cc1C 778755381 AFXQNOCYCOCOBE-UHFFFAOYSA-N 318.442 3.199 10 10 DGCE C/C(=C/C(=O)N1C[C@H](C)Cc2cccc(F)c21)c1cnccn1 876417825 QCNGNXRJNYEVNH-FNWMBBJUSA-N 311.360 3.244 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@@H]2CCC(C)(C)O2)cc1 782670546 GNWDYKXTRPKUKA-INIZCTEOSA-N 304.434 3.107 10 10 DGCE CCOC(=O)CC1(NCc2cc(OCC)ccc2O)CCCC1 789778707 IVRBLQSOEKKKPR-UHFFFAOYSA-N 321.417 3.147 10 10 DGCE CCCSCCNCc1cc(Br)ccc1O 397316003 LFGHNSUDTKSPPU-UHFFFAOYSA-N 304.253 3.388 10 10 DGCE CCCO[C@H]1CCN(Cc2cccc(Br)c2O)C1 701666519 XZZUIRQMPCFGFX-LBPRGKRZSA-N 314.223 3.156 10 10 DGCE COC(=O)[C@@H](NCCCN=[N+]=[N-])c1ccc(Cl)c(Cl)c1 90259529 ITZFZJSNTVAIRN-NSHDSACASA-N 317.176 3.498 10 10 DGCE CC1(C)C[C@@]1(CNC(=O)c1cccc(O)c1O)c1ccccc1 1301307790 IAVPNZNIBWQUDH-LJQANCHMSA-N 311.381 3.196 10 10 DGCE CC(C)(C)OC(=O)NC[C@]1(F)C[C@H](Nc2ccc(N)cc2)C1 1959383893 YRYMNKAWWFOEAT-SAZUREKKSA-N 309.385 3.076 10 10 DGCE [N-]=[N+]=N[C@@H]1CCN(C(=O)c2sccc2Br)C1 1912163932 PTOSCJQMLLUNMF-ZCFIWIBFSA-N 301.169 3.035 10 10 DGCE COC[C@@H](C)NC(=O)c1cc(C)ccc1-n1c(C)ccc1C 1446332013 LIHWGSFETIGHQY-CYBMUJFWSA-N 300.402 3.167 10 10 DGCE COc1ccc(F)c(CNC(=O)N[C@H](C)c2ccccc2O)c1 1470878357 MDWWALCQYOPPCT-LLVKDONJSA-N 318.348 3.100 10 10 DGCE O=C(NCc1ccccc1O)[C@@H]1C[C@H]1c1ccc(F)cc1F 1545682271 ZJFJLUNICQBKMX-UONOGXRCSA-N 303.308 3.090 10 10 DGCE CCC[C@H](O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 1627006515 QFIGVRURLOPPBA-SFHVURJKSA-N 318.461 3.233 10 10 DGCE CSc1ccccc1CC(=O)NCc1cc(C)ccc1O 1557552303 BXXPGAZJVXFPBH-UHFFFAOYSA-N 301.411 3.281 10 10 DGCE O=C(O)c1cc(/N=N/c2ccc([S@](=O)O)cc2)ccc1O 1848437462 ZMHWVBAXMDUAKQ-CCEZHUSRSA-N 306.299 3.086 10 10 DGCE Cc1ccnc(N(C)Cc2ccc(N)cc2)c1Br 234305317 XCOBRQWSKAWGMY-UHFFFAOYSA-N 306.207 3.371 10 10 DGCE CC(C)(C)OC(=O)N1CCC(C)(C)[C@H]1[C@@H](N)c1ccccc1O 1936975284 QAEYZWJHMMHCAV-LSDHHAIUSA-N 320.433 3.428 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CCN(CCCN=[N+]=[N-])CC1(C)C 1962303755 IZUMVYRKZAWUAX-LBPRGKRZSA-N 311.430 3.312 10 10 DGCE CP(C)(=O)C1CCN(Cc2cc(F)cc(F)c2O)CC1 1967848582 QIULSHSZDBJDOQ-UHFFFAOYSA-N 303.289 3.258 10 10 DGCE CC[C@H](NCc1cccc(C)c1O)[C@@H](C)NC(=O)OC(C)(C)C 1994449791 KNLOTEXYUBGBGO-HIFRSBDPSA-N 322.449 3.482 10 10 DGCE C[C@@H](F)[C@@H]1CCCN1c1ccc(CN)c(Br)c1 2010593103 UUQZDLKKFIYQTI-RNCFNFMXSA-N 301.203 3.235 10 10 DGCE COCCNCc1ccc(N2C[C@H](F)C[C@@H]2C)c(Cl)c1 2160295083 NXHGRVDRDAFNQP-WCQYABFASA-N 300.805 3.013 10 10 DGCE Nc1ccc(C[C@@H](O)Cc2ccc(Br)cc2)cc1 696516784 ZZOGMRHBWYCQGZ-HNNXBMFYSA-N 306.203 3.177 10 10 DGCE Oc1ccc(Cl)cc1CNCc1ccnn1C(F)(F)F 2199752243 QBCGOPVGTCNZTJ-UHFFFAOYSA-N 305.687 3.008 10 10 DGCE CO[C@H]1CC[C@H](CNCc2c(O)cccc2Br)C1 2054474900 NCPDHJIRJKKRSV-QWRGUYRKSA-N 314.223 3.059 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@@H](F)C[C@H](F)C2)c(Br)c1 2062397293 SYBHGMCEHGPDDA-MIMYLULJSA-N 320.177 3.389 10 10 DGCE Cc1nn(C)c(N(C)[C@H](C)c2ccccc2O)c1Br 2226818176 CPUGNIBVTMCFTE-SNVBAGLBSA-N 324.222 3.394 10 10 DGCE COc1ccc(NCc2ccc(O)cc2O)c(Br)c1 2229048959 IBMGLWDFSZVKTH-UHFFFAOYSA-N 324.174 3.481 10 10 DGCE Oc1cc(O)c(CNCc2ccccc2)cc1Br 2241489146 ADBCOXDKSHDRSY-UHFFFAOYSA-N 308.175 3.150 10 10 DGCE CCNC1C[C@@H]2CCC[C@H](C1)N2Cc1cnc(SC)s1 2284702236 GQGXPQSNXBPTOB-YHWZYXNKSA-N 311.520 3.360 10 10 DGCE CN1CCC(N2C(=O)C(=Cc3ccsc3)SC2=S)CC1 2297394675 UFFSJLMKHCXAMD-UHFFFAOYSA-N 324.496 3.044 10 10 DGCE O=C(C=Cc1cncc(F)c1)N1CCc2ccc(Cl)cc21 2297491329 QZSZSLBMSCPYDP-UHFFFAOYSA-N 302.736 3.477 10 10 DGCE O=C(C=Cc1ccc(Cl)nc1)N1CCCc2cccc(O)c21 2307798103 DRIFEBRDFMNJHK-UHFFFAOYSA-N 314.772 3.433 10 10 DGCE CCOc1ccc(NC(=O)C=Cc2ccc(O)c(O)c2)c(C)c1 2307996794 VGHIBZBNDBWOAX-UHFFFAOYSA-N 313.353 3.457 10 10 DGCE C[C@@H](c1cccc(O)c1)N(C)Cc1cc([N+](=O)[O-])ccc1O 173366187 URVVBAMXYAWFPZ-NSHDSACASA-N 302.330 3.199 10 10 DGCE COc1cc(O)c(CN2CCc3c(F)cc(F)cc32)cc1OC 179448221 UBKZHKPITUINJF-UHFFFAOYSA-N 321.323 3.250 10 10 DGCE CC[C@H](C)N(CC)c1c(F)cc(CNCCOC)cc1F 62735443 GWBQHRPHFPFOPB-LBPRGKRZSA-N 300.393 3.326 10 10 DGCE Nc1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)cc1 37296185 BZRVKQZRXWJOPF-UHFFFAOYSA-N 301.821 3.244 10 10 DGCE CCOc1cccc(CNc2cccc3c2OCC[C@@H]3O)c1O 184088220 JOZBVGOKUAAWKS-HNNXBMFYSA-N 315.369 3.219 10 10 DGCE CSc1ccccc1C(=O)Nc1ccc(O)cc1C(=O)O 48847097 OEMLXEWZFLTYNU-UHFFFAOYSA-N 303.339 3.065 10 10 DGCE C[C@@H](Nc1ccc(CN2CCOCC2)cc1)c1ccccc1O 192948908 HIIHGDABHPOVBQ-OAHLLOKOSA-N 312.413 3.398 10 10 DGCE C[C@@H](CN(C)Cc1ccccc1)NCc1cc(F)ccc1O 381075802 RAFZWXORZUEIDM-AWEZNQCLSA-N 302.393 3.141 10 10 DGCE CO[C@@H](C)[C@H](C)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 190340001 PFNZCSAQFNVQRV-JSGCOSHPSA-N 318.392 3.386 10 10 DGCE CC[C@](NCCCN=[N+]=[N-])(C(=O)OC)c1cccc(Cl)c1 90259683 UQFQROXRXLHXLB-CQSZACIVSA-N 310.785 3.408 10 10 DGCE CN(C)c1ccc(CNC(=O)c2c[nH]c3cccc(F)c23)cc1 90089768 GGZPVPKCGWVJQL-UHFFFAOYSA-N 311.360 3.303 10 10 DGCE C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]2CCCC[C@@H]12 248386211 LQUBEQVKKWFFSM-YKHUSTECSA-N 301.386 3.148 10 10 DGCE Cc1cncc(/C=C\C(=O)N2C[C@@H](C)Oc3cc(F)ccc32)c1 255073060 NKQIQHSHUUVRQS-ACVFHECNSA-N 312.344 3.356 10 10 DGCE CN[C@@H](C)c1ccc(N(CCOC)[C@H](C)COC)cc1Cl 250984644 JTJWAIHYVHTBHH-OLZOCXBDSA-N 314.857 3.108 10 10 DGCE C[C@H](CCN[C@H](C)c1ccccc1O)NC(=O)OC(C)(C)C 183595974 GDMVJPPDWYPCAY-CHWSQXEVSA-N 308.422 3.346 10 10 DGCE COc1cc(NCc2cc([N+](=O)[O-])ccc2O)c(C)c(OC)c1 800291355 QIXQLEUBOGFRGI-UHFFFAOYSA-N 318.329 3.238 10 10 DGCE Cc1cc(C(=O)Nc2cnn[nH]2)c(C)n1-c1ccc(Cl)cc1 807923935 YSOZIUGNXMNPLJ-UHFFFAOYSA-N 315.764 3.118 10 10 DGCE CCN(CC)c1ccc(CN2C[C@@H](C)[C@H](CC(=O)O)C2)cc1F 902559727 LEWBFJLHJNWOTO-UKRRQHHQSA-N 322.424 3.215 10 10 DGCE CN(C)[C@H]1C[C@@H](CNCc2ccc(N3CCCCC3)cc2)C1 848562397 JGFVUHOFWUYYOD-IZAXUBKRSA-N 301.478 3.107 10 10 DGCE Cc1cc(N(C)C)ccc1CNC1C[C@@H]2CCC[C@H](C1)N2C 840935427 PDIIUYQMULLITA-JLYLLQBASA-N 301.478 3.166 10 10 DGCE CC(C)(C)OC(=O)N[C@@H](c1c(N)cccc1O)C(F)(F)F 1953067154 BGXDYYWHDAGCIE-JTQLQIEISA-N 306.284 3.103 10 10 DGCE c1csc(SCCCN[C@@H]2CCCN3CCCC[C@@H]23)n1 925102151 LMRJYJARLVUHTB-KGLIPLIRSA-N 311.520 3.232 10 10 DGCE CC(=O)c1cc(F)cc(CN2CC3(CCCC3)OC[C@@H]2C)c1O 852637024 AQYADLOZDKPWJU-LBPRGKRZSA-N 321.392 3.267 10 10 DGCE COc1ccc(O)c(CNC(=O)N[C@@H](C)C2CCC(F)CC2)c1 853736595 HPYZJPWBMHQVJN-DCBWTQNWSA-N 324.396 3.117 10 10 DGCE CCN(Cc1cc(Cl)n(C)n1)c1ccc(OC)c(OC)c1 859174860 JCOKXJVJWWXHPP-UHFFFAOYSA-N 309.797 3.117 10 10 DGCE O=C(C[C@]12CCCC[C@@H]1C2(F)F)N1Cc2cccc(O)c2C1 871206308 ZEPYHJPGMWOPDQ-GOEBONIOSA-N 307.340 3.450 10 10 DGCE CCCN(c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-])C1CC1 779426703 HFZXCHHSMNPHAY-UITAMQMPSA-N 304.346 3.160 10 10 DGCE Cc1cc(O)c(CN2C[C@@H](C(F)(F)F)OC[C@H]2C)cc1C 795694941 UVZWEHBFNRMBSA-RISCZKNCSA-N 303.324 3.161 10 10 DGCE Cc1cc(NC(=O)c2cc(O)cs2)n(-c2ccc(F)cc2)n1 1143450634 RWZOOHYHQXXABZ-UHFFFAOYSA-N 317.345 3.339 10 10 DGCE C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)[C@@H]1CCC[C@@H](C)C1 1142302196 SAVWIXSXXFKIHG-TWRWCVTOSA-N 303.402 3.442 10 10 DGCE CN(C)c1ccc([C@H](CNC(=O)/C=C/C(C)(C)C)N(C)C)cc1 1158718427 XRRZHGJDXWOLKH-UJGDBWEASA-N 317.477 3.074 10 10 DGCE C[C@@H](NC(=O)c1ccc(Br)nc1)c1ccccc1O 1648890055 XWGGVYHMTCHEFH-SECBINFHSA-N 321.174 3.041 10 10 DGCE CN(CCN=[N+]=[N-])C(=O)c1ccc(Cl)c(Br)c1 1912168535 VDVPHSJSKSFTHO-UHFFFAOYSA-N 317.574 3.485 10 10 DGCE COc1c(Cl)cc(C(=O)N(C)CCN=[N+]=[N-])cc1Cl 1912176724 CYFURKCKQFTVJQ-UHFFFAOYSA-N 303.149 3.384 10 10 DGCE COc1ccc(CN[C@@H](C)[C@H](C)NC(=O)CC(C)C)cc1C 1505547939 QXWDWXZGDUBNNJ-GJZGRUSLSA-N 306.450 3.033 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)NCc1csc2ccccc12 1441433569 MDOSSCNVMJQJOD-UHFFFAOYSA-N 313.378 3.171 10 10 DGCE C[C@H](N)c1ccc(N(Cc2ccccc2)[C@H](C)CCO)cc1O 1915401811 XTYCZHPQQLZSND-CABCVRRESA-N 314.429 3.189 10 10 DGCE Cn1c(-c2ccccc2)cnc1SC[C@@H](O)C(F)(F)F 157994099 KPWYQYOQBACHPV-LLVKDONJSA-N 302.321 3.102 10 10 DGCE CCCC(=O)N[C@@H]1CC[C@@H](CNCc2ccc(OC)c(C)c2)C1 1486189983 FOTIVJGYBFMZGV-IAGOWNOFSA-N 318.461 3.178 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2ccc(-c3cnc[nH]3)cc2)c1 1629740921 SUGHYRRCQCLVMT-UHFFFAOYSA-N 307.353 3.021 10 10 DGCE CCOc1ccc(N(CC2CC2)C[C@@H]2C[C@@H]3COC[C@@H]3O2)cc1 1654518157 HXPGHTSCZZVPJW-MNEFBYGVSA-N 317.429 3.106 10 10 DGCE CC(C)(CCNC(=O)OC(C)(C)C)NCc1ccc(N)cc1 1929710627 IYJAVGOEVQPHHW-UHFFFAOYSA-N 307.438 3.052 10 10 DGCE COc1ccc(N2CCN(C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)cc1F 1653749224 GWWRUQHCANYGPH-OAGGEKHMSA-N 318.436 3.393 10 10 DGCE Cc1nc(F)ccc1/C=C1/SC(=S)N(C2CCC2)C1=O 1772940371 ZYSLNKGNPWOZCM-YRNVUSSQSA-N 308.403 3.283 10 10 DGCE Cc1csc(CNC(=O)NCc2cccc(Cl)c2O)c1 1682658721 CPIYQMCYWVWSPA-UHFFFAOYSA-N 310.806 3.415 10 10 DGCE CC(C)CNCc1ccc(N2CC[C@H](O)[C@@H](C)C2)c(Cl)c1 166509967 CTYWHQJZFIYYKY-GUYCJALGSA-N 310.869 3.293 10 10 DGCE CC[C@H]1CCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 152803250 VZVYLGJLGADULP-PZBABLGHSA-N 304.346 3.017 10 10 DGCE CC[C@H](C)c1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)on1 152840711 RUSIMOVWIZRJHL-NSHDSACASA-N 319.380 3.323 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)CCCC[C@H](C)C(C)=O)c1 153928631 DCMOPSPVXDZUGI-QWHCGFSZSA-N 321.417 3.364 10 10 DGCE OC[C@@H]1C[C@@H]2CN(c3ccc(OCc4ccccc4)cc3)C[C@@H]21 1899861390 BPHSXNJAUBIXRQ-UWVAXJGDSA-N 309.409 3.330 10 10 DGCE C[C@@H](N(Cc1ccccc1)Cc1cc(N)ccc1O)C(C)(C)O 1980733518 PHEDBLJBRZYPNO-CQSZACIVSA-N 314.429 3.136 10 10 DGCE Nc1ccc(CC[C@@H](O)c2ccnn2Cc2ccccc2)cc1 1994396573 TUZQHBBRGPVVHL-LJQANCHMSA-N 307.397 3.180 10 10 DGCE CNCc1ccc(N2CCC[C@@H](CF)C2)c(Br)c1 711455376 PKWPSKLNKUIPQL-LBPRGKRZSA-N 315.230 3.354 10 10 DGCE C[C@@H]1CN(Cc2ccccc2)CCCN1CCc1ccc(N)cc1 382673507 BBIZDIIOFCWYST-GOSISDBHSA-N 323.484 3.408 10 10 DGCE CN[C@@H](c1ccc(N(C)C)cc1)[C@H](O)c1cscc1Cl 2163132403 BIFGZZZQNUDVPW-LSDHHAIUSA-N 310.850 3.462 10 10 DGCE C[C@H]1CC[C@H](CCN(C)c2cc(Cl)c(CN)cc2F)O1 2177381895 SIOHUINVECSWJN-CMPLNLGQSA-N 300.805 3.332 10 10 DGCE CC(C)c1cc(C(=O)N(C)C)n([C@@H](C)c2c(O)cccc2F)n1 2070084166 PGUASMLUWHJNAY-NSHDSACASA-N 319.380 3.162 10 10 DGCE CN[C@H](C)c1ccc2c(c1)CCN2CC1(Br)CC1 2049201487 WIJALKCQQYCOSI-LLVKDONJSA-N 309.251 3.257 10 10 DGCE CN(C[C@@]1(C)CCCOC1)c1cc(Cl)c(CN)cc1F 2190140176 OVWCNLJCNPBPCR-OAHLLOKOSA-N 300.805 3.191 10 10 DGCE CCN(C)[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)C1 2097667419 CQSNIIQPTDMAFK-LBPRGKRZSA-N 303.233 3.225 10 10 DGCE CN1[C@H]2CC[C@@H](Nc3c(N)cccc3Br)C[C@H]1CC2 2097921059 RJXBQLMPHBKRBL-GRYCIOLGSA-N 324.266 3.459 10 10 DGCE C[C@H](O)c1ccc(N(C)C[C@H](F)[C@@H]2CCOC2)cc1Cl 2238343270 MUKWIVYNJZMEQX-RWSFTLGLSA-N 301.789 3.204 10 10 DGCE CSc1ncc(CNC[C@H]2Cc3cc(F)ccc3O2)s1 2284504214 KPTDQBSKNGYRRZ-LLVKDONJSA-N 310.419 3.097 10 10 DGCE Cc1ccc(CN[C@H](C)C2(F)CC2)c(O)c1Br 2307475260 PGTUTIFKDMNZIF-SECBINFHSA-N 302.187 3.443 10 10 DGCE CC(C)=C(Br)CN1CCN(c2ccc(N)cc2)C1=O 2340153609 ZQWAWHDDQNTJJA-UHFFFAOYSA-N 324.222 3.200 10 10 DGCE Cc1cc([C@H](NN)c2ccccc2O)c(Br)s1 1951118769 PRYOCSTYVQHIKU-LLVKDONJSA-N 313.220 3.077 10 10 DGCE Cc1cc(C(=O)NCCOC(C)C)c(C)n1-c1ccccc1 182706370 GFTCJYAUMCDWIA-UHFFFAOYSA-N 300.402 3.249 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)N(CCO)CC1CC1 804251916 OXFAKAPCSPDURF-UHFFFAOYSA-N 318.442 3.000 10 10 DGCE C[C@@H](N[C@H]1CCOC1(C)C)c1ccc(Br)cc1O 296279064 DYOVECUSJAXAQM-RNCFNFMXSA-N 314.223 3.373 10 10 DGCE COc1ccc(O)c([C@@H](C)N[C@H]2COc3ccc(F)cc3C2)c1 290413169 UGMRSSGSYMMHJS-BXUZGUMPSA-N 317.360 3.194 10 10 DGCE C[C@H]1C[C@@H](C(F)(F)F)CCN1Cc1cc2c(cc1O)OCO2 295043786 OWJICFZDOWSENU-ONGXEEELSA-N 317.307 3.284 10 10 DGCE Nc1ccc(N2C[C@H]3C[C@@H](CN(Cc4ccccc4)C3)C2)cc1 719364566 RDYOYWDDVHDRJF-ROUUACIJSA-N 307.441 3.227 10 10 DGCE Cc1cnccc1/C=C\C(=O)NCCCSc1nccs1 823298232 OSEFGNBZTOPLEV-ARJAWSKDSA-N 319.455 3.158 10 10 DGCE C[C@@H](CO)[C@@H](C)NCc1ccc(N(C)Cc2cccs2)cc1 823924092 RCPDXXUIXUZRSM-LSDHHAIUSA-N 318.486 3.491 10 10 DGCE CCCCCC[C@@H](C)NC(=O)COC(=O)c1cc(O)cs1 732353841 BFRKKYWBWRHYDF-LLVKDONJSA-N 313.419 3.086 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@@H](CCO)c2ccco2)cc1 835046455 JTBKKDNCQBHTLN-RCFWFJCLSA-N 300.402 3.072 10 10 DGCE O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cccc(Cl)c1O 840997715 GPORQYNXXOOKGM-BPNCWPANSA-N 309.793 3.263 10 10 DGCE O=C(NCCCOC1CCCCC1)NCc1c(O)cccc1F 913940467 DNXHGSINYLPXQD-UHFFFAOYSA-N 324.396 3.070 10 10 DGCE Cc1cccc2c1C(=O)N[C@@H](c1ccc3c(c1)CCCN3C)N2 748095598 KFMNQBQYYPGXPQ-SFHVURJKSA-N 307.397 3.232 10 10 DGCE CCO[C@H](C)c1ncc(C(=O)NCc2c(O)cccc2F)s1 928704567 CFWJKZSWKPTBQS-SECBINFHSA-N 324.377 3.015 10 10 DGCE CO[C@@H](CN(Cc1ccccc1O)C[C@H]1CCCO1)C1CCC1 851840424 GPXVWIZPXBQFAS-MJGOQNOKSA-N 319.445 3.188 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)NC[C@@H]1CCC[C@H]2C[C@H]21 852565561 OVEJTHBWFIAPQL-COPLHBTASA-N 308.809 3.281 10 10 DGCE COc1ccc2c(c1)C[C@H](C(C)C)CN2CCC(OC)OC 852186578 FTWUEDIMQPJIPF-HNNXBMFYSA-N 307.434 3.339 10 10 DGCE OCc1cc(N2CC=C(c3ccc(Cl)nc3)CC2)ncc1F 853468191 PTJTUMRTAMMSRW-UHFFFAOYSA-N 319.767 3.055 10 10 DGCE CC[C@@H](NCC[C@@H](COC)OC)c1cc(Cl)ccc1O 850486944 WOXYOHPRDGSTRV-GXTWGEPZSA-N 301.814 3.138 10 10 DGCE Cc1cc(CN2CC[C@H]3COC[C@@H]3C2)ccc1N1CCCCC1 852663950 AIDAJEUNJDKQQZ-OALUTQOASA-N 314.473 3.454 10 10 DGCE CCN(CC)c1ccc(CNC(=O)c2cc(F)ncc2C)cc1 1125167263 VIIPXPDOTIFQKA-UHFFFAOYSA-N 315.392 3.305 10 10 DGCE C[C@H]1CO[C@H](C(F)(F)F)CN1Cc1cc2c(cc1O)CCC2 795694240 OSAAHCFVSUVOIY-BONVTDFDSA-N 315.335 3.033 10 10 DGCE CO[C@@H]1CCC[C@@H]1N(C)Cc1cc(Br)ccc1O 687465754 CEUTTZYJNGFWCX-GXTWGEPZSA-N 314.223 3.154 10 10 DGCE Cc1ccc(C(=O)NCCCc2ccc(Cl)cc2)c(O)c1O 1143093256 OLDDZNDFWTXKFV-UHFFFAOYSA-N 319.788 3.422 10 10 DGCE C[C@H](CC(=O)NCc1c(O)cccc1O)c1ccc(F)cc1F 1304053410 KMGHBKHHCIBMRJ-SNVBAGLBSA-N 321.323 3.186 10 10 DGCE COC[C@H](N[C@@H]1C[C@H](C)c2c(C)ccc(O)c21)C1CCOCC1 1346869375 QYXJJYZIGCBSJN-IMJJTQAJSA-N 319.445 3.280 10 10 DGCE CCOc1cc(CNCCOC)ccc1N1CCC(C)CC1 212712422 OMRQRFAJNUWRTI-UHFFFAOYSA-N 306.450 3.058 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)CCC2(C)CC2)cc1 1527596251 SSRZNLLMGXOZRK-UHFFFAOYSA-N 304.434 3.170 10 10 DGCE Cc1nc2cccc(C(=O)NCc3cccc(Cl)c3O)c2[nH]1 1606861195 YAYZXAWVTREUGR-UHFFFAOYSA-N 315.760 3.160 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)c1cc([N+](=O)[O-])ccc1F 1469876035 AKGOAPCFESRTBT-UHFFFAOYSA-N 324.695 3.023 10 10 DGCE CCOc1ccc(N(C)C[C@@H]2CCC[C@]3(CCOC3)O2)cc1 1620559744 BHZWYUVSYUAJMM-ZWKOTPCHSA-N 305.418 3.250 10 10 DGCE Cc1cc2c(cc1C)N(C(=O)c1c(F)ccc(O)c1O)CC2 1558979629 VQESQZQOSDQPHX-UHFFFAOYSA-N 301.317 3.057 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCc2cccc(O)c21 1632228213 MPUPJQBRTJYDLA-CYBMUJFWSA-N 317.772 3.097 10 10 DGCE CC1(C)CCC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C1 1630021400 DFTLZOXJMIQQSA-OWNNVSBGSA-N 303.402 3.444 10 10 DGCE Cc1cc(C)c2c(c1)N(C(=O)Cc1ccc(O)c(O)c1)CCC2 1632385651 BJFZWPWKKNHPHD-UHFFFAOYSA-N 311.381 3.237 10 10 DGCE CCCC(=O)N[C@@](C)(CNCc1ccc(OC)c(C)c1)C1CC1 1732238544 HTOIWKVCHOYRSV-IBGZPJMESA-N 318.461 3.178 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H]1CC[C@@H]1C 1640279441 XHVKGJKJTMFMIX-YVEFUNNKSA-N 310.397 3.435 10 10 DGCE CC[C@H](CNC(=O)OC(C)(C)C)C[C@H](N)c1ccccc1O 1928480947 PJVUFSLWUOUQQO-JSGCOSHPSA-N 308.422 3.333 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2ccc3c(c2)OC(C)(C)C3)c1 1645804969 OFFACUWMLPLGAD-UHFFFAOYSA-N 311.381 3.344 10 10 DGCE COC(=O)c1ccc([N+](=O)[O-])c(CSc2nccs2)c1 1652615702 BYVOVBNREFQYSZ-UHFFFAOYSA-N 310.356 3.130 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)NC[C@H]1C[C@H]2C=C[C@H]1C2 1685668243 LPFUTPGREAJABV-SDDRHHMPSA-N 306.793 3.057 10 10 DGCE CC[C@@H](CNC(=O)C1(C)CCC1)NCc1ccc(OC)c(C)c1 1698610400 QIQHLJAQCUFVFH-INIZCTEOSA-N 318.461 3.178 10 10 DGCE Cc1ccc(/C=C2\SC(Nc3ccc(O)cc3)=NC2=O)o1 16904731 UHWNSCRBEPDEQI-JYRVWZFOSA-N 300.339 3.376 10 10 DGCE CSCC[C@@H](C)N(C)c1ccc(CN)cc1Br 161091109 WPPNDZDPGNDOKT-SNVBAGLBSA-N 317.296 3.486 10 10 DGCE CCCN1N=C(C)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 1865677018 RFWFKFYEUDMTFO-YRNVUSSQSA-N 307.737 3.260 10 10 DGCE Nc1ccc(Oc2ccc(NC(=O)c3cnccn3)cc2)cc1 1866102401 QIAKTXYABMTADM-UHFFFAOYSA-N 306.325 3.103 10 10 DGCE COc1ccc([C@@H]2CN(Cc3ccc(N)cc3)C(=O)O2)c(C)c1 585904010 FVDFKVLRMRGPMD-KRWDZBQOSA-N 312.369 3.279 10 10 DGCE COC1CC(CCNCc2cccc(Br)c2O)C1 850341405 JMJPBXFYKOVJIZ-UHFFFAOYSA-N 314.223 3.059 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1CCCCN(CCCN=[N+]=[N-])C1 1962305663 UICOZFJKDXXGKH-ZDUSSCGKSA-N 311.430 3.314 10 10 DGCE CCOc1ccccc1NCc1nc(Br)cn1C 1965858853 AIYNIIWSNXHOPD-UHFFFAOYSA-N 310.195 3.193 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@H]1COCCC1(F)F 1972758346 QWSYNFKNYJXISK-JTQLQIEISA-N 312.143 3.213 10 10 DGCE Cc1cccc(N)c1N[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1977663676 BQNBGIUCXHCWOE-GZBFAFLISA-N 317.433 3.245 10 10 DGCE CC(C)(C)OC(=O)NCCN(Cc1ccc(N)cc1)CC1CC1 1977921486 VXDXHUWLADLJBF-UHFFFAOYSA-N 319.449 3.006 10 10 DGCE CC(C)(C)OC(=O)N[C@]1([C@H](N)c2ccccc2O)CC[C@@H]2C[C@H]21 1979066701 DHEKGBSHEVDJGN-VBVJRUAFSA-N 318.417 3.085 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2CN(CCCN=[N+]=[N-])C(C)(C)[C@H]2C1 1982247423 HTVXEYMLSPENCN-STQMWFEESA-N 323.441 3.264 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CCN(CCCN=[N+]=[N-])CC12CCC2 1982248671 XIBUNCUCDFCOAQ-ZDUSSCGKSA-N 323.441 3.456 10 10 DGCE CC[C@H](O)CN(Cc1ccccc1)c1ccc2c(c1)CC[C@H]2O 1986602326 FGAXQMHYJNPHJZ-AZUAARDMSA-N 311.425 3.444 10 10 DGCE CCOC(=O)[C@](C)(CCCSc1nccs1)NC(C)C 45596127 YDIOQAQEKOFZIH-AWEZNQCLSA-N 316.492 3.335 10 10 DGCE Nc1ccc(CNCCc2ccsc2Br)cc1 2013698180 ASKVFGYKEOSLON-UHFFFAOYSA-N 311.248 3.425 10 10 DGCE C[C@@H](N)c1ccc(N2CCOCC[C@H]2C)cc1Br 2031623651 DXUMZUCZCYEUAC-GHMZBOCLSA-N 313.239 3.084 10 10 DGCE CCNCc1ccc(N2C[C@H]3C[C@@]3(C)C2)cc1Br 2035032475 RZTQIODCCGNSJQ-DOMZBBRYSA-N 309.251 3.405 10 10 DGCE Cc1cccc(O)c1Cn1nc(C2CCCCC2)cc1CO 2070158131 GDNIDGVFTNWPHB-UHFFFAOYSA-N 300.402 3.485 10 10 DGCE CCOC(=O)c1c(C)nn(Cc2cc(C)ccc2O)c1C(F)F 2079160755 MWBRTJVVMGLLLF-UHFFFAOYSA-N 324.327 3.368 10 10 DGCE CC1(c2nn(Cc3cc(F)ccc3O)c(N)c2C2(C)CC2)CC1 2079719032 IQLYOBQENHHBIK-UHFFFAOYSA-N 315.392 3.461 10 10 DGCE C[C@@H](O)c1ccc(N(C)[C@]2(C)CCOC2)cc1Br 2055448343 LMSRGWAHZKVXSH-QMTHXVAHSA-N 314.223 3.118 10 10 DGCE CN1CCc2cc(CN[C@@H]3CCC=C3Br)ccc21 2076077675 ASIDSXATTOZJKB-CQSZACIVSA-N 307.235 3.210 10 10 DGCE COc1ccc(CNCc2cnc(SC)s2)cc1OC 2208406055 DROGIZKQYFTGTH-UHFFFAOYSA-N 310.444 3.172 10 10 DGCE CCC[C@H]1CN(c2ccc(OC)cc2Br)CCN1 2221629019 WSAMFZNAZRNOQL-NSHDSACASA-N 313.239 3.036 10 10 DGCE CC(C)n1nc(Br)cc1N(C)Cc1ccc(N)cc1 2224283671 REXNFNIAAUHENU-UHFFFAOYSA-N 323.238 3.445 10 10 DGCE NCc1cc(F)c(N2CCC[C@H](OC(F)F)C2)cc1Cl 2235666481 NTANYPOUXPAJPJ-VIFPVBQESA-N 308.731 3.146 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)c1cc(Cl)ncc1Cl 2225800712 RWIPLMPYTMYAGC-RKDXNWHRSA-N 300.149 3.350 10 10 DGCE Nc1ccc(CC[S@](=O)C[C@@H]2CCCCC2(F)F)cc1 2283108818 ZGMIULPFSDUAQU-RBZFPXEDSA-N 301.402 3.386 10 10 DGCE CCN[C@@H](C)c1cnc(SC[C@]2(OCC)CCOC2)s1 2287073321 TZBAGQAPHYLPNQ-FZMZJTMJSA-N 316.492 3.101 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCC[C@]12CCCNC2 1222236853 BYYMXCVXJFOOHY-HNNXBMFYSA-N 315.244 3.417 10 10 DGCE C[C@H](O)c1ccc(N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)cc1Br 2308715675 AGOHZSALKXPWCT-UDVZWPTNSA-N 308.219 3.347 10 10 DGCE CC(=O)N1CCN(N=Nc2cc(Cl)ccc2Cl)CC1 2330199847 LVNQELAKTJYWKC-UHFFFAOYSA-N 301.177 3.156 10 10 DGCE CCOc1cccc(C=C2C(=O)N(CC)N=C2C(F)(F)F)c1 2332116586 FOTOGLMUXHMEHZ-UHFFFAOYSA-N 312.291 3.249 10 10 DGCE CCC[C@](C)(CO)NCc1ccc(C)c(Br)c1O 2327621302 LWBKATXBKRPPFJ-CQSZACIVSA-N 316.239 3.104 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@H]1NC(=O)c1cc(Cl)cc(Cl)n1 2335532047 BBBHQKGVHRBMOW-SFYZADRCSA-N 300.149 3.350 10 10 DGCE COc1ccc(O)c([C@H]2CC(c3ccc(Cl)cc3)=NN2)c1 20390632 IEILCKOQVATJSS-OAHLLOKOSA-N 302.761 3.493 10 10 DGCE CC[C@H](N)c1ccc(N2CCN(Cc3ccccc3)CC2)cc1 304056026 VQMJMKNPBRJABL-FQEVSTJZSA-N 309.457 3.419 10 10 DGCE C[C@H](NCc1ccc(-n2cncn2)cc1)c1ccc(N(C)C)cc1 178742233 GYKOYVUXMHKFRJ-HNNXBMFYSA-N 321.428 3.184 10 10 DGCE Cc1cc(C(=O)OC[C@@]2(C)CCCO2)c(C)n1-c1ccccn1 177260944 DFBJYCTVIVZOJM-GOSISDBHSA-N 314.385 3.215 10 10 DGCE COc1cccc(CNC(=O)[C@@H]2C[C@@H]2c2ccccc2C)c1O 77613930 VXIXWFZSDLDARW-HZPDHXFCSA-N 311.381 3.129 10 10 DGCE CC(C)CN1CCC[C@@H]1CN[C@H](C)c1ccc(F)c(F)c1O 187804191 QIYRLBONSDDXTG-CHWSQXEVSA-N 312.404 3.441 10 10 DGCE CCN[C@@H]1c2cc(F)ccc2OC[C@@H]1Sc1nccs1 2363995676 DCTLBCGIILVTQD-QWHCGFSZSA-N 310.419 3.486 10 10 DGCE C[C@@H](N)c1ccc(N(C)[C@@H]2CCO[C@@H]2C)c(Br)c1 159719421 ZSPCVNMAFNBCTQ-GIPNMCIBSA-N 313.239 3.082 10 10 DGCE CCOc1ccc(O)c(CNC[C@@](C)(O)C2CCCCC2)c1 191672644 KVQRZBFLTZRQBW-GOSISDBHSA-N 307.434 3.212 10 10 DGCE CNCc1ccc(N2CC[C@]3(O)CCCC[C@H]3C2)c(Cl)c1 249861095 ZJWQKWRFLFXLCS-WMLDXEAASA-N 308.853 3.191 10 10 DGCE CN[C@H](c1ccc(N(C)C)cc1)[C@H](O)c1ccc(Cl)s1 2163127424 OTYMDEGHBQCWEN-HUUCEWRRSA-N 310.850 3.462 10 10 DGCE C[C@H]1C[C@@H]1CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 725848617 YZCVVWVOKPVATQ-DZGCQCFKSA-N 303.406 3.331 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCCCC[C@H]1N 825942856 MQZUPHFHAMJPDF-ZWKOTPCHSA-N 317.477 3.009 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H](C)CC(F)F)c1 827160172 LWXLGIDEEOQJMY-NXEZZACHSA-N 316.348 3.052 10 10 DGCE COCC1(C2CCC2)CN(Cc2c(O)ccc(Cl)c2F)C1 827011547 KPJFAYOEVAJECC-UHFFFAOYSA-N 313.800 3.433 10 10 DGCE COc1ccc2c(c1)CCN2Cc1cc(C(F)(F)F)nn1C 824479567 YEVHPSJBYSGDRP-UHFFFAOYSA-N 311.307 3.010 10 10 DGCE CCc1cccc(CN2C[C@H](CC(F)(F)F)O[C@H](C)C2)c1O 827785981 FJNSVYYDUILESI-RISCZKNCSA-N 317.351 3.496 10 10 DGCE CN(C)c1ccc(/C=C\CNC[C@H](CO)c2ccccc2)cc1 835044214 XXTWDGCDEACXIU-LIXSYLKWSA-N 310.441 3.132 10 10 DGCE Cc1ncc(CCNC/C=C/c2ccc(N(C)C)cc2)s1 835041063 JSNFBVIJWWVURO-SNAWJCMRSA-N 301.459 3.363 10 10 DGCE CCN(C)C[C@@H]1CCN(C/C=C\c2ccc(N(C)C)cc2)C1 835027159 BOPKRLAASPNWRN-MJRGOJFPSA-N 301.478 3.039 10 10 DGCE Oc1c(F)cc(Cl)cc1CN[C@H](C1CCOCC1)C1CC1 846042403 LDOZGOLVQWFMEB-HNNXBMFYSA-N 313.800 3.480 10 10 DGCE COc1ccc(CN[C@H](c2ccccc2F)[C@H](C)O)cc1C 846017018 LDJNKGBKRSUKEJ-UGSOOPFHSA-N 303.377 3.354 10 10 DGCE COc1cccc([N+](=O)[O-])c1NCc1ccc(N(C)C)cc1 848642905 DMZZWGAHSPPYLD-UHFFFAOYSA-N 301.346 3.282 10 10 DGCE C[C@H](N[C@H]1CC[C@@H](C)SC1)c1ccc(N2CCOCC2)cc1 848526614 CFNCJTIJEVIVFB-VYDXJSESSA-N 320.502 3.458 10 10 DGCE CCc1noc([C@H]2CC[C@H](NCc3c(O)cccc3Cl)C2)n1 922864196 CADVDUHBGZBVIE-QWRGUYRKSA-N 321.808 3.417 10 10 DGCE C[C@@H]1CN(C/C=C\c2ccc(N(C)C)cc2)CC2(CCC2)O1 843431700 BUBJQFCCUMSJIB-DQOPKJQZSA-N 300.446 3.409 10 10 DGCE Cc1cc(O)c(CNCc2cccc(N(C)C)n2)c(Cl)c1 840907063 MAZSTYNPZHYNJM-UHFFFAOYSA-N 305.809 3.105 10 10 DGCE COC[C@@H](CCN[C@@H](C)c1ccc2ccccc2c1O)OC 850485190 CLFACKOGAOQMRM-DZGCQCFKSA-N 303.402 3.248 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CC12CCCC2 759324692 XYECWOMPYPOSAD-QGZVFWFLSA-N 314.429 3.403 10 10 DGCE CCc1noc([C@H]2CC[C@@H](NCc3ccc(OC)c(C)c3)C2)n1 922871405 FTKYLDOBRHLMPO-LSDHHAIUSA-N 315.417 3.375 10 10 DGCE CC[C@H](CNCc1ccc(N2CCCCC2)cc1)CC(=O)O 756307447 HPNUTIGYJOTHRT-HNNXBMFYSA-N 304.434 3.267 10 10 DGCE O=C(NCCCSc1nccs1)N[C@@H]1CC12CCCC2 759002218 LCLWQXSDJFWLRW-LLVKDONJSA-N 311.476 3.257 10 10 DGCE COc1ccc(O)c([C@@H](C)NC[C@H]2CCC23CCOCC3)c1 866529888 TVLCMASUVVZODM-ZIAGYGMSSA-N 305.418 3.258 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCCC23CC3)c1 868845393 VCSWFNFPALOFPO-NHYWBVRUSA-N 304.390 3.094 10 10 DGCE O=C([C@H]1C[C@@]12CCc1ccccc12)N1Cc2cccc(O)c2C1 871202387 GFQAHPADPZZEBQ-YLJYHZDGSA-N 305.377 3.139 10 10 DGCE Cc1cc(Cl)cc(CN2CCC[C@@H](N3CCCC3)C2)c1O 775659318 VSAKJUWBQZSGKT-MRXNPFEDSA-N 308.853 3.414 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1C[C@@H]2C[C@H]2C[C@@H]1C 1126082405 MGRSNCPIAWBDOJ-JXSMBQFASA-N 300.446 3.359 10 10 DGCE c1cc(N2CCOCC2)ccc1CN[C@@H]1C[C@@H]2CCCC[C@@H]21 883318746 ATNZFDIGELZBQT-YTQUADARSA-N 300.446 3.192 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)CCc1ccoc1 1124623804 XWQAKZYDOOPBFL-UHFFFAOYSA-N 312.413 3.471 10 10 DGCE CC(C)(C)OC(=O)NCC1(NCc2cccc(F)c2O)CCC1 705644290 RWMIYXGKZCADJX-UHFFFAOYSA-N 324.396 3.068 10 10 DGCE C[C@@H](NC(=O)CNc1ccccc1Cl)c1ccccc1O 1171722743 CNNVDUQSDRZPAG-LLVKDONJSA-N 304.777 3.335 10 10 DGCE CN(C)c1ccc(CNC(=O)c2ccc(F)c3cccnc23)cc1 1348910243 NOKMXVNUCHOTRB-UHFFFAOYSA-N 323.371 3.370 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccn(C)c(=O)c2)cc1 1273017013 UXSCFJKOCWMWEY-UHFFFAOYSA-N 321.380 3.045 10 10 DGCE Cc1cc(Br)c(F)c(C(=O)N(C)CCN=[N+]=[N-])c1 1912146491 BYIVGUNXNICTPE-UHFFFAOYSA-N 315.146 3.279 10 10 DGCE CSc1ccc(/C=C\C(=O)NCc2ccc(O)c(O)c2)s1 1445899875 HSQHCUZPURJTHT-UTCJRWHESA-N 321.423 3.211 10 10 DGCE CN(C)c1ccc(CNC(=O)c2cccc3c2OC(C)(C)C3)cc1 1524861907 QRTOBTMZWWYOIW-UHFFFAOYSA-N 324.424 3.396 10 10 DGCE Oc1ccc(Cl)cc1CN[C@@H]1CCOC[C@@H]1C(F)(F)F 1916572873 XAUXTGPYOBETOH-WDEREUQCSA-N 309.715 3.103 10 10 DGCE O=C(NCc1c(O)cccc1O)[C@@H]1C[C@@]12CCCc1ccccc12 1472064340 VDJQFMUNGRGNMC-OXJNMPFZSA-N 323.392 3.008 10 10 DGCE CN(Cc1ccccc1O)C(=O)N[C@@H](CF)c1ccc(F)cc1 1471139663 WMAJAHBVVWOBMN-HNNXBMFYSA-N 320.339 3.384 10 10 DGCE C/C(=C\c1cccnc1)C(=O)N1CCOc2c(F)cc(F)cc21 1616246394 OHGYCXNTTJOAQW-YRNVUSSQSA-N 316.307 3.189 10 10 DGCE Cc1cc2occ(C(=O)NCc3cccc(O)c3O)c2cc1C 1633515559 GIFXRQNNPWJLGF-UHFFFAOYSA-N 311.337 3.391 10 10 DGCE CC[C@]1(F)CCN(c2cc(Br)c(CN)cc2F)C1 1925574162 DVAOGJJRWIOYKD-ZDUSSCGKSA-N 319.193 3.375 10 10 DGCE COc1ccc(Cl)cc1CC(=O)N1Cc2cccc(O)c2C1 1632703167 DKNZNWOAHKALOF-UHFFFAOYSA-N 317.772 3.139 10 10 DGCE O=C(Nc1cccc2c1CCCC2)c1c(F)ccc(O)c1O 1648424773 WXSZISGCGMGEJV-UHFFFAOYSA-N 301.317 3.368 10 10 DGCE CCOc1ccc(N(CCOC[C@H]2CCCO2)CC2CC2)cc1 1648030683 SEQUGBPYMSPGMB-LJQANCHMSA-N 319.445 3.497 10 10 DGCE Cc1cc(C(=O)NCc2c(O)cccc2F)c2ccccc2n1 1646029311 WENSKRRFRHPPKP-UHFFFAOYSA-N 310.328 3.318 10 10 DGCE CC[C@@H](C)Oc1cccc(NC(=O)c2c(F)ccc(O)c2O)n1 1654780222 VVULVPMRXFNREG-SECBINFHSA-N 320.320 3.062 10 10 DGCE CCCN(c1ccc(N)cc1)C1CN(C(=O)OC(C)(C)C)C1 1959573750 XKJHGELMEWULON-UHFFFAOYSA-N 305.422 3.105 10 10 DGCE Cc1ccc(O)c(CNC(=O)NC[C@@H]2C[C@@H]2C2CCCC2)c1 1685785172 HGJMUYGMJIMMIL-GOEBONIOSA-N 302.418 3.326 10 10 DGCE C[C@H]1CN(C)CC[C@@H]1NCc1cc(Cl)cc(Cl)c1O 134407885 YFNQPYHZWINCIK-ZANVPECISA-N 303.233 3.129 10 10 DGCE Cc1cc(C(=O)N(C)[C@@H](C)CO)c(C)n1-c1cccc(Cl)c1 160526598 JYJKUSJPZHHUHI-LBPRGKRZSA-N 320.820 3.200 10 10 DGCE CS[C@@H](C)CCNCc1cc(Br)ccc1O 163764298 UCFVOLSVUUFCAF-VIFPVBQESA-N 304.253 3.386 10 10 DGCE CCN1CCN(c2ccc(CNCC(C)C)cc2Cl)CC1 163930944 CGQWAXRQWFNVIK-UHFFFAOYSA-N 309.885 3.228 10 10 DGCE CNCc1ccc(N2C[C@H]3CCCCN3C[C@@H]2C)c(Cl)c1 164156166 HSAIJTRUEMSZDC-DZGCQCFKSA-N 307.869 3.122 10 10 DGCE CCCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])s2)SC1=S 1858588520 KHPNYFIZDLEOGP-SOFGYWHQSA-N 314.413 3.268 10 10 DGCE Cc1cccc(CNCc2ccc(Br)c(C)n2)c1O 1896292772 MSMLNPZPUUNRHS-UHFFFAOYSA-N 321.218 3.456 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]([C@@H](N)c2ccccc2O)CC1(C)C 1977520034 SUCKOPGYERNHCS-SWLSCSKDSA-N 320.433 3.428 10 10 DGCE CC(C)(C)OC(=O)N1CCCC[C@@H]2[C@@H](Nc3ccc(N)cc3)[C@@H]21 1977666433 MIRMRCNYERGCLB-BZUAXINKSA-N 317.433 3.469 10 10 DGCE CC(C)(C)OC(=O)NCC[C@@H](O)c1ccc(N2CCCC2)cc1 1977933572 FLMNBWVPLYNEAO-MRXNPFEDSA-N 320.433 3.235 10 10 DGCE C[C@@H]1C[C@@H](C)N(c2ccc(N)cc2)CCN1C(=O)OC(C)(C)C 1978641734 HJVYVPKDUOKRRH-ZIAGYGMSSA-N 319.449 3.493 10 10 DGCE CN(Cc1ccc(N)cc1)Cc1csc(Br)n1 2004978721 JDOUGBCPNOXMHT-UHFFFAOYSA-N 312.236 3.120 10 10 DGCE CN(C(=O)OC(C)(C)C)[C@@H]1CN(CCCCN=[N+]=[N-])CC12CC2 1994884208 RNUFMLAGTKIKFI-CYBMUJFWSA-N 323.441 3.408 10 10 DGCE CN[C@@H](C)c1ccc(N2CC(CF)C2)c(Br)c1 1996946009 DSFKTYCITAJOSK-VIFPVBQESA-N 301.203 3.135 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)c1csc(Cl)n1 274421913 DNFBEDLSOQZQFW-UHFFFAOYSA-N 309.822 3.135 10 10 DGCE CC[C@H](C(F)F)N(C)c1ccc(CO)c(Br)c1 2009024589 ZPJOUDDUXYIHDM-LLVKDONJSA-N 308.166 3.421 10 10 DGCE Oc1cc(F)ccc1CNCc1nc(C(F)(F)F)cs1 293614785 MBRBXJYZORUOQK-UHFFFAOYSA-N 306.284 3.296 10 10 DGCE NCc1ccc(N2CCC(CCF)CC2)cc1Br 2027970141 SFZRXJVHMFNJHN-UHFFFAOYSA-N 315.230 3.484 10 10 DGCE NCc1ccc(N2CCO[C@@H](c3ccsc3)C2)cc1Cl 2171860890 VRCXWWULDGVQEO-OAHLLOKOSA-N 308.834 3.438 10 10 DGCE CC(C)N(CCN(C)C)Cc1cc(Cl)cc(Cl)c1O 688958293 PBTKEAZNLFLLGJ-UHFFFAOYSA-N 305.249 3.471 10 10 DGCE C[C@@H](O)c1ccc(N(C)[C@@H](CCO)C(F)(F)F)c(Cl)c1 2178512619 WZDZNTZJCGTUMR-PELKAZGASA-N 311.731 3.143 10 10 DGCE COc1ccc(O)c([C@@H](C)n2nc(C3CC3)cc2CN(C)C)c1 2070144650 MJCMANTYNVBCOA-GFCCVEGCSA-N 315.417 3.146 10 10 DGCE COc1ccc(Cn2nc(C3CCC3)c(C(F)F)c2N)c(O)c1 2079716114 UJVXTALIWDCQQR-UHFFFAOYSA-N 323.343 3.433 10 10 DGCE Cc1c(C(F)(F)F)nn(Cc2cccc(Cl)c2O)c1N 2079789846 VOKFSWCYMDFQOD-UHFFFAOYSA-N 305.687 3.200 10 10 DGCE CN(c1ccc(CN)c(F)c1)[C@@H]1CS[C@H](C(F)(F)F)C1 2189456013 ZCIVKNHNETVRFN-JQWIXIFHSA-N 308.344 3.157 10 10 DGCE C[C@@H]1C(CN(C)c2cc(Br)c(CN)cc2F)[C@H]1C 2043300417 IJBMCJWILFMZHU-IUCAKERBSA-N 315.230 3.385 10 10 DGCE C[C@H]1CC[C@H](CNCc2ccc(Br)cc2O)OC1 2053742710 SOXSAZCVDJHZNV-GXFFZTMASA-N 314.223 3.059 10 10 DGCE C[C@@H]1OCC[C@@H]1CN(C)Cc1c(O)cccc1Br 2057474617 ILUPQCJSAOHRQZ-WDEREUQCSA-N 314.223 3.012 10 10 DGCE CCN1CCc2cc([C@@H](N)c3cocc3Br)ccc21 2270486985 AWLYHFANZSAJMW-OAHLLOKOSA-N 321.218 3.473 10 10 DGCE NCc1ccc(N2CCC[C@@H](OC(F)(F)F)C2)cc1Cl 2239150332 SNDLGTAPIPIJDH-LLVKDONJSA-N 308.731 3.304 10 10 DGCE CS(=O)(=O)c1cscc1NCc1cc(Cl)ccc1O 2272714297 XGQRJDCFADHQAQ-UHFFFAOYSA-N 317.819 3.123 10 10 DGCE CCc1nc(Cl)c(C)c(=NCc2cnc(SC)s2)[nH]1 2269279814 SAYDINUPMNECLT-UHFFFAOYSA-N 314.867 3.213 10 10 DGCE CSc1ncc(CN2CCCNC3(CCCCC3)C2)s1 2284678754 YHJABFCDZJWZSP-UHFFFAOYSA-N 311.520 3.363 10 10 DGCE C[C@H](NC(=O)C=Cc1ccc(O)c(O)c1)c1ccc(F)c(F)c1 2307982298 YOZXQVPICFYMKZ-JTQLQIEISA-N 319.307 3.267 10 10 DGCE COc1cccc(CN[C@@H](C)CN(C)Cc2ccccc2)c1O 309877944 IPVIUEBUXHDAHR-HNNXBMFYSA-N 314.429 3.011 10 10 DGCE COCCNCc1ccc(N(C)Cc2ccsc2)c(F)c1 62735741 NZBVMIWDPXMTEZ-UHFFFAOYSA-N 308.422 3.260 10 10 DGCE COC(=O)Cc1nc2cc(C)ccn2c1/N=N\c1ccccc1O 71583280 CFRQCYOEXRFGMN-VXPUYCOJSA-N 324.340 3.479 10 10 DGCE C[C@H]1CN(c2ccc([C@H](C)N)cc2Br)[C@@H](C)CO1 217474864 YGKQBZDYTCPKSZ-DCAQKATOSA-N 313.239 3.082 10 10 DGCE Cc1cc(NS(=O)(=O)[C@H]2CCCC[C@@H]2F)cc(C)c1O 2366472987 XKZMGUZOINQJFG-STQMWFEESA-N 301.383 3.031 10 10 DGCE CCO[C@@]1(C)C[C@H]1NCc1cc(C)cc(Br)c1O 527783545 YXWTWKBPQJLSDN-OCCSQVGLSA-N 314.223 3.120 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCOC[C@H]2C)cc1 278347816 AQJUIXWHDULERV-FZKQIMNGSA-N 312.413 3.249 10 10 DGCE CN[C@H](c1ccc(N(C)C)cc1)[C@@H](O)c1csc(Cl)c1 2163134251 WNFGLSVYRYJHTH-CABCVRRESA-N 310.850 3.462 10 10 DGCE COc1cc(Br)cc(CNC2C[C@@H]3C[C@H]3C2)c1O 818238837 OLOJUBPOEJMDNU-IUCAKERBSA-N 312.207 3.051 10 10 DGCE C[C@H](N[C@@H]1CCNC[C@H]1C)c1ccc(N2CCCCC2)cc1 817971196 KKEHYUWFIWEFMY-JTDSTZFVSA-N 301.478 3.326 10 10 DGCE CCO[C@@H]1CCC[C@H](N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1 903047980 VGLKTBFORCFLLY-FRQCXROJSA-N 318.461 3.211 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)NCCCC(C)(F)F)c1 836502382 DKWFLSMLGMTZJS-JTQLQIEISA-N 316.348 3.196 10 10 DGCE CN(C)c1ccc(/C=C/CNCCCCN(C)C2CC2)cc1 835062862 FTRCPUFPQUNMBH-VOTSOKGWSA-N 301.478 3.230 10 10 DGCE Cc1ocnc1CNC(=O)Cc1cc(C)n(-c2ccccc2)c1C 831392590 DZQIHBBWCVNFJZ-UHFFFAOYSA-N 323.396 3.249 10 10 DGCE CC[C@@H](NCc1ccc(N(C)C)cc1)c1c(C)nn(C)c1C 742388575 YXEXDXCBEWAVJW-QGZVFWFLSA-N 300.450 3.344 10 10 DGCE Oc1ccc(F)cc1CN1CCC2(CC1)C(F)(F)C2(F)F 846016163 TZPWERQDXJFYTC-UHFFFAOYSA-N 307.262 3.398 10 10 DGCE Cc1cc(N(C)C)ccc1CN[C@H](C)[C@@](C)(O)c1ccccc1 846043061 JIJFZTRUGODAHK-OXQOHEQNSA-N 312.457 3.447 10 10 DGCE Cc1cc(O)c(CNC[C@]2(O)CCc3ccccc32)c(Cl)c1 840907684 PFKGSWLOYPDUEY-GOSISDBHSA-N 317.816 3.278 10 10 DGCE Cc1ccc([C@H](C)NC[C@@]2(C(F)(F)F)CCCN2)c(O)c1 925852758 GHNPVBVFGCRJIM-SMDDNHRTSA-N 302.340 3.036 10 10 DGCE FC(F)(F)[C@@H]1CC[C@@H](CCNCc2ccc3c(c2)CCO3)O1 922679833 RMSJWUKIORINBT-ZFWWWQNUSA-N 315.335 3.211 10 10 DGCE Nc1ccc(CCNC(=O)C[C@]23CCCC[C@@H]2C3(F)F)cc1 851632523 RHVYAZJNUWLQNK-GOEBONIOSA-N 308.372 3.143 10 10 DGCE COc1cc(CN2C[C@@H]3COC[C@]3(C)C2)c(O)c(C(C)(C)C)c1 853566319 NXMCCOMSQLQGPH-KUHUBIRLSA-N 319.445 3.167 10 10 DGCE C[C@@H](NCc1nc2c(s1)COCC2)c1ccc(Cl)cc1O 927119336 VCHFXQMCWATDOP-SECBINFHSA-N 324.833 3.426 10 10 DGCE c1cc(N2CCOCC2)ccc1CNC[C@@H]1CCC[C@@H]2C[C@H]12 850378321 YNHMZXXDYLEJRM-AOIWGVFYSA-N 300.446 3.049 10 10 DGCE CCOCc1cc(CNC[C@@H]2CCC[C@@H](C)O2)ccc1OC 850379687 VLHGFFDOUOHJOH-PBHICJAKSA-N 307.434 3.279 10 10 DGCE CCOC(=O)C1=CC[C@H](N[C@@H]2C[C@H](C)c3c(F)ccc(O)c32)C1 858505487 LCORRNSTACVUME-VHRBIJSZSA-N 319.376 3.321 10 10 DGCE C[C@H](CNCc1cc(Br)ccc1O)C(F)(F)F 697715000 AJUKCJZCQWQFAN-SSDOTTSWSA-N 312.129 3.443 10 10 DGCE COc1cc(Br)cc([C@@H](N)c2ccccc2)c1O 757132618 HUZROAKGSAXSHU-ZDUSSCGKSA-N 308.175 3.211 10 10 DGCE C[C@@H](NC[C@@H]1C[C@H]1C1CCOCC1)c1ccc(N(C)C)cc1 866536303 CURWPYOCMDOKLW-LJHODMEESA-N 302.462 3.466 10 10 DGCE C[C@H](NCc1nn(C)cc1C(F)F)c1ccc(N(C)C)cc1 866563751 QGGARJBFTSZWSQ-NSHDSACASA-N 308.376 3.275 10 10 DGCE C[C@@H](NC1([C@@H]2CCCCO2)CCC1)c1cc([N+](=O)[O-])ccc1O 866622593 HKNAVWNSQNHZHL-WBMJQRKESA-N 320.389 3.443 10 10 DGCE C[C@H](NC(=O)NCC(C)(C)C(F)(F)F)c1ccccc1O 868587333 UOWHRBVDRFHOEX-VIFPVBQESA-N 304.312 3.341 10 10 DGCE C[C@@H](NCCc1cn(C)c2ncccc12)c1ccc(F)cc1O 866572532 BXJGLYXXVVAOOO-GFCCVEGCSA-N 313.376 3.311 10 10 DGCE COc1cccc(CNC(=O)c2nc(C(C)(C)C)cs2)c1O 866764270 RRCVXNJCOJFYSN-UHFFFAOYSA-N 320.414 3.085 10 10 DGCE CSCCCCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 773305120 HNGVWCVDZAMJFU-ZDUSSCGKSA-N 309.479 3.256 10 10 DGCE O=C(c1ccn(C2CCCCC2)n1)N1Cc2cccc(O)c2C1 871205095 WCJMXOSRZUVKEO-UHFFFAOYSA-N 311.385 3.250 10 10 DGCE Oc1cccc(Cl)c1CNC[C@H]1CC[C@H](C(F)(F)F)O1 722405554 XIAOXEJJXFKUPU-PRHODGIISA-N 309.715 3.245 10 10 DGCE COc1cc(C)cc(CN2CC[C@@H](C(F)(F)F)[C@H]2C)c1O 794659147 LMHBKJYFTMOUQX-ZYHUDNBSSA-N 303.324 3.482 10 10 DGCE Cc1ccc(C(=O)Nc2ccccc2-c2cc[nH]n2)c(O)c1O 1143827841 DJMZEYJVHMNWBU-UHFFFAOYSA-N 309.325 3.049 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(N)cc2)C12CC2 1959353926 VYFKAIUWRFPBSN-AWEZNQCLSA-N 303.406 3.223 10 10 DGCE [N-]=[N+]=NCCCCNC(=O)C=Cc1ccc(Br)o1 1911824748 XYYHBBBKGRELKE-UHFFFAOYSA-N 313.155 3.262 10 10 DGCE C[C@H](O)CN(Cc1ccccc1)c1ccc([C@@H](C)O)cc1F 1914611725 VYNVRRLSAPSNSE-UONOGXRCSA-N 303.377 3.266 10 10 DGCE O=C(NCc1ccc(O)cc1O)c1ccsc1C(F)(F)F 1299574317 PIDCDMJGOWVNTE-UHFFFAOYSA-N 317.288 3.108 10 10 DGCE O=C(CSc1ccc(F)cc1)NCc1c(O)cccc1F 1456102734 UQAGWXLLTCZFPL-UHFFFAOYSA-N 309.337 3.079 10 10 DGCE COc1ccc2c(c1)CN(C(=O)c1ccc(N=NC(N)=O)cc1)C2 1452384586 SBVFDZWGKMTDJF-UHFFFAOYSA-N 324.340 3.014 10 10 DGCE Cc1cc(C(=O)NCc2cccc(Cl)c2O)c(N)cc1F 1606868304 NBMRMWICGRRVEN-UHFFFAOYSA-N 308.740 3.005 10 10 DGCE O=C(Nc1c(Cl)ccc2nonc12)c1cnc2cc[nH]c2c1 1539054653 XFJSUGKMEIHDDN-UHFFFAOYSA-N 313.704 3.005 10 10 DGCE c1cc2c(cc1CN[C@H]1CCN(CC3CCCC3)C1)CCCO2 1474030764 NKCJZPKZTNNVSA-IBGZPJMESA-N 314.473 3.366 10 10 DGCE O=C(N[C@H]1C[C@H](c2ccc(F)cc2F)C1)c1cccc(O)c1O 1472079042 YVMJCOPIDJHUSO-HOMQSWHASA-N 319.307 3.052 10 10 DGCE CC[C@H](C)[C@@H](O)CNC(=O)c1ccc(-n2c(C)ccc2C)cc1 1629989655 CLEHKYDGJZENAF-UGSOOPFHSA-N 314.429 3.231 10 10 DGCE Cc1cccc(-n2c(C)cc(C(=O)N3N[C@H]4CC[C@H]3C4)c2C)c1 1633033172 NEOQWIOLRFFELH-RDJZCZTQSA-N 309.413 3.284 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[C@@H](N)c1ccccc1O 1928476065 FUZCLZFWBXDYSL-NJZAAPMLSA-N 306.406 3.085 10 10 DGCE CC[C@H](Oc1ccccc1C)C(=O)NCc1c(O)cccc1F 1645048330 QHSREBNWMGOVGJ-INIZCTEOSA-N 317.360 3.314 10 10 DGCE CC(C)N1CCCC[C@@H]1CN1CCOc2cc(N(C)C)ccc21 1645147949 NWRFRBGBSXOIGY-QGZVFWFLSA-N 317.477 3.214 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)N[C@@H](CO)C(C)C)c1 1649034628 NDCXBSNDDSVZMO-KRWDZBQOSA-N 314.429 3.149 10 10 DGCE Cc1cc(CN2CC[C@@H](C)[C@@H](CO)C2)ccc1N1CCCCC1 1659535563 AMLRKDQUJCGBTR-VQIMIIECSA-N 316.489 3.436 10 10 DGCE CC(C)(C)c1ccc(CNC(=O)c2c(F)ccc(O)c2O)o1 1654776735 RCFZZPCMWVGSNC-UHFFFAOYSA-N 307.321 3.057 10 10 DGCE C[C@H]1CN(CCCN=[N+]=[N-])C(C)(C)CN1C(=O)OC(C)(C)C 1962297727 ACMDAKLTRLFYPS-LBPRGKRZSA-N 311.430 3.407 10 10 DGCE CCC1(F)CN(c2ccc([C@@H](C)N)c(Br)c2)C1 1944800278 XWMNPLCVRFMMRB-SECBINFHSA-N 301.203 3.407 10 10 DGCE Nc1cccc(Br)c1N[C@@H]1CCC2(CCNCC2)C1 1876314615 DGSBUCCHVRWOTP-LLVKDONJSA-N 324.266 3.366 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(N)cc1 1977942009 GRSKNYRMKCCZIR-CVEARBPZSA-N 317.433 3.247 10 10 DGCE Cc1cc(C)cc(S(=O)(=O)Nc2ccc(O)cc2Cl)c1 2145852426 YEDNDAFMJKOOLB-UHFFFAOYSA-N 311.790 3.463 10 10 DGCE CC(C)(C)OC(=O)N1[C@H]([C@H](N)c2ccccc2O)[C@H]2CC[C@@H]1C2 1982519055 UJNVEEGFILRYCD-OJDYBEQGSA-N 318.417 3.180 10 10 DGCE O[C@H]1CCCc2cc(N(Cc3ccccc3)C3COC3)ccc21 1986600582 NYRROPCBHAAKSH-FQEVSTJZSA-N 309.409 3.462 10 10 DGCE Oc1c(CN[C@H]2CCC=C2Br)ccc(F)c1F 2020058849 IVJMZKIWOMXTLG-JTQLQIEISA-N 304.134 3.201 10 10 DGCE C[C@H](N[C@H]1CC[C@@H](O)CC1)c1cccc(C(F)(F)F)c1O 2064783685 NVIGGBIPJRHITN-GARJFASQSA-N 303.324 3.365 10 10 DGCE COc1cc2c(cc1OC)N(C[C@]1(Cl)CC1(F)F)CC2 2205672447 SHZFAMYAYBTBBW-CYBMUJFWSA-N 303.736 3.083 10 10 DGCE CSc1ncc(CN[C@@H]2CCCC3(CC2)OCCO3)s1 2208766214 JPBZQDSTLOVVMJ-LLVKDONJSA-N 314.476 3.030 10 10 DGCE Cc1cccc(CN=c2c(F)c[nH]cc2Br)c1O 2219367316 BFDNZWNMNXJOSI-UHFFFAOYSA-N 311.154 3.031 10 10 DGCE CN[C@H](C)c1ccc(N2CC[C@@H](OC(F)F)C2)cc1Cl 2238877554 FUWCIJAONZWWGB-MWLCHTKSSA-N 304.768 3.438 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H](Nc2ccc(N)cc2)C2(CCC2)C1 2242631333 GGEORPMMKUXYNC-OAHLLOKOSA-N 317.433 3.470 10 10 DGCE C[C@@H](CNC(C)(C)C)NCc1cc(Br)ccc1O 2256017340 RHRYOTDCIKIVMZ-JTQLQIEISA-N 315.255 3.021 10 10 DGCE CC(C)CC1=NN2C(=N)C(=Cc3cccs3)C(=O)N=C2S1 2294593281 UGADEAMSDZPWDL-UHFFFAOYSA-N 318.427 3.413 10 10 DGCE CCc1ccc(C=CC(=O)N[C@@H](C)c2cc(OC)ccc2O)o1 2309030356 JXPFHXYQLXEVDU-LBPRGKRZSA-N 315.369 3.447 10 10 DGCE Cc1ccc(CO)c(OCCCN=[N+]=[N-])c1Br 2307446847 OHVYDHOYQDAWMN-UHFFFAOYSA-N 300.156 3.329 10 10 DGCE Cc1ccc(CN2C[C@@H](F)C[C@H]2C)c(O)c1Br 2307572260 ULOSTJYZVRNMMO-KOLCDFICSA-N 302.187 3.395 10 10 DGCE CCCN1N=C(C(F)(F)F)C(=Cc2ccccc2OC)C1=O 2332143625 UBJORDGRCYOOKL-UHFFFAOYSA-N 312.291 3.249 10 10 DGCE CCc1cc2c(=O)n3c(nc2s1)/C(=C/c1cccnc1)CC3 7586216 AZAXHEOFNPRRAM-XYOKQWHBSA-N 309.394 3.360 10 10 DGCE CCOc1ccc(O)c(CN(C)Cc2ccc(Cl)nc2)c1 125758275 MSLLKGSPZPFYON-UHFFFAOYSA-N 306.793 3.471 10 10 DGCE CC(C)c1nnc2n1CCN(Cc1ccc(N(C)C)cc1)[C@H]2C 188449628 OGSGPUNPDGSSPC-AWEZNQCLSA-N 313.449 3.044 10 10 DGCE CC[C@H](C)N(CCOC)c1ccc(CN)cc1Br 212995865 VGJHSZQIHXBDTP-NSHDSACASA-N 315.255 3.159 10 10 DGCE C[C@@H](c1cccs1)N(C)CCC(=O)Nc1ccc(N)cc1 49725935 SLNCBIZNBJRBHC-LBPRGKRZSA-N 303.431 3.352 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1NCc1cc(F)ccc1O 232493942 IGYHGSZLJRXEJK-UONOGXRCSA-N 324.396 3.067 10 10 DGCE N[C@H](c1c(Br)ccc(Cl)c1O)C(F)(F)F 95706519 UEBKZUOJXXBXOZ-SSDOTTSWSA-N 304.493 3.370 10 10 DGCE C[C@H]1CN2CCC[C@H]2CN1c1ccc(OC(F)(F)F)cc1 251858498 SEQTZRUVUJUOGO-AAEUAGOBSA-N 300.324 3.258 10 10 DGCE C[C@@H]1CN([C@H](C)c2cc(Br)ccc2O)C[C@@H](C)O1 251725088 QBVILXPXNABSTA-GMTAPVOTSA-N 314.223 3.325 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@H]1CCNC12CCC2 530179092 SXBCKQVIAZXPAD-LBPRGKRZSA-N 301.217 3.073 10 10 DGCE C[C@@H](O)C(C)(C)NCc1ccc(OCc2ccccc2)cc1O 273183311 OQCJDCGDDYSWOM-CQSZACIVSA-N 315.413 3.220 10 10 DGCE COCC[C@H]1CCCCN(Cc2cc(F)cc(C(C)=O)c2O)C1 372101316 GYHQRTMLGWGUQK-CQSZACIVSA-N 323.408 3.373 10 10 DGCE CO[C@@H]1C[C@@H]2C[C@@H](NCc3ccc4c(c3)CCCN4C)C[C@@H]2C1 818330181 PDUACIKXCWVXLC-MKQMEDFFSA-N 314.473 3.362 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCC(c3cnc[nH]3)CC2)cc1 835030219 VRPNZVDBSPCLLA-ARJAWSKDSA-N 310.445 3.369 10 10 DGCE CN(C)c1ccc(/C=C/CN(CCCO)CC(F)(F)F)cc1 835027391 LKJDKCGYHJKIIM-HWKANZROSA-N 316.367 3.013 10 10 DGCE CCC[C@H](C)[C@@H](CO)NCc1cc(Br)ccc1O 846016803 JTCOTISKRLTAQO-GXFFZTMASA-N 316.239 3.041 10 10 DGCE COc1cc(Br)cc([C@H](C)NC[C@H]2C[C@@H]2C)c1O 848526956 MXEVIKPKYFJZPP-LPEHRKFASA-N 314.223 3.470 10 10 DGCE Cc1cc(O)c(CN2CC[C@@H](N3CCCC3)[C@H]2C)c(Cl)c1 840945997 FELNHNXLAMFXCT-CZUORRHYSA-N 308.853 3.413 10 10 DGCE COc1cccc(CNC(=S)Nc2cc(C)cc(C)c2)n1 748044966 RTRLOCOYRLZWTM-UHFFFAOYSA-N 301.415 3.194 10 10 DGCE C[C@H](N[C@H](c1ccccc1F)[C@H](C)O)c1cc(F)ccc1O 846185113 ZTMNXRNBGYJHMJ-DINDLPBHSA-N 307.340 3.443 10 10 DGCE CC[C@@H](N[C@H]1C[C@@](C)(O)C1)c1ccc(C(F)(F)F)cc1O 841760643 WZCGZZNUYWKICJ-QKCSRTOESA-N 303.324 3.365 10 10 DGCE COc1ccc(N2CC[C@@H](NCc3cccnc3Cl)C2)cc1 850345629 GMDFMAMPJLSKLB-CQSZACIVSA-N 317.820 3.112 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@@H](C)CC3CCOCC3)C2)cc1 850486169 ABAAYYIZYIZAKD-DOTOQJQBSA-N 318.461 3.069 10 10 DGCE CCc1nc([C@@H](C)N(C)Cc2ccc(N(CC)CC)cc2)n[nH]1 851716519 NXZADRXLGNWDNF-CQSZACIVSA-N 315.465 3.406 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CO[C@@H](CCCc2ccc(N)cc2)C1 1952908336 CTDMVQASWLTTGH-HOTGVXAUSA-N 320.433 3.274 10 10 DGCE COc1ccc(O)c([C@@H](C)N[C@H](CO)c2sccc2C)c1 756736006 KKTQOCIMUKFRPD-BXUZGUMPSA-N 307.415 3.155 10 10 DGCE C[C@H]1C[C@@H](NCc2cc(Cl)cc(Cl)c2O)c2ncnn21 850352282 QYXZYWBWEHEYAH-WRWORJQWSA-N 313.188 3.086 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)C1(C(F)(F)F)CCC1 862026339 KYCKQHGPBYBRKI-UHFFFAOYSA-N 324.302 3.289 10 10 DGCE CN(C)c1cc(F)c(CN2CCC[C@H]3COCC[C@@H]32)cc1F 862252414 TWJVLSKDOZJSIH-LRDDRELGSA-N 310.388 3.032 10 10 DGCE C[C@H](NC(=O)N1CC[C@H](C)[C@H](F)C1)c1ccc(N(C)C)cc1 773616378 JUYDCYOSXOEWSS-HEHGZKQESA-N 307.413 3.203 10 10 DGCE Cc1sccc1CC(=O)NCc1ccc(N(C)C)c(F)c1 786848144 HVUPHKYLBZOEDI-UHFFFAOYSA-N 306.406 3.121 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)C[C@H]1CC(C)(C)CO1 896056147 CWTCJIGKTKJHJA-HNNXBMFYSA-N 305.418 3.336 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)C[C@@H]1CC(C)(C)CO1 896056149 CWTCJIGKTKJHJA-OAHLLOKOSA-N 305.418 3.336 10 10 DGCE O=C(CCSCc1ccccc1)NCc1ccc(O)cc1O 1142532942 ABFGWQSKQSTLPC-UHFFFAOYSA-N 317.410 3.038 10 10 DGCE [N-]=[N+]=N[C@H]1CCN(C(=O)c2ccc(F)cc2Br)C1 1912184928 JXMULZOFEAKZSS-QMMMGPOBSA-N 313.130 3.113 10 10 DGCE [N-]=[N+]=NCCCN[C@H](C(=O)O)c1c(F)ccc(Cl)c1F 1912182251 ZGUYWJKJBOHIQP-JTQLQIEISA-N 304.684 3.034 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H]1c1cccs1 1440365635 ASHGIUUGJPEDDQ-LBPRGKRZSA-N 303.383 3.066 10 10 DGCE O=C(/C=C/c1ccnc(Cl)c1)NCc1cc(Cl)ccc1O 1469876279 DSSQJJKEYZKHMV-DAFODLJHSA-N 323.179 3.424 10 10 DGCE Cc1ccc(O)c(CNC(=O)NC[C@@H]2C[C@H]3C=C[C@H]2CC3)c1 1636301340 YYUCOOPTBNVZEU-KKUMJFAQSA-N 300.402 3.102 10 10 DGCE CON(Cc1ccc(C)o1)Cc1cc(F)cc(C(C)=O)c1O 1560158054 AAGDSMPQJKMSIH-UHFFFAOYSA-N 307.321 3.199 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)N[C@@H]1C[C@@H]2CCCC[C@@H]21 1565279747 IZHBCKGPBWZUGY-LEWSCRJBSA-N 308.809 3.424 10 10 DGCE Cc1nnccc1C(=O)NCc1cc(C)n(-c2ccccc2)c1C 1648611517 FLYXXYLIFFRHEF-UHFFFAOYSA-N 320.396 3.123 10 10 DGCE C[C@H](CO)[C@](C)(NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1927333527 GTYKPOXXIXWVSL-ACJLOTCBSA-N 322.449 3.121 10 10 DGCE CN[C@H](c1ccccc1O)C1(NC(=O)OC(C)(C)C)CCC1 1928474205 KAQFLOKKVKNJTD-CQSZACIVSA-N 306.406 3.100 10 10 DGCE CC[C@H](Oc1ccccc1F)C(=O)NCc1c(O)cccc1F 1652295698 PSBBVLSSSBSAMB-HNNXBMFYSA-N 321.323 3.144 10 10 DGCE C[C@H](NC(=O)NCCC1CC=CC1)c1ccc(N(C)C)cc1 1681552243 MTAUZFAKMFCXNH-AWEZNQCLSA-N 301.434 3.469 10 10 DGCE CCC1(CC)[C@@H](NC(=O)NCc2cc(C)ccc2O)C[C@@H]1OC 1680882767 SIAGCMHQFXEBSP-HOTGVXAUSA-N 320.433 3.094 10 10 DGCE CCNCc1ccc(N(C)[C@@H](C)COC)c(C(F)(F)F)c1 163694604 QTUFDVVHZZOILD-NSHDSACASA-N 304.356 3.286 10 10 DGCE CSC(C)(C)CN[C@H](C)c1ccc(N2CCC(O)CC2)cc1 154213875 KZUMBZXZEYMXQD-CQSZACIVSA-N 322.518 3.440 10 10 DGCE CCOc1ccc(/N=N/N2CCN(CC)CC2)cc1OCC 1860487791 NXAABHJELUVNQO-ISLYRVAYSA-N 306.410 3.120 10 10 DGCE CC(C)(C)OC(=O)N[C@@](C)(C[C@@H](N)c1ccccc1O)C1CC1 1936972628 GPDOUKGHGPMSLG-KDOFPFPSSA-N 320.433 3.476 10 10 DGCE Oc1cccc(Br)c1CNC[C@H]1C[C@]12CC2(F)F 1876070288 RUUJGRXXJAGNMW-PELKAZGASA-N 318.161 3.290 10 10 DGCE C[C@H]1CCCN(CCN=[N+]=[N-])[C@@H]1CCNC(=O)OC(C)(C)C 1962305512 SUEWFCGQKNCSLP-QWHCGFSZSA-N 311.430 3.312 10 10 DGCE Oc1cccc(CNCc2cscc2Br)c1O 1948479110 SKEWAKDPNIWAOC-UHFFFAOYSA-N 314.204 3.212 10 10 DGCE C[C@@H]1C[C@H](CNCc2ccccc2O)CN1C(=O)OC(C)(C)C 1967774539 DPJSNRTUONDDOP-ZIAGYGMSSA-N 320.433 3.127 10 10 DGCE CN(CC[C@@H]1CCCO1)Cc1cccc(Br)c1O 1972185177 VSNJNMIVHBUNBP-LBPRGKRZSA-N 314.223 3.156 10 10 DGCE CC(C)(C)OC(=O)N1CCCC[C@H]2[C@H]1[C@@H]2Nc1ccccc1N 1977667181 WRRLWWBQMBHNMG-WQVCFCJDSA-N 317.433 3.469 10 10 DGCE CCCNCc1ccc(N2C[C@H](F)[C@@H](OC)C2)c(Cl)c1 2146485405 VQDIPORKQJIZFS-ZFWWWQNUSA-N 300.805 3.013 10 10 DGCE CC(C)(C)OC(=O)NCC1(F)CC(COc2ccc(N)cc2)C1 1992432241 HLNCRFANNTVIDL-UHFFFAOYSA-N 324.396 3.291 10 10 DGCE C[C@H]1CN(Cc2ccccc2)CC[C@@]1(O)c1ccc(N(C)C)cc1 1999505023 MTYBKCKZXXZSJA-UWJYYQICSA-N 324.468 3.482 10 10 DGCE CNCc1ccc(N(C)CC2(Br)CC2)c(Cl)c1 2020224681 HUIMRQGAQJLBJT-UHFFFAOYSA-N 317.658 3.423 10 10 DGCE C[C@@H](N)c1ccc(N2CCO[C@@H](C(F)F)CC2)c(Cl)c1 687573097 XVFBUXQVAMGFHY-NOZJJQNGSA-N 304.768 3.220 10 10 DGCE OCc1ccc(N2CCO[C@@H](c3ccsc3)C2)cc1Cl 2171856972 GCDQMARMXJCIIL-OAHLLOKOSA-N 309.818 3.472 10 10 DGCE CN1C[C@@H](NCc2cc(Cl)cc(Cl)c2O)CC1(C)C 694098492 NBMIRDSFFOXAIG-NSHDSACASA-N 303.233 3.271 10 10 DGCE CO[C@@H]1C[C@@H](N(C)c2cc(Cl)c(CN)cc2F)C1(C)C 2177384998 GTHLRCSMWZUZGI-ZIAGYGMSSA-N 300.805 3.188 10 10 DGCE CCCN[C@H](C)c1ccc(N(C)CC[S@](C)=O)c(Cl)c1 398986574 DHBAUIVHNPFJNZ-ODXCJYRJSA-N 316.898 3.215 10 10 DGCE C[C@H](N)c1ccc(N(C)[C@H](CCO)C(F)(F)F)c(Cl)c1 2178513253 RIHDEALXCQSVIZ-QPUJVOFHSA-N 310.747 3.109 10 10 DGCE Cc1c(C(C)C)nn(Cc2cc(Br)ccc2O)c1N 2079736958 ITRFIWPXQKAEAS-UHFFFAOYSA-N 324.222 3.414 10 10 DGCE CNCc1ccc(N2CC[C@H](CCF)C2)cc1Br 2047231017 RVPAUJVDCCDORR-NSHDSACASA-N 315.230 3.354 10 10 DGCE C[C@@H]1CC[C@H](CN(C)Cc2cccc(Br)c2O)O1 2075385377 OUWSKECRVNVVAH-ZYHUDNBSSA-N 314.223 3.154 10 10 DGCE Nc1ccc(CC(=O)Nc2cccc(F)c2Br)cc1 2089771145 UWRXZBXIEGGGJF-UHFFFAOYSA-N 323.165 3.352 10 10 DGCE CN1CCc2cc([C@@H](N)c3cccc(Br)c3)ccc21 2098449139 LBTBCDTYQVOBES-INIZCTEOSA-N 317.230 3.490 10 10 DGCE COc1cc2c(cc1OC)N(CC(C)=CBr)CC2 2219393434 HOYLJUDTLQFYJZ-UHFFFAOYSA-N 312.207 3.365 10 10 DGCE CC[C@@H](C)NCc1cc(F)c(N2CCSCC2)c(F)c1 2240018797 ICPZZLSLKOEREC-LLVKDONJSA-N 300.418 3.406 10 10 DGCE CCOc1cccc(CNCc2cnc(SC)s2)c1O 2284690067 PMMLQZKPZJPQBE-UHFFFAOYSA-N 310.444 3.259 10 10 DGCE Cc1cc(N2CC3(CN(Cc4ccccc4)C3)C2)ccc1[C@@H](C)O 2248960512 HEJXWDORWSCYFL-QGZVFWFLSA-N 322.452 3.371 10 10 DGCE CC(F)(F)c1cnc(Sc2ncccc2C(=O)O)s1 2264505798 BUNBZCOWKBLBDO-UHFFFAOYSA-N 302.327 3.499 10 10 DGCE OCc1ccc(N2C[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2)c(Br)c1 2264967558 KVMHHCCNWSHTPL-CRWXNKLISA-N 322.246 3.424 10 10 DGCE CCN[C@H](C)c1cnc(SCC2(OC)CCOCC2)s1 2280285833 LIXJLZJNHWJFLN-LLVKDONJSA-N 316.492 3.101 10 10 DGCE Oc1ccc(CNc2c(F)cc(Cl)cc2F)c(O)c1O 2281532447 RNCSFIISKUBDTP-UHFFFAOYSA-N 301.676 3.347 10 10 DGCE Cc1ccc(CN2C[C@H](C)CCC2=O)c(O)c1Br 2327602338 HKILLIXKWBGAIT-SECBINFHSA-N 312.207 3.222 10 10 DGCE Cc1ccc(Cn2cnc(C3CCC3)n2)c(O)c1Br 2352664526 WBNGUPTWIOOPMM-UHFFFAOYSA-N 322.206 3.370 10 10 DGCE C[C@H](OCc1ccccc1Cl)C(=O)Nc1ccc(N)cc1 20009288 KCQHFBQQROIWLG-NSHDSACASA-N 304.777 3.466 10 10 DGCE CC(C)[C@H](C)CNC(=O)NCCCSc1nccs1 177834207 IXFBWIPRKLFSRE-LLVKDONJSA-N 301.481 3.217 10 10 DGCE Cc1cccc2nc(CN[C@@H](C)c3ccc(F)c(F)c3O)cn12 187713579 GQTDXNNEJOMSLV-NSHDSACASA-N 317.339 3.477 10 10 DGCE Cc1nc(CC(C)C)oc1C(=O)NCc1ccc(N(C)C)cc1 188370390 PZWFHAJYLYNQOR-UHFFFAOYSA-N 315.417 3.178 10 10 DGCE Cc1cc(-c2nnc(CN(C)Cc3ccccc3O)o2)c(C)o1 89912286 SDPHOKVQSAZIPZ-UHFFFAOYSA-N 313.357 3.284 10 10 DGCE CN(Cc1ccc(OCc2ccccc2)cc1O)[C@H]1CCOC1 273497470 NLMRQQYYZOCXSZ-KRWDZBQOSA-N 313.397 3.192 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)[C@H]1CCCC[C@H]1OC 293376479 MKOIRPRTLDKXKC-DOTOQJQBSA-N 305.418 3.336 10 10 DGCE OC[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)c2ccccc21 293857145 ICCPDDPUXNEBKH-NSHDSACASA-N 307.752 3.281 10 10 DGCE C[C@@H]1CC[C@@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1O 805866060 FWYCMWWJEYZGMW-HQJQHLMTSA-N 303.189 3.297 10 10 DGCE CP(C)(=O)[C@H]1CCCCN1c1ccc(CN)c(F)c1F 2164549655 IQIWEUULJRPKFV-LBPRGKRZSA-N 302.305 3.363 10 10 DGCE CC[C@@H]1CCCN1c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] 727826164 AUIOZWHPSBKBMQ-BUUCAEBMSA-N 304.346 3.160 10 10 DGCE Cc1cc(C)c([C@@H](C)NC[C@]2(OC(C)C)CCOC2)c(O)c1 903357014 IYYYGAHXJYHJKO-CRAIPNDOSA-N 307.434 3.244 10 10 DGCE CC[C@@H](NC(=O)NCc1c(O)cccc1F)c1nc(C)cs1 917023479 FPQXKTYSBDKVAQ-GFCCVEGCSA-N 323.393 3.247 10 10 DGCE C[C@H](N[C@H](C1CCOCC1)C1CC1)c1cc([N+](=O)[O-])ccc1O 846190460 XYNZBCYAPPDBTO-GTNSWQLSSA-N 320.389 3.156 10 10 DGCE c1cc(N2CCCCC2)ccc1CN1CC[C@]2(CCCNC2)C1 843116858 MWLAJRPAXKMLPY-FQEVSTJZSA-N 313.489 3.252 10 10 DGCE C[C@H](CC(=O)NCc1ccc(N2CCCC2)cc1)C(F)(F)F 858453631 XWEABDCLMJTIOA-GFCCVEGCSA-N 314.351 3.492 10 10 DGCE COc1ccnc(CN[C@@H]2C[C@H](C)c3c(F)ccc(O)c32)c1F 850537006 LSPLDQTXQPUVNK-GXSJLCMTSA-N 320.339 3.412 10 10 DGCE Cc1cc(CCNC(=O)c2cnco2)c(C)n1-c1ccccc1 758158780 HVZKFORSUOXXNR-UHFFFAOYSA-N 309.369 3.055 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@H](C2CCC2)[C@@H]2CCCO2)c1 866491742 XHELUQQRFSUASV-UYHISHBKSA-N 305.418 3.399 10 10 DGCE CC(C)C[C@H](C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 764999635 COQIGAIHKIFTLM-HOTGVXAUSA-N 318.461 3.383 10 10 DGCE [N-]=[N+]=NCCN1C[C@H]2CC[C@H]1[C@@H]1CN(Cc3ccccc3)C[C@@H]21 707742091 ZYAAAYSKCNWGFA-XDNAFOTISA-N 311.433 3.139 10 10 DGCE C[C@H](N)c1ccc(N2CC[C@@H](CF)C2)cc1Br 711515135 SXZDIDGSJOUUEP-UWVGGRQHSA-N 301.203 3.265 10 10 DGCE CC[C@@H](NCCc1cc[nH]n1)c1cc(Br)ccc1O 714521423 LZJUEJMJZNVSPE-CYBMUJFWSA-N 324.222 3.161 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1Nc1c(N)cccc1F 1959373836 NZNBYCPBUNWZRZ-CHWSQXEVSA-N 309.385 3.266 10 10 DGCE O=C(N[C@@H](Cc1ccccc1)c1ncco1)c1cc(O)cs1 1163390595 HRDCFVVIXYVKRR-ZDUSSCGKSA-N 314.366 3.156 10 10 DGCE CCO[C@@H](CCNC(=O)c1ccc(N=NC(N)=O)cc1)C(C)C 1294375955 ILORPHSGRJQISP-AWEZNQCLSA-N 320.393 3.030 10 10 DGCE Oc1c(Cl)cccc1CN[C@H]1CCOC[C@@H]1C(F)(F)F 1916615487 KQKOWEYCNYHHRB-ONGXEEELSA-N 309.715 3.103 10 10 DGCE O=C(NCc1cccc(O)c1O)c1cc(Cl)cc(Cl)c1 1471644162 NYPGPSDSUPPTFE-UHFFFAOYSA-N 312.152 3.335 10 10 DGCE C[C@@H]([C@@H](O)c1ccccc1)N(C)[C@@H](C#N)c1ccc(N(C)C)cc1 26789206 RRPOCDAPMNTDOP-RYGJVYDSSA-N 323.440 3.371 10 10 DGCE COc1ccc(F)cc1CNC(=O)N[C@H](C)c1ccccc1O 1564621723 DWWLJFXUDVTDQX-LLVKDONJSA-N 318.348 3.100 10 10 DGCE Oc1cccc(O)c1CNc1ncnc2c1oc1ccccc12 1643226131 OGDYGZRBYGXKCQ-UHFFFAOYSA-N 307.309 3.399 10 10 DGCE C=C/C=C/CC(=O)Nc1c(-c2ccccn2)nc2ccccn12 1641971948 ISCCHQBRECDVOM-ONEGZZNKSA-N 304.353 3.467 10 10 DGCE Cc1cc(C(=O)NCc2cccc(Cl)c2O)sc1C=O 1653567160 NHIFHHFUZBOHKG-UHFFFAOYSA-N 309.774 3.158 10 10 DGCE CCN(C[C@H]1CCC[C@]2(CCOC2)O1)c1ccc(OC)cc1 1657657932 WFGLOWQPEBRAOK-QZTJIDSGSA-N 305.418 3.250 10 10 DGCE Cc1ccc(O)c(CNC(=O)C[C@@H](O)c2ccc(Cl)cc2)c1 1584983131 FJSKLQMAKIAOCA-MRXNPFEDSA-N 319.788 3.094 10 10 DGCE CCN1C(=O)/C(=C\c2ccc3c(c2)CCCN3C)SC1=S 1772824568 TWSSVZJAOCHRNO-GXDHUFHOSA-N 318.467 3.290 10 10 DGCE C[C@@H](NC(=O)NCc1c(O)cccc1F)c1ccc(F)cc1 1684509033 RYQDNXKUKPCJBK-SNVBAGLBSA-N 306.312 3.231 10 10 DGCE CCc1ccc(NC(=O)NCCc2ccc(O)c(O)c2)cc1F 159050904 YFTYWEPLADUDHY-UHFFFAOYSA-N 318.348 3.164 10 10 DGCE CCC/C(C)=C/C(=O)N1CCN(c2ccc(OCC)cc2)CC1 1253863172 CYGIZKZTQISROM-FOCLMDBBSA-N 316.445 3.480 10 10 DGCE CP(C)(=O)[C@H]1CC[C@@H](NCc2ccc(F)c(F)c2O)C1 1973924408 LBLQGOZERZVUME-MNOVXSKESA-N 303.289 3.304 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(N)cc2)CC1(C)C 1977969690 DLNCIOHXJICEKI-OAHLLOKOSA-N 319.449 3.398 10 10 DGCE CN(C)c1ccc([C@H](O)C(C)(C)N(C)C(=O)OC(C)(C)C)cc1 1977938401 IVXBPKHBPWMWTM-HNNXBMFYSA-N 322.449 3.432 10 10 DGCE CC(C)(C)OC(=O)N1CC2(CC=CCN2CCCCN=[N+]=[N-])C1 1982248895 ZOGCZMOOWLPECY-UHFFFAOYSA-N 321.425 3.328 10 10 DGCE CN[C@H]1CCc2cc(N(Cc3ccccc3)[C@@H](C)CO)ccc21 1986607632 XEOVUPLUAVPBIG-YWZLYKJASA-N 310.441 3.281 10 10 DGCE C[C@]1(C(F)F)C[C@H]1NCc1c(O)cccc1Br 2008235849 ISSGRQGPPZQERG-PWSUYJOCSA-N 306.150 3.288 10 10 DGCE CC(C)c1ccc(C=C2SC(=S)NC2=O)cc1[N+](=O)[O-] 2053497802 DYEABDOWJYMFEK-UHFFFAOYSA-N 308.384 3.207 10 10 DGCE COc1ccc(O)c([C@H](C)n2nc(-c3ccccc3)cc2CO)c1 2070170137 HEBKCWGPRFQDRK-ZDUSSCGKSA-N 324.380 3.366 10 10 DGCE CCc1c(C2(C)CC2)nn(Cc2ccc(Cl)cc2O)c1N 2079818600 QVPSPIQWHGAOTI-UHFFFAOYSA-N 305.809 3.487 10 10 DGCE C[C@@H](NCc1cc(Cl)cc(Cl)c1O)c1nncs1 2077145633 VDTVABFCOFJJQW-ZCFIWIBFSA-N 304.202 3.401 10 10 DGCE CO[C@@H]1C[C@H](CF)N([C@H](C)c2cc(Cl)c(C)cc2O)C1 2286445312 SFFMEDGUNONJKU-IJLUTSLNSA-N 301.789 3.474 10 10 DGCE CC(C)CN1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=S 2296699142 XPYYBTGJHGPTBV-UHFFFAOYSA-N 322.411 3.452 10 10 DGCE Cc1ccn2c(N=Nc3ccc4c(c3)OCO4)c(C(=O)O)nc2c1 2320769436 WBNADGIFZHHCSX-UHFFFAOYSA-N 324.296 3.485 10 10 DGCE Oc1cccc(Br)c1CN[C@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21 2309577360 BWJHHUAOTGDHOF-YBRCUDMCSA-N 308.219 3.289 10 10 DGCE CCn1cncc1N(C)Cc1ccc(C)c(Br)c1O 2352626595 MPSPMVVWYONDGW-UHFFFAOYSA-N 324.222 3.316 10 10 DGCE CCOc1ccc2c(c1)CN(Cc1ccc(OC)cc1O)CC2 92666700 KRQXFFNXIBOMHP-UHFFFAOYSA-N 313.397 3.358 10 10 DGCE Cc1cc(N2CCNCC2)ccc1OCCCC(F)(F)F 130562795 VRRCATDSLWIHRX-UHFFFAOYSA-N 302.340 3.126 10 10 DGCE C[C@@H]1CN(c2ccc([C@@H](C)N)cc2Br)CCS1 137200479 NWPAOEWEOHHLND-NXEZZACHSA-N 315.280 3.411 10 10 DGCE COC[C@](C)(NCc1cccc(OC)c1O)c1ccccc1 154692001 YYCWEAKZYWGLKS-SFHVURJKSA-N 301.386 3.052 10 10 DGCE CCC(CC)S(=O)(=O)NCc1ccc(N(CC)CC)cc1 171782396 BEDLVGBNMMCKGG-UHFFFAOYSA-N 312.479 3.141 10 10 DGCE Cc1cc(Cl)cc(CN2CCC(c3ccn[nH]3)CC2)c1O 179982133 CXJNTVRTCVGARA-UHFFFAOYSA-N 305.809 3.457 10 10 DGCE CCN(CCNCc1ccc(N(C)C)cc1)C(=O)OC(C)(C)C 227874829 AYADTRKVNMMBJW-UHFFFAOYSA-N 321.465 3.099 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@H]1CCO[C@@H]1C1CC1 230314931 OXYKFUXTDMGHRP-GXTWGEPZSA-N 302.201 3.356 10 10 DGCE O=C(NCc1cc(Cl)sc1Cl)c1cccc(O)c1O 312795486 AOWVUHULYFNMOC-UHFFFAOYSA-N 318.181 3.396 10 10 DGCE CN(C)c1ccc(CNC(=O)N2CCCC23CCC3)cc1F 373114510 ANKZOKWIQZPFJX-UHFFFAOYSA-N 305.397 3.120 10 10 DGCE C[C@H](NCc1ccc(Br)cc1O)c1cccnc1 691451777 PPXONXZTIZBHMK-JTQLQIEISA-N 307.191 3.401 10 10 DGCE C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CC[C@H]1N(C)C 693631683 VYNAIDWSFDSZRT-IINYFYTJSA-N 317.260 3.471 10 10 DGCE C[C@H](N)c1ccc(N2CC[C@H](CF)C2)cc1Br 711515137 SXZDIDGSJOUUEP-VHSXEESVSA-N 301.203 3.265 10 10 DGCE CC(C)(C)CC(=O)N1CCN(Cc2c(O)cccc2Cl)CC1 768252275 HYRIQRITMIJSIN-UHFFFAOYSA-N 324.852 3.126 10 10 DGCE COC(=O)N1CCC[C@H]([C@H](C)N[C@H](C)c2ccc(F)cc2O)C1 775582695 XPBLAHUDKHBNBZ-XQQFMLRXSA-N 324.396 3.049 10 10 DGCE Cc1cc(Cl)cc(CN2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1O 775690301 PRRMTNODMLLBNR-DGCLKSJQSA-N 323.742 3.242 10 10 DGCE COC[C@](C)(O)CCN[C@H](C)c1ccc(Cl)c(Cl)c1O 834843378 IILOUFWJHGKXQX-YMTOWFKASA-N 322.232 3.137 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCCN(CC(F)F)CC2)cc1 835053382 LVHAELPGRGVAEU-HWKANZROSA-N 323.431 3.039 10 10 DGCE CCN(CC)c1ccc(CN[C@H]2CCC[C@@H](CO)C2)cc1F 840977463 IEFPOZPWLDLNRH-CVEARBPZSA-N 308.441 3.313 10 10 DGCE CC[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1O)[C@@H]1CCCCO1 848567910 SLJGDGWLBLJDSX-WPGHFRTFSA-N 308.378 3.299 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)Cc1cnc(Cl)n1C 848877517 SVIBDYKEHYVNTK-UHFFFAOYSA-N 306.841 3.162 10 10 DGCE COc1cc(CNCC2CCC(O)CC2)c(O)c(C(C)(C)C)c1 850394927 IUIPBCACRYMZHT-UHFFFAOYSA-N 321.461 3.339 10 10 DGCE COCC[C@@H]1CCC[C@@H]1N[C@@H]1CCN(c2ccc(OC)cc2)C1 850487905 JZUGMPUTZZSALQ-FCEWJHQRSA-N 318.461 3.069 10 10 DGCE CC1(C)[C@@H](NC(=O)NCCc2ccc(N)cc2)[C@@H]1c1ccccc1 861640036 IEEIIGDIUWYGQI-ROUUACIJSA-N 323.440 3.303 10 10 DGCE O=C(CC1CCSCC1)NCc1ccc2cccnc2c1O 862027162 KYUQWADTHNMNCD-UHFFFAOYSA-N 316.426 3.090 10 10 DGCE c1cc(N2CCCCC2)ccc1CN[C@]12CCC[C@H]1OCC2 865860264 UECZDCIRQBASLR-MOPGFXCFSA-N 300.446 3.478 10 10 DGCE C[C@H](NC[C@H]1CCC12CCOCC2)c1cc([N+](=O)[O-])ccc1O 866528967 LFSQUEDTKFZJOI-QWHCGFSZSA-N 320.389 3.158 10 10 DGCE O=C(c1cc(C2CC2)cnc1Cl)N1Cc2cccc(O)c2C1 871205504 URHRUQCQGNPHQF-UHFFFAOYSA-N 314.772 3.474 10 10 DGCE CCC[C@@]1(NC(=O)c2cc3cc(O)c(O)cc3s2)CCOC1 908156320 MXUYCXJIHJXVFY-MRXNPFEDSA-N 321.398 3.002 10 10 DGCE C[C@@]1(CNCc2cccc(Br)c2O)CCCCO1 922816308 IKEULIXCQTYASH-AWEZNQCLSA-N 314.223 3.204 10 10 DGCE CC[C@H](NC[C@]1(C(F)(F)F)CCCN1)c1ccccc1O 925853367 INULGCWVLYLHKD-JSGCOSHPSA-N 302.340 3.117 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@@H](C2CC2)[C@H]2CCCOC2)c1 927071224 XJPPBNIJJZDYHY-YEWDVWPNSA-N 305.418 3.257 10 10 DGCE COc1ccc(N2CCN([C@@H](C)c3ccc(F)nc3)CC2)cc1 929152819 FKDOFEKENRMHRK-AWEZNQCLSA-N 315.392 3.113 10 10 DGCE Cc1ccc(CCCC(=O)NCc2c(O)cccc2F)cc1 1178410946 ZVZZUZIYRTWLSQ-UHFFFAOYSA-N 301.361 3.479 10 10 DGCE CCCCCCN1CCN(c2ccc(OC)cc2OC)CC1 1201756345 KGAKUONVIRRRKV-UHFFFAOYSA-N 306.450 3.406 10 10 DGCE O=S(=O)(Cc1ccc(F)cc1)Nc1ccc(O)c(Cl)c1 1259253262 SBRBZSIZYJEUCE-UHFFFAOYSA-N 315.753 3.127 10 10 DGCE COc1ccc(F)c(OC)c1C(=O)N[C@H](C)c1ccccc1O 1302532389 ALKQDIWGUHMPNV-SNVBAGLBSA-N 319.332 3.040 10 10 DGCE Cc1c(C(=O)NCc2cc(O)ccc2O)oc2c(F)cccc12 1303223627 YDIBMUFZRJIEEF-UHFFFAOYSA-N 315.300 3.222 10 10 DGCE Cn1cnc(/C=C/C(=O)N2CCCc3c(Cl)ccc(F)c32)c1 1359922157 JSNJVGPFGOCZMG-QPJJXVBHSA-N 319.767 3.205 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)/C=C(\C)c2ccco2)c1 1465991382 CVNZEEQXJZUGBQ-LMMOQWNQSA-N 301.342 3.275 10 10 DGCE O=C(NC[C@H](O)c1cccc2ccccc12)c1cc(O)cs1 1470004552 NDDQDUZPSMKMKL-HNNXBMFYSA-N 313.378 3.070 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2C(=O)/C=C/C1CCCC1 1523541527 FZUNAUIJEPFYGR-JXMROGBWSA-N 300.402 3.224 10 10 DGCE C/C(=C/c1cccnc1)C(=O)N1CCOc2c1ccc(F)c2F 1536464306 DUEHGDOUMYSPSE-LUAWRHEFSA-N 316.307 3.189 10 10 DGCE C[C@@H](CCc1cccc(F)c1)C(=O)NCc1c(O)cccc1O 1558533852 LQPDPNKNSMXLMR-LBPRGKRZSA-N 317.360 3.122 10 10 DGCE Cc1ccc2cccc(NC(=O)Cc3ccc(O)c(O)c3)c2n1 1626824404 VLZAXXZGULGQON-UHFFFAOYSA-N 308.337 3.136 10 10 DGCE O=C(c1cc(O)cs1)N1CCc2c(Br)cccc21 1626959991 PRDPSWMQHSJFHR-UHFFFAOYSA-N 324.199 3.419 10 10 DGCE Cc1ccc(CC(=O)NCc2ccc3cccnc3c2O)cc1C 1627069092 IFHKBJYPRWLNQV-UHFFFAOYSA-N 320.392 3.416 10 10 DGCE O=C(NCc1cc(O)ccc1O)c1[nH]c2ccccc2c1Cl 1637122390 FAEXQCWMRQHVIA-UHFFFAOYSA-N 316.744 3.163 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@@H]1[C@H]2CCC[C@H]21 1686272145 ASGNXJOJSPQEOL-PIIMJCKOSA-N 313.445 3.227 10 10 DGCE COc1ccc(N2CCN(CC(Cl)=CCl)CC2)cc1 1879256023 KTTWERRICXQGFX-UHFFFAOYSA-N 301.217 3.136 10 10 DGCE Cc1cc(Br)nc(NCCOc2ccc(N)cc2)c1 1894444040 WVCKWVPKZARDFU-UHFFFAOYSA-N 322.206 3.226 10 10 DGCE O=C(O)C=Cc1ccc(N2CC[C@@H]3C[C@H]32)cc1Br 1912069656 UPVITVWDEWMOPL-ZWNOBZJWSA-N 308.175 3.146 10 10 DGCE CN(CCCN=[N+]=[N-])C(=O)c1ccc(F)c(Br)c1 1912145943 NFSCQMGDYDLYST-UHFFFAOYSA-N 315.146 3.361 10 10 DGCE C[C@@H](CCO)N(CCCc1ccc(N)cc1)Cc1ccccc1 1915118360 CCEKJWBZDKCNMH-KRWDZBQOSA-N 312.457 3.475 10 10 DGCE CC[C@@]1(F)CCN(Cc2cc(Br)ccc2O)C1 1925580109 SSQLNFQDWSULMM-CYBMUJFWSA-N 302.187 3.479 10 10 DGCE Nc1ccccc1N[C@H]1CC[C@H]1NC(=O)OCc1ccccc1 1954638713 OLHDTTDVNKFQGM-DLBZAZTESA-N 311.385 3.138 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](Nc2ccc(N)cc2)C1 1959365024 DRUKGENRSSRTJR-IUODEOHRSA-N 305.422 3.374 10 10 DGCE CC[C@H]1[C@H](Nc2ccccc2N)CCN1C(=O)OC(C)(C)C 1959367788 PVVPHDSVZNEPOW-CABCVRRESA-N 305.422 3.469 10 10 DGCE CC[C@](C)(NC(=O)OC(C)(C)C)[C@H](N)c1ccc(N(C)C)cc1 1977944400 FMPVRZAAFGZOMS-QAPCUYQASA-N 321.465 3.446 10 10 DGCE C[C@@H](CC[C@@H](N)c1ccc(N(C)C)cc1)NC(=O)OC(C)(C)C 1977946802 XOXHHQIPFZWVAG-XJKSGUPXSA-N 321.465 3.446 10 10 DGCE CN[C@H](C[C@@H]1CC[C@@H]1NC(=O)OC(C)(C)C)c1ccccc1O 1985968351 ZFFBKOCXIZYDPK-AEGPPILISA-N 320.433 3.346 10 10 DGCE CN(CCC(C)(F)F)c1ccc(CN)cc1Br 2004468838 NVALDRHPKSPHIC-UHFFFAOYSA-N 307.182 3.389 10 10 DGCE CSC1CC(CNCc2cc(Br)ccc2O)C1 2016141765 RHLAOLVURJXKQO-UHFFFAOYSA-N 316.264 3.386 10 10 DGCE CN[C@H](c1ccc(N(C)C)cc1)c1ccnn1Cc1ccccc1 2024721661 IDCVAZAPNZZJBR-HXUWFJFHSA-N 320.440 3.306 10 10 DGCE Nc1cccc(Br)c1N[C@H]1CCOCC12CCC2 2033357700 TXXAFLASVSVHEH-LBPRGKRZSA-N 311.223 3.402 10 10 DGCE NCc1ccc(N2CCC[C@H]3CC[C@H]32)c(F)c1Br 2034340352 XFYLNOPVJMDICM-GXSJLCMTSA-N 313.214 3.426 10 10 DGCE CN(Cc1ccc(N)cc1)Cc1cc(Br)cn1C 2051480040 JJZRQMHTXZFKMG-UHFFFAOYSA-N 308.223 3.002 10 10 DGCE O=C(NCc1c(O)cc(O)cc1O)[C@H]1CC[C@H](C2CCC2)CC1 2062756121 JGQCEPHDLGCMAD-JOCQHMNTSA-N 319.401 3.026 10 10 DGCE Nc1ccc(CNc2c(N)ccc(F)c2Br)cc1 2071656858 QSLWRWRHQVMJNJ-UHFFFAOYSA-N 310.170 3.365 10 10 DGCE COc1ccc([C@H](C)n2nc(C3CC3)c(N)c2Cl)c(O)c1 2080022793 PBAHCMWXAJTPDF-QMMMGPOBSA-N 307.781 3.320 10 10 DGCE Oc1ccc(Br)cc1CNCc1coc(C2CC2)n1 2104288187 AYYPOIZCECOAMQ-UHFFFAOYSA-N 323.190 3.310 10 10 DGCE O=S(=O)(Nc1ccc(O)c(Cl)c1)[C@@H]1CCCC[C@H]1F 2118895180 WYWWLGYKGNNCGZ-ZYHUDNBSSA-N 307.774 3.068 10 10 DGCE CN1CCc2cc([C@@H](O)[C@H](N)c3csc(Cl)c3)ccc21 2154437201 TWNQKICXEYZXAM-HUUCEWRRSA-N 308.834 3.127 10 10 DGCE CC1(C)[C@@H]2C[C@H]1CN(c1ccc(CO)c(Br)c1)C2 2221709336 UIMBAQVTFDROPI-TXEJJXNPSA-N 310.235 3.424 10 10 DGCE F[C@H]1CN(c2ccc(CNC3CCC3)cc2Cl)C[C@H]1F 2239998173 CQKJZNGSYCYLSN-OKILXGFUSA-N 300.780 3.478 10 10 DGCE Oc1cc(O)c(CNC2CCCCC2)cc1Br 2248028385 JEQGFGFGSAOZFA-UHFFFAOYSA-N 300.196 3.283 10 10 DGCE C[C@@]1(CNCc2cc(Cl)cc(Cl)c2O)CCC[C@@H]1O 2271306353 RMJFOVSQQHIMLQ-JSGCOSHPSA-N 304.217 3.340 10 10 DGCE CSc1ncc(CNC[C@@H]2CNc3ccccc3C2)s1 2284708848 CEXSRCXKPRMNJF-LLVKDONJSA-N 305.472 3.239 10 10 DGCE CC[C@@](C)(O)CN(C)Cc1ccc(C)c(Br)c1O 2327604252 WLKHHMUMSIPFEX-CQSZACIVSA-N 316.239 3.056 10 10 DGCE O=C(O)C=Cc1ccc(N2C[C@H]3C=C[C@@H]2C3)cc1Br 2329318474 JDESWEVQIZRYMB-CMPLNLGQSA-N 320.186 3.312 10 10 DGCE CC(C)c1cn(CCOc2ccc(N)cc2)c(Br)n1 2344721412 SRQUGDSTZIVBIE-UHFFFAOYSA-N 324.222 3.430 10 10 DGCE COc1ccc(C2=C/C(=C\c3ccc(O)cc3)C(=O)O2)c(OC)c1 6625349 KAQGHLIOKGZFPJ-UKTHLTGXSA-N 324.332 3.391 10 10 DGCE CN1C(=O)/C(=C2/N(C)c3ccccc3C2(C)C)SC1=S 103880047 YVTIZMCTBKDMGC-QXMHVHEDSA-N 304.440 3.116 10 10 DGCE CC1(C)[C@H](NCc2ccc(Br)cc2O)C1(F)F 1948207737 XBFRDRQMCKGIMK-JTQLQIEISA-N 306.150 3.288 10 10 DGCE C[C@@H](N[C@H]1CCN(Cc2ccccc2)C1)c1c(O)cccc1O 303994674 ULMVBUUIUXWULA-ZBFHGGJFSA-N 312.413 3.023 10 10 DGCE COc1ccc(CN(C)[C@@H](C)Cc2ccccc2OC)c(O)c1 179950456 KTELWYBTHRWHSV-AWEZNQCLSA-N 315.413 3.472 10 10 DGCE CN[C@@H](C)c1ccc(N(C)Cc2snnc2C)cc1Cl 2360901410 ZJXKGNZLTBZSCQ-VIFPVBQESA-N 310.854 3.417 10 10 DGCE Cc1occc1CN(C)c1ccc(CN)cc1Br 213010542 XHGAFHFVHHHOTP-UHFFFAOYSA-N 309.207 3.446 10 10 DGCE COC(=O)C[C@](C)(N)c1c(O)c(Cl)cc(Cl)c1Cl 1951858043 DXZXRQVNNBJKNP-NSHDSACASA-N 312.580 3.089 10 10 DGCE CCn1cc(C(=O)NCc2ccc(N(C)C)cc2)c(C(C)C)n1 127728094 FZORNNVEHZIZFA-UHFFFAOYSA-N 314.433 3.022 10 10 DGCE CC(C)c1noc(CCCN[C@H](C)c2cc(F)ccc2O)n1 185319656 UTPJOAJONDFBKM-LLVKDONJSA-N 307.369 3.321 10 10 DGCE Cc1ccn2c(/N=N\c3ccccc3O)c(CC(=O)O)nc2c1 71583669 PBWUORZAYDWYKH-HNENSFHCSA-N 310.313 3.391 10 10 DGCE CC(C)NCc1ccc(N2C[C@@H](N(C)C)[C@H](C)C2)c(Cl)c1 227232754 PEZBLCPORUXIIK-CXAGYDPISA-N 309.885 3.224 10 10 DGCE Nc1ccc(CC[S@@](=O)c2ccc(Br)cc2)cc1 40968803 JHJYUBBFEKEZGL-SFHVURJKSA-N 324.243 3.382 10 10 DGCE CC(C)(C)OC(=O)N[C@@H](CC(=O)O)c1ccc(Cl)cc1O 238193370 WPBRDXQEJJAFTI-JTQLQIEISA-N 315.753 3.086 10 10 DGCE COc1ccc(C)cc1NC(=O)[C@H](C)Cc1ccc(O)c(O)c1 96642425 BJBIMASKSDEKHQ-GFCCVEGCSA-N 315.369 3.232 10 10 DGCE C[C@@H](N[C@@H]1CCNC12CCC2)c1cc2c(cc1O)CCCC2 530219302 ZTNWMDVAUNXHCV-FZKQIMNGSA-N 300.446 3.206 10 10 DGCE CN(C)c1ccc([C@H](N)[C@@](C)(O)c2csc(Cl)c2)cc1 2163132427 BSNFFJBAPMYBFT-GJZGRUSLSA-N 310.850 3.375 10 10 DGCE COC(=O)c1ccc(CNCc2cc(C)c(C)cc2O)c(F)c1 827526186 JBRCWOFKDXVZOJ-UHFFFAOYSA-N 317.360 3.225 10 10 DGCE Cc1nn(C)c(C)c1CCN[C@@H](C)c1ccc(Cl)cc1O 841745528 ZTLABDFIYQJYAX-JTQLQIEISA-N 307.825 3.289 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@H]2CNc3ccccc3C2)cc1 844906957 XBHYZYYKXCVALT-DUMMIQTOSA-N 307.441 3.392 10 10 DGCE C[C@@H](N[C@@H]1CNc2ccccc2C1)c1cc(F)cc(F)c1O 844920867 NQVCRIWQRDKKSU-MFKMUULPSA-N 304.340 3.358 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)NCC2CSC2)cc1 854873924 NFRCIUJDTRHXJJ-UHFFFAOYSA-N 300.427 3.187 10 10 DGCE COC[C@H](N[C@@H]1C[C@@H](C)c2c(F)ccc(O)c21)C1CCOCC1 850493424 HLZZILOLODHXAZ-DFBGVHRSSA-N 323.408 3.111 10 10 DGCE C[C@H](NCC[C@@H]1COc2ccccc2O1)c1cc(F)ccc1O 756756965 ASUJKEMUWOOWLQ-GXTWGEPZSA-N 317.360 3.412 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)C[C@H]3CC[C@H](C)C3)C2)cc1 855233996 QKBXQBKMPHHQGH-JYJNAYRXSA-N 316.445 3.216 10 10 DGCE COc1cc(CN2CC[C@@H]3COC[C@H]3C2)c(O)c(C(C)(C)C)c1 853585925 LJTKOXVMFMVIIE-UKRRQHHQSA-N 319.445 3.167 10 10 DGCE C[C@H]1CC2(CCC2)CN1C(=O)NCc1ccc(N(C)C)cc1 761573149 WAMMSCPWBRXYMQ-AWEZNQCLSA-N 301.434 3.227 10 10 DGCE Cc1cc(CN2CC[C@H](C(=O)O)[C@H]3CCC[C@@H]32)ccc1N(C)C 863476268 YRVHOKRWNBLYMD-RYRKJORJSA-N 316.445 3.136 10 10 DGCE CCO[C@@H](CC(=O)NCc1ccc2cccnc2c1O)C(C)C 862027227 NKTWCGCDOSJNMK-HNNXBMFYSA-N 316.401 3.008 10 10 DGCE CCOC[C@H](C)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 778199419 YCDBBUGIOMYDLT-AWEZNQCLSA-N 321.421 3.100 10 10 DGCE CCOc1ccc(N2CCN(C(=O)[C@H](C)CC(C)C)CC2)cc1 1116604021 LPVLXBBHTQLXNO-MRXNPFEDSA-N 318.461 3.416 10 10 DGCE CC(=O)c1cc(F)cc(CN[C@@H](c2cccnc2)C2CC2)c1O 782530793 LZXDIFVVXBJACM-QGZVFWFLSA-N 314.360 3.370 10 10 DGCE CNC(=O)C[C@H](N[C@H](C)c1ccc(C)cc1O)c1ccccc1 795849977 SAUQBMALZZTGKC-PBHICJAKSA-N 312.413 3.229 10 10 DGCE CN(C(=O)Cc1ccc(O)c(O)c1)[C@H]1CCC[C@H]1C(C)(C)C 1142514322 LJTPNOUKAZHPNW-KGLIPLIRSA-N 305.418 3.314 10 10 DGCE CN[C@@H](C)c1ccc(N2CC(F)(F)C2)cc1Br 1916990377 BFMQKWLLGCKJRX-QMMMGPOBSA-N 305.166 3.185 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)c1cccc2cc[nH]c12 1165499288 ZEDALVUGZGWMJW-UHFFFAOYSA-N 300.745 3.457 10 10 DGCE CC[C@@H](N)Cc1cnc(SCCCOCC2CC2)s1 2128307326 SAEJKKAOXYQHSJ-GFCCVEGCSA-N 300.493 3.332 10 10 DGCE c1cc(N2CCCC2)ccc1CNC[C@@H]1C[C@@H]2CCC[C@@H]2O1 1349625452 NPWWMYZJIHOVSU-WDSOQIARSA-N 300.446 3.334 10 10 DGCE C/C(=C/C(=O)N(CC(F)F)c1ccccc1)c1cnccn1 1435396163 QAOAFNOFHCITNU-XFXZXTDPSA-N 303.312 3.178 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1ccc2cnccc2n1 1294681726 VUMGBJYMPQQXGB-UHFFFAOYSA-N 321.380 3.388 10 10 DGCE COc1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)cc1C 1292207275 RVNOMOSEIHRWGJ-UHFFFAOYSA-N 324.424 3.316 10 10 DGCE C[C@@H](NC(=O)NCCc1ccc2[nH]ccc2c1)c1ccccc1O 1469923661 AACYVMRZEGIREG-CYBMUJFWSA-N 323.396 3.476 10 10 DGCE c1cc(CNCCCSc2nccs2)c2nsnc2c1 1461230920 JSDKONRDCWRUMV-UHFFFAOYSA-N 322.484 3.420 10 10 DGCE COc1ccc(N2CCN(CC=C(Cl)Cl)CC2)cc1F 1616265832 LCQHRLPHPKWMKE-UHFFFAOYSA-N 319.207 3.275 10 10 DGCE CCC/C=C/[C@@H](O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C 1544884437 FTMMRKLCKLTSRE-GFOMBABLSA-N 318.461 3.207 10 10 DGCE CC1CCC(N(C(=O)Cc2ccc(O)c(O)c2)C2CC2)CC1 1625807375 YMLDXHTZIICGAH-UHFFFAOYSA-N 303.402 3.210 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)c1nccc2occc12 1628680470 KAHUWHQUNXFOAH-UHFFFAOYSA-N 302.717 3.117 10 10 DGCE COc1ccc(CN[C@@H](C)CNC(=O)C2(C)CCCC2)cc1C 1491539345 JADXUULXBSGGCI-HNNXBMFYSA-N 318.461 3.178 10 10 DGCE Cc1cc(O)nc2cc(C(=O)N[C@@H](C)c3ccccc3O)ccc12 1557968791 MGDDIEOYIXEMRM-LBPRGKRZSA-N 322.364 3.445 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCCC1CCC1 1564946678 UFMIYCBOXYMONK-HNNXBMFYSA-N 317.477 3.481 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1cnn(C2CCC2)c1 1645443215 IOSBVYKJSSCCOQ-UHFFFAOYSA-N 321.380 3.397 10 10 DGCE CCn1ncc(Br)c1CSc1nccs1 1930888546 ULOXDPZAGZMNLP-UHFFFAOYSA-N 304.238 3.414 10 10 DGCE CCOc1ccc(/N=N/N2CCC(C(=O)O)CC2)cc1OCC 1860487636 HQAAJQQDLTZNSB-ISLYRVAYSA-N 321.377 3.279 10 10 DGCE CCCC1=NN(CCC)C(=O)/C1=C/c1ccccc1C(=O)O 1865673913 DYTZMSQIXWTKQZ-SDNWHVSQSA-N 300.358 3.177 10 10 DGCE CNCc1ccc(N(C)Cc2ccncc2)cc1Br 234409580 QCUPOFLJFRWISJ-UHFFFAOYSA-N 320.234 3.200 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCN(CCN=[N+]=[N-])C1 1962300052 PCEMMOQZSWMREB-CHWSQXEVSA-N 309.414 3.018 10 10 DGCE C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CCN1CCCN=[N+]=[N-] 1962303899 JSIMKDPTQPWYKQ-OLZOCXBDSA-N 311.430 3.312 10 10 DGCE C[C@H]1OC2(C)CC1(NCc1cc(Cl)cc(Cl)c1O)C2 1966076766 KKYDWAIQERUEGX-UWEQVVMYSA-N 302.201 3.499 10 10 DGCE Oc1c(F)cc(Br)cc1CNC[C@@H]1CC[C@H]2C[C@H]21 1966008562 RSKXIWRRQFRYLB-HOTUBEGUSA-N 314.198 3.430 10 10 DGCE CC(C)(C)OC(=O)N[C@@H](CC1CCC1)[C@@H](N)c1ccccc1O 1986006591 QNOOKRVIAIULPE-HOCLYGCPSA-N 320.433 3.476 10 10 DGCE CN[C@@H]1CCc2cc(N(Cc3ccccc3)[C@@H](C)CO)ccc21 1986607630 XEOVUPLUAVPBIG-MGPUTAFESA-N 310.441 3.281 10 10 DGCE C[C@H](c1cc(Cl)ccc1O)N1CCOC[C@H]1C(F)(F)F 2150470565 RXQVNNJOWNIQIV-PELKAZGASA-N 309.715 3.370 10 10 DGCE Cc1ccc(CN[C@@H](C)CCN(C)C(=O)OC(C)(C)C)c(O)c1 1994456782 QIQGUEJGLYPJHU-AWEZNQCLSA-N 322.449 3.436 10 10 DGCE CCN1CCc2cc([C@]3(O)CCN(Cc4ccccc4)C3)ccc21 1999510366 VRRSFOYEXISLPU-NRFANRHFSA-N 322.452 3.163 10 10 DGCE CN(Cc1cccc(Br)c1O)[C@H]1CCC[C@@H]1F 2006807611 ODEWZHWNPATLKH-RYUDHWBXSA-N 302.187 3.477 10 10 DGCE CSC[C@@H]1CCN(c2ccc(CN)c(C(F)(F)F)c2)C1 706660880 MPDJCEJGSOWEIG-SNVBAGLBSA-N 304.381 3.353 10 10 DGCE Cc1ccc(Br)c(NCCc2ccc(N)cc2)n1 712383616 XFGNRZCVYUEOPT-UHFFFAOYSA-N 306.207 3.389 10 10 DGCE CO[C@H](CNCc1cc(Br)ccc1O)C1CCC1 692911928 GHPLDTSEDVSGPS-CQSZACIVSA-N 314.223 3.059 10 10 DGCE COCCNCc1ccc(N(C)[C@@H](C)C(F)F)cc1Cl 2178791296 NENAMRFLWDBYNJ-JTQLQIEISA-N 306.784 3.166 10 10 DGCE COc1ccc([C@H](C2CC2)n2nc(C)c(CN)c2Cl)c(O)c1 2079970367 QYBCPOHBDDGAAR-HNNXBMFYSA-N 321.808 3.017 10 10 DGCE CCNCc1ccc(N2C[C@H](F)C[C@@H]2C)c(Br)c1 2042209188 SYHDFCMILGMUMH-CMPLNLGQSA-N 315.230 3.495 10 10 DGCE CNCc1ccc(N2CCC[C@H]2[C@@H](C)F)c(Br)c1 2060891647 WHRFHOGQYHOKQS-MFKMUULPSA-N 315.230 3.495 10 10 DGCE NCc1ccc(N2[C@H]3CC[C@@H]2C[C@H](F)C3)c(Br)c1 2072029943 SSDVFGDKXYISEN-ZSBIGDGJSA-N 313.214 3.377 10 10 DGCE C[C@@H](CNCc1cc(Br)ccc1O)OC(C)(C)C 2072115664 RQWYSGRPJDAWGS-JTQLQIEISA-N 316.239 3.448 10 10 DGCE Oc1ccc(CCNCc2cccc(Br)c2)cc1O 2091754177 KMUGKZLUUPKRJA-UHFFFAOYSA-N 322.202 3.193 10 10 DGCE CNCc1ccc(N2CCC[C@H]2c2nncs2)cc1Cl 2204719710 BROJHUVJUAMEHI-ZDUSSCGKSA-N 308.838 3.252 10 10 DGCE C[C@@H](Nc1cnccc1Br)c1c(O)cccc1O 2264146485 NONRVWHOGWGASL-MRVPVSSYSA-N 309.163 3.428 10 10 DGCE Cc1ccc2c(c1)C(C)(C)[C@]1(C=Cc3cccnc3)NC(=O)CN21 2297451022 NTNSIQPVVGVBPT-HXUWFJFHSA-N 319.408 3.027 10 10 DGCE CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CN1CCCCC1 2297512569 UHAUMUZDUQTLTO-UHFFFAOYSA-N 303.793 3.432 10 10 DGCE Cc1ccc(CNC[C@H]2C[C@@H]2CF)c(O)c1Br 2307476200 YPGAYIGIWSMZFW-GHMZBOCLSA-N 302.187 3.158 10 10 DGCE CC[C@@H]([C@@H](C)N)N(C)Cc1ccc(C)c(Br)c1O 2327610438 UXWNTCBXQFKACF-PWSUYJOCSA-N 315.255 3.021 10 10 DGCE CC[C@H](N)[C@@H](C)N(C)Cc1ccc(C)c(Br)c1O 2327609841 PUVNJCQJRIQQAD-PWSUYJOCSA-N 315.255 3.021 10 10 DGCE CC[C@H]1C[C@@H](NCc2ccc(C)c(Br)c2O)CO1 2327793363 UQFZNQCABPJTPC-NEPJUHHUSA-N 314.223 3.120 10 10 DGCE CCN(CCN=[N+]=[N-])S(=O)(=O)c1cc(Cl)cc(Cl)c1 2337774707 QKYUWMGJWQYZHP-UHFFFAOYSA-N 323.205 3.314 10 10 DGCE C[C@H](NCc1cc(Br)ccc1O)c1nccs1 106250448 ARIYWCZFCVBYRM-QMMMGPOBSA-N 313.220 3.462 10 10 DGCE CO[C@@]1(C)CCN(c2ccc([C@@H](C)N)c(Br)c2)C1 311159411 PGBDKULHPLTIFP-YGRLFVJLSA-N 313.239 3.084 10 10 DGCE CN(Cc1ccccc1O)[C@@H](C(=O)N1CCCC1)c1ccccc1 171927017 YGTBBIHKKDGSNN-LJQANCHMSA-N 324.424 3.188 10 10 DGCE O=Cc1c(I)ccc2scc(O)c12 307177880 XPXRMBYZVKQMNO-UHFFFAOYSA-N 304.108 3.024 10 10 DGCE C[C@H]1CC[C@@H](C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)O1 124991944 UJLOEHSQSHMUJA-YJBOKZPZSA-N 316.445 3.203 10 10 DGCE COc1ccc(Cl)cc1C(=O)N(C)Cc1ccc(N)cc1 35360124 FBOLDFZZLSALCU-UHFFFAOYSA-N 304.777 3.203 10 10 DGCE COC(=O)Cc1nc2ccccn2c1/N=N\c1ccccc1OC 71580892 BIMAKWKUKCHXBV-VXPUYCOJSA-N 324.340 3.474 10 10 DGCE O=C(O)Cc1nc2ccccn2c1/N=N\c1ccc2c(c1)OCO2 71581194 DYQNGPWCNGYDKF-HNENSFHCSA-N 324.296 3.106 10 10 DGCE C[C@]12CC[C@@]1(C)C(=O)N(c1c(Cl)cc(N)cc1Cl)C2=O 2365778771 NICKPZXXTZWKMU-OKILXGFUSA-N 313.184 3.255 10 10 DGCE CC[C@@H]1COCCN(Cc2cc(Br)ccc2O)C1 1964592901 AOQJSUGXZMIGPA-NSHDSACASA-N 314.223 3.013 10 10 DGCE CSC[C@H](C)N(C)c1ccc(CN)c(Br)c1 228155314 OHJZKDHSPSKWBL-VIFPVBQESA-N 303.269 3.096 10 10 DGCE CCCOc1ccc(CN2CCC[C@H](COCC)C2)c(O)c1 93419355 RIWQEWRZVFGAKG-HNNXBMFYSA-N 307.434 3.430 10 10 DGCE Nc1cccc(Br)c1N[C@H]1CCN2CCC[C@@H]2C1 700037480 WPDKSNNRKFHLCM-WDEREUQCSA-N 310.239 3.070 10 10 DGCE CCC[C@@H](C)NC(=O)NCc1cc(Br)ccc1O 804871621 OTPNIOJRZDIUDF-SECBINFHSA-N 315.211 3.143 10 10 DGCE COC1([C@@H](C)NCc2cc(Cl)cc(C)c2O)CCOCC1 817419354 GEWLRFNVTASYQE-GFCCVEGCSA-N 313.825 3.028 10 10 DGCE NCc1ccc(N2CCS[C@@H](C(F)(F)F)C2)cc1Cl 721391818 VADDKBSMIJPMEY-LLVKDONJSA-N 310.772 3.283 10 10 DGCE CCSCC[C@H](C)N(C)C(=O)/C=C\c1ccc(O)c(O)c1 588405827 UXCVMRNBWXAHNZ-VFFGBVLKSA-N 309.431 3.101 10 10 DGCE Cc1cc(Br)c(O)c(CN2CC3(CC(F)C3)C2)c1 839141018 XOHGLRUCNDCGDM-UHFFFAOYSA-N 314.198 3.397 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)C1(C(F)(F)F)CC1 734404491 HCDKZPPHPDSDPZ-UHFFFAOYSA-N 300.324 3.020 10 10 DGCE C[C@@]1(F)CCCN(C(=O)NCCCSc2nccs2)C1 838515169 JVVYQFYZIGPGMX-CYBMUJFWSA-N 317.455 3.159 10 10 DGCE CC1(C)[C@H]2CCCN(C(=O)/C=C/c3ccc(O)c(O)c3)[C@H]1C2 846565860 ZAYVEHZPTBJKAR-KQOCBEFLSA-N 301.386 3.148 10 10 DGCE C[C@@H]1CN(Cc2ccccc2)C[C@H]1NCc1c(O)cccc1F 1896885874 HIFQTMSVGNNARD-RDTXWAMCSA-N 314.404 3.141 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@@H](C2CC2)[C@@H]2CCCOC2)c1 927071221 XJPPBNIJJZDYHY-WRSAYESZSA-N 305.418 3.257 10 10 DGCE COc1ccc(N2CCCN(Cc3nc(C)oc3C)CC2)cc1 851733087 JMJUNIJFQQMENP-UHFFFAOYSA-N 315.417 3.012 10 10 DGCE C[C@H]1CN(c2ccc(OC(F)(F)F)cc2Cl)[C@H](C)CN1 699652183 ZUQAZEZLWDFLDK-DTWKUNHWSA-N 308.731 3.425 10 10 DGCE C[C@@H](NCc1c(C(F)(F)F)cnn1C)c1cc(F)ccc1O 858452549 LPTDKJSYPCCLEZ-MRVPVSSYSA-N 317.286 3.134 10 10 DGCE C[C@@H]1CC2(CCC2)CN1Cc1ccc(N2CCN(C)CC2)cc1 763646148 JDQUYBFLKUTLNT-QGZVFWFLSA-N 313.489 3.203 10 10 DGCE CN(Cc1ccc(N2CCCCC2)cc1)[C@H]1CCN(C2CC2)C1 769325898 CNPYXMDUKJXEBE-FQEVSTJZSA-N 313.489 3.345 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc(C(C)=O)c1 935947908 HKZAKUTUHKXRPA-UHFFFAOYSA-N 318.369 3.011 10 10 DGCE COc1ccc2c(c1)NC1(CCNCC1)CN2CCC(C)C 76934491 XLWCTWAAFDUJJI-UHFFFAOYSA-N 303.450 3.095 10 10 DGCE CC(=O)[C@H](C)CCCCC(=O)NCc1cccc(Cl)c1O 890760509 RPVPDZGEEFALNO-LLVKDONJSA-N 311.809 3.447 10 10 DGCE COc1ccc(CNC(=O)[C@H]2[C@@H](c3ccccc3)[C@H]2C)c(O)c1 797762287 WGWAYTDDPLYIPR-NXOUGTEYSA-N 311.381 3.067 10 10 DGCE COc1ccc(CNC(=O)/C(C)=C\c2ccc(F)cc2)c(O)c1 794381117 LCPVQMXDYHBZKG-XFXZXTDPSA-N 315.344 3.260 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(N)[C@@H]1c1cccc(Cl)c1O 1959192888 UVPBWUBHKWCTNM-UOWOHEGISA-N 324.808 3.055 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H](Nc2c(N)cccc2F)C1 1959360436 BFQVVKCIGYDYEQ-NSHDSACASA-N 309.385 3.219 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](Nc2ccc(N)cc2)C1 1959365023 DRUKGENRSSRTJR-DOMZBBRYSA-N 305.422 3.374 10 10 DGCE CN(CCN=[N+]=[N-])Cc1ccc(Br)cc1[N+](=O)[O-] 1912147978 NNJXNLORXWUYLE-UHFFFAOYSA-N 314.143 3.099 10 10 DGCE C[C@H](NC(=O)c1ccc2cccnc2n1)c1ccc(N(C)C)cc1 1529478819 GEQQKBOXUKSTFP-ZDUSSCGKSA-N 320.396 3.187 10 10 DGCE C/C(=C/C(C)(C)C)C(=O)N1CCOc2cc(N(C)C)ccc21 1532654967 HFWQRDZTUHXLGZ-SEYXRHQNSA-N 302.418 3.470 10 10 DGCE Cc1ccc(/C=C/C(=O)N2CCOc3c(F)cc(F)cc32)cn1 1616248087 YNQGKZCURQKLHM-SNAWJCMRSA-N 316.307 3.107 10 10 DGCE C[C@H](NC(=O)c1cccc2cc(O)ncc12)c1ccccc1O 1471194590 LODLHKUBMSCAHC-NSHDSACASA-N 308.337 3.137 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2CCc1cccc(F)c1 1559714189 MMLVIGOQAZGUTA-UHFFFAOYSA-N 300.377 3.333 10 10 DGCE C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)Cc1ccc(O)c(O)c1 1621496400 GPCGAFBHTHZVQE-CZUORRHYSA-N 311.381 3.045 10 10 DGCE Cc1cc(C(=O)NCc2cc(Cl)ccc2O)cc(Cl)n1 1557386008 BAETWGMAXXJGHR-UHFFFAOYSA-N 311.168 3.332 10 10 DGCE C[C@@H](Nc1csnc1Br)c1ccc(O)cc1O 1926859005 QBQBSYPLTFORIJ-ZCFIWIBFSA-N 315.192 3.490 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CC3CCC2CC3)cc1 1638804576 WBVJASMSFHYNTD-YIZWMMSDSA-N 314.389 3.405 10 10 DGCE O=C(NCc1cc(O)ccc1O)c1cc2cc(Cl)sc2[nH]1 1644754474 YKAJNAQXBDATNC-UHFFFAOYSA-N 322.773 3.224 10 10 DGCE CCC(=O)Nc1cccc(C(=O)N[C@@H](C)c2ccccc2O)c1 1587451502 XMMXWJZJINCLQR-LBPRGKRZSA-N 312.369 3.232 10 10 DGCE COc1ccc(CN[C@H](C)CCNC(=O)CC(C)C)cc1C 1662883943 YURRVEGGLFRSKF-OAHLLOKOSA-N 306.450 3.034 10 10 DGCE COc1ccsc1C(=O)N(Cc1ccc(N)cc1)C1CC1 161891940 MTNZRHCYEZBNKV-UHFFFAOYSA-N 302.399 3.144 10 10 DGCE C[C@H](N)c1ccc(N2CC[C@H]3[C@H](CCCN3C)C2)c(Cl)c1 166676077 XDJOCNJMBOCPLG-BJJXKVORSA-N 307.869 3.280 10 10 DGCE CCCS(=O)(=O)N1CCn2c3c(c4ccccc42)CCC[C@H]31 1858183381 ATDMSXVHWUAPCJ-MRXNPFEDSA-N 318.442 3.074 10 10 DGCE Cc1cc(=Nc2cc(Cl)ccc2O)[nH]c2c1c(C)nn2C 1859849952 WCDVIVWJOSOTJT-UHFFFAOYSA-N 302.765 3.110 10 10 DGCE CC1CCN(c2ccc(/N=N/N3CCN(C)CC3)cc2)CC1 1860485920 FRZRREKWRXTLRY-VHEBQXMUSA-N 301.438 3.169 10 10 DGCE CCCOc1ccc(N2CC[C@H](CNC[C@H]3CCCO3)C2)cc1 249794991 FFLWZWHWUPPCLN-VQIMIIECSA-N 318.461 3.070 10 10 DGCE CCOC(=O)[C@](CCCSc1nccs1)(NC)C(C)C 2144122266 UNEKYDLBHHIMGK-CQSZACIVSA-N 316.492 3.193 10 10 DGCE CC(C)(C)[C@@](C)(O)CNCc1c(O)cccc1Br 1964072641 KXBOZXRQVUVBMV-AWEZNQCLSA-N 316.239 3.041 10 10 DGCE CN[C@H](c1ccc(N(C)C)cc1)[C@H](C)CNC(=O)OC(C)(C)C 1977946834 YDLQZNFZKJNZOG-CJNGLKHVSA-N 321.465 3.174 10 10 DGCE CC(C)(C)OC(=O)N1CCC2(CCN(CCN=[N+]=[N-])CC2)CC1 1982242006 KASFXWGTNPSHBM-UHFFFAOYSA-N 323.441 3.410 10 10 DGCE O[C@@H]1CCc2cc(N(Cc3ccccc3)[C@H]3CCOC3)ccc21 1986602209 CJKGOOZULCEMNA-AZUAARDMSA-N 309.409 3.462 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CNc3ccc(N)cc3)[C@H]2C1 1994106522 PGKHBAJPTMKVCW-PMPSAXMXSA-N 317.433 3.184 10 10 DGCE CN(Cc1ccccc1)C1CN(c2ccc3c(c2)CCC[C@@H]3N)C1 2012681902 VOKWJWLVAPLKKG-NRFANRHFSA-N 321.468 3.343 10 10 DGCE C[C@@H]1CN(Cc2ccccc2)CCN1c1ccc2c(c1)CC[C@@H]2N 2012711001 WXZKZZQSEHHRTE-IERDGZPVSA-N 321.468 3.343 10 10 DGCE C[C@H](NCc1ccccc1O)[C@H]1CCCN1C(=O)OC(C)(C)C 400580079 QMIYEGVZMNONLQ-DZGCQCFKSA-N 320.433 3.270 10 10 DGCE Cc1ncc(NCc2cc(Br)cc(F)c2O)cn1 715805106 UYSARSUKFRXXIB-UHFFFAOYSA-N 312.142 3.004 10 10 DGCE C[C@@H](O)c1ccc(N(C)Cc2ccon2)cc1Br 2042309815 FTYCVQXZOOXDFH-SECBINFHSA-N 311.179 3.127 10 10 DGCE C[C@H](N)c1ccc(N(C)[C@]2(C)CCOC2)cc1Br 2055447015 ALXWXFVCIOQZNS-IINYFYTJSA-N 313.239 3.084 10 10 DGCE CN[C@H](C)c1ccc(N(C)[C@H]2CCOC[C@@H]2F)cc1Cl 2186750913 SKBIQCSYCQUSHJ-ONERCXAPSA-N 300.805 3.184 10 10 DGCE Nc1ccc(COc2cc(F)c(Br)cc2N)cc1 2078200808 AOCZRQZMVQQXGD-UHFFFAOYSA-N 311.154 3.332 10 10 DGCE CCCN(C[C@H](C)O)c1ccc([C@H](C)O)c(Br)c1 2259664663 TXKIMLSGXRZRBD-QWRGUYRKSA-N 316.239 3.100 10 10 DGCE O=C1C(=CNc2cccc(O)c2)SC(=S)N1C1CCCC1 2296535535 RWMHUCWCZQHIGK-UHFFFAOYSA-N 320.439 3.448 10 10 DGCE O=C(C=Cc1ccc(Cl)nc1)N1CCSc2ccncc21 2304530495 PPJZBJUDVJHHDA-UHFFFAOYSA-N 317.801 3.282 10 10 DGCE CCC1=NN(CC(C)C)C(=O)C1=Cc1ccc(OC)cc1OC 2332140427 FIUWKKRSERTTNB-UHFFFAOYSA-N 316.401 3.351 10 10 DGCE CCC(C)(C)NC(=O)CSc1ncc(-c2ccccc2)n1C 7211318 FSTGZTBZOCEMFH-UHFFFAOYSA-N 317.458 3.484 10 10 DGCE Oc1c(F)cccc1CNC1CCN(Cc2ccccc2)CC1 309677817 XXTITXWCPVAEEG-UHFFFAOYSA-N 314.404 3.286 10 10 DGCE COCCNCc1cc(F)c(N(C)CC(C)(C)C)c(F)c1 62737987 AKNVAKYFHUFMKU-UHFFFAOYSA-N 300.393 3.183 10 10 DGCE C[C@H](N[C@H](C)C[C@H](O)c1ccco1)c1ccc(F)c(F)c1O 187764351 CPYYSAKKXJBAFL-NRUUGDAUSA-N 311.328 3.426 10 10 DGCE CSc1cccc(NC(=O)Nc2cc(O)c(O)c(O)c2)c1 217278767 ZBXGVAJPSHAJMG-UHFFFAOYSA-N 306.343 3.169 10 10 DGCE C[C@@H](N)c1ccc(N(C)CCOCc2ccccc2)cc1O 384135399 VEROKTLLPNNMLK-CQSZACIVSA-N 300.402 3.065 10 10 DGCE CN[C@@H]1C(=O)Nc2cc(N3CCCCC[C@H]3C)c(Cl)cc21 92752408 FSPSLDXNZFWEHI-BMIGLBTASA-N 307.825 3.322 10 10 DGCE Cc1ccc([C@@H](C)NC[C@H]2c3ccccc3C(=O)N2C)c(O)c1C 528002025 KVEBQUOFCQRBMZ-KDOFPFPSSA-N 324.424 3.487 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)c1cnc(O)cc1C 801551968 VNDUEBIBCXRRDB-UHFFFAOYSA-N 314.385 3.244 10 10 DGCE CCOC[C@H](O)COc1ccc(N2CCCCC2)c(Cl)c1 817570958 LNTGPKODDQNEHD-ZDUSSCGKSA-N 313.825 3.107 10 10 DGCE CCN1CC[C@H](N(C)Cc2ccc(N(C)C)c(C)c2)[C@@H](C)C1 815070934 APJVSZIONUVRRC-LPHOPBHVSA-N 303.494 3.223 10 10 DGCE C1=C[C@H]2CC[C@H]1[C@@H]1CN(Cc3ccc(N4CCOCC4)cc3)C[C@H]12 824677398 CZIGBLRVNGATCR-QIJZPMMNSA-N 324.468 3.167 10 10 DGCE O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1C[C@H]1C(F)(F)F 822495873 RLOLKDJHLBLXNX-ZIAGYGMSSA-N 312.335 3.101 10 10 DGCE COc1ccc(N2CCCN(C(=O)[C@@H]3CCC3(C)C)CC2)cc1 822919855 PBHLFEMIXDABSQ-KRWDZBQOSA-N 316.445 3.170 10 10 DGCE CN(C)c1ccc(/C=C\CNC2CCN(CC(F)F)CC2)cc1 835037561 QPZBZXXKYSHGKL-ARJAWSKDSA-N 323.431 3.085 10 10 DGCE Cc1cccc([C@H]2[C@@H](C(=O)O)CCN2C(=O)OC(C)(C)C)c1O 1952824932 FYDMBZVAOOADFZ-STQMWFEESA-N 321.373 3.083 10 10 DGCE C[C@@H](NCC[C@@H](N(C)C)C(F)(F)F)c1c(O)cccc1F 926959315 RHONCEPLKLKZMH-BXKDBHETSA-N 308.319 3.065 10 10 DGCE CCN(C(=O)c1cc(O)cs1)[C@H](C)[C@H](O)c1ccccc1 854564438 YMTGQOUMTHNNAO-ABAIWWIYSA-N 305.399 3.038 10 10 DGCE C[C@H](NCC1(O)CCC(F)(F)CC1)c1cc(F)cc(F)c1O 850565940 HYLPDLWPLJNBQD-VIFPVBQESA-N 321.314 3.261 10 10 DGCE CCO[C@H](CN(Cc1ccccc1O)C[C@H]1CCCO1)C1CC1 859191132 WQKXZRNMAFJBKC-IEBWSBKVSA-N 319.445 3.188 10 10 DGCE Oc1c(F)cc(F)cc1CN[C@@H]1c2ccccc2OC[C@@H]1F 922520844 FTHCCNVIDWBIQF-DZGCQCFKSA-N 309.287 3.232 10 10 DGCE COc1ccc(N2CCC(NC[C@@]3(C)CC3(F)F)CC2)cc1 850379385 NHQRGTZTOQMEAW-MRXNPFEDSA-N 310.388 3.299 10 10 DGCE COCC1(C(=O)NCc2ccc(N(C)C)c(F)c2)CCCCC1 857086648 OXRNLASFXQFPBX-UHFFFAOYSA-N 322.424 3.105 10 10 DGCE Cc1ccc(/C=C\C(=O)N2CCc3cc(F)c(F)cc32)cn1 754119851 WONHROBFXDCUEX-PLNGDYQASA-N 300.308 3.271 10 10 DGCE COc1ccc(N2CC[C@H](NCc3sccc3C)C2)cc1 850345581 FMYNRYJMRRASFE-AWEZNQCLSA-N 302.443 3.434 10 10 DGCE Nc1ccc(NC2CC(NC(=O)OCc3ccccc3)C2)cc1 1954637922 HUNWUJDBGMEQKJ-UHFFFAOYSA-N 311.385 3.138 10 10 DGCE CC(C)(C)OC(=O)C[C@@H]1CCCN(Cc2cc(F)ccc2O)C1 779029614 QNZFEGQRTDAALU-ZDUSSCGKSA-N 323.408 3.475 10 10 DGCE C[C@@H](NCCc1cnc(C2CC2)nc1)c1ccc(N(C)C)cc1 773107538 XEYDABVMLORIQN-CQSZACIVSA-N 310.445 3.313 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N2C3CCC2(CO)CC3)cc1 1119715426 UPOJPSYCTOAVPP-UHFFFAOYSA-N 324.424 3.224 10 10 DGCE Cc1cc(Cl)cc(CN[C@@](C)(CO)c2ccccc2)c1O 776176097 XXTVZTVTRGAQEI-KRWDZBQOSA-N 305.805 3.351 10 10 DGCE O=C(N1Cc2cccc(O)c2C1)[C@]1(c2ccccc2)C[C@@H](F)C1 881428610 HSURSJYCKCUGOR-RHDGDCLCSA-N 311.356 3.304 10 10 DGCE COc1cc(O)c(CN[C@@H]2CCc3c(F)cccc32)cc1OC 895853841 IJCVTUZIMVQSCF-OAHLLOKOSA-N 317.360 3.326 10 10 DGCE CC1(C)[C@H]2CN(C(=O)c3cc4cc(O)c(O)cc4s3)C[C@@H]21 896683105 GDBYOIRCRYPFNN-UWVGGRQHSA-N 303.383 3.041 10 10 DGCE COc1cccc(CNCc2cc(C)cc(OC)c2OC)c1O 894766872 WGOMDAQPXCQWPV-UHFFFAOYSA-N 317.385 3.016 10 10 DGCE CN(C)c1ccc(CN2CCCC[C@@H]([C@H]3CCOC3)C2)cc1 1308145958 RXTKQKOSMZJYAF-MSOLQXFVSA-N 302.462 3.391 10 10 DGCE Cc1cccc(F)c1C(=O)NCc1ccc(N(C)C)c(F)c1 1319050670 MHNFIMOXUJEYLD-UHFFFAOYSA-N 304.340 3.269 10 10 DGCE Cc1cc(CN[C@@H]2C[C@@H](O)C2(C)C)ccc1N1CCCCC1 1170398513 DETYWJAITZHUHS-QZTJIDSGSA-N 302.462 3.234 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F 1328482740 QVMGAAXULBNMTG-JFUSQASVSA-N 315.747 3.343 10 10 DGCE CO[C@H]1CCN(c2ccc([C@@H](C)N)c(Br)c2)[C@H]1C 1914273396 YMJJMWCBXURRMN-BFVZDQMLSA-N 313.239 3.082 10 10 DGCE COc1ccc(C(=O)Nc2c(Cl)ccc3nonc23)cc1C 1531533455 LCMUQDXMQLGOCE-UHFFFAOYSA-N 317.732 3.446 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2ccc(C)c(Cl)c2N)c1 1629740946 UMXAYDGPNXJVFV-UHFFFAOYSA-N 304.777 3.175 10 10 DGCE CC/C(C)=C\C(=O)N[C@@H](C)CCNCc1ccc(OC)c(C)c1 1732692744 IEXOCOONCGCGSI-QBOMHBFWSA-N 318.461 3.344 10 10 DGCE O=C(NCc1ccc(C2CCC2)cc1)c1c(F)ccc(O)c1O 1648713536 YLDSDVLNCDIGLZ-UHFFFAOYSA-N 315.344 3.434 10 10 DGCE CCOC(=O)c1sc(NC(=O)c2cc(O)cs2)cc1C 1642546647 DGAXRBXBIXZDOO-UHFFFAOYSA-N 311.384 3.253 10 10 DGCE CCCCNC(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1 1586994740 MUQSSQQGIHAAGK-UHFFFAOYSA-N 312.413 3.365 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@@H](C)c2ccccn2)cc1 1596579270 ZXBMKEXHAPHNBI-HNNXBMFYSA-N 311.429 3.348 10 10 DGCE CC(=O)[C@H](/N=N/c1ccc(C)cc1N)C(=O)Nc1ccccc1 205940549 UUKBCKHJODVMHL-BZROSYFNSA-N 310.357 3.257 10 10 DGCE COc1cc(CN(C)Cc2ccc(Cl)nc2)c(O)cc1C 159721977 IBZPLLQETOWWGU-UHFFFAOYSA-N 306.793 3.390 10 10 DGCE COc1ccc(/N=N/N(C)CCc2ccncc2)c(OC)c1 1860483253 KUYRTPGJLMZBBZ-VHEBQXMUSA-N 300.362 3.272 10 10 DGCE Cc1ccc(NC(=O)CNCc2cc(Cl)ccc2O)c(F)c1 1857858439 XNMMQWLSIZYTLO-UHFFFAOYSA-N 322.767 3.221 10 10 DGCE CC[C@@H](CN(C)Cc1ccc(N)cc1)NC(=O)OC(C)(C)C 1961907292 KKHCGDVUWAAOEK-HNNXBMFYSA-N 307.438 3.004 10 10 DGCE CC(C)(C)OC(=O)N[C@]12CCCC[C@@H]1CN(CCN=[N+]=[N-])C2 1962288596 YUVZDVLVSPQIQF-DOMZBBRYSA-N 309.414 3.066 10 10 DGCE OC[C@H](CNCc1cc(Cl)cc(Cl)c1O)C1CCC1 1972472850 RCRPPXZFQUBKGW-NSHDSACASA-N 304.217 3.197 10 10 DGCE CN[C@H]1CCCc2cc(N(CCO)Cc3ccccc3)ccc21 1986600167 KQZXRHRYVWCFLA-FQEVSTJZSA-N 310.441 3.282 10 10 DGCE CC[C@H](O)CN(Cc1ccccc1)c1ccc2c(c1)CC[C@H]2N 1986609283 KGXMWPQIUCCKOY-AZUAARDMSA-N 310.441 3.410 10 10 DGCE CNCc1cc(F)c(N(C)C[C@@H]2SCC[C@@H]2C)c(F)c1 2150867988 MPBMDYNVBGSWIF-HZMBPMFUSA-N 300.418 3.262 10 10 DGCE COCCNCc1ccc(N2CCSC[C@@H]2C)c(Cl)c1 164093370 BYGVAQSOUAFTBY-LBPRGKRZSA-N 314.882 3.018 10 10 DGCE C[C@@H]1COCC[C@H]1N(C)Cc1c(O)cccc1Br 2031922439 XLBZVLSMGJPIBP-ZWNOBZJWSA-N 314.223 3.012 10 10 DGCE C[C@@]1(F)CCCN(c2cc(Br)c(CN)cc2F)C1 2034773851 HVLYXVBCHXSFQA-CYBMUJFWSA-N 319.193 3.375 10 10 DGCE C[C@H]1CCO[C@@H]1CN(C)Cc1cc(Br)ccc1O 2034984720 LTBPNLPUCNZMTC-IINYFYTJSA-N 314.223 3.012 10 10 DGCE COc1ccc(N2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c(N)c1 687236325 BCBUPDCAOFIMMS-CALCHBBNSA-N 323.440 3.131 10 10 DGCE CO[C@H]1CCC[C@@H]1N(C)Cc1c(O)cccc1Br 687463078 MEEISAMOWXREOP-JSGCOSHPSA-N 314.223 3.154 10 10 DGCE Oc1c(F)cc(Br)cc1CNc1cncc(F)c1 715815702 YYDJADVIYJGBSI-UHFFFAOYSA-N 315.117 3.440 10 10 DGCE CN(C)c1ccc(CNCc2coc(Br)c2)cc1 393556007 QFBSYYLCMCTNEH-UHFFFAOYSA-N 309.207 3.398 10 10 DGCE CCOC(=O)c1cnn([C@H](C)c2c(O)cccc2OC)c1Cl 2070386332 WZMAWJOIISMPFM-SECBINFHSA-N 324.764 3.037 10 10 DGCE C[C@H](O)c1cc(F)c(N(C)C[C@H](F)C(F)(F)F)c(F)c1 2194506971 AYADULPCTLWKIW-WKEGUHRASA-N 301.230 3.355 10 10 DGCE Nc1cccc(Br)c1N[C@H](CO)[C@@H]1CC=CCC1 2075333647 GGFVDNYZUUICRW-ZWNOBZJWSA-N 311.223 3.160 10 10 DGCE CCN[C@@H](C)c1ccc(N(CCO)Cc2ccccc2)c(F)c1 302932824 PGLKTQPAZRKOFH-HNNXBMFYSA-N 316.420 3.495 10 10 DGCE CCCNCc1cc(F)c(N(CCOC)C(C)C)c(F)c1 123500558 CFKUFNQVNIAMEX-UHFFFAOYSA-N 300.393 3.326 10 10 DGCE CC[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1cccs1 180687003 KUPFJEJYHRFOFA-WAFBPQNNSA-N 303.383 3.440 10 10 DGCE CCC[C@@H](CC)NC(=O)N1CCN(c2ccc(OC)cc2)CC1 195286149 TTWZIBDXBKRMCC-OAHLLOKOSA-N 319.449 3.106 10 10 DGCE COc1ccc(CN2CCO[C@@H](c3ccccc3F)C2)c(O)c1 92975416 RJRBKSXPGWHIKK-GOSISDBHSA-N 317.360 3.113 10 10 DGCE COc1cccc(CNC(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)c1O 246357845 PQQAQMGJMLASFU-MBNYWOFBSA-N 306.406 3.025 10 10 DGCE CNCc1ccc(N2C[C@@H]3CCCCN3C[C@H]2C)c(Cl)c1 251678710 HSAIJTRUEMSZDC-HIFRSBDPSA-N 307.869 3.122 10 10 DGCE COCC[C@H]1CCCCN(Cc2cc(OC)c(OC)cc2O)C1 375105525 NMZWZDPVPWGJCW-CQSZACIVSA-N 323.433 3.048 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)/C=C/c1cnccn1 282455590 JCYBXPNPUVOGLP-CMDGGOBGSA-N 311.385 3.024 10 10 DGCE CC[C@@H](NCc1ccc(N2CCCCC2)cc1)[C@@H](O)C(F)F 295015381 JWLCVJAOFVIING-HZPDHXFCSA-N 312.404 3.171 10 10 DGCE CO[C@@H](COC(=O)c1cc(C)n(-c2ccccn2)c1C)C(C)C 816355494 JVRGQOMJXQQITC-INIZCTEOSA-N 316.401 3.317 10 10 DGCE CO[C@H]1CC[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C1 822897842 CUPRNLLEUWJSPY-AEFFLSMTSA-N 318.461 3.305 10 10 DGCE CN(C)c1ccc(/C=C\CN(C[C@H]2CCOC2)C2CC2)cc1 835026206 SEFLBXDXDNVXAX-CWIOURORSA-N 300.446 3.267 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CCC[C@]3(CCOC3)C2)c1O 832343801 LVQMNVYBYSIFLU-KRWDZBQOSA-N 323.820 3.251 10 10 DGCE COc1cc(Cl)cc(CN2CCCC[C@@H]2[C@@H]2CCNC2)c1O 841086054 GCUMAVLJSYCPOA-IUODEOHRSA-N 324.852 3.018 10 10 DGCE Oc1c(Br)cc(Cl)cc1[C@@H]1CC(F)(F)CN1 1952722457 CVNIXZZLWGODDY-QMMMGPOBSA-N 312.541 3.478 10 10 DGCE CCc1cccc(CN2CCC3(C2)Oc2ccccc2O3)c1O 848912411 QUPMXRNOLZYQTC-UHFFFAOYSA-N 311.381 3.328 10 10 DGCE C[C@@H](CNCc1cc(Cl)cc([N+](=O)[O-])c1O)CC(F)F 842727693 QIDMLPXAZMYBDJ-SSDOTTSWSA-N 308.712 3.335 10 10 DGCE CCN(CC)c1ccc(CNC(=O)N(C)Cc2ccc[nH]2)cc1 747495756 OAWIQRCPMZHGLL-UHFFFAOYSA-N 314.433 3.203 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@H](C)[C@@H]3C[C@H]3C3CC3)C2)cc1 858187369 TXSHRAYYRZDCNO-MDUILUSMSA-N 300.446 3.298 10 10 DGCE Oc1ccccc1CN1CC[C@H](Oc2ccc(C3CC3)cn2)C1 858013757 FJSZZFWYDUDSDW-KRWDZBQOSA-N 310.397 3.318 10 10 DGCE Cc1ccc(O)c([C@H](C)NC[C@@]2(C(F)(F)F)CCCN2)c1 925855864 PROGJTOGTTXADC-SMDDNHRTSA-N 302.340 3.036 10 10 DGCE O[C@@H]1CC[C@@H]2CN(c3ccc(OCc4ccccc4)cc3)C[C@H]21 1899866871 RYOSBEJJXGUDDL-NSISKUIASA-N 309.409 3.473 10 10 DGCE c1cc(N2CCSCC2)ccc1CN[C@H]1COC2(CCC2)C1 850424586 LHYHJPIBKVJYNK-MRXNPFEDSA-N 318.486 3.041 10 10 DGCE Cc1cc(C)c([C@H](C)N[C@H]2C[C@@H]3OC(C)(C)O[C@@H]3C2)c(O)c1 927056168 JEKWDFLFGOMVFM-DARAHFNDSA-N 305.418 3.342 10 10 DGCE C[C@H](NC[C@H](C)c1ccncc1)c1cc([N+](=O)[O-])ccc1O 756633238 GUYPLBAMPLLNGJ-RYUDHWBXSA-N 301.346 3.150 10 10 DGCE CCCC[C@@H](COC)N[C@@H]1CCN(c2ccc(OC)cc2)C1 850488901 PDNQXYRPVIPUGU-CVEARBPZSA-N 306.450 3.069 10 10 DGCE CC[C@@H](NCCc1cncc(C)n1)c1cccc(Cl)c1O 850549634 IQNCLSTYNTWWDE-OAHLLOKOSA-N 305.809 3.427 10 10 DGCE COC1CCC(CN[C@H](C)c2cc([N+](=O)[O-])ccc2O)CC1 756643592 WCTFVWDAROVQMI-LKSINWNRSA-N 308.378 3.156 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)CC2CCC2)c1 868983468 DXFRVSJITLUVRW-NEPJUHHUSA-N 306.406 3.340 10 10 DGCE CCO[C@H](C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)C(C)C 862002516 UBBTUSGNHNIJKA-QAPCUYQASA-N 320.477 3.169 10 10 DGCE CCN(C)c1ccc(CN2CC[C@H](C(=O)O)[C@H]3CCC[C@@H]32)cc1 863475145 IOFDCINZYWSQNN-SQNIBIBYSA-N 316.445 3.218 10 10 DGCE CCN(C)c1ccc(CN2CC[C@H](C(C)(C)C)[C@@H](O)C2)cc1 773832306 OSPWOZNYJMAJKO-ROUUACIJSA-N 304.478 3.372 10 10 DGCE O=C(NCC[C@H]1CCCS1)c1cc2cc(O)c(O)cc2s1 899168652 DVNSTHASLBNPET-SNVBAGLBSA-N 323.439 3.328 10 10 DGCE Nc1ccc(CCc2nc(COCc3ccccc3)no2)cc1 395544856 UIIXTOBEVLEMKR-UHFFFAOYSA-N 309.369 3.154 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1Nc1c(N)cccc1F 1959370391 MBSRYAXFEBGCEB-MFKMUULPSA-N 309.385 3.075 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](Nc3ccc(N)cc3)[C@H]1C2 1959358415 BBPVXNSDRAORMB-NILFDRSVSA-N 303.406 3.079 10 10 DGCE Cc1ccc(O)c(CNC(=O)Cc2cc(-c3ccccc3)on2)c1 1301047415 XCKGGQCQRKXZAT-UHFFFAOYSA-N 322.364 3.215 10 10 DGCE CN1CCN(c2ccc(CN3CCC34CCCC4)cc2F)CC1 1327304304 DOLNMRCIPDCALI-UHFFFAOYSA-N 317.452 3.096 10 10 DGCE C[C@H](NC(=O)NCc1cc(Cl)ccc1O)c1cccc(O)c1 1246582840 JNAROLPRJABLKM-JTQLQIEISA-N 320.776 3.312 10 10 DGCE CO[C@H]1CC[C@@H](C)N(Cc2cc(Cl)cc(C(C)=O)c2O)C1 1196887132 FWACKQCCARECAJ-YGRLFVJLSA-N 311.809 3.248 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCN(Cc2sncc2Br)C1 1912173290 KRDQFKVVLARTIZ-ZETCQYMHSA-N 302.201 3.038 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)NCCn1cccc1 1544806883 DLLDTBJOLSQLCY-UHFFFAOYSA-N 313.426 3.387 10 10 DGCE Cc1nc2ccc(NC(=O)Cc3ccc(O)c(O)c3)cc2s1 1540290932 CJFBWHXLJZYDRG-UHFFFAOYSA-N 314.366 3.197 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)c1ccc2[nH]ccc2c1 1628667381 UTQHJWDXEMWJGY-UHFFFAOYSA-N 300.745 3.457 10 10 DGCE CC[C@@H](C)N(CCOC)Cc1cc(Cl)cc(OC)c1O 228629720 PBEJSMBKXPDTIR-LLVKDONJSA-N 301.814 3.301 10 10 DGCE CCc1nccc(NCc2cccc(Br)c2O)n1 1639875040 YSTLDSQISCENOI-UHFFFAOYSA-N 308.179 3.119 10 10 DGCE Cc1ccc(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c(O)c1O 1637068580 FNJMXWYGZLRWHN-UHFFFAOYSA-N 316.313 3.184 10 10 DGCE Cc1c(C(=O)N2Cc3cccc(O)c3C2)cnn1-c1ccccc1 1644088542 YZWPUFRCLKWENT-UHFFFAOYSA-N 319.364 3.042 10 10 DGCE Cc1cc(CCNC(=O)c2ccc(C)c(O)c2O)ccc1Cl 1641375067 BYJPODFSFMVFPG-UHFFFAOYSA-N 319.788 3.341 10 10 DGCE CC[C@H](CO)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 1655319216 IRHOESBQUJSRAW-CYBMUJFWSA-N 314.341 3.009 10 10 DGCE COc1ccc(N(C)CCN(C)C[C@H]2CCC(C)(C)O2)cc1 1654113891 BORYRPAMTUGOTH-QGZVFWFLSA-N 306.450 3.021 10 10 DGCE C[C@@H](NC(=O)NC[C@@H]1C[C@H]2C=C[C@H]1CC2)c1ccccc1O 1686839654 LJTCDCJOOHSKSB-QPSCCSFWSA-N 300.402 3.355 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@H]1C[C@]12CCCOC2 1896386913 HGRABZLSXCTIRI-JSGCOSHPSA-N 302.201 3.358 10 10 DGCE C[C@@H](NC(=O)OC(C)(C)C)C1CCN(CCCN=[N+]=[N-])CC1 1962305398 RUFFCWQYTDHHTH-GFCCVEGCSA-N 311.430 3.312 10 10 DGCE CCN[C@](CCCSc1nccs1)(C(=O)OC)C(C)C 2144125254 IOLAZPOWIQPCKF-AWEZNQCLSA-N 316.492 3.193 10 10 DGCE CC(C)c1cc(CNCc2ccc(Br)cc2O)[nH]n1 1971348446 JJXPTYJFLJIRAK-UHFFFAOYSA-N 324.222 3.291 10 10 DGCE CCCN[C@H](c1ccccc1O)[C@@H](O)c1ncc(Cl)s1 2148161776 HEXTZIGEMVNWQN-CHWSQXEVSA-N 312.822 3.276 10 10 DGCE CN(C)c1ccc([C@H](N)CN(C(=O)OC(C)(C)C)C2CC2)cc1 1977945878 QULSTJKTIORZIK-MRXNPFEDSA-N 319.449 3.152 10 10 DGCE [N-]=[N+]=NCC1CCN(Cc2csc(Br)n2)CC1 2004969653 QLHHPYKJNIQUSC-UHFFFAOYSA-N 316.228 3.428 10 10 DGCE CN[C@@H](c1ccccc1O)[C@H]1CC=CCN1C(=O)OC(C)(C)C 1980937007 BGKJJLAEWOGVDD-ZBFHGGJFSA-N 318.417 3.218 10 10 DGCE C[C@@H](O)CN(Cc1ccccc1)c1ccc2c(c1)CCC[C@H]2O 1986598834 AKFCMLSYWSFWDF-FOIQADDNSA-N 311.425 3.444 10 10 DGCE N[C@@H](c1ccccc1O)[C@@H](O)c1cc(Cl)sc1Cl 2031158828 KDGQKACPEASCDA-QWRGUYRKSA-N 304.198 3.494 10 10 DGCE C[C@H]1COCC[C@@H]1N(C)Cc1c(O)cccc1Br 2031922436 XLBZVLSMGJPIBP-GWCFXTLKSA-N 314.223 3.012 10 10 DGCE CCCN(CCCO)c1ccc([C@H](C)O)c(Br)c1 2032096873 UUFMNMPBGAVYLD-NSHDSACASA-N 316.239 3.101 10 10 DGCE N[C@@H](CSc1nccs1)c1ccc2c(c1)OCCCO2 81897335 SORVNVQPJVKWAB-NSHDSACASA-N 308.428 3.097 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@H]1C[C@H]2CC[C@H]1O2 381671579 QOLXIBQSFYSPBG-XTWCZFFVSA-N 302.201 3.356 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CCC(F)(F)[C@@H]2C)c1O 2172079940 MISDHJUGFLMTMM-VIFPVBQESA-N 303.736 3.478 10 10 DGCE COc1cnn(Cc2ccc(Cl)cc2O)c1Br 2070299921 NBRMBKGGPWNYMS-UHFFFAOYSA-N 317.570 3.062 10 10 DGCE COC(=O)c1cnc(Sc2nc3ccc(C)cc3[nH]2)s1 2182633337 UMHSSNOZNZRPHM-UHFFFAOYSA-N 305.384 3.266 10 10 DGCE CC[C@H]1CC[C@H](CNCc2ccc(Br)cc2O)O1 2081665055 AGOYPBCHEJVPSE-QWHCGFSZSA-N 314.223 3.202 10 10 DGCE CNCc1ccc(N2C[C@@H]3CC[C@@]3(C)C2)c(Br)c1 2086875775 DRXXALOFWCQSPS-WFASDCNBSA-N 309.251 3.405 10 10 DGCE CCc1nn(C)c(NCc2ccccc2O)c1Br 2219666772 JLOQOMRDCLYGML-UHFFFAOYSA-N 310.195 3.063 10 10 DGCE COc1ncc(CN(C)c2ccc([C@H](C)N)c(Cl)c2)s1 2239973921 ZRNLFHDOFIIXHL-VIFPVBQESA-N 311.838 3.461 10 10 DGCE C[C@@H](O)c1ccc(N(C)CC[C@H]2CCO2)c(Br)c1 2264012364 UIJJKLGCYGUTRT-PWSUYJOCSA-N 314.223 3.118 10 10 DGCE Cc1cc(O)ccc1N1C(=O)C(=Cc2ccc[nH]2)SC1=S 2321623689 HBQTXEYVUMKJFU-UHFFFAOYSA-N 316.407 3.435 10 10 DGCE COc1ccc(CCN(C)CCN=[N+]=[N-])c(Br)c1 2317165984 QFBRLZOXLHWLAA-UHFFFAOYSA-N 313.199 3.242 10 10 DGCE CO[C@@H]1CC[C@H]1N(C)Cc1ccc(C)c(Br)c1O 2327609888 QCKIOEJQXAMDIR-VXGBXAGGSA-N 314.223 3.072 10 10 DGCE Cc1ccccc1-n1c(C)cc(C(=O)N[C@H]2CCC[C@H]2O)c1C 178604074 PHHTYPPUOJQJIV-FUHWJXTLSA-N 312.413 3.046 10 10 DGCE CN(Cc1ccccc1O)C(=O)N[C@H](c1nccs1)C1CC1 175925860 APRMNUQDIKNWAW-AWEZNQCLSA-N 317.414 3.141 10 10 DGCE CC[C@H](c1cc(Br)ccc1O)N1CC[C@@H](N)[C@@H]1C 310668266 HJXKJLAHXFLLQL-ZWKOPEQDSA-N 313.239 3.027 10 10 DGCE Cc1nn(C)cc1NC(=O)c1sccc1-n1c(C)ccc1C 172857053 QMGWEBHIJQYTLW-UHFFFAOYSA-N 314.414 3.450 10 10 DGCE COC(=O)/C=C/c1ccc(N2CC[C@H](C)[C@@H](C)C2)c([N+](=O)[O-])c1 301926881 MZUXGIHIGHAHSX-YTDWTQRBSA-N 318.373 3.263 10 10 DGCE Cc1cc(Cl)ccc1OCC(=O)N(C)c1ccc(N)cc1 37274600 IXHAOTLVSHTGQT-UHFFFAOYSA-N 304.777 3.272 10 10 DGCE C[C@H](c1cc(Br)ccc1O)N(C)Cc1nccn1C 134108048 YGBDREVLNQJQDS-SNVBAGLBSA-N 324.222 3.081 10 10 DGCE CC(C)N[C@@](CSc1nccs1)(C(=O)O)[C@H]1CC1(C)C 2366587053 OOZQYBDXULAYGR-IINYFYTJSA-N 314.476 3.103 10 10 DGCE CC[C@H](N[C@H]1c2ccccc2C[C@H]1O)c1ccc(N(C)C)cc1 246873865 DCUIXZLUPVLNKX-ZCNNSNEGSA-N 310.441 3.452 10 10 DGCE CN1CC[C@H](N[C@H]2CCc3cccc(O)c32)[C@H]1c1ccccc1 296966957 RIVSVHUUHRAUJE-ABSDTBQOSA-N 308.425 3.415 10 10 DGCE CN1CCCc2cc([C@@H](NN)c3ccc(Cl)s3)ccc21 2163093409 BKRLVGWOJHITPX-OAHLLOKOSA-N 307.850 3.337 10 10 DGCE CO[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 816180108 FTDKIHATECDHLD-RRQGHBQHSA-N 304.434 3.135 10 10 DGCE Cc1cccc2c1OCC[C@H]2NC(=O)NCc1ccccc1O 726250716 BCRRJCPJGVVHGW-OAHLLOKOSA-N 312.369 3.024 10 10 DGCE C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1CCC(F)CC1 824689130 ZQCSRHMHASGXGK-XSRFYTQQSA-N 320.368 3.496 10 10 DGCE Cc1nccn1CCCCNC/C=C\c1ccc(N(C)C)cc1 835041511 XUBDEOZZLGIDMY-SREVYHEPSA-N 312.461 3.341 10 10 DGCE Cc1ccc([C@@H](C)NC(=O)/C=C\c2ccc(O)c(O)c2)cc1F 588407818 YYUZPIRLAULXIA-VVEJJEBESA-N 315.344 3.436 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@@H](CO)c2ccc(F)cc2)cc1 835040910 VYXJHSXHJURGKF-LLHWWHOWSA-N 314.404 3.228 10 10 DGCE Cc1cc(O)c(CN2C[C@@H](N3CCCC3)C[C@@H]2C)c(Cl)c1 840948008 JIXYPYLQJQYIJB-KBPBESRZSA-N 308.853 3.413 10 10 DGCE COc1cccc([C@H](O)CNCc2c(O)cc(C)cc2Cl)c1 840896963 PCXHCBJJURYHLI-QGZVFWFLSA-N 321.804 3.186 10 10 DGCE Cc1ccc(O)c(CN[C@@H]2CCN(c3ccc(F)cc3)C2)c1 840978736 VLKNJOMPLZCNIP-MRXNPFEDSA-N 300.377 3.208 10 10 DGCE CC[C@@H](N[C@H]1C[C@@H]2OC(C)(C)O[C@@H]2C1)c1ccc(F)cc1O 927055853 HRLGVFGQGYMCIF-CUBALJKWSA-N 309.381 3.255 10 10 DGCE Cc1cc(O)c(CN2CCO[C@@H](C(F)(F)F)C2)c(Cl)c1 840918674 YAMQQQHDMJZUNE-GFCCVEGCSA-N 309.715 3.117 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@H](OC)C1 854374871 ZNTSDHKCQLLJEM-ZBFHGGJFSA-N 305.418 3.336 10 10 DGCE CC(C)c1ccccc1OCC(=O)NCc1c(O)cccc1F 928710254 RJFXEMHKOYNLIP-UHFFFAOYSA-N 317.360 3.350 10 10 DGCE C[C@H](NCC[C@H](N(C)C)C(F)(F)F)c1c(O)cccc1F 926959316 RHONCEPLKLKZMH-CABZTGNLSA-N 308.319 3.065 10 10 DGCE COc1ccc(N2CC[C@H](NCc3cccnc3Cl)C2)cc1 850345628 GMDFMAMPJLSKLB-AWEZNQCLSA-N 317.820 3.112 10 10 DGCE COc1cc(Cl)cc(CN2CCC[C@H]3COCC[C@@H]32)c1O 761203199 KWYNMPPILHLFIQ-FZMZJTMJSA-N 311.809 3.055 10 10 DGCE CO[C@H]1C[C@@H](CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 863773679 FNFBRIVIMAPEIU-RHNCMZPLSA-N 312.413 3.249 10 10 DGCE Cc1ccc(O)c(CNC(=O)[C@@H]2CC[C@@H](C(F)(F)F)C2)c1 862756347 WAWFFIXCUVPSOW-ZYHUDNBSSA-N 301.308 3.295 10 10 DGCE O=C(CC1CSC1)N(Cc1ccco1)Cc1ccccc1O 866595775 LUHCHIPELLKYIU-UHFFFAOYSA-N 317.410 3.267 10 10 DGCE COc1cc(NCc2cc(Cl)cc(OC)c2O)cnc1OC 862471432 DZRNORRTLMFPBU-UHFFFAOYSA-N 324.764 3.079 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCC(C)(C)O2)cc1 782073498 ZKMWDDZWAIHJQH-QGZVFWFLSA-N 318.461 3.449 10 10 DGCE Nc1ccc(Cc2nc(CCOCc3ccccc3)no2)cc1 395550318 DNZMYCZJGKUQIM-UHFFFAOYSA-N 309.369 3.002 10 10 DGCE NCc1ccc(N2C[C@H]3CCCC[C@H]32)c(F)c1Br 706787587 ZNQCOMDTNURYNP-GHMZBOCLSA-N 313.214 3.426 10 10 DGCE Cc1cc(N(C)C)ccc1CN[C@@H]1CCN(C)[C@@H]2CCC[C@H]12 796772262 PQWIAKNWJBEUHB-GUDVDZBRSA-N 301.478 3.023 10 10 DGCE C[C@@H]1[C@@H](NCc2cc(Br)cc(F)c2O)C[C@H]1C 715826785 JFYVYDVAWMGADL-LWINAJNOSA-N 302.187 3.428 10 10 DGCE O=C(NCc1cc(O)ccc1O)c1ccc(Cl)c2occc12 1303227701 OXGBROKKAALOJA-UHFFFAOYSA-N 317.728 3.427 10 10 DGCE COC(=O)c1cnc(Sc2cc(C)sc2[N+](=O)[O-])s1 1307127870 RVGBZWMRTMSDNS-UHFFFAOYSA-N 316.385 3.359 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)c1 1160080512 KGQCALRRVOHMPA-KVSKMBFKSA-N 324.424 3.452 10 10 DGCE Brc1cccnc1CNCc1ccc2c(c1)CCO2 1658163671 RTSDXHFFFJRBCA-UHFFFAOYSA-N 319.202 3.069 10 10 DGCE O=C(NCc1cccc(Cl)c1O)c1cc(Cl)ccc1O 1180409602 DXIXRNHYBQZACK-UHFFFAOYSA-N 312.152 3.335 10 10 DGCE C[C@@H](C(=O)O)N(Cc1ccccc1)Cc1cc(F)cc(F)c1O 1902397107 MVLXRXWMNPMTKW-NSHDSACASA-N 321.323 3.146 10 10 DGCE CN(C)c1ccc(CNC(=O)[C@H]2C[C@@H]2C2CCCC2)cc1F 1434913426 AIYOPOLTWQIVGV-CABCVRRESA-N 304.409 3.334 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@@H](C)O[C@H]2C)cc1F 1443764466 AQYYCGKOCXJIBM-VNHYZAJKSA-N 322.424 3.102 10 10 DGCE Cc1cccc(-n2c(C)cc(CNC(=O)c3cccnn3)c2C)c1 1531612970 ZHXCYEJXPHVLNN-UHFFFAOYSA-N 320.396 3.123 10 10 DGCE COc1ccc(NC(=O)OC(C)(C)C)cc1[C@H](CO)N=[N+]=[N-] 1535970512 QYFUNLGHHHIUHP-NSHDSACASA-N 308.338 3.386 10 10 DGCE Cc1ccc(C(=O)N[C@@H](C)c2ccccc2O)cc1[N+](=O)[O-] 1471194119 DIPCCCHCFRRUBD-NSHDSACASA-N 300.314 3.100 10 10 DGCE Cc1cccc(C2(C(=O)NCc3cc(O)ccc3O)CCC2)c1 1637122624 KGINREMECROWLJ-UHFFFAOYSA-N 311.381 3.144 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2oc(Br)cc2C)c1 1645800616 MRKBITBNWWXTJA-UHFFFAOYSA-N 324.174 3.295 10 10 DGCE C[C@H]1C[C@@H](Nc2ccc(N)cc2)CN(C(=O)OC(C)(C)C)C1 1959359741 PGXPRIFCJPUFLG-SWLSCSKDSA-N 305.422 3.326 10 10 DGCE CC[C@H](NCc1ccc(N2CCOCC2)cc1)[C@H]1CC1(C)C 1654775374 PEFWQIZOTAVPAM-MSOLQXFVSA-N 302.462 3.438 10 10 DGCE CC1(C)[C@@H](NC(=O)NCc2ccccc2O)[C@@H]1c1ccccc1 1674643747 JTMWPHZWVMQYLB-IRXDYDNUSA-N 310.397 3.384 10 10 DGCE COc1ccc(Br)c(CN2CC[C@](C)(F)C2)c1O 1964601425 UVXDWWVEFFIBLT-ZDUSSCGKSA-N 318.186 3.097 10 10 DGCE CCCNCc1ccc(N2CCOCC2)c(C(F)(F)F)c1 163652644 XWJBMEMWPFVRAF-UHFFFAOYSA-N 302.340 3.042 10 10 DGCE C[C@H](C1CC1)n1nccc1NC(=O)N(C)Cc1ccccc1O 156539672 VBZKHXLPPTVOMK-GFCCVEGCSA-N 314.389 3.224 10 10 DGCE CCCOc1ccc(/C=C2/C(=O)N(CC)N=C2C)cc1OCC 1865666948 WMVWVGCPYDAKGT-RVDMUPIBSA-N 316.401 3.496 10 10 DGCE CCCN1N=C(CC)/C(=C\c2cc(OC)ccc2OC)C1=O 1865668012 APBFMLZGJWPHGE-SDNWHVSQSA-N 302.374 3.105 10 10 DGCE Cc1cccc(NC(=O)CNCc2cc(Cl)ccc2O)c1 1857858066 NWXNAOBPZNVHBO-UHFFFAOYSA-N 304.777 3.082 10 10 DGCE Oc1c(Cl)cccc1CN[C@@H]([C@H]1CCOC1)C(F)(F)F 2143639554 VFVKMZQBQNOVQL-CABZTGNLSA-N 309.715 3.103 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]2CCC[C@H]2N1CCN=[N+]=[N-] 1962301793 WTGVSEWWFAXKEK-FRRDWIJNSA-N 309.414 3.064 10 10 DGCE C[C@@H]1CCN(c2ccc(N)cc2)C[C@H]1CNC(=O)OC(C)(C)C 1977966995 AXOJSELFLIPNIM-ZIAGYGMSSA-N 319.449 3.256 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H](O)c1ccc(N2CCCCC2)cc1 1977933837 HIHYBNZASWLBFG-MRXNPFEDSA-N 320.433 3.235 10 10 DGCE [N-]=[N+]=NC1CCN(C(=O)NCCCOCc2ccccc2)CC1 1981602967 MQIOUWGTLVAWPR-UHFFFAOYSA-N 317.393 3.078 10 10 DGCE Cc1cc(Br)cc(CN2C[C@H](F)C[C@@H]2C)c1O 1997688164 FKMDBEAVRCXPRF-JOYOIKCWSA-N 302.187 3.395 10 10 DGCE CC(C)c1nc(Sc2ncc(CNC(C)(C)C)s2)n[nH]1 2155334236 JWWPCOFHWLSUSM-UHFFFAOYSA-N 311.480 3.424 10 10 DGCE C[C@@H]1C[C@]1(F)CN(C)c1ccc(CN)cc1Br 2025729803 JQVJIPHRGAEUJG-RNCFNFMXSA-N 301.203 3.092 10 10 DGCE N[C@H](c1ccccc1O)[C@H](O)c1cc(Cl)sc1Cl 2031158826 KDGQKACPEASCDA-GHMZBOCLSA-N 304.198 3.494 10 10 DGCE Cc1nn(-c2ccc(O)c(O)c2)c(Br)c1C(F)F 2079690957 MITFOXOLBIPCGP-UHFFFAOYSA-N 319.105 3.292 10 10 DGCE CN[C@H](C)c1ccc(N2CC[C@](F)(COC)C2)c(Cl)c1 2179802026 CKGYHWJVGZJQER-IAQYHMDHSA-N 300.805 3.185 10 10 DGCE Cc1cc(CN)ccc1N(C)Cc1cc(Br)co1 2050629336 MKUXYWKPYFKDNY-UHFFFAOYSA-N 309.207 3.446 10 10 DGCE CC[C@H](C)CNCc1c(Br)ccc(OC)c1O 2214867432 OFEOZLAJNYDVFR-VIFPVBQESA-N 302.212 3.299 10 10 DGCE Nc1ccc(CCNc2cc(Br)cc(F)c2N)cc1 2224703763 DUWBEOCMLYQXBN-UHFFFAOYSA-N 324.197 3.407 10 10 DGCE COc1ccc(N2CC[C@@](CO)(C(F)(F)F)C2)cc1Cl 2235224535 XLKFWGYLOOWVRL-GFCCVEGCSA-N 309.715 3.100 10 10 DGCE O=C1C(=Cc2ccncc2)SC(=S)N1c1cccc(O)c1 2295993339 OZCASDSYBQKLDJ-UHFFFAOYSA-N 314.391 3.193 10 10 DGCE O=C(O)C1(Sc2nccs2)CC2(C[C@@H]2C(F)(F)F)C1 2351865666 QXGWFTOGROLQQO-OUBRSPPYSA-N 309.334 3.421 10 10 DGCE Cc1oc(C(=O)O)cc1COc1cc(Cl)ccc1[N+](=O)[O-] 51608767 QNWCOJAOWLPXPR-UHFFFAOYSA-N 311.677 3.427 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)C(=O)n1cc(N)c2ccccc21 170027649 JVGGWIABKDDTOZ-NSHDSACASA-N 310.353 3.154 10 10 DGCE Cc1cc(C(=O)N(C)Cc2cnccn2)c(C)n1-c1ccccc1 172159629 CMUXKSBYKISPHP-UHFFFAOYSA-N 320.396 3.156 10 10 DGCE COc1cccc2c(O)c(I)sc12 306641602 MONYHXDJXKGXGH-UHFFFAOYSA-N 306.124 3.220 10 10 DGCE Cc1ccc(NC(=O)c2cccc(O)c2O)c(Br)c1 126170900 FGTOOXPYVIDCBR-UHFFFAOYSA-N 322.158 3.421 10 10 DGCE CC[C@H](N)Cc1c(C(F)F)nn(C)c1Sc1nccs1 2365263143 XBVUEZQQAXGAAF-ZETCQYMHSA-N 318.418 3.245 10 10 DGCE CC[C@H]1CCCCCN1c1cc2c(cc1Cl)[C@@H](N)C(=O)N2 229597005 QDPNHLALKICXLZ-ZUZCIYMTSA-N 307.825 3.451 10 10 DGCE C[C@@H](CN[C@H](C)c1ccc(F)c(F)c1O)CN1CCCCC1 191211221 UGBPLIYJPPLYBJ-QWHCGFSZSA-N 312.404 3.443 10 10 DGCE C[C@H]1C[C@@H](C)CN(c2cc3c(cc2Cl)[C@@H](N)C(=O)N3)[C@@H]1C 229432539 HBRAXFAUSLJBCE-DRNSDYETSA-N 307.825 3.163 10 10 DGCE C[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1ccncc1 47902752 YNGZLACMLZYHFX-HNNXBMFYSA-N 324.428 3.242 10 10 DGCE CC[C@@](CCCSc1nccs1)(NC(C)C)C(=O)O 233989139 KWBMEZUVUSUWDJ-ZDUSSCGKSA-N 302.465 3.247 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@H]2CCO[C@@]3(CCSC3)C2)c1 248516742 OYHOBVWRQLINDC-DCGLDWPTSA-N 323.458 3.106 10 10 DGCE Oc1ccc(F)cc1CNCCc1cccc(C(F)(F)F)n1 816627473 OZWCXQXVIAVEGU-UHFFFAOYSA-N 314.282 3.277 10 10 DGCE CCc1cccc([C@H](C2CCCCC2)N2CCNCC2)c1O 575274715 QBXNOWSNALCWQL-SFHVURJKSA-N 302.462 3.481 10 10 DGCE CN(C)c1ccc(CN[C@H](CO)C2CCC2)c(C(F)(F)F)c1 826868057 PBSKJSMTZRAYNG-OAHLLOKOSA-N 316.367 3.022 10 10 DGCE CCc1cccc(CN2C[C@@]34CCCC[C@]3(COC4)C2)c1O 827849117 AAYGBMDCSZGHNX-RTBURBONSA-N 301.430 3.347 10 10 DGCE Cc1cc(C(=O)N[C@@H](C)[C@@H](C)N)c(C)n1-c1ccc(Cl)cc1 834820784 CUZDTAHSRUUHDJ-NEPJUHHUSA-N 319.836 3.213 10 10 DGCE COc1cccc([C@H](C)NCCC[C@@H]2CCCC[C@H]2O)c1O 846156915 PWPLGXOMKPXPPE-OFQRWUPVSA-N 307.434 3.383 10 10 DGCE NCc1ccc2c(c1)CCCN2Cc1cc2ccccc2nc1O 843057152 FGXJUGYPIYVITK-UHFFFAOYSA-N 319.408 3.352 10 10 DGCE Cc1cc(O)c(CN2CCC3(CC2)OCCCO3)c(Cl)c1 840948210 CAQASBQJONIOEH-UHFFFAOYSA-N 311.809 3.083 10 10 DGCE Cc1cccc(O)c1CN[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C 1894376556 OLJKQRHVVVQLGN-HIFRSBDPSA-N 320.433 3.188 10 10 DGCE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1Cc1ccc(N)cc1 1953009885 DSQCZUUQPHWYTQ-CYBMUJFWSA-N 312.360 3.456 10 10 DGCE CCN(CC)c1ccc(CN2C[C@@H](C)[C@](C)(CN)C2)cc1F 841090666 MJDKUNBTCMCNGJ-RDTXWAMCSA-N 307.457 3.089 10 10 DGCE Cc1cc(CN2CCC[C@@H]([C@@H]3CCCN3)C2)ccc1N(C)C 923327618 DWEFTRFJKUNNKB-MSOLQXFVSA-N 301.478 3.025 10 10 DGCE CCN1C[C@H](CSc2ncc(C(C)(C)C)s2)OC1=O 848432724 QABPQHIINPZVSF-SECBINFHSA-N 300.449 3.373 10 10 DGCE Cc1ccc(/C=C\C(=O)NCc2ccc(N(C)C)cc2C)cn1 754271992 WIHHHNREXINLLL-YFHOEESVSA-N 309.413 3.094 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc2c1C(=O)CC2 864634643 UDEJKYBJFLIISY-UHFFFAOYSA-N 322.408 3.154 10 10 DGCE CCOC(=O)C1=CC[C@H](NCc2c(O)cc(C)cc2Cl)C1 862489127 AEFYBNIIWCQYJY-LBPRGKRZSA-N 309.793 3.096 10 10 DGCE CC(F)(F)C(C)(C)C(=O)NCc1ccc2cccnc2c1O 862026476 PNMKWQVQVWZIMC-UHFFFAOYSA-N 308.328 3.238 10 10 DGCE CC(=O)c1c(NCc2ccc(N(C)C)cc2)cccc1[N+](=O)[O-] 763207799 ZCZMGVUMVWLWAK-UHFFFAOYSA-N 313.357 3.476 10 10 DGCE C[C@H](NCc1cc2c(O)nccc2o1)c1ccc(N(C)C)cc1 865530783 BKHYCJLEJGCITI-LBPRGKRZSA-N 311.385 3.450 10 10 DGCE C[C@@H](NCc1cccc2c1CCOC2)c1ccc(F)cc1O 866478374 HXJKOXLDXOZEKP-GFCCVEGCSA-N 301.361 3.455 10 10 DGCE COc1cc(N2CCC(CCF)CC2)c([N+](=O)[O-])cc1OC 866023066 HGJDFOSQQULWQV-UHFFFAOYSA-N 312.341 3.188 10 10 DGCE CC[C@H]1CCCCN1[C@H](C(=O)Nc1ccc(N)cc1)C(C)C 62461046 KDLILAFLJFHLON-IRXDYDNUSA-N 303.450 3.496 10 10 DGCE CN(C)c1ccc(CN2CCC[C@H]([C@H]3CCOC3)C2)cc1F 770374990 PMYCBBQNBZIEDN-HOTGVXAUSA-N 306.425 3.140 10 10 DGCE CC(=O)[C@@H](C)CCCCC(=O)NCc1cccc(Cl)c1O 890760510 RPVPDZGEEFALNO-NSHDSACASA-N 311.809 3.447 10 10 DGCE CC1(N2CCC2)CCN(Cc2cc(Cl)c(F)cc2O)CC1 895671067 MWJFMSFNIZLYBQ-UHFFFAOYSA-N 312.816 3.245 10 10 DGCE C[C@@H](N)c1ccc(N2CCO[C@H](C(F)F)CC2)cc1Cl 687572180 MJYCZNOHKQCQEH-RNCFNFMXSA-N 304.768 3.220 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 1135797913 WINPHICLVGYMON-QLFBSQMISA-N 303.402 3.115 10 10 DGCE C[C@@H](c1cc(Cl)ccc1O)N1CCO[C@@](C)(C(F)F)C1 698949433 JJHYSSNUKTWWHM-LKFCYVNXSA-N 305.752 3.463 10 10 DGCE C[C@H](NC(=O)c1cccc2c1OC(F)(F)O2)c1ccccc1O 1171737653 OVEIZHLRDXLDJZ-VIFPVBQESA-N 321.279 3.205 10 10 DGCE CCc1ocnc1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1356268437 ZJRHSDFSFJINFA-UHFFFAOYSA-N 313.401 3.109 10 10 DGCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCCCO2)c1 1447983164 MGTNUBNYZYKATC-UHFFFAOYSA-N 312.369 3.074 10 10 DGCE CO[C@@H](C)CNC(=O)c1cc(C)ccc1-n1c(C)ccc1C 1469921633 NSZJQZMMPFIKGJ-HNNXBMFYSA-N 300.402 3.167 10 10 DGCE C/C=C/COc1cccc(CC(=O)NCc2ccccc2O)c1 1566374198 YGHLUBIRCVYHPR-NSCUHMNNSA-N 311.381 3.206 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)NC1(c2cccc(Cl)c2)CC1 1586444180 IEPVVQWWZPMMGH-UHFFFAOYSA-N 317.772 3.099 10 10 DGCE COc1ccc(CNC[C@H](C)N(C)C(=O)CC2(C)CC2)cc1C 1698835877 CAQHHFLXHUBXPX-HNNXBMFYSA-N 318.461 3.130 10 10 DGCE O=C([C@@H]1CCCO1)N1CCn2c3c(c4ccccc42)CCC[C@H]31 1858183675 UCQZYRSJHUAPND-SJORKVTESA-N 310.397 3.040 10 10 DGCE Cc1ccccc1NC(=O)CNCc1cc(Cl)ccc1O 1857857826 JEKIRLUPWSZNLU-UHFFFAOYSA-N 304.777 3.082 10 10 DGCE C[C@@]1(F)CCCN(c2ccc(CO)c(Br)c2)C1 1946856116 BSIBPAQLCZBUTC-CYBMUJFWSA-N 302.187 3.270 10 10 DGCE C[C@@H]1CCN(c2ccc(CN)c(Br)c2)C[C@H]1F 1946916347 CBTOIZASKWSGBV-NOZJJQNGSA-N 301.203 3.092 10 10 DGCE Cc1cc(CO)ccc1N1CCCSC[C@H]1C(F)(F)F 2143612942 CQSSNEJRBASQQJ-ZDUSSCGKSA-N 305.365 3.362 10 10 DGCE CC(C)(C)OC(=O)NC[C@H]1CN(CCCN=[N+]=[N-])CC1(C)C 1962301469 VYAQCMRYYPEKIX-LBPRGKRZSA-N 311.430 3.170 10 10 DGCE CN(Cc1ccc(Br)cc1O)[C@@H]1CCC[C@@H]1F 2006800146 AYGSGLBCSQLBEN-NWDGAFQWSA-N 302.187 3.477 10 10 DGCE C[C@@H]1C(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)[C@H]1C 2033547024 HNLWLHYMFYOXBO-WDSKDSINSA-N 310.202 3.095 10 10 DGCE C[C@@H](O)c1ccc(N2CC(OCC(F)(F)F)C2)cc1Cl 687920193 CJIMRYVWQGVBHC-MRVPVSSYSA-N 309.715 3.161 10 10 DGCE C[C@@H]1[C@@H](N(C)C)CCN1Cc1cc(Cl)cc(Cl)c1O 381830480 IYAQVRXKSUOGBY-RNCFNFMXSA-N 303.233 3.223 10 10 DGCE CCNCc1cc(F)c(N(C)[C@H]2CS[C@@H](C)C2)c(F)c1 2189463177 SYKWZPCOTNXKNX-CMPLNLGQSA-N 300.418 3.405 10 10 DGCE C[C@H](NCc1ccccc1O)c1ccncc1Br 2056550923 ZZODHFUOGIUVQT-JTQLQIEISA-N 307.191 3.401 10 10 DGCE CCN(Cc1c(Br)cnn1CC)c1ccc(N)cc1 2094298424 OOYZLBJIFYQUQR-UHFFFAOYSA-N 323.238 3.274 10 10 DGCE C[C@H](N)c1ccc(N2CC3(CC=CCO3)C2)cc1Br 2094985432 PSGQKGKUYWSVIM-NSHDSACASA-N 323.234 3.004 10 10 DGCE COc1ccc(N(Cc2ccccc2)[C@H](C)CCO)c(C=O)c1 2211291501 CRYVDNQCVPRNRE-OAHLLOKOSA-N 313.397 3.285 10 10 DGCE COCCN([C@@H](C)COC)[C@H](C)c1ccc(Cl)cc1O 2203340343 YRWBCDYAEYXVHL-NWDGAFQWSA-N 301.814 3.090 10 10 DGCE COCC1(C)CC(NCc2cc(Br)ccc2O)C1 2261097980 WYYISTRJHWUQIU-UHFFFAOYSA-N 314.223 3.059 10 10 DGCE O=C(O)c1nc2c(CO)cccn2c1N=Nc1ccccc1F 2295926613 NCYOITIDPFEAGK-UHFFFAOYSA-N 314.276 3.079 10 10 DGCE CCc1ccc(NC(=O)C=Cc2ccc(O)c(O)c2)cc1F 2308005788 HCACETZWNROZEN-UHFFFAOYSA-N 301.317 3.451 10 10 DGCE Cc1cccc(O)c1CN=c1[nH]n(C(C)C)cc1Br 2341202134 IRFPDSMMRCFLSS-UHFFFAOYSA-N 324.222 3.275 10 10 DGCE Cc1ccc(CNCc2c(C)n[nH]c2C)c(O)c1Br 2352947529 ILZKLAPSXUXOMR-UHFFFAOYSA-N 324.222 3.093 10 10 DGCE CC(C)CN1C(=O)c2ccc(Oc3ccc(N)cc3)cc2C1=O 7448030 FFIOJVRTXVDYQC-UHFFFAOYSA-N 310.353 3.313 10 10 DGCE CNC(=O)c1ccc(C)c(N[C@@H](C)c2ccc(F)cc2O)c1 170789339 CRPFKWIPISTJIL-NSHDSACASA-N 302.349 3.372 10 10 DGCE O=C(O)c1cc(-c2ccccc2)sc1NC(=O)[C@H]1CCCO1 20335019 HOPKAYFUTSCGOH-GFCCVEGCSA-N 317.366 3.231 10 10 DGCE COC(=O)/C=C/c1ccc(N2CCCC3(CC3)C2)c([N+](=O)[O-])c1 302257945 ORLPDELIIPIFAF-GQCTYLIASA-N 316.357 3.161 10 10 DGCE Nc1ccc(N(C(=O)c2ccnc(O)c2)c2ccccc2)cc1 170224746 IMLOEOVBZHOGCQ-UHFFFAOYSA-N 305.337 3.348 10 10 DGCE CCN(c1ccc(N)cc1)S(=O)(=O)c1ccc(C)c(C)c1 63114513 WKHVYBUCARDCTN-UHFFFAOYSA-N 304.415 3.101 10 10 DGCE CN(C)c1ccc(/C=C\CN(CCO)Cc2ccccc2)cc1 33848668 CVLYLTKTMXXSRX-TWGQIWQCSA-N 310.441 3.260 10 10 DGCE CCOc1ccc2ncc3c(O)c(C(=O)OC)sc3c2c1 72237228 CPNOBBHLUJZTHP-UHFFFAOYSA-N 303.339 3.340 10 10 DGCE Nc1ccc(OCCC(=O)OCc2cccc(Cl)c2)cc1 41100784 CZNNYWBIPWWMSU-UHFFFAOYSA-N 305.761 3.435 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCC[C@H](F)C1 424693773 JOFXYGLMBGOJMT-OLZOCXBDSA-N 306.381 3.006 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](NCc2cccc(F)c2O)C1 382490596 CTHWMNCDCRZJMA-OLZOCXBDSA-N 324.396 3.067 10 10 DGCE CCN(c1ccc([C@H](C)N)c(Br)c1)[C@@H](C)COC 233486926 KOAHVBOYDIGZMO-QWRGUYRKSA-N 315.255 3.330 10 10 DGCE CN(c1ccc(CNC2CC2)cc1Cl)[C@@H]1CCCC[C@H]1O 252925057 MBQNBRACQJHRQQ-IAGOWNOFSA-N 308.853 3.332 10 10 DGCE C[C@H](N[C@@H]1CCc2cccc(O)c21)c1ccc(-n2cncn2)cc1 295853420 GDMBUCVADJVLIH-SUMWQHHRSA-N 320.396 3.311 10 10 DGCE Oc1cc(F)c(Cl)cc1CNCCCc1nccs1 293657202 PFZGRGDFJLPHIQ-UHFFFAOYSA-N 300.786 3.364 10 10 DGCE CC1(C)C[C@@H](O)CCN(Cc2cc(Cl)c(F)cc2O)C1 295331609 XPPDETJCTJKRAN-NSHDSACASA-N 301.789 3.168 10 10 DGCE CN(C)c1ccc([C@H](N)CN[C@H]2CCCc3ccccc3C2)cc1 817944202 YCPSLDQOALGBIK-PZJWPPBQSA-N 323.484 3.290 10 10 DGCE O=C(NCc1cccc(Br)c1O)[C@@H]1CC[C@@H]2C[C@H]2C1 817596687 MZHIJEXYMMNTIC-FOGDFJRCSA-N 324.218 3.207 10 10 DGCE Cc1cc(O)c(CN2CCC[C@@H](C(=O)NC(C)C)C2)c(Cl)c1 827674078 LJFYYXXVBJPECX-CYBMUJFWSA-N 324.852 3.091 10 10 DGCE O=C(NCc1ccccc1O)N[C@H]1CCc2c(F)cccc21 726238799 IMGNIZUWJCUYML-HNNXBMFYSA-N 300.333 3.018 10 10 DGCE Cc1nc(C2CCC2)sc1CC(=O)NCc1ccccc1O 901125167 TULOKRLNLHXTFA-UHFFFAOYSA-N 316.426 3.284 10 10 DGCE CN(C)c1ccc(/C=C/CNCCCc2nccs2)cc1 835045077 RSQZTKONBGGGRB-HWKANZROSA-N 301.459 3.445 10 10 DGCE Oc1cc2c(cc1CN1CCOC[C@@H]1c1ccccc1)CCC2 743403719 XGPCVQXXSGLNOZ-LJQANCHMSA-N 309.409 3.454 10 10 DGCE Cc1cc(O)c([C@H]2NC3(CC3)C(=O)N2c2ccccc2)cc1C 840831036 ZHUPIRBUYHMMMP-KRWDZBQOSA-N 308.381 3.177 10 10 DGCE Cc1cc(O)c(CNCc2nc(C(C)(C)C)n[nH]2)c(Cl)c1 840953524 UMBKAAVTLXCBHC-UHFFFAOYSA-N 308.813 3.059 10 10 DGCE C[C@@H]1C[C@@H](NCc2ccc(N)cc2)CN(C(=O)OC(C)(C)C)C1 1897115114 FMFZLPGAMMXSNX-CZUORRHYSA-N 319.449 3.004 10 10 DGCE C[C@@H]1[C@H]2CNC[C@@H]2CN1c1ccc(OCc2ccccc2)cc1 1899860947 PWXGSYDSQNHMIK-WRWLIDTKSA-N 308.425 3.310 10 10 DGCE CCOc1ccc(O)c(CN[C@H]2C[C@H](Oc3ccccc3)C2)c1 850375044 VMALSHKKFVOREX-RZDIXWSQSA-N 313.397 3.491 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C(C)C)C2CC2)c1 852649644 RDCLKFLHFFQNHR-ZBEGNZNMSA-N 306.406 3.196 10 10 DGCE Cc1cc(F)ccc1CN(C)C(=O)c1ccc(C)c(O)c1O 754697733 CJSWVTRGRKUSSL-UHFFFAOYSA-N 303.333 3.126 10 10 DGCE CC(C)[C@H](C)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 773145894 NTVKOJVDAURQAF-KRWDZBQOSA-N 315.505 3.353 10 10 DGCE CCN(CC)c1ccc(CNCc2c(C)ccnc2N)cc1F 894252671 MLKNTAFWTJLTMK-UHFFFAOYSA-N 316.424 3.247 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)N1CCC(C)CC1 799752911 WVMQWSPTCOTKJZ-UHFFFAOYSA-N 303.450 3.426 10 10 DGCE C[C@H]1CN(Cc2ccccc2)C[C@H]1CNCc1ccccc1O 708551279 KFHBBYFMQFTGRR-QFBILLFUSA-N 310.441 3.250 10 10 DGCE C[C@@]1(C(F)(F)F)CN(Cc2c(O)cccc2Cl)CCO1 712802012 NUPRHABHCHFIQC-LBPRGKRZSA-N 309.715 3.199 10 10 DGCE CCc1cccnc1CNCc1ccc(Br)cc1O 691439611 HLOMSJPQSMKLGL-UHFFFAOYSA-N 321.218 3.402 10 10 DGCE Cc1ncc(/C=C\C(=O)NCc2cccc(Cl)c2O)s1 1159041434 MSZJDHJEBXSOOW-WAYWQWQTSA-N 308.790 3.140 10 10 DGCE CN(C)c1ccc(CNC(=O)c2ccc(CF)cc2)cc1F 1351739191 WUSBWYNOSGNKDU-UHFFFAOYSA-N 304.340 3.291 10 10 DGCE CN(CCCN=[N+]=[N-])C(=O)c1csc(Br)c1 1912167749 OQWCMNLJBQGXEK-UHFFFAOYSA-N 303.185 3.283 10 10 DGCE Nc1ccc(OCCCOCCOCc2ccccc2)cc1 1910494912 SYMKAEQTBQEQGS-UHFFFAOYSA-N 301.386 3.271 10 10 DGCE CN(C)c1ccc(CNC(=O)c2cccc3scnc23)cc1 1351266113 PNMPTYCVFPFESQ-UHFFFAOYSA-N 311.410 3.292 10 10 DGCE CC[C@@H](NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C)[C@@H](C)O 1467991483 LTHSTNJXBQGWAX-CRAIPNDOSA-N 314.429 3.292 10 10 DGCE CC(=O)c1cc(F)cc(CN2CCc3cc(F)ccc32)c1O 1617539004 QOCAULSYAJXPJU-UHFFFAOYSA-N 303.308 3.436 10 10 DGCE C[C@@H]1CN[C@H](C)CN(Cc2cc(Cl)cc(Cl)c2O)C1 1921507685 JCUSJGKPCMRCDJ-NXEZZACHSA-N 303.233 3.129 10 10 DGCE C=C/C=C/CCN(CC(=O)OC)Cc1cc(Cl)ccc1O 1615936009 YLVDFCWAHIUBSS-SNAWJCMRSA-N 309.793 3.153 10 10 DGCE CCN(CC)c1ccc(CNC(=O)c2cccc(O)c2F)cc1 1543179295 FFPLDQGPYUVICZ-UHFFFAOYSA-N 316.376 3.308 10 10 DGCE COc1ccc(CN[C@H]2C[C@H](NC(=O)[C@H](C)C(C)C)C2)cc1C 1713960344 CKXMZORVQFNUEE-DJIMGWMZSA-N 318.461 3.033 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)c1ccnc(Cl)c1F 1628680564 MXXCWNTWDKJPCP-UHFFFAOYSA-N 315.131 3.163 10 10 DGCE CCNc1ccc(Cl)cc1C(=O)NCc1cccc(O)c1O 1633515504 DAGABRDNWZUGMD-UHFFFAOYSA-N 320.776 3.113 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(-c2ccon2)c1 1639183215 KWJPLXQEVVXKSA-FNORWQNLSA-N 322.320 3.405 10 10 DGCE CCO[C@@H]1C[C@@H](NC(=O)c2ccc(C)c(O)c2O)C1(CC)CC 1566143197 OWFJDDFCKKUODT-ZIAGYGMSSA-N 321.417 3.120 10 10 DGCE CN1CCC[C@H](N(C)c2ccc(CNC3CC3)cc2Cl)C1 164051580 DVHDHGQLPFNUEV-HNNXBMFYSA-N 307.869 3.122 10 10 DGCE C[C@@H](O)[C@@H]1CCN(c2ccc(CNC(C)(C)C)cc2Cl)C1 167887802 DRIVNLWITWXQBQ-TZMCWYRMSA-N 310.869 3.435 10 10 DGCE C[C@H](O)c1ccc(N2C[C@H](C)[C@@H](F)C2)c(Br)c1 1947312716 JFWUHVBOTCKBMU-AUTRQRHGSA-N 302.187 3.297 10 10 DGCE Oc1ccc(Br)cc1CNCc1cc(C2CC2)no1 877521407 XZRRGPGWTSYCKH-UHFFFAOYSA-N 323.190 3.310 10 10 DGCE Nc1cccc(Br)c1N[C@H]1c2ccccc2C[C@H]1O 1876667002 YQNIABGZZZUNQD-KGLIPLIRSA-N 319.202 3.102 10 10 DGCE Oc1cccc(Cl)c1CN[C@H]([C@@H]1CCOC1)C(F)(F)F 2143638034 JGKPMGJXSXXCTJ-PRHODGIISA-N 309.715 3.103 10 10 DGCE CCC[C@H](NC(=O)OC(C)(C)C)[C@H](N)c1ccc(N(C)C)cc1 1977945245 MRKXCPOGGAHVNN-JKSUJKDBSA-N 321.465 3.446 10 10 DGCE CN(Cc1csnn1)c1ccc(CNC2CC2)c(Cl)c1 2150304507 CZOMGKBQLXIIHE-UHFFFAOYSA-N 308.838 3.080 10 10 DGCE N[C@H]1CCCc2cc(N3CCN(Cc4ccccc4)CC3)ccc21 2012682927 HONLRFIGLKMFLP-NRFANRHFSA-N 321.468 3.345 10 10 DGCE Cc1ccc([C@@H](C(C)C)n2nc(C3CC3)c(C=O)c2N)c(O)c1 2078999279 MVXYCIVDLFWFAF-QGZVFWFLSA-N 313.401 3.415 10 10 DGCE Cc1ccc(Cn2nc(C3CC3)c(CO)c2C(F)F)c(O)c1 2079131817 ZRBLCJHKDWRGJB-UHFFFAOYSA-N 308.328 3.253 10 10 DGCE CN(Cc1ccccc1O)c1nc(Cl)nc2c1SCC2 2192601301 WXRUXBNMCLLWQF-UHFFFAOYSA-N 307.806 3.120 10 10 DGCE Oc1cccc2c1[C@H](N[C@H]1CS[C@@H](C(F)(F)F)C1)CC2 2189224800 VCKXLEKFDHVDTQ-CKYFFXLPSA-N 303.349 3.406 10 10 DGCE COCCNCc1ccc(N(C)CC2(F)CC2)cc1Cl 2206341815 SDGZGZUEOKUBBV-UHFFFAOYSA-N 300.805 3.014 10 10 DGCE CSc1ncc(CN=c2cc(C(C)C)nc(Cl)[nH]2)s1 2269275936 AFOVIICKOUGZLO-UHFFFAOYSA-N 314.867 3.466 10 10 DGCE CCc1ccc(S(=O)(=O)Nc2c(C)cc(O)cc2C)s1 2239725178 LKUHTVHNDZPJHQ-UHFFFAOYSA-N 311.428 3.434 10 10 DGCE CO[C@@H]1C[C@H]2C[C@@H]1C[C@H]2Nc1c(N)cccc1Br 2308687261 CELCSYKLALKFHX-NRMKKVEVSA-N 311.223 3.257 10 10 DGCE CC[C@@H](N)CN(CC)Cc1ccc(C)c(Br)c1O 2327620687 GGLQVVCZVNATOY-GFCCVEGCSA-N 315.255 3.022 10 10 DGCE CN(C)c1ccc(CNC(=O)c2cccc3ncccc23)cc1F 58731465 YMMBVFJCCCZPRV-UHFFFAOYSA-N 323.371 3.370 10 10 DGCE Cc1nn(-c2ccccc2)c(Sc2nccs2)c1CCN 111588101 ZCWQVIIGMSFDQR-UHFFFAOYSA-N 316.455 3.290 10 10 DGCE COCCCN(C)c1c(F)cc(CNCC(C)C)cc1F 62738424 GLUDWXBKZUCNSG-UHFFFAOYSA-N 300.393 3.183 10 10 DGCE Cc1ccc(Cn2nccc2NCc2ccc3c(c2)CCN3C)o1 124906025 QSFDKSFYTWILSN-UHFFFAOYSA-N 322.412 3.437 10 10 DGCE CN(c1ccc(CO)c(C2CC2)c1)C1CSCCSC1 2364573747 GCPYFWKGVXKBDU-UHFFFAOYSA-N 309.500 3.341 10 10 DGCE COc1ccc(N2CCN(Cc3ccccc3)CC2)cc1OC 71702530 CNCSVJCXOAQXLL-UHFFFAOYSA-N 312.413 3.026 10 10 DGCE COc1ccc(CN[C@@H](C)c2nnc3n2CCCCC3)cc1C 320065950 RPMZLORGNKATHK-AWEZNQCLSA-N 314.433 3.172 10 10 DGCE CSC1(CN[C@H](C)c2ccc(N3CCOCC3)cc2)CCC1 193812392 MCOQNWXMQWWQOI-OAHLLOKOSA-N 320.502 3.460 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)c1scnc1C1CC1 89602430 PDDXOKONCPTQBY-UHFFFAOYSA-N 315.442 3.359 10 10 DGCE CC(=O)N(C(=O)Cc1ccccc1Cl)c1ccc(N)cc1 244163723 UZLXVYGAUWKBJO-UHFFFAOYSA-N 302.761 3.044 10 10 DGCE Oc1cc(F)c(Cl)cc1CNCC1CCN(C2CC2)CC1 294852023 ZYWAKCPNJJXDBP-UHFFFAOYSA-N 312.816 3.149 10 10 DGCE CC[C@@H](NC1CCC(C(N)=O)CC1)c1cccc(Cl)c1O 806147226 VJBWKUMHXSJNRJ-QIMFLAQGSA-N 310.825 3.130 10 10 DGCE O=C(CC(F)(F)C(F)F)NCCCSc1nccs1 900681874 AMEPCXUIGYXCKR-UHFFFAOYSA-N 316.345 3.032 10 10 DGCE CN(CC(=O)CCCc1ccc(N)cc1)C(=O)OC(C)(C)C 1952752972 SKPOARJAPPANLT-UHFFFAOYSA-N 306.406 3.028 10 10 DGCE CC(C)[C@H]1CC[C@H]1NCc1cc(F)c(N2CCOCC2)c(F)c1 839144639 IUVFUSQDTIHVNE-RHSMWYFYSA-N 324.415 3.326 10 10 DGCE NC[C@@H]1c2ccccc2CCN1Cc1cc(Cl)cc(F)c1O 843129619 QMDLBTOFOTZJIO-MRXNPFEDSA-N 320.795 3.243 10 10 DGCE C[C@H](NC[C@H]1C[C@@H](N(C)C)C1)c1cc2c(cc1O)CCCC2 848557808 LBLUUKXTESTRIN-GRDNDAEWSA-N 302.462 3.262 10 10 DGCE COc1cc(O)c(CNc2n[nH]c(C(C)C)c2C)cc1OC 843425999 BBDQMRSMPSFCNA-UHFFFAOYSA-N 305.378 3.176 10 10 DGCE COc1ccc(N2CC[C@H](NCc3cc(F)cc(F)c3)C2)cc1 850347723 WSQAOPUZAUQNBM-INIZCTEOSA-N 318.367 3.342 10 10 DGCE C[C@@H](C[C@@H]1CCOC1)NCc1cc(Br)ccc1O 759834990 ABIUPQXPLBBUQV-QWRGUYRKSA-N 314.223 3.059 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C(C)(C)C)C2)cc1 852401619 VMIVDYCXMUUEQT-KGLIPLIRSA-N 319.449 3.008 10 10 DGCE Cc1cc(Cl)cc([C@H](C)N[C@@H]2[C@@H]3C[C@@H]4[C@@H]2OC[C@@H]4C3)c1O 866446048 OEFISODGUZYHMV-YTRYYAAASA-N 307.821 3.428 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)NC1CC(c2ccccc2)C1 779511353 HTDVFBIFSBXYBE-CLFYSBASSA-N 309.365 3.173 10 10 DGCE C[C@@H]1CNc2cc3c(cc2N1Cc1ccccc1F)OCO3 57925335 SLOKYHRHNFELQR-LLVKDONJSA-N 300.333 3.375 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CCc2c(F)cccc21 779501207 UWXNUIWKIZZGAO-ZHMISCPASA-N 313.328 3.054 10 10 DGCE Oc1c(F)cc(Cl)cc1CNC1CCN(C2CCC2)CC1 776061971 ACZNBJIFNBMZLP-UHFFFAOYSA-N 312.816 3.291 10 10 DGCE COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)C(F)F)ccc21 894049387 IMJIJRQLCCMTLC-LLVKDONJSA-N 324.371 3.288 10 10 DGCE COc1cc(C)cc(CN[C@@H](C2CCC2)[C@@H]2CCCO2)c1O 895449325 GRBVASGZKWPKNU-RDJZCZTQSA-N 305.418 3.147 10 10 DGCE Cc1c(N)cnc(Sc2nccs2)c1Br 167048313 HEWHSWRXRZQVIH-UHFFFAOYSA-N 302.222 3.342 10 10 DGCE O=C(N[C@@]12CCCC[C@H]1C2)c1cc2cc(O)c(O)cc2s1 899163427 HHYPRABTXNKTQL-MGPLVRAMSA-N 303.383 3.375 10 10 DGCE CC[C@H](NCc1c(O)cccc1Br)c1ncc[nH]1 706804669 NIPRQEZFGHPZHD-NSHDSACASA-N 310.195 3.119 10 10 DGCE Cc1cc(C(=O)N2CC(C)(F)C2)c(C)n1-c1ccc(F)cc1 792523804 SZEOPPCGOGYZCP-UHFFFAOYSA-N 304.340 3.417 10 10 DGCE Oc1c(F)cc(Br)cc1CN1CCC[C@H](F)C1 715805130 VESOLTDQOQDQLP-JTQLQIEISA-N 306.150 3.228 10 10 DGCE CC(C)N(C[C@@H](C)O)c1ccc([C@H](C)O)c(Br)c1 691520457 IYYDUNUYWKIBEP-MNOVXSKESA-N 316.239 3.098 10 10 DGCE c1cc(CNCCCSc2nccs2)n2ccnc2c1 1177904985 MICVDCFIFZYEMD-UHFFFAOYSA-N 304.444 3.063 10 10 DGCE C[C@H](CCc1ccccc1F)C(=O)NCc1c(O)cccc1O 1178912719 WZMUVGFYJXRBFC-GFCCVEGCSA-N 317.360 3.122 10 10 DGCE C[C@H]1CN(c2ccc(C=CC(=O)O)cc2Br)[C@H]1C 1911979427 ITIWKJDGVFUCFR-UWVGGRQHSA-N 310.191 3.392 10 10 DGCE CN(CCN=[N+]=[N-])C(=O)c1cc([N+](=O)[O-])cc(Cl)c1Cl 1912192010 ZNFGQLORQCVSGU-UHFFFAOYSA-N 318.120 3.284 10 10 DGCE O=C(NCc1ccccc1O)c1ccccc1NCC(F)(F)F 1445969207 GYTNRWCHJZQJKT-UHFFFAOYSA-N 324.302 3.296 10 10 DGCE c1ccn2c(CNC3CC3)c(Sc3nccs3)nc2c1 111569625 ODVLWCYCCSVZGD-UHFFFAOYSA-N 302.428 3.194 10 10 DGCE CCCN(CCc1cccs1)C(=O)Cc1ccc(O)c(O)c1 1466709696 FNNFTNRGYHXJPM-UHFFFAOYSA-N 319.426 3.183 10 10 DGCE CC/C(C)=C(/C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 1539707384 RDXPSTGOAUOBCN-KGUUONHRSA-N 317.477 3.218 10 10 DGCE COc1ccc(C2CC2)c(NC(=O)Cc2ccc(O)c(O)c2)c1 1471409944 IISVRNSSXUMYQC-UHFFFAOYSA-N 313.353 3.165 10 10 DGCE COc1ccc(CNCCC[C@H](C)NC(=O)[C@@H]2C[C@H]2C)cc1C 1725398445 NMPWIFPNWZLOSF-UKPHBRMFSA-N 318.461 3.034 10 10 DGCE CC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1F 1631633321 VLYGYQKETWLKII-CQSZACIVSA-N 303.333 3.047 10 10 DGCE COc1ccc(CN[C@@H](C)[C@H](C)NC(=O)C2CCCC2)cc1C 1674618663 MFLQRKUUKUBSPS-GJZGRUSLSA-N 318.461 3.177 10 10 DGCE CCOc1cc2c(cc1/C=C1\SC(=S)N(C)C1=O)CCC2 206450985 VOWODOYIWKJMNZ-ZROIWOOFSA-N 319.451 3.405 10 10 DGCE C[C@@H](NC[C@@H]1CCCS1)c1ccc(N2CCOCC2)cc1 168652952 ZGXQELARTZCPSZ-PBHICJAKSA-N 306.475 3.069 10 10 DGCE O=C(CC/C=C/c1ccccc1)NCCc1ccc(O)c(O)c1 156663984 ILZXNEFRRWVDRG-XBXARRHUSA-N 311.381 3.250 10 10 DGCE CCOc1ccccc1[C@H]1CN(Cc2ccc(N)cc2)C(=O)O1 585893868 XJYRSEBUAYZCSS-QGZVFWFLSA-N 312.369 3.361 10 10 DGCE CN(C)c1ccc([C@@H](N)c2cnc(C(F)(F)F)s2)cc1 234250156 DPYABJJWCLBKDN-LLVKDONJSA-N 301.337 3.276 10 10 DGCE CN[C@H](c1ccccc1O)C1(NC(=O)OC(C)(C)C)CC(C)C1 1937814614 RQYKICOCSMCPKT-HBSPSFQMSA-N 320.433 3.346 10 10 DGCE CN(C)c1ccc(CN2CCN(c3cccc(F)c3)CC2)cc1 1203935634 AHNIXAKYXVRYGP-UHFFFAOYSA-N 313.420 3.214 10 10 DGCE CC(C)(C)OC(=O)NC1(C2CN(CCCCN=[N+]=[N-])C2)CC1 1962303924 KBEVKISEYKRPRL-UHFFFAOYSA-N 309.414 3.066 10 10 DGCE Oc1c(F)cc(Br)cc1CNC1CC(C(F)F)C1 1964062282 UXAPPYRSUPTSDN-UHFFFAOYSA-N 324.140 3.427 10 10 DGCE N[C@@H](c1ccccc1O)c1ncc(Br)cc1Cl 2007995242 YRQXFJOWOLECJF-NSHDSACASA-N 313.582 3.251 10 10 DGCE [N-]=[N+]=NCC1CCN(Cc2cc(Br)sn2)CC1 2024816494 NILVIVLAUOVFKQ-UHFFFAOYSA-N 316.228 3.428 10 10 DGCE C[C@H]1CN(Cc2ccc(Br)cc2O)[C@H](C)CCO1 2031608224 RYRMMOIOEJDNAK-MNOVXSKESA-N 314.223 3.154 10 10 DGCE C[C@H]1COCC[C@H]1N(C)Cc1ccc(Br)cc1O 2031921343 SQRGSDUKTAXOPO-GXFFZTMASA-N 314.223 3.012 10 10 DGCE C[C@H]1[C@@H](CN(C)c2ccc(CO)c(Br)c2)C1(F)F 2036079614 VGZSKFRPCXLZCB-GZMMTYOYSA-N 320.177 3.279 10 10 DGCE C[C@@H](c1c(O)cccc1O)N(CCCN)Cc1ccccc1 309803335 YJXIINUNAYGEFR-AWEZNQCLSA-N 300.402 3.010 10 10 DGCE C[C@H]1CCC[C@@H](CNCc2c(O)cccc2Br)O1 706805340 ZEJPEBPYBJNBKJ-QWRGUYRKSA-N 314.223 3.202 10 10 DGCE CN(Cc1cc(Cl)cc(Br)c1O)[C@@H]1CCOC1 708133574 MCBOMNFHNGNPBB-SNVBAGLBSA-N 320.614 3.029 10 10 DGCE CCN[C@@H](C)c1ccc(N(C)Cc2cnsn2)cc1Cl 2167123423 DPQLDKHOYVGRBQ-JTQLQIEISA-N 310.854 3.498 10 10 DGCE CCCc1nn(-c2ccc(O)c(O)c2)cc1C(=O)OC(C)(C)C 2069788015 SBTILSJKSYPSCE-UHFFFAOYSA-N 318.373 3.191 10 10 DGCE CNCc1cc(C2CCC2)nn1[C@H](C)c1ccc(OC)cc1O 2070025286 JZTLNMAOPYADAJ-GFCCVEGCSA-N 315.417 3.194 10 10 DGCE CNCc1cc(C2CCC2)nn1[C@H](C)c1c(O)cccc1F 2070031978 GXRXJEGDLORTRW-LLVKDONJSA-N 303.381 3.324 10 10 DGCE Cc1ccc(O)c(Cn2nc(C3CCCCC3)cc2CO)c1 2070158371 KCEYSMOFFLELAO-UHFFFAOYSA-N 300.402 3.485 10 10 DGCE Oc1cccc(Cl)c1CNCc1c[nH]nc1C(F)(F)F 2183027810 JEIULLIHPWNLDO-UHFFFAOYSA-N 305.687 3.077 10 10 DGCE CC[C@H](N[C@@H]1CC[C@@H](O)C1)c1cc(Br)ccc1O 2057788491 AJPGDEMTDHVSPF-WZRBSPASSA-N 314.223 3.109 10 10 DGCE CO[C@H]1CCC[C@H](N(C)c2cc(Cl)c(CN)cc2F)C1 2187274433 ZFOJWBIRKMEIMZ-RYUDHWBXSA-N 300.805 3.332 10 10 DGCE CO[C@@H]1CC[C@@H]1CCNCc1ccc(Br)cc1O 2066826309 KIONFJBGZNXTEU-QMTHXVAHSA-N 314.223 3.059 10 10 DGCE COc1ccc(Br)c(CNCC2(Cl)CC2)c1O 2214882249 COUPLFBLZDFGTO-UHFFFAOYSA-N 320.614 3.024 10 10 DGCE COc1ccc(Br)c(CN[C@H]2CCC[C@@H]2C)c1O 2220462147 HJDHQQHLGXLSGT-CABZTGNLSA-N 314.223 3.442 10 10 DGCE COc1cc(Cl)cc(CN[C@@H]2CC[C@@H]2C(F)(F)F)c1O 2232598234 XPXZZTVFNGKRBR-VHSXEESVSA-N 309.715 3.485 10 10 DGCE Cc1cc(C)nc(Sc2ncc(CNC3CCC3)s2)n1 2240305257 VRYDXYYBTNHYJX-UHFFFAOYSA-N 306.460 3.343 10 10 DGCE C[C@H](CF)N(C)c1ccc(CNC2CC2)c(Br)c1 2257915165 GEQLJRXHQOKNAF-SNVBAGLBSA-N 315.230 3.495 10 10 DGCE C[C@H](Nc1cnccc1Br)c1ccc(O)cc1O 2264159292 FQWKDAORTLUBDO-QMMMGPOBSA-N 309.163 3.428 10 10 DGCE CCC[C@H]1CN(Cc2cnc(SC)s2)[C@@H](C(C)C)CN1 2284678396 WAVMYBSUBRIYQF-GXTWGEPZSA-N 313.536 3.464 10 10 DGCE CN(Cc1ccccc1O)C(=O)C=Cc1ccnc(Cl)c1 2304844943 QEISNCHYDVVQFA-UHFFFAOYSA-N 302.761 3.112 10 10 DGCE CP(C)(=O)[C@H]1CC[C@@](Sc2nccs2)(C(=O)O)C1 2327013725 KZWDONFIUYVGQX-KWQFWETISA-N 305.361 3.234 10 10 DGCE Nc1cc(Cl)c(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c(Cl)c1 2353870342 ZSVITGGMBKQWED-DTORHVGOSA-N 313.184 3.255 10 10 DGCE Oc1ccc([C@H](c2c[nH]c3ccccc23)N2CCOCC2)cc1O 71704634 SCYXSBKKDHDCOF-LJQANCHMSA-N 324.380 3.001 10 10 DGCE COCCNCc1ccc(N2C[C@@H](C)S[C@H](C)C2)c(C)c1 70384626 HAZVVVXIOSSUIR-HUUCEWRRSA-N 308.491 3.061 10 10 DGCE O=C(O)Cc1nc2ccc(F)cn2c1/N=N\c1ccc(O)cc1 71591759 DNRPHJFSXCBZHY-HNENSFHCSA-N 314.276 3.222 10 10 DGCE CC[C@@H](C)[C@H]1CN(c2ccc(OC(F)(F)F)cc2)CCN1 86122601 WLRSEMGRLUXSNU-BXUZGUMPSA-N 302.340 3.410 10 10 DGCE CN(C)[C@@H]1C[C@H]2C[C@@H]1CN2Cc1cc(Cl)cc(Cl)c1O 2366831060 HHIYMTHLKXOVAG-GAJTVXKRSA-N 315.244 3.223 10 10 DGCE O=C(NCCCSc1nccs1)C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 247671474 QXKMHAQIHYXUNY-NNYUYHANSA-N 308.472 3.034 10 10 DGCE COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cc(C)ccc1O 246195812 LOQUJGJCUYAUNT-BMFZPTHFSA-N 303.402 3.007 10 10 DGCE CCOc1cccc(CN[C@H](C)[C@H](O)c2ccccc2)c1O 288432201 BROYTQPRAUTNDQ-DYVFJYSZSA-N 301.386 3.003 10 10 DGCE CN(C)c1ccc(CN(Cc2ccco2)Cc2nccn2C)cc1 289725679 HOXDKPPPTCKQGG-UHFFFAOYSA-N 324.428 3.282 10 10 DGCE NCc1ccc(N2C[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2)cc1Br 723178686 AWFNDSFBRUWRDG-LWWSYDQCSA-N 319.246 3.166 10 10 DGCE CO[C@H]1C[C@@H](N(C)Cc2cc(Br)cc(C)c2O)C1 809692996 LGRUPPGBFXMKGF-BETUJISGSA-N 314.223 3.072 10 10 DGCE Cc1ccc([C@@H](C)N[C@H]2COc3ccc(F)cc3C2)c(O)c1 808729424 JOCFFKFSUHESMU-IUODEOHRSA-N 301.361 3.494 10 10 DGCE CCCN(c1ccc(CN)cc1)[C@@H]1CCO[C@@H](C(F)(F)F)C1 809654496 FTNQEMSSGQAJOQ-HUUCEWRRSA-N 316.367 3.472 10 10 DGCE O=C(NCCCSc1nccs1)c1sccc1F 815590563 AGSUSWSNYMMRDT-UHFFFAOYSA-N 302.421 3.256 10 10 DGCE Cc1cc(Cl)cc(CNCc2nn(C)cc2Cl)c1O 824758062 HKEKVJLDBLUZNH-UHFFFAOYSA-N 300.189 3.031 10 10 DGCE CO[C@@]1(CN[C@H](C)c2cc(Cl)ccc2O)CCSC1 903314188 IJSSBCIRRKEVEN-QMTHXVAHSA-N 301.839 3.218 10 10 DGCE O=C(c1cc(O)cs1)N1CCC[C@@H]1Cc1cccc(F)c1 731871662 PRQHBFPQKNCZDX-CYBMUJFWSA-N 305.374 3.440 10 10 DGCE CC[C@@H]1CCCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C1 915212881 OYDFWKATPYRMSV-FNOHHLHBSA-N 318.373 3.407 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)C12CC(C(F)(F)F)(C1)C2 846473933 OMEQZICRQBUBSP-UHFFFAOYSA-N 319.710 3.394 10 10 DGCE CCCN(CCC)c1ccc(CN(C)C[C@@H](C)C(=O)O)cc1 840999245 QWMCBWFODLPCAD-OAHLLOKOSA-N 306.450 3.466 10 10 DGCE Cc1cc(C)c([C@H](C)NC[C@@H](C)N2C[C@H](C)O[C@H](C)C2)c(O)c1 848556943 DNLMPUVQQSEJLU-NCOADZHNSA-N 320.477 3.157 10 10 DGCE C[C@H](NCc1ccc(N(C)C)c(F)c1)c1cc2n(n1)CCCC2 842836029 MDRGWWXGTJIGFF-ZDUSSCGKSA-N 316.424 3.275 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)NC[C@@]2(C)C[C@@H]3C[C@@H]3C2)c1 858890471 KDNYQFBZSSSZDU-JWXAPSBJSA-N 318.417 3.197 10 10 DGCE COc1ccc(N2CC[C@H](N[C@H](C)c3ccc(F)cn3)C2)cc1 850489649 WGSKIIBSVLBGFD-HIFRSBDPSA-N 315.392 3.159 10 10 DGCE CN(Cc1cccs1)c1ccc(CNCC2COC2)cc1 858297354 GQMIANXLEIRKEW-UHFFFAOYSA-N 302.443 3.121 10 10 DGCE Cc1cc(Cl)cc([C@H](C)N[C@@H]2CCN(C3CCC3)C2=O)c1O 858602559 BVOKXQAFTZPJOO-XHDPSFHLSA-N 322.836 3.158 10 10 DGCE COC[C@H]1CCCN1c1ccc([C@@H](C)N)c(Br)c1 696544583 HLFXFPYKEAOXDM-ZYHUDNBSSA-N 313.239 3.084 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C=O)oc1C 930905959 YAWQAASMPORWIW-UHFFFAOYSA-N 314.385 3.129 10 10 DGCE Cc1nc(NC(=O)NCc2c(O)ccc3c2CCCC3)cs1 767124539 ALIUCXMGTCIKGA-UHFFFAOYSA-N 317.414 3.358 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)CC2CCC2)c1 868983470 DXFRVSJITLUVRW-RYUDHWBXSA-N 306.406 3.340 10 10 DGCE Cc1cc(CNC(=O)CC2CSC2)c(C)n1-c1ccccc1 869455852 AVYMECXFUQPOFF-UHFFFAOYSA-N 314.454 3.463 10 10 DGCE Cc1cc(Br)c(O)c(CN(C)C[C@H]2CCCO2)c1 761228789 MGVPTOBCECRSQT-GFCCVEGCSA-N 314.223 3.074 10 10 DGCE c1cc(N2CCCCC2)ccc1CN1CCO[C@@H](C2CC2)C1 777223431 YPFPFNFGFVBPGV-LJQANCHMSA-N 300.446 3.288 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)[C@H]2CCC[C@@H](F)C2)cc1 1118334215 VEVFKKGFVLGOKH-LSDHHAIUSA-N 322.424 3.118 10 10 DGCE Cc1cccc([C@@H]2CCCN2C(=O)Cc2ccc(O)c(O)c2)c1 1136363709 GFGDCVSSOJUGBB-INIZCTEOSA-N 311.381 3.312 10 10 DGCE Cc1cccc(CNCc2ccncc2Br)c1O 686554571 CZEFZTGHXWFEKX-UHFFFAOYSA-N 307.191 3.148 10 10 DGCE CN(C)c1ccc(CN2CCC[C@@]2(CO)c2ccccc2)cc1 1176960073 SPSAKXBLDXAKSS-HXUWFJFHSA-N 310.441 3.236 10 10 DGCE C[C@@H](NC(=O)COc1ccc(Cl)c(F)c1)c1ccccc1O 1171722995 IRCNNRIEOWYDQH-SNVBAGLBSA-N 323.751 3.441 10 10 DGCE CC(C)N(CCN(C)C(=O)OC(C)(C)C)c1ccc(N)cc1 1959523819 RBKMCSVAWWCSFY-UHFFFAOYSA-N 307.438 3.351 10 10 DGCE COc1ccc(CNC(=O)/C=C\CCc2ccccc2)c(O)c1 1448384899 SQSGRHWNPDAOHD-POHAHGRESA-N 311.381 3.206 10 10 DGCE CCCCCCC(=O)N(CC(=O)OCC)Cc1ccccc1O 1451912531 GSSRYDKSMWBMSO-UHFFFAOYSA-N 321.417 3.254 10 10 DGCE CC(C)CCN(C(=O)Cc1ccc(O)c(O)c1)C1CCCC1 1464538361 GAOQIQBLMPZDDI-UHFFFAOYSA-N 305.418 3.458 10 10 DGCE CCOc1ccc(N(C/C=C(/C)C(=O)OC)CC2CC2)cc1 1473717205 AFCOKAWOJDAVKK-KAMYIIQDSA-N 303.402 3.421 10 10 DGCE Cc1cc(C)cc(-n2c(C)cc(C(=O)N[C@@]34COC[C@@H]3C4)c2C)c1 1638514774 QZBLUZOTICTHDW-JXFKEZNVSA-N 324.424 3.230 10 10 DGCE O=C(NCc1c(O)cccc1O)c1ccc(-c2cccs2)o1 1647268796 CQJMRZJJEOAXEM-UHFFFAOYSA-N 315.350 3.349 10 10 DGCE CCOc1ccc(O)c(CN(CCN(C)C)C2CCCC2)c1 154624586 DCQCKDPQLGEPMU-UHFFFAOYSA-N 306.450 3.097 10 10 DGCE C[C@@H](CCNC(=O)OC(C)(C)C)N[C@@H](C)c1ccc(O)cc1O 1937019638 USZBCGSDIVKBQJ-RYUDHWBXSA-N 324.421 3.052 10 10 DGCE CC(=O)Nc1cccc(C(=O)N(c2ccc(N)cc2)C2CC2)c1 1857927033 QFMMFIZHWPDROI-UHFFFAOYSA-N 309.369 3.036 10 10 DGCE C[C@H]1CSCCCN1c1ccc(CN)c(C(F)(F)F)c1 2143596667 CAQIPCSDMMMNML-JTQLQIEISA-N 304.381 3.496 10 10 DGCE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)CCCN=[N+]=[N-] 1962287669 LOUQTHYRIKOGCV-OLZOCXBDSA-N 311.430 3.264 10 10 DGCE C[C@H](N)c1ccc(N2CC[C@@H]2C(F)F)c(Br)c1 2004456109 LKQKFFHTGMTMAP-WRWORJQWSA-N 305.166 3.313 10 10 DGCE CN(Cc1ccc(N)cc1)C(=O)c1cc(Cl)ncc1Cl 2148896958 HDQYGNQFXXAECM-UHFFFAOYSA-N 310.184 3.243 10 10 DGCE CC[C@H](C(=O)O)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 1977837531 GCYLGJFSUHDCBE-CQSZACIVSA-N 322.405 3.011 10 10 DGCE C[C@@H]1CN(c2ccc(N)cc2)C[C@@H](C)C1NC(=O)OC(C)(C)C 1977943961 YKGGETHNQGXIJW-CHWSQXEVSA-N 319.449 3.254 10 10 DGCE Cc1nc(C(=O)Nc2ccc(N)cc2)c(Br)s1 2003572000 PHFUGCLZUIPXBS-UHFFFAOYSA-N 312.192 3.049 10 10 DGCE CC(C)(CO)N(Cc1ccccc1)c1ccc2c(c1)CC[C@H]2N 1986605924 FXQCSMNDDIUSSH-LJQANCHMSA-N 310.441 3.410 10 10 DGCE CN(c1ccc(CN)c(Br)c1)[C@H]1CCC[C@H]1F 2006793640 KKHZVQPUJYNDLJ-OLZOCXBDSA-N 301.203 3.235 10 10 DGCE C[C@@H](O)c1ccc(N(C)C[C@H]2C[C@H]2F)c(Br)c1 2014705544 VYJKKIFTANIOQR-HLUHBDAQSA-N 302.187 3.297 10 10 DGCE Cc1cccc(Br)c1[C@H](NN)c1ccccc1O 2029556668 UWTAKENNCMBBAU-CQSZACIVSA-N 307.191 3.016 10 10 DGCE CCNCc1ccc(N2C[C@H](C)[C@@H](F)C2)cc1Br 2035298214 WPWPFULNTRZYAH-HZMBPMFUSA-N 315.230 3.353 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)c2ccccc2Br)C1 403674664 ORUMLABCNRXDIE-VIFPVBQESA-N 309.167 3.364 10 10 DGCE CC(C)NCc1ccc(N2CCO[C@H](CF)C2)c(Cl)c1 2172049959 HGIPVVZHPDOQND-CYBMUJFWSA-N 300.805 3.013 10 10 DGCE CN[C@@H](C)c1ccc(N2CC(OCC(F)F)C2)cc1Cl 707666464 MYVVTHAYYSPMJP-VIFPVBQESA-N 304.768 3.091 10 10 DGCE C[C@@H](O)c1ccc(N2CCO[C@@H](C(F)F)CC2)cc1Cl 687553560 NOUYXJBUVUJOFQ-NOZJJQNGSA-N 305.752 3.254 10 10 DGCE CCN(C[C@H](C)OC)c1ccc([C@@H](C)N)cc1Br 383234742 RRCGHYVSZYYAAJ-WDEREUQCSA-N 315.255 3.330 10 10 DGCE CCOC1(C)CN(c2ccc([C@@H](C)N)c(Br)c2)C1 399261350 PXHIBFXORBLTBH-SNVBAGLBSA-N 313.239 3.084 10 10 DGCE CCOC(=O)c1cc(CC)nn1[C@H](C)c1ccc(F)cc1O 2069882263 PFFFCQRVOMBJPC-SNVBAGLBSA-N 306.337 3.076 10 10 DGCE CCc1nn(Cc2ccc(C)cc2O)c(C(F)(F)F)c1C=O 2078853868 VBVWXYINIFUMBV-UHFFFAOYSA-N 312.291 3.339 10 10 DGCE CN(Cc1cc(Cl)cc(Cl)c1O)[C@@H]1CCN2CC[C@H]1C2 2192729823 OWGBIAPBNMFJBH-IINYFYTJSA-N 315.244 3.225 10 10 DGCE CN[C@H](C)c1ccc(N2C[C@H](OC)C[C@@H]2CF)cc1Cl 2190233477 WABFFFFBTOHFHI-RAIGVLPGSA-N 300.805 3.184 10 10 DGCE CC[C@@H](CN(C)Cc1cc(Br)cc(F)c1O)OC 2068249571 OTCCQPLAKFKXDR-NSHDSACASA-N 320.202 3.151 10 10 DGCE Cc1ccc([C@H](O)[C@@H](N)c2ccccc2O)c(Br)c1 2091868682 UEUJKWMKAYYTNQ-GJZGRUSLSA-N 322.202 3.197 10 10 DGCE C[C@@H]1CCC[C@H]1CS(=O)(=O)Nc1ccc(O)c(Cl)c1 2093552885 MDGBUUPNVNDJLR-ZJUUUORDSA-N 303.811 3.224 10 10 DGCE N=C(N)c1cnc(Sc2cccc(Br)c2)s1 2246259283 BGLKYRYZCCTNLS-UHFFFAOYSA-N 314.233 3.341 10 10 DGCE CNCc1ccc(N2C[C@@H]3C[C@H]3C2(C)C)cc1Br 2257027127 QZFVFTGRBMBNFM-WCQYABFASA-N 309.251 3.403 10 10 DGCE COc1c(C(=O)N2CCC[C@H]2CN=[N+]=[N-])csc1Cl 2268912995 BXAKGWPGLGCYHM-ZETCQYMHSA-N 300.771 3.325 10 10 DGCE CCc1cc(C(=O)O)cc(NCc2cnc(SC)s2)n1 2284499826 QJRUGSDHIPLFSV-UHFFFAOYSA-N 309.416 3.133 10 10 DGCE Cc1cc(O)c([C@H](C)N(C)C[C@H]2OCC[C@@H]2F)cc1Cl 2286438697 JEGBOMGRXUZDRE-VZJVUDMVSA-N 301.789 3.474 10 10 DGCE CCCCNC(C)=C1C(=O)N(c2ccc(OC)cc2)N=C1C 2313682289 ZGSWLAXTMXOSPK-UHFFFAOYSA-N 301.390 3.081 10 10 DGCE Oc1ccc(Br)cc1CNC[C@H]1C[C@H]2C=C[C@@H]1C2 2309751726 SZEAQVDITGXVRO-QJPTWQEYSA-N 308.219 3.457 10 10 DGCE CCOC(=O)[C@@H]1CCCN(N=Nc2ccc([N+](=O)[O-])c(C)c2)C1 2330246606 OALOZBXMPRQWIK-GFCCVEGCSA-N 320.349 3.177 10 10 DGCE Cc1ccc(CN(C)C[C@@H]2CCCO2)c(O)c1Br 2327566269 BAYKSTQVIDRVIT-LBPRGKRZSA-N 314.223 3.074 10 10 DGCE C[C@@H](O)c1ccc(N2Cc3cccnc3C2)c(Br)c1 2336971828 RKKYEKYOMKJFAH-SNVBAGLBSA-N 319.202 3.418 10 10 DGCE CN[C@H](CC1(C)OCCO1)c1ccc(N2CCCCC2)cc1 2353353937 OWYRIMJVQSBVMP-QGZVFWFLSA-N 304.434 3.091 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)[C@H]1CCC[C@H](F)C1 1348353609 GJJIUCCKFXPVEU-JSGCOSHPSA-N 302.349 3.085 10 10 DGCE CC(C)N[C@](CSc1nccs1)(C(=O)O)[C@H]1CC1(C)C 2366587052 OOZQYBDXULAYGR-HZMBPMFUSA-N 314.476 3.103 10 10 DGCE CCOc1cccc(CN2CCC(OCC(C)C)CC2)c1O 92223145 LVAGOCQPXQXNNR-UHFFFAOYSA-N 307.434 3.428 10 10 DGCE CCOc1ccc(O)c(CN2CC[C@H]3CC[C@@H](C2)N3C(C)C)c1 93636934 IENHRFKWBZUGPJ-SJORKVTESA-N 318.461 3.238 10 10 DGCE CCOc1ccc(O)c(CN2CCCC[C@H]2c2ncc[nH]2)c1 92729780 BBAWXIBOVWXXMH-HNNXBMFYSA-N 301.390 3.241 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)NCCCC(C)(F)F 297075660 DTDKSRAWVBTIBV-UHFFFAOYSA-N 313.392 3.329 10 10 DGCE Oc1cc2c(cc1CN1CC[C@](F)(c3ccccc3)C1)OCO2 800858536 AEUZFZLOFRKUBJ-GOSISDBHSA-N 315.344 3.192 10 10 DGCE CN(Cc1cc(Cl)cc(Cl)c1O)[C@H]1CCOC[C@H]1F 2130200013 DVJWOAZBBZOYHX-NEPJUHHUSA-N 308.180 3.258 10 10 DGCE Cc1cc(O)c(CN[C@@H](C)Cc2c(C)nn(C)c2C)cc1Cl 825320987 RBKDWDAFKGHXTP-NSHDSACASA-N 321.852 3.425 10 10 DGCE COc1cc(CN(C)c2ccc([C@@H](C)O)cc2Cl)sn1 722395614 FXPMTFAMWUBMPG-SECBINFHSA-N 312.822 3.495 10 10 DGCE O=C(NCc1cc(Br)ccc1O)C1(C2CC2)CCC1 908169856 BJIKFEYPNXWDSB-UHFFFAOYSA-N 324.218 3.351 10 10 DGCE C[C@H](NC(=O)C[C@@H](C)[C@H]1CCCO1)c1ccc(N(C)C)cc1 832435577 CGJQHMLTMJWYKQ-JKIFEVAISA-N 304.434 3.135 10 10 DGCE CN(C)c1ccc(/C=C/CNC[C@H](O)C2CCCCC2)cc1 835037111 NTXPQSKUAAJISG-GHOSXJJBSA-N 302.462 3.297 10 10 DGCE Cc1ccc([C@@H](C)NCc2nc(CN(C)C)cs2)c(O)c1C 903222724 JDHXBHPRSUIHEL-CYBMUJFWSA-N 319.474 3.378 10 10 DGCE CN(C)c1ccc(CN(C(=O)NCC(C)(C)C)C2CC2)cc1 917005354 OWUJFVMCIYDQPP-UHFFFAOYSA-N 303.450 3.473 10 10 DGCE C[C@@H]1C[C@@H](N2CCCC2)CN1C/C=C/c1ccc(N(C)C)cc1 835054797 YQIUFRFGRBPGNF-AJWBFMOXSA-N 313.489 3.324 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H](F)[C@H]1c1cccc(N)c1O 1953074343 VNMBHZVMTGBCFI-WCQYABFASA-N 310.369 3.385 10 10 DGCE CCOC(=O)C1=CC[C@H](N[C@@H](C)c2ccc(N(C)C)cc2)C1 858504249 NPTCDNCDXSKDAC-BBRMVZONSA-N 302.418 3.055 10 10 DGCE COc1ccc(N2CC[C@@H](NCc3ncc(Cl)s3)C2)cc1 850347113 NQKJIEGOWOMTSC-LLVKDONJSA-N 323.849 3.174 10 10 DGCE C[C@H](NC(=O)N[C@H](C)CCc1cccn1C)c1ccccc1O 868317401 IFLRBIRXDOPKQI-KGLIPLIRSA-N 315.417 3.112 10 10 DGCE CCN(C)c1ccc([C@@H](C)NCC2(O)Cc3ccccc3C2)cc1 766093417 GCWPXUVIVWQWBE-MRXNPFEDSA-N 324.468 3.323 10 10 DGCE Cc1noc2ncc(CNCc3ccc(N(C)C)c(F)c3)cc12 894208912 NELKMGCVSGPUSN-UHFFFAOYSA-N 314.364 3.026 10 10 DGCE CNC(=O)C[C@H](NCc1cc(Cl)ccc1O)c1ccccc1 795600539 GWIHLXSTAOPJIL-HNNXBMFYSA-N 318.804 3.013 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C 1142416881 JCYMEWZKTRYIHO-OKDNKWQNSA-N 300.446 3.393 10 10 DGCE CC(C)N[C@]1(C(=O)O)CCC[C@H]1CCSc1nccs1 93629966 HSFKMKNQXDJASO-SMDDNHRTSA-N 314.476 3.247 10 10 DGCE CC[C@@H](C)C(=O)NCC[C@@H](C)NCc1ccc(OC)c(C)c1 1266127404 GCGJJUDXZDPCKY-UKRRQHHQSA-N 306.450 3.034 10 10 DGCE C/C(=C/c1cccnc1)C(=O)N1C[C@@H](CCN)Cc2ccccc21 1341253814 ALTNLRPSYGHNGB-HKBKRHGFSA-N 321.424 3.039 10 10 DGCE CC(C)(C)c1ccc(NC(=O)N2Cc3cccc(O)c3C2)nn1 1262280581 CJSWYLUVOOGTKO-UHFFFAOYSA-N 312.373 3.027 10 10 DGCE O=C(NCc1cccc(O)c1O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 1347541391 FPSBDIGBPNPVAO-MGPQQGTHSA-N 303.402 3.321 10 10 DGCE CN(C)c1ccc(CNC(=O)c2ccc3cccnc3c2)cc1 1350775924 AWKZRODWLDZRRD-UHFFFAOYSA-N 305.381 3.231 10 10 DGCE O=C(NC[C@@H]1CCC[C@@H]1c1ccccc1)c1cccc(O)c1O 1298514750 ZIURPFJMXNWWDH-LSDHHAIUSA-N 311.381 3.412 10 10 DGCE Cc1ccc2[nH]c(C(=O)NCc3ccc(O)cc3O)c(C)c2c1 1451765653 GUNDMIZPIAGMSU-UHFFFAOYSA-N 310.353 3.126 10 10 DGCE COc1ccc(N(C)Cc2nnc(-c3cccc(O)c3)o2)cc1 1473613376 RRUFBGUJNGHTSS-UHFFFAOYSA-N 311.341 3.087 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N[C@H](c1ccccc1)c1ccco1 1638230403 FOEDCKCXSPMNIE-LJQANCHMSA-N 323.348 3.139 10 10 DGCE CC(C)(C)OC(=O)N1CCCCCC[C@H]1[C@H]1CCC(=O)C1=O 1932573411 JOTBQPIZQADJKX-OLZOCXBDSA-N 309.406 3.104 10 10 DGCE CC(C)CNCc1ccc(N2CC[C@H]([C@@H](C)O)C2)c(Cl)c1 167896598 SGKSHRLNWCYFED-HIFRSBDPSA-N 310.869 3.293 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@@H](C)[C@@H](F)C2)c(Br)c1 1947312719 JFWUHVBOTCKBMU-LNLATYFQSA-N 302.187 3.297 10 10 DGCE OC[C@@]1(CNCc2cc(Cl)cc(Cl)c2O)CC12CCC2 1963636372 POOLKJAMKSGWBO-HNNXBMFYSA-N 316.228 3.341 10 10 DGCE CC[C@@H](NCCC1COC1)c1cc(Br)ccc1O 1971428412 CIZXCVBVPMMOFA-CYBMUJFWSA-N 314.223 3.232 10 10 DGCE C[C@@H](CN1CCC[C@H]1CN=[N+]=[N-])C(=O)OCc1ccccc1 1975318239 HGQRFCKGUHBQSQ-ZFWWWQNUSA-N 302.378 3.141 10 10 DGCE CC[C@H](NC(=O)OC(C)(C)C)[C@@](C)(O)c1ccc(N(C)C)cc1 1977958105 KXWHGPNFGYISET-YJBOKZPZSA-N 322.449 3.263 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN1Cc1cnc(Br)s1 1984485559 NFAZBLJAMGHSSM-ZETCQYMHSA-N 302.201 3.180 10 10 DGCE C[C@H]1SCCS[C@@H]1c1noc(Cc2ccc(N)cc2)n1 161939707 AJYRSIIIBXMLKR-RNCFNFMXSA-N 307.444 3.152 10 10 DGCE Cc1cc(CO)ccc1N1C[C@@H]2[C@H](CCN2Cc2ccccc2)C1 2015069502 UQWAGZAERHNGPI-TZIWHRDSSA-N 322.452 3.198 10 10 DGCE C[C@@H](CN(C)Cc1cccc(Br)c1O)C(F)F 2012202468 QTPMUWXRZFMJIQ-QMMMGPOBSA-N 308.166 3.488 10 10 DGCE NC[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1cc(Cl)cc(Cl)c1O 2159211507 RPRWHDFNNGDNBE-YSCVYTRNSA-N 315.244 3.401 10 10 DGCE O=C(NCc1cc2cscc2s1)c1ccc(O)c(O)c1 703257951 GMGYWONVHBPJGS-UHFFFAOYSA-N 305.380 3.304 10 10 DGCE C[C@@H]1[C@@H](C(=O)O)CCCN1Cc1cc(Cl)cc(Cl)c1O 384248271 LATTVRGCQQTFDF-KCJUWKMLSA-N 318.200 3.384 10 10 DGCE Cc1ccc(O)c([C@H](C)n2nccc2C(=O)OC(C)(C)C)c1 2069972892 JFJWAIPZZKUXGG-LBPRGKRZSA-N 302.374 3.462 10 10 DGCE COc1cccc(O)c1[C@H](C)n1nc(-c2ccccc2)cc1CO 2070171754 IRVZLYQXXZQWSH-ZDUSSCGKSA-N 324.380 3.366 10 10 DGCE Cc1nc(Sc2ncc(CNC(C)C)s2)n2c1CCC2 2176931631 XWAYYDGQNPBMDZ-UHFFFAOYSA-N 308.476 3.243 10 10 DGCE C[C@]12CCO[C@@H]1[C@@H](NCc1cc(Cl)cc(Cl)c1O)C2 2097847229 PGAHJBSEVYHINH-IACUBPJLSA-N 302.201 3.356 10 10 DGCE Cc1ccc(OC(F)F)c(C=C2SC(=S)N(C)C2=O)c1 2298429796 YRADFFYAQDXVSF-UHFFFAOYSA-N 315.366 3.427 10 10 DGCE Cc1ccc(CN2C[C@H]3CC[C@H]2CC3=O)c(O)c1Br 2352941891 WYRUPQOVDWARPV-PWSUYJOCSA-N 324.218 3.017 10 10 DGCE Cc1ccc(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)c(O)c1O 177659913 UKIPDOZIUYUWLF-VIFPVBQESA-N 307.296 3.175 10 10 DGCE CC(C)N(CCCO)c1ccc([C@@H](C)N)cc1Br 61697523 YLOZFGAZBFJIMV-LLVKDONJSA-N 315.255 3.066 10 10 DGCE COc1ccc(N(C)C(=O)/C=C/c2cn(C)c3ccccc23)cn1 79763130 OUKQANQJIGRWOL-DHZHZOJOSA-N 321.380 3.258 10 10 DGCE CCOc1ccc(O)c(CNc2cccc3c2OCC[C@H]3O)c1 184079701 ZIWAOAXFZSZMNO-QGZVFWFLSA-N 315.369 3.219 10 10 DGCE O=S(=O)(Nc1nc(-c2ccncc2)cs1)c1ccccc1 41568503 KUYHFAMCXJBHHQ-UHFFFAOYSA-N 317.395 3.006 10 10 DGCE Cc1ccc([C@H](C)Nc2cccc(NS(C)(=O)=O)c2)c(O)c1 192957389 RSBXJCCBFOHKHL-LBPRGKRZSA-N 320.414 3.245 10 10 DGCE COc1cccc(CNc2ncc(C(F)(F)F)s2)c1O 276914324 PSXKRCIQUHQGNU-UHFFFAOYSA-N 304.293 3.488 10 10 DGCE CC[C@H](N[C@H]1CCc2nc[nH]c2C1)c1cccc(Cl)c1O 377799267 SNACTOYNDQYKRS-GWCFXTLKSA-N 305.809 3.367 10 10 DGCE CC[C@@H](NCc1ccc(N2CCCCC2)cc1)[C@H](O)C(F)F 295014294 JWLCVJAOFVIING-CVEARBPZSA-N 312.404 3.171 10 10 DGCE CCc1cc(NCc2cc(Br)ccc2O)nc(C)n1 804828056 ZENVVERMTPFEJH-UHFFFAOYSA-N 322.206 3.428 10 10 DGCE C[C@H]1CC[C@H]1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 807555441 ARJCSUPWZGRDCB-SUMWQHHRSA-N 301.434 3.225 10 10 DGCE Cc1cc(NS(=O)(=O)/C=C\c2ccc(F)cc2)ccc1O 588388663 XCFXJULWHSDJRD-HJWRWDBZSA-N 307.346 3.252 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC1C[C@H]2C[C@@H]2C1 823693571 OMOHSPNLHAHCMP-NUEKZKHPSA-N 315.461 3.090 10 10 DGCE C[C@H](C[C@H](O)c1ccco1)NC/C=C\c1ccc(N(C)C)cc1 835042167 DUDDUZSKJGYHIW-MTWCHYJXSA-N 314.429 3.461 10 10 DGCE COC(=O)c1cnc(SC[C@@H]2C[C@H]3[C@@H](C2)C3(F)F)s1 917777991 NUZJBLLJXZLXQJ-RNLVFQAGSA-N 305.371 3.313 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(COC)o1 849208854 DUUKFPCIHSOTKI-UHFFFAOYSA-N 316.401 3.154 10 10 DGCE Cc1cccc(-n2c(C)cc(C(=O)N[C@@H](C)C(C)(C)O)c2C)c1 746334605 SQFFRIALJSHBDX-HNNXBMFYSA-N 314.429 3.292 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)/C(F)=C(/C)C3CC3)C2)cc1 912292892 PYABIVVKOSHNDS-IQGJIOQQSA-N 318.392 3.044 10 10 DGCE O=C(O)/C=C/c1ccc(N2CCC[C@H](CCF)C2)c([N+](=O)[O-])c1 849348688 VFAXNWAAPRHKQR-DIECRNLCSA-N 322.336 3.269 10 10 DGCE CC(C)(C)OC(=O)Nc1cccc(C2(N)CC(F)(F)C2)c1O 1952923406 RIPZYEBALLPGMR-UHFFFAOYSA-N 314.332 3.322 10 10 DGCE CCN(CC)c1ccc(CN2CCCC[C@H]2[C@@H]2CCNC2)cc1 841086250 GPMAUTXMAXRQBB-QUCCMNQESA-N 315.505 3.497 10 10 DGCE O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CC12CCCC2 758840818 OWWKWQUPDJDBKQ-KRWDZBQOSA-N 311.429 3.195 10 10 DGCE COc1ccc(N2CC[C@H](N[C@@H]3CCc4cccc(O)c43)C2)cc1 850486508 IFHIQMORYNPHCY-MAUKXSAKSA-N 324.424 3.257 10 10 DGCE COc1ccc(N2CC[C@H](N[C@H]3CCO[C@@H](C(C)C)C3)C2)cc1 850346253 DEZZPZLCNHPITG-TXPKVOOTSA-N 318.461 3.067 10 10 DGCE CC(=O)NC1CCC(N(C)Cc2cc(Cl)cc(C)c2O)CC1 753592641 YFQGUIJIBSVAGJ-UHFFFAOYSA-N 324.852 3.233 10 10 DGCE CC(C)(C)O[C@H]1C[C@@H](NC(=O)c2cc(O)cs2)C12CCC2 855922784 RDQZIIKQPUVLOY-OLZOCXBDSA-N 309.431 3.310 10 10 DGCE COc1cc(Cl)cc(CNC[C@H](C)c2ccncc2)c1O 761206543 JUVDFKNMDIRMBH-NSHDSACASA-N 306.793 3.343 10 10 DGCE O=C(NCc1ccccc1O)c1ccccc1N1CCCCC1 769362989 CUMCAFWSHYZKEX-UHFFFAOYSA-N 310.397 3.313 10 10 DGCE COc1cc(C)cc(CN[C@H](c2cnn(C)c2)C(C)(C)C)c1O 894325239 QCWYQWJEXXTIBQ-QGZVFWFLSA-N 317.433 3.320 10 10 DGCE Oc1c(F)cccc1CNCc1ccn(Cc2ccccc2)n1 389927771 FJJMAFIHMVSXEH-UHFFFAOYSA-N 311.360 3.066 10 10 DGCE Cc1csc([C@@H](NN)c2ccccc2O)c1Br 1950857154 SZQPZJYKHQKWTM-NSHDSACASA-N 313.220 3.077 10 10 DGCE O=C(NCc1c(O)cccc1O)[C@@H]1CCC[C@@H]1c1ccccc1 1178912699 WTAMIMCAJRDGRO-HUUCEWRRSA-N 311.381 3.298 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2CCSC(F)(F)F 1653144944 RLDVDAHOFCNMQE-UHFFFAOYSA-N 306.353 3.204 10 10 DGCE CC/C(C)=C\C(=O)N[C@H]1C[C@@H](NCc2ccc(OC)c(C)c2)C1 1265536958 GQGXIOLVEAOELG-AFDHCVITSA-N 316.445 3.097 10 10 DGCE C[C@H](NC(=O)c1cncc2[nH]ccc12)c1ccc(N(C)C)cc1 1517366431 DZVWNCRSKGJKOM-LBPRGKRZSA-N 308.385 3.120 10 10 DGCE O=C(Nc1c(Cl)ccc2nonc12)[C@@H]1C[C@H]1c1cccnc1 1525080637 GTZVNKKQBIWZLG-VHSXEESVSA-N 314.732 3.013 10 10 DGCE Cc1ccc(O)c(CNC(=O)CCc2ccc(F)cc2F)c1 1470255516 XILALRNHXYHTGP-UHFFFAOYSA-N 305.324 3.228 10 10 DGCE CCC/C=C\[C@H](O)C(=O)NCc1ccc(N(CC)CC)c(F)c1 1543251360 LMUJXHWIVQEEEU-JJEJIETFSA-N 322.424 3.005 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC[C@H]1C=CCC1 1479184651 VNEGXOWNQJQUNA-INIZCTEOSA-N 313.445 3.394 10 10 DGCE Cc1cncc(CNCc2ccc(Br)cc2O)c1 1922743499 LKVWMSHTHYCJAT-UHFFFAOYSA-N 307.191 3.148 10 10 DGCE O=C1C[C@@H](C(=O)NCc2cccc(Cl)c2O)c2ccccc21 1558757520 IBJARSYQLGTDRB-CYBMUJFWSA-N 315.756 3.032 10 10 DGCE C[C@H](NC(=O)c1cc(C(F)(F)F)ccn1)c1ccccc1O 1642830490 FEYJKQNUIBGOGN-VIFPVBQESA-N 310.275 3.297 10 10 DGCE COC(=O)c1cnc(SCc2ncccc2Cl)s1 1641152284 VJLFUNXZOYMWKS-UHFFFAOYSA-N 300.792 3.270 10 10 DGCE Cc1cc(F)cc(C(=O)NCc2cccc(Cl)c2O)c1N 1640404468 BEFDHOMLICHRET-UHFFFAOYSA-N 308.740 3.005 10 10 DGCE CN(Cc1cc(O)nc(-c2ccccc2)n1)Cc1ccccc1O 1652732538 VADAFBOCBSEGOJ-UHFFFAOYSA-N 321.380 3.187 10 10 DGCE CCC1(CC)[C@@H](NC(=O)N2Cc3cccc(O)c3C2)C[C@@H]1OC 1680882285 KTLGIZXBYZZHOG-HOTGVXAUSA-N 318.417 3.011 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCCC(F)F 1687835356 HAJAOTZIWHGJJL-UHFFFAOYSA-N 311.376 3.083 10 10 DGCE CCOCCN(CC)c1ccc(CNC)c(C(F)(F)F)c1 167379299 VBFVXVNKESMTFK-UHFFFAOYSA-N 304.356 3.288 10 10 DGCE COc1cc(NCc2ccc(O)cc2O)c(OC)cc1Cl 21790001 HQJAANROXBHIED-UHFFFAOYSA-N 309.749 3.381 10 10 DGCE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1CCCCN=[N+]=[N-] 1962298712 HGKZEJRYEWCDAR-QWHCGFSZSA-N 311.430 3.455 10 10 DGCE Oc1c(Br)cccc1CNC[C@H]1CC[C@@H](F)C1 1945253480 HIVYCNOIPIQDRR-GXSJLCMTSA-N 302.187 3.383 10 10 DGCE CC1(C)OCCC[C@H]1NCc1cccc(Br)c1O 1967880812 APWMPALTLVADNO-GFCCVEGCSA-N 314.223 3.202 10 10 DGCE CN(Cc1csc(Br)n1)c1ccc(CN)cc1 2004982291 VAFMSXHWOCFMPK-UHFFFAOYSA-N 312.236 3.001 10 10 DGCE CN[C@@H](c1ccccc1O)c1nc(C)sc1Br 2003570247 MWEWKOJWWCYNNU-JTQLQIEISA-N 313.220 3.228 10 10 DGCE Cc1onc(CN2CCC[C@@H](N=[N+]=[N-])C2)c1Br 2006818472 GZCCLPXSSKCSPK-MRVPVSSYSA-N 300.160 3.020 10 10 DGCE CCc1c(CNCc2cc(Cl)cc(Cl)c2O)cnn1C 2152900601 WNOGXACTJWSEDP-UHFFFAOYSA-N 314.216 3.285 10 10 DGCE CC[C@@H](CNC(=O)OC(C)(C)C)N[C@@H]1CCc2cccc(O)c21 309720436 NOEWWHAYSGVZHS-UONOGXRCSA-N 320.433 3.272 10 10 DGCE CCN(Cc1ccc(N)cc1)c1nc(C)ncc1Br 322936515 GRWZOAZFCOYSGW-UHFFFAOYSA-N 321.222 3.156 10 10 DGCE C[C@H](NCc1ccncc1Br)c1ccccc1O 686557297 PNVWWEGBHSHCST-JTQLQIEISA-N 307.191 3.401 10 10 DGCE CO[C@H]1CC[C@H]1N(C)c1ccc([C@H](C)N)cc1Br 724221009 GFMXUIWQHVDEEC-FZZIBODNSA-N 313.239 3.082 10 10 DGCE CN(Cc1cc(Br)ccc1O)[C@H]1COC(C)(C)C1 396520328 IVHYDTWXCQZIJO-GFCCVEGCSA-N 314.223 3.154 10 10 DGCE CN(c1ccc(CO)cc1Br)[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32 2070854556 JNCWCQKWPOMOSL-KAEXTRBYSA-N 308.219 3.032 10 10 DGCE CC(C)c1cc(C(=O)N(C)C)n([C@H](C)c2c(O)cccc2F)n1 2070084165 PGUASMLUWHJNAY-LLVKDONJSA-N 319.380 3.162 10 10 DGCE Oc1c(CN[C@@H]2CS[C@@H](C(F)(F)F)C2)ccc(F)c1F 2189246997 WAOCDRAJMNZICF-IONNQARKSA-N 313.291 3.196 10 10 DGCE CNCc1ccc(N2CC(C)(C3CC3)C2)cc1Br 2044965116 NESAFMVZJIQAEG-UHFFFAOYSA-N 309.251 3.405 10 10 DGCE C[C@@H](N)c1ccc(N2CC3CC(F)(C3)C2)cc1Br 2045324799 ZCAAFOAHVUDBFE-NAUIOFCNSA-N 313.214 3.407 10 10 DGCE CC1(C)CCOCCN1Cc1ccc(Br)cc1O 2062074238 ZLKPTUPOFCXMIK-UHFFFAOYSA-N 314.223 3.156 10 10 DGCE CN[C@H](C)c1ccc(N(C)[C@H]2CCOC[C@H]2F)c(Cl)c1 2186746514 FMRCKRGYKYGALE-YVLXSGLVSA-N 300.805 3.184 10 10 DGCE CN1CCCc2cc([C@@H](N)c3ccc(Br)o3)ccc21 2106848048 CJPDMTVAPNWZBD-OAHLLOKOSA-N 321.218 3.473 10 10 DGCE COc1c(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])csc1Cl 2268921530 BXAKGWPGLGCYHM-SSDOTTSWSA-N 300.771 3.325 10 10 DGCE CSc1ncc(CNC[C@H]2CNC[C@@H](C(C)(C)C)C2)s1 2284720867 JOXYHTOVRHXCTA-NEPJUHHUSA-N 313.536 3.226 10 10 DGCE CCC1=NN2C(=N)C(=Cc3c[nH]c4ccccc34)C(=O)N=C2S1 2297333564 LWZKCJJGUJVMLL-UHFFFAOYSA-N 323.381 3.197 10 10 DGCE COc1ccc(N=Nc2c(C(=O)O)nc3c(O)cccn23)cc1 2320774383 SFMCNJWDZNBKGG-UHFFFAOYSA-N 312.285 3.162 10 10 DGCE CCOc1ccc(C=C2C(=O)N(CC)N=C2CC)cc1OCC 2332107190 YYVAWTFKLFQAEX-UHFFFAOYSA-N 316.401 3.496 10 10 DGCE Cc1ccc(C)c(SC[C@@H](O)COc2ccc(N)cc2)c1 51328382 JQCJZRWGNVPRER-HNNXBMFYSA-N 303.427 3.418 10 10 DGCE Cc1ccc(CCC(=O)NCCc2cc(O)c(O)cc2C)cc1 170211181 FRTWAWLXLOSDLI-UHFFFAOYSA-N 313.397 3.006 10 10 DGCE O=Cc1cccc2c(O)c(I)sc12 307498579 LBDXZCNTKAAXNQ-UHFFFAOYSA-N 304.108 3.024 10 10 DGCE CCN(Cc1ccc(N)cc1)C(=O)c1ccc(Cl)cc1O 35361067 DVFVHTVPZGDGTB-UHFFFAOYSA-N 304.777 3.290 10 10 DGCE CN(C)c1ccc(CNC(=O)c2c[nH]c3cc(F)ccc23)cc1 181062344 ZIACZKVAMNLGTQ-UHFFFAOYSA-N 311.360 3.303 10 10 DGCE CC(=O)N(C(=O)NCc1ccc(Cl)cc1)c1ccc(N)cc1 217315235 IZNRDLLHWZKTCH-UHFFFAOYSA-N 317.776 3.185 10 10 DGCE CN(C)C[C@@H](NCc1c(O)cccc1Cl)c1ccccc1 83551609 VHUGXSWKJWMHAW-MRXNPFEDSA-N 304.821 3.438 10 10 DGCE CC(C)[C@H](NS(=O)(=O)Cc1ccc(N)cc1)c1cccs1 49554636 JWQXOZPBWWKQGL-HNNXBMFYSA-N 324.471 3.147 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)Nc1ncccc1F 193951903 SIHRINRKCWNCQV-UHFFFAOYSA-N 315.348 3.127 10 10 DGCE CCC[C@@H](NC(=O)COc1ccc(N)cc1)c1cccs1 49540676 MWIJTSPJWVXEQQ-CQSZACIVSA-N 304.415 3.367 10 10 DGCE Cc1cc(O)c(CN2CCc3nc(C(C)C)ncc3C2)cc1C 527614536 ZKLNGBIUSOHWSM-UHFFFAOYSA-N 311.429 3.481 10 10 DGCE [N-]=[N+]=NCCCNC(=O)/C=C/c1ccc(Br)s1 701319048 NUEIMTJRWONDGG-HWKANZROSA-N 315.196 3.340 10 10 DGCE CC(=O)C(=O)COC(=O)C1(Sc2ccc(C)cc2)CCCC1 808525034 PHHKKNFWSDVLNN-UHFFFAOYSA-N 320.410 3.101 10 10 DGCE Nc1cc(F)cc([C@H](N)c2ccc(OC(F)(F)F)cc2)c1O 725274883 YFHJRTWOUZDDFJ-GFCCVEGCSA-N 316.254 3.060 10 10 DGCE Oc1c(F)cc(Cl)cc1CNCC1(CF)CCOCC1 824795022 KVUGLYDSXHDOFR-UHFFFAOYSA-N 305.752 3.041 10 10 DGCE CN(C)c1ccc(CN2C[C@@]34CCCC[C@]3(COC4)C2)cc1F 827850331 NPWLOBYFXGAHCI-RTBURBONSA-N 318.436 3.284 10 10 DGCE O=S(=O)(/C=C\c1ccccc1)Nc1ccc(O)c(Cl)c1 588388570 HISAEKQSSSRUKW-HJWRWDBZSA-N 309.774 3.458 10 10 DGCE CN(C)c1ccc(/C=C/CNCCN2Cc3ccccc3C2)cc1 835037789 XISYBKAZTFGFFC-AATRIKPKSA-N 321.468 3.371 10 10 DGCE Cc1cc(Cl)cc(CN2CCC[C@@H]([C@H]3CCCN3)C2)c1O 843046035 SVEAFAOLWJJPQA-CZUORRHYSA-N 308.853 3.318 10 10 DGCE C/C(=C\c1cccnc1)C(=O)N(C[C@H]1CCCO1)c1ccncc1 846879770 QELYTPNBRWMSQJ-NKAIQICCSA-N 323.396 3.092 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)NCCCC(C)C)C2)cc1 851947333 ZDEULQMEXKVYBX-OAHLLOKOSA-N 319.449 3.009 10 10 DGCE COc1cc(N[C@@H](C)c2ccc(N(C)C)cc2)cnc1OC 858481537 JEMSGOLFCGRFIH-LBPRGKRZSA-N 301.390 3.338 10 10 DGCE Cc1ccc([C@H](C)N[C@@H]2Cc3ccccc3N(C)C2=O)c(O)c1C 850502774 ZHIIKMTWJPDMJA-WMLDXEAASA-N 324.424 3.247 10 10 DGCE Cc1cc(C)cc(OCCC(=O)N2Cc3cccc(O)c3C2)c1 871198304 GUFCFUXZQUHFIK-UHFFFAOYSA-N 311.381 3.320 10 10 DGCE Cc1cc(Cl)cc(CN2CCN(Cc3ccco3)CC2)c1O 775644474 INXUAURPFYLLMI-UHFFFAOYSA-N 320.820 3.265 10 10 DGCE Oc1c(F)cc(Br)cc1CN1CC[C@@H]1C1CC1 894882827 LSALFFCBTJVNGU-GFCCVEGCSA-N 300.171 3.278 10 10 DGCE Cc1noc2ncc(CNCCCSc3nccs3)cc12 894302624 DREIFVRNPBLHDJ-UHFFFAOYSA-N 320.443 3.260 10 10 DGCE Cc1ccncc1N1CCN(Cc2cc(Cl)ccc2O)CC1 798962335 PJINTFNWJOHOSU-UHFFFAOYSA-N 317.820 3.071 10 10 DGCE CNCc1ccc(N2CC[C@H](C(F)F)C2)c(Br)c1 707146523 KZCSAQGGPLGVGH-JTQLQIEISA-N 319.193 3.260 10 10 DGCE C[C@@H](NC(=O)COc1ccsc1)c1ccc(N(C)C)cc1 799989382 NNHGDYRKOAJNQW-GFCCVEGCSA-N 304.415 3.070 10 10 DGCE Cc1ccc(F)c2oc(C(=O)NCc3ccc(O)c(O)c3)cc12 1150378989 ZLUXJUHXVIUFEH-UHFFFAOYSA-N 315.300 3.222 10 10 DGCE CNc1ccc(C(=O)NCc2cc(Cl)ccc2O)cc1F 1300395816 DWPXWKGFWCFXFL-UHFFFAOYSA-N 308.740 3.156 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2C[C@H]1CCC2(CCC2)O1 1168858978 IGRJBTOSWYMOBT-OAHLLOKOSA-N 302.418 3.053 10 10 DGCE CC(C)N[C@@]1(CO)C[C@H](C)C[C@@H](Sc2nccs2)C1 2118785966 LDFFYQKPTFBNND-BZPMIXESSA-N 300.493 3.153 10 10 DGCE Cn1cnc(/C=C/C(=O)N(Cc2ccccc2)c2ccccn2)c1 1354340999 BDAIDHIGTVFZHC-ZHACJKMWSA-N 318.380 3.062 10 10 DGCE CC[C@@H]1CCOCCN1Cc1c(O)cccc1Br 1913683985 HUIJCBCFHRYNDM-LLVKDONJSA-N 314.223 3.156 10 10 DGCE CC[C@H](CC(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1458039143 HSPNCRPPQCSIIQ-MRXNPFEDSA-N 318.461 3.416 10 10 DGCE COCc1ccc(C(=O)N[C@@H](C)c2ccccc2O)cc1F 1454817316 KBADCNKWDCIKJF-NSHDSACASA-N 303.333 3.169 10 10 DGCE CC[C@H](N)Cc1c(Sc2nccs2)nc2ccccn12 111588026 NNBAROYYNYNUNR-JTQLQIEISA-N 304.444 3.222 10 10 DGCE COc1cc([C@@H](CO)N=[N+]=[N-])ccc1NC(=O)OC(C)(C)C 1536011293 JCTISSBYYNTHLD-LLVKDONJSA-N 308.338 3.386 10 10 DGCE Cc1cccc2c1N(C1CC1)CCN2C(=O)c1cccc(O)c1O 1556244526 ISICIMZYNRGZHU-UHFFFAOYSA-N 324.380 3.035 10 10 DGCE Cc1nc2ccc(NC(=O)c3ccc(N=NC(N)=O)cc3)cc2[nH]1 1566328962 JVZYODOUTABAHE-UHFFFAOYSA-N 322.328 3.286 10 10 DGCE C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)Cc1ccc(O)c(O)c1 1636974091 QAUZRERZJRHXIV-GXTWGEPZSA-N 305.418 3.314 10 10 DGCE C[C@H]1CCc2sc(C(=O)NCc3cc(O)ccc3O)cc2C1 1651223027 WQOGYZBBCGFFHH-JTQLQIEISA-N 317.410 3.214 10 10 DGCE O=C(NCCCc1ccccc1F)NCc1c(O)cccc1F 1686344568 FAHVTFDATBUVCR-UHFFFAOYSA-N 320.339 3.102 10 10 DGCE CCCOC(=O)c1cccc(NN=NCCCn2ccnc2)c1 1860495114 PPJYPHFYGAIPFC-UHFFFAOYSA-N 315.377 3.319 10 10 DGCE Cc1ccc2oc(=O)c(C(=O)Nc3ccc(N)cc3)c(C)c2c1 1866290836 MMICLHPXOWKQBL-UHFFFAOYSA-N 308.337 3.244 10 10 DGCE Nc1cccc(C(=O)O)c1N[C@@H]1CC[C@H]1OCc1ccccc1 1939578446 MSTCVVANUNQUOZ-HZPDHXFCSA-N 312.369 3.127 10 10 DGCE Cc1ncc(Br)c(N(C)[C@@H](C)c2ccccc2O)n1 1877532359 FGSJQXVUKOUFGS-VIFPVBQESA-N 322.206 3.451 10 10 DGCE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(CCCCN=[N+]=[N-])C1 1962297774 ASONFJCFXWJFBK-STQMWFEESA-N 311.430 3.312 10 10 DGCE NCc1ccc(N2CCC(=CBr)C2)cc1Cl 1981333288 NWRZVNRDIZHKII-UHFFFAOYSA-N 301.615 3.288 10 10 DGCE C[C@H]1[C@H](CN(C)c2ccc(CO)c(Br)c2)C1(F)F 2036079620 VGZSKFRPCXLZCB-KWQFWETISA-N 320.177 3.279 10 10 DGCE C[C@H]1C[C@@H](CCNCc2c(O)cccc2Br)CO1 2041487049 QFMPBJQYQSGOPR-WDEREUQCSA-N 314.223 3.059 10 10 DGCE CN1CC[C@@H]2[C@@H](CCN2Cc2cc(Cl)cc(Cl)c2O)C1 2170943412 RLAXZQOGPXLICH-IINYFYTJSA-N 315.244 3.225 10 10 DGCE CCCN[C@]1(C(=O)O)CC[C@H](Sc2nccs2)[C@@H]1CC 2179107384 SVDWCSILRMXUNV-COPLHBTASA-N 314.476 3.247 10 10 DGCE CN(C)c1ccc([C@H](N)[C@@](C)(O)c2ccc(Cl)s2)cc1 2163133051 IYPCOEGQCDGPQV-GJZGRUSLSA-N 310.850 3.375 10 10 DGCE Oc1c(Cl)cccc1CNCCCn1cc(Cl)cn1 388253164 ISQVIFGEQVBSHQ-UHFFFAOYSA-N 300.189 3.075 10 10 DGCE COc1ccc(O)c(Cn2nc(-c3ccccc3)cc2C(=O)O)c1 2069901161 KZRXRKGFKMQKCZ-UHFFFAOYSA-N 324.336 3.011 10 10 DGCE COc1ccc([C@H](C)n2nc(C)cc2Br)c(O)c1 2070157635 XGLYYMSNBNIEMM-VIFPVBQESA-N 311.179 3.278 10 10 DGCE CNCc1cc(C(C)C)nn1[C@H](C)c1ccc(OC)cc1O 2070175041 LWVHRQNAQVCLFR-GFCCVEGCSA-N 303.406 3.049 10 10 DGCE Cc1cc(NS(=O)(=O)[C@@H]2CCCC[C@H]2F)c(C)cc1O 2175531418 NEMIXFUQZQNAAG-BXUZGUMPSA-N 301.383 3.031 10 10 DGCE Cn1cc(NCc2cc(Cl)ccc2O)c(C(F)(F)F)n1 2178711557 NHVYGSNWROVAAY-UHFFFAOYSA-N 305.687 3.410 10 10 DGCE COc1ccc(Cn2nc(C3CC3)c(C3CCC3)c2N)c(O)c1 2079796838 UFAWSVYOQFUYDL-UHFFFAOYSA-N 313.401 3.373 10 10 DGCE Cc1oc(Br)cc1[C@H](O)c1ccc(N(C)C)cc1 2044713288 HJTSTONOOOVWTL-CQSZACIVSA-N 310.191 3.498 10 10 DGCE CC[C@]12C[C@@H]1CN(c1ccc(CNC)cc1Br)C2 2048615003 VTBGQMKQDQXGMM-IUODEOHRSA-N 309.251 3.405 10 10 DGCE Oc1ccc(Br)cc1CN[C@@H]1CC12CC(F)(F)C2 2069085230 SFORTLMQWSEHDZ-LLVKDONJSA-N 318.161 3.432 10 10 DGCE Cc1nn(C)c(CN(C)CCCCN=[N+]=[N-])c1Br 2072336107 XQMWSOACPPAFCL-UHFFFAOYSA-N 315.219 3.013 10 10 DGCE C[C@H]1CC[C@@H](CN(C)Cc2ccc(Br)cc2O)O1 2075393381 VGFGLCJTZIGRJF-GWCFXTLKSA-N 314.223 3.154 10 10 DGCE Cc1cc(N2C[C@](C)(F)[C@](C)(Br)C2)ccc1CN 2084851520 JOFCMMOWSXYSQE-KGLIPLIRSA-N 315.230 3.156 10 10 DGCE C[C@H](O)c1ccc(N2CCn3cccc3C2)c(Br)c1 2114548504 ASPFGDJIYKADSH-NSHDSACASA-N 321.218 3.324 10 10 DGCE CN(C[C@@H](F)C1CCOCC1)c1ccc(CO)c(Cl)c1 2238336459 LFFSBNFECGKLPZ-OAHLLOKOSA-N 301.789 3.033 10 10 DGCE O=C(O)Cn1cc(C=C2C(=O)Nc3ccccc32)c2ccccc21 2293883309 HXLYVWDEHNLSIK-UHFFFAOYSA-N 318.332 3.219 10 10 DGCE CSc1ncc(CN=c2[nH]c(C)nc3ccccc23)s1 2287283493 MVNLOFAMXOCGMZ-UHFFFAOYSA-N 302.428 3.151 10 10 DGCE CCCCC1=NN2C(=N)C(=Cc3ccccc3)C(=O)N=C2S1 2297310202 IWLXXRFLQOCLTH-UHFFFAOYSA-N 312.398 3.496 10 10 DGCE CC=C(C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 2297824546 LTCCUHFBCIKOFQ-CYBMUJFWSA-N 324.371 3.339 10 10 DGCE Cc1ccc2c(c1)OCCN2C(=O)C=Cc1scnc1C 2310093295 BGQGGQQYAVUMGM-UHFFFAOYSA-N 300.383 3.199 10 10 DGCE CCCCOCCCN1C(=O)C(=Cc2ccc[nH]2)SC1=S 2323744628 UHIYVIRHEVWBBE-UHFFFAOYSA-N 324.471 3.423 10 10 DGCE Cc1ccc(CNC[C@@H]2CCCS2)c(O)c1Br 2307572710 ZQNZOVFCHDCQTK-NSHDSACASA-N 316.264 3.448 10 10 DGCE CCCN1N=C(C(F)(F)F)C(=Cc2cccc(OC)c2)C1=O 2332141695 QOZUDBNXLADEFT-UHFFFAOYSA-N 312.291 3.249 10 10 DGCE Cc1cnc(NCc2ccc(C)c(Br)c2O)nc1 2327597038 RLFHIZWDJFUVDB-UHFFFAOYSA-N 308.179 3.174 10 10 DGCE CO[C@@H]1CCCN(Cc2ccc(C)c(Br)c2O)C1 2327600676 WLAHXYKIURNIJD-GFCCVEGCSA-N 314.223 3.074 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@H]1COC2CC1C2 2208743770 HVZIJSAKKXAYDV-BSTRBVHOSA-N 302.201 3.214 10 10 DGCE Cc1nccn1C[C@H](C)CN[C@H](C)c1ccc(F)c(F)c1O 187699174 RPXAGOIPZZOYJF-GHMZBOCLSA-N 309.360 3.162 10 10 DGCE CC[C@H](NCc1cc(F)cc(C(C)=O)c1O)c1nccs1 185087694 NEXBPEMLOZMVNX-ZDUSSCGKSA-N 308.378 3.431 10 10 DGCE CCN1C(=O)/C(=C/C=C\c2ccccc2OC)SC1=S 212793651 MMCHKCDBNJNBGP-RXTIBHSBSA-N 305.424 3.473 10 10 DGCE COc1ccc(CNC2CC2)cc1CSC1CCOCC1 81892037 APTPKRYBDHMAFW-UHFFFAOYSA-N 307.459 3.359 10 10 DGCE COc1ccc2ccc(O)c(CN3CCO[C@@H](C(F)F)C3)c2c1 193441978 UMWKRCOIKNCXCU-MRXNPFEDSA-N 323.339 3.020 10 10 DGCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CC[C@H]2CCCC[C@H]2C1 245642184 ANKLZPFJQRYAFO-OWCLPIDISA-N 317.429 3.363 10 10 DGCE Oc1ccc(Cl)c(F)c1CNC[C@H]1CCN1C1CCCC1 527805561 BNBJSDBZVLVOEM-GFCCVEGCSA-N 312.816 3.291 10 10 DGCE CC(=O)C(=O)COC(=O)c1cc(-c2ccccc2)ccc1Cl 808517083 RFLRGGUSTJEPIY-UHFFFAOYSA-N 316.740 3.322 10 10 DGCE CC(=O)c1cc(F)cc(CN2CC[C@]3(C)[C@H](C2)C3(F)F)c1O 298225103 GPVJPRPTACTATC-DZGCQCFKSA-N 313.319 3.211 10 10 DGCE COc1cccc(CNC(=O)c2ccc(C(C)(C)C)cn2)c1O 817549315 JMEYTYNREBHMEQ-UHFFFAOYSA-N 314.385 3.023 10 10 DGCE Oc1c(Cl)cccc1[C@H](CCC(F)(F)F)N1CCNCC1 575286091 YVBFUHQTKQAYCZ-LBPRGKRZSA-N 322.758 3.334 10 10 DGCE CC[C@@H](NCCCNCc1cccnc1)c1ccc(F)cc1O 817942034 XBNRZFGILVDEAG-QGZVFWFLSA-N 317.408 3.147 10 10 DGCE O[C@H](CNCc1ccc(N2CC=CC2)cc1)CC1CCCC1 819095218 BYASQCSJOCASAE-IBGZPJMESA-N 300.446 3.094 10 10 DGCE CNCc1ccc(N(CC(F)F)CC(F)(F)F)c(F)c1 720120345 SQECMBXSRZKPEE-UHFFFAOYSA-N 300.246 3.179 10 10 DGCE C[C@@H]1C[C@@H]1CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 725848621 YZCVVWVOKPVATQ-UKRRQHHQSA-N 303.406 3.331 10 10 DGCE Cc1cc(CN2C[C@@H](O)CC(F)(F)C2)ccc1N1CCCCC1 829151698 MIONYTOAVRWUIA-INIZCTEOSA-N 324.415 3.187 10 10 DGCE COc1cccc(C2=NN[C@@H](c3cc(Cl)ccc3O)C2)c1 821157457 GJYZEWBVATULAS-OAHLLOKOSA-N 302.761 3.493 10 10 DGCE COc1ccc(CN(C)C/C=C/c2ccc(N(C)C)cc2)cn1 835048762 XYACAHWXAIRBKO-AATRIKPKSA-N 311.429 3.301 10 10 DGCE C[C@@H](CC(=O)NCc1c(O)ccc2c1CCCC2)[C@@H]1CCCO1 830559326 MWMIVCLLSDTZGC-UGSOOPFHSA-N 317.429 3.092 10 10 DGCE CCC[C@H](C)N(C)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] 733187209 LWNHXYIWIWLMCE-OANVXVOSSA-N 306.362 3.406 10 10 DGCE COc1cccc([C@H](C)NCCN2[C@@H](C)CCC[C@H]2C)c1O 846147251 UXVCLEOQQLZAPD-ZNMIVQPWSA-N 306.450 3.314 10 10 DGCE Cc1nocc1/C=C1\SC(=S)N([C@H]2C[C@H]3CC[C@H]2C3)C1=O 841497838 YYJNDRZPORDFNG-UZJBCEBJSA-N 320.439 3.373 10 10 DGCE CC[C@H](NCC[C@@H](COC)OC)c1cc(Cl)ccc1O 850486948 WOXYOHPRDGSTRV-JSGCOSHPSA-N 301.814 3.138 10 10 DGCE CC[C@@H](NCC12CC(CN1)C2)c1ccc(Cl)c(Cl)c1O 854226605 IRGYEZJHQPZSRT-YAKODHLKSA-N 315.244 3.492 10 10 DGCE C[C@H](NCc1cnc(C(F)(F)F)nc1)c1ccc(F)cc1O 850486010 QIFYIUQCUGINCJ-QMMMGPOBSA-N 315.270 3.191 10 10 DGCE COc1ccc(N2CC[C@H](N[C@H](C)c3cncc(C)c3)C2)cc1 850488920 PMMYDYJQYAPELR-WBVHZDCISA-N 311.429 3.328 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)c3cc(C)ccc3C)C2)cc1 855234844 ODRIPLXWPUKZFN-MRXNPFEDSA-N 324.424 3.321 10 10 DGCE C[C@H]1CN(c2ccc(OC(F)(F)F)cc2Cl)CC[C@H]1N 699643284 DYWYTOKONLMCNM-GZMMTYOYSA-N 308.731 3.412 10 10 DGCE COc1cc(CN[C@H]2C[C@@H](O)C23CCC3)c(O)c(C(C)(C)C)c1 850388516 NIGLHAXHUBYORD-JKSUJKDBSA-N 319.445 3.091 10 10 DGCE CCOC(=O)C1=CC[C@@H](NCc2c(O)cc(C)cc2Cl)C1 862489126 AEFYBNIIWCQYJY-GFCCVEGCSA-N 309.793 3.096 10 10 DGCE COc1ccc(O)c(CNCc2cccc(OC(C)(C)C)n2)c1 776253205 KXTJNZINOURGQG-UHFFFAOYSA-N 316.401 3.263 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@H]3C[C@@H](O)C[C@H]2C3)cc1 871103848 IZWIRHMNPDZRCY-ATZDWAIDSA-N 324.424 3.080 10 10 DGCE Cc1cc(C(=O)NCc2ccccc2O)c2nccc(C)c2c1 786389599 DDUZEOZETDEMBR-UHFFFAOYSA-N 306.365 3.487 10 10 DGCE O=C(NCCCSc1nccs1)c1cc2ncccc2o1 1136661552 IMLUNLJXGMNOBX-UHFFFAOYSA-N 319.411 3.197 10 10 DGCE C[C@H]1CN(c2ccc(OC(F)(F)F)cc2Cl)[C@@H](C)CN1 699652184 ZUQAZEZLWDFLDK-IUCAKERBSA-N 308.731 3.425 10 10 DGCE O=C(Cc1cccc2ccccc12)NCc1cccc(O)c1O 1176566289 UGSHFACBXHNCQL-UHFFFAOYSA-N 307.349 3.110 10 10 DGCE CN(Cc1ccc(N)cc1)[C@H]1CCCC2(OCCO2)C1(C)C 2116390521 FNKUWCNGJMPKMB-INIZCTEOSA-N 304.434 3.022 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1CCC=CCCC1 1180307465 OQJRLJYGRRYUQK-MRYVQMPPSA-N 301.386 3.364 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C[C@@H]2CCCC[C@@H]21 1254781059 PUKJONVXJCFXGH-RYQLBKOJSA-N 315.461 3.473 10 10 DGCE C[C@@H]1[C@H](CNCc2ccc(Br)cc2O)C1(F)F 1947969041 GEHUGIBEMYHIEC-XCBNKYQSSA-N 306.150 3.146 10 10 DGCE Cc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1N1CCCC1 1134790 UUOIMFAHSHHKFW-GXDHUFHOSA-N 318.467 3.426 10 10 DGCE C[C@H]1CC/C(=C\C(=O)N2CCOc3cc(N(C)C)ccc32)C1 1532657168 UXUUWJRFHCBSCE-UQRISPGASA-N 300.402 3.224 10 10 DGCE O=C(NCc1c(O)cccc1O)C1(Sc2ccccc2)CC1 1558534893 YZHPAQKUFAVAKI-UHFFFAOYSA-N 315.394 3.039 10 10 DGCE Cc1ccccc1[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(C)C 1628808875 UIKIPFQHOICLLS-LJQANCHMSA-N 313.397 3.462 10 10 DGCE COC(=O)[C@@H](c1ccc(Cl)cc1)N(C)Cc1ccccc1O 1559607257 GSQUKCOEQQWLIF-MRXNPFEDSA-N 319.788 3.392 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)CN(C)CC(C)(C)C 1639522910 ZTRCOLNVXIGJGH-UHFFFAOYSA-N 320.477 3.499 10 10 DGCE CCc1nc(C(C)C)ccc1C(=O)NCc1cc(O)ccc1O 1637126251 PWGJUJUCWBGWJE-UHFFFAOYSA-N 314.385 3.109 10 10 DGCE CCNCc1ccc(N2CCO[C@H](C)C2)cc1C(F)(F)F 167340490 GKIXBRUVDYZGIF-LLVKDONJSA-N 302.340 3.040 10 10 DGCE CN1/C(=C/C=C2/SC(=S)NC2=O)C(C)(C)c2ccccc21 5529297 GRXBURXHFVDQEI-QHKWOANTSA-N 316.451 3.330 10 10 DGCE CN[C@H](c1ccccc1O)[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 1936973358 GJUSVNBNYIMGEY-CRAIPNDOSA-N 320.433 3.300 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@@H]1C[C@H]2C[C@H]2CO1 1875664352 TXLPYTFZWBTAFV-QRTLGDNMSA-N 302.201 3.214 10 10 DGCE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N(C)CCN=[N+]=[N-] 1962286496 ARKYDMSQJHMFHC-QWHCGFSZSA-N 311.430 3.264 10 10 DGCE CCN(CCN=[N+]=[N-])[C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 1962299078 JZFQBKYJUUSCOF-STQMWFEESA-N 311.430 3.312 10 10 DGCE CC(C)[C@@H]([C@@H](N)c1ccccc1O)N(C)C(=O)OC(C)(C)C 1962445345 HBEMNWKEOOPNFS-GJZGRUSLSA-N 308.422 3.284 10 10 DGCE COc1cc(Cl)cc(CNCCC=CBr)c1O 1974433982 MRUCSXSENXPFBO-UHFFFAOYSA-N 320.614 3.443 10 10 DGCE C[C@H](C[C@H](O)c1ccc2c(c1)CCN2C)NC(=O)OC(C)(C)C 1977939039 NDHLIZGSVZREEH-WBMJQRKESA-N 320.433 3.016 10 10 DGCE C[C@H](c1cc(Br)ccc1O)N1CCOC(F)(F)C1 2034870708 CDRVOEGZTONZSV-MRVPVSSYSA-N 322.149 3.141 10 10 DGCE CCc1nn([C@H](CC)c2ccc(OC)cc2O)c(Cl)c1N 2079997539 DWYGHRVXJBOORV-GFCCVEGCSA-N 309.797 3.395 10 10 DGCE CN(C[C@]1(C)CCCOC1)c1cc(Cl)c(CN)cc1F 2190140175 OVWCNLJCNPBPCR-HNNXBMFYSA-N 300.805 3.191 10 10 DGCE CC[C@@H](COC)N(C)c1ccc([C@H](C)N)cc1Br 2047310745 ZONZIFSUTUBJRD-JQWIXIFHSA-N 315.255 3.330 10 10 DGCE Oc1c(F)cc(Br)cc1CNC[C@@H]1CCC1(F)F 2062550393 GEHQMIBBUVFCDQ-QMMMGPOBSA-N 324.140 3.429 10 10 DGCE CN(C)c1ccc([C@@H](O)c2ccc(Br)cc2N)cc1 2106798830 PDGLJCWZVCZSGL-OAHLLOKOSA-N 321.218 3.179 10 10 DGCE CSc1ncc(CNCc2sccc2NC(C)=O)s1 2269272574 QEWOVKGAXPCWFJ-UHFFFAOYSA-N 313.473 3.175 10 10 DGCE Cc1cc(C(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])oc1Br 2218737759 KJMAKERUNAUJBT-YUMQZZPRSA-N 313.155 3.312 10 10 DGCE C[C@H]1CN([C@@H](C)c2cc(Br)ccc2O)[C@@H](C)CO1 2218983882 MYKBRTHSMXXQGR-DCAQKATOSA-N 314.223 3.325 10 10 DGCE COC(=O)Cc1nc2cc(C)ccn2c1N=Nc1cccc(O)c1 2320768374 CGVSNYLHHIOEDO-UHFFFAOYSA-N 324.340 3.479 10 10 DGCE C[C@@H](c1ccccc1O)N(C)c1c(Br)ncn1C 2315571222 HXTBGYSHGGGLAI-VIFPVBQESA-N 310.195 3.086 10 10 DGCE O=C(O)[C@]1(Sc2nccs2)CCC[C@H]2CSC[C@H]21 2326903464 JHWWZYXTBUUHCO-SBMIAAHKSA-N 301.458 3.222 10 10 DGCE Cc1ccc(CN(C)[C@H]2CCO[C@@H]2C)c(O)c1Br 2327569281 VTDXNCAJOVJGJE-PWSUYJOCSA-N 314.223 3.072 10 10 DGCE Oc1cc2c(cc1O)CN(Cc1ccc(Br)o1)CC2 2341216947 SBIYPJXAJZLMCZ-UHFFFAOYSA-N 324.174 3.012 10 10 DGCE CSc1ncc(CN[C@](C)(CCC(C)C)C(=O)O)s1 2349497530 XPSXHRMICRPIDJ-CYBMUJFWSA-N 302.465 3.234 10 10 DGCE CCN(CC)c1ccc(CNC(=O)C2C[C@@H](C)O[C@H](C)C2)cc1 179443284 KNRDNAKMLAIJDM-HUUCEWRRSA-N 318.461 3.353 10 10 DGCE C[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1nccs1 106282384 YYWOPJUPXHJKNV-GFCCVEGCSA-N 318.446 3.112 10 10 DGCE Cc1cc(CN)ccc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 309744717 XEFAVIABPXOECK-LJQANCHMSA-N 309.457 3.164 10 10 DGCE CN[C@H](C)c1ccc(N(C)CCCOC)c(Br)c1 62032129 XSZHFPAGKZWOAL-LLVKDONJSA-N 315.255 3.202 10 10 DGCE COc1cc(Cl)cc(CN2CCC(c3ccn[nH]3)CC2)c1O 184686784 KDYLBAWRVXFGMF-UHFFFAOYSA-N 321.808 3.157 10 10 DGCE c1ccc(CNC[C@@H]2CCN(c3ccc4c(c3)OCO4)C2)cc1 76439877 XTMXXNROFZQDPR-INIZCTEOSA-N 310.397 3.031 10 10 DGCE CCC(=O)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1 222742805 UFQMHINWSXAPRE-UHFFFAOYSA-N 324.424 3.324 10 10 DGCE Cc1cc(Br)ccc1NC(=O)c1ccc(O)c(O)c1 226952603 MXZREHSXXQDDJL-UHFFFAOYSA-N 322.158 3.421 10 10 DGCE Nc1ccc(OCCCN2CCC(C(F)(F)F)CC2)cc1 88417336 RZUSMSIMMSYVQJ-UHFFFAOYSA-N 302.340 3.312 10 10 DGCE COc1ccc(CNC2CC(NC(=O)OC(C)(C)C)C2)cc1C 227580308 HXVZDMNAKBLEFP-UHFFFAOYSA-N 320.433 3.149 10 10 DGCE Cc1ccc(O)c(CN(C)Cc2cn(C)nc2C(F)(F)F)c1 92069125 XNPMVJQGUZPPLA-UHFFFAOYSA-N 313.323 3.085 10 10 DGCE CC[C@H](N[C@@H]1c2ccccc2C[C@H]1O)c1ccc(N(C)C)cc1 246873840 DCUIXZLUPVLNKX-XUVXKRRUSA-N 310.441 3.452 10 10 DGCE CCN[C@@H]1C(=O)Nc2cc(N(C)[C@H](C)C3CC3)c(Cl)cc21 252593587 FWHIYJORPBAXNI-PSLIRLAXSA-N 307.825 3.177 10 10 DGCE CN(Cc1ccccc1)C(C)(C)CNCc1cccc(O)c1O 714219683 HEVURCXVTFORLP-UHFFFAOYSA-N 314.429 3.098 10 10 DGCE CCOc1ccc(CN2C[C@]34CCCC[C@@]3(COC4)C2)c(O)c1 827851253 RVNOSCQQYCTCGJ-OALUTQOASA-N 317.429 3.184 10 10 DGCE C[C@H](NC[C@H]1CC[C@@H](C(F)(F)F)O1)c1ccc(F)cc1O 903179568 QRKWEUKMYXKFHD-PLMOITTCSA-N 307.287 3.292 10 10 DGCE Cc1ncc(/C=C\C(=O)N2CCc3cc(F)c(F)cc32)s1 732732233 LCNSDNBAWQNKEJ-IHWYPQMZSA-N 306.337 3.332 10 10 DGCE COc1ccc(O)c([C@H](C)NC[C@@H]2CC[C@@H](C(F)(F)F)O2)c1 903178765 JIOZWHSLVQHVRW-CHIMOYNISA-N 319.323 3.161 10 10 DGCE CN(C)c1ccc(/C=C\CNC[C@]2(C)CCCC[C@H]2O)cc1 835041888 FPNRTMYOPZRERB-MGBKSAOESA-N 302.462 3.297 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1[C@@H](COc2ccc(N)cc2)C1(C)C 1894490933 FTOCOZGUOLISEK-HUUCEWRRSA-N 320.433 3.445 10 10 DGCE Cc1ncccc1OC[C@@H]1CCCN1Cc1cc(F)ccc1O 841897076 TYMGXWPBQKZPNP-INIZCTEOSA-N 316.376 3.278 10 10 DGCE Cc1cc(O)c(CN2CCC([C@@H]3CCCN3)CC2)c(Cl)c1 843043845 LAFKMTHOKYBONV-INIZCTEOSA-N 308.853 3.318 10 10 DGCE COC(=O)c1cnc(SCc2c(C)nsc2C)s1 848439904 YCUYCRGGLAXDFW-UHFFFAOYSA-N 300.430 3.295 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)OCc2cnccn2)cc1 740679144 RHABMLVWAGJJCQ-UHFFFAOYSA-N 307.353 3.241 10 10 DGCE C[C@@H](NC(=O)c1c(F)ccc(O)c1O)C1CCC(F)(F)CC1 848391742 OPGXTEHBHKSXHA-MRVPVSSYSA-N 317.307 3.181 10 10 DGCE Cc1cccc(O)c1CNCc1sncc1Br 1953109920 CAGBGHPMLWIIMM-UHFFFAOYSA-N 313.220 3.209 10 10 DGCE COc1cccc([C@H](C)NC[C@@H]2CCN2C2CCCCC2)c1O 858464170 ILCFFLXMAUIIMK-HOCLYGCPSA-N 318.461 3.458 10 10 DGCE CN(C)c1cc(F)c(CN[C@@H](C2CCOCC2)C2CC2)cc1F 858184804 OUNVIMVWQDWWHX-GOSISDBHSA-N 324.415 3.326 10 10 DGCE CN(C)C1(C)CCC(NCc2ccc3c(c2)CCCO3)CC1 922318429 UQBTVINHSVMLLS-UHFFFAOYSA-N 302.462 3.364 10 10 DGCE C[C@@H](NC[C@@H]1CCN1C1CCCC1)c1cc(F)cc(F)c1O 858531324 DKSIKNPMKOAAHE-RISCZKNCSA-N 310.388 3.338 10 10 DGCE COC[C@H](N[C@@H]1CCN(c2ccc(OC)cc2)C1)C1CCCC1 850489462 USHXXSIDPCDGOY-APWZRJJASA-N 318.461 3.069 10 10 DGCE Nc1ccc(N[C@@H]2CCN(C(=O)OCc3ccccc3)C2)cc1 1954644419 RJKVRLKKPNJCKW-QGZVFWFLSA-N 311.385 3.092 10 10 DGCE CS[C@H](C)CCC(=O)NCc1ccc2cccnc2c1O 862027480 UHMSFWUAELNQIY-LLVKDONJSA-N 304.415 3.088 10 10 DGCE CC[C@@H]1CN(Cc2cc(C)cc(C)c2O)CCN1CC(F)F 765719753 YXPPCSAGYJCIKR-OAHLLOKOSA-N 312.404 3.170 10 10 DGCE Cc1ccc(CNCC[C@H]2CCC3(CCOCC3)CO2)c(O)c1 895799041 GEABNKDBRICBAQ-QGZVFWFLSA-N 319.445 3.156 10 10 DGCE COc1cc(C)cc(CNCc2cc(O)ccc2Cl)c1O 895632515 DGUYQJHUDWDZAH-UHFFFAOYSA-N 307.777 3.358 10 10 DGCE CNCc1ccc(N2CCC(CF)CC2)c(Br)c1 689437601 UJPRGLOUAJYKDL-UHFFFAOYSA-N 315.230 3.354 10 10 DGCE Brc1cc(CNC2CC2)ccc1N1CC[C@H]2C[C@@H]21 707086719 JSSGTWHSJXIIGT-NHYWBVRUSA-N 307.235 3.300 10 10 DGCE COCC1(N(C)c2ccc([C@@H](C)N)cc2Br)CC1 707146569 LRLJCFCBHKRHKW-SNVBAGLBSA-N 313.239 3.084 10 10 DGCE CCC[C@H](COC)NCc1cc(Br)cc(F)c1O 715745927 OKDIRYUARPBQDH-LLVKDONJSA-N 320.202 3.199 10 10 DGCE Cc1cc(C(=O)NCc2cc(O)ccc2O)c2nccc(C)c2c1 1303225422 HTPHBHFIUNFPER-UHFFFAOYSA-N 322.364 3.193 10 10 DGCE c1cc(N2CCCC2)ccc1CNC[C@H]1CCC2(CCC2)O1 1262031196 KBYYXSBERFKECC-GOSISDBHSA-N 300.446 3.478 10 10 DGCE CC[C@@H]1CCOCCN1Cc1ccc(Br)cc1O 1913685084 YHUNXPDFCNVFEC-CYBMUJFWSA-N 314.223 3.156 10 10 DGCE COc1cccc(C(=O)Nc2c(Cl)ccc3nonc23)c1C 1459790050 UJCPAZRKEQIMHE-UHFFFAOYSA-N 317.732 3.446 10 10 DGCE CCOc1cc(CNCCOC)ccc1N1CCCC[C@H]1C 212714071 ALGNJWPJDYSHMG-OAHLLOKOSA-N 306.450 3.200 10 10 DGCE Cc1ccc(Cl)cc1CNC(=O)NCc1c(O)cccc1F 1471509065 OHIYCUZAFYNIMJ-UHFFFAOYSA-N 322.767 3.493 10 10 DGCE C[C@H](NC(=O)c1c(F)ccc(O)c1O)c1c(F)cccc1F 1611666828 CQINUPJMAXMEEM-ZETCQYMHSA-N 311.259 3.006 10 10 DGCE COc1ccc(N(Cc2cnon2)Cc2cccs2)cc1 1473225381 OTJDURCHQKQHEK-UHFFFAOYSA-N 301.371 3.347 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)Nc2cccc(F)c2F)cc1 1544126401 AJXBBHVDGDCUPC-UHFFFAOYSA-N 304.256 3.380 10 10 DGCE COc1ccc(CN(C)C(=O)c2cc(O)cs2)cc1Cl 1626687296 PVEKIMMZXMCECS-UHFFFAOYSA-N 311.790 3.388 10 10 DGCE CSc1ccccc1CN(C)C(=O)Cc1ccc(O)c(O)c1 1556451779 VSXAPEKAHNPKIE-UHFFFAOYSA-N 317.410 3.021 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)[C@]2(C)CC=CCC2)cc1 1639814147 LWKFQANBUBXMQN-LJQANCHMSA-N 316.445 3.336 10 10 DGCE O=C(Cc1cccc(Cl)c1F)N1Cc2cccc(O)c2C1 1644088136 GXQRIQZKIHIEHJ-UHFFFAOYSA-N 305.736 3.270 10 10 DGCE C[C@H](NC(=O)c1ccncc1Br)c1ccccc1O 1642831209 SVXLZDUHJSFPPC-VIFPVBQESA-N 321.174 3.041 10 10 DGCE O=C(NCc1c(O)cccc1F)c1cc(Cl)ncc1Cl 1645048193 KSEUJSKMZNQKIY-UHFFFAOYSA-N 315.131 3.163 10 10 DGCE CC(C)(C)OC(=O)NC1([C@H](N)c2ccccc2O)CCCC1 1928474203 JYXREQYRAZILQL-CQSZACIVSA-N 306.406 3.230 10 10 DGCE O=[N+]([O-])c1cccc(/N=N/c2c(C(F)(F)F)n[nH]c2O)c1 106388392 KWWBVPCUKDSQEJ-CCEZHUSRSA-N 301.184 3.458 10 10 DGCE Nc1ccc(NC(=O)C2=NO[C@@H](c3ccc(F)cc3F)C2)cc1 586033478 GCESNYZZDRCJQZ-OAHLLOKOSA-N 317.295 3.003 10 10 DGCE C[C@H]1CCN(CCCN=[N+]=[N-])[C@@H](CNC(=O)OC(C)(C)C)C1 1962306040 XCSASSXAEYUYKJ-QWHCGFSZSA-N 311.430 3.312 10 10 DGCE CC[C@@]1(NCc2ccccc2O)CCN(C(=O)OC(C)(C)C)C1 1975561234 HSKVSQHYRSDXOT-GOSISDBHSA-N 320.433 3.271 10 10 DGCE CC(C)(C)OC(=O)NCC[C@H](N)c1ccc(N2CCCC2)cc1 1977945727 PTYIPVNHNRMKRE-INIZCTEOSA-N 319.449 3.201 10 10 DGCE CN[C@@H]1CCc2cc(N(CCCO)Cc3ccccc3)ccc21 1986606143 IYVXCOMQJIHKGO-HXUWFJFHSA-N 310.441 3.282 10 10 DGCE CCc1cccc(CN[C@H]2CC[C@@H]2NC(=O)OC(C)(C)C)c1O 1986708001 ZBPXQAXPONOEEM-GJZGRUSLSA-N 320.433 3.100 10 10 DGCE C[C@@H](O)CN(Cc1ccccc1)c1c(F)cc([C@@H](C)N)cc1F 1990438515 BSZBBBBTWUANIL-CHWSQXEVSA-N 320.383 3.372 10 10 DGCE NCc1ccc(N2CC(CC(F)(F)F)C2)c(Br)c1 2034859787 CBMSPKKTICGYHB-UHFFFAOYSA-N 323.156 3.296 10 10 DGCE CNCc1ccc(N2CCN(Cc3ccccc3)C[C@H](C)C2)cc1 324000909 ISDMJFUPULKZEV-SFHVURJKSA-N 323.484 3.364 10 10 DGCE CCN[C@@H](C)c1ccc(N2CCO[C@@H](CF)C2)c(Cl)c1 2172041740 PLKSYBNVTCALGB-AAEUAGOBSA-N 300.805 3.185 10 10 DGCE Cc1ccc([C@H](C2CC2)n2nc(C(C)C)c(CO)c2N)c(O)c1 2078980450 DWWNMPMGZHIWEC-KRWDZBQOSA-N 315.417 3.094 10 10 DGCE Cc1cc(O)c([C@H](C(C)C)n2nc(C3CC3)c(N)c2N)cc1C 2079987431 UWLMSPVCFVQKTM-KRWDZBQOSA-N 314.433 3.493 10 10 DGCE CN[C@@H](C)c1ccc(N(C)[C@H](CCO)C(F)F)c(Cl)c1 2178502383 YVACMDWLTXOJEU-TVQRCGJNSA-N 306.784 3.073 10 10 DGCE Cc1ncnc(C)c1CNCc1cc(Cl)cc(Cl)c1O 2187426703 MHRHBXFDAFORIL-UHFFFAOYSA-N 312.200 3.396 10 10 DGCE C[C@@H](N=c1[nH]c(Cl)nc2c1SCC2)c1ccccc1O 2192622570 OVVRHZJRAAEYOV-MRVPVSSYSA-N 307.806 3.079 10 10 DGCE Oc1ccc(Br)cc1CN[C@H]1[C@@H]2[C@H]1CCC2(F)F 2051229001 GFSDTSFBDNRIAP-ADEWGFFLSA-N 318.161 3.288 10 10 DGCE CNCc1ccc(N(C)C[C@]2(C)CSCCO2)c(Cl)c1 2201255811 GIUUNBYXLZSXSD-OAHLLOKOSA-N 314.882 3.018 10 10 DGCE COc1ccc(Br)c(CN[C@H]2C[C@H]2C(C)C)c1O 2220462697 PTFUYLGGLGEZSA-CABZTGNLSA-N 314.223 3.297 10 10 DGCE CN(C)c1ccc([C@H](O)c2nc(C(F)(F)F)cs2)cc1 2234854094 KUBOIIXROXDGSN-NSHDSACASA-N 302.321 3.310 10 10 DGCE C[C@@H](N)c1ccc(N2CC[C@@H](OC(F)(F)F)C2)cc1Cl 2238904067 ISRVKFWIOUAEKF-PSASIEDQSA-N 308.731 3.475 10 10 DGCE CC(=CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C1CC1 2297602882 DULCRNRYVJGRAP-KRWDZBQOSA-N 315.413 3.256 10 10 DGCE Fc1ccc(N=NN2CCN(c3ncccn3)CC2)cc1Cl 2330154848 XRNNCUAIEGQGAW-UHFFFAOYSA-N 320.759 3.090 10 10 DGCE Cc1ccc(CNCCc2ccoc2)c(O)c1Br 2327625588 DMVIUFQHKPHVHJ-UHFFFAOYSA-N 310.191 3.388 10 10 DGCE Cc1ccc(CN[C@@H](C)CC(C)(C)O)c(O)c1Br 2327613262 TWKKWYXYSXHVIP-JTQLQIEISA-N 316.239 3.102 10 10 DGCE Cc1ccc(CN(C)C(=O)CC2CC2)c(O)c1Br 2327799496 WJFJVIJAEZYIAO-UHFFFAOYSA-N 312.207 3.222 10 10 DGCE Nc1ccc(OC[C@H](O)CSc2cc(F)ccc2F)cc1 51328479 WZXXEIWPRYNQPE-LBPRGKRZSA-N 311.353 3.079 10 10 DGCE CC[C@H](C)c1cc(C(=O)N[C@H](C)c2cc(OC)ccc2O)on1 173131370 JGDCZYMKCWXLOQ-WDEREUQCSA-N 318.373 3.393 10 10 DGCE Cn1cccc1[C@H]1CCCCN1Cc1cc([N+](=O)[O-])ccc1O 175139906 WCWHEQBGMGBVQY-MRXNPFEDSA-N 315.373 3.366 10 10 DGCE COc1ccc(N2CCN(C[C@H](CC(C)C)OC)CC2)cc1F 1192108532 WVRGZOBLNVCRGK-INIZCTEOSA-N 324.440 3.017 10 10 DGCE CC(C)c1nnsc1CN(C)c1ccc(CO)cc1Cl 2361112868 KNQIUICAHHRWIA-UHFFFAOYSA-N 311.838 3.444 10 10 DGCE C[C@@H](NCc1ccnn1C)c1ccc(Cl)c(Cl)c1O 184996526 NGHIRXRANQHXOF-MRVPVSSYSA-N 300.189 3.283 10 10 DGCE Nc1ncccc1OCc1c(F)ccc(Br)c1F 230304290 NTHNKUNVYWDTCY-UHFFFAOYSA-N 315.117 3.284 10 10 DGCE CCN1CC[C@@H](NCc2ccc(N3CCCC3)cc2)[C@@H](C)C1 247224353 WLFCGFDGJAFYMB-QFBILLFUSA-N 301.478 3.107 10 10 DGCE O=C(/C=C\c1cncc(O)c1)N1CCc2ccc(Cl)cc21 255380338 WZDFFZJQOUDSSC-RJRFIUFISA-N 300.745 3.043 10 10 DGCE O=C(O)/C=C\c1ccc(N2C[C@H]3C[C@H]3C2)cc1Br 380375956 ICUQBVRPJOVAEJ-XVBRFGGHSA-N 308.175 3.003 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1ccccc1C 808094119 BJTGDKSBHYPACV-UHFFFAOYSA-N 304.386 3.045 10 10 DGCE CCOc1cccc(CN[C@H]2CCCCC[C@H]2C(=O)OC)c1O 294748124 HWSARXGEAFQNSO-CABCVRRESA-N 321.417 3.002 10 10 DGCE CCN1CC[C@H](N(C)Cc2cc(Cl)c(F)cc2O)[C@H](C)C1 816514723 FXVVOTZUBYVTHP-ABAIWWIYSA-N 314.832 3.347 10 10 DGCE COc1ccc(CNC/C=C\c2ccc(N(C)C)cc2)cc1O 835037695 SDYBMIQKWVVACS-PLNGDYQASA-N 312.413 3.270 10 10 DGCE CCCC[C@@](C)(CO)NCc1cc(Cl)cc(OC)c1O 843426140 OKPVTTXWTXFMMO-HNNXBMFYSA-N 301.814 3.085 10 10 DGCE COc1cccc(CN2C[C@@H](C)OC3(CCCCC3)C2)c1O 848928821 ONJYANCTBXVLNB-CQSZACIVSA-N 305.418 3.324 10 10 DGCE CN[C@H](C)c1ccc(N(C)C[C@@H]2OCC[C@H]2F)cc1Cl 2179112631 ZKDYDEVOMPTSJK-KMUNFCNLSA-N 300.805 3.184 10 10 DGCE COc1ccc2c(c1)C[C@@H](C(C)C)CN2CCC(OC)OC 852186579 FTWUEDIMQPJIPF-OAHLLOKOSA-N 307.434 3.339 10 10 DGCE C[C@H]1CN(Cc2c(O)ccc3ccncc23)C[C@@](C)(C(F)F)O1 853631457 WKNAWZDCUWSWLA-GTNSWQLSSA-N 322.355 3.185 10 10 DGCE C[C@@H](NCC[C@H]1COc2ccccc2O1)c1cc(F)ccc1O 756756969 ASUJKEMUWOOWLQ-OCCSQVGLSA-N 317.360 3.412 10 10 DGCE CC(C)[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)C1CC1 852649825 UOVUMHPPIINUOL-MRXNPFEDSA-N 307.413 3.126 10 10 DGCE Cc1ncccc1/C=C/C(=O)N1CCN(C)c2ccc(F)cc21 1126642999 ODTOOYXAKUKNGL-VMPITWQZSA-N 311.360 3.025 10 10 DGCE CN(C[C@H]1CCCS1)c1ccc(CN)c(Br)c1 718418579 PQVZOABTIDNJND-GFCCVEGCSA-N 315.280 3.240 10 10 DGCE O=C(CCC(F)F)Nc1c(-c2ccccn2)nc2ccccn12 796773622 APPAECUNGIGMBG-UHFFFAOYSA-N 316.311 3.380 10 10 DGCE CN(C(=O)Cc1ccc(O)c(O)c1)[C@H]1CCC[C@@H]1C(C)(C)C 1142514321 LJTPNOUKAZHPNW-KBPBESRZSA-N 305.418 3.314 10 10 DGCE Cc1nccn1CC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C 1307320064 SMNYPKWSEFTZCN-UHFFFAOYSA-N 312.348 3.016 10 10 DGCE CC/C=C(/C)C(=O)N(C)[C@H](C)CNCc1ccc(OC)c(C)c1 1319428288 GZIFNQWCRQHUKN-WPMUKRGUSA-N 318.461 3.296 10 10 DGCE CCN(C)c1ccc(CN2CC[C@](OC)(C(F)(F)F)C2)cc1 1197326221 OUPBURBLXFIDNK-OAHLLOKOSA-N 316.367 3.296 10 10 DGCE C[C@@H](NCCOCCCO)c1ccc(N2CCCCCC2)cc1 1340992353 QSMGXMPJJKLUMD-QGZVFWFLSA-N 320.477 3.117 10 10 DGCE COc1ccc(CN[C@@H]2CCC[C@@H]2Cc2cc(C)no2)c(O)c1 1615852688 VEWZAKMUAZDKIE-CXAGYDPISA-N 316.401 3.198 10 10 DGCE C[C@H](CC(=O)NCc1c(O)cccc1F)c1ccccc1F 1471974628 IHMQQDLTKUJEJQ-LLVKDONJSA-N 305.324 3.480 10 10 DGCE C[C@H](F)CCNC(=O)N(C)Cc1ccc(N2CCCC2)cc1 1635570237 GXBNWMXYTAERPJ-AWEZNQCLSA-N 307.413 3.176 10 10 DGCE COc1ccc(O)c(CNc2csnc2Br)c1 1926859085 RKNMGCFGQGPXTP-UHFFFAOYSA-N 315.192 3.232 10 10 DGCE CN(Cc1cc(=O)c(O)co1)c1ccc(-c2nccs2)cc1 1658928316 RZZDMXCFXKNNKU-UHFFFAOYSA-N 314.366 3.105 10 10 DGCE O=C(CCSc1ccccc1F)NCc1cc(O)ccc1O 1593873740 ZDISCISODIWEDD-UHFFFAOYSA-N 321.373 3.036 10 10 DGCE CN(C[C@@H]1CCCN(CCCN=[N+]=[N-])C1)C(=O)OC(C)(C)C 1962287243 GYHDASDTGRRUNW-ZDUSSCGKSA-N 311.430 3.266 10 10 DGCE C[C@@H](N)c1ccc(N2CC[C@H]3[C@H](CCCN3C)C2)c(Cl)c1 166674870 XDJOCNJMBOCPLG-XPKDYRNWSA-N 307.869 3.280 10 10 DGCE Cc1ccc2[nH]c(=Nc3ccc([N+](=O)[O-])cc3O)sc2c1 1859857620 ANYNIAMUVBVIBY-UHFFFAOYSA-N 301.327 3.384 10 10 DGCE CC(C)(C)OC(=O)N[C@](C)(C[C@@H](N)c1ccccc1O)C1CC1 1936972630 GPDOUKGHGPMSLG-RDTXWAMCSA-N 320.433 3.476 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CCCC12CN(CCCN=[N+]=[N-])C2 1962302731 BPUWXIYKQPASGZ-LBPRGKRZSA-N 309.414 3.066 10 10 DGCE Cc1ccnc(NCCOc2ccc(N)cc2)c1Br 235932970 LSYRUEOXULJQTD-UHFFFAOYSA-N 322.206 3.226 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@@H]1CN2CCC1CC2 1963624561 MNRBEOWBUQDLKO-GFCCVEGCSA-N 315.244 3.130 10 10 DGCE CN[C@@H](c1ccsc1Cl)[C@H](O)c1ccc(N(C)C)cc1 2147432978 KYUCZEJHRUDYFP-UONOGXRCSA-N 310.850 3.462 10 10 DGCE Cc1cccc(O)c1CN[C@H]1CCN(Cc2ccccc2)[C@H]1C 1976876598 ZIASGATXYSMALK-LPHOPBHVSA-N 310.441 3.453 10 10 DGCE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NCc1c(O)cccc1F 1976860324 HIFQTMSVGNNARD-KDOFPFPSSA-N 314.404 3.141 10 10 DGCE Nc1ccc(NC(=O)NCc2cccc(Br)c2)cc1 48866717 IAFWIISWWWRNQK-UHFFFAOYSA-N 320.190 3.353 10 10 DGCE CN[C@H](C)c1ccc(N2CC=C(Br)CC2)cc1O 2031533649 WHLZRRVDUZZXFB-SNVBAGLBSA-N 311.223 3.162 10 10 DGCE CCc1c(C2=S=Nc3ccccc32)sc(C(=O)O)c1N 2159947413 ZZNGFATWZDZGSX-UHFFFAOYSA-N 304.396 3.071 10 10 DGCE CO[C@@H]1CC(F)(F)CC[C@@H]1NCc1cc(Cl)ccc1O 2162096710 ZVJPXAGETGMHBP-WCQYABFASA-N 305.752 3.338 10 10 DGCE CC[C@@H](O)c1ccc(N2CC3(CN(Cc4ccccc4)C3)C2)cc1 706212073 AJWHTPJWROPDQP-HXUWFJFHSA-N 322.452 3.452 10 10 DGCE CCCOC(=O)N(C)Cc1ccc(C)c(Br)c1O 2327796572 JOXHELYPPCSQTI-UHFFFAOYSA-N 316.195 3.442 10 10 DGCE CCOC(=O)c1cnc(Sc2nc3ccccc3[nH]2)s1 383668331 ASWWFDODVHEMSR-UHFFFAOYSA-N 305.384 3.347 10 10 DGCE Cc1c(Br)cncc1NCc1ccc(O)cc1O 722722635 QHTTWDIYKXPJQA-UHFFFAOYSA-N 309.163 3.176 10 10 DGCE C[C@@H](N)c1ccc(N2CCCOC[C@H]2C)c(Br)c1 398890552 MOUAZKFPIVTAPM-GHMZBOCLSA-N 313.239 3.084 10 10 DGCE C[C@@]1(P(C)(C)=O)CCCN1c1ccc(CN)c(F)c1F 2181671141 DADKRNHJJDWBCI-CQSZACIVSA-N 302.305 3.363 10 10 DGCE C[C@H](NCc1csc(C(F)F)n1)c1ccc(O)cc1O 2188739885 ZIZSNAGBPBDAQS-ZETCQYMHSA-N 300.330 3.343 10 10 DGCE BrC=C1CCN(c2ccc(CNC3CC3)cc2)C1 2052273524 SVVJDNRCMCBXNQ-UHFFFAOYSA-N 307.235 3.428 10 10 DGCE CNCc1ccc(N(C)Cc2ncoc2C)cc1Br 2104080757 PLLDXEZTAZSCKH-UHFFFAOYSA-N 324.222 3.101 10 10 DGCE CN(C)c1ccc([C@H](O)c2cc(N)cc(Br)c2)cc1 2106790670 KMKLJTABPNFXQM-HNNXBMFYSA-N 321.218 3.179 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@H]1NC(=O)c1ccccc1Br 2218740965 APEWCEVDQGAVOB-MNOVXSKESA-N 309.167 3.410 10 10 DGCE CN(c1ccc(CN)c(Br)c1F)[C@H]1C[C@@H]2C[C@@H]2C1 2222648091 GQYWDIBUIUKFMT-JGPRNRPPSA-N 313.214 3.282 10 10 DGCE COc1ccc(N(C)Cc2cc(Br)co2)c(C=O)c1 2227705223 YKRSSRRQUJUYCO-UHFFFAOYSA-N 324.174 3.500 10 10 DGCE COc1ccc(N2CC[C@@H](N)C[C@H]2C(F)(F)F)cc1Cl 2281011304 FNUZRKDEXXVFDS-PELKAZGASA-N 308.731 3.207 10 10 DGCE CC(F)(F)c1ncc(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)s1 2289271816 BCXBFXHVSHXBGR-SSDOTTSWSA-N 301.322 3.027 10 10 DGCE O=C1NC(=S)SC1=Cc1cc(Cl)c2ccccc2n1 2297482278 WSOVWILBYGJLMV-UHFFFAOYSA-N 306.799 3.377 10 10 DGCE CCOC(=O)[C@H]1CCCN(N=Nc2ccc([N+](=O)[O-])c(C)c2)C1 2330246607 OALOZBXMPRQWIK-LBPRGKRZSA-N 320.349 3.177 10 10 DGCE CCCCOc1ccc(C=C2C(=O)N(CC)N=C2C)cc1OC 2332125584 ROQMSACCJKEVKX-UHFFFAOYSA-N 316.401 3.496 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)C(=O)n1cc(N)c2ccccc21 170027651 JVGGWIABKDDTOZ-LLVKDONJSA-N 310.353 3.154 10 10 DGCE CCc1cc(C(=O)NCc2cccc(OC)c2O)oc1CC 119647300 NXRFTBTUOBVMOP-UHFFFAOYSA-N 303.358 3.049 10 10 DGCE COc1cccc(F)c1[C@@H](C)NC(=O)c1ccc(C)c(O)c1O 179520377 LWFUIGOIJSJQKK-SNVBAGLBSA-N 319.332 3.045 10 10 DGCE COc1ccc(N(C)C[C@H](O)c2ccc(F)c(F)c2)cc1F 121724230 XLTDIBZEGUGQLC-HNNXBMFYSA-N 311.303 3.282 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c[nH]nc1C1CC1 184329974 JXLFQDOREFGCFO-UHFFFAOYSA-N 312.417 3.015 10 10 DGCE Cc1cc(O)c(CN2CCn3c(C(C)C)nnc3[C@H]2C)cc1C 190227150 QRZAZSGGHHBTAP-CQSZACIVSA-N 314.433 3.301 10 10 DGCE CSc1ncc(CN[C@]2(C(=O)O)CCCC(C)(C)C2)s1 2371819123 ILNAWNVNNXOLRR-CQSZACIVSA-N 314.476 3.378 10 10 DGCE Cc1cnc(NCCc2ccc(N)cc2)c(Br)c1 97845515 MVHZLCIWLVJJCX-UHFFFAOYSA-N 306.207 3.389 10 10 DGCE CC(=O)N(C(=O)OCCc1ccccc1C)c1ccc(N)cc1 243263259 KUHWXFCZNQSGRH-UHFFFAOYSA-N 312.369 3.309 10 10 DGCE CCOCc1nc([C@H](C)N[C@H](CC)c2ccccc2O)no1 290140798 KQIUWMQZFADWPY-WCQYABFASA-N 305.378 3.114 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)Cc1cnn2c1CCC2 824565977 ADUQVWGFEIOEDN-UHFFFAOYSA-N 312.461 3.306 10 10 DGCE CC[C@@H]1CC[C@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)C1 823446877 UNDYRKMSQNMQRA-NWDGAFQWSA-N 302.378 3.500 10 10 DGCE c1cc(N2CCCCC2)ccc1CN[C@H]1CO[C@@H](C2CC2)C1 825167642 OEKNSFYMDOZOLX-IEBWSBKVSA-N 300.446 3.334 10 10 DGCE NCc1ccc(N2CCS[C@@H](C(F)(F)F)C2)c(Cl)c1 721388705 JUDCLZZGEFCSAI-LLVKDONJSA-N 310.772 3.283 10 10 DGCE C[C@@H](NC(=O)/C=C\C1(C)CCOCC1)c1ccc(N(C)C)cc1 829818693 ZWWNEKGCCWBHLY-FJVVXJACSA-N 316.445 3.303 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC1C[C@@H]2C[C@H]2C1 823693561 OMOHSPNLHAHCMP-BPUTZDHNSA-N 315.461 3.090 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCC[C@H](c3ccnn3C)C2)cc1 835024878 AHSGZNBZIYEMFR-JXTAAOLFSA-N 324.472 3.379 10 10 DGCE CN(C)c1ccc(/C=C\CNCc2nccn2C(F)F)cc1 835037492 QCRKNPGYIZTVRD-ARJAWSKDSA-N 306.360 3.147 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCC[C@H](N(C)C)CC2)cc1 835049259 PIUQKFIJCGGTAM-YEODSOHDSA-N 301.478 3.182 10 10 DGCE COC(=O)/C=C\c1ccc(CN2CCc3cc(OC)ccc32)o1 848876409 IMJUHTSQCUDJNH-VURMDHGXSA-N 313.353 3.037 10 10 DGCE Cc1cc(Cl)cc(CN2CCC[C@H]([C@H]3CCCN3)C2)c1O 843046036 SVEAFAOLWJJPQA-XJKSGUPXSA-N 308.853 3.318 10 10 DGCE Cc1csc(C2(NC(=O)Nc3ccc(N)cc3)CCC2)n1 841299565 IXYGBDCZUOTPJU-UHFFFAOYSA-N 302.403 3.235 10 10 DGCE CN1CCCc2cc([C@H]3NC(=O)c4ccc(F)cc4N3)ccc21 748095296 AAGKGQSUMKFJPQ-QGZVFWFLSA-N 311.360 3.062 10 10 DGCE FC(F)(F)[C@H](C[C@H]1CCCO1)NCc1ccc2c(c1)CCO2 848573855 KLEPEIODGUBHMR-HIFRSBDPSA-N 315.335 3.211 10 10 DGCE CCc1[nH]nc(Cl)c1CNCc1ccc(N(C)C)c(F)c1 921623464 LLWZQZVBPCSYLH-UHFFFAOYSA-N 310.804 3.120 10 10 DGCE Cc1cc(N(C)C)ccc1CN1CC(=O)N(C)c2ccccc2C1 857879569 JBRLBRSHBIWVQH-UHFFFAOYSA-N 323.440 3.040 10 10 DGCE CCOCCCNC(=O)Cc1cc(C)n(-c2ccccc2)c1C 854178750 SGASDIQHTXTVIO-UHFFFAOYSA-N 314.429 3.179 10 10 DGCE CN(C)c1ccc(CN(CCO[C@@H]2CC2(F)F)C2CC2)cc1 851732005 GIXWGZPNZLYUKY-MRXNPFEDSA-N 310.388 3.141 10 10 DGCE Cc1ccccc1OCCNC(=O)N[C@@H](C)c1ccccc1O 868125735 HMGKDJGFLXPRFA-AWEZNQCLSA-N 314.385 3.140 10 10 DGCE CC1(C)CO[C@H](CC(=O)NCc2ccc(N3CCCC3)cc2)C1 895711376 QCPPRKFSZRMBRV-QGZVFWFLSA-N 316.445 3.108 10 10 DGCE Cc1ccc(O)c([C@H](C)NCCCNC(=O)OC(C)(C)C)c1 185340485 JFAKPOMXZHZKFD-ZDUSSCGKSA-N 308.422 3.266 10 10 DGCE COc1ccc(CNCCCCNC(=O)OC(C)(C)C)cc1C 397854413 LPJHOOIGYYXJIO-UHFFFAOYSA-N 322.449 3.398 10 10 DGCE CCOc1ccc(N(CC)Cc2ccc(C(=O)OC)cn2)cc1 795945492 QMXCEYTUJMEEPL-UHFFFAOYSA-N 314.385 3.293 10 10 DGCE CC(C)(C(=O)NCc1ccc(O)cc1O)c1cccc(Cl)c1 1162278286 GIXPANBWMPJUKQ-UHFFFAOYSA-N 319.788 3.345 10 10 DGCE Cc1cc(C(=O)NCc2c(O)ccc3ccccc23)cc(C)n1 1179032873 PQCKVBFYZVRBBC-UHFFFAOYSA-N 306.365 3.487 10 10 DGCE O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1Cc2cccc(O)c2C1 1175029757 LLWMIJBJVDDTBV-UHFFFAOYSA-N 324.292 3.203 10 10 DGCE CC[C@@H]1C[C@H]1C(=O)NCC[C@@H](C)NCc1ccc(OC)c(C)c1 1266175177 GBSLEKWHDHERLN-DJIMGWMZSA-N 318.461 3.034 10 10 DGCE CN(C)c1ccc(CNC(=O)c2ccc3cnccc3c2)cc1 1353502582 AGBWFGUQIBHOEZ-UHFFFAOYSA-N 305.381 3.231 10 10 DGCE O=C(O)C=Cc1ccc(N2CCC=C(Br)C2)cc1 1911904714 ZYRPEYARFHEDBA-UHFFFAOYSA-N 308.175 3.273 10 10 DGCE CCOC(=O)[C@@H](NCCCN=[N+]=[N-])c1ccc(Cl)s1 1912181368 NIIIMLOHBWNENB-JTQLQIEISA-N 302.787 3.296 10 10 DGCE CC[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(F)(F)F 1616828189 UEFZSMFBWPFWFO-NSHDSACASA-N 319.304 3.383 10 10 DGCE CCc1ccc(C(=O)NCc2ccc(N(C)C)cc2C)c(O)c1 1617047744 RHTODLOJSVDLHN-UHFFFAOYSA-N 312.413 3.259 10 10 DGCE COC(=O)/C=C\c1ccc(N(C)C[C@@H]2CC2(C)C)c([N+](=O)[O-])c1 1612651460 ZKKMOQKLHXSHOR-WOLRVDTOSA-N 318.373 3.263 10 10 DGCE CC[C@@H](O)CCNC(=O)c1cc(C)ccc1-n1c(C)ccc1C 1566287844 UFCQKMHFKSMQEZ-MRXNPFEDSA-N 314.429 3.293 10 10 DGCE Cc1ccnc(CN(C)c2ccc(CN)cc2)c1Br 1927029004 UPSBTXYVKCXBLL-UHFFFAOYSA-N 320.234 3.248 10 10 DGCE COc1ccc(C(=O)NCc2cccc(Cl)c2O)cc1F 1653563849 PUOACUQCKOEAHB-UHFFFAOYSA-N 309.724 3.123 10 10 DGCE C[C@H]1C[C@@H](C)N(c2ccc(CN)c(Br)c2F)C1 231840770 GSYVEGXPPABATQ-DTWKUNHWSA-N 301.203 3.282 10 10 DGCE CC/C=C(/C)C(=O)NCC1(NCc2ccc(OC)c(C)c2)CC1 1699647738 SPNCTLBLUZRUFS-NSIKDUERSA-N 316.445 3.098 10 10 DGCE CC(C)OC(=O)c1cccc(NN=NCCCn2ccnc2)c1 1860495808 RSLPSAGCRMSHAK-UHFFFAOYSA-N 315.377 3.318 10 10 DGCE CCCN1N=C(c2ccc(OC)cc2)/C(=C\c2cccnc2)C1=O 1865672711 HPMLNRCDCCXMSY-SFQUDFHCSA-N 321.380 3.130 10 10 DGCE CCN(CCCN=[N+]=[N-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1962303205 FXOYDIKBRDVCQB-CYBMUJFWSA-N 311.430 3.408 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CCS[C@@H]3CC[C@@H]32)c1O 1966469159 BPBWXXXRJTWHBN-UONOGXRCSA-N 311.834 3.328 10 10 DGCE CC1(C)CCN(Cc2ccc(Br)cc2O)CCO1 1967845100 MFTDKAVVCRYFFV-UHFFFAOYSA-N 314.223 3.156 10 10 DGCE C[C@@H](CCNC(=O)OC(C)(C)C)[C@H](O)c1ccc(N(C)C)cc1 1977957525 GHQUUAJYMJBYKW-BBRMVZONSA-N 322.449 3.337 10 10 DGCE CC(C)(C)OC(=O)N[C@@]12CCC[C@H]1CN(CCCCN=[N+]=[N-])C2 1992180071 WISRYJVTGYTNHJ-XJKSGUPXSA-N 323.441 3.456 10 10 DGCE CN(CC(C)(C)CNCc1ccc(N)cc1)C(=O)OC(C)(C)C 1993807027 MHYZPLMWHVYHEB-UHFFFAOYSA-N 321.465 3.252 10 10 DGCE COCCNCc1ccc(N(C)CCC(F)F)cc1Cl 2152980824 DMMSFNZEWGQGFM-UHFFFAOYSA-N 306.784 3.167 10 10 DGCE CCCN[C@](C)(CCCSc1nccs1)C(=O)OCC 45596116 KVWCLMNDHFIIFH-CQSZACIVSA-N 316.492 3.337 10 10 DGCE CN(Cc1ccc(N)cc1)Cc1cc(Br)sn1 2024824591 PNJQWZSBJQQBSX-UHFFFAOYSA-N 312.236 3.120 10 10 DGCE CN(C[C@@H]1CCCS1)c1ccc(CN)cc1C(F)(F)F 718228680 AOAPVMCLZBQZMB-NSHDSACASA-N 304.381 3.496 10 10 DGCE OCc1cc(-c2ccccc2)nn1Cc1cc(Cl)ccc1O 2070173592 NFFPCBFGZOFWBB-UHFFFAOYSA-N 314.772 3.450 10 10 DGCE CNCc1cc(C(C)C)nn1[C@@H](C)c1c(O)cccc1OC 2070175919 ZGWOHSYHDZDYKM-LBPRGKRZSA-N 303.406 3.049 10 10 DGCE CN(C[C@@H]1C[C@@H]1C(F)F)c1ccc(CO)cc1Br 2041776262 RRSQDGNTFRUXHJ-UWVGGRQHSA-N 320.177 3.279 10 10 DGCE C[C@@H](O)c1ccc(N(C)Cc2cnco2)cc1Br 2043640708 UVXLBHWYHXQJIV-SECBINFHSA-N 311.179 3.127 10 10 DGCE COC[C@@]1(C)CCN1c1ccc([C@@H](C)O)c(Br)c1 2055909082 FLMLVISVUYBTEF-QMTHXVAHSA-N 314.223 3.118 10 10 DGCE Oc1c(Br)cccc1CNCCSC(F)F 2210130449 AHAXJZDVYKLQKY-UHFFFAOYSA-N 312.179 3.200 10 10 DGCE COc1ccc(Br)c(CN[C@@H]2CCC2(C)C)c1O 2220463192 XTBAUBFWYMSKOB-GFCCVEGCSA-N 314.223 3.442 10 10 DGCE C[C@H](N)c1ccc(N2CC(OC(F)(F)CF)C2)c(Cl)c1 2237636480 DCKLTMXYPPWTFJ-QMMMGPOBSA-N 308.731 3.127 10 10 DGCE CSc1ncc(CNCc2nc(C3CCCC3)no2)s1 2284630993 SJUCASQBRFNBOZ-UHFFFAOYSA-N 310.448 3.195 10 10 DGCE CC[C@@H](NC[C@@H]1C[C@H]1NC(=O)OC(C)(C)C)c1ccccc1O 2296639649 FQXYPOQJOFWXTQ-NWANDNLSSA-N 320.433 3.346 10 10 DGCE CC(C)N1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S 2296657732 LWTTXPPYGCVQRQ-UHFFFAOYSA-N 307.396 3.025 10 10 DGCE C[C@H](O)c1ccc(N(C)CCC[C@@H](C)O)c(Br)c1 2314572714 BSGYVIQKTXHAJD-MNOVXSKESA-N 316.239 3.100 10 10 DGCE Cc1cccc(CSC[C@@H](O)COc2ccc(N)cc2)c1 54965385 LFBWFLCQMPHSTO-INIZCTEOSA-N 303.427 3.250 10 10 DGCE CSC1=NC(=O)/C(=C\c2ccccc2-n2cccn2)S1 33336341 IGNJNTFJFYEJLP-FMIVXFBMSA-N 301.396 3.206 10 10 DGCE CC[C@H](N[C@H]1CCc2nnc(C(C)C)n2C1)c1ccccc1O 186325507 WKMKCIISZPDSAJ-ZFWWWQNUSA-N 314.433 3.163 10 10 DGCE C[C@H](N[C@@H](Cc1ccccc1)CN(C)C)c1ccc(F)cc1O 185091519 MKDPNEWOXUGGIG-YOEHRIQHSA-N 316.420 3.355 10 10 DGCE COc1ccc(CN2CCSC[C@@H]2c2nccs2)c(O)c1 186652089 ALHONXHMZJIYNR-CYBMUJFWSA-N 322.455 3.147 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@]2(CC=CCC2)C1 180782568 ARYXHEQSLOZRDW-ZLQZBKBYSA-N 313.397 3.460 10 10 DGCE C[C@H](N)c1ccc(N(C)CCCCCO)c(Br)c1 227073434 GKXCTMKVQNFILU-NSHDSACASA-N 315.255 3.068 10 10 DGCE CCNCc1ccc(OC)c(C[S@](=O)C2CCCCC2)c1 84041467 XQVQVBSTSLICSX-OAQYLSRUSA-N 309.475 3.386 10 10 DGCE CCN(CC)c1ccc(CNC(=O)N2C[C@H]3CC[C@H]2C3)cc1 193775012 YTYWIXLYNQZCFX-RDJZCZTQSA-N 301.434 3.227 10 10 DGCE COc1cccc(CNCc2ncc(C(F)F)s2)c1O 2369610806 NYNPAMQJPRTUPA-UHFFFAOYSA-N 300.330 3.085 10 10 DGCE NCc1cc(F)c(N2CC[C@@H](OCc3ccccc3)C2)c(F)c1 383908680 UJMJCHUCNCJBQE-OAHLLOKOSA-N 318.367 3.219 10 10 DGCE C[C@H](N[C@H]1CCc2nc[nH]c2C1)c1ccc2ccccc2c1O 368098638 CFXMXNDSBGWIHQ-JSGCOSHPSA-N 307.397 3.477 10 10 DGCE CC[C@H](N[C@@H](CC)[C@@H](O)C(F)F)c1ccc(N(C)C)cc1 296316682 GQEPLYPCYNMDDD-SOUVJXGZSA-N 300.393 3.198 10 10 DGCE CC(=O)C(=O)COC(=O)CCCc1cc(Cl)sc1Cl 808526057 KIQLOABHWJPXBI-UHFFFAOYSA-N 323.197 3.079 10 10 DGCE O=C(NCc1cc(Br)ccc1O)[C@@H]1CC[C@@H]2C[C@H]2C1 817601546 ARAYBIWGXUPFMZ-MXWKQRLJSA-N 324.218 3.207 10 10 DGCE c1cc(NCc2ccc(N3CCOCC3)cc2)nc(C2CC2)c1 815144056 SLDDWVQUYPWJSI-UHFFFAOYSA-N 309.413 3.408 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNCc1cc2n(n1)CCC2 825940411 WLSUXPLHWUBNRY-UHFFFAOYSA-N 312.200 3.132 10 10 DGCE CCN(CC)c1ccc(CN2CC[C@@]3(CCCNC3)C2)cc1 843117388 PCQQJIAXSKEFPG-LJQANCHMSA-N 301.478 3.108 10 10 DGCE CCOc1ccc(O)c(CN[C@@H](C2CCOCC2)C2CC2)c1 846042767 PIKOAFFOQASHNC-GOSISDBHSA-N 305.418 3.086 10 10 DGCE Cc1ccc([C@@H](C)NCC[C@H](N(C)C)C(F)(F)F)c(O)c1 926959027 AINKUILQSXSWPW-RISCZKNCSA-N 304.356 3.234 10 10 DGCE O=C(NCc1c(O)cccc1F)C12CC3CC(CC(C3)C1)C2 928707818 CIBUFKDJZXUNEZ-UHFFFAOYSA-N 303.377 3.364 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NCc1cn(C)nc1Cl 856790504 BZLNJHYLVYFTLA-CYBMUJFWSA-N 320.868 3.169 10 10 DGCE CC(C)N(CCN1CCCCCC1)C(=O)c1cc(O)cs1 854455472 UCOABTRDWWTMKR-UHFFFAOYSA-N 310.463 3.180 10 10 DGCE CC(C)C1CC(NCc2ccc(N3CCC(O)CC3)cc2)C1 850568040 OEZZVPHRSAIKCW-UHFFFAOYSA-N 302.462 3.172 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)C[C@H]3CC[C@@H](C)C3)C2)cc1 855233998 QKBXQBKMPHHQGH-PMPSAXMXSA-N 316.445 3.216 10 10 DGCE COc1ccc(/C=C2\SC(=S)N(C)C2=O)cc1OC1CC1 864355795 KPHKEPYRDZUVOE-JYRVWZFOSA-N 321.423 3.067 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2ccn(C3CCCCC3)n2)c1 862756199 SRAHMNOEGLRXPY-UHFFFAOYSA-N 313.401 3.332 10 10 DGCE CS[C@H]1C[C@H](NC(=O)c2cc(C)n(-c3ccccn3)c2C)C1 871093457 CWHIVLFQCJZMLY-HDJSIYSDSA-N 315.442 3.113 10 10 DGCE CCN(C)c1ccc(CN2CCOC[C@@H]2c2ccco2)cc1 773750636 DPNTULXHNCLXJL-QGZVFWFLSA-N 300.402 3.309 10 10 DGCE Cc1cc(N[C@@H](C)c2ccc(F)cc2O)cc(OCCO)c1 774508617 KSONSQSLTWJCPH-LBPRGKRZSA-N 305.349 3.384 10 10 DGCE C[C@H]1[C@@H](C)O[C@H](C)CN1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 782623514 YKFUZKZFYZCFGS-APIJFGDWSA-N 319.449 3.021 10 10 DGCE CCN(Cc1cc(Cl)cc(Cl)c1O)C[C@@H](C)C(=O)O 86761816 NRESZPCYRBANRB-MRVPVSSYSA-N 306.189 3.242 10 10 DGCE c1ccc(CCNC[C@H]2CCN(c3ccc4c(c3)OCO4)C2)cc1 76439862 SMOVQURYYFCAJI-QGZVFWFLSA-N 324.424 3.074 10 10 DGCE COc1ccc(-n2c(C)cc(C(=O)N3CC(C)(F)C3)c2C)cc1 792524656 ZDZOYVMPZUDKKC-UHFFFAOYSA-N 316.376 3.287 10 10 DGCE CC(C)(C)OCCNCc1cc(Br)cc(F)c1O 715759513 OBNLCCVMHCCMOI-UHFFFAOYSA-N 320.202 3.199 10 10 DGCE C[C@H]1CN(C(=O)OC(C)(C)C)CCCN1c1ccc(N)cc1 1959560689 NAHHFCKNPPTRAF-ZDUSSCGKSA-N 305.422 3.105 10 10 DGCE O=[N+]([O-])c1cc(Cl)cc(CN[C@@H]2C[C@H]3[C@@H](C2)C3(F)F)c1O 1347355400 DFLNJURSLYAMDU-ILWJIGKKSA-N 318.707 3.087 10 10 DGCE O=C(O)C=Cc1ccc(N2CC[C@@H]3C[C@H]3C2)c(Br)c1 1912037473 IDCKPLFFUUCXAD-NEPJUHHUSA-N 322.202 3.393 10 10 DGCE CN(CCCN=[N+]=[N-])C(=O)c1cc(Cl)cc(Cl)c1O 1912161260 HHRUPARTDGKWIW-UHFFFAOYSA-N 303.149 3.471 10 10 DGCE C[C@H](N)c1ccc(N(C)CCOC2CC2)c(Br)c1 1914552674 WATWSZQTHQTCME-JTQLQIEISA-N 313.239 3.084 10 10 DGCE Cc1cccc(N(C)C(=O)c2cc3cc(O)c(O)cc3s2)n1 1444608969 MQXRCLGWTIRBOX-UHFFFAOYSA-N 314.366 3.293 10 10 DGCE Cc1conc1C(=O)N(Cc1ccco1)Cc1ccccc1O 1294671826 LVFDGMRYWILJTN-UHFFFAOYSA-N 312.325 3.124 10 10 DGCE CCOc1ccccc1C(=O)NCc1ccc2cccnc2c1O 1557123485 PIVUAVCOXCHKHG-UHFFFAOYSA-N 322.364 3.269 10 10 DGCE C[C@@H](NC(=O)c1ncccc1-c1ccccn1)c1ccccc1O 1632250568 WNKFPDSCNOQQSN-CYBMUJFWSA-N 319.364 3.340 10 10 DGCE C[C@H](C(=O)NCc1c(O)cccc1O)c1ccc(Cl)cc1 1647289938 MASMGFFIAOHZIJ-JTQLQIEISA-N 305.761 3.171 10 10 DGCE O=C(O)CN(Cc1ccccc1)Cc1ccc(Cl)cc1O 1928559494 YFSVMIBOLJRPMK-UHFFFAOYSA-N 305.761 3.132 10 10 DGCE CSc1cc(C)ccc1CNC(=O)Cc1ccc(N)cc1 161928756 SFSBHIDBSZIOON-UHFFFAOYSA-N 300.427 3.158 10 10 DGCE C[C@H](N[C@H](C)CC1CC1)c1ccc(N2CCC(O)CC2)cc1 164279007 PDGASQYPRLIYFD-CABCVRRESA-N 302.462 3.487 10 10 DGCE CC1CCN(c2ccc(CNC(=O)[C@]3(C)CCCO3)cc2)CC1 153135312 GCHGNKPSLGLQKJ-IBGZPJMESA-N 316.445 3.108 10 10 DGCE Cc1cc(C)c2[nH]c(=Nc3ccc(C(=O)O)cc3O)sc2c1 1859858233 IIGDSDXNVDJOQT-UHFFFAOYSA-N 314.366 3.482 10 10 DGCE CN[C@H](c1ccccc1O)[C@@H]1CC[C@@H]1CNC(=O)OC(C)(C)C 1940089054 YOFXPGDYJZMFGC-IOASZLSFSA-N 320.433 3.204 10 10 DGCE CN(C)c1ccc(CNCC(=O)Nc2cccc(Cl)c2)cc1 1857855255 YMOIVEAJJYLUPX-UHFFFAOYSA-N 317.820 3.134 10 10 DGCE C[C@H](NCc1c(O)cccc1Br)[C@@H]1CC1(F)F 1942438625 HISOGCNPWJUTOF-CBAPKCEASA-N 306.150 3.288 10 10 DGCE CN(CC1CCN(CCCN=[N+]=[N-])CC1)C(=O)OC(C)(C)C 1962288170 SJRDPSGRCLHBBA-UHFFFAOYSA-N 311.430 3.266 10 10 DGCE COc1ccc(CN[C@@]23C[C@H]2CN(Cc2ccccc2)C3)cc1C 1950089218 FHDOXAZBTFAKHR-PZJWPPBQSA-N 322.452 3.368 10 10 DGCE C[C@@H]1CCN(c2ccc(N)cc2)C[C@@H]1CNC(=O)OC(C)(C)C 1977966993 AXOJSELFLIPNIM-KGLIPLIRSA-N 319.449 3.256 10 10 DGCE CCN1CCc2cc([C@@H](O)CCNCc3ccccc3)ccc21 1977960621 WBGOSMYBYBGCCB-FQEVSTJZSA-N 310.441 3.282 10 10 DGCE CC(C)(C)OC(=O)NC[C@H](O)c1ccc(N2CCCCC2)cc1 1977933836 HIHYBNZASWLBFG-INIZCTEOSA-N 320.433 3.235 10 10 DGCE Nc1ccc(CNC(=O)c2cccc(F)c2Br)cc1 155669598 MCGPEIVCPVVGET-UHFFFAOYSA-N 323.165 3.100 10 10 DGCE CC(C)(C)OC(=O)N1CC2(CCN(CCCCN=[N+]=[N-])CC2)C1 1982246574 WWEGIFMVZAEZEM-UHFFFAOYSA-N 323.441 3.410 10 10 DGCE Cc1c(CN(Cc2ccccc2)C2CNC2)n(C)c2ccccc12 1997641622 SNSSZZXMBZLTKZ-UHFFFAOYSA-N 319.452 3.461 10 10 DGCE CN1CCc2cc([C@@]3(O)CCCN(Cc4ccccc4)C3)ccc21 1999511820 JAYFMJIKWMCMHM-OAQYLSRUSA-N 322.452 3.163 10 10 DGCE CN(CCCCC(=O)O)Cc1cc(Cl)cc(Cl)c1O 719353697 DULCLIWCHFBPJM-UHFFFAOYSA-N 306.189 3.386 10 10 DGCE CCN(c1ccc(CN)cc1C(F)(F)F)[C@H]1CCSC1 2170129288 FMLIIWNUDHLHQU-NSHDSACASA-N 304.381 3.496 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCC(C2CNC2)CC1 2176940522 NNXSMURUEFSOJH-UHFFFAOYSA-N 315.244 3.130 10 10 DGCE CN(c1cc(Br)c(CN)cc1F)[C@H]1CCC[C@@H]1F 2055388288 KUFPVIPZJDCPBS-JQWIXIFHSA-N 319.193 3.374 10 10 DGCE CN[C@H]1CCc2cc(N3CCC=C(Br)C3)ccc21 2065071861 ONVBFKVMCBMLLS-HNNXBMFYSA-N 307.235 3.382 10 10 DGCE C[C@@H](N)c1ccc(N2CC3(CC=CCO3)C2)cc1Br 2094985431 PSGQKGKUYWSVIM-LLVKDONJSA-N 323.234 3.004 10 10 DGCE CCN[C@@]1(CO)C[C@@H](Sc2nccs2)CCC1(C)C 2099188765 LTJFYZGMYOMKMV-SMDDNHRTSA-N 300.493 3.155 10 10 DGCE CC[C@@H](O)CN(Cc1ccccc1)c1ccc2c(c1)CCN2C 2210908379 ACJVONHZDVPFKQ-LJQANCHMSA-N 310.441 3.456 10 10 DGCE C[C@H](N)c1ccc(N(C)C[C@H](F)[C@@H]2CCOC2)c(Cl)c1 2238325162 YGJUVXKVHXTKFH-SUHUHFCYSA-N 300.805 3.171 10 10 DGCE CCc1nn(C)c(CNCc2c(O)cccc2Cl)c1Cl 2240976763 RKRWTCZRBVUPGD-UHFFFAOYSA-N 314.216 3.285 10 10 DGCE C[C@@H](CCNCc1ccc(N)cc1)CCNC(=O)OC(C)(C)C 2243690788 AIJGYAPFPSZTFW-AWEZNQCLSA-N 321.465 3.299 10 10 DGCE CCCC1=NN(c2ccccc2)C(=O)C1=C(C)NCCCOC 2294474416 RHPSSPBZTKFZJD-UHFFFAOYSA-N 315.417 3.089 10 10 DGCE Cc1scc(C(=O)N2CC[C@H](N=[N+]=[N-])C2)c1Br 2303639971 UJUHANBOKJIFGW-ZETCQYMHSA-N 315.196 3.344 10 10 DGCE CO[C@@]1(C)CCN(Cc2ccc(C)c(Br)c2O)C1 2327796454 HQTGYDWWYUHOHL-AWEZNQCLSA-N 314.223 3.074 10 10 DGCE Cc1cncc(NCc2ccc(C)c(Br)c2O)n1 2327594996 CSPWDCTZDXTBLV-UHFFFAOYSA-N 308.179 3.174 10 10 DGCE Oc1ccccc1CNCc1ccccc1Oc1cnccn1 171132218 NJKVFMWUIVASCF-UHFFFAOYSA-N 307.353 3.264 10 10 DGCE COc1cccc(CN2C[C@@H]3CCC(=O)c4cccc2c43)c1O 185628854 FHZLCAISAMBDII-LBPRGKRZSA-N 309.365 3.481 10 10 DGCE C[C@H](CCN[C@H](C)c1ccc(O)cc1O)NC(=O)OC(C)(C)C 227670237 FFUDPZPLOCEIAN-VXGBXAGGSA-N 324.421 3.052 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@@H](CN(C)C)c2ccccc2)c1 192926348 XBKBTUVMBKVSJN-KSSFIOAISA-N 314.429 3.354 10 10 DGCE CC[C@@H]1OCC[C@H]1CNCc1cccc(Br)c1O 233922101 ROMZVYUEMZEFAN-GWCFXTLKSA-N 314.223 3.059 10 10 DGCE CCN(Cc1ccc(N)cc1)[C@@H]1CCO[C@]2(CCSC2)C1 94379265 PGGSEMZIWJBSRA-IAGOWNOFSA-N 306.475 3.145 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2C(=O)CC1(C)CCCC1 342365522 ZURGLHYZJZDLIV-UHFFFAOYSA-N 302.418 3.448 10 10 DGCE C[C@H]1CN(Cc2cc(F)ccc2O)C[C@@H](CC(F)(F)F)O1 827787109 MIOJUKQUNMDJQU-JOYOIKCWSA-N 307.287 3.073 10 10 DGCE Cc1ccc(/C=C\C(=O)NCc2ccc(O)c(O)c2)cc1Cl 588401096 AAHBEHHVENZPTC-ALCCZGGFSA-N 317.772 3.389 10 10 DGCE Cc1cc(CC(=O)N[C@@H](C)c2cn[nH]c2)c(C)n1-c1ccccc1 831231093 CGOICIIZPZMSAB-AWEZNQCLSA-N 322.412 3.237 10 10 DGCE COc1cc(N(C)C[C@@H]2CC2(Cl)Cl)cc(OC)c1OC 741805324 GESKBMDRJPTAMF-VIFPVBQESA-N 320.216 3.342 10 10 DGCE C[C@@H](NC[C@]1(CO)CCc2ccccc21)c1ccc(F)cc1O 846177317 AAKDTNCQUSDXOZ-YJYMSZOUSA-N 315.388 3.058 10 10 DGCE Cc1cc(CN(Cc2ccc(N(C)C)cc2)C2CC2)c(C)nn1 929293963 AQQPGCSWSXWHMJ-UHFFFAOYSA-N 310.445 3.324 10 10 DGCE C[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@@H](CC(F)(F)F)O1 852741118 FPWMMPDSKIOZMH-IUODEOHRSA-N 316.367 3.294 10 10 DGCE CN1CCN(c2ccc(CNC(C)(C)/C=C\Cl)cc2)CC1 922649176 ULDUFTZSYVHSRV-HJWRWDBZSA-N 307.869 3.059 10 10 DGCE CN(C)c1ccc(CNC(=O)NCC(F)(F)C(C)(C)C)cc1 852691235 YFCRONKFXJTOOP-UHFFFAOYSA-N 313.392 3.233 10 10 DGCE C[C@@H](N[C@H]1C(=O)N(C)Cc2ccccc21)c1ccc(N(C)C)cc1 857874302 OECSNBHJEDJCEJ-AUUYWEPGSA-N 323.440 3.117 10 10 DGCE Oc1cccc(Br)c1CNC1CC2(C1)CC2(F)F 1348099013 PXBNMDYQWATORP-UHFFFAOYSA-N 318.161 3.432 10 10 DGCE CN(C)c1cc(F)c(CN2CC[C@]3(CCCOC3)C2)cc1F 862359289 HZZGSBFIGKCZAF-QGZVFWFLSA-N 310.388 3.033 10 10 DGCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC2C[C@H]3C[C@@H]3C2)c1 862044723 NOWOMZKZVRCLRV-HZPDHXFCSA-N 322.408 3.435 10 10 DGCE C[C@H](NC[C@H]1C[C@@H]1C)c1ccc(N2CCOCC2)cc1Cl 765338075 USHYQCCZQLIYQO-MELADBBJSA-N 308.853 3.483 10 10 DGCE CN(CCCc1nc(-c2cccs2)no1)c1ccc(N)cc1 863557382 NRRYWRXOHSOJNF-UHFFFAOYSA-N 314.414 3.449 10 10 DGCE COc1cccc(O)c1CN(C)[C@@H](C)Cc1ccc(O)cc1 769390165 RBBATBHRJUIQIG-ZDUSSCGKSA-N 301.386 3.169 10 10 DGCE CCCN(CCC)c1ccc(CNC2CC(C(=O)O)C2)cc1 871882151 ZHHPGTBPFXDLHO-UHFFFAOYSA-N 304.434 3.266 10 10 DGCE CCCNC[C@H]1CCN(c2ccc(OCC)c(OCC)c2)C1 76382874 SQFAZKSIGMCNIF-OAHLLOKOSA-N 306.450 3.310 10 10 DGCE Oc1cccc(Br)c1CN[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 706875322 VHSHXMUCTPJXEX-LRQZZLGCSA-N 308.219 3.289 10 10 DGCE COc1ccc(O)c(CN[C@H]2CCc3cc(F)c(OC)cc32)c1 798929840 DFXWHWVGAKQBET-INIZCTEOSA-N 317.360 3.326 10 10 DGCE COc1ccc2c(c1)CCCCN2CC[C@H]1COC(C)(C)O1 1168245073 XWIPGXWJMIGVRA-INIZCTEOSA-N 305.418 3.380 10 10 DGCE CC[C@H](N)Cc1cnc(SCCCOC2CCC2)s1 2128299823 UUAHBSUCJFEFIX-NSHDSACASA-N 300.493 3.474 10 10 DGCE O=C(NCc1cccc(Cl)c1O)c1c(O)cccc1Cl 1180409865 HENKWZCJVULNEW-UHFFFAOYSA-N 312.152 3.335 10 10 DGCE CN(C(=O)/C=C\c1cnc2ccccc2n1)c1ccc(Cl)nc1 1436086331 CDWYZKJOJJTKSO-TWGQIWQCSA-N 324.771 3.354 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN(Cc2ccc(Br)cn2)C1 1912163367 IUEFCTAZHGABIG-JTQLQIEISA-N 310.199 3.366 10 10 DGCE CCNCc1ccc(N(Cc2ccccc2)C2COC2)c(F)c1 1915643532 LXUFKELPYFNAHA-UHFFFAOYSA-N 314.404 3.341 10 10 DGCE O=C(NC[C@@H]1C[C@@H]1Cc1ccccc1)N1Cc2cccc(O)c2C1 1521519171 PGJBZVXPJIYMGM-IRXDYDNUSA-N 322.408 3.296 10 10 DGCE Cc1csc(N(C)C(=O)c2cc3cc(O)c(O)cc3s2)n1 1464866344 CNBNZTVRFAQSEU-UHFFFAOYSA-N 320.395 3.354 10 10 DGCE COC(=O)c1ccc(OC)c(CN(C)c2ccc(OC)cc2)c1 1460337005 UGCLDZRFTYWGEF-UHFFFAOYSA-N 315.369 3.127 10 10 DGCE COC(=O)c1cc(OC[C@H]2CCC3(CCC3)O2)ccc1N(C)C 1473077562 ZPMLNXCANOZFIN-CQSZACIVSA-N 319.401 3.020 10 10 DGCE Cc1cc2c(n1-c1ncc(F)cc1Br)CCC[C@H]2N 2137801400 HEZTVEYACBGCCU-GFCCVEGCSA-N 324.197 3.418 10 10 DGCE CCCCC(=O)NC[C@H]1C[C@@H](NCc2ccc(OC)c(C)c2)C1 1565838019 XPHKESYPCOKNTJ-CALCHBBNSA-N 318.461 3.178 10 10 DGCE CCSCc1ccccc1C(=O)NCc1ccc(O)cc1O 1630302353 YTTYFOHUYXBPCO-UHFFFAOYSA-N 317.410 3.281 10 10 DGCE C[C@@H](C(=O)O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1927590254 IECGRIFELPFWOG-BXUZGUMPSA-N 322.405 3.039 10 10 DGCE CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H](NC)c1ccccc1O 1928480286 GSANMMLPHYGREJ-WFASDCNBSA-N 308.422 3.298 10 10 DGCE Cc1cc(S(=O)(=O)N(C)c2ccc(N)cc2)sc1Cl 231806087 SRFIRKAGJOILCG-UHFFFAOYSA-N 316.835 3.117 10 10 DGCE Cc1cccc(-n2c(C)cc(CNC(=O)N3CC=CC3)c2C)c1 1675114326 CHAMXCKWMJGYME-UHFFFAOYSA-N 309.413 3.484 10 10 DGCE CC[C@H](C)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(OC)c1 251372832 RANLUEKGERULLT-KKUMJFAQSA-N 306.450 3.197 10 10 DGCE C[C@@H]1CCN(c2ccc(CO)cc2Br)C[C@H]1F 1946883666 XIEQFRIQOSMFGR-BXKDBHETSA-N 302.187 3.126 10 10 DGCE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN(Cc2ccc(N)cc2)C1 1977926166 OJHOAFUYHWFNQA-BBRMVZONSA-N 319.449 3.004 10 10 DGCE CC(C)N(C[C@H](O)c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C 1977939793 SIPNXNIDCCKSLA-INIZCTEOSA-N 322.449 3.432 10 10 DGCE C[C@H]1C[C@H]1CCNCc1cc(Br)cc(F)c1O 2016815145 RTXOWUKGXSPBKP-DTWKUNHWSA-N 302.187 3.430 10 10 DGCE C[C@@H](O)c1ccc(N2CCOCC[C@H]2C)c(Br)c1 2031687899 BQSMHUMWKUHOFG-GHMZBOCLSA-N 314.223 3.118 10 10 DGCE CC(C)NCc1cc(F)c(N(C)[C@H]2CCSC2)c(F)c1 62710471 USPSWHGWTCYUSE-LBPRGKRZSA-N 300.418 3.405 10 10 DGCE Cc1ccc(O)c([C@H](C)N[C@H]2C[C@H]2NC(=O)OC(C)(C)C)c1 300212449 WRQXKUFGZYGNOR-FPMFFAJLSA-N 306.406 3.017 10 10 DGCE CC(C)N[C@]1(CO)CCC[C@@H](CSc2nccs2)C1 403201632 OWRFTYDFFLOZHR-TZMCWYRMSA-N 300.493 3.155 10 10 DGCE C[C@H]1CCN([C@@H](C)c2cc(Br)ccc2O)CCO1 720495890 NIMLHIHQEZHHIW-QWRGUYRKSA-N 314.223 3.327 10 10 DGCE CC(C)(C)c1cccc(C(=O)NCc2c(O)cc(O)cc2O)c1 2063459476 CEAHRNAPEMVEPF-UHFFFAOYSA-N 315.369 3.031 10 10 DGCE COC(=O)c1cc(-c2ccccc2)nn1Cc1c(C)cccc1O 2069860522 KCNCHXKVNVPEIL-UHFFFAOYSA-N 322.364 3.399 10 10 DGCE Cc1cc(CN(C)C)n(Cc2cccc(C(F)(F)F)c2O)n1 2070095777 BYVWYPFGCVDXQV-UHFFFAOYSA-N 313.323 3.026 10 10 DGCE Cc1cccc(Cn2nc(C(C)C)c(CO)c2C(F)F)c1O 2078999334 NSSZVBYARHULKB-UHFFFAOYSA-N 310.344 3.499 10 10 DGCE CN[C@H](C)c1ccc(N2C[C@@H](OC)C[C@H]2CF)cc1Cl 2190233479 WABFFFFBTOHFHI-WXHSDQCUSA-N 300.805 3.184 10 10 DGCE C[C@@H]1[C@H](CN(C)c2cc(Br)c(CN)cc2F)[C@@H]1C 2043303734 IJBMCJWILFMZHU-DOFRTFSJSA-N 315.230 3.385 10 10 DGCE CCNCc1ccc(N(C)[C@H]2CCOC[C@@H]2F)c(Cl)c1 2186754797 PQZSMHGCJVEMLT-ZFWWWQNUSA-N 300.805 3.013 10 10 DGCE CN[C@H](c1ccc2c(c1)CCN2C)c1ccc(Br)o1 2106855615 PYLZYUOUDNVIGA-OAHLLOKOSA-N 321.218 3.343 10 10 DGCE C[C@@H](CO)N(Cc1ccccc1)c1ccc2c(c1)OC(F)(F)O2 2210829169 IWVKXMLUKJBVJA-LBPRGKRZSA-N 321.323 3.396 10 10 DGCE COc1ccc(Br)c(CNc2cccc(O)c2)c1O 2227748290 MOLLUGZFZHXOBT-UHFFFAOYSA-N 324.174 3.481 10 10 DGCE OCc1ccc(N2CCC[C@@H](OC(F)(F)F)C2)cc1Cl 2238895564 FHRHHNLEDGDJIX-LLVKDONJSA-N 309.715 3.338 10 10 DGCE CSc1ncc(CN[C@H]2CCNC3(CCCCC3)C2)s1 2284696319 BIMHPVZYPFHELH-LBPRGKRZSA-N 311.520 3.410 10 10 DGCE COCCn1c(C)cc(C=C2C(=O)N(C)c3ccccc32)c1C 2294533180 FSFAOBPDWJXVJP-UHFFFAOYSA-N 310.397 3.268 10 10 DGCE Cc1cc(O)c([C@H](C)N2CCOC[C@H]2C(F)F)cc1Cl 2286438406 FXORIVSOJFCKTQ-CABZTGNLSA-N 305.752 3.381 10 10 DGCE O=C(/C=C\c1cnccn1)N(Cc1cscn1)c1ccccc1 491577147 SRGQJFAWMFGGBE-SREVYHEPSA-N 322.393 3.180 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)Nc1cccc2cccnc12 2307982177 RIIKAQUKEGEFQK-UHFFFAOYSA-N 306.321 3.298 10 10 DGCE CCC1=NN(c2ccc(OC)cc2)C(=O)C1=Cc1ccccn1 2332128753 ZFERODIPFOGKFI-UHFFFAOYSA-N 307.353 3.286 10 10 DGCE CCOC(=O)C(=O)[C@@H](/N=N/c1ccccc1)C(=O)c1ccccc1 100039404 NJSWQKBUHFAWBX-CVTQAYBASA-N 324.336 3.154 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)C(=O)Nc1cccc2cc[nH]c12 170026322 ULWNJCABWYXQGL-NSHDSACASA-N 310.353 3.396 10 10 DGCE COc1ccc(N2CCN(c3ccccn3)CC2)cc1Cl 71702437 BDMRBMLPNDHIIP-UHFFFAOYSA-N 303.793 3.070 10 10 DGCE COc1ccccc1[C@H](O)CN[C@@H](C)c1ccc(N(C)C)cc1 130486933 WUYWUEFUSDNYGN-KBXCAEBGSA-N 314.429 3.145 10 10 DGCE CCn1cc(C(=O)N(C)Cc2ccccc2O)c(C(C)C)n1 136941046 TTWCTLNTYJJCCC-UHFFFAOYSA-N 301.390 3.004 10 10 DGCE C[C@H](N[C@H]1C[C@@H]1NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 227562584 QYODGZFKAQALKY-RCBQFDQVSA-N 319.449 3.069 10 10 DGCE Cc1ccc(O)c([C@H](C)Nc2cccc(NS(C)(=O)=O)c2)c1 192745069 SVZVNEXJWMOOES-LBPRGKRZSA-N 320.414 3.245 10 10 DGCE CN(C)c1ccc(CN[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cc1F 246246054 SBZWRSJTBCZDBE-IAOVAPTHSA-N 306.425 3.185 10 10 DGCE COCC[C@@H]1CCCCN(Cc2cc(F)cc(C(C)=O)c2O)C1 372101315 GYHQRTMLGWGUQK-AWEZNQCLSA-N 323.408 3.373 10 10 DGCE Cc1cc(CN2C[C@H](C(F)(F)F)OC[C@H]2C)ccc1N(C)C 815116356 KFYPVJSQTMTCSA-IUODEOHRSA-N 316.367 3.213 10 10 DGCE CC[C@@H](NC1COCCOC1)c1ccc(Cl)c(Cl)c1O 813878714 FQDJOENIRHCMEU-GFCCVEGCSA-N 320.216 3.155 10 10 DGCE Cc1cncc(/C=C/C(=O)N2CCc3c(F)ccc(F)c32)c1 814425707 FWZCJAGMMSKUBJ-GORDUTHDSA-N 300.308 3.271 10 10 DGCE COc1ccc(N2CCN(C(=O)C[C@@H](C)CC(C)C)CC2)cc1 727661855 HKDWUBCMXDRSIX-INIZCTEOSA-N 318.461 3.416 10 10 DGCE C[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCCO1 906434603 SNGQVGRAXXERTH-YJBOKZPZSA-N 316.445 3.108 10 10 DGCE Cc1nc(C(C)C)sc1C(=O)NCCc1ccc(N)cc1 832652988 NJBASVRMTDKRPJ-UHFFFAOYSA-N 303.431 3.130 10 10 DGCE CC(C)(C)C1CN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 837625237 KUNRCQIVQSDGIV-UHFFFAOYSA-N 315.461 3.474 10 10 DGCE C[C@@H](NC(=O)NCc1ccccc1O)C1CCC(F)(F)CC1 847303132 USGQDPWXADRYOF-LLVKDONJSA-N 312.360 3.405 10 10 DGCE Cc1cc(O)c(CNCc2ccc3c(c2)OCCO3)c(Cl)c1 840877124 UEIRKKIJBUINFZ-UHFFFAOYSA-N 319.788 3.415 10 10 DGCE Cc1cc(O)c(CNC[C@H](O)c2cccc(F)c2)c(Cl)c1 840886462 XBKORRDAYPGVTF-INIZCTEOSA-N 309.768 3.316 10 10 DGCE CCN(CC)c1ccc(CN(C)Cc2nn(C)cc2C)cc1 929185641 WOXDYYJXJQFEPC-UHFFFAOYSA-N 300.450 3.207 10 10 DGCE Fc1cc(CN[C@@]23CCCC[C@@H]2C3)ccc1N1CCOCC1 865704555 VNTMUWHKGJJLOJ-CRAIPNDOSA-N 304.409 3.085 10 10 DGCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCCCCF)c1 861788573 HYVUUKJIQLXMHO-UHFFFAOYSA-N 316.376 3.386 10 10 DGCE COc1ccc2c(c1NC(=O)N1Cc3cccc(O)c3C1)CCC2 931067955 SXEQXTPDJMUJCS-UHFFFAOYSA-N 324.380 3.437 10 10 DGCE COc1cccc2c1CN(Cc1ccc(N3CCOCC3)cc1)C2 862528711 HKQSWJOMPCWMPS-UHFFFAOYSA-N 324.424 3.048 10 10 DGCE Cc1cc(Cl)cc(CN2CC[C@H](N3CCCCC3)C2)c1O 775676901 AHNDOYZAIBLBPJ-INIZCTEOSA-N 308.853 3.414 10 10 DGCE COc1cc(CN2CCOCC[C@H]2C)c(O)c(C(C)(C)C)c1 774660568 ORHDPNRFZNQFJO-CYBMUJFWSA-N 307.434 3.309 10 10 DGCE COc1ccc(O)c(CN[C@@H](C)COCc2ccccc2)c1 390552329 DGYMIWZQYPWHCI-AWEZNQCLSA-N 301.386 3.096 10 10 DGCE CC1(F)CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 899170358 PQOLMDYBELDJOA-UHFFFAOYSA-N 309.362 3.277 10 10 DGCE CC1(C)[C@H]2CN(C(=O)c3cc4cc(O)c(O)cc4s3)C[C@H]21 896683103 GDBYOIRCRYPFNN-AOOOYVTPSA-N 303.383 3.041 10 10 DGCE CCSC[C@@H](C)NCc1ccc(Br)cc1O 700992007 FEGZVDMRGNEZJZ-SECBINFHSA-N 304.253 3.386 10 10 DGCE C[C@H](NCc1c(O)cccc1Br)c1ccccn1 706855866 YRKHKMPENDEZFL-JTQLQIEISA-N 307.191 3.401 10 10 DGCE C[C@H](N)c1ccc(N2CCO[C@@H](C(F)(F)F)C2)cc1Cl 698813895 QEEDZCGSAAYSQA-QPUJVOFHSA-N 308.731 3.127 10 10 DGCE C[C@@H](NC(=O)c1ccc2ccc(O)cc2c1O)c1ccccc1O 1151885665 BBPFPMXDYGHPJQ-LLVKDONJSA-N 323.348 3.448 10 10 DGCE O=C(NCc1ccc(O)c(O)c1)c1cc(-c2ccccc2)ccn1 1150378985 ZKSOBFXGQIGBQM-UHFFFAOYSA-N 320.348 3.090 10 10 DGCE COC(=O)C(C)(C)CSc1ncc(-c2ccccc2)n1C 1165274570 DKMNHVCZOSKWHL-UHFFFAOYSA-N 304.415 3.378 10 10 DGCE CC(C)(C)OC(=O)NCCN(CC1CC1)c1ccc(N)cc1 1959568874 BMAOBDYMXNVEJM-UHFFFAOYSA-N 305.422 3.010 10 10 DGCE O=C(O)c1ccc(Sc2nccs2)nc1C(F)(F)F 2122170131 HDYJJAWKJKJCJT-UHFFFAOYSA-N 306.290 3.406 10 10 DGCE Oc1ccc(Br)cc1CN1[C@H]2CC[C@H]1[C@H]1CC[C@@H]2O1 1901308901 IJJNFAMMSHVMRV-NZBPQXDJSA-N 324.218 3.049 10 10 DGCE C/C(=C\c1cccnc1)C(=O)N1C[C@@H](CCN)Cc2ccccc21 1341253818 ALTNLRPSYGHNGB-JMPLCFMRSA-N 321.424 3.039 10 10 DGCE O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1ccsn1 1457413033 WPPCLVIKGGXQPV-UHFFFAOYSA-N 321.365 3.105 10 10 DGCE COc1ncc(/C=C\C(=O)N2CC[C@H](C)c3cccc(C)c32)cn1 1534104865 NSRRWJLMQUTYDI-WSROAFLRSA-N 323.396 3.347 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2nc3ccccc3cc2C)c1 1470258386 SZGJRKXXZJYZMO-UHFFFAOYSA-N 306.365 3.487 10 10 DGCE CO[C@H](C)CC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C 1531612517 RSAWETSOFLDOPX-OAHLLOKOSA-N 314.429 3.444 10 10 DGCE CCOCCOC1CCN(Cc2ccc(N(C)C)c(C)c2)CC1 1473107150 BHTRJDFRSMOIBO-UHFFFAOYSA-N 320.477 3.079 10 10 DGCE Cc1c(C(=O)N[C@H](C)c2ccccc2O)cnn1-c1ccccc1 1471196221 WCFOQADZPMDCPA-CYBMUJFWSA-N 321.380 3.377 10 10 DGCE Cc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CC[C@H](C)C1 1612537268 AUESHYQKWAJDKV-ZFWWWQNUSA-N 314.433 3.365 10 10 DGCE C[C@@H]1C[C@@H]2C[C@H]2C[C@@H]1C(=O)NCc1ccc2c(c1)CCCN2C 1626941112 UEAANNZQYSLPPB-ZSGPHXLJSA-N 312.457 3.367 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)c2ccc3cnccc3c2)c1 1631541849 BEOBWJLVQOASIL-LBPRGKRZSA-N 322.364 3.440 10 10 DGCE C[C@H](NC(=O)c1cnc2cc(O)ccc2c1)c1ccccc1O 1635804302 SLBKTXWOJADGSI-NSHDSACASA-N 308.337 3.137 10 10 DGCE O=C(NCc1cc(O)ccc1O)[C@H]1CCC[C@@H]1c1ccccc1 1637126004 JXODZZYEPXKULR-SJORKVTESA-N 311.381 3.298 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)c1cc(F)cc([N+](=O)[O-])c1 1644590924 VJFNGQAPZFICTM-UHFFFAOYSA-N 324.695 3.023 10 10 DGCE COC(=O)c1cnc(SCCc2nc3ccccc3[nH]2)s1 1656581458 YJUOYUMFJVTFRF-UHFFFAOYSA-N 319.411 3.141 10 10 DGCE CCCCn1ncc(NCc2ccccc2O)c(Cl)c1=O 158990239 DRWQHYFNHLERMP-UHFFFAOYSA-N 307.781 3.015 10 10 DGCE CCCOC(=O)c1ccc(/N=N/N2C[C@H](C)O[C@@H](C)C2)cc1 1860482581 UYRXZRQQZSHBMC-SBJXPDJQSA-N 305.378 3.361 10 10 DGCE Cc1cccc(CN[C@]23C[C@@H]2CN(Cc2ccccc2)C3)c1O 1939380325 OLHULWZARPBEGP-QUCCMNQESA-N 308.425 3.065 10 10 DGCE Oc1c(F)cc(Br)cc1CN[C@@H]1CC[C@H]2C[C@H]21 1941000032 LSJPCRIYDRTLEO-HNBZJPLGSA-N 300.171 3.182 10 10 DGCE Cc1ccc(NC(=O)CCNCc2ccc(N(C)C)cc2)cc1 1857851152 AGJKETTZTCFXKX-UHFFFAOYSA-N 311.429 3.179 10 10 DGCE C[C@H](NCc1nccn1Cc1ccccc1)c1ccc(O)cc1O 1942380454 SBIYZYPKAFGYGX-AWEZNQCLSA-N 323.396 3.193 10 10 DGCE CN(CCCCN=[N+]=[N-])C[C@H]1CCCN1C(=O)OC(C)(C)C 1962297843 AZQICAXLAZJEBW-CYBMUJFWSA-N 311.430 3.408 10 10 DGCE CCCSC1CN(c2ccc(CO)cc2Br)C1 1948314824 JNDIUDAAGOJYQR-UHFFFAOYSA-N 316.264 3.273 10 10 DGCE C[C@@H](O)c1ccc(N2CCOC[C@@H]2C(F)(F)F)cc1Cl 2150363471 XKXSDFCZZOCYLA-PRHODGIISA-N 309.715 3.161 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2c1ccc(N)cc1 1977969534 BTJJLWYTQPALKP-RBVVOMGSSA-N 317.433 3.293 10 10 DGCE CC[C@@H](C[C@@H](O)c1ccc(N(C)C)cc1)NC(=O)OC(C)(C)C 1977937890 FJKMKOVABMKAOP-GOEBONIOSA-N 322.449 3.479 10 10 DGCE C[C@@H]1CCN(Cc2ccc(N)cc2)C[C@H]1NC(=O)OC(C)(C)C 1977920305 HXIVBSRYQDRVEO-CZUORRHYSA-N 319.449 3.004 10 10 DGCE C[C@@H](N)c1cc(F)c(N(CCCO)Cc2ccccc2)c(F)c1 1990443535 JDZQFKPRKLFQAH-CYBMUJFWSA-N 320.383 3.374 10 10 DGCE C[C@H](N)c1ccc(N2C[C@H](F)C[C@@H]2C)c(Br)c1 1997694634 XBHDZSRVFCWGCT-ATZCPNFKSA-N 301.203 3.406 10 10 DGCE CN1CCCc2cc([C@@]3(N)CCN(Cc4ccccc4)C3)ccc21 1999522420 ZHFRIJLQORDOFA-OAQYLSRUSA-N 321.468 3.129 10 10 DGCE C[C@@H]1[C@@H](CN(C)c2ccc(CN)c(Br)c2)C1(F)F 2036080426 YIFMGDHGOHLJJQ-LDYMZIIASA-N 319.193 3.245 10 10 DGCE O=C(O)[C@]12C[C@@H](NCc3cc(Cl)cc(Cl)c3O)C[C@@H]1C2 712937098 KKSRKURNKYKCTQ-IPURGOFSSA-N 316.184 3.042 10 10 DGCE CCCNCc1ccc(N(C)[C@H](C)C[S@](C)=O)cc1Cl 398893256 NQPVMINQDRHPSP-ODXCJYRJSA-N 316.898 3.043 10 10 DGCE CCOC(=O)c1cc(CC)nn1[C@@H](C)c1ccc(C)cc1O 2069882653 SADNOFVBZCHDGL-LBPRGKRZSA-N 302.374 3.246 10 10 DGCE CC(C)Cc1cc(N)n(Cc2cc(C(F)(F)F)ccc2O)n1 2070171053 WLWGTPDYPBEWET-UHFFFAOYSA-N 313.323 3.437 10 10 DGCE C[C@@H]1OCC[C@@H]1CN(C)Cc1cccc(Br)c1O 2057467049 BAIHRTBJPFTIGI-WDEREUQCSA-N 314.223 3.012 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@@H](F)C[C@@H](F)C2)cc1Br 2062387746 CYFZIGGNVLXEJJ-BBBLOLIVSA-N 320.177 3.389 10 10 DGCE Nc1ccc(F)c(Br)c1NCc1ccccc1O 2071646707 SIUGFSIVIJYGGD-UHFFFAOYSA-N 311.154 3.488 10 10 DGCE CC[C@@H]1CC[C@H](CNCc2cc(Br)ccc2O)O1 2081658196 SPJODNCBGIBDFQ-CHWSQXEVSA-N 314.223 3.202 10 10 DGCE C[C@H](N)c1ccc(N(C)Cc2ccno2)c(Br)c1 2082480443 ZRVGDGLKNVGJFV-VIFPVBQESA-N 310.195 3.093 10 10 DGCE CCc1nc(C(=O)CCc2ccc(N)cc2)c(Br)[nH]1 2087655708 RGWFIBQAALWAGY-UHFFFAOYSA-N 322.206 3.132 10 10 DGCE Cc1cc(N(C)Cc2ccc(Br)o2)ccc1CCN 2113580274 YYOKDNZXZNNPDL-UHFFFAOYSA-N 323.234 3.488 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Br)cc1 2218747166 ZWCAZBQVAPDWNA-WDEREUQCSA-N 309.167 3.410 10 10 DGCE C[C@@H](O)c1ccc(N2CC[C@H]3C[C@@]3(F)C2)cc1Br 2222657967 PWAKARYRKJEAPF-ISTVAULSSA-N 314.198 3.441 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@]1(C2CC2)CCOC1 2230033436 RVNXKDKWNOGKEK-CQSZACIVSA-N 302.201 3.358 10 10 DGCE CNCC[C@H](Nc1c(N)cccc1Br)C(C)(C)C 2264025178 MUVUTFHQCLJXFI-LBPRGKRZSA-N 314.271 3.467 10 10 DGCE Cc1cccc(C=C2SC(=S)N(C[C@H]3CCCO3)C2=O)c1 2323744415 AZZPCNGZNVFWCM-CYBMUJFWSA-N 319.451 3.375 10 10 DGCE C[C@H](N)c1ccc(N2C[C@@H]3C[C@H]2[C@@H]2C[C@@H]32)c(Br)c1 2308724174 CTWIJFZGOBJDKG-LBSLZEFRSA-N 307.235 3.313 10 10 DGCE C[C@H](Oc1cccc(Cl)c1)C(=O)N(C)c1ccc(N)cc1 51018202 PMFQZNTVIKYPGV-NSHDSACASA-N 304.777 3.353 10 10 DGCE CCN1C=Cc2cc(C)ccc2/C1=C1\SC(=S)NC1=O 103592002 KKXNELZLCKODOA-OUKQBFOZSA-N 302.424 3.118 10 10 DGCE C[C@H](CNCc1ccc(N(C)C)cc1)N(C)C(=O)OC(C)(C)C 304302445 PERVLVUEINAPJN-CQSZACIVSA-N 321.465 3.098 10 10 DGCE Cc1ccc(O)c([C@H](C)NCCOc2ccc3c(c2)OCO3)c1 185110884 KOQPUSIUGIHIQI-ZDUSSCGKSA-N 315.369 3.159 10 10 DGCE Oc1ccc(Br)cc1CNc1cccn2ccnc12 1171175299 JGVHFNOJDQLTQT-UHFFFAOYSA-N 318.174 3.415 10 10 DGCE COCc1ccc([C@H]2CCCN2Cc2ccc(OC)cc2O)o1 137068155 HLAJXFYNPLSOKN-MRXNPFEDSA-N 317.385 3.477 10 10 DGCE Cc1ccc(O)c(CN(CC(=O)O)c2cccc(Cl)c2)c1 86750692 KFFJQSUPAHDDBF-UHFFFAOYSA-N 305.761 3.445 10 10 DGCE CC(C)(C)OC(=O)NC/C=C/CN[C@H]1CCc2cccc(O)c21 381908106 YVLFPTWRVXEHQX-NNTXTVRGSA-N 318.417 3.050 10 10 DGCE C[C@H](NCC1(C2CC2)CC1)c1ccc(N2CCOCC2)cc1 90772651 LGTCWMRIWCWHBC-HNNXBMFYSA-N 300.446 3.364 10 10 DGCE C[C@@H](O)[C@H](N)c1cc(Cl)c(OCc2ccccc2)cc1O 95770157 WEKYIPHQNLFCDB-HWPZZCPQSA-N 307.777 3.005 10 10 DGCE CC(=O)N(C(=O)OCCc1ccc(C)cc1)c1ccc(N)cc1 244534463 ZUZZOPPUTVYSHB-UHFFFAOYSA-N 312.369 3.309 10 10 DGCE Cc1cc(O)c(CN2C[C@@H](CO)[C@@H](c3ccsc3)C2)cc1C 249527585 ADGCBVIRTXJVOY-DLBZAZTESA-N 317.454 3.278 10 10 DGCE CC[C@@H](N[C@@H]1CCC(=O)NC12CCC2)c1cccc(Cl)c1O 286866573 BLZWRRRPOOJURA-ZIAGYGMSSA-N 322.836 3.288 10 10 DGCE CC(C)CCCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 294246075 COBNVGWUBMJSFC-UHFFFAOYSA-N 318.461 3.308 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCC[C@H](CCO)CC2)cc1 817419648 VQKXQLINIAYUAE-YZTRRJNXSA-N 302.462 3.250 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N2CCCC(F)(F)CC2)cc1 824898878 RIPQOIMCIWRLTJ-UHFFFAOYSA-N 310.304 3.110 10 10 DGCE COC(=O)c1cnc(/C=C\c2ccc(N(C)C)c(F)c2)s1 727654355 LOFCVNUTJZEWFW-ALCCZGGFSA-N 306.362 3.305 10 10 DGCE Oc1cccc2c1[C@H](NC[C@]1(c3ccccc3)C[C@H](O)C1)CC2 903269583 BMVSZHAZKUNVIX-MBOZVWFJSA-N 309.409 3.062 10 10 DGCE Nc1ccc(OCCCn2ccc3c2CCN=C3C2CC2)cc1 821289459 KDJJDDYXEPTEPJ-UHFFFAOYSA-N 309.413 3.295 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCC[C@@H]2[C@H]2CCCO2)cc1 835049552 KAEYMBVNYXFOJN-QXDJROSASA-N 300.446 3.409 10 10 DGCE CCc1cccc(NC(=S)NCc2cccc(OC)n2)c1 748045404 CPSXKBMOFBJNKT-UHFFFAOYSA-N 301.415 3.139 10 10 DGCE Oc1cc2c(cc1CN1CCOC3(CCCCC3)C1)CCC2 742166676 ZWQQARWZQVSERM-UHFFFAOYSA-N 301.430 3.416 10 10 DGCE CCN1CC[C@@H](N(C)Cc2ccc(N(C)C)cc2C)[C@H](C)C1 840918002 XTOUBNMTDXREJJ-VQIMIIECSA-N 303.494 3.223 10 10 DGCE COC(=O)/C=C\c1ccc(N2C[C@H](C)CC[C@@H]2C)c([N+](=O)[O-])c1 743461262 XFFIAMGFYYJTHT-HYOAPIGFSA-N 318.373 3.406 10 10 DGCE CCOc1ccc(CN[C@@H](C2CC2)[C@@H]2CCCCO2)c(O)c1 848559145 AVHKQJJNTJZUAI-ROUUACIJSA-N 305.418 3.228 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C)c2cn[nH]c2)cc1 757573078 ABFCEVAVBIVUAK-CQSZACIVSA-N 308.385 3.308 10 10 DGCE Cc1ccc([C@H](C)N[C@H]2C[C@@](CO)(c3ccccc3)C2)c(O)c1 927154833 DTKOZWIGSPKSSV-RIFZZMRRSA-N 311.425 3.444 10 10 DGCE CC[C@@H](C(=O)NCc1c(O)cccc1F)c1ccc(OC)cc1 928709000 VAFHRELJXQZFEI-CQSZACIVSA-N 317.360 3.350 10 10 DGCE CC(C)=CC[C@@H]1NC(=O)N([C@@H](C)c2ccc(N(C)C)cc2)C1=O 924714386 BZAQIZVVUHTPRZ-BBRMVZONSA-N 315.417 3.090 10 10 DGCE CC[C@H](CNCc1cc(Cl)cc(Cl)c1O)CC(=O)O 756306655 CHXVJBUNNZLDRP-QMMMGPOBSA-N 306.189 3.290 10 10 DGCE C[C@H]1CN(Cc2ccc(N(C)C)cc2)C[C@@H](CC(F)(F)F)O1 852741119 FPWMMPDSKIOZMH-SWLSCSKDSA-N 316.367 3.294 10 10 DGCE Fc1cc(CNCC[C@@H]2CC=CCC2)ccc1N1CCOCC1 858272547 UQVZXHGHLOEBAZ-MRXNPFEDSA-N 318.436 3.498 10 10 DGCE Nc1ccc(C[C@@H](O)Cc2ccc(F)c(Br)c2)cc1 696528035 KXSHWPQSVPLBPA-CYBMUJFWSA-N 324.193 3.317 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1nc(C2CC2)cs1 1348627859 ACOOUOPAPSVKSR-UHFFFAOYSA-N 323.414 3.142 10 10 DGCE C[C@H](N[C@@H]1CC[C@@H](C)NC1)c1ccc(Cl)c(Cl)c1O 863544771 AQHCDSIKWIQGHJ-KXUCPTDWSA-N 303.233 3.490 10 10 DGCE CCN(CC)CC1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 768302550 IBVZLQUTLXAQQM-UHFFFAOYSA-N 321.484 3.446 10 10 DGCE O=C(N[C@@H]1CCC[C@@H](F)C1)c1cc2cc(O)c(O)cc2s1 1119562712 WUCGNKWVGLOEMG-NXEZZACHSA-N 309.362 3.323 10 10 DGCE O=C([C@H]1CCCc2c(O)cccc21)N1Cc2cccc(O)c2C1 871204929 SRTUTYIOACQKLT-HNNXBMFYSA-N 309.365 3.060 10 10 DGCE C[C@@H](NC(=O)Nc1ccc2nccn2c1)c1ccc(N(C)C)cc1 775637773 XRAWQTSTPKWVRI-CYBMUJFWSA-N 323.400 3.283 10 10 DGCE C[C@@H]1SCCN(C(=O)c2cc3cc(O)c(O)cc3s2)[C@H]1C 896445192 NSARYWWQCQDQFG-IUCAKERBSA-N 323.439 3.279 10 10 DGCE CCCCCOc1ccc(N2CC[C@H](CNC[C@@H](C)O)C2)cc1 76359856 VDQOLWAPVGSTGP-IAGOWNOFSA-N 320.477 3.052 10 10 DGCE C[C@H]1SCCN(C(=O)c2cc3cc(O)c(O)cc3s2)[C@@H]1C 896445194 NSARYWWQCQDQFG-RKDXNWHRSA-N 323.439 3.279 10 10 DGCE CNCc1ccc(N2CCC[C@H](CF)C2)cc1Br 711457551 WJARDEKJMHAUAI-LLVKDONJSA-N 315.230 3.354 10 10 DGCE C[C@H](C(=O)NCc1ccc2cccnc2c1O)c1ccsc1 1142728686 ZWQIQAZITKGRSC-NSHDSACASA-N 312.394 3.422 10 10 DGCE CCN(CC)c1ccc(CNC(=O)N[C@@H]2C[C@H]2C2CC2)cc1 797434342 SFZZXXHLIAYMHF-DLBZAZTESA-N 301.434 3.131 10 10 DGCE Oc1cccc2c1[C@H](NCc1ccncc1Br)CC2 686579500 ZGZDWZDKRGKYCB-CYBMUJFWSA-N 319.202 3.327 10 10 DGCE Cc1onc(-c2ccccn2)c1C(=O)N[C@@H](C)c1ccccc1O 1151892735 YBEAISYPUINWFS-NSHDSACASA-N 323.352 3.242 10 10 DGCE Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NC[C@]12CCC[C@H]1NCC2 1332422433 WBAVKAPIYWNFEP-QHHYFVSCSA-N 300.446 3.371 10 10 DGCE COc1ccc(CN[C@@H](C)[C@H](C)NC(=O)C2=CCCC2)cc1C 1282114640 UNPMZNCXYKYJFS-GJZGRUSLSA-N 316.445 3.097 10 10 DGCE CNCc1ccc(N(Cc2ccccc2)CC(C)(C)O)c(F)c1 1915410604 SNSYKCKHMPPSQK-UHFFFAOYSA-N 316.420 3.323 10 10 DGCE CCc1cnc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)o1 1472152367 LQJXMBQNPUCWQF-UHFFFAOYSA-N 310.357 3.292 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)[C@H]2CCCC[C@H]2C)cc1 1616534010 MLLUCJNQMDQFDT-QAPCUYQASA-N 318.461 3.416 10 10 DGCE C[C@@H](NC(=O)c1ccc(N(C)C)c(F)c1)c1ccccc1O 1635793907 NEAOYGBDHRUAFH-LLVKDONJSA-N 302.349 3.088 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C[C@@H]2CCC[C@@H]21 1565461030 XSNINCFUWXJTHE-RYQLBKOJSA-N 315.461 3.473 10 10 DGCE COc1ccc(N(C)C[C@H]2CCCCN2C(C)C)cc1OC 1644464662 UQXUPSQPRQKBDC-MRXNPFEDSA-N 306.450 3.403 10 10 DGCE C[C@@H]1CC(CNC(=O)/C=C\c2ccc(O)c(O)c2)C[C@H](C)C1 1641082270 HUWLIVGJGBWJEP-FPBWSKMOSA-N 303.402 3.300 10 10 DGCE Cc1nc(Sc2nccs2)c(Br)cc1N 1929892943 SBPKVLOMBKUZTL-UHFFFAOYSA-N 302.222 3.342 10 10 DGCE CN(Cc1c(O)cccc1Br)CC1CC(F)C1 1944068061 GVFQJAAOOHUFOB-UHFFFAOYSA-N 302.187 3.335 10 10 DGCE COc1ccc(Br)c(CN[C@H]2C=CCCC2)c1O 1964041315 ACULEBHMCKHJKE-JTQLQIEISA-N 312.207 3.362 10 10 DGCE C[C@H](C(=O)O)N(Cc1ccccc1)[C@H](C)c1c(O)cccc1O 1902362672 FOVWHCFQOXPBAV-CHWSQXEVSA-N 315.369 3.134 10 10 DGCE Oc1c(F)cc(Br)cc1CNCC1(F)CCC1 1964062696 FASYMHKFEQSALS-UHFFFAOYSA-N 306.150 3.276 10 10 DGCE N[C@H](c1ccccc1O)[C@H](O)c1ccsc1C(F)(F)F 2148147958 MYNMBVMROKDRJR-GHMZBOCLSA-N 303.305 3.206 10 10 DGCE Cc1cccc(CNCCC2(NC(=O)OC(C)(C)C)CC2)c1O 1972551900 QCEJDPPQRXWICS-UHFFFAOYSA-N 320.433 3.238 10 10 DGCE CC1(C)CN(Cc2ccccc2)CCN1c1ccc(CN)cc1 1976498529 BUJCYBBJXKDMMY-UHFFFAOYSA-N 309.457 3.246 10 10 DGCE Cc1cccc(O)c1CN[C@@H]1CCCN(Cc2ccccc2)C1 1976874912 BFQNWNNVPCSBKZ-GOSISDBHSA-N 310.441 3.455 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@]2(CCCN2c2ccc(N)cc2)C1 1977968556 RFJKYHNWEWAWGJ-SFHVURJKSA-N 317.433 3.249 10 10 DGCE COc1ccc(CNC[C@H]2C[C@H]2NC(=O)OC(C)(C)C)cc1C 1978007548 CGCNUXUGTQJDPM-HUUCEWRRSA-N 320.433 3.006 10 10 DGCE CC(C)(C)OC(=O)N1CCCC[C@H]([C@H](N)c2ccccc2O)C1 1984321941 ZFQNPDSMPYGUPY-BBRMVZONSA-N 320.433 3.429 10 10 DGCE CC(C)(C)OC(=O)N[C@H](CC1CCC1)[C@H](N)c1ccccc1O 1986007140 QNOOKRVIAIULPE-GDBMZVCRSA-N 320.433 3.476 10 10 DGCE Nc1ccc(CCN2C[C@H]3C[C@H]2CN(Cc2ccccc2)C3)cc1 1997910722 WQTHVHUJMAVHRD-FPOVZHCZSA-N 321.468 3.018 10 10 DGCE Cc1nn([C@H](C)c2ccc(N(C)C)cc2)c(N)c1Br 43668737 CNLSFYOMRFAHQF-SNVBAGLBSA-N 323.238 3.212 10 10 DGCE Nc1cccc(Br)c1N[C@@H]1CCOCCC1(F)F 2035873415 VZWGUJYMZGQPAZ-SNVBAGLBSA-N 321.165 3.258 10 10 DGCE CC[C@H]1COC[C@@H]1N(C)Cc1c(O)cccc1Br 707171267 JLWXXLFPELUSJC-GWCFXTLKSA-N 314.223 3.012 10 10 DGCE CCCOCCNCc1cc(Cl)cc(Br)c1O 714984695 FBOOYBVOUMNALA-UHFFFAOYSA-N 322.630 3.324 10 10 DGCE CO[C@H]1CC[C@H](CN(C)c2cc(Cl)c(CN)cc2F)C1 2177387754 IYHOOEMWVCDYLU-JQWIXIFHSA-N 300.805 3.189 10 10 DGCE C[C@H]1COCCN([C@H](C)c2cc(Br)ccc2O)C1 399495167 JFLFEDOKDCOPIG-GHMZBOCLSA-N 314.223 3.184 10 10 DGCE CC[C@@H](c1ccc(OC)cc1O)n1nc(C(C)(C)C)c(N)c1N 2079843300 DZEXBUXDRLKQHL-LBPRGKRZSA-N 318.421 3.059 10 10 DGCE C[C@]1(C(F)F)CCN(c2ccc(CN)c(Br)c2)C1 2054236793 AVVOKNNLPJXXJG-ZDUSSCGKSA-N 319.193 3.389 10 10 DGCE NCc1ccc(N2CCC[C@H](OC(F)(F)F)C2)c(Cl)c1 2238820888 QGHPIJANTFJHKJ-JTQLQIEISA-N 308.731 3.304 10 10 DGCE CCCN(C[C@@H](C)O)c1ccc([C@H](C)O)cc1Br 2259660006 KSHIKWGVOHHDHO-MNOVXSKESA-N 316.239 3.100 10 10 DGCE CSc1ncc(CNC(=O)c2cc(O)ccc2Cl)s1 2269132528 DSTZWKCCDGIARA-UHFFFAOYSA-N 314.819 3.154 10 10 DGCE Cc1cc(Br)cnc1C(=O)N(C)c1ccc(N)cc1 2269734818 RZEBTPUPHDUWOO-UHFFFAOYSA-N 320.190 3.011 10 10 DGCE C[C@H](O)c1ccc(N2CCO[C@H](P(C)(C)=O)C2)cc1Cl 2289324614 ZPBJZTFHDIYRDO-IINYFYTJSA-N 317.753 3.179 10 10 DGCE CSc1ccccc1N(C)C(=O)C=Cc1cnn(C)c1C 2304184694 IGXVXYWGETYYFC-UHFFFAOYSA-N 301.415 3.127 10 10 DGCE C[C@H](NC(=O)C=Cc1ccc(O)c(O)c1)c1ccc(Cl)cn1 2312407120 DTWBLZAFPVYPAA-JTQLQIEISA-N 318.760 3.037 10 10 DGCE Oc1cccc(Br)c1CN[C@H]1C[C@@H]2C[C@H]1[C@H]1C[C@@H]21 2309577359 BWJHHUAOTGDHOF-VITBEWHZSA-N 308.219 3.289 10 10 DGCE Cc1nc(Br)c(CN[C@H](C)c2ccccc2O)n1C 2337345962 XYVYGLRMSBZSCO-SECBINFHSA-N 324.222 3.047 10 10 DGCE COc1ccc(CNCc2ccc(N)cc2)c(Br)c1 2339469640 ISEKTQWUHWYXPY-UHFFFAOYSA-N 321.218 3.330 10 10 DGCE COc1cccc(CN2CCC[C@H]2c2c(C)noc2C)c1O 21720578 DLVGAKAJGUDEKC-AWEZNQCLSA-N 302.374 3.343 10 10 DGCE C[C@H](Cc1ccccc1)C(=O)NCc1ccc(N(C)C)c(F)c1 112009595 USCPKNAAGVHYAF-CQSZACIVSA-N 314.404 3.387 10 10 DGCE Cc1cc(CCNC(=O)c2cccnc2)c(C)n1-c1ccccc1 62576718 IIPGWVCTTDBTQX-UHFFFAOYSA-N 319.408 3.462 10 10 DGCE COc1ccc([C@@H](C)NC(=O)c2ccc(C)c(O)c2O)cc1F 177663447 WHDUYVPCWVISFI-SNVBAGLBSA-N 319.332 3.045 10 10 DGCE C[C@H](NC[C@@H](c1cccs1)N(C)C)c1cc(O)ccc1O 21039217 HZHCNUWFVBZYGD-FZMZJTMJSA-N 306.431 3.113 10 10 DGCE C[C@H](Cc1ccccc1)C(=O)N1CCOc2cc(N(C)C)ccc21 173187412 IHCNCUKRJRQZKD-OAHLLOKOSA-N 324.424 3.357 10 10 DGCE COc1ccc(N(C)C[C@@H](O)COc2ccc(C)cc2)cc1F 121751370 PCQBRYJYZOPKAU-OAHLLOKOSA-N 319.376 3.019 10 10 DGCE COc1cccc(-c2noc(/C=C/c3ccc(O)c(O)c3)n2)c1 185187576 IYBHBKDQYSDUEP-SOFGYWHQSA-N 310.309 3.327 10 10 DGCE Cc1cccnc1/C=C/C(=O)NCCCSc1nccs1 183621179 JCTDECLLRSMPPU-AATRIKPKSA-N 319.455 3.158 10 10 DGCE Cc1ccc(O)c([C@@H](C)N[C@@H]2CCc3nc(C(C)C)nn3C2)c1 185996569 XQZKRKAVVIPPFZ-ZIAGYGMSSA-N 314.433 3.081 10 10 DGCE CC1CCN([C@H](C)CN[C@@H](C)c2ccc(F)c(F)c2O)CC1 187677201 CXHMJZIVSGCOLN-OLZOCXBDSA-N 312.404 3.441 10 10 DGCE C[C@@H](NC(=O)OC(C)(C)C)[C@](O)(CN=[N+]=[N-])c1ccccc1 72207860 YNUQPFKZZPQHOM-IAQYHMDHSA-N 306.366 3.098 10 10 DGCE CCOc1ccc(O)c(CN[C@H]2CCOC3(CCCC3)C2)c1 136691106 IFJHXBBWCLWVJX-HNNXBMFYSA-N 305.418 3.372 10 10 DGCE Nc1ccc(CCC(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 40306692 RNJAELJXKSYPFC-GFCCVEGCSA-N 300.324 3.002 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@@]2(C)C[C@H]3CC[C@H]2O3)cc1 250120526 IOPOTNPXQOENAE-LMMKCTJWSA-N 316.445 3.107 10 10 DGCE CN(C)c1ccc(CNCc2noc3c2CCCC3)cc1F 288326927 AKGZREBSYBCKIP-UHFFFAOYSA-N 303.381 3.048 10 10 DGCE O=[N+]([O-])c1ccc(O)c(CNCCc2ccc3ccccc3n2)c1 725850125 LRQYDWGJJYKENI-UHFFFAOYSA-N 323.352 3.181 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccc(C2CC2)cc1 588583697 XCNJJVFEVUKCMA-WMZJFQQLSA-N 309.365 3.305 10 10 DGCE Cn1ccc([C@@H]2CCCN(Cc3c(O)ccc4ccncc34)C2)n1 905716264 QTAWUOAGAXHTGL-OAHLLOKOSA-N 322.412 3.054 10 10 DGCE CC(C)(C)C1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 838485243 FPMGQLXJIVJSSD-UHFFFAOYSA-N 313.445 3.250 10 10 DGCE C[C@@H](CNC[C@H](N)c1ccc(N(C)C)cc1)Cc1ccccc1 841046060 VKGYTXBKICKYAK-UZLBHIALSA-N 311.473 3.221 10 10 DGCE CC[C@@H](N[C@H]1C[C@@](C)(O)C1)c1cc(Br)ccc1O 841760128 TVIGKJJOPTWVKJ-QKCSRTOESA-N 314.223 3.109 10 10 DGCE CCOCc1cc(CNC[C@]2(C)CCCCO2)ccc1OC 922818063 UARKSJAWHJBDNB-SFHVURJKSA-N 307.434 3.281 10 10 DGCE COC(=O)CC(C)(C)C[C@H](C)NCc1ccc2c(c1)CCO2 850429513 FXKMEHHDPYNJSZ-ZDUSSCGKSA-N 305.418 3.079 10 10 DGCE C[C@H](NCC[C@@H]1CNC[C@H]1C)c1cc2c(cc1O)CCCC2 925794358 DJCJHKVHICQPCV-JKIFEVAISA-N 302.462 3.167 10 10 DGCE COc1ccc(N2CC[C@H](N[C@H](C)CC3CCOCC3)C2)cc1 850486172 ABAAYYIZYIZAKD-WBVHZDCISA-N 318.461 3.069 10 10 DGCE CCOC(=O)c1cc(CN[C@@H](C)c2ccc(Cl)cc2O)on1 866515225 DMLAXTHRGHBEOH-VIFPVBQESA-N 324.764 3.061 10 10 DGCE Oc1c(Br)cccc1CN1CCCSCC1 780893518 QITMQKSBRGVEIC-UHFFFAOYSA-N 302.237 3.094 10 10 DGCE COCc1nc(-c2ccc(N(C)C)cc2)sc1C(C)(C)O 82446335 BAMHLYUSPROMMC-UHFFFAOYSA-N 306.431 3.250 10 10 DGCE CCC[C@@H]1COC[C@H]1NCc1ccc(Br)cc1O 691454410 LEEHXQMMXMTAFM-DGCLKSJQSA-N 314.223 3.059 10 10 DGCE CC(=O)c1cc(F)cc(CN2CCCC[C@H]2[C@H]2CCCO2)c1O 1176927488 SJIUUNCBWCWMAU-DLBZAZTESA-N 321.392 3.267 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CC[C@H]2CCO[C@H]2C1 2128410091 BPIJKYPRBDCWQD-ZANVPECISA-N 302.201 3.310 10 10 DGCE C/C(=C/C(=O)N1CCCSc2ccccc21)c1cnccn1 1350753530 ANODEPVPJYCTNT-QBFSEMIESA-N 311.410 3.409 10 10 DGCE CN(CCN=[N+]=[N-])C(=O)c1cc(Cl)cc(Br)c1 1912186606 FOCXPWGJJKRMAV-UHFFFAOYSA-N 317.574 3.485 10 10 DGCE COc1ccc(C(=O)NCc2ccc3cccnc3c2O)c(C)c1 1451959306 WWXGRHLKJIXCBM-UHFFFAOYSA-N 322.364 3.187 10 10 DGCE C[C@H](NC(=O)c1ccn(Cc2ccccc2)n1)c1ccccc1O 1454812714 BUXWYIFDFIZSJM-AWEZNQCLSA-N 321.380 3.128 10 10 DGCE C[C@@H](NCC(=O)Nc1ccccc1Cl)c1ccccc1O 1460635032 FSVKIELDJDSVAA-LLVKDONJSA-N 304.777 3.335 10 10 DGCE COc1ncc(/C=C/C(=O)N(CC2CC2)c2ccc(C)cc2)cn1 1625992216 VUOSNNVUIVCSNN-JXMROGBWSA-N 323.396 3.250 10 10 DGCE CN(C(=O)c1ccc(N=NC(N)=O)cc1)c1ccc(F)cc1 1626196759 UQMGQNVXKDALGT-UHFFFAOYSA-N 300.293 3.265 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)Nc2cccc(C3CC3)n2)cc1 1556719924 WGFSMHURAWQNKM-UHFFFAOYSA-N 309.329 3.374 10 10 DGCE CCC(C)(C)C(=O)N[C@H]1C[C@@H](NCc2ccc(OC)c(C)c2)C1 1491049907 DDFLGSFTGDUECJ-IYBDPMFKSA-N 318.461 3.177 10 10 DGCE CCC1(CC)[C@H](NC(=O)N[C@H](C)c2ccccc2O)C[C@H]1OC 1564411062 CFTHRYDYTIROAV-DAXOMENPSA-N 320.433 3.346 10 10 DGCE CN1CCc2cc([C@H](CCCO)NC(=O)OC(C)(C)C)ccc21 1927309063 BWOJQZBYGRVPOO-HNNXBMFYSA-N 320.433 3.017 10 10 DGCE CCCCc1ccc(CC(=O)NCc2cc(O)ccc2O)cc1 1643879190 FBEOLUBLPLVVCU-UHFFFAOYSA-N 313.397 3.299 10 10 DGCE Cc1ncc(C)c(NCc2cccc(Br)c2O)n1 1651820150 VXYKLRXYHPLQGC-UHFFFAOYSA-N 308.179 3.174 10 10 DGCE CC(C)O[C@H]1C[C@@H](NC(=O)N[C@H](C)c2ccccc2O)C1(C)C 1681359723 SRCZIGICWKOSAW-WQVCFCJDSA-N 320.433 3.345 10 10 DGCE CN1CCC(N(C)/N=N/c2ccc([N+](=O)[O-])cc2Cl)CC1 1860483649 CHBVIDDKQGZZBR-FOCLMDBBSA-N 311.773 3.273 10 10 DGCE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1Nc1c(N)cccc1Cl 1885271039 JDEBKOTYWFBHLE-SKDRFNHKSA-N 311.813 3.247 10 10 DGCE CCc1cccc(CN[C@@]23C[C@@H]2CN(Cc2ccccc2)C3)c1O 1950090100 NSEVNJIAANIAND-TZIWHRDSSA-N 322.452 3.319 10 10 DGCE CCCN(C[C@H](N)c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C 1977944434 FVAGDXOOVPOWBU-INIZCTEOSA-N 321.465 3.400 10 10 DGCE Cc1cccc(O)c1CN[C@H](C)CCN(C)C(=O)OC(C)(C)C 1980090058 LJPRFSSNKSTZIA-CQSZACIVSA-N 322.449 3.436 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]2CC[C@H]1N2c1ccc(N)cc1 1982131954 NBNIUQSYFCBUOX-APHBMKBZSA-N 317.433 3.151 10 10 DGCE CCCNCc1ccc(N2C[C@H](F)[C@@H](OC)C2)cc1Cl 2146478531 LUXGZXAHPBIKQZ-GJZGRUSLSA-N 300.805 3.013 10 10 DGCE CCc1nc([C@H](N)c2ccccc2O)c(Br)s1 2003573094 XHUGKKLRGPVVMO-SNVBAGLBSA-N 313.220 3.222 10 10 DGCE Cc1ccc(CNCc2cc(Br)ccc2O)nc1 400944941 RKRFUSCUEDDJAO-UHFFFAOYSA-N 307.191 3.148 10 10 DGCE Cc1cc(Br)cc(CN(C)[C@H]2CO[C@@H](C)C2)c1O 401362728 CWLFZABXJRPGBV-GXFFZTMASA-N 314.223 3.072 10 10 DGCE C[C@H]1C[C@@H](N(C)c2ccc([C@H](C)N)cc2Br)CO1 401573333 MUTMSMBGWFOKDG-JBLDHEPKSA-N 313.239 3.082 10 10 DGCE COc1ccc(N(CC/C=C/Br)CCCN)cc1 2051151485 RJXSSMSXIUQRCK-XNWCZRBMSA-N 313.239 3.149 10 10 DGCE CO[C@H](C)CCN(C)c1ccc([C@H](C)O)c(Br)c1 2059359414 MLZWGVYBEBRAAY-MNOVXSKESA-N 316.239 3.364 10 10 DGCE CC1=C(Br)CCN(c2c(F)cc(CN)cc2F)C1 2077207260 GFMBUTLEINWEFM-UHFFFAOYSA-N 317.177 3.303 10 10 DGCE COc1ccc(N2CC(C)(C)NC[C@@H]2C)c(Br)c1 2221625270 LEBITERGYJIIAD-JTQLQIEISA-N 313.239 3.034 10 10 DGCE NCc1ccc(N2C[C@@H]3C[C@@H](C(F)(F)F)[C@@H]3C2)c(Cl)c1 2281172219 DMIDZWBXYFFRBM-HBNTYKKESA-N 304.743 3.433 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@H]1NC(=O)c1cnc(C(F)(F)F)s1 2289294630 AKGYFGRNOYCVMM-RITPCOANSA-N 305.285 3.123 10 10 DGCE Cc1ccc2c(c1)O[C@H](C)CN2C(=O)C=Cc1cncc(F)c1 2297781778 YCMDNZMEDUQGCJ-CYBMUJFWSA-N 312.344 3.356 10 10 DGCE COc1cc(C=C2C(=O)N(Cc3ccccc3)N=C2C)ccc1O 2332134644 UBGBDVXRKIVZHH-UHFFFAOYSA-N 322.364 3.203 10 10 DGCE Cc1ccc(CN(C)CC[C@H]2CCO2)c(O)c1Br 2327605189 DRJMYSITXNYEBV-LBPRGKRZSA-N 314.223 3.074 10 10 DGCE O=Cc1cc2scc(O)c2cc1I 307098780 WLSKAILJNRXQON-UHFFFAOYSA-N 304.108 3.024 10 10 DGCE Cc1cc(C(=O)Nc2ccon2)c(C)n1-c1ccc(C#N)cc1 183705980 STOMKCFSVYDWPL-UHFFFAOYSA-N 306.325 3.206 10 10 DGCE Cc1ccc(-n2cccn2)cc1NCc1cc([N+](=O)[O-])ccc1O 188937149 PTKRLQUJLAKOAK-UHFFFAOYSA-N 324.340 3.407 10 10 DGCE CCC[C@@H](Oc1ccc(N)cc1)C(=O)c1ccc2c(c1)OCO2 40354233 UWYPYGQPUALFQY-MRXNPFEDSA-N 313.353 3.428 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](N)[C@H]1c1cc(Cl)ccc1O 1952306383 LJOGUVHXUIEOEU-WCQYABFASA-N 312.797 3.055 10 10 DGCE C[C@@H]1CCC[C@H](N(C)c2cc3c(cc2Cl)[C@@H](N)C(=O)N3)C1 221196002 YOTUALUBZCKMIT-HFBDOXOYSA-N 307.825 3.307 10 10 DGCE Oc1cccc(Cl)c1CN1CCC(CN2CCCC2)CC1 134038669 ADFXBHFFYBMDBZ-UHFFFAOYSA-N 308.853 3.353 10 10 DGCE CCOc1cccc(CN2CC[C@@H](Nc3ccccc3)C2)c1O 92757912 MHXMBHALPNZUCV-QGZVFWFLSA-N 312.413 3.477 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@H]2O3)cc1 247383737 ICVXENYPTIFMEF-KZNAEPCWSA-N 310.397 3.144 10 10 DGCE CCOC(=O)c1ccc(NC(=S)Nc2ccc(N)cc2)cc1 244540595 ZYIVPXMVNKONHG-UHFFFAOYSA-N 315.398 3.254 10 10 DGCE COc1cccc(N=Nc2c(N)n(-c3ccccc3)[nH]c2=O)c1 252615813 JVELLLRARVTPTA-UHFFFAOYSA-N 309.329 3.172 10 10 DGCE C[C@H](NCCCCN(C)C)c1ccc(Br)cc1O 273575662 LRWPMCPARYPFGX-NSHDSACASA-N 315.255 3.147 10 10 DGCE CCO[C@H]1C[C@@H](OC(=O)c2cc(C)n(-c3ccccn3)c2C)C1 809116688 VBVSJRSWRXUDBT-GASCZTMLSA-N 314.385 3.213 10 10 DGCE C[C@@H](N)c1ccc(N(C)Cc2cnn(C)c2Cl)c(Cl)c1 2166115762 WDGHPHUVLHTLOM-SECBINFHSA-N 313.232 3.383 10 10 DGCE C[C@@H](NCC1(CCO)CC1)c1cccc(C(F)(F)F)c1O 815618323 JIICJZQBGRWWIL-SNVBAGLBSA-N 303.324 3.224 10 10 DGCE Cc1cc(CN2C[C@H](O)CC(F)(F)C2)ccc1N1CCCCC1 829151702 MIONYTOAVRWUIA-MRXNPFEDSA-N 324.415 3.187 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)NC[C@@]1(C)CC1(F)F 822424011 OMRCRABHXTYPEW-OAHLLOKOSA-N 312.360 3.359 10 10 DGCE COC(=O)/C=C\c1ccc(N(C)C2CCCC2)c([N+](=O)[O-])c1 733184316 DZAWFSVKUKXIIH-NTMALXAHSA-N 304.346 3.160 10 10 DGCE Cc1ccc([C@@H](C)NC[C@]2(OC(C)C)CCOC2)c(O)c1C 903356354 CAHGGJOTURQJPG-CRAIPNDOSA-N 307.434 3.244 10 10 DGCE C[C@@H](NC(=O)Cc1cc(C2CC2)no1)c1ccc(N(C)C)cc1 832431740 TWTGUXXQUQACLE-GFCCVEGCSA-N 313.401 3.038 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CCCC[C@@H]2C2(O)CC2)c1O 839140327 PCRMVBLHHSPHOO-OAHLLOKOSA-N 323.820 3.128 10 10 DGCE CN(C)c1ccc(/C=C/CNCC2(CCO)CCCC2)cc1 835044385 ZHELWCXFYGIIJG-AATRIKPKSA-N 302.462 3.298 10 10 DGCE C[C@@H](NC(=O)c1ccc(NC2=NCCC2)cc1)c1ccccc1O 913764024 YIAIXOUCIAUWDG-CYBMUJFWSA-N 323.396 3.487 10 10 DGCE CCc1cccc(CN2CC[S@](=O)C(CC)(CC)C2)c1O 848902237 BFWGOGCMRSOFAO-NRFANRHFSA-N 309.475 3.078 10 10 DGCE CC(C)[C@H](NCc1cc(Cl)ccc1O)C1(CO)CC=CC1 843432887 MAULVDDEDWBVOW-INIZCTEOSA-N 309.837 3.489 10 10 DGCE C[C@H](N)c1ccc(CNCc2cc(Cl)cc(F)c2O)cc1 841028968 KCUVPVRIQTYWIJ-JTQLQIEISA-N 308.784 3.494 10 10 DGCE CC(C)(C)OC(=O)C1(C)CCN(Cc2ccccc2O)CC1 843428826 OOBUNJWCCMBSNX-UHFFFAOYSA-N 305.418 3.336 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1C[C@H]1C1CC1 840363895 FQJFNGLJGXEQNL-DOPJRALCSA-N 315.461 3.090 10 10 DGCE CCNCc1ccccc1NCc1cc(OC)c(OC)cc1O 841042406 GVMXDSLOJKZUGC-UHFFFAOYSA-N 316.401 3.131 10 10 DGCE FC(F)(F)[C@H]1CCC[C@@H](CNCc2ccc3c(c2)CCO3)O1 922698253 WPXCSGGFJVZAIY-DZGCQCFKSA-N 315.335 3.211 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)CC(C)(C)C3CC3)C2)cc1 855225323 JXJHKVIVSNIXTC-OAHLLOKOSA-N 316.445 3.216 10 10 DGCE C[C@@H](O)CCN[C@H](C)c1cc(Br)cc(Cl)c1O 756573918 SZBKKUVMIWZDCE-HTQZYQBOSA-N 322.630 3.230 10 10 DGCE COC[C@H](CC(C)(C)C)N[C@@H]1CCN(c2ccc(OC)cc2)C1 850485640 AIFVCLFJHVQLAZ-CVEARBPZSA-N 320.477 3.315 10 10 DGCE COc1ccnc(CNC/C=C/c2ccc(N(C)C)cc2)c1F 850381139 VBLUWQUZGUQJNZ-SNAWJCMRSA-N 315.392 3.098 10 10 DGCE CN(C)c1ccc(OCC2CC2)c(I)c1 694945076 SUWQXLDGSVDONY-UHFFFAOYSA-N 317.170 3.146 10 10 DGCE C[C@H](NC(=O)NCC(C)(C)C(C)(F)F)c1ccccc1O 869071742 NZMSCFXPUATECM-JTQLQIEISA-N 300.349 3.434 10 10 DGCE COc1ccc(O)c([C@@H](C)NC[C@@H]2c3ccccc3CN2C)c1 866564359 SYDVHRXLTBABPE-FZKQIMNGSA-N 312.413 3.238 10 10 DGCE Cc1nc(CCCC(=O)N2Cc3cccc(O)c3C2)cs1 871204362 YVSXKVKGCCOGQP-UHFFFAOYSA-N 302.399 3.022 10 10 DGCE COc1ccc(C2(C(=O)N3Cc4cccc(O)c4C3)CCC2)cc1 871201232 SGTHRJLISISBRI-UHFFFAOYSA-N 323.392 3.365 10 10 DGCE COC(=O)c1ccc(CNCc2ccc(N(C)C)cc2C)cc1 776175082 UNEPKNATMPUOGF-UHFFFAOYSA-N 312.413 3.137 10 10 DGCE Cc1cc(NCc2cc(C)c(C)cc2O)cc(OCCO)c1 775031242 CYPMXENBLUYOKO-UHFFFAOYSA-N 301.386 3.301 10 10 DGCE COc1ccc(N2CCN(C(=O)/C(C)=C\C(C)(C)C)CC2)cc1 771869210 VIHGLUHWIOQSRV-PFONDFGASA-N 316.445 3.336 10 10 DGCE CN(Cc1ccnn1-c1ccccc1)c1ccc2c(c1)OCO2 790917414 SYHAJDUFQWOMDC-UHFFFAOYSA-N 307.353 3.237 10 10 DGCE CN(C)c1ccc([C@@](C)(O)c2ncccc2Br)cc1 2120090732 GVOAGLUFSFCPNK-OAHLLOKOSA-N 321.218 3.166 10 10 DGCE CCN(CC)c1ccc(CNC(=O)c2cc(C)nc(C)c2)cc1 1350863585 BEBIFOWFPDQEFY-UHFFFAOYSA-N 311.429 3.475 10 10 DGCE [N-]=[N+]=NC[C@H]1CCN(C(=O)c2cc(Cl)nc(Cl)c2)C1 1912182120 XSRKORPFDKVSGE-SSDOTTSWSA-N 300.149 3.161 10 10 DGCE C[C@@H]1C[C@@](NCCCN=[N+]=[N-])(C(=O)O)c2ccsc2S1 1912197678 XMNNKPFEZJZTSH-PELKAZGASA-N 312.420 3.202 10 10 DGCE [N-]=[N+]=N[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 1912200423 HEYVDPXFOOUFIY-QMMMGPOBSA-N 321.189 3.067 10 10 DGCE CON(Cc1ccccc1)C(=O)c1ccc(N=NC(N)=O)cc1 1447539281 UDMCWUATGSAQJP-UHFFFAOYSA-N 312.329 3.053 10 10 DGCE C[C@@H](NC(=O)c1ccc2cccnc2n1)c1ccc(N(C)C)cc1 1529478818 GEQQKBOXUKSTFP-CYBMUJFWSA-N 320.396 3.187 10 10 DGCE COC[C@@H]1CC[C@@H](NCc2cccc(Br)c2O)C1 1918699135 FCEAWJYODDVSEI-ZYHUDNBSSA-N 314.223 3.059 10 10 DGCE CCN(C)c1ccc(CN[C@@H](CC(=O)OC)C(C)(C)C)cc1 1460833148 CWMPEJTXERSYDM-INIZCTEOSA-N 306.450 3.210 10 10 DGCE CCC1(NCc2cc(F)ccc2O)CN(C(=O)OC(C)(C)C)C1 1922218334 LVZBNDCABWEDCS-UHFFFAOYSA-N 324.396 3.020 10 10 DGCE O=C(NCc1c(O)cccc1O)[C@H]1C[C@@]12CCCc1ccccc12 1472064344 VDJQFMUNGRGNMC-OXQOHEQNSA-N 323.392 3.008 10 10 DGCE Cc1ccncc1/C=C\C(=O)N1CCOc2c(F)cc(F)cc21 1616246710 PMOBPUOIHZJYNI-IHWYPQMZSA-N 316.307 3.107 10 10 DGCE CN(C)c1ccc(CNC(=O)c2ccc(-c3cnc[nH]3)cc2)cc1 1540494206 GTWZJOWWPKGKFW-UHFFFAOYSA-N 320.396 3.073 10 10 DGCE COC(=O)/C=C\c1ccc(N2C[C@H](C)[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 1612509825 NGMRPFLRPUTNNY-SHYGTOARSA-N 318.373 3.262 10 10 DGCE Cc1ccccc1-n1c(C)cc(C(=O)N[C@@H](CO)C(C)C)c1C 1558863308 ROIBAUAQQASONK-KRWDZBQOSA-N 314.429 3.149 10 10 DGCE COc1ccc(CN[C@H](C)CNC(=O)[C@@H](C)C2CCC2)cc1C 1714247026 OIMHKJMVDZXCLP-CABCVRRESA-N 318.461 3.034 10 10 DGCE COc1ccc(O)c([C@@H](C)Nc2ncnc(-c3ccccc3)n2)c1 1559099268 MSPYVUMERBNQNB-GFCCVEGCSA-N 322.368 3.426 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)c1cccc2[nH]ccc12 1632223888 QJVZDERXLCTKHU-UHFFFAOYSA-N 300.745 3.457 10 10 DGCE CC(C)n1cnc(C(=O)NCc2c(O)ccc3ccccc23)c1 1635968478 BKCJCWYAPPFFOD-UHFFFAOYSA-N 309.369 3.253 10 10 DGCE C[C@@H](NC(=O)c1ccc2c(c1)OC(F)(F)O2)c1ccccc1O 1632247024 RIVSCBYUESYUOD-SECBINFHSA-N 321.279 3.205 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2ccc(C(F)(F)F)cn2)c1 1640796785 PAKHEZHAKZJYFP-UHFFFAOYSA-N 310.275 3.044 10 10 DGCE C/C(=C/C(=O)NCc1c(O)cccc1O)c1ccccc1Cl 1647269523 GJZRVRJLXRNTRN-LUAWRHEFSA-N 317.772 3.471 10 10 DGCE COc1ccccc1/C(C)=C/C(=O)N1Cc2cccc(O)c2C1 1643168967 LJWRCKQAEUNOLC-JLHYYAGUSA-N 309.365 3.347 10 10 DGCE CC(C)O[C@@H]1C[C@@H](NC(=O)N[C@@H](C)c2ccccc2O)C1(C)C 1671411297 SRCZIGICWKOSAW-APHBMKBZSA-N 320.433 3.345 10 10 DGCE CNC(=O)Nc1ccc(NCc2cccc(Cl)c2O)cc1 165011804 RTNOUFDVZCGDRG-UHFFFAOYSA-N 305.765 3.409 10 10 DGCE COc1cc(Br)cc(NCc2ccc(O)c(O)c2)c1 168946340 BQURWPXTXGKXMG-UHFFFAOYSA-N 324.174 3.481 10 10 DGCE COc1ccc(C2=C/C(=C\c3ccncc3)C(=O)O2)c(OC)c1 6396660 SEAPGRJICYQQPO-UKTHLTGXSA-N 309.321 3.080 10 10 DGCE CCOC(=O)CN(Cc1ccccc1)/N=N/c1ccc(O)cc1 1860481113 ZHOFENLKFIVVKE-VHEBQXMUSA-N 313.357 3.456 10 10 DGCE CCN[C@H](c1ccccc1O)C1(C)CN(C(=O)OC(C)(C)C)C1 1936973758 ICCPSHRWXAWNFS-OAHLLOKOSA-N 320.433 3.300 10 10 DGCE CN1C(=O)[C@@H](O)c2ccc(N(Cc3ccccc3)CC3CC3)cc21 1946862380 RNWXZFHDUNCAII-IBGZPJMESA-N 322.408 3.113 10 10 DGCE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H](C)N1CCCN=[N+]=[N-] 1962302922 DIUPSRAADJKSJO-FRRDWIJNSA-N 311.430 3.405 10 10 DGCE C[C@H]1C[C@H](C)N(C(=O)OC(C)(C)C)CCN1CCCN=[N+]=[N-] 1962302512 ZCWYTZULZBUEGL-STQMWFEESA-N 311.430 3.407 10 10 DGCE COc1ccc(Br)c(CN[C@@H]2CC[C@H]3C[C@@H]32)c1O 1964075770 COBPCAINTYEIBA-HOTUBEGUSA-N 312.207 3.051 10 10 DGCE CO[C@@H]1CN(c2ccc(CNC(C)C)cc2Cl)C[C@@H]1F 2146483475 GCDVHVSRFLLVLX-DZGCQCFKSA-N 300.805 3.011 10 10 DGCE C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1Cc1ccc(N)cc1 1986116175 UGLPDKRWMOODOO-XJKSGUPXSA-N 319.449 3.146 10 10 DGCE CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1COc1ccc(N)cc1 1992437813 QPRKAMWLQAARET-AWEZNQCLSA-N 318.417 3.437 10 10 DGCE CCc1cccc(CNCc2nn(C)c(Cl)c2Cl)c1O 2150750846 UNPLTEDFLGQKOV-UHFFFAOYSA-N 314.216 3.285 10 10 DGCE CN(Cc1ccc(Br)cc1O)[C@@H]1CCC[C@H]1F 2006800154 AYGSGLBCSQLBEN-VXGBXAGGSA-N 302.187 3.477 10 10 DGCE C[C@@]1(C(F)F)C[C@H]1NCc1ccc(Br)cc1O 2008238040 QCDVHXBLYWILNS-ZYHUDNBSSA-N 306.150 3.288 10 10 DGCE CN1CCc2cc([C@H](O)[C@H](N)c3csc(Cl)c3)ccc21 2154437199 TWNQKICXEYZXAM-CABCVRRESA-N 308.834 3.127 10 10 DGCE C[C@@H]1NC[C@@H](C)N(Cc2cc(Cl)cc(Cl)c2O)[C@@H]1C 401210517 MXEDUVLOWFTBQX-KXUCPTDWSA-N 303.233 3.270 10 10 DGCE Brc1cc(CNC2CC2)ccc1N1C[C@@H]2C[C@H]2C1 379547743 HMTXWWVJFDCBFE-RYUDHWBXSA-N 307.235 3.157 10 10 DGCE CCOCCCN(C)Cc1cc(Br)cc(C)c1O 382798346 PULYMEJRVHIIHL-UHFFFAOYSA-N 316.239 3.322 10 10 DGCE CC[C@H](N[C@@H]1CC[C@H]1OC)c1cc(Br)ccc1O 724200198 UYXLPVDHCGCUOB-OUCADQQQSA-N 314.223 3.373 10 10 DGCE COc1ccc(Br)c(CN2CCC[C@@H]2C)c1O 1231548219 PYYMBOCQIPNJTJ-VIFPVBQESA-N 300.196 3.148 10 10 DGCE Oc1cccc(Br)c1CN1C[C@H]2CC[C@@](F)(C2)C1 2049318351 QEOTVXFFLFXUBF-IINYFYTJSA-N 314.198 3.479 10 10 DGCE C[C@H](N)c1ccc(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@H]32)cc1Br 2053731497 WKYOMPVZTNEWKI-GLBWXDBNSA-N 307.235 3.313 10 10 DGCE C[C@@H](NCc1ccccc1O)c1ccncc1Br 2056550924 ZZODHFUOGIUVQT-SNVBAGLBSA-N 307.191 3.401 10 10 DGCE CO[C@]1(CN(C)c2ccc([C@@H](C)O)cc2Cl)CCSC1 2186186031 PPZAXJCUUUTWRQ-ABAIWWIYSA-N 315.866 3.352 10 10 DGCE Nc1ccc(CCOc2cccc(Br)c2N)cc1 2078137860 QJUFZKZUEFTCJV-UHFFFAOYSA-N 307.191 3.235 10 10 DGCE CC[C@H]1CN(c2ccc(OC)cc2Br)CCCN1 2221626396 ODLWGUJQEPQYIF-NSHDSACASA-N 313.239 3.036 10 10 DGCE OCc1cnc(Sc2nc(-c3ccncc3)cs2)s1 2225897313 OHPYIDZBQZPUGQ-UHFFFAOYSA-N 307.425 3.305 10 10 DGCE Cc1cc(C(F)(F)F)sc1[C@@H](NN)c1ccccc1O 2295050063 ROBCTPNUOOLRQL-NSHDSACASA-N 302.321 3.334 10 10 DGCE CC(=O)Nc1ccc(N=NN2CCN(c3ccccc3)CC2)cc1 2330249252 MTGRUMLBIJMOBW-UHFFFAOYSA-N 323.400 3.466 10 10 DGCE C[C@@H]1CCN(C(=O)/C=C\c2cnccn2)c2ccccc2S1 104278635 GOJILPGCUOYYPJ-FMFIFOJESA-N 311.410 3.407 10 10 DGCE C[C@H]1CN(Cc2ccc(N)cc2)C[C@@H](C)N1C(=O)OC(C)(C)C 113695075 YZHLBOUGUWVGJW-OKILXGFUSA-N 319.449 3.099 10 10 DGCE CCN(C)c1ccc([C@H](C)N[C@@H]2Cc3ccccc3[C@@H]2O)cc1 178354398 APFGAUWTOHXDKY-KPOBHBOGSA-N 310.441 3.452 10 10 DGCE CCN[C@H](C)c1ccc(N2C[C@H]3[C@@H](O)CC[C@H]3C2)cc1Cl 123839434 BHBGUHZNVDXRMP-LRHZJYQRSA-N 308.853 3.218 10 10 DGCE COc1ccc(CN(C)c2cc(OC)c(OC)c(OC)c2)cc1 180757590 CZLHUUAXDBFNBA-UHFFFAOYSA-N 317.385 3.357 10 10 DGCE Cc1ccc(N2CCC(N[C@@H](C)c3ccccc3O)CC2)nc1 183528525 VOBKKRCEOYLQKN-HNNXBMFYSA-N 311.429 3.415 10 10 DGCE CCN(Cc1ccc(N)cc1)S(=O)(=O)c1cccc(Cl)c1 35361237 HREPEYQGJSQUSL-UHFFFAOYSA-N 324.833 3.133 10 10 DGCE COc1ccc(N2CCN([C@H](C)c3cccc(C#N)c3)CC2)cc1 189345348 GDVBABHRNALWOX-MRXNPFEDSA-N 321.424 3.450 10 10 DGCE CNCc1ccc(N2C[C@@H](C)OC[C@@H]2C)c(C(F)(F)F)c1 227706395 IIBILLJLPANQPF-WDEREUQCSA-N 302.340 3.038 10 10 DGCE COc1ccc(CN2C[C@H](c3ccccc3)OC[C@H]2C)c(O)c1 130685644 LHMNLJDFEOMUKD-AUUYWEPGSA-N 313.397 3.363 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1c2ccccc2C[C@H]1C 96643300 SETBHSKMVFBLMR-QWHCGFSZSA-N 311.381 3.254 10 10 DGCE COc1ccc(N2CC[C@H](N)[C@@H](C)[C@@H]2C)cc1Br 93036022 CTOQYXRMXQSAHJ-KWBADKCTSA-N 313.239 3.020 10 10 DGCE CCN(CC)c1ccc(CN[C@@H]2C[C@@H](C)N(C)C[C@H]2C)cc1 247023035 LWCLQUVWULHIDA-GPMSIDNRSA-N 303.494 3.351 10 10 DGCE COc1ccccc1[C@@H](O)CN[C@@H](C)c1c(C)cc(C)cc1O 284033542 JKFHWHRWMTZFRL-YOEHRIQHSA-N 315.413 3.402 10 10 DGCE CCN1CCc2cc([C@H](N)[C@H]3SCCS[C@@H]3C)ccc21 2163073351 ICPMCWPVSTYIGZ-RLCCDNCMSA-N 308.516 3.306 10 10 DGCE C[C@@H]1CC[C@@H](C(=O)NCc2cc(Br)ccc2O)C1 804738328 MCWVHKQOTUQCEX-NXEZZACHSA-N 312.207 3.207 10 10 DGCE C[C@H]1C[C@H](N(C)Cc2cc(Cl)c(F)cc2O)CCN1C 295521329 ZZTBNKOZFVPMKJ-CMPLNLGQSA-N 300.805 3.099 10 10 DGCE CNCc1ccc(N2CCS[C@@H](C(F)(F)F)C2)c(C)c1 721388604 IDYNPAUEXSXTFY-CYBMUJFWSA-N 304.381 3.199 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)C(C)(C)C(C)(F)F)c1 825736548 CEPOLRARXQVMTE-SECBINFHSA-N 301.333 3.259 10 10 DGCE COc1cc(CN(C)c2ccc([C@H](C)O)cc2Cl)sn1 722395616 FXPMTFAMWUBMPG-VIFPVBQESA-N 312.822 3.495 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCC[C@@H](N(C)C)CC2)cc1 835049257 PIUQKFIJCGGTAM-LZCIBIBXSA-N 301.478 3.182 10 10 DGCE CC[C@H](CC(F)F)C(=O)N[C@@H](C)c1cc(OC)ccc1O 837485958 SIEBGBPIWVHERH-VHSXEESVSA-N 301.333 3.259 10 10 DGCE COc1cccc([C@@H](C)NCCCc2c(C)noc2C)c1O 846151611 ZTKLKMUPIURCDJ-LLVKDONJSA-N 304.390 3.289 10 10 DGCE Cc1cc(CN2[C@H](C(=O)O)C[C@H]3CCCC[C@H]32)ccc1N(C)C 846265610 NGAJROZYFLUSHT-NXHRZFHOSA-N 316.445 3.279 10 10 DGCE COc1ccccc1[C@@H](O)CN[C@@H](C)c1cc(F)cc(F)c1O 756459496 NWJIRRQZJCSGHS-BONVTDFDSA-N 323.339 3.063 10 10 DGCE CC(C)[C@H](CN(C)C)Nc1c(N)cccc1Br 697452532 PUXYITRBKBMSOG-LBPRGKRZSA-N 300.244 3.029 10 10 DGCE c1ccc([C@@H]2CCCN2Cc2ccc(N3CCOCC3)cc2)nc1 768356354 XGKOJHMTZZZZQB-FQEVSTJZSA-N 323.440 3.255 10 10 DGCE CSCCCCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 773305119 HNGVWCVDZAMJFU-CYBMUJFWSA-N 309.479 3.256 10 10 DGCE CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](C)[C@H](F)C2)cc1 778620176 JCPSHWLOCRADRQ-RHSMWYFYSA-N 321.440 3.422 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2C[C@H](C)O[C@@H](C)[C@H]2C)c1O 782630228 ZAKQSBGVDKLPPN-UMNHJUIQSA-N 311.809 3.246 10 10 DGCE CC(C)[C@@H](NCc1cc(F)cc(F)c1O)C1(CO)CC=CC1 895083348 DJFAWSUZIYYJSG-MRXNPFEDSA-N 311.372 3.113 10 10 DGCE CCCN(CCC)c1ccc(CN[C@H](C(=O)NC)C(C)C)cc1 785588038 AQXURSFSACDEOW-SFHVURJKSA-N 319.493 3.173 10 10 DGCE C[C@@]1(CNCc2ccc(F)c(F)c2O)CCOC2(CCC2)C1 895822026 MFQSHLGVDSJLDR-MRXNPFEDSA-N 311.372 3.499 10 10 DGCE C[C@@H]1CN(C)CCN(Cc2cc(Cl)cc(Cl)c2O)C1 707531299 SLQFZCGNSZGMHC-SNVBAGLBSA-N 303.233 3.083 10 10 DGCE O=C(NCc1c(O)cccc1O)C1(c2cccc(Cl)c2)CC1 1178910218 BJISBMAVUSZADU-UHFFFAOYSA-N 317.772 3.099 10 10 DGCE CCCN[C@]1(CO)C[C@@H](Sc2nccs2)CC[C@@H]1C 2119121004 PQGDCMHHTHBNDY-OBJOEFQTSA-N 300.493 3.155 10 10 DGCE CC(C)(C)OC(=O)NCc1ccc(Oc2ccc(N)cn2)cc1 216027173 RSHNWEXEMJDIBJ-UHFFFAOYSA-N 315.373 3.481 10 10 DGCE C[C@@H](NC(=O)c1cc(-c2cccs2)[nH]n1)c1ccccc1O 1454805535 LAVHBMAJCIMVGF-SNVBAGLBSA-N 313.382 3.335 10 10 DGCE Cc1cc(CNC(=O)c2cncs2)c(C)n1-c1ccccc1 1534765672 HPIKAVVWIJFAIP-UHFFFAOYSA-N 311.410 3.481 10 10 DGCE CN(Cc1ccccc1O)c1nnc(C(C)(C)C)n1C1CC1 1617937324 JAVFLANZUJHLOT-UHFFFAOYSA-N 300.406 3.253 10 10 DGCE COc1ccc(CN[C@H](C)CNC(=O)C2(C)CCCC2)cc1C 1491539346 JADXUULXBSGGCI-OAHLLOKOSA-N 318.461 3.178 10 10 DGCE CCC(C)(C)C(=O)N[C@H]1C[C@H](NCc2ccc(OC)c(C)c2)C1 1490921471 DDFLGSFTGDUECJ-WKILWMFISA-N 318.461 3.177 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)NC(C)(C)c2ncon2)cc1 1636032871 QROAFVLLQASXIE-UHFFFAOYSA-N 324.384 3.142 10 10 DGCE Cc1ncc(NC(=O)c2cc3cc(O)c(O)cc3s2)s1 1631178215 CJTXOWJJBSDLGA-UHFFFAOYSA-N 306.368 3.330 10 10 DGCE CCCNCc1ccc(N2CCN(CC)[C@H](C)C2)c(Cl)c1 164074842 RXOJLONGYNJGFF-CQSZACIVSA-N 309.885 3.370 10 10 DGCE CC(C)NCc1ccc(N2CCN3CCC[C@@H]3C2)c(Cl)c1 164159058 CVFDMCLJMYCUGY-OAHLLOKOSA-N 307.869 3.122 10 10 DGCE CC(C)c1nnc(NC(=O)/C=C\c2ccc(N(C)C)cc2)s1 207539198 ANZXZUFAZFVFPZ-YFHOEESVSA-N 316.430 3.379 10 10 DGCE C[C@@H]1[C@H](CNCc2c(O)cccc2Br)C1(F)F 1947973745 VIKZISIJBLQNTQ-APPZFPTMSA-N 306.150 3.146 10 10 DGCE Oc1ccc(Br)cc1CNCc1ncoc1C1CC1 1971349241 WUCPMFDKJOESKS-UHFFFAOYSA-N 323.190 3.310 10 10 DGCE C[C@@H]1N(Cc2ccccc2)CC[C@]1(N)c1ccc(N(C)C)cc1 1977960739 WGHWNYWEPQHTHC-OXJNMPFZSA-N 309.457 3.201 10 10 DGCE CN(Cc1ccc(N)cc1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 1977921658 XOPFUQHWKMSAKY-MRXNPFEDSA-N 319.449 3.004 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC1CCN(CCF)CC1 2154505526 NWGCYUYHBZGMHV-UHFFFAOYSA-N 321.223 3.223 10 10 DGCE Oc1c(F)cc(F)cc1CN[C@@H]1CCC=C1Br 2020061088 YVZSQMVUJGQRNX-LLVKDONJSA-N 304.134 3.201 10 10 DGCE CC1=C(Br)CN(c2ccc([C@H](C)O)c(O)c2)CC1 2034765768 YHKOVEVAQWJQMY-JTQLQIEISA-N 312.207 3.325 10 10 DGCE Cc1n[nH]c(C)c1NCc1cc(Br)cc(F)c1O 715810342 AGRZJXFYUBTZBJ-UHFFFAOYSA-N 314.158 3.246 10 10 DGCE Oc1c(Cn2cc(Br)cn2)cccc1C(F)(F)F 2069904879 JURAZIJJBISNOO-UHFFFAOYSA-N 321.096 3.418 10 10 DGCE NCc1c(C2CC2)nn(Cc2cccc(F)c2O)c1C(F)F 2078984523 UYPCBMDMQRDABJ-UHFFFAOYSA-N 311.307 3.050 10 10 DGCE Cc1nn(-c2ccc(O)c(O)c2)c(Br)c1C(C)C 2079694753 GEMKWVWGSKMVHE-UHFFFAOYSA-N 311.179 3.478 10 10 DGCE COC1(CN(C)c2cc(Cl)c(CN)cc2F)CCCC1 2177384599 BIDKFMGCWCAPJH-UHFFFAOYSA-N 300.805 3.333 10 10 DGCE CNCc1ccc(N(C)C[C@H]2CC23CC3)cc1Br 2047210191 VSRYYOJMEFMPRZ-GFCCVEGCSA-N 309.251 3.405 10 10 DGCE CCC[C@@H]1COCCN1Cc1c(O)cccc1Br 2050898633 XPDFLXBIHNNRAX-LLVKDONJSA-N 314.223 3.156 10 10 DGCE CCNCc1ccc(N2CCC[C@@H]2CF)c(Br)c1 2051768149 YDIYYVQOAIYYEZ-GFCCVEGCSA-N 315.230 3.497 10 10 DGCE C[C@@]1(C(F)F)CCN(c2ccc(CO)c(Br)c2)C1 2054240358 JLTCCDJCNMQIEA-CYBMUJFWSA-N 320.177 3.423 10 10 DGCE CO[C@@H](C)CCN(C)Cc1cc(Br)cc(F)c1O 2059359643 OPKCTVZDHHILHO-VIFPVBQESA-N 320.202 3.151 10 10 DGCE Oc1cccc(Br)c1CN[C@@H]1CC12CC(F)(F)C2 2069063291 RVAWNCRGPMXKNA-LLVKDONJSA-N 318.161 3.432 10 10 DGCE COC[C@]1(C)CCCN1Cc1ccc(Br)cc1O 2084138339 OZAUDBRDEPSLQC-AWEZNQCLSA-N 314.223 3.156 10 10 DGCE Cc1ccnc([C@@H](N)c2ccc(N(C)C)cc2)c1Br 2106799262 ULXZBNHJYAEXIC-AWEZNQCLSA-N 320.234 3.267 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)c1cscc1Br 2213588353 QIMPCADGEUETSV-RKDXNWHRSA-N 315.196 3.472 10 10 DGCE COc1ccc(Br)c(CN2C[C@@H](C)[C@@H](C)C2)c1O 2220487869 ZTBXEQLESLOEPX-AOOOYVTPSA-N 314.223 3.251 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@H]1NC(=O)c1cc2c(s1)CCSC2 2234166671 PDGZJCCDLBHIBB-ZJUUUORDSA-N 308.432 3.499 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)Nc1nc(C2CC2)cs1 2307996787 USKYFFKSSFKAQJ-UHFFFAOYSA-N 302.355 3.084 10 10 DGCE CCCC(=O)CN(C)Cc1ccc(C)c(Br)c1O 2327611831 GTXWLGZAGFGTPD-UHFFFAOYSA-N 314.223 3.264 10 10 DGCE CC(C)(C)OC(=O)Nc1c([C@H](CO)N=[N+]=[N-])cccc1[N+](=O)[O-] 1951355970 KSEZXZXNAIYCEI-VIFPVBQESA-N 323.309 3.286 10 10 DGCE Cc1cc(O)c(O)cc1CCNC(=O)c1ccc(Cl)cc1 170186693 OGMMKDIGLVCEBU-UHFFFAOYSA-N 305.761 3.032 10 10 DGCE CCOc1ccc(O)c(CN[C@H](COC)c2ccc(CC)o2)c1 174476102 ZMHFXTXYDUKKNC-MRXNPFEDSA-N 319.401 3.424 10 10 DGCE CCCN[C@H]1C(=O)Nc2cc(N(C)Cc3ccccc3)ccc21 302869446 UTULPZFPVNKACV-GOSISDBHSA-N 309.413 3.316 10 10 DGCE COc1ccc(N2CC[C@@H](O)C[C@H]2C(F)(F)F)cc1Cl 2361443941 HRRYQASJPCQZCX-SKDRFNHKSA-N 309.715 3.241 10 10 DGCE CO[C@H]1CCCN(C(=O)c2cc(C)n(-c3ccccc3)c2C)C1 76248416 YWEAAPVBXJXFNQ-KRWDZBQOSA-N 312.413 3.345 10 10 DGCE Cc1cnn([C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 123024736 HVSNAUDMNOTSCM-OAHLLOKOSA-N 305.809 3.388 10 10 DGCE Cc1ccc(C[C@@H](C)NC(=O)CCc2ccc(N)cc2)s1 80226162 JRUVPWYUYUMDGP-GFCCVEGCSA-N 302.443 3.319 10 10 DGCE CCC[C@H]1CN(c2cc(Cl)c(OC)cc2OC)[C@@H](C)CN1 225651295 HIYUSCRKQSWWSM-RYUDHWBXSA-N 312.841 3.324 10 10 DGCE O=C(NCc1cccc(-c2ccccn2)c1)c1cccc(O)c1O 193144587 CWFQQDRYZVAFRF-UHFFFAOYSA-N 320.348 3.090 10 10 DGCE CN[C@@H]1C(=O)Nc2cc(N(C)[C@H](C)C(C)(C)C)c(Cl)cc21 92751293 VEXDUGJNSQSAKB-OTYXRUKQSA-N 309.841 3.423 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCCC1(F)F 806822293 ZAJOQCWZULJQEH-AWEZNQCLSA-N 311.376 3.048 10 10 DGCE CC1CCN(c2ccc(CNC(=O)[C@H]3C[C@@H]3C(F)F)cc2)CC1 801153966 GWYVZFUDODACDU-HOTGVXAUSA-N 322.399 3.440 10 10 DGCE CC(C)[C@@H](C)C(=O)NCc1cc(Br)ccc1O 804735825 GHEGYCMJBHEMAX-SECBINFHSA-N 300.196 3.063 10 10 DGCE C[C@H]1[C@H](C)CN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 816647871 ZHCALMXNIDPVJY-KGLIPLIRSA-N 303.406 3.425 10 10 DGCE COc1cccc(O)c1CN[C@H](c1ccccc1)[C@H](O)C(C)C 827526142 HKXBEHODUBRKQR-RTBURBONSA-N 315.413 3.249 10 10 DGCE FCC[C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1 827270811 GNTCCDCFIZWQBJ-MRXNPFEDSA-N 306.425 3.095 10 10 DGCE Oc1cc(Br)ccc1CN1CC[C@@]2(C1)CC2(F)F 826142650 HFSNNTYEOBZOIR-LBPRGKRZSA-N 318.161 3.386 10 10 DGCE Oc1cc(F)c(Cl)cc1CN[C@@H]1C[C@H](O)c2ccccc21 827172351 RIAMONHTGZNRPA-ZBFHGGJFSA-N 307.752 3.453 10 10 DGCE c1cnc2c(n1)CCN(Cc1ccc(N3CCCCC3)cc1)C2 827693157 ZAOPLLOXZSGYGL-UHFFFAOYSA-N 308.429 3.025 10 10 DGCE COc1ccc(CNC(=O)N[C@@H](C)c2cccc(C)c2)c(O)c1 836670498 XJVCXFYJGSOYJO-ZDUSSCGKSA-N 314.385 3.270 10 10 DGCE CC[C@H](CN[C@H](C)c1cccc(OC)c1O)C(=O)OC(C)(C)C 903352244 CCVJWUASWAGISG-CHWSQXEVSA-N 323.433 3.419 10 10 DGCE CC[C@H]1CN(CC)CCN1C/C=C\c1ccc(N(C)C)cc1 835054960 OMMYGPAUZARBMF-ZEVQVBBLSA-N 301.478 3.182 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H]1CCCc2n[nH]cc21 840893571 LSIXVXPUXLNSJB-KBXCAEBGSA-N 312.461 3.382 10 10 DGCE CN(C)c1ccc(/C=C\CNCc2ccc(CN)cc2F)cc1 844907811 OBTAAQWFUYEWGP-ARJAWSKDSA-N 313.420 3.153 10 10 DGCE Nc1ccc(CCNC(=O)NCc2ccc(C3CC3)cc2)cc1 841889079 MXYURZVFKBQWNQ-UHFFFAOYSA-N 309.413 3.188 10 10 DGCE CC[C@H](NC[C@H]1CN(C2CC2)C(=O)O1)c1cccc(Cl)c1O 848574322 RTWRPKBDGUCXDE-FZMZJTMJSA-N 324.808 3.070 10 10 DGCE CN(C)c1ccc(/C=C\CNCc2cc(C3CC3)n(C)n2)cc1 922953710 SARYBCIJEWAACJ-PLNGDYQASA-N 310.445 3.167 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCC(C)(C)C3)C2)cc1 855224548 FWNPMBWYAHNRRK-CABCVRRESA-N 316.445 3.216 10 10 DGCE COc1ccc(N2CCC(NCC[C@H]3CC3(F)F)CC2)cc1 856802208 DHJHCZLPIAMMDB-ZDUSSCGKSA-N 310.388 3.299 10 10 DGCE COc1cc(N2CCC[C@H](CCF)C2)c([N+](=O)[O-])cc1OC 853855667 ZSZQFMRFEQVDRW-LLVKDONJSA-N 312.341 3.188 10 10 DGCE COc1cc(CNC[C@H]2C[C@@H](OC)C2)c(O)c(C(C)(C)C)c1 858331475 YBMIIWTYKIXZMR-XBXGTLAGSA-N 307.434 3.213 10 10 DGCE CC[C@H](N[C@H](CO)[C@H]1CCC[C@@H](OC)C1)c1ccc(C)cc1O 850501809 POIIIHFHXCFGCK-CIRFHOKZSA-N 321.461 3.307 10 10 DGCE COc1cccc([C@H](C)N[C@@H]2COc3cccc(C)c3C2)c1O 858459941 OTRKZGGXOAOYJJ-KBPBESRZSA-N 313.397 3.364 10 10 DGCE CSc1nc(C(F)F)cc(N2Cc3cccc(O)c3C2)n1 866116856 CNLOQEIQYXRXFW-UHFFFAOYSA-N 309.341 3.362 10 10 DGCE CN(C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(-c2nccs2)cc1 930709817 IJDPOEDNKYMSGC-KBMXLJTQSA-N 316.426 3.050 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)NCCc1ccc[nH]1 772836587 WYVQZJGOCLUNNT-UHFFFAOYSA-N 313.426 3.456 10 10 DGCE COC(=O)c1cnc(SCc2nc3c(o2)CCCC3)s1 871673222 HHDWTTIKWQZYLK-UHFFFAOYSA-N 310.400 3.089 10 10 DGCE Cc1ccc(N(C)C(=O)/C=C\c2cncc(O)c2)cc1Cl 770490723 MFQYHGVVYYYCFF-XQRVVYSFSA-N 302.761 3.425 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2[C@H]3CCC[C@H]32)cc1 787400640 LTARPYVTOHJGDY-PIIMJCKOSA-N 315.461 3.473 10 10 DGCE CN(C)c1ccc(CN[C@@H]2CCCC[C@H]2[C@H]2CCOC2)cc1 788978018 LRHICTNWDQXQCT-YTQUADARSA-N 302.462 3.438 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)Nc2scnc2C2CC2)cc1 1138025582 NIZUSEREULSLDZ-UHFFFAOYSA-N 315.358 3.435 10 10 DGCE Nc1ccc(CNC(=O)CSc2ccccc2Cl)cc1 700665332 ZRSGVNLIUYAAJZ-UHFFFAOYSA-N 306.818 3.331 10 10 DGCE C[C@@](NCCCN=[N+]=[N-])(C(=O)O)c1ccc(F)c(Cl)c1 90258785 QSMXBFVJKLRWEI-LBPRGKRZSA-N 300.721 3.069 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2)cc1 1156206091 NETSDZUYDJMCCT-LSDHHAIUSA-N 308.341 3.135 10 10 DGCE Cc1cc(C(=O)NCc2cc(O)ccc2O)c(C)cc1Cl 1303225881 QMCZXPCWZNBJID-UHFFFAOYSA-N 305.761 3.298 10 10 DGCE CN(C)c1ccc([C@](C)(O)c2ncccc2Br)cc1 2120090731 GVOAGLUFSFCPNK-HNNXBMFYSA-N 321.218 3.166 10 10 DGCE CC(C)Cn1cc(NC(=O)NCc2cccc(Cl)c2O)cn1 1333007936 AUHSAHAXARPSEC-UHFFFAOYSA-N 322.796 3.220 10 10 DGCE CCN[C@H](c1ccccc1O)[C@H]1C[C@@H](C)N1C(=O)OC(C)(C)C 1913596153 PYOZVKCMFGHKGB-XNRPHZJLSA-N 320.433 3.441 10 10 DGCE C[C@H](N)c1ccc(N2CC3(C2)CC3(F)F)cc1Br 1914967789 CSPLBEQPGIUFQE-QMMMGPOBSA-N 317.177 3.314 10 10 DGCE Cc1oc2ccccc2c1CNC(=O)Cc1ccc(O)c(O)c1 1447359762 PLNUTXNKQVMFKY-UHFFFAOYSA-N 311.337 3.011 10 10 DGCE COc1ccc(CNC(=O)C/C=C\Cc2ccccc2)c(O)c1 1467469490 ACAADOFOUZZHOB-WAYWQWQTSA-N 311.381 3.206 10 10 DGCE Cc1ccc(O)c(CNC(=O)/C=C/c2ccc(Cl)nc2)c1 1470257717 LBWCNSDACDWAKX-QPJJXVBHSA-N 302.761 3.079 10 10 DGCE O=C(NCc1cc(Cl)cc(Cl)c1O)c1cc(Cl)no1 1638305206 FWWFINLOCJLGIU-UHFFFAOYSA-N 321.547 3.270 10 10 DGCE Cc1ccc2oc(C(=O)NCc3cc(Cl)ccc3O)cc2n1 1639965096 CIFUWSVAUWAGRA-UHFFFAOYSA-N 316.744 3.425 10 10 DGCE C[C@H](NC(=O)c1cnccc1C(F)(F)F)c1ccccc1O 1632255380 QBKVLDWBQUUCLM-VIFPVBQESA-N 310.275 3.297 10 10 DGCE CC(C)(C)OC(=O)N[C@@H](C1CCC1)[C@H](N)c1ccccc1O 1928479877 ANQQQZQCLLTEML-CABCVRRESA-N 306.406 3.085 10 10 DGCE Cc1cccc(C(=O)N[C@@H](C)c2ccccc2O)c1[N+](=O)[O-] 1643741787 AECGCLKQFWWQET-NSHDSACASA-N 300.314 3.100 10 10 DGCE COc1cncc(C(=O)NCc2c(O)ccc3ccccc23)c1C 1652709290 YMOVLXYZDBKAEL-UHFFFAOYSA-N 322.364 3.187 10 10 DGCE c1ccc2c(c1)CO[C@H](CNCc1ccc3c(c1)CCCO3)C2 1656709404 NVFPWSOQAJTKTD-IBGZPJMESA-N 309.409 3.243 10 10 DGCE COc1ccc(CN[C@H](C)CNC(=O)[C@H](C)C(C)(C)C)cc1C 1662263150 PTYOCWNIKBOZGN-CABCVRRESA-N 320.477 3.280 10 10 DGCE CSC[C@H](C)CNCc1cc(Br)ccc1O 164033821 GXFMJYAMFISHNM-SECBINFHSA-N 304.253 3.243 10 10 DGCE CN(C)c1ccc([C@@H]2CN(Cc3ccc(N)cc3)C(=O)O2)cc1 585898062 WXKFPBVGPAOONL-KRWDZBQOSA-N 311.385 3.028 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H](CC[C@@H](N)c2ccccc2O)C1 1936986446 HYGXCEKENCMGHH-UKRRQHHQSA-N 320.433 3.429 10 10 DGCE Oc1c(F)cc(Br)cc1CNC1[C@@H]2CCC[C@@H]12 1945055905 HTGQWDFZCKOTAZ-NXEZZACHSA-N 300.171 3.182 10 10 DGCE Cc1ccc([C@@H](C)N[C@@H]2CCCC3(CC2)OCCO3)c(O)c1 1967523697 ONEYUVPWSNYRIB-HUUCEWRRSA-N 305.418 3.427 10 10 DGCE CN(C)c1ccc(C=CC(=O)NCCC=CBr)cc1 1974445592 CJENONDCFTUXPS-UHFFFAOYSA-N 323.234 3.181 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H](NCc2ccccc2O)C12CCC2 1988282446 PXFSEJHIZAQGCS-OAHLLOKOSA-N 318.417 3.024 10 10 DGCE CCCN(CCOC)c1ccc([C@@H](C)N)cc1Br 2036714417 KJKGHMOCUFHYOZ-LLVKDONJSA-N 315.255 3.332 10 10 DGCE C[C@H](O)c1ccc(N2C[C@H]3C[C@H]2[C@H]2C[C@H]32)cc1Br 2041509969 AGOHZSALKXPWCT-LLSOINDXSA-N 308.219 3.347 10 10 DGCE CN[C@H]1CCCN(c2ccc(OC(F)(F)F)c(Cl)c2)C1 401252292 COHGZPZJVCMNBL-VIFPVBQESA-N 308.731 3.427 10 10 DGCE CCNCc1ccc(N2CCC=C(Br)C2)c(F)c1 404401710 OXDVCNKEKIXBJA-UHFFFAOYSA-N 313.214 3.424 10 10 DGCE C[C@H]1CCN(c2ccc([C@H](C)N)c(Br)c2)CCO1 720430657 GIXNJBATQVCTSX-QWRGUYRKSA-N 313.239 3.084 10 10 DGCE COc1ccc(CNCc2csc(C(F)F)n2)c(O)c1 2188736584 OTXRPCILYCBRKT-UHFFFAOYSA-N 300.330 3.085 10 10 DGCE Oc1ccc(Br)cc1CN1C[C@H]2CC[C@@](F)(C2)C1 2049317544 FEYCXHIIGHNTOF-IINYFYTJSA-N 314.198 3.479 10 10 DGCE C[C@@H]1CC(F)(F)CN1c1cc(Br)c(CN)cc1F 2052001018 OIPFPDYAKUFBBV-SSDOTTSWSA-N 323.156 3.281 10 10 DGCE Cc1cc(CN)ccc1N1C[C@](C)(F)[C@@](C)(Br)C1 2084852583 QCBKPBJKZBHWMT-KBPBESRZSA-N 315.230 3.156 10 10 DGCE C[C@@H](N)c1ccc(N(C)Cc2cc(Br)cn2C)cc1 2114689502 DPPNVSHMJFIPRN-LLVKDONJSA-N 322.250 3.444 10 10 DGCE CC(C)NCc1ccc(N(C)C2CSCCSC2)cc1 2237062224 ZXWTXQYDAXOQCO-UHFFFAOYSA-N 310.532 3.469 10 10 DGCE Cc1ncc(Br)cc1OCCc1ccc(N)cc1 2254043772 XRTBLEVGJHNOES-UHFFFAOYSA-N 307.191 3.356 10 10 DGCE C[C@@H]1CCCN(C2=NC(=O)C(=Cc3ccc(O)cc3)S2)C1 2293345693 DULXBHJAQXWLMK-LLVKDONJSA-N 302.399 3.094 10 10 DGCE Cc1sc([C@H](O)Cc2ccc(N)cc2)nc1C(F)(F)F 2295486668 ZMBAORNYVLEFBV-SNVBAGLBSA-N 302.321 3.329 10 10 DGCE CN(C(=O)/C=C\c1cnccn1)c1cc(Cl)cc(Cl)c1 491826805 BOOBSULPJSJDTI-IHWYPQMZSA-N 308.168 3.460 10 10 DGCE O=C(O)Cc1nc2ccccn2c1N=Nc1ccccc1C(=O)O 2320767763 NHCRBMVTYIZPQO-UHFFFAOYSA-N 324.296 3.075 10 10 DGCE CCc1ccc(C=C2SC(=S)N([C@@H](CC)CO)C2=O)cc1 2323802727 GELCHMQLDZGLLK-ZDUSSCGKSA-N 321.467 3.221 10 10 DGCE C[C@H](N)c1ccc(N(C)CC(F)(F)F)c(Br)c1 61695871 SUIVNSDUDASZGO-ZETCQYMHSA-N 311.145 3.467 10 10 DGCE COc1ccc(N2CCN(Cc3ccccc3)CC2)c(F)c1 71711606 BSUWJTDRRSSZMD-UHFFFAOYSA-N 300.377 3.157 10 10 DGCE N[C@@H](CC(F)(F)F)c1ccc(Br)c(F)c1O 95706325 AGFUQHSSXBAKDD-LURJTMIESA-N 302.065 3.246 10 10 DGCE C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCc2ccc(O)c(O)c2)o1 159091081 OYHRBBNJYBJFOP-ZHVYSYIMSA-N 313.353 3.144 10 10 DGCE C[C@@H](NCc1cn(C)nc1C(F)(F)F)c1cc(F)ccc1O 186152071 QBZIMHXJFILNKJ-MRVPVSSYSA-N 317.286 3.134 10 10 DGCE CN[C@@H](C)c1ccc(N(C)CCCOC)cc1Br 234406520 UVCHSKYWQWERAK-NSHDSACASA-N 315.255 3.202 10 10 DGCE COc1ccccc1[C@@H](O)CN[C@@H](C)c1ccc(C)c(C)c1O 273390204 KJSRMBKYQAYDKU-YOEHRIQHSA-N 315.413 3.402 10 10 DGCE C[C@@H](NC1CC(F)(F)C1)c1ccc(N2CCOCC2)c(F)c1 277213562 WWMLJNMGHOTVCB-LLVKDONJSA-N 314.351 3.111 10 10 DGCE Oc1ccc(CNCc2cc(Cl)sc2Cl)c(O)c1O 312753985 AFELSVXMKZEZFL-UHFFFAOYSA-N 320.197 3.462 10 10 DGCE CC[C@H](CSC)N(C)c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-] 316966382 FJAISQMQOURRBI-WAFBPQNNSA-N 324.402 3.270 10 10 DGCE CC[C@H](NCc1[nH]cnc1C)c1cc(Br)ccc1O 379971033 MQRFFSLENNLDPI-LBPRGKRZSA-N 324.222 3.427 10 10 DGCE C[C@@H](CNCc1ccc(O)cc1O)COCc1ccccc1 389927085 DSGZNHCVZVHTNS-AWEZNQCLSA-N 301.386 3.040 10 10 DGCE CN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@H]1CCc2ccccc2C1 588404399 ABTMRDKXSZZKOB-GJBHZFNWSA-N 323.392 3.127 10 10 DGCE Nc1ccc(CC(=O)NCc2cc3cscc3s2)cc1 693902332 CLLDMLFUDGXXKQ-UHFFFAOYSA-N 302.424 3.404 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)c2cc(Cl)ncc2Cl)C1 701323714 YNQWHNSFZCZQSE-SSDOTTSWSA-N 300.149 3.303 10 10 DGCE Cc1ccc(O)c(CN[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C)c1 721884325 UQQMUHTXCPEKRV-DZGCQCFKSA-N 320.433 3.046 10 10 DGCE CC[C@H]1CN(Cc2cc(Cl)ccc2O)CCN1CC(F)F 769514734 NSCYVGSWRWXYGE-ZDUSSCGKSA-N 318.795 3.207 10 10 DGCE CC(C)[C@H](NC(=O)NCc1ccc(N(C)C)cc1)C(F)(F)F 786687579 LYTFAMFOECCDDX-ZDUSSCGKSA-N 317.355 3.139 10 10 DGCE CCn1c(CCC(C)C)nnc1N(C)Cc1ccccc1O 812030881 SJIHQVXRGINBEW-UHFFFAOYSA-N 302.422 3.229 10 10 DGCE C[C@H](Cc1ccco1)C(=O)NCCCSc1nccs1 827474505 BBGUNXVEALFFBK-LLVKDONJSA-N 310.444 3.213 10 10 DGCE CCOc1ccc(O)c(CN[C@@H](C)[C@](C)(O)c2ccccc2)c1 846038536 MTRWNNUERYDHBC-LIRRHRJNSA-N 315.413 3.177 10 10 DGCE CC[C@H](NC[C@@H](C)N1C[C@H](C)O[C@H](C)C1)c1ccc(F)cc1O 848559411 WIOKSPKHWCNLHF-WVZRYYJFSA-N 324.440 3.070 10 10 DGCE CCN(CC)c1ccc(CNC[C@]2(O)C[C@H]3C=C[C@H]2C3)cc1F 850374823 ROVHZVTYTYETFY-URLQWDBASA-N 318.436 3.089 10 10 DGCE Cc1cc(C)c([C@@H](C)NC[C@H]2CC3(CCOCC3)CO2)c(O)c1 866530364 AAPWFSTUYZZIEK-HZPDHXFCSA-N 319.445 3.245 10 10 DGCE O=C(NCc1c(O)cccc1F)NC1CC(c2ccccc2)C1 916609839 VDCCICHHKLVCAV-UHFFFAOYSA-N 314.360 3.277 10 10 DGCE C[C@@H](C(=O)NCc1ccc(O)cc1O)c1ccc(Cl)s1 1142533117 DGOQQVQHNOHWQW-MRVPVSSYSA-N 311.790 3.233 10 10 DGCE CC(C)Cc1cc(NC(=O)c2ccc(N=NC(N)=O)cc2)n[nH]1 1143793106 AOIWBMVNXLCAHZ-UHFFFAOYSA-N 314.349 3.023 10 10 DGCE O=C(CCSc1ccccc1F)NCc1cccc(O)c1O 1153791592 DPMKNBYYJUQXGD-UHFFFAOYSA-N 321.373 3.036 10 10 DGCE C[C@H](NC(=O)c1ccccc1-c1cn[nH]c1)c1ccccc1O 1171730617 QRVCSUBPEKGIIV-LBPRGKRZSA-N 307.353 3.273 10 10 DGCE COC(=O)CN(Cc1ccc(N2CCCCC2)c(C)c1)C(C)C 1191664095 LHYCHDPGLQGKMQ-UHFFFAOYSA-N 318.461 3.369 10 10 DGCE CC[C@@H](C)CONC(=O)N(C)Cc1ccc(N2CCCC2)cc1 1312765454 NFDDCBJOBGQYJR-OAHLLOKOSA-N 319.449 3.406 10 10 DGCE C[C@H](NC(=O)c1ncccc1C(F)(F)F)c1ccccc1O 1471194587 LKRAVAAPOMJDGN-VIFPVBQESA-N 310.275 3.297 10 10 DGCE COc1ccc(CNC[C@H](C)NC(=O)CC(C)(C)C)cc1C 1483210785 MBLFDJYAWVXCIH-AWEZNQCLSA-N 306.450 3.034 10 10 DGCE CC(C)c1nnc(N(C)Cc2ccccc2O)n1[C@@H]1C[C@H]1C 1508915377 LNHBPDGHXWOMFL-TZMCWYRMSA-N 300.406 3.324 10 10 DGCE O=C(c1c(F)ccc(O)c1O)N1CCc2cc(Cl)ccc2C1 1558963754 CQJIGOXHLRQDLP-UHFFFAOYSA-N 321.735 3.089 10 10 DGCE O=C(NCc1ccccc1O)C(=O)c1cc(Cl)cc(Cl)c1 1622773146 XQKYGLSXOLFFAQ-UHFFFAOYSA-N 324.163 3.198 10 10 DGCE CCCC1CCC(N(C)C(=O)Cc2ccc(O)c(O)c2)CC1 1634692544 JIENMIGRVQCGEW-UHFFFAOYSA-N 305.418 3.458 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](SCC)C(C)C 1634940018 WZFDCODFOBAVCS-HNNXBMFYSA-N 316.463 3.272 10 10 DGCE CCC(=CC(=O)N[C@H](C)CNCc1ccc(OC)c(C)c1)CC 1669273739 UDQSBQHKRAVTSY-OAHLLOKOSA-N 318.461 3.344 10 10 DGCE COc1ccc(CCN=NNc2ccc(O)cc2)cc1OC 1860488893 PAVRBWVXPNGHQT-UHFFFAOYSA-N 301.346 3.431 10 10 DGCE CCC1=NN(c2ccccn2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1 1865676407 AXVOTPZCOPAJDG-SDNWHVSQSA-N 322.324 3.186 10 10 DGCE CN(CCN=[N+]=[N-])C(=O)c1ncc(Cl)c(Cl)c1Cl 1912165023 FDGHYZJJGPYZNY-UHFFFAOYSA-N 308.556 3.424 10 10 DGCE CO[C@@H]1CCN(c2ccc([C@@H](C)N)cc2Br)[C@@H]1C 1914271594 IUISRWSGKSDPHM-GPCCPHFNSA-N 313.239 3.082 10 10 DGCE CN(c1ccc(CN)cc1F)[C@H]1CC[C@@H]1OCc1ccccc1 1939611089 LJJHKYZQHNVYON-OALUTQOASA-N 314.404 3.468 10 10 DGCE C[C@H]1CN(Cc2cc(Br)cc(F)c2O)C[C@H]1F 1947374618 URLSIQVNQZKZAA-WRWORJQWSA-N 306.150 3.084 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@](CF)(Nc2ccc(N)cc2)C1 1959380759 NABMRAHQXVBHSW-MRXNPFEDSA-N 309.385 3.030 10 10 DGCE CN(C(=O)OC(C)(C)C)C1CCN(CCCCN=[N+]=[N-])CC1 1962298307 DCVQZQHFYIIDQL-UHFFFAOYSA-N 311.430 3.408 10 10 DGCE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N(C)c1ccc(N)cc1 1977950741 JTLIPRSHJBORFX-XJKSGUPXSA-N 319.449 3.351 10 10 DGCE C[C@@H]1[C@H](NCc2ccc(F)cc2O)CCN1C(=O)OC(C)(C)C 1994524401 KCOWUGDHTWOILK-BXUZGUMPSA-N 324.396 3.019 10 10 DGCE Oc1cccc(Br)c1CN1C[C@H](F)C[C@@H](F)C1 2011416746 YEIHWYBXRIRBCX-RKDXNWHRSA-N 306.150 3.037 10 10 DGCE CCO[C@H](CNCc1cccc(Br)c1O)C(C)C 2068090762 UKQWLXATMNZHEJ-CYBMUJFWSA-N 316.239 3.305 10 10 DGCE Cc1cccc(O)c1Cn1nc(Cl)c(N)c1C(F)(F)F 2079212442 SXJZXXSMWGHQTN-UHFFFAOYSA-N 305.687 3.200 10 10 DGCE COc1ccc([C@H](C)n2nc(C(C)C)c(CN)c2Cl)c(O)c1 2080001504 JSBZQLUSZDXLGA-JTQLQIEISA-N 323.824 3.442 10 10 DGCE CO[C@@H]1CN(c2ccc(CNC(C)C)c(Cl)c2)C[C@H]1F 2146480033 WEUBXSMASWHOPX-HUUCEWRRSA-N 300.805 3.011 10 10 DGCE COCCN(c1ccc([C@@H](C)O)cc1Cl)[C@@H]1CCSC1 2170157689 TVTFRPOVNIBVIS-DGCLKSJQSA-N 315.866 3.352 10 10 DGCE Oc1c(Cl)cccc1CN[C@@]1(C(F)(F)F)CCCOC1 2179878469 LOJRTVSOGQAOOZ-LBPRGKRZSA-N 309.715 3.247 10 10 DGCE CN(CC(C(F)(F)F)C(F)(F)F)c1ccc(CN)cc1 2183942881 NKCGSXJZBSGZMH-UHFFFAOYSA-N 300.246 3.322 10 10 DGCE O[C@H]1CCc2cc(N3CCS[C@@H](C(F)(F)F)C3)ccc21 2184732312 SLCOCOLCDCJSEO-QWHCGFSZSA-N 303.349 3.150 10 10 DGCE CCC[C@H](CNCc1ccc(C)cc1O)NC(=O)OC(C)(C)C 2210463527 BPALTPUBZPYPSD-OAHLLOKOSA-N 322.449 3.484 10 10 DGCE CC[C@H](C)NCc1cnc(Sc2nc(C)ns2)s1 2223631794 AVOPRVDOQMSJEK-ZETCQYMHSA-N 300.478 3.342 10 10 DGCE NCc1ccc(N2CC(F)(F)C3(CC3)C2)cc1Br 2263154782 UORIHSRIJDNKED-UHFFFAOYSA-N 317.177 3.143 10 10 DGCE CSc1ncc(CNC2=NC[C@@H](C3CCC3)CS2)s1 2269100672 RQYRBCNDWCUTQP-SNVBAGLBSA-N 313.517 3.474 10 10 DGCE CSc1ncc(CNC[C@@H]2CC[C@](C)(CO)C2(C)C)s1 2284727793 NBTRCNLVUZHSGM-XHDPSFHLSA-N 314.520 3.389 10 10 DGCE CC1=CSC2=NC(=O)C(=Cc3ccc(O)c(Cl)c3)C(=N)N12 2297500258 VUICEGLAVHJAIA-UHFFFAOYSA-N 319.773 3.213 10 10 DGCE Oc1c(Br)cccc1CN[C@H]1CC[C@@H]2[C@H]1C2(F)F 2308656709 RRQITAPJMLZBTO-DVVUODLYSA-N 318.161 3.288 10 10 DGCE CC(C)N[C@](CO)(CSc1nccs1)C1CC2(CC2)C1 2370984380 RECSHSMZPIYHJH-OAHLLOKOSA-N 312.504 3.155 10 10 DGCE CCN(CC)c1ccc(CNC(=O)c2ccc(O)cc2C)cc1 179468197 CQTSFRRHMLHODR-UHFFFAOYSA-N 312.413 3.477 10 10 DGCE COc1ccc(O)c(CNC(=O)[C@@H]2C[C@@H]2C2CCCCC2)c1 173580767 CFYDADAEPRJJQE-HZPDHXFCSA-N 303.402 3.233 10 10 DGCE C[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CCCC1 172195720 PHVWLNFZSYJNOV-CQSZACIVSA-N 303.450 3.473 10 10 DGCE COc1ccc(CNC/C=C\CNC(=O)OC(C)(C)C)cc1C 309695236 QDHIQGZTEWSGKV-SREVYHEPSA-N 320.433 3.174 10 10 DGCE C[C@@H]1CCCN(C2=NC(=O)/C(=C\c3ccccc3O)S2)C1 33457344 XGCXCIWVIAZGSB-ZECSTPGPSA-N 302.399 3.094 10 10 DGCE CC(=O)c1cccc(/N=N\c2c(C(=O)O)nc3c(O)cccn23)c1 71602038 RTADAKOSCZYPFZ-HNENSFHCSA-N 324.296 3.356 10 10 DGCE CN(c1ccc(CNC2CC2)cc1Cl)[C@H]1CCCC[C@@H]1O 132048013 MBQNBRACQJHRQQ-IRXDYDNUSA-N 308.853 3.332 10 10 DGCE CC(C)C(=O)N1CCC(N[C@@H](C)c2ccc(N(C)C)cc2)CC1 193022188 XGWJNYYZOWKAMZ-HNNXBMFYSA-N 317.477 3.050 10 10 DGCE Cc1ccc(O)c([C@@H](C)Nc2cccc(NS(C)(=O)=O)c2)c1 192745059 SVZVNEXJWMOOES-GFCCVEGCSA-N 320.414 3.245 10 10 DGCE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1C[C@H](C)C[C@@H](C)C1 198206984 KPFNNMPZGQKCHY-CHWSQXEVSA-N 311.385 3.369 10 10 DGCE O=C1N=C(N2CCc3ccccc3C2)S/C1=C/c1cccnc1 96854270 HLCIPSAWSJSQGF-MHWRWJLKSA-N 321.405 3.110 10 10 DGCE CN(CCCOc1ccc(N)cc1)CCOCc1ccccc1 383934185 GEKRLDBTHZXLGA-UHFFFAOYSA-N 314.429 3.186 10 10 DGCE COc1cc(Cl)cc(CN2CC[C@]3(CCCOC3)C2)c1O 375301379 GHFHITNXWRFDKY-MRXNPFEDSA-N 311.809 3.057 10 10 DGCE COc1nc(C)cc(C)c1CN(C)Cc1ccc(N(C)C)cc1 805734111 XNJQMAQDMMDELZ-UHFFFAOYSA-N 313.445 3.405 10 10 DGCE COC(=O)Cc1cc2c(O)csc2cc1Br 396266547 BHHLWILHDMRIIB-UHFFFAOYSA-N 301.161 3.085 10 10 DGCE Oc1cc(F)c(Cl)cc1CN1CCC[C@H]([C@@H]2CCOC2)C1 816521119 HQRBEIMHAWYDPV-NWDGAFQWSA-N 313.800 3.433 10 10 DGCE COc1cc2c(c(OC)c1)N(CCC[C@H]1CCOC1)CCC2 828627517 WIGOYSJNZBHICH-AWEZNQCLSA-N 305.418 3.273 10 10 DGCE C[C@H](O)[C@H](NCc1cc(Cl)cc(F)c1O)c1ccccc1 827855693 GRZSBBRLCHGOTH-BONVTDFDSA-N 309.768 3.396 10 10 DGCE C[C@@H](NC(=O)[C@H]1CCOC2(CCCC2)C1)c1ccccc1O 913763380 FDKGKCRZPAFVPU-KGLIPLIRSA-N 303.402 3.309 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCC[Si](C)(C)C 847696908 XDSPKNXHYBWAMU-LBPRGKRZSA-N 309.482 3.263 10 10 DGCE C[C@@H](NCc1cnc(C(F)(F)F)nc1)c1ccc(N(C)C)cc1 844321637 FXVNMQQRHGWMNE-LLVKDONJSA-N 324.350 3.412 10 10 DGCE Cc1cc(O)c(CN[C@@H]2c3ccccc3C[C@@H]2O)c(Cl)c1 840884850 REJWAMGPCIRZJG-DLBZAZTESA-N 303.789 3.102 10 10 DGCE CCc1cccc(CNCc2ccc(F)c(CN(C)C)c2)c1O 848896660 GHJXPKGPMHNWAA-UHFFFAOYSA-N 316.420 3.445 10 10 DGCE CO[C@H](CN(C)c1ccc(-c2nccs2)cc1)[C@H]1CCOC1 852165246 AHUUXXRVNYAMGS-GOEBONIOSA-N 318.442 3.298 10 10 DGCE COC[C@H](N[C@H]1CCN(c2ccc(OC)cc2)C1)C1CCCC1 850489463 USHXXSIDPCDGOY-LPHOPBHVSA-N 318.461 3.069 10 10 DGCE CN(CCCN=[N+]=[N-])[C@H]1CC[C@H]1NC(=O)OCc1ccccc1 1954206418 GGNSHBYKSRENPW-CABCVRRESA-N 317.393 3.076 10 10 DGCE CN(C)c1ccc(CN(Cc2cn(C)nc2Cl)C2CC2)cc1 857012924 YXXXLNMEFWTOPK-UHFFFAOYSA-N 318.852 3.304 10 10 DGCE Cc1cc(C[C@H](C)N[C@H]2C[C@@H](C)c3c(F)ccc(O)c32)n[nH]1 756764330 GGSHYFICUVYOAF-BFVZDQMLSA-N 303.381 3.332 10 10 DGCE O=C(C=C(C1CC1)C1CC1)NCc1ccc2cccnc2c1O 862027893 JBFOYXCYVSYLKN-UHFFFAOYSA-N 308.381 3.303 10 10 DGCE COC[C@H](CC(C)(C)C)NC(=O)N[C@H](C)c1ccccc1O 868752530 POCJLYRQPXXYOS-OLZOCXBDSA-N 308.422 3.204 10 10 DGCE C[C@H](OC1CCCCCC1)C(=O)N1Cc2cccc(O)c2C1 871203511 MSNKFKLQGJQAGE-ZDUSSCGKSA-N 303.402 3.362 10 10 DGCE COc1ccc(N2CCCN(C[C@@H]3CCO[C@H](C)C3)CC2)cc1 778998072 GXXPZDWEYVEEKX-IAGOWNOFSA-N 318.461 3.022 10 10 DGCE CN(C)c1ccc(-c2nc(C(C)(C)C)c(C(=N)N)s2)cc1 82440386 DCQOIYYOZFORGA-UHFFFAOYSA-N 302.447 3.458 10 10 DGCE O=C(NCc1cc(F)c(Cl)cc1F)c1cc(O)cs1 791032411 HYGWLNAGHABKSG-UHFFFAOYSA-N 303.717 3.315 10 10 DGCE Cc1ccc(C(=O)NC[C@@H]2CCCc3ccccc32)c(O)c1O 1136167532 SXPSFWJHTCTQDY-AWEZNQCLSA-N 311.381 3.256 10 10 DGCE COc1ccc(CNC(=O)c2sc(C(C)C)nc2C)c(O)c1 794377245 PXLKDPOXKSYUAO-UHFFFAOYSA-N 320.414 3.219 10 10 DGCE C[C@@H](O)c1ccc(N(C)CC2CSC2)c(Br)c1 718409277 BHYIVPLGXDSMDP-SECBINFHSA-N 316.264 3.302 10 10 DGCE COC(=O)[C@](C)(NCCN=[N+]=[N-])c1ccc(Cl)cc1Cl 90256823 DFLBZSICROZVJC-GFCCVEGCSA-N 317.176 3.282 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1ncc(F)cc1F 1456307197 BOGINIIEVAUENY-UHFFFAOYSA-N 314.291 3.149 10 10 DGCE CCS[C@H]1CCC[C@@H]1NCc1cc(F)cc(C(C)=O)c1O 1460080760 FZNUMBXOAQJKHJ-GJZGRUSLSA-N 311.422 3.498 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)[C@H]1CCC[C@@H](N(C)C)C1 1545505089 TZLPSBKNJDLCMT-DOTOQJQBSA-N 318.461 3.251 10 10 DGCE CCC1(C(=O)NCC[C@H](C)NCc2ccc(OC)c(C)c2)CC1 1714486117 DYFGFMXPTBHYMJ-HNNXBMFYSA-N 318.461 3.178 10 10 DGCE COc1ccc(CNCC[C@@H](C)NC(=O)CC(C)(C)C)cc1C 1482809351 CTBWCUKPPRZCIM-OAHLLOKOSA-N 320.477 3.424 10 10 DGCE Cc1ccc(OCc2nccc(C)c2Br)c(N)n1 1926845725 YNGNOKXGDLOFJW-UHFFFAOYSA-N 308.179 3.017 10 10 DGCE Cc1nocc1NC(=O)c1ccccc1-n1c(C)cc(C=O)c1C 1640532099 PHNWIBWFMMHRAS-UHFFFAOYSA-N 323.352 3.455 10 10 DGCE Nc1ccc(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)cc1 160362519 KENOFCIITQFTKW-UHFFFAOYSA-N 318.380 3.196 10 10 DGCE Nc1ccc(NC(=O)c2c[nH]c3ccc(Cl)cc3c2=O)cc1 1866073459 NQXUPSNBDZHGEP-UHFFFAOYSA-N 313.744 3.016 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)c1cc(Br)cs1 2004868965 NEBLAHUSIZBMBM-MRVPVSSYSA-N 315.196 3.426 10 10 DGCE CC(C)(C)OC(=O)NC[C@H]1CN(CCCN=[N+]=[N-])CC12CCC2 1982240971 FRJKQLDEHCNUTD-ZDUSSCGKSA-N 323.441 3.314 10 10 DGCE CN(CCCCCNC(=O)OC(C)(C)C)Cc1ccc(N)cc1 1986309621 CJFLQFAWJIEJFN-UHFFFAOYSA-N 321.465 3.396 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)c1ccc(Cl)nc1Cl 701318807 IJOPESVGLLTGNT-SSDOTTSWSA-N 300.149 3.303 10 10 DGCE CCOC(=O)[C@]1(NC(C)C)CC[C@H](Sc2nccs2)C1 93851773 BGYUQFCBFGWCGD-FZMZJTMJSA-N 314.476 3.088 10 10 DGCE CN1C[C@H]2CN(Cc3cc(Cl)cc(Cl)c3O)C[C@]2(C)C1 702435209 LOOUAFMLEDJQLL-NHYWBVRUSA-N 315.244 3.083 10 10 DGCE CN1CCc2cc([C@H](N)[C@@H](O)c3csc(Cl)c3)ccc21 2163140333 IECJMJFDGBPIRA-GJZGRUSLSA-N 308.834 3.127 10 10 DGCE CC[C@H](c1ccc(C)cc1O)n1nc(C2CCC2)c(CO)c1N 2079015439 USPIHMVJGNDWGI-OAHLLOKOSA-N 315.417 3.239 10 10 DGCE COc1cc(Cl)cc(CN2CC[C@@H](P(C)(C)=O)C2)c1O 2181602983 CUOMMNWAZDWADR-GFCCVEGCSA-N 317.753 3.251 10 10 DGCE CC[C@H](COC)N(C)Cc1cc(Br)cc(C)c1O 2047296792 GQLYAUYHSWHNAF-CYBMUJFWSA-N 316.239 3.320 10 10 DGCE Cc1cc([C@H](C)N)ccc1N1CCN(Cc2ccccc2)CC1 2212699111 AGQRBJBXMCMJPJ-KRWDZBQOSA-N 309.457 3.337 10 10 DGCE CCOC(=O)[C@@H](NCCN=[N+]=[N-])c1cc2sccc2s1 2205532062 XIFFWFFBBYUPKN-NSHDSACASA-N 310.404 3.467 10 10 DGCE CC[C@H](C)NCc1cnc(Sc2nnc(C)s2)s1 2223527789 QVEOKOLUGUAOGX-ZETCQYMHSA-N 300.478 3.342 10 10 DGCE C[C@H]1CCCN(C2=NC(=O)C(=Cc3cccc(O)c3)S2)C1 2293571061 JMNDQHVRZLWUJG-NSHDSACASA-N 302.399 3.094 10 10 DGCE Cc1cc(Sc2ncc(C(=N)N)s2)nc2ccccc12 2296238477 GPXLNSJTPWVQCM-UHFFFAOYSA-N 300.412 3.435 10 10 DGCE O=C(C=CSc1ccccc1)NCc1ccc(O)c(O)c1 2307787345 ZDWPNCVQSBYSPX-UHFFFAOYSA-N 301.367 3.020 10 10 DGCE CC[C@H](C)C(=O)N(C)Cc1ccc(C)c(Br)c1O 2327601880 CGRUEIHBWOEOKJ-VIFPVBQESA-N 314.223 3.468 10 10 DGCE Cc1ccc(CN[C@@H]2CCO[C@@H](C)C2)c(O)c1Br 2327798990 PJAADTSVJRWNFT-CMPLNLGQSA-N 314.223 3.120 10 10 DGCE Cc1ccc(CNC(=O)C2[C@@H]3CCC[C@@H]23)c(O)c1Br 2352932069 HOYLRAQMDIFODT-GHMZBOCLSA-N 324.218 3.125 10 10 DGCE COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C/c1ccc(F)cc1 100276451 JNTAHXGFMYGHHA-OQLLNIDSSA-N 317.360 3.154 10 10 DGCE Cn1ccnc1CC1CCN(Cc2cc(Cl)ccc2O)CC1 121776013 WMXFKNMKCKHXIS-UHFFFAOYSA-N 319.836 3.234 10 10 DGCE CP(C)(=O)CCNCc1cc(OC(F)(F)F)ccc1O 2361045013 HVQOWQCTRJGQDX-UHFFFAOYSA-N 311.240 3.003 10 10 DGCE CCN(Cc1ccc(Cl)s1)C(=O)COc1ccc(N)cc1 40333850 STCNDBSYJQGPGP-UHFFFAOYSA-N 324.833 3.411 10 10 DGCE COc1ccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)c(O)c1 46836228 ZZKULFUGOYVLOE-KRWDZBQOSA-N 310.353 3.130 10 10 DGCE C[C@H](C[S@@](C)=O)N[C@H](C)c1ccc(N2CCCCC2)cc1 248506350 WSQMBPDCSKALRN-VTJXTGGHSA-N 308.491 3.095 10 10 DGCE CC(=O)N(C(=S)NC1CCCCCC1)c1ccc(N)cc1 243360157 LZWLAJHPIZZVSN-UHFFFAOYSA-N 305.447 3.219 10 10 DGCE CN[C@@H](C)Cc1noc(-c2cc(C)n(-c3ccccc3)c2C)n1 261864476 UQSZMAMTWNAUDF-LBPRGKRZSA-N 310.401 3.295 10 10 DGCE Cc1nn(C)c(C)c1CCNCc1ccc2ccccc2c1O 816531378 PPUQKQMNNZRSPD-UHFFFAOYSA-N 309.413 3.228 10 10 DGCE C[C@H](N[C@H]1CCN(C)[C@H]1C)c1ccc(N2CCCCC2)cc1 903303376 QBCJQYWRZVCZQD-BXWFABGCSA-N 301.478 3.420 10 10 DGCE COC[C@@](C)(O)CCN[C@H](C)c1ccc(Cl)c(Cl)c1O 834843376 IILOUFWJHGKXQX-OTYXRUKQSA-N 322.232 3.137 10 10 DGCE Cc1cc(O)c(CN[C@H](C2CC2)[C@@H](CO)C2CC2)c(Cl)c1 840951151 TXLOTSJGEOLQKX-WMLDXEAASA-N 309.837 3.241 10 10 DGCE Cc1cc(O)c(CNC[C@H]2COC3(CCCC3)O2)c(Cl)c1 840908182 PIPRCNJKTVXHEG-LBPRGKRZSA-N 311.809 3.129 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H](F)[C@H]1c1c(N)cccc1O 1953070096 CAJWFSCRCYNZCG-HZMBPMFUSA-N 310.369 3.385 10 10 DGCE CC1(/C=C\C(=O)NCc2cc(Cl)ccc2O)CCOCC1 846477481 RILXECJESWZIBV-PLNGDYQASA-N 309.793 3.035 10 10 DGCE CCCN(CCC)c1ccc(CNC2(C(=O)N(C)C)CC2)cc1 840959156 VASITFPROVYSIQ-UHFFFAOYSA-N 317.477 3.023 10 10 DGCE CC[C@@H](N[C@@H](COC)C1CCOCC1)c1ccc(N(C)C)cc1 850491693 ILJZLHPBVQDPLK-MOPGFXCFSA-N 320.477 3.235 10 10 DGCE COc1cccc(CN[C@H](C)[C@@H]2Oc3ccccc3[C@@H]2C)c1O 752264449 DLZPWGNGITXKRC-XEKQOVJPSA-N 313.397 3.444 10 10 DGCE CCN(CC)c1ccc(CN(C)C[C@@H](OC)[C@H]2CCOC2)cc1 851717018 UKHJWWQRUFHZGV-PKOBYXMFSA-N 320.477 3.016 10 10 DGCE CC(C)[C@@H](NC(=O)NCCCSc1nccs1)C1CC1 853857584 GQVHNHIUHZAFRX-GFCCVEGCSA-N 313.492 3.359 10 10 DGCE CC[C@@H](C)n1ncc(NC(=O)NCc2c(O)cccc2F)c1C 931070086 ODDUMXSXXPPOQP-SNVBAGLBSA-N 320.368 3.329 10 10 DGCE COc1ccc(CN[C@H](c2ccccc2)c2nc[nH]n2)cc1C 775971315 NJLLZOHNSVEEHD-QGZVFWFLSA-N 308.385 3.001 10 10 DGCE O=C(N1Cc2cccc(O)c2C1)C12CC(c3ccccc3)(C1)C2 871205323 YUVXEQJCTUGDGJ-UHFFFAOYSA-N 305.377 3.356 10 10 DGCE COc1ccc2c(c1)CCN2Cc1cccc(-n2cccn2)c1 772597481 GIQQXARBHDVSTH-UHFFFAOYSA-N 305.381 3.444 10 10 DGCE C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@H]1CCC[C@@H](C)C1 1142302197 SAVWIXSXXFKIHG-WWJJATFZSA-N 303.402 3.442 10 10 DGCE C[C@H](NC(=O)Cc1c[nH]c2ccc(F)cc12)c1ccccc1O 1302532650 MXDAIHKSPVWDHG-NSHDSACASA-N 312.344 3.433 10 10 DGCE C/C(=C\C(=O)NCc1c(O)cccc1O)c1cccc(Cl)c1 1178910530 FVBCKPBCXBKABI-DHZHZOJOSA-N 317.772 3.471 10 10 DGCE Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccccc1O 1171729443 CLRDWYDWERTQGF-LBPRGKRZSA-N 314.341 3.408 10 10 DGCE Cc1ccc(CC(=O)NCc2c(O)ccc3ccccc23)cc1O 1179032403 FQOITERVIVBVND-UHFFFAOYSA-N 321.376 3.418 10 10 DGCE C[C@@H](N[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)c1ccccc1O 1904622588 GOGBMZCJJASVML-ACJLOTCBSA-N 320.433 3.442 10 10 DGCE CCN(CC)c1ccc(CNC(=O)c2cnc3cc[nH]c3c2)cc1 1354541095 MTFKONCEUBVFNX-UHFFFAOYSA-N 322.412 3.339 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)c2cc3c(s2)CCSC3)C1 1912198786 KSPRCZJVICYFKK-VIFPVBQESA-N 308.432 3.310 10 10 DGCE Cc1ncccc1/C=C\C(=O)N1C[C@H](C)C(=O)Nc2ccccc21 1353942693 PCTUHUFRDQRZFF-XPSMFNQNSA-N 321.380 3.025 10 10 DGCE CC[C@@H](NC(=O)c1ccc(C)c(O)c1O)c1ccc(F)cc1 1446660500 UDRWXPQNSANQOP-CQSZACIVSA-N 303.333 3.426 10 10 DGCE CCC[C@@H]1C[C@H]1n1c(C)nnc1N(C)Cc1ccccc1O 1295026345 RUMFUZRLYHJEJP-UKRRQHHQSA-N 300.406 3.290 10 10 DGCE C[C@@H](O)c1ccc(N(Cc2ccccc2)CC(C)(C)O)cc1O 1915365310 VUTZNSPWAXBOLP-CQSZACIVSA-N 315.413 3.223 10 10 DGCE CC(C)=CCNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C 1469786459 VOQKBBZHZABXNH-OAHLLOKOSA-N 303.450 3.257 10 10 DGCE COc1ccc(CN[C@H](C)CCNC(=O)CC(C)(C)C)cc1C 1731723339 QQHBJPREAFZFHK-OAHLLOKOSA-N 320.477 3.424 10 10 DGCE CCN(CCC[C@@H](N)c1ccccc1O)C(=O)OC(C)(C)C 1928467292 JBBXLSKCRRDWHG-CQSZACIVSA-N 308.422 3.429 10 10 DGCE Cc1ncoc1-c1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 1652246844 HAOWNTGSRSQFDS-UHFFFAOYSA-N 324.336 3.242 10 10 DGCE CC[C@H](C(=O)NCc1cc(O)ccc1O)c1ccc(F)cc1 1651225473 KZCXDSSMTCWHRU-HNNXBMFYSA-N 303.333 3.047 10 10 DGCE CCCN(Cc1cc(C)cc(OC)c1O)C[C@H]1CCCCO1 164305270 IDTLCWYTNLQQHQ-MRXNPFEDSA-N 307.434 3.490 10 10 DGCE CCN1C(=O)/C(=C\c2c[nH]c3ccc(OC)cc23)SC1=S 1858587169 WBVFWEFSVZAEJP-AWNIVKPZSA-N 318.423 3.398 10 10 DGCE C[C@H](N[C@@H]1CC[C@@H]1OCc1ccccc1)c1ccc(O)cc1O 1939572865 ASFMWKBMLZWKAF-IRWQIABSSA-N 313.397 3.496 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@@]2([C@H](N)c2ccccc2O)C1 1936985182 SKBHUKJPYPHPHW-CBBSBYJHSA-N 318.417 3.085 10 10 DGCE CCN(CCCCN=[N+]=[N-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 1962301401 VFFJJUYIDWXNML-ZDUSSCGKSA-N 311.430 3.408 10 10 DGCE BrC1(CNCc2ccc(N3CCCC3)cc2)CC1 1962736427 NXUTVVFFPWOTFI-UHFFFAOYSA-N 309.251 3.304 10 10 DGCE CC(C)(C)OC(=O)N[C@@H](CC1CCC1)[C@H](N)c1ccccc1O 1986007141 QNOOKRVIAIULPE-GOEBONIOSA-N 320.433 3.476 10 10 DGCE Oc1c(Br)cccc1CNCC1(Cl)CCC1 1991667148 ULSXZAOKNUJCQQ-UHFFFAOYSA-N 304.615 3.406 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@@H](F)C[C@H]2C)c(Br)c1 1997690814 FFRJQMVYIXNGNM-KKZNHRDASA-N 302.187 3.439 10 10 DGCE C[C@H](O)c1ccc(N2CCOCC[C@H]2C)c(Br)c1 2031687900 BQSMHUMWKUHOFG-MNOVXSKESA-N 314.223 3.118 10 10 DGCE NCc1ccc(N2CCC(F)(F)CC2)cc1Br 405165274 KWYOARMONVMTHJ-UHFFFAOYSA-N 305.166 3.143 10 10 DGCE CCN1CCc2cc([C@H](NN)c3cc(Cl)cs3)ccc21 2163135280 IHDDTOCAJMNPQN-HNNXBMFYSA-N 307.850 3.337 10 10 DGCE C[C@@H](N)c1ccc(N(C)Cc2c(Cl)cnn2C)cc1Cl 2168141441 PLVZLWHXUQOXIM-SECBINFHSA-N 313.232 3.383 10 10 DGCE CC[C@@H](c1cc(Br)ccc1O)N(C)[C@H](C)CNC 2049147126 CDDYXVLTXRNOAP-MFKMUULPSA-N 315.255 3.146 10 10 DGCE CCc1csc(Sc2ncc(CNCCOC)s2)n1 2099103696 NYGHWCLTBIVNDL-UHFFFAOYSA-N 315.489 3.049 10 10 DGCE CC[C@@H](C)C[C@](CSc1nccs1)(NC1CC1)C(=O)O 2207923765 QEPSVZMHAUUWDH-QMTHXVAHSA-N 314.476 3.247 10 10 DGCE CN(c1ccc2c(c1)CCC[C@@H]2O)C1CSCCSC1 2237053375 GIYHAMBVPGCWIR-INIZCTEOSA-N 309.500 3.341 10 10 DGCE COc1cc(N(C)CC(Cl)=CCl)cc(OC)c1OC 2300147199 DRYDJSOTJBEKGA-UHFFFAOYSA-N 306.189 3.468 10 10 DGCE Cc1ccc(CNC2CC(CF)C2)c(O)c1Br 2307472470 DTPRPGWOLRLRTM-UHFFFAOYSA-N 302.187 3.301 10 10 DGCE C[C@H](O)c1ccc(N2Cc3cccnc3C2)cc1Br 2336970984 HVBJOOZFPLPEQN-JTQLQIEISA-N 319.202 3.418 10 10 DGCE Oc1cc2c(cc1O)CN(Cc1coc(Br)c1)CC2 2341216497 LXPOGSLEYSMVLN-UHFFFAOYSA-N 324.174 3.012 10 10 DGCE CC1CCN(c2ccc(CNC(=O)N[C@H]3C[C@@H]3C)cc2)CC1 108583944 KUBKORRUZKVOCE-YOEHRIQHSA-N 301.434 3.131 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H](COc2ccc(N)cc2)C1 1951320509 VHGIKEZAVPEGKX-ZDUSSCGKSA-N 306.406 3.295 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CCOC[C@@H]2CC2CC2)c1O 1198041431 DXSRCVPKXBUMQF-HNNXBMFYSA-N 323.820 3.249 10 10 DGCE C[C@H](NC[C@@H](C)N(C)C(=O)OC(C)(C)C)c1cc(O)ccc1O 304281045 MGRAAEYIXHCVCR-NEPJUHHUSA-N 324.421 3.004 10 10 DGCE CC(C)(C(=O)O)[C@@H](N)c1c(O)c(Cl)cc(Cl)c1Cl 1951860129 NLHKHXXSEYTXOF-VIFPVBQESA-N 312.580 3.463 10 10 DGCE CCc1cc(C)c(C(=O)N[C@@H](C)c2cc(OC)ccc2O)o1 122291010 LHQQYSQXCGACKT-NSHDSACASA-N 303.358 3.356 10 10 DGCE COc1cccc(CNC(=O)c2cccn2C2CCCC2)c1O 182507067 BEUINMGCZDHNAN-UHFFFAOYSA-N 314.385 3.247 10 10 DGCE C[C@](NCCN=[N+]=[N-])(C(=O)O)c1cccc(Cl)c1Cl 235693415 GFNQXHFCLLCMRK-LLVKDONJSA-N 303.149 3.193 10 10 DGCE CC[C@@](NCCCN=[N+]=[N-])(C(=O)OC)c1cccc(Cl)c1 90259684 UQFQROXRXLHXLB-AWEZNQCLSA-N 310.785 3.408 10 10 DGCE Cc1cc(O)c(CNCC(C)(C)C(=O)N2CCCC2)c(Cl)c1 527815584 NQWFVGSONNOTHD-UHFFFAOYSA-N 324.852 3.092 10 10 DGCE CCN(C)c1ccc([C@H](C)N[C@H](C)C(=O)N2CCCCC2)cc1 247107175 QHZSUEWPXLIACG-JKSUJKDBSA-N 317.477 3.194 10 10 DGCE COc1ccc(N(C)C(=O)/C=C\c2cnc(C)s2)c(OC)c1 255281209 YFEXAOBVSDUJFX-VURMDHGXSA-N 318.398 3.145 10 10 DGCE Cc1ccc([C@H](C)NCc2ccc(CO)c(F)c2)c(O)c1C 273379308 HVTWZKVKDISICZ-ZDUSSCGKSA-N 303.377 3.491 10 10 DGCE COC(=O)[C@@H]1CC12CCN(Cc1cc(Cl)cc(C)c1O)CC2 271813519 MIYNCIZUXHOMCI-AWEZNQCLSA-N 323.820 3.129 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)N(C)CCCCO 276491936 SOGXMRNKKUPTPX-UHFFFAOYSA-N 306.431 3.000 10 10 DGCE [N-]=[N+]=NCCCCNC(=O)/C=C/c1ccc(Br)o1 706390902 XYYHBBBKGRELKE-GQCTYLIASA-N 313.155 3.262 10 10 DGCE CC[C@H](C)[C@@H](N)[C@H](N)c1ccc(OCc2ccccc2)cc1O 713767482 LDVJHXRPZKOFER-MJXNMMHHSA-N 314.429 3.344 10 10 DGCE Oc1c(F)cc(Cl)cc1CN[C@H]1C[C@H](O)c2ccccc21 827179448 YBDBPZDNHSJUPS-GJZGRUSLSA-N 307.752 3.453 10 10 DGCE CC(C)=CC[C@@H](NC/C=C\c1ccc(N(C)C)cc1)C(=O)O 904033079 QGNWCOXGTZNSQU-KEGWNNHHSA-N 302.418 3.165 10 10 DGCE CN(C)c1ccc(/C=C/CNCC[C@@]2(O)C[C@H]3CC[C@H]2C3)cc1 835057154 YPTUUMULYGPFHV-UUBHHLDFSA-N 314.473 3.297 10 10 DGCE Oc1cc2c(cc1CN1CCC[C@H]1[C@H]1CCCOC1)CCC2 842612834 OVULVKMNZXYWKX-WMZOPIPTSA-N 301.430 3.272 10 10 DGCE CCN(CC)c1ccc(CN2CC(CO)(c3ccccc3)C2)cc1 840969493 FYZLNNSWCGFOAP-UHFFFAOYSA-N 324.468 3.279 10 10 DGCE FC(F)c1cncc(NCc2ccc(N3CCOCC3)cc2)c1 846745465 HHWFLJFCJKVGEP-UHFFFAOYSA-N 319.355 3.468 10 10 DGCE COc1cc(Cl)cc(CN2CCCC[C@H]2[C@@H]2CCNC2)c1O 841086053 GCUMAVLJSYCPOA-DOMZBBRYSA-N 324.852 3.018 10 10 DGCE Cc1cc(O)c(CN2CCC[C@H](c3n[nH]c(C)n3)C2)c(Cl)c1 840920254 UNHZHQLBHGUHFK-LBPRGKRZSA-N 320.824 3.160 10 10 DGCE CC(C)(CNC(=O)NCc1ccccc1O)CC(F)(F)F 852724730 KTKYXCHZNSJKGB-UHFFFAOYSA-N 304.312 3.170 10 10 DGCE COc1ccc(N2CC[C@H](N[C@@H](C)C3(OC)CCCC3)C2)cc1 850486713 JOCFBVAARFBPIT-HOTGVXAUSA-N 318.461 3.211 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@@H]2COc3cccc(C)c3C2)c1 858459307 CFCDTMWCCVMGPA-KBPBESRZSA-N 313.397 3.364 10 10 DGCE COc1ccc(N2CC[C@@H](CNCCC(C)C)C2)cc1OC 76379028 XAPLWPQXYWQUPS-HNNXBMFYSA-N 306.450 3.166 10 10 DGCE C[C@@]1(F)CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 897870751 YKLIPNIXMHEKDH-OAHLLOKOSA-N 309.362 3.277 10 10 DGCE Cc1cc(C(F)(F)F)c(NCc2c(O)cccc2F)nn1 1307214739 RGFRFIYSMFPOLV-UHFFFAOYSA-N 301.243 3.261 10 10 DGCE C[C@H](C(=O)NCc1ccc(O)cc1O)c1cc2ccccc2o1 1162277939 DRGONBYNQYGYQQ-NSHDSACASA-N 311.337 3.264 10 10 DGCE COC(=O)/C=C/c1ccc(N2CC3CCC2CC3)c([N+](=O)[O-])c1 1320558009 UEEDBBJIPKIECC-WEVVVXLNSA-N 316.357 3.160 10 10 DGCE Oc1c(F)cc(Br)cc1CN[C@H]1C=CCCC1 1657465537 HSLDVKOPJSNAQH-NSHDSACASA-N 300.171 3.492 10 10 DGCE Cc1cc(Br)ccc1S(=O)(=O)CCCN=[N+]=[N-] 2248562829 FENRYIUIHBRWKP-UHFFFAOYSA-N 318.196 3.232 10 10 DGCE C[C@@H]1[C@H](Nc2c(N)cccc2F)CCN1C(=O)OC(C)(C)C 1959359279 HSBZCHSBJRTDLX-ZWNOBZJWSA-N 309.385 3.218 10 10 DGCE C/C(=C\c1cccnc1)C(=O)N1C[C@@H](C)Oc2c(F)cccc21 1269475776 XHAZAYXQUHQGLU-CNELAYHGSA-N 312.344 3.438 10 10 DGCE Cc1cccc(C)c1NCC(=O)NCc1cccc(Cl)c1O 1457035879 LIVBOCBRITUWBS-UHFFFAOYSA-N 318.804 3.391 10 10 DGCE C[C@H](Cn1ccc2ccccc21)C(=O)NCc1c(O)cccc1O 1472063664 QCRFYKRMCDOQIY-CYBMUJFWSA-N 324.380 3.005 10 10 DGCE CCC(C)(C)C(=O)N[C@H](C)[C@H](C)NCc1ccc(OC)c(C)c1 1485185865 AASRBNPYJUGJDM-LSDHHAIUSA-N 320.477 3.423 10 10 DGCE COc1cc(NC(=O)c2cccc(O)c2O)cc(OC)c1Cl 1629589488 NVYXAXOUDLGASO-UHFFFAOYSA-N 323.732 3.021 10 10 DGCE Cc1ccc(O)c(CNCc2csnc2Br)c1 1925351461 JWJFSCHVEHJHDQ-UHFFFAOYSA-N 313.220 3.209 10 10 DGCE CCO[C@@H](C(=O)NCc1c(O)ccc2ccccc12)C(C)C 1647791150 LSCRZPHXFDLZRD-QGZVFWFLSA-N 301.386 3.223 10 10 DGCE CS(=O)(=O)c1cccc(Sc2ncc(Cl)s2)c1 1643102831 YOJRQOLAPFKWSM-UHFFFAOYSA-N 305.833 3.351 10 10 DGCE Cc1ccc2c(CC(=O)NCc3cc(O)ccc3O)coc2c1 1651223193 YXUWFDVQXKPPLY-UHFFFAOYSA-N 311.337 3.011 10 10 DGCE CCCN[C@@H](c1ccccc1O)C1(NC(=O)OC(C)(C)C)CC1 1936984216 UTUPWKYZJQLYPJ-HNNXBMFYSA-N 320.433 3.490 10 10 DGCE Oc1cc(Br)ccc1CNc1cncc(Cl)n1 1943057615 YSVQXWSNWWQEPZ-UHFFFAOYSA-N 314.570 3.210 10 10 DGCE Nc1ccc(CNCCc2sccc2Br)cc1 1944063430 IHBWYUSBFPCOLX-UHFFFAOYSA-N 311.248 3.425 10 10 DGCE CN[C@H](c1ccccc1O)[C@]12C[C@](NC(=O)OC(C)(C)C)(C1)C2 1903070992 ZCNRVMWBBWNLEK-OLMNPRSZSA-N 318.417 3.100 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H]1CNCc1c(O)cccc1F 1976871833 AZYBZVPJTMONDK-LBPRGKRZSA-N 324.396 3.020 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(N)cc2)C2(CC2)C1 1977939443 QCZWPEYWGQGLQB-CQSZACIVSA-N 317.433 3.295 10 10 DGCE CCCNCc1ccc(N2C[C@H](F)[C@H](OC)C2)cc1Cl 2146478533 LUXGZXAHPBIKQZ-LSDHHAIUSA-N 300.805 3.013 10 10 DGCE C[C@@H]1CCN(Cc2ccccc2)CCN1Cc1ccc(N)cc1 1990947739 CNQMADMMNNHDLH-QGZVFWFLSA-N 309.457 3.365 10 10 DGCE c1ccc2[nH]c(Sc3ncc(CNC4CC4)s3)nc2c1 2155328899 QFWQUENQZIWVGA-UHFFFAOYSA-N 302.428 3.423 10 10 DGCE CCc1nn(Cc2ccc(N)cc2)c(CC)c1Br 2032362285 HYQBJNPAJHNCFL-UHFFFAOYSA-N 308.223 3.401 10 10 DGCE C[C@H]([C@H]1CCCCO1)N(C)c1cc(Cl)c(CN)cc1F 2177380464 DWIAQUUMDBEANT-MEBBXXQBSA-N 300.805 3.332 10 10 DGCE CN[C@H](C)c1ccc(N(C)[C@@H](CCO)C(F)F)cc1Cl 2178502335 YLIJRYHKLCDZAP-RNCFNFMXSA-N 306.784 3.073 10 10 DGCE Cc1ccc(CN(C)c2ccc(CO)cc2Br)nc1 2105379129 JAXQGFCAEHAFKT-UHFFFAOYSA-N 321.218 3.281 10 10 DGCE CN1C(=O)C(=Cc2ccc(N(C)C)cc2Cl)SC1=S 2295089907 NRQVYBQURKOHIB-UHFFFAOYSA-N 312.847 3.237 10 10 DGCE CN1CCc2cc([C@H](O)[C@@H](N)c3cc(Cl)cs3)ccc21 2290201995 JCXBKDWVCMYMQE-GJZGRUSLSA-N 308.834 3.127 10 10 DGCE CSc1ncc(CNCc2cc(F)ccc2[N+](=O)[O-])s1 2284639267 UETKQOQIJXVLRX-UHFFFAOYSA-N 313.379 3.202 10 10 DGCE CSc1ncc(CNC[C@@]23CCCC[C@H]2NCCC3)s1 2284709705 FQIWNRRUCNUPPO-HIFRSBDPSA-N 311.520 3.267 10 10 DGCE CCC1=NN(C)C(=O)C1=Cc1cc(Br)ccc1F 2332129667 AOHDPMMUUYHLJD-UHFFFAOYSA-N 311.154 3.210 10 10 DGCE Cc1ccc(CN2CC(C)(C)OC2=O)c(O)c1Br 2327796060 AWYDPEHVPCENRF-UHFFFAOYSA-N 314.179 3.194 10 10 DGCE COc1ccc(N2C[C@H](N)C[C@@H](CC(C)(C)C)C2)cc1OC 108212084 ITKUGAXZZXPZJE-UONOGXRCSA-N 306.450 3.294 10 10 DGCE Cc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]32)c(O)c1Br 2352944586 JTGOZRYFIWOHHH-RYUDHWBXSA-N 324.218 3.364 10 10 DGCE O=C(NC1CCN(Cc2ccccc2O)CC1)C1CCCCC1 179564789 QZBIKINCTWXFLY-UHFFFAOYSA-N 316.445 3.053 10 10 DGCE Nc1ccc(CCC(=O)[C@H]2CCO[C@@]3(CCSC3)C2)cc1 124652349 XYEQWPVNHGRIIH-YOEHRIQHSA-N 305.443 3.073 10 10 DGCE CCC[C@@H]1CCCCN1c1cc2c(cc1Cl)[C@H](N)C(=O)N2 211430619 SGARLLCSMQJHBS-BMIGLBTASA-N 307.825 3.451 10 10 DGCE CCc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)oc1CC 186406625 JJIUDCUAFDDSBB-NSHDSACASA-N 317.385 3.177 10 10 DGCE Cc1ccc(O)c([C@@H](C)NC2CC(NC(=O)OC(C)(C)C)C2)c1 227579527 BFZWYDSILDDJNP-IYXRBSQSSA-N 320.433 3.407 10 10 DGCE CCN(CCC(=O)O)C(=O)c1cc(C)n(-c2ccccc2)c1C 236826187 DVCANOHVZSHAKO-UHFFFAOYSA-N 314.385 3.031 10 10 DGCE CN[C@@H](C)c1ccc(N2CCC[C@H](C(F)(F)F)C2)cc1O 93671903 QGFALEDDKHMRKE-QWRGUYRKSA-N 302.340 3.451 10 10 DGCE Cc1cc(Cl)cc(CNCC(C)(C)C(=O)N2CCCC2)c1O 529683089 YIGUQMVBPFUYKO-UHFFFAOYSA-N 324.852 3.092 10 10 DGCE CCc1noc(C)c1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O 293676019 JZEVFNNRLDZIDI-VIFPVBQESA-N 305.334 3.010 10 10 DGCE Oc1c(Br)cccc1CNc1nc(C2CCC2)no1 828030184 BVFZDFOGHMYKAT-UHFFFAOYSA-N 324.178 3.417 10 10 DGCE CC1CCN(c2ccc(CNC(=O)N3C[C@@H](C)[C@H]3C)cc2)CC1 838375185 DBEQUIONOBDHIP-HZPDHXFCSA-N 315.461 3.473 10 10 DGCE CCC[C@@H](NC(=O)NCc1cccc(OC)c1O)C(C)(C)C 838657168 AXNBMSSTTXDOQO-CQSZACIVSA-N 308.422 3.415 10 10 DGCE O=C(NCc1ccccc1O)[C@H]1C[C@@H]1c1cccc(Cl)c1 748345382 BEXUKTVUWBREDF-CABCVRRESA-N 301.773 3.466 10 10 DGCE C[C@H](CNC/C=C\c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C 848564741 HSDHUHHGJJOLCI-ZPIQOJFGSA-N 318.461 3.333 10 10 DGCE CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CCF)cc1 912111795 ZEQPMFBOMOCIFP-UHFFFAOYSA-N 306.303 3.003 10 10 DGCE Cc1ccc([C@@H](C)NC[C@@]2(CO)CCc3ccccc32)c(O)c1 846181404 ZQSDDEJNTJIBNP-FOIQADDNSA-N 311.425 3.228 10 10 DGCE COc1ccc(N(C[C@@H](OC)[C@@H]2CCOC2)C(C)C)cc1F 851835666 DGEDLVHHFGOVGI-CXAGYDPISA-N 311.397 3.101 10 10 DGCE COCCN(C[C@H](C)O)c1ccc(OCc2ccccc2)cc1 1899882049 GWJLZQZEWXASSR-INIZCTEOSA-N 315.413 3.099 10 10 DGCE Cc1ccc([C@H](C)N[C@H]2C(=O)N(C)Cc3ccccc32)c(O)c1 857875347 KVWGWWHCVGDWNU-SCLBCKFNSA-N 310.397 3.065 10 10 DGCE CN(C)c1ccc(CN2CC3(CCCO3)C2)c(C(F)(F)F)c1 862484386 MQMVVQXRPNKCCW-UHFFFAOYSA-N 314.351 3.136 10 10 DGCE CN(Cc1ccccc1O)C(=O)c1coc(C2CCCC2)n1 769712416 UHSGNSACAKLQLE-UHFFFAOYSA-N 300.358 3.310 10 10 DGCE Cc1ccc(C(=O)NCCCc2cccc(Cl)c2)c(O)c1O 1139738732 CXKQEYPZHGTQGR-UHFFFAOYSA-N 319.788 3.422 10 10 DGCE CSCCCN(C)C(=O)c1cc2cc(O)c(O)cc2s1 897657334 PIEYSHNYTOIFFV-UHFFFAOYSA-N 311.428 3.138 10 10 DGCE COc1cc(C)cc(CN[C@@H](C2CCC2)[C@H]2CCOC2)c1O 895453369 BZPGGTRAJAKNLZ-YOEHRIQHSA-N 305.418 3.004 10 10 DGCE C[C@H](O)c1ccc(N2C[C@H]3C[C@H]2CS3)cc1C(F)(F)F 705543860 RYHUCUGIXPLGOF-INTQDDNPSA-N 303.349 3.453 10 10 DGCE C[C@@H](C(=O)O)N(Cc1ccccc1)[C@@H](C)c1cc(O)ccc1O 1902368388 YFDFAYNBYGKETG-STQMWFEESA-N 315.369 3.134 10 10 DGCE [N-]=[N+]=NC[C@H]1CCN(C(=O)c2cc3c(s2)CCSC3)C1 1912198785 KSPRCZJVICYFKK-SECBINFHSA-N 308.432 3.310 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN(C(=O)c2ncccc2Br)C1 1912174254 XBKSOHVSTVDIHF-VIFPVBQESA-N 324.182 3.007 10 10 DGCE CCCCN(CCOC)C(=O)c1cc2cc(O)c(O)cc2s1 1353622070 QQTKLAVFWQDBKR-UHFFFAOYSA-N 323.414 3.201 10 10 DGCE COc1ccc(CNC[C@H](C)N(C)C(=O)[C@@H](C)C(C)C)cc1C 1271128516 CZFLNOPHRDOPCE-HOTGVXAUSA-N 320.477 3.232 10 10 DGCE NCc1cc(F)c(N(Cc2ccccc2)[C@@H]2CCOC2)c(F)c1 1915479215 ZGHQMBFIVFQRME-OAHLLOKOSA-N 318.367 3.219 10 10 DGCE COc1cc(C2(C(=O)NCc3ccccc3O)CC2)ccc1C 1294925887 UIYQJTRCHFERGO-UHFFFAOYSA-N 311.381 3.057 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)c1ccc(F)c(F)c1F 1452935500 HWBQUAHVCALBLC-UHFFFAOYSA-N 315.678 3.393 10 10 DGCE COc1ccc(N(CCNC(=O)OC(C)(C)C)CC2CC2)cc1 1460133157 WSCMYIDZEDLGOV-UHFFFAOYSA-N 320.433 3.436 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H]2c2cccnc2)cc1 1539474754 PZIDUXIHAMDWQQ-OAHLLOKOSA-N 323.356 3.221 10 10 DGCE CCOC(=O)[C@@H]1C[C@H]1CN(C)c1ccc(-c2nccs2)cc1 1618414302 AVYDPEAWVBQWAK-DZGCQCFKSA-N 316.426 3.446 10 10 DGCE CCCCCC[C@@H](O)CCC(=O)NCc1c(O)cccc1F 1471976341 XADSTYYDMWATIP-CYBMUJFWSA-N 311.397 3.259 10 10 DGCE Cc1ccccc1[C@@H]1C[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 1628590341 XMBWUZDWRFAOKJ-KBUFDJFCSA-N 309.365 3.092 10 10 DGCE Cc1cccc(C(C)(C)CNC(=O)Cc2ccc(O)c(O)c2)c1 1627133342 UZAWDWGRGGGJDT-UHFFFAOYSA-N 313.397 3.043 10 10 DGCE O=C(c1c(F)ccc(O)c1O)N1CC(c2ccc(Cl)cc2)C1 1638699063 GSEKGCAHXHRKCK-UHFFFAOYSA-N 321.735 3.130 10 10 DGCE COc1cc(Cl)ccc1OC(=O)/C=C\c1ccc(O)c(O)c1 1639383350 QYJRKHMVPMZKGX-CLTKARDFSA-N 320.728 3.379 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1COC(C)(C)C1 1636867448 ATGYGQLXYNOXDV-ZDUSSCGKSA-N 318.442 3.453 10 10 DGCE CCN(CCNCc1ccc(OC)c(C)c1)C(=O)C1=CCCC1 1699175370 ITDXQTIJCNGPDC-UHFFFAOYSA-N 316.445 3.052 10 10 DGCE CC(C)C[C@H](N)C(=O)Nc1ccc(Oc2ccc(N)cc2)cc1 1865917003 HWFIZUWJXJIEEN-KRWDZBQOSA-N 313.401 3.373 10 10 DGCE CCCOc1ccc(N2CC[C@@H](CNC[C@H]3CCCO3)C2)cc1 249794986 FFLWZWHWUPPCLN-QFBILLFUSA-N 318.461 3.070 10 10 DGCE C[C@@H]1CC[C@@H]([C@@H](N)c2ccccc2O)N(C(=O)OC(C)(C)C)C1 1936987874 WOHCGMRRKAVTBX-INWMFGNUSA-N 320.433 3.428 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1CCCN2c1ccc(N)cc1 1895767700 CDEUGXJSOOBIEM-HZPDHXFCSA-N 317.433 3.247 10 10 DGCE Oc1c(Cl)cccc1CN[C@H]([C@@H]1CCOC1)C(F)(F)F 2143639553 VFVKMZQBQNOVQL-BXKDBHETSA-N 309.715 3.103 10 10 DGCE CCCC1CN(c2ccc(CN)c(Br)c2F)C1 1946875079 SGGLWBYYGWCBBK-UHFFFAOYSA-N 301.203 3.283 10 10 DGCE C[C@@H](O)c1ccc(N2CC3(F)CC2C3)cc1Br 2002410359 JCFIYYVZMHXBHH-NCZMNARYSA-N 300.171 3.193 10 10 DGCE CN1CCc2cc([C@H](O)[C@H](N)c3sccc3Cl)ccc21 2148558768 SMMSLGLHLYMNBG-KBPBESRZSA-N 308.834 3.127 10 10 DGCE CC12COC(CNCc3cc(Cl)cc(Cl)c3O)(C1)C2 1973323493 UEZPOSYPEZJCRR-UHFFFAOYSA-N 302.201 3.358 10 10 DGCE CN(C)c1ccc([C@@H](O)[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)cc1 1977958538 NCKYQYIULDUPRI-IJEWVQPXSA-N 320.433 3.089 10 10 DGCE C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1Cc1ccc(N)cc1 1986116173 UGLPDKRWMOODOO-CJNGLKHVSA-N 319.449 3.146 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)CN1c1ccc(N)cc1 1988712825 YXPXSXKCHLRPHE-CYBMUJFWSA-N 319.449 3.493 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H](C2CN(CCCCN=[N+]=[N-])C2)C1 1991231283 YTKJAVKBMGTPLG-CYBMUJFWSA-N 323.441 3.266 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@H]2Oc1ccc(N)cc1 1992464967 HYFCVPQQTSSQQF-UAXWRAGISA-N 318.417 3.339 10 10 DGCE C[C@H]1CCN(c2ccc(CN)c(Br)c2F)C[C@H]1F 2034816981 WKESALIPBALXBE-WCBMZHEXSA-N 319.193 3.231 10 10 DGCE CC1(C)CSCCN1c1ccc(CN)c(C(F)(F)F)c1 2170972446 MRAHRNFPBBAPDR-UHFFFAOYSA-N 304.381 3.496 10 10 DGCE CCNCc1cc(F)c(N2CCSCC[C@@H]2C)c(F)c1 385483557 BABBGBFSNCYPNQ-NSHDSACASA-N 300.418 3.406 10 10 DGCE Cc1ccc(O)c([C@@H](C)n2nc(C(C)C)cc2C(=O)N(C)C)c1 2070084006 MTLIAUGRZSGVCR-CYBMUJFWSA-N 315.417 3.332 10 10 DGCE COc1ccc(O)c([C@@H](C)n2ncc(C)c2Br)c1 2070301902 PFMLXVAFBGGPIO-SECBINFHSA-N 311.179 3.278 10 10 DGCE C[C@H](N)c1ccc(N2CCS[C@@H]3COCC[C@@H]32)c(Cl)c1 2170487709 SCLHNDVWFUFKTP-NZVBXONLSA-N 312.866 3.070 10 10 DGCE CCc1nn(Cc2cc(Cl)ccc2O)c(N)c1C(F)F 2079685308 BAZFLRCYZYUEMC-UHFFFAOYSA-N 301.724 3.373 10 10 DGCE CC[C@H](COC)N(C)c1ccc([C@@H](C)N)cc1Br 2047310747 ZONZIFSUTUBJRD-ZYHUDNBSSA-N 315.255 3.330 10 10 DGCE CN(c1ccc(CO)cc1Br)[C@@H]1[C@H]2C[C@H]2[C@H]2C[C@H]21 2047812170 NNBKNPRQKDGQMA-HSKKSDQVSA-N 308.219 3.032 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@@H]3C[C@@H]3[C@H]3C[C@H]32)cc1Br 2053731496 WKYOMPVZTNEWKI-DEEIYTSESA-N 307.235 3.313 10 10 DGCE Cc1onc(CN2CCC[C@H](N=[N+]=[N-])CC2)c1Br 2055413807 SENAAGGFHYBKSG-VIFPVBQESA-N 314.187 3.410 10 10 DGCE Cc1cc(Br)ncc1CN(C)c1ccc(N)cc1 2057189946 FTHQVZKRGHOPGH-UHFFFAOYSA-N 306.207 3.371 10 10 DGCE CC[C@@H]1CC[C@@H](CNCc2cccc(Br)c2O)O1 2081655680 KQULKXNOOADXCL-NEPJUHHUSA-N 314.223 3.202 10 10 DGCE Cc1cc(CN)ccc1N(C)C[C@@]1(Br)CC1(F)F 2082509780 JIPWHCVESDHUSA-LBPRGKRZSA-N 319.193 3.063 10 10 DGCE COc1ccc(Br)c(OCc2ccc(N)cc2)c1N 2270560675 MCYQCOMPYITBCR-UHFFFAOYSA-N 323.190 3.201 10 10 DGCE CCCn1nc(Br)cc1N(C)Cc1ccccc1O 2226857790 FCTFNICIURAPJB-UHFFFAOYSA-N 324.222 3.398 10 10 DGCE C[C@H](NC[C@@H]1CC[C@H]1NC(=O)OC(C)(C)C)c1ccccc1O 2244704100 MVMJQETTZHHVIF-KCQAQPDRSA-N 320.433 3.346 10 10 DGCE COc1c([C@@H](N)c2ccc3c(c2)CCN3C)csc1Cl 2284284365 DXGQISRSVVQEIJ-ZDUSSCGKSA-N 308.834 3.451 10 10 DGCE O=C(O)C1CCN(N=Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 2330196979 OMEQIUHNKRCZMX-UHFFFAOYSA-N 312.713 3.044 10 10 DGCE CCCOC(=O)c1cccc(N=NN(C)CCC(=O)OCC)c1 2330233087 YLYNRLRZLYKBFR-UHFFFAOYSA-N 321.377 3.137 10 10 DGCE Cc1ccc(CNC(=O)[C@@H]2C[C@H]2C2CC2)c(O)c1Br 2352942571 HDPJHMDIRYGYSK-NWDGAFQWSA-N 324.218 3.125 10 10 DGCE CCCN/C(C)=C1/C(=O)N(c2nc3ccccc3s2)N=C1C 103830412 BRCMTYWHBUUPCB-GXDHUFHOSA-N 314.414 3.292 10 10 DGCE Cc1cc(C(=O)NCC[C@@H](C)N)c(C)n1-c1ccc(Cl)cc1 178612325 SKWUGQOYRZRMKX-LLVKDONJSA-N 319.836 3.215 10 10 DGCE CSc1ccc(/C=C2/SC(N3CCCC3)=NC2=O)cc1 20289275 SPLRJYIYHKDQOZ-JLHYYAGUSA-N 304.440 3.475 10 10 DGCE CCN(Cc1ccc(N)cc1)C(=O)c1cc2c(s1)CCC2 35361106 GVGSCAJJXYNNGN-UHFFFAOYSA-N 300.427 3.481 10 10 DGCE Cc1ccc(S(=O)(=O)N(C)[C@@H](C)c2ccccc2O)cc1 38089848 AHGRKXIYNAPBSP-ZDUSSCGKSA-N 305.399 3.082 10 10 DGCE C[C@@H](NCCOc1ccc(C#N)cc1)c1cc(F)ccc1O 186080422 PVUJDRYCCWOQCD-GFCCVEGCSA-N 300.333 3.133 10 10 DGCE COc1ccc(O)c(CN2C[C@@H](c3ccccc3)OC[C@@H]2C)c1 180021832 FIMHPVSPNJSPDG-LIRRHRJNSA-N 313.397 3.363 10 10 DGCE Cc1ccc(S(=O)(=O)N(Cc2ccc(N)cc2)C(C)C)s1 35365340 MDLURHZVIPEDEX-UHFFFAOYSA-N 324.471 3.238 10 10 DGCE CCOC(=O)c1nnc2ccccc2c1Sc1nccs1 81668734 UVULDTYCOVZEME-UHFFFAOYSA-N 317.395 3.414 10 10 DGCE Cc1ccc(C(=O)NCC2CC2)cc1NCc1ccccc1O 190359210 LTIQINAWWIWKFW-UHFFFAOYSA-N 310.397 3.453 10 10 DGCE COC(=O)[C@@H](NCCN=[N+]=[N-])c1cc(Cl)cc(Cl)c1 90257161 RVJMMDWMWHUZTK-JTQLQIEISA-N 303.149 3.107 10 10 DGCE c1cc(N2CCOCC2)ccc1CN1C[C@H]2CCCC[C@@H]2C1 93441970 GKKNWJWZXRGXBS-QZTJIDSGSA-N 300.446 3.145 10 10 DGCE C[C@H]1C[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)C[C@@H](C)O1 245703904 BSHPJDAEHSVMHZ-SCAQPMJSSA-N 316.445 3.107 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CC[C@]3(CCCOC3)C2)c1O 375284846 VEYDPBDYGYYMFL-QGZVFWFLSA-N 323.820 3.251 10 10 DGCE Oc1cc2c(cc1CN1CCOc3cccc(F)c3C1)CCC2 800854931 CPEPHUQEPJDDPR-UHFFFAOYSA-N 313.372 3.415 10 10 DGCE Oc1cccc(Cl)c1CN[C@@H]1CCO[C@@H](c2cccnc2)C1 295103046 VFMDIFRRYKVKNV-CXAGYDPISA-N 318.804 3.451 10 10 DGCE CCN(CC)c1ccc(CNC(=O)C[C@H](O)CC(C)(C)C)cc1 813414314 KMZICOMBRFBXHF-KRWDZBQOSA-N 320.477 3.336 10 10 DGCE CN(C)c1ccc(CNC(=O)N2CCC(C)(C3CC3)CC2)cc1 811808507 LUEJMZAIHICPDS-UHFFFAOYSA-N 315.461 3.474 10 10 DGCE Cc1cc(F)ccc1[C@H](O)CNCc1ccc(N(C)C)cc1 818941956 UUKGXDVXKYOWNB-GOSISDBHSA-N 302.393 3.023 10 10 DGCE COc1ccc(O)c(CNc2ncc(C(F)(F)F)s2)c1 811805463 UKVVDKDOZVLHHG-UHFFFAOYSA-N 304.293 3.488 10 10 DGCE COc1cc(CN2C[C@@H](C)C(O)[C@H](C)C2)c(O)c(C(C)(C)C)c1 827147683 VPDQMHDRGXPXGU-CHWSQXEVSA-N 321.461 3.147 10 10 DGCE COc1cccc(CNC(=O)N[C@@H](C)c2cccc(C)c2)c1O 838732559 PSCDNDSIOLBUKS-ZDUSSCGKSA-N 314.385 3.270 10 10 DGCE Cc1cccc(O)c1CN[C@]12C[C@H]1CN(Cc1ccccc1)C2 1894376662 PNMRWWBJQGBKHM-PXNSSMCTSA-N 308.425 3.065 10 10 DGCE COc1ccc(O)c(CNC(=O)[C@@H]2CCCC[C@@H]2C2CC2)c1 843830282 FMHPWJSQZSOETN-HZPDHXFCSA-N 303.402 3.233 10 10 DGCE COC[C@H](CC(C)(C)C)NCc1ccc(N2CCOCC2)cc1 845924723 CRINQCACLZLKDV-KRWDZBQOSA-N 320.477 3.064 10 10 DGCE Cc1ccc2[nH]cc(CCC(=O)NCCc3ccc(N)cc3)c2c1 846666944 XMCPJDFEOSDCLB-UHFFFAOYSA-N 321.424 3.350 10 10 DGCE Cc1cc(O)c(CNCCC(=O)NC2CCCCC2)c(Cl)c1 840884123 ZJEOLLASBXPZEU-UHFFFAOYSA-N 324.852 3.283 10 10 DGCE Cc1cc(Cl)cc(CN(CCN)Cc2ccccc2)c1O 843059198 FWCUDBGFLKKJHO-UHFFFAOYSA-N 304.821 3.315 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1C[C@H](COc2ccc(N)cc2)[C@@H]2C[C@@H]12 1897329990 PLWSSTUVNGNQJM-MSQAHXEGSA-N 318.417 3.197 10 10 DGCE CC[C@H](C)[C@H](C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855224170 FHLYIXRCSWOJAI-KKUMJFAQSA-N 304.434 3.072 10 10 DGCE Oc1c(F)cc(F)cc1CN[C@H]1c2ccccc2OC[C@@H]1F 922520849 FTHCCNVIDWBIQF-ZFWWWQNUSA-N 309.287 3.232 10 10 DGCE Cc1ccc(O)c([C@H](C)NC[C@]2(C(F)(F)F)CCCN2)c1 925855831 PROGJTOGTTXADC-FZMZJTMJSA-N 302.340 3.036 10 10 DGCE CN(C)c1ccc(/C=C/c2ccn(C3CCNCC3)c(=O)c2)cc1 57798873 DVGFRMQIZRGORH-ONEGZZNKSA-N 323.440 3.009 10 10 DGCE C[C@@H]1CCN(C(=O)NCCCSc2nccs2)C[C@@H]1F 779363496 FVLMQYWLFXSTHW-MNOVXSKESA-N 317.455 3.015 10 10 DGCE CC[C@@H](COC)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C 1126399875 GWEFPAQJYQOFMN-KRWDZBQOSA-N 314.429 3.178 10 10 DGCE c1cc(N2CCCCC2)ccc1CN1CCOCC2(CC2)C1 783594734 IVQJURCBGDVBMO-UHFFFAOYSA-N 300.446 3.289 10 10 DGCE CC(C)(C)c1cc(O)c(O)c(CN2CC[C@]3(CCCOC3)C2)c1 789545425 LJOIOJRWFVHBSU-LJQANCHMSA-N 319.445 3.398 10 10 DGCE CSC1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CCC1 897597319 HWNKXEPCWDQPPS-UHFFFAOYSA-N 323.439 3.328 10 10 DGCE CC(C)C[C@@](C)(O)CNCc1c(O)cccc1Br 706828537 GTPBPIIXNBYLIK-CQSZACIVSA-N 316.239 3.041 10 10 DGCE CC(C)C[C@](C)(O)CNCc1ccc(Br)cc1O 691490289 WFNQFBUSXFSYHP-AWEZNQCLSA-N 316.239 3.041 10 10 DGCE C[C@@H]([C@H](N)c1ccc(N(C)C)cc1)N(C)C(=O)OC(C)(C)C 1959563319 ZOBBRQCFNGQQJD-WFASDCNBSA-N 307.438 3.008 10 10 DGCE CN(C)c1cc(F)c(CNC2CC(N3CCCCC3)C2)cc1F 1328703065 MQJLMHWCDXPEFA-UHFFFAOYSA-N 323.431 3.137 10 10 DGCE Cc1ccc(C(=O)N[C@@H]2c3ccccc3CC[C@@H]2C)c(O)c1O 1546172274 RSZCGXLCHDDPAM-ZBEGNZNMSA-N 311.381 3.460 10 10 DGCE CCc1ccc2occ(C(=O)NCc3c(O)cccc3O)c2c1 1558536156 VBJKBXUSJIWKSM-UHFFFAOYSA-N 311.337 3.336 10 10 DGCE CCCN[C@@H](c1ccccc1O)[C@@H](C)NC(=O)OC(C)(C)C 1928473434 BDZAXLHGGREFMW-IUODEOHRSA-N 308.422 3.346 10 10 DGCE Cc1cccc(/C=C2/SC(=S)N(CCCN(C)C)C2=O)c1 1858589138 IVPMSYCASAKILE-SDNWHVSQSA-N 320.483 3.148 10 10 DGCE CCCOC(=O)c1ccc(/N=N/N2C[C@H](C)O[C@H](C)C2)cc1 1860482582 UYRXZRQQZSHBMC-SDBJCMBSSA-N 305.378 3.361 10 10 DGCE CC[C@H](NCc1ccncn1)c1cc(Br)ccc1O 234041512 ZJDBKNWUEIXHQU-ZDUSSCGKSA-N 322.206 3.186 10 10 DGCE C[C@@H]1[C@@H](CNCc2cc(Br)ccc2O)C1(F)F 1947977373 GMLCZFVQSPVEJJ-GMSGAONNSA-N 306.150 3.146 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CC[C@H]2Nc1ccccc1N 1977659775 QUTIGAMQHPISQB-UMVBOHGHSA-N 317.433 3.469 10 10 DGCE NC(=O)c1ccc(NCc2cc(Cl)ccc2O)cc1Cl 37121392 LGXPUDNWKXHGCR-UHFFFAOYSA-N 311.168 3.410 10 10 DGCE CC1(C)CSCCN1c1ccc(CN)cc1Br 2004177175 OCKNYGVJWJATHX-UHFFFAOYSA-N 315.280 3.240 10 10 DGCE C[C@@H](CN1CCCC1)NCc1cc(Cl)cc(Cl)c1O 49149576 VAALCGOSJSWEAO-JTQLQIEISA-N 303.233 3.273 10 10 DGCE CN(CC1[C@H]2CCC[C@H]12)c1ccc(CN)cc1Br 2032801127 KAAPNJUAVUMHMN-RYUDHWBXSA-N 309.251 3.390 10 10 DGCE NCc1ccc(N2C[C@H]3C[C@H]2C(F)(F)C3)c(Br)c1 2038340136 UNVFOMPGQCJESY-CABZTGNLSA-N 317.177 3.142 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)c2cccc(Br)c2)C1 403635855 GHVPJDTUQIVYRM-LLVKDONJSA-N 309.167 3.364 10 10 DGCE CNCc1cc(F)c(N(C)[C@H]2CCC[C@H]2SC)c(F)c1 707685860 PQCDWNIANZOBDM-UONOGXRCSA-N 300.418 3.405 10 10 DGCE C[C@H](N[C@@H]1CCCCC12OCCO2)c1ccc(N(C)C)cc1 715672300 GAKOWCUNNUSJRJ-WMLDXEAASA-N 304.434 3.089 10 10 DGCE CCN(CC(F)F)c1ccc(CN)c(Br)c1F 386219903 ZYKQAPPSLHRGOX-UHFFFAOYSA-N 311.145 3.138 10 10 DGCE Nc1ccc(-n2nnnc2-c2ccc(Cl)cc2Cl)cc1 2060410829 KEXSGGVZQFEVHR-UHFFFAOYSA-N 306.156 3.218 10 10 DGCE Cc1cccc(Cn2nc(C)c([N+](=O)[O-])c2C(F)(F)F)c1O 2079234715 DOTPPRQLALPPOL-UHFFFAOYSA-N 315.251 3.181 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2C[C@@H](F)C[C@@H](F)C2)c1O 2182568451 ZOGUPSARRYLBGC-TXEJJXNPSA-N 303.736 3.130 10 10 DGCE COc1ccc(N(C)Cc2cc(Br)co2)c(N)c1 2050634832 OXBVGTIKRISCGJ-UHFFFAOYSA-N 311.179 3.269 10 10 DGCE Oc1cccc(Br)c1CNc1ccc2nccn2c1 2103647739 GWABFMBMIZJGQQ-UHFFFAOYSA-N 318.174 3.415 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN1Cc1nscc1Br 2211138430 UWDUSGQNOOBRQT-SSDOTTSWSA-N 302.201 3.180 10 10 DGCE CN(C[C@@H](O)c1cccc(Br)c1)c1ccc(N)cc1 2113403860 RHFNIZHFGMQKAG-OAHLLOKOSA-N 321.218 3.201 10 10 DGCE Cc1cc([C@@H](C)O)ccc1N1CC2(CN(Cc3ccccc3)C2)C1 2217385115 SBCQMZQTAJCYNE-QGZVFWFLSA-N 322.452 3.371 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@H]1NC(=O)c1cnc(Cl)c(Cl)c1 2225794554 GWVGZYKUIIDECD-BDAKNGLRSA-N 300.149 3.350 10 10 DGCE Cc1cc(N2CC(N(C)Cc3ccccc3)C2)ccc1[C@@H](C)N 2243951632 ABUGEWOMRDUBQC-MRXNPFEDSA-N 309.457 3.335 10 10 DGCE CCCc1csc(NC(=O)C=Cc2ccc(O)c(O)c2)n1 2308009384 ZKGJFOPDIRFAPE-UHFFFAOYSA-N 304.371 3.159 10 10 DGCE Cc1ccc(C=CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 2308464759 JJBCTZZSIAABBL-CQSZACIVSA-N 311.381 3.167 10 10 DGCE CC1=NN(c2ccc(C)cc2)C(=O)C1=Cc1ccc(O)cc1O 2332096006 PHGZMVDOKBLHAL-UHFFFAOYSA-N 308.337 3.212 10 10 DGCE Cc1ccc(CN2C[C@@H]3C[C@@H]3[C@@H]3C[C@@H]32)c(O)c1Br 2327803874 ITLWUOOMZPTSLB-CYDGBPFRSA-N 308.219 3.303 10 10 DGCE Brc1cc(CNC2CC2)ccc1N1C[C@H]2C=C[C@@H]1C2 2329322021 SRUPRQLVJLELIP-GXTWGEPZSA-N 319.246 3.466 10 10 DGCE CCCn1ccc(=NCc2ccc(C)c(Br)c2O)[nH]1 2352675151 CNCZBGGFZNNCIJ-UHFFFAOYSA-N 324.222 3.104 10 10 DGCE Cc1ccc(CNCc2cccnc2C)c(O)c1Br 2352687486 PNPHXPPUJMBNGO-UHFFFAOYSA-N 321.218 3.456 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)NCCC2CCCC2)c1 171733471 YSUYEAQHJQBASI-LBPRGKRZSA-N 306.406 3.341 10 10 DGCE COc1ccc(N2CCN(Cc3sc(C)nc3C)CC2)cc1 172730144 AOIKCJKJVKSUDH-UHFFFAOYSA-N 317.458 3.091 10 10 DGCE O=C1N[C@@H](C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CO1 1348619404 AVIZLSCUFVSOJI-CQSZACIVSA-N 310.313 3.149 10 10 DGCE CC(C)Cn1ccnc1CN[C@@H](C)c1ccc(F)c(F)c1O 187734426 NJBZJAHKCQJTOX-NSHDSACASA-N 309.360 3.374 10 10 DGCE COc1ccc(N2CCC[C@H](O)[C@@H]2C(F)(F)F)cc1Cl 2370181427 UCIBPNRUNRJLSJ-CMPLNLGQSA-N 309.715 3.241 10 10 DGCE CCN(C(=O)/C=C\c1cncc(C)c1)c1ccccc1C(=O)OC 255363675 HUPDSPLFOLYUEI-KTKRTIGZSA-N 324.380 3.243 10 10 DGCE O=C1N=C(N2CCCCC2)S/C1=C/c1cccnc1Cl 255405161 INZXVQPNWIINLK-PKNBQFBNSA-N 307.806 3.191 10 10 DGCE CN(C)c1ccc(CN[C@@H]2CCO[C@@H](c3cccnc3)C2)cc1 295120546 XFNNJHBXBDUOEI-IEBWSBKVSA-N 311.429 3.158 10 10 DGCE CC(C)N(Cc1cc(Br)ccc1O)[C@@H]1CCOC1 291313245 RULQRXYFZJOLBP-CYBMUJFWSA-N 314.223 3.154 10 10 DGCE Cc1cnccc1/C=C/C(=O)NCc1ccc(N2CCCC2)cc1 822495368 HAGRNEQEZWFHNQ-RMKNXTFCSA-N 321.424 3.320 10 10 DGCE C[C@H](NC[C@]1(c2ccccc2)C[C@H](O)C1)c1c(O)cccc1F 903272635 WHQNGZHHURFBTB-RFUYNDQBSA-N 315.388 3.275 10 10 DGCE O=C(NCc1ccc(O)cc1O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 910954965 BNUJUJVBPPHHAU-HZPDHXFCSA-N 315.344 3.047 10 10 DGCE CCCN(CCC)c1ccc(CN2CCC(NC)CC2)cc1 843049723 UBLHYVYZYGYDBO-UHFFFAOYSA-N 303.494 3.497 10 10 DGCE CCc1cccc(CNC2CCN(C(=O)OC(C)C)CC2)c1O 848897704 SXNIUCYQDWBWGX-UHFFFAOYSA-N 320.433 3.054 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCC[C@H]1C1CC1 843851882 SVIYKVGPTXQDKY-UHOFOFEASA-N 317.429 3.361 10 10 DGCE Cc1cc(C(=O)N(C)Cc2ccc[nH]2)c(C)n1-c1ccccn1 747421596 SPWHJHPBPSNMIC-UHFFFAOYSA-N 308.385 3.089 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)[C@@]2(C)CCCO2)cc1 755085115 RDKAOPGVXXKPBH-GOSISDBHSA-N 304.434 3.060 10 10 DGCE Cc1cc(CC(=O)N2C[C@H](F)[C@H](F)C2)c(C)n1-c1ccccc1 854781331 PZNGSFFLRWMYTQ-CALCHBBNSA-N 318.367 3.155 10 10 DGCE COc1ccc(N2CC[C@H](Nc3nc(C)c(C)s3)C2)cc1 853758922 MYKPRGHZAMRSAI-ZDUSSCGKSA-N 303.431 3.459 10 10 DGCE C[C@H](NC(=O)Nc1ccc(N)cc1)c1ccc2c(c1)CCCO2 853321961 WJGRRKKZZILQFZ-LBPRGKRZSA-N 311.385 3.477 10 10 DGCE CC(=O)N1CCc2c(NCc3ccc(F)c(F)c3O)cccc21 864033680 BKFZFLBYYLFXIC-UHFFFAOYSA-N 318.323 3.192 10 10 DGCE CCC[C@H]([C@@H](N)c1ccccc1O)N(C)C(=O)OC(C)(C)C 1958142392 GCFKGNOKEAZAAY-HIFRSBDPSA-N 308.422 3.428 10 10 DGCE COc1cc2c(cc1F)CN(Cc1ccc(N(C)C)cc1)CC2 777441079 WGBRIGBDJBLKQO-UHFFFAOYSA-N 314.404 3.459 10 10 DGCE CO[C@@]1(C(F)(F)F)CCN(Cc2c(O)cccc2Cl)C1 895577756 SNJLFLYMJVRDMZ-LBPRGKRZSA-N 309.715 3.199 10 10 DGCE Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2cnn[nH]2)c1 1138326115 SXLCTEJLAGTSHA-UHFFFAOYSA-N 315.764 3.118 10 10 DGCE CC(C)(C)OC(=O)N(C1CCC1)[C@@H](C(=O)O)c1ccccc1O 712344862 DFLGTKIYAMTOQQ-CQSZACIVSA-N 321.373 3.308 10 10 DGCE Cn1cc(Cl)cc1C(=O)NCc1c(O)ccc2ccccc12 1157037265 QDVVCWJZAOSKBU-UHFFFAOYSA-N 314.772 3.467 10 10 DGCE COc1ccc(O)c(CNc2cnc(C)c(Br)c2)c1 1660932846 CYICVVUHBKYVJR-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE COc1ccc(CNC(=O)NC[C@@H]2CCC=CCCC2)c(O)c1 1251539509 IKZPHBAGFCEANH-CQSZACIVSA-N 318.417 3.337 10 10 DGCE CC[C@@H](NCCc1ccc(OC)nc1)c1ccc(N(C)C)cc1 1334935030 NPQRLWDMVQWHNX-GOSISDBHSA-N 313.445 3.440 10 10 DGCE CC[C@@H](O)CN(Cc1ccccc1)c1ccc(CNC)c(C)c1 1915428242 NCQUFUXMRZZLOC-HXUWFJFHSA-N 312.457 3.492 10 10 DGCE Cc1cccc(-n2c(C)cc(CNC(=O)C3(C)COC3)c2C)c1 1534758549 ITSRTJJLQPBOMB-UHFFFAOYSA-N 312.413 3.055 10 10 DGCE C[S@@](=O)(=NC(=O)c1cc(O)cs1)c1cccc(Cl)c1 1558773873 BENOOFGCUSXZCG-IBGZPJMESA-N 315.803 3.404 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@]1(C)CCCO1 1629921154 UIFRMWKMQFNXSU-KRWDZBQOSA-N 318.442 3.455 10 10 DGCE CC(C)(C)N1CC[C@H]1C(=O)NCc1c(O)ccc2ccccc12 1639387518 MVWKUDXBQRMEIQ-INIZCTEOSA-N 312.413 3.034 10 10 DGCE C[C@@H](NCc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1O 1644183132 GPMXQHXWOFNPPG-SECBINFHSA-N 308.284 3.429 10 10 DGCE COC(=O)c1cnc(SCCc2noc3ccccc23)s1 1643951695 DPPREBYYEIUXQV-UHFFFAOYSA-N 320.395 3.406 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)Nc1ncnc2c1CCC2 1655579667 VWIOQLDLFGOOKK-AWEZNQCLSA-N 310.445 3.383 10 10 DGCE Cc1ccc2[nH]c(C(=O)NCc3cc(O)ccc3O)c(C)c2c1 1593872907 GAZMNGAGSPDUDW-UHFFFAOYSA-N 310.353 3.126 10 10 DGCE CCNCc1ccc(N(C)CCCOC)cc1C(F)(F)F 167377729 PPCCFHYITSGASD-UHFFFAOYSA-N 304.356 3.288 10 10 DGCE COc1cccc(CNC(=O)/C=C/c2c(F)cccc2F)c1O 155346922 PDSKGKLTNRREMI-CMDGGOBGSA-N 319.307 3.009 10 10 DGCE CC(C)(C)OC(=O)N[C@@](C)(C[C@H](N)c1ccccc1O)C1CC1 1936972629 GPDOUKGHGPMSLG-KSSFIOAISA-N 320.433 3.476 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCCN2CCN=[N+]=[N-])C1 1962305241 RLKAZRROQSRVKO-QWHCGFSZSA-N 309.414 3.018 10 10 DGCE O=C(O)[C@]12C[C@@H]1CCCN2Cc1cc(Cl)cc(Cl)c1O 2143929548 UBZUBGPPOONQRV-XPTSAGLGSA-N 316.184 3.138 10 10 DGCE C[C@H](N)c1ccc(N2CCC[C@@H]2CF)c(Br)c1 2004419144 CWVPWCQRAQHLIL-GXSJLCMTSA-N 301.203 3.407 10 10 DGCE Oc1cc(Br)ccc1CN1CC[C@@H](CCF)C1 1969936380 LBTNILJUYKFZSU-SNVBAGLBSA-N 302.187 3.336 10 10 DGCE C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[C@H](N)c1ccc(N(C)C)cc1 1977946666 WWYQJCYFFKNZIK-XEZPLFJOSA-N 321.465 3.302 10 10 DGCE Oc1cc(Br)ccc1CNCC1(Cl)CCC1 1991656756 GUTUXVTYSWLUSC-UHFFFAOYSA-N 304.615 3.406 10 10 DGCE Oc1cc(F)ccc1CNCc1csnc1Br 2024889121 AAFYZWJJBPMXOM-UHFFFAOYSA-N 317.183 3.040 10 10 DGCE C[C@H](N)c1ccc(N2CC(C(F)(F)F)C2)c(Br)c1 2034847369 RVKXFRWFNHXXAY-ZETCQYMHSA-N 323.156 3.467 10 10 DGCE CCN(CC)c1ccc(CNC[C@H](C)CC2(C)OCCO2)cc1 715918807 QJTDIRIVGSLXTJ-MRXNPFEDSA-N 320.477 3.412 10 10 DGCE COc1ccc([C@@H](C)n2nc(C3CCCC3)cc2N)c(O)c1 2070201220 HMFXDVBFXXUAAA-LLVKDONJSA-N 301.390 3.446 10 10 DGCE COC(=O)c1cnn([C@H](C)c2cc(C)c(C)cc2O)c1Cl 2070366379 XEQPQCFDCAOWPN-SNVBAGLBSA-N 308.765 3.255 10 10 DGCE C[C@@H](c1cc(Cl)ccc1O)N(C)[C@@H]1COCCC1(F)F 2168228698 XKSYNHGXWSDBHO-TVQRCGJNSA-N 305.752 3.463 10 10 DGCE CCc1nn(Cc2cccc(OC)c2O)c(N)c1C(C)(C)C 2079610396 YGLDUOBFPWUHNT-UHFFFAOYSA-N 303.406 3.088 10 10 DGCE C[C@H](N[C@H]1CS[C@H](C(F)(F)F)C1)c1ccc(O)cc1O 2189219536 BQKCJPQYNBLFTM-SXMVTHIZSA-N 307.337 3.185 10 10 DGCE CO[C@@H](CN(C)c1ccc(CO)cc1Br)C(C)C 2068167701 HTSRBSXOSGXHOS-AWEZNQCLSA-N 316.239 3.049 10 10 DGCE COC(=O)[C@](CSc1nccs1)(CC(C)C)NC(C)C 2207925515 IYIMVJIJSNNAJI-CQSZACIVSA-N 316.492 3.191 10 10 DGCE C[C@@H](N)c1ccc(N2CC[C@H](OC(F)(F)F)C2)c(Cl)c1 2238903747 HKMQTWZPPJEFCZ-SCZZXKLOSA-N 308.731 3.475 10 10 DGCE Nc1cccc(Br)c1N[C@@H]1CCCN(C2CC2)C1 2260325537 WZLLESBCYDTWNW-SNVBAGLBSA-N 310.239 3.070 10 10 DGCE CN1CCCc2cc([C@H](N)c3cocc3Br)ccc21 2270488011 DNSAVLJJHWANBD-HNNXBMFYSA-N 321.218 3.473 10 10 DGCE CC1(C[S@@](=O)Cc2ccc(N)cc2)CC(C(F)(F)F)C1 2287337586 ZOLCNZNZHYGOGD-IPIFVVFTSA-N 305.365 3.496 10 10 DGCE Cc1ccc(CN2O[C@H]3C=C[C@H]2CC3)c(O)c1Br 2327789219 KDLBGCUSYRVMIN-RYUDHWBXSA-N 310.191 3.298 10 10 DGCE CC(C)n1ncc(Br)c1CNCc1ccc(N)cc1 2342413571 VTJNEGMYRKVBAJ-UHFFFAOYSA-N 323.238 3.099 10 10 DGCE Cc1ccc(CNc2cnc3n2CCC3)c(O)c1Br 2352636088 JZMMJQIALOBDGH-UHFFFAOYSA-N 322.206 3.218 10 10 DGCE CC1=NC(=O)[C@H](/N=N/c2cccc(C(=O)O)c2)N1c1ccccc1 8680796 QRAKVWRIBCUSQM-FZFLATATSA-N 322.324 3.260 10 10 DGCE CCC[C@@H](CC)NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 108705622 QLWGSYHZMVWTIN-VGMNTSGFSA-N 316.445 3.231 10 10 DGCE CN(c1cc2c(cc1Cl)[C@H](N)C(=O)N2)C1CCCCCC1 118705474 ZYTRSZONWVMJOW-HNNXBMFYSA-N 307.825 3.451 10 10 DGCE CN(Cc1cc2c(cc1O)OCO2)[C@H]1CCc2ccccc2C1 114444889 VHOSFNYHGQXWMY-INIZCTEOSA-N 311.381 3.110 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCc1cccc(Cl)c1 170033000 RSDLVEQRGRXCDL-NSHDSACASA-N 319.788 3.246 10 10 DGCE CCNCc1ccc(N(C)C(C)(C)CO)cc1C(F)(F)F 126796804 HENPDEMVNXXRFZ-UHFFFAOYSA-N 304.356 3.022 10 10 DGCE NCc1ccc(N2CC[C@@H](OCc3ccccc3)C2)c(F)c1F 383810030 DXOVDBZVMRDKNZ-OAHLLOKOSA-N 318.367 3.219 10 10 DGCE COCCCN1C(=O)/C(=C\c2cccc(F)c2)SC1=S 255103915 TVBKDOHMANCSLU-FMIVXFBMSA-N 311.403 3.063 10 10 DGCE CCOc1ccc(O)c(CN2CCC[C@H]2c2cc(C)on2)c1 371395024 CGBCRKZUKGERCG-INIZCTEOSA-N 302.374 3.424 10 10 DGCE O=C(NCc1cc(Br)ccc1O)C(C1CC1)C1CC1 804738666 ZANDQSBBIFWCBK-UHFFFAOYSA-N 324.218 3.207 10 10 DGCE CO[C@H](C)c1nsc(NCc2c(O)ccc3c2CCCC3)n1 800854681 PTTQLJMEEZVNTR-SNVBAGLBSA-N 319.430 3.442 10 10 DGCE COc1ccc(N2CC[C@H](CNC(=O)[C@H](C)CC(C)C)C2)cc1 819589004 PTHQSSBJDWHDAS-HZPDHXFCSA-N 318.461 3.320 10 10 DGCE Oc1ccc(C(F)(F)F)cc1[C@H](C1CCC1)N1CCNCC1 575275691 LXWNBRAJBGGTNE-HNNXBMFYSA-N 314.351 3.157 10 10 DGCE Cc1cc(O)c(CNCC2(O)CCC(F)(F)CC2)cc1Cl 827648615 CURWYCCXZWILQD-UHFFFAOYSA-N 319.779 3.384 10 10 DGCE C[C@H](NC(=O)Nc1ccc(N)cc1)[C@H]1Oc2ccccc2[C@H]1C 841298820 DDBUAQFIZOHRSQ-PEBVRCNWSA-N 311.385 3.344 10 10 DGCE COC(=O)/C=C/c1ccc(N2CCC23CCCC3)c([N+](=O)[O-])c1 845588919 YJLHBSPSIGJLHK-FNORWQNLSA-N 316.357 3.304 10 10 DGCE CN1C(=O)/C(=C\c2cn(C3CCC3)nn2)c2cc(Cl)ccc21 849247585 CXXMLQQWULKNJN-ZSOIEALJSA-N 314.776 3.174 10 10 DGCE CCOc1cccc(CN[C@@H]2COc3cccc(C)c3C2)c1O 858215420 DXZPWCUQNYSJRU-HNNXBMFYSA-N 313.397 3.193 10 10 DGCE CC[C@H](NCCOC1CCOCC1)c1cc(Cl)ccc1O 927079126 KPDUPTNDWFYDPQ-HNNXBMFYSA-N 313.825 3.282 10 10 DGCE c1ccc(COc2ccc(N3CC[C@@]4(CCNC4)C3)cc2)cc1 1899879993 SLCHVDIVANBLCZ-HXUWFJFHSA-N 308.425 3.455 10 10 DGCE CO[C@H]1C[C@@H](CNCc2ccc(N(C)C)cc2C(F)(F)F)C1 858331044 NYFZKUCCOUDIMF-VDISTLRHSA-N 316.367 3.286 10 10 DGCE COC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1Cc1ccccc1O 779034582 YOGUSDQNJYHDSE-SJORKVTESA-N 317.429 3.336 10 10 DGCE Cc1cc(Cl)cc(CN2CCC[C@H](n3ccnc3)C2)c1O 775674445 BNIUGWOYWNFKPY-HNNXBMFYSA-N 305.809 3.388 10 10 DGCE COc1cc(N(C)Cc2cccc(F)c2N)cc(OC)c1OC 877179433 AKGZMWFAAOCXDU-UHFFFAOYSA-N 320.364 3.070 10 10 DGCE CC[C@H](Oc1cccc(C)c1)C(=O)N1Cc2cccc(O)c2C1 871202650 DEVHFNMEYGWIGE-SFHVURJKSA-N 311.381 3.400 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)/C=C\c1cccnc1 1124551054 LUUDDVGMUGGEHG-FLIBITNWSA-N 321.424 3.354 10 10 DGCE Cc1cccc(-n2c(C)cc(C(=O)N3CCC(=O)[C@@H](C)C3)c2C)c1 779538766 CISLXPVVZRBLJL-AWEZNQCLSA-N 324.424 3.454 10 10 DGCE Cc1nc(NC2CC2)sc1C(=O)N[C@@H](C)c1ccccc1O 881440630 IRUVOOPZDHGNKH-VIFPVBQESA-N 317.414 3.222 10 10 DGCE CCOC[C@H](C)N[C@@H](C)c1ccc(Br)cc1O 779073001 NCQPGLCHELWRMP-UWVGGRQHSA-N 302.212 3.230 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCCc3occc32)cc1 1135224005 SCQDCFSCQDGFFV-ZDUSSCGKSA-N 312.329 3.249 10 10 DGCE C[C@@H](CN(C)Cc1ccccc1)NCc1ccc(N(C)C)cc1 393657909 ADVMTACOEKWGOR-KRWDZBQOSA-N 311.473 3.363 10 10 DGCE OCc1ccc(N2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc1 687208018 AGEQGFLOWVUWNL-BGYRXZFFSA-N 308.425 3.032 10 10 DGCE CO[C@@]1(CNCc2cc(Cl)cc(Cl)c2O)CCSC1 719303651 SQGLDQZWPDJZAL-CYBMUJFWSA-N 322.257 3.311 10 10 DGCE CC(C)N(CCNC(=O)OC(C)(C)C)Cc1ccc(N)cc1 1959547195 ATNHQFIGMOXMDX-UHFFFAOYSA-N 307.438 3.004 10 10 DGCE CC[C@H](NC(=O)OC(C)(C)C)[C@H](O)c1ccc(N(C)C)cc1 1959567715 KMXCAGWISKROMG-LSDHHAIUSA-N 308.422 3.089 10 10 DGCE CCC(C)(CC)C(=O)N[C@H](C)CNCc1ccc(OC)c(C)c1 1268673933 HYAYWABQYHJLJO-OAHLLOKOSA-N 320.477 3.424 10 10 DGCE N[C@@H](CSc1nccs1)c1cnn(Cc2ccccc2)c1 1903544965 UYVXYMKKNJDBAZ-AWEZNQCLSA-N 316.455 3.180 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)CC[C@@H]1CCOC1 1353912443 ZPLHNJMVQFLFEJ-QGZVFWFLSA-N 316.445 3.062 10 10 DGCE CCN[C@H](c1ccccc1O)[C@@]1(C)CCN1C(=O)OC(C)(C)C 1912946829 XRLSUYQJCGQXLE-CRAIPNDOSA-N 320.433 3.442 10 10 DGCE O=C(O)C=Cc1ccc(N2C[C@H]3C[C@H]3C2)c(Br)c1 1912081616 FBOFCRJGZVDYHE-PHIMTYICSA-N 308.175 3.003 10 10 DGCE [N-]=[N+]=NCCCCS(=O)(=O)c1ccccc1Br 1912145591 JCQZKKQZIUXHBL-UHFFFAOYSA-N 318.196 3.313 10 10 DGCE Cc1cc(N(C)Cc2nccn2Cc2ccccc2)ccc1CO 1915029358 VCHLQIFZFQCISV-UHFFFAOYSA-N 321.424 3.369 10 10 DGCE CCN(C)c1ccc(CN[C@H](CC(=O)OC)C(C)(C)C)cc1 1460833150 CWMPEJTXERSYDM-MRXNPFEDSA-N 306.450 3.210 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1cccc(O)c1F 1472085319 QBJUOFNHIIPQSQ-UHFFFAOYSA-N 311.312 3.320 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)/C(C)=C/c2ccncc2)c1 1622780008 ZWIJMANADWQYIQ-XSNHNAGMSA-N 312.369 3.077 10 10 DGCE CCOc1ccc(N(CC)C(=O)Cc2ccc(O)c(O)c2)cc1 1625254620 SPPRRLUINNNAOT-UHFFFAOYSA-N 315.369 3.092 10 10 DGCE O=C(Cc1ccc(C2CCC2)cc1)NCc1cc(O)ccc1O 1633599096 OOTQMKCPSGDTPY-UHFFFAOYSA-N 311.381 3.224 10 10 DGCE CN(C)c1ccc([C@H](CCCO)NC(=O)OC(C)(C)C)cc1 1927315667 DMQRXHIHNSBXHH-HNNXBMFYSA-N 308.422 3.091 10 10 DGCE COC(=O)CN(CCCC(C)C)Cc1cc(Cl)ccc1O 1652734897 JFCNMRPORZBGOL-UHFFFAOYSA-N 313.825 3.457 10 10 DGCE Cc1cc(Cl)c(C(=O)NCc2cccc(O)c2O)cc1C 1651175590 DRYHVHSGWMNTDA-UHFFFAOYSA-N 305.761 3.298 10 10 DGCE CCCN(Cc1ccc(F)cc1F)C(=O)c1cccc(O)c1O 1594938300 JUDSPYWSAIEPDQ-UHFFFAOYSA-N 321.323 3.428 10 10 DGCE CN(C(=O)c1cc2c(s1)CCSC2)c1ccc(N)cc1 123682309 KCARLEYERIWPTL-UHFFFAOYSA-N 304.440 3.396 10 10 DGCE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CN(CCN=[N+]=[N-])CC2 1962298731 HMMOTKZZLMBTRH-STQMWFEESA-N 309.414 3.161 10 10 DGCE Cc1cccc(O)c1CNCCN(C(=O)OC(C)(C)C)C(C)C 1976875164 FMPNEBOMVRGEJZ-UHFFFAOYSA-N 322.449 3.436 10 10 DGCE CCNCc1ccc(N2C[C@H]3C=C[C@H]2C3)c(Br)c1 2029386355 VXEFHKVSWQZNCH-STQMWFEESA-N 307.235 3.323 10 10 DGCE CN(c1ccc(CN)c(Br)c1F)C1[C@H]2CCC[C@H]12 2033883650 GXDCSXCCNNNEOO-UWVGGRQHSA-N 313.214 3.282 10 10 DGCE CCCN[C@@H](C)c1cnc(Sc2ncc(C)c(O)n2)s1 2159808025 UDUDMDHJGTZKKZ-VIFPVBQESA-N 310.448 3.159 10 10 DGCE CN(Cc1ccccc1O)C(=O)Nc1nccc(C(C)(C)C)n1 2062938519 NSPMKLIVZKIKCN-UHFFFAOYSA-N 314.389 3.144 10 10 DGCE CC[C@H](c1ccc(C)cc1O)n1nc(C(C)(C)C)c(CN)c1N 2079034063 GNLPSDOFPIAZNU-CQSZACIVSA-N 316.449 3.235 10 10 DGCE CO[C@@H]1CN(c2ccc([C@H](C)O)c(Cl)c2)CC(F)(F)C1 2185161917 RCNWRBIMQGINMR-ONGXEEELSA-N 305.752 3.254 10 10 DGCE OCc1ccc(N2CCC23CC(CF)C3)cc1Br 2061799012 KSKJUYAKVGZGDD-UHFFFAOYSA-N 314.198 3.270 10 10 DGCE C[C@@H]1C[C@]1(F)CN(C)c1ccc(CN)c(Br)c1F 2085434721 FUTQZLKGBXEYTB-OQPBUACISA-N 319.193 3.231 10 10 DGCE C[C@H]1C[C@@]1(F)CN(C)c1ccc(CN)c(Br)c1F 2085434720 FUTQZLKGBXEYTB-ISVAXAHUSA-N 319.193 3.231 10 10 DGCE CC(C)CNCc1cnc(SC[C@H]2CCCOC2)s1 2099108885 IEXJIXBNNRTQNM-LBPRGKRZSA-N 300.493 3.407 10 10 DGCE CC[C@H]1CC[C@H](CN(C)c2cc(Cl)c(CN)cc2F)O1 2201398694 YUWMYSJHYREIOT-NWDGAFQWSA-N 300.805 3.332 10 10 DGCE CC(C)(C)OC(=O)N1CCC=C[C@]1(C)[C@@H](N)c1ccccc1O 2212448301 MDHFVURXBLACKQ-MAUKXSAKSA-N 318.417 3.348 10 10 DGCE CC[C@H](O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1 2244233642 ZIVCYAMLMOKVPU-INIZCTEOSA-N 320.433 3.187 10 10 DGCE COc1ccc(OC)c(C2=CC(=Cc3ccccn3)C(=O)O2)c1 2297506394 USUNDICTRCEFJD-UHFFFAOYSA-N 309.321 3.080 10 10 DGCE COc1ccc(-c2noc(C=Cc3ccc(O)c(O)c3)n2)cc1 2308907997 UKGOAGHHZJPSMD-UHFFFAOYSA-N 310.309 3.327 10 10 DGCE COc1cc(C(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])sc1Cl 2340285623 KBMQWKFECPSCGT-BQBZGAKWSA-N 300.771 3.371 10 10 DGCE COc1cc(CN2CCC[C@H](C(F)(F)F)C2)c(O)cc1C 179433427 DAAXBQDTOMJCHV-LBPRGKRZSA-N 303.324 3.484 10 10 DGCE C[C@H]1CN(c2ccc([C@@H](C)N)cc2Br)CCCO1 61919140 FAOBJZAUXAEDLH-WDEREUQCSA-N 313.239 3.084 10 10 DGCE CCN[C@H]1C(=O)Nc2cc(N(CC)CC(C)C)c(Cl)cc21 118705261 CPOORTCQFAZSIS-OAHLLOKOSA-N 309.841 3.425 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@H]3OCCC[C@H]23)cc1 188734329 LGOXCASXBUHXBG-GUDVDZBRSA-N 324.424 3.391 10 10 DGCE CCO[C@@H]1C[C@@H](N[C@@H](C)c2cc(C)ccc2O)C12CCOCC2 186312417 UHNUVZWJZQHHBH-BMGDILEWSA-N 319.445 3.325 10 10 DGCE CN[C@@H](c1ccc(N(C)C)cc1)c1nc2c(s1)CCCC2 41188321 VRKTZCNSLIIOLC-INIZCTEOSA-N 301.459 3.397 10 10 DGCE Cc1cc(C(=O)Nc2ccn(C)n2)c(C)n1-c1ccccc1F 42659209 DGYYMKAAOZNULE-UHFFFAOYSA-N 312.348 3.219 10 10 DGCE Cc1cc(NS(=O)(=O)C[C@H](C)c2ccccc2)ccc1O 148633225 IBWXHGHDXLRWPT-ZDUSSCGKSA-N 305.399 3.246 10 10 DGCE CC(=O)N(C(=O)Cc1ccc(Cl)cc1)c1ccc(N)cc1 243892473 RQNDZKSBXXREBS-UHFFFAOYSA-N 302.761 3.044 10 10 DGCE CCOC(CCNCc1cc(Cl)cc(C)c1O)OCC 276166658 IOIJPWSIIAHVMD-UHFFFAOYSA-N 301.814 3.233 10 10 DGCE CCC[C@@H](O)[C@H](N)c1ccc(OCc2ccccc2)cc1O 397023380 GBVPKWBZBPJIEE-SJLPKXTDSA-N 301.386 3.132 10 10 DGCE Cn1ncnc1COc1ccc(N2CCCCC2)c(Cl)c1 817382129 QGHFOGISFYVFSZ-UHFFFAOYSA-N 306.797 3.038 10 10 DGCE Cc1cc(N(C)C)ccc1CN[C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 817893605 GHQGAXHROMKICN-HSALFYBXSA-N 315.505 3.461 10 10 DGCE COc1ccccc1[C@H](O)CNCc1cc(Cl)c(C)cc1O 825130727 DSMMVJNWTZVRMF-MRXNPFEDSA-N 321.804 3.186 10 10 DGCE CN(Cc1ccccc1O)C(=O)c1cn(C)nc1C1CCCC1 906991284 LJLWGGMJOKMTLW-UHFFFAOYSA-N 313.401 3.056 10 10 DGCE Cc1nc([C@@H]2CCN(Cc3c(O)ccc4ccccc34)C2)no1 905684889 GHBRASPUYNLVNY-CQSZACIVSA-N 309.369 3.226 10 10 DGCE Cc1ccc([C@H](C)NC[C@H]2CC[C@@H](C(F)(F)F)O2)c(O)c1 903177890 CBFZSBLVVRDHBP-WDMOLILDSA-N 303.324 3.461 10 10 DGCE CN(C)c1ccc(/C=C\CNC[C@@H](CO)Cc2ccccc2)cc1 835035162 HSHMJSUDVBHHFT-NSDNCLLMSA-N 324.468 3.207 10 10 DGCE CC(C)(C)c1ccc2c(c1)CCN2C(=O)/C=C/c1cnccn1 749805052 MJXDCFGTJMAWNA-FNORWQNLSA-N 307.397 3.377 10 10 DGCE COc1ccc(N(C)Cc2nc(C3CCCC3)no2)cc1OC 751964276 AVZDCGHWOBSIEH-UHFFFAOYSA-N 317.389 3.381 10 10 DGCE C[C@@H](NC[C@]1(C(F)(F)F)CCCN1)c1cc(F)cc(F)c1O 925856031 PUKKWDVVNCSFOR-OQPBUACISA-N 324.293 3.006 10 10 DGCE CC[C@@H](N[C@@H]1CNC[C@H]1C)c1ccc(Cl)c(Cl)c1O 925784781 NTUUEFJKIZZOGD-GGZOMVNGSA-N 303.233 3.348 10 10 DGCE Cc1cncc(CCN[C@@H](C)c2cc3c(cc2O)CCCC3)n1 850550182 NCRJIDGBAFUTIL-AWEZNQCLSA-N 311.429 3.263 10 10 DGCE C[C@@H]1CC[C@@H](C)N(Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 1116444986 KPTWBHNDRFFBDG-HZPDHXFCSA-N 319.468 3.198 10 10 DGCE Oc1c(F)cc(Br)cc1CN1CC[C@H]1C(F)F 895431667 OYXFAJKUFFBCKQ-VIFPVBQESA-N 310.113 3.133 10 10 DGCE Cc1cc(Br)c(O)c(CNc2nc(C3CC3)no2)c1 781559999 NGRKQNWDFDDDMS-UHFFFAOYSA-N 324.178 3.336 10 10 DGCE CN(c1ccc(CNC(=O)C2CSC2)cc1)C1CCCCC1 1136446889 YLHFDNYWHSMZIP-UHFFFAOYSA-N 318.486 3.435 10 10 DGCE N[C@H]1CC[C@H](N(Cc2cc(F)ccc2O)c2ccccn2)CC1 895110254 FZGBPDICEDBDLU-WKILWMFISA-N 315.392 3.203 10 10 DGCE Cc1cc(NS(=O)(=O)/C=C/c2ccccc2F)ccc1O 799923086 ARPXVVZWIDFOIY-CMDGGOBGSA-N 307.346 3.252 10 10 DGCE CC(C)N(Cc1ccc(N)cc1)c1ncncc1Br 90781914 YNLZJNTXXCNLNV-UHFFFAOYSA-N 321.222 3.236 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(Nc2ccc(N)cc2)C1 1959362769 HFZQMEXMFBGQDH-SJKOYZFVSA-N 303.406 3.080 10 10 DGCE CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(N)cc1 1959564511 GSQVPDHCSWYUKN-HNNXBMFYSA-N 305.422 3.105 10 10 DGCE O=C(CSc1ncc(Cl)s1)NCc1ccc(F)cc1 1307377386 OUXRFJIJFDTRHJ-UHFFFAOYSA-N 316.810 3.344 10 10 DGCE CNCc1ccc(N(C)Cc2cc(C)on2)c(Br)c1 2115106240 XXRDCQUOAXSEAO-UHFFFAOYSA-N 324.222 3.101 10 10 DGCE CN(c1ccc(CO)c(Br)c1)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]12 2116357431 UBDJIFPXGAQNHN-XGJKELJWSA-N 322.246 3.422 10 10 DGCE COc1c(F)ccc(F)c1C(=O)N[C@H](C)c1ccccc1O 1171723661 WKNNKHWFKYCBDT-SECBINFHSA-N 307.296 3.170 10 10 DGCE CCCONC(=O)NCc1cc(C)n(-c2ccccc2)c1C 1252323896 HMZVPHFNJBUCOU-UHFFFAOYSA-N 301.390 3.235 10 10 DGCE C[C@]1(C(F)F)CN(Cc2c(O)ccc(Cl)c2F)CCO1 1350736620 YTAWDILLEQHNAD-CYBMUJFWSA-N 309.715 3.041 10 10 DGCE Cc1ccccc1[C@H]1C[C@H](NC(=O)Cc2ccc(O)c(O)c2)C1 1297188894 OHDJPDPLNSVIBH-SHTZXODSSA-N 311.381 3.011 10 10 DGCE C/C(=C\C(=O)N(Cc1ccco1)c1ccccn1)c1cnccn1 1527292301 GLLBFEBWOYJRTM-SDNWHVSQSA-N 320.352 3.101 10 10 DGCE C[C@H]1CCO[C@H]1CCNCc1cc(Br)ccc1O 1918153292 QUDFFIKXMWYIEJ-HZMBPMFUSA-N 314.223 3.059 10 10 DGCE O=C(CCc1ccccc1F)NCc1ccc2cccnc2c1O 1469252574 MXCCDGRSUOGELK-UHFFFAOYSA-N 324.355 3.329 10 10 DGCE CC[C@@H](C)CC(=O)N(C)[C@@H](C)CNCc1ccc(OC)c(C)c1 1482275736 MKMUSMLKGHVTHV-ZBFHGGJFSA-N 320.477 3.376 10 10 DGCE CCc1cccc(CC(=O)NCc2cc(Cl)ccc2O)c1 1557386830 LVKBCZATZNGKFY-UHFFFAOYSA-N 303.789 3.467 10 10 DGCE c1cc(CCCNCc2ccc(N3CCOCC3)cc2)cs1 1621108300 LOTCGPFLCDAJAP-UHFFFAOYSA-N 316.470 3.307 10 10 DGCE O=C(/C=C\c1cccs1)NCc1ccc2cccnc2c1O 1557122266 FZYSRXARWFPTKA-FPLPWBNLSA-N 310.378 3.332 10 10 DGCE COC(=O)COc1ccc(N(C)C[C@@H]2CC[C@H]3C[C@H]3C2)cc1 1658211505 QCOWLRKIACNXSP-QLFBSQMISA-N 303.402 3.111 10 10 DGCE C[C@@H](CC1CC1)N[C@H](C)c1ccc(N2CCC(O)CC2)cc1 164279131 PDGASQYPRLIYFD-LSDHHAIUSA-N 302.462 3.487 10 10 DGCE CCCC1=NN(CCC)C(=O)/C1=C/c1ccc(O)c([N+](=O)[O-])c1 1865677760 BFFDRRBKMGWZHE-FMIVXFBMSA-N 317.345 3.092 10 10 DGCE CCC[C@H]1CCN1c1cc(Br)c(CN)cc1F 1941305832 SOWBTMPNXQOBLW-JTQLQIEISA-N 301.203 3.426 10 10 DGCE CC(C)(C)OC(=O)N1CCC2(CCN(CCN=[N+]=[N-])C2)CC1 1962287597 KVRNBZGDRWMKSZ-UHFFFAOYSA-N 309.414 3.020 10 10 DGCE C[C@H](c1ccccc1O)N(C)Cc1cnn(C)c1Br 1877525429 SDBQJFXZRDYOKM-SNVBAGLBSA-N 324.222 3.081 10 10 DGCE Oc1cccc2c1[C@H](N[C@@H]1CCCC3(CC1)OCCO3)CC2 1967524753 QIAMRNKSZZYAKY-HUUCEWRRSA-N 303.402 3.045 10 10 DGCE CN(C)c1ccc(CNCc2nn(C)c(Cl)c2Cl)cc1 2150747233 CWVTYHIDYUIDLY-UHFFFAOYSA-N 313.232 3.083 10 10 DGCE CCC[C@](N)(CNC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1977944218 CBMVNSLRWNXNJX-SFHVURJKSA-N 321.465 3.231 10 10 DGCE CN(C)c1ccc([C@@H](N)C2(CNC(=O)OC(C)(C)C)CC2)cc1 1977944290 DENSCASEZQUFCU-OAHLLOKOSA-N 319.449 3.057 10 10 DGCE C[C@H](NC[C@H]1C[C@@H]1NC(=O)OC(C)(C)C)c1cc(F)ccc1O 1978009156 OTYUOXGFWZZVHQ-WDMOLILDSA-N 324.396 3.095 10 10 DGCE Nc1cc(F)ccc1NC(=O)CCCSc1nccs1 40676539 YLXHKTNWTWYRCI-UHFFFAOYSA-N 311.407 3.375 10 10 DGCE C[C@H]1[C@@H](CN(C)c2ccc(CN)c(Br)c2)C1(F)F 2036080423 YIFMGDHGOHLJJQ-GZMMTYOYSA-N 319.193 3.245 10 10 DGCE NCc1ccc(N2CCC=C(Cl)C2)c(F)c1Br 404396417 CDOBZJMNPFSAHQ-UHFFFAOYSA-N 319.605 3.380 10 10 DGCE C[C@H](O)c1cnc(Sc2nnc(C3CC3)n2C2CC2)s1 2159809996 VJYLYALORBXEIV-ZETCQYMHSA-N 308.432 3.151 10 10 DGCE COC(C)(C)[C@@H](C)NCc1ccc(Br)cc1O 720164874 HMJOPWDTTLIDTO-SECBINFHSA-N 302.212 3.058 10 10 DGCE Fc1cc(CNC2CC2)ccc1N1CC(SC(F)F)C1 2196711720 PHLCFNJMWAJFHK-UHFFFAOYSA-N 302.365 3.222 10 10 DGCE C[C@@H](O)c1ccc(N(C)C[C@]2(Br)CC2(F)F)cc1 2082519548 SMWFYQPAFGZHDL-BXKDBHETSA-N 320.177 3.349 10 10 DGCE CN[C@H](c1ccccc1O)c1cc(OC)ccc1Br 2090039366 GKQJSDVRTXRVGY-OAHLLOKOSA-N 322.202 3.472 10 10 DGCE Cc1nc(Oc2ccc(N)cc2)c([N+](=O)[O-])cc1Br 2096781277 MZCYBQDUWDKCEO-UHFFFAOYSA-N 324.134 3.435 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@@H]1NC(=O)c1cc(Cl)cnc1Cl 2228448590 BBBAJPBMEWQOOI-IUCAKERBSA-N 300.149 3.350 10 10 DGCE CC[C@@H](C)NCc1cnc(SCC(C)(C)C(=O)OC)s1 2240294576 BECFSHQAWOODAT-SNVBAGLBSA-N 316.492 3.323 10 10 DGCE CN(c1ccc(CO)c(Br)c1)[C@H]1CC2C[C@@H]3C1[C@@H]3C2 2264477565 ADPRQLNVSKVCRC-YLMRQHARSA-N 322.246 3.422 10 10 DGCE CN1C(=O)C(=Cc2ccc(OC(F)F)cc2)SC1=S 2297365515 PARGYFRAUPQJOJ-UHFFFAOYSA-N 301.339 3.119 10 10 DGCE O=C(C=Cc1cccc2cccnc12)N1CCOc2ccncc21 2297806568 RCEQCROKIQOKPP-UHFFFAOYSA-N 317.348 3.069 10 10 DGCE COC(=O)Cc1nc2ccccn2c1N=Nc1ccccc1O 2320767415 FLMRCQMGSHIVNT-UHFFFAOYSA-N 310.313 3.171 10 10 DGCE CCc1ccc(C=C2SC(=S)N([C@H](CC)CO)C2=O)cc1 2323802726 GELCHMQLDZGLLK-CYBMUJFWSA-N 321.467 3.221 10 10 DGCE CCOC(=O)N1CCN(N=Nc2ccc(C)c(Cl)c2)CC1 2330210152 SPGPRCXSXYYTAS-UHFFFAOYSA-N 310.785 3.421 10 10 DGCE Cc1ccc(CNCCCOC(C)C)c(O)c1Br 2327624575 SJWZCLCMMOZBEB-UHFFFAOYSA-N 316.239 3.368 10 10 DGCE Cc1ccc(CN(C)C(=O)[C@@H]2[C@H]3CC[C@H]32)c(O)c1Br 2352657139 RJQSQUZJDMYLSM-GDNZZTSVSA-N 324.218 3.078 10 10 DGCE CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C\c1ccccc1 100147549 YCGQIPPWYSKZGC-YBEGLDIGSA-N 306.321 3.191 10 10 DGCE Cn1cc(/C=C/C(=O)N2CCOc3ncccc32)c2ccccc21 177251202 FENLYOPLYLBNGE-CMDGGOBGSA-N 319.364 3.012 10 10 DGCE Cc1cc(Cl)cc(CN2CCC(N3CCCC3)CC2)c1O 179670134 PNPCLWKBGKMHLF-UHFFFAOYSA-N 308.853 3.414 10 10 DGCE Cc1cccc2c(=O)n(CCCOc3ccc(N)cc3)ccc12 75253723 KLIKEJJKKDDEMX-UHFFFAOYSA-N 308.381 3.361 10 10 DGCE COc1ccc(O)c(CN2CCC[C@@H]2c2noc(C(C)C)n2)c1 179967791 MSLNXAPINKDXSS-CQSZACIVSA-N 317.389 3.244 10 10 DGCE Cc1c(Cl)cccc1NC(=O)Nc1cc(O)c(O)c(O)c1 217278629 AOHJSWZPEBHQIA-UHFFFAOYSA-N 308.721 3.409 10 10 DGCE CN(c1c(F)cc(CNC(C)(C)C)cc1F)C(C)(C)CO 126857265 BOMSNJWDQIYRKF-UHFFFAOYSA-N 300.393 3.060 10 10 DGCE COc1cccnc1N(C)C(=O)/C=C/c1cn(C)c2ccccc12 121215160 PVNXAICEFOXUQS-ZHACJKMWSA-N 321.380 3.258 10 10 DGCE Cc1noc(CCN[C@@H](C)c2cc(Cl)c(Cl)cc2O)n1 192978254 DBEJOJSYCBBVEH-ZETCQYMHSA-N 316.188 3.284 10 10 DGCE Nc1ccc(N(C(=O)NCc2cnccn2)c2ccccc2)cc1 243403894 MOQXFDCQUWHQCG-UHFFFAOYSA-N 319.368 3.107 10 10 DGCE C[C@H]1[C@H](C)CN1c1ccc(/C=C\C(=O)O)cc1Br 706830226 ITIWKJDGVFUCFR-ZUJXDTADSA-N 310.191 3.392 10 10 DGCE O=C(NCc1cc(Br)ccc1O)c1cccs1 804738711 ASKORBBJIDQMLX-UHFFFAOYSA-N 312.188 3.146 10 10 DGCE Nc1ccc(CN(C(=O)c2cc(Cl)ns2)C2CC2)cc1 2167199537 FWZSTWJBGFPEGD-UHFFFAOYSA-N 307.806 3.184 10 10 DGCE Cc1cc(Cl)cc(CN2CCN(C3CC3)C[C@H](C)C2)c1O 824445997 QBVXGYOASRWANM-GFCCVEGCSA-N 308.853 3.270 10 10 DGCE C[C@@H]1O[C@H](C)CN(Cc2ccc(Br)cc2O)[C@H]1C 825634627 PAXHMMUAVVHZFN-VWYCJHECSA-N 314.223 3.152 10 10 DGCE CN(C)c1ccc(/C=C/CNCCCNc2ccccn2)cc1 835043743 BUGOQBNGBAPLQR-FNORWQNLSA-N 310.445 3.253 10 10 DGCE COc1ccc(N2CCC(Nc3ccc(OC)cn3)CC2)cc1 733894758 UBNHYARYJZVEEJ-UHFFFAOYSA-N 313.401 3.180 10 10 DGCE c1cc(N2CCCCC2)ccc1CN1CC2(CCCOC2)C1 839138571 NMEGAVFTRRVSHF-UHFFFAOYSA-N 300.446 3.289 10 10 DGCE CCOc1ccc(CN[C@H](c2ccccc2F)[C@@H](C)O)c(O)c1 846016915 KLAPLTPHOSVILZ-XIKOKIGWSA-N 319.376 3.142 10 10 DGCE CC1(C)C[C@@H]1NC(=O)N(Cc1ccco1)Cc1ccccc1O 840409614 MPNYMVAVOXFMTO-INIZCTEOSA-N 314.385 3.496 10 10 DGCE CC[C@H](NCc1cc(F)cc(C(C)=O)c1O)[C@@H]1CCCCO1 847074710 BTWLJOFSPHMYDR-HOTGVXAUSA-N 309.381 3.171 10 10 DGCE Cc1cc(O)c(CN2C[C@@]3(CCCO3)[C@@H]2C2CC2)c(Cl)c1 840948962 KEESNJOCOFMNKF-IRXDYDNUSA-N 307.821 3.497 10 10 DGCE CC[C@@H](NC[C@@H]1CN(C2CC2)C(=O)O1)c1cc(Cl)ccc1O 848570172 KEMYMZLLECJMNL-TZMCWYRMSA-N 324.808 3.070 10 10 DGCE CC(C)Oc1ccnc(CN(C)c2ccc3c(c2)OCO3)c1 844309399 LKPQNBLTEIILLE-UHFFFAOYSA-N 300.358 3.234 10 10 DGCE O=C(NCc1c(O)cccc1F)[C@@H]1CC[C@@H](C(F)(F)F)C1 928708726 RQXOXUYFZCLQBN-RKDXNWHRSA-N 305.271 3.126 10 10 DGCE COC(=O)C1=CC[C@@H](N[C@H](C)c2cc3c(cc2O)CCCC3)C1 858473537 PBVKXDDZFGVHQK-MLGOLLRUSA-N 315.413 3.183 10 10 DGCE C[C@@H](NCC1(CCO)CCC1)c1cc2c(cc1O)CCCC2 756763843 AAABXBUWKYYQIJ-CQSZACIVSA-N 303.446 3.474 10 10 DGCE CCc1noc([C@@H]2CC[C@H](N[C@@H](C)c3c(O)cccc3F)C2)n1 927054524 VRTCQNVMNZDFPB-TUAOUCFPSA-N 319.380 3.464 10 10 DGCE COc1ccc2c(c1)CCCN2C(=O)/C=C\c1ccc(C)nc1 754061649 MGWGQKFGSAZBIB-YFHOEESVSA-N 308.381 3.391 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N[C@@H]2C[C@@H]3CCCC[C@@H]32)cc1 921380699 DXUYMMODDAZHSK-FPMFFAJLSA-N 300.362 3.158 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)c3ccsc3C)C2)cc1 855226331 RDQRRRPXGFOCDG-ZDUSSCGKSA-N 316.426 3.074 10 10 DGCE C[C@H](Nc1cccc(CCCO)c1)c1cc([N+](=O)[O-])ccc1O 757636840 GRPJTXFASHAZFC-LBPRGKRZSA-N 316.357 3.398 10 10 DGCE CN1CCCc2cc(CNC(=O)c3csc(Cl)n3)ccc21 769692309 HYRFPVUBOFNNET-UHFFFAOYSA-N 321.833 3.109 10 10 DGCE COc1ccc(N2CCCN(C(=O)C3(C)CC=CC3)CC2)cc1 930308889 BCCSYPPLBQPYSR-UHFFFAOYSA-N 314.429 3.090 10 10 DGCE CN(C)CCCC1CCN(Cc2cc3c(cc2O)CCC3)CC1 766382894 SBAOWKNSIBBJOE-UHFFFAOYSA-N 316.489 3.435 10 10 DGCE CN(CCCN=[N+]=[N-])[C@@H]1CC[C@H]1NC(=O)OCc1ccccc1 1954206420 GGNSHBYKSRENPW-HUUCEWRRSA-N 317.393 3.076 10 10 DGCE CCOC(=O)c1cc(CN[C@@H](CC)c2ccc(C)cc2O)on1 866515522 JKHBJNCXVCLKJR-AWEZNQCLSA-N 318.373 3.106 10 10 DGCE CCOc1ccc(CN2CCO[C@@H](c3ccsc3)C2)c(O)c1 769516180 ZYWJUCOOQGNRJL-QGZVFWFLSA-N 319.426 3.426 10 10 DGCE CC(C)c1ccc(OCC(=O)N2Cc3cccc(O)c3C2)cc1 871199898 VVYXWBCDUITONX-UHFFFAOYSA-N 311.381 3.437 10 10 DGCE CS[C@@H]1CCCC[C@H]1NC(=O)N1Cc2cccc(O)c2C1 875692760 OGXOTZVYCMJXJR-UKRRQHHQSA-N 306.431 3.092 10 10 DGCE COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)C(F)F)ccc21 894049389 IMJIJRQLCCMTLC-NSHDSACASA-N 324.371 3.288 10 10 DGCE Cc1nc(Cl)ccc1NC(=O)c1ccc(N=NC(N)=O)cc1 1139652724 XEDHIJREELXPFZ-UHFFFAOYSA-N 317.736 3.458 10 10 DGCE Nc1ccc(CC(=O)Nc2cccc(Br)c2F)cc1 689257697 XFMVKMZVTYFYMK-UHFFFAOYSA-N 323.165 3.352 10 10 DGCE Cc1cccc(Br)c1NC(=O)c1ccc(O)c(O)c1 690349037 YEXZWIVTNXKJLC-UHFFFAOYSA-N 322.158 3.421 10 10 DGCE OCc1ccc(N2Cc3ccc(Br)cc3C2)cc1 707942547 VHDYQONHQQRBDP-UHFFFAOYSA-N 304.187 3.462 10 10 DGCE Oc1ccc2ccncc2c1CN1CC[C@@H](c2ccccn2)C1 799154882 JUMMJGNFJWQVAP-OAHLLOKOSA-N 305.381 3.325 10 10 DGCE CC1(C)OCC[C@@H]1CNCc1cccc(Br)c1O 693067610 XFQVOUSOCPKXLG-LLVKDONJSA-N 314.223 3.059 10 10 DGCE CCN(/C=C1/SC(=S)N(c2cccc(OC)c2)C1=O)CC 1084217023 NLHXMDNSWFDUNW-JLHYYAGUSA-N 322.455 3.243 10 10 DGCE O=C(Cc1nc(C2CC2)cs1)NCc1cccc(Cl)c1O 1159041468 OEJWPSFFOCXERQ-UHFFFAOYSA-N 322.817 3.238 10 10 DGCE CCN1CC[C@@H](N(C)Cc2ccc(N3CCCC3)cc2)[C@H](C)C1 1319717062 KGKAYNOIMZDCOT-YLJYHZDGSA-N 315.505 3.449 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CNc2ccc(N)cc2)C1 1959373551 JXJCWASAZOIJSS-DOMZBBRYSA-N 305.422 3.374 10 10 DGCE O=C1Cc2ccc(NCc3ccc(N4CCCC4)cc3)cc2N1 1331958267 AGKSJOLYAAWJSY-UHFFFAOYSA-N 307.397 3.394 10 10 DGCE COc1ccc(CNC(=O)N[C@@H](C)c2ccccc2O)c(C)c1 1261876445 IECZNXPDHSQYRQ-ZDUSSCGKSA-N 314.385 3.270 10 10 DGCE Clc1ccc(Cl)c(NN=NCCCN2CCOCC2)c1 1860491973 YRCQNJKJAOUQET-UHFFFAOYSA-N 317.220 3.495 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)C[C@H]1Cc2ccccc2O1 1530833965 ZFMRRQHHXGFHEV-GOSISDBHSA-N 324.424 3.071 10 10 DGCE CCN(CC(F)(F)F)c1ccc(CN)c(Br)c1 228150745 RTRUDWBXDJHMFH-UHFFFAOYSA-N 311.145 3.296 10 10 DGCE Nc1cc(Cl)ccc1C(=O)NCc1cc(Cl)ccc1O 1557386957 OOXHHDOCUWDLPP-UHFFFAOYSA-N 311.168 3.211 10 10 DGCE CCSC1CN(c2ccc([C@H](C)N)cc2Br)C1 1948317625 GPSOREJBODNJLU-VIFPVBQESA-N 315.280 3.411 10 10 DGCE CNCc1ccc(N(C)[C@H]2CCO[C@@H]2C)c(C(F)(F)F)c1 160094460 HWAZEVKRZSHYMF-MFKMUULPSA-N 302.340 3.038 10 10 DGCE CC(C)(C)OC(=O)N1CCC(N=NNc2cccnc2)CC1 1860493971 KGAHBJZJTLBIEC-UHFFFAOYSA-N 305.382 3.260 10 10 DGCE Nc1cccc(F)c1N[C@@H]1CCOC[C@@H]1OCc1ccccc1 1937207852 RSAJNFPOBGOMCG-SJORKVTESA-N 316.376 3.194 10 10 DGCE COc1ccc(N(C)[C@H]2CC[C@@H]2OCc2ccccc2)c(N)c1 1939610502 JLOHIOCSEZEXED-OALUTQOASA-N 312.413 3.461 10 10 DGCE Cc1cccc(O)c1CN[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C1 1967746930 IDLJDQZBEZFVTK-OKILXGFUSA-N 320.433 3.094 10 10 DGCE NC1(c2ccccc2O)[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2 2002466973 YPBJWZRYKXAKLS-ROUUACIJSA-N 322.452 3.478 10 10 DGCE CC(C)(C)OC(=O)N1CCN(c2ccc(N)cc2)C2(CC1)CC2 1978259812 ZLDMGGBZIKHTKY-UHFFFAOYSA-N 317.433 3.249 10 10 DGCE CCNCc1ccc(N2CC3(CN(Cc4ccccc4)C3)C2)cc1 706699503 DMLDKNGHCLDOGV-UHFFFAOYSA-N 321.468 3.118 10 10 DGCE CC[C@H]1COC[C@H]1N(C)Cc1c(O)cccc1Br 707171269 JLWXXLFPELUSJC-GXFFZTMASA-N 314.223 3.012 10 10 DGCE Cc1ccc([C@@H](C2CC2)n2nc(C3CC3)c(C=O)c2N)c(O)c1 2078999570 RJHHGWFRPYKRMD-QGZVFWFLSA-N 311.385 3.169 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2C[C@@H](F)C[C@@H](F)C2)c1O 2182571536 ZOGUPSARRYLBGC-TXEJJXNPSA-N 303.736 3.130 10 10 DGCE CCN(CC)CCSc1ncc(CNC(C)(C)C)s1 2099111504 RPKPCCJFULGOBV-UHFFFAOYSA-N 301.525 3.465 10 10 DGCE CNCc1ccc(N(C)C[C@]2(Br)CC2(F)F)cc1 2082513635 IRKPCSBPWWPYPZ-GFCCVEGCSA-N 319.193 3.015 10 10 DGCE OCc1ccc(N2[C@H]3CCC[C@@H]2CN(Cc2ccccc2)C3)cc1 2213896694 QKHPESCSMQZEKI-OYRHEFFESA-N 322.452 3.422 10 10 DGCE Cc1cc(CNCc2ccc(O)cc2O)ccc1Br 2273771635 JQGFQEYOBKOWQL-UHFFFAOYSA-N 322.202 3.459 10 10 DGCE Nc1ccc(OCCSc2nc3cccnc3s2)cc1 2283825529 GDYXYDMBGKYMHN-UHFFFAOYSA-N 303.412 3.445 10 10 DGCE CN(C(=O)C=Cc1cccc2cccnc12)c1ncccc1F 2302232186 RWHNSGQAWPQOQB-UHFFFAOYSA-N 307.328 3.445 10 10 DGCE Cc1cccc([C@H]2NC(=O)c3c(sc4c3CCCC4)N2)c1O 2474548 NDBBSBQHXHPYOK-HNNXBMFYSA-N 314.410 3.495 10 10 DGCE CN(Cc1cc(Br)ccc1O)C[C@H]1C[C@H](F)C1 2307369293 ZQANPQXOSNJBCT-OTCDBFHCSA-N 302.187 3.335 10 10 DGCE CCCC1=NN(CC)C(=O)C1=Cc1cccc(OC)c1OCC 2332117603 YVUPREJUHQGYAX-UHFFFAOYSA-N 316.401 3.496 10 10 DGCE COC(C)(C)[C@H](C)NCc1ccc(C)c(Br)c1O 2327613942 ZAAOBZILVMAULL-JTQLQIEISA-N 316.239 3.366 10 10 DGCE Oc1cc2c(cc1O)CN(CC[C@@H]1CC1(Cl)Cl)CC2 2341194158 OEEYMBZWVAJRSR-LLVKDONJSA-N 302.201 3.040 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)C2CCCC2)c1 172194438 HDWSXHJRQAAOOJ-NEPJUHHUSA-N 306.406 3.340 10 10 DGCE C[C@H]1SCC[C@@H]1NCc1cc(OC(F)(F)F)ccc1O 2361044296 WWOFGDNIIJKIRT-KCJUWKMLSA-N 307.337 3.274 10 10 DGCE Cc1ccc(O)c([C@@H](C)Nc2cccc(S(C)(=O)=O)c2)c1 37763467 KPKASWOMCJNFCY-GFCCVEGCSA-N 305.399 3.277 10 10 DGCE C[C@@H](Nc1ccc(C(N)=O)c(Cl)c1)c1ccc(O)cc1O 37121380 MCAXIGIQSLRPON-MRVPVSSYSA-N 306.749 3.023 10 10 DGCE C[C@H](N)c1ccc(N2CCN(CC(F)(F)F)CC2)cc1Cl 78927621 SNJQNRBCNVZHPO-JTQLQIEISA-N 321.774 3.044 10 10 DGCE CN(Cc1ccccc1O)C(=O)N[C@H]1CCOc2ccccc21 43165477 VBQOAGUVMXZFTM-HNNXBMFYSA-N 312.369 3.057 10 10 DGCE CSC1(CN[C@H](C)c2ccc(N3CCC(O)CC3)cc2)CC1 193829483 XPNDQELIZSTZIA-CQSZACIVSA-N 320.502 3.194 10 10 DGCE CN(C)c1ccc(CNCc2c(F)cc(C#N)cc2F)cc1 194413961 YERQSVAFNPASNV-UHFFFAOYSA-N 301.340 3.192 10 10 DGCE CCC[C@H]1CN(c2cc(Cl)c(OC)cc2OC)[C@H](C)CN1 86220355 HIYUSCRKQSWWSM-NEPJUHHUSA-N 312.841 3.324 10 10 DGCE O=C(Nc1ccccc1)N1CCc2cc(N3CCOCC3)ccc21 41122019 MLYYHIMEWTUWKO-UHFFFAOYSA-N 323.396 3.118 10 10 DGCE CCOc1ccc(O)c(CN2CC[C@H](Nc3ccccc3)C2)c1 92758256 MRDNBTPEINFTSZ-KRWDZBQOSA-N 312.413 3.477 10 10 DGCE COCCN(Cc1ccccc1)c1ccc(CN)c(Cl)c1 384380180 GBWIPRTZEMLBHM-UHFFFAOYSA-N 304.821 3.452 10 10 DGCE CCO[C@@H]1C[C@H](N[C@H](C)c2cc(F)ccc2O)C12CCOCC2 248653701 ZFEVIATYQLSQJC-OAUYIBNBSA-N 323.408 3.156 10 10 DGCE CN[C@@H](c1ccc2c(c1)CCCN2C)c1scnc1Cl 2164120487 COYDSGCPDFSSLN-ZDUSSCGKSA-N 307.850 3.488 10 10 DGCE COCC(C)(C)COC(=O)c1cc(C)n(-c2ccccn2)c1C 813996490 SFZLGUXDVOVIRH-UHFFFAOYSA-N 316.401 3.319 10 10 DGCE Cc1cc(O)c(CN2CC=C(c3ccnn3C)CC2)cc1Cl 825882331 IIBXZGVLGBSRDG-UHFFFAOYSA-N 317.820 3.377 10 10 DGCE CS[C@@H]1CC[C@@H]1NCc1ccc(N2CCSCC2)cc1 822452054 VGRDGRAQWOCTCY-JKSUJKDBSA-N 308.516 3.223 10 10 DGCE C[C@H](NC[C@]1(c2ccccc2)C[C@H](O)C1)c1cc(F)ccc1O 903271618 OLYACVLHZMUYFG-AXHNFQJDSA-N 315.388 3.275 10 10 DGCE C[C@@H](N[C@H]1COCC1(C)C)c1ccc(Br)cc1O 834905655 VHNIPEKUXCIIJQ-RNCFNFMXSA-N 314.223 3.230 10 10 DGCE CC(C)N1CCCN(C/C=C\c2ccc(N(C)C)cc2)CC1 835025210 GLIDBNOZZKZFHQ-ALCCZGGFSA-N 301.478 3.182 10 10 DGCE CC[C@H](N[C@H]1CCCN2CCSC[C@@H]12)c1ccc(C)cc1O 903269681 AZEHAWCAFPAVOR-ULQDDVLXSA-N 320.502 3.321 10 10 DGCE Cc1c(Cl)ccc2c1N(C(=O)/C=C\c1cnccn1)CCC2 736062187 DLFSFFCZTSQYOB-ALCCZGGFSA-N 313.788 3.431 10 10 DGCE Cc1ccccc1NNC(=S)Nc1ccc2c(c1)OCO2 735233560 DUYJFRILLOGPOU-UHFFFAOYSA-N 301.371 3.037 10 10 DGCE COc1ccc(N2CCC(N[C@@H]3CC[C@H]4C[C@@H]4C3)CC2)cc1 842780401 WNWHLPKBIXDRAK-ZMSDIMECSA-N 300.446 3.442 10 10 DGCE CCOC(CCNCc1c(O)cc(C)cc1Cl)OCC 840941840 NNWIQNLHQAOMEM-UHFFFAOYSA-N 301.814 3.233 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1C[C@@H](C)[C@H]1C 840480990 AMAGTATUISQUJT-QLFBSQMISA-N 303.450 3.042 10 10 DGCE COc1cc(CN[C@H](C)c2nccn2C)c(O)c(C(C)(C)C)c1 850410394 SWAWRFOTJNHXGU-GFCCVEGCSA-N 317.433 3.283 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)CC(C)C)C2)cc1 852222629 IJFYYUMAEHOABP-GJZGRUSLSA-N 319.449 3.008 10 10 DGCE Cc1cc(CN2CC[C@@H]3COC[C@H]3C2)ccc1N1CCCCC1 852663954 AIDAJEUNJDKQQZ-RTBURBONSA-N 314.473 3.454 10 10 DGCE CO[C@@H]1CC[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 854476031 ZRBOBEYSETWOII-GZMMTYOYSA-N 318.200 3.130 10 10 DGCE CC(C)(C)C(=O)NCc1cc(NC(=O)C(C)(C)C)ccc1O 923131048 AJEBKGVGASBZJP-UHFFFAOYSA-N 306.406 3.039 10 10 DGCE CC(F)(F)C(C)(C)CNC(=O)NCc1c(O)cccc1F 923915797 ZMKCVQDFFXAGHC-UHFFFAOYSA-N 304.312 3.012 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@]12CCC[C@@H]1C2 927698028 RBGBVBHTGNFZFY-QAPCUYQASA-N 301.434 3.084 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@H](C)c3c(C)noc3C)C2)cc1 926680206 KZWOGJUJYHFODS-IUODEOHRSA-N 315.417 3.230 10 10 DGCE O=C(O)c1cc(NCc2ccc(N3CCCC3)cc2)ccc1O 76273270 UQYOAVVXIPHIHX-UHFFFAOYSA-N 312.369 3.303 10 10 DGCE Oc1c(F)cc(F)cc1CN1CCC(c2cccnc2)CC1 894765440 HYPXOISAFYQCDP-UHFFFAOYSA-N 304.340 3.445 10 10 DGCE [N-]=[N+]=NCCNC(=O)c1cc2cccc(Br)c2o1 701301557 SBKZROSVCYIKRJ-UHFFFAOYSA-N 309.123 3.235 10 10 DGCE Cc1c(CN(C)Cc2cc(C(C)(C)C)cc(O)c2O)cnn1C 790419930 DVUDOGFAVNPQPW-UHFFFAOYSA-N 317.433 3.069 10 10 DGCE CN(Cc1ccc(Br)cc1O)C[C@]1(C)CCOC1 687523340 XKHJPWRNRFEWCZ-AWEZNQCLSA-N 314.223 3.013 10 10 DGCE Nc1ccc(CC(=O)Cc2cc(Br)cs2)cc1 166820574 NOYZDKCWRKXHCU-UHFFFAOYSA-N 310.216 3.447 10 10 DGCE Cc1nn(-c2ccccc2)c(O)c1[C@H](O)C(Cl)(Cl)Cl 1088682581 POJMBCWMDGGNLD-JTQLQIEISA-N 321.591 3.290 10 10 DGCE N=C(N)c1cnc(Sc2ccc(Br)cc2)s1 2246260151 PFZCSIABCXTPIL-UHFFFAOYSA-N 314.233 3.341 10 10 DGCE Oc1cc(Cl)ccc1CNCC1(O)CCC(F)(F)CC1 1652862835 FJZHSNFVIJWSDY-UHFFFAOYSA-N 305.752 3.076 10 10 DGCE COc1ccc(CNC[C@@H](C)CNC(=O)C2(C)CCC2)cc1C 1319225381 OVBDQLOXKZKIKA-CQSZACIVSA-N 318.461 3.036 10 10 DGCE O=C(NCc1c(O)cccc1F)c1cscc1C(F)F 1178413448 RXSSCPFVHDTWJK-UHFFFAOYSA-N 301.289 3.460 10 10 DGCE Cc1cc(CN[C@@H](C(C)C)[C@H](CO)C(C)C)ccc1N(C)C 1170442896 LCUDJMSVZWHMDE-MJGOQNOKSA-N 306.494 3.440 10 10 DGCE c1cc(N2CCCC2)ccc1CN1CC[C@H]([C@@H]2CCCO2)C1 1331961679 ZFEUFWIYBXBCFQ-HKUYNNGSSA-N 300.446 3.288 10 10 DGCE Cc1cc(CN[C@@]2(CO)CCCC(C)(C)C2)ccc1N(C)C 1196218303 ORMPCCLMDKZYJW-IBGZPJMESA-N 304.478 3.482 10 10 DGCE O=C(O)C=Cc1ccc(N2CC[C@H]3C[C@H]32)c(Br)c1 1912011697 RPNFKNYDZRQJED-GXFFZTMASA-N 308.175 3.146 10 10 DGCE CCOC(=O)[C@](C)(NCCCN=[N+]=[N-])c1ccc(Cl)s1 1912195067 XILVIRCVCCXQOR-GFCCVEGCSA-N 316.814 3.470 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)C1(CF)CCC1 1351672731 GUTBSKPAQMJKRC-UHFFFAOYSA-N 304.409 3.385 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CO[C@H](C3CC3)C2)cc1 1287542654 OTPJOLFWBCELFF-HKUYNNGSSA-N 324.424 3.391 10 10 DGCE CCc1cc(C(=O)NCc2c(O)ccc3ccccc23)cc(O)n1 1472085297 PHXPOMHRTAHGDV-UHFFFAOYSA-N 322.364 3.138 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)/C=C/C=C(Cl)Cl)c1 1545684264 QDBIBKGTRACJBF-HYYFJVDXSA-N 316.184 3.453 10 10 DGCE C/C(=C\c1ccccc1)CN(C)C(=O)Cc1ccc(O)c(O)c1 1567596678 OBUJLGBEOGAUIQ-GXDHUFHOSA-N 311.381 3.202 10 10 DGCE Cc1ncsc1NC(=O)c1cc2cc(O)c(O)cc2s1 1567648385 SXQQSLVBPDINEI-UHFFFAOYSA-N 306.368 3.330 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccc(Cl)[nH]1 1638244432 WEGIJCOZEPHRCS-LBPRGKRZSA-N 319.836 3.404 10 10 DGCE Cc1cc(C(=O)Nn2ccnn2)c(C)n1-c1cccc(C(C)C)c1 1641152175 CZHOPVJDQJWBPY-UHFFFAOYSA-N 323.400 3.193 10 10 DGCE CC(=O)Nc1ccc(C)c(C(=O)N[C@@H](C)c2ccccc2O)c1 1642831177 SCCRCKKNKYEOCF-LBPRGKRZSA-N 312.369 3.150 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)Nc1cc(C(F)F)ccc1F 1640813140 USSPBKGLWXMZLO-UHFFFAOYSA-N 311.259 3.356 10 10 DGCE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)[C@H](N)c1ccccc1O 1928477311 RZRVAULCUBSEFG-GLQYFDAESA-N 308.422 3.331 10 10 DGCE COc1cccc(C(F)(F)C(=O)NCc2cc(C)ccc2O)c1 1584983659 OXWKZFKQKYTKFY-UHFFFAOYSA-N 321.323 3.117 10 10 DGCE Cc1ccc(O)c(CNC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)c1 1683303963 SXZVMXZNQKFJKB-LBPRGKRZSA-N 324.384 3.137 10 10 DGCE COC(=O)/C=C\c1ccc(N2CCCC[C@H]2C)c([N+](=O)[O-])c1 206255142 VDYUCUIHWOHVHE-ZVTBTPLYSA-N 304.346 3.160 10 10 DGCE CO[C@H](CN[C@@H](C)c1ccc(N2CCOCC2)cc1)C(C)(C)C 154899770 DYFCUANYZCPVPX-MAUKXSAKSA-N 320.477 3.235 10 10 DGCE O=C(O)Cc1ccc(NN=NCc2ccc3c(c2)OCO3)cc1 1860489317 HHZQLOUTKKDVIO-UHFFFAOYSA-N 313.313 3.022 10 10 DGCE CCN(Cc1cc(Cl)cc(Cl)c1O)C[C@@H]1CCCN1 233511276 ZIJZDNSFKFOHSM-LBPRGKRZSA-N 303.233 3.273 10 10 DGCE Cn1cnc(NCc2cc(Cl)cc(Br)c2O)c1 1941625886 TYYHSZZPQMMHCI-UHFFFAOYSA-N 316.586 3.154 10 10 DGCE CC(C)(C)c1cccc(NC(=O)c2cc(O)c(O)c(O)c2)c1 1148587276 GNVZPFVRPQABKE-UHFFFAOYSA-N 301.342 3.353 10 10 DGCE C[C@@H](N)c1ccc(N2CC[C@@](C)(F)C2)c(Br)c1 1946949932 ZVYONUMPHXZEAX-NOZJJQNGSA-N 301.203 3.407 10 10 DGCE CC(C)C[C@@](CSc1nccs1)(NC(C)C)C(=O)O 2142866221 AAZZRWBQBHRHHM-ZDUSSCGKSA-N 302.465 3.103 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)C2CC(OCc3ccccc3)C2)C1 1976703407 GSXJBDYDEFVWKT-FHERZECASA-N 314.389 3.141 10 10 DGCE Nc1ccc(CC(=O)Nc2cc(Br)ccc2F)cc1 36750442 CXQFNEZKFDZFJT-UHFFFAOYSA-N 323.165 3.352 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(CNc2ccc(N)cc2)C1 1993226882 JRRRMDFLQGLQKR-FZKQIMNGSA-N 317.433 3.328 10 10 DGCE Cc1ccc(CNC[C@@H](C)CN(C)C(=O)OC(C)(C)C)c(O)c1 1994458002 LYHJLNUAQDHMEP-CQSZACIVSA-N 322.449 3.293 10 10 DGCE CN(C)c1ccc([C@](C)(O)c2cnn(Cc3ccccc3)c2)cc1 2024747215 RREICRSTQUBBEC-FQEVSTJZSA-N 321.424 3.253 10 10 DGCE C[C@@H]1C[C@@H](CCNCc2cc(Br)ccc2O)CO1 2041472438 SNRQUEMBMILCOI-GHMZBOCLSA-N 314.223 3.059 10 10 DGCE CNCc1ccc(N2C[C@H]3C[C@H]2[C@H]2C[C@H]32)cc1Br 2041539235 DNFPLIWITMJLNK-PBOSXPJTSA-N 307.235 3.013 10 10 DGCE O=C(O)[C@]12C[C@@H](NCc3cc(Cl)cc(Cl)c3O)C[C@H]1C2 712937103 KKSRKURNKYKCTQ-QEVYDEPDSA-N 316.184 3.042 10 10 DGCE [N-]=[N+]=NCC1(CNC(=O)c2cc3c(s2)CCSC3)CC1 2174350822 GUZXTLHSYNNNCH-UHFFFAOYSA-N 308.432 3.358 10 10 DGCE CCOC(=O)c1cc(C(C)C)nn1Cc1cccc(F)c1O 2069915089 ZCKUUCHBKDUIGM-UHFFFAOYSA-N 306.337 3.076 10 10 DGCE CN(C[C@@H]1C[C@@H]1C(F)F)c1ccc(CO)c(Br)c1 2041774768 IVDXFLYQVFIXBU-ONGXEEELSA-N 320.177 3.279 10 10 DGCE NCc1ccc(N2CC[C@@H](c3ccco3)C2)c(Br)c1 2114247846 IIHFLJCGZHLZLR-GFCCVEGCSA-N 321.218 3.495 10 10 DGCE CSc1ncc(CN[C@H]2CS[C@@H](C(F)(F)F)C2)s1 2208881494 FXNKBMFWSPUELH-HTRCEHHLSA-N 314.423 3.391 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@@H]1NC(=O)c1snc(Cl)c1Cl 2218746651 XUENQRLATYTCPE-WHFBIAKZSA-N 306.178 3.411 10 10 DGCE C[C@@H](c1ccccc1O)N(C)c1cc(Br)nn1C 2219543891 OQHYKICXJMGFMX-VIFPVBQESA-N 310.195 3.086 10 10 DGCE CCNCc1ccc(N2CCc3ncsc3C2)cc1Cl 2287055867 GEEJFXLEBMELHP-UHFFFAOYSA-N 307.850 3.469 10 10 DGCE COC(=O)C1=C(C)N(CC(C)C)C(=O)C1=Cc1ccccc1F 2293239167 GZRQFQBDTOVNDA-UHFFFAOYSA-N 317.360 3.154 10 10 DGCE CCOc1ccc(C=C2SC(=S)N(CC)C2=O)cc1OC 2294712195 DZOKNYVRFCNNHJ-UHFFFAOYSA-N 323.439 3.315 10 10 DGCE CC[C@@H](NC(=O)C=Cc1ccc(O)c(O)c1)c1cccs1 2307986592 KUPFJEJYHRFOFA-GFCCVEGCSA-N 303.383 3.440 10 10 DGCE COCCCN1C(=O)/C(=C/c2ccccc2C)SC1=S 192691350 YPWVFTJLVJRRPX-RAXLEYEMSA-N 307.440 3.233 10 10 DGCE Cc1ccc([C@H](C)Nc2ccc(N3CCOCC3)nc2)c(O)c1 192797369 PTTJWHPDPUBXSG-AWEZNQCLSA-N 313.401 3.105 10 10 DGCE CN(C)[C@@H](CNCc1ccc2c(c1)CCO2)C1CCCCC1 97503616 PCJDONCVBISJBX-SFHVURJKSA-N 302.462 3.222 10 10 DGCE CCCN(Cc1ccccc1)c1ccc2c(c1)N(C)C(=O)[C@@H]2N 383528649 AERVUEYLABGONZ-GOSISDBHSA-N 309.413 3.079 10 10 DGCE C[C@@H](CN[C@@H]1CCc2cccc(O)c21)N(C)C(=O)OC(C)(C)C 296389713 JTGDBHMPXGFQHI-GXTWGEPZSA-N 320.433 3.225 10 10 DGCE COc1cccc(CNC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c1O 246123860 IPEAMEICJYAWLN-SGMGOOAPSA-N 306.406 3.025 10 10 DGCE C[C@@H](NCc1cc2c(cc1O)OCO2)[C@@H]1CC2CCC1CC2 381889135 LDAOPQLFCKNVBM-LPXQKFACSA-N 303.402 3.425 10 10 DGCE C[C@@H](C(=O)NCc1cc(Br)ccc1O)c1ccco1 804737535 KORMJYUKPUKWJQ-SECBINFHSA-N 324.174 3.168 10 10 DGCE COCCn1c(C)c(C)c2cc(C(=O)N3C[C@H](C)[C@H]3C)ccc21 293990459 HPDMCMHZHDCINS-GXTWGEPZSA-N 314.429 3.385 10 10 DGCE COC(=O)/C=C/c1ccc(N(C)CC(C)(C)C)c([N+](=O)[O-])c1 726967851 FGXSPDJWZHREGN-VQHVLOKHSA-N 306.362 3.263 10 10 DGCE CCOc1cccc(CN2CCC(c3ccon3)CC2)c1O 827629514 LOJOFUFBCZFPHE-UHFFFAOYSA-N 302.374 3.159 10 10 DGCE COc1ccc(N2CCC(NC(=O)[C@H]3CCC3(C)C)CC2)cc1 825425563 CBYLOWBVCRFZPB-QGZVFWFLSA-N 316.445 3.216 10 10 DGCE CN1CCCc2cc(CNC(=O)NC3(C4(C)CC4)CC3)ccc21 838031479 IVYXAKNJFNLDOD-UHFFFAOYSA-N 313.445 3.201 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCC(CCCO)CC2)cc1 835048560 VGANZZOWDFILQZ-HWKANZROSA-N 302.462 3.250 10 10 DGCE CCCN(Cc1cc(C(=O)OC)oc1C)c1ccc(CN)cc1 848907103 ILYKPDAFKJSWPO-UHFFFAOYSA-N 316.401 3.250 10 10 DGCE CCN(CC)c1ccc(CN2CCCC[C@@H]2[C@@H]2CCNC2)cc1 841086251 GPMAUTXMAXRQBB-UYAOXDASSA-N 315.505 3.497 10 10 DGCE Oc1cc2c(cc1CN1CCC[C@@H]1CC1CCCC1)[C@H](O)CO2 848505341 IWISAMYOHHWDMJ-CRAIPNDOSA-N 317.429 3.363 10 10 DGCE Cc1cc(O)c(CNCc2cc(C3CC3)nn2C)c(Cl)c1 922947800 QFDITHRXDDXIDG-UHFFFAOYSA-N 305.809 3.255 10 10 DGCE CCN(C)c1ccc(CN2CC(=O)N(C)c3ccccc3C2)cc1 857887432 QLNNAEQBKCCYKU-UHFFFAOYSA-N 323.440 3.121 10 10 DGCE C[C@H](N[C@@H]1CCCOC1)c1ccc(N2CCOCC2)cc1Cl 765834813 HTKGCIFPXDUGMX-UONOGXRCSA-N 324.852 3.006 10 10 DGCE CCN1CCN(C(=O)/C=C/c2cncc(C)c2)c2ccccc21 1116325837 JNBUYBMJUNKNPH-CMDGGOBGSA-N 307.397 3.276 10 10 DGCE Cc1ccc(/C=C\C(=O)N2CCN(C)c3cc(F)ccc32)cn1 777864057 IAIFQDHRFXFYET-YVMONPNESA-N 311.360 3.025 10 10 DGCE Cc1cc(C)c(C(=O)NCc2ccc(N(C)C)cc2C)c(C)n1 1126004473 DLHJKOGCTYSRQY-UHFFFAOYSA-N 311.429 3.311 10 10 DGCE O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1cc2cc(O)c(O)cc2s1 898106435 NSIQRGAVESJRSP-ATZCPNFKSA-N 303.383 3.231 10 10 DGCE OCC[C@@H](NCc1c(O)ccc(Cl)c1F)c1ccccc1 790970616 ALQLSDUFFHJYCH-CQSZACIVSA-N 309.768 3.398 10 10 DGCE C[C@@H]1CN(Cc2cc(Br)cc(F)c2O)C[C@@H]1C 715701685 GZQPESGZXDQUEO-DTORHVGOSA-N 302.187 3.382 10 10 DGCE Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@@H]1CCCC12OCCO2 715726132 NMKFXNKEVMHVBX-UMVBOHGHSA-N 303.402 3.134 10 10 DGCE CCOC(=O)CCCCCN(C)c1ccc(OC)cc1OC 1192401206 LZZYAGJPFRVTMD-UHFFFAOYSA-N 309.406 3.264 10 10 DGCE Cc1cc(N(C)Cc2cnn(Cc3ccccc3)c2)ccc1CN 1915033657 KTJZMIZHJUYJCI-UHFFFAOYSA-N 320.440 3.335 10 10 DGCE CC(C)(C)OC(=O)NCCCNCc1cccc(Cl)c1O 224795569 LHCVTSAFHMILBV-UHFFFAOYSA-N 314.813 3.050 10 10 DGCE O=C(NCc1cccc(O)c1O)c1cccc2c1CCCCC2 1455317162 SHDJXTDQNRIEOD-UHFFFAOYSA-N 311.381 3.297 10 10 DGCE Cc1ccc(O)c(CNC(C)(C)CNC(=O)OC(C)(C)C)c1 113335123 NHSOSKRNPDSLJA-UHFFFAOYSA-N 308.422 3.094 10 10 DGCE CC(C)(C)OC(=O)NCCCNCc1c(O)cccc1Cl 113335424 FYHQENFIMLWKLO-UHFFFAOYSA-N 314.813 3.050 10 10 DGCE O=C(/C=C/c1cncc(O)c1)N(CC1CC1)c1cccc(F)c1 1471168681 WOVUTVKXDPMFQV-VOTSOKGWSA-N 312.344 3.383 10 10 DGCE CCCC(=O)N1CC[C@@H](CCNCc2ccc(OC)c(C)c2)C1 1484503857 PGEODYPHYQULGU-MRXNPFEDSA-N 318.461 3.132 10 10 DGCE CCc1onc(C)c1NC(=O)c1cc2cc(O)c(O)cc2s1 1623092671 ZWLAYEJYFKZOEV-UHFFFAOYSA-N 318.354 3.424 10 10 DGCE C[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)c1ccc[nH]1 1632209874 CBZBXDGPBQIERI-QMMMGPOBSA-N 302.355 3.132 10 10 DGCE C[C@@H](NCc1ccc(Br)cn1)c1cc(O)ccc1O 1927138243 XSWRPLGRSLZMPI-SECBINFHSA-N 323.190 3.106 10 10 DGCE C/C(=C\c1ccccc1Cl)C(=O)NCc1ccc(O)cc1O 1630301958 OLMDTLWSKXJGSM-DHZHZOJOSA-N 317.772 3.471 10 10 DGCE CC(C)CN1N=C(c2ccccc2)/C(=C/c2ccncc2)C1=O 1865673698 RXHHGUXTKAPZLM-ATVHPVEESA-N 305.381 3.368 10 10 DGCE CN[C@H](CC1(NC(=O)OC(C)(C)C)CCC1)c1ccccc1O 1936967577 ITNWAXQCTILYJB-CQSZACIVSA-N 320.433 3.490 10 10 DGCE CNCc1ccc(N2CCSCC(F)(F)C2)c(Cl)c1 1878900411 OPKRVBXKVZGTMM-UHFFFAOYSA-N 306.809 3.248 10 10 DGCE NC1(C2CCN(Cc3cc(Cl)cc(Cl)c3O)CC2)CC1 1968001658 OIAIHTDOQBCJTN-UHFFFAOYSA-N 315.244 3.402 10 10 DGCE C[C@H](CCCCCO)NCc1ccc(Br)cc1O 1969743591 RBCLXGFPMGGCLO-LLVKDONJSA-N 316.239 3.186 10 10 DGCE NCc1ccc(N2CCC[C@@H](OCc3ccccc3)C2)c(F)c1 1987054670 OOZWRPFYSWUEJH-QGZVFWFLSA-N 314.404 3.470 10 10 DGCE CNCc1ccc(N(C)[C@@H]2CCSC2)c(C(F)(F)F)c1 163671881 PEQVUQHOINXJMX-LLVKDONJSA-N 304.381 3.367 10 10 DGCE CN[C@H](c1nc(C)c(Br)s1)c1ccccc1O 2000316852 TVEIPTPVTQXPPW-JTQLQIEISA-N 313.220 3.228 10 10 DGCE CSCC1(C)CN(c2ccc(CN)c(Br)c2)C1 2011565412 LRVRSSMDPSYGSH-UHFFFAOYSA-N 315.280 3.097 10 10 DGCE C[C@@H]1CN(Cc2ccccc2)CCN1c1ccc2c(c1)CC[C@H]2O 2012706950 MJAHKJSAARZAQO-IIBYNOLFSA-N 322.452 3.377 10 10 DGCE COc1ccc(N(C)C[C@@]2(Br)CC2(F)F)cc1 2023776780 YOCVFXUWYLHURE-NSHDSACASA-N 306.150 3.304 10 10 DGCE CCN(CCCCO)c1ccc([C@H](C)O)c(Br)c1 2041181163 SEDUYJQXWNSAJX-NSHDSACASA-N 316.239 3.101 10 10 DGCE [N-]=[N+]=NCCCNC(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1 701281340 OBWIQUHISRPGMK-UHFFFAOYSA-N 318.120 3.332 10 10 DGCE CO[C@@]1(C)C[C@H]1NCc1cc(Cl)cc(Br)c1O 708180236 XEDIPTXZLBVICQ-PWSUYJOCSA-N 320.614 3.075 10 10 DGCE CO[C@H]1CC[C@@H](C)N(Cc2ccc(Br)cc2O)C1 687212857 DHWPBMOONALVQA-MFKMUULPSA-N 314.223 3.154 10 10 DGCE Nc1ccc2c(ccn2Cc2sncc2Br)c1 719820178 ZAVISGQDWLAESX-UHFFFAOYSA-N 308.204 3.491 10 10 DGCE Cc1ccc(Cn2nc(C)cc2C(=O)OC(C)(C)C)c(O)c1 2069988704 ZLJFPXBOBVKWNO-UHFFFAOYSA-N 302.374 3.209 10 10 DGCE O=[N+]([O-])c1ccc(O)c(Cn2ncc(C3CCCCC3)c2O)c1 2070205044 JGUOGMZGSBWXPZ-UHFFFAOYSA-N 317.345 3.299 10 10 DGCE Cc1onc(CN2CCC[C@H](CN=[N+]=[N-])C2)c1Br 2055412739 HKAOOPXBFVCJFU-SECBINFHSA-N 314.187 3.268 10 10 DGCE Nc1cccc(Br)c1N[C@@H]1CCNC12CCCC2 2071642746 RAHXKHOPKFMVPQ-GFCCVEGCSA-N 310.239 3.118 10 10 DGCE Oc1ccc(Cl)cc1CNCc1cc(C(F)(F)F)on1 2192909329 YGDVKLWBJBERDP-UHFFFAOYSA-N 306.671 3.342 10 10 DGCE C[C@@]12CC[C@@H]1CN(c1ccc(CN)c(Br)c1F)C2 2086877570 KNGXFCNXTIZXFX-YGRLFVJLSA-N 313.214 3.283 10 10 DGCE C[C@H](N)c1ccc(N(C)C[C@@]2(C)CSCCO2)c(Cl)c1 2201254176 KUKSYNVQRFAECM-NHYWBVRUSA-N 314.882 3.318 10 10 DGCE COc1ccnc(C)c1NCc1c(O)cccc1Br 2230134815 WXNGIJIKCZPGSK-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE CC[C@@H](C)NCc1ccc(N(C)CC[S@](C)=O)c(Cl)c1 2240083288 ZEFWGASEVOZYDP-ODXCJYRJSA-N 316.898 3.043 10 10 DGCE CN1C(=O)C(=C2N(C)c3ccccc3C2(C)C)SC1=S 2297452603 YVTIZMCTBKDMGC-UHFFFAOYSA-N 304.440 3.116 10 10 DGCE O=C1NN(c2cccc(Cl)c2)C(=O)C1=CC=Cc1ccccc1 2297453339 GJZBEHWMAWWIHF-UHFFFAOYSA-N 324.767 3.358 10 10 DGCE Cc1ncsc1C=C1SC(=S)N(c2cccnc2)C1=O 2297687234 YOIUXXJCDHGRPD-UHFFFAOYSA-N 319.436 3.252 10 10 DGCE C[C@@H](N)c1ccc(N(CCF)CCF)c(Br)c1 2301643243 CIAXPLWUYMAJBB-SECBINFHSA-N 307.182 3.214 10 10 DGCE CC=CC[C@H](CO)N[C@H](C)c1ccc(Br)cc1O 2309492200 VLFYEHOPFGMVLU-ZYHUDNBSSA-N 314.223 3.132 10 10 DGCE CC=CC[C@@H](CO)N[C@H](C)c1cc(Br)ccc1O 2309492409 ZUMHXGQEXISFSZ-PWSUYJOCSA-N 314.223 3.132 10 10 DGCE C[C@@H](NC[C@H](O)c1ccc(OC(F)F)cc1)c1ccccc1O 179879163 MNDZHRRMBGEDIU-BZNIZROVSA-N 323.339 3.378 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)C(=O)Nc1nc2ccccc2o1 170032342 UFQRQJMFKMUDNY-SNVBAGLBSA-N 312.325 3.056 10 10 DGCE COc1cccc(Cl)c1C(=O)N(C)Cc1ccccc1O 120235881 YKVQYYCADQQCAC-UHFFFAOYSA-N 305.761 3.326 10 10 DGCE C[C@H]1c2ccsc2CCN1c1cc2c(cc1N)OCCO2 42740446 DHAONKJORHAZHJ-JTQLQIEISA-N 302.399 3.225 10 10 DGCE C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)N[C@@H]1CCc2cccc(O)c21 381799813 UDFFUBYBVZUDEW-MBNYWOFBSA-N 320.433 3.271 10 10 DGCE COCCN(Cc1ccccc1)c1c(F)cc(CN)cc1F 384351956 BDKSEYTVUJWEDH-UHFFFAOYSA-N 306.356 3.077 10 10 DGCE CCO[C@@H]1C[C@@H](N[C@H](C)c2ccccc2O)C12CCOCC2 248636046 KUIMHLMBYZODSV-KBRIMQKVSA-N 305.418 3.017 10 10 DGCE COc1c([N+](=O)[O-])ccc(CNC2CCC3(CC2)CC3)c1O 278116369 AMJQZHRSSDRGEK-UHFFFAOYSA-N 306.362 3.121 10 10 DGCE COc1cc(Cl)cc(CN[C@@H](C)[C@@H](O)c2ccccc2)c1O 289998110 CTPCGJNNOVKRAO-MEDUHNTESA-N 321.804 3.266 10 10 DGCE COc1ccccc1N(CCO)Cc1cc(Cl)cc(C)c1O 809792555 AKBFQAGNAVISSO-UHFFFAOYSA-N 321.804 3.362 10 10 DGCE Oc1cc(F)c(Cl)cc1CNCc1nccn1C(F)F 294258929 NUOPKOSRAVADDC-UHFFFAOYSA-N 305.687 3.066 10 10 DGCE N[C@@]1(c2ccc(N3CCCC3)cc2)CCCC2(CC1)OCCO2 2163137912 IDHXZVPTGJMBLK-SFHVURJKSA-N 316.445 3.148 10 10 DGCE Oc1cc2c(cc1CN1CCn3c(cc4ccccc43)C1)OCO2 812300713 VWTJZNBWJYWLIX-UHFFFAOYSA-N 322.364 3.091 10 10 DGCE O=C(C(F)=C1CCC1)N(Cc1ccccc1O)C[C@H]1CCCO1 819420052 POAOMCRFSSCLNL-OAHLLOKOSA-N 319.376 3.307 10 10 DGCE O=[N+]([O-])c1cc(Cl)cc(CNc2cc3c(cn2)CCC3)c1O 815159224 NERSICDIGHOAHN-UHFFFAOYSA-N 319.748 3.450 10 10 DGCE Cc1cnccc1/C=C/C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 829817737 QBJDBVBZELNLMN-VSGCLNPGSA-N 309.413 3.347 10 10 DGCE COc1cc(Cl)cc(CNCCCC2CCOCC2)c1O 824477077 BJAQNCRDIHPZPZ-UHFFFAOYSA-N 313.825 3.351 10 10 DGCE CCOc1ccc(O)c(CNC2CCC(OC(F)F)CC2)c1 825143251 CSANDSXEXKYQIT-UHFFFAOYSA-N 315.360 3.431 10 10 DGCE O=C(O)[C@H]1CCN[C@H]1c1c(O)c(Cl)cc(Cl)c1Cl 1952795586 SIAIECCVMZPLPY-AJAUBTJJSA-N 310.564 3.088 10 10 DGCE CN(C)c1ccc(/C=C/CNC[C@H](O)c2ccc(F)cc2)cc1 835033480 UIZASSGXUUQCSG-RTLBZRNLSA-N 314.404 3.228 10 10 DGCE CCOc1ccc(O)c(CN[C@@H](C2CC2)[C@H]2CCCCO2)c1 848560797 RMRSKXWFGCPHAX-MSOLQXFVSA-N 305.418 3.228 10 10 DGCE CN(C)c1cc(F)c(CNC[C@H]2CCN2C2CCCC2)cc1F 858285021 GVQRAKAZSLGERC-OAHLLOKOSA-N 323.431 3.137 10 10 DGCE CN1CCCc2cc(CN[C@@H]3CC[C@@H]4COCC[C@H]4C3)ccc21 921625299 KIPMWMYCYBQSMA-QXAKKESOSA-N 314.473 3.364 10 10 DGCE C[C@H]1C[C@H](NCc2ccc(N3CCOCC3)c(F)c2)CCS1 922837312 SIFADIFUJCMQPG-DZGCQCFKSA-N 324.465 3.036 10 10 DGCE CC[C@@H](N[C@H]1C[C@@](CN)(c2ccccc2)C1)c1ccccc1O 925886914 MYZPQHYAZANMTR-POAQFYNOSA-N 310.441 3.492 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)CC(C)(C)C)C2)cc1 855225978 MMCMGSPPHYXBAE-LSDHHAIUSA-N 318.461 3.462 10 10 DGCE COC(=O)c1ccc(O)c([C@H](C)NC[C@@H](C)c2ccncc2)c1 756632965 GCWNCGXXWBRDFF-OLZOCXBDSA-N 314.385 3.028 10 10 DGCE COc1ccc2c(c1)CCCCN2Cc1nnc(C)n1C1CC1 766271112 XEKYBQMPVRITQV-UHFFFAOYSA-N 312.417 3.273 10 10 DGCE O=C(Nc1ccc([C@@H]2CCOC2)cc1)N1Cc2cccc(O)c2C1 931563175 SLOIPRIYZMNAFR-OAHLLOKOSA-N 324.380 3.444 10 10 DGCE COc1cc(N2CC3(CCC3)C[C@H]2C)c([N+](=O)[O-])cc1OC 763035727 MOTOSLMQIWPSOR-LLVKDONJSA-N 306.362 3.381 10 10 DGCE COc1cc(OC)cc(N(C)C(=O)/C(C)=C/c2cccnc2)c1 1128115366 BLPQDTDNYFLPDC-MDWZMJQESA-N 312.369 3.165 10 10 DGCE CN(C)c1ccc(CN2CCC[C@@H](OC(F)F)C2)cc1F 781533026 WTVWDMCDXDYAHY-GFCCVEGCSA-N 302.340 3.095 10 10 DGCE CC(C)(C)[C@H]1CCN(Cc2c(O)ccc(Cl)c2F)C[C@@H]1O 792174126 LRHISUKEEXDZRQ-FZMZJTMJSA-N 315.816 3.414 10 10 DGCE CNCc1cc(F)c(N(C)[C@H]2CC[C@@H](SC)C2)c(F)c1 708299819 DNJIKCCOTNUUCQ-NWDGAFQWSA-N 300.418 3.405 10 10 DGCE CNCc1cc(F)c(N(C)[C@@H]2CCCSCC2)c(F)c1 709613153 UMDPBVVKEIJSIH-GFCCVEGCSA-N 300.418 3.406 10 10 DGCE C[C@@H]1CCCCN1CCNCc1c(O)ccc(Cl)c1F 790949746 OMXOUAKFDDLDMB-LLVKDONJSA-N 300.805 3.149 10 10 DGCE COc1cncc(CNCc2cc(Cl)cc(Cl)c2O)c1 699804938 MABZYAOXWNNSSH-UHFFFAOYSA-N 313.184 3.392 10 10 DGCE C[C@@H]1O[C@H](C)[C@H](C(=O)NCc2c(O)ccc3ccccc23)[C@H]1C 1157050342 DZOMRVWLSMDLNI-ZVZLLHMNSA-N 313.397 3.221 10 10 DGCE CC[C@@H]1[C@@H](Nc2ccc(N)cc2)CCN1C(=O)OC(C)(C)C 1959359282 HSUNKRQKOMZQFB-LSDHHAIUSA-N 305.422 3.469 10 10 DGCE C[C@H](SCc1ccccc1)C(=O)NCc1c(O)cccc1O 1156881265 WKFAKQPMRGVISZ-LBPRGKRZSA-N 317.410 3.036 10 10 DGCE CO[C@H]1CC[C@@H](NC(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 1326202941 YDDOLDYAMSVDSO-AEFFLSMTSA-N 312.413 3.391 10 10 DGCE CC(C)C[C@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 1439960258 LFTAGNYPXGXCMA-YJBOKZPZSA-N 319.493 3.154 10 10 DGCE CO[C@@H]1CCC[C@@H]1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1356267184 NMLCENKTTDDLSD-ZWKOTPCHSA-N 316.445 3.060 10 10 DGCE CN[C@@H](C)c1ccc(N(Cc2ccccc2)[C@H](C)CO)c(F)c1 1914360235 MAYRVGCVMQBHHJ-CABCVRRESA-N 316.420 3.494 10 10 DGCE COc1ccc(N(C)Cc2cnn(Cc3ccccc3)c2)c(N)c1 1915034092 OPHLPMWIABQTDM-UHFFFAOYSA-N 322.412 3.159 10 10 DGCE O=C(CCc1ccncc1)NCc1c(O)ccc2ccccc12 1472085875 BMRBQHOJPNQJTI-UHFFFAOYSA-N 306.365 3.189 10 10 DGCE COCCCNCc1ccc(N2CCC(C)CC2)c(OC)c1 212656346 ZYMZBKDRVZBEQK-UHFFFAOYSA-N 306.450 3.058 10 10 DGCE CCCN(Cc1ccc(F)cc1)C(=O)Cc1ccc(O)c(O)c1 1624290211 YZBQSOMANPKJJL-UHFFFAOYSA-N 317.360 3.218 10 10 DGCE C[C@H](NC(=O)c1cc(-c2cccs2)[nH]n1)c1ccccc1O 1557967771 LAVHBMAJCIMVGF-JTQLQIEISA-N 313.382 3.335 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1c(F)cncc1F 1558553817 BIQBTYADFYLPPD-UHFFFAOYSA-N 314.291 3.149 10 10 DGCE CC(C)(CCNC(=O)c1c(F)ccc(O)c1O)c1ccccc1 1648485370 SSHNVIYQCFZPLV-UHFFFAOYSA-N 317.360 3.335 10 10 DGCE COc1cc(CC(=O)NCc2cc(Cl)ccc2O)ccc1C 1644590893 SZUNSICQKNZKQN-UHFFFAOYSA-N 319.788 3.222 10 10 DGCE CN[C@@H](c1ccccc1O)[C@H](NC(=O)OC(C)(C)C)C(C)C 1928474650 OXNJXDMWCJZTEH-CABCVRRESA-N 308.422 3.202 10 10 DGCE CC(C)CNCc1ccc(N2C[C@@H]3CC[C@@H](C2)O3)c(Cl)c1 164140102 MQATYJOOXMNNFB-GJZGRUSLSA-N 308.853 3.453 10 10 DGCE COc1cc(C)cc(CN2CCC[C@H](n3cc(C)cn3)C2)c1O 164387922 WLKXEKLPCDEYHL-INIZCTEOSA-N 315.417 3.051 10 10 DGCE O=C(NCc1ccc(O)c(O)c1)[C@@H]1C[C@@H]1c1ccccc1Cl 159010808 QJADOMXGMXZIEA-CHWSQXEVSA-N 317.772 3.171 10 10 DGCE CCCN1N=C(c2ccccc2)/C(=C/c2ccc(O)c(O)c2)C1=O 1865649880 JFHPITLUOKICSV-PTNGSMBKSA-N 322.364 3.138 10 10 DGCE C[C@H]1SCCS[C@@H]1c1noc(-c2cccc(O)c2O)n1 126888026 SCMXQMJVAVYKDF-HQJQHLMTSA-N 310.400 3.057 10 10 DGCE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(CCCCN=[N+]=[N-])C1 1962301720 WJWFPYDHYQHWDE-QWHCGFSZSA-N 311.430 3.312 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNCc1nc(C(F)F)no1 895726700 FXBHOVSYLRAPIT-UHFFFAOYSA-N 324.114 3.309 10 10 DGCE CCN(Cc1ccc(N)cc1)C(=O)CCOCc1ccccc1 1976702171 KPACDKKYLXUDNQ-UHFFFAOYSA-N 312.413 3.224 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H](Nc2ccc(N)cc2)CC2(CC2)C1 1977663631 BBMFBMLRFYUQIH-HNNXBMFYSA-N 317.433 3.470 10 10 DGCE N[C@H]1CCc2cc(N(Cc3ccccc3)[C@H]3CCOC3)ccc21 1986610788 UQZRXHWFQWJSBF-ICSRJNTNSA-N 308.425 3.428 10 10 DGCE CC(C)CNCc1cnc(Sc2n[nH]c(C3CC3)n2)s1 2155328768 OJKADWNZGQRRQI-UHFFFAOYSA-N 309.464 3.035 10 10 DGCE OCc1ccc(N2CCO[C@H](c3ccsc3)C2)c(Cl)c1 2171860089 UIKLLZGXURKMCF-HNNXBMFYSA-N 309.818 3.472 10 10 DGCE CC[C@H](N)c1ccc(N2CC3(CN(Cc4ccccc4)C3)C2)cc1 706656707 IAJZQXIBXSWGAH-FQEVSTJZSA-N 321.468 3.419 10 10 DGCE Oc1c(Cl)cccc1CN1CCO[C@H](C(F)(F)F)CC1 687288330 AGGGXVVYXBEJKI-NSHDSACASA-N 309.715 3.199 10 10 DGCE Oc1c(F)cc(Br)cc1CNCC1CC=CC1 715738077 QKLDCBUUPKQEIG-UHFFFAOYSA-N 300.171 3.350 10 10 DGCE Oc1ccc(Br)cc1CNC[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32 2070859064 SMPWNMHDIRFVRW-MPAKNLCJSA-N 308.219 3.146 10 10 DGCE C[C@H](O)c1ccc(N(C)[C@H](CCO)C(F)(F)F)cc1Cl 2178510854 NEDJQOKIVJQLLW-QPUJVOFHSA-N 311.731 3.143 10 10 DGCE Oc1cccc(Br)c1CNC[C@@H]1C[C@H]1C(F)(F)F 922729238 OKTYTTROKFOOPI-IONNQARKSA-N 324.140 3.443 10 10 DGCE CCOC(=O)c1cc(CC(C)C)nn1Cc1ccc(C)cc1O 2069960043 LWLQUWMRJZZJCV-UHFFFAOYSA-N 316.401 3.321 10 10 DGCE Cc1ccc(O)c(Cn2nc(C3CC3)c(N)c2C(F)(F)F)c1 2079138033 SJPHRSMCLQWRAM-UHFFFAOYSA-N 311.307 3.424 10 10 DGCE NCc1cc(F)c(N2C[C@H]3CCC(F)(F)[C@@H]3C2)cc1Cl 2190003248 UCPTWZNVAHVFGC-PSASIEDQSA-N 304.743 3.419 10 10 DGCE Cc1cc([C@@H](O)c2ccc(N(C)C)cc2)oc1Br 2044718445 JPOZODMOOFHFNI-ZDUSSCGKSA-N 310.191 3.498 10 10 DGCE CCC[C@@H](COC)N(C)c1ccc(CN)c(Br)c1 2047301494 KAGJOHUPJPLGEU-ZDUSSCGKSA-N 315.255 3.159 10 10 DGCE C[C@@H](N)c1ccc(N2CC(F)(C3CC3)C2)cc1Br 2052051664 BHPDOWVOIRJRBA-SECBINFHSA-N 313.214 3.407 10 10 DGCE CC[C@](C)(CN(C)c1ccc(CO)c(Br)c1)OC 2066262929 LXSAYVXVCAEKMK-CQSZACIVSA-N 316.239 3.193 10 10 DGCE CN(C[C@@H]1C[C@@H]1CF)c1ccc(CN)c(Br)c1F 2071385704 ZPSGSYVCAAXEFV-ZJUUUORDSA-N 319.193 3.089 10 10 DGCE CO[C@@H](CNCc1cc(Cl)cc(Cl)c1O)CSC 2218737141 FJMCZCGDRLQBOX-JTQLQIEISA-N 310.246 3.167 10 10 DGCE CN(C[C@@H](F)C1CCC1)c1ccc(CN)c(Br)c1 2220910766 VSOLLMYUZBHRGN-CQSZACIVSA-N 315.230 3.482 10 10 DGCE CC(C)c1ccc(C=C2C(=O)NN(c3ccccc3)C2=O)cc1 2293245274 SPVMHSLIEHEIJS-UHFFFAOYSA-N 306.365 3.271 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)C=Cc2cnc(C)s2)c1 2304863222 VDCTXGJFJPOAEP-JTQLQIEISA-N 318.398 3.056 10 10 DGCE Cn1ccc2ccc(NC(=O)C=Cc3ccc(O)c(O)c3)cc21 2307996743 QAPOZHZLRRFXEH-UHFFFAOYSA-N 308.337 3.241 10 10 DGCE CC[C@@H](N[C@@H]1C[C@@H]1COC)c1cc(Br)ccc1O 2309736269 QUWTZFTUTPNAOF-OASPWFOLSA-N 314.223 3.230 10 10 DGCE OCCNc1c2ccccc2nc2c(F)c(F)c(F)c(F)c12 4269579 JSCFSSXRGZMLJQ-UHFFFAOYSA-N 310.250 3.349 10 10 DGCE CN[C@H](C)c1ccc(N2CCN(Cc3ccccc3)CC2)cc1 302862377 HDSMAFWDKHNPAT-QGZVFWFLSA-N 309.457 3.289 10 10 DGCE CC[C@@H]1CN(c2ccc(CN)cc2Br)CCS1 157295321 HQOBDIQUOSEVGZ-LLVKDONJSA-N 315.280 3.240 10 10 DGCE COc1ccc(CNCc2nc3ccccc3n2C2CC2)c(O)c1 184785135 GYNNVBWIJXUMJD-UHFFFAOYSA-N 323.396 3.375 10 10 DGCE CC[C@@H](Nc1cccc(NS(C)(=O)=O)c1)c1ccccc1O 192956434 JFSTYEWBSKLTQS-OAHLLOKOSA-N 320.414 3.327 10 10 DGCE COc1ccc(OC)c(C2=C/C(=C\c3cccnc3)C(=O)O2)c1 83312551 YKYXFQMVPKJXAI-MDWZMJQESA-N 309.321 3.080 10 10 DGCE COc1cccc(CNC(=O)Nc2ccc3cc[nH]c3c2)c1O 194317511 BUEHZSYCQYUXAB-UHFFFAOYSA-N 311.341 3.204 10 10 DGCE CN1CCc2cc(CN[C@@H]3CCN(Cc4ccccc4)C3)ccc21 383448056 GQCGPJVWQNGHDQ-HXUWFJFHSA-N 321.468 3.043 10 10 DGCE CCCN[C@@]1(C(=O)O)CCC[C@@H](Sc2nccs2)C1 93778659 NJVZYTHSBCPHNO-MFKMUULPSA-N 300.449 3.001 10 10 DGCE CC[C@@H](C)NC(=O)N1CCN(c2ccc(OC(C)C)cc2)CC1 240708882 AMBFZEFRPHYTSW-OAHLLOKOSA-N 319.449 3.104 10 10 DGCE Cc1cncc(/C=C\C(=O)N(CC(F)(F)F)c2ccccn2)c1 255492822 HCCUEDOXOCPUCH-WAYWQWQTSA-N 321.302 3.394 10 10 DGCE COc1cccc(CN[C@@H](c2ccccc2)[C@H]2CCOC2)c1O 374496180 LBINVSAEBAVNFK-WMZOPIPTSA-N 313.397 3.268 10 10 DGCE Cc1cc(Cl)cc(CN2C[C@@H](CO)c3ccccc32)c1O 816636901 LBVVYGOCCRDFJU-ZDUSSCGKSA-N 303.789 3.450 10 10 DGCE C[C@@]12COC[C@@H]1CN(Cc1ccc(N3CCCCC3)cc1)C2 827283669 RCCOIDZHAKYQNJ-PKOBYXMFSA-N 300.446 3.145 10 10 DGCE CCn1ccnc1CN[C@H](C)c1cccc(C(F)(F)F)c1O 834880372 WGNKSCSXLVYNHW-SNVBAGLBSA-N 313.323 3.478 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCC[C@@H](OC(F)F)C2)cc1 835047334 GGUQYTFPXLRSFX-LLCTXKFZSA-N 310.388 3.469 10 10 DGCE COCC(C)(C)CC(=O)NCc1cc(Cl)cc(Cl)c1O 839770457 MQRBISFWSHIYAJ-UHFFFAOYSA-N 320.216 3.378 10 10 DGCE CN(Cc1ccccc1O)C(=O)NC[C@H]1CCC2(CCCC2)O1 847449320 OSKMJDHWGLRFNR-OAHLLOKOSA-N 318.417 3.025 10 10 DGCE C[C@H](NC(=O)Nc1ccc(N)cc1)[C@@H]1Oc2ccccc2[C@@H]1C 841298751 DDBUAQFIZOHRSQ-NVGCLXPQSA-N 311.385 3.344 10 10 DGCE CC(C)N(Cc1c(O)ccc2ccccc12)C[C@@H]1CCC(=O)N1 840187705 WNMTYXCTONPHDF-HNNXBMFYSA-N 312.413 3.034 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)NCC[C@@H]2CC[C@H]3C[C@H]23)c1 924387987 NURSYXOBATVTPP-WFGGJUAMSA-N 318.417 3.197 10 10 DGCE c1cc2c(cc1CNC1CCN(C3CCC3)CC1)CCCO2 921611453 GLKSAYIYKSHACQ-UHFFFAOYSA-N 300.446 3.118 10 10 DGCE COc1cc(C)cc(CN2CC=C(C(F)(F)F)CC2)c1O 756910234 DACVFFJPLURMSQ-UHFFFAOYSA-N 301.308 3.404 10 10 DGCE COc1ccc(N2CC[C@H](N[C@@H]3CCO[C@@H](C(C)C)C3)C2)cc1 850346252 DEZZPZLCNHPITG-JTDSTZFVSA-N 318.461 3.067 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)[C@@H](OC)C1CCC1 854374099 PJWFIRSBENYHQU-KRWDZBQOSA-N 305.418 3.336 10 10 DGCE CC[C@H](CC(F)F)C(=O)NCc1ccc2cccnc2c1O 862025443 UKYUWMNRERTTPK-SNVBAGLBSA-N 308.328 3.238 10 10 DGCE C[C@@H](NCc1cnn(-c2ccccc2)n1)c1ccc(N(C)C)cc1 765142306 ISNISODQUQNFDL-OAHLLOKOSA-N 321.428 3.184 10 10 DGCE COc1ccc([C@@H]2C[C@H]2CC(=O)N2Cc3cccc(O)c3C2)cc1 871205908 NQBZYXNYHVYQHM-RDJZCZTQSA-N 323.392 3.437 10 10 DGCE Cn1cnc(/C=C\C(=O)N2CCCc3cc(Cl)cc(F)c32)c1 1125879273 MXVREEJXTHKANZ-PLNGDYQASA-N 319.767 3.205 10 10 DGCE C[C@@H](O)CCNCc1ccc2c(c1)CCN2Cc1ccccc1 796308384 QFUYPCBLHCUELR-MRXNPFEDSA-N 310.441 3.110 10 10 DGCE C[C@@H](NCc1cncc(Br)c1)c1ccccc1O 702971770 JHVZZRAMXKGICP-SNVBAGLBSA-N 307.191 3.401 10 10 DGCE C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@]1(C)C(=O)O 710280055 REIPCLLIEAQNGM-CLAHSXSESA-N 318.200 3.242 10 10 DGCE CCCCCc1cc(C(=O)N[C@H](C)c2ccccc2O)n[nH]1 1151885883 LYWNLADLJLSDPA-GFCCVEGCSA-N 301.390 3.339 10 10 DGCE C/C(=C\C(=O)NCc1c(O)cccc1F)c1cccc(F)c1 1156171237 YOXHRFKJDCYAMG-DHZHZOJOSA-N 303.308 3.390 10 10 DGCE CC[C@@H](NC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)C1CC1 1312884990 LGABQJUVNKWVAK-KBXCAEBGSA-N 317.477 3.480 10 10 DGCE COc1ccc(CCN[C@H]2C[C@H](C)c3c(C)ccc(O)c32)cn1 1331531901 JAWSWKZZWDVEIV-ZFWWWQNUSA-N 312.413 3.485 10 10 DGCE Cc1cc(=NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc(C)[nH]1 1338319705 KTPKOPVMUFPTCQ-CQSZACIVSA-N 312.417 3.069 10 10 DGCE C/C(=C\c1ccncc1)C(=O)NCc1ccc(N(C)C)c(F)c1 1356251882 XSAXNJGHVTZYEL-JLHYYAGUSA-N 313.376 3.006 10 10 DGCE C[C@H](O)c1ccc(N(Cc2ccccc2)[C@H](C)CO)c(F)c1 1914223323 LQCKEYDFZNAMCI-KGLIPLIRSA-N 303.377 3.266 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN(Cc2ccncc2Br)C1 1912146301 QTAFBZLXKVEPNV-JTQLQIEISA-N 310.199 3.366 10 10 DGCE [N-]=[N+]=NCC1CCN(Cc2cnc(Br)s2)CC1 1912174793 DSSQLYFGCVYCJB-UHFFFAOYSA-N 316.228 3.428 10 10 DGCE CC(C)(O)CN(Cc1ccccc1)c1c(F)cc(CO)cc1F 1915365305 VSDSRHQUONWTAL-UHFFFAOYSA-N 321.367 3.235 10 10 DGCE CSC[C@H](C)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1525106276 CWPBXIQVUYKYKP-AWEZNQCLSA-N 306.475 3.244 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCO[C@H]2C2CC2)cc1 1462712038 SVXHECKIZSWRBR-MOPGFXCFSA-N 324.424 3.391 10 10 DGCE CCCCNCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(OC)c1 212668805 QLXGAOSYBPAWQD-GASCZTMLSA-N 306.450 3.199 10 10 DGCE O=C(CSc1ccccc1)NCc1cc(Cl)ccc1O 1628666330 AHBRNXGELQIPKN-UHFFFAOYSA-N 307.802 3.454 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H](O)CC(C)C 1622370600 FCSRIKBUXQZKQJ-AWEZNQCLSA-N 320.458 3.292 10 10 DGCE Cc1n[nH]c(C)c1[C@H](C)C(=O)NCc1c(O)ccc2ccccc12 1558554521 RUYCBPQWXSPNFR-NSHDSACASA-N 323.396 3.305 10 10 DGCE COc1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)o1 1556884919 OFRPBRRMHCSIKS-UHFFFAOYSA-N 316.140 3.231 10 10 DGCE CC1(C)CCC[C@H](CNC(=O)/C=C\c2ccc(O)c(O)c2)C1 1630021401 DFTLZOXJMIQQSA-QPBFKRLHSA-N 303.402 3.444 10 10 DGCE O=C(CCc1cc(Cl)cs1)NCc1ccc(O)cc1O 1638352833 WEWCDIKKFGOBEO-UHFFFAOYSA-N 311.790 3.062 10 10 DGCE O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1Cc2cccc(O)c2C1 1632703738 OVMWPJDTXVGJFW-UHFFFAOYSA-N 318.716 3.110 10 10 DGCE CN[C@@H](C)c1ccc(N(C)Cc2ccno2)cc1Br 2137782624 VUVVAFFPCOAPKJ-JTQLQIEISA-N 324.222 3.354 10 10 DGCE C[C@H](C(=O)NCc1ccc2cccnc2c1O)c1cccs1 1630533188 XNJVMLWZBKSQNE-NSHDSACASA-N 312.394 3.422 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2Cc1nc(C(C)(C)C)co1 1653144766 MLKXTIVVDOWAJJ-UHFFFAOYSA-N 315.417 3.437 10 10 DGCE Cc1ccc(N2C(=O)[C@H](CN3CCCCC3)SC2=S)cc1 5751479 DHPSNKOCTJXHOT-AWEZNQCLSA-N 320.483 3.214 10 10 DGCE CO[C@H]1C[C@@H](NCc2cc(Cl)cc(Br)c2O)C1 1941957492 UBWRPQPAAANZDU-AOOOYVTPSA-N 320.614 3.075 10 10 DGCE CN(C(=O)CCNCc1cc(Cl)ccc1O)C1CCCCC1 1857865101 VTPGVZFJRDWHII-UHFFFAOYSA-N 324.852 3.316 10 10 DGCE CN(CCCN=[N+]=[N-])[C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 1962286953 DSGKKGXLFFHFJE-OLZOCXBDSA-N 311.430 3.312 10 10 DGCE Cc1cc(O)c(CNCc2cc(N(C)C)ccn2)cc1Cl 896297922 FJKWNKBNHZPOHW-UHFFFAOYSA-N 305.809 3.105 10 10 DGCE Oc1ccc(Cl)cc1CNCc1ccc2nsnc2c1 1963629248 JMKNPTULPQMXGA-UHFFFAOYSA-N 305.790 3.340 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CN(Cc2ccc(N)cc2)CC1(C)C 1977893572 MDUWUAZQMFVJNV-OAHLLOKOSA-N 319.449 3.004 10 10 DGCE CN[C@@H](c1ccc(N(C)C)cc1)[C@@H]1CCN1C(=O)OC(C)(C)C 1977946144 UAQDYAVONSLXLS-HOTGVXAUSA-N 319.449 3.023 10 10 DGCE C[C@@H]1CN2CCC[C@@H]2CN1Cc1cc(Cl)cc(Cl)c1O 156074521 JETXGHBMIWWGAU-ZWNOBZJWSA-N 315.244 3.368 10 10 DGCE C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@]1(N)c1ccccc1O 1991568383 LANWQOGMHHPSEX-FZKQIMNGSA-N 320.433 3.213 10 10 DGCE COc1cc(N(C)CCCOCc2ccccc2)ccc1CO 1994424857 KZPNBDSWYUSBAA-UHFFFAOYSA-N 315.413 3.231 10 10 DGCE CO[C@H]1CCCN(Cc2cccc(Br)c2O)[C@H]1C 2037813376 UEJMBJCHIMRFGQ-GWCFXTLKSA-N 314.223 3.154 10 10 DGCE CNCc1ccc(N(C)Cc2cncc(Br)c2)cc1 703051663 PEPRAKUMALHTSS-UHFFFAOYSA-N 320.234 3.200 10 10 DGCE C[C@@H]1OCCN([C@@H](C)c2cc(Br)ccc2O)[C@@H]1C 380589608 NVYUTNZFTAUYKT-VWYCJHECSA-N 314.223 3.325 10 10 DGCE COc1cccc(O)c1[C@H](C)n1nc(-c2ccccc2)cc1N 2070176675 MFZDLOIZIBYMIF-LBPRGKRZSA-N 309.369 3.456 10 10 DGCE COc1ccc(O)c(Cn2nc(C3CCC3)c(C3CC3)c2N)c1 2079763784 SEBLGLSBTBCYGR-UHFFFAOYSA-N 313.401 3.373 10 10 DGCE COc1cc(Cl)cc(CNC[C@@H]2CC[C@@H](C)S2)c1O 2095313793 BORQLQXHWICITK-SKDRFNHKSA-N 301.839 3.428 10 10 DGCE CCCn1ncc(Br)c1NCc1ccc(N)cc1 2044158562 MARNGPBRQQQRCM-UHFFFAOYSA-N 309.211 3.250 10 10 DGCE Cc1ccc(Br)c(CNCc2ccc(N)cc2)n1 2049917606 GQMJIIFATCVEQD-UHFFFAOYSA-N 306.207 3.025 10 10 DGCE CP(C)(=O)[C@@H]1CCCN(c2ccc(CO)cc2Cl)C1 2103080416 WYSMLHWYCCFAQY-GFCCVEGCSA-N 301.754 3.424 10 10 DGCE C[C@H]1CN(Cc2ccc(N)cc2)CCCN1C(=O)OC(C)(C)C 2210261067 HDTVRLWIYMEXAQ-AWEZNQCLSA-N 319.449 3.100 10 10 DGCE Oc1ccc(Cl)cc1CNCc1conc1Br 2216769633 IAAYEWAKYDPPNK-UHFFFAOYSA-N 317.570 3.086 10 10 DGCE CSc1ncc(CNC(=O)c2cccc(F)c2F)s1 2269303153 MYAOITRPGXGTOI-UHFFFAOYSA-N 300.355 3.073 10 10 DGCE C[C@@H](Nc1cscc1S(C)(=O)=O)c1cc(F)ccc1O 2288491393 SGHXCRSJNHBVFB-MRVPVSSYSA-N 315.391 3.169 10 10 DGCE COc1ccc2c(c1)CCN2C(=O)C=Cc1cnc(C)s1 2297542345 ONRXJSCCLXUXEA-UHFFFAOYSA-N 300.383 3.063 10 10 DGCE Cc1ccc(CNC[C@H]2C[C@@H](F)C2)c(O)c1Br 2307477172 JVMHABFGULLBQE-JGZJWPJOSA-N 302.187 3.301 10 10 DGCE CCN(CCN=[N+]=[N-])C[C@@H](O)c1ccccc1Br 2315993257 ZCOHPISPGXSALT-GFCCVEGCSA-N 313.199 3.115 10 10 DGCE Fc1ccc(N=NN2CCN(c3ccccn3)CC2)cc1F 2330251768 SZMWPFJVWDLXSL-UHFFFAOYSA-N 303.316 3.181 10 10 DGCE CCC1=NN(CC(C)C)C(=O)C1=Cc1ccc(O)c(OC)c1 2332134816 NPSJLFVILIIACS-UHFFFAOYSA-N 302.374 3.048 10 10 DGCE COCC(C)(C)CNCc1ccc(C)c(Br)c1O 2327798641 KHOCJDJCWVJTHL-UHFFFAOYSA-N 316.239 3.225 10 10 DGCE CC1=NC(=O)[C@@H](/N=N/c2cccc(C(=O)O)c2)N1c1ccccc1 8680797 QRAKVWRIBCUSQM-CVTQAYBASA-N 322.324 3.260 10 10 DGCE CSCC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F 171490069 DTEGNGWJENRHRZ-UHFFFAOYSA-N 320.380 3.007 10 10 DGCE Oc1cc(Cl)ccc1CNCc1snnc1C1CCC1 2360887083 XPEMGHVTDZSDHE-UHFFFAOYSA-N 309.822 3.454 10 10 DGCE CC[C@@H](CSC)N(C)c1ccc(CNCCOC)cc1C 124206960 XFGWQQSTEWEMMU-INIZCTEOSA-N 310.507 3.309 10 10 DGCE COc1cc(O)c(CN2CC3(CC3)c3ccccc32)cc1OC 180754216 CYZQUXPWNWLEJM-UHFFFAOYSA-N 311.381 3.461 10 10 DGCE CC(=O)N(C(=S)Nc1ccc(C)cc1O)c1ccc(N)cc1 244179752 VIKMBZYRFQBPSJ-UHFFFAOYSA-N 315.398 3.033 10 10 DGCE COc1ccc(N2CCN(C(=O)/C=C\C(C)(C)C)CC2)cc1F 254944096 CAKLTBONDVBPEU-FPLPWBNLSA-N 320.408 3.085 10 10 DGCE CCCN(CCC)c1ccc(CN[C@@H](C)c2ncn(C)n2)cc1 275812890 LPQHFUKNWNXLBV-HNNXBMFYSA-N 315.465 3.292 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCCC1(F)F 807598435 VHNSIVMMJVRUDD-AWEZNQCLSA-N 311.376 3.082 10 10 DGCE CNCc1cc(F)c(N2CCC[C@H]2P(C)(C)=O)c(F)c1 2164532910 OOKYRVHNDLKXSK-CYBMUJFWSA-N 302.305 3.233 10 10 DGCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCC[C@@H]3C)CC2)cc1 819003190 AOXODRTXTLSBSZ-MAUKXSAKSA-N 316.445 3.170 10 10 DGCE C[C@H](N[C@H]1CCCCNC1)c1ccc(N2CCCCC2)cc1 817983512 FPJVKDWWVBFBLY-WMZOPIPTSA-N 301.478 3.470 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc2c(c1)CCCO2 588406260 WOZDMINQKPCTBC-YWEYNIOJSA-N 311.337 3.075 10 10 DGCE CC(C)N1CCC([C@H]2C[C@@H]2NCc2ccc3c(c2)CCO3)CC1 585506901 MTUVPMPTSGBJGL-MOPGFXCFSA-N 314.473 3.220 10 10 DGCE C[C@@H](N[C@@H]1CCOC1(C)C)c1cc(Br)ccc1O 834875036 KMMGERBPEKWNDJ-NOZJJQNGSA-N 314.223 3.373 10 10 DGCE CN(C)c1ccc(CNC[C@H](O)c2cccc(Cl)c2)cc1 918196691 BYMQFJUMIHSYQO-KRWDZBQOSA-N 304.821 3.229 10 10 DGCE Oc1cc2c(cc1CN1CCC[C@@H]1[C@H]1CCC[C@H]1O)CCC2 840117933 CKBSOATVDBTAGZ-KZNAEPCWSA-N 301.430 3.006 10 10 DGCE C[C@H](CC(=O)NCc1cc(Cl)ccc1O)c1cccnc1 846476709 OVLKKBXTVNFOJH-LLVKDONJSA-N 304.777 3.251 10 10 DGCE C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(N)cc1 841296611 WFOWTSCGVAMELE-SKDRFNHKSA-N 301.312 3.464 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@@H]1C1CC1 840484119 MXZBPHIQLJGELQ-KBXCAEBGSA-N 315.461 3.186 10 10 DGCE Cc1ccsc1[C@@H](CO)N[C@H](C)c1cc([N+](=O)[O-])ccc1O 756736931 PXUVVWWBMSKBTA-ZWNOBZJWSA-N 322.386 3.055 10 10 DGCE COC(=O)C1=CC[C@@H](N[C@H](C)c2ccc3ccccc3c2O)C1 858471983 FYKJPYYBIQMOOW-IUODEOHRSA-N 311.381 3.458 10 10 DGCE CO[C@H]1C[C@@H](CN[C@@H](C)c2cc(Br)ccc2O)C1 858592446 BWOFILFBBHQGRZ-JBLDHEPKSA-N 314.223 3.230 10 10 DGCE COC[C@@H](CCN[C@H](C)c1ccc(N2CCCCC2)cc1)OC 850485564 LBZOLQAMWQZYDJ-VQIMIIECSA-N 320.477 3.379 10 10 DGCE COc1ccc(CN(C)Cc2cc(Cl)cc(C)c2O)cn1 757917630 LWAHHRDHIZAABI-UHFFFAOYSA-N 306.793 3.390 10 10 DGCE CCOc1ccc(CN(C)CCc2ccccc2OC)c(O)c1 769333255 IKEULQHNNOPBEO-UHFFFAOYSA-N 315.413 3.474 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCCC23CC3)cc1 862128252 CIKBAAPEHNZNED-KRWDZBQOSA-N 316.445 3.170 10 10 DGCE CN(C)c1ccc(CNC2(C(=O)Nc3ccccc3)CC2)cc1 778217884 LLERNZZSCUPGRT-UHFFFAOYSA-N 309.413 3.014 10 10 DGCE Cc1cc(Cl)cc(CN2C[C@@H](O)Cc3ccccc32)c1O 789761140 BAQIEGVMNVIBRS-HNNXBMFYSA-N 303.789 3.278 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)CCCOCc2ccccc2)C1 1958669531 SWEPCOHMTJAZQO-HNNXBMFYSA-N 302.378 3.285 10 10 DGCE CC(C)Cn1ncc(NC(=O)c2cccc(O)c2O)c1C(C)C 790911421 ITZRWLWBPYHLHS-UHFFFAOYSA-N 317.389 3.326 10 10 DGCE CN1CC[C@H](NCCCSc2nccs2)[C@H]2CCC[C@H]21 796772779 VUMDGBSGUJPVKT-HZSPNIEDSA-N 311.520 3.088 10 10 DGCE Cc1cccc(N)c1N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C 1959373503 JHCWMXYVSCWBGD-TZMCWYRMSA-N 305.422 3.245 10 10 DGCE Cc1cc(C(=O)NCc2c(O)cccc2O)c2nccc(C)c2c1 1304053048 AKSNVWZRKXMNQW-UHFFFAOYSA-N 322.364 3.193 10 10 DGCE C[C@@H](NC(=O)NC[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccc(N(C)C)cc1 1234555705 NAZSJUVBUUAJSQ-OHFALNGGSA-N 313.445 3.325 10 10 DGCE c1ccc(-c2nc(CNCc3ccc4c(c3)CCO4)cs2)nc1 1177586793 KQBCKKNIRVHUTE-UHFFFAOYSA-N 323.421 3.430 10 10 DGCE CCOCc1cc(CNC2C[C@@H]3[C@@H](C2)C3(F)F)ccc1OC 1328063481 YRNVNBHGROUEEO-HUUCEWRRSA-N 311.372 3.365 10 10 DGCE c1cc(N2CCCC2)ccc1CN1CC[C@@H]([C@H]2CCCO2)C1 1331961680 ZFEUFWIYBXBCFQ-IEBWSBKVSA-N 300.446 3.288 10 10 DGCE CC(C)(C)NCc1cnc(S[C@H]2CCC[C@H](O)C2)s1 2133407971 JGZBRHXMSAKQOT-QWRGUYRKSA-N 300.493 3.427 10 10 DGCE COC(=O)c1cnc(SCc2ccccc2C(=O)OC)s1 1459105265 KPDNOSQLEJQWIN-UHFFFAOYSA-N 323.395 3.009 10 10 DGCE C[C@H](O)c1ccc(N2CC=CCC23COC3)c(Br)c1 2137001270 DCGSBNHDOWOMSP-NSHDSACASA-N 324.218 3.038 10 10 DGCE O=C(NCc1ccccc1O)C1(c2ccnc3ccccc23)CC1 1622773061 UBWBZDGGMJWPLJ-UHFFFAOYSA-N 318.376 3.288 10 10 DGCE CCCOc1ccnc(NCc2ccc(N(C)C)cc2C)n1 1559102133 HLERABIAIPCZNI-UHFFFAOYSA-N 300.406 3.252 10 10 DGCE CC(=O)c1cc(F)cc(CN2CCCSC[C@@H]2C2CC2)c1O 1560188534 OSFUXOOLTOQKCJ-MRXNPFEDSA-N 323.433 3.451 10 10 DGCE C[C@H](NC(=O)c1ccc(-c2cnn(C)c2)cc1)c1ccccc1O 1632254476 BWRNFHMKDJNERK-ZDUSSCGKSA-N 321.380 3.284 10 10 DGCE C[C@@H](NC(=O)c1ccc(Cl)c(F)c1N)c1ccccc1O 1642827873 UEPLQAYNGPZNFG-MRVPVSSYSA-N 308.740 3.258 10 10 DGCE Cc1ccc(O)c(CNC(=O)CNc2cccc(Cl)c2)c1 1640796996 VETXBLXHAWWHBB-UHFFFAOYSA-N 304.777 3.082 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)c1cc2ccccc2[nH]1 1570531431 GJYDSHQGRXESKD-UHFFFAOYSA-N 317.348 3.352 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@H](C)C1(C)CC1 1683426283 WPQPUFNFBOAPQB-HUUCEWRRSA-N 317.477 3.480 10 10 DGCE CCNCc1ccc(N2CCOC[C@H]2C)cc1C(F)(F)F 167357911 NFUOYRRLAIHWHJ-LLVKDONJSA-N 302.340 3.040 10 10 DGCE CC[C@@H](N[C@H]1CCc2nc(C(C)C)nn2C1)c1ccccc1O 156509328 ALHIBPDEBLLHHK-DZGCQCFKSA-N 314.433 3.163 10 10 DGCE CCCOC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 586478069 CGHLLVINANGYPB-UHFFFAOYSA-N 309.321 3.421 10 10 DGCE CC[C@@]1([C@H](N)c2ccccc2O)CCN(C(=O)OC(C)(C)C)C1 1936970333 KZZIDXCWWXVPRG-CRAIPNDOSA-N 320.433 3.429 10 10 DGCE C[C@H]1[C@@H](NCc2c(O)cccc2F)CCN1C(=O)OC(C)(C)C 1976861709 ZUGOZQYOAFLRGF-FZMZJTMJSA-N 324.396 3.019 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1CCN(c2ccc(N)cc2)C1(C)C 1977983695 WMJVFWVNXSVQRE-ZDUSSCGKSA-N 319.449 3.398 10 10 DGCE C[C@H](NCc1ccccc1O)[C@]1(C)CCN1C(=O)OC(C)(C)C 1978219553 MZAAZUQPUXXEMO-UGSOOPFHSA-N 320.433 3.270 10 10 DGCE Cc1cc(CO)ccc1N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 2015069496 UQWAGZAERHNGPI-CTNGQTDRSA-N 322.452 3.198 10 10 DGCE CC[C@H](CN(C)Cc1ccc(Br)cc1O)OC 2014864227 FAYLMNDJLSPSNL-GFCCVEGCSA-N 302.212 3.012 10 10 DGCE C[C@@H]1C[C@H](CCNCc2c(O)cccc2Br)CO1 2041487047 QFMPBJQYQSGOPR-MNOVXSKESA-N 314.223 3.059 10 10 DGCE Cc1cccc(CNCc2c(O)cccc2Br)n1 706863419 GKNMDQDHPIXBGZ-UHFFFAOYSA-N 307.191 3.148 10 10 DGCE CCS[C@H]1CCN(c2ccc(CN)c(C(F)(F)F)c2)C1 382992931 YYYRPEDEENRMRY-LBPRGKRZSA-N 304.381 3.496 10 10 DGCE Oc1cccc(CNCc2csc(Br)c2)c1O 397321532 NHMUCMMUBVGVTI-UHFFFAOYSA-N 314.204 3.212 10 10 DGCE CO[C@H]1CCN(c2cc(Cl)c(CN)cc2F)C(C)(C)C1 2177386092 VUTMMRLYIXUMLL-NSHDSACASA-N 300.805 3.332 10 10 DGCE CSc1cnn([C@@H](C)c2cc([N+](=O)[O-])ccc2O)c1Cl 2070249124 NJZGNJROQZZFSU-ZETCQYMHSA-N 313.766 3.482 10 10 DGCE Cc1ccc([C@@H](C2CCC2)n2nc(C(F)F)c(N)c2N)c(O)c1 2079063119 BOZPZHHFOXVLSX-CQSZACIVSA-N 322.359 3.389 10 10 DGCE COC[C@](C)(CN(C)[C@@H](C)c1cc(Cl)ccc1O)OC 2198149523 CTUXXHKPWODXJK-NHYWBVRUSA-N 301.814 3.090 10 10 DGCE COc1ccc(Br)c(CNC2[C@@H]3CCC[C@@H]23)c1O 2220463097 WISMMOSZNVMKDV-RKDXNWHRSA-N 312.207 3.051 10 10 DGCE Cc1cccc(O)c1CNC[C@H]1CC[C@H]1NC(=O)OC(C)(C)C 2244715102 SOESPKPTAQTNKO-UKRRQHHQSA-N 320.433 3.094 10 10 DGCE CCCN[C@H](C)c1cnc(SCCC(=O)OCC)s1 2266604331 TXZYRRBZBYSNAW-SNVBAGLBSA-N 302.465 3.249 10 10 DGCE Cc1ncc(C=CC(=O)N2CCOc3cccc(F)c32)s1 2300285921 YWCJBYJWZVOBSU-UHFFFAOYSA-N 304.346 3.029 10 10 DGCE Cc1cncc(/C=C/C(=O)N2C[C@@H]3CCCN3c3ccccc32)c1 492204285 YJBIXYMNHBKZBM-IJDCCNJMSA-N 319.408 3.419 10 10 DGCE CC(C)Oc1ccc(N(C)C(=O)C=Cc2cncc(O)c2)cc1 2311958596 CWZHFBHUHCYAEW-UHFFFAOYSA-N 312.369 3.251 10 10 DGCE Cc1ccc(CN(C[C@H](C)O)C(C)C)c(O)c1Br 2327621517 ODKKMCUBACSLNA-NSHDSACASA-N 316.239 3.054 10 10 DGCE Cc1nc(Br)c(N(C)[C@H](C)c2ccccc2O)n1C 2337246658 JBDXNNCYOMKHKR-SECBINFHSA-N 324.222 3.394 10 10 DGCE CCN(CCOC)[C@H](C)c1cc(Br)ccc1O 133266415 BNBSMBXNJCCSIJ-SNVBAGLBSA-N 302.212 3.184 10 10 DGCE CC(C)[C@@H](NCc1ccc(N(C)C)cc1)c1nnc2ccccn12 101930089 GSUFVBMXHBPMLN-GOSISDBHSA-N 323.444 3.282 10 10 DGCE CC(C)(C)OC(=O)[C@H]1CCN(Cc2cc(Cl)ccc2O)C1 179961520 WICJOLUONDLBOJ-NSHDSACASA-N 311.809 3.209 10 10 DGCE Cc1ccc(-n2c(C)cc(/C=C/C(=O)N3CC[C@H](O)C3)c2C)cc1 177360571 WBCNRIDYVAOBSE-AIADIJKESA-N 324.424 3.009 10 10 DGCE C[C@@H](Cc1ccc(O)cc1)N(C)Cc1cc([N+](=O)[O-])ccc1O 178053127 FCGGWFQQRFPEQO-LBPRGKRZSA-N 316.357 3.069 10 10 DGCE COc1ccc(N(C)Cc2ccc(/C=C\C(=O)O)s2)cc1 219420230 VCUYLWKVGJTCKA-KTKRTIGZSA-N 303.383 3.491 10 10 DGCE CN1CCCc2cc(CN[C@@H]3[C@H]4CCO[C@H]4C34CCC4)ccc21 194010090 UANBCTTVRVESDM-BHIYHBOVSA-N 312.457 3.116 10 10 DGCE CO[C@H](C)c1nc(=NCc2c(C)c3ccccc3n2C)s[nH]1 337944637 ZYKOWFWKCKDXSF-LLVKDONJSA-N 316.430 3.080 10 10 DGCE Cc1cc(O)c(CN2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)cc1C 373735964 KUAVIIHJJIZMKJ-JTDSTZFVSA-N 319.445 3.167 10 10 DGCE CCn1ccnc1CN[C@H](C)c1ccc(Br)cc1O 296546469 RGINVLARSVIZFS-SNVBAGLBSA-N 324.222 3.222 10 10 DGCE COc1ccc(CN[C@H]2COc3ccc(F)cc3C2)cc1C 808452294 FDNCZNRSIXJGPU-MRXNPFEDSA-N 301.361 3.236 10 10 DGCE COCC[C@H](COC)N[C@@H](C)c1cccc(C(F)(F)F)c1O 815628384 YTFNWZYARAJNES-WDEREUQCSA-N 321.339 3.113 10 10 DGCE CCCN(CCC)c1ccc(CN2CC[C@H](NC(C)=O)C2)cc1 817413104 UBLBPXSPHPXGCO-SFHVURJKSA-N 317.477 3.023 10 10 DGCE Cc1cc(Cl)cc(CN2C[C@]3(CCCO3)[C@@H]2C2CC2)c1O 816665999 BPDCOODJUAGWLO-DLBZAZTESA-N 307.821 3.497 10 10 DGCE O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@H]1CC12CC2 823880157 NEEXSDCWYSICKR-JTQLQIEISA-N 301.173 3.051 10 10 DGCE Oc1ccc2c(c1)CN(Cc1cc(Cl)c(F)cc1O)CCO2 827657914 RWDFPQXOJWDQOD-UHFFFAOYSA-N 323.751 3.285 10 10 DGCE Cc1cc(C)c([C@H](C)NC[C@@]2(OC(C)C)CCOC2)c(O)c1 903357017 IYYYGAHXJYHJKO-YJBOKZPZSA-N 307.434 3.244 10 10 DGCE CN(C)c1ccc(/C=C\CNCCc2cnc(C3CC3)nc2)cc1 835041953 PNSTXCUCKVVKNB-ARJAWSKDSA-N 322.456 3.266 10 10 DGCE CN(C)c1ccc(/C=C\CNC[C@@H](O)CCc2ccccc2)cc1 835047201 CXLKZOAJTHDQOR-AVKJRPAMSA-N 324.468 3.349 10 10 DGCE CN(C)c1ccc(/C=C\CNC[C@](C)(O)c2ccsc2)cc1 835039774 JIPSDFGJERAJFJ-XDXAGZTOSA-N 316.470 3.325 10 10 DGCE CC(=O)c1cc(Cl)cc(CNC(C)(C)CN2CCCC2)c1O 832756261 LLCHYWHWZMZXPK-UHFFFAOYSA-N 324.852 3.212 10 10 DGCE CC1=C[C@@H](C)CN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])C1 844218852 RZKCGJPJBJNCFX-DUMNWFOQSA-N 302.330 3.095 10 10 DGCE CC1(C)CCC[C@H]1[C@@H]1CCN(C(=O)c2cccc(O)c2O)C1 844033597 PTWGKVAKJZDJHL-OCCSQVGLSA-N 303.402 3.386 10 10 DGCE C[C@@H](NCC[C@@H]1CCC2(CCC2)O1)c1cc([N+](=O)[O-])ccc1O 927127214 GOFPJUAWPYSXTH-OCCSQVGLSA-N 320.389 3.443 10 10 DGCE COc1ccc(N2CC[C@@H](CN[C@@H](C)c3ccns3)C2)cc1 926611505 LYQFWPHCVQGCBK-KBPBESRZSA-N 317.458 3.329 10 10 DGCE Cc1nc2c(o1)CCC[C@@H]2NCc1ccc(N(C)C)c(F)c1 924861528 KLAZQHVISISKHG-AWEZNQCLSA-N 303.381 3.355 10 10 DGCE C[C@@H]1C[C@@H](NC[C@@H](CO)c2ccccc2)c2c(O)ccc(F)c21 756632995 GKGHMPKXOXYLFR-IVMMDQJWSA-N 315.388 3.445 10 10 DGCE C[C@H](NC[C@]12OCCC[C@H]1C2(F)F)c1ccc(N(C)C)cc1 850533743 DZGZXXCMDYJIDR-MAZHCROVSA-N 310.388 3.218 10 10 DGCE CC[C@H](NCC(C)(C)C(=O)N1CCCC1)c1ccc(F)cc1O 858541095 RWOFXKJWFVQVFF-HNNXBMFYSA-N 322.424 3.221 10 10 DGCE CC1CCN(c2ccc(CNCc3cc4n(n3)CCC4)cc2)CC1 850128753 IORXRXZPSXRJEG-UHFFFAOYSA-N 324.472 3.355 10 10 DGCE C[C@@H](CNC(=O)N[C@@H](C)c1ccccc1O)Oc1ccccc1 868253054 LUMDVFCTQYHQPN-KBPBESRZSA-N 314.385 3.220 10 10 DGCE COc1cc(OC)cc(-c2nccn2Cc2ccccc2O)c1 82736993 ZQYTWJDXRCVDQP-UHFFFAOYSA-N 310.353 3.321 10 10 DGCE CC[C@@H]1CCCCN1Cc1ccc(N2CCCNCC2)cc1 84857330 GQNMLYBPAQRTKU-GOSISDBHSA-N 301.478 3.251 10 10 DGCE O=C(NCc1ccccc1O)c1cc(-c2ccccc2)ccn1 1137471232 BKWXNKIUCLTZSE-UHFFFAOYSA-N 304.349 3.384 10 10 DGCE CCOc1ccc(O)c(CNC[C@@H](CO)CC2CCCC2)c1 798503224 DAMFOKLUFFAJNL-HNNXBMFYSA-N 307.434 3.069 10 10 DGCE OCC[C@H]1CCCCCN1Cc1cc(Cl)cc(F)c1O 793609147 OSHOKYTVYVLGOR-CYBMUJFWSA-N 301.789 3.312 10 10 DGCE Cc1cccc(CN[C@H](C)C2CN(C(=O)OC(C)(C)C)C2)c1O 686282722 YCVPZWWCYQGJFG-CYBMUJFWSA-N 320.433 3.046 10 10 DGCE C[C@H](O)c1ccc(N2CCO[C@H](C(F)(F)F)C2)cc1Cl 698774641 RXKZYFONGRDXFB-UFBFGSQYSA-N 309.715 3.161 10 10 DGCE CC(=O)c1ccc(C(=O)NCc2cccc(Cl)c2O)c(F)c1 1305084021 FBRPSXSHBAGKSR-UHFFFAOYSA-N 321.735 3.317 10 10 DGCE CC[S@](C)(=O)=NCc1ccc(C)c(Br)c1O 1905180314 WUVGBNONQNGDKJ-INIZCTEOSA-N 306.225 3.081 10 10 DGCE CCNc1nc(CN[C@@H](C)c2cc(OC)ccc2O)cs1 1192780316 CROZYUPAECUEIB-JTQLQIEISA-N 307.419 3.140 10 10 DGCE CC[C@H](C)NC(=O)Cn1c2c(c3cc(OC)ccc31)CCCC2 1347886963 CXKODSWCFMJBEY-ZDUSSCGKSA-N 314.429 3.443 10 10 DGCE CN(C)c1ccc(CNC(=O)c2ccc3ccncc3c2)cc1 1348912652 YBSONJZTKXQKGB-UHFFFAOYSA-N 305.381 3.231 10 10 DGCE CCC(CC)C(=O)N(C)[C@@H](C)CNCc1ccc(OC)c(C)c1 1270895165 IJFIZDFJPFPDCU-HNNXBMFYSA-N 320.477 3.376 10 10 DGCE CCCNCc1ccc(N(C)CCOC)cc1C(F)(F)F 167367922 VWDGNBMRKCVJKF-UHFFFAOYSA-N 304.356 3.288 10 10 DGCE O=C1N=C(NCc2ccccc2)S/C1=C\c1ccc(O)cc1 264046 RHKRIBIRDXKLEM-GDNBJRDFSA-N 310.378 3.152 10 10 DGCE CN(Cc1ccccc1)C1CN(c2ccc(CN)cc2Cl)C1 1914187151 MXQBJSXVDVQAGU-UHFFFAOYSA-N 315.848 3.119 10 10 DGCE COc1ccc(N(Cc2ccccc2)[C@H](C)CCO)c(N)c1 1915088747 ONKSQFLDMFCXHG-CQSZACIVSA-N 300.402 3.055 10 10 DGCE CC[C@@H]1CCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])[C@@H]1C 1612278702 IBBGTLHUBKCFSP-JDQXGDOCSA-N 318.373 3.406 10 10 DGCE c1ccc([C@@H](Cn2cccn2)NCc2ccc3c(c2)CCO3)cc1 1474017613 WHACFSROMXFWQB-LJQANCHMSA-N 319.408 3.349 10 10 DGCE C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1cccc(O)c1O 1621177344 YFPBDGRJTPQCMU-QLJPJBMISA-N 315.344 3.290 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H](O)C23CCC3)cc1 1632933146 PEFSZLJHLHCCAE-QZTJIDSGSA-N 324.424 3.127 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)NCc1ccc(-c2ccccc2)o1 1596844131 FNCHWKMLOGMPEH-UHFFFAOYSA-N 323.348 3.217 10 10 DGCE COc1ccc(O)c(CNCc2nc3ccccc3s2)c1 19232900 LMOWIUDWJHAQIP-UHFFFAOYSA-N 300.383 3.300 10 10 DGCE CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)NCc1ccccc1O 1936096785 RHTAUNBSRXLZQT-XJKSGUPXSA-N 322.449 3.420 10 10 DGCE COC(=O)[C@@H](NCCN=[N+]=[N-])c1cc(Cl)ccc1Cl 234550170 RQLPAXHSPDDFAF-JTQLQIEISA-N 303.149 3.107 10 10 DGCE Cc1cc(CN2CCC(c3ncccn3)CC2)ccc1N(C)C 1139672829 HXAALPIYVJYMJE-UHFFFAOYSA-N 310.445 3.231 10 10 DGCE CNc1ncnc(N[C@@H](C)c2ccccc2O)c1Br 1877590161 QFWJNBNZGSPTJY-QMMMGPOBSA-N 323.194 3.160 10 10 DGCE CC(C)(C)OC(=O)Nc1ccc(CC(=O)NCCN=[N+]=[N-])cc1 1963808831 GNDLYVYIDYZIQG-UHFFFAOYSA-N 319.365 3.003 10 10 DGCE O=C(O)[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)C12CC2 1974101061 RQJZPGXFFZYJND-SNVBAGLBSA-N 316.184 3.138 10 10 DGCE CCCN[C@H](c1ccccc1O)[C@H]1C[C@H]1NC(=O)OC(C)(C)C 1975536656 NBTONFGUXZTRND-SQWLQELKSA-N 320.433 3.346 10 10 DGCE C[C@]1(NCc2c(O)cccc2F)CCN(Cc2ccccc2)C1 1976873405 MOUHBMFDQNXBEW-IBGZPJMESA-N 314.404 3.286 10 10 DGCE C[C@@H](C[C@@H](N)c1ccc(N(C)C)cc1)N(C)C(=O)OC(C)(C)C 1977944781 JPBPBEHGUYULRH-XJKSGUPXSA-N 321.465 3.398 10 10 DGCE C[C@H](NC[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C)c1ccc(F)cc1O 1978007315 BDCLGGHZWNWBRD-MJVIPROJSA-N 324.396 3.095 10 10 DGCE OCc1ccc(N2CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1 2003090245 QMMFGPGEGHMAFE-VQTJNVASSA-N 322.452 3.137 10 10 DGCE C[C@]12CC[C@@H]1CCN2c1ccc(CN)c(Br)c1F 2039542529 CMJWUYXYOFRLKH-YGRLFVJLSA-N 313.214 3.426 10 10 DGCE CC1(C)CN(c2ccc(CO)c(Br)c2)CC1(F)F 2040574033 OBVGYQCDNYCOBU-UHFFFAOYSA-N 320.177 3.423 10 10 DGCE O=C(O)[C@@]1(NC2CC2)CCC[C@@H](CSc2nccs2)C1 403872227 LNXDMLTYNSBSKU-QMTHXVAHSA-N 312.460 3.001 10 10 DGCE CSC1CCN(c2ccc(CN)cc2C(F)(F)F)CC1 312476512 VUJFACSUMDGKIY-UHFFFAOYSA-N 304.381 3.496 10 10 DGCE C[C@@H]1OCCN(c2ccc([C@@H](C)N)cc2Br)[C@@H]1C 380581818 XTMBSYLIJQODBX-MXWKQRLJSA-N 313.239 3.082 10 10 DGCE CCOC(=O)c1cc(C2CCC2)nn1Cc1cccc(F)c1O 2069938761 PIMXFUSGMFPILZ-UHFFFAOYSA-N 318.348 3.220 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2Cc1ncsc1Cl 2195983462 NJWDVPHGPKCIRQ-UHFFFAOYSA-N 309.822 3.262 10 10 DGCE O=C(c1ccc(Br)cn1)c1cccc2c1NCC2 2045559548 ZTCCDAOJIFRZNJ-UHFFFAOYSA-N 303.159 3.043 10 10 DGCE COc1ccc(Br)c(CN[C@H](C)CC2CC2)c1O 2220462722 QEEXDZZJSYIUAP-SECBINFHSA-N 314.223 3.442 10 10 DGCE C[C@@H]1C[C@@H](C[C@H](N)c2ccccc2O)CN1C(=O)OC(C)(C)C 2244087141 CPRHTRXKGIRJKZ-IPYPFGDCSA-N 320.433 3.428 10 10 DGCE Cc1cc(O)c([C@H](C)N2CCOC[C@@H]2C(F)F)cc1Cl 2286438407 FXORIVSOJFCKTQ-JOYOIKCWSA-N 305.752 3.381 10 10 DGCE CC(C)c1ccc(C=C2SC(=S)N(C[C@@H](C)O)C2=O)cc1 2323701320 CYAKJJQENCKUOB-LLVKDONJSA-N 321.467 3.392 10 10 DGCE CN(c1ccc(CN)cc1Br)[C@@H]1C[C@@H]2C[C@H]1[C@@H]1C[C@H]21 2330299671 MKPIZOQEQWIEHZ-SUNOKAMTSA-N 321.262 3.389 10 10 DGCE CC(C)n1ncc(Br)c1CN(C)c1ccc(N)cc1 2342191124 QAZUUSNSZQEZEL-UHFFFAOYSA-N 323.238 3.445 10 10 DGCE Cc1[nH]cnc1CSCCNC(=O)Nc1ccc(Cl)cc1 59346668 BXZNFNPWBAHDGK-UHFFFAOYSA-N 324.837 3.426 10 10 DGCE C[C@@H](CN(C)Cc1ccccc1)NCc1ccc2c(c1)CCO2 309701329 GFHAWDKFRFUWQF-INIZCTEOSA-N 310.441 3.232 10 10 DGCE Cc1cc(C(=O)N(C)CCn2cccn2)c(C)n1-c1ccccc1 111037931 DSFQJJKOCWBZLI-UHFFFAOYSA-N 322.412 3.063 10 10 DGCE COc1cccc([C@H]2CC(=O)CCN2C(=O)OC(C)(C)C)c1O 1952068056 MKCQKNITGIZTFT-CYBMUJFWSA-N 321.373 3.042 10 10 DGCE CC(=O)c1cc(F)cc(CN[C@H](C)c2nc(C)cs2)c1O 184218292 FMPHQFFURTZPMY-SECBINFHSA-N 308.378 3.350 10 10 DGCE O=C1c2ccccc2N[C@H](c2ccccc2O)N1C[C@@H]1CCCO1 70869163 FOJCLPBXRNXUDR-UGSOOPFHSA-N 324.380 3.138 10 10 DGCE CN(C)c1ccc(CNc2ccc(Cl)c(C(N)=O)c2)cc1 37045696 ODJHOWFANSFNAG-UHFFFAOYSA-N 303.793 3.117 10 10 DGCE CCCS(=O)(=O)c1ccc(NCc2ccc(N)cc2)cc1 37671030 AWLNPZWOQRXPFC-UHFFFAOYSA-N 304.415 3.065 10 10 DGCE Cc1cc(O)ccc1NS(=O)(=O)c1cccc2ncccc12 317819011 HMZCWDSMNOZVCL-UHFFFAOYSA-N 314.366 3.050 10 10 DGCE Oc1c(Cl)cccc1CNc1cccc2c1OCC[C@H]2O 185578544 PGMPBCUYJXBXIL-CQSZACIVSA-N 305.761 3.474 10 10 DGCE O=C(O)CCN(Cc1cc(Cl)cc(Cl)c1O)C1CC1 86736440 RQTKHNFJCTXHJV-UHFFFAOYSA-N 304.173 3.138 10 10 DGCE COc1ccc(CNC(C)C)cc1CSc1nccn1C 81841312 UQJUZRKMKXZHGL-UHFFFAOYSA-N 305.447 3.219 10 10 DGCE C[C@@H](NCCc1ccc2c(c1)OCO2)c1ccc(F)c(F)c1O 191187911 FBSPMXAFESMPOG-SNVBAGLBSA-N 321.323 3.292 10 10 DGCE Cc1ccc([C@H]2OCCC[C@H]2NC(=O)Cc2ccc(N)cc2)cc1 262628123 LWTCIWKOWQYBDG-UYAOXDASSA-N 324.424 3.156 10 10 DGCE CC[C@@H](NCc1cc(Cl)cc(C)c1O)[C@@H](O)C(F)(F)F 271789620 GGSSXPIMNILWOS-ZYHUDNBSSA-N 311.731 3.145 10 10 DGCE C/C=C\CNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC 629042306 IKFFFQFURZNQOT-WAYWQWQTSA-N 300.402 3.210 10 10 DGCE Cc1cc(Cl)cc(CN2CCC[C@@H]3CN(C)CC[C@H]32)c1O 809767953 YXBTYOWFAHCKMS-CZUORRHYSA-N 308.853 3.270 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)/C=C/[C@H]1CCCO1 819524490 MNQLSUPYUFAWFP-SIFUEBAJSA-N 303.402 3.256 10 10 DGCE C[C@H](F)CCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 815148796 KOMXINJXMKJVRA-ZDUSSCGKSA-N 309.385 3.423 10 10 DGCE CCN(CC(=O)OC)Cc1c(O)ccc2oc3c(c12)CCCC3 728708980 LLQMKEAOKDPDJP-UHFFFAOYSA-N 317.385 3.012 10 10 DGCE COc1ccc(C(=O)Nc2cccc(N(C)C)c2)c(OC)c1 586735164 IGTYEHWWBHRKOT-UHFFFAOYSA-N 300.358 3.022 10 10 DGCE C[C@@H](CO)N(C/C=C\c1ccc(N(C)C)cc1)CC1CCC1 835049528 JNGKWIMMZCHXST-SBSDFTTDSA-N 302.462 3.249 10 10 DGCE CCc1ccncc1NCc1ccc(N2CCN(C)CC2)cc1 844708350 ZVNJTAXVHDLNKO-UHFFFAOYSA-N 310.445 3.008 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@@H]2CCCN3CCCC[C@@H]23)cc1 848574129 AAJHLSQTOZKVGQ-RSECOTNCSA-N 313.489 3.372 10 10 DGCE Cc1ccc(O[C@H]2CCN(Cc3cc(C)c(C)cc3O)C2)nc1 858013300 REDBXYDLQQGIRB-KRWDZBQOSA-N 312.413 3.366 10 10 DGCE O=C(NCCCSc1nccs1)N1CC(CC2CC2)C1 856877934 IYDIKIUXCYZVAP-UHFFFAOYSA-N 311.476 3.067 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CC3CCC2CC3)c1 769189161 SZZCQVSLBBOIRF-OCLKLICZSA-N 318.417 3.340 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H]1CC12CC2 862036194 RBRXTUMOGCOXFC-QGZVFWFLSA-N 308.381 3.189 10 10 DGCE Nc1ccccc1N[C@H]1CC[C@@H]1NC(=O)OCc1ccccc1 1954638715 OLHDTTDVNKFQGM-IRXDYDNUSA-N 311.385 3.138 10 10 DGCE COc1ccc(C(C)(C)C(=O)N2Cc3cccc(O)c3C2)cc1 871202794 GHLYHMMTVCISOV-UHFFFAOYSA-N 311.381 3.221 10 10 DGCE Oc1c(F)cc(Cl)cc1CN1CCC[C@H]([C@H]2CCOC2)C1 775740317 UOZUCRCNKUMEIE-RYUDHWBXSA-N 313.800 3.433 10 10 DGCE COc1cccc2c1CCN(Cc1cc3c(cc1O)CCC3)C2 782290611 HVUURDPDOLQJAP-UHFFFAOYSA-N 309.409 3.448 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1CC(C)(C)CO1 1136428595 FGMNNIAFYZNSBN-KRWDZBQOSA-N 318.461 3.306 10 10 DGCE Cc1cnc([C@@H](C)NCc2c(O)cccc2Br)o1 706821458 HFDBMVINOIILLL-SECBINFHSA-N 311.179 3.302 10 10 DGCE C[C@H](O)c1ccc(N2CCO[C@@](C)(C(F)F)C2)c(Cl)c1 698735553 LSTXQDKLSDYPOO-LKFCYVNXSA-N 305.752 3.254 10 10 DGCE CC(C)[C@H](C(=O)O)N(C)Cc1cc(Cl)cc(Cl)c1O 2118368858 ZUIMEBNCBIDZBK-LLVKDONJSA-N 306.189 3.240 10 10 DGCE COc1cccc(CNC(=O)c2cc(F)cc3ccoc23)c1O 1445972592 ZEWYBPGARJPYGW-UHFFFAOYSA-N 315.300 3.216 10 10 DGCE Cc1cc(-c2ncco2)ccc1NC(=O)Cc1ccc(O)c(O)c1 1298473777 CUJPTZSZARJBJT-UHFFFAOYSA-N 324.336 3.242 10 10 DGCE CC/C(C)=C\C(=O)N(C)[C@@H](C)CNCc1ccc(OC)c(C)c1 1715336296 SAXWYZRIYYVAMO-DNXIFWLFSA-N 318.461 3.296 10 10 DGCE C[C@H](NC(=O)c1ccc(-n2ccnc2)cc1)c1ccccc1O 1557968261 WHXKANLCIIZCQH-ZDUSSCGKSA-N 307.353 3.069 10 10 DGCE C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(Cl)s1 1624211716 TZLHJHWHQLBPKD-QMMMGPOBSA-N 311.790 3.233 10 10 DGCE CC1(C)C[C@]1(C(=O)NCc1c(O)cccc1O)c1ccccc1 1639292504 GFBLCESJGRFYEM-LJQANCHMSA-N 311.381 3.082 10 10 DGCE CN(CCNCc1ccc(Cl)cc1O)C(=O)OC(C)(C)C 1928566671 XIGOLZMOADHPKJ-UHFFFAOYSA-N 314.813 3.002 10 10 DGCE Oc1ccc(O)c(CNc2nccc(Oc3ccccc3)n2)c1 1655814661 CNGAAXUXCJUXRG-UHFFFAOYSA-N 309.325 3.292 10 10 DGCE CC(=O)c1cc(NC(=O)N2Cc3cccc(O)c3C2)ccc1F 1677406409 NRGZTXHTVWFSPK-UHFFFAOYSA-N 314.316 3.282 10 10 DGCE O=C(O)CC[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)C1 134704309 KRSJBYRMDRFDRE-VIFPVBQESA-N 318.200 3.386 10 10 DGCE Cc1cccc(CNC(=O)c2snc(Cl)c2Cl)c1O 2139763578 HPTJCGFBHUDRSH-UHFFFAOYSA-N 317.197 3.394 10 10 DGCE C[C@H](O)c1ccc(N2CCC(=CBr)C2)c(F)c1 2004779554 MHKDTYZEVOMDMM-VIFPVBQESA-N 300.171 3.368 10 10 DGCE CN(Cc1cnsc1)c1ccc(CN)c(C(F)(F)F)c1 2150300604 DXUJZYDBVUUJHE-UHFFFAOYSA-N 301.337 3.257 10 10 DGCE C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CCN1c1ccc(N)cc1 1977967988 LZCOLMVJTFFNIU-ZIAGYGMSSA-N 319.449 3.398 10 10 DGCE CC(C)(C)OC(=O)N1CC([C@@H]2CCN(CCCCN=[N+]=[N-])C2)C1 1982247082 CVZGNPQGSBSWIE-CYBMUJFWSA-N 323.441 3.266 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](C2CN(CCCCN=[N+]=[N-])C2)C1 1991231284 YTKJAVKBMGTPLG-ZDUSSCGKSA-N 323.441 3.266 10 10 DGCE CC(C)(C)OC(=O)N1CC2(C1)CC(C)(Oc1ccc(N)cc1)C2 1992460695 OJOBRTVKTKMBOS-UHFFFAOYSA-N 318.417 3.437 10 10 DGCE C[C@@H]1CN(Cc2ccccc2)CC[C@]1(N)c1ccc(N(C)C)cc1 1999510964 ZKTRGQDFIUVIMG-DYESRHJHSA-N 323.484 3.449 10 10 DGCE CCN[C@H](c1ccccc1O)c1ncccc1Br 2029558243 IUJGLGDJNADSGI-CYBMUJFWSA-N 307.191 3.249 10 10 DGCE OCc1ccc(N2CCC[C@H](C(F)F)C2)c(Br)c1 2032461639 XQBPHPXSTAQTTO-JTQLQIEISA-N 320.177 3.423 10 10 DGCE Oc1c(Br)cccc1CN1C[C@H]2C[C@H]1C(F)(F)C2 2038340054 SZWYMHUIJZDMEU-KWQFWETISA-N 318.161 3.384 10 10 DGCE C[C@H](N)c1ccc(N2CC[S@](=O)C(C)(C)CC2)c(Cl)c1 321614980 HJOWDORGGGJUPS-YBTHPKLGSA-N 314.882 3.097 10 10 DGCE COc1cc(Cl)cc(CNCc2ccncc2Cl)c1O 704401656 PXPFSSNJVMACNH-UHFFFAOYSA-N 313.184 3.392 10 10 DGCE COc1ccc(O)c([C@@H](C)n2nc(C3CCC3)cc2C(=O)O)c1 2069859166 KQEYBTFWKVALBV-SNVBAGLBSA-N 316.357 3.172 10 10 DGCE CCOC(=O)c1cc(C2CCC2)nn1Cc1cc(F)ccc1O 2069938560 LVXZFLZQVHLFRV-UHFFFAOYSA-N 318.348 3.220 10 10 DGCE COc1ccc(O)c([C@@H](C)n2nc(-c3ccccc3)cc2N)c1 2070175883 YOUUYDBMUGLIDW-GFCCVEGCSA-N 309.369 3.456 10 10 DGCE CC[C@@H](c1ccc(C)cc1O)n1nc(C(C)C)c(C(=O)O)c1N 2079140046 FYZVUQRETQKSBH-LBPRGKRZSA-N 317.389 3.300 10 10 DGCE C[C@H](N)c1ccc(N2CC[C@@H](c3nncs3)C2)cc1Cl 2196550237 ZUJMTRVUIZPMQA-VHSXEESVSA-N 308.838 3.205 10 10 DGCE Cc1cc(N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)ccc1CN 1909109816 VQUBXRRSWCUHRI-PZJWPPBQSA-N 321.468 3.164 10 10 DGCE CNCc1ccc(N2CCC(F)(F)[C@@H]2C)cc1Br 2052000118 FKQHLTUJSROTJU-VIFPVBQESA-N 319.193 3.402 10 10 DGCE Nc1ccc(CC[C@H](O)c2ccncc2Br)cc1 2080158240 CLJZDTPLEYLNCH-AWEZNQCLSA-N 307.191 3.093 10 10 DGCE COc1ccc(Br)c(CN[C@@H]2C[C@H]2C2CC2)c1O 2220461709 AAROEAKUYKQACB-JOYOIKCWSA-N 312.207 3.051 10 10 DGCE OCc1ccc(N2C[C@H]3[C@@H](C[C@H]3C(F)(F)F)C2)cc1Cl 2281134931 WBHWPMHGUGEZPU-ZMLRMANQSA-N 305.727 3.467 10 10 DGCE CCN(CCc1ccccc1)C(=O)C=Cc1ccc(O)c(O)c1 2307986178 DNEKITPPFJRGHM-UHFFFAOYSA-N 311.381 3.202 10 10 DGCE Cc1ccc(CNC(=O)C2(C3CC3)CC2)c(O)c1Br 2352639039 UHVBJMUMNMDKLD-UHFFFAOYSA-N 324.218 3.270 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)N1C[C@@H](C)O[C@H](C)C1 54056247 BYSIXLMBFKLPCL-ZIAGYGMSSA-N 318.442 3.405 10 10 DGCE CSc1ncc(CN[C@@H](C)[C@@H]2C[C@H](C(=O)O)C2(C)C)s1 2359413124 FVLUMTXWIFJYLQ-INTQDDNPSA-N 314.476 3.090 10 10 DGCE Cc1ccc([C@@H](C)N[C@@H]2CCN(c3ccccc3)C2=O)c(O)c1 185813029 PCDJLYRPXNXEBR-RHSMWYFYSA-N 310.397 3.157 10 10 DGCE CCOCCCNC(=O)c1cc(C)n(-c2ccccc2F)c1C 42658145 ABVTXWBAINRAMT-UHFFFAOYSA-N 318.392 3.390 10 10 DGCE CC[C@]1(C)C[C@H]1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 246096047 LRSXDKMQYIBYHE-JTDSTZFVSA-N 317.429 3.336 10 10 DGCE COc1ccc(CN2C[C@@H](C)OC[C@@H]2c2ccccc2)c(O)c1 245803181 YCVIYPXRRZABEJ-RDTXWAMCSA-N 313.397 3.363 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)N1CC2C[C@H]3CC1C[C@@H](C2)C3 272500650 SPXPVWXPAYSGDL-TVAHPQMFSA-N 313.397 3.148 10 10 DGCE C[C@@H](Cc1ccco1)C(=O)NCc1ccc2c(c1)CCCN2C 824676262 HZJJVCNMIPZGTI-AWEZNQCLSA-N 312.413 3.157 10 10 DGCE Cn1cc(C[C@H]2CCC[C@@H]2NCc2cccc(Cl)c2O)cn1 827322055 STIHDXIJTCFBJL-CJNGLKHVSA-N 319.836 3.280 10 10 DGCE CN(C)c1ccc(/C=C/CNC[C@H]2CSCCS2)cc1 835041738 DQSVCWATWVEADU-CWDCEQMOSA-N 308.516 3.204 10 10 DGCE C[C@H](NC(=O)[C@@H]1CCOC2(CCCC2)C1)c1ccccc1O 913763381 FDKGKCRZPAFVPU-UONOGXRCSA-N 303.402 3.309 10 10 DGCE C[C@@]1(c2cccc(F)c2)CCN(C(=O)c2cc(O)cs2)C1 846660369 VLVUDKJOFRNSOR-MRXNPFEDSA-N 305.374 3.397 10 10 DGCE COc1cccc([C@@H](C)NCCCc2nc(C(C)C)no2)c1O 846146398 QNXPJNIDOGBGBD-GFCCVEGCSA-N 319.405 3.191 10 10 DGCE CCOC[C@H]1CCCN1Cc1cc(Br)ccc1O 696573997 KWRHGPNIDVMACF-CYBMUJFWSA-N 314.223 3.156 10 10 DGCE O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CCCC1CC1 761365077 VSLJQYUKRWNXNR-UHFFFAOYSA-N 322.792 3.000 10 10 DGCE FC1(F)[C@@H]2CC[C@H](NCc3ccc(N4CCOCC4)cc3)C[C@H]21 1118564510 CNFZHQFKPFPTST-USXIJHARSA-N 322.399 3.047 10 10 DGCE C/C(=C\C(=O)N1C[C@@H](C)Cc2cccc(F)c21)c1cnccn1 876417826 QCNGNXRJNYEVNH-OQZOHAQUSA-N 311.360 3.244 10 10 DGCE Cc1cccnc1/C=C/C(=O)N[C@H](C)c1ccc(N(C)C)cc1 775404302 MOAMTPVXLRVSOA-AYJWMTRPSA-N 309.413 3.347 10 10 DGCE CSCCCCNC(=O)c1cc2cc(O)c(O)cc2s1 896452746 OTIVZVIQENSVLC-UHFFFAOYSA-N 311.428 3.186 10 10 DGCE CCC[C@H](CC)C(=O)N(C)CCN(C)c1ccc(OC)cc1 1130547796 PWYSJYAXLWNWSZ-HNNXBMFYSA-N 306.450 3.416 10 10 DGCE Cc1cc(CN)ccc1N(C)Cc1cncc(Br)c1 703094967 NHOFVFCOCDUWDF-UHFFFAOYSA-N 320.234 3.248 10 10 DGCE Cc1ccc(C(=O)N2CC[C@@H]2c2ccc(F)cc2)c(O)c1O 1146530757 UBAMZQIRAXDPKM-CQSZACIVSA-N 301.317 3.133 10 10 DGCE COC[C@@H]1CCCN1c1ccc([C@@H](C)O)cc1Br 696592842 FNCOFKGGSSDGGR-PWSUYJOCSA-N 314.223 3.118 10 10 DGCE CN[C@H](C)c1ccc(N(C)Cc2nnc(C)s2)cc1Cl 697818836 LFDLINVOKLQCBR-SECBINFHSA-N 310.854 3.417 10 10 DGCE COc1cc2c(c(OC)c1)N(Cc1ccnc(F)c1)CCC2 1329824068 DKAFLGKNNMFVKL-UHFFFAOYSA-N 302.349 3.191 10 10 DGCE CC(=O)CCN(C)C(=O)Cc1cc(C)n(-c2ccccc2)c1C 1328653294 QJPSCLBNAWJEFX-UHFFFAOYSA-N 312.413 3.074 10 10 DGCE CO[C@H]1CCN(c2ccc([C@H](C)O)cc2Br)[C@H]1C 1914236547 OFCPQNBKTFXZLK-BHDSKKPTSA-N 314.223 3.116 10 10 DGCE [N-]=[N+]=N[C@H]1CCN(C(=O)c2ccc(CSC(F)F)o2)C1 1912169702 NUHFFGKLDSBQDD-ZETCQYMHSA-N 302.306 3.260 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(Cc2cnc(Br)s2)C1 1912201822 ZLVXEYAIFMPADE-SSDOTTSWSA-N 302.201 3.180 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)C(=O)c1ccc(Cl)cc1 1452948433 XOZORZIAEWNPJL-UHFFFAOYSA-N 324.163 3.198 10 10 DGCE O=C(c1ccc2ccccc2c1O)N1Cc2cccc(O)c2C1 1558035826 MWRMPPHTGAEVNZ-UHFFFAOYSA-N 305.333 3.407 10 10 DGCE COc1ccc(CNC(=O)c2sccc2C(F)F)c(O)c1 1633927487 XAYBNEUVUBCZPZ-UHFFFAOYSA-N 313.325 3.330 10 10 DGCE COc1ccc(C(F)(F)C(=O)N[C@H](C)c2ccccc2O)cc1 1635794183 ZFDJHJLRXOFOPL-LLVKDONJSA-N 321.323 3.370 10 10 DGCE O=C(Nc1ccc(F)cc1OC(F)F)c1cc(O)cs1 1566105014 QRJYRAMGSDRTKE-UHFFFAOYSA-N 303.261 3.447 10 10 DGCE Cc1cc(CN2C[C@@H](C)[C@@](C)(CO)C2)ccc1N1CCCCC1 1647806504 IFPJHZUGZKIGJK-YLJYHZDGSA-N 316.489 3.436 10 10 DGCE C[C@]1(C2CCCCC2)CCN1C(=O)Cc1ccc(O)c(O)c1 1643357587 IDCPAVKKMMPLCG-GOSISDBHSA-N 303.402 3.212 10 10 DGCE Cc1ccccc1OCC(=O)NCc1cc(Cl)ccc1O 1640920917 XOQLXNMDRISZEX-UHFFFAOYSA-N 305.761 3.049 10 10 DGCE O=C(NCc1c(O)cccc1F)[C@H]1C[C@@]1(F)c1ccccc1 1652298715 OLLHHNXSZJTJSD-CXAGYDPISA-N 303.308 3.032 10 10 DGCE CC/C=C(\C)C(=O)NC/C=C/CNCc1ccc(OC)c(C)c1 1668731770 LPKDKTAEECZWBW-FTLCMBAGSA-N 316.445 3.122 10 10 DGCE CNC(=O)c1cccc2c1N[C@H](c1cccnc1)[C@@H]1CC=C[C@H]21 14547552 BQTHGZRZHNLOQC-JJRVBVJISA-N 305.381 3.268 10 10 DGCE Nc1ccc(NC(=O)c2c[nH]c3c(Cl)cccc3c2=O)cc1 1866072586 JXCJWCCPMZYLGT-UHFFFAOYSA-N 313.744 3.016 10 10 DGCE C[C@@H](NCc1nccn1Cc1ccccc1)c1cc(O)ccc1O 1942379885 GOGXMSYJGRBOTE-CQSZACIVSA-N 323.396 3.193 10 10 DGCE OCc1ccc(N2CCS[C@@H]3CC[C@H]32)cc1Br 1946792179 RAWYGCAIPXATMC-CHWSQXEVSA-N 314.248 3.026 10 10 DGCE CN(Cc1ccccc1)[C@@H]1CCN(CCCc2ccc(N)cc2)C1 1946760388 OFUCBKAHAJMAAQ-OAQYLSRUSA-N 323.484 3.408 10 10 DGCE C[C@@H](O)CN(Cc1ccccc1)c1ccc(CO)c(C2CC2)c1 1901155760 FIKCOQKJBFFUFD-OAHLLOKOSA-N 311.425 3.444 10 10 DGCE CC(C)(C)OC(=O)N(CCNCc1ccc(F)cc1O)C1CC1 1964553432 OUTFHASQBCYDJP-UHFFFAOYSA-N 324.396 3.020 10 10 DGCE COc1ccc(C[C@@H](CN=[N+]=[N-])NC(=O)OC(C)(C)C)cc1 1951351197 VEJYIMMCPDWFTI-LBPRGKRZSA-N 306.366 3.441 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1C[C@@H]2CCCCN2C1 1969658377 ANPRPIXYTHZWFB-OLZOCXBDSA-N 315.244 3.415 10 10 DGCE Cc1cccc(O)c1[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1CC1 1976872470 GIBUKJMEESUIHO-AWEZNQCLSA-N 321.373 3.226 10 10 DGCE Nc1ccc(NCc2ccc(NC(=O)C(F)(F)F)cc2)cc1 1977684755 QEXSVCLUUVGFBE-UHFFFAOYSA-N 309.291 3.382 10 10 DGCE CS[C@H]1C[C@@H](CNCc2cc(Br)ccc2O)C1 2016152218 RHLAOLVURJXKQO-WVSHTKLVSA-N 316.264 3.386 10 10 DGCE Oc1ccc(F)cc1CN[C@@H]1CCCN(Cc2ccccc2)C1 378936266 FGVHWJCYMDILCJ-GOSISDBHSA-N 314.404 3.286 10 10 DGCE Cc1csc(CCN(C)c2cc(Cl)c(CN)cc2F)n1 2177381779 QRXPBFGROYSBEV-UHFFFAOYSA-N 313.829 3.382 10 10 DGCE CSc1cnn(Cc2cc(C(F)(F)F)ccc2O)c1O 2070281068 NIAJMANVUBYVMZ-UHFFFAOYSA-N 304.293 3.083 10 10 DGCE Oc1c(Cl)cccc1CN1[C@H]2CC[C@H]1c1cncnc1C2 1658761771 QQXABJPQAPBLQZ-NHYWBVRUSA-N 301.777 3.097 10 10 DGCE Cc1cc(N(C)[C@H]2CS[C@H](C(F)(F)F)C2)ccc1CO 2189472694 FGWHJTRZVCOMOD-OLZOCXBDSA-N 305.365 3.360 10 10 DGCE CN1CCc2cc([C@H](N)c3ccoc3Br)ccc21 2044748571 TURAJJQHJFNPRT-ZDUSSCGKSA-N 307.191 3.083 10 10 DGCE NCc1ccc(N2C[C@@H]3CC=CC[C@@H]32)c(F)c1Br 2057021615 HFHFATVYNUAZCL-QWRGUYRKSA-N 311.198 3.202 10 10 DGCE CO[C@H]1CC[C@@H](N(C)Cc2ccc(Br)cc2O)C1 2067114468 NIELFYBGDNIJEB-OLZOCXBDSA-N 314.223 3.154 10 10 DGCE C[C@@H](N)c1cc(F)c(N2CC=C(Br)CC2)c(F)c1 2074223879 LZNXIHVJXBHCJF-MRVPVSSYSA-N 317.177 3.473 10 10 DGCE C[C@@H]1CC[C@H](CN(C)Cc2cc(Br)ccc2O)O1 2075379707 BTTBUXCGQZJJHO-ZWNOBZJWSA-N 314.223 3.154 10 10 DGCE C[C@]12CCO[C@@H]1[C@H](NCc1cc(Cl)cc(Cl)c1O)C2 2097847231 PGAHJBSEVYHINH-MRVWCRGKSA-N 302.201 3.356 10 10 DGCE CCNCc1ccc(N(C)C[C@@]2(F)CCOC2)cc1Cl 2238288524 VWOKQFQOWFYBFL-HNNXBMFYSA-N 300.805 3.014 10 10 DGCE CSc1ncc(CNC(=O)c2cc3ccccc3[nH]2)s1 2284726495 SBLXDHOFLPMBBV-UHFFFAOYSA-N 303.412 3.276 10 10 DGCE N=C(NO)c1cnc(SC[C@@H]2CCCCC2(F)F)s1 2278779616 LWQSREJCRGAPET-ZETCQYMHSA-N 307.391 3.365 10 10 DGCE CNCc1ccc(N2CCc3nc(C)sc3C2)c(Cl)c1 2287203750 WWLYJVUQCPZAFI-UHFFFAOYSA-N 307.850 3.387 10 10 DGCE Cn1ccc(C=C2SC(=S)N(c3ccccc3)C2=O)c1 2296883057 LWUABUYHTIGYBT-UHFFFAOYSA-N 300.408 3.431 10 10 DGCE COCc1ccc(CNCc2cnc(SC)s2)s1 2319463161 DCJWQLOEADVQJE-UHFFFAOYSA-N 300.474 3.363 10 10 DGCE CC(=O)[C@]1(C)CCN1Cc1ccc(C)c(Br)c1O 2327542126 KSZNSDIQEDXAND-AWEZNQCLSA-N 312.207 3.017 10 10 DGCE CCCC1=NN(CC(C)C)C(=O)C1=Cc1ccccc1C(=O)O 2332131772 DHLSCUKVAOYNNI-UHFFFAOYSA-N 314.385 3.423 10 10 DGCE CCCCN(CCO)c1c(F)cc(CNC(C)C)cc1F 62712624 TZOMBZJNJBJJDO-UHFFFAOYSA-N 300.393 3.062 10 10 DGCE COC(=O)c1cccc(C(C)(C)N=NC(=O)OC(C)(C)C)n1 309608799 KNNYFVSBUMHEIH-UHFFFAOYSA-N 307.350 3.491 10 10 DGCE CN[C@@H](C)c1ccc(N2CCCN3CCC[C@@H]3C2)c(Cl)c1 62941069 INFVBSNYNZQJOX-DZGCQCFKSA-N 307.869 3.295 10 10 DGCE CN[C@H](C)c1ccc(N(C)[C@H](C)COC)cc1Br 300512572 AIALEUCIHSIKMI-GHMZBOCLSA-N 315.255 3.201 10 10 DGCE Cc1cnn(CCN[C@H](C)c2cc(Br)ccc2O)c1 185842484 VEGNUEUASPDQPL-LLVKDONJSA-N 324.222 3.010 10 10 DGCE C[C@H](NCc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1O 187768110 ZOHHIIKYYYGZKK-VIFPVBQESA-N 308.284 3.429 10 10 DGCE COc1ccccc1[C@H](O)CN[C@@H](C)c1ccc(C)cc1O 185098190 XTLAVOMWXHCVOX-SUMWQHHRSA-N 301.386 3.093 10 10 DGCE COc1cccc(CN2C[C@H](c3ccccc3)OC[C@@H]2C)c1O 130658254 FHLVTSATJNTXCJ-KBXCAEBGSA-N 313.397 3.363 10 10 DGCE COCCN(Cc1ccccc1)c1ccc(OC)c(OC)c1 83212136 RRGBPYHDAHOEET-UHFFFAOYSA-N 301.386 3.357 10 10 DGCE Cc1cc(C(=O)N[C@H]2CCCC[C@H]2O)c(C)n1-c1ccccc1 130704880 UZLZQWJWHXRBPS-ZWKOTPCHSA-N 312.413 3.127 10 10 DGCE C[C@H]1CN(c2ccc([C@H](C)N)cc2Br)CCS1 137198051 NWPAOEWEOHHLND-UWVGGRQHSA-N 315.280 3.411 10 10 DGCE CCOC(=O)[C@](C)(NCCN=[N+]=[N-])c1ccc(F)c(Cl)c1 90257293 XTLVYADNFDOFRD-CYBMUJFWSA-N 314.748 3.157 10 10 DGCE COc1ccc2c(c1)N[C@@](C)(C(C)C)CN2[C@H](C(=O)O)C(C)C 606610964 RFSGZZSYSVOQAT-FUHWJXTLSA-N 320.433 3.451 10 10 DGCE CCc1nc([C@H]2CCCCN2Cc2cc(C)ccc2O)no1 362095206 BLWTYGMOEOCFHE-CQSZACIVSA-N 301.390 3.373 10 10 DGCE CCc1csc(S[C@H](C)C(=O)Nc2ccc(N)cc2)n1 382927248 DTLAPVGKGVQLMZ-SECBINFHSA-N 307.444 3.407 10 10 DGCE COc1ccc(N2CC[C@H](CNC(=O)[C@@H](C)CC(C)C)C2)cc1 819589006 PTHQSSBJDWHDAS-JKSUJKDBSA-N 318.461 3.320 10 10 DGCE O=[N+]([O-])c1c[nH]ccc1=NCc1ccc(N2CCCCC2)cc1 727431527 RAVFFQRCNKJRNY-UHFFFAOYSA-N 312.373 3.014 10 10 DGCE CC[C@@H]1CC[C@H](C)N(Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 825207357 JBOCISPBTHIRPX-NWDGAFQWSA-N 308.378 3.320 10 10 DGCE OC1CCN(c2ccc(CNC3C[C@H]4CCC[C@@H]4C3)cc2)CC1 903056921 VJUCKWLXOIFPPB-IAGOWNOFSA-N 314.473 3.316 10 10 DGCE Cc1cc(C(=O)OCC(=O)C2CC2)c(C)n1-c1ccc(F)cc1 731692280 XGANFSBYTXIERW-UHFFFAOYSA-N 315.344 3.369 10 10 DGCE CCN(CC)c1ccc(CNC(=O)N2CC[C@H]2C2CC2)cc1F 838392578 WCAKHOQAIXCFIW-INIZCTEOSA-N 319.424 3.366 10 10 DGCE C[C@@H](N[C@@H]1CCn2ccnc21)c1cccc(C(F)(F)F)c1O 834831536 JUXLDMKATUXMNN-BXKDBHETSA-N 311.307 3.403 10 10 DGCE C[C@@H](C(=O)NC(C)(C)C)N(C)C/C=C/c1ccc(N(C)C)cc1 835045882 LGXUNBZVHPIBMB-HVHJFMEUSA-N 317.477 3.001 10 10 DGCE COc1cccc(F)c1[C@H](C)NC(=O)NCc1ccccc1O 743658870 BHKWPNMRQWJUBA-NSHDSACASA-N 318.348 3.100 10 10 DGCE Cc1noc([C@@H](C)N(C)C/C=C\c2ccc(N(C)C)cc2)n1 848925769 JXURBNKEHPKTGL-FMFIFOJESA-N 300.406 3.150 10 10 DGCE Cc1cc(CN2CCC(CCC(=O)O)CC2)ccc1N(C)C 846225967 SFDPNDLFQGXUKW-UHFFFAOYSA-N 304.434 3.138 10 10 DGCE NC[C@@H]1c2ccccc2CCN1Cc1cc(Cl)ccc1O 843129450 OUCLSTSNGCRMPN-MRXNPFEDSA-N 302.805 3.104 10 10 DGCE C[C@H](N[C@H]1C[C@@H](O)c2ccccc21)c1cc(F)cc(F)c1O 850529134 PJHSBVYEFXXIGC-BNGAFQBXSA-N 305.324 3.499 10 10 DGCE C[C@H](NCC1(O)CCC(F)(F)CC1)c1ccc(N(C)C)cc1 850565752 GQMGUGITGSOZKQ-ZDUSSCGKSA-N 312.404 3.344 10 10 DGCE CCOc1ccc(CN2CCC(C3CCOCC3)CC2)c(O)c1 769504707 YFZWTXPZCNISDE-UHFFFAOYSA-N 319.445 3.430 10 10 DGCE CC[C@@H](C[C@H](C)O)NCc1cc(OC)cc(C(C)(C)C)c1O 865876039 HPPUVIRSKRMTMJ-JSGCOSHPSA-N 309.450 3.337 10 10 DGCE C[C@@H](NCCOC(F)(F)C(F)(F)F)c1ccc(F)cc1O 872110089 CMHIUNHRNGDTND-SSDOTTSWSA-N 317.229 3.354 10 10 DGCE Oc1ccc(Cl)cc1CNCCc1nc2ccccc2[nH]1 76272603 IFPHZKRNVAXQGP-UHFFFAOYSA-N 301.777 3.254 10 10 DGCE O=[N+]([O-])c1ccc(Cc2nccn2Cc2ccccc2O)cc1 82736267 HTOICHQYYJJRJA-UHFFFAOYSA-N 309.325 3.136 10 10 DGCE CC(C)(C)NCc1cc(F)c(N2CCSCC2)c(F)c1 62734944 RZFBUWZNKISTEA-UHFFFAOYSA-N 300.418 3.406 10 10 DGCE COCCNCc1ccc(N(C)CC(C)(F)F)cc1Cl 692817731 KLAUBRFZJIGVCO-UHFFFAOYSA-N 306.784 3.167 10 10 DGCE C[C@H](O)c1ccc(N2CCO[C@@H](C(F)(F)F)C2)c(Cl)c1 698772531 MLEPPHNBDKSDKU-QPUJVOFHSA-N 309.715 3.161 10 10 DGCE CC(C)(C)O[C@@H]1C[C@H]1C(=O)NCc1c(O)ccc2ccccc12 1304090902 SMEKOEWBSYHYPQ-RHSMWYFYSA-N 313.397 3.365 10 10 DGCE CCN(CCN=[N+]=[N-])C(=O)c1occc1NC(=O)OC(C)(C)C 1900609240 LKPUSKWIANHSQC-UHFFFAOYSA-N 323.353 3.399 10 10 DGCE CN(CCN=[N+]=[N-])C(=O)CCSc1ccc(F)c(F)c1 1912160578 YBGFESLPLXZHTK-UHFFFAOYSA-N 300.334 3.216 10 10 DGCE [N-]=[N+]=N[C@@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2O)C1 1912150717 XPFQFXVWKOXVCP-SSDOTTSWSA-N 301.133 3.224 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1(C)C(C)(C)C1(C)C 1447566388 WWHFUDIYXYXTSL-NSHDSACASA-N 305.418 3.217 10 10 DGCE COc1ccc(N(Cc2ccccc2)[C@H](CO)C2CC2)c(N)c1 1915159444 OGHPGDYIKQCNMB-LJQANCHMSA-N 312.413 3.055 10 10 DGCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC/C=C/Cl)c1 1456887764 OOCBMHLSGJKWLG-QPJJXVBHSA-N 316.788 3.389 10 10 DGCE Cc1ccc(C(=O)NCc2ccc(O)c(O)c2)c2ccccc12 1465953661 HZRXTFDFHKUOKC-UHFFFAOYSA-N 307.349 3.489 10 10 DGCE Cc1cc(C)nc(CNCc2cccc(Br)c2O)c1 2136999259 MHRXFFNTWZIQLG-UHFFFAOYSA-N 321.218 3.456 10 10 DGCE COc1ccc(C(=O)NCc2cccc(Cl)c2O)c(C)c1 1558757077 NYDCGDWGFMWKIA-UHFFFAOYSA-N 305.761 3.293 10 10 DGCE C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccsc1 1634016937 LUTRBJPSTCCNSU-SECBINFHSA-N 302.359 3.402 10 10 DGCE COc1ccc(CNCCC[C@@H](C)NC(=O)C(C)C)cc1C 1734224191 BFEWHWOHNUNJRT-OAHLLOKOSA-N 306.450 3.034 10 10 DGCE COc1ccc2ccc(O)c(CN3C[C@@H](C)O[C@H](C)C3)c2c1 16075998 UDKJLTDJDPJWGG-CHWSQXEVSA-N 301.386 3.163 10 10 DGCE CCCOc1ccc(CN2CCO[C@H]3CCCC[C@@H]32)c(O)c1 156001619 YOQVHHIJAYMYOZ-WMZOPIPTSA-N 305.418 3.324 10 10 DGCE Cc1c(CN[C@H](C)c2ccccc2O)c(Br)nn1C 1877586268 PXZFAZMKQLAGLB-SECBINFHSA-N 324.222 3.047 10 10 DGCE CN(CCN=[N+]=[N-])[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C 1962306066 XOWXTPZGRUKEPI-GFCCVEGCSA-N 311.430 3.264 10 10 DGCE C[C@@H](c1ccccc1O)N(C)Cc1cn(C)nc1Br 1968792793 SWERWQUAKOGVIJ-JTQLQIEISA-N 324.222 3.081 10 10 DGCE CN[C@@H](c1ccc(N(C)C)cc1)[C@@H](C)N(C)C(=O)OC(C)(C)C 1977946877 YXELMPALCDMDDQ-CZUORRHYSA-N 321.465 3.269 10 10 DGCE CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]1(N)c1ccccc1O 1987824171 FGJTWMNDCYRMKZ-YJBOKZPZSA-N 320.433 3.212 10 10 DGCE C[C@H](NC(=O)CCCNCc1ccccc1)c1ccccc1O 1989696415 MRHGEFOLDZKMQB-HNNXBMFYSA-N 312.413 3.139 10 10 DGCE CO[C@H](C)CCN(C)Cc1cc(Br)ccc1O 2009688600 CGMAJNLLZQYRPF-SNVBAGLBSA-N 302.212 3.012 10 10 DGCE C[C@H](c1ccccc1O)N(C)c1nnc(Br)s1 2017502949 OBLRJXAWEDGGAM-SSDOTTSWSA-N 314.208 3.204 10 10 DGCE CC[C@@H](CCNCc1ccc(Br)cc1O)COC 2034914830 BQIJDHOAQMIEKK-NSHDSACASA-N 316.239 3.307 10 10 DGCE CN(CCCCCCN)Cc1cc(Br)ccc1O 710761880 XNXHAQRFBWZRLM-UHFFFAOYSA-N 315.255 3.106 10 10 DGCE C[C@@H](N)c1ccc(N(C)[C@@H]2COCCC2(F)F)c(Cl)c1 2168220885 QQGSKHAPBQJJOT-NOZJJQNGSA-N 304.768 3.220 10 10 DGCE Cc1cccc([C@H](C)n2ncc(C(=O)OC(C)(C)C)c2O)c1O 2070497975 FAYFWERWHNZEIK-NSHDSACASA-N 318.373 3.167 10 10 DGCE C[C@H](N)c1cc(F)c(N2CC[C@@H](P(C)(C)=O)C2)c(F)c1 2194691921 SNKKQJROOVSVPZ-GXSJLCMTSA-N 302.305 3.186 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNCC1CC2(CC[C@H]2O)C1 2195371473 WCTQSHPMASIGJO-KWCGZIOASA-N 316.228 3.340 10 10 DGCE CC(F)(F)[C@@H]1CCN(c2ccc(CN)cc2Br)C1 2042056385 KSXUKHJRUPEUJZ-SNVBAGLBSA-N 319.193 3.389 10 10 DGCE COc1ccc(O)c([C@@H](C)N[C@H]2CCC=C2Br)c1 2076080963 ZGUKXAZLZSSSCU-RNCFNFMXSA-N 312.207 3.493 10 10 DGCE C[C@@H]1C[C@@H]2CN(c3ccc(CN)c(Br)c3F)C[C@H]21 2085513026 KJXKBLFZNNMNOI-IEBDPFPHSA-N 313.214 3.139 10 10 DGCE CN1CCCc2cc([C@H](N)c3cc(Br)co3)ccc21 2112426995 UQFWZGNQSGETDK-HNNXBMFYSA-N 321.218 3.473 10 10 DGCE CNCc1ccc(N(C)Cc2coc(C)n2)c(Br)c1 2113579080 GNVQFGRNWKYNOT-UHFFFAOYSA-N 324.222 3.101 10 10 DGCE CO[C@H](C)c1nc(CNCc2cnc(SC)s2)cs1 2208641943 GHHKIIZQNULTEI-MRVPVSSYSA-N 315.489 3.319 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@@H]1NC(=O)c1ccc(Br)cc1 2218747165 ZWCAZBQVAPDWNA-QWRGUYRKSA-N 309.167 3.410 10 10 DGCE CNc1ccc(C)cc1C(=O)NCc1cnc(SC)s1 2284727074 MCGUTIOIOPRUKX-UHFFFAOYSA-N 307.444 3.145 10 10 DGCE COc1ccc(N(C)C(=O)/C=C/c2ccc(C)nc2)c(OC)c1 492476606 SPTQHDCDHKRGTN-JXMROGBWSA-N 312.369 3.083 10 10 DGCE COc1ccc(N(C)C(=O)C=Cc2cnn(C)c2C)cc1Cl 2304185034 GSISPJRFGCTIJR-UHFFFAOYSA-N 319.792 3.067 10 10 DGCE Cc1ccc(CN2CCC[C@@H]2CF)c(O)c1Br 2307468612 AZCWEXJYBOMMOU-LLVKDONJSA-N 302.187 3.397 10 10 DGCE c1cc(N2CCCCC2)ccc1CNCCCN1CCCC1 66236722 IKJYUXCQAQSDGB-UHFFFAOYSA-N 301.478 3.252 10 10 DGCE O=Cc1ccc2sc(I)c(O)c2c1 306735836 PTYYSLZHZSPGEV-UHFFFAOYSA-N 304.108 3.024 10 10 DGCE Cc1cncc(/C=C/C(=O)N2C[C@@H](C)Oc3c(F)cccc32)c1 185589895 YTMXYVKHGONMPU-KTRBRXNASA-N 312.344 3.356 10 10 DGCE CS[C@H](C)CCNCc1cccc(Br)c1O 122020632 ZNDUTXQTKRJOGS-SECBINFHSA-N 304.253 3.386 10 10 DGCE Cc1ccc([C@H](C)NCCCNC(=O)c2cccs2)c(O)c1 186031841 ZDFIHVCCAMEGGL-ZDUSSCGKSA-N 318.442 3.233 10 10 DGCE C[C@@H](N[C@H](C)c1nnc2n1CCCC2)c1ccc(F)c(F)c1O 187738955 PNVROBRFAKPNIE-NXEZZACHSA-N 322.359 3.010 10 10 DGCE CCCC[C@@]1(C)CN(CCCN)c2cc(OC)c(OC)cc2N1 75280798 OKDWIRHLWYXYRO-SFHVURJKSA-N 321.465 3.233 10 10 DGCE COc1ccc(N2CCNC[C@@H]2c2ccccc2)cc1Cl 86177175 IFKMWLHESFZFPD-MRXNPFEDSA-N 302.805 3.500 10 10 DGCE C[C@@H](N[C@H]1CC=CCC1)c1ccc(N2CCC(O)CC2)cc1 90035717 AXAAENQOGYYIID-WBVHZDCISA-N 300.446 3.407 10 10 DGCE C[C@@H](C1CC1)N(C)c1ccc(CN)c(Br)c1F 231839020 FMHXAWJSQSYHGV-QMMMGPOBSA-N 301.203 3.282 10 10 DGCE O=[N+]([O-])c1ccc(O)c(CN2CCS[C@@H]3CCCC[C@H]32)c1 246054789 AELVXCAKAQPXFY-UKRRQHHQSA-N 308.403 3.160 10 10 DGCE Cc1ccnc(CNC(=S)Nc2ccc(N)c(Cl)c2)c1 242562077 CERAVUKLNYPOEM-UHFFFAOYSA-N 306.822 3.112 10 10 DGCE CSc1ncc(CN[C@@]2(C(=O)O)CCCCC[C@H]2C)s1 2374525063 YILGPTUNZNVPMF-YGRLFVJLSA-N 314.476 3.378 10 10 DGCE CO[C@H]1CCCC[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1 293419913 IRBWHQKHKYEOHN-MSOLQXFVSA-N 316.445 3.108 10 10 DGCE CN(C)c1ccc(CN2CC[C@@H](O)C2(C)C)c(C(F)(F)F)c1 812778391 KAKMSFLUQZGMNO-CQSZACIVSA-N 316.367 3.117 10 10 DGCE CO[C@H](C)[C@@H](C)NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C 812577258 QZXUEPJXVORWJG-HUUCEWRRSA-N 321.465 3.096 10 10 DGCE CCOc1cccc(CSc2ncc(C(=O)OC)s2)n1 829681122 OETZJCOCCBHZIR-UHFFFAOYSA-N 310.400 3.016 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@@H](CO)c2cccc(F)c2)cc1 835038623 BZTQTIZFAVOTBC-PXPVJAHISA-N 314.404 3.228 10 10 DGCE Cc1ccc(/C=C\C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 588432655 JJBCTZZSIAABBL-GDAGCXPBSA-N 311.381 3.167 10 10 DGCE C[C@@H]1CNC[C@H]1CCNCc1ccc(N2CCCCC2)cc1 903973487 FKVYMCZNDCYNOH-SJLPKXTDSA-N 301.478 3.012 10 10 DGCE CN(C)c1ccc(/C=C\CN2CC[C@H]([C@H]3CCOC3)C2)cc1 835029682 VWCZYYSPNWGCKM-OOUWWJCLSA-N 300.446 3.124 10 10 DGCE CC(C)N1[C@H]2CC[C@H]1CN(Cc1cc3c(cc1O)CCC3)CC2 744440676 UDPQJGRTZJDNEC-OALUTQOASA-N 314.473 3.328 10 10 DGCE Oc1cc2c(cc1CN1CCC[C@H]([C@H]3CCOC3)C1)CCC2 747830249 LQOYOAPASUBCRM-IRXDYDNUSA-N 301.430 3.129 10 10 DGCE O=C(c1ccc(NC2=NCCC2)cc1)N1Cc2cccc(O)c2C1 913725793 APXAPFSIFMJLTF-UHFFFAOYSA-N 321.380 3.152 10 10 DGCE C[C@@H](NCc1cc(N)ccn1)c1cccc(C(F)(F)F)c1O 925767851 QPWIWSYHONUKRR-SECBINFHSA-N 311.307 3.239 10 10 DGCE CCC(F)(F)C(C)(C)CNCc1cc2c(cc1O)OCO2 858270931 QXLGDPIKCKPEEA-UHFFFAOYSA-N 301.333 3.282 10 10 DGCE COC(C)(C)[C@@H](C)NC(=O)c1cc(C)n(-c2ccccn2)c1C 928595003 NRFJAVXCPADJTI-CQSZACIVSA-N 315.417 3.032 10 10 DGCE Cc1ccc(CC2CN(C(=O)c3ccc(C)c(O)c3O)C2)cc1 855863650 BRRGZQQTHMSDEQ-UHFFFAOYSA-N 311.381 3.029 10 10 DGCE CN1CCCC[C@@H](CNC/C=C/c2ccc(N(C)C)cc2)C1 858245114 CHNMUBOTCVZDLO-IWHGQQBYSA-N 301.478 3.087 10 10 DGCE COc1ccc(N2CC[C@H](NC3C[C@@H]4CC[C@H](C3)S4)C2)cc1 926681292 XUCZJTZTFSHEOS-HILARFPUSA-N 318.486 3.290 10 10 DGCE Cc1cncc(CCN[C@H](C)c2cc3c(cc2O)CCCC3)n1 850550183 NCRJIDGBAFUTIL-CQSZACIVSA-N 311.429 3.263 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)/C=C(/C)C(C)(C)C)C2)cc1 855226384 RMOXSUNOJHLEQJ-ZSMUJPCHSA-N 316.445 3.383 10 10 DGCE CC[C@H](NC[C@@H](OC)[C@@H]1CCOC1)c1cc(Cl)ccc1O 850484262 FYGLXESRPKOLPD-DIOULYMOSA-N 313.825 3.138 10 10 DGCE Cc1noc(C)c1[C@@H](C)NC(=O)N[C@@H](C)c1ccccc1O 868251820 AUQBBTMXEGSAMZ-VHSXEESVSA-N 303.362 3.118 10 10 DGCE C[C@H](N[C@H]1CCCN(C)C1)c1ccc(N2CCCCC2)cc1 765280504 LYORYBVPPPJCMY-WMZOPIPTSA-N 301.478 3.422 10 10 DGCE O=C(NCc1ccccc1O)c1ccsc1C(F)(F)F 1465990513 LYRZBRDGNUUKJW-UHFFFAOYSA-N 301.289 3.403 10 10 DGCE C[C@@]12CNC[C@]1(C)CN(Cc1cc(Cl)cc(Cl)c1O)C2 702613569 YNRNHQXLGOEUCL-GASCZTMLSA-N 315.244 3.130 10 10 DGCE Oc1ccc(Br)cc1CN1CCC[C@@H](CF)C1 711477847 RNXLNNBGPJMGSK-JTQLQIEISA-N 302.187 3.336 10 10 DGCE CCCN(CCC)c1ccc(CNc2nc(C)n(C)n2)cc1 793263571 AJHHFCICFRQVDS-UHFFFAOYSA-N 301.438 3.362 10 10 DGCE C[C@H]1[C@H](Nc2c(N)cccc2F)CCN1C(=O)OC(C)(C)C 1959359277 HSBZCHSBJRTDLX-GXFFZTMASA-N 309.385 3.218 10 10 DGCE CC[C@@H](C)CC(=O)NCC1(NCc2ccc(OC)c(C)c2)CC1 1323435909 QCWJTAUCUBKMAB-CQSZACIVSA-N 318.461 3.178 10 10 DGCE C[C@@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@@H]1C 1333749194 QNDFTXRXHLSUIR-ZJUUUORDSA-N 305.399 3.431 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN(C(=O)c2ccc(Br)o2)C1 1912203962 TVNYGNZBOHNFJQ-MRVPVSSYSA-N 313.155 3.205 10 10 DGCE CC1(NC(=O)c2ccc(N=NC(N)=O)cc2)Cc2ccccc2C1 1466152684 FCSOFONJRSQWAD-UHFFFAOYSA-N 322.368 3.136 10 10 DGCE CC[C@H](C)CCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 1616858753 SLEUARWQWJGAPT-YJBOKZPZSA-N 319.493 3.298 10 10 DGCE CCCCCc1cc(C(=O)NCc2ccc(N(C)C)cc2)n[nH]1 1540494136 DAYKHWPUFMZSRM-UHFFFAOYSA-N 314.433 3.138 10 10 DGCE O=C(NCc1c(O)cccc1F)c1ccc(Br)cc1 1646028341 GDCZEURMYLEFPV-UHFFFAOYSA-N 324.149 3.224 10 10 DGCE COC(=O)c1cnc(S[C@H](C(C)=O)c2ccccc2)s1 1656581269 XMLIWHHABMPBFE-GFCCVEGCSA-N 307.396 3.352 10 10 DGCE CC(=O)c1cc(F)cc(CN[C@H]2CCOCC23CCCC3)c1O 1656545399 ROBZEVIFGWNRKG-INIZCTEOSA-N 321.392 3.173 10 10 DGCE COCCN(CC(C)C)c1ccc(CN)cc1C(F)(F)F 163697221 RXFAREYIVRBZSI-UHFFFAOYSA-N 304.356 3.273 10 10 DGCE CCCC1=NN(c2ccccn2)C(=O)/C1=C/c1ccc(O)cc1 1865658158 BQDCDSOTXMZDSO-NTCAYCPXSA-N 307.353 3.374 10 10 DGCE CCCCOc1ccc(NC(=O)c2cc(O)c(O)c(O)c2)cc1 1865876056 OUGALLMZVVYHQW-UHFFFAOYSA-N 317.341 3.235 10 10 DGCE C[C@H]1CC[C@@H](CN)N(Cc2cc(Cl)cc(Cl)c2O)C1 1205804631 NZPLBTOGHMRPNN-CABZTGNLSA-N 303.233 3.258 10 10 DGCE CN(Cc1ccccc1O)c1c(Br)cccc1CO 1877522381 DYIUFKCOETWCPI-UHFFFAOYSA-N 322.202 3.283 10 10 DGCE COc1cc(Cl)cc(CN[C@H]2CCCS[C@H]2C)c1O 1889266452 HWIKHPNNWBFQNV-CABZTGNLSA-N 301.839 3.428 10 10 DGCE CCC[C@H](CN)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 1990495708 UZOZNYPEUQIWFV-MRXNPFEDSA-N 321.465 3.275 10 10 DGCE C[C@H]1CCO[C@H]1CCN(C)c1cc(Cl)c(CN)cc1F 2177388196 OHXTVDJHMXOCPC-BONVTDFDSA-N 300.805 3.189 10 10 DGCE Cc1cc(=NCc2ccc(Br)cc2O)[nH]n1C(C)C 2063875395 RBTMMJVUSTUANN-UHFFFAOYSA-N 324.222 3.275 10 10 DGCE Cc1ccc(CNCC2CC(NC(=O)OC(C)(C)C)C2)c(O)c1 877809282 XIJIIVUQLLQYHP-UHFFFAOYSA-N 320.433 3.094 10 10 DGCE CCNCc1ccc(N2Cc3conc3C2)cc1Br 2104147149 YOYSRYAMJKBTQX-UHFFFAOYSA-N 322.206 3.067 10 10 DGCE CC(C)NCc1cnc(SC2(CO)CCCCC2)s1 2099112976 LAPKHAIYIHQDSZ-UHFFFAOYSA-N 300.493 3.428 10 10 DGCE C[C@H](Nc1cnncc1Br)c1ccc(F)cc1O 2264146911 QEINWQRLCKIDPB-ZETCQYMHSA-N 312.142 3.257 10 10 DGCE Nc1ccc(NC(=O)CSCC2(C(F)(F)F)CC2)cc1 2281250788 SWHFQMROMQMREV-UHFFFAOYSA-N 304.337 3.283 10 10 DGCE CCn1cc(N2C(=O)C(=Cc3cccs3)SC2=S)cn1 2297436716 JVZVGIPTOUCSAU-UHFFFAOYSA-N 321.452 3.370 10 10 DGCE CC(C)c1ccc(C=C2SC(=S)N(C[C@H](C)O)C2=O)cc1 2323701321 CYAKJJQENCKUOB-NSHDSACASA-N 321.467 3.392 10 10 DGCE Cc1ccc(CN2CCC[C@H]2CF)c(O)c1Br 2307565721 AZCWEXJYBOMMOU-NSHDSACASA-N 302.187 3.397 10 10 DGCE CC(=O)N(C(=O)NC=C(C)C1CCCC1)c1ccc(N)cc1 2325919643 GZVGCTMAWLZEQA-UHFFFAOYSA-N 301.390 3.425 10 10 DGCE CCCOc1cccc(C=C2C(=O)N(C)N=C2C(F)(F)F)c1 2332119310 YYBMHYJIXUPBJB-UHFFFAOYSA-N 312.291 3.249 10 10 DGCE Cc1cc(/C=C/C(=O)N[C@@H]2CCOC2)c(C)n1-c1ccccc1 179018170 VWKFZTPLQWVRRA-KBOKABMXSA-N 310.397 3.012 10 10 DGCE C[C@H]1CC(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@H](C)O1 179421309 BSHPJDAEHSVMHZ-GJZGRUSLSA-N 316.445 3.107 10 10 DGCE CCc1cnc([C@@H](C)NC(=O)CCc2ccc(N)cc2)s1 123430690 DJVLQXZESQOVLY-LLVKDONJSA-N 303.431 3.098 10 10 DGCE Cc1ccc(O)c([C@H](C)N[C@@H]2CCN(c3ccccc3)C2=O)c1 185812752 KAACORXIBABBHC-WMLDXEAASA-N 310.397 3.157 10 10 DGCE Cc1ccc([C@H](C)N[C@@H](C)c2nnc3n2CCCCC3)c(O)c1 319753016 JJHPUHQVGRUBIM-KBPBESRZSA-N 314.433 3.430 10 10 DGCE COC(=O)Cc1nc2cccc(C)n2c1/N=N\c1ccc(O)cc1 71590843 QZWPUPAJJSIPEA-VXPUYCOJSA-N 324.340 3.479 10 10 DGCE CCCc1nnsc1C(=O)N(CCC)c1ccc(N)cc1 87444040 JZNCKPLDTBZFQF-UHFFFAOYSA-N 304.419 3.130 10 10 DGCE COc1ccc(N)cc1NC(=O)CCCSc1nccs1 40676637 ZNZWSTQCXQSNKZ-UHFFFAOYSA-N 323.443 3.245 10 10 DGCE CCN(c1ccc(CNC)cc1Br)[C@@H](C)COC 233485706 UYOYLMMVNDMIRL-NSHDSACASA-N 315.255 3.030 10 10 DGCE CCc1ccc([C@@H]2COCCN2Cc2ccc(OC)cc2O)o1 93459527 ABXRSCAGFNYJOF-INIZCTEOSA-N 317.385 3.130 10 10 DGCE Nc1ccc(N(C(=S)N2CCOCC2)c2ccccc2)cc1 244279898 WTLPDTYNTQAGQD-UHFFFAOYSA-N 313.426 3.024 10 10 DGCE Cc1cc(Cl)cc(CNCc2cnc3n2CCCC3)c1O 367438483 NFVJCUMISHZPHH-UHFFFAOYSA-N 305.809 3.177 10 10 DGCE CCOc1ccc(O)c(CNc2cn(C)nc2-c2ccccn2)c1 376507239 UUYIOMVOMCDEGU-UHFFFAOYSA-N 324.384 3.199 10 10 DGCE Cc1cc(Cl)cc(CNC[C@H](O)c2ccc(F)cc2)c1O 278804268 YATJOSYNMRTAAD-HNNXBMFYSA-N 309.768 3.316 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)CC1CCN(C)CC1 291705816 PLFNYRGGJAHDDF-UHFFFAOYSA-N 318.461 3.253 10 10 DGCE COc1ccc(N(C)Cc2nn(C)c(C)c2Cl)cc1OC 817409870 GPNPCHGNMVIRRR-UHFFFAOYSA-N 309.797 3.036 10 10 DGCE CN(C)c1ccc(CN2C[C@]34CCCC[C@@]3(COC4)C2)cc1F 827850330 NPWLOBYFXGAHCI-OALUTQOASA-N 318.436 3.284 10 10 DGCE COc1cc(C)cc(CN2CCS[C@@H](C(F)(F)F)C2)c1O 905705020 JXTBQLRIYGASKZ-GFCCVEGCSA-N 321.364 3.189 10 10 DGCE CC1(C)CC[C@H]1C(=O)NCc1cccc(Br)c1O 834476445 YSKKGOSUKGIIHN-JTQLQIEISA-N 312.207 3.207 10 10 DGCE CC[C@H](N[C@H](CC)c1ccc(Cl)c(Cl)c1O)C(=O)NC 834911183 HQLVOJYTMDXUFR-MNOVXSKESA-N 319.232 3.264 10 10 DGCE Cc1ccc(CCC(=O)NCc2ccc(N3CCCC3)cc2)o1 746589735 XVDIFJACROSVBZ-UHFFFAOYSA-N 312.413 3.437 10 10 DGCE CC(C)(C)OC(=O)N[C@H](CCOc1ccc(N)cc1)C(F)F 1953022475 YFTGLXQPXCZYAA-GFCCVEGCSA-N 316.348 3.196 10 10 DGCE CCN(CC)c1ccc(CN[C@@H]2C[C@H]3CC[C@@H](N3)[C@@H]2C)cc1F 925566939 MMGNBWLYQASNLN-PAYONLEZSA-N 319.468 3.291 10 10 DGCE COC(=O)/C=C/c1ccc(N2[C@H]3CCC[C@H]2CC3)c([N+](=O)[O-])c1 753116494 SQSASTCVTDWMNB-DXHQHAPDSA-N 316.357 3.302 10 10 DGCE COc1ccc(/C=C(/C)C(=O)NCc2ccccc2O)cc1F 755516402 RAYOQZUKIGWWEB-XFXZXTDPSA-N 315.344 3.260 10 10 DGCE COc1cc(O)c(CNCC[C@@H]2CC2(Cl)Cl)cc1OC 857065662 SUCHYSPWPGXYPL-SNVBAGLBSA-N 320.216 3.083 10 10 DGCE C[C@H](N[C@@H](C1CCC1)[C@@H]1CCCO1)c1cc([N+](=O)[O-])ccc1O 866491476 RWRQYOXYVRRDJA-GOPGUHFVSA-N 320.389 3.299 10 10 DGCE Cc1cc(O)c(CNCC(C)(C)C(=O)N2CCCC2)cc1Cl 862527966 KVQXITMVAINQNG-UHFFFAOYSA-N 324.852 3.092 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)[C@H]1C[C@H]1C1CCCC1 862025503 WPPJYPAZTWDEGQ-HOTGVXAUSA-N 310.397 3.383 10 10 DGCE Oc1ccc(Br)cc1Cn1cnc2c1CCCC2 862430903 FASXFINAQFFZIP-UHFFFAOYSA-N 307.191 3.278 10 10 DGCE CCCCCNC[C@@H]1CCN(c2ccc(OC)cc2OC)C1 76375849 RPZFXPFXDGRGLW-HNNXBMFYSA-N 306.450 3.310 10 10 DGCE COc1cc(C)cc(CNc2ccnn2[C@@H](C)C2CC2)c1O 894219764 GLJNNGHCZDEXNM-LBPRGKRZSA-N 301.390 3.489 10 10 DGCE CN(Cc1ccccc1O)C(=O)[C@H]1CC[C@H](C(F)(F)F)C1 797190964 SIDRNSLTQMVOFQ-JQWIXIFHSA-N 301.308 3.329 10 10 DGCE CO[C@H]1CCC[C@@H]1N(C)Cc1cc(Br)ccc1O 687465756 CEUTTZYJNGFWCX-JSGCOSHPSA-N 314.223 3.154 10 10 DGCE Oc1cccc(Br)c1CN1CC[C@H](C(F)F)C1 707139480 JLPGVFAHUSBYJQ-QMMMGPOBSA-N 306.150 3.242 10 10 DGCE [N-]=[N+]=NCCN1C[C@H]2CC[C@H]1[C@@H]1CN(Cc3ccccc3)C[C@H]21 707742089 ZYAAAYSKCNWGFA-TVFCKZIOSA-N 311.433 3.139 10 10 DGCE C[C@H]1COC[C@@H](C)N1[C@@H](C)c1cc(Br)ccc1O 688899655 CTIZEBFMDMLDBO-AXFHLTTASA-N 314.223 3.325 10 10 DGCE Cc1cccc(NC(=O)c2cc3cc(O)c(O)cc3s2)n1 1141704540 PAYUZXUHWXMCMP-UHFFFAOYSA-N 300.339 3.268 10 10 DGCE Cc1cccc(N)c1N[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 1959371344 MHHDKBKXJXDFDV-CHWSQXEVSA-N 305.422 3.435 10 10 DGCE CCCN[C@@]1(CO)C[C@@H](Sc2nccs2)C[C@H](C)C1 2118779785 YNCQVDYHUKMYJT-SGMGOOAPSA-N 300.493 3.155 10 10 DGCE CCN(CC)c1ccc([C@H](CN)NC(=O)OC(C)(C)C)cc1 218065231 DHOSQDQJAGYMCG-HNNXBMFYSA-N 307.438 3.057 10 10 DGCE CN(CCN=[N+]=[N-])CC(=O)Nc1c(Cl)cccc1Cl 1912206176 RPRPJBGVDJAVRD-UHFFFAOYSA-N 302.165 3.174 10 10 DGCE CC[C@H]1CCN(Cc2c(O)cccc2Br)CCO1 1913682099 HOKKIEQQZQLKFT-NSHDSACASA-N 314.223 3.156 10 10 DGCE C[C@@H](O)CN(Cc1ccccc1)c1ccc([C@@H](C)O)cc1F 1914610990 VYNVRRLSAPSNSE-ZIAGYGMSSA-N 303.377 3.266 10 10 DGCE Cc1ccc2c(c1)C=C(C(=O)NCc1cc(C)ccc1O)CO2 1453649949 APLUFESXVGMYIS-UHFFFAOYSA-N 309.365 3.101 10 10 DGCE Cc1cc(F)cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1N 1296648788 NUJVMSDNOACQAM-LBPRGKRZSA-N 315.392 3.273 10 10 DGCE Cc1ncccc1/C=C/C(=O)N1C[C@H](C)Oc2cc(F)ccc21 1523588048 VGMREMYJIHRYBB-ZCRIDZFUSA-N 312.344 3.356 10 10 DGCE CCOc1ccc(N(CC2CC2)C[C@@H]2COC(C)(C)O2)cc1 1460629798 XGOWMHVSULVMFC-QGZVFWFLSA-N 305.418 3.453 10 10 DGCE CCC[C@H](CC)C(=O)N(CC(=O)OCC)Cc1ccccc1O 1469231373 SBNQXUCOWRXXJL-AWEZNQCLSA-N 321.417 3.110 10 10 DGCE Cc1cc(C)cc(C2(C(=O)NCc3cc(O)ccc3O)CC2)c1 1471661577 TXQBTNCEDUJCDV-UHFFFAOYSA-N 311.381 3.063 10 10 DGCE COc1cccc(C(=O)NCc2cc(Cl)ccc2O)c1C 1644591025 ZNXNNGUYXXYQIU-UHFFFAOYSA-N 305.761 3.293 10 10 DGCE CN(C(=O)OC(C)(C)C)C1CC([C@@H](N)c2ccccc2O)C1 1928477187 QUVOLLMRHUEYMO-KOHJWAIASA-N 306.406 3.038 10 10 DGCE CN[C@H](CN(C(=O)OC(C)(C)C)C(C)C)c1ccccc1O 1928471630 WGZFJXXSVIBZDZ-CQSZACIVSA-N 308.422 3.298 10 10 DGCE O=C(NCC[C@@H]1CC[C@H]2C[C@@H]12)NCc1cccc(Cl)c1O 1676091126 BLHOXLSBWJFEPM-GVXVVHGQSA-N 308.809 3.281 10 10 DGCE CCCNCc1ccc(N2CCC[C@H](N(C)C)C2)c(Cl)c1 164126795 YFZPRDVWKGKOEB-HNNXBMFYSA-N 309.885 3.370 10 10 DGCE O=C1/C(=C\c2ccccc2)SC(=S)N1CCCCCO 1858590147 YTSDSLIYNLDCKQ-ACCUITESSA-N 307.440 3.050 10 10 DGCE Cc1ccccc1[C@H](c1ccc(N(C)C)cc1)N1CCNCC1 19932386 XAMMUJUUANAGJA-FQEVSTJZSA-N 309.457 3.056 10 10 DGCE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@@H](N)c2ccccc2O)C1 1938979734 TXQPDOHKMXULDN-INWMFGNUSA-N 320.433 3.428 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1[C@H](N)c1ccccc1O 1936977906 VRKOQFTUFFYKMC-BJJXKVORSA-N 320.433 3.476 10 10 DGCE C[C@H]1SCCS[C@H]1c1noc(-c2ccc(O)c(O)c2)n1 235596673 UXFZGWRCDQPDAB-RDDDGLTNSA-N 310.400 3.057 10 10 DGCE C[C@H](N)c1ccc(N2CC[C@](C)(F)C2)cc1Br 1946948078 ICNIQDCYMFWIRF-ZANVPECISA-N 301.203 3.407 10 10 DGCE Cc1nc2c(NC(=O)/C=C/c3ccc(O)c(O)c3)cccc2o1 1179687281 RYNUHKVSNCQYPQ-SOFGYWHQSA-N 310.309 3.199 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@@H]2CCCC3(CC2)OCCO3)c1 1967519529 CMPNUJDKUSYMEO-UONOGXRCSA-N 321.417 3.127 10 10 DGCE C[C@H]1N(c2ccc(CO)cc2Br)CCC1(F)F 2004602514 JYQQZGAWBRLEAP-MRVPVSSYSA-N 306.150 3.175 10 10 DGCE CC[C@H](CN(CC)Cc1ccc(N)cc1)NC(=O)OC(C)(C)C 1981720248 FVPYHRRZBFWDOI-MRXNPFEDSA-N 321.465 3.394 10 10 DGCE CN(C)c1ccc([C@](C)(N)C(C)(C)NC(=O)OC(C)(C)C)cc1 1991744504 MJJOZKFIEJXJEA-SFHVURJKSA-N 321.465 3.230 10 10 DGCE Cc1ccc(CN[C@H]2CC[C@@H]2CNC(=O)OC(C)(C)C)c(O)c1 1994457463 BNPGMOKXMBZOMG-HIFRSBDPSA-N 320.433 3.094 10 10 DGCE C[C@@H](NCc1c(O)cccc1Br)c1cnsc1 1998191700 XPYDTUWUQMIZCM-MRVPVSSYSA-N 313.220 3.462 10 10 DGCE Oc1cc(Br)ccc1CN1C[C@@H](F)C[C@@H](F)C1 2011415545 SEEQGZQKAUJDFJ-PHIMTYICSA-N 306.150 3.037 10 10 DGCE CC(C)CNCc1cnc(Sc2n[nH]c(C(C)C)n2)s1 2155328819 PCYONTYQWQMHLJ-UHFFFAOYSA-N 311.480 3.281 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)c2cc(Br)c[nH]2)CC1 2038001517 CNDHHRUMSADGRW-VIFPVBQESA-N 312.171 3.082 10 10 DGCE CN(C)C[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2O)C1 405196862 ORAYHNBZIALYNG-NSHDSACASA-N 317.260 3.473 10 10 DGCE COCCNCc1ccc(N(C)CC(C)(F)F)c(Cl)c1 703073562 GHYGFHMCLMMWIK-UHFFFAOYSA-N 306.784 3.167 10 10 DGCE CCNCc1cc(F)c(N2CC[C@@H](CSC)C2)c(F)c1 706669521 UAMXVEIUMNWVEA-LLVKDONJSA-N 300.418 3.264 10 10 DGCE C[C@H](O)c1ccc(N2CC[C@H](CF)C2)cc1Br 711425334 FXAYOIHOFQMCRG-VHSXEESVSA-N 302.187 3.298 10 10 DGCE COc1cc(Br)ccc1NCc1ccc(O)cc1O 712293389 PYSQJDRCSDXFDW-UHFFFAOYSA-N 324.174 3.481 10 10 DGCE COc1cccc(Cn2ncc(C3CCCCC3)c2N)c1O 2070284001 BCYQWTYUSACCOV-UHFFFAOYSA-N 301.390 3.276 10 10 DGCE COc1ccc(O)c([C@H](C)n2ncc(C)c2Br)c1 2070301903 PFMLXVAFBGGPIO-VIFPVBQESA-N 311.179 3.278 10 10 DGCE Oc1ccc(Br)cc1CN1CCCC[C@@H](F)C1 1203635917 LEDMSPYGZHSIGD-GFCCVEGCSA-N 302.187 3.479 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@H]1C[C@H](c2ncc[nH]2)C1 2181590560 VBFGUDQQJOHNJT-JLIMDTESSA-N 312.200 3.458 10 10 DGCE CCNCc1ccc(N2C[C@H]3C(C(F)F)[C@@H]3C2)c(Cl)c1 2192282547 NNYRUJVIFKKWMG-GHMZBOCLSA-N 300.780 3.397 10 10 DGCE CN[C@H](c1ccc(N(C)C)cc1)c1cncc(Br)c1 2106794415 WUWLHNRKAVNUOD-OAHLLOKOSA-N 320.234 3.219 10 10 DGCE CN(Cc1ccccc1N)Cc1c(O)cccc1Br 2092732906 NHAPKKHGTVVSFR-UHFFFAOYSA-N 321.218 3.369 10 10 DGCE COc1ccc(N2CCCCNCC(F)(F)C2)cc1Cl 2202990538 NZBWGUYMMSRKDW-UHFFFAOYSA-N 304.768 3.174 10 10 DGCE COc1ccc(Br)c(CN(C)c2cccnc2)c1O 2227775578 BISYSKAWRPXGSL-UHFFFAOYSA-N 323.190 3.195 10 10 DGCE CSc1ncc(CN=c2[nH]c(C(F)(F)F)cs2)s1 2256940248 MTROUKSIILMYJJ-UHFFFAOYSA-N 311.379 3.374 10 10 DGCE C[C@H]1CCCN(C2=NC(=O)C(=Cc3ccc(O)cc3)S2)C1 2293345694 DULXBHJAQXWLMK-NSHDSACASA-N 302.399 3.094 10 10 DGCE COc1cc(N)c(NCc2cnc(SC)s2)cc1OC 2284699654 OUJQMCXPACNZFJ-UHFFFAOYSA-N 311.432 3.077 10 10 DGCE O=C(C=Cc1cccc2cccnc12)N1CCOc2ncccc21 2297783479 ISHJNZUIIFAPQM-UHFFFAOYSA-N 317.348 3.069 10 10 DGCE Oc1ccc(Br)cc1CN[C@H]1C[C@@H]2C[C@H]1C[C@@H]2F 2308606480 OEOIORCNWSNDNA-VDUILEQBSA-N 314.198 3.381 10 10 DGCE CC[C@@H]1COCCN1Cc1ccc(C)c(Br)c1O 2327563107 ACCVWIYTXIIWHV-GFCCVEGCSA-N 314.223 3.074 10 10 DGCE Clc1ccc(COc2ccc(N3CCNCC3)cc2)cc1 9254 XHOUILASJFFIGE-UHFFFAOYSA-N 302.805 3.329 10 10 DGCE O=C1/C(=C\c2cccnc2)SC(=S)N1c1ccc(O)cc1 8645186 OAQJYNDTHPOIEH-MDWZMJQESA-N 314.391 3.193 10 10 DGCE CC(C)(C)OC(=O)N1CC(=O)C[C@H]1c1c(O)cccc1Cl 1952063564 XXZWCEXXWKAOFD-NSHDSACASA-N 311.765 3.297 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)Cc2c(C)cccc2C)c1 180735967 MBQZFADSBYCRRM-AWEZNQCLSA-N 313.397 3.438 10 10 DGCE CCN1Cc2cccc(NC(=O)/C=C/c3ccc(O)c(O)c3)c2C1 181318536 FSSVYNBJWXDGKZ-VQHVLOKHSA-N 324.380 3.085 10 10 DGCE Oc1ccc(CNc2ccccc2Br)c(O)c1O 226748722 DRNMBJIAVHDCQK-UHFFFAOYSA-N 310.147 3.178 10 10 DGCE O=C(COc1ccccc1)N1CCc2cc(N3CCCC3)ccc21 41121316 RUVJOVYCTPQJBV-UHFFFAOYSA-N 322.408 3.255 10 10 DGCE CCN(CCOC)c1ccc([C@H](C)NC)cc1Br 61697047 PDLAQDHQJXWSRT-NSHDSACASA-N 315.255 3.202 10 10 DGCE CC[C@@H]1CCCC[C@]1(NCc1cnc(SC)s1)C(=O)O 2371808515 QJDARWXCBHMIOM-QMTHXVAHSA-N 314.476 3.378 10 10 DGCE CCOC[C@@H]1CCCN(Cc2cc(Cl)c(F)cc2O)C1 295497444 YCQNDZZXOBPOPQ-LLVKDONJSA-N 301.789 3.433 10 10 DGCE CN1CCCc2cc(CNC(=O)N3CCC34CCCC4)ccc21 844936372 XSSAFSBIFPMNEO-UHFFFAOYSA-N 313.445 3.297 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC[C@@H]1C1CC1 840484129 MXZBPHIQLJGELQ-RDTXWAMCSA-N 315.461 3.186 10 10 DGCE Cc1cc(O)c(CN2CC[C@@H](Cc3cnn(C)c3)C2)c(Cl)c1 840923794 VSJQMEBVEUDVEL-ZDUSSCGKSA-N 319.836 3.152 10 10 DGCE Cc1ccc(O)c(CN[C@H]2CCN(c3ccc(F)cc3)C2)c1 840978734 VLKNJOMPLZCNIP-INIZCTEOSA-N 300.377 3.208 10 10 DGCE CCC[C@@H](C)[C@H](CO)NCc1cc(Cl)cc(C(C)=O)c1O 844378701 LUZQAJNOBXRZQM-BMIGLBTASA-N 313.825 3.135 10 10 DGCE CN(C)c1ccc(/C=C/CNC[C@@H]2CCN2C2CCCC2)cc1 858286211 UUQCXUXSFUZVJB-XJDXJNMNSA-N 313.489 3.372 10 10 DGCE Cc1ccc(/C=C\C(=O)N2C[C@H](C)Oc3cc(F)ccc32)cn1 754308183 NOSNWRWCJVUQGL-UJZCVKTISA-N 312.344 3.356 10 10 DGCE COc1ccc(N2CCC(NCCOC(C)(C)C)CC2)cc1 776891186 WTGPDNXVRLRTGN-UHFFFAOYSA-N 306.450 3.069 10 10 DGCE COc1cc(O)c(CNCC[C@@H]2CCCC2(F)F)cc1OC 895544448 JCQLGNGWXZCQCW-LBPRGKRZSA-N 315.360 3.325 10 10 DGCE C[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)[C@@H](C)[C@H]1C 897989713 PORIVGVXTVYRMX-UTLUCORTSA-N 305.399 3.429 10 10 DGCE Cc1ccccc1[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C1CC1 1136763178 LPACYYMKODICRR-IBGZPJMESA-N 311.381 3.216 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2CC[C@]2(Nc2ccc(N)cc2)C1 1959362765 HFZQMEXMFBGQDH-PXAZEXFGSA-N 303.406 3.080 10 10 DGCE Cc1ccc(CCCCC(=O)NCc2cc(O)ccc2O)cc1 1303223565 VKJZUNSSNBHYCI-UHFFFAOYSA-N 313.397 3.435 10 10 DGCE CCO[C@@H](C(=O)NCc1cc(Cl)ccc1O)C1CCCC1 1300396339 OQJBEMOBTQTWFO-OAHLLOKOSA-N 311.809 3.257 10 10 DGCE Cc1ccccc1C1(C(=O)NCc2c(O)cccc2O)CCC1 1304053769 RSYWWBSYOXQTCO-UHFFFAOYSA-N 311.381 3.144 10 10 DGCE CCN[C@@]1(CO)C[C@@H](Sc2nccs2)CC(C)(C)C1 2127165836 RBGUMZGFPDXILV-FZMZJTMJSA-N 300.493 3.155 10 10 DGCE CC[C@H](NCc1cc(C(F)(F)F)nn1C)c1ccccc1O 1335247581 YVGQVWQLOLWETA-LBPRGKRZSA-N 313.323 3.385 10 10 DGCE Oc1c(Br)cccc1CN1[C@H]2CC[C@H]1[C@H]1CC[C@@H]2O1 1901309330 LFMICQZGAOQQCL-XDQVBPFNSA-N 324.218 3.049 10 10 DGCE NCc1ccc2c(c1)CCN2Cc1cccc(Br)c1 2133395338 IYTSZUNGXQPVCQ-UHFFFAOYSA-N 317.230 3.471 10 10 DGCE CC[C@@H](SC)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1352615964 VFHVKRHRRCSRID-MRXNPFEDSA-N 306.475 3.387 10 10 DGCE NCc1ccc(N(Cc2ccccc2)C2COC2)cc1Cl 1915656582 PEARAHSSEQQXOJ-UHFFFAOYSA-N 302.805 3.204 10 10 DGCE COc1ccc(N(C)C(=O)/C(C)=C/c2cccnc2)c(OC)c1 1526512294 VSHSTMKHPSVVPS-JLHYYAGUSA-N 312.369 3.165 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCC[C@@H](C)C2)cc1 1527594696 DSDGNIXAOSLNEY-HZPDHXFCSA-N 318.461 3.416 10 10 DGCE CCCN[C@@H]1CC[C@H](COC)C[C@H]1Sc1nccs1 1918882069 QUBXXATZJNAMEN-YNEHKIRRSA-N 300.493 3.419 10 10 DGCE Cc1cccc(-n2c(C)cc(CNC(=O)c3cncn3C)c2C)c1 1535136695 VRHSSMHRNQLJPK-UHFFFAOYSA-N 322.412 3.066 10 10 DGCE COc1ccc(F)c(CNC(=O)N[C@@H](C)c2ccccc2O)c1 1479015208 MDWWALCQYOPPCT-NSHDSACASA-N 318.348 3.100 10 10 DGCE C[C@H](NCc1cc(O)nc(-c2ccccc2)n1)c1ccccc1O 1620505375 XWXMYLDONKWGBH-ZDUSSCGKSA-N 321.380 3.406 10 10 DGCE CC1=C(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)CCCO1 1624626679 VPSGXNCFBMMUKH-UHFFFAOYSA-N 314.429 3.330 10 10 DGCE COc1ccc2cc(C(=O)N(C)Cc3ccccc3O)cnc2c1 1635658051 GMKGUANZWUOXKZ-UHFFFAOYSA-N 322.364 3.221 10 10 DGCE CN(C)c1ccc(CNC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)cc1 25962217 FXIPZQBBMXWZHT-MSOLQXFVSA-N 312.388 3.312 10 10 DGCE CCO[C@@]1(C)C[C@H]1NC(=O)c1ccc(-n2c(C)ccc2C)cc1 1645815036 BYAVWGBXDCZZMJ-MJGOQNOKSA-N 312.413 3.391 10 10 DGCE CCCn1c(C(=O)NCc2cccc(O)c2O)cc2ccccc21 1651175927 SVZCOKFNLMSNTF-UHFFFAOYSA-N 324.380 3.393 10 10 DGCE Oc1nc(Cl)cc(NCc2cc(Cl)cc(Cl)c2O)n1 1655537488 VADRLCACHDDTIL-UHFFFAOYSA-N 320.563 3.460 10 10 DGCE Cn1ccc(C(=O)NCc2ccc(O)c(O)c2)c1-c1ccccc1 1595595341 BUGIXCLIXWWGBR-UHFFFAOYSA-N 322.364 3.033 10 10 DGCE Cc1cccc(CN[C@H]2CCCC3(OCCO3)C2(C)C)c1O 2139760615 TWRNPSQXVBEYDO-HNNXBMFYSA-N 305.418 3.112 10 10 DGCE COc1cccc(CNC(=O)C/C=C/c2ccc(F)cc2)c1O 155455187 VIVLRMJTRIFWBZ-DUXPYHPUSA-N 315.344 3.260 10 10 DGCE CCCCOCCCN=NNc1ccc2c(c1)OCC(=O)N2C 1860493858 FVORETXRCGPHEQ-UHFFFAOYSA-N 320.393 3.028 10 10 DGCE Nc1ccc(OCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 324704314 ZEVKGYZDNASEKN-UHFFFAOYSA-N 324.424 3.129 10 10 DGCE COc1cccc(CNc2ccc(Br)nc2C)c1O 234974103 SURZLIFUPBFSIS-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]2CCN(c3ccc(N)cc3)C[C@@H]21 1894537372 KIHJEAMNPBGQDX-BBRMVZONSA-N 317.433 3.105 10 10 DGCE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N(C)CCN=[N+]=[N-] 1962286494 ARKYDMSQJHMFHC-CHWSQXEVSA-N 311.430 3.264 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@](C)(Oc1ccc(N)cc1)C2 1901214078 ROYJPXSYUZYFFS-XLWVJDPXSA-N 318.417 3.436 10 10 DGCE CCc1c(NCc2cc(Br)ccc2O)cnn1C 1963191589 XVSLTCWKYVCDHU-UHFFFAOYSA-N 310.195 3.063 10 10 DGCE C[C@H](N)c1cnc(SCCCNC(=O)OC(C)(C)C)s1 1883313098 AUTLMHVMAHJNPI-VIFPVBQESA-N 317.480 3.170 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H](NCc2ccc(F)cc2O)C1 1964559774 GYRCACKQNXLLJF-AWEZNQCLSA-N 324.396 3.020 10 10 DGCE CO[C@@H]1[C@H](NCc2cccc(Br)c2O)CC1(C)C 1974300294 SGDOFMNNFOQNAV-DGCLKSJQSA-N 314.223 3.058 10 10 DGCE Cc1cccc(O)c1[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C(C)C 1976873396 MMEFEGZXAABVEO-AWEZNQCLSA-N 323.389 3.472 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1C[C@@H]([C@H](F)[C@H](N)c2ccccc2O)C1 1992605359 LOCCVPQTFAVTJM-IDTSFGKNSA-N 324.396 3.033 10 10 DGCE C[C@@H](N)c1ccc(N2CC(CCF)C2)c(Br)c1 1996950604 MARJDWGMOPSTIO-SECBINFHSA-N 301.203 3.265 10 10 DGCE C[C@H]1CCOCCN1[C@H](C)c1cc(Br)ccc1O 2031609013 IADHCJKMABWNAT-WDEREUQCSA-N 314.223 3.327 10 10 DGCE Oc1c(Br)cccc1CNC[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2 2070873302 CZLMKGHWHOYQBD-YGEZULPYSA-N 308.219 3.146 10 10 DGCE COc1ccc(O)c([C@@H](C)n2ncc(-c3ccccc3)c2N)c1 2070240133 FJAWETBHRRAWOW-GFCCVEGCSA-N 309.369 3.456 10 10 DGCE COc1ccc(Cn2nc(C(C)C)c(C3(C)CC3)c2N)c(O)c1 2079831668 KMNVJUFERHWLLO-UHFFFAOYSA-N 315.417 3.403 10 10 DGCE CCC[C@@H]1COC[C@@H]1N(C)c1cc(Cl)c(CN)cc1F 2177383660 PGYJCPOEZMMKTP-BMIGLBTASA-N 300.805 3.189 10 10 DGCE CN[C@@H](c1ccc2c(c1)CCN2C)c1ccoc1Br 2106855455 OLPVOMMSWPMGIR-AWEZNQCLSA-N 321.218 3.343 10 10 DGCE Cc1cc([C@@H](NN)c2ccccc2O)cc(C)c1Br 2090037564 NXTFBTSIXXISOQ-OAHLLOKOSA-N 321.218 3.324 10 10 DGCE Oc1cccc(Cl)c1CN[C@@H](C(F)F)C1CCOCC1 2239468485 QPQOORRRVUXKPH-CYBMUJFWSA-N 305.752 3.196 10 10 DGCE C[C@@H](O)c1ccc(N(C)CC[C@@H]2CCO2)cc1Br 2264010535 MORHQUCKWZWCFB-ZYHUDNBSSA-N 314.223 3.118 10 10 DGCE Nc1ccc(CS(=O)(=O)C[C@H]2CCCCC2(F)F)cc1 2283106459 GWNHZJPONRVCRS-GFCCVEGCSA-N 303.374 3.009 10 10 DGCE Cc1ccc(N2NC(=O)C(=Cc3ccc(Cl)cc3)C2=O)cc1 2297101951 IIKWAOUDVZUWCO-UHFFFAOYSA-N 312.756 3.110 10 10 DGCE COCCCN1C(=O)C(=Cc2ccccc2F)SC1=S 2297243967 OMFGTXMEHVQZOS-UHFFFAOYSA-N 311.403 3.063 10 10 DGCE NCc1ccc(N2CCN(Cc3ccccc3)CC2)cc1C1CC1 2301283578 QNCUEFXUJLBPLU-UHFFFAOYSA-N 321.468 3.345 10 10 DGCE COC(C)(C)C1(NCc2cccc(Br)c2O)CC1 2320672960 RNXQYBDKXZHJKL-UHFFFAOYSA-N 314.223 3.202 10 10 DGCE CCOC(=O)C1CCN(N=Nc2ccc(N(C)C)cc2)CC1 2330221521 RVDTXLSLKPVOAL-UHFFFAOYSA-N 304.394 3.026 10 10 DGCE Cc1ccc(N=NN2CCN(c3ncccn3)CC2)cc1Cl 2330210118 MNWDLBHJNDHOMF-UHFFFAOYSA-N 316.796 3.259 10 10 DGCE Cc1cc(Br)c(O)cc1NCc1ccc(O)cc1O 2344286018 HBJHGNZXIGYASY-UHFFFAOYSA-N 324.174 3.486 10 10 DGCE CN(C)Cc1ccccc1CNCc1cc(Cl)ccc1O 20551320 XMCWOPOPDNEUMX-UHFFFAOYSA-N 304.821 3.397 10 10 DGCE O=Cc1ccc(I)c2scc(O)c12 306971894 SYEZMINNKGJFSO-UHFFFAOYSA-N 304.108 3.024 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)C(=O)Nc1cccc2[nH]ccc12 170025223 BWNFHPBMCBNGRD-NSHDSACASA-N 310.353 3.396 10 10 DGCE COc1ccc([C@](C)(Nc2ccccc2Cl)C(N)=O)cc1 37950194 NBUUPOHSDOLTOY-INIZCTEOSA-N 304.777 3.161 10 10 DGCE CS[C@H](C)CNCc1cc(Br)cc(C)c1O 133487369 RMHIRUDXZMUDLE-SECBINFHSA-N 304.253 3.304 10 10 DGCE CO[C@@H]1CN(Cc2cccc(Br)c2O)CC[C@@H]1C 221276228 UMWGNGTUAXSBMV-GXFFZTMASA-N 314.223 3.012 10 10 DGCE CCOc1ccc(O)c(CN2CCCC[C@@H]2c2cn[nH]c2)c1 93438414 SLVTWTJWFBHNRL-MRXNPFEDSA-N 301.390 3.241 10 10 DGCE COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CC3(C)C)ccc21 343388782 LWPFSKQFMTYBJC-QGZVFWFLSA-N 314.429 3.433 10 10 DGCE CN1CCc2cc([C@@H](N)[C@@H](O)c3csc(Cl)c3)ccc21 2163140332 IECJMJFDGBPIRA-CABCVRRESA-N 308.834 3.127 10 10 DGCE CN(Cc1ccccc1O)c1c([N+](=O)[O-])cnc2ccccc12 813600171 KWRHGXWQJRXSGO-UHFFFAOYSA-N 309.325 3.485 10 10 DGCE O=c1cc(-c2cccnc2)ccn1CCCOc1ccccc1 821185525 NNSCRTUFABCDND-UHFFFAOYSA-N 306.365 3.379 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1C[C@@H]1c1ccccc1 588405007 FCDWNAWUFZOIRS-LTSYXSSYSA-N 309.365 3.031 10 10 DGCE Cc1cccc(N)c1N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C 1894517514 VAPFMUPVXQITNC-YUELXQCFSA-N 317.433 3.387 10 10 DGCE CC(C)Oc1ccc(C(=O)NCc2cc(Cl)ccc2O)nc1 846473978 PGWLLBTYYQVJAV-UHFFFAOYSA-N 320.776 3.158 10 10 DGCE CO[C@H](CCNCc1c(O)cc(C)cc1Cl)C(F)(F)F 840938876 IZEOJXGDDAUPJM-GFCCVEGCSA-N 311.731 3.411 10 10 DGCE C[C@@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)CCc2ccccc21 846515843 FHLVKLNGXKCWHK-IUCKJTJTSA-N 323.392 3.299 10 10 DGCE Cc1cc(O)c(CNCc2nccn2CC(C)C)c(Cl)c1 840898441 DXPUHZOFWBYFBA-UHFFFAOYSA-N 307.825 3.496 10 10 DGCE COc1ccc2c(c1)N(C(=O)/C(C)=C\c1cccnc1)C[C@H](C)O2 846888210 GUYLULXEYVLJBL-XXYUJHKVSA-N 324.380 3.308 10 10 DGCE CC(C)[C@H]1COCC[C@H]1NCc1ccc(N2CCCC2)cc1 924650392 XWRYRZKGDYZICH-RTBURBONSA-N 302.462 3.438 10 10 DGCE COC[C@@H](CCN[C@H](C)c1cccc(C(F)(F)F)c1O)OC 850485680 MNCKLVRUPSKNPN-GHMZBOCLSA-N 321.339 3.113 10 10 DGCE C[C@]1(C(F)F)CN(Cc2cc3c(cc2O)CCCC3)CCO1 853635344 ZLGFYOJUORTWPT-QGZVFWFLSA-N 311.372 3.127 10 10 DGCE FC(F)CN(Cc1ccc(N2CCOCC2)cc1)C1CCC1 931761726 HZNPPPMLJABJJA-UHFFFAOYSA-N 310.388 3.143 10 10 DGCE CCN(CC)c1ccc(CN(C)[C@H](CC(C)C)C(=O)O)cc1 863528015 PYZRUBJEMYHEQE-QGZVFWFLSA-N 306.450 3.464 10 10 DGCE C/C=C\CNC(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1 863111667 FJUBAUAVSYPFLI-PLNGDYQASA-N 310.397 3.141 10 10 DGCE CN(Cc1ccns1)Cc1cc(Cl)cc([N+](=O)[O-])c1O 895454139 VGQKBXQQQLSIJF-UHFFFAOYSA-N 313.766 3.042 10 10 DGCE CN(C)c1ccc(CN2CCC3(CCCCO3)CC2)cc1F 895654073 NXAOBKBHDBEMIO-UHFFFAOYSA-N 306.425 3.427 10 10 DGCE C[C@H](Nc1cnn(C)c1Br)c1ccc(N(C)C)cc1 694197190 MUKGMLOIDGLVNQ-JTQLQIEISA-N 323.238 3.422 10 10 DGCE O=C(Cc1cccc2ccccc12)NCc1c(O)cccc1O 1178905109 HUXOOWAXEKXOHH-UHFFFAOYSA-N 307.349 3.110 10 10 DGCE CCC[C@H](C)C(=O)N[C@H]1C[C@H](NCc2ccc(OC)c(C)c2)C1 1266583250 RLVSEAFXTFREHI-JQFCIGGWSA-N 318.461 3.177 10 10 DGCE CN(CCCN=[N+]=[N-])C(=O)Cc1cccc(Br)c1 1912189136 SBNAGXNXNZYFJW-UHFFFAOYSA-N 311.183 3.150 10 10 DGCE Cc1cc(CC(=O)N=c2cc[nH]cc2F)c(C)n1-c1ccccc1 1527655123 HJVTXDLOOIJFPQ-UHFFFAOYSA-N 323.371 3.231 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N[C@@H](C1CCCC1)C1CCC1 1469364579 JWKLDKYVAHNDDC-SFHVURJKSA-N 303.402 3.115 10 10 DGCE Cn1cnc(/C=C/C(=O)N(Cc2ccsc2)c2cccnc2)c1 1527388953 HRMVTBRZBRPUKQ-SNAWJCMRSA-N 324.409 3.123 10 10 DGCE CC(C)c1ncsc1NC(=O)/C=C\c1ccc(O)c(O)c1 1468118418 SPGBOBXREHGOLO-XQRVVYSFSA-N 304.371 3.330 10 10 DGCE COc1ccc(N2CCN(C(=O)/C=C/C3CCCC3)CC2)cc1 1534018077 PCXPVRXSFDGUGI-IZZDOVSWSA-N 314.429 3.090 10 10 DGCE Cc1ccc2snc(C(=O)N3Cc4cccc(O)c4C3)c2c1 1471355609 NAMYVRXSYALVAR-UHFFFAOYSA-N 310.378 3.466 10 10 DGCE CCOC(=O)/C=C/c1ccc(NC(=O)c2cc(O)cs2)cc1 1471397682 ANHWENRIYIQQDF-VMPITWQZSA-N 317.366 3.282 10 10 DGCE C[C@@H](NC(=O)NCc1cc(Cl)ccc1O)c1cccc(O)c1 1564551167 JNAROLPRJABLKM-SNVBAGLBSA-N 320.776 3.312 10 10 DGCE CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](NC)c1ccccc1O 1928476609 LELXXNQLLXQIQR-IUODEOHRSA-N 308.422 3.204 10 10 DGCE CC(C)=CCNC(=O)N(C)Cc1ccc(N2CCCC2)cc1 1686107532 NVJCACWMRHSMOO-UHFFFAOYSA-N 301.434 3.394 10 10 DGCE OCC[C@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1O 159727917 YLAIUUROUUHQMG-GFCCVEGCSA-N 304.217 3.436 10 10 DGCE CCCC1=NN(CCC)C(=O)/C1=C/c1ccccc1[N+](=O)[O-] 1865678044 QJJSQUOJOSOLOM-ACCUITESSA-N 301.346 3.387 10 10 DGCE CN[C@@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccccc1O 1936969403 CDAYBWSWXPIRTI-ZFWWWQNUSA-N 320.433 3.442 10 10 DGCE Nc1ccc(OCC[S@](=O)Cc2ccccc2Cl)cc1 236374541 XLBWJVBHCJWRIQ-FQEVSTJZSA-N 309.818 3.250 10 10 DGCE CC(C)(C)OC(=O)NCC[C@@H](N)c1ccc(N2CCCC2)cc1 1977945729 PTYIPVNHNRMKRE-MRXNPFEDSA-N 319.449 3.201 10 10 DGCE CC[C@@H](Nc1cn(C)cn1)c1cc(Br)ccc1O 2028676226 VJQJNQNFFYEORC-LLVKDONJSA-N 310.195 3.451 10 10 DGCE CC(C)(F)[C@@H]1CCN(c2ccc(CN)cc2Br)C1 2028904812 KXVXDQHZDBIYNR-LLVKDONJSA-N 315.230 3.482 10 10 DGCE CN[C@@H](C)c1ccc(N2C[C@H]3C=C[C@H]2C3)c(Br)c1 2029373096 LWRINDFEPDRCDF-GVXVVHGQSA-N 307.235 3.494 10 10 DGCE O=S(=O)(CC1CCCCC1)Nc1ccc(O)cc1Cl 85205147 YRKJTNCVMBUZPM-UHFFFAOYSA-N 303.811 3.368 10 10 DGCE CCOCCN(CC)Cc1cc(Br)cc(F)c1O 715724780 LGRUGEPMSUWJIB-UHFFFAOYSA-N 320.202 3.152 10 10 DGCE CCN(C(=O)c1cnn2c(O)cc(C)nc12)c1cc(C)cc(C)c1 2063839002 CCGZINUHRNYIIC-UHFFFAOYSA-N 324.384 3.027 10 10 DGCE Cc1ccc(O)c(Cn2nc(-c3ccccc3)cc2C(=O)O)c1 2069905089 LOSKGGZAXOXSJK-UHFFFAOYSA-N 308.337 3.311 10 10 DGCE COc1ccc(O)c([C@H](C)n2nc(C3CCCC3)cc2N)c1 2070199641 GEWJBPVUFVIHPX-NSHDSACASA-N 301.390 3.446 10 10 DGCE CCCN[C@@H](CC1OCCO1)c1ccc(N(CC)CC)cc1 2106830347 FYVFEHTUXCRQAT-KRWDZBQOSA-N 306.450 3.337 10 10 DGCE CC[C@H]1CCN(Cc2c(Br)ccc(OC)c2O)C1 2220489954 VWRHDEATECFHAX-JTQLQIEISA-N 314.223 3.395 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NC(=O)c1c(Cl)cncc1Cl 2227697820 UYWSIPQFKQBLOP-DTWKUNHWSA-N 300.149 3.350 10 10 DGCE Cc1cc(O)cc(C)c1NS(=O)(=O)[C@H]1CCCC[C@H]1F 2239721060 BKSWDQXJUCIONW-OLZOCXBDSA-N 301.383 3.031 10 10 DGCE CCCc1cc(CO)cc(NCc2cnc(SC)s2)n1 2284555448 HQFRSIDDTPLBSA-UHFFFAOYSA-N 309.460 3.317 10 10 DGCE CSc1ncc(CNc2cc(C(=O)O)ncc2Cl)s1 2336423089 LOJSZNLMFLOENZ-UHFFFAOYSA-N 315.807 3.224 10 10 DGCE CCC[C@H](CC)NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 108705624 QLWGSYHZMVWTIN-YRYLYKBFSA-N 316.445 3.231 10 10 DGCE CC[C@@H]1COCCN1c1ccc([C@H](C)N)cc1Br 103961749 RCTTXNSJOBEKRC-CMPLNLGQSA-N 313.239 3.084 10 10 DGCE Oc1c(Cl)cccc1CN1CC[C@@H](CNc2ccccn2)C1 179987203 BMSKWFKKLNPEHG-ZDUSSCGKSA-N 317.820 3.375 10 10 DGCE C[C@H]1C[C@]1(N)c1cc(Br)cc(Br)c1O 1951731786 UVMVRUZZAVDJGA-XUOSJQGZSA-N 321.012 3.111 10 10 DGCE Cc1ccc(F)c([C@H](NCCCN=[N+]=[N-])C(=O)O)c1Cl 2360756509 GJQWBPASDGLGRL-NSHDSACASA-N 300.721 3.203 10 10 DGCE CN1Cc2cc(NCc3ccc(N(C)C)cc3)ccc2NC1=O 187481636 SGDOHAGKCZORCS-UHFFFAOYSA-N 310.401 3.342 10 10 DGCE CSC[C@H](C)N(C)Cc1cc(Cl)cc(C(C)=O)c1O 122834377 BHUKHZXTWPZWRR-VIFPVBQESA-N 301.839 3.432 10 10 DGCE CC(=O)NCCCN(C)c1ccc(OCc2ccccc2)cc1 189644861 XXZNJNMZBQVUHA-UHFFFAOYSA-N 312.413 3.228 10 10 DGCE COC(=O)[C@@]1(C)CCCN1Cc1ccc(N2CCCCC2)cc1 189991818 JJVJCXZFGHKROJ-LJQANCHMSA-N 316.445 3.204 10 10 DGCE CCN[C@H](C)c1ccc(N2C[C@@H](N(C)C)[C@H](C)C2)cc1Cl 227225967 BHSBINRFUWOUQS-PBFPGSCMSA-N 309.885 3.397 10 10 DGCE Nc1ccc(NC(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)cc1 40166134 RNNQVTZVFJLQDT-UHFFFAOYSA-N 320.274 3.416 10 10 DGCE CC[C@H](C)[C@@H]1CN(c2cc(Cl)c(OC)cc2OC)CCN1 86129518 BUUMYXCWPRDURB-AAEUAGOBSA-N 312.841 3.182 10 10 DGCE CC(C)C[C@](C)(O)CNCc1cccc(Br)c1O 90267862 AIIKBCLWJDDQHC-AWEZNQCLSA-N 316.239 3.041 10 10 DGCE CCN(C)c1ccc([C@@H](C)NC[C@H](C)Cn2ccnc2)cc1 247029546 NLQJHWHQOYIDOW-JKSUJKDBSA-N 300.450 3.326 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 246665763 DVJQSJGMQTUENF-LUVWLHFXSA-N 311.425 3.179 10 10 DGCE CC[S@](=O)[C@@H]1CCC[C@@H](N[C@H](C)c2ccc(C)cc2O)C1 248485991 FJASGGPQGYOTMG-JRMKUOIOSA-N 309.475 3.431 10 10 DGCE Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(O)c(F)c1 1257614921 OZAUPIVNSGNGIH-UHFFFAOYSA-N 315.753 3.294 10 10 DGCE COc1ccc(F)cc1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O 275373782 WFXJHQGIHSALAV-JTQLQIEISA-N 320.320 3.299 10 10 DGCE COCC[C@H](COC)N(C)[C@H](C)c1cc(Cl)ccc1O 2165962315 ZGIWIRFHAZOKHD-DGCLKSJQSA-N 301.814 3.090 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)[C@@H](OC)C2CCC2)cc1 819973692 ARRQSSNPUJWAHV-SFHVURJKSA-N 318.461 3.306 10 10 DGCE C[C@H](NC1COCCOC1)c1ccc(N2CCCCCC2)cc1 813878711 FPJIIGZPBNYKKI-INIZCTEOSA-N 318.461 3.133 10 10 DGCE C[C@H](N[C@@H]1CCNC[C@@H]1C)c1ccc(N2CCCCC2)cc1 817971197 KKEHYUWFIWEFMY-TXPKVOOTSA-N 301.478 3.326 10 10 DGCE CN(C)c1ccc(/C=C\CNC[C@H](C(=O)O)c2ccccc2)cc1 904057750 AMMFBTBASQSKMA-RURPWVQCSA-N 324.424 3.224 10 10 DGCE CC[C@H](N[C@@H](CC)[C@H](O)C(F)F)c1cc(Cl)ccc1O 834875953 WDGYEXUAPZTVET-GVXVVHGQSA-N 307.768 3.491 10 10 DGCE Nc1ccc(CCNC(=O)NCC2CC(c3ccccc3)C2)cc1 841905874 UCDULYWPTAPXIZ-UHFFFAOYSA-N 323.440 3.304 10 10 DGCE Oc1cc2c(cc1CN1CCC[C@H](OC3CCC3)C1)CCC2 848497768 QEBURJRKEUJZRC-SFHVURJKSA-N 301.430 3.414 10 10 DGCE CC[C@H]1CCCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C1 915212882 OYDFWKATPYRMSV-JWJUJFCLSA-N 318.373 3.407 10 10 DGCE CN1CCCc2cc(CN[C@@H](C3CCC3)[C@H]3CCOC3)ccc21 924870942 MNWLDVXWGQLWMV-ICSRJNTNSA-N 314.473 3.364 10 10 DGCE COc1ccc(N(C)Cc2ccc(Br)cn2)cc1 168406057 ROUYZLYLXYOSMC-UHFFFAOYSA-N 307.191 3.489 10 10 DGCE CN(C)c1ccc([C@H](NN)c2ccc(Br)cc2)cc1 688615037 QJHSDTYJLUYZGV-OAHLLOKOSA-N 320.234 3.068 10 10 DGCE Nc1cccc(Br)c1N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 712926882 VCENXZUHKFEEAI-FZQKWOKYSA-N 323.234 3.401 10 10 DGCE Nc1ccc(CN2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc1 687232714 ATTUDXVOQXKLSV-BGYRXZFFSA-N 307.441 3.118 10 10 DGCE CC(C)(C)OC(=O)N1CCN(c2ccc(N)cc2)C(C)(C)C1 1959564296 FBBTVFGHJIXONK-UHFFFAOYSA-N 305.422 3.105 10 10 DGCE Cc1nnc(N2CC[C@@H](C)C2)n1CCCSc1nccs1 1304817069 ITBOQPWLDGBKAD-LLVKDONJSA-N 323.491 3.072 10 10 DGCE CN(C)c1ccc(-c2ccc3c(N)c(C(=O)O)sc3n2)cc1 1084662190 FCEWFAKCJZEVMT-UHFFFAOYSA-N 313.382 3.310 10 10 DGCE C[C@H](NC(=O)c1cc(-n2cccc2)ccn1)c1ccccc1O 1171730574 PBYKKPZCNXGMOR-ZDUSSCGKSA-N 307.353 3.069 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CC[C@@H]2C)cc1 1326882385 LBYKLOYMJQUXCD-WMLDXEAASA-N 303.450 3.473 10 10 DGCE Cc1cc(=NCc2c(O)cccc2F)nc(-c2cccs2)[nH]1 1187676811 FQLRRULSSPJDDR-UHFFFAOYSA-N 315.373 3.392 10 10 DGCE CCN(Cc1ccccc1)C(=O)CN1CCC(CN=[N+]=[N-])CC1 1912152593 WDFSWPBKMOQDEQ-UHFFFAOYSA-N 315.421 3.057 10 10 DGCE Cc1ccc(C=CC(=O)NCCN=[N+]=[N-])c(Br)c1 1912127276 CKYOELNHGLLQQP-UHFFFAOYSA-N 309.167 3.197 10 10 DGCE CCNC(=O)Nc1c(C)cccc1NC(=O)c1cc(O)cs1 1468779929 KNXAXHQBFWVOCS-UHFFFAOYSA-N 319.386 3.156 10 10 DGCE CN1CCCc2[nH]c3ccc(C(=O)Nc4ccc(N)cc4)cc3c21 212478850 MSISRSRRJRGYPJ-UHFFFAOYSA-N 320.396 3.385 10 10 DGCE Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CC[C@H](C)C1 1612537265 AUESHYQKWAJDKV-DZGCQCFKSA-N 314.433 3.365 10 10 DGCE Cc1ccc(O)c(CNC(=O)/C=C\c2ccnc(Cl)c2)c1 1470254367 FMZZYDRWIQUSFA-HYXAFXHYSA-N 302.761 3.079 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)Cc1ccc(O)cc1 1540487401 XNBAOTJFZGVEBJ-UHFFFAOYSA-N 324.424 3.194 10 10 DGCE CCC[C@H](C)C(=O)NCC1(NCc2ccc(OC)c(C)c2)CC1 1716677537 BEYMEXDJYWXDOI-AWEZNQCLSA-N 318.461 3.178 10 10 DGCE CCCCO[C@H]1C[C@@H](NC(=O)c2ccc(C)c(O)c2O)C1(C)C 1629523459 YIXHBJDCHGEUKT-KGLIPLIRSA-N 321.417 3.120 10 10 DGCE C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)c1ccccc1 1638191063 BKIQNINETHCDTD-GFCCVEGCSA-N 310.357 3.383 10 10 DGCE Cc1ccc(CC(=O)NCc2ccc3cccnc3c2O)cc1 1630526020 AZRHUIQUDXODQU-UHFFFAOYSA-N 306.365 3.108 10 10 DGCE C[C@@H](Nc1csnc1Br)c1c(O)cccc1O 1926858076 DWRSBDPKPLDHBK-ZCFIWIBFSA-N 315.192 3.490 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)c1ccc2nccnc2n1 1639227471 YAIHUGSSVKROPA-UHFFFAOYSA-N 319.412 3.261 10 10 DGCE COc1cccc([C@H](C)C(=O)NCc2cccc(Cl)c2O)c1 1640402610 WGJKFDUYCIUFCM-NSHDSACASA-N 319.788 3.474 10 10 DGCE C[C@H]1[C@@H](NCc2cc(Br)cc(F)c2O)C1(F)F 1948221303 OMUXPXYKGNLLKX-XUOSJQGZSA-N 310.113 3.037 10 10 DGCE Cc1ccc(CCC(=O)NCc2ccc(O)cc2O)cc1Cl 1643100973 QNIUSYAOPLSPDK-UHFFFAOYSA-N 319.788 3.309 10 10 DGCE CC(C)COc1cccc(C(=O)NCc2c(O)cccc2F)c1 1596906605 HISCTFWMENWVRC-UHFFFAOYSA-N 317.360 3.496 10 10 DGCE CSCCCCNC(=O)NCCCSc1nccs1 153737766 PZHBVKYOSYBFKG-UHFFFAOYSA-N 319.521 3.068 10 10 DGCE Cc1ccc(C)c(OCC(=O)N(c2ccc(N)cc2)C2CC2)c1 1857926841 DIXFMDIHJRIXEM-UHFFFAOYSA-N 310.397 3.460 10 10 DGCE CC(C)(C)OC(=O)N[C@H]([C@H](N)c1ccccc1O)C(C)(C)F 1962150781 MAFPWRVXQFHYRV-CHWSQXEVSA-N 312.385 3.033 10 10 DGCE c1cc(N2CCCC2)ccc1CNC1CCN(CC2CC2)CC1 1168353824 VYRMRVGMOFZKOC-UHFFFAOYSA-N 313.489 3.251 10 10 DGCE CCOC(=O)[C@@](CCCSc1nccs1)(NC)C(C)C 2144122265 UNEKYDLBHHIMGK-AWEZNQCLSA-N 316.492 3.193 10 10 DGCE C[C@H](O)c1ccc(N2CCC[C@@H]2CF)c(Br)c1 2004455639 PLSRAXMYVKRFAG-GXSJLCMTSA-N 302.187 3.441 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]([C@H](N)c2ccccc2O)C1(C)C 1976579152 NODHXOUVJNZNRY-DZGCQCFKSA-N 320.433 3.428 10 10 DGCE C[C@@H](NCC1(Br)CCC1)c1c(O)cccc1O 2002766641 GAEXSUOYRPUXNJ-SECBINFHSA-N 300.196 3.066 10 10 DGCE CC1(C)CC[C@@H](Sc2nccs2)C[C@@]1(CO)NC1CC1 2155410701 JLQCMCVQYULEGC-DOMZBBRYSA-N 312.504 3.297 10 10 DGCE C[C@H](O)c1ccc(N(C)C[C@H]2C[C@H]2F)c(Br)c1 2014705545 VYJKKIFTANIOQR-MKPLZMMCSA-N 302.187 3.297 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@H]3C[C@H]2[C@@H]2C[C@H]32)c(Br)c1 2041531840 CTWIJFZGOBJDKG-WSWLIKMPSA-N 307.235 3.313 10 10 DGCE CC[C@@H]1CN(c2cc(Cl)c(CN)cc2F)C[C@@H](CC)O1 2177376114 BBGMZUBTUNTTMH-VXGBXAGGSA-N 300.805 3.332 10 10 DGCE Brc1cc(N2C[C@H]3C[C@@H]3C2)ccc1CNC1CC1 379547647 HIVRAITVQKFZPV-VXGBXAGGSA-N 307.235 3.157 10 10 DGCE COc1cnn(Cc2cc(C(F)(F)F)ccc2O)c1Cl 2070300775 JYRBSHQFDLAADU-UHFFFAOYSA-N 306.671 3.318 10 10 DGCE C[C@@H](N)c1ccc(N2CCS[C@@H]3COCC[C@@H]32)c(Cl)c1 2170487713 SCLHNDVWFUFKTP-WKPIXPDZSA-N 312.866 3.070 10 10 DGCE CCc1nn([C@H](CC)c2cc(C)c(C)cc2O)c(N)c1C(=O)O 2079935838 POCYNMCGHXUIQG-CYBMUJFWSA-N 317.389 3.048 10 10 DGCE CC[C@H](c1cc(C)c(C)cc1O)n1nc(C2CC2)c(N)c1N 2079982323 VEHBICXKWVPLMI-CYBMUJFWSA-N 300.406 3.247 10 10 DGCE Cc1cc(O)c([C@H](C)n2nc(C(C)(C)C)c(CO)c2N)cc1C 2080021891 BUXXRPPUUZWFHI-LBPRGKRZSA-N 317.433 3.187 10 10 DGCE C[C@H](N)c1ccc(N2C[C@@H]3C[C@@H]3[C@H]3C[C@H]32)c(Br)c1 2053731835 YQPHRBFMDJCPND-YLYWLHNCSA-N 307.235 3.313 10 10 DGCE Nc1ccc(Oc2cc(Br)nc(C3CC3)n2)cc1 2065472714 SGRWFXBBLJCSEV-UHFFFAOYSA-N 306.163 3.491 10 10 DGCE CCCN1C[C@@H]2C[C@H]1CN2Cc1cc(Cl)cc(Cl)c1O 2187557449 IZYNTWWMMGGBLJ-STQMWFEESA-N 315.244 3.368 10 10 DGCE Nc1cccc(Br)c1N[C@@H](CO)[C@H]1CC=CCC1 2075333639 GGFVDNYZUUICRW-GWCFXTLKSA-N 311.223 3.160 10 10 DGCE Oc1cc(Br)ccc1CNc1ccc2nccn2c1 2103635384 APRDBMYLEJNXHH-UHFFFAOYSA-N 318.174 3.415 10 10 DGCE Cc1cc([C@H](C)N)ccc1N1C[C@H]2C[C@H]1CN2Cc1ccccc1 2217375543 GGLAJELLCYMJIJ-DBVUQKKJSA-N 321.468 3.478 10 10 DGCE C[C@H]1CCC[C@H](CN(C)c2cc(Cl)c(CN)cc2F)O1 2235222535 HQIHXNTXPKZPSI-CMPLNLGQSA-N 300.805 3.332 10 10 DGCE Oc1ccc(Br)cc1CN[C@@H]1CCC[C@@H]1CF 2251062119 WRVZLUFZRBOLPP-BXKDBHETSA-N 302.187 3.383 10 10 DGCE COc1cccc(CNC(=O)C=CSc2ccccc2)c1O 2301549644 FFLIYBNQLQYZFM-UHFFFAOYSA-N 315.394 3.323 10 10 DGCE Cc1ccc(CN(C)C[C@H]2C[C@H]2F)c(O)c1Br 2307474833 XVQZEBMVPFLHFP-GHMZBOCLSA-N 302.187 3.253 10 10 DGCE CO[C@@H]1C[C@@H]2C[C@H]1C[C@H]2Nc1c(N)cccc1Br 2308687262 CELCSYKLALKFHX-RBJBARPLSA-N 311.223 3.257 10 10 DGCE CCCN1N=C(CC)C(=Cc2cccc(OC)c2OC)C1=O 2332131672 RAGLQDDNEDPJKJ-UHFFFAOYSA-N 302.374 3.105 10 10 DGCE CCCN1N=C(C)C(=Cc2ccc(Br)cc2)C1=O 2332147703 SEHXXLVHPXIMOS-UHFFFAOYSA-N 307.191 3.461 10 10 DGCE CCOC(=O)c1cnc(Sc2nnc(SC)s2)s1 310890421 YFZPBIWYUAQYFD-UHFFFAOYSA-N 319.458 3.044 10 10 DGCE CN(Cc1ccc(N2CCOCC2)cc1)c1ccnc(Cl)c1 301638279 XPSHMVQFGPRBSW-UHFFFAOYSA-N 317.820 3.208 10 10 DGCE C[C@H](Nc1ccc(-n2nccn2)cc1)c1ccc(F)c(F)c1O 187891982 FFAFYVWWXBOVGQ-JTQLQIEISA-N 316.311 3.424 10 10 DGCE COC(=O)c1cc(Cl)ccc1NCc1ccc(O)c(O)c1 36941256 FCVOFHXSNFTFAX-UHFFFAOYSA-N 307.733 3.150 10 10 DGCE Cc1cc(Cl)cc(CN2CC[C@H](c3cnn(C)c3)C2)c1O 180331697 OZBITVGYLFRLFF-LBPRGKRZSA-N 305.809 3.077 10 10 DGCE C[C@@H](OCc1ccc(Cl)cc1)C(=O)Nc1ccc(N)cc1 87092625 HAHTVTKNPFSHPV-LLVKDONJSA-N 304.777 3.466 10 10 DGCE COc1ccc(CNC2CC2)cc1CO[C@@H](C)C(F)(F)F 90672618 YBTMRXLTRRWXRY-JTQLQIEISA-N 303.324 3.415 10 10 DGCE COC(=O)[C@H](NCCN=[N+]=[N-])c1cc(Cl)cc(Cl)c1 90257160 RVJMMDWMWHUZTK-SNVBAGLBSA-N 303.149 3.107 10 10 DGCE Nc1ccc(CCNC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)cc1 237941584 DSXAJIKCWXVDSJ-MOPGFXCFSA-N 324.424 3.095 10 10 DGCE CN[C@H]1C(=O)Nc2cc(N3CC[C@@H](C(C)C)C3)c(Cl)cc21 230264745 HALDTTUESJZPIY-MEBBXXQBSA-N 307.825 3.035 10 10 DGCE CCN(CC)c1ccc(CN2CCC(N(C)C)CC2)cc1F 91670092 PUYDUBPJQWAGEL-UHFFFAOYSA-N 307.457 3.198 10 10 DGCE CC(=O)N(C(=O)N(Cc1ccccc1)C1CC1)c1ccc(N)cc1 243456122 NGDFJWHJCOEZBR-UHFFFAOYSA-N 323.396 3.406 10 10 DGCE C[C@H](NC[C@@H](C)N1CCC[C@@H](C)C1)c1ccc(F)c(F)c1O 248924975 LJPUBNQJFQUGFA-UPJWGTAASA-N 312.404 3.441 10 10 DGCE C[C@H](NCC[C@@H](C)[S@](C)=O)c1ccc2ccccc2c1O 252803389 BISOSPXBFPINOB-BHVCSQLQSA-N 305.443 3.353 10 10 DGCE CCN(CC)c1ccc(CN2CCn3cc(C)nc3C2)cc1F 359899523 OKZQTTZRWVGGRY-UHFFFAOYSA-N 316.424 3.193 10 10 DGCE CC(=O)C(=O)COC(=O)CCCCc1ccc(C(C)(C)C)cc1 808513242 YQMXFPMOAVMRIR-UHFFFAOYSA-N 318.413 3.398 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCC[C@H]2OC)cc1 815052406 NMHYTOPSASRJFT-QZTJIDSGSA-N 318.461 3.354 10 10 DGCE Cc1cnccc1/C=C\C(=O)N(C)Cc1ccc(N(C)C)cc1 822265059 HYRIARJIVUTBSE-YFHOEESVSA-N 309.413 3.128 10 10 DGCE C[C@H](CNC(=O)c1cc(O)cs1)c1nc2ccccc2o1 746700922 CSOUNOBVLVWVAF-SECBINFHSA-N 302.355 3.128 10 10 DGCE Cc1cc(O)c(CNCCCn2nc(C)cc2C)c(Cl)c1 840877026 RXYYDMJNGHOZBT-UHFFFAOYSA-N 307.825 3.347 10 10 DGCE CC[C@H](NC[C@](C)(CO)OC)c1ccc(Cl)c(Cl)c1O 848557606 GGGAYDPACDCLJT-SMDDNHRTSA-N 322.232 3.137 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCC[C@H]([C@@H]3CCCN3)C2)cc1 843044013 FYGKEOANWVZRNV-YXGQRWQYSA-N 313.489 3.230 10 10 DGCE FC(F)(F)[C@@H]1CCC[C@@H](CNCc2ccc3c(c2)CCO3)O1 922698256 WPXCSGGFJVZAIY-ZFWWWQNUSA-N 315.335 3.211 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@@H](c2ccccc2F)[C@@H](C)O)c1 846013047 JIGIYTPTGDVCGV-VNBZBWLYSA-N 319.376 3.313 10 10 DGCE Clc1ccnc2c1CC[C@@H]2NCc1ccc2c(c1)CCO2 924901355 SEPFAXNJRPFIRV-HNNXBMFYSA-N 300.789 3.447 10 10 DGCE CCOC(=O)C1=CC[C@@H](N[C@@H](C)c2ccc(N(C)CC)cc2)C1 858505330 IMBFULPCUQJCQI-WMLDXEAASA-N 316.445 3.445 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)C[C@@H]3C=CCCC3)C2)cc1 855228197 XFIKLFSTHOXMPC-HZPDHXFCSA-N 314.429 3.137 10 10 DGCE COc1ccc(N2CC[C@H](N[C@@H](C)c3cncc(F)c3)C2)cc1 850347333 QJWXYMCDMPZMCL-BBRMVZONSA-N 315.392 3.159 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCOC[C@@H]2C)cc1 766372916 HBKKRISNXXUWAP-MAUKXSAKSA-N 318.461 3.164 10 10 DGCE C[C@@H](NC(=O)NCC[C@@]1(C)C[C@@]1(F)Cl)c1ccccc1O 868742850 DSSMXMDXTMCUMU-ONERCXAPSA-N 314.788 3.457 10 10 DGCE O=C(COc1ccc2c(c1)CCCC2)N1Cc2cccc(O)c2C1 871202559 AQYANUYQCKKZLU-UHFFFAOYSA-N 323.392 3.192 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)c2cccnc2C(F)F)c1 896165947 ZTBXPHZZKOQDEU-SECBINFHSA-N 322.311 3.224 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCC[C@@H]2OC)cc1 1135946000 AKEOIPMBOPTJEA-ROUUACIJSA-N 318.461 3.306 10 10 DGCE CSC[C@@H]1CCN(c2ccc(CN)cc2C(F)(F)F)C1 706666459 DPWRHDHWZHUQFM-LLVKDONJSA-N 304.381 3.353 10 10 DGCE Cc1cn(C2CCCCC2)nc1NC(=O)c1cccc(O)c1O 790927946 PNMXPMGTAVBSPB-UHFFFAOYSA-N 315.373 3.360 10 10 DGCE Cc1cnccc1CNCc1ccc(Br)cc1O 691442522 FNCBKLNGFGRWGD-UHFFFAOYSA-N 307.191 3.148 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](Nc3ccc(N)cc3)C[C@H]21 1959360273 ANLJDMZWQBSKTM-QLFBSQMISA-N 303.406 3.079 10 10 DGCE C[C@@H](NC(=O)c1ccc(-n2ccnc2)cc1)c1ccccc1O 1302530687 WHXKANLCIIZCQH-CYBMUJFWSA-N 307.353 3.069 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC(=O)[C@H]2C)cc1 1157961031 ABNUSKOBHYJZPT-OAHLLOKOSA-N 310.397 3.288 10 10 DGCE c1ccc(-c2n[nH]cc2CNCc2ccc3c(c2)CCO3)cc1 1177586786 KDWJOJNDBHSMHL-UHFFFAOYSA-N 305.381 3.301 10 10 DGCE CCCOc1cc(C)ccc1CNC(=O)c1cc(O)cs1 1445514916 FCDCGDDCYXOKAK-UHFFFAOYSA-N 305.399 3.481 10 10 DGCE COc1ccc(N2CCN(C(=O)/C=C\C3CCCC3)CC2)cc1 1534018078 PCXPVRXSFDGUGI-WDZFZDKYSA-N 314.429 3.090 10 10 DGCE CC[C@H](C)NCc1ccc(N(CC)CCO)c(OC(C)C)c1 212129064 FKMBZDHALJFVPJ-HNNXBMFYSA-N 308.466 3.181 10 10 DGCE CN(Cc1ccncc1F)c1ccc(CN)c(Br)c1 2138225912 ANPHQBAOICCEBU-UHFFFAOYSA-N 324.197 3.078 10 10 DGCE C[C@@H](NCC(=O)Nc1ccc(F)cc1Cl)c1ccccc1O 1654532631 YHGGWXXBEKGZBY-SNVBAGLBSA-N 322.767 3.474 10 10 DGCE C[C@H](NC(=O)c1ncc(C(F)(F)F)s1)c1ccccc1O 1587451317 POISDLIGPNSJNL-ZETCQYMHSA-N 316.304 3.359 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)C[C@H]2CCC[C@H]2C)cc1 1585450346 UEXIPNKCMYLVAH-HZPDHXFCSA-N 318.461 3.416 10 10 DGCE CN1C=CC=C/C1=C1/SC(=S)N(Cc2ccccc2)C1=O 988773 SOEBRWNWZYYKDJ-YPKPFQOOSA-N 314.435 3.274 10 10 DGCE CCN(C)c1ccc(CN2CCC(C(=O)OC(C)C)CC2)cc1 1660224870 VNYYXEPDYWRKAO-UHFFFAOYSA-N 318.461 3.306 10 10 DGCE Cc1ccccc1-n1ncc(C(=O)Nc2ccc(N)cc2)c1C 160350550 WXFGISXWUKMTMY-UHFFFAOYSA-N 306.369 3.324 10 10 DGCE CCCC1=NN(C)C(=O)/C1=C/c1cccc(Br)c1 1865656780 RNPRMHQLYIQWLD-FMIVXFBMSA-N 307.191 3.461 10 10 DGCE CC(C)N[C@](CO)(CSc1nccs1)CC1(C)CC1 2142899433 IFSXNIPQPKPSAX-CQSZACIVSA-N 300.493 3.155 10 10 DGCE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1cscn1 1889893311 VNFTZCMPOIKNED-ZFWWWQNUSA-N 313.426 3.062 10 10 DGCE Nc1ccc(N(C(=O)c2ccc(Br)o2)C2CC2)cc1 1857926862 FMLMPCPJVDWIEV-UHFFFAOYSA-N 321.174 3.434 10 10 DGCE CN(CC1CC(F)C1)c1ccc(CO)c(Br)c1 1944070841 GPVCBDQCJFTSPR-UHFFFAOYSA-N 302.187 3.126 10 10 DGCE CC12CC(CNCc3cc(Cl)cc(Cl)c3O)(CO1)C2 1966072465 JFCAVCRONMQXQS-UHFFFAOYSA-N 302.201 3.358 10 10 DGCE CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H]1CN(CCCN=[N+]=[N-])C2 1982247256 FUKQUGUYECLJFJ-CZUORRHYSA-N 323.441 3.314 10 10 DGCE CC(C)(C)OC(=O)NC[C@H]1CN(CCCN=[N+]=[N-])C2(CCC2)C1 1982245668 KOVOCLMOYPPPCE-ZDUSSCGKSA-N 323.441 3.456 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1C[C@H](CC[C@@H](N)c2ccccc2O)C1 1985718368 LMSKTSMOJCAKDI-UMVBOHGHSA-N 320.433 3.476 10 10 DGCE Cc1cccc(O)c1CNCC1(N(C)C(=O)OC(C)(C)C)CC1 1988071138 OFDPJRQKTODGHV-UHFFFAOYSA-N 320.433 3.190 10 10 DGCE CC(C)(C)OC(=O)N1CCC12CC(COc1ccc(N)cc1)C2 1992465375 NESNPVUKKMBTRC-UHFFFAOYSA-N 318.417 3.437 10 10 DGCE C[C@H]1CN(Cc2ccc(Br)cc2O)[C@@H](C)CCO1 2031608225 RYRMMOIOEJDNAK-QWRGUYRKSA-N 314.223 3.154 10 10 DGCE C[C@@H]1CCN(c2ccc(CN)c(Br)c2F)C[C@H]1F 2034816979 WKESALIPBALXBE-PSASIEDQSA-N 319.193 3.231 10 10 DGCE CC1(C)CN(c2ccc(CO)cc2Br)CC1(F)F 2040572717 CFBJSWFOBYMZFJ-UHFFFAOYSA-N 320.177 3.423 10 10 DGCE CO[C@@H]1CC(F)(F)CC[C@H]1NCc1cccc(Cl)c1O 2162094755 RWWZOYFAKDLECJ-VXGBXAGGSA-N 305.752 3.338 10 10 DGCE CCO[C@@H]1CCN(c2ccc([C@@H](C)O)c(Br)c2)C1 701706736 KBARNRXPCFNRRL-ZYHUDNBSSA-N 314.223 3.118 10 10 DGCE Cc1occc1-c1cc(N)n(-c2cncc(Br)c2)n1 388676230 QMEYMLUCQRZFHG-UHFFFAOYSA-N 319.162 3.180 10 10 DGCE CN(CCCN=[N+]=[N-])C[C@H](O)c1ccc(Br)cc1 2050511465 UJCKPCMURJZEBO-LBPRGKRZSA-N 313.199 3.115 10 10 DGCE COc1ccc(O)c(CNCc2csc(C(F)F)n2)c1 2188738703 WAMSRCPBRNBCQA-UHFFFAOYSA-N 300.330 3.085 10 10 DGCE O=S(=O)(Nc1cc(Cl)c(O)c(Cl)c1)C1CC=CC1 2068642491 LRONBNXHYXTHIX-UHFFFAOYSA-N 308.186 3.159 10 10 DGCE CCNCc1ccc(N(C)Cc2ccon2)cc1Br 2104166349 DCANAJHCFFVLNU-UHFFFAOYSA-N 324.222 3.183 10 10 DGCE Cc1cnc(Br)c(CN(C)c2ccc(N)cc2)c1 2085947498 BXGZJXGZSFLWHD-UHFFFAOYSA-N 306.207 3.371 10 10 DGCE CN[C@H](c1ccccc1O)c1cccc(OC)c1Br 2107909190 XHIPGVBTSCXJFZ-OAHLLOKOSA-N 322.202 3.472 10 10 DGCE CC(C)(O)CN(Cc1ccccc1)c1ccc2c(c1)OCCO2 2210885089 GEMRCLDOGHQYGN-UHFFFAOYSA-N 313.397 3.235 10 10 DGCE CN(C)c1ccc(OCc2cc(Br)ccn2)cc1 2221885599 RSDWRLUKYKTTFM-UHFFFAOYSA-N 307.191 3.489 10 10 DGCE COc1ccc(CNCC(C)C)c(Sc2nccs2)n1 2239879416 ARXFMNUITNGFQM-UHFFFAOYSA-N 309.460 3.444 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@@H](F)[C@@H]1CCOC1 2229990709 VJZLSDLPDDRXMI-PRHODGIISA-N 308.180 3.163 10 10 DGCE CCc1cnccc1CNCc1c(O)cccc1Br 2340240147 YQAPIPOWVQWAHF-UHFFFAOYSA-N 321.218 3.402 10 10 DGCE Cc1c(NC(=O)c2cc(C)n(-c3ccccc3)c2C)cnn1C 177253939 BDGWIJICCHKGQR-UHFFFAOYSA-N 308.385 3.388 10 10 DGCE Cc1ccc([C@H](C)N[C@@H]2CCN(c3ccccc3)C2=O)c(O)c1 185813053 PCDJLYRPXNXEBR-WMLDXEAASA-N 310.397 3.157 10 10 DGCE COc1ccc(CN(C)Cc2cnn(-c3ccccc3)c2)c(O)c1 121362121 FVKXSANQENETTN-UHFFFAOYSA-N 323.396 3.219 10 10 DGCE CN(Cc1csc(N(C)C2CC2)n1)c1ccc2c(c1)OCO2 121268501 FASJPBJZQGYDRC-UHFFFAOYSA-N 317.414 3.107 10 10 DGCE CC(C)c1nnc2n1CCN(Cc1cc(Cl)ccc1O)[C@@H]2C 188450038 GXIBMOISVCKNFH-LLVKDONJSA-N 320.824 3.337 10 10 DGCE CCCN[C@](CCC1CC1)(CSc1nccs1)C(=O)O 2366634906 PXYATZUNTFMNPS-CQSZACIVSA-N 314.476 3.248 10 10 DGCE CCO[C@H]1C[C@H]1COC(=O)c1cc(C)n(-c2ccccn2)c1C 193219098 WSRAZOPMHQSUQZ-HOCLYGCPSA-N 314.385 3.071 10 10 DGCE Nc1ccc(OCC(=O)OCc2c(F)cccc2Cl)cc1 49347519 ZBBDBQKJWSGKGE-UHFFFAOYSA-N 309.724 3.184 10 10 DGCE COc1ccc(N(C)C(=O)/C=C\c2cn(C)c3ccccc23)cn1 255865251 OUKQANQJIGRWOL-FLIBITNWSA-N 321.380 3.258 10 10 DGCE COc1cccc(CNC2(c3nc(C)cs3)CCC2)c1O 263658699 GVHYZYDFFHAVHJ-UHFFFAOYSA-N 304.415 3.335 10 10 DGCE Cc1cc(Br)c(O)c(CN[C@H]2CSC2(C)C)c1 801735293 JDTPXFVEBKWSLK-NSHDSACASA-N 316.264 3.447 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(CC)cc1 808094818 FPFNQYXRHALNLX-UHFFFAOYSA-N 304.386 3.370 10 10 DGCE C[C@@H](O)c1ccc(N2CC[C@@H]3C[C@@]3(F)C2)c(Br)c1 2222684285 CJEQQWRLDBTDJW-GLXFQSAKSA-N 314.198 3.441 10 10 DGCE CC(C)[C@@](C)(CO)NCc1ccc(N(C)C)cc1C(F)(F)F 811516623 YLBKAYHZKIFZON-OAHLLOKOSA-N 318.383 3.268 10 10 DGCE COc1ccc(NC(=S)NNc2ccccc2C)cc1F 726434697 SCYZBSFOGLBRAB-UHFFFAOYSA-N 305.378 3.456 10 10 DGCE CCCN(CCC)c1ccc(CN(C)CC2CN(C)C2)cc1 827126181 XCBUEUWKVHHJBZ-UHFFFAOYSA-N 303.494 3.306 10 10 DGCE C[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCO1 908210740 CKVOHPZBRBXMAB-PELKAZGASA-N 318.200 3.130 10 10 DGCE COc1c([N+](=O)[O-])ccc(CNC2(C3CCC3)CCC2)c1O 839185815 AZKBVLKDKIJOFE-UHFFFAOYSA-N 306.362 3.121 10 10 DGCE COc1cc(OC)cc(N(C)C(=O)/C=C\c2ccc(C)nc2)c1 492035286 WFXCONIFRNOHJJ-FPLPWBNLSA-N 312.369 3.083 10 10 DGCE CCN(CC)c1ccc(CNC(=O)CCCSC)cc1F 736078845 YRDPZKREZYNSFF-UHFFFAOYSA-N 312.454 3.431 10 10 DGCE C[C@@H](Cc1ccco1)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 832437279 YPKIBGPDXZRLBI-KBPBESRZSA-N 300.402 3.402 10 10 DGCE C[C@H]1CC[C@@H](C)CN1C(=O)NCc1ccc2c(c1)CCCN2C 745788451 KWRZHZXDKCEBBT-CABCVRRESA-N 315.461 3.399 10 10 DGCE COCCN(Cc1cccnc1)Cc1c(O)cc(C)cc1Cl 840948369 GSRUUIKHVKLGJD-UHFFFAOYSA-N 320.820 3.398 10 10 DGCE CC(C)(CC(=O)NCc1ccc(O)cc1O)CC(F)(F)F 910956010 JBQMSUSFIMDSFM-UHFFFAOYSA-N 305.296 3.083 10 10 DGCE O=C(O)[C@@H]1CCC[C@@H]1CNCc1ccc(N2CCCCC2)cc1 841819219 DVNVSJGATUDSBG-SJLPKXTDSA-N 316.445 3.267 10 10 DGCE COc1ccc(O)c([C@@H](C)N[C@H]2COc3cccc(C)c3C2)c1 858459311 CFCDTMWCCVMGPA-ZIAGYGMSSA-N 313.397 3.364 10 10 DGCE Cc1cc(C)c([C@H](C)NCC2(CC(N)=O)CCCCC2)c(O)c1 850573905 STPSBAAEZQTJBF-HNNXBMFYSA-N 318.461 3.486 10 10 DGCE COc1ccc(N2CC[C@@H](NCc3c(F)cccc3F)C2)cc1 850346356 SEKVNSHELFRRLN-CYBMUJFWSA-N 318.367 3.342 10 10 DGCE OC[C@]12CC[C@H]1CN(c1ccc(OCc3ccccc3)cc1)C2 1899864804 LTWCANIYJNCWTQ-FXAWDEMLSA-N 309.409 3.474 10 10 DGCE O[C@@H]1C[C@@H]2CN(c3ccc(OCc4ccccc4)cc3)C[C@@H]2C1 1899874642 OKHWLONEPLBVJC-IZZQQSIFSA-N 309.409 3.473 10 10 DGCE COc1cccc([C@@H](C)NC[C@H]2CCN2C2CCCCC2)c1O 858464168 ILCFFLXMAUIIMK-GDBMZVCRSA-N 318.461 3.458 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)C1(F)CCCCC1 862026545 SBXIDDXMYOSJQM-UHFFFAOYSA-N 302.349 3.229 10 10 DGCE Cc1cc(CC(=O)N2CC3(CCCO3)C2)c(C)n1-c1ccccc1 862821991 KOVBSEGCJZZKEY-UHFFFAOYSA-N 324.424 3.028 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)N(CC(F)F)CC1CCC1 779539719 KDALKWGHRITOLP-FNORWQNLSA-N 311.328 3.005 10 10 DGCE C[C@H]1CCN(Cc2ccccc2)CCN1Cc1ccccc1O 779007963 OQXWENHOKQRKCJ-KRWDZBQOSA-N 310.441 3.489 10 10 DGCE CCC[C@H]([C@H](N)c1ccccc1O)N(C)C(=O)OC(C)(C)C 1958142393 GCFKGNOKEAZAAY-UKRRQHHQSA-N 308.422 3.428 10 10 DGCE CCOc1ccc(N2CC[C@@H](CNCc3ccccn3)C2)cc1 76364922 SGJPZIMBWHBQGX-INIZCTEOSA-N 311.429 3.096 10 10 DGCE C[C@]1(c2ccccc2)C[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 1137066877 GQJRRUQRIFCIFI-MAUKXSAKSA-N 322.368 3.309 10 10 DGCE C[C@H](NC1[C@@H]2CN(Cc3ccccc3)C[C@@H]12)c1ccccc1O 398466767 VDNVNFPPOWZRFI-BMGDILEWSA-N 308.425 3.173 10 10 DGCE COc1ccc(CNC(=O)c2coc3cc(F)ccc23)c(O)c1 794388636 YWUUUCSWSRMCCL-UHFFFAOYSA-N 315.300 3.216 10 10 DGCE C[C@@H](N)c1ccc(N2CCC[C@@H](F)C2)c(Br)c1 689389527 VUXVFSMMHNJECI-MWLCHTKSSA-N 301.203 3.407 10 10 DGCE CC1(c2cc(NC(=O)c3cccc(O)c3O)no2)CCCC1 791001134 WHUJSNGDCVDIJQ-UHFFFAOYSA-N 302.330 3.170 10 10 DGCE CCc1cccc(CC(=O)NCc2cccc(Cl)c2O)c1 1305085226 UGRWIPFSJYURQC-UHFFFAOYSA-N 303.789 3.467 10 10 DGCE CCO/C(C)=C1\SC(=S)N(c2cccc(OC)c2)C1=O 1088727149 OLSZOBDTJDQIHU-XFXZXTDPSA-N 309.412 3.328 10 10 DGCE C[C@H](NC(=O)Cc1c[nH]c2cc(F)ccc12)c1ccccc1O 1302532653 NBKDKRHCLDLGRT-NSHDSACASA-N 312.344 3.433 10 10 DGCE O=C(NCCC1CC=CC1)NCc1c(O)ccc2c1CCCC2 1313269070 AQWMPHBKAJPSFT-UHFFFAOYSA-N 314.429 3.427 10 10 DGCE O=C(NCc1c(O)cccc1O)c1cc2ccccc2cc1F 1178917796 SJEFOBMZVXPPPE-UHFFFAOYSA-N 311.312 3.320 10 10 DGCE C[C@@H](C(=O)O)N(Cc1ccccc1)Cc1ccc(N(C)C)cc1 1902362570 FMXUUZXOLOKNOE-HNNXBMFYSA-N 312.413 3.228 10 10 DGCE CCNCc1ccc(N2CCSC2)cc1Br 1902757315 GVLZVMORELKHFJ-UHFFFAOYSA-N 301.253 3.069 10 10 DGCE Nc1ccc(Cc2noc([C@@H]3CC[C@H]4[C@H](C3)C4(F)F)n2)cc1 1333767104 RPAPSGVPQSDXPA-WXHSDQCUSA-N 305.328 3.391 10 10 DGCE CC[C@H](C)[C@H](OC)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1351164074 SVWRWPPVHPNJFQ-YJBOKZPZSA-N 318.461 3.306 10 10 DGCE NCc1cc(F)c(N2CC3(CCCC3)C2)cc1Br 1915819550 XLACSULAEVDENI-UHFFFAOYSA-N 313.214 3.427 10 10 DGCE Cc1cc(CCNC(=O)N2C[C@@H]3C[C@H]3C2)c(C)n1-c1ccccc1 1479064897 ZFZVLYHGXJECLZ-ROUUACIJSA-N 323.440 3.298 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)N[C@H]2CO[C@@H](C)C2)c1 1557342041 XQTJVBOUVVMCJG-JKSUJKDBSA-N 312.413 3.310 10 10 DGCE CC[C@H](CCNC(=O)OC(C)(C)C)[C@H](N)c1ccccc1O 1926036686 VPIVOKJHHKQCJN-DOMZBBRYSA-N 308.422 3.333 10 10 DGCE O=C(CCCOc1cccc(F)c1)NCc1c(O)cccc1F 1646034944 OSSKLTUANAWPIS-UHFFFAOYSA-N 321.323 3.146 10 10 DGCE Cc1ccc(CNC(=O)c2cc3cc(O)c(O)cc3s2)o1 1642565948 VVADIEWAAGEMQW-UHFFFAOYSA-N 303.339 3.144 10 10 DGCE COC(=O)c1cncc(CSc2ncc(Cl)s2)c1 1652127012 TWYVXFIVPHBKNP-UHFFFAOYSA-N 300.792 3.270 10 10 DGCE O=C(NCc1c(O)cccc1O)c1cscc1C(F)(F)F 1597580158 YKBIYUUOHNIUDL-UHFFFAOYSA-N 317.288 3.108 10 10 DGCE CCN(C[C@@H]1CCCO1)c1ccc(/C=C/C(=O)O)cc1Cl 164358069 IBAZIYDNXKZIMU-CFNZNRNTSA-N 309.793 3.443 10 10 DGCE C[C@H](CCNC(=O)OC(C)(C)C)N[C@H](C)c1ccc(O)cc1O 1937019639 USZBCGSDIVKBQJ-VXGBXAGGSA-N 324.421 3.052 10 10 DGCE COc1ccc(O)c(CN[C@@H]2CC[C@@H]2OCc2ccccc2)c1 1939572918 BATVVUHUANMDFY-MJGOQNOKSA-N 313.397 3.238 10 10 DGCE C[C@H]1CN(c2ccc([C@@H](C)O)cc2Br)C[C@@H]1F 1947312721 JFWUHVBOTCKBMU-SBMIAAHKSA-N 302.187 3.297 10 10 DGCE CN(C)CCN(Cc1ccccc1)c1ccc(C=CC(=O)O)cc1 1946787439 NXQARINFOYNMMG-UHFFFAOYSA-N 324.424 3.353 10 10 DGCE Oc1cccc(Br)c1CNC[C@@H]1CC[C@@H](F)C1 1945261867 RESUEBMRYXTIRR-NXEZZACHSA-N 302.187 3.383 10 10 DGCE CC1(C)COCC[C@H]1NCc1cc(Br)ccc1O 1964599809 DUNOANXPQWCZJJ-CYBMUJFWSA-N 314.223 3.059 10 10 DGCE Oc1c(F)cc(Br)cc1CNC[C@@H]1CC[C@@H]2C[C@@H]12 1966008564 RSKXIWRRQFRYLB-VDDIYKPWSA-N 314.198 3.430 10 10 DGCE C[C@H](NCC1(Br)CCC1)c1cc(O)ccc1O 2002766433 DOGSQDABJICALJ-VIFPVBQESA-N 300.196 3.066 10 10 DGCE CC(C)(C)OC(=O)Nc1ccoc1C(=O)N1CC[C@@H](N=[N+]=[N-])C1 1985093891 GYNMAXHOCZOZDF-SECBINFHSA-N 321.337 3.151 10 10 DGCE CN(C)c1ccc([C@H](O)c2cc(C(F)(F)F)ns2)cc1 2155017959 ZBGVDHXZYLIXSP-LBPRGKRZSA-N 302.321 3.310 10 10 DGCE C[C@H]1CCOCCN1[C@@H](C)c1cc(Br)ccc1O 2031609012 IADHCJKMABWNAT-QWRGUYRKSA-N 314.223 3.327 10 10 DGCE CC[C@H](c1cc(Br)ccc1O)N(C)[C@H](C)CCN 2040925036 MPISJFWIPXUTFD-ZWNOBZJWSA-N 315.255 3.275 10 10 DGCE C[C@H]1CCC[C@H](S(=O)(=O)Nc2ccc(O)c(Cl)c2)C1 407338715 VHZIWUOVMUWCAQ-ONGXEEELSA-N 303.811 3.366 10 10 DGCE CCO[C@H]1CCN(c2ccc([C@@H](C)N)cc2Br)C1 701698583 AJIWMQOTLBJGBP-PWSUYJOCSA-N 313.239 3.084 10 10 DGCE Oc1c(F)cc(Br)cc1CNCC1=CCCC1 715724240 ZNONDAYSLJIPOV-UHFFFAOYSA-N 300.171 3.494 10 10 DGCE CCCNCc1ccc(N(CCF)CCOC)c(Cl)c1 697279217 UFWBGSILFIMWTJ-UHFFFAOYSA-N 302.821 3.262 10 10 DGCE Nc1c(C2CCC2)cnn1Cc1c(O)cccc1Br 2070321061 FIDZJVIGVDRUSF-UHFFFAOYSA-N 322.206 3.249 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1CN(c1ccc(N)cc1)C2 2210773007 QORADIYRZQXHLG-WWGRRREGSA-N 317.433 3.008 10 10 DGCE Oc1cccc(Br)c1CNC[C@H](F)C1CCC1 2215287466 CLDVIZXKUCFLTP-LBPRGKRZSA-N 302.187 3.383 10 10 DGCE CC(=CBr)CN1CCOc2cc(N(C)C)ccc21 2219393578 JKCZQOQZYZZRDI-UHFFFAOYSA-N 311.223 3.250 10 10 DGCE CCN[C@H](C)c1cnc(SC[C@]2(OCC)CCOC2)s1 2287073322 TZBAGQAPHYLPNQ-RISCZKNCSA-N 316.492 3.101 10 10 DGCE CCN(CC)CCN1C(=O)C(=Cc2ccccc2)SC1=S 2323783277 GIUMBPGUSADZOG-UHFFFAOYSA-N 320.483 3.230 10 10 DGCE Cc1ccc(CN[C@@H](C)c2ncccn2)c(O)c1Br 2352675441 GREUPLCDCMCHRI-JTQLQIEISA-N 322.206 3.104 10 10 DGCE COc1ccc2cc(CSc3nccs3)c(NN)nc2c1 51151100 UOIUZDYMHZXYOG-UHFFFAOYSA-N 318.427 3.278 10 10 DGCE C[C@@H](Nc1ccc(C(N)=O)c(Cl)c1)c1ccc(F)cc1O 62747515 MREMGLZZDSGPTA-MRVPVSSYSA-N 308.740 3.457 10 10 DGCE CCN(CC)c1ccc(CNC(=O)N(C)CCSC)cc1 176328781 BQGCMAVGUSYNMU-UHFFFAOYSA-N 309.479 3.037 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)NCCC1=CCCC1 125872902 DJBCIERGUDQNIW-UHFFFAOYSA-N 301.434 3.394 10 10 DGCE CN(C)c1ccc([C@H]2C[C@@H](N)CCN2C(=O)OC(C)(C)C)cc1 1952085119 FCFGAKOXMIJBLA-GOEBONIOSA-N 319.449 3.152 10 10 DGCE Cc1ccc([C@@H](C)N[C@@H](C)c2nnc3n2CCCC3)c(O)c1 185585977 QNYXEPHTUWMHQO-OLZOCXBDSA-N 300.406 3.040 10 10 DGCE CC[C@@H](NCCN1CCc2ccccc2C1=O)c1ccccc1O 191614657 FFWYDRDNCHKPOG-GOSISDBHSA-N 324.424 3.131 10 10 DGCE Cc1cccc(CN[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)c1O 227631690 VKYOYLHIGZNPBG-HUUCEWRRSA-N 320.433 3.236 10 10 DGCE Cc1cc(N2CCCNCC2)ccc1OCCC(F)(F)F 80967027 HITSCNMOTSFEFO-UHFFFAOYSA-N 302.340 3.126 10 10 DGCE CN[C@@H](C)c1ccc(N(CCOC)Cc2ccccc2)cc1O 384411517 WQZMRWXVAZJPLH-HNNXBMFYSA-N 314.429 3.326 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1C[C@@H]1C 266811523 WHBFMNNWMYJLBP-GOEBONIOSA-N 303.450 3.329 10 10 DGCE Cc1cc(Cl)cc(CNc2cccc3c2CNC3=O)c1O 809722163 NVYLNVWONZEOSM-UHFFFAOYSA-N 302.761 3.210 10 10 DGCE CCN[C@@H](c1ccc2c(c1)CCN2C)[C@@H]1CSCCS1 2163080061 RPLDENSNSHZSKI-HOTGVXAUSA-N 308.516 3.178 10 10 DGCE Cc1ccccc1[C@H](O)CNCc1cc(Cl)c(F)cc1O 293670242 QNLRDQCKHNFWSN-MRXNPFEDSA-N 309.768 3.316 10 10 DGCE c1ccc2c(c1)OC[C@H](CNCc1ccc(N3CCCC3)cc1)O2 393429829 SFCMQYRMOKUQQX-SFHVURJKSA-N 324.424 3.216 10 10 DGCE CC(=O)c1cc(Cl)cc(CN(C(C)C)[C@@H]2CCOC2)c1O 291148210 ADNULUHCWHTVNM-CQSZACIVSA-N 311.809 3.248 10 10 DGCE CC[C@H](C)[C@@H](NC(=O)c1ccccc1C(=O)N=N)/C(O)=C/N=N 575116340 UIKXJFWUZGAGQF-ZGORHYDPSA-N 317.349 3.433 10 10 DGCE Nc1ccc(CCCN2CCS[C@H](C(F)(F)F)C2)cc1 721487529 RHBPZKRIOPMBRP-ZDUSSCGKSA-N 304.381 3.181 10 10 DGCE Cc1ccc(O)c([C@@H]2NCCc3nc4ccc(Cl)cn4c32)c1 821242746 KNCRRCKCBCNEBI-INIZCTEOSA-N 313.788 3.237 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2CCCN(c3ccc(N)cc3)[C@@H]2C1 1894536305 CFHNPGNVFXBXJV-XJKSGUPXSA-N 317.433 3.105 10 10 DGCE COc1ccc(CNC(=O)NCC2(C3CCC3)CCC2)c(O)c1 836672408 GUHQQIDFHQEBED-UHFFFAOYSA-N 318.417 3.170 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)C2CCC(=O)CC2)cc1 746104906 INBJJESVCZIACE-UHFFFAOYSA-N 316.445 3.251 10 10 DGCE Cc1cc(C(=O)Nc2cc(Cl)[nH]n2)c(C)n1-c1ccccn1 749553833 SODHULQGTVHWBU-UHFFFAOYSA-N 315.764 3.118 10 10 DGCE CCC[C@H](C)[C@H](CO)NCc1cc(Br)ccc1O 846016802 JTCOTISKRLTAQO-GWCFXTLKSA-N 316.239 3.041 10 10 DGCE C[C@H](NCCO[C@H]1CC1(F)F)c1cc2c(cc1O)CCCC2 850520881 HXRQIGCBCCQEEW-ZBEGNZNMSA-N 311.372 3.346 10 10 DGCE COc1ccc(O)c(CN(C)Cc2c(C)cc(C)nc2OC)c1 857069055 NHOCQOWBBNRJJH-UHFFFAOYSA-N 316.401 3.053 10 10 DGCE Cc1ccc([C@@H](C)NCC2(CC(N)=O)CCCCC2)c(O)c1C 850573436 LXKKJHOJZRPDSO-OAHLLOKOSA-N 318.461 3.486 10 10 DGCE COc1ccc(N2CC[C@@H](NCc3cc(C)ccc3O)C2)cc1 850346614 HVWWTICBHOFIOZ-MRXNPFEDSA-N 312.413 3.078 10 10 DGCE C[C@H](N[C@H](C)c1nccn1C)c1ccc(Br)cc1O 850572460 KFZZCHFKEOTSRI-VHSXEESVSA-N 324.222 3.300 10 10 DGCE c1ccc(COc2ccc(N3CC[C@@H]4CNC[C@@H]4C3)cc2)cc1 1899880590 ZMDQXPRBPUTRNT-QZTJIDSGSA-N 308.425 3.311 10 10 DGCE CCOc1ccc(CNCCc2noc3ccccc23)c(O)c1 850341797 DXVWWAILUYLTFR-UHFFFAOYSA-N 312.369 3.264 10 10 DGCE COCc1ccc(CNC(=O)N[C@@H](C)c2ccccc2O)cc1 868044639 OWBIRXXKHILIMD-ZDUSSCGKSA-N 314.385 3.099 10 10 DGCE C[C@@H]1CC[C@H](N[C@H](C)c2cccc(C(F)(F)F)c2O)CN1 863544764 ANFSPTLHSJOGBE-MXWKQRLJSA-N 302.340 3.202 10 10 DGCE CC[C@H](C[C@H](C)O)NCc1cc(OC)cc(C(C)(C)C)c1O 865876038 HPPUVIRSKRMTMJ-GXTWGEPZSA-N 309.450 3.337 10 10 DGCE C[C@@H](NC(=O)c1ocnc1C(F)F)c1ccc(N(C)C)cc1 860949711 BANUFKNSJSJCGG-SECBINFHSA-N 309.316 3.169 10 10 DGCE COc1ccc(C[C@@H](C)N(C)C(=O)c2cc(O)cs2)cc1 1118556123 UFPZJNLNVQBOAY-LLVKDONJSA-N 305.399 3.166 10 10 DGCE CC[C@H](NCc1cc(Cl)cc(OC)c1O)[C@@H]1CCCOC1 895665028 WZMFCAIATWSUJE-RISCZKNCSA-N 313.825 3.349 10 10 DGCE CC(C)NCc1ccc(N2CC[C@H](F)C2)c(Br)c1 689826652 JHGHYRCQARJYQQ-LBPRGKRZSA-N 315.230 3.495 10 10 DGCE Oc1c(F)cc(Br)cc1CNC[C@H]1C[C@@H]2C[C@@H]2C1 715716128 CVGMXFMUCXWYOD-ILWJIGKKSA-N 314.198 3.430 10 10 DGCE CCCN[C@]1(CO)C[C@H](C)C[C@H](Sc2nccs2)C1 2118779781 YNCQVDYHUKMYJT-MBNYWOFBSA-N 300.493 3.155 10 10 DGCE CCOC(=O)[C@@H](CC1CC1)NCc1ccc(N2CCCC2)cc1 1349624825 LLDOAMLZQYFRPI-GOSISDBHSA-N 316.445 3.108 10 10 DGCE NCc1ccc2c(c1)CCN2Cc1ccc(Br)cc1 2133394888 GVAWIIWREUFDGV-UHFFFAOYSA-N 317.230 3.471 10 10 DGCE CN(C[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2)c1ccc(CN)cc1Br 2134496587 JVRGEOSTQCFHJF-DJUFWWRVSA-N 321.262 3.246 10 10 DGCE C[C@@H](Cc1cccs1)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 1294431575 MRRYWGMRNJJXHO-WMADIVHISA-N 317.410 3.262 10 10 DGCE CCCCCC[C@H](O)CCC(=O)NCc1c(O)cccc1F 1471976344 XADSTYYDMWATIP-ZDUSSCGKSA-N 311.397 3.259 10 10 DGCE CC[C@@H](C)C(=O)NC[C@H]1C[C@@H](NCc2ccc(OC)c(C)c2)C1 1479280649 PTHBXSZXTHUDHU-XYPHTWIQSA-N 318.461 3.034 10 10 DGCE Oc1cccc(O)c1CNc1ncnc2sc3c(c12)CCC3 1612969361 DIBPUYASDOHAKE-UHFFFAOYSA-N 313.382 3.203 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCC[C@H](C)F 1569839630 NYTRVPAGWBOTCG-LBPRGKRZSA-N 316.376 3.385 10 10 DGCE CC(C)(C)OC(=O)NC1CC(C[C@@H](N)c2ccccc2O)C1 1928469985 MSHVXTDYSYOYDO-ORHYLEIMSA-N 306.406 3.085 10 10 DGCE CN1CCCc2cc([C@H](CCO)NC(=O)OC(C)(C)C)ccc21 1927279017 FEQNYRQOJMTKNE-HNNXBMFYSA-N 320.433 3.017 10 10 DGCE Oc1cccc(O)c1CNc1ccnc(Cc2ccccc2)n1 1643225822 BUFMKQCOIUDATC-UHFFFAOYSA-N 307.353 3.091 10 10 DGCE CCOc1c(F)cccc1C(=O)N[C@H](C)c1ccccc1O 1648889682 HMQQFHODIVBNMM-LLVKDONJSA-N 303.333 3.421 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)N[C@H](C)C[C@H](C)O)c1 1597435508 LPTNDPUNQMSGSA-CJNGLKHVSA-N 314.429 3.292 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)c1ccc(Cl)[nH]1 1595611082 AQIOLEVEJKQXJJ-UHFFFAOYSA-N 304.777 3.183 10 10 DGCE O=C1/C(=C\c2cccnc2)SC(=S)N1c1cccc(O)c1 5813663 DLAPNUGRRDCVDG-NTUHNPAUSA-N 314.391 3.193 10 10 DGCE CCC1=NN(c2ccccn2)C(=O)/C1=C/c1ccc(OC)cc1 1865679737 DFMMXIKPGVEYLZ-NTCAYCPXSA-N 307.353 3.286 10 10 DGCE CC(C)c1ccc2[nH]cc(C(=O)Nc3ccc(N)cc3)c(=O)c2c1 1866422275 JABVMANPSWQWKT-UHFFFAOYSA-N 321.380 3.486 10 10 DGCE CC[C@H](CCN)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 1977891422 KFEADSNDSUCLQC-OAHLLOKOSA-N 321.465 3.275 10 10 DGCE CCN(CC)c1ccc([C@@H](COCc2ccccc2)NN)cc1 1977944474 GMNJUXAMKIARLH-LJQANCHMSA-N 313.445 3.254 10 10 DGCE CCN(Cc1ccc(N)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 1977921171 RKZIHWOQRYOMOX-INIZCTEOSA-N 319.449 3.100 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@H]3C[C@H]2[C@H]2C[C@@H]32)cc1Br 2041509972 AGOHZSALKXPWCT-VJZJXRQDSA-N 308.219 3.347 10 10 DGCE CNCc1ccc(N2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc1 687244125 WIRHJEOHHJKUPD-OYRHEFFESA-N 321.468 3.259 10 10 DGCE C[C@H](NCc1ccc(Br)o1)c1cc(O)ccc1O 378936275 DGLVJLFIDZWLKL-QMMMGPOBSA-N 312.163 3.304 10 10 DGCE CNC(=O)c1cc(C2CCC2)nn1[C@H](C)c1cccc(C)c1O 2070052096 SRUGJYZEUJKCEP-GFCCVEGCSA-N 313.401 3.134 10 10 DGCE Cc1cccc(Cn2nc(CC(C)C)cc2CN(C)C)c1O 2070177753 DMIGVJDURXAYNQ-UHFFFAOYSA-N 301.434 3.206 10 10 DGCE C[C@@H](O)c1ccc(N(C)Cc2c(Cl)ncn2C)cc1Cl 2168141873 QQQPXGCCQVHLMT-SECBINFHSA-N 314.216 3.417 10 10 DGCE Cc1nn(Cc2c(O)cccc2Cl)c(N)c1C(F)(F)F 2079644040 BJAOZJXKIXVOOA-UHFFFAOYSA-N 305.687 3.200 10 10 DGCE CCN[C@H](c1ccc2c(c1)CCN2C)C(F)(F)Br 2045808096 RLXHNXHPQFSBGR-GFCCVEGCSA-N 319.193 3.317 10 10 DGCE C[C@H]1CNC[C@@H](C)CN1Cc1cc(Cl)cc(Cl)c1O 2102880289 NGXFNHBFQFEKSR-ZJUUUORDSA-N 303.233 3.129 10 10 DGCE CCN[C@](CCCSc1nccs1)(C(=O)O)C(C)C 2087811060 DFZRTAAUOURSEB-ZDUSSCGKSA-N 302.465 3.104 10 10 DGCE CC[C@@H](Nc1cn(C)nc1Br)c1ccccc1O 2223017094 GQTWFWRJHRTAJW-SNVBAGLBSA-N 310.195 3.451 10 10 DGCE COC[C@]1(C)C[C@@H]1CNCc1cc(Cl)cc(Cl)c1O 2269291153 LXLPCXQXDOEZME-YGRLFVJLSA-N 304.217 3.461 10 10 DGCE C[C@H]1Cc2ccccc2N1N=Nc1ccc2c(c1)OCC(=O)N2C 2330246117 AXGFEKWIMFQSNM-LBPRGKRZSA-N 322.368 3.492 10 10 DGCE CCC1=NN(CC)C(=O)C1=Cc1ccc(OC(C)C)c(OC)c1 2332125569 PSXXHWXHSPBNOA-UHFFFAOYSA-N 316.401 3.494 10 10 DGCE CCN1N=C(c2ccc(OC)cc2)C(=Cc2cccs2)C1=O 2332127674 WTSCTEISBQDRIR-UHFFFAOYSA-N 312.394 3.407 10 10 DGCE O[C@H](CNCc1ccc(N2CCCCC2)cc1)Cc1ccccc1 105493520 JAUMWWMATOBTSE-NRFANRHFSA-N 324.468 3.370 10 10 DGCE Cc1cccc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)c1 102465458 UARNURMGNLDQTE-NLFVLIHZSA-N 312.398 3.270 10 10 DGCE COc1ccc2ccc(O)c(CN3CCS[C@@H](C)C3)c2c1 171606550 XOPHZTMBADZEIZ-LBPRGKRZSA-N 303.427 3.491 10 10 DGCE CCC(=O)Nc1ccc(NC(=O)CCc2ccc(N)cc2)cc1 66153489 WLLBWVRDUKGZSP-UHFFFAOYSA-N 311.385 3.189 10 10 DGCE Cc1cc(C(=O)NCc2ccccn2)c(C)n1-c1ccccc1 68883800 IRDLGEXXSSAFCD-UHFFFAOYSA-N 305.381 3.419 10 10 DGCE CCCCCN(C)c1c(F)cc(CNCCOC)cc1F 62735470 GVQIWKIDLDAKGE-UHFFFAOYSA-N 300.393 3.327 10 10 DGCE O=[N+]([O-])c1cc(I)cc2c(O)csc12 306651403 RZWIQRRYBWHORL-UHFFFAOYSA-N 321.095 3.120 10 10 DGCE Cc1cnn([C@@H]2CCCN(Cc3cccc(Cl)c3O)C2)c1 180140739 VGGHVJMUJQFXTP-CQSZACIVSA-N 305.809 3.388 10 10 DGCE O=C(NCCCSc1nccs1)c1ccc2c(c1)CCN2 133132969 WDSICDFJBOZSIT-UHFFFAOYSA-N 319.455 3.023 10 10 DGCE Cc1cc(C(=O)NC[C@H]2CCCO2)c(C)n1-c1ccccc1F 44863315 DVTBLEJSRGBTBI-CQSZACIVSA-N 316.376 3.142 10 10 DGCE CCO[C@@H](CNCc1ccc(OC)cc1O)c1ccccc1 194461638 UGDNAZCJICWKGK-SFHVURJKSA-N 301.386 3.268 10 10 DGCE CN(C)C[C@@H]1CCCN1Cc1cc(Cl)cc(Cl)c1O 133845815 DBAUTOJJDSHYCY-LBPRGKRZSA-N 303.233 3.225 10 10 DGCE Nc1cc2c(cc1N(Cc1cccs1)C1CC1)OCCO2 49019339 COWWKZDJIMOBNM-UHFFFAOYSA-N 302.399 3.271 10 10 DGCE CSc1ncc(CN[C@]2(C(=O)O)C[C@H](C)CC[C@@H]2C)s1 2371804397 LMEOPPPVZVXVFX-ISTVAULSSA-N 314.476 3.234 10 10 DGCE CN1CC[C@H](N[C@@H]2CCc3cccc(O)c32)[C@@H]1c1ccccc1 296966961 RIVSVHUUHRAUJE-UWVAXJGDSA-N 308.425 3.415 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CC(C)(C)[C@H]3COC[C@H]32)c1O 385018929 UWBBFLJZHXRONP-LSDHHAIUSA-N 323.820 3.105 10 10 DGCE CN(C)c1ccc([C@H](O)Cc2ccncc2Br)cc1 702864644 LPOOVFLICUNLJL-OAHLLOKOSA-N 321.218 3.186 10 10 DGCE C[C@H]1CO[C@H](C(F)(F)F)CN1Cc1ccc(N(C)C)c(F)c1 809697289 ZCXLJHQXNGIZCD-HZMBPMFUSA-N 320.330 3.043 10 10 DGCE O[C@H](CNCCCSc1nccs1)CC1CCCC1 819064448 YCWHABGRTKWXMH-ZDUSSCGKSA-N 300.493 3.156 10 10 DGCE CCOc1cccc(CNC[C@@H]2CCO[C@H](C(C)C)C2)c1O 824799155 LCNIYEJASOSYRM-PBHICJAKSA-N 307.434 3.332 10 10 DGCE CCN(CC)c1ccc(CN2CCCc3n[nH]cc3C2)cc1F 828013997 QJUXIFZCXPDWDZ-UHFFFAOYSA-N 316.424 3.343 10 10 DGCE CCN1CCC(CCNC/C=C\c2ccc(N(C)C)cc2)CC1 835039706 IWPHTYCVGLUNOW-WAYWQWQTSA-N 315.505 3.477 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCOC[C@H]2CC(F)F)cc1 835053547 NWKVJINSAHYGNP-QDLOVBKTSA-N 310.388 3.122 10 10 DGCE Cc1ccc(O)c(CNC[C@H]2CSc3ccccc3O2)c1 842726709 MILZRGOAHIEYBE-AWEZNQCLSA-N 301.411 3.344 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@H]2C[C@H]3C[C@@H](OC)C[C@H]3C2)c1 845970639 AXKYLRKDEJWWDD-JHZZJYKESA-N 305.418 3.255 10 10 DGCE Cc1cc(CCNC(=O)c2ccccn2)c(C)n1-c1ccccc1 746424662 ARJAOLXQTOTBSJ-UHFFFAOYSA-N 319.408 3.462 10 10 DGCE C[C@@H](NCCc1cn(C)cn1)c1ccc(Cl)c(Cl)c1O 840765321 CTEWNJRFQSKBEB-SECBINFHSA-N 314.216 3.326 10 10 DGCE C[C@@H]1CN(C/C=C\c2ccc(N(C)C)cc2)C2(CCC2)CO1 846067210 PANXFZOVTQQRFM-DQOPKJQZSA-N 300.446 3.409 10 10 DGCE CCN(CC)c1ccc(CNC[C@@H](C(=O)O)C2CCC2)cc1F 854245847 FHCZDBRSZMIDOX-OAHLLOKOSA-N 322.424 3.262 10 10 DGCE COC[C@@H](CNCc1cc(Cl)cc(OC)c1O)C(C)C 1335566007 QDOQHNSBLSCHLL-GFCCVEGCSA-N 301.814 3.062 10 10 DGCE COc1cccc(CN(C)Cc2c(C)cc(C)nc2OC)c1O 857069205 SYPINWDABRFMPX-UHFFFAOYSA-N 316.401 3.053 10 10 DGCE Cc1cc(CC(=O)OC[C@@H]2CCOC2)c(C)n1-c1ccccc1 853098574 KPSGIOMCMQTRMY-MRXNPFEDSA-N 313.397 3.216 10 10 DGCE CC(=O)c1cc(F)cc(CN(C)C2(C(F)(F)F)CC2)c1O 932301086 JFXGXVKYHQCPAT-UHFFFAOYSA-N 305.271 3.261 10 10 DGCE CC[C@H](C)[C@@H](NC(=O)N1Cc2cccc(O)c2C1)C(F)(F)F 931097772 ZQARJNGGUYHXRG-TVQRCGJNSA-N 316.323 3.394 10 10 DGCE O=C(NCc1ccc(Cl)cc1Cl)c1cccc(O)c1O 776312635 JOXUAVDTLPXPTO-UHFFFAOYSA-N 312.152 3.335 10 10 DGCE Cc1cc(Br)cnc1NCCc1ccc(N)cc1 94051373 LOSZUZFMQVASED-UHFFFAOYSA-N 306.207 3.389 10 10 DGCE C[C@H](O)c1ccc(N(C)C(C)(C)CCO)cc1Br 689836372 MDMQGWZKXLRLOE-JTQLQIEISA-N 316.239 3.100 10 10 DGCE C[C@H]1[C@H](NCc2cccc(F)c2O)CCN1C(=O)OC(C)(C)C 704615932 KQTZPBVVNHEERV-SMDDNHRTSA-N 324.396 3.019 10 10 DGCE C[C@H](O)c1ccc(N(CCO)C(C)(C)C)cc1Br 691084624 MVFFHAVQLDTAMS-JTQLQIEISA-N 316.239 3.100 10 10 DGCE O=C(NCc1ccccc1O)c1ccsc1Br 699113454 LMWCYGCSPJQUFB-UHFFFAOYSA-N 312.188 3.146 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]23CCOC3)cc1 1326242424 JHVFPSJJKQTXMA-IBGZPJMESA-N 310.397 3.099 10 10 DGCE C/C(=C\c1cccnc1)C(=O)N1CCCn2nc(C)c(Cl)c21 1339112808 AOWAYGNRWVNOQX-PKNBQFBNSA-N 316.792 3.080 10 10 DGCE Cc1ccnc(CN2CC[C@H](CN=[N+]=[N-])C2)c1Br 1912157328 XKZHSJNZKHSPDV-SNVBAGLBSA-N 310.199 3.285 10 10 DGCE COc1cc(C)ccc1C(=O)NCc1ccc2cccnc2c1O 1469250780 UDWJATHDIAAAPL-UHFFFAOYSA-N 322.364 3.187 10 10 DGCE COC(=O)c1c(NC(=O)c2cc(O)cs2)ccc(C)c1C 1471700427 VOONGFMHBQHKGF-UHFFFAOYSA-N 305.355 3.109 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](CC)CC(F)F 1623573722 DTKMNQKGBIWUKG-SNVBAGLBSA-N 306.349 3.176 10 10 DGCE C=C/C=C/CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 1632399469 VFRRQFXGFJANID-QDLOVBKTSA-N 301.386 3.032 10 10 DGCE CCC(=O)N[C@H](CNCc1ccc(OC)c(C)c1)C(C)(C)C 1725731239 BCFJOFOVTTUFCD-MRXNPFEDSA-N 306.450 3.034 10 10 DGCE CCN[C@@H](c1ccccc1O)[C@H](C)CNC(=O)OC(C)(C)C 1928468766 AAYVYPXZRYSMAI-IUODEOHRSA-N 308.422 3.204 10 10 DGCE CCc1c(C(=O)NCc2cc(O)ccc2O)oc2ccccc12 1644754449 XHHFPNDKNXMKSH-UHFFFAOYSA-N 311.337 3.336 10 10 DGCE O=C(Nc1c[nH]ccc1=Nc1ccccc1)c1cc(O)cs1 1640548015 WNEVPLZNSXJHFF-UHFFFAOYSA-N 311.366 3.267 10 10 DGCE CC(=O)c1cc(F)cc(CN[C@@H]2C[C@@H](OC(C)C)C2(C)C)c1O 1645713735 ORVHAUJCPOEJTK-HZPDHXFCSA-N 323.408 3.416 10 10 DGCE N=C(N)c1c(Br)cccc1Sc1nccs1 165060271 HSAHYZJMAARAGL-UHFFFAOYSA-N 314.233 3.341 10 10 DGCE OCC[C@H]1CCCCN1Cc1ccc(N2CCCCC2)cc1 159705189 SLMPDGMLJBYBDF-GOSISDBHSA-N 302.462 3.414 10 10 DGCE Nc1ccc(NC(=O)c2cc(O)c3cc(F)cc(F)c3n2)cc1 1866500318 UFYIICLGMFWGCR-UHFFFAOYSA-N 315.279 3.053 10 10 DGCE Oc1cc(Br)ccc1CNCc1conc1C1CC1 1967736739 SAQFPQQSHSILMV-UHFFFAOYSA-N 323.190 3.310 10 10 DGCE C[C@H]1N(c2ccc(CN)c(Br)c2)CCC1(F)F 2004608529 XWYGEHXSKABJAP-MRVPVSSYSA-N 305.166 3.142 10 10 DGCE C[C@H](N[C@@H]1CC[C@H]1NC(=O)OC(C)(C)C)c1ccc(F)cc1O 1986714319 ZBVUTSLAWGBEAM-ZLKJLUDKSA-N 324.396 3.238 10 10 DGCE CN1CCc2cc([C@H](O)[C@@H](N)c3ccsc3Cl)ccc21 2147447212 SMSFWXNBSAQAOX-KBPBESRZSA-N 308.834 3.127 10 10 DGCE C[C@@H](O)c1ccc(N(C)C[C@H]2C[C@@H]2F)c(Br)c1 2014705548 VYJKKIFTANIOQR-UISBYWKRSA-N 302.187 3.297 10 10 DGCE C[C@@H](N)c1ccc(N(C)C[C@H]2C[C@H]2F)c(Br)c1 2014705017 NVDUINPETOCLTI-HLUHBDAQSA-N 301.203 3.263 10 10 DGCE Nc1ccc(N2CCN(Cc3sccc3Cl)C2=O)cc1 312794472 HVBLBNRZJIHMTB-UHFFFAOYSA-N 307.806 3.426 10 10 DGCE Cc1cc(CN)ccc1N1CCN(Cc2ccccc2)C[C@@H](C)C1 324071229 XVNHNDLHTNSAGR-QGZVFWFLSA-N 323.484 3.412 10 10 DGCE CN(Cc1cnn(C(F)F)c1)c1ccc(CO)c(Cl)c1 2177343610 YLRZZANXXAYGBW-UHFFFAOYSA-N 301.724 3.060 10 10 DGCE C[C@H](NCc1ncc(Br)s1)c1ccccc1O 714928397 XYTPJWOQPWZULU-QMMMGPOBSA-N 313.220 3.462 10 10 DGCE C[C@@H](NCc1ccn(Cc2ccccc2)n1)c1cc(O)ccc1O 389931195 CEQIMJXQSCHWCH-CQSZACIVSA-N 323.396 3.193 10 10 DGCE Cc1cc(N2CCC(=CBr)C2)ccc1C[C@H](C)N 2052254004 DSMIYESORASPEU-LBPRGKRZSA-N 309.251 3.374 10 10 DGCE CNCc1ccc(N(C)Cc2cccn2C)c(Br)c1 2114550356 CHSFZWDYZOCDLY-UHFFFAOYSA-N 322.250 3.143 10 10 DGCE C[C@@H](N)c1ccc(N(C)CC2(F)CCOCC2)c(Cl)c1 2238276661 JHIWZFIXJSUXKY-LLVKDONJSA-N 300.805 3.315 10 10 DGCE COc1ncc(CN(C)c2ccc([C@@H](C)N)c(Cl)c2)s1 2239973920 ZRNLFHDOFIIXHL-SECBINFHSA-N 311.838 3.461 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)N[C@@H](Cc1ccccc1)C1CC1 2307987852 OWBAEHYBEUXPJW-KRWDZBQOSA-N 323.392 3.249 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)NCc1ccc(C2CC2)cc1 2311657834 XCNJJVFEVUKCMA-UHFFFAOYSA-N 309.365 3.305 10 10 DGCE CC(C)n1ncc(Br)c1COc1ccc(N)cc1 2319495749 IJZWNXRDMLZSBE-UHFFFAOYSA-N 310.195 3.388 10 10 DGCE Cc1ccc(CN2C[C@@H]3C[C@@H]3[C@H]3C[C@@H]32)c(O)c1Br 2327803875 ITLWUOOMZPTSLB-RVMXOQNASA-N 308.219 3.303 10 10 DGCE CC(C)C1=NN2C(=N)/C(=C\c3ccc(F)cc3)C(=O)N=C2S1 3863034 FDFLECZWRPWEOS-XXHWOJSFSA-N 316.361 3.101 10 10 DGCE CCC[C@@H](C)OC(=O)/C=C/c1ccc(N2CCOCC2)cc1 177786649 GOYIVFGQNUSHMB-JOZWUWCOSA-N 303.402 3.268 10 10 DGCE CN(CC1CCOCC1)c1ccc(CN)c(C(F)(F)F)c1 111153811 LMPCWFLKKOXTJC-UHFFFAOYSA-N 302.340 3.027 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H](N)c1ccc(N2CCCCC2)cc1 309937807 DVXMDHUPQIJPDM-MRXNPFEDSA-N 319.449 3.201 10 10 DGCE CN(Cc1snnc1C1CC1)c1ccc(CO)cc1Cl 2360866768 YNKBYJGTVYWTOY-UHFFFAOYSA-N 309.822 3.198 10 10 DGCE CN1CCc2cc(/C=C3/N=C(c4ccsc4)OC3=O)ccc21 129675723 QUPXWDRVKQRUET-NTEUORMPSA-N 310.378 3.085 10 10 DGCE C[C@H](Nc1ccc2oc(=O)n(C)c2c1)c1ccc(F)c(F)c1O 187897249 XOONVTWRMAMLDI-QMMMGPOBSA-N 320.295 3.288 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2C(=O)C1(C2CCC2)CCC1 410535833 VQYMDKVRTWSLHR-UHFFFAOYSA-N 314.429 3.448 10 10 DGCE CCC[C@H]1CN(c2ccc(OC)c(Br)c2)CCN1 88331056 XOSNKBNJLNUZAK-NSHDSACASA-N 313.239 3.036 10 10 DGCE COc1ccc(O)c(CN2C[C@@H](C)O[C@H](c3ccccc3)C2)c1 245839606 JJBCUCGEYURNRL-KUHUBIRLSA-N 313.397 3.363 10 10 DGCE CCOc1cccc(CNCc2ccc3c(n2)CCCC3)c1O 277637312 CZRILMPCFRGKOS-UHFFFAOYSA-N 312.413 3.355 10 10 DGCE c1nc2c([nH]1)C[C@H](NCc1ccc(N3CCCCC3)cc1)CC2 377789550 YCQZYGCOIRMMAY-MRXNPFEDSA-N 310.445 3.047 10 10 DGCE c1ccc([C@@H](NCc2ccc3c(c2)CCO3)[C@@H]2CCOC2)cc1 374472552 QMYRATIGSGFCOT-UYAOXDASSA-N 309.409 3.489 10 10 DGCE COC(=O)CCCCCNCc1cc(Cl)c(F)cc1O 293865946 IPLOIXKXYHKTDZ-UHFFFAOYSA-N 303.761 3.008 10 10 DGCE CN[C@@H](c1ccc(N2CCCC2)cc1)[C@@H]1CSCCS1 2163093967 HJTNBYKCWDXODD-HOTGVXAUSA-N 308.516 3.396 10 10 DGCE O=C(O)/C=C/c1ccc(N2CC[C@@H]3C[C@@H]32)cc1Br 707063173 UPVITVWDEWMOPL-YEGYTEFZSA-N 308.175 3.146 10 10 DGCE COc1ccc(N2CC[C@@H](CN[C@H](C)Cc3ccoc3)C2)cc1 818341912 IVSVVJJJZQCSGI-WBVHZDCISA-N 314.429 3.335 10 10 DGCE Cc1cc(CN2C[C@@H](C(F)(F)F)OC[C@@H]2C)ccc1N(C)C 815116358 KFYPVJSQTMTCSA-WFASDCNBSA-N 316.367 3.213 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=S)NCc2ccccc2)c1 728794082 XCEOEHVJVZBABB-GFCCVEGCSA-N 316.426 3.126 10 10 DGCE Cc1nnc(CN(C)C/C=C/c2ccc(N(C)C)cc2)s1 827806629 UMONQZMWMIESHM-AATRIKPKSA-N 302.447 3.058 10 10 DGCE COc1cc(C)cc(CN2CCC[C@@H]2COC(C)(C)C)c1O 905725423 SRWAYZHSYWTTOD-OAHLLOKOSA-N 307.434 3.489 10 10 DGCE FC1(F)CCNC[C@@H]1CNCc1ccc(N2CCCCC2)cc1 903955413 RGYFAZVRXORWEJ-MRXNPFEDSA-N 323.431 3.011 10 10 DGCE CN(C)c1ccc(/C=C/CN2CC[C@@H](O)C23CCCC3)cc1 835055966 QNXDWQLBGKPWSF-DUMMIQTOSA-N 300.446 3.145 10 10 DGCE COc1cc(C)cc(CN2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1O 840113630 FRTHIOFOSXFAQI-GVDBMIGSSA-N 319.445 3.225 10 10 DGCE CCOc1cccc(CN[C@H](C)[C@@H]2C[C@H](C(=O)O)C2(C)C)c1O 848639782 LLRDZLNTWGRDRV-KWCYVHTRSA-N 321.417 3.016 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@H]2c3ccccc3C[C@@H]2O)cc1 848568143 ZKEATWMGWUGNCX-KJBZUCPPSA-N 308.425 3.014 10 10 DGCE C[C@]1(NCc2cc(F)cc(F)c2O)CCOc2ccccc21 923023758 CNMUFGFMPUJLOW-KRWDZBQOSA-N 305.324 3.458 10 10 DGCE C[C@@H]1C[C@@H](NCc2cc(Cl)cc(Cl)c2O)c2ncnn21 850352281 QYXZYWBWEHEYAH-RDDDGLTNSA-N 313.188 3.086 10 10 DGCE C[C@H]1C[C@@H](NCc2cc(-c3ccccc3)ccc2O)c2ncnn21 850352458 XBRRRFKXHFFGJI-SUMWQHHRSA-N 320.396 3.446 10 10 DGCE CC[C@H](NCC1(CC(N)=O)CCCCC1)c1ccccc1O 850573053 ISGZBUODQSCMEC-HNNXBMFYSA-N 304.434 3.259 10 10 DGCE CCc1noc([C@H]2CC[C@@H](NCc3c(O)cccc3Cl)C2)n1 922864197 CADVDUHBGZBVIE-WDEREUQCSA-N 321.808 3.417 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)c3ccc(C)cc3)C2)cc1 855234512 CBBWFKKGVIRDIY-INIZCTEOSA-N 310.397 3.012 10 10 DGCE OC[C@H]1CC(F)(F)CN1c1ccc(OCc2ccccc2)cc1 1899869870 HGUZGBBSUZLKGV-MRXNPFEDSA-N 319.351 3.472 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)CC(C)(C)C3CC3)C2)cc1 855225321 JXJHKVIVSNIXTC-HNNXBMFYSA-N 316.445 3.216 10 10 DGCE COC(=O)c1cnc(SC[C@H](OC)C2CCCC2)s1 1350117038 DPLOYHCCUULBKO-JTQLQIEISA-N 301.433 3.227 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)C1CC2(CSC2)C1 866770860 HIDKBGJJNFYLKT-UHFFFAOYSA-N 317.454 3.030 10 10 DGCE CC(C)CCO[C@H]1CC[C@H](NC(=O)c2cccc(O)c2O)CC1 862897634 ACQXMHSLPKZWIF-HDJSIYSDSA-N 321.417 3.202 10 10 DGCE Cc1ccsc1CCNC(=O)N[C@@H](C)c1ccccc1O 868475842 MOMKUNLMPNVGBU-LBPRGKRZSA-N 304.415 3.365 10 10 DGCE C[C@H](NC(=O)NCC[C@@H]1CCSC1)c1ccc(N(C)C)cc1 868515954 XRFBOJOGRYYZCK-UONOGXRCSA-N 321.490 3.256 10 10 DGCE CC[C@H](N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)c1cc(Cl)ccc1O 775527765 UMXVATQIYICFHB-FDEJFUCISA-N 322.836 3.096 10 10 DGCE COc1ccc(CNC(=O)c2c(C)cccc2Cl)c(O)c1 1139031615 CIFXYHBLVSKJAR-UHFFFAOYSA-N 305.761 3.293 10 10 DGCE CC[C@H](NCCOC1CC1)c1cc(Br)ccc1O 715001497 OVQFQNWAWVAROT-ZDUSSCGKSA-N 314.223 3.374 10 10 DGCE C[C@H](C(=O)NCc1c(O)ccc2ccccc12)c1ccccn1 1157041676 KYKNGGXACPUODY-ZDUSSCGKSA-N 306.365 3.360 10 10 DGCE CCCNCc1ccc(N2CC(F)(F)C2)c(Br)c1 1917005646 WIYVAUMHGROXAK-UHFFFAOYSA-N 319.193 3.404 10 10 DGCE O=C(CC1(C(F)(F)F)CC1)NCc1cc(Cl)ccc1O 1327427530 NDMUDGIJAUHHNJ-UHFFFAOYSA-N 307.699 3.394 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@]1(C)CCCCO1 1349119091 QSQRYQHQPZZNBF-IBGZPJMESA-N 316.445 3.204 10 10 DGCE CO[C@@H]1CCN([C@H](C)c2cc(Br)ccc2O)[C@H]1C 1914346531 SSWANUWWOVJEMU-ISTVAULSSA-N 314.223 3.325 10 10 DGCE NCc1ccc(N(Cc2ccccc2)[C@H](CO)C2CC2)c(F)c1 1915186639 NBJQTKPKQAEFLQ-LJQANCHMSA-N 314.404 3.062 10 10 DGCE O=C(/C=C/c1ccc(Cl)cc1)NCc1c(O)cccc1O 1456313771 HJYFOQVPBOJFCE-RMKNXTFCSA-N 303.745 3.081 10 10 DGCE Cc1cc(Cl)nc(C(=O)NCc2ccc(N(C)C)c(F)c2)c1 1528618931 FMAAGXKLNUWDAR-UHFFFAOYSA-N 321.783 3.179 10 10 DGCE COC(C)(C)C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C 1624070574 VLEHVXHEGYCOIQ-UHFFFAOYSA-N 314.429 3.444 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(-c2ccon2)cc1 1639068965 HJJQQWSJPJFMHV-KRXBUXKQSA-N 322.320 3.405 10 10 DGCE CC(=O)c1ccccc1C(=O)NCc1cccc(Cl)c1O 1648606321 NRFXONURAFLELB-UHFFFAOYSA-N 303.745 3.178 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1cc(C2CC2)on1 1647788937 UVHVFMNGGHMZPU-UHFFFAOYSA-N 308.337 3.341 10 10 DGCE CCN1C(=O)/C(=C/c2ncc(C(F)(F)F)s2)SC1=S 1772973786 OZFBQIKMKRVHIL-HYXAFXHYSA-N 324.374 3.383 10 10 DGCE CC[C@@H]1SC(=S)N(CCCC(=O)Nc2ccccc2)C1=O 11636238 PJRGFHGBEIRULS-LBPRGKRZSA-N 322.455 3.044 10 10 DGCE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1CCCCN=[N+]=[N-] 1962298713 HGKZEJRYEWCDAR-STQMWFEESA-N 311.430 3.455 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1CCCCN=[N+]=[N-] 1962299175 LENLWQUWZQGINE-CHWSQXEVSA-N 311.430 3.407 10 10 DGCE NCc1ccc(N2CCCC[C@H](F)C2)cc1Br 1946943567 HAUHLNHGZQKWEM-NSHDSACASA-N 301.203 3.236 10 10 DGCE Nc1ccc(CNC(=O)c2cccc(Br)c2F)cc1 236357216 JOQJGCFUSZIFGD-UHFFFAOYSA-N 323.165 3.100 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CC[C@H]2CCNC[C@@H]2C1 1967988764 UBGBRLQADBXENV-ZYHUDNBSSA-N 315.244 3.130 10 10 DGCE C[C@@H](O)c1ccc(N2CC[C@@H]2C(F)F)cc1Br 2004491501 UXENBCKSCUZOSR-RDDDGLTNSA-N 306.150 3.346 10 10 DGCE C[C@H]1C[C@@H](CNCc2ccc(N)cc2)CN1C(=O)OC(C)(C)C 1976796828 RRPCUKRMMXIMTN-ZFWWWQNUSA-N 319.449 3.004 10 10 DGCE CCN(CCc1ccc(N)cc1)C[C@@H](C)NC(=O)OC(C)(C)C 1977925561 LOAWHLKGHCMHGK-CQSZACIVSA-N 321.465 3.046 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2CC[C@]2(CNc2ccc(N)cc2)C1 1993226881 JRRRMDFLQGLQKR-ACJLOTCBSA-N 317.433 3.328 10 10 DGCE C[C@H](F)[C@@H]1CCCN1c1ccc(CO)c(Br)c1 2010502880 YHHSFYAZNOJQJQ-ZANVPECISA-N 302.187 3.268 10 10 DGCE C[C@H](N)c1ccc(N(C)[C@H]2CCCOC2)c(Br)c1 401503704 IZBJUXBSVKOUBM-JQWIXIFHSA-N 313.239 3.084 10 10 DGCE CNCc1ccc(N2CCCN(Cc3ccccc3)CC2)cc1C 324066839 XDJWOQDLDDXEKX-UHFFFAOYSA-N 323.484 3.427 10 10 DGCE CC[C@H]1CN(c2cc(Cl)c(CN)cc2F)C[C@H](CC)O1 2177376112 BBGMZUBTUNTTMH-RYUDHWBXSA-N 300.805 3.332 10 10 DGCE [N-]=[N+]=NCC1CCN(S(=O)(=O)C2CCCCCC2)CC1 2161422567 IQVAGPBCCNVLRB-UHFFFAOYSA-N 300.428 3.061 10 10 DGCE CCCn1cc(NCc2cccc(Br)c2O)cn1 90191932 KVCRYPPQJMZIMD-UHFFFAOYSA-N 310.195 3.373 10 10 DGCE C[C@H]1CCN(c2ccc(CN)c(Br)c2)CCS1 379505706 IXNCBGIONUZIHA-JTQLQIEISA-N 315.280 3.240 10 10 DGCE CC(C)OCCN(C)Cc1ccc(Br)cc1O 691779042 KXALREPZKPYSAS-UHFFFAOYSA-N 302.212 3.012 10 10 DGCE C[C@H](NCc1cccc(Br)c1O)[C@H]1CC1(F)F 840967876 KNGVXQUYWXSXBA-IONNQARKSA-N 306.150 3.288 10 10 DGCE COc1ccc([C@H](C)n2nc(C3CCC3)cc2C(=O)O)c(O)c1 2069859584 RVDLHLAKDYMWCS-JTQLQIEISA-N 316.357 3.172 10 10 DGCE Cc1nn(Cc2cc(F)ccc2O)c(C(F)(F)F)c1[N+](=O)[O-] 2079218554 XKKDNEVWFXIKRT-UHFFFAOYSA-N 319.214 3.012 10 10 DGCE CCc1c(C2(C)CC2)nn(Cc2cc(Cl)ccc2O)c1N 2079819626 AMVZUPRKYFJZBA-UHFFFAOYSA-N 305.809 3.487 10 10 DGCE C[C@H](N)c1cc(F)c(N2CC[C@H](P(C)(C)=O)C2)c(F)c1 2194703256 SNKKQJROOVSVPZ-ONGXEEELSA-N 302.305 3.186 10 10 DGCE CO[C@@H]1CC[C@@H](N(C)Cc2c(O)cccc2Br)C1 2067116397 ZYQHWVBPFVBMGD-GHMZBOCLSA-N 314.223 3.154 10 10 DGCE CCN1CCc2cc([C@H](N)c3occc3Br)ccc21 2106796690 TUGXEBVTYLJOGM-AWEZNQCLSA-N 321.218 3.473 10 10 DGCE CNCc1ccc(N2C[C@H]3CC[C@@]3(C)C2)cc1Br 2086872336 IHVFSWBIJHJRHK-DOMZBBRYSA-N 309.251 3.405 10 10 DGCE CSc1ncc(CNC(=O)Cc2ccc(S)cc2)s1 2269318786 JPCCCOZVGIHNMY-UHFFFAOYSA-N 310.469 3.013 10 10 DGCE CNCc1ccc(N(C)CC2(Cl)CC2)c(Br)c1 2216160653 ZYILIJBOBMVEPW-UHFFFAOYSA-N 317.658 3.376 10 10 DGCE CN1C[C@@H]2CCC[C@H](C1)N2Cc1cc(Cl)cc(Cl)c1O 2234737805 LUPHMWIUQPMMCW-BETUJISGSA-N 315.244 3.368 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@H]1CO[C@H]2C[C@@H]1C2 2226354922 HVZIJSAKKXAYDV-PTOFAABTSA-N 302.201 3.214 10 10 DGCE CCN(C=C1SC(=S)N(c2ccc(OC)cc2)C1=O)CC 2293215305 HAXOHSVDCQVYOK-UHFFFAOYSA-N 322.455 3.243 10 10 DGCE CN(C)c1ccc(C=C2NC(=S)N(c3ccccc3)C2=O)cc1 2293034693 ANHDDOVYDLLMCS-UHFFFAOYSA-N 323.421 3.015 10 10 DGCE CSc1ncc(CNC[C@@H]2CN[C@@H]3CCCC[C@@H]3C2)s1 2284728902 PCCXUARQAUIFRJ-YRGRVCCFSA-N 311.520 3.123 10 10 DGCE CC1(C)CN(C(=O)C=Cc2cncc(F)c2)c2ccccc2O1 2301506394 VSXVHPQNUPAKGC-UHFFFAOYSA-N 312.344 3.438 10 10 DGCE Cc1c(NC(=O)C=Cc2ccc(O)c(O)c2)cccc1N(C)C 2308009299 MTZPABWYSYVXFB-UHFFFAOYSA-N 312.369 3.124 10 10 DGCE C[C@@H](N)c1ccc(N2Cc3cccnc3C2)c(Br)c1 2336978222 UJLXABRBHQGWAZ-SNVBAGLBSA-N 318.218 3.384 10 10 DGCE CCO[C@@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)C(C)C 1349120118 XJZMMIJXCMHEBP-GOSISDBHSA-N 318.461 3.306 10 10 DGCE c1ccc(C2(CNCc3ccc4c(c3)CCO4)CCOCC2)cc1 121892972 NOIRHTSONHFSQV-UHFFFAOYSA-N 323.436 3.460 10 10 DGCE CC1(C)CN(c2ccc(/C=C\C(=O)O)cc2Br)C1 311149865 IJBWCKHWCJXDDS-XQRVVYSFSA-N 310.191 3.393 10 10 DGCE CCN(C)c1ccc([C@H](C)N[C@@H](C)C(=O)N2CCCCC2)cc1 89593717 QHZSUEWPXLIACG-HOTGVXAUSA-N 317.477 3.194 10 10 DGCE O=C1N[C@H](c2cc(Cl)c3ccccc3c2O)N2CCCC[C@H]12 91516400 MIYSOTRUHSOVJK-ZBFHGGJFSA-N 316.788 3.182 10 10 DGCE CCCN[C@@](CC)(CCCSc1nccs1)C(=O)O 233152574 DOJPGUMSZGPDCO-ZDUSSCGKSA-N 302.465 3.248 10 10 DGCE C[C@H](CO[C@H]1CCOC1)N[C@H](C)c1cc2c(cc1O)CCCC2 248482829 CFHCFJITWLJPTD-CPUCHLNUSA-N 319.445 3.116 10 10 DGCE CCN[C@@H]1C(=O)Nc2cc(N3C[C@H](C)C[C@H]3C)c(Cl)cc21 253074001 PHKFMIZCZFXJRT-FCHSOHFDSA-N 307.825 3.177 10 10 DGCE COC[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccccc1 273447793 FLNOIHAAEABZBF-MLGOLLRUSA-N 316.357 3.339 10 10 DGCE C[C@H](CC(=O)NCc1cc(Br)ccc1O)C1CC1 804735208 PKKPKJLDDFVJTG-SECBINFHSA-N 312.207 3.207 10 10 DGCE CN(Cc1cc(Cl)ccc1O)C[C@@H]1COCCC1(F)F 2166665415 JKWFJPJRVKRUJQ-LLVKDONJSA-N 305.752 3.149 10 10 DGCE CCN1CCc2cc([C@@H](O)c3ncc(SC)s3)ccc21 2163067798 AJAYTDNIWOSRTI-CQSZACIVSA-N 306.456 3.329 10 10 DGCE C[C@H](N)c1ccc(N(C)Cc2cnn(C)c2Cl)c(Cl)c1 2166115763 WDGHPHUVLHTLOM-VIFPVBQESA-N 313.232 3.383 10 10 DGCE O=C(/C=C\[C@@H]1CCCO1)NCc1ccc(N2CCCCC2)cc1 819183165 AJMUZNAJQXCTRK-LENZSSGSSA-N 314.429 3.028 10 10 DGCE Oc1ccc(Cl)cc1CN[C@@H]1CCO[C@@H](c2cccnc2)C1 824932074 IWEZCEFGONPPPJ-NVXWUHKLSA-N 318.804 3.451 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CC23CC3)cc1 823857491 CBCJYAPOZZJELN-MRXNPFEDSA-N 301.434 3.227 10 10 DGCE Nc1ccc(C[S@](=O)c2ccccc2Br)cc1 42372894 FCAPGGXQILNMHN-QGZVFWFLSA-N 310.216 3.339 10 10 DGCE C[C@@H](CO)C1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 846057222 FMBUFMMBPYRCDD-AWFCHZOYSA-N 302.462 3.106 10 10 DGCE COCC1(CN[C@@H](C)c2ccc(Br)cc2O)CC1 848560267 BYPQAENHEFIAJW-JTQLQIEISA-N 314.223 3.232 10 10 DGCE FC(F)(F)[C@H](C[C@@H]1CCCO1)NCc1ccc2c(c1)CCO2 848573857 KLEPEIODGUBHMR-ZFWWWQNUSA-N 315.335 3.211 10 10 DGCE O=C(O)c1cccc(CCNCc2c(O)ccc(Cl)c2F)c1 756299393 XRPKHSPNAOGFFV-UHFFFAOYSA-N 323.751 3.215 10 10 DGCE CC[C@@H](CC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)C(C)C 855228852 FJCKYHYECBOXCW-HOTGVXAUSA-N 318.461 3.462 10 10 DGCE C[C@@H]1CNc2cc3c(cc2N1Cc1cccs1)OCCO3 57924720 YPATVSLGVOWCAH-LLVKDONJSA-N 302.399 3.340 10 10 DGCE Cc1ccc(O)c2c1[C@H](C)C[C@H]2NC[C@@]1(OC(C)C)CCOC1 1119606939 UXOKISUAXULVOH-CLCXKQKWSA-N 319.445 3.423 10 10 DGCE Cc1cc(N(C)C)ccc1CNc1nccn2c(C(C)C)nnc12 777762393 JDGNGUPVLSQGFH-UHFFFAOYSA-N 324.432 3.234 10 10 DGCE CN(C)c1ccc(CNC(=O)C23CC(C(F)(F)F)(C2)C3)cc1 776605365 ZCFSSAWTPMRMPP-UHFFFAOYSA-N 312.335 3.101 10 10 DGCE CC(C)[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1 783717829 MEZBNVQWJABNDF-GOSISDBHSA-N 302.462 3.391 10 10 DGCE O=C(NCc1ccccc1O)c1ccc([C@@H]2CCCOC2)cc1 780452165 RRMDPHQCFSEBKR-QGZVFWFLSA-N 311.381 3.216 10 10 DGCE Cc1cc(CCNC(=O)C2=CCOCC2)c(C)n1-c1ccccc1 792884933 DJHIKWGPYICWRH-UHFFFAOYSA-N 324.424 3.100 10 10 DGCE Fc1cc(-c2nc(-c3ccncn3)no2)ccc1-n1cccc1 799188482 UBKOUGOZTLZRAZ-UHFFFAOYSA-N 307.288 3.123 10 10 DGCE C[C@@H](c1cc(Br)ccc1O)N1[C@H](C)COC[C@H]1C 688899662 CTIZEBFMDMLDBO-MXWKQRLJSA-N 314.223 3.325 10 10 DGCE CN1CCCc2cc(CN[C@@H]3CCN(C)[C@@H]4CCC[C@H]34)ccc21 796726888 GIUFSKXTQIACGC-QWFCFKBJSA-N 313.489 3.031 10 10 DGCE C[C@@H](O)c1ccc(N2CC(OCc3ccccc3)C2)c(F)c1 1958983741 QNBYFJONDJRRJX-CYBMUJFWSA-N 301.361 3.284 10 10 DGCE C[C@H](O)c1ccc(N2CCO[C@@H](C(F)(F)F)C2)cc1Cl 698774639 RXKZYFONGRDXFB-QPUJVOFHSA-N 309.715 3.161 10 10 DGCE CCCC(=O)c1ncccc1NCc1ccc(OC)cc1O 1327697519 GRYGFUFSYZDELV-UHFFFAOYSA-N 300.358 3.391 10 10 DGCE Oc1cccc(Br)c1CNC[C@H]1C[C@H]2C=C[C@H]1C2 1658755995 MEUGQRJTQHETPO-SDDRHHMPSA-N 308.219 3.457 10 10 DGCE [N-]=[N+]=N[C@@H]1CCN(C(=O)CCc2cccc(Br)c2)C1 1912164188 TXYARNYDFVUWTL-GFCCVEGCSA-N 323.194 3.293 10 10 DGCE Cc1cc(CN)ccc1N(Cc1ccccc1)[C@H](CO)C(C)C 1915326919 YQBLWYISHGJVRY-HXUWFJFHSA-N 312.457 3.477 10 10 DGCE C[C@H](O)CCNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 1458496936 AFVPKYHIUVTXLF-LBPRGKRZSA-N 314.341 3.009 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)C[C@@H]2CC[C@H](C)C2)cc1 1530908083 XHEHTSZVSXNJJS-JKSUJKDBSA-N 318.461 3.416 10 10 DGCE CO[C@H]1CC[C@H]1N(C)C(=O)c1ccc(-n2c(C)ccc2C)cc1 1539778407 SBBRCHHTSOQIEA-MSOLQXFVSA-N 312.413 3.344 10 10 DGCE COc1ccc(N(C)Cc2nc(-c3cc(C)ccn3)no2)cc1 1619791560 CUBDYOHBSUOPSJ-UHFFFAOYSA-N 310.357 3.085 10 10 DGCE CCCC(C)(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 1616867274 SVESEHSZNREXQW-KRWDZBQOSA-N 319.493 3.298 10 10 DGCE O=C(NCc1c(O)cccc1O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 1635846999 GBUHZLFFCPRRIY-MELADBBJSA-N 303.402 3.321 10 10 DGCE CC[C@@H](CO)[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1927309744 ORKHIIAKZQBLBZ-XJKSGUPXSA-N 322.449 3.337 10 10 DGCE C[C@@H](CC(=O)NCc1ccc(O)cc1O)c1ccc(F)cc1F 1630301915 NCGGPACTXUUYEJ-JTQLQIEISA-N 321.323 3.186 10 10 DGCE C[C@@H]1[C@@H]([C@H](N)c2ccccc2O)CCN1C(=O)OC(C)(C)C 1928479862 AGXPYJUFUNREHG-XUJVJEKNSA-N 306.406 3.038 10 10 DGCE CCc1ncc(C(=O)NCc2c(O)ccc3ccccc23)s1 1597737559 ZPGNEJPUVJDJOP-UHFFFAOYSA-N 312.394 3.494 10 10 DGCE CNCc1ccc(N2C[C@H](C)OC[C@H]2C)c(C(F)(F)F)c1 163675312 IIBILLJLPANQPF-MNOVXSKESA-N 302.340 3.038 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1ccn2ccnc2c1 152898434 WSACMDAHVHIKRQ-UHFFFAOYSA-N 309.369 3.092 10 10 DGCE O=C(c1ccco1)N1CCN(/N=N/c2cccc(Cl)c2)CC1 1860486497 HMIDPTLZAZSZQH-ISLYRVAYSA-N 318.764 3.390 10 10 DGCE CCN(CC)c1ccc([C@@H]2NCCc3nc4ccccn4c32)cc1 821242165 PZQOZPSDKABJQB-IBGZPJMESA-N 320.440 3.416 10 10 DGCE Oc1cc(Br)ccc1CN[C@H](CF)C(F)(F)F 2012893361 ARNCOLGOOBXKEN-SECBINFHSA-N 316.092 3.145 10 10 DGCE Nc1ccc(CCC(=O)N[C@@H]2CC[C@H]2OCc2ccccc2)cc1 1950400228 BPLPCYNYGFPWNM-RTBURBONSA-N 324.424 3.065 10 10 DGCE Oc1c(Br)cc(Cl)cc1CNC1[C@@H]2CC[C@@H]12 1976582648 PXSQVZYHRNTHBF-RKDXNWHRSA-N 302.599 3.306 10 10 DGCE CCCN(Cc1ccc(N)cc1)C1CN(C(=O)OC(C)(C)C)C1 1977925923 MXRWEEAAKXMRJR-UHFFFAOYSA-N 319.449 3.100 10 10 DGCE Cc1ccc(O)c(CN[C@H](C)C(C)(C)NC(=O)OC(C)(C)C)c1 1991719992 NNAXCGNZUVKITK-CYBMUJFWSA-N 322.449 3.482 10 10 DGCE C[C@@H]1C[C@@H](N(C)c2ccc(CO)c(Br)c2)CS1 2015481542 KSSBLHHGOZPJMC-BXKDBHETSA-N 316.264 3.272 10 10 DGCE CC(C)N1CCC[C@H](Nc2c(N)cccc2Br)C1 2040903811 TUZGLLVFGIPHDB-NSHDSACASA-N 312.255 3.316 10 10 DGCE CCOC(=O)[C@@H](NCCCN=[N+]=[N-])c1ccsc1Cl 312661669 KEDWTQZAKWLNCY-VIFPVBQESA-N 302.787 3.296 10 10 DGCE CN(CCOC(C)(C)C)c1ccc(CN)c(Br)c1 690121621 WKYYUTSQLAXWEK-UHFFFAOYSA-N 315.255 3.159 10 10 DGCE C[C@H]1CN(Cc2ccc(Br)cc2O)CC[C@@H](C)O1 691680586 MMITXDZFWDSDAV-MNOVXSKESA-N 314.223 3.154 10 10 DGCE C[C@H](N[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)c1ccc(O)cc1O 381666847 BGUKIIQIZUDNFV-WOPDTQHZSA-N 324.421 3.050 10 10 DGCE Cc1cc(N(C)[C@@H]2CS[C@H](C(F)(F)F)C2)ccc1CN 2189452291 AIJGIBVTEGHJEW-STQMWFEESA-N 304.381 3.326 10 10 DGCE Oc1c(F)cc(Br)cc1CNOCC1(F)CCC1 2057654286 ALQIOYIOUXEPJI-UHFFFAOYSA-N 322.149 3.207 10 10 DGCE C[C@H](c1ccc(Cl)cc1O)N1CCN(CCCF)CC1 2203362228 CZBONGKDPKCUQC-GFCCVEGCSA-N 300.805 3.084 10 10 DGCE C[C@@H](Nc1cnncc1Br)c1ccc(N(C)C)cc1 2208593301 NCDKZSZHAIGRSO-SNVBAGLBSA-N 321.222 3.478 10 10 DGCE OCc1ccc(N2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2)c(Br)c1 2228692171 TVXRCQRHBXQFKY-CRWXNKLISA-N 320.230 3.200 10 10 DGCE CCN(C(=O)c1cocc1Br)c1ccc(N)cc1 2258112569 VILOCUFVLQNCAV-UHFFFAOYSA-N 309.163 3.291 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)c1c(Cl)ccc(Cl)c1N 2286897346 UTKWFJWVBYNGSS-ZETCQYMHSA-N 314.176 3.491 10 10 DGCE CCN(C(=O)C=Cc1ccc(O)c(O)c1)c1ccc(F)cc1 2307982119 ORZFOKDRAUJNBH-UHFFFAOYSA-N 301.317 3.303 10 10 DGCE Cc1ccc(CN(C)CC2(F)CC2)c(O)c1Br 2307465687 IKWHQYISNWLZNA-UHFFFAOYSA-N 302.187 3.397 10 10 DGCE CCCC1=NN(c2ccccn2)C(=O)C1=Cc1ccccc1O 2332140381 BGMZGRKLAPFZBN-UHFFFAOYSA-N 307.353 3.374 10 10 DGCE COc1ccc(N(CCCN)CCOCc2ccccc2)cc1 304623073 PMKOSBRFFCJLPW-UHFFFAOYSA-N 314.429 3.067 10 10 DGCE Oc1ccc(CCNc2ncnc3cc(Cl)ccc23)cc1O 301594137 RLHIXDHWCRVFLH-UHFFFAOYSA-N 315.760 3.349 10 10 DGCE Cc1c(O)cccc1C(=O)NCc1c(O)ccc2c1CCCC2 121148621 SYPFEZYVWRMTJS-UHFFFAOYSA-N 311.381 3.215 10 10 DGCE CN1CCc2cc([C@@H](CN)Nc3cccc(Cl)c3)ccc21 87913465 ZVQGNSDQSMBSFM-MRXNPFEDSA-N 301.821 3.444 10 10 DGCE Cc1cccc(CNC[C@@H]2CCCN2C(=O)OC(C)(C)C)c1O 224829865 SZFFWUDMDODBEL-HNNXBMFYSA-N 320.433 3.190 10 10 DGCE CCN(C(=O)c1ncccc1Br)c1ccc(N)cc1 231755794 ZAKICXNZGJQTED-UHFFFAOYSA-N 320.190 3.093 10 10 DGCE C[C@H](N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccc(N(C)C)cc1 248710091 IXLYGSTUUNFSQQ-LIRZEXBASA-N 300.446 3.361 10 10 DGCE CCN(Cc1cc2c(cc1O)OCO2)[C@@H](C)c1cccnc1 290447355 MEEKMEGUVVHEQZ-LBPRGKRZSA-N 300.358 3.099 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C)COCC 802299277 BOFBPHQAYCQULW-AWEZNQCLSA-N 308.422 3.129 10 10 DGCE CCCn1cc(CNCc2cc(Br)ccc2O)cn1 809713157 KFICTHLXSKNGFC-UHFFFAOYSA-N 324.222 3.051 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CSC1(C)C 802529962 KKFNKGAKCIFXQI-OAHLLOKOSA-N 321.490 3.178 10 10 DGCE CCN1CCc2cc([C@H](NC)c3scnc3Cl)ccc21 2164125990 VDANUXATFHFVEH-ZDUSSCGKSA-N 307.850 3.488 10 10 DGCE CCc1cc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)no1 739827240 SINSMHAGJCWWGA-UHFFFAOYSA-N 310.357 3.292 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCOC[C@@H]2CC(F)F)cc1 835053549 NWKVJINSAHYGNP-QGZUEGPWSA-N 310.388 3.122 10 10 DGCE C[C@@H](CCCCC(=O)O)NC/C=C\c1ccc(N(C)C)cc1 903990910 FFDJBRIYYSYZNN-LYASGUKUSA-N 304.434 3.389 10 10 DGCE CC(C)(C)OC(=O)N1CCC(=CCOc2ccc(N)cc2)C1 1952615477 KOYNYQCGJKLOGS-UHFFFAOYSA-N 304.390 3.215 10 10 DGCE NC[C@H]1c2ccccc2CCN1Cc1cc(Cl)cc(F)c1O 843129618 QMDLBTOFOTZJIO-INIZCTEOSA-N 320.795 3.243 10 10 DGCE CCC[C@H](NC(=O)C(=O)Nc1ccc(N)cc1)C1CCCCC1 841028258 NVKZNPPMQWFZFD-INIZCTEOSA-N 317.433 3.073 10 10 DGCE COc1cc(Br)cc([C@H]2NCCCC2(F)F)c1O 1952954761 OSPUAPCPYUHFQS-LLVKDONJSA-N 322.149 3.223 10 10 DGCE CCN(CC)c1ccc(CN2CCCC[C@@H]2[C@H]2CCNC2)cc1 841086248 GPMAUTXMAXRQBB-AZUAARDMSA-N 315.505 3.497 10 10 DGCE C[C@H](NC(=O)OC(C)(C)C)C(F)(F)COc1ccc(N)cc1 1953013172 QXWCEEDDDKMISX-JTQLQIEISA-N 316.348 3.196 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@H](C2CC2)[C@H]2CCCCO2)c1 848558901 PPBRQOITBNMPOL-JBBXEZCESA-N 305.418 3.399 10 10 DGCE CC[C@@](C)(NCc1ccc(N2CCOCC2)c(F)c1)C1CC1 850383524 GSABYNUMHBDZMQ-GOSISDBHSA-N 306.425 3.331 10 10 DGCE CCN(CC)c1ccc(CN(C)C[C@H](OC)[C@H]2CCOC2)cc1 851717015 UKHJWWQRUFHZGV-HKUYNNGSSA-N 320.477 3.016 10 10 DGCE CN(C)c1ccc(CNC(=O)C(C)(C)CC(F)(F)F)cc1 854271653 OOMGEPXESOYDTK-UHFFFAOYSA-N 302.340 3.347 10 10 DGCE CC(NCc1ccc(N2CCOCC2)c(F)c1)(C1CC1)C1CC1 850398277 MLVPFQCXFWVEQC-UHFFFAOYSA-N 318.436 3.331 10 10 DGCE Cc1cc(CN2CC[C@@H]3COC[C@@H]3C2)c(O)c(C(C)(C)C)c1 853586035 LRHYDHAUIPULFS-ZBFHGGJFSA-N 303.446 3.466 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CC12CCCC2 758790770 OGGFSNIQJYPOPX-MRXNPFEDSA-N 301.434 3.193 10 10 DGCE COC(=O)/C=C/c1ccc(N(C)[C@H](C)C2CC2)c([N+](=O)[O-])c1 931454112 QUNDFIWRUGLCRG-FZPLPXEFSA-N 304.346 3.016 10 10 DGCE COc1ccccc1CCNC(=O)N[C@@H](C)c1ccccc1O 867955844 HXCXLAOMRKVTFU-ZDUSSCGKSA-N 314.385 3.004 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCCCCC(=O)C1 935945520 ANAMXQHXAKDRFC-ZDUSSCGKSA-N 324.417 3.034 10 10 DGCE COc1ccc(N2CCN(C(=O)[C@@H](C)CC(C)(C)C)CC2)cc1 771869813 YOBPASMNTQUMGV-HNNXBMFYSA-N 318.461 3.416 10 10 DGCE C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CC1(C)C 785437858 ZWLIFBKKEIKCDT-HNAYVOBHSA-N 316.489 3.420 10 10 DGCE COc1cc(O)c(CN2CC[C@]3(CC[C@@H](C)C3)C2)cc1OC 781585828 IRBAAXNLECOQIY-ACJLOTCBSA-N 305.418 3.422 10 10 DGCE COc1ccc(N2CC[C@H](CNC3CCCC3)C2)cc1OC 76379019 QOYDOQUJGFMMBQ-CQSZACIVSA-N 304.434 3.062 10 10 DGCE C[C@H](CCOCc1ccccc1)NCc1ccc(O)cc1O 389947805 QZGAFLUGMINZAW-CQSZACIVSA-N 301.386 3.183 10 10 DGCE CCNCc1cc(F)c(N(C)C[C@@H]2CCCS2)c(F)c1 718229651 GSXWJWMTZQZOGR-LBPRGKRZSA-N 300.418 3.406 10 10 DGCE COc1ccc(N2CCN(CCCC3CC3)CC2)c(OC)c1 1308017132 SMYRRHQABDPWBC-UHFFFAOYSA-N 304.434 3.016 10 10 DGCE CC[C@@H](NC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)C1CC1 1312884993 LGABQJUVNKWVAK-RDTXWAMCSA-N 317.477 3.480 10 10 DGCE CN(c1ccc(CO)c(Br)c1)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21 2116357430 UBDJIFPXGAQNHN-QPVMMRRFSA-N 322.246 3.422 10 10 DGCE [N-]=[N+]=NCC1(CNC(=O)c2ccc(Cl)nc2Cl)CC1 2117725349 SBHXFPHXGIJDJR-UHFFFAOYSA-N 300.149 3.209 10 10 DGCE CCCN[C@@H]1C[C@H](Sc2nccs2)CC[C@@H]1COC 2127232712 YCVGBKSGDUSUFA-JHJVBQTASA-N 300.493 3.419 10 10 DGCE CN1CCCc2cc(CNC(=O)N3C[C@H]4CC[C@@H](C4)C3)ccc21 1330666380 RHHFJGYDUXALQT-HOTGVXAUSA-N 313.445 3.011 10 10 DGCE C[C@@H](N[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)c1ccccc1O 1904217759 GOGBMZCJJASVML-FZKQIMNGSA-N 320.433 3.442 10 10 DGCE CN(C)c1ccc(OCC[C@@H](N)COCc2ccccc2)cc1 1902792229 HSTWRLDDNAUANP-QGZVFWFLSA-N 314.429 3.066 10 10 DGCE Cc1ccoc1CC(=O)N(C)Cc1ccc(N2CCCC2)cc1 1351673667 MPNCQURZVJYFPM-UHFFFAOYSA-N 312.413 3.389 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN(C(=O)c2cccc(Br)n2)C1 1912151270 FKZGJMYDYYGSAY-VIFPVBQESA-N 324.182 3.007 10 10 DGCE COc1ccc(CN[C@@H](C)CN(C)C(=O)CC(C)(C)C)cc1C 1283572656 NLJBJOGRQMDSDE-HNNXBMFYSA-N 320.477 3.376 10 10 DGCE C[C@H](Cc1cccs1)N(C)C(=O)/C=C\c1ccc(O)c(O)c1 1294431576 MRRYWGMRNJJXHO-XYLWRLHESA-N 317.410 3.262 10 10 DGCE O=C(Nc1ccccc1[C@H](O)C(F)(F)F)c1cc(O)cs1 1466471104 PKCKQRHHBCRBKH-NSHDSACASA-N 317.288 3.302 10 10 DGCE O=C(Cc1ccc(F)c(F)c1)NCc1cccc(Cl)c1O 1606859995 DRZOBZSSSULBGE-UHFFFAOYSA-N 311.715 3.183 10 10 DGCE CC(C)(C)OC(=O)N[C@@H](CN)c1c(O)ccc2ccccc12 1535969223 KZCBTUPGCRNHQH-ZDUSSCGKSA-N 302.374 3.070 10 10 DGCE O=C(NCc1cscc1Cl)NCc1c(O)cccc1F 1471357593 FJJZKGCILFBHRH-UHFFFAOYSA-N 314.769 3.246 10 10 DGCE Cc1cc(CC(=O)N2CCCC(=O)[C@@H]2C)c(C)n1-c1ccccc1 1639860703 ICDZRWYDDRGKGX-INIZCTEOSA-N 324.424 3.217 10 10 DGCE C[C@@H](NC(=O)c1scnc1C(F)(F)F)c1ccccc1O 1642827452 JHMYFHUPIJOLJD-SSDOTTSWSA-N 316.304 3.359 10 10 DGCE CC[C@H](C[C@@H](NC)c1ccccc1O)NC(=O)OC(C)(C)C 1928473627 CZHFOTSQGSIYKQ-TZMCWYRMSA-N 308.422 3.346 10 10 DGCE COCCNCc1ccc(N(CC2CC2)C2CC2)c(Cl)c1 164106608 JFMURZFPAFLTHM-UHFFFAOYSA-N 308.853 3.455 10 10 DGCE CNCc1ccc(N2C[C@@H](C)OC[C@H]2C)cc1C(F)(F)F 167358045 QIKMMGSSCHQOPQ-GHMZBOCLSA-N 302.340 3.038 10 10 DGCE CC(C)SC1CN(c2ccc(CN)cc2Br)C1 1948316461 YARRSNQISVVXDW-UHFFFAOYSA-N 315.280 3.238 10 10 DGCE CN(Cc1ccccc1)/N=N/c1ccc2c(c1)OCC(=O)N2C 1860487559 DQACVACRZINTRQ-VHEBQXMUSA-N 310.357 3.173 10 10 DGCE CC(C)(C)OC(=O)NC1CC2(C1)C[C@H]2[C@H](N)c1ccccc1O 1940166187 UXYDKPXWAJYHCD-RXIQVWOQSA-N 318.417 3.085 10 10 DGCE Cc1ccc(O)c(CNCCC(=O)NC2CCCCCCC2)c1 1857861803 KVFCPUKIQLRGHN-UHFFFAOYSA-N 318.461 3.409 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H]2CCN(CCCN=[N+]=[N-])C[C@@H]21 1962298054 BRMHBTZACPGMFG-OLZOCXBDSA-N 309.414 3.018 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(CCCCN=[N+]=[N-])C[C@H]21 1982245221 DAQUTYJYDSHIQE-BFHYXJOUSA-N 323.441 3.312 10 10 DGCE Oc1c(Br)cccc1CNC[C@@H]1CCC1(F)F 2011542381 WADNNUJXXCIUTF-VIFPVBQESA-N 306.150 3.290 10 10 DGCE Cc1nc(Br)sc1CN1CC[C@H](CN=[N+]=[N-])C1 2011869825 JZBRTAREVIGFKR-MRVPVSSYSA-N 316.228 3.346 10 10 DGCE CN(Cc1cc(Br)ccc1O)[C@@H]1CCOC1(C)C 2036277929 AZMWMYVUIPMVHO-CYBMUJFWSA-N 314.223 3.154 10 10 DGCE C[C@@H]1C[C@@H](CCNCc2c(O)cccc2Br)CO1 2041487046 QFMPBJQYQSGOPR-GHMZBOCLSA-N 314.223 3.059 10 10 DGCE CCCN[C@]1(C(=O)O)CCC[C@H](Sc2nccs2)[C@@H]1C 2175812148 XSTGMHXGDSZRNM-COPLHBTASA-N 314.476 3.247 10 10 DGCE Cc1ccc(Br)c(N(C)Cc2ccc(N)cc2)n1 712334492 GNCBWPHXGXQNMT-UHFFFAOYSA-N 306.207 3.371 10 10 DGCE Oc1c(F)cc(Br)cc1CN1CCC[C@@H](CF)C1 715806057 PHWWRFQAFLOSQS-VIFPVBQESA-N 320.177 3.475 10 10 DGCE Nc1ccc(C[C@H](O)Cc2ccc(Br)cc2)cc1 696516787 ZZOGMRHBWYCQGZ-OAHLLOKOSA-N 306.203 3.177 10 10 DGCE CC(C)c1cnn(Cc2cc(Br)ccc2O)c1O 2070222319 OCGZRCNCIDWMJK-UHFFFAOYSA-N 311.179 3.229 10 10 DGCE CNCc1ccc(N(C)CC2[C@H]3CC[C@H]23)c(Br)c1 2041991112 RLVNGNJGLZJWFL-RYUDHWBXSA-N 309.251 3.261 10 10 DGCE CCNCc1ccc(N2C[C@@H](F)C[C@@H]2C)c(Br)c1 2042209189 SYHDFCMILGMUMH-JQWIXIFHSA-N 315.230 3.495 10 10 DGCE CO[C@@H]1CC[C@@H](CNCc2ccc(Br)cc2O)C1 2054472222 UIEFQLIJHYXJBN-ZWNOBZJWSA-N 314.223 3.059 10 10 DGCE FC(F)(F)c1cnc(S)nc1C1=S=Nc2ccccc21 2203669413 GMNWUCGYAYYSPC-UHFFFAOYSA-N 313.329 3.264 10 10 DGCE CSc1ncc(CNCc2ccc(F)c(F)c2O)s1 2269281392 XWALMNWHUATZDB-UHFFFAOYSA-N 302.371 3.139 10 10 DGCE Cc1ccc(CN[C@@H]2CS[C@@H](C)C2)c(O)c1Br 2307477297 KZMHFKCYFHHPRI-ONGXEEELSA-N 316.264 3.447 10 10 DGCE CC(C)(C)[C@@H]1C[C@](Sc2nccs2)(C(=O)O)CCO1 2351991112 OFNCGMMYHDADKA-ZANVPECISA-N 301.433 3.284 10 10 DGCE Cc1ccccc1-n1c(C)cc(C(=O)N(C)[C@H]2CCOC2)c1C 106848757 WYOPHJSWISKHFR-INIZCTEOSA-N 312.413 3.263 10 10 DGCE O=C1N=C(Nc2ccccc2O)S/C1=C/c1cccc(O)c1 35638369 NYDSDEXVKGCYOQ-NTEUORMPSA-N 312.350 3.180 10 10 DGCE C[C@H](CN[C@H](C)c1cc2c(cc1O)CCCC2)Cn1ccnc1 185209419 HZESBKQJXDVSOC-HUUCEWRRSA-N 313.445 3.454 10 10 DGCE CCCNCc1ccc(OC)c(CSc2ncccn2)c1 81871106 NJZVTVINORXSNZ-UHFFFAOYSA-N 303.431 3.277 10 10 DGCE CC1(CNCc2cc(Br)ccc2O)CCOCC1 227835640 CUVSKFYYJXOICM-UHFFFAOYSA-N 314.223 3.061 10 10 DGCE CNCc1ccc(N(C)CCOCc2ccccc2)c(F)c1 384099840 AKHFLPTZAZTVNY-UHFFFAOYSA-N 302.393 3.198 10 10 DGCE CCN(CC(C)(C)O)c1ccc([C@@H](C)N)c(Br)c1 233465458 SIIUWWZTCDCVHI-SNVBAGLBSA-N 315.255 3.066 10 10 DGCE CCOc1cccc(CN2CCO[C@@H](c3cccs3)C2)c1O 92593974 QVICLMKYXZIETJ-OAHLLOKOSA-N 319.426 3.426 10 10 DGCE Cc1ccc(O)c(CN2CC[C@@H](OCc3c(C)noc3C)C2)c1 377668468 BUOLNKRLSPXCNX-MRXNPFEDSA-N 316.401 3.097 10 10 DGCE Oc1cccc2c1[C@H](NCc1ccnc(OC(F)F)c1)CC2 297239859 ILXBOYVIHHQWLN-GFCCVEGCSA-N 306.312 3.166 10 10 DGCE CNCc1ccc(N(C)Cc2csnc2OC)cc1Cl 723201896 MIYPBOWUHDBYMD-UHFFFAOYSA-N 311.838 3.161 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)c1ncc(SC)cn1 804562170 KDTICHYDYMJZHI-UHFFFAOYSA-N 302.447 3.291 10 10 DGCE COCC[C@H](COC)N[C@H](C)c1ccc(N2CCCCC2)cc1 810257209 NEUPWFWMMJWOKW-SJLPKXTDSA-N 320.477 3.379 10 10 DGCE COc1cnc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)nc1 813369860 BGZHPNLHCIXEDD-UHFFFAOYSA-N 322.368 3.145 10 10 DGCE CC(C)[C@H]1C[C@@H](CNCc2ccc(N(C)C)c(F)c2)CCO1 824798612 GFJDILMKUXHDMC-MAUKXSAKSA-N 308.441 3.433 10 10 DGCE CC[C@H]1CCCN1c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] 727826167 AUIOZWHPSBKBMQ-XOVSCCBYSA-N 304.346 3.160 10 10 DGCE COc1cccc(O)c1CN[C@@H](c1ccccc1)[C@H](O)C(C)C 827526141 HKXBEHODUBRKQR-RBUKOAKNSA-N 315.413 3.249 10 10 DGCE C[C@H](NC[C@@H]1CC[C@H](C(F)(F)F)O1)c1c(O)cccc1F 903176583 QOKTVZBHBKXICI-HOTUBEGUSA-N 307.287 3.292 10 10 DGCE COCCCn1ccc(NC/C=C\c2ccc(N(C)C)cc2)n1 835043937 WOAGRMUYPPNBTJ-XQRVVYSFSA-N 314.433 3.111 10 10 DGCE CN(C)c1ccc(/C=C\CNC(C)(C)CN2CCCC2)cc1 835054884 MQOYRMLTKRFXGQ-FPLPWBNLSA-N 301.478 3.230 10 10 DGCE CCC[C@@H](C)[C@H](CO)NC1CCN(c2ccc(OC)cc2)CC1 846018686 VZYZGCMBQZFBGA-BEFAXECRSA-N 320.477 3.051 10 10 DGCE CC[C@H](C)C[C@@H]1NC(=O)N([C@H](C)c2ccc(N(C)C)cc2)C1=O 843307175 CXCCZFSLBWGVBS-ZENOOKHLSA-N 317.433 3.170 10 10 DGCE C[C@@H](NC[C@@H](O)Cc1ccccc1)c1ccc(Cl)cc1O 841746551 HTTBRQAZQWDNMV-DOMZBBRYSA-N 305.805 3.300 10 10 DGCE CN(C)c1ccc(/C=C/CNc2cccc3c2CCNC3=O)cc1 840973925 RUIFGLCFVLBSTP-SNAWJCMRSA-N 321.424 3.164 10 10 DGCE COc1ccc(O)c([C@@H](C)N[C@H]2c3ccccc3CC[C@H]2O)c1 927138907 IDMFCPQRLHXNOY-DPMMWBKBSA-N 313.397 3.100 10 10 DGCE C[C@H](NC[C@H]1CNCCC1(F)F)c1ccc2ccccc2c1O 925787016 YRKGHOPMSWGIAE-GXTWGEPZSA-N 320.383 3.441 10 10 DGCE CN(C)c1ccc(CN2C[C@@]34CCCC[C@]3(COC4)C2)cc1 852758310 DCIWDJMGCMGBCQ-RTBURBONSA-N 300.446 3.145 10 10 DGCE C[C@@H](NC(=O)N[C@H]1C[C@H](OC(C)(C)C)C1)c1ccccc1O 868752254 NSGHGJPOYNORGZ-JHJVBQTASA-N 306.406 3.099 10 10 DGCE C[C@H](NCC(=O)Nc1ccccc1F)c1ccc(N(C)C)cc1 775832762 BNBRELNJYVTYQM-ZDUSSCGKSA-N 315.392 3.181 10 10 DGCE CCCn1nccc1NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 775432639 KTHVBOSCHHWBNP-CYBMUJFWSA-N 315.421 3.242 10 10 DGCE Cc1sccc1CC(=O)NCCCSc1nccs1 786976215 VCZOQLLEYCIGGX-UHFFFAOYSA-N 312.485 3.354 10 10 DGCE COc1cc(C)cc(CN[C@@H](C(C)C)C2(CO)CC=CC2)c1O 895088462 ZIGCFOBMXKTPBU-SFHVURJKSA-N 319.445 3.152 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)c2cc3[nH]ccc3s2)c1 793689934 QKZPNHGTVNMMGU-SECBINFHSA-N 316.382 3.435 10 10 DGCE CC1(C)C[C@@H]1CNCc1cc(Br)cc(F)c1O 715745881 NUQXNAXJDBUDOM-SECBINFHSA-N 302.187 3.430 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)c1ccsc1Br 699134738 NGCYDHPVSOJMAX-SSDOTTSWSA-N 315.196 3.426 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccccc1OCCF 1159083498 DPNYITKUUIZGCE-VURMDHGXSA-N 317.316 3.098 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](Nc3ccc(N)cc3)[C@H]21 1959365686 ICMDARUUXDYNTQ-ILXRZTDVSA-N 303.406 3.079 10 10 DGCE O=C(CCC(=O)N1Cc2cccc(O)c2C1)c1cccc(F)c1 1302786878 KIKXOIJNPLCYSM-UHFFFAOYSA-N 313.328 3.037 10 10 DGCE C[C@H](NC(=O)[C@H]1CCC[C@H](N(C)C)C1)c1ccc(N(C)C)cc1 1154667939 AEBBDNCMSHANOY-ZVZYQTTQSA-N 317.477 3.050 10 10 DGCE O=C(c1nc(Cl)ccc1Cl)N1Cc2cccc(O)c2C1 1302787445 NGMDXTYAZRYOAG-UHFFFAOYSA-N 309.152 3.250 10 10 DGCE COc1ccc(N2CC[C@@H](CNc3nc(C)ncc3C)C2)cc1 1326886382 OMORSICSTLGNQY-HNNXBMFYSA-N 312.417 3.040 10 10 DGCE CCN(CC)c1ccc(CNC(=O)c2ncc3ccccn23)cc1 1357724196 LAAIMINZDPSGGL-UHFFFAOYSA-N 322.412 3.111 10 10 DGCE CN[C@@H](C)c1ccc(N2CC(N(C)Cc3ccccc3)C2)cc1 1914193999 QUTSOCOIMXTLBD-INIZCTEOSA-N 309.457 3.288 10 10 DGCE O=C(O)C=Cc1ccc(N2CC[C@H](F)C2)c(Br)c1 1912124554 CHJGUZYNSYEHRY-JTQLQIEISA-N 314.154 3.095 10 10 DGCE [N-]=[N+]=N[C@@H]1CCN(C(=O)c2cc(F)cc(Br)c2)C1 1912178891 PBLUSKGPRQXQIP-SNVBAGLBSA-N 313.130 3.113 10 10 DGCE CSCCCC(=O)N(C)Cc1ccc(N2CCCC2)cc1 1525107440 RTWDBOCSWGDZLL-UHFFFAOYSA-N 306.475 3.388 10 10 DGCE CN(C(=O)/C=C\c1ccc(Cl)nc1)c1cccc(Cl)n1 1524841721 QLBXALMBKJMQDF-VURMDHGXSA-N 308.168 3.460 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H]1c1cccc(F)c1 1542157205 NQQVMDJALXVBGE-HNNXBMFYSA-N 315.344 3.143 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)c2cc3ncccc3o2)c1 1631541936 CKHLYYYZXJAMAX-JTQLQIEISA-N 312.325 3.033 10 10 DGCE CN(C)C(=O)Sc1ccccc1NC(=O)c1cc(O)cs1 1632356563 JHAGJORPUNDZTC-UHFFFAOYSA-N 322.411 3.480 10 10 DGCE Oc1ccc(CNc2cscc2Br)c(O)c1O 1926861283 ARKOPVSNDGHCCZ-UHFFFAOYSA-N 316.176 3.240 10 10 DGCE O=C(NCc1ccc(O)cc1O)c1[nH]c2ccccc2c1Cl 1643100878 NOGJVPJOACKHTO-UHFFFAOYSA-N 316.744 3.163 10 10 DGCE O=C(CC[C@H]1CCc2ccccc21)NCc1c(O)cccc1O 1645362730 AOTPNDLUWNAOBZ-CQSZACIVSA-N 311.381 3.224 10 10 DGCE COc1ccc(O)c([C@H](C)NC[Si](C)(C)c2ccccc2)c1 1658023564 LKZWNDJSFJUQIX-AWEZNQCLSA-N 315.489 3.206 10 10 DGCE c1cc(N2CCCC2)ccc1CN[C@H]1CCO[C@H](C2CC2)C1 1650919127 QZPDESGLUXIVPN-HKUYNNGSSA-N 300.446 3.334 10 10 DGCE CN[C@H](c1ccccc1O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 1936986759 LPCXOFUEHZIWKH-ZENOOKHLSA-N 320.433 3.346 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CCN(CCN=[N+]=[N-])C2(CCC2)C1 1962288004 PNMKMRHENAXSAX-LBPRGKRZSA-N 309.414 3.209 10 10 DGCE C[C@H](c1ccccc1O)N(C)Cc1cc(Br)n(C)n1 1877523288 FBPYIOOQJNRUBB-SNVBAGLBSA-N 324.222 3.081 10 10 DGCE CCOc1cccc(CNCCC=CBr)c1O 1974435374 SDLZCLJAMFUEAU-UHFFFAOYSA-N 300.196 3.179 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCN(CCCN=[N+]=[N-])CC12CCC2 1982248670 XIBUNCUCDFCOAQ-CYBMUJFWSA-N 323.441 3.456 10 10 DGCE C[C@H](CN(C)Cc1ccccc1O)C(=O)OCc1ccccc1 1989685484 SVPKPZUESGTMMM-OAHLLOKOSA-N 313.397 3.204 10 10 DGCE C[C@H]1SCCS[C@H]1c1noc(Cc2ccc(N)cc2)n1 161939475 AJYRSIIIBXMLKR-NOZJJQNGSA-N 307.444 3.152 10 10 DGCE CC[C@H](NCc1cccc(C)c1O)[C@H](C)NC(=O)OC(C)(C)C 1994449793 KNLOTEXYUBGBGO-ZFWWWQNUSA-N 322.449 3.482 10 10 DGCE C[C@H](Sc1nccs1)C(=O)Nc1ccc(N)cc1Cl 40676553 CMOZMQJXFAEEQQ-ZETCQYMHSA-N 313.835 3.498 10 10 DGCE CN[C@@H](C)c1ccc(N2CC[C@@H]2CF)cc1Br 2011854380 KXIDHTWATCNOTC-GXSJLCMTSA-N 301.203 3.278 10 10 DGCE Cc1nc(CNCc2ccc(Br)cc2O)oc1C 691466925 ZSIPZSNUEMMIDD-UHFFFAOYSA-N 311.179 3.049 10 10 DGCE CN(CCCF)c1ccc(CNC2CC2)cc1Br 716825382 CGWUJGVSSHFFRX-UHFFFAOYSA-N 315.230 3.497 10 10 DGCE C[C@@H](O)c1ccc(N(C)[C@@H]2COCCC2(F)F)cc1Cl 2168226808 DKPLATSFEPSGTR-NOZJJQNGSA-N 305.752 3.254 10 10 DGCE Cc1cc([C@H](N)c2ccc3c(c2)CCN3C)oc1Br 2106848753 MHUHTTAVIBKETL-CQSZACIVSA-N 321.218 3.391 10 10 DGCE FC1(F)C[C@@]1(Cl)CNCc1ccc(N2CCCC2)cc1 2205573165 NCMMAUKLMLZOOC-CQSZACIVSA-N 300.780 3.393 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@@H]1NC(=O)c1csc(C(F)(F)F)n1 2234177818 WACKTLKKLQEGDE-WDSKDSINSA-N 305.285 3.123 10 10 DGCE C[C@@H](O)c1ccc(N(C)C[C@H](F)[C@@H]2CCOC2)cc1Cl 2238343267 MUKWIVYNJZMEQX-HFAKWTLXSA-N 301.789 3.204 10 10 DGCE CSc1ncc(Cn2cnc(Cl)c2CNC2CC2)s1 2269276836 AGKFPCAGUHBLDV-UHFFFAOYSA-N 314.867 3.015 10 10 DGCE CSc1ncc(CNC[C@@]23CCCC[C@@H]2NCCC3)s1 2284709707 FQIWNRRUCNUPPO-ZFWWWQNUSA-N 311.520 3.267 10 10 DGCE CCCNC(C)=C1C(=O)N(c2ccc(OC)cc2)N=C1CCC 2313681673 KQDKOMOTZBBDCK-UHFFFAOYSA-N 315.417 3.472 10 10 DGCE Oc1ccc(Br)cc1CNC[C@@H]1C[C@H]2C=C[C@@H]1C2 2309751727 SZEAQVDITGXVRO-TUAOUCFPSA-N 308.219 3.457 10 10 DGCE Cc1cc(C(=O)NCc2cscn2)c(C)n1-c1ccccc1 50685720 WHCAURSKEXBOOJ-UHFFFAOYSA-N 311.410 3.481 10 10 DGCE Cc1cc(O)c(O)cc1CCNC(=O)Nc1cccc(Cl)c1 170285915 KRNGOSNVLQXQHG-UHFFFAOYSA-N 320.776 3.424 10 10 DGCE CC(C)CN(CC(C)C)c1cc2c(cc1Cl)[C@H](N)C(=O)N2 118705561 UIDVPEIMYUEMTE-HNNXBMFYSA-N 309.841 3.410 10 10 DGCE CCOCCN(CC)c1c(F)cc(CNC(C)C)cc1F 111120859 XANAQQOPXAEWKT-UHFFFAOYSA-N 300.393 3.326 10 10 DGCE COC(=O)[C@@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1 123195005 KHIWMKZHRHLWFY-QGZVFWFLSA-N 316.445 3.062 10 10 DGCE Cc1cccc(O)c1NC1=NC(=O)/C(=C/c2ccccn2)S1 39869795 XCYWOZXGVHHWKD-LCYFTJDESA-N 311.366 3.178 10 10 DGCE C[C@@H](Cc1cccc(Cl)c1)NC(=O)Cc1ccc(N)cc1 37024315 KASFKDVSQSXIHZ-LBPRGKRZSA-N 302.805 3.212 10 10 DGCE Cc1ccc(O)c([C@@H](C)N[C@H](C)c2nnc3n2CCCCC3)c1 319814430 JDKHZDIMCLQASB-ZIAGYGMSSA-N 314.433 3.430 10 10 DGCE Cc1cc2c(n1-c1ccc(Br)cn1)CCC[C@H]2O 41714957 GCZQDDMSZCTJJQ-CYBMUJFWSA-N 307.191 3.313 10 10 DGCE CCn1ncc(CN[C@H](C)c2ccc(Cl)c(Cl)c2O)n1 527922173 CNVHBXBPPNFKST-MRVPVSSYSA-N 315.204 3.161 10 10 DGCE C[C@H](N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccc(F)c(F)c1O 249106591 QPBFPMJBRLWMGG-LLAGZRPASA-N 309.356 3.279 10 10 DGCE CC(=O)c1ccc(NC(=O)N(C(C)=O)c2ccc(N)cc2)cc1 240702184 AKOVXEXSISETEN-UHFFFAOYSA-N 311.341 3.056 10 10 DGCE Nc1ccc(CCNC(=O)/C=C\c2cccc3cccnc23)cc1 255035644 TYRBRIYGOCLFLV-FLIBITNWSA-N 317.392 3.189 10 10 DGCE CC[C@H](N[C@H]1CNCCC1(F)F)c1cc(Cl)ccc1O 817980114 IUUILYBMZUXUKA-AAEUAGOBSA-N 304.768 3.084 10 10 DGCE COC(=O)[C@](C)(CCF)NCc1ccc(N2CCCCC2)cc1 827352732 ODXIOPKIAMPGRE-SFHVURJKSA-N 322.424 3.058 10 10 DGCE C[C@H](C(=O)NCc1cc(Br)ccc1O)C1CCC1 837643763 QYPAJXNAIBANES-VIFPVBQESA-N 312.207 3.207 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CCCc2ccccc21 588403358 HTOFSFLZQXCOJH-SLWQEBJJSA-N 309.365 3.305 10 10 DGCE Cc1cc(O)c(CN2CC[C@@H](C(F)(F)F)[C@H](N)C2)c(Cl)c1 903983069 BFFQXZFXJBAXAU-ZYHUDNBSSA-N 322.758 3.066 10 10 DGCE CN(C)c1ccc(/C=C\CNCC[C@H](O)c2ccccc2)cc1 835052313 CDPRUZRXGTWUPJ-HCZHMGAMSA-N 310.441 3.479 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](Nc3c(N)cccc3F)C[C@@H]21 1894517428 SIMHUUKIKDPPCR-SWHYSGLUSA-N 321.396 3.218 10 10 DGCE Cc1cc(O)c(CNc2ccc(N(C)CCO)cc2)c(Cl)c1 840905527 JHTQNFPMKKMULL-UHFFFAOYSA-N 320.820 3.395 10 10 DGCE CCCN(CCC)c1ccc(CN2CC[C@@H](C(=O)O)C2)cc1 840995481 PMMRSUCWJBGLKQ-MRXNPFEDSA-N 304.434 3.220 10 10 DGCE Cn1cc(-c2c[nH]cc2C(=O)N2CC(C)(C)c3ccccc32)cn1 681736527 BZBKXSRQBNXJJZ-UHFFFAOYSA-N 320.396 3.353 10 10 DGCE CCN(Cc1ccccc1)c1ccc(CNCc2cnn[nH]2)cc1 858198661 PZWSHHHPEWSEJZ-UHFFFAOYSA-N 321.428 3.121 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)/C=C/c1ncccc1C 759096299 TXEGLIDGNUVMPY-MDZDMXLPSA-N 309.413 3.094 10 10 DGCE COc1cncc(CNCc2ccc3c(c2)CCCN3C)c1C 865437128 AQGMVMYGJGDCBZ-UHFFFAOYSA-N 311.429 3.071 10 10 DGCE C[C@H](CCNCc1cc(-c2ccccc2)ccc1O)[S@](C)=O 765287117 SARODSSTLINOAC-PEBXRYMYSA-N 317.454 3.306 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@H](C2CCC2)[C@H]2CCCO2)c1 866491740 XHELUQQRFSUASV-JBBXEZCESA-N 305.418 3.399 10 10 DGCE Cc1cccc(-n2c(C)cc(C(=O)NC(C)(C)[C@H](C)O)c2C)c1 770439331 BTJZBHSLWWOXQM-HNNXBMFYSA-N 314.429 3.292 10 10 DGCE Cc1ccc(C(=O)NC[C@@H](C)c2ccc(F)cc2F)c(O)c1O 780950932 CNHSSTPBAIEPNE-SNVBAGLBSA-N 321.323 3.218 10 10 DGCE Oc1ccc2ccncc2c1CN1CC[C@@H](Cc2ccncc2)C1 782291418 SMIRCUJRFMDFNA-INIZCTEOSA-N 319.408 3.400 10 10 DGCE COc1cc(Br)cc(CN[C@H]2CC[C@@H]2C)c1O 796525190 BRZJMUSOTDHQEM-KWQFWETISA-N 300.196 3.051 10 10 DGCE C[C@H](NCC[C@H](C)[S@@](C)=O)c1cccc(C(F)(F)F)c1O 798181489 KPLBNRJYKBVIFH-SWHJWPDWSA-N 323.380 3.219 10 10 DGCE Oc1cccc(Cl)c1CN1CCO[C@@H](C(F)(F)F)CC1 687288149 QXQVRLZVQALMRJ-GFCCVEGCSA-N 309.715 3.199 10 10 DGCE C[C@H](NC1CC(OCc2ccccc2)C1)c1ccc(O)cc1O 716297943 UPRZMIWUSBPCHY-KTAKPFMOSA-N 313.397 3.496 10 10 DGCE CC1(C)SC[C@@H]1NCc1ccc(Br)cc1O 691485493 AUQXZXLVJRDNBI-NSHDSACASA-N 302.237 3.138 10 10 DGCE CC[C@@]1(Nc2ccc(N)cc2)CCN(C(=O)OC(C)(C)C)C1 1959352042 OEJYLKYQLMOEHF-QGZVFWFLSA-N 305.422 3.470 10 10 DGCE C[C@@H]1C[C@@H]1n1c(C2CCC2)nnc1N(C)Cc1ccccc1O 1304960755 LTQPCQGZACHDLD-DOMZBBRYSA-N 312.417 3.469 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCN(C(C)(C)C)CC2)cc1 1326637464 PIPDJGNFHWMWKQ-SREVYHEPSA-N 301.478 3.182 10 10 DGCE Cc1nnccc1NC(=O)Cc1cc(C)n(-c2ccccc2)c1C 1358232798 VPTGSNYBRSDBRG-UHFFFAOYSA-N 320.396 3.374 10 10 DGCE Cc1ccc(Br)cc1C(=O)N1CC[C@H](N=[N+]=[N-])C1 1912181669 QLPWGJGEFBUUKC-JTQLQIEISA-N 309.167 3.282 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1C[C@H](O)C1(C)C 1448027981 NRELICAQZBMGBS-KGLIPLIRSA-N 318.442 3.045 10 10 DGCE C[C@@H]1CC=CC[C@H]1NC(=O)NCc1c(O)ccc2c1CCCC2 1676728030 KSFFOBIGPNOKOK-CXAGYDPISA-N 314.429 3.425 10 10 DGCE CN[C@H](C)c1ccc2c(c1)CCCN2CCOC(F)(F)F 162245025 SMDVWKUGICLKHZ-LLVKDONJSA-N 302.340 3.256 10 10 DGCE CNCc1ccc(N2CCC(OC)CC2)cc1C(F)(F)F 167355961 VETBRWLMWKVEIG-UHFFFAOYSA-N 302.340 3.040 10 10 DGCE COc1ccc2sc(NC(=O)Cc3ccc(N)cc3)nc2c1 1865956882 LFEHRHPOWDVGDB-UHFFFAOYSA-N 313.382 3.068 10 10 DGCE CC[C@@H]1CCCCN1[C@@H](C(=O)Nc1ccc(N)cc1)C(C)C 251725254 KDLILAFLJFHLON-IAGOWNOFSA-N 303.450 3.496 10 10 DGCE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNCc1ccc(N)cc1 1937860041 QCNYVTDYEJLTDY-CJNGLKHVSA-N 319.449 3.004 10 10 DGCE CC(C)(C)OC(=O)NC[C@H]1CCCCN1CCCCN=[N+]=[N-] 1962302640 BGUWPYOEZPXXIV-CYBMUJFWSA-N 311.430 3.456 10 10 DGCE CN[C@@H](c1ccc(N(C)C)cc1)[C@H](C)N(C)C(=O)OC(C)(C)C 1977946878 YXELMPALCDMDDQ-XJKSGUPXSA-N 321.465 3.269 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2CCN(CCCN=[N+]=[N-])CC[C@H]2C1 1982246970 BKRKTASYOYJYQO-KBPBESRZSA-N 323.441 3.266 10 10 DGCE CN(Cc1cc(Cl)cs1)c1ccc(CO)cc1[N+](=O)[O-] 2150407775 GWPXGRZSQJHETJ-UHFFFAOYSA-N 312.778 3.438 10 10 DGCE C[C@H](Sc1nccs1)C(=O)Nc1ccc(Cl)c(N)c1 40676535 LWQBBGPRZWQPIY-ZETCQYMHSA-N 313.835 3.498 10 10 DGCE CN1C(=O)C(=Cc2ccc(N3CCOCC3)cc2)c2ccccc21 2040447172 PLKTYLQOQKLACO-UHFFFAOYSA-N 320.392 3.040 10 10 DGCE C[C@H]1C[C@H](N(C)c2ccc([C@@H](C)N)c(Br)c2)CO1 401560729 GHQCFCZPQLLPRF-UMNHJUIQSA-N 313.239 3.082 10 10 DGCE C[C@@H]1CCN(c2ccc([C@@H](C)N)cc2Br)CCO1 720431660 LIBWWVGKALRMJA-GHMZBOCLSA-N 313.239 3.084 10 10 DGCE CCCNCc1ccc(N2C[C@H]3C[C@H]3C2)cc1Br 379552820 UGUVBOYNFXBDHU-BETUJISGSA-N 309.251 3.405 10 10 DGCE CCN(C[C@@H](C)OC)c1ccc([C@H](C)N)cc1Br 383234736 RRCGHYVSZYYAAJ-MNOVXSKESA-N 315.255 3.330 10 10 DGCE Oc1ccc(Br)cc1CNC[C@@H]1C[C@H]1C(F)(F)F 922732893 WNBDPYKQQXJIQN-OIBJUYFYSA-N 324.140 3.443 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@@H](F)C[C@@H](F)C2)cc1Br 2062396698 OKGRDGKZACNXRC-BBBLOLIVSA-N 319.193 3.355 10 10 DGCE Nc1ccc(CCOc2ncc(F)cc2Br)cc1 2068329393 PLUJXXILGFREJZ-UHFFFAOYSA-N 311.154 3.187 10 10 DGCE CSc1ncc(CN[C@H]2CN(C)C3(CCCCC3)C2)s1 2284704309 UORDHKNMHDAKMR-GFCCVEGCSA-N 311.520 3.362 10 10 DGCE CCSC1=NSC2=NC(=O)C(=Cc3ccccc3)C(=N)N12 2297333704 FGSCSROLYISYMJ-UHFFFAOYSA-N 316.411 3.016 10 10 DGCE COC(=O)Cc1nc2ccc(C)cn2c1N=Nc1ccccc1O 2320769526 XOLPYGLMSUKEDP-UHFFFAOYSA-N 324.340 3.479 10 10 DGCE CC[C@@H](C)N1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S 2323675987 GKGMIVJKSGAXFK-SECBINFHSA-N 321.423 3.415 10 10 DGCE COCCN(CCOC)N=Nc1ccccc1C(F)(F)F 2330210351 RTCNIRRLWBSZSC-UHFFFAOYSA-N 305.300 3.299 10 10 DGCE CCc1nc(CC)n(Cc2ccc(C)c(Br)c2O)n1 2352947890 WDUZRLOTEGJJBJ-UHFFFAOYSA-N 324.222 3.228 10 10 DGCE CC(C)(C)OC(=O)Nc1cnc(Cl)c([C@H](CO)N=[N+]=[N-])c1 1951458530 JQGPEVVMECBKOC-VIFPVBQESA-N 313.745 3.426 10 10 DGCE CCOCCN(CC)c1ccc([C@H](C)N)cc1Br 104186851 PNXHJACCOZWYLB-NSHDSACASA-N 315.255 3.332 10 10 DGCE Cc1cc(C(=O)Nc2ccccc2N)c(C)n1-c1ccccn1 119307994 VRSFCVJJEQMGRY-UHFFFAOYSA-N 306.369 3.324 10 10 DGCE Cc1ccc(N2CCC(N[C@H](C)c3ccccc3O)CC2)nc1 183528540 VOBKKRCEOYLQKN-OAHLLOKOSA-N 311.429 3.415 10 10 DGCE CN(C)c1ccc(CN2CCC(CN3CCCC3)CC2)cc1F 134205019 YCAXQLINEBGDKQ-UHFFFAOYSA-N 319.468 3.200 10 10 DGCE OC[C@@H]1CN(Cc2cccc(Cl)c2O)C[C@H]1c1ccsc1 190294558 LLFHLDBIECSINX-KBPBESRZSA-N 323.845 3.315 10 10 DGCE CCN(CC(C)(C)O)C(=O)c1cc(C)n(-c2ccccc2)c1C 81972620 CKXLFRCNOSTMOA-UHFFFAOYSA-N 314.429 3.327 10 10 DGCE CCOc1ccc(O)c(CN2CCO[C@H](c3ccsc3)C2)c1 93768584 HBYNRJUVRIAOOK-KRWDZBQOSA-N 319.426 3.426 10 10 DGCE C[C@@H](N)c1ccc(N(C)CCCOCc2ccccc2)cc1O 384067297 JDPSHYPWLIPNBC-OAHLLOKOSA-N 314.429 3.455 10 10 DGCE Oc1c(F)cc(Cl)cc1CNc1ccc2c(c1)OCCNC2 530183063 KOJSWKBLHBDAAY-UHFFFAOYSA-N 322.767 3.279 10 10 DGCE C[C@@H]1CC[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)C1 360680487 LJYQTKMLVFLCFC-GZLOKEMUSA-N 301.386 3.150 10 10 DGCE CC[C@@H](NCc1ccc(N(CC)CC)cc1)[C@@H](O)C(F)F 294961103 DYLMEEILYPNTQL-HUUCEWRRSA-N 300.393 3.027 10 10 DGCE COCCn1c(C)c(C)c2cc(C(=O)N3C[C@@H](C)[C@H]3C)ccc21 293990465 HPDMCMHZHDCINS-TZMCWYRMSA-N 314.429 3.385 10 10 DGCE C[C@H](N[C@H]1CCNC[C@H]1C)c1cccc(C(F)(F)F)c1O 817969928 IIMHSOVRTIMHRF-NRUUGDAUSA-N 302.340 3.060 10 10 DGCE Cc1cc(Cl)cc(CNc2ccc(COCCO)cc2)c1O 822520836 PYRWDZQFXXLSGN-UHFFFAOYSA-N 321.804 3.475 10 10 DGCE C[C@@H](N[C@@H](CCN(C)C)c1cccnc1)c1ccc(F)cc1O 903380776 PHVRYSKDKFLXLE-DYVFJYSZSA-N 317.408 3.270 10 10 DGCE O=C(CC[C@@H]1CCc2ccccc21)NCc1ccc(O)c(O)c1 901131358 JELJHYAWZOJKAD-HNNXBMFYSA-N 311.381 3.224 10 10 DGCE CC1(C)Nc2ccccc2[C@H]1NCc1cc2c(cc1O)OCO2 903948826 VRRSHTVFXUSKAZ-QGZVFWFLSA-N 312.369 3.156 10 10 DGCE Cc1ccccc1[C@H](O)CNC/C=C\c1ccc(N(C)C)cc1 835038474 ATZGVWGCRGRSCS-LQOHYYORSA-N 310.441 3.397 10 10 DGCE Cc1cccc(C[C@@H](CO)NC/C=C\c2ccc(N(C)C)cc2)c1 835049380 DIZPTYWAVZOOHS-VORVDVFJSA-N 324.468 3.267 10 10 DGCE COc1cc(O)c(CN2CCC[C@H]3C[C@H]2C3(C)C)cc1OC 844746870 UNQLDDRZPQMIDR-GUYCJALGSA-N 305.418 3.420 10 10 DGCE Cc1cc(O)c(CN(CCO)Cc2ccc(C)o2)c(Cl)c1 840940884 JCWHUFDLPYZZNS-UHFFFAOYSA-N 309.793 3.250 10 10 DGCE COCc1ccnc(N[C@H](C)c2cc([N+](=O)[O-])ccc2O)c1 846213874 VVXHCIWJDWINFM-SNVBAGLBSA-N 303.318 3.015 10 10 DGCE O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@@]3(C2)CC3(F)F)c1O 846115834 BWRXTZJUCWTAQN-LBPRGKRZSA-N 318.707 3.185 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)NC[C@@]1(C)CCCCO1 927195032 QYBRTJLHXMFEST-GOSISDBHSA-N 320.433 3.273 10 10 DGCE C[C@@H]1CC2(CO1)CC(NCc1ccc(N3CCCC3)cc1)C2 924647398 GDQOSDHBLZXXJD-LSJNQWAISA-N 300.446 3.334 10 10 DGCE O=C(NCc1ccc(N2CC=CC2)cc1)N1C[C@H]2CC[C@@H](C2)C1 852138034 DXGQCAPGNZJIMX-IRXDYDNUSA-N 311.429 3.004 10 10 DGCE CCCN(CCC)c1ccc(CN(C)CC(=O)NC(C)C)cc1 768204452 ZOSABZLXAHBYDL-UHFFFAOYSA-N 319.493 3.269 10 10 DGCE Cc1cc(Cl)cc([C@H](C)N[C@@H]2[C@H]3C[C@@H]4CO[C@@H]2[C@H]4C3)c1O 866446046 OEFISODGUZYHMV-GRPBGDFSSA-N 307.821 3.428 10 10 DGCE COc1cc(C)c(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1C 769697755 UWFACPYQNOASKQ-ALCCZGGFSA-N 313.353 3.375 10 10 DGCE CSc1cc(NC(=O)NCc2ccc(N(C)C)cc2)ccn1 767954954 SEPIILYOCFVUIO-UHFFFAOYSA-N 316.430 3.191 10 10 DGCE Cc1cc(CC(=O)N(C)c2ncccn2)c(C)n1-c1ccccc1 1128478979 CMYIAOZPVIAMGE-UHFFFAOYSA-N 320.396 3.090 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N2CCOCC3(CC3)C2)cc1 782541675 CDEMXJJWWNDLFZ-UHFFFAOYSA-N 324.424 3.347 10 10 DGCE Cc1nc(F)ccc1CN(C)c1ccc(OCCN(C)C)cc1 787272267 PDKACQVQQPMNJS-UHFFFAOYSA-N 317.408 3.106 10 10 DGCE Cc1cc(Br)c(O)c(CN[C@]2(C)CCO[C@H]2C)c1 784640121 LKCZJGMDCLCPGF-IINYFYTJSA-N 314.223 3.120 10 10 DGCE CC(C)(COCc1ccccc1)NCc1ccc(O)c(O)c1 390008454 FCIPKJZMXQZJHE-UHFFFAOYSA-N 301.386 3.183 10 10 DGCE Cc1cc(C(=O)NCc2ccc3c(c2)CCCN3C)cs1 795833053 MXKDHYYUXHZIGS-UHFFFAOYSA-N 300.427 3.369 10 10 DGCE C[C@@H](NC(=O)C[C@H](O)c1ccc(Cl)cc1)c1ccccc1O 1302530350 MGTAEOHEAAUMPS-BZNIZROVSA-N 319.788 3.347 10 10 DGCE COc1ccc(N(C)CCN(C)C[C@@H]2CC[C@@H](C3CC3)O2)cc1 1171730490 WLLMJECRCRMTEC-OALUTQOASA-N 318.461 3.021 10 10 DGCE Oc1cccc(Br)c1CN[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]12 1663121643 BWJHHUAOTGDHOF-ADADXYTCSA-N 308.219 3.289 10 10 DGCE CCCCC(=O)N1C[C@@H](NCc2ccc(OC)c(C)c2)C[C@@H]1C 1283946800 PYNYYPWINAXVAZ-RDJZCZTQSA-N 318.461 3.273 10 10 DGCE C[C@H](NC(=O)CCOc1ccccc1F)c1ccccc1O 1471194212 FXQQZGPQWIDYKJ-LBPRGKRZSA-N 303.333 3.178 10 10 DGCE CCC[C@@H](OCC)C(=O)NCc1c(O)ccc2ccccc12 1472085484 UILRIUUCVPNPJO-QGZVFWFLSA-N 301.386 3.367 10 10 DGCE COc1cc(Cl)c(NC(=O)Cc2ccc(O)c(O)c2)cc1C 1629248707 BYQMRWPPPKVXOS-UHFFFAOYSA-N 321.760 3.249 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc(OC)c1C 1627028333 FKOVKXVVPXKORG-UHFFFAOYSA-N 320.385 3.125 10 10 DGCE CCO[C@@H]1C[C@H](NC(=O)c2ccc(C)c(O)c2O)C1(CC)CC 1566143196 OWFJDDFCKKUODT-UONOGXRCSA-N 321.417 3.120 10 10 DGCE O=C(NCc1cccc2ccccc12)c1c(F)ccc(O)c1O 1650789303 SLRBVIMGIHRTMS-UHFFFAOYSA-N 311.312 3.320 10 10 DGCE COc1cc(CN2CCC(C3CCOCC3)CC2)c(O)cc1C 160478791 XXAGQMQEDLPFJB-UHFFFAOYSA-N 319.445 3.348 10 10 DGCE Nc1ccc(CC(=O)N2CCCC[C@H]2c2nccs2)cc1 167097608 MQVXHFGNXHAHDL-AWEZNQCLSA-N 301.415 3.022 10 10 DGCE O=C1N=C(NC2CCCC2)S/C1=C/c1cccc([N+](=O)[O-])c1 208250648 XGIJKIYUNNAIFT-UKTHLTGXSA-N 317.370 3.097 10 10 DGCE CC(C)(C)OC(=O)N[C@]12CC[C@H]1CN(CCCCN=[N+]=[N-])C2 1962288009 POLAARWIWIBEOH-WFASDCNBSA-N 309.414 3.066 10 10 DGCE C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1Cc1ccc(N)cc1 1977925382 HGRAEYXSKKNMNI-ZFWWWQNUSA-N 319.449 3.004 10 10 DGCE CN(C[C@H]1CCCN1Cc1ccc(N)cc1)C(=O)OC(C)(C)C 1977925574 IDNKVKOLLDVIMW-MRXNPFEDSA-N 319.449 3.100 10 10 DGCE CN(C)c1ccc([C@@H](N)CN(C(=O)OC(C)(C)C)C2CC2)cc1 1977945877 QULSTJKTIORZIK-INIZCTEOSA-N 319.449 3.152 10 10 DGCE Cc1ccc(O)c(CN[C@@H]2CC[C@H]2CNC(=O)OC(C)(C)C)c1 1986708267 AYHVIFRLBKRMAK-DZGCQCFKSA-N 320.433 3.094 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](Oc2ccc(N)cc2)[C@H]1C1CC1 1992515485 RLTWRTJNQMEXNP-JKSUJKDBSA-N 318.417 3.436 10 10 DGCE CC[C@@H](CNCc1cccc(C)c1O)CNC(=O)OC(C)(C)C 1994450019 NMYZSXNVZCKLMB-AWEZNQCLSA-N 322.449 3.341 10 10 DGCE CC[C@@](C)(COC)NCc1c(O)cccc1Br 2014276209 WRDZVBXFXITUFI-ZDUSSCGKSA-N 302.212 3.059 10 10 DGCE CCNCc1ccc(N2CC[C@](C)(F)C2)cc1Br 2034889620 YMIIMSKXJRGKMA-AWEZNQCLSA-N 315.230 3.497 10 10 DGCE CN(C[C@@H]1CC[C@@H]2C[C@@H]21)c1ccc(CN)cc1Br 2040241982 WIYQRMXEBAETES-AGIUHOORSA-N 309.251 3.390 10 10 DGCE C[C@@H]([C@H]1CCCOC1)N(C)c1cc(Cl)c(CN)cc1F 2177391146 ZIIXVRZJISFEIB-QWRGUYRKSA-N 300.805 3.189 10 10 DGCE Cc1cc(C(=O)OC(C)(C)C)n(Cc2c(O)cccc2F)n1 2069987074 DDMHUZMOEFXQDJ-UHFFFAOYSA-N 306.337 3.040 10 10 DGCE COc1ccc([C@H](C)n2nc(-c3ccccc3)cc2CO)c(O)c1 2070172036 NUTZKSPIDLFARO-ZDUSSCGKSA-N 324.380 3.366 10 10 DGCE COCCN(c1ccc([C@H](C)O)cc1Cl)[C@H]1CCSC1 2170157688 TVTFRPOVNIBVIS-AAEUAGOBSA-N 315.866 3.352 10 10 DGCE CCc1nn(Cc2c(C)cccc2O)c(C(F)(F)F)c1C=O 2078888653 DTIOYPXYAWMZQI-UHFFFAOYSA-N 312.291 3.339 10 10 DGCE Cc1ccc([C@H](C2CC2)n2nc(C(C)C)c(C=O)c2N)c(O)c1 2078983194 FJOXGHGLCWBXJT-KRWDZBQOSA-N 313.401 3.415 10 10 DGCE O=C(NCc1cc(Cl)cc(Cl)c1)c1cccc(O)c1O 1166479305 ZNVYELBYTYWWAI-UHFFFAOYSA-N 312.152 3.335 10 10 DGCE CN[C@H](C)c1ccc(N(C)[C@H]2COCC2(F)F)cc1Cl 2197010939 HBWJGWPKBXQSEJ-RNCFNFMXSA-N 304.768 3.091 10 10 DGCE Oc1c(F)cc(F)cc1CN[C@@H]1CS[C@@H](C(F)(F)F)C1 2189247233 XKMZQUIMXNFMEY-WCBMZHEXSA-N 313.291 3.196 10 10 DGCE OCc1ccc(N2[C@H]3CC[C@H]2CC(F)C3)c(Br)c1 2072027214 HPVQTIWHCZOUEM-RYUDHWBXSA-N 314.198 3.411 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN(Cc2cccnc2Br)C1 2085937985 DUHJDMDMZJBNPR-JTQLQIEISA-N 310.199 3.366 10 10 DGCE CCCN[C@H](CSc1nccs1)c1cc(OC)ns1 2089281790 WDSLILWAQGPTKD-SECBINFHSA-N 315.489 3.441 10 10 DGCE CCSCC[C@@H](C)N(C)C(=O)C=Cc1ccc(O)c(O)c1 2307987929 UXCVMRNBWXAHNZ-GFCCVEGCSA-N 309.431 3.101 10 10 DGCE CN(CCCc1ccccc1)C(=O)C=Cc1ccc(O)c(O)c1 2307990259 DEMZUVPZDYKOHV-UHFFFAOYSA-N 311.381 3.202 10 10 DGCE Cc1ccc(CN(C)CCOC(F)F)c(O)c1Br 2327576899 GUJVROAWFFPLRO-UHFFFAOYSA-N 324.165 3.134 10 10 DGCE CC[C@@H]1C[C@@H](NCc2ccc(C)c(Br)c2O)CO1 2327793366 UQFZNQCABPJTPC-VXGBXAGGSA-N 314.223 3.120 10 10 DGCE Cc1ccnc(CN(C)c2ccc(CN)cc2Br)c1 2343514931 BFLKRVICENIMGH-UHFFFAOYSA-N 320.234 3.248 10 10 DGCE CN(C)c1ccc(CNC(=O)c2cccc3ncccc23)cc1 14310850 DMUUJZPAHQDOEB-UHFFFAOYSA-N 305.381 3.231 10 10 DGCE CC(C)CC1=NN2C(=N)/C(=C\c3ccccc3)C(=O)N=C2S1 33719449 YPMYJWIMMZZQCF-ZOXWBLRNSA-N 312.398 3.352 10 10 DGCE Cc1cc(CN(C)Cc2ccc(N3CCCC3)c(F)c2)n[nH]1 36752886 NUJHUCAFKFVLFM-UHFFFAOYSA-N 302.397 3.089 10 10 DGCE Oc1ccc(Cl)cc1CNc1cccnc1-n1cccn1 37122106 LWGWSZCKPAJSHR-UHFFFAOYSA-N 300.749 3.238 10 10 DGCE COC(=O)[C@](C)(CCCCSc1nccs1)NC1CC1 45596044 NWYGXEUQHKDFKB-AWEZNQCLSA-N 314.476 3.089 10 10 DGCE CC[C@@H](NC(=O)CCOc1ccc(N)cc1)c1cccs1 49528212 DRLMZMVUZDHYJW-CQSZACIVSA-N 304.415 3.367 10 10 DGCE Oc1cccc([C@@H]2CN(Cc3cc(Cl)ccc3O)CCO2)c1 93457765 YJIXIPNNHBXENB-KRWDZBQOSA-N 319.788 3.325 10 10 DGCE CCCNCc1ccc(N(C)[C@@H](C)CO)c(C(F)(F)F)c1 122663444 RTLKCVIKSDVDFZ-NSHDSACASA-N 304.356 3.022 10 10 DGCE CCCc1cc(=O)nc(SCCCc2ccc(N)cc2)[nH]1 122877387 DXEIWEXURFZZNI-UHFFFAOYSA-N 303.431 3.030 10 10 DGCE CCCNc1nc(OC(C)C)nc(Sc2nccs2)n1 150290125 CRNQGWJQQHCKEA-UHFFFAOYSA-N 311.436 3.088 10 10 DGCE Cn1c(C(=O)NCCc2ccc(N)cc2)ccc1-c1ccccc1 152561738 AVCSEFMEKQBCDZ-UHFFFAOYSA-N 319.408 3.247 10 10 DGCE CCN[C@@H]1C(=O)Nc2cc(N3CC[C@@H](CC)C3)c(Cl)cc21 160379202 WNGZKENLXFSVNR-BMIGLBTASA-N 307.825 3.179 10 10 DGCE C[C@@H](NCCCC(=O)NC1CC1)c1ccc2ccccc2c1O 173239938 CCEJKLPZSYPKPS-CYBMUJFWSA-N 312.413 3.255 10 10 DGCE C[C@H]1CN(Cc2cc(F)ccc2O)C[C@H](c2ccccc2)O1 179986925 RMIBXGCLUNAYML-SCLBCKFNSA-N 301.361 3.493 10 10 DGCE CCCOc1ccc(CNc2cccnc2-n2cccn2)c(O)c1 185880921 ASCJGKPCYXCZCP-UHFFFAOYSA-N 324.384 3.374 10 10 DGCE Cc1ccc(O)c([C@@H](C)NCC2CCC3(CC2)OCCO3)c1 193380978 DFTCIETUWSKGOR-CQSZACIVSA-N 305.418 3.285 10 10 DGCE O=C1N=C(Nc2ccc(C(=O)O)cc2)S/C1=C/c1ccccc1 225699257 GDNLKAHLBOMORU-GXDHUFHOSA-N 324.361 3.467 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@H]2[C@H](CO)C3)cc1 291860304 FHIGDEAVWFFOHQ-WDSOQIARSA-N 324.424 3.080 10 10 DGCE Cc1cccc(CNCc2ccn(Cc3ccccc3)n2)c1O 389908781 CVSUPHNDJRVXHN-UHFFFAOYSA-N 307.397 3.235 10 10 DGCE O=C(/C=C/c1cnccn1)N(CC1CCCCC1)c1ccccn1 492239522 OHEIYABZBNCTAI-MDZDMXLPSA-N 322.412 3.498 10 10 DGCE C[C@@H](NCC(C)(C)C(=O)N1CCCC1)c1ccc(Cl)cc1O 528015579 KUKCPINWCZCFNO-GFCCVEGCSA-N 324.852 3.345 10 10 DGCE CCc1cccc(CNC2(C)CN(C(=O)OC(C)(C)C)C2)c1O 691472988 FSKTYANJDWGHCB-UHFFFAOYSA-N 320.433 3.054 10 10 DGCE Cn1ncc(NCc2cccc(Br)c2O)c1Cl 694116347 MRLHUSSNOFKPJM-UHFFFAOYSA-N 316.586 3.154 10 10 DGCE CO[C@H]1CC[C@@H]1N(C)c1ccc([C@@H](C)N)c(Br)c1 724225522 XJQMFHPBDKPRKK-IIMNLJJBSA-N 313.239 3.082 10 10 DGCE C[C@@H](NCc1nc(-c2ccccc2)n[nH]1)c1cc(F)ccc1O 756868954 ZFSAKAUUJQJXDB-LLVKDONJSA-N 312.348 3.167 10 10 DGCE CCN(C(=O)c1ccc(-n2c(C)ccc2C)cc1)[C@H]1CCOC1 812725503 BVYVCXPVTVFJJH-SFHVURJKSA-N 312.413 3.345 10 10 DGCE Oc1cc(F)c(Cl)cc1CN1CCC[C@H]([C@H]2CCOC2)C1 816521120 HQRBEIMHAWYDPV-RYUDHWBXSA-N 313.800 3.433 10 10 DGCE Cc1cc(N(C)C)ccc1CN1CC(=O)Nc2ccccc2C1 848926433 XKTSIUZKFLTTLA-UHFFFAOYSA-N 309.413 3.015 10 10 DGCE CO[C@@H]1CCC[C@H]([C@H](CO)N[C@H](C)c2ccc(C)c(C)c2O)C1 850502881 SMHMVDLRERVXST-HPFXQQBRSA-N 321.461 3.226 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)CC(C)C)C2)cc1 855228316 ZMWYXONZXRFUHG-LSDHHAIUSA-N 304.434 3.072 10 10 DGCE COCC1(C(=O)N(C)Cc2ccc(N(C)C)cc2)CCCCC1 856739590 WWLRFSNYLBCFNL-UHFFFAOYSA-N 318.461 3.308 10 10 DGCE CN(C)c1cc(F)c(CNC[C@@H]2C(C)(C)C2(F)F)cc1F 858191955 CQWRQIBEBOOHLV-CYBMUJFWSA-N 304.331 3.412 10 10 DGCE C[C@@H](NC1([C@H]2CCCCO2)CCC1)c1cc([N+](=O)[O-])ccc1O 866622592 HKNAVWNSQNHZHL-MLGOLLRUSA-N 320.389 3.443 10 10 DGCE CCOCc1cc(CN[C@H]2CCNCC(C)(C)C2)ccc1OC 872251471 JKEYNDCUBUCJMA-KRWDZBQOSA-N 320.477 3.100 10 10 DGCE O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(O)c(F)c1F 887277070 KIBDTYNFQSSFRB-FLIBITNWSA-N 324.352 3.127 10 10 DGCE O=C(NCc1c(O)cccc1O)[C@H]1CCC[C@H]1c1ccccc1 1178912697 WTAMIMCAJRDGRO-GJZGRUSLSA-N 311.381 3.298 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@]12CCCC[C@H]1C2 1255449663 ULETZTMUQGAQRU-LPHOPBHVSA-N 315.461 3.474 10 10 DGCE Cc1ncsc1/C=C\C(=O)N1CCOc2c1ccc(F)c2F 1436824863 OFNXHICPMJHIAK-PLNGDYQASA-N 322.336 3.169 10 10 DGCE Cc1ccc(O)c(CNC(=O)NCc2cscc2Cl)c1 1471357636 FUEFXJCKHHZGAR-UHFFFAOYSA-N 310.806 3.415 10 10 DGCE Cc1cc(CNC(=O)[C@]2(C)CCCO2)c(C)n1-c1ccccc1 1587886151 ITSZEZYPOMTUOE-IBGZPJMESA-N 312.413 3.279 10 10 DGCE C[C@@H](NC(=O)c1cc(F)cc(F)c1N)c1ccc(N(C)C)cc1 1625544178 QSTIXDKQAXLXOM-SNVBAGLBSA-N 319.355 3.104 10 10 DGCE C[C@@H](NC(=O)[C@@H](O)c1ccc(Cl)cc1F)c1ccccc1O 1635798857 FKSIJACMCPCPRU-PSLIRLAXSA-N 323.751 3.096 10 10 DGCE Cc1ccc(C(C)(C)CNC(=O)c2c(F)ccc(O)c2O)cc1 1638303951 HRQNZJLZVVNDIT-UHFFFAOYSA-N 317.360 3.253 10 10 DGCE COC(=O)c1cnc(Sc2ccc([N+](=O)[O-])c(C)c2)s1 1639960138 OBLUWWQPWNCVDJ-UHFFFAOYSA-N 310.356 3.298 10 10 DGCE Cc1cccc([C@H](NC(=O)Cc2ccc(O)c(O)c2)C(C)C)c1 1648514042 JBZIBNRSDHQONI-LJQANCHMSA-N 313.397 3.462 10 10 DGCE CN(C)c1ccc(CNc2ncnc(-c3ccccc3)n2)cc1F 1650696193 TYSYXLLUKUMEQJ-UHFFFAOYSA-N 323.375 3.356 10 10 DGCE C[C@H](NCC(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1O 1655349289 GHWJGQBQWSVYSQ-JTQLQIEISA-N 322.767 3.474 10 10 DGCE O=C(O)C=Cc1ccc(N2C[C@H]3C[C@H]3C2)cc1Br 1911917430 ICUQBVRPJOVAEJ-PHIMTYICSA-N 308.175 3.003 10 10 DGCE [N-]=[N+]=NC[C@H]1CCN(C(=O)c2cc(Cl)cc(F)c2F)C1 1912198155 CWLLPRAOWSYOID-SSDOTTSWSA-N 300.696 3.391 10 10 DGCE Cc1cccc(CNCc2nccc(C)c2Br)c1O 1927116553 GCTPUJUYEUQTCT-UHFFFAOYSA-N 321.218 3.456 10 10 DGCE C[C@H](N[C@@H]1CCCC2(CC1)OCCO2)c1cc(F)ccc1O 1967526354 WYRBRTHVLWDHNR-GXTWGEPZSA-N 309.381 3.258 10 10 DGCE Cc1cccc(CNCC2(C)CN(C(=O)OC(C)(C)C)C2)c1O 1970950504 SKNSXKYZKCVRFN-UHFFFAOYSA-N 320.433 3.047 10 10 DGCE CN(C)c1ccc([C@@]2(O)CCCN(Cc3ccccc3)C2)cc1 1977940041 UOCGFABORALIQY-HXUWFJFHSA-N 310.441 3.236 10 10 DGCE C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)[C@H](N)c1ccc(N(C)C)cc1 1977946665 WWYQJCYFFKNZIK-WWGRRREGSA-N 321.465 3.302 10 10 DGCE CC(C)(C)OC(=O)N1C[C@]2(C)CN(CCCN=[N+]=[N-])C[C@@]2(C)C1 1982241585 IJZMAWOHOQWPEN-HOTGVXAUSA-N 323.441 3.266 10 10 DGCE N[C@H](c1ccccc1O)c1ncc(Br)cc1Cl 2007995241 YRQXFJOWOLECJF-LLVKDONJSA-N 313.582 3.251 10 10 DGCE C[C@H](N)c1ccc(N(C)CP(C)(C)=O)c(Br)c1 2021446751 GAQQDMLYEAUWJC-VIFPVBQESA-N 319.183 3.485 10 10 DGCE C[C@H]1C[C@H](CN(C)Cc2c(O)cccc2Br)CO1 2040277164 XETQTBICVIJAJW-WDEREUQCSA-N 314.223 3.012 10 10 DGCE CN(Cc1cc(Br)co1)c1ccc(CO)cc1F 2050634474 JYLWKMZUUWXPHN-UHFFFAOYSA-N 314.154 3.310 10 10 DGCE C[C@H](F)[C@H]1CCCN1c1cc(Br)c(CN)cc1F 2060888139 MCQUOLYNUPQPKK-QPUJVOFHSA-N 319.193 3.374 10 10 DGCE CN(c1ccc(CO)cc1Br)[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2 2070848167 JNCWCQKWPOMOSL-VHKOSHJNSA-N 308.219 3.032 10 10 DGCE C[C@@H](O)c1cc(F)c(N(C)CC2(Br)CC2)c(F)c1 2076270116 SZEKFCRRWFOEHZ-MRVPVSSYSA-N 320.177 3.382 10 10 DGCE Cc1cc(N(C)C[C@]2(Br)CC2(F)F)ccc1CN 2082511376 QYPCVELTLUYVTQ-GFCCVEGCSA-N 319.193 3.063 10 10 DGCE COc1cc(Cl)cc(CNC[C@@H]2CC[C@H](C)S2)c1O 2095313786 BORQLQXHWICITK-CABZTGNLSA-N 301.839 3.428 10 10 DGCE Cc1cc(NS(=O)(=O)c2ccc(Cl)o2)c(C)cc1O 2096470285 POXGYVUPCRDSQJ-UHFFFAOYSA-N 301.751 3.056 10 10 DGCE CCNCc1ccc(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@@H]32)c(Br)c1 2117424725 QFOFFWNGWUMKKF-QCQGSNGOSA-N 321.262 3.403 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CCC(F)(F)[C@H]2C)c1O 2172079939 MISDHJUGFLMTMM-SECBINFHSA-N 303.736 3.478 10 10 DGCE C[C@H](N)c1ccc2c(c1)CCCN2C[C@]1(Cl)CC1(F)F 2205572024 WXSAKTZAEWDVJM-IINYFYTJSA-N 300.780 3.476 10 10 DGCE OC[C@@H](C1CC1)N(Cc1ccccc1)c1ccc2c(c1)CCO2 2210873376 JOXWAZHKPFTVKJ-IBGZPJMESA-N 309.409 3.399 10 10 DGCE Cc1ccc(C=C2SC(=S)N(CN3CCCC3)C2=O)cc1 2296665697 NGJMSJWTHLBAHC-UHFFFAOYSA-N 318.467 3.250 10 10 DGCE C[C@@H](N)c1ccc(N(CCF)CCF)cc1Br 2301643923 MEPUULOWWNZRCE-SECBINFHSA-N 307.182 3.214 10 10 DGCE CN(Cc1cc(Cl)cc(Br)c1O)C[C@H]1CCO1 2302379759 DZLXSJMEANFDFS-SNVBAGLBSA-N 320.614 3.029 10 10 DGCE Cc1cncc(C=CC(=O)N2CCCN(C)c3ccccc32)c1 2302386805 NAAHTTBYRIBSAU-UHFFFAOYSA-N 307.397 3.276 10 10 DGCE CN[C@H](C)c1ccc(N(CCF)CCF)c(Br)c1 2317587795 AVLCARTXPONICL-SNVBAGLBSA-N 321.209 3.475 10 10 DGCE Cc1cccc(C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)c1 2323744416 AZZPCNGZNVFWCM-ZDUSSCGKSA-N 319.451 3.375 10 10 DGCE CC1=NN(c2ccccc2)C(=O)C1=Cc1ccc2c(c1)OCCO2 2332127378 RGMOBPUAGKWOIT-UHFFFAOYSA-N 320.348 3.264 10 10 DGCE COc1ccc(O)c([C@H]2Nc3ccccc3C(=O)N2C2CC2)c1 69055659 PEMGZIQUWCBADY-KRWDZBQOSA-N 310.353 3.130 10 10 DGCE COc1cc([C@H](N)c2ccc3c(c2)CCN3C)sc1Cl 2365807221 GLLOPQGACNYDDP-CQSZACIVSA-N 308.834 3.451 10 10 DGCE CC[C@@H](NC[C@@H](O)c1ccccc1OC)c1ccccc1O 186122908 UCRLXNSAVQWMSJ-NVXWUHKLSA-N 301.386 3.175 10 10 DGCE COc1ccc(N2CCN(C(=O)C[C@H](C)C(C)C)CC2)cc1F 84815626 CEXXITYZAILAPR-AWEZNQCLSA-N 322.424 3.165 10 10 DGCE CCOC[C@@H](C)OC(=O)c1cc(C)n(-c2ccccn2)c1C 190722804 XKIRGFXSVKGAEJ-CYBMUJFWSA-N 302.374 3.071 10 10 DGCE CN(C)c1ccc(CNC(=O)c2cc3sccc3[nH]2)cc1F 191995745 ODZBUWATNMYLRD-UHFFFAOYSA-N 317.389 3.365 10 10 DGCE CCOCCN(C)c1ccc([C@H](C)NC)c(Br)c1 233718145 FJXOUQHSNPSCBY-NSHDSACASA-N 315.255 3.202 10 10 DGCE Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@H]2O3)c(C)n1-c1ccccc1 247700810 UPPJXDPWSOVNTE-KBAYOESNSA-N 310.397 3.144 10 10 DGCE C[C@@H](NCCc1cn[nH]c1)c1ccc(Cl)c(Cl)c1O 289787326 NAQIWOKYJDAOEC-MRVPVSSYSA-N 300.189 3.315 10 10 DGCE COc1cccc(O)c1CN1CC[C@@](F)(c2ccccc2)C1 802656656 NPYBILXQZVGYPS-SFHVURJKSA-N 301.361 3.472 10 10 DGCE C[C@@H](NC1COCCOC1)c1ccc(N2CCCCCC2)cc1 813878712 FPJIIGZPBNYKKI-MRXNPFEDSA-N 318.461 3.133 10 10 DGCE CN(C)c1ccc(CN=c2c([N+](=O)[O-])c[nH]c3ccccc23)cc1 813585232 GCLWLLDUQBTDTE-UHFFFAOYSA-N 322.368 3.243 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)/C=C/[C@H]2CCCO2)cc1 819040304 ZJCWDOOCYJIUEI-QFQMRYFISA-N 316.445 3.226 10 10 DGCE COc1cccc(CNC(=O)NC[C@H](C)C2CCCCC2)c1O 823657150 AQYWYLLKVKRMNV-ZDUSSCGKSA-N 320.433 3.416 10 10 DGCE Cc1cnccc1/C=C/C(=O)N(C)Cc1ccc(N(C)C)cc1 822265058 HYRIARJIVUTBSE-JXMROGBWSA-N 309.413 3.128 10 10 DGCE CC(C)[C@@H]1C[C@H](CNCc2ccc(N(C)C)c(F)c2)CCO1 824798613 GFJDILMKUXHDMC-QAPCUYQASA-N 308.441 3.433 10 10 DGCE CCN1CC[C@H](N(C)C/C=C/c2ccc(N(C)C)cc2)[C@H](C)C1 835026115 QMDXNSFXYFLSPS-TVYZCSMLSA-N 315.505 3.428 10 10 DGCE CSc1cccnc1C(=O)NCc1ccc(N(C)C)cc1C 844396825 SUVIUAMZHWOFAG-UHFFFAOYSA-N 315.442 3.108 10 10 DGCE CC[C@@H](N[C@H]1CCCc2c1ccc(=O)n2C)c1ccccc1O 846123673 UDCFAJPLLQQNJE-CVEARBPZSA-N 312.413 3.209 10 10 DGCE Oc1cccc(Cl)c1CNC[C@@H]1Cc2ccccc2CO1 858212016 OEMYZPJYMKSKGI-AWEZNQCLSA-N 303.789 3.277 10 10 DGCE CN(C)c1ccc(CNC[C@H]2CCN2C2CCCCC2)cc1 858221333 GHDZAPBYEPRBKV-LJQANCHMSA-N 301.478 3.249 10 10 DGCE COCC[C@@H]1CCC[C@H]1N[C@H]1CCN(c2ccc(OC)cc2)C1 850487907 JZUGMPUTZZSALQ-TXPKVOOTSA-N 318.461 3.069 10 10 DGCE COc1nc(C)cc(C)c1CN(C)Cc1cccc(C)c1O 857068624 CCBIBQJVOARKCH-UHFFFAOYSA-N 300.402 3.353 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)CC3=CCCCC3)C2)cc1 855229645 BNGRJMFEWHWZTL-MRXNPFEDSA-N 314.429 3.281 10 10 DGCE C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C1CCC(F)CC1 856080569 LBJSCIAIDSSKCH-PMJSSZOJSA-N 307.365 3.144 10 10 DGCE CC(C)c1cnc(NC(=O)NCc2c(O)cccc2F)s1 931082720 AZEITRAFRUABRF-UHFFFAOYSA-N 309.366 3.433 10 10 DGCE CC[C@H](C[C@@H](C)O)N[C@@H](C)c1ccc(Br)cc1O 866634209 BYSATZOLZVAMKV-JFGNBEQYSA-N 316.239 3.355 10 10 DGCE CC(C)OC(=O)[C@@H]1CCCN1Cc1cc(Cl)cc(F)c1O 775709233 FKPVOWVUXVPHLF-ZDUSSCGKSA-N 315.772 3.101 10 10 DGCE COc1cc(O)c(CN[C@H](C)c2nc(C)cs2)cc1OC 776162908 NOGXXTPSVKZBRY-SNVBAGLBSA-N 308.403 3.025 10 10 DGCE CN(C)c1ccc(CNC(=O)c2cc(Cl)cc(F)c2N)cc1 1135642396 FZVRSQRYGBTEQX-UHFFFAOYSA-N 321.783 3.057 10 10 DGCE COc1cc(C)cc(CNCc2ccc(C)c([N+](=O)[O-])c2)c1O 895457284 DRIITSXZDUJENV-UHFFFAOYSA-N 316.357 3.216 10 10 DGCE COc1ccc2c(c1)CCCCN2Cc1ccnc(N(C)C)c1 1168243477 FNQFZMXQVUMZSY-UHFFFAOYSA-N 311.429 3.499 10 10 DGCE CCN[C@H](c1ccccc1O)c1nn(CC)cc1Br 2124773682 RNMZPKAGLYPCNV-CYBMUJFWSA-N 324.222 3.070 10 10 DGCE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1c1ccc(N)cc1 1959572435 MSTMGDKSDKJXNV-TZMCWYRMSA-N 305.422 3.151 10 10 DGCE [N-]=[N+]=NC[C@H]1CCN(C(=O)c2ccsc2Br)C1 1912186932 HNAQIYROBTWUCM-SSDOTTSWSA-N 315.196 3.283 10 10 DGCE CC(=O)c1cc(F)cc(CN2CCOc3cc(C)ccc32)c1O 1459593820 GLMDVABYDHOFKS-UHFFFAOYSA-N 315.344 3.441 10 10 DGCE N[C@@]1(c2ccccc2O)CCOc2ccc(Br)cc21 1920497595 SVRNRQNGVIEIKM-OAHLLOKOSA-N 320.186 3.140 10 10 DGCE COc1ccc(CN[C@@H](C)CCNC(=O)[C@H](C)C2CC2)cc1C 1480758220 LNOJASOTVMGIMR-LSDHHAIUSA-N 318.461 3.034 10 10 DGCE CCO[C@@H]1[C@H](C)[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C 1625240927 SMNXQFWQUXNLED-ZTFGCOKTSA-N 318.461 3.161 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)C1CCSCC1 1635965055 KCPJPRWEDIJHOT-UHFFFAOYSA-N 301.411 3.305 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)Oc1cccc2c1OCCC2 1570692541 AGLXEVJFWNLJCA-CLFYSBASSA-N 312.321 3.042 10 10 DGCE CCN(C)c1ccc(CN(C)[C@@H](CO)Cc2ccccc2)cc1 1643796523 OKMGPVABJIIMGD-HXUWFJFHSA-N 312.457 3.178 10 10 DGCE CN[C@@H](c1ccccc1O)[C@@H](NC(=O)OC(C)(C)C)C(C)C 1928474651 OXNJXDMWCJZTEH-GJZGRUSLSA-N 308.422 3.202 10 10 DGCE O=C(CCOc1cccc(Cl)c1)NCc1c(O)cccc1F 1645048286 OFEVYGQVYFSQTM-UHFFFAOYSA-N 323.751 3.270 10 10 DGCE CCSc1cc(C(=O)NCc2cc(Cl)ccc2O)ccn1 1583817968 WEYOVRFDAXVNDP-UHFFFAOYSA-N 322.817 3.483 10 10 DGCE CC[C@H](NCc1ccc(N2CCOCC2)cc1)[C@@H]1CC1(C)C 1654775376 PEFWQIZOTAVPAM-ROUUACIJSA-N 302.462 3.438 10 10 DGCE CCc1ccc(/C=C2/SC(=S)N(CCN(C)C)C2=O)cc1 1858596178 OMBXVMKFRJIVEL-SDNWHVSQSA-N 320.483 3.012 10 10 DGCE CC(C)(C)OC(=O)N1C2CCC1([C@H](N)c1ccccc1O)CC2 1936986832 MNAPEFGAYIKTQQ-HBSPSFQMSA-N 318.417 3.324 10 10 DGCE CN(Cc1ccc(N)cc1)c1cc(Br)c(F)cc1N 1876366428 JGQNUAMZKRGFEQ-UHFFFAOYSA-N 324.197 3.389 10 10 DGCE Cc1c(Br)cnc(N(C)Cc2ccccc2O)c1N 1877539496 VZJJYPMMLQUVJL-UHFFFAOYSA-N 322.206 3.077 10 10 DGCE COC[C@H](NCc1cc(Cl)cc(Cl)c1O)C(F)(F)F 1973150654 CCPQPBKLJMCBKZ-VIFPVBQESA-N 318.122 3.366 10 10 DGCE CC(C)[C@](O)(CNC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1977957894 JKJFHORWYQJCEO-GOSISDBHSA-N 322.449 3.121 10 10 DGCE CN[C@@H](c1ccccc1O)[C@@]1(NC(=O)OC(C)(C)C)CC1(C)C 1979223561 VLTICVUYQDUWOQ-KSSFIOAISA-N 320.433 3.346 10 10 DGCE C[C@@H](N)c1ccc(N2CC(COC(F)(F)F)C2)cc1Cl 2156323013 FXSOSKDDYOBUHX-MRVPVSSYSA-N 308.731 3.332 10 10 DGCE COC[C@H](CNCc1cc(Br)ccc1O)C(C)C 2027326393 AOSZHYDDLBGCQR-LBPRGKRZSA-N 316.239 3.163 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)c2cc(Br)c[nH]2)CC1 2038001516 CNDHHRUMSADGRW-SECBINFHSA-N 312.171 3.082 10 10 DGCE CNCc1ccc(N2C[C@H](C)C(F)(F)C2)cc1Br 2040578210 YEIUXMUWIVFHEY-VIFPVBQESA-N 319.193 3.260 10 10 DGCE CC1(C)C[C@H](CNCc2ccc(Br)cc2O)CO1 2041444474 ZRYFTZLYMGOCTK-SNVBAGLBSA-N 314.223 3.059 10 10 DGCE Cc1ncccc1CNCc1ccc(Br)cc1O 705533335 YVHYWCJAVMLWOL-UHFFFAOYSA-N 307.191 3.148 10 10 DGCE CC(C)[C@@H]1C[C@H](NCc2ccc(Br)cc2O)CO1 691467261 NHVNPHUTSALKKP-JSGCOSHPSA-N 314.223 3.058 10 10 DGCE Oc1c(Br)cccc1CN[C@@H]1CCCC1(F)F 397931396 BULULHQRMDGFMB-SNVBAGLBSA-N 306.150 3.432 10 10 DGCE Oc1cc(Br)ccc1CN[C@H]1C[C@H]2[C@@H](C1)C2(F)F 2045618040 NVJNATZSQFBOJA-RTCCRHLQSA-N 318.161 3.288 10 10 DGCE NCc1ccc(N2CC[C@H]3CC[C@H]2C3)c(F)c1Br 2049725570 MOAUQEINVSVWEN-KOLCDFICSA-N 313.214 3.426 10 10 DGCE CC1(C)CNCC[C@@H](Nc2c(N)cccc2Br)C1 2071634099 YNJXZLPJJAIPJI-SNVBAGLBSA-N 312.255 3.221 10 10 DGCE CO[C@H]1CC(F)(F)CC[C@H]1NCc1cnc(SC)s1 2269271632 NEFBACBGQSFOMW-ZJUUUORDSA-N 308.419 3.157 10 10 DGCE CCS[C@H]1CC[C@H](N(C)C(=O)C=Cc2ccc(O)c(O)c2)C1 2307987735 HLIWZMDKTPQLOF-KBPBESRZSA-N 321.442 3.244 10 10 DGCE Nc1ccc(C[S@@](=O)Cc2ccccc2Br)cc1 2318742957 IKEKOEGLIVXALI-GOSISDBHSA-N 324.243 3.480 10 10 DGCE CC[C@@H](CNC(=O)C(C)(C)CC)NCc1ccc(OC)c(C)c1 1267815856 AHBRIZGWMAQBEN-INIZCTEOSA-N 320.477 3.424 10 10 DGCE CCn1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)c2ccccc21 20237029 BKCZKTDDJYBODV-CWRJJJRUSA-N 320.352 3.112 10 10 DGCE C[C@H](Nc1ccc(Br)nc1)c1c(O)cccc1O 235552516 MGRKMAWCXJRHKA-QMMMGPOBSA-N 309.163 3.428 10 10 DGCE CC(C)Cc1ccc(S(=O)(=O)Nc2ccc(N)cc2)cc1 36283896 DDKAYZUQCIHMRG-UHFFFAOYSA-N 304.415 3.268 10 10 DGCE COCc1nc(CN(c2ccc(OC)cc2)[C@@H](C)C2CC2)no1 182604444 XBFWZPUNRIGTCD-LBPRGKRZSA-N 317.389 3.030 10 10 DGCE O=C(NCc1cc(O)ccc1O)c1ccc(C(F)(F)F)cc1 212243329 XFOUJZRNZIPUMN-UHFFFAOYSA-N 311.259 3.047 10 10 DGCE Nc1ccc(CCNC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)cc1 237946649 MHPZCRKXEKVXGF-SJORKVTESA-N 314.816 3.385 10 10 DGCE CC1(C)CN(c2ccc(CN)cc2)CCN1Cc1ccccc1 382699292 UNKLSPRJWPVLJF-UHFFFAOYSA-N 309.457 3.246 10 10 DGCE Nc1ccc(Oc2cc([N+](=O)[O-])ccc2Br)nc1 236358017 HHXRHEQEVFYNEI-UHFFFAOYSA-N 310.107 3.127 10 10 DGCE COc1cc(F)c([N+](=O)[O-])c(NCc2cccc(OC)c2O)c1 92649019 YXWLJPXYUORCOF-UHFFFAOYSA-N 322.292 3.069 10 10 DGCE CC(F)(F)CCC(=O)NCc1cc(Br)ccc1O 804734395 IYKZDHXSJXVBKA-UHFFFAOYSA-N 322.149 3.206 10 10 DGCE Cc1cc(CN)ccc1N(CC(F)(F)F)CC(F)(F)F 719433404 DZKKCTVVDWSBHW-UHFFFAOYSA-N 300.246 3.385 10 10 DGCE CSc1ncc(CNC2=NC[C@@H](CC(C)C)S2)s1 2256949870 UJWGVZHICBGEHP-SECBINFHSA-N 301.506 3.472 10 10 DGCE Cc1cc(O)c(CNC[C@]23OCCC[C@H]2C3(F)F)cc1Cl 827252083 WLVOZRPLYPHHBV-KGLIPLIRSA-N 317.763 3.258 10 10 DGCE Cc1cc(CC(=O)NCC(F)(F)F)c(C)n1-c1ccccc1 820764797 GWNBVOLAEULICT-UHFFFAOYSA-N 310.319 3.315 10 10 DGCE Cc1cc(O)c(CN2CCC(c3cnc[nH]3)CC2)cc1Cl 824818208 HLMUACBWINONTF-UHFFFAOYSA-N 305.809 3.457 10 10 DGCE Cc1cc(CN2CCC(=O)[C@H](C)C2)ccc1N1CCCCC1 828965007 ITCMBORPZVNRGV-MRXNPFEDSA-N 300.446 3.396 10 10 DGCE Cc1cc(O)c(CNCCOc2ncccc2F)c(Cl)c1 840906934 KJBFLZDRMIXZJE-UHFFFAOYSA-N 310.756 3.057 10 10 DGCE CC(C)(C)c1cc(O)c(O)c(CN2CCC[C@@]3(CCOC3)C2)c1 840144261 ZOANRVONCCBQSQ-LJQANCHMSA-N 319.445 3.398 10 10 DGCE Cc1nsc(C)c1CN1CCOc2cc(N(C)C)ccc21 846838348 YOIOJDHSWDHIMW-UHFFFAOYSA-N 303.431 3.225 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](COc3ccc(N)cc3)[C@@H]2C1 1897886886 DWFVAPFWMVMMAK-XHSDSOJGSA-N 318.417 3.151 10 10 DGCE CC[C@H](C)CCC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855223262 FBFUQCMCLLAIAX-GJZGRUSLSA-N 304.434 3.216 10 10 DGCE CC[C@H](NC[C@H](n1cccn1)C(F)(F)F)c1ccccc1O 858448591 DHKOVOAPOFVJKR-JSGCOSHPSA-N 313.323 3.433 10 10 DGCE CC[C@@H](NC[C@@H]1CCC2(CCOCC2)O1)c1ccc(F)cc1O 927015941 RTKVIWWDSMNCFA-GOEBONIOSA-N 323.408 3.300 10 10 DGCE COc1cc(CNCC2(CCO)CCC2)c(O)c(C(C)(C)C)c1 850195096 XRKJVIPLKHZVMQ-UHFFFAOYSA-N 321.461 3.341 10 10 DGCE c1cc(N2CCCC2)ccc1CN[C@H]1CCOC12CCCC2 934392192 UKRXLXAVMHSNPG-SFHVURJKSA-N 300.446 3.478 10 10 DGCE C[C@H](NCC[C@H](O)C(F)F)c1cc(Cl)c(Cl)cc1O 866442679 QKJZWDRGRRXDRU-WKEGUHRASA-N 314.159 3.366 10 10 DGCE CCN(CC)c1ccc(CN2CCO[C@H](CCF)C2)cc1F 862530538 OEIYHXMXFVFLAH-OAHLLOKOSA-N 312.404 3.232 10 10 DGCE Cc1nc(C2CC2)oc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 775406735 ZRPGWWULEKJJGS-NSHDSACASA-N 313.401 3.417 10 10 DGCE CN1CCN(c2ccc(CN3C[C@H]4CCCC[C@@H]4C3)cc2)CC1 775698745 RZHCMPBSEYFECL-RTBURBONSA-N 313.489 3.060 10 10 DGCE COc1cccc(O)c1CNC[C@]1(C)CCOC2(CCC2)C1 886344813 LSVOESVAXPPVDW-QGZVFWFLSA-N 305.418 3.230 10 10 DGCE Cc1cc(O)c(CNC/C=C\CNC(=O)OC(C)(C)C)cc1C 789866935 VAQUXWLGWGMHIT-SREVYHEPSA-N 320.433 3.180 10 10 DGCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCC2CCC2)c1 1136156540 BKIAYDJGWPIYCB-UHFFFAOYSA-N 310.397 3.437 10 10 DGCE C[C@H](CN(C)Cc1ccccc1)NCc1cc(F)cc(F)c1O 708454775 RPGCDYAZDNUPAG-CYBMUJFWSA-N 320.383 3.281 10 10 DGCE COc1ccc(O)c([C@@H](C)N(CC(=O)O)Cc2ccccc2)c1 692425197 FSVDBKUCKTYUQO-CYBMUJFWSA-N 315.369 3.049 10 10 DGCE CN(C[C@@H]1C[C@@H]1C1CC1)c1ccc(CO)cc1Br 698331884 BAYPFPCJANDBHV-QWHCGFSZSA-N 310.235 3.424 10 10 DGCE CCc1cccc(NC(=O)c2ccc(N=NC(N)=O)cc2)c1O 1304253897 HWAGXFAHYIRWFC-UHFFFAOYSA-N 312.329 3.369 10 10 DGCE COc1ccc(CNC(=O)NC[C@@H]2C[C@@H](C)C[C@@H](C)C2)c(O)c1 1312985260 WCUUDSMJSMSSRY-WDNDVIMCSA-N 320.433 3.272 10 10 DGCE O=C(Nc1cccc(-n2cccc2)c1)c1c(F)ccc(O)c1O 1182303179 PKXPGRMEZCTYQA-UHFFFAOYSA-N 312.300 3.280 10 10 DGCE Cc1ccc(O)c2c1[C@H](C)C[C@H]2NC[C@@H]1CNCCC1(F)F 1354234661 ILRKIEAZHGJUQP-FRRDWIJNSA-N 310.388 3.083 10 10 DGCE CN(C)c1ccc(CNC(=O)[C@H](O)C2CCCCCCC2)cc1 1440649736 XHGAURYCSQWMQA-GOSISDBHSA-N 318.461 3.090 10 10 DGCE CCC1(C(=O)N[C@@H](C)[C@@H](C)NCc2ccc(OC)c(C)c2)CC1 1282184375 JDWOUNFKIHNGMM-CABCVRRESA-N 318.461 3.177 10 10 DGCE CN[C@H](C)c1ccc(N(CCCO)Cc2ccccc2)cc1O 1914615288 WPGQQXPVQNJIMU-OAHLLOKOSA-N 314.429 3.062 10 10 DGCE CN(C)c1nccc2cc(NC(=O)c3cc(O)cs3)ccc12 1298099505 QRACPUCCHHUZJT-UHFFFAOYSA-N 313.382 3.320 10 10 DGCE CSC(C)(C)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1531693950 MWKIXFRWSMAMMK-UHFFFAOYSA-N 306.475 3.387 10 10 DGCE CCN(CC)c1ccc(CNC(=O)c2ccc3cccnn23)cc1 1534245409 BXPWBVKQLIJYKO-UHFFFAOYSA-N 322.412 3.111 10 10 DGCE Cc1nnc(N(C)Cc2ccccc2O)n1CC1=CCCCC1 1707861736 UCHFZIODSARTGN-UHFFFAOYSA-N 312.417 3.429 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](CC)CC(F)F 1623573695 DTKMNQKGBIWUKG-JTQLQIEISA-N 306.349 3.176 10 10 DGCE CC[C@H](NC(=O)c1cc(C)n(-c2ccccc2C)c1C)[C@H](C)O 1556585668 BLBQDQSNPNVVDE-RDJZCZTQSA-N 314.429 3.292 10 10 DGCE CCC(C)(C)[C@@H](O)C(=O)NCc1ccc(N2CCCCC2)cc1 1639735241 WHCZTFPYGQRYGB-KRWDZBQOSA-N 318.461 3.090 10 10 DGCE COc1ccc2c(c1)[C@@H](NC(=O)c1cc(O)cs1)CCC2 1630997793 ZLPDIFKQKCNILP-AWEZNQCLSA-N 303.383 3.270 10 10 DGCE C[C@@H](NCc1nccn1Cc1ccccc1)c1ccccc1O 1560074348 RHVBHHBGSHNVJB-OAHLLOKOSA-N 307.397 3.488 10 10 DGCE O=C(c1cc(O)cs1)N1CCCC[C@@H]1Cc1ccc(O)cc1 1647858698 GZMSGQAYHGPDFJ-CYBMUJFWSA-N 317.410 3.397 10 10 DGCE COc1ccc(N(C)CCN(C)C[C@@H]2CCC(F)(F)C2)cc1 1659280755 IIDNLAAPLUYTTP-CQSZACIVSA-N 312.404 3.499 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)Cc1cccc(O)c1 1587552356 PZHJKNKOYZZUME-UHFFFAOYSA-N 324.424 3.194 10 10 DGCE O=C(NCc1c(O)cccc1F)c1cc2ccccc2cc1O 1652295148 BWTBUKHJTLJXAE-UHFFFAOYSA-N 311.312 3.320 10 10 DGCE CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NC(C)=O 1857997020 WVJSHDINJHNTOS-UHFFFAOYSA-N 317.320 3.268 10 10 DGCE CN1N=C(c2ccccc2)/C(=C/c2cc(Cl)ccc2O)C1=O 1865666721 UQMAOLYQOZMFRQ-UVTDQMKNSA-N 312.756 3.305 10 10 DGCE CNCc1ccc(N2CCSCC(F)(F)C2)cc1Cl 1878901235 ZMQKEQDWBSYSFP-UHFFFAOYSA-N 306.809 3.248 10 10 DGCE CC1(NC(=O)OC(C)(C)C)CC(NCc2c(O)cccc2F)C1 1964575311 CEYSMGABWXCQKK-UHFFFAOYSA-N 324.396 3.067 10 10 DGCE CC[C@@](O)(c1ccc(N(C)C)cc1)[C@H](C)NC(=O)OC(C)(C)C 1977957127 CIKUZWNSOGYCOS-UGSOOPFHSA-N 322.449 3.263 10 10 DGCE CN1CCc2cc([C@@H](O)C(C)(C)NC(=O)OC(C)(C)C)ccc21 1977938617 KJOZZWPDBHGXPZ-OAHLLOKOSA-N 320.433 3.016 10 10 DGCE C[C@H](NC[C@H]1C[C@H]1NC(=O)OC(C)(C)C)c1cc(F)ccc1O 1978009154 OTYUOXGFWZZVHQ-MISXGVKJSA-N 324.396 3.095 10 10 DGCE C[C@@H](C(F)F)N(C)c1ccc(CN)c(Br)c1F 2009016406 ZOYWGWBKLJNIHB-LURJTMIESA-N 311.145 3.137 10 10 DGCE CN(c1ccc2c(c1)CC[C@H]2O)[C@@H]1CCN(Cc2ccccc2)C1 2012707295 RBNMPXIFFSIIHA-TZIWHRDSSA-N 322.452 3.377 10 10 DGCE Nc1cccc(Br)c1N[C@H]1COC[C@H]1CC1CC1 2040330498 PSPCQHLEHBIZJP-MFKMUULPSA-N 311.223 3.258 10 10 DGCE CC(C)N(Cc1ccc(N)cc1)C(=O)COCc1ccccc1 404414709 QWVZQRYKTXULDR-UHFFFAOYSA-N 312.413 3.223 10 10 DGCE OC[C@H]1CCC[C@@H](NCc2cc(Cl)cc(Cl)c2O)C1 311513066 RVXNAIPFRLKJDZ-JOYOIKCWSA-N 304.217 3.340 10 10 DGCE COc1cccc(Cn2nc(C3CC3)c(C3(C)CC3)c2N)c1O 2079693983 LXRSNJYGZAZJBM-UHFFFAOYSA-N 313.401 3.157 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2C[C@@H](F)C[C@H](F)C2)c1O 2182568450 ZOGUPSARRYLBGC-RYUDHWBXSA-N 303.736 3.130 10 10 DGCE CO[C@@H]1CC[C@@H]1CCN(C)c1cc(Cl)c(CN)cc1F 2186880930 YHZLTYWCRLEIKB-MEBBXXQBSA-N 300.805 3.189 10 10 DGCE CN(CC[C@H]1CC1(F)F)c1ccc(CN)cc1Br 2075413043 LGPFYSUKSJGIIY-JTQLQIEISA-N 319.193 3.389 10 10 DGCE CSc1ncc(CNC(=O)c2cnc(C)cc2Cl)s1 2269322959 UUTBFVKBGLPMLH-UHFFFAOYSA-N 313.835 3.152 10 10 DGCE CN(Cc1ccccc1O)C(=O)c1cc(Cl)cnc1Cl 2236666165 CMNAYQVOKCVTNS-UHFFFAOYSA-N 311.168 3.366 10 10 DGCE COc1cc(OC)c(N(C)CC[C@H](N)C(C)C)cc1Cl 2285937104 PXIXUORIPRWPJQ-LBPRGKRZSA-N 300.830 3.167 10 10 DGCE CSc1ncc(CNC(=O)c2ccc(Cl)c(O)c2)s1 2269099945 QQJXJFVWFYNHDF-UHFFFAOYSA-N 314.819 3.154 10 10 DGCE CSc1ncc(CN=c2[nH]nc(-c3ccccc3)s2)s1 2284636388 KBCOKIJCMVUXQQ-UHFFFAOYSA-N 320.468 3.418 10 10 DGCE O=C1NC(=S)SC1=CC=CC=Cc1ccc([N+](=O)[O-])cc1 2296734184 PEBPEACSBWBPRK-UHFFFAOYSA-N 318.379 3.196 10 10 DGCE Cc1ccc(C=CS(=O)(=O)Nc2ccc(O)cc2F)cc1 2297546683 LPXKLAJTHUQIKG-UHFFFAOYSA-N 307.346 3.252 10 10 DGCE O=C(/C=C/c1cnccn1)N(Cc1ccccc1)c1ccncc1 492896764 LOEKGVLRWSQGAJ-VOTSOKGWSA-N 316.364 3.118 10 10 DGCE Oc1cc(Br)ccc1CN1C[C@@H]2C[C@H]1C(F)(F)C2 2308475379 NXHTXBIZRDEUQV-PELKAZGASA-N 318.161 3.384 10 10 DGCE COC[C@]1(C)CCN1Cc1ccc(C)c(Br)c1O 2327805001 XTTZUOUNWGMETQ-AWEZNQCLSA-N 314.223 3.074 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN(C(=O)c2cc(Br)ccn2)C1 2336287970 UGRGUAVWDNOPPJ-SECBINFHSA-N 324.182 3.007 10 10 DGCE Nc1ccc(OCCn2c(=O)ccc3cc(Cl)ccc32)cc1 75282563 CFZOCTUCKVAVAA-UHFFFAOYSA-N 314.772 3.316 10 10 DGCE O=C1c2ccccc2N[C@H](c2ccccc2O)N1C[C@H]1CCCO1 70869165 FOJCLPBXRNXUDR-ACJLOTCBSA-N 324.380 3.138 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H](NCc2cccc(F)c2O)C1 226609563 GBCPVIZTECPUEJ-ZDUSSCGKSA-N 324.396 3.020 10 10 DGCE CO[C@H](C)[C@H](C)NC(=O)c1cc(C)n(-c2ccccc2)c1C 190410553 SEBSMZNPZGHZQH-DZGCQCFKSA-N 300.402 3.247 10 10 DGCE C[C@H](N[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)c1ccccc1O 381377009 OGUCVNHWRMXANR-AVGNSLFASA-N 308.422 3.345 10 10 DGCE CC[C@H](CNC(=O)OC(C)(C)C)NCc1ccc2c(c1)CCO2 227723112 GUHSAECBKYCINO-OAHLLOKOSA-N 320.433 3.014 10 10 DGCE C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)N[C@H]1CCc2cccc(O)c21 381799806 UDFFUBYBVZUDEW-DYEKYZERSA-N 320.433 3.271 10 10 DGCE CC(C)(C)OC(=O)NCC1CC(C[C@H](N)c2ccccc2O)C1 1936971317 UZNCGMVJJMDKLR-PIMMBPRGSA-N 320.433 3.333 10 10 DGCE CCO[C@@H]1C[C@H](N[C@H](C)c2cc(OC)ccc2O)C12CCC2 248530093 XEDYHEJUJUTLFK-OAUYIBNBSA-N 305.418 3.399 10 10 DGCE CCCOc1ccc(CN2CCO[C@@H]3CCCC[C@H]32)c(O)c1 246062922 YOQVHHIJAYMYOZ-SJLPKXTDSA-N 305.418 3.324 10 10 DGCE CCNCc1ccc(N2C[C@@H]3CCCN3C[C@H]2C)c(Cl)c1 250169459 IHCKGUGUTRCFOQ-HIFRSBDPSA-N 307.869 3.122 10 10 DGCE Oc1c(Cl)cccc1CNC1CCN(c2nccs2)CC1 281223318 KMBSYWWGLJNTSS-UHFFFAOYSA-N 323.849 3.261 10 10 DGCE C[C@H]1C[C@@H](CCNCc2cc(Cl)c(F)cc2O)CCO1 293636718 NPCYLUCRXTVUGS-QWRGUYRKSA-N 301.789 3.480 10 10 DGCE COC(=O)/C=C/c1ccc(N2CC[C@H]2C(C)C)c([N+](=O)[O-])c1 829048335 YIUUQQFNBSAACZ-IYNGYCSASA-N 304.346 3.016 10 10 DGCE CN(C)c1ccc(/C=C\CNCCc2ccc(CO)cc2)cc1 835041911 BKRJAGFPYDXHIU-ARJAWSKDSA-N 310.441 3.090 10 10 DGCE Cc1ccc([C@H]2[C@@H](N)CCCN2C(=O)OC(C)(C)C)c(O)c1 1952606705 CXEASDPHMQFMQS-ZFWWWQNUSA-N 306.406 3.100 10 10 DGCE CCc1cccc(CNc2ccc(C)c(S(C)(=O)=O)c2)c1O 848900198 CXHCQSBUCZLYJG-UHFFFAOYSA-N 319.426 3.279 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCC[C@H]([C@H]3CCNC3)C2)cc1 843125221 OKYAZNJCUAGJPP-ILEOKINWSA-N 313.489 3.087 10 10 DGCE COc1cccc(CNCC2(C(=O)OC(C)(C)C)CCC2)c1O 850412948 MHNKWHZTZYWQHS-UHFFFAOYSA-N 321.417 3.002 10 10 DGCE C[C@@H]1CCN(Cc2c(O)ccc3ccncc23)C[C@@H]1n1ccnc1 759156655 HJDKUIGLUGDTQF-KDOFPFPSSA-N 322.412 3.220 10 10 DGCE COC(=O)c1ccc(O)c([C@@H](C)NC[C@H](C)c2ccncc2)c1 756632966 GCWNCGXXWBRDFF-QWHCGFSZSA-N 314.385 3.028 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)N[C@H](C)CC(C)C)C2)cc1 852222631 IJFYYUMAEHOABP-HUUCEWRRSA-N 319.449 3.008 10 10 DGCE c1ccc(COc2ccc(N3CC[C@H]4NCC[C@H]4C3)cc2)cc1 1899862543 ULBJTWKIWYPHBS-FXAWDEMLSA-N 308.425 3.454 10 10 DGCE C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C1CCC(F)CC1 856080567 LBJSCIAIDSSKCH-BQVJRQDLSA-N 307.365 3.144 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCCC[C@@H]3C)C2)cc1 855225051 NMEUQWZOLGGRKL-MPGHIAIKSA-N 316.445 3.216 10 10 DGCE CCn1cc(CC(=O)N2Cc3cccc(O)c3C2)c2ccccc21 871201370 UMIZCJKXMHRCPV-UHFFFAOYSA-N 320.392 3.452 10 10 DGCE Cc1cccc(NC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)c1 775835467 ZINKVCVPVNHFOS-OAHLLOKOSA-N 311.429 3.350 10 10 DGCE CC(=O)c1cc(Cl)cc(CN[C@H](C)c2nccnc2C)c1O 880105374 BOJMKBPMQLQAFD-SNVBAGLBSA-N 319.792 3.197 10 10 DGCE C[C@H]1[C@@H](C)O[C@H](C)CN1Cc1cccc(Br)c1O 783736968 GRKQOQAPOQIDMC-OUAUKWLOSA-N 314.223 3.152 10 10 DGCE C/C(=C/c1cccnc1)C(=O)N1C[C@H](C)Oc2cc(F)ccc21 1126538935 ZBSFYDVJLSFUMB-FSBNRTBOSA-N 312.344 3.438 10 10 DGCE C[C@@H](CN(C)C(=O)OC(C)(C)C)N[C@H](C)c1ccc(O)cc1O 706533695 AODNMMJIOUVEII-NWDGAFQWSA-N 324.421 3.004 10 10 DGCE O=C(c1cccc(O)c1O)N1CCc2c(Cl)cc(F)cc2C1 1141588009 CQMCRLKYARDMMH-UHFFFAOYSA-N 321.735 3.089 10 10 DGCE Oc1cc(Br)ccc1CNC1CC2(CSC2)C1 717906298 BUHBWNVHKGAXLX-UHFFFAOYSA-N 314.248 3.140 10 10 DGCE C[C@H]1CCN(Cc2cc(Br)cc(F)c2O)C[C@H]1F 1621200334 HWZNXCXQSVXSED-QPUJVOFHSA-N 320.177 3.474 10 10 DGCE [N-]=[N+]=N[C@H]1CCN(C(=O)c2cscc2Br)C1 1912159904 ODXWOJDKOSEINM-LURJTMIESA-N 301.169 3.035 10 10 DGCE C[C@H](N)c1ccc(N(Cc2ccccc2)[C@H]2CCOC2)cc1O 1915433564 CFCATYPLGNZLSP-YOEHRIQHSA-N 312.413 3.207 10 10 DGCE Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CC=CCC1 1511779143 MJFNSALQJNEUKQ-OAHLLOKOSA-N 312.417 3.285 10 10 DGCE CCc1cc(N[C@@H](C)Cc2ccc(O)c(O)c2)nc(CC)n1 1472754779 AJYYDYWBUKLUAW-NSHDSACASA-N 301.390 3.056 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CC2CCC1CC2 1635526125 KFDBMDWJNAPXSM-QIMFLAQGSA-N 308.809 3.424 10 10 DGCE Cc1cc(C)c(CC(=O)NCc2c(O)cccc2F)c(C)c1 1638864059 SLZKGDJGAKMAHZ-UHFFFAOYSA-N 301.361 3.315 10 10 DGCE CC(C)c1ccc(C(=O)NCc2ccc3cccnc3c2O)nc1 1570533721 NYRXMTZPNAJSHI-UHFFFAOYSA-N 321.380 3.389 10 10 DGCE C[C@@H]([C@@H](N)c1ccccc1O)N(C(=O)OC(C)(C)C)C1CC1 1928476402 JDFMYLPVOMYWAY-XHDPSFHLSA-N 306.406 3.180 10 10 DGCE CCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2)SC1=S 16904487 GDAXGXHCMXFGGY-AWPPVZKDSA-N 321.423 3.141 10 10 DGCE Nc1ccc(NC(=O)C2=NO[C@@H](c3c[nH]c4ccccc34)C2)cc1 586034587 JKFRQHBTSMZVNG-QGZVFWFLSA-N 320.352 3.206 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2CCCN(CCCN=[N+]=[N-])[C@H]2C1 1962298941 JOUAWSDXHLLCEU-OLZOCXBDSA-N 309.414 3.018 10 10 DGCE CNCc1ccc(N2CCCSC[C@@H]2C(F)(F)F)cc1 2143599875 RORIPIGUVJZKEM-CYBMUJFWSA-N 304.381 3.280 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@](F)(CNc2ccc(N)cc2)C1 1977662631 MCZSQPOPGPQERT-KRWDZBQOSA-N 323.412 3.420 10 10 DGCE CCN(C[C@H](NC)c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C 1977947047 ZWQACUVKFLVVHY-INIZCTEOSA-N 321.465 3.270 10 10 DGCE NC(=O)c1cc(NCc2ccc(Cl)cc2O)ccc1Cl 2146309490 UHUQTBGWUOIHRC-UHFFFAOYSA-N 311.168 3.410 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@H](F)C[C@H]2C)c(Br)c1 1997690812 FFRJQMVYIXNGNM-FXPVBKGRSA-N 302.187 3.439 10 10 DGCE COc1ccc([C@@H](C)N[C@@H]2CCCC3(CC2)OCCO3)c(O)c1 2152100758 MRAPWNWAMIEVJJ-ZIAGYGMSSA-N 321.417 3.127 10 10 DGCE Nc1ccc2c(ccn2Cc2cnsc2Br)c1 2007013942 VYIZPYPYLRJISH-UHFFFAOYSA-N 308.204 3.491 10 10 DGCE CCCO[C@H]1CCN(Cc2cc(Br)ccc2O)C1 706215855 IQXBUZZQLCIMII-ZDUSSCGKSA-N 314.223 3.156 10 10 DGCE C[C@H](N)c1ccc(N2CCO[C@H](C)[C@H]2C)c(Br)c1 380581813 XTMBSYLIJQODBX-HBNTYKKESA-N 313.239 3.082 10 10 DGCE CNC(=O)c1cc(C2CC2)nn1[C@@H](C)c1cc(C)c(C)cc1O 2070038261 BVSJYPIEWODXAK-LBPRGKRZSA-N 313.401 3.052 10 10 DGCE CCc1nn([C@H](c2ccc(OC)cc2O)C2CC2)c(Cl)c1N 2079998596 ROFTUBLYKMDVJB-HNNXBMFYSA-N 321.808 3.395 10 10 DGCE Nc1ccc(CCCNC(C(F)(F)F)C(F)(F)F)cc1 2183903304 IHKITNRMJAPIEB-UHFFFAOYSA-N 300.246 3.284 10 10 DGCE Oc1c(F)cc(Br)cc1CN[C@@H]1[C@H]2C[C@H]2[C@H]2C[C@H]21 2047794503 JTPNYYFKMOJIEJ-RNFDROQYSA-N 312.182 3.038 10 10 DGCE CN(C[C@H]1C[C@H]1CF)c1cc(Br)c(CN)cc1F 2071382541 QYAYEHVWTBJSQH-WCBMZHEXSA-N 319.193 3.089 10 10 DGCE CC1(C)CCC(S(=O)(=O)N2CCC(N=[N+]=[N-])CC2)CC1 2239981699 PUJYFOFQKXEQLL-UHFFFAOYSA-N 300.428 3.060 10 10 DGCE Cc1ccc(O)c([C@@H](C)Nc2cnncc2Br)c1 2264144948 FOHFHLKTQFRMNE-SECBINFHSA-N 308.179 3.426 10 10 DGCE CSc1ncc(CNc2ccc([N+](=O)[O-])c(N)c2F)s1 2284689491 HFYWZHPDHXCFTI-UHFFFAOYSA-N 314.367 3.107 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)Nc1ccccc1N1CCCC1 2307982188 RUZMKSILQGDJRA-UHFFFAOYSA-N 324.380 3.350 10 10 DGCE CC[C@@H](N[C@@H]1CC[C@@H](O)C1)c1cc(Br)ccc1O 2319992798 AJPGDEMTDHVSPF-NQBHXWOUSA-N 314.223 3.109 10 10 DGCE CCN1CCN(N=Nc2ccc(C)c(Br)c2)CC1 2330222940 HCMDNHMHBGEFRC-UHFFFAOYSA-N 311.227 3.394 10 10 DGCE Cc1ccc(CN(C)C2CCOCC2)c(O)c1Br 2327581351 MSKHJDVIZOWAPG-UHFFFAOYSA-N 314.223 3.074 10 10 DGCE CNCc1cc(F)c(N2C[C@@H](SC)CC2(C)C)c(F)c1 2360508257 HFICROSJDIMNSK-NSHDSACASA-N 300.418 3.405 10 10 DGCE C[C@H](NC[C@@H]1CCC[C@H]1O)c1ccc(N2CCCCC2)cc1 305128281 JDGNUEHZMJHDJD-VDZJLULYSA-N 302.462 3.489 10 10 DGCE N[C@H]1CC[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3O)C[C@@H]2C1 2358235993 FVJQQKIUHUGQDM-NRUUGDAUSA-N 315.244 3.258 10 10 DGCE COc1ccc(O)c([C@@H](C)NC[C@](C)(O)C2CCCCC2)c1 188680918 WZXCZZLFQOGMTB-ACJLOTCBSA-N 307.434 3.383 10 10 DGCE C[C@H](Nc1ccccc1SCC(N)=O)c1ccccc1O 37071927 PLPAWNBLVXOGDB-NSHDSACASA-N 302.399 3.143 10 10 DGCE Cc1ccc([C@@H](C)NCCOc2ccc3c(c2)OCO3)c(O)c1 185110946 RDVALJOPHTWMFU-CYBMUJFWSA-N 315.369 3.159 10 10 DGCE Nc1ccc(OCCC[S@@](=O)c2cc(F)ccc2F)cc1 40970814 YTDAXEZSBHTDLU-NRFANRHFSA-N 311.353 3.124 10 10 DGCE Cc1cc(CN)ccc1N1CCN(Cc2ccccc2)C[C@@H]1C 382785634 XSZMVCULDVJZSD-KRWDZBQOSA-N 309.457 3.164 10 10 DGCE CNCc1ccc(N2C[C@H]3CCC[C@@H]3C2)cc1Br 234437238 QKPRFRJAVPWHTI-CHWSQXEVSA-N 309.251 3.405 10 10 DGCE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NCc1ccccc1O 180392142 YRNTZYOMHOVQMM-ZFWWWQNUSA-N 320.433 3.127 10 10 DGCE COc1cccc(CNC(=O)C/C=C\c2cccc(F)c2)c1O 255908922 KRKRBFULWQPAKP-UTCJRWHESA-N 315.344 3.260 10 10 DGCE C[C@@H]1OCC[C@H]1N(C)[C@H](C)c1cc(Br)ccc1O 252788084 JCZYXWJBNCSIIL-GBIKHYSHSA-N 314.223 3.325 10 10 DGCE CC[C@H](NC[C@H](CO)c1cccnc1)c1cccc(Cl)c1O 806178945 MEMXDYBZDIQUKW-CJNGLKHVSA-N 320.820 3.257 10 10 DGCE N[C@@H](c1cccs1)c1cc(F)cc(Br)c1O 396477445 XZEKWPNPZASYTQ-SNVBAGLBSA-N 302.168 3.403 10 10 DGCE Cc1cccc(CN[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c1O 721879819 IYJCJUKDGXZOMG-UKRRQHHQSA-N 320.433 3.046 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)NCCC1(COC)CC1 827513697 NDWRIRJWCJSUTL-UHFFFAOYSA-N 320.433 3.131 10 10 DGCE CCc1ccccc1NC(=S)NCc1cccc(OC)n1 748045410 DFJKNGDFRNSLOG-UHFFFAOYSA-N 301.415 3.139 10 10 DGCE CC1(C)CCC[C@H]1[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)C1 843503304 BPXKBSJCOYTBDF-WBVHZDCISA-N 300.446 3.486 10 10 DGCE Cc1cc(O)c(CNC[C@@H]2COC3(CCCC3)O2)c(Cl)c1 840908181 PIPRCNJKTVXHEG-GFCCVEGCSA-N 311.809 3.129 10 10 DGCE COc1cccc([C@H](C)NCc2nccn2CC(C)C)c1O 846145536 LHQFGBVOYWMFKM-ZDUSSCGKSA-N 303.406 3.104 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)C(C)(C)OC 925485046 KYTORDOXKDTHOM-CQSZACIVSA-N 321.465 3.098 10 10 DGCE CC[C@H](NCC[C@H](N(C)C)C(F)(F)F)c1ccccc1O 926966217 ZFLKBVJPDDOCPS-JSGCOSHPSA-N 304.356 3.316 10 10 DGCE C[C@@H](O)[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccccc1 850419486 FTIIERRDEIXJNE-ACJLOTCBSA-N 302.393 3.103 10 10 DGCE C[C@H](N[C@@H]1C[C@@H](C)n2ncnc21)c1cc2c(cc1O)CCCC2 850499604 SPWWDTMQZUGBQJ-BFQNTYOBSA-N 312.417 3.219 10 10 DGCE OC1[C@H]2CC[C@H]1CN(c1ccc(OCc3ccccc3)cc1)C2 1899871601 YJGNOORVROQGGI-IRXDYDNUSA-N 309.409 3.473 10 10 DGCE CCC1(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CCCC1 855233938 PPNUYNFFRNWAQD-HNNXBMFYSA-N 316.445 3.361 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]3COCC[C@H]32)c1O 756900526 FKTDVKQLVXLGOT-MLGOLLRUSA-N 323.820 3.249 10 10 DGCE C[C@H](NC[C@@H]1C[C@H]1C1CCOCC1)c1cc([N+](=O)[O-])ccc1O 866538440 SDBVOLSDGDFFEI-RBOXIYTFSA-N 320.389 3.014 10 10 DGCE O=C(CC1CSC1)NCc1ccc(N2CCCCC2)cc1 865030795 DEXQWAUDPCULON-UHFFFAOYSA-N 304.459 3.046 10 10 DGCE CC[C@@H]1CNc2cc3c(cc2N1CC(F)(F)F)OCCO3 57926331 NCHGASIGDDTZMU-SECBINFHSA-N 302.296 3.031 10 10 DGCE COC(=O)N1CCC[C@H]([C@@H](C)N[C@@H](C)c2ccc(C)cc2O)C1 775579677 PQSUIANVDXXLES-ILXRZTDVSA-N 320.433 3.218 10 10 DGCE CO[C@H](C)[C@H](C)N[C@@H](C)c1cc(Br)c(F)cc1O 786574835 GQQRLOJFGBESKX-XHNCKOQMSA-N 320.202 3.368 10 10 DGCE Cc1cc(Br)c(O)c(CN2CCCOC[C@@H]2C)c1 781914740 ZHWWCGRPKKCQFR-NSHDSACASA-N 314.223 3.074 10 10 DGCE COc1cc2c(cc1OC)N(CCc1cccs1)CCN2 76936489 MJBUDEHYPNFXCN-UHFFFAOYSA-N 304.415 3.240 10 10 DGCE CCc1cccc(CNC[C@@H]2CCC3(CCOCC3)CO2)c1O 895536339 KNASERCGEPJNKD-KRWDZBQOSA-N 319.445 3.020 10 10 DGCE CC[C@@H](N[C@H](CC(=O)NC)c1ccccc1)c1ccccc1O 795849701 QCSJXJNRQWSBJS-IAGOWNOFSA-N 312.413 3.310 10 10 DGCE COc1ccc2c(c1)C[C@H](C(C)C)CN2C[C@@H]1COC(C)(C)O1 1171353546 NDRUHDWWEYYMEC-DOTOQJQBSA-N 319.445 3.481 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[C@@H](OC)C1 1321309246 BYPBXYFXXVCCJV-JKSUJKDBSA-N 320.433 3.271 10 10 DGCE CO[C@@H](C(=O)Nc1c(Cl)ccc2nonc12)C1CCCCC1 1261779595 RQTAJWSTEMDYAB-CQSZACIVSA-N 323.780 3.410 10 10 DGCE COC[C@@H](C)[C@H](C)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1352616035 WLSBHNUUIDOGRM-CVEARBPZSA-N 318.461 3.164 10 10 DGCE CN(C[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32)c1ccc(CO)cc1Br 2134501920 LFDPUXKXVSJCAN-FSPSUXSGSA-N 322.246 3.280 10 10 DGCE C[C@H](OCc1ccccc1)C(=O)N1CCC[C@H](CN=[N+]=[N-])C1 1912204208 VMFYFIVLEISYBJ-DZGCQCFKSA-N 302.378 3.141 10 10 DGCE COc1ccc(N(C)C[C@H]2CCC3(CCC3)CO2)cc1OC 1459391371 GACGNLUCXVUCMR-OAHLLOKOSA-N 305.418 3.489 10 10 DGCE Cn1ccc2ccc([C@H]3CN(C(=O)OC(C)(C)C)CCN3)cc21 1535970498 QUEIEXWGSZUNQL-OAHLLOKOSA-N 315.417 3.060 10 10 DGCE Cc1cc(Cl)nc(C(=O)NCc2cc(Cl)ccc2O)c1 1628680665 QQGQYQJJIDMXKV-UHFFFAOYSA-N 311.168 3.332 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N2CCc3ccccc3C2)cc1 1624140133 YTKGKQBINMSHEB-UHFFFAOYSA-N 308.341 3.048 10 10 DGCE Cc1ccccc1-n1c(C)cc(C(=O)N[C@@H]2COC[C@H]2C)c1C 1558473880 PONODVCLPGLTID-CXAGYDPISA-N 312.413 3.167 10 10 DGCE Cc1cc(C)c2cc(NC(=O)Cc3ccc(O)c(O)c3)ccc2n1 1634798352 BQMROMYBMZPJMT-UHFFFAOYSA-N 322.364 3.444 10 10 DGCE O=C(NCc1cccc(Cl)c1O)[C@@H]1C[C@H]1c1ccccc1 1637226836 BJYVHMROCCXQHG-UONOGXRCSA-N 301.773 3.466 10 10 DGCE Cc1ccc2c(c1)[C@H](NC(=O)Cc1ccc(O)c(O)c1)CCC2 1641762368 LDUIIULHDXHAAG-MRXNPFEDSA-N 311.381 3.143 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H]1CC[C@@H]1C 1640279439 XHVKGJKJTMFMIX-SJCJKPOMSA-N 310.397 3.435 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)[C@@H]1CCc2cccnc21 1597742767 OWJCDHAMKJUQMK-MRXNPFEDSA-N 318.376 3.287 10 10 DGCE CCCN(Cc1cc(C)cc(OC)c1O)C[C@@H]1CCCCO1 164305155 IDTLCWYTNLQQHQ-INIZCTEOSA-N 307.434 3.490 10 10 DGCE COc1ccc(O)c(CNC(=O)/C(C)=C/c2ccc(F)cc2)c1 155954336 GQMJQGOBBDYHSK-FMIVXFBMSA-N 315.344 3.260 10 10 DGCE CC(=O)c1ccc2c(c1)CCN2/N=N/c1ccc(C(N)=O)cc1 1860480964 NAQPZXHNLUBJLU-FMQUCBEESA-N 308.341 3.050 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1[C@@H](N)c1ccccc1O 1939914838 DKCDSSQKOBAIDY-GVAFMPQTSA-N 318.417 3.038 10 10 DGCE C[C@H]1CN(CCCN=[N+]=[N-])C[C@H](C)C1NC(=O)OC(C)(C)C 1962304473 NBCFWAGRKZRNAX-RYUDHWBXSA-N 311.430 3.168 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCCCCN(CCCN=[N+]=[N-])C1 1962302869 CYZFDPGKARAALN-CYBMUJFWSA-N 311.430 3.456 10 10 DGCE CCN(CCN=[N+]=[N-])C(=O)[C@@H]1CCCN(Cc2ccccc2)C1 1900609582 PBTFDQDGPFBCHB-MRXNPFEDSA-N 315.421 3.057 10 10 DGCE CC(C)(C)OC(=O)NC[C@@]12CCC[C@H]1CN(CCCN=[N+]=[N-])C2 1982247257 FUKQUGUYECLJFJ-XJKSGUPXSA-N 323.441 3.314 10 10 DGCE CN1CCc2cc([C@H](O)C(=O)c3ccsc3Cl)ccc21 2147118237 MPFUIPFXYUINIX-ZDUSSCGKSA-N 307.802 3.310 10 10 DGCE CCNCc1ccc(N2C[C@@H](C)[C@@H](F)C2)c(Br)c1 2035297126 MTANEDLAGZKHAW-MFKMUULPSA-N 315.230 3.353 10 10 DGCE CCCN(CCOC)c1ccc([C@H](C)O)cc1Br 2036709832 YBTLVIWSFWQTEX-NSHDSACASA-N 316.239 3.365 10 10 DGCE CC[C@H](Nc1c(Br)cnn1C)c1ccccc1O 2038257907 VVGSXGSKQVNRQK-NSHDSACASA-N 310.195 3.451 10 10 DGCE CC1(C)CN(c2ccc(CN)cc2Br)CC1(F)F 2040576017 HWCRYGFJCFSVKG-UHFFFAOYSA-N 319.193 3.389 10 10 DGCE C[C@@]1(CNCc2cccc(Br)c2O)CC1(F)F 689213519 VAYBQKFXCYYWLM-NSHDSACASA-N 306.150 3.290 10 10 DGCE C[C@@H]1COCCN([C@H](C)c2cc(Br)ccc2O)C1 399495176 JFLFEDOKDCOPIG-WDEREUQCSA-N 314.223 3.184 10 10 DGCE CCc1c(C2(C)CC2)nn(Cc2c(O)cccc2Cl)c1N 2079806787 RWSIFBDZPKYTMX-UHFFFAOYSA-N 305.809 3.487 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)OCc1ccccc1 2081116057 CWJXOBBOAKOAKU-UHFFFAOYSA-N 308.337 3.367 10 10 DGCE CC[C@H]1C[C@@H]1NCc1c(Br)ccc(OC)c1O 2214870184 ZAIVLHFXINKWLT-KWQFWETISA-N 300.196 3.051 10 10 DGCE CCN[C@H]1CCCN(c2ccc(OC)cc2Br)C1 2221625138 KLYVJZOMUINUAQ-NSHDSACASA-N 313.239 3.036 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NC(=O)c1csc(C(F)(F)F)n1 2234177815 WACKTLKKLQEGDE-NTSWFWBYSA-N 305.285 3.123 10 10 DGCE COc1ccc(N(Cc2ccccc2)C[C@@H](C)O)c(OC)c1C 2246035402 XLWRGXPKOOHCSU-CQSZACIVSA-N 315.413 3.400 10 10 DGCE COc1ccc([C@H](C)NCc2cnc(SC)s2)c(O)c1 2284688748 LQPJMABYMFBJSQ-VIFPVBQESA-N 310.444 3.430 10 10 DGCE CCOc1ccc(NC(=O)C=Cc2ccc(O)c(O)c2)cc1F 2307996744 QFHILUSMLRSUQA-UHFFFAOYSA-N 317.316 3.288 10 10 DGCE O=C1CC[C@@H]2CN(C(=O)C=Cc3cccnc3)c3cccc1c32 2309215419 WOQURMJHOSFACK-CQSZACIVSA-N 304.349 3.202 10 10 DGCE Cc1cc(C(=O)O)c(C)n1-c1ccc(Br)c(O)c1 2321055487 IDBCZBJAXXAGHG-UHFFFAOYSA-N 310.147 3.260 10 10 DGCE CCCN1N=C(CC)C(=Cc2cc(Cl)c(O)c(OC)c2)C1=O 2332139668 GCQCXUUFMGHSDK-UHFFFAOYSA-N 322.792 3.456 10 10 DGCE Cc1cnc(CNCc2ccc(C)c(Br)c2O)o1 2327620578 FJGACRUJTBUCEC-UHFFFAOYSA-N 311.179 3.049 10 10 DGCE Cc1ccc(CNCCc2ccccn2)c(O)c1Br 2352950762 XWSZVSSRQQFJSI-UHFFFAOYSA-N 321.218 3.190 10 10 DGCE COc1ccc([C@H](C)NC(=O)c2ccc(C)c(O)c2O)cc1F 177663434 WHDUYVPCWVISFI-JTQLQIEISA-N 319.332 3.045 10 10 DGCE CC(C)(C)c1nnsc1CNCc1cc(Cl)ccc1O 2361145069 UKKWGQFFLAXUAL-UHFFFAOYSA-N 311.838 3.484 10 10 DGCE COC(=O)C[C@@H](NCc1cc(C)ccc1O)c1cccs1 71407677 UABPNNIGDSDSEB-CYBMUJFWSA-N 305.399 3.156 10 10 DGCE Nc1ccc(NC(=O)CCOc2ccc(F)cc2Cl)cc1 37902107 ZOQYEWAWWNABOR-UHFFFAOYSA-N 308.740 3.469 10 10 DGCE COC(=O)c1cnoc1COc1ccc2c(c1)c(C)c(C)n2C 421198960 LVPCXSKYOGEHDX-UHFFFAOYSA-N 314.341 3.149 10 10 DGCE CC[C@@H]1CN(c2ccc(OC)c(Br)c2)[C@H](C)CN1 88331001 YTKQVFMJHJLYCS-GHMZBOCLSA-N 313.239 3.034 10 10 DGCE COc1cc(OC)c(N2C[C@@H](C)NC[C@H]2C(C)C)cc1Cl 86155316 SVIFKKFAKFJGCW-RISCZKNCSA-N 312.841 3.180 10 10 DGCE CCOC(=O)[C@@H](CN=[N+]=[N-])Nc1ccccc1Br 91314464 WPUIQWMFLXOXOC-SNVBAGLBSA-N 313.155 3.103 10 10 DGCE CC[C@@H](N)c1c(O)cc(Br)cc1Br 95715793 RDBFXCHHNWJRMO-SSDOTTSWSA-N 309.001 3.327 10 10 DGCE Cc1ccc([C@@H](C)NCC(C)(C)C(=O)N2CCCC2)c(O)c1C 528015803 NZOHFLZPOFXHRC-OAHLLOKOSA-N 318.461 3.308 10 10 DGCE Cc1cc(C(=O)N[C@@H]2CSC2(C)C)c(C)n1-c1ccccn1 276539894 WDWLBISELCQDPG-CQSZACIVSA-N 315.442 3.113 10 10 DGCE CC(C)(C(=O)NCc1cc(Br)ccc1O)C1CC1 807736551 BELQKDMWJQMCDJ-UHFFFAOYSA-N 312.207 3.207 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCCc2n[nH]cc2C1 828013544 DFFAUGHQBAMXKI-UHFFFAOYSA-N 312.200 3.371 10 10 DGCE CN(C)c1ccc(/C=C/CNCC[C@]2(O)C[C@H]3CC[C@H]2C3)cc1 835057152 YPTUUMULYGPFHV-NOWNXGDRSA-N 314.473 3.297 10 10 DGCE COc1cccc([C@H](C)N[C@@H](CO)c2sccc2C)c1O 846155059 RXUCHGUSOZQZPY-AAEUAGOBSA-N 307.415 3.155 10 10 DGCE FC1(F)CC12CCN(Cc1ccc(N3CCOCC3)cc1)CC2 846054164 FJXKWLZGHLVTPE-UHFFFAOYSA-N 322.399 3.144 10 10 DGCE COc1cccc([C@H](C)N[C@@H](C2CC2)[C@H]2CCCCO2)c1O 848559248 QYGAIKDQVFJDFS-MJEQTWJJSA-N 305.418 3.399 10 10 DGCE C[C@H](NCC[C@H](C)[S@@](C)=O)c1cc2c(cc1O)CCCC2 756763192 VHLFSKYDFBAORW-OYMPBJRDSA-N 309.475 3.079 10 10 DGCE c1cc(N2CCOCC2)ccc1CNC[C@@H]1CCCC12CC2 858330545 BYGBFAPJYSWDIW-KRWDZBQOSA-N 300.446 3.193 10 10 DGCE CC[C@H](Cn1cncn1)NCc1cc(C)n(-c2ccccc2)c1C 858541519 BCKQKCPRMGMGTA-GOSISDBHSA-N 323.444 3.254 10 10 DGCE CCCC[C@H](C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855227625 ZLZKPOODRIPEDH-LSDHHAIUSA-N 304.434 3.216 10 10 DGCE COc1ccc2c(c1)N(C(=O)/C=C/c1ccc(C)nc1)C[C@H](C)O2 754317055 KGPJNMWSVWPVIT-MRZGDXHCSA-N 324.380 3.226 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C 1126082404 MGRSNCPIAWBDOJ-GRZALLJUSA-N 300.446 3.359 10 10 DGCE CN(Cc1ccc(N2CCOCC2)c(F)c1)C1(C)CCCC1 787337401 LGCKJPOZPDUQAW-UHFFFAOYSA-N 306.425 3.427 10 10 DGCE CC1=C[C@H](C)CN(C(=O)NCc2ccc(N(C)C)cc2C)C1 797461171 XORZYLKZUJZXNC-ZDUSSCGKSA-N 301.434 3.169 10 10 DGCE Cc1cccc(C(=O)NCc2ccc3cccnc3c2O)c1C 1142728520 WNBSHSFBYOTTFQ-UHFFFAOYSA-N 306.365 3.487 10 10 DGCE Cc1cccc(N)c1N[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1959361434 OPLOTLUTAZPGHD-ZDUSSCGKSA-N 305.422 3.389 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1CNc1ccc(N)cc1 1959363840 LNPFISJUQFHBKJ-IUODEOHRSA-N 305.422 3.374 10 10 DGCE COc1ccc(N(C)CCN(C)CCOC2CCCCC2)cc1 1171728697 AVFJISVKHDRJCZ-UHFFFAOYSA-N 320.477 3.413 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CCCS1 1349116559 BGLQGLNPGFMLPE-INIZCTEOSA-N 304.459 3.141 10 10 DGCE O=C(O)C=Cc1ccc(N2CC[C@@H](F)C2)c(Br)c1 1912124555 CHJGUZYNSYEHRY-SNVBAGLBSA-N 314.154 3.095 10 10 DGCE CCC(C)(CC)C(=O)N[C@@H](C)CNCc1ccc(OC)c(C)c1 1275451262 HYAYWABQYHJLJO-HNNXBMFYSA-N 320.477 3.424 10 10 DGCE CCC[C@H]1CCCC[C@@H]1CNC(=O)Cc1ccc(O)c(O)c1 1451454827 GWIDSQFTTLDBKW-LSDHHAIUSA-N 305.418 3.363 10 10 DGCE Cc1ccc2oc(CNC(=O)Cc3ccc(O)c(O)c3)cc2c1 1453503630 VEOXAIJCDVBEDD-UHFFFAOYSA-N 311.337 3.011 10 10 DGCE C[C@@H](C(=O)NCc1ccc2cccnc2c1O)c1ccccc1 1469248523 ITVKWXNOJJGWMK-CYBMUJFWSA-N 306.365 3.360 10 10 DGCE Cc1ccc(O)c(CNC(=O)NCc2ccc(O)c(Cl)c2)c1 1479212330 MIFHUIYVODEXKC-UHFFFAOYSA-N 320.776 3.059 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2cnccc2C(F)(F)F)c1 1470255172 RRIFRZSHMNQKDZ-UHFFFAOYSA-N 310.275 3.044 10 10 DGCE CCCC[C@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 1627464617 PCVZWPLLLMKOJS-MAUKXSAKSA-N 319.493 3.298 10 10 DGCE COC(=O)COc1ccc(N(C)Cc2ccccc2CF)cc1 1559742651 RYVSECAHTUWLLZ-UHFFFAOYSA-N 317.360 3.344 10 10 DGCE CN(Cc1ccccc1O)C(=O)NCc1ccc2cccnc2c1 1637611402 RUAHASIFEXSJBY-UHFFFAOYSA-N 321.380 3.282 10 10 DGCE CC1(C)CN(C(=O)c2cccc(O)c2O)c2cc(F)ccc21 1631910722 XHPFYDZKYRXTRI-UHFFFAOYSA-N 301.317 3.175 10 10 DGCE O=C(/C=C/c1ccnc2ccccc12)NCc1c(O)cccc1F 1646034142 ICEHRNHZBMDHAE-CMDGGOBGSA-N 322.339 3.409 10 10 DGCE COC(=O)C1(N(Cc2ccc(N(C)C)c(C)c2)C2CC2)CCC1 1643534065 DIPHGUZFNOVBMN-UHFFFAOYSA-N 316.445 3.121 10 10 DGCE Cc1noc(C2CC2)c1NC(=O)c1ccc(N=NC(N)=O)cc1 1597477168 OFNAKEVAPBARLK-UHFFFAOYSA-N 313.317 3.275 10 10 DGCE CN(Cc1ncc(Br)s1)c1ccc(CN)cc1 1940364003 RNKUWPGBRRJVGV-UHFFFAOYSA-N 312.236 3.001 10 10 DGCE CCN(CC)c1ccc(CNCC(=O)OC2CCCC2)cc1 1857872127 XKOGUVMHQMKXLA-UHFFFAOYSA-N 304.434 3.108 10 10 DGCE CN[C@H](C)c1ccc(N2CC(C)(F)C2)c(Br)c1 1944790193 MMAXZDWJWYTRGJ-SECBINFHSA-N 301.203 3.278 10 10 DGCE COc1ccc(N2CC[C@@H](CN[C@H]3CCc4cccnc43)C2)cc1 886628083 FIBNZTCHZULXNW-KXBFYZLASA-N 323.440 3.194 10 10 DGCE CN(C)c1ccc(CN[C@@]23C[C@@H]2CN(Cc2ccccc2)C3)cc1 1950089300 GBUUTMLZSFMTBV-TZIWHRDSSA-N 321.468 3.117 10 10 DGCE Cn1cc(CNCc2ccc(Cl)cc2O)c(C(F)F)n1 1964615127 PMQNDEACOBDMND-UHFFFAOYSA-N 301.724 3.007 10 10 DGCE CN(C)c1ccc([C@H](N)C2(CNC(=O)OC(C)(C)C)CC2)cc1 1977944289 DENSCASEZQUFCU-HNNXBMFYSA-N 319.449 3.057 10 10 DGCE C[C@@H]1C[C@@H](CCNCc2cccc(Br)c2O)CO1 2041470264 DFHMYZXXONHUPV-GHMZBOCLSA-N 314.223 3.059 10 10 DGCE CCO[C@@H]1CCN(c2ccc([C@@H](C)N)c(Br)c2)C1 701700390 OKMVGDNZKQQBFO-ZYHUDNBSSA-N 313.239 3.084 10 10 DGCE Oc1c(Cl)cccc1CN1CCO[C@@H](C(F)(F)F)CC1 687288328 AGGGXVVYXBEJKI-LLVKDONJSA-N 309.715 3.199 10 10 DGCE C[C@@H](N[C@H]1CC[C@@H](O)CC1)c1cc(Br)ccc1O 2062910194 WGWLEJDWPLQMPP-JLLWLGSASA-N 314.223 3.109 10 10 DGCE Cn1cnc2sc(CNCc3cc(Cl)ccc3O)cc21 2175267593 YIBRFJZFEVBLRS-UHFFFAOYSA-N 307.806 3.284 10 10 DGCE Cc1cccc(Cn2nc(C3CC3)c(N)c2C(F)(F)F)c1O 2079130927 LDUXXJJUSKHBTC-UHFFFAOYSA-N 311.307 3.424 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1cc2n(n1)CCCC2 1157041764 MPXYWLRCOTWHJJ-UHFFFAOYSA-N 321.380 3.008 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@H]1C[C@@H](c2ncc[nH]2)C1 2181583698 VBFGUDQQJOHNJT-DKTWLAJQSA-N 312.200 3.458 10 10 DGCE COC[C@@](C)(CN(C)[C@H](C)c1cc(Cl)ccc1O)OC 2198149522 CTUXXHKPWODXJK-IAQYHMDHSA-N 301.814 3.090 10 10 DGCE CCN[C@H](C)c1ccc(N2CCOC[C@H]2CF)cc1Cl 2182605687 OJOODNYZASFSTB-DGCLKSJQSA-N 300.805 3.185 10 10 DGCE CCNCc1ccc(N2C[C@H](OC)C[C@H]2CF)cc1Cl 2190232537 MYDABHUNLBAJSY-UONOGXRCSA-N 300.805 3.013 10 10 DGCE CN(Cc1cc(F)cc(F)c1O)C[C@](C)(F)C(F)(F)F 2191874172 NQYRWEVHRSBZEH-NSHDSACASA-N 301.230 3.393 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2CC/C=C/Br 2051113458 VZXVQQRPLIXXTK-XVNBXDOJSA-N 311.223 3.250 10 10 DGCE CCNCc1ccc(N2C[C@H]3C[C@H]2[C@H]2C[C@@H]32)cc1Br 2103270782 KNLDOWJCFYCFAQ-DSRCVFDASA-N 321.262 3.403 10 10 DGCE Oc1c(Cl)cccc1CN1CCC[C@@H](OCC(F)F)C1 2279282797 GMAQSSQIFVGYEO-LLVKDONJSA-N 305.752 3.292 10 10 DGCE O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccco1 2297320954 UZFMEXMZCWIBAZ-UHFFFAOYSA-N 323.135 3.048 10 10 DGCE Cc1cc(C)cc(C=CC(=O)NCCc2ccc(O)c(O)c2)c1 2306917386 CBANLVXIDUHMAG-UHFFFAOYSA-N 311.381 3.087 10 10 DGCE O=C1C(=Cc2ccc[nH]2)SC(=S)N1c1ccccc1O 2321664305 XSINCMDJQULODC-UHFFFAOYSA-N 302.380 3.126 10 10 DGCE CC1=NN(Cc2ccccc2)C(=O)C1=Cc1ccc([N+](=O)[O-])cc1 2332148381 QCNYMTMKTQZXBC-UHFFFAOYSA-N 321.336 3.397 10 10 DGCE Cc1ncc(NCc2ccc(C)c(Br)c2O)cn1 2327631674 RQXHGCJVSXLNCU-UHFFFAOYSA-N 308.179 3.174 10 10 DGCE CO[C@H]1C[C@@H]2C[C@H]1CN2Cc1cc(Cl)cc(Cl)c1O 2340770193 BZBVNXXBMQDWHW-QWRKXWFKSA-N 302.201 3.308 10 10 DGCE Cc1ccc(CN(C)C(=O)[C@]23CC[C@@H]2C3)c(O)c1Br 2352667520 YDCIQDHDELWDDV-ABAIWWIYSA-N 324.218 3.222 10 10 DGCE COc1ccc(N2CCN(C(=O)Oc3ccccc3)CC2)cc1 6389035 SNUBYUNORWJBFL-UHFFFAOYSA-N 312.369 3.016 10 10 DGCE CCCN(c1ccc(N)cc1)S(=O)(=O)c1ccccc1F 63115501 HZNGQWBXJXPYAA-UHFFFAOYSA-N 308.378 3.013 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)Nc1nccc2sccc12 128948073 OTOIKICENYZROG-DUXPYHPUSA-N 312.350 3.359 10 10 DGCE CN(C)c1ccc(CNC(=O)N[C@H]2C[C@H]2c2ccccc2)cc1 127152545 TZFDVQWMLQOJIG-ROUUACIJSA-N 309.413 3.108 10 10 DGCE CCSC[C@@H](C)NCc1cccc(Br)c1O 127515135 NNPRWKSDEORUFK-SECBINFHSA-N 304.253 3.386 10 10 DGCE C[C@@H]1CN(c2ccc(CN)cc2Br)C[C@@H](C)S1 212859093 JZMLOSABLXYDTH-NXEZZACHSA-N 315.280 3.238 10 10 DGCE COc1ccc(O)c(CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 89725983 ALLKHQYUEMPIBS-LBPRGKRZSA-N 316.357 3.468 10 10 DGCE O=C(O)c1cc(Sc2nccs2)ncc1Br 380753379 UPGGEQXSMWRROT-UHFFFAOYSA-N 317.189 3.150 10 10 DGCE Cc1ccc([C@@H](C)NC[C@H]2c3ccccc3C(=O)N2C)c(O)c1 528003722 LUXQMFUNGGERFL-DYVFJYSZSA-N 310.397 3.178 10 10 DGCE Oc1c(Br)cccc1CN1CC(Cc2ccco2)C1 529648966 LXUSAZWNXSJFAV-UHFFFAOYSA-N 322.202 3.422 10 10 DGCE CC(C)(C)/C=C/C(=O)NCc1cc(Br)ccc1O 804737477 JDCLKFNVVGBQPU-VOTSOKGWSA-N 312.207 3.373 10 10 DGCE Cc1cc(-c2nnc(N(C)Cc3ccccc3O)n2C)c(C)o1 809867017 DBSMHTOOOPMBSM-UHFFFAOYSA-N 312.373 3.034 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)C[C@H](O)CC(C)(C)C 292156773 MWLDZVOHWAVTGF-HNNXBMFYSA-N 307.434 3.318 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@H](O)CC[C@H]2C)cc1 817645716 CLCOQPXMWSMBHV-FZKQIMNGSA-N 312.413 3.080 10 10 DGCE CC1CCN(c2ccc(CNC(=O)N[C@H]3CC34CC4)cc2)CC1 823001699 OTUWXMQRNZWNJU-KRWDZBQOSA-N 313.445 3.275 10 10 DGCE CCN(CC)c1ccc(CN2C[C@H](C)C(O)[C@@H](C)C2)cc1F 827151572 FYRMKHZBCHKSTQ-KBPBESRZSA-N 308.441 3.121 10 10 DGCE CC[C@H](CN[C@@H](C)c1cccc(OC)c1O)C(=O)OC(C)(C)C 903352246 CCVJWUASWAGISG-QWHCGFSZSA-N 323.433 3.419 10 10 DGCE CN(C)c1ccc(/C=C/CNCCCC(=O)OC(C)(C)C)cc1 835042091 GPWNZEZLPITBPB-SOFGYWHQSA-N 318.461 3.477 10 10 DGCE CCCOc1ccc(CN[C@@H]2C[C@H]3C[C@@]3(C(=O)O)C2)cc1C 901957391 NJYIWUCTARVRPJ-HDMKZQKVSA-N 303.402 3.127 10 10 DGCE CCN1C[C@H](C)N(C/C=C\c2ccc(N(C)C)cc2)C[C@@H]1C 835025883 MLCWPEIXNLHALQ-IIAQQRLMSA-N 301.478 3.180 10 10 DGCE CC[C@@H](CNC/C=C\c1ccc(N(C)C)cc1)N1CCCC1 835035934 LQGOQYRKMCJNLK-ZEVQVBBLSA-N 301.478 3.230 10 10 DGCE COc1ccc(CNC(=O)NC2CC(C(C)(C)C)C2)c(O)c1 836479046 BNYLFPLRVMJGRQ-UHFFFAOYSA-N 306.406 3.025 10 10 DGCE CC(=O)C[C@H](C)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C 830872870 FZIMAVCDJUDRLM-ZDUSSCGKSA-N 312.413 3.120 10 10 DGCE CCN(CC)c1ccc(CNC(=O)C2(C(F)F)CC2)cc1F 843794307 IYNZAXDQCOJOPZ-UHFFFAOYSA-N 314.351 3.333 10 10 DGCE COc1cccc([C@H](C)NCC[C@@H](OC)C(F)(F)F)c1O 846162402 ARMQSIMHSZUJMF-JOYOIKCWSA-N 307.312 3.019 10 10 DGCE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H]1c1cccc(N)c1O 1953067998 PLYFWNNVIUNFOR-LBPRGKRZSA-N 314.332 3.292 10 10 DGCE C[C@@H](NC[C@@H]1CCC2(CCCC2)O1)c1cc([N+](=O)[O-])ccc1O 848570264 JSWJMTUUYVJOOT-OCCSQVGLSA-N 320.389 3.443 10 10 DGCE O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cccc(Cl)c1O 840997717 GPORQYNXXOOKGM-HONMWMINSA-N 309.793 3.263 10 10 DGCE FC(F)(F)[C@H]1CC[C@H](CCNCc2ccc3c(c2)CCO3)O1 922679832 RMSJWUKIORINBT-UKRRQHHQSA-N 315.335 3.211 10 10 DGCE COc1ccc2c(c1)CC[C@H]2C(=O)NCc1cc(C)ccc1O 862753025 AAQNLTQUMIHROH-QGZVFWFLSA-N 311.381 3.055 10 10 DGCE CCOC(=O)CCC1CCN(Cc2cc(C)ccc2O)CC1 769528689 XGVCVLHQSVIFFO-UHFFFAOYSA-N 305.418 3.256 10 10 DGCE NCc1ccc(N2CC(OCc3ccccc3)C2)c(Cl)c1 1955633022 ZHZZPCFVTUBFGA-UHFFFAOYSA-N 302.805 3.204 10 10 DGCE CC(=O)c1cc(Cl)cc(CN[C@@H](C)c2nccnc2C)c1O 880105373 BOJMKBPMQLQAFD-JTQLQIEISA-N 319.792 3.197 10 10 DGCE Oc1cc2c(cc1CN1CC[C@]3(CCCOC3)C1)CCCC2 789543667 WIUVSHGPIKDWMN-LJQANCHMSA-N 301.430 3.274 10 10 DGCE N[C@@H](c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(F)(F)F 72196006 BQBVXWFRWBCFSA-LBPRGKRZSA-N 303.284 3.147 10 10 DGCE COc1cc(C)cc(CN2CCC3(CCN(C)CC3)CC2)c1O 895439614 DSKYYWAAWHDKGS-UHFFFAOYSA-N 318.461 3.017 10 10 DGCE COc1ccc(CNC(=O)/C=C/c2ccccc2Cl)c(O)c1 794389430 NTYXCYGEQUZJHV-VQHVLOKHSA-N 317.772 3.384 10 10 DGCE CCOC(=O)CN(Cc1ccccc1O)CC1CC(C)(C)C1 1195359752 YHSDHXSEBYLYSH-UHFFFAOYSA-N 305.418 3.194 10 10 DGCE C[C@H](OCc1ccccc1)C(=O)N1CCC(CN=[N+]=[N-])CC1 1912173717 PVDSMWQJLMWYJW-ZDUSSCGKSA-N 302.378 3.141 10 10 DGCE C[C@@H](NCC=CCNC(=O)OC(C)(C)C)c1ccccc1O 1911669580 IQUUZLXGLASLEU-CYBMUJFWSA-N 306.406 3.124 10 10 DGCE CCCn1c(C(=O)NCc2c(O)cccc2O)cc2ccccc21 1456234156 HWJMBAADNFWUNH-UHFFFAOYSA-N 324.380 3.393 10 10 DGCE Cc1cc(C(=O)N[C@H](C)c2ccccc2O)c2c(C)noc2n1 1471195147 DKHJVMKJKBMJGV-SNVBAGLBSA-N 311.341 3.036 10 10 DGCE Cc1nnc(N(C)Cc2ccccc2O)n1CC1(C)CCC1 1707861435 IPWKYMAWGCYJFK-UHFFFAOYSA-N 300.406 3.119 10 10 DGCE COc1ccccc1/C(C)=C/C(=O)NCc1c(O)cccc1F 1638864359 XTXWHBQFDRICBQ-ZRDIBKRKSA-N 315.344 3.260 10 10 DGCE C=CC(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccccc2O)cc1 1642830814 JMCYEXKZAAZNRT-LBPRGKRZSA-N 310.353 3.008 10 10 DGCE CC[C@H](CCNC(=O)OC(C)(C)C)NCc1ccccc1O 1928443787 JDXSRHRTDOVOBJ-CQSZACIVSA-N 308.422 3.175 10 10 DGCE COC(=O)/C=C/c1ccc(N2CC(C)(C)C[C@@H]2C)c([N+](=O)[O-])c1 1651150984 DPCMPZNMLLEZBO-WMADIVHISA-N 318.373 3.406 10 10 DGCE COc1cc(Cl)cc(CN[C@H]2CCC[C@@H]2SC)c1O 230934921 BOIBWAMEMISNRA-AAEUAGOBSA-N 301.839 3.428 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)NCCCCC1CC1 1683418578 VXRRGUALTJVHOL-UHFFFAOYSA-N 303.450 3.474 10 10 DGCE CCN(CCc1nccs1)Cc1cc(OC)c(C)cc1O 160484354 DKDLAEMQIJARNC-UHFFFAOYSA-N 306.431 3.230 10 10 DGCE CCOc1ccc(O)c(CN[C@](C)(COC)c2ccccc2)c1 154681387 CZXUFKLWLZWHGI-LJQANCHMSA-N 315.413 3.442 10 10 DGCE CC1=NN(Cc2ccccc2F)C(=O)/C1=C/c1cccc(O)c1 1865649986 PAXBBJFMOGROMA-MHWRWJLKSA-N 310.328 3.333 10 10 DGCE CON(CCCC(=O)Nc1ccc(N)cc1)Cc1ccccc1 1937155893 WJTDFKDIOREHHC-UHFFFAOYSA-N 313.401 3.051 10 10 DGCE CN(Cc1ccccc1O)Cc1cccnc1Br 1137800479 LNOJIQDVQUBKSJ-UHFFFAOYSA-N 307.191 3.182 10 10 DGCE CN(C)c1ccc(CN[C@]23C[C@H]2CN(Cc2ccccc2)C3)cc1 1950087160 GBUUTMLZSFMTBV-FPOVZHCZSA-N 321.468 3.117 10 10 DGCE CP(C)(=O)CCCNCc1cccc(Br)c1O 1969956904 DATKRMZCPFTYQI-UHFFFAOYSA-N 320.167 3.257 10 10 DGCE Cc1cccc(N)c1N[C@@H]1C[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 1977658850 GSRGEVUBLQTLIU-NWANDNLSSA-N 317.433 3.387 10 10 DGCE CN(C)c1ccc([C@]2(O)CCC[C@H]2NC(=O)OC(C)(C)C)cc1 1977959500 SBNHVMABBFLFQJ-CRAIPNDOSA-N 320.433 3.017 10 10 DGCE CC[C@](C)(CN)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 1990494548 KUAWBBCURVQNPC-GOSISDBHSA-N 321.465 3.275 10 10 DGCE CN[C@H](C)c1ccc(N2CC(CF)C2)c(Br)c1 1996946008 DSFKTYCITAJOSK-SECBINFHSA-N 301.203 3.135 10 10 DGCE NCc1ccc(N2CCC[C@H]3CC[C@@H]32)c(F)c1Br 2034340355 XFYLNOPVJMDICM-ONGXEEELSA-N 313.214 3.426 10 10 DGCE CCO[C@H]1CCN(c2ccc([C@@H](C)O)cc2Br)C1 701706758 KKTKZWWFGOMBNO-PWSUYJOCSA-N 314.223 3.118 10 10 DGCE C[C@]12CN(Cc3ccccc3)C[C@@H]1CN(Cc1ccc(N)cc1)C2 702079476 BDJMNSCQEQRETF-TZIWHRDSSA-N 321.468 3.223 10 10 DGCE Oc1cccc(Br)c1CN1CCC(CF)CC1 707155459 QQEAPISBENTGKI-UHFFFAOYSA-N 302.187 3.336 10 10 DGCE C[C@@H](N)c1ccc(N2CCO[C@H](C)[C@H]2C)cc1Br 380487187 ADLGHSYRYLDCPS-GMTAPVOTSA-N 313.239 3.082 10 10 DGCE CN(CCC1CCOCC1)c1cc(Cl)c(CN)cc1F 2177381860 RYFJFXHETZEWNB-UHFFFAOYSA-N 300.805 3.191 10 10 DGCE Cc1cc(O)c([C@H](C)n2nc(C(F)F)c(C=O)c2N)cc1C 2080048157 OJWJDDFCDKTWJX-VIFPVBQESA-N 309.316 3.147 10 10 DGCE CN(CC(C(F)(F)F)C(F)(F)F)c1ccc(CO)cc1 2183947920 MHZKWFGZABOUER-UHFFFAOYSA-N 301.230 3.356 10 10 DGCE CNCc1ccc(N(C)C[C@@H]2CC23CC3)c(Br)c1 2047207605 WUWYUAGUIBMQEX-LBPRGKRZSA-N 309.251 3.405 10 10 DGCE C[C@@H](O)c1cc(F)c(N2CC[C@@H](P(C)(C)=O)C2)c(F)c1 2194511372 MRZHJPMZOSJZOM-MWLCHTKSSA-N 303.289 3.220 10 10 DGCE COc1cc(Cl)cc(CN[C@H](C)[C@H]2CCSC2)c1O 2089896795 FEEGVYPVPUGBPL-ZJUUUORDSA-N 301.839 3.285 10 10 DGCE Cc1cc([C@@H](O)[C@H](N)c2ccccc2O)ccc1Br 2091868641 UAHVTZPFZGFBNX-HUUCEWRRSA-N 322.202 3.197 10 10 DGCE F[C@@H]1CN(c2ccc(CNC3CCC3)cc2Cl)C[C@H]1F 2239998174 CQKJZNGSYCYLSN-ZIAGYGMSSA-N 300.780 3.478 10 10 DGCE CCOC(=O)N1CCN(N=Nc2ccccc2OC(C)C)CC1 2330221373 KLENNKYYVUAPSP-UHFFFAOYSA-N 320.393 3.247 10 10 DGCE COCC[C@H](C)N(C)Cc1ccc(C)c(Br)c1O 2327601667 BLKWJMKEDSPKIH-NSHDSACASA-N 316.239 3.320 10 10 DGCE COC(C)(C)CCNCc1ccc(C)c(Br)c1O 2327630046 QNCLWMYZUZIKMN-UHFFFAOYSA-N 316.239 3.368 10 10 DGCE CCC[C@@](C)(O)CNCc1ccc(C)c(Br)c1O 2327623899 MGYYKHLSVMTGKL-CQSZACIVSA-N 316.239 3.104 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@H]2CC(O)C3)cc1 118711123 XFINDPIRHAGYTM-ROUUACIJSA-N 324.424 3.222 10 10 DGCE CN[C@H](C)c1ccc(N(C)Cc2snnc2C)c(Cl)c1 2361124255 HWBFNFLMTCWPNR-SECBINFHSA-N 310.854 3.417 10 10 DGCE COc1ccc(CN(C)CCOc2ccc(C)cc2)c(O)c1 121509202 VADQTTKSSUBBJO-UHFFFAOYSA-N 301.386 3.220 10 10 DGCE COc1ccc(N2CCCN(c3ccnc(C4CC4)n3)CC2)cc1 301228275 GDYAECOQHXHAJC-UHFFFAOYSA-N 324.428 3.079 10 10 DGCE O=C(O)/C=C\c1cccc(OCCSc2nccs2)c1 217884502 RHBURBQPVCQWCX-PLNGDYQASA-N 307.396 3.412 10 10 DGCE CCCN[C@@H]1C(=O)Nc2cc(N(C)CC(F)F)c(Cl)cc21 136851355 CCSMNCIUPOPRTD-ZDUSSCGKSA-N 317.767 3.034 10 10 DGCE COc1ccc(N(C)C[C@H](C(N)=S)c2ccccc2)cc1 80820353 UYVWNRFRQSUMRM-INIZCTEOSA-N 300.427 3.201 10 10 DGCE CCOC(=O)[C@@](C)(NCCN=[N+]=[N-])c1ccc(F)c(Cl)c1 90257294 XTLVYADNFDOFRD-ZDUSSCGKSA-N 314.748 3.157 10 10 DGCE COc1ccc(O)c(CN[C@H](C)c2cc(OC)ccc2OC)c1 237206169 JGEAMTWFVLEOJG-GFCCVEGCSA-N 317.385 3.269 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1CCNC12CCC2 530179091 SXBCKQVIAZXPAD-GFCCVEGCSA-N 301.217 3.073 10 10 DGCE CN1CCC(C)(CNCc2cc(Cl)c(F)cc2O)CC1 293535193 FITYQUOOGGGFFH-UHFFFAOYSA-N 300.805 3.006 10 10 DGCE CN1CCCc2cc([C@H](NN)c3sccc3Cl)ccc21 2163151811 MPQOPGZHKAAROR-AWEZNQCLSA-N 307.850 3.337 10 10 DGCE COc1ccc(-n2c(C)cc(C(=O)N[C@@H](C)CF)c2C)cc1 817126625 BLCMRFMVERZPTE-NSHDSACASA-N 304.365 3.191 10 10 DGCE CCO[C@@H]1CCC[C@@H](N[C@H]2CCN(c3ccc(OC)cc3)C2)C1 903047982 VGLKTBFORCFLLY-JTDSTZFVSA-N 318.461 3.211 10 10 DGCE Cc1cc(O)c(CNCCCc2c(C)nn(C)c2C)c(Cl)c1 840908896 YWMQOUFQQVPTFB-UHFFFAOYSA-N 321.852 3.427 10 10 DGCE Cc1cc(O)c(CNc2ccc([C@H]3CNCCO3)cc2)cc1C 849352536 NVWKJFQJNIRPAB-LJQANCHMSA-N 312.413 3.282 10 10 DGCE CN(C[C@@H]1CCc2ccccc21)C(=O)NCCc1ccc(N)cc1 851664518 DDWSEHRYNYNLJV-KRWDZBQOSA-N 323.440 3.183 10 10 DGCE CC[C@@H](NCc1nn(C)cc1C(F)F)c1ccc(F)cc1O 866567147 JUAUYDSQPPRVTJ-GFCCVEGCSA-N 313.323 3.443 10 10 DGCE CCN1CCN(C(=O)/C=C\c2cncc(C)c2)c2ccccc21 1116325838 JNBUYBMJUNKNPH-HJWRWDBZSA-N 307.397 3.276 10 10 DGCE COc1cc2c(cc1F)CN(Cc1cc(F)ccc1O)CC2 779118332 YMCDLKNPYIONHE-UHFFFAOYSA-N 305.324 3.237 10 10 DGCE COc1ccc(N2CC[C@@H](CNC3CCCC3)C2)c(OC)c1 76375960 AGHJNBPEMZQAHF-AWEZNQCLSA-N 304.434 3.062 10 10 DGCE COc1cc(C)cc(CNC2CCC(C)(N(C)C)CC2)c1O 895454891 PHIAGMFLLNCEHW-UHFFFAOYSA-N 306.450 3.062 10 10 DGCE CCC/C=C/[C@H](O)C(=O)N(C)Cc1ccc(N(CC)CC)cc1 1135732846 ISSLNFRYGXYAPS-BBVFFXRHSA-N 318.461 3.208 10 10 DGCE CCc1ccccc1CNC(=O)c1ccc(N=NC(N)=O)cc1 1136899610 GZKCWNJAQGAHPN-UHFFFAOYSA-N 310.357 3.341 10 10 DGCE COc1cc(C)cc(CNCC(C)(C)[C@@H]2CCCCO2)c1O 894331311 FFXGEKHGCNMWNK-INIZCTEOSA-N 307.434 3.394 10 10 DGCE CCc1cccc(CN[C@H](C)CN(C)C(=O)OC(C)(C)C)c1O 701914909 IDEGLMDXTBGRIU-CYBMUJFWSA-N 322.449 3.300 10 10 DGCE COc1ccc(N(C)CCN2CCc3ccccc32)cc1OC 794290730 OVXKNMOFUNRTQW-UHFFFAOYSA-N 312.413 3.203 10 10 DGCE COc1ccc(CNCC[C@@H](C)NC(=O)CC(C)C)cc1C 1320333220 OQQAQNBKTHWKSX-OAHLLOKOSA-N 306.450 3.034 10 10 DGCE O=C(/C=C/c1cccnc1)N1CCCc2c(F)c(F)cc(F)c21 1436678388 DZMUKSQIQHHTEF-AATRIKPKSA-N 318.298 3.492 10 10 DGCE CCC1CN(c2ccc(C=CC(=O)O)c(Br)c2)C1 1911916730 WKPMUUDYCXESKZ-UHFFFAOYSA-N 310.191 3.393 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)c2cccn2Cc2ccccc2)C1 1912161310 HXOHZZXLZUROFL-HNNXBMFYSA-N 309.373 3.309 10 10 DGCE Cc1cccc(Br)c1C(=O)N1CC[C@H](N=[N+]=[N-])C1 1912196895 NGXMRHQKRCNOJT-VIFPVBQESA-N 309.167 3.282 10 10 DGCE Cc1ncc(/C=C/C(=O)N2CCOc3c(F)ccc(F)c32)s1 1531417586 YQJXZXPKYXMZQO-GORDUTHDSA-N 322.336 3.169 10 10 DGCE COc1ccccc1/C(C)=C\C(=O)NCc1c(O)cccc1F 1638864358 XTXWHBQFDRICBQ-BENRWUELSA-N 315.344 3.260 10 10 DGCE CN(Cc1cccc2ccccc12)C(=O)Cc1ccc(O)c(O)c1 1630385737 BKJAMAXXQJOHMW-UHFFFAOYSA-N 321.376 3.452 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@@]23CCC[C@@H]2C3)cc1F 1565687950 DGVHQLUSRCUJAU-RDTXWAMCSA-N 304.409 3.478 10 10 DGCE Cc1c(NC(=O)/C=C\c2ccc(O)c(O)c2)ccc(F)c1F 1637856008 NYGRBWRCQXFQSR-CLTKARDFSA-N 305.280 3.336 10 10 DGCE CCN[C@@H](C[C@@H](C)NC(=O)OC(C)(C)C)c1ccccc1O 1928469806 LWLUCWMJTTVEAC-OCCSQVGLSA-N 308.422 3.346 10 10 DGCE O=C(NCc1ccc(O)cc1O)c1c(Cl)cccc1Cl 1643104417 XVQAXKMXSHKHCJ-UHFFFAOYSA-N 312.152 3.335 10 10 DGCE Cc1ccc(C(=O)NCCC2CCC(F)(F)CC2)c(O)c1O 1653532434 DXGPDXDMZDWAHJ-UHFFFAOYSA-N 313.344 3.352 10 10 DGCE C[C@@H](NC(=O)CCOc1cccc(F)c1)c1ccccc1O 1587445262 YEFACODHNVZQHN-GFCCVEGCSA-N 303.333 3.178 10 10 DGCE CCNCc1ccc(N(CC)CCOC)cc1C(F)(F)F 167369596 DZPQCEZWUGATCL-UHFFFAOYSA-N 304.356 3.288 10 10 DGCE O=C(O)/C=C\c1c(F)c(F)c(N2CCCCC2)c(F)c1F 2828079 DNAZUSLDQICJBN-PLNGDYQASA-N 303.255 3.331 10 10 DGCE Cc1ccc(CN=NNc2ccc3c(c2)OCC(=O)N3C)cc1 1860494167 STTCLIPLAZRZHS-UHFFFAOYSA-N 310.357 3.330 10 10 DGCE CCOc1cccc(CNCCC(=O)OC2CCCCC2)c1O 1857869496 HNKDYAPFNYFGEY-UHFFFAOYSA-N 321.417 3.147 10 10 DGCE CCCN[C@](CO)(CSc1nccs1)C[C@@H](C)CC 2142625805 AXOCUAOROACLMD-GXTWGEPZSA-N 302.509 3.402 10 10 DGCE CCC1(F)CN(c2ccc(CNC)c(Br)c2)C1 1944798141 XVWLWOVFJDNIKZ-UHFFFAOYSA-N 301.203 3.107 10 10 DGCE Cc1ccc([C@@H](C)N[C@H]2CCCC3(CC2)OCCO3)c(O)c1 1967523692 ONEYUVPWSNYRIB-CABCVRRESA-N 305.418 3.427 10 10 DGCE Oc1c(Br)cccc1CN[C@@H]1CC[C@@H]2[C@@H]1C2(F)F 1967820419 RRQITAPJMLZBTO-IEBDPFPHSA-N 318.161 3.288 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H]([C@H](N)c2ccccc2O)C1(C)C 1976579154 NODHXOUVJNZNRY-UKRRQHHQSA-N 320.433 3.428 10 10 DGCE CN[C@@H](CC[C@@H]1CCN1C(=O)OC(C)(C)C)c1ccccc1O 1979167519 FSOYLWZGIBIMJE-HIFRSBDPSA-N 320.433 3.442 10 10 DGCE CCN(c1ccc(CO)c(Br)c1)[C@@H]1CCSC1 2003839481 CKUYZIBVWKYKBA-GFCCVEGCSA-N 316.264 3.273 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(S(=O)(=O)CC2CCCCC2)CC1 2155552946 RFHQVCQJPIDKIO-ZDUSSCGKSA-N 300.428 3.061 10 10 DGCE CNCc1ccc(N(C)CC2(F)CC2)c(Br)c1 2025732510 VDJHSHHSQPUNDI-UHFFFAOYSA-N 301.203 3.107 10 10 DGCE C[C@H]1CCO[C@H]1CN(C)Cc1c(O)cccc1Br 2034984654 LIYDQHAIPYNILG-HZMBPMFUSA-N 314.223 3.012 10 10 DGCE CCN(C)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2 310006021 VLLZQUIJSVYIQU-UHFFFAOYSA-N 305.422 3.018 10 10 DGCE Cc1cc(CNCc2ccc(Br)cc2O)sn1 691427197 NIJQLFVYJCIPFT-UHFFFAOYSA-N 313.220 3.209 10 10 DGCE CN(CC1CC(F)(F)C1)c1ccc(CN)c(Br)c1 394741262 REMCPODEIITFFE-UHFFFAOYSA-N 319.193 3.389 10 10 DGCE C[C@H](N)c1ccc(N2CCCOC[C@@H]2C)c(Br)c1 398890559 MOUAZKFPIVTAPM-QWRGUYRKSA-N 313.239 3.084 10 10 DGCE C[C@@H]1CCN(Cc2cc(Br)ccc2O)C[C@@H]1F 779148224 GYBCNLOWEXVILV-SKDRFNHKSA-N 302.187 3.335 10 10 DGCE Cc1ccc([C@H](n2nc(C3CC3)c(N)c2N)C2(C)CC2)c(O)c1 2079004253 OEYYUKYLOKNAHZ-INIZCTEOSA-N 312.417 3.328 10 10 DGCE C[C@H]1CCOCC[C@@H]1NCc1c(O)cccc1Br 2046725554 KZBGEUJFPUYFMX-GWCFXTLKSA-N 314.223 3.059 10 10 DGCE CC[C@H](N)CN(C)[C@H](CC)c1cc(Br)ccc1O 2053082577 FVHPXZHYEDYKMF-WCQYABFASA-N 315.255 3.275 10 10 DGCE C[C@H](CS(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1)C1CC1 2087902397 BLSYGIOXDHAFJJ-SSDOTTSWSA-N 324.229 3.487 10 10 DGCE OC[C@@](CSc1nccs1)(NC1CC1)C1CCCCC1 2208121294 DEJSCGSVOVSVSU-HNNXBMFYSA-N 312.504 3.299 10 10 DGCE CSc1ncc(CNC(=O)c2cccc3cc[nH]c23)s1 2284713172 PGISEIYSQDVDIH-UHFFFAOYSA-N 303.412 3.276 10 10 DGCE COc1cc(OC)c(N(C)[C@H](CO)C(C)(C)C)cc1Cl 2285920015 OOIRQWSUUMHVIL-CQSZACIVSA-N 301.814 3.200 10 10 DGCE CCCC1=NN2C(=N)C(=Cc3ccc(C)cc3)C(=O)N=C2S1 2297499394 AFNCQWOUIZFADU-UHFFFAOYSA-N 312.398 3.414 10 10 DGCE CC1=NN(c2ccc(C)cc2)C(=O)C1=CN(C)c1ccc(O)cc1 2297511457 MENRRTDKNRWGMP-UHFFFAOYSA-N 321.380 3.443 10 10 DGCE CC(C)(CNC(=O)C=Cc1ccc(O)c(O)c1)c1ccccc1 2307986262 JKSDBQLPTQDXRI-UHFFFAOYSA-N 311.381 3.205 10 10 DGCE CC[C@H]([C@@H](C)N)N(C)Cc1ccc(C)c(Br)c1O 2327610439 UXWNTCBXQFKACF-ZYHUDNBSSA-N 315.255 3.021 10 10 DGCE C[C@H]1C[C@@H]1CN(C)c1cc(Br)c(CN)cc1F 310331307 YSYLMAOZOCGVIF-WCBMZHEXSA-N 301.203 3.139 10 10 DGCE CN(Cc1snnc1C1CC1)c1ccc(CN)cc1Cl 2361104793 ULGBAIAGABTZPV-UHFFFAOYSA-N 308.838 3.164 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@H](C)c2cccnc2)cc1 174046382 ADZHROFCQIFXHH-OAHLLOKOSA-N 311.429 3.348 10 10 DGCE CNCc1cc(F)c(N(C)C[C@H]2C[C@@H](SC)C2)c(F)c1 2360917249 LOZWBXXHACUNGB-TXEJJXNPSA-N 300.418 3.262 10 10 DGCE CCN[C@@H]1CCN(c2cc(Cl)c(OC)cc2OC)[C@@H](C)C1 219818102 FTVKSLBYQUMOLE-NWDGAFQWSA-N 312.841 3.324 10 10 DGCE COc1ccc(O)c([C@@H](C)NCCCc2c(C)nn(C)c2C)c1 186227728 XUOAHXYZYBYCHK-GFCCVEGCSA-N 317.433 3.035 10 10 DGCE CCc1cc(C)c(C(=O)N(C)Cc2ccc(N(C)C)cc2)o1 132346116 POVSISJLRCLMHV-UHFFFAOYSA-N 300.402 3.489 10 10 DGCE C[C@@H](OC(=O)/C=C\c1ccc(N2CCOCC2)cc1)C1CCC1 255631575 PQIPCDSFFZBNDY-YYRKOSNBSA-N 315.413 3.268 10 10 DGCE CC(C)(C)OC(=O)N1CCN(c2ccc(OC3CC3)cc2)CC1 382676293 SETBKSMVCGXODH-UHFFFAOYSA-N 318.417 3.285 10 10 DGCE C[C@H](O)c1ccc(N(C)Cc2cc(Cl)n(C)n2)cc1Cl 2166505886 FUPYYIOUEQHRDT-VIFPVBQESA-N 314.216 3.417 10 10 DGCE COc1cccc2c1[C@H](C(=O)NCc1ccc(N(C)C)cc1)CC2 814254717 FJXWFXFHUKCHIR-QGZVFWFLSA-N 324.424 3.107 10 10 DGCE C[C@H](NC(=O)[C@@H]1CCC1(C)C)c1ccc(N2CCOCC2)cc1 823835346 XRYVEXDHYIICTC-YOEHRIQHSA-N 316.445 3.137 10 10 DGCE Cc1cc(CC(=O)N(C)Cc2cn[nH]c2)c(C)n1-c1ccccc1 827762751 SGCLRTRZCMZOFI-UHFFFAOYSA-N 322.412 3.018 10 10 DGCE Cc1cc(O)c([C@@H]2CCNCCN2C(=O)OC(C)(C)C)cc1C 1952991112 COMSIBPTJGLANT-HNNXBMFYSA-N 320.433 3.281 10 10 DGCE COc1cccc([C@H](C)N[C@@H](C2CC2)[C@@H]2CCCCO2)c1O 848559250 QYGAIKDQVFJDFS-NUTKFTJISA-N 305.418 3.399 10 10 DGCE C[C@@H](NC1([C@H]2CCCCO2)CC1)c1cc([N+](=O)[O-])ccc1O 927161167 PGLJVIFFPPSKFU-IAQYHMDHSA-N 306.362 3.053 10 10 DGCE C[C@@H](N[C@H]1C[C@@](CN)(c2ccccc2)C1)c1ccc(F)cc1O 925885951 BXSSCASTWLEXLZ-NRXGSXMXSA-N 314.404 3.241 10 10 DGCE COC[C@H](N[C@@H](C)c1ccc(Cl)cc1O)C1CCOCC1 850493363 GKIHZMSKHAWZAZ-NHYWBVRUSA-N 313.825 3.138 10 10 DGCE C[C@@H](N[C@@H]1CCN(C2CCC2)C1=O)c1ccc2ccccc2c1O 858602986 ONUMZUWYTAJVIW-FZKQIMNGSA-N 324.424 3.349 10 10 DGCE COc1ccc(N2CCCN(C[C@@H](OC)C3CCC3)CC2)cc1 851732713 BCTJZNBBAQXLPP-LJQANCHMSA-N 318.461 3.022 10 10 DGCE C[C@@H]1CN(Cc2c(O)cccc2Br)[C@H](C)[C@@H](C)O1 862337549 WYVPKAQWTFZCIK-GMTAPVOTSA-N 314.223 3.152 10 10 DGCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC(C3CC3)C2)c1 861787285 GTCQHWGTBJSEDO-UHFFFAOYSA-N 322.408 3.389 10 10 DGCE CCOc1ccc(O)c(CN(CC)CCc2ccccn2)c1 769034094 ATYAEZFFMJAATC-UHFFFAOYSA-N 300.402 3.251 10 10 DGCE CCOc1ccc(CN(CCOC)[C@H]2C[C@H]3CC[C@H]2C3)c(O)c1 775207685 WNTKZQFUQRXDHC-MPGHIAIKSA-N 319.445 3.428 10 10 DGCE O=C(Nc1ccccc1CC(F)(F)F)c1cccc(O)c1O 1136833089 CFXRSMPLLZPHQN-UHFFFAOYSA-N 311.259 3.455 10 10 DGCE CC[C@@H]1OCC[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C 795396702 OZOPUVKIBHKFIW-MSOLQXFVSA-N 318.461 3.305 10 10 DGCE Cc1ccc2occ(CC(=O)NCc3c(O)cccc3F)c2c1 1156170553 POIWXLMYWRLESD-UHFFFAOYSA-N 313.328 3.445 10 10 DGCE CC1(C)C[C@H](CN)CN1Cc1cc(Cl)cc(Cl)c1O 2132469430 UAWMNWFYWJJUKW-SECBINFHSA-N 303.233 3.258 10 10 DGCE Cc1cc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)ns1 1351672727 GSCFQRZRXHERFG-UHFFFAOYSA-N 315.442 3.324 10 10 DGCE C[C@@H](CCO)N(Cc1ccccc1)c1ccc([C@@H](C)O)c(O)c1 1915084582 RIDCAMUPXIBLBE-LSDHHAIUSA-N 315.413 3.223 10 10 DGCE Cc1nn(-c2ccccc2)c(Sc2nccs2)c1CO 111578016 UERXXMYTBLRCQB-UHFFFAOYSA-N 303.412 3.281 10 10 DGCE Cc1ccc(CCCC(=O)NCc2cc(O)ccc2O)s1 1471661666 XFMHTSGQRSANGY-UHFFFAOYSA-N 305.399 3.107 10 10 DGCE Cn1ccc2ccc(C(=O)NCc3cc(Cl)ccc3O)cc21 1628679872 BSFDLLCRPWBMEK-UHFFFAOYSA-N 314.772 3.467 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1ccc(F)c(C)c1N 1629959651 JJHVXYAAALQWTR-UHFFFAOYSA-N 316.376 3.474 10 10 DGCE COc1ccc(CNCCN(C)C(=O)C2CCCCC2)cc1C 1713569393 RUAVPHPIKXJUKJ-UHFFFAOYSA-N 318.461 3.132 10 10 DGCE COc1cccc(C)c1NC(=O)c1ccc(N=NC(N)=O)cc1 1634256129 GORNHUOTJAYZKX-UHFFFAOYSA-N 312.329 3.418 10 10 DGCE Cc1ccc(C(=O)N(C)Cc2ccccc2O)c(N)c1Cl 1566304351 CQXDWGSIOFBYFO-UHFFFAOYSA-N 304.777 3.208 10 10 DGCE C[C@@H](Cc1ccccc1)C(=O)NCc1ccc2cccnc2c1O 1643285353 XBJNAPKCOYNTOX-AWEZNQCLSA-N 320.392 3.435 10 10 DGCE C[C@H](NC(=O)c1cncn1-c1ccccc1)c1ccccc1O 1587447558 WRLYVINJBFEUAN-ZDUSSCGKSA-N 307.353 3.069 10 10 DGCE O=C(CCc1cccnc1)NCc1c(O)ccc2ccccc12 1597736564 GCTFVUHWESVJPF-UHFFFAOYSA-N 306.365 3.189 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CCCC[C@@]1(N)c1ccccc1O 1933869970 BPOREPYCICVSMJ-WMLDXEAASA-N 306.406 3.014 10 10 DGCE COc1ccc(CNC[C@H](C)NC(=O)[C@H](C)C(C)(C)C)cc1C 1699408943 NYYAMXKOOFJEFZ-GJZGRUSLSA-N 320.477 3.280 10 10 DGCE CCN1C(=O)/C(=C\c2cn[nH]c2-c2ccccc2)SC1=S 5807203 JLYWYKFDUSBXOI-XYOKQWHBSA-N 315.423 3.298 10 10 DGCE C[C@H](NC[C@H]1CCCS1)c1ccc(N2CCOCC2)cc1 168653061 ZGXQELARTZCPSZ-WMLDXEAASA-N 306.475 3.069 10 10 DGCE C[C@H](NCC[C@H](C)[S@](C)=O)c1ccc2ccccc2c1O 168847368 BISOSPXBFPINOB-OYMPBJRDSA-N 305.443 3.353 10 10 DGCE C[C@@H](NCc1ccc(N(C)C)cc1)c1cn(-c2ccccc2)nn1 154107049 RAHBAQBCUJBQRL-OAHLLOKOSA-N 321.428 3.184 10 10 DGCE COc1ccc(N(CCc2ccccc2)Cc2nncn2C)cc1 156583593 CZHROFWESAMOPN-UHFFFAOYSA-N 322.412 3.073 10 10 DGCE C[C@H]1[C@H](CNCc2cc(Br)ccc2O)C1(F)F 1947977376 GMLCZFVQSPVEJJ-XVKPBYJWSA-N 306.150 3.146 10 10 DGCE CSC[C@H]1C[C@H](NCc2c(O)cccc2Br)C1 1974456546 WDEFNNPZNXZCGH-MGCOHNPYSA-N 316.264 3.386 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H]1[C@H](N)c1ccc(N(C)C)cc1 1977945937 RMEZIGGQCUGMPC-DAXOMENPSA-N 319.449 3.008 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@@H](Oc1ccc(N)cc1)C2 1992460015 JVYFPIUMVSLQAR-RHNCMZPLSA-N 318.417 3.437 10 10 DGCE Cc1ccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)c(O)c1 1994458570 VJHPOYZUDZNNMM-UKRRQHHQSA-N 320.433 3.188 10 10 DGCE CN(C)c1ccncc1NCc1c(O)cccc1Br 706830035 LNYWCZYHNMITHP-UHFFFAOYSA-N 322.206 3.228 10 10 DGCE CCc1csc(SCC(=O)N(C)c2ccc(N)cc2)n1 382942772 JHCDOURXORQHDJ-UHFFFAOYSA-N 307.444 3.043 10 10 DGCE C[C@@H]1[C@H](C(=O)O)CCCN1Cc1cc(Cl)cc(Cl)c1O 384248273 LATTVRGCQQTFDF-LDYMZIIASA-N 318.200 3.384 10 10 DGCE COC[C@H](C)CN(C)c1ccc([C@H](C)N)cc1Br 386323990 LCFRBOUNIAWFCN-MNOVXSKESA-N 315.255 3.188 10 10 DGCE CNCc1ccc(N2C[C@@H](F)C[C@@H](F)C2)c(Br)c1 2062399186 CAVQXNKFLZFNIC-PHIMTYICSA-N 319.193 3.055 10 10 DGCE C[C@@H](N)c1ccc(N(C)Cc2cccn2C)cc1Br 2114548692 DRKRAJUYTRYUQK-LLVKDONJSA-N 322.250 3.444 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@H]1NC(=O)c1cc(Cl)nc(Cl)c1 2225794514 GNWSIDBKIDCPIE-SFYZADRCSA-N 300.149 3.350 10 10 DGCE CSc1ncc(CNCc2ccc3nsnc3c2)s1 2269090857 QYAMVJDPOHUCPB-UHFFFAOYSA-N 308.457 3.160 10 10 DGCE COc1cc(Cl)sc1[C@@H](N)c1ccc2c(c1)CCN2C 2295742896 GYFYCVGDDTZKOV-AWEZNQCLSA-N 308.834 3.451 10 10 DGCE CCCN1C(=O)C(=Cc2ccc3c(c2)OCCO3)SC1=S 2323693654 NAULXFYKJVMGJP-UHFFFAOYSA-N 321.423 3.069 10 10 DGCE CC(C)OCCCN1C(=O)C(=Cc2ccc[nH]2)SC1=S 2323791858 SYWIXHQUAQGBTF-UHFFFAOYSA-N 310.444 3.031 10 10 DGCE Cc1ccc(CNC(=O)OC(C)C)c(O)c1Br 2307570741 QDTXADIBEZJCNG-UHFFFAOYSA-N 302.168 3.098 10 10 DGCE CCCCOc1ccc(N=NN2CCN(C(C)=O)CC2)cc1 2330232866 QRNMKNDDHWQWAM-UHFFFAOYSA-N 304.394 3.028 10 10 DGCE NC(=O)C1CCN(N=Nc2cc(Cl)cc(Cl)c2)CC1 2330275698 BYECHXJSOJTGQE-UHFFFAOYSA-N 301.177 3.189 10 10 DGCE Cc1ccc(CN[C@@H](C)CCCCN)c(O)c1Br 2327632216 VXWMUUPSGOVNIZ-NSHDSACASA-N 315.255 3.070 10 10 DGCE CCO[C@H]1C[C@@H](NCc2ccc(C)c(Br)c2O)C1 2327619282 RUIFFRSQGOZKNY-TXEJJXNPSA-N 314.223 3.120 10 10 DGCE CC[C@H]1COCCN1c1ccc([C@H](C)N)cc1Br 103961753 RCTTXNSJOBEKRC-JQWIXIFHSA-N 313.239 3.084 10 10 DGCE Cc1cc(CNC(=O)NC(C)C)c(C)n1-c1ccc(F)cc1 9228730 NAYLGKLNVHKNOP-UHFFFAOYSA-N 303.381 3.441 10 10 DGCE C[C@H]1C[C@H](NCc2cc(OC(F)(F)F)ccc2O)CS1 2361025452 ANHUPWFZQGJBKH-WPRPVWTQSA-N 307.337 3.274 10 10 DGCE CC[C@@H](NC[C@@H](C)Cn1ccnc1)c1ccc(N(C)C)cc1 178057067 JGFIOXMSZYMBKY-CRAIPNDOSA-N 300.450 3.326 10 10 DGCE C[C@@H](CC[S@@](=O)CCCOc1ccc(N)cc1)C(F)F 2364121259 DZMVPPBETFLSKJ-YBTHPKLGSA-N 305.390 3.078 10 10 DGCE CCc1nc2n(n1)CCC[C@H]2N[C@H](C)c1cc(Cl)ccc1O 185682381 SRFNPYJEFYZOGE-ZWNOBZJWSA-N 320.824 3.385 10 10 DGCE COc1ccc(O)c(CN[C@H](C)c2ccccc2N(C)C)c1 89725909 NBEBDOZMISFJPZ-CYBMUJFWSA-N 300.402 3.318 10 10 DGCE O=C(Nc1cccc(Br)c1)c1ccc(O)c(O)c1 226950782 FILBGZDTFIZIOM-UHFFFAOYSA-N 308.131 3.113 10 10 DGCE CCOC(=O)[C@@H](C)[C@@H](C)NCc1c(O)ccc2ccccc12 190956356 YZFHRZHCSZRMLO-QWHCGFSZSA-N 301.386 3.223 10 10 DGCE Cc1ccc(O)c(CN[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)c1 381387574 RBCTYOYQYPCEOV-STQMWFEESA-N 308.422 3.092 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNCc2ccccc2O)C1 382012328 UZZSRWMQINBWKR-DZGCQCFKSA-N 320.433 3.175 10 10 DGCE COC(C)(C)[C@@H](N)c1ccc(NC(=O)OC(C)(C)C)cc1O 1952417491 FQMCERXCCOZUOS-ZDUSSCGKSA-N 310.394 3.164 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CCO[C@@H]3CCCC[C@H]32)c1O 249892140 UADBKVNAUDJEMW-HZPDHXFCSA-N 323.820 3.392 10 10 DGCE CCOc1ccc(O)c(CN2CC=C(C(F)(F)F)CC2)c1 271164526 BUXKNNAMHSHYSG-UHFFFAOYSA-N 301.308 3.485 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)N[C@H](C)[C@H](C)OC 291567737 XPPLGJKOKUUEOZ-KGLIPLIRSA-N 308.422 3.127 10 10 DGCE CN[C@H](c1ccc2c(c1)CCN2C)[C@@H]1SCCS[C@@H]1C 2163078155 GYBBRCKEAIUBTR-HFBAOOFYSA-N 308.516 3.177 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(C)n(CC)c1C 808094700 BTKVREASDUZHCK-UHFFFAOYSA-N 321.417 3.246 10 10 DGCE CO[C@@H]1C[C@@H]2C[C@@H](NCCCSc3nccs3)C[C@@H]2C1 818333435 WJEKYDPEYOZBMP-COVPZLACSA-N 312.504 3.419 10 10 DGCE Oc1nccc2c1CN(Cc1ccc3ccccc3c1O)CC2 816591620 JEWPSKKXTKZFAH-UHFFFAOYSA-N 306.365 3.204 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)NCC1(C2CCC2)CCC1 837216934 DENALUQSZHPPAU-SOFGYWHQSA-N 301.386 3.198 10 10 DGCE CC(C)N1CCC(NC/C=C/c2ccc(N(C)C)cc2)CC1 835037180 SYVRWCBZWWEATL-AATRIKPKSA-N 301.478 3.228 10 10 DGCE CC(C)[C@@H]1CCCC[C@@H]1NC(=O)NCCc1ccc(N)cc1 841787524 CXAXRNSMCHDQQL-IRXDYDNUSA-N 303.450 3.325 10 10 DGCE Oc1cc2c(cc1CN1CCCC[C@@H]1[C@@H]1CCC[C@H]1O)CCC2 840118730 ZSHYCFPTTYLNJP-IPMKNSEASA-N 315.457 3.396 10 10 DGCE Oc1ccccc1CN(Cc1ccnc(F)c1)C[C@H]1CCCO1 859191075 USKQSUBFEHYNDH-MRXNPFEDSA-N 316.376 3.108 10 10 DGCE COc1ccc(N2CC[C@H](N[C@@H](C)Cc3ccoc3)C2)cc1 850486479 HRLIMUHUDFUBTM-HOCLYGCPSA-N 300.402 3.088 10 10 DGCE O[C@@H]1C[C@H]2C[C@H]1CN(c1ccc(OCc3ccccc3)cc1)C2 1899873995 HTPNOPZWKLWDFG-FUHIMQAGSA-N 309.409 3.473 10 10 DGCE O=C(NCc1c(O)cccc1F)Nc1scnc1C1CC1 930595141 VUEDFBAFWXHXFC-UHFFFAOYSA-N 307.350 3.187 10 10 DGCE Cc1ccc(Cl)c(NCc2ccc(N3CCOCC3)cc2)n1 765011974 GHLVORDTOJLHBB-UHFFFAOYSA-N 317.820 3.492 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)CCc1cccc(C)c1 935946394 GMRGGUSSDVBSII-UHFFFAOYSA-N 318.413 3.435 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@H]2CCNCC(C)(C)C2)cc1 872253978 NZXYKJPCSQKHCU-OSJSJHBBSA-N 301.478 3.134 10 10 DGCE CC[C@H](NCCCN1CCCC1=O)c1cc(Cl)ccc1O 775485681 ZCNCABDWWVCYDN-AWEZNQCLSA-N 310.825 3.099 10 10 DGCE CCCN(CCC)c1ccc(CNC2(CC(N)=O)CCC2)cc1 789552407 FGHXBSXTRFDLRL-UHFFFAOYSA-N 317.477 3.201 10 10 DGCE CN(C)c1cc(F)c(CN2CCC(C)(N3CCC3)CC2)cc1F 895670800 FXLHFECMPWBPTH-UHFFFAOYSA-N 323.431 3.091 10 10 DGCE Cc1cccc(CN[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1O 398005252 GRDZMXAUVPVJRG-APWZRJJASA-N 310.441 3.453 10 10 DGCE CC(C)N[C@](CO)(CSc1nccs1)c1ccccc1 70521070 QFIWMTDFQBVSJK-OAHLLOKOSA-N 308.472 3.121 10 10 DGCE C[C@@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)c1ccccn1 1136025432 KEMBEPVNOXQKEQ-MRXNPFEDSA-N 323.440 3.444 10 10 DGCE COc1c(C(=O)NCc2ccc(N(C)C)cc2)[nH]c2ccccc12 794806825 BPMQSZODWYARJK-UHFFFAOYSA-N 323.396 3.173 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N(CC1CC1)C1CCCCC1 1143695867 AAMFOLREPRZFOO-UHFFFAOYSA-N 303.402 3.212 10 10 DGCE Cc1cc(C(=O)O)c(C)n1-c1c(Cl)ccc2nsnc12 88118825 DWNIHXYPVPSRFW-UHFFFAOYSA-N 307.762 3.450 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)NCc2ccns2)cc1 1167016818 JJNWLMJSZFLPMA-UHFFFAOYSA-N 311.410 3.481 10 10 DGCE Cc1ncccc1CN(C)c1ccc(CN)c(Br)c1 2129841373 CMZSQESXJWHVSC-UHFFFAOYSA-N 320.234 3.248 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(CCc2ccc(Br)cn2)C1 1912204051 IITGTFSGDQVZAP-GFCCVEGCSA-N 310.199 3.161 10 10 DGCE O=C(O)C=Cc1ccc(N2C[C@@H]3CSC[C@H]3C2)cc1Cl 1911926723 YDNCKDJXZHDWMG-VXGBXAGGSA-N 309.818 3.237 10 10 DGCE COc1ccc(CNC(=O)c2[nH]ccc2-c2ccccc2)c(O)c1 1296967522 CXLPYXYHZQMTMF-UHFFFAOYSA-N 322.364 3.326 10 10 DGCE CC(C)(O)CCN(Cc1ccccc1)c1ccc(CN)c(F)c1 1915741684 YZUOEUSKBGZGJM-UHFFFAOYSA-N 316.420 3.452 10 10 DGCE COc1ccc(CN[C@H](CC(=O)OC(C)C)C(C)C)cc1C 1460312143 FFWCDBAEVGRIKR-MRXNPFEDSA-N 307.434 3.460 10 10 DGCE CC(C)(C)Oc1ccccc1NC(=O)Cc1ccc(O)c(O)c1 1629356655 LWLRMFCVGSRKQI-UHFFFAOYSA-N 315.369 3.456 10 10 DGCE COc1ccc(CNC[C@H](C)CNC(=O)[C@H](C)C(C)C)cc1C 1715260781 YIBPNDGEZRPBCR-GOEBONIOSA-N 320.477 3.138 10 10 DGCE C[C@H](Cc1cccc(Cl)c1)C(=O)NCc1c(O)cccc1O 1558533268 AYMNDGCDICLZHB-LLVKDONJSA-N 319.788 3.246 10 10 DGCE CCCCC(=O)N1CC[C@@H](NCc2ccc(OC)c(C)c2)[C@H]1C 1725553884 DLTXIRIWYWVHBP-NVXWUHKLSA-N 318.461 3.273 10 10 DGCE CCOc1cc(Cl)ccc1NC(=O)Cc1ccc(O)c(O)c1 1566364147 GBJUODURZZXCKF-UHFFFAOYSA-N 321.760 3.331 10 10 DGCE COC(=O)c1cc(OC[C@@H]2C[C@H]3CC[C@H]2C3)ccc1N(C)C 1641368608 NSQDUWRTDZFFRY-IHRRRGAJSA-N 303.402 3.354 10 10 DGCE CCOc1ccc(N(CC2CC2)C[C@H]2CCC3(COC3)O2)cc1 1655333198 IBONTYKLZNDILQ-GOSISDBHSA-N 317.429 3.250 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(Cl)c(O)c1 1587404041 AWNCJFRNCOZQEQ-UHFFFAOYSA-N 318.804 3.384 10 10 DGCE CC(C)(C)OC(=O)NC[C@H](CC1CC1)[C@@H](N)c1ccccc1O 1936967996 MMMBENYOZVXBPW-XJKSGUPXSA-N 320.433 3.333 10 10 DGCE C[C@H](NCc1cc(Cl)cc(Cl)c1O)c1nccn1C 850409630 DUXDSXXAWSRALV-QMMMGPOBSA-N 300.189 3.283 10 10 DGCE CN(CCN=[N+]=[N-])[C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 1962299767 OPUVEIKWWUMBLQ-OLZOCXBDSA-N 311.430 3.312 10 10 DGCE CCN(CCN=[N+]=[N-])[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 1962298975 JZFQBKYJUUSCOF-CHWSQXEVSA-N 311.430 3.312 10 10 DGCE CN(CCC(C)(F)F)c1ccc(CN)c(Br)c1 2004468662 LQDLNSCPVLCTGJ-UHFFFAOYSA-N 307.182 3.389 10 10 DGCE CC[C@](C)(NC(=O)OC(C)(C)C)[C@H](O)c1ccc(N(C)C)cc1 1977938773 LCQQKMPJOLHGJG-QAPCUYQASA-N 322.449 3.479 10 10 DGCE NC(=O)c1ccc(Cl)c(NCc2cc(Cl)ccc2O)c1 36943492 BSNPSLRHNMBZID-UHFFFAOYSA-N 311.168 3.410 10 10 DGCE COc1ccc([C@@H](C)NCC/C=C/Br)c(O)c1 2004057998 DPXGGDSXGXUXSZ-KFEJWOFMSA-N 300.196 3.350 10 10 DGCE CN1CCc2cc(C3(O)CCN(Cc4ccccc4)CC3)ccc21 1999509769 RHVLOHCLIMQMOT-UHFFFAOYSA-N 322.452 3.163 10 10 DGCE CO[C@@H]1CCCC[C@@H]1NCc1c(O)cccc1Br 2027929631 PPKTVISFDORHSL-GXTWGEPZSA-N 314.223 3.202 10 10 DGCE CC[C@@H]1CCOC[C@@H]1NCc1ccc(Br)cc1O 2035116461 AYRUCJQMAFRBIC-MFKMUULPSA-N 314.223 3.059 10 10 DGCE NCc1cc(F)c(N2CC[C@@H]2CC2CC2)cc1Br 2036520854 OQCYIAXMHONLIT-LLVKDONJSA-N 313.214 3.426 10 10 DGCE Cc1nsc(Sc2ncc(CNCC(C)C)s2)n1 2037781630 TVCJHYHNOIAHCT-UHFFFAOYSA-N 300.478 3.200 10 10 DGCE CO[C@H]1C[C@@H](N(C)c2ccc([C@H](C)N)c(Br)c2)C1 2038791920 NZQUQNUMZGFETB-ZMLRMANQSA-N 313.239 3.082 10 10 DGCE NC[C@]12CCC[C@@H]1CN(Cc1cc(Cl)cc(Cl)c1O)C2 312750996 XBZQAPUQPOQPGN-ABAIWWIYSA-N 315.244 3.260 10 10 DGCE O=C(O)c1cnc(Sc2ccc3c(c2)OCCCO3)s1 313328683 KYQYVCGDHKOTPJ-UHFFFAOYSA-N 309.368 3.154 10 10 DGCE CO[C@@H]1CCC[C@H]1N(C)Cc1c(O)cccc1Br 687463082 MEEISAMOWXREOP-TZMCWYRMSA-N 314.223 3.154 10 10 DGCE Nc1ccc(OCCC(=O)OCc2csc(Cl)c2)cc1 378989706 GEGKRKQEBJNQPB-UHFFFAOYSA-N 311.790 3.496 10 10 DGCE C[C@H]1CCN(c2ccc(CN)cc2Br)CCS1 379525003 RPVHLWZNDYFZGP-JTQLQIEISA-N 315.280 3.240 10 10 DGCE CCCNCc1cc(F)c(N2CC[C@H](SC)C2)c(F)c1 382944713 JXSLSLALGOYRKS-LBPRGKRZSA-N 300.418 3.406 10 10 DGCE CN[C@H](C)c1ccc(N(C)Cc2cc(Cl)ns2)cc1O 2167207313 IBKPOJXVVBDWMA-SECBINFHSA-N 311.838 3.419 10 10 DGCE Cc1ccc(O)c([C@@H](C)n2nc(CC(C)C)cc2C(=O)O)c1 2069875778 LGCTWYBUWXCZLZ-GFCCVEGCSA-N 302.374 3.403 10 10 DGCE CNCc1cc(-c2ccccc2)nn1Cc1cc(C)ccc1O 2070076128 KADKOBZGWORQGI-UHFFFAOYSA-N 307.397 3.332 10 10 DGCE CC[C@H](c1cc(C)c(C)cc1O)n1nc(C(F)F)c(CN)c1N 2079846622 GQUNUEVMABXPHC-GFCCVEGCSA-N 324.375 3.183 10 10 DGCE C[C@H](O)c1ccc(N(C)C[C@@H]2C[C@@H]2F)cc1Br 1908985424 HWLOKYUQMPYIOI-RVBZMBCESA-N 302.187 3.297 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@H]32)c(Br)c1 2053731828 YQPHRBFMDJCPND-CXQYMPKFSA-N 307.235 3.313 10 10 DGCE Cc1sc(C(=O)N2CC(N=[N+]=[N-])C2)c(C)c1Br 2213775338 ROVDMBQNXLLTNB-UHFFFAOYSA-N 315.196 3.262 10 10 DGCE CN(C)c1ccc([C@H](N)c2nc(C(F)(F)F)cs2)cc1 2234791386 KXQVKRIZHGRVGC-NSHDSACASA-N 301.337 3.276 10 10 DGCE Oc1ccc(Br)cc1CN[C@H]1CCC[C@@H]1CF 2251062122 WRVZLUFZRBOLPP-SKDRFNHKSA-N 302.187 3.383 10 10 DGCE CCCN1CCC[C@H]([C@H](C)NCc2cnc(SC)s2)C1 2284688618 LLJXVMOLPBUSFO-STQMWFEESA-N 313.536 3.465 10 10 DGCE O=C1NC(=S)SC1=CNc1cc(Cl)cc(Cl)c1 2297535202 ISDHGDVYMFQGRG-UHFFFAOYSA-N 305.211 3.395 10 10 DGCE CC[C@@H](C)C(=O)NCc1ccc(C)c(Br)c1O 2307569435 FVIZWWRYBUDHRC-MRVPVSSYSA-N 300.196 3.125 10 10 DGCE C[C@H](c1ccccc1F)N(C)C(=O)C=Cc1ccc(O)c(O)c1 2307986336 OZXKCLTYDYBWQV-GFCCVEGCSA-N 315.344 3.470 10 10 DGCE CSc1cc(N2CCC(=CBr)C2)ccc1CN 2308067221 RNTDKLRTUIQOFR-UHFFFAOYSA-N 313.264 3.356 10 10 DGCE Nc1cccc(Br)c1N[C@H]1CCC12CCOCC2 2319244244 UEALQDBHSUFEDZ-LBPRGKRZSA-N 311.223 3.402 10 10 DGCE COc1ccc(Br)cc1[C@H](O)Cc1ccc(N)cc1 2339202746 MNJCNHNRGGRQTD-CQSZACIVSA-N 322.202 3.316 10 10 DGCE COc1ccc(O)c(CNC(=O)/C=C(\C)c2cccc(F)c2)c1 172042555 RPZNEGJKCRJEGZ-XYOKQWHBSA-N 315.344 3.260 10 10 DGCE CCCCN(CC)c1c(F)cc(CNCCOC)cc1F 62734515 PLAFHIQULDIARK-UHFFFAOYSA-N 300.393 3.327 10 10 DGCE C[C@@H]1CN(Cc2ccccc2O)C[C@H](c2ccc(F)cc2)O1 179578639 OQWSDWPCDTWDQZ-FZKQIMNGSA-N 301.361 3.493 10 10 DGCE Cc1cncc(/C=C/C(=O)N2CCCN(C)c3ccccc32)c1 178655587 NAAHTTBYRIBSAU-CMDGGOBGSA-N 307.397 3.276 10 10 DGCE CCN(c1ccc(CNC)cc1Br)[C@H](C)COC 300499363 UYOYLMMVNDMIRL-LLVKDONJSA-N 315.255 3.030 10 10 DGCE Nc1ccc(CS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 35309256 VHOWYTMSYLILBZ-UHFFFAOYSA-N 315.316 3.262 10 10 DGCE C[C@H]1CN([C@@H](C)c2cc(Br)ccc2O)C[C@@H](C)O1 131912957 QBVILXPXNABSTA-AXFHLTTASA-N 314.223 3.325 10 10 DGCE N[C@@H]1CCCN(c2ccc(OCCCC(F)(F)F)cc2)C1 130561701 XQYLFHMBRGQRES-GFCCVEGCSA-N 302.340 3.335 10 10 DGCE Cc1nc([C@H]2CCCN2C(=O)c2ccc(C)c(O)c2O)cs1 190013251 ONEFATXDLHGGAT-CYBMUJFWSA-N 318.398 3.148 10 10 DGCE C[C@H](CNCc1ccc(N2CCOCC2)cc1)c1ccccc1 237575174 AKWGKKVPHPXWKU-QGZVFWFLSA-N 310.441 3.417 10 10 DGCE CC[S@](=O)[C@@H]1CCC[C@H](N[C@H](C)c2ccc(C)cc2O)C1 248485992 FJASGGPQGYOTMG-RPNZERQGSA-N 309.475 3.431 10 10 DGCE CN(C)c1ccc(CNC(=O)c2ccoc2C(F)(F)F)cc1 289421164 WHAJJZONAJKFBJ-UHFFFAOYSA-N 312.291 3.294 10 10 DGCE O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCCC1(F)F 806846760 WNDSUWCUTARCRQ-OAHLLOKOSA-N 321.371 3.050 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)CSC(C)(C)C 808093709 UZLNXXFXKKLBHP-UHFFFAOYSA-N 302.436 3.026 10 10 DGCE CCOCc1nc([C@@H](C)N[C@H](C)c2ccc(N(C)C)cc2)no1 290214344 QEKMQCDAIICULP-CHWSQXEVSA-N 318.421 3.084 10 10 DGCE Cc1cc(C)c([C@H](C)NC2CCN(C(=O)C(C)C)CC2)c(O)c1 293255396 BUHUNPMUGVNIGV-HNNXBMFYSA-N 318.461 3.307 10 10 DGCE Cc1cccc(CN(C)C2CCN(CC(F)(F)F)CC2)c1O 825294810 ZGVFWXQMVCWDLD-UHFFFAOYSA-N 316.367 3.159 10 10 DGCE COc1cc(Cl)cc(CN[C@@H](c2ccccc2)[C@@H](C)O)c1O 827856800 SAIALNOWIMLRSX-BDJLRTHQSA-N 321.804 3.266 10 10 DGCE CC(C)(C)C(F)(F)CNC(=O)c1ccc(N=NC(N)=O)cc1 824727716 APBJHFZYLUIMAC-UHFFFAOYSA-N 312.320 3.260 10 10 DGCE C[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@H]1CCN 903977123 JSONJSMODZCVPI-SJLPKXTDSA-N 301.478 3.094 10 10 DGCE CN(C)c1ccc(/C=C\CN2C[C@]3(CCCO3)[C@H]2C2CC2)cc1 835055877 OQPWUWCUJFEKFV-NFYQCCHDSA-N 312.457 3.409 10 10 DGCE Cc1cc(C(=O)N(C)Cc2ccccc2O)nn1-c1ccccc1 917311972 MRMCCYLAKJSDPS-UHFFFAOYSA-N 321.380 3.159 10 10 DGCE COc1ccc(O)c([C@H](C)NCc2c(C)cc(OC)nc2C)c1 845972488 QXUCAEUKXGBBGC-LBPRGKRZSA-N 316.401 3.272 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1[C@H](COc2ccc(N)cc2)C1(C)C 1952925314 OGPXGTNMXQANMP-UONOGXRCSA-N 306.406 3.197 10 10 DGCE C[C@H](N[C@H]1C[C@@](C)(O)C1)c1ccc(N2CCCCC2)c(F)c1 841760758 YQUTYPIOOVVVLH-DHSIGJKJSA-N 306.425 3.380 10 10 DGCE Cc1cc(Cl)cc(CN2CCC([C@H]3CCCN3)CC2)c1O 843044196 AAIDTKXVHYXBJM-MRXNPFEDSA-N 308.853 3.318 10 10 DGCE Oc1ccc(Cl)c(F)c1CN[C@@H](c1ncccn1)C1CC1 922578039 GPSPZUYWZHPVNJ-CQSZACIVSA-N 307.756 3.216 10 10 DGCE CCC[C@@H](C)N(C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 854300876 CHRNECNNIQWNNR-HUUCEWRRSA-N 319.449 3.104 10 10 DGCE C[C@H](N[C@H](c1ccccc1)[C@H](C)O)c1cc([N+](=O)[O-])ccc1O 850585555 ZICAIELZHGXLHW-PRXAMGSTSA-N 316.357 3.073 10 10 DGCE Cc1ccc(O)c(CNC(=O)NCC(C)(C)CC(F)(F)F)c1 858627654 OEPNNRCUDFKRRG-UHFFFAOYSA-N 318.339 3.478 10 10 DGCE CCN(CC)c1ccc(CN[C@H]2C[C@H]3CC[C@@H](N3)[C@@H]2C)cc1F 925566938 MMGNBWLYQASNLN-NZPGVSJUSA-N 319.468 3.291 10 10 DGCE CCCCN(Cc1ccccc1O)C[C@@H](OC)[C@@H]1CCOC1 852017972 IGAGRPNJRWPKLW-SJLPKXTDSA-N 307.434 3.046 10 10 DGCE CCOC(=O)C1=CC[C@@H](N[C@H](C)c2cc(Cl)ccc2O)C1 858505797 PMSJHAISZFEMIX-ZWNOBZJWSA-N 309.793 3.348 10 10 DGCE CCN(C(=O)/C=C/c1ccc(C)nc1)c1ccccc1C(=O)OC 754273774 DAMFLLUEQRROIH-VAWYXSNFSA-N 324.380 3.243 10 10 DGCE C[C@@H](NC(=O)c1cccc2c1C(=O)CC2)c1ccc(N(C)C)cc1 867504704 YVRJNHATNNHCCO-CYBMUJFWSA-N 322.408 3.373 10 10 DGCE C[C@H]1CNc2cc3c(cc2N1Cc1ccc(F)cc1)OCO3 57925567 PVZBPXCRJCNHDF-NSHDSACASA-N 300.333 3.375 10 10 DGCE C[C@H](COCC(=O)N1Cc2cccc(O)c2C1)c1ccccc1 871206254 XJONYCNQLSLNAY-CQSZACIVSA-N 311.381 3.055 10 10 DGCE COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1Cc1ccccc1O 779034580 YOGUSDQNJYHDSE-IRXDYDNUSA-N 317.429 3.336 10 10 DGCE CC(=O)C(C)(C)CCC(=O)N[C@H](C)c1ccc(N(C)C)cc1 775404213 MAKFULSVZZRPFU-CYBMUJFWSA-N 304.434 3.325 10 10 DGCE CC[C@H](C)CNCc1ccc(N2CCN(CC3CC3)CC2)cc1 771868382 MTKPBDZLNIESGP-KRWDZBQOSA-N 315.505 3.354 10 10 DGCE CN(C)c1ccc(OCC(=O)Nc2cc(F)cc(F)c2)cc1 786875386 DHJSCRIUIVCVGF-UHFFFAOYSA-N 306.312 3.048 10 10 DGCE CCOc1ccc(CNCCc2cc(C)c(O)c(C)c2)c(O)c1 786826723 IOVRVRWYCSAWNO-UHFFFAOYSA-N 315.413 3.446 10 10 DGCE Cc1cncc(/C=C/C(=O)N2CCOc3c(F)cc(F)cc32)c1 1130638887 RVPKFVOHYYVLDN-NSCUHMNNSA-N 316.307 3.107 10 10 DGCE CCN(C(=O)OC(C)(C)C)[C@@H](C)CNCc1cccc(C)c1O 387464355 QSQWQBZNKNBICO-AWEZNQCLSA-N 322.449 3.436 10 10 DGCE COc1ccc(CNCc2cc(C)c(OC)c(C)c2)c(O)c1 793389053 UNTDMOZBNGQMLB-UHFFFAOYSA-N 301.386 3.316 10 10 DGCE CC1=C[C@H](C)CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 797463240 IMBNJBXSDOWUCS-HNNXBMFYSA-N 311.429 3.170 10 10 DGCE CCOC(=O)[C@@H]1C2CCC(CC2)N1Cc1ccc(N(C)C)cc1 1170534337 BOXYVZMVNNIERQ-VJFUWPCTSA-N 316.445 3.059 10 10 DGCE CNCc1ccc(N2CC[C@H](P(C)(C)=O)C2)cc1Cl 2125222532 HVGMODNDMWSXIO-ZDUSSCGKSA-N 300.770 3.261 10 10 DGCE CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccsc2)cc1 1335402286 ZGJSQAURCICQJF-JKSUJKDBSA-N 300.427 3.234 10 10 DGCE CCOc1cc(NCc2ccc3cccnc3c2O)nc(C)n1 1186757329 RVVQOEKBOUUXDX-UHFFFAOYSA-N 310.357 3.050 10 10 DGCE CCCN(CCC)c1ccc(CN2C[C@H](O)C3(CC3)C2)cc1 1338444609 AVVKPDQRRLFJIE-SFHVURJKSA-N 302.462 3.270 10 10 DGCE CN1CC[C@@H](CN(C)Cc2cc(Cl)cc(Cl)c2O)C1 211490778 QDILRABSCUVJGD-SNVBAGLBSA-N 303.233 3.083 10 10 DGCE [N-]=[N+]=N[C@@H]1CCN(C(=O)c2ccc(Br)s2)C1 1912154287 LMIZEOUENLKNDH-ZCFIWIBFSA-N 301.169 3.035 10 10 DGCE NCc1ccc(N(Cc2ccccc2)[C@@H]2CCOC2)cc1F 1915472868 WHJFGGJIIQROLW-QGZVFWFLSA-N 300.377 3.080 10 10 DGCE COc1ccc(CN[C@]2(C(=O)OC)CC[C@@H](C)CC2)cc1C 1460390115 PDXPUAXPYNBLBG-KTXOBNNYSA-N 305.418 3.215 10 10 DGCE CCCCC1(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1 1532106067 QDPQRFSDUXJURU-HNNXBMFYSA-N 316.445 3.361 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N(Cc2ccncc2)C2CC2)cc1 1542204834 HQNRJQDNZHUBKU-UHFFFAOYSA-N 323.356 3.049 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)C3C(C)(C)C3(C)C)C2)cc1 1617262459 HWFDWAZJPOTKEH-CYBMUJFWSA-N 316.445 3.072 10 10 DGCE C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1cc2cnccc2o1 1558068000 JSWSFBSVLKVIRQ-TZNOJPMFSA-N 324.336 3.130 10 10 DGCE COc1cc(Cl)cc(CNCC=CBr)c1O 1925915380 OVAXEZATYDLFTE-UHFFFAOYSA-N 306.587 3.052 10 10 DGCE CC(=O)c1ccc(NCc2c(O)cccc2F)c([N+](=O)[O-])c1 1640434773 KVWLRHPFYIZRJP-UHFFFAOYSA-N 304.277 3.254 10 10 DGCE COc1cc(NCc2c(O)cccc2O)c(Cl)cc1[N+](=O)[O-] 1655887781 WIZIJUKBMVSDCA-UHFFFAOYSA-N 324.720 3.280 10 10 DGCE COc1ccc2c(c1)CCCCN2CC(=O)NCC(C)(C)C 1652934489 OSXIBJDLMXICQG-UHFFFAOYSA-N 304.434 3.000 10 10 DGCE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(CCCCN=[N+]=[N-])C1 1962297772 ASONFJCFXWJFBK-OLZOCXBDSA-N 311.430 3.312 10 10 DGCE Nc1ccc(CCc2nc3cc(Br)cnc3[nH]2)cc1 134675148 VCEVZRGSDVRWBQ-UHFFFAOYSA-N 317.190 3.088 10 10 DGCE COc1ccc(C2=C/C(=C\c3cccnc3)C(=O)O2)c(OC)c1 6396672 NEXOABGLJKVTBF-MDWZMJQESA-N 309.321 3.080 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1C[C@@H]2CCC[C@H](C1)N2 843103884 DRHWPRKRXLWXPR-TXEJJXNPSA-N 301.217 3.025 10 10 DGCE C[C@H](O)[C@H](NCc1cc(Cl)cc(Cl)c1O)C(F)(F)F 1882638945 JCZOOERRJFEBPH-RRAGMBSWSA-N 318.122 3.100 10 10 DGCE CC[C@@H](NCc1c(Br)ccc(OC)c1O)C(F)F 1964075367 ASAKSJRZEYNFPN-SECBINFHSA-N 324.165 3.297 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2CCN(CCCCN=[N+]=[N-])C[C@H]2C1 1982246252 RRBCYADQZCPPSW-KGLIPLIRSA-N 323.441 3.266 10 10 DGCE CN(CCCN=[N+]=[N-])[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 1982246963 BHZWEYPEWBXHKM-MJBXVCDLSA-N 323.441 3.407 10 10 DGCE CCN(c1ccc(CO)c(Br)c1)[C@H]1CCSC1 2003839482 CKUYZIBVWKYKBA-LBPRGKRZSA-N 316.264 3.273 10 10 DGCE C[C@@H]1CC[C@@](NC(=O)OC(C)(C)C)([C@H](N)c2ccccc2O)C1 1990399589 JNWFPDWIRWJROI-DWQUBVKVSA-N 320.433 3.476 10 10 DGCE CCOC(=O)C1CCC(Sc2ncc(CNC)s2)CC1 2155326003 DWWVGNGLMSLTST-UHFFFAOYSA-N 314.476 3.077 10 10 DGCE C[C@H](N)c1ccc(N2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)cc1 2014348204 OBUWZTMFDJZOIS-MDKPJZGXSA-N 321.468 3.417 10 10 DGCE CC(C)[C@H]1C[C@@H](NCc2ccc(Br)cc2O)CO1 691467269 NHVNPHUTSALKKP-TZMCWYRMSA-N 314.223 3.058 10 10 DGCE Cc1cc(CN(C)C)n(Cc2cc(C(F)(F)F)ccc2O)n1 2070097605 QATWBEQLGYBEGW-UHFFFAOYSA-N 313.323 3.026 10 10 DGCE Oc1ccc(Br)cc1CNc1nccnc1Cl 1171175310 JZDCHIPHWHSTFB-UHFFFAOYSA-N 314.570 3.210 10 10 DGCE CC[C@@H](O)CN(CC)c1ccc([C@@H](C)N)c(Br)c1 2044553883 JTEKJANSXQIUNE-ZYHUDNBSSA-N 315.255 3.066 10 10 DGCE C[C@H]1CCOCC[C@H]1NCc1cc(Br)ccc1O 2046731211 MVNGANXLPMBYJK-GXFFZTMASA-N 314.223 3.059 10 10 DGCE COC1(CN(C)c2ccc([C@@H](C)N)c(Br)c2)CC1 2048922167 DMDOVOZAFDDKAV-SNVBAGLBSA-N 313.239 3.084 10 10 DGCE Cc1cc(N(C)CC2(Br)CC2)ccc1C[C@@H](C)N 2076235897 CHNSIMWOESVBDG-GFCCVEGCSA-N 311.267 3.248 10 10 DGCE CN(CC1(Br)CC1)c1ccc(CNC2CC2)cc1 2076247547 IUGLWNATNKNCIJ-UHFFFAOYSA-N 309.251 3.302 10 10 DGCE Cn1nc(CNCc2ccc(Cl)cc2O)c(Cl)c1Cl 2094367844 LYIYTCNMCIUTIW-UHFFFAOYSA-N 320.607 3.376 10 10 DGCE CN(Cc1cc(Cl)cc(Cl)c1O)[C@H]1CCC[C@@H](N)C1 2099836310 PGZRZNPTDKAGOO-NEPJUHHUSA-N 303.233 3.401 10 10 DGCE COc1ccc(N2CCC(Cl)=C(Cl)C2)c(C[C@H](C)N)c1 2235966436 SPIRVFRPWHCCBR-JTQLQIEISA-N 315.244 3.484 10 10 DGCE CN(Cc1cccc(Cl)c1)C(=O)C=Cc1ccc(O)c(O)c1 2307982090 NECPMZMGZBVASL-UHFFFAOYSA-N 317.772 3.423 10 10 DGCE Cc1cc(C)c(CNC(=O)C=Cc2ccc(O)c(O)c2)c(C)c1 2307990322 KDAVZUDRXXVUPK-UHFFFAOYSA-N 311.381 3.353 10 10 DGCE CCCC1=NN(CC(C)C)C(=O)C1=Cc1ccc(O)c(OC)c1 2332134750 GHTALOHQDIAWFK-UHFFFAOYSA-N 316.401 3.439 10 10 DGCE Cc1cc(O)c(CN2CC[C@H]3CC[C@@H](C2)N3C(C)C)cc1C 174097776 BJZPITHIRRARNT-MSOLQXFVSA-N 302.462 3.456 10 10 DGCE C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)COc1ccc(N)cc1 301182083 AULSSYWSWUZWSV-HNNXBMFYSA-N 324.424 3.475 10 10 DGCE CN(C)[C@@H](c1cc([N+](=O)[O-])ccc1O)c1c[nH]c2ccccc12 71705161 CFLHTLZFNAIEFT-KRWDZBQOSA-N 311.341 3.433 10 10 DGCE Oc1c(Cl)cccc1CNCc1snnc1C1CCC1 2360882308 MOUKBWORHYEEOO-UHFFFAOYSA-N 309.822 3.454 10 10 DGCE CCCOc1ccc(CN[C@H](C)C(=O)OC(C)(C)C)c(O)c1 123239798 HGOUOFYYMWMVAV-GFCCVEGCSA-N 309.406 3.001 10 10 DGCE Cc1ccccc1/C=C/C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 186435875 YFCSQRXVCKEWKW-PLWJUESGSA-N 311.381 3.167 10 10 DGCE Cc1ccc(O)c([C@H](C)NC/C=C/CNC(=O)OC(C)(C)C)c1 227756616 AFFOUGXPKQLYEB-UZYOAWRESA-N 320.433 3.432 10 10 DGCE O=C(c1csc(Cl)c1)N1CCc2cc(O)c(O)cc2C1 2366901947 BFZMVWPEUGQOGK-UHFFFAOYSA-N 309.774 3.011 10 10 DGCE Nc1ccc(CS(=O)(=O)Nc2ccc3sccc3c2)cc1 88119201 VJCRMZYTTCUXIV-UHFFFAOYSA-N 318.423 3.425 10 10 DGCE CCOc1ccc(O)c(CN(C)CCc2ccccc2OC)c1 93105311 AISSEVMOQQHPEN-UHFFFAOYSA-N 315.413 3.474 10 10 DGCE C[C@H]1CC[C@H](C)N(Cc2ccc(N3CCOCC3)c(F)c2)C1 93498628 WNSYWYIUBFDXSP-GJZGRUSLSA-N 306.425 3.283 10 10 DGCE CCN(CC)c1ccc(CNC(=O)N2CC(C3CC3)C2)cc1F 813062341 KRFUJAMZOGZHND-UHFFFAOYSA-N 319.424 3.223 10 10 DGCE COc1cc(O)c(CN2CC(c3ccccc3F)C2)cc1OC 812789959 FLZSKDSTEKHETO-UHFFFAOYSA-N 317.360 3.148 10 10 DGCE CC(C)[C@@H]1C[C@@H](CNCc2ccc(N(C)C)c(F)c2)CCO1 824798614 GFJDILMKUXHDMC-YJBOKZPZSA-N 308.441 3.433 10 10 DGCE OCc1ccc(N(CC(F)F)CC(F)(F)F)c(Cl)c1 720078298 ADPRQILWZRATIM-UHFFFAOYSA-N 303.658 3.466 10 10 DGCE Cc1ncccc1/C=C/C(=O)NCc1ccc2c(c1)CCCN2C 822868069 SFEWOYQLNNMULE-CSKARUKUSA-N 321.424 3.102 10 10 DGCE COC(=O)/C=C\c1ccc(N(C)[C@@H](C)C(C)C)c([N+](=O)[O-])c1 733186969 MJFYKBPYZRANNY-UPZNUWHASA-N 306.362 3.262 10 10 DGCE CN(C)c1ccc(/C=C\CNCc2nn(C)c3ccccc23)cc1 835048562 VGFZPRRPROVMOL-SREVYHEPSA-N 320.440 3.442 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2 739026453 RUIXOUNNKQVTPL-BQFCYCMXSA-N 315.461 3.473 10 10 DGCE COc1cccc(CNC(=O)C2CC3(CCCCC3)C2)c1O 830536938 YGNZXIPOJPARPU-UHFFFAOYSA-N 303.402 3.378 10 10 DGCE CCCN(CCC)c1ccc([C@H]2NC(=O)CN2CC(C)C)cc1 917505719 DDDZCISBQZUCPE-IBGZPJMESA-N 317.477 3.399 10 10 DGCE Cc1cc(O)c(CN2CCC(c3nc(C)no3)CC2)c(Cl)c1 840910012 DGAAHCIZWXQVLF-UHFFFAOYSA-N 321.808 3.425 10 10 DGCE CC[C@@H]1CCN1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C 840483292 JGQOBPAWVHOQBI-GDBMZVCRSA-N 303.450 3.186 10 10 DGCE CCCN(CCC)c1ccc(CNCC2(C(=O)O)CC2)cc1 841809211 VIOCWOQMYJTDHN-UHFFFAOYSA-N 304.434 3.267 10 10 DGCE CCN(C)c1ccc(CN2CCOc3ccc(O)cc3C2)cc1 852688797 KNWKFYLPBLVPCL-UHFFFAOYSA-N 312.413 3.243 10 10 DGCE COc1cccc(CNCC(F)(F)c2cccc(F)c2)c1O 850354482 KHZLGWNRHOXFFO-UHFFFAOYSA-N 311.303 3.422 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@H](C)c3nc(C)cs3)C2)cc1 858431367 VZIDKWHGWICQQH-ZIAGYGMSSA-N 317.458 3.390 10 10 DGCE COc1cc(C)cc(CN2CCC(OCC3CC3)CC2)c1O 754738309 XBCHQXIJNLZQCU-UHFFFAOYSA-N 305.418 3.100 10 10 DGCE O=C(NCc1ccc(O)c(O)c1)c1cc(C2CC2)[nH]c1C1CC1 860243627 RZJALNYGJHQUFN-UHFFFAOYSA-N 312.369 3.111 10 10 DGCE O=C(N[C@H]1[C@@H]2c3cccc(Cl)c3C[C@H]21)c1cc(O)cs1 863049530 JGDPDGINUSIAGY-LERXQTSPSA-N 305.786 3.175 10 10 DGCE C[C@@H]1CC[C@H](N[C@H](C)c2ccc(N3CCCCC3)cc2)CN1 863545396 QRLUIVGEWXFPEZ-NUJGCVRESA-N 301.478 3.468 10 10 DGCE CC[C@H](C(=O)NCc1cc(C)ccc1O)c1c(C)noc1C 862758534 CAMMNUDNOXELMV-AWEZNQCLSA-N 302.374 3.115 10 10 DGCE Cc1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c2nccn2c1 860951113 YQNJILPJBWZDHI-AWEZNQCLSA-N 322.412 3.200 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1C[C@@H]2C[C@H]2C[C@H]1C 1126082407 MGRSNCPIAWBDOJ-NYCLONFESA-N 300.446 3.359 10 10 DGCE COc1ccc(CNC(=O)N[C@@H](C)c2cccs2)c(O)c1 792795311 SADQUNMYFUYVFR-JTQLQIEISA-N 306.387 3.023 10 10 DGCE CN(Cc1ccccc1O)C(=O)c1ccn(C2CCCCC2)n1 792226276 QLPNABJLIZDODL-UHFFFAOYSA-N 313.401 3.366 10 10 DGCE Cc1ccc(O)c2c1[C@H](C)C[C@H]2NC[C@]12CCC[C@H]1NCC2 1332422431 WBAVKAPIYWNFEP-NPNMTCQASA-N 300.446 3.371 10 10 DGCE Cn1cnc(/C=C\C(=O)N2CCSc3ccc(Cl)cc32)c1 1353158343 UMBUHJMCIGBXLG-HYXAFXHYSA-N 319.817 3.226 10 10 DGCE C[C@H](NC(=O)c1ccc(F)c(C=O)c1)c1ccc(N(C)C)cc1 1447972748 QLANRGBTKUNCHJ-LBPRGKRZSA-N 314.360 3.195 10 10 DGCE O=C1N=C(N2CCCCCC2)S/C1=C/c1cccc(O)c1 441293 UYABNJFPDIFPKF-SDNWHVSQSA-N 302.399 3.239 10 10 DGCE CCOc1cccc(C(=O)NCc2cccc(Cl)c2O)c1 1606860825 VOHNMZSZXQIDTK-UHFFFAOYSA-N 305.761 3.374 10 10 DGCE CC/C(C)=C/C(=O)N(C)[C@@H](C)CNCc1ccc(OC)c(C)c1 1715336294 SAXWYZRIYYVAMO-DKGMDFAASA-N 318.461 3.296 10 10 DGCE CCOc1cc(/C=C2/SC(=S)N(C(C)C)C2=O)ccc1O 1191831 RRTUVWXKXRQMCN-MDWZMJQESA-N 323.439 3.401 10 10 DGCE O=C(N[C@@H]1CCCc2c(F)cc(F)cc21)c1cccc(O)c1O 1628708449 IFTNKXNZZUNKNN-CQSZACIVSA-N 319.307 3.183 10 10 DGCE Oc1c(Br)cccc1CNC1CC2(C1)CC2(F)F 1118629531 UPGZEPJKPFNEHG-UHFFFAOYSA-N 318.161 3.432 10 10 DGCE C[C@H](N[C@H](C)c1ccccc1O)C(=O)Nc1cccc(F)c1 1560074896 KRNFBGZRBLYUHT-NEPJUHHUSA-N 302.349 3.209 10 10 DGCE COC(=O)CN(CCC(C)(C)C)Cc1cc(Cl)ccc1O 1642071938 MPNLPGAUDVNHRW-UHFFFAOYSA-N 313.825 3.457 10 10 DGCE C[C@@H](CCNC(=O)OC(C)(C)C)C[C@@H](N)c1ccccc1O 1928468371 VSMOLKUYYPFBBL-GXTWGEPZSA-N 308.422 3.333 10 10 DGCE CC(=O)CN(Cc1ccc(C)s1)c1ccc2c(c1)OCCO2 1657615831 OLMRYDBOEFEBNO-UHFFFAOYSA-N 317.410 3.423 10 10 DGCE CC[C@H](Sc1ccccc1)C(=O)NCc1cccc(O)c1O 1593739487 ODMIKWUYSHXWKA-HNNXBMFYSA-N 317.410 3.285 10 10 DGCE Cc1noc([C@@H](N[C@@H](C)c2ccc(N(C)C)cc2)C(C)C)n1 167967064 HNJQVNIDPZSMCI-LRDDRELGSA-N 302.422 3.492 10 10 DGCE [N-]=[N+]=NCCCNC(=O)c1cccc(F)c1Br 156174423 LPJMLQJBWHESHM-UHFFFAOYSA-N 301.119 3.018 10 10 DGCE Oc1cccc(Br)c1CN[C@@H]1C(F)(F)C12CC2 1876228540 NTKZOAKPYAODMN-JTQLQIEISA-N 304.134 3.042 10 10 DGCE C[C@@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CCN1CCCCN=[N+]=[N-] 1962305757 WAIUJBYQIHYQOZ-CHWSQXEVSA-N 311.430 3.407 10 10 DGCE CO[C@@H]1[C@H](NCc2ccc(Br)cc2O)CC1(C)C 1974298510 LANBEAYDYYLBEJ-DGCLKSJQSA-N 314.223 3.058 10 10 DGCE CC(C)N(CCNC(=O)OC(C)(C)C)CCc1ccc(N)cc1 1977924772 DGVAVGSJZZAFCO-UHFFFAOYSA-N 321.465 3.046 10 10 DGCE Oc1ccc(Cl)cc1CNCC1(Br)CCC1 1980137790 MGBCQFDBTGJCGL-UHFFFAOYSA-N 304.615 3.453 10 10 DGCE C[C@H](N(Cc1ccccc1)c1ccc(CO)cc1F)C(C)(C)O 1980746861 BNELGVLNLBIOBS-AWEZNQCLSA-N 317.404 3.484 10 10 DGCE C[C@@H](N[C@@H]1CN(C(=O)OC(C)(C)C)C1(C)C)c1ccccc1O 1989694320 KOWWPGKHITWQBL-IUODEOHRSA-N 320.433 3.441 10 10 DGCE C[C@@H](F)[C@H]1CCCN1Cc1cccc(Br)c1O 2010592256 UZUOPNBCUQLNRI-BXKDBHETSA-N 302.187 3.477 10 10 DGCE CC[C@@H](CNCc1cc(Br)cc(F)c1O)COC 2027331575 LNTZTWRQNSCNIJ-VIFPVBQESA-N 320.202 3.056 10 10 DGCE CCc1nnc(Sc2ncc(CNC(C)C)s2)s1 2037794120 OYCFJOGHZKBIDL-UHFFFAOYSA-N 300.478 3.206 10 10 DGCE CCCN(CCOC)Cc1cc(Br)cc(C)c1O 1233105865 BSKNXECVZCUGPG-UHFFFAOYSA-N 316.239 3.322 10 10 DGCE CCc1nn(Cc2cccc(OC)c2O)c(N)c1C1CCC1 2079637407 OIHKBJVZLPZEGQ-UHFFFAOYSA-N 301.390 3.058 10 10 DGCE CNCc1ccc(N(C)[C@@H]2CCC[C@@H]2F)c(Br)c1 2055372868 KUQXGVRIIJNRHS-GXTWGEPZSA-N 315.230 3.495 10 10 DGCE CO[C@H]1CC[C@H](N(C)Cc2ccc(Br)cc2O)C1 2067114470 NIELFYBGDNIJEB-STQMWFEESA-N 314.223 3.154 10 10 DGCE CN(C[C@H]1C[C@](C)(F)C1)c1ccc(CN)c(Br)c1 2077735153 IGKJMRVCVYOBGI-YPFXGUDJSA-N 315.230 3.482 10 10 DGCE CC1(C)C[C@@H](N)CN(Cc2cc(Cl)cc(Cl)c2O)C1 2090168849 MFDUYJVZYBAQBK-LLVKDONJSA-N 303.233 3.258 10 10 DGCE C[C@]12C[C@H]1CN(c1ccc(C=CC(=O)O)cc1Br)C2 2096039053 SPBGYLHPIROTND-XHDPSFHLSA-N 322.202 3.393 10 10 DGCE OCc1ccc(N2C[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2)c(Br)c1 2224637116 TVXRCQRHBXQFKY-KPWCQOOUSA-N 320.230 3.200 10 10 DGCE CN(Cc1ccccc1O)C(=O)C=Cc1nc2ccccc2o1 2299692309 CACVCARNDPXTCD-UHFFFAOYSA-N 308.337 3.205 10 10 DGCE Cc1ccc(CNC(=O)C(C)(C)C)c(O)c1Br 2307454726 KGBLRWJSAHXXBJ-UHFFFAOYSA-N 300.196 3.125 10 10 DGCE Cc1cc(CN(C)Cc2ccc(C)c(Br)c2O)n[nH]1 2352667049 WHJDWVYXFBUPGC-UHFFFAOYSA-N 324.222 3.127 10 10 DGCE CC1CCC(N(C)c2cc3c(cc2Cl)[C@H](N)C(=O)N3)CC1 118705685 HSDZHTRVKCXWIX-HEEBCNDISA-N 307.825 3.307 10 10 DGCE Oc1ccc(OC(F)(F)F)cc1CN[C@@H]1CCCSC1 2361045246 LFEZTGFIRZDJQU-SNVBAGLBSA-N 307.337 3.276 10 10 DGCE C[C@@H](NCc1ccc(CN(C)C)cc1)c1ccc(F)cc1O 184895407 GBCOQCKVUMYHEX-CYBMUJFWSA-N 302.393 3.444 10 10 DGCE COc1ccc(N2CCCN(C(=O)[C@H]3C[C@@H]3C(C)C)CC2)cc1 185082411 MDIINNIIGHDROT-MSOLQXFVSA-N 316.445 3.026 10 10 DGCE Cc1cc(C(=O)NC[C@@H]2CCCO2)c(C)n1-c1ccccc1F 44863313 DVTBLEJSRGBTBI-AWEZNQCLSA-N 316.376 3.142 10 10 DGCE COc1ccc(Br)cc1COc1cccnc1N 49595730 RFAXHVTZIAZZET-UHFFFAOYSA-N 309.163 3.014 10 10 DGCE C[C@@H](c1ccccc1O)N(C)C(=O)c1cc(N)ccc1Cl 40332834 HCUSQMABDCHUHG-JTQLQIEISA-N 304.777 3.461 10 10 DGCE COc1ccc(CNC(C)(C)C)cc1C[S@](=O)CC(C)C 84033880 ADNSJAAYJITPHF-NRFANRHFSA-N 311.491 3.488 10 10 DGCE Cc1cc(/C=C\C(=O)NCc2cc[nH]n2)c(C)n1-c1ccccc1 255509695 WPTPUYODVQMNQM-HJWRWDBZSA-N 320.396 3.147 10 10 DGCE Cc1nccn1CCCN(C)Cc1cc(Cl)c(F)cc1O 293973720 QVAVLAGQSHNDTD-UHFFFAOYSA-N 311.788 3.212 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)[C@H]1CCOC[C@H]1C 801549473 PGPFJLRRRWFLFZ-ZBFHGGJFSA-N 305.418 3.194 10 10 DGCE CC[C@H](NC1CCC(C(N)=O)CC1)c1cccc(Cl)c1O 806147223 VJBWKUMHXSJNRJ-MGULZYLOSA-N 310.825 3.130 10 10 DGCE COCC[C@@H](COC)N[C@H](C)c1cc(Cl)cc(C)c1O 810257737 UYDTWHWVKAAAID-YPMHNXCESA-N 301.814 3.056 10 10 DGCE COc1nccnc1CN(Cc1ccccc1O)C1CCCC1 823446978 AWYIDWXFVDESFT-UHFFFAOYSA-N 313.401 3.136 10 10 DGCE C[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@@H](C)C1O 827153004 XMPKTBIAXVRHGG-HZPDHXFCSA-N 302.462 3.126 10 10 DGCE C[C@@H](CC(=O)NCCCSc1nccs1)c1cccnc1 734436683 ZAFXQRJYIKRLNL-LBPRGKRZSA-N 321.471 3.330 10 10 DGCE C[C@](CC(=O)O)(NCc1ccc(N2CCCCC2)cc1)C1CC1 901949564 HAMYONKILFYYFS-LJQANCHMSA-N 316.445 3.410 10 10 DGCE CN(Cc1ccccc1O)C(=O)[C@@H]1CCOC2(CCCC2)C1 906990144 APDZZEBEDRDGIQ-CQSZACIVSA-N 303.402 3.090 10 10 DGCE C[C@H](NCc1cccnc1N(C)C)c1ccc(Cl)cc1O 841743607 BGFPOXCFGUYZMR-NSHDSACASA-N 305.809 3.357 10 10 DGCE COC[C@@H]1CCN1Cc1c(O)ccc2oc3c(c12)CCCC3 840083693 QBOWSXXJFIDULY-LBPRGKRZSA-N 301.386 3.238 10 10 DGCE Cc1cc(O)c(CN2CCN(c3ccccn3)CC2)c(Cl)c1 840907997 LUZAIRNEBJBLGT-UHFFFAOYSA-N 317.820 3.071 10 10 DGCE Nc1ccc(NC(=O)N[C@@H](c2ccccc2)[C@H]2CCOC2)cc1 841296704 XQFPPRRWBXEOLG-YOEHRIQHSA-N 311.385 3.168 10 10 DGCE COc1ccc(N(C)CC(=O)N[C@H](C)c2ccc(F)cc2)cc1 844353128 HQRXSCLAVIEVDS-CYBMUJFWSA-N 316.376 3.148 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN(C1CC1)[C@H]1CCNC1 843055684 NERPHKVBJCXVPW-LBPRGKRZSA-N 301.217 3.025 10 10 DGCE CCCC[C@@H](COC)N[C@H]1CCN(c2ccc(OC)cc2)C1 850488902 PDNQXYRPVIPUGU-HOTGVXAUSA-N 306.450 3.069 10 10 DGCE FC(F)(F)[C@H]1CCC[C@H](CNCc2ccc3c(c2)CCO3)O1 922698255 WPXCSGGFJVZAIY-UKRRQHHQSA-N 315.335 3.211 10 10 DGCE FC1(F)C[C@@H]2CC[C@H](C1)N2Cc1ccc(N2CCOCC2)cc1 931161694 DNSYJVNIAMSZPH-CALCHBBNSA-N 322.399 3.285 10 10 DGCE COc1ccc(N(Cc2ccn(C)n2)Cc2ccco2)cc1F 765499649 LALDFSUCQCYWDS-UHFFFAOYSA-N 315.348 3.368 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@@H](C)C3CC(F)(F)C3)C2)cc1 862408059 SHXOEFGKGFQUSJ-GXTWGEPZSA-N 310.388 3.297 10 10 DGCE CCNCc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 204966172 HITDHGXEUYTMOT-UHFFFAOYSA-N 309.457 3.118 10 10 DGCE Oc1cc2c(cc1CN1CCC[C@@H](OC3CCC3)CC1)OCO2 872260932 WRUSOUJIZAJNBX-OAHLLOKOSA-N 319.401 3.045 10 10 DGCE CC(C)c1noc2ncc(C(=O)N3Cc4cccc(O)c4C3)cc12 871198029 DUYRHDNQKZABKB-UHFFFAOYSA-N 323.352 3.208 10 10 DGCE CC[C@@H]1CN(Cc2cc(C)cc(Br)c2O)CCO1 781896679 MHZLNPLZXSLCOL-GFCCVEGCSA-N 314.223 3.074 10 10 DGCE CSc1ncc(CNCc2c(F)ccc(N)c2F)s1 2269310459 ASUUYZHELADXFK-UHFFFAOYSA-N 301.387 3.015 10 10 DGCE COc1ccc(O)c(CNCCCCOCc2ccccc2)c1 390583430 KOUWKYQZDJZOQO-UHFFFAOYSA-N 315.413 3.487 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@@H]3[C@@H](C2)C3(F)F)c(Br)c1 715495310 VAGKVGQWCVHLSK-SZEHBUNVSA-N 317.177 3.170 10 10 DGCE CN(CCCCN(C)c1ccc(N)cc1)C(=O)OC(C)(C)C 1959564717 HCKIXVQNLBXXPB-UHFFFAOYSA-N 307.438 3.352 10 10 DGCE Cc1cccc(F)c1C(=O)NCc1ccc2c(c1)CCCN2C 1319057110 GLSVYAARNDAOQO-UHFFFAOYSA-N 312.388 3.447 10 10 DGCE CC(C)(C)OC(=O)NC[C@]12C[C@H](CCN1c1ccc(N)cc1)C2 1901878624 ZKXIKMUATIFWDX-QGGXVJLZSA-N 317.433 3.152 10 10 DGCE O=C(CC1(C(F)(F)F)CC1)NCCCSc1nccs1 1342361957 IHVUOJYASGPNSR-UHFFFAOYSA-N 324.393 3.474 10 10 DGCE Cc1ncccc1/C=C\C(=O)N1C[C@@H](C)C(=O)Nc2ccccc21 1353942690 PCTUHUFRDQRZFF-ASCRHOAZSA-N 321.380 3.025 10 10 DGCE O=C(/C=C\c1cccnc1)N1CCCc2c(F)c(F)cc(F)c21 1436678391 DZMUKSQIQHHTEF-WAYWQWQTSA-N 318.298 3.492 10 10 DGCE CCC1(CC)CCCN1CC(=O)NCc1ccc(N(C)C)cc1 1460726499 LOSRMLJHBKTBAT-UHFFFAOYSA-N 317.477 3.023 10 10 DGCE COCCC[C@H](C)C(=O)NCc1c(O)ccc2ccccc12 1635965042 JUWITYBTBSWZKE-ZDUSSCGKSA-N 301.386 3.224 10 10 DGCE FC(F)(F)Oc1ccc2c(c1)CCCN2Cc1cnsn1 1644823886 XCRQKUADZGNNQM-UHFFFAOYSA-N 315.320 3.390 10 10 DGCE COc1ccc(N(C)CCN(C)C[C@@H]2CCC(C)(C)O2)cc1 1654113890 BORYRPAMTUGOTH-KRWDZBQOSA-N 306.450 3.021 10 10 DGCE CCC(=O)NC1(CNCc2ccc(OC)c(C)c2)CCCCC1 1675160155 KXWZHKUPNNTFBP-UHFFFAOYSA-N 318.461 3.322 10 10 DGCE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H]([C@H](N)c1ccccc1O)C2 1936973316 GAGCPRWFPAORMO-ZGMNHVEMSA-N 318.417 3.180 10 10 DGCE Cc1ccc([C@H](C)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1 1938281416 NNJPZCPEANYKPA-IHRRRGAJSA-N 320.433 3.407 10 10 DGCE C[C@@H]1[C@@H](C[C@H](N)c2ccccc2O)CCN1C(=O)OC(C)(C)C 1938763274 SCUTUCLROOMCKV-NFAWXSAZSA-N 320.433 3.428 10 10 DGCE Nc1ccc(-n2nnnc2-c2ccc(Cl)c(Cl)c2)cc1 1857876945 YJVJKRPHIISKTD-UHFFFAOYSA-N 306.156 3.218 10 10 DGCE C[C@H]1CCN(CCCCN=[N+]=[N-])CCN1C(=O)OC(C)(C)C 1962288151 RZGCVFQYAXMDSW-ZDUSSCGKSA-N 311.430 3.408 10 10 DGCE C[C@H](N)c1ccc(N2CC[C@](C)(F)C2)c(Br)c1 1946949935 ZVYONUMPHXZEAX-ZANVPECISA-N 301.203 3.407 10 10 DGCE C[C@H](N[C@H]1C[C@@H]1CNC(=O)OC(C)(C)C)c1cc(F)ccc1O 1973222242 MSTFKGCESSPCNO-WDMOLILDSA-N 324.396 3.095 10 10 DGCE CC(C)(C)OC(=O)N1CCCC[C@@H]([C@@H](N)c2ccccc2O)C1 1984321943 ZFQNPDSMPYGUPY-CZUORRHYSA-N 320.433 3.429 10 10 DGCE Cc1nc(Br)sc1CN1CC[C@H](N=[N+]=[N-])C1 1986102790 DFEOLXISDKWCKN-ZETCQYMHSA-N 302.201 3.099 10 10 DGCE C[C@H](N)c1cc(F)c(N(CCCO)Cc2ccccc2)c(F)c1 1990439432 JDZQFKPRKLFQAH-ZDUSSCGKSA-N 320.383 3.374 10 10 DGCE C[C@H](N)c1ccc(N2CCOC[C@@H]2C(F)(F)F)cc1Cl 2150369126 DNIPXLZXEPUNCX-QPUJVOFHSA-N 308.731 3.127 10 10 DGCE C[C@@H]1N(Cc2ccccc2)CC[C@]1(O)c1ccc2c(c1)CCN2C 1999511316 DNAQFEPFMUJINY-HRAATJIYSA-N 322.452 3.161 10 10 DGCE Nc1ccc(CCOC[C@]2(Br)CC2(F)F)cc1 2023777273 LVVGABUZDGZPAF-LLVKDONJSA-N 306.150 3.001 10 10 DGCE Cc1cccc([C@@H](NN)c2ccccc2O)c1Br 2029555206 HKNIPPSNHJGKGC-AWEZNQCLSA-N 307.191 3.016 10 10 DGCE C[C@@H]1CCCC[C@H]1S(=O)(=O)N1CCC[C@@H](N=[N+]=[N-])CC1 2155557796 YBVDWXVGVJHFIC-JHJVBQTASA-N 300.428 3.060 10 10 DGCE C[C@@H]1NC[C@H](C)N(Cc2cc(Cl)cc(Cl)c2O)[C@H]1C 401210515 MXEDUVLOWFTBQX-GUBZILKMSA-N 303.233 3.270 10 10 DGCE CN(Cc1ccsn1)c1ccc(CN)cc1C(F)(F)F 705694690 JAGQRNMLRUJYMF-UHFFFAOYSA-N 301.337 3.257 10 10 DGCE COc1ccc(O)c(CNCc2coc(Br)c2)c1 378973886 LOXOKGGKGNAPCR-UHFFFAOYSA-N 312.163 3.046 10 10 DGCE CCOCCCN(C)c1ccc(CNC)c(Br)c1 382819294 WKVPNRLHYAJBEF-UHFFFAOYSA-N 315.255 3.031 10 10 DGCE CNCc1ccc(N2CC[C@H](SC)C2)c(Br)c1 382898604 BJMVBSSHWZKEDR-NSHDSACASA-N 315.280 3.110 10 10 DGCE C[C@@H](CNCc1cc(Br)cc(F)c1O)C1CC1 715746561 REGKAQSIVMRGKD-QMMMGPOBSA-N 302.187 3.430 10 10 DGCE CC1(C)[C@H](NCc2ccc3c(c2)CCO3)CCCC12OCCO2 2173009865 IDZWDNILTZBXDW-QGZVFWFLSA-N 317.429 3.033 10 10 DGCE CC[C@H](c1ccc(OC)cc1O)n1nc(C(C)(C)C)c(N)c1N 2079843299 DZEXBUXDRLKQHL-GFCCVEGCSA-N 318.421 3.059 10 10 DGCE CN(C[C@H]1CC12CC2)c1cc(Br)c(CN)cc1F 2047199371 VLRUOZFBVIJFRN-SNVBAGLBSA-N 313.214 3.283 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCC[C@H]2NCC[C@H]21 2087391036 ZEWAXQASFWJBLO-CHWSQXEVSA-N 301.217 3.025 10 10 DGCE C[C@H](c1ccc(Cl)cc1O)N1CCC[C@]12CC[S@@](=O)C2 2203360254 HDHLLGDABCLXGI-CVWILIBFSA-N 313.850 3.094 10 10 DGCE COc1ccc(Br)c(CN(C)CC(C)(C)F)c1O 2220480713 AXAJPYJBUSKHKQ-UHFFFAOYSA-N 320.202 3.343 10 10 DGCE CC1(C)CCN(Cc2cc(Cl)cc(Cl)c2O)CCN1 2231336978 NMPKBAXTQLURTQ-UHFFFAOYSA-N 303.233 3.273 10 10 DGCE CN(C)c1ccc(OCc2ccc(Br)nc2)cc1 2221884613 NSKBFEOFGDYQPV-UHFFFAOYSA-N 307.191 3.489 10 10 DGCE CC1(C)[C@H]2C[C@@H]2CN1c1ccc(CN)c(Br)c1F 2257012092 DZLBWKHDJSXXKO-ZJUUUORDSA-N 313.214 3.282 10 10 DGCE CCCN1C(=O)C(=Cc2ccc(OC)c(OC)c2)SC1=S 2294498818 FCJCZGSWJFPWKU-UHFFFAOYSA-N 323.439 3.315 10 10 DGCE COc1cc([C@@H](C)NCc2cnc(SC)s2)ccc1O 2284704890 YVLVHYQPQPIGQV-SECBINFHSA-N 310.444 3.430 10 10 DGCE Cc1ccc(CNC[C@@]2(F)C[C@H]2C)c(O)c1Br 2307572255 XRZLNXXJKXYIKZ-RNCFNFMXSA-N 302.187 3.301 10 10 DGCE Cc1ccc(CN2CC[C@H](N=[N+]=[N-])C2)c(O)c1Br 2327798869 NKZIPWPXFKVEOX-JTQLQIEISA-N 311.183 3.348 10 10 DGCE COC(C)(C)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 171587956 LKIAUVPCUFGXDU-UHFFFAOYSA-N 304.434 3.060 10 10 DGCE CCN(c1ccc([C@H](C)N)cc1Br)[C@H]1CCOC1 310909015 QIRBSEAZBIJCGC-JQWIXIFHSA-N 313.239 3.084 10 10 DGCE C[C@@H](Nc1ccccc1S(C)(=O)=O)c1ccc(F)cc1O 62747361 FZAHFVKECXWHLF-SNVBAGLBSA-N 309.362 3.108 10 10 DGCE COc1cccc(CN(C)Cc2nc3ccc(C)cc3[nH]2)c1O 67974448 UYJJJTLMQOACAS-UHFFFAOYSA-N 311.385 3.218 10 10 DGCE CCn1cc(Br)cc1C(=O)Nc1ccc(N)cc1 63063544 XQWNLABGFUZOLF-UHFFFAOYSA-N 308.179 3.105 10 10 DGCE C[C@H](Nc1ccc2oc(=O)n(C)c2c1)c1ccc(N(C)C)cc1 183084918 AYVKKBIWPPJWCK-LBPRGKRZSA-N 311.385 3.371 10 10 DGCE COc1ccc(O)c([C@@H](C)N[C@H]2CCN(CC3CCCC3)C2)c1 185595101 XNKKVKHSKIAAIL-ZBFHGGJFSA-N 318.461 3.316 10 10 DGCE CN1CCc2cc([C@H]3Nc4ccccc4C(=O)N3C3CC3)ccc21 130148306 CVNZBCRECJQELN-IBGZPJMESA-N 319.408 3.408 10 10 DGCE CCCN(Cc1cc(Cl)cc(OC)c1O)[C@H]1CCCNC1 229103649 QNAVMZCBCWMPKG-AWEZNQCLSA-N 312.841 3.018 10 10 DGCE Cc1cc(N2CCN(Cc3ccccc3)C[C@H]2C)ccc1CN 382658437 DBRIDSNNUBYFOJ-QGZVFWFLSA-N 309.457 3.164 10 10 DGCE N[C@@H](c1ccc(OCc2ccccc2)cc1O)C1CCOCC1 95825995 LHIUHZBRFUXIIH-LJQANCHMSA-N 313.397 3.398 10 10 DGCE CC[C@]1(C)C[C@@H]1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 246096043 LRSXDKMQYIBYHE-GPMSIDNRSA-N 317.429 3.336 10 10 DGCE Cc1cc(/C=C\C(=O)NCC2(C)COC2)c(C)n1-c1ccccc1 255864115 YAMRBKCYGRFRJT-KTKRTIGZSA-N 324.424 3.260 10 10 DGCE Cc1ccc(C(=O)N2CC[C@@](C)(c3ccccc3)C2)c(O)c1O 371579415 JZDWJNPCLIHAMM-LJQANCHMSA-N 311.381 3.210 10 10 DGCE COCC[C@@H](COC)N(C)[C@@H](C)c1cc(Cl)ccc1O 2165962314 ZGIWIRFHAZOKHD-AAEUAGOBSA-N 301.814 3.090 10 10 DGCE Cc1ccccc1[C@@H](O)CNCc1cc(Cl)c(F)cc1O 293670238 QNLRDQCKHNFWSN-INIZCTEOSA-N 309.768 3.316 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)NCCCCN(C)C 729628251 XKIBWMYQKIYASD-UHFFFAOYSA-N 319.474 3.227 10 10 DGCE Cc1cc(O)c(CNC2CCN(C(=O)C(C)C)CC2)cc1Cl 825096046 BOQOCXZUNGUVJT-UHFFFAOYSA-N 324.852 3.091 10 10 DGCE CCN1CC[C@H]2CC[C@@H](C1)N2C/C=C\c1ccc(N(C)C)cc1 835029518 RAIUILPJCBTQIE-XSXCZSQGSA-N 313.489 3.324 10 10 DGCE CN(C)c1ccc(/C=C\CN2CC[C@@H]3[C@H](CCCN3C)C2)cc1 835030454 YEHVCRBYEANRCM-FTKDCLMVSA-N 313.489 3.182 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCO[C@@H](c3ccco3)C2)cc1 835027978 HUGOUPQXWQQPOO-SIEMBAAWSA-N 312.413 3.432 10 10 DGCE CCOc1cccc(CN[C@@H](c2ccccc2F)[C@@H](C)O)c1O 846019163 XWZHYEMRYDFNSU-SJKOYZFVSA-N 319.376 3.142 10 10 DGCE COc1ccc(O)c([C@@H](C)NCc2ccc([N+](=O)[O-])cc2C)c1 845971451 KMKOEHIPYVTFCS-GFCCVEGCSA-N 316.357 3.468 10 10 DGCE C/C(=C/c1ccncc1)C(=O)NCc1ccc(N2CCCC2)cc1 847338744 LHIBOYYNVGKNEV-PEZBUJJGSA-N 321.424 3.402 10 10 DGCE CN(C)c1ccc(CN(C(=O)CCOCC2CC2)C2CC2)cc1 751227402 HLECUOOKTSKQQY-UHFFFAOYSA-N 316.445 3.060 10 10 DGCE COc1ccc(O)c(CNCc2cccc(OC3CC3)c2F)c1 850137810 WZIQLMWAZGNAPB-UHFFFAOYSA-N 317.360 3.371 10 10 DGCE C[C@](CCCCSc1nccs1)(NC1CC1)C(=O)O 45596408 YADYHKUIDUIOTJ-CYBMUJFWSA-N 300.449 3.001 10 10 DGCE C[C@@H](NCc1cc(C(F)(F)F)nn1C)c1cc(F)ccc1O 926927268 GCIJEKOJYADYMY-MRVPVSSYSA-N 317.286 3.134 10 10 DGCE CN(C)c1ccc(/C=C/CNC[C@H]2CCN2C2CCCC2)cc1 858286210 UUQCXUXSFUZVJB-RRFGBZISSA-N 313.489 3.372 10 10 DGCE COc1cccc(O)c1CN[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]21 858214193 LXUNPZGDLJSDBL-DOPJRALCSA-N 315.800 3.482 10 10 DGCE COc1ccc(N2CC[C@@H](NCC3(OC)CCCCC3)C2)cc1 850346942 LJUPUEQMZNYAGZ-MRXNPFEDSA-N 318.461 3.213 10 10 DGCE CC(C)(C)c1cc(O)c(O)c(CN2CCO[C@@](C)(C3CC3)C2)c1 853528161 LYBUOOBFNBIICX-LJQANCHMSA-N 319.445 3.396 10 10 DGCE C[C@H](c1cc(Cl)ccc1O)N1CCO[C@](C)(C(F)F)C1 698949435 JJHYSSNUKTWWHM-OTYXRUKQSA-N 305.752 3.463 10 10 DGCE C[C@@H](CC(=O)NCc1ccc2cccnc2c1O)C(F)(F)F 862025406 MTAHBKHXWVSMCP-VIFPVBQESA-N 312.291 3.145 10 10 DGCE C[C@@H](N[C@@H]1CCCOC1)c1ccc(N2CCOCC2)cc1Cl 765834816 HTKGCIFPXDUGMX-ZIAGYGMSSA-N 324.852 3.006 10 10 DGCE COc1ccc2c(c1)CCCN2Cn1ccc(Br)n1 767976952 BFMSQRPCEJYTTI-UHFFFAOYSA-N 322.206 3.065 10 10 DGCE COC(=O)C1=CC[C@H](N[C@H]2C[C@@H](C)c3c(C)ccc(O)c32)C1 1118808640 UMCVOWNKJSXZIQ-XBFCOCLRSA-N 301.386 3.100 10 10 DGCE OCC[C@@H](NCc1cc(Cl)cc(F)c1O)c1ccccc1 776208778 DPWKZYBDQSWPMR-OAHLLOKOSA-N 309.768 3.398 10 10 DGCE CN1CCN(c2ccc(CN[C@@H]3CC4CCC3CC4)cc2)CC1 771848950 VQDAEEIICVFHTC-OUNSHVDWSA-N 313.489 3.107 10 10 DGCE O=C(c1cc(O)cs1)N1CCCC[C@H](C2CCOCC2)C1 882911192 MZBFYOSCQKGLQJ-ZDUSSCGKSA-N 309.431 3.123 10 10 DGCE COc1ccc(CN2Cc3cccc(O)c3C2)c(F)c1OC 895449040 DKOJOUWCVAOFOC-UHFFFAOYSA-N 303.333 3.064 10 10 DGCE COc1cc(C)cc(CNCCc2noc3ccccc23)c1O 895227633 YOWUTPFARCAUQQ-UHFFFAOYSA-N 312.369 3.183 10 10 DGCE CC[C@H]1OCC[C@@H]1CNCc1c(O)cccc1Br 706871584 KDRSRVOTOAMSKX-QMTHXVAHSA-N 314.223 3.059 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](Nc3ccc(N)cc3)C[C@H]21 1959360274 ANLJDMZWQBSKTM-RBSFLKMASA-N 303.406 3.079 10 10 DGCE CN(Cc1cc[nH]n1)Cc1ccc(N(C)C)cc1C(F)(F)F 792818605 CLYSDSCAFYMMIM-UHFFFAOYSA-N 312.339 3.127 10 10 DGCE C[C@@H]1C[C@H](NCc2cc(Br)cc(F)c2O)[C@@H]1C 715826796 JFYVYDVAWMGADL-RWYTXXIDSA-N 302.187 3.428 10 10 DGCE C[C@H](C[C@@H](O)c1ccc(N(C)C)cc1)NC(=O)OC(C)(C)C 1959572047 WCOVJVVTMWSOGM-IUODEOHRSA-N 308.422 3.089 10 10 DGCE CCCN(Cc1ccc(Br)cc1O)[C@@H]1CCOC1 691680903 WJTQHLJGVGNOFU-CYBMUJFWSA-N 314.223 3.156 10 10 DGCE Cc1cnc(C(=O)N2CCC(N=[N+]=[N-])CC2)c(Br)c1 1911243883 JQUBGHAKPYTFMJ-UHFFFAOYSA-N 324.182 3.067 10 10 DGCE [N-]=[N+]=N[C@@H]1CCN(C(=O)c2cc(Br)cn2C2CC2)C1 1912179661 STEWWCWMSDRLHS-SECBINFHSA-N 324.182 3.110 10 10 DGCE CCN(CCSC)c1ccc(CNC)c(Br)c1 1917015732 ALLCFLAOYLLHAB-UHFFFAOYSA-N 317.296 3.358 10 10 DGCE O=C(NC[C@@H]1C[C@H]1C1CCCC1)N1Cc2cccc(O)c2C1 1521342136 CVEQTRWBHFUNKE-GJZGRUSLSA-N 300.402 3.244 10 10 DGCE CCc1ccc(CCNC(=O)c2ccc(N=NC(N)=O)cc2)cc1 1465287826 JEXUQAUIWCEVGK-UHFFFAOYSA-N 324.384 3.384 10 10 DGCE CC[C@@H](C)c1nnc(N(C)Cc2ccccc2O)n1C1CC1 1495138151 UFLUZWNZLMGVGM-GFCCVEGCSA-N 300.406 3.469 10 10 DGCE C[C@@H](NCc1ccc(Br)cn1)c1ccc(O)cc1O 1927137959 RKFZCQLKHIIAFC-SECBINFHSA-N 323.190 3.106 10 10 DGCE CCCCOC(=O)[C@H](C)N(Cc1ccc(N(C)C)cc1)C1CC1 1641554057 BTPYIZCAJZTYAL-HNNXBMFYSA-N 318.461 3.449 10 10 DGCE CC(C)CCC1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1595502275 DGHMITHEKUSVKX-UHFFFAOYSA-N 305.418 3.315 10 10 DGCE COc1ccccc1NC[C@H](O)COc1ccc(Cl)cc1 5586877 IKYGFXICZJTZGC-ZDUSSCGKSA-N 307.777 3.200 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C[C@H](N)c1ccccc1O 1936988120 ZAXDJEAROUGTPY-IPYPFGDCSA-N 320.433 3.285 10 10 DGCE CN[C@H](C)c1ccc(N2CC(C)(F)C2)cc1Br 1944788658 CVECIZPJRBTXPM-SECBINFHSA-N 301.203 3.278 10 10 DGCE Nc1ccc(CN2CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 2003107890 HEUSKCWXMGZSLO-VQTJNVASSA-N 321.468 3.223 10 10 DGCE CN(C)c1ccc([C@H](N)c2nscc2Br)cc1 1999511074 ATOVIMFJUQVUJM-NSHDSACASA-N 312.236 3.020 10 10 DGCE CN(C)c1ccc([C@H](N)c2ncc(Br)s2)cc1 1999536469 KUOFZITYIUOGCX-NSHDSACASA-N 312.236 3.020 10 10 DGCE N[C@@H]1CCc2cc(N(Cc3ccccc3)[C@H](CO)C3CC3)ccc21 2012693025 WGELIAAMIZZGTR-NHCUHLMSSA-N 322.452 3.410 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](NCc2ccccc2O)CC1 707915786 ITUDBURAHQPECU-GASCZTMLSA-N 320.433 3.318 10 10 DGCE CN(Cc1cccc(Br)c1O)C[C@@]1(C)CCOC1 687527596 JIVQURJBVMOPPE-CQSZACIVSA-N 314.223 3.013 10 10 DGCE CC[C@H]1C[C@H](N(C)Cc2cccc(Br)c2O)CO1 711183181 VLBOMSMMDZOUSP-RYUDHWBXSA-N 314.223 3.154 10 10 DGCE Cc1ccc(CNCc2cc(Br)cc(F)c2O)o1 715795068 GPIFEQZYEPBAPP-UHFFFAOYSA-N 314.154 3.485 10 10 DGCE Nc1ccc(CCC(=O)N2CC[C@H](OCc3ccccc3)C2)cc1 383934318 GMSAURVBFTWTKS-IBGZPJMESA-N 324.424 3.019 10 10 DGCE CN(Cc1nccs1)c1ccc(CN)cc1C(F)(F)F 387196579 HZAFMEVCOBJSLF-UHFFFAOYSA-N 301.337 3.257 10 10 DGCE Oc1c(Br)cccc1CN[C@H]1CCCC1(F)F 397931395 BULULHQRMDGFMB-JTQLQIEISA-N 306.150 3.432 10 10 DGCE Cc1cccc(Cn2nc(C=O)c(Cl)c2C(F)(F)F)c1O 2079226921 YUCFZFLTEWQVJX-UHFFFAOYSA-N 318.682 3.430 10 10 DGCE CNCc1ccc(N(C)[C@H]2CCC[C@@H]2F)c(Br)c1 2055372869 KUQXGVRIIJNRHS-JSGCOSHPSA-N 315.230 3.495 10 10 DGCE C[C@@H](O)c1cc(F)c(N2CC[C@H](P(C)(C)=O)C2)c(F)c1 2194511369 MRZHJPMZOSJZOM-KOLCDFICSA-N 303.289 3.220 10 10 DGCE CC[C@@H](C)NCc1cnc(SCCN(CC)CC)s1 2231442466 VHCKERDGLJQRKV-GFCCVEGCSA-N 301.525 3.465 10 10 DGCE C[C@@H](O)c1ccc(N2CC[C@@H]3C[C@@]3(F)C2)cc1Br 2222657964 PWAKARYRKJEAPF-GPCCPHFNSA-N 314.198 3.441 10 10 DGCE C[C@@H](Nc1cnccc1Br)c1cc(O)ccc1O 2264160159 NLBBZHPPOORWGH-MRVPVSSYSA-N 309.163 3.428 10 10 DGCE COc1ccc(N2CCCN(C(=O)C=C(C)C3CC3)CC2)cc1 2297361840 MOIXDYAFPQFFOG-UHFFFAOYSA-N 314.429 3.090 10 10 DGCE CC(C)(CNC(=O)C=Cc1ccc(O)c(O)c1)C1CCCC1 2308005691 ABNFBOGEILVOAF-UHFFFAOYSA-N 303.402 3.444 10 10 DGCE O=C1C(=Cc2cc(Cl)ccc2O)SC(=S)N1C1CC1 2323858281 BAGFNSBIYSKKHC-UHFFFAOYSA-N 311.815 3.409 10 10 DGCE CC[C@@H](CN(C)Cc1ccc(C)c(Br)c1O)OC 2327572420 VANIUDQNCYUDIF-LBPRGKRZSA-N 316.239 3.320 10 10 DGCE Cc1ccc(CN[C@@H]2CC[C@@H](C)OC2)c(O)c1Br 2327800311 ITIJXDOOCHICET-ZYHUDNBSSA-N 314.223 3.120 10 10 DGCE Nc1ccc(Nc2cccc(I)c2)nc1 8418283 JBHHBWIESGGHLD-UHFFFAOYSA-N 311.126 3.012 10 10 DGCE Cc1ccc(NC=C2C(=O)OC3(CCCCC3)OC2=O)cc1 103780248 JVDZMOUORRTRNH-UHFFFAOYSA-N 301.342 3.051 10 10 DGCE C[C@H](N[C@@H](CN(C)C)c1ccccc1)c1cc(F)ccc1O 176981338 NJTVFJJHXQXRBT-GUYCJALGSA-N 302.393 3.485 10 10 DGCE CCc1ncc2c(n1)CN(Cc1ccc(N(CC)CC)cc1)CC2 128310474 CEERXZPUJBIKIF-UHFFFAOYSA-N 324.472 3.444 10 10 DGCE CCN(CC)c1ccc(CNc2cncc(C(=O)OC)c2)cc1 181721764 JBVIVDARNQPWJL-UHFFFAOYSA-N 313.401 3.327 10 10 DGCE C[C@H](NC[C@H](C)N(C)C(=O)OC(C)(C)C)c1ccccc1O 283187802 KICITJKRFQYRCW-STQMWFEESA-N 308.422 3.298 10 10 DGCE [N-]=[N+]=NCCCNC(=O)c1cc(F)ccc1Br 42012896 UDFXKQOSWGAENH-UHFFFAOYSA-N 301.119 3.018 10 10 DGCE CCCN[C@](CSc1nccs1)(C(=O)O)[C@@H]1CC1(C)C 2366585637 IMBCJVNNHYKIOP-YGRLFVJLSA-N 314.476 3.104 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@@H](C)[C@@H](O)c2ccc(F)cc2)c1 248520884 RFLODBQJAXSQFW-OAVHHTNSSA-N 319.376 3.313 10 10 DGCE CN1CC[C@H](NCc2ccc(N3CCCC3)cc2)[C@H]2CCC[C@@H]21 367615546 LIFCDHOHLJOCRG-AABGKKOBSA-N 313.489 3.249 10 10 DGCE O=C(O)/C=C/c1ccc(N2CC[C@@H]3C[C@H]32)c(Br)c1 707062593 RPNFKNYDZRQJED-WQLMKKEISA-N 308.175 3.146 10 10 DGCE CN(C)c1ccc([C@@H](CCCOCc2ccccc2)NN)cc1 719174055 CHDHTUWGDKLZQL-LJQANCHMSA-N 313.445 3.254 10 10 DGCE COc1ccc(N2CCC(N[C@H](C)C(C)(C)OC)CC2)cc1 815573397 ITWQMBBERUTYBS-CQSZACIVSA-N 306.450 3.067 10 10 DGCE CCOc1ccc(O)c(CN2CCC(=O)Nc3ccccc32)c1 811508345 MPJZKSRHBOHQBD-UHFFFAOYSA-N 312.369 3.140 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCCCC[C@@H]1N 825942853 MQZUPHFHAMJPDF-MSOLQXFVSA-N 317.477 3.009 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)NC2CCCCC2)cc1 844279169 DUPQFJNUQBWBQS-UHFFFAOYSA-N 319.449 3.106 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H](F)C[C@H]1c1ccc(N)cc1O 1953062332 FPARQKUJVISDEI-MFKMUULPSA-N 310.369 3.385 10 10 DGCE COc1cc(Cl)cc(CN[C@H]2CNc3ccccc3C2)c1O 844904850 CYJNRIZPPCPTAQ-CQSZACIVSA-N 318.804 3.181 10 10 DGCE CN1CCCc2cc(CN[C@@H]3CC[C@H]4COCC[C@@H]4C3)ccc21 921625298 KIPMWMYCYBQSMA-NZSAHSFTSA-N 314.473 3.364 10 10 DGCE C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1C[C@H]1C1CC1 858100472 HULVREKQKSYOEZ-JQFCIGGWSA-N 318.436 3.187 10 10 DGCE Oc1ccccc1CN(CC1C[C@@H]2C[C@H]2C1)C[C@@H]1CCCO1 851841368 PUKGCEFSOLFVSS-KURKYZTESA-N 301.430 3.419 10 10 DGCE Cc1ccc(O)c([C@@H](C)NCC2(CC(N)=O)CCCCC2)c1 850574403 YAAXAYZKLKWNNW-CQSZACIVSA-N 304.434 3.177 10 10 DGCE C[C@H](NCC(C)(C)C(=O)N1CCCC1)c1ccc(N(C)C)cc1 858539869 OMHRAGZNZVZTQC-HNNXBMFYSA-N 317.477 3.052 10 10 DGCE [N-]=[N+]=NCCCCCCCCCC(=O)N1CCC[C@H]1C(=O)O 757146076 QICVYWXDMHNURI-ZDUSSCGKSA-N 310.398 3.493 10 10 DGCE CC(C)[C@H]1C[C@@H](CNC(=O)N[C@H](C)c2ccccc2O)CCO1 868671728 CMIOCPSQIUXEAU-JKIFEVAISA-N 320.433 3.204 10 10 DGCE CN(C)c1ccc(CNC(=O)NC2CCC3(CC2)CC3)cc1 765452508 FUSJDQZHOKCYTH-UHFFFAOYSA-N 301.434 3.275 10 10 DGCE COc1ccc(N(C[C@H]2CC3(CC3)C(=O)O2)[C@@H](C)C2CC2)cc1 763730425 RXCWKAKGLNVZKM-SUMWQHHRSA-N 315.413 3.396 10 10 DGCE C[C@H](NC(=O)N1CCC[C@H]1C1CC1)c1ccc(N(C)C)cc1 773615993 CQFHSHQVDIVTJD-GUYCJALGSA-N 301.434 3.398 10 10 DGCE CCO[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](C)c1ccccc1O 875655580 FUWAPSMVZNDWPT-JGGQBBKZSA-N 306.406 3.100 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)[C@@H](O)C1CCCCC1 1597742187 HUZAFKTVDYTCII-SFHVURJKSA-N 313.397 3.103 10 10 DGCE Oc1c(F)cc(Cl)cc1CN[C@]1(c2ccccc2)C[C@H](O)C1 895511995 FDQQQYICSWAFTF-KDYLLFBJSA-N 321.779 3.325 10 10 DGCE Oc1cc(Cl)ccc1CN1CCO[C@H](C(F)(F)F)CC1 1474692664 ANAWLFUNTIXJJO-LBPRGKRZSA-N 309.715 3.199 10 10 DGCE C[C@H](c1cc(O)ccc1O)N(CCC(=O)O)Cc1ccccc1 701263832 FFDFVWGMGYQVDX-CYBMUJFWSA-N 315.369 3.136 10 10 DGCE CCN(CCN(C)C)[C@H](C)c1cc(Br)ccc1O 688951212 ZRKJHTZQCXSPCY-LLVKDONJSA-N 315.255 3.099 10 10 DGCE C[C@@H](CO)[C@@H](C)NCc1ccc2c(c1)CCN2Cc1ccccc1 796311231 VYNCZXYAKJENPV-DLBZAZTESA-N 324.468 3.356 10 10 DGCE C[C@H]([C@H](O)c1ccc(N(C)C)cc1)N(C)C(=O)OC(C)(C)C 1959572603 YDCOAIHUCSHMKX-DOMZBBRYSA-N 308.422 3.041 10 10 DGCE O=CNc1ccc(C(=O)NCc2c(O)ccc3ccccc23)cc1 1157041568 JJNCQZLIFNTYTM-UHFFFAOYSA-N 320.348 3.044 10 10 DGCE Cc1cc(C(=O)Nc2ccc(O)cc2O)c(C)n1-c1ccccn1 1176488996 RNZTVUZJWKVQLR-UHFFFAOYSA-N 323.352 3.153 10 10 DGCE Oc1c(Br)cccc1CNCC(F)(F)C1CC1 1912522745 KRPGRUWBJJFVDL-UHFFFAOYSA-N 306.150 3.290 10 10 DGCE CC(C)[C@@]1(C)C[C@@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 1468806867 BCIBEODESPBHCF-GOEBONIOSA-N 305.399 3.477 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)[C@H](C)CCN(C)C)cc1 1463775196 HPZALXDATUEHII-MRXNPFEDSA-N 319.493 3.079 10 10 DGCE CN(C)c1ccc(CN2CCS[C@@H](C(F)(F)F)C2)cc1 1473800511 MEEGUPVNXBACDK-CYBMUJFWSA-N 304.381 3.232 10 10 DGCE C[C@@H](Cc1ccsc1)NC(=O)c1ccc(N=NC(N)=O)cc1 1543518602 NLUURNDUXLPPEE-JTQLQIEISA-N 316.386 3.272 10 10 DGCE CCC1(C(=O)N(C)CCNCc2ccc(OC)c(C)c2)CCC1 1713623452 GLYIHTGJMCETPU-UHFFFAOYSA-N 318.461 3.132 10 10 DGCE COc1ccc(CC(=O)NCc2cc(Cl)ccc2O)c(C)c1 1639968200 BNADUFANOZHTNW-UHFFFAOYSA-N 319.788 3.222 10 10 DGCE CCN(Cc1cc(Br)ccc1O)C(=O)/C=C\C1CC1 1772899135 HIXHQSDMBSIGKZ-YVMONPNESA-N 324.218 3.469 10 10 DGCE C[C@@H](C1CC1)n1nccc1NC(=O)N(C)Cc1ccccc1O 156539558 VBZKHXLPPTVOMK-LBPRGKRZSA-N 314.389 3.224 10 10 DGCE COC(=O)c1ccc(N=c2[nH]c3cc(C)c(C)cc3o2)c(O)c1 1859859192 FFLRIJURNFZRBU-UHFFFAOYSA-N 312.325 3.102 10 10 DGCE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1CCCN=[N+]=[N-] 1962287139 FUFHBQKJRBKBPW-CHWSQXEVSA-N 311.430 3.455 10 10 DGCE C[C@H]1C[C@@H](CCNC(=O)OC(C)(C)C)CCN1CCN=[N+]=[N-] 1962303464 HPOKDKKNIQWLFV-STQMWFEESA-N 311.430 3.312 10 10 DGCE C[C@H](N[C@@H]1CCCC2(CC1)OCCO2)c1ccc(N(C)C)cc1 1967519133 BRKGCSHYBXXBLZ-DOTOQJQBSA-N 318.461 3.479 10 10 DGCE Oc1c(Br)cc(Cl)cc1CN[C@@H]1CC1(F)F 1969322837 KFAAAPLDTWIGJK-MRVPVSSYSA-N 312.541 3.305 10 10 DGCE Oc1c(Br)cccc1CN[C@@H]1C[C@@]12CC2(F)F 2004620227 VUUBVRFNVKUPSA-MWLCHTKSSA-N 304.134 3.042 10 10 DGCE CN(C)c1ccc([C@@H](N)C2CC(NC(=O)OC(C)(C)C)C2)cc1 1977945047 LVRXSZBEDYYSRH-ZBCRRDGASA-N 319.449 3.056 10 10 DGCE CC(C)(C)OC(=O)N1CCN(CCCCCCN=[N+]=[N-])CC1 2059104184 VRMQNRZELNJKNH-UHFFFAOYSA-N 311.430 3.410 10 10 DGCE NCc1c(C2CC2)nn(Cc2c(O)cccc2F)c1C(F)F 2078983933 LOACPRYLBGFWLP-UHFFFAOYSA-N 311.307 3.050 10 10 DGCE CCC[C@@H]1COC[C@H]1N(C)c1cc(Cl)c(CN)cc1F 2177383662 PGYJCPOEZMMKTP-MEBBXXQBSA-N 300.805 3.189 10 10 DGCE CNCc1ccc(N(C)C[C@@H]2C[C@H]2CF)cc1Br 2071378863 HRWHBHBVVRHVDY-RYUDHWBXSA-N 315.230 3.210 10 10 DGCE CCN(C[C@@]1(Br)CC1(F)F)c1ccc(CN)cc1 2082491755 FDTUPRLVFIUMRQ-LBPRGKRZSA-N 319.193 3.144 10 10 DGCE C[C@H](O)CN(Cc1ccccc1)c1ccc2c(c1)OCCCO2 2210905923 POCOTDYKDULMBV-HNNXBMFYSA-N 313.397 3.235 10 10 DGCE CSc1ncc(CNc2nc3ccccc3nc2N)s1 2284690318 JEZSOQQTUQZIBV-UHFFFAOYSA-N 303.416 3.003 10 10 DGCE COC[C@@H](CN(C)[C@@H](C)c1cc(Cl)c(C)cc1O)OC 2286442544 HYJQLCALPHWFFE-NWDGAFQWSA-N 301.814 3.008 10 10 DGCE CC[C@H](Nc1cscc1S(C)(=O)=O)c1ccccc1O 2288487285 UQEROTVNGNDWND-NSHDSACASA-N 311.428 3.420 10 10 DGCE O=C(C=Cc1cncc(F)c1)N1CCOc2ccc(Cl)cc21 2297669790 YYRGEDSCIQGNMR-UHFFFAOYSA-N 318.735 3.313 10 10 DGCE CCCc1nnsc1CN(C)c1ccc(CN)cc1Cl 2361118363 YLZDBPWJNOHFJA-UHFFFAOYSA-N 310.854 3.239 10 10 DGCE CC(C)C[C@H](CN[C@@H](C)c1ccc(F)c(F)c1O)N(C)C 191197206 MZYGBLAHOHEFHJ-NWDGAFQWSA-N 300.393 3.297 10 10 DGCE CC[C@H](C)CN(CC)c1cc2c(cc1Cl)[C@@H](NC)C(=O)N2 223326701 BHOAGDRWDCNYSP-ZUZCIYMTSA-N 309.841 3.425 10 10 DGCE CCc1nc(CNc2ccccc2C(=O)c2ccccc2)n[nH]1 192587613 QYAMPIFGWRYNAV-UHFFFAOYSA-N 306.369 3.210 10 10 DGCE CCN(CC1CC1)c1ccc(CN)c(Br)c1F 231840100 JOXXHVSGBYIYSS-UHFFFAOYSA-N 301.203 3.283 10 10 DGCE Cc1cc(Br)cc(CN2[C@@H](C)COC[C@H]2C)c1O 180397068 AZZLFXKVPLKBPB-PHIMTYICSA-N 314.223 3.072 10 10 DGCE COC(=O)c1cncc(NCc2c(C)c3ccccc3n2C)c1 344189014 QMZWZUPAFHGPRF-UHFFFAOYSA-N 309.369 3.280 10 10 DGCE CC1=NC(=O)[C@@H](N=Nc2cccc(C(=O)O)c2)N1c1ccccc1 253981748 QRAKVWRIBCUSQM-HNNXBMFYSA-N 322.324 3.260 10 10 DGCE COc1c([N+](=O)[O-])ccc(CNc2cc(C3CC3)ccn2)c1O 290905267 MKRZTAGCNWDEEU-UHFFFAOYSA-N 315.329 3.194 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCc2cccc(O)c21 815629940 SDNLAQFQWYHDFQ-KRWDZBQOSA-N 324.424 3.113 10 10 DGCE CC1(C)CC[C@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 822554529 YMTOTLHCGATJNX-INIZCTEOSA-N 318.486 3.292 10 10 DGCE C[C@H](N)c1ccc(N(CC(F)F)CC(F)(F)F)c(F)c1 720120333 SFIJBKCADGATOS-ZETCQYMHSA-N 300.246 3.479 10 10 DGCE COc1cccc(O)c1CN(CCN)Cc1cccc(Cl)c1 903953704 JJFPIXSYUASBQY-UHFFFAOYSA-N 320.820 3.015 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCC2(CC2)C1 831923945 AFJTVJLMVXEZLS-GXTWGEPZSA-N 303.402 3.115 10 10 DGCE C[C@H]1C[C@]1(CCOc1ccc(N)cc1)NC(=O)OC(C)(C)C 1952520295 XTRZSANXBOQJMP-SJCJKPOMSA-N 306.406 3.341 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@H](C2CC2)[C@H](CO)C2CC2)cc1 835053481 CXDZFXDHGUZFCD-JGAFRWBPSA-N 314.473 3.153 10 10 DGCE Cc1cc(CC(=O)OCc2ccnn2C)c(C)n1-c1ccccc1 853112277 VPIGRPQDLOVLGA-UHFFFAOYSA-N 323.396 3.114 10 10 DGCE Cc1cc(Cl)cc([C@H](C)NC[C@@H]2CNCCC2(F)F)c1O 925776484 KRXCGBZOZSSTRF-QWRGUYRKSA-N 318.795 3.249 10 10 DGCE C[C@]1(C(=O)O)CCC[C@@H]1NCc1cc(Cl)cc(Cl)c1O 756391002 XGDXABFDEOJPJK-FZMZJTMJSA-N 318.200 3.432 10 10 DGCE CO[C@H]1CC[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 854476033 ZRBOBEYSETWOII-KWQFWETISA-N 318.200 3.130 10 10 DGCE C[C@@H](NC(=O)N[C@@H](C1CC1)[C@@H]1CCCCO1)c1ccccc1O 868750271 ITHYMCUNPZZAPO-DQYPLSBCSA-N 318.417 3.100 10 10 DGCE COc1cccc([C@H](C)NC[C@@H]2C[C@H]2C2CCOCC2)c1O 866539845 QFXYSTKYYCUGAT-NOLJZWGESA-N 305.418 3.114 10 10 DGCE CC[C@@H](NC[C@@H]1CCC2(CCOCC2)O1)c1ccccc1O 878362503 BDQDOQCABBQYKO-GOEBONIOSA-N 305.418 3.161 10 10 DGCE Nc1ccc(Cc2noc(Cc3csc(C4CC4)n3)n2)cc1 872171751 XARAEVIVAKOJCE-UHFFFAOYSA-N 312.398 3.167 10 10 DGCE CCOC(=O)[C@@H]1CC[C@H](NCc2cc(Cl)cc(C)c2O)C1 798089182 LIYSCECLRMOJDO-RISCZKNCSA-N 311.809 3.175 10 10 DGCE Oc1ccc(Cl)cc1CNC[C@@H]1CC[C@@H](C(F)(F)F)O1 722405712 ZXYOZJRKNQMKHN-JQWIXIFHSA-N 309.715 3.245 10 10 DGCE CC1(C)OCC[C@H]1CNCc1cc(Br)ccc1O 693063024 BQFVNIJFIQMUCD-NSHDSACASA-N 314.223 3.059 10 10 DGCE C[C@H](Nc1cnn(C)c1Br)c1ccc(F)cc1O 694163882 BAMUPFQGDJOHFA-ZETCQYMHSA-N 314.158 3.200 10 10 DGCE CC1=NN(c2cccc(C)c2)C(=O)/C1=C/Nc1c(C)n[nH]c1C 1084341786 MBUOCNBAZDKIGE-OQLLNIDSSA-N 309.373 3.053 10 10 DGCE CSc1cccnc1NC(=O)c1ccc(N=NC(N)=O)cc1 1300260810 HETHSIGORVXDAP-UHFFFAOYSA-N 315.358 3.218 10 10 DGCE O=C(NCc1c(O)cccc1O)[C@@H]1C[C@H]1c1ccc(Cl)s1 1156885772 NVUHJXGQGLUCFN-RKDXNWHRSA-N 323.801 3.233 10 10 DGCE Cc1cc(CNC(=O)NOCC2CC2)c(C)n1-c1ccccc1 1312760868 ATQRMLXFUZCJEA-UHFFFAOYSA-N 313.401 3.235 10 10 DGCE CO[C@H]1CCN(Cc2cc(Br)ccc2O)C1(C)C 1914319593 LEQMZOZOBFADBM-ZDUSSCGKSA-N 314.223 3.154 10 10 DGCE O=C(NCc1ccc(O)cc1O)c1cncc(-c2ccccc2)c1 1299572117 AVSFCKJDTKKNPK-UHFFFAOYSA-N 320.348 3.090 10 10 DGCE CCCCC1(C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 1458040320 JEPASKQUFYVCDR-UHFFFAOYSA-N 316.445 3.314 10 10 DGCE Cc1ccc(CN(C)C(=O)c2ccc(N=NC(N)=O)cc2)s1 1464752246 UWOSHFOIVZTREQ-UHFFFAOYSA-N 316.386 3.491 10 10 DGCE CCOc1cc(N[C@H](C)Cc2ccc(N(C)C)cc2C)ncn1 1612500513 JOTXYWKOTWUVMH-CQSZACIVSA-N 314.433 3.293 10 10 DGCE O=C(CSC1CC1)Nc1c(-c2ccccn2)nc2ccccn12 1543447719 SOHGGASACYVVCK-UHFFFAOYSA-N 324.409 3.230 10 10 DGCE CCn1ccc(C(=O)NCc2ccc3cccnc3c2O)c1C 1557124125 WOWXILSEXFIRFS-UHFFFAOYSA-N 309.369 3.000 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc2ccncc12 1556157407 AROFRUWSLRKBRK-GFCCVEGCSA-N 322.364 3.007 10 10 DGCE C[C@H](NC(=O)c1cc2c(cc1O)CCCC2)c1ccccc1O 1557967435 CGIPCHPAWPAUKU-LBPRGKRZSA-N 311.381 3.468 10 10 DGCE COc1ccc(O)c([C@H](C)Nc2ncnc(-c3ccccc3)n2)c1 1559099273 MSPYVUMERBNQNB-LBPRGKRZSA-N 322.368 3.426 10 10 DGCE CN(C)c1ccc([C@H](NC(=O)OC(C)(C)C)C(C)(C)CO)cc1 1927320302 ZJWAAUISFLIYHX-HNNXBMFYSA-N 322.449 3.337 10 10 DGCE Oc1ccccc1CNc1cc(C(F)(F)F)nc(Cl)n1 229338189 QQZVKPPSYDOAJG-UHFFFAOYSA-N 303.671 3.467 10 10 DGCE Cc1ccc(C(C)(C)CNC(=O)c2ccc(C)c(O)c2O)cc1 1632690474 HDEPFYBSZBTFLA-UHFFFAOYSA-N 313.397 3.422 10 10 DGCE COc1ccc([C@H](C)NC(=O)c2c(F)ccc(O)c2O)cc1C 1649026238 UVEAGRDDBSTTAR-JTQLQIEISA-N 319.332 3.045 10 10 DGCE O=C(NCc1c(O)cccc1F)NCc1coc2ccccc12 1682774726 WRGWAEHIIGJPGZ-UHFFFAOYSA-N 314.316 3.277 10 10 DGCE CC(C)(C)OC(=O)Nc1ccc([C@H](N)c2ccccc2O)nc1 1936986281 GJYNAZPYBNBLIE-OAHLLOKOSA-N 315.373 3.182 10 10 DGCE Cc1cccc(NCc2ccc(O)c(O)c2O)c1Br 235906373 JASXIIXRMIPXSK-UHFFFAOYSA-N 324.174 3.486 10 10 DGCE CC(C)c1c[nH]nc1CNCc1cc(Br)ccc1O 1967870293 QAKPJOHDFPTQBX-UHFFFAOYSA-N 324.222 3.291 10 10 DGCE CC(C)[C@@H](CN)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 1977912242 ZGASPWGDPURKEU-MRXNPFEDSA-N 321.465 3.131 10 10 DGCE CCN[C@H](C)c1ccc(N2C[C@@H](F)[C@H](OC)C2)cc1Cl 2146468671 BKQAYRFHMKJCHV-VCTAVGKDSA-N 300.805 3.184 10 10 DGCE CNCc1ccc(N2CCSC[C@@H]2C)c(C(F)(F)F)c1 163721528 ZCMLWNJIMDHOLL-JTQLQIEISA-N 304.381 3.367 10 10 DGCE Nc1ccc(CC(=O)OCc2ccc(Br)cc2)cc1 41098525 JTINLOLBMSOPIL-UHFFFAOYSA-N 320.186 3.317 10 10 DGCE CCNCCN(C)[C@H](CC)c1cc(Br)ccc1O 2032960254 WNNXVPSBASOBIJ-CYBMUJFWSA-N 315.255 3.147 10 10 DGCE CC1(C)CN(c2cc(Cl)c(CN)cc2F)CC(C)(C)O1 2177385046 HPXXPEVSVUBXTL-UHFFFAOYSA-N 300.805 3.332 10 10 DGCE C[C@H]1CCOCC[C@H]1N(C)c1cc(Cl)c(CN)cc1F 2177383423 MPNFTIWKFHXFJB-IINYFYTJSA-N 300.805 3.189 10 10 DGCE CO[C@H]1CCC[C@@H]1N(C)Cc1cccc(Br)c1O 687460534 NBNSLEJOAYQJMG-STQMWFEESA-N 314.223 3.154 10 10 DGCE NCc1cc(C2CCCC2)nn1Cc1cccc(Cl)c1O 2070153892 VZNRTRMVQBTFKS-UHFFFAOYSA-N 305.809 3.407 10 10 DGCE Cc1cnn(Cc2ccc(Cl)cc2O)c1Br 2070300970 PACQAKOMLFUNDN-UHFFFAOYSA-N 301.571 3.361 10 10 DGCE Cc1ccc([C@@H](C2CC2)n2nc(C(C)C)c(CN)c2N)c(O)c1 2078981635 NTYAJOMXADHVQF-QGZVFWFLSA-N 314.433 3.061 10 10 DGCE OCc1c(C2CC2)nn(Cc2c(O)cccc2F)c1C(F)F 2079131780 YVTPKGAQRUJZIQ-UHFFFAOYSA-N 312.291 3.083 10 10 DGCE Cc1cc(O)c([C@H](C2CC2)n2nc(C3CC3)c(N)c2N)cc1C 2079983528 CNSLGGIFCCTIGT-KRWDZBQOSA-N 312.417 3.247 10 10 DGCE CCNCc1ccc(N2C[C@H](OC)C[C@H]2CF)c(Cl)c1 2190231914 HCXCWWFZKBUHBL-QWHCGFSZSA-N 300.805 3.013 10 10 DGCE C[C@H]1CO[C@H](CN(C)Cc2ccc(Br)cc2O)C1 2047489347 AZRUZTQZNWNSIV-MFKMUULPSA-N 314.223 3.012 10 10 DGCE CNCc1ccc(N2CCC(F)(F)[C@@H]2C)c(Br)c1 2051995174 FBSHPTWWLYRWLC-VIFPVBQESA-N 319.193 3.402 10 10 DGCE C[C@H]1CN(c2ccc(CO)cc2Br)CCC1(F)F 2085358896 OVZITJVRIQAUQT-VIFPVBQESA-N 320.177 3.423 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)c1c(Cl)cncc1Cl 2227695127 GBOKLEDMWMKRTQ-ZETCQYMHSA-N 300.149 3.303 10 10 DGCE C[C@@H](N)c1ccc(N(C)C[C@H](F)[C@H]2CCOC2)cc1Cl 2238325107 XQKHKJVFVBRYGV-ZETOZRRWSA-N 300.805 3.171 10 10 DGCE CC[C@@H]1CN[C@@H](C(C)(C)C)CN1Cc1cnc(SC)s1 2284675775 CYNJTEIZFOUYPN-DGCLKSJQSA-N 313.536 3.464 10 10 DGCE O=C(C=Cc1cncc(F)c1)N(Cc1ccco1)c1ccccn1 2297493721 YVRGRXUMFUHLSZ-UHFFFAOYSA-N 323.327 3.455 10 10 DGCE CCc1ccc(CNC(=O)C=Cc2ccc(O)c(O)c2)s1 2307986253 IZMQMPWSMCMXSJ-UHFFFAOYSA-N 303.383 3.051 10 10 DGCE Cc1ccc([C@@H](C)NC(=O)C=Cc2ccc(O)c(O)c2)cc1F 2308002384 YYUZPIRLAULXIA-GFCCVEGCSA-N 315.344 3.436 10 10 DGCE CC1CCN(c2ccc(N=NN3CCCNCC3)cc2)CC1 2330217025 NTNITEJOPHPEHQ-UHFFFAOYSA-N 301.438 3.217 10 10 DGCE CC(C)(C)OC(=O)N1CCCN(N=Nc2cccnc2)CC1 2330249195 HZFIAGZFKCEVLE-UHFFFAOYSA-N 305.382 3.023 10 10 DGCE CCN(c1ccc([C@@H](C)N)cc1Br)[C@@H]1CCOC1 310909021 QIRBSEAZBIJCGC-ZYHUDNBSSA-N 313.239 3.084 10 10 DGCE C[C@H]1C[C@@H]1c1ccc(CCC(=O)NCc2cccc(O)c2O)o1 1347531305 UUVYYJNUKQARTL-FZMZJTMJSA-N 315.369 3.063 10 10 DGCE COC(=O)c1ccc(CN[C@@H](C)c2ccccc2O)cc1OC 179889537 SCKFEHMIYKPMTK-LBPRGKRZSA-N 315.369 3.038 10 10 DGCE CN(C)c1ccc(CNC(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1 66099132 TZFDVQWMLQOJIG-MSOLQXFVSA-N 309.413 3.108 10 10 DGCE Cc1ccccc1[C@H]1C[C@H]1C(=O)NCc1ccc(N(C)C)cc1 127729077 RCBISMMNDBWFSI-RTBURBONSA-N 308.425 3.481 10 10 DGCE Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C\c3cccnc3)NC(=O)CN21 33912396 NTNSIQPVVGVBPT-ZTBDEIDFSA-N 319.408 3.027 10 10 DGCE C[C@H](NC[C@H]1COc2ccccc2O1)c1ccc(F)cc1O 315830186 AEBNMSIJYFGFTA-AAEUAGOBSA-N 303.333 3.022 10 10 DGCE COC(=O)[C@@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1O 122288580 MRBBVGYIMFTWKB-LBPRGKRZSA-N 318.200 3.227 10 10 DGCE Oc1ccc(/C=C/c2nc(-c3ccc4c(c3)CCO4)no2)cc1O 185187905 HZVCNCBBLVNULZ-QHHAFSJGSA-N 322.320 3.253 10 10 DGCE CCCc1ccc(NS(=O)(=O)Cc2ccc(N)cc2)cc1 37287368 CAASYQNDDYRIIT-UHFFFAOYSA-N 304.415 3.163 10 10 DGCE Oc1cc(Br)ccc1CNCC[C@@H]1CCCOC1 529638072 XVKRQOGKBVPNOE-NSHDSACASA-N 314.223 3.061 10 10 DGCE COC(=O)c1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1 96736853 CZEAEVNIYVUWIA-SFQUDFHCSA-N 320.348 3.279 10 10 DGCE Oc1ccc(Cl)cc1CN1CC[C@@H](CNc2ccccn2)C1 92812626 TUSFMOCCJJTBOZ-ZDUSSCGKSA-N 317.820 3.375 10 10 DGCE CCN(C)c1ccc([C@@H](C)NC[C@H]2CCN(C3CC3)C2)cc1 247071035 OIAZLITVAMVKEV-HZPDHXFCSA-N 301.478 3.278 10 10 DGCE Cc1ccc(O)c([C@H](C)NC[C@@H](n2cccn2)C(F)(F)F)c1 527941153 XPACMWZVYBNEMK-SMDDNHRTSA-N 313.323 3.351 10 10 DGCE CN(C(=O)/C=C\c1cnc2ccccc2n1)c1ccccc1F 255310104 YDNGZHWAHGGJRC-KHPPLWFESA-N 307.328 3.445 10 10 DGCE CC[C@H]1CN([C@H](C)c2cc(Br)ccc2O)CCO1 251737785 KRTHABMWZSUNHU-PWSUYJOCSA-N 314.223 3.327 10 10 DGCE Cc1cc(Cl)cc(CNC[C@@H]2COC3(CCCC3)O2)c1O 271765033 ABNQJAKCPMCTJP-CQSZACIVSA-N 311.809 3.129 10 10 DGCE CN1CC[C@@H]2CCN(Cc3cc(Cl)cc(Cl)c3O)C[C@H]21 378469913 DQRIYXVRASZTDU-QMTHXVAHSA-N 315.244 3.225 10 10 DGCE Oc1ccc(F)cc1CN[C@H](c1ccccc1)[C@H]1CCOC1 373142568 UEGOYOXEBRYIOQ-KBXCAEBGSA-N 301.361 3.399 10 10 DGCE O[C@H](CCNCc1ccc(N2CCCCC2)cc1)C(F)(F)F 809743402 QXACWVQPTFGJMK-OAHLLOKOSA-N 316.367 3.080 10 10 DGCE CN1CCc2cc([C@H](N)[C@H](O)c3cscc3Cl)ccc21 2163135494 KDQDSPVJQOJZLC-LSDHHAIUSA-N 308.834 3.127 10 10 DGCE O=C(Nc1ncc(-c2cccnc2)s1)c1cc(O)cs1 807669804 SOQUCKVRTIZZKR-UHFFFAOYSA-N 303.368 3.225 10 10 DGCE COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CC34CC4)c2C)cc1 819625119 MXVGIGDSXQBKMP-QGZVFWFLSA-N 310.397 3.385 10 10 DGCE CC[C@H](NC[C@]1(OC)CCSC1)c1ccc(N(C)C)cc1 903308892 AITMYXPXDVAONZ-DLBZAZTESA-N 308.491 3.315 10 10 DGCE C[C@@H](N[C@H]1COCC1(C)C)c1cccc(C(F)(F)F)c1O 834903932 MGZOPFBYMUDYEK-SKDRFNHKSA-N 303.324 3.487 10 10 DGCE C[C@@H](NCC[C@H](N(C)C)C(F)(F)F)c1c(O)cccc1F 926959318 RHONCEPLKLKZMH-SKDRFNHKSA-N 308.319 3.065 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)OCCC(C)C)C2)cc1 859217548 NQPVIEZWZZIVET-AWEZNQCLSA-N 306.406 3.046 10 10 DGCE Cc1ccc(/C=C/C(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)cn1 754415114 BQWIRLCFRFPAOG-AATRIKPKSA-N 323.352 3.209 10 10 DGCE CC[C@@H](N[C@@H]1CNC[C@H]1C)c1ccc(C(F)(F)F)cc1O 925784390 NDNVRQLQWMHCIV-OASPWFOLSA-N 302.340 3.060 10 10 DGCE CCN(C(=O)OC(C)(C)C)[C@H](CN)c1ccc(N(C)C)cc1 698307670 KYRVRMWDVHHMJR-OAHLLOKOSA-N 307.438 3.009 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CC[C@@H](C2CC2)O1 929527607 SUUCWEOFUHRYQH-ROUUACIJSA-N 316.445 3.059 10 10 DGCE O[C@@H]1C[C@@H](NCc2ccc(N3CCCCC3)cc2)C12CCC2 850389000 RLLGTFYFXVAOLM-QZTJIDSGSA-N 300.446 3.070 10 10 DGCE CO[C@@H](CN(Cc1ccccc1O)C[C@@H]1CCCO1)C1CCC1 851840422 GPXVWIZPXBQFAS-HKUYNNGSSA-N 319.445 3.188 10 10 DGCE COCCN(CCF)C(=O)c1sccc1-n1c(C)ccc1C 855588867 WXZPCAKNTWDWSD-UHFFFAOYSA-N 324.421 3.214 10 10 DGCE C[C@@H](NCc1cccc2c1CCOC2)c1cc(F)ccc1O 866477752 BMPUKVSKOOZOIB-GFCCVEGCSA-N 301.361 3.455 10 10 DGCE CC1(C)COc2ccc(C(=O)N3Cc4cccc(O)c4C3)cc21 871204424 DQDFHYBSSAQZDN-UHFFFAOYSA-N 309.365 3.218 10 10 DGCE CCOc1ccc(CNc2cccc3c2OCC[C@H]3O)c(O)c1 766086522 ZGSUEVOODCRBIJ-MRXNPFEDSA-N 315.369 3.219 10 10 DGCE COc1ccc(N2CCC(NC3CC4(C3)CC4(F)F)CC2)cc1 1118483956 GROISLXRNLWUQC-UHFFFAOYSA-N 322.399 3.441 10 10 DGCE COc1ccc(N2CCN(C(=O)/C(C)=C/C(C)(C)C)CC2)cc1 771869209 VIHGLUHWIOQSRV-CCEZHUSRSA-N 316.445 3.336 10 10 DGCE CCC(CC)(CO)NCc1cc(C)cc(Br)c1O 781631090 HFHXKGLBHQXLJF-UHFFFAOYSA-N 316.239 3.104 10 10 DGCE CN(C)c1ccc(Cc2nccn2Cc2ccccc2O)cc1 82736466 XXJQDDIYRREBKD-UHFFFAOYSA-N 307.397 3.294 10 10 DGCE O=C(NCc1cccc(Cl)c1O)N[C@@H](C1CCC1)C1CC1 895289568 YRUCNGJWOHUDLF-AWEZNQCLSA-N 308.809 3.424 10 10 DGCE Cc1cccc(CNCCCCNC(=O)OC(C)(C)C)c1O 397815806 CGGCYPMOWXCWRT-UHFFFAOYSA-N 308.422 3.095 10 10 DGCE COc1cc(C)cc(CN2Cc3c[nH]nc3CC(C)(C)C2)c1O 895364538 PVPCXUBGCPYXJK-UHFFFAOYSA-N 315.417 3.017 10 10 DGCE c1ccc(-n2nccc2CNCc2ccc3c(c2)CCO3)cc1 790469060 KHBKFVZHQYTPQE-UHFFFAOYSA-N 305.381 3.097 10 10 DGCE Nc1ccc(CNC(=O)c2cscc2C(F)(F)F)cc1 717191407 JAQBIXAMZKLHNK-UHFFFAOYSA-N 300.305 3.279 10 10 DGCE CN(Cc1ccc(N(C)C)cc1C(F)(F)F)C[C@@H]1CCCO1 792776919 KLYGKESFVHNRGL-AWEZNQCLSA-N 316.367 3.382 10 10 DGCE CCc1nc(C(=O)N(CC)Cc2ccc(N(C)C)cc2)c(C)o1 795751534 DXIMKRFUMCISRW-UHFFFAOYSA-N 315.417 3.274 10 10 DGCE Cc1ccc(C(=O)NC2(C)CC2)cc1-n1c(C)cc(C=O)c1C 1146798631 BYRDVTIGINVELB-UHFFFAOYSA-N 310.397 3.497 10 10 DGCE C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(Cl)cc1 1141900233 OJLWWCHBGZBSJH-JTQLQIEISA-N 305.761 3.171 10 10 DGCE OCC1(CNCc2ccc(N3CCCC3)cc2)CC2(CCC2)C1 1321397625 PWKZHZWGYRSOMT-UHFFFAOYSA-N 314.473 3.319 10 10 DGCE CCOC(=O)c1cnc(SCCCOCC2CC2)s1 2128311973 BLUSCIZNKJPXON-UHFFFAOYSA-N 301.433 3.229 10 10 DGCE Cc1cncc(/C=C/C(=O)NCc2cccc(Cl)c2O)c1 1180410833 RJNWGILQBPGCLB-AATRIKPKSA-N 302.761 3.079 10 10 DGCE CCC(=O)N1CCC[C@H](CCNCc2ccc(OC)c(C)c2)C1 1267871395 FQNCYCDFGDHDTJ-MRXNPFEDSA-N 318.461 3.132 10 10 DGCE Cc1cc2ccc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)cn2c1 1447565550 UODZSHKFXDUXSK-CYBMUJFWSA-N 324.380 3.020 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@]1(C)C=CCC1 1529277412 GNTYAJZVIPFPJS-HNAYVOBHSA-N 300.446 3.465 10 10 DGCE O=C(Nc1cc(O)cc(Br)c1)c1cc(O)cs1 1468026878 YUCFUMGZJMAOHF-UHFFFAOYSA-N 314.160 3.174 10 10 DGCE Cc1ccc(CN[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(O)c1 1621257288 IXQQKOQORQLIKL-OAHLLOKOSA-N 320.433 3.190 10 10 DGCE Cc1ccoc1CNC(=O)c1cc2cc(O)c(O)cc2s1 1637049339 FCSWXRYRBBZVQX-UHFFFAOYSA-N 303.339 3.144 10 10 DGCE C[C@H](Nc1c(N)cccc1Br)[C@@H]1C[C@H]2CCO[C@H]21 1926224101 RIXBRUGXUBWMBN-AEISUSGSSA-N 311.223 3.257 10 10 DGCE Cc1ccc(O)c(CNC(=O)C2CC(O)(CCC(C)(C)C)C2)c1 1640796684 KXTKPJSBRXGUGH-UHFFFAOYSA-N 319.445 3.284 10 10 DGCE Cc1ccc2c(c1)S[C@@H](C(=O)NCc1c(O)cccc1F)C2 1646033527 AJPONKSCOWVOJD-MRXNPFEDSA-N 317.385 3.173 10 10 DGCE COc1ccc(CNCCCN(C)C(=O)CC2CCC2)cc1C 1670057059 SHHDEJGDUCCODS-UHFFFAOYSA-N 318.461 3.132 10 10 DGCE O=Cc1cnc(Sc2cncc(Br)c2)s1 1934288797 KLPVHXJGWDFLBM-UHFFFAOYSA-N 301.190 3.264 10 10 DGCE CCc1cccc(C)c1NS(=O)(=O)Cc1ccc(N)cc1 19986825 UBZJCVCCMQPDTL-UHFFFAOYSA-N 304.415 3.082 10 10 DGCE COc1cc(C)cc(CN2CCO[C@H](c3ccsc3)C2)c1O 164488956 QSMYGRBDAYXAJX-INIZCTEOSA-N 319.426 3.344 10 10 DGCE Cc1ccc(/N=N/N2CCN(c3ncccn3)CC2)cc1Cl 1860484978 MNWDLBHJNDHOMF-FMQUCBEESA-N 316.796 3.259 10 10 DGCE CC[C@H]1CCCCN1/N=N/c1ccc2c(c1)OCC(=O)N2C 1860487970 XLIQDYDEPZASRG-BZSIDJSBSA-N 302.378 3.305 10 10 DGCE CC(C)(C)OC(=O)N1CCCN(/N=N/c2cccnc2)CC1 1860488204 HZFIAGZFKCEVLE-ISLYRVAYSA-N 305.382 3.023 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[C@H](N)c2ccccc2O)C1 1936969849 GDVWPDKMWXGSFK-GUTXKFCHSA-N 320.433 3.476 10 10 DGCE CC[C@H]1C[C@@H](NCc2ccc(Br)cc2O)CCO1 826130732 LWQALGGVNSRJCB-STQMWFEESA-N 314.223 3.202 10 10 DGCE Nc1ccc(N(C(=O)COc2ccc(Cl)cc2)C2CC2)cc1 1857926787 AEQUVLFMDSCWJC-UHFFFAOYSA-N 316.788 3.497 10 10 DGCE Oc1c(Br)cccc1CN1C[C@H]2CC[C@@]1(F)C2 1943056061 FALXMRZCMXFCRZ-ZANVPECISA-N 300.171 3.436 10 10 DGCE C[C@@H]1C[C@H](CCNC(=O)OC(C)(C)C)CCN1CCN=[N+]=[N-] 1962303455 HPOKDKKNIQWLFV-CHWSQXEVSA-N 311.430 3.312 10 10 DGCE C[C@@H]1CSCCCN1c1ccc(CN)cc1C(F)(F)F 2143617349 PELZAILOXUCNEB-SNVBAGLBSA-N 304.381 3.496 10 10 DGCE C[C@H]1OCC[C@@H]1CCNCc1ccc(Br)cc1O 1972143521 BQXYHVLNUIFZCB-MNOVXSKESA-N 314.223 3.059 10 10 DGCE CCN(CC)c1ccc([C@](C)(O)CNC(=O)OC(C)(C)C)cc1 1977935940 RYJDPAIECWVNRN-GOSISDBHSA-N 322.449 3.265 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@](N)(c2ccccc2O)C1(C)C 1987923480 JFPFCNPWSYEAFG-SFHVURJKSA-N 320.433 3.356 10 10 DGCE CC(C)(C)OC(=O)NC1CC([C@@H](F)[C@@H](N)c2ccccc2O)C1 1992608171 LOCCVPQTFAVTJM-FBDPFYNOSA-N 324.396 3.033 10 10 DGCE Nc1ccc(CC[C@H](O)c2ccnn2Cc2ccccc2)cc1 1994396572 TUZQHBBRGPVVHL-IBGZPJMESA-N 307.397 3.180 10 10 DGCE Cc1ccc(CN[C@@]23C[C@@H]2CN(Cc2ccccc2)C3)c(O)c1 1994455848 CNECSZZLSOQOTR-UYAOXDASSA-N 308.425 3.065 10 10 DGCE C[C@@H](c1cc(Br)ccc1O)N(C)C[C@@H]1CCOC1 398857995 VTWICYWGSAYAIC-QWRGUYRKSA-N 314.223 3.184 10 10 DGCE COc1ccc(Br)c(CN2CC[C@@H](C)C2)c1O 1231550224 KRWJZKBWTKULTA-SECBINFHSA-N 300.196 3.005 10 10 DGCE CCCN[C@@H](CSc1nccs1)c1csnc1OC 2092420741 YZTLVFCQTUASBU-JTQLQIEISA-N 315.489 3.441 10 10 DGCE CCNCc1ccc(N2C[C@H](OC)C[C@@H]2CF)c(Cl)c1 2190231912 HCXCWWFZKBUHBL-CHWSQXEVSA-N 300.805 3.013 10 10 DGCE CC[C@@]1(C)C[C@H](NCc2ccc(Br)cc2O)CO1 2069118623 UXICESMJLNPIAI-JSGCOSHPSA-N 314.223 3.202 10 10 DGCE CN(C)c1ccc([C@H](N)c2cc(O)ccc2Br)cc1 2106855932 TZOUGVIIQFZPQR-HNNXBMFYSA-N 321.218 3.269 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN(Cc2ncsc2Br)C1 2213763219 CUIBNRCSNICBGX-QMMMGPOBSA-N 316.228 3.428 10 10 DGCE Nc1ccc(OC[C@H]2CC2(Br)Br)cc1 2209431124 NZVDRIGYNWBAPV-SSDOTTSWSA-N 321.012 3.154 10 10 DGCE CC[C@@H](O)CN(CC)Cc1ccc(C)c(Br)c1O 2327628849 LQUJKDHBTAEPRK-GFCCVEGCSA-N 316.239 3.056 10 10 DGCE Cc1ccc(CN[C@H](C)c2nccn2C)c(O)c1Br 2352932160 IVKOFCPHEGGZIH-SNVBAGLBSA-N 324.222 3.047 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)NC2CCC(O)CC2)cc1 3443037 DCOXYWUOXWMROR-UHFFFAOYSA-N 312.413 3.127 10 10 DGCE COc1cc(OC)c(N2[C@@H]3CCC[C@@H]2CC(N)C3)cc1Cl 108030495 LMDPGTFDHOSJIM-VXGBXAGGSA-N 310.825 3.206 10 10 DGCE CC[C@H]1CCN(c2ccc(CN)c(Br)c2F)C1 231840677 QHKCOSAEYDTXAV-VIFPVBQESA-N 301.203 3.283 10 10 DGCE C[C@H](N[C@@H]1CCO[C@@]2(CCSC2)C1)c1cc(F)ccc1O 248521684 ROJDQMRYXHRTCR-GHJWDPDVSA-N 311.422 3.237 10 10 DGCE Cc1cc(C)c([C@@H](C)NCCNC(=O)c2ccccc2)c(O)c1 285361471 VQKJQZJHDGRPMO-OAHLLOKOSA-N 312.413 3.090 10 10 DGCE CCC(C)(C)C(=O)NCc1cc(Br)ccc1O 804739879 WXNMCOUITQYDKY-UHFFFAOYSA-N 300.196 3.207 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)CCc1ccccc1 808094848 GTOMNDAEBJYPLC-UHFFFAOYSA-N 304.386 3.127 10 10 DGCE C[C@H](NCc1cnn(C)n1)c1ccc(N2CCCCCC2)cc1 806168308 IIWLGIPIICMKRK-HNNXBMFYSA-N 313.449 3.046 10 10 DGCE CN(C)c1ccc([C@@H](NN)c2ncc(Cl)cc2Cl)cc1 2163141778 YDYHHTGTFVORFE-CYBMUJFWSA-N 311.216 3.007 10 10 DGCE O=C1/C(=C/c2nccc3c2CCCC3)SC(=S)N1C1CC1 905001000 CCLHIANHLNPVER-ZROIWOOFSA-N 316.451 3.324 10 10 DGCE Cc1nnc([C@@H](C)NC/C=C/c2ccc(N(C)C)cc2)s1 835046928 AJKMQVVFLJPBNW-BTDICHCPSA-N 302.447 3.277 10 10 DGCE Nc1ccc(Cc2noc(-c3cnc(CC4CC4)s3)n2)cc1 904076979 MBPCJTSNGAGKEP-UHFFFAOYSA-N 312.398 3.319 10 10 DGCE CN(C)CC1CCC(NC/C=C/c2ccc(N(C)C)cc2)CC1 835042734 XJVCDNIKLIXNJP-AATRIKPKSA-N 315.505 3.476 10 10 DGCE CN(C)c1ccc([C@@H]2[C@H](N)CCCN2C(=O)OC(C)(C)C)cc1 1952570747 GLZIREVCHSVHGF-HZPDHXFCSA-N 319.449 3.152 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCC[C@@H](N3CCCC3)C2)cc1 835025568 KTTTZRKMPDWNSQ-MWGFUINXSA-N 313.489 3.326 10 10 DGCE Cc1cc(C(=O)O[C@H]2COC(C)(C)C2)c(C)n1-c1ccccn1 849679575 JZTLKACLOZARLL-CQSZACIVSA-N 314.385 3.213 10 10 DGCE CCOc1ccc(N(CC)CC(=O)NC2CCCCC2)cc1 746159009 MNYVUBHVMNRTRI-UHFFFAOYSA-N 304.434 3.361 10 10 DGCE COc1ccc(N2CC[C@H](NCc3sccc3OC)C2)cc1 850346721 IOQNWQJSHSASDL-ZDUSSCGKSA-N 318.442 3.134 10 10 DGCE C[C@@H](NCC1(O)CCC(F)(F)CC1)c1ccc(F)cc1O 850566598 OIBBPOMLHOBTAN-SNVBAGLBSA-N 303.324 3.122 10 10 DGCE Nc1ccc(NC(=O)N2CCC[C@@H](OC3CCC3)CC2)cc1 868162149 DTLRDTPTGPCQHU-MRXNPFEDSA-N 303.406 3.224 10 10 DGCE COC[C@H]1CCCN(Cc2cc(F)c(N(C)C)cc2F)CC1 862390317 CEDDJAFYTGVCMK-ZDUSSCGKSA-N 312.404 3.279 10 10 DGCE NC(=O)c1ccc(CCOc2ccc(N3CCCC3)cc2)cc1 871736438 KQJSIZFBLXPJQG-UHFFFAOYSA-N 310.397 3.007 10 10 DGCE COc1ccc(CNC(=O)C/C=C/c2ccc(C)cc2)c(O)c1 794387571 LGTAVPIDQOKLCY-ONEGZZNKSA-N 311.381 3.429 10 10 DGCE F[C@H]1CCN(c2ccc(CNC3CC3)c(Br)c2)C1 689823862 DZRXKPNRCKHVAM-NSHDSACASA-N 313.214 3.249 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1C[C@H]2Nc1ccc(N)cc1 1959350342 ANLJDMZWQBSKTM-KFWWJZLASA-N 303.406 3.079 10 10 DGCE CC(C)[C@H](CNC(=O)OC(C)(C)C)Nc1c(N)cccc1F 1959373707 MDMZTIAULBGKHC-ZDUSSCGKSA-N 311.401 3.369 10 10 DGCE Cc1ccc(Cl)cc1OCC(=O)NCc1c(O)cccc1F 1156177395 FHZHZJWHPQFYCV-UHFFFAOYSA-N 323.751 3.188 10 10 DGCE Cc1nc2c(c(N(C)Cc3ccc(N(C)C)cc3)n1)CCCC2 1151588884 SBFOKCQELHGKIV-UHFFFAOYSA-N 310.445 3.366 10 10 DGCE CC(=O)c1cc(F)cc(CNC2(CO)CCCCCCC2)c1O 1308017187 JFPPGUZLBCRWJC-UHFFFAOYSA-N 323.408 3.299 10 10 DGCE CC[C@H](NCc1cnn(C)c1Br)c1ccccc1O 2116555398 RVDMTYYHTNDRSM-LBPRGKRZSA-N 324.222 3.129 10 10 DGCE C[C@@H](O)c1ccc(N(C)CCOC2CC2)c(Br)c1 1914520311 HHFXVKGOKPWRJX-SNVBAGLBSA-N 314.223 3.118 10 10 DGCE Cc1ccc(C(F)(F)C(=O)NCc2cc(C)ccc2O)cc1 1453649879 MYHXMIIXMVFSRW-UHFFFAOYSA-N 305.324 3.417 10 10 DGCE CC(C)(C)c1ncc(/C=C\C(=O)N2CCc3cccnc32)s1 1527463044 YYTHLIZEFCVRSE-SREVYHEPSA-N 313.426 3.438 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCc2cnccn2)c1 1607431548 VIGXFTYARCZASE-UHFFFAOYSA-N 320.396 3.123 10 10 DGCE Oc1ccc(CNCc2cc(Br)ccc2O)cc1 227446287 NPEVQCURQCLODD-UHFFFAOYSA-N 308.175 3.150 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNCC1CCC(O)CC1 227646002 JLIRCWFQFBGIDZ-UHFFFAOYSA-N 304.217 3.340 10 10 DGCE CC/C(C)=C/C(=O)NC/C=C\CNCc1ccc(OC)c(C)c1 1716291166 LBIHXQIDHVPDQY-HCVZKXNCSA-N 316.445 3.122 10 10 DGCE CCc1ccc(C(=O)N[C@@H](C)c2ccccc2O)cc1[N+](=O)[O-] 1635799215 UJEFMAXDITYBAI-NSHDSACASA-N 314.341 3.354 10 10 DGCE C[C@@H](CC(=O)NCc1cc(O)ccc1O)c1ccccc1F 1637125647 AHOAMOUIOMYMOW-NSHDSACASA-N 303.333 3.047 10 10 DGCE CCc1cc(NCc2ccc3cccnc3c2O)nc(CC)n1 1642823625 MGGOXPNAEYCNQH-UHFFFAOYSA-N 308.385 3.467 10 10 DGCE C[C@@H](NC(=O)/C=C\c1ccc2c(c1)OCO2)c1ccccc1O 1648892251 SIINHHXECCUURS-ZVTBTPLYSA-N 311.337 3.012 10 10 DGCE CC(=O)c1cc(F)cc(CN2CCC(F)(C3CC3)CC2)c1O 1656365196 RICNNEVHYMPAOO-UHFFFAOYSA-N 309.356 3.448 10 10 DGCE C[C@@H](C(=O)N1Cc2cccc(O)c2C1)c1c(F)cccc1F 1587928066 IJOJCPNXJALNKV-SNVBAGLBSA-N 303.308 3.316 10 10 DGCE CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H]1[C@H](N)c1ccccc1O 1936975281 QAEYZWJHMMHCAV-CABCVRRESA-N 320.433 3.428 10 10 DGCE C[C@@H](CC1CN(C(=O)OC(C)(C)C)C1)NCc1ccccc1O 1938388323 JHNGJNDAVHZTPG-ZDUSSCGKSA-N 320.433 3.127 10 10 DGCE CCCN(CCC)C(=O)CNCc1ccc(N(CC)CC)cc1 1857866636 UXOUAXMTWBPNDF-UHFFFAOYSA-N 319.493 3.271 10 10 DGCE CCNCc1ccc(N2CC(C)(F)C2)cc1Br 1944798747 DZACDYQTJYQREW-UHFFFAOYSA-N 301.203 3.107 10 10 DGCE Cc1c(N)cnc(N(C)Cc2ccccc2O)c1Br 1877532505 GXBVADOTHIWRRI-UHFFFAOYSA-N 322.206 3.077 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]([C@H](N)c2ccccc2O)CC1(C)C 1977520035 SUCKOPGYERNHCS-WFASDCNBSA-N 320.433 3.428 10 10 DGCE CCN[C@H](CN(C)C(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1977947021 ZMRSKHIDAVHBBU-MRXNPFEDSA-N 321.465 3.270 10 10 DGCE CC(C)(C)OC(=O)N1C[C@]2([C@@H](N)c3ccccc3O)C[C@@]2(C)C1 1978994566 QHHNHSYXTMHEGK-WBAXXEDZSA-N 318.417 3.039 10 10 DGCE Oc1ccc(CNCc2ccsc2C(F)(F)F)cc1O 2157652279 IILJOMRLZCEDMS-UHFFFAOYSA-N 303.305 3.468 10 10 DGCE CN[C@@H](c1nc(C)c(Br)s1)c1ccccc1O 2000316853 TVEIPTPVTQXPPW-SNVBAGLBSA-N 313.220 3.228 10 10 DGCE CC[C@H](N)Cc1cnc(Sc2nnc(SC)s2)s1 2037807120 YCOZBFWYJFVNOZ-LURJTMIESA-N 318.518 3.148 10 10 DGCE CN(C)c1ccc(C=Cc2nc(-c3ccccc3O)n[nH]2)cc1 2053514102 BDUNEPAPYGLHOG-UHFFFAOYSA-N 306.369 3.414 10 10 DGCE CCOC(=O)c1cnc(Sc2nc(C)c(C)c(C)n2)s1 380300408 HSHUQUAIKSUSSD-UHFFFAOYSA-N 309.416 3.186 10 10 DGCE Nc1ccc(CCC(=O)OCc2coc(Br)c2)cc1 381094211 ZEMUJZOGGHAOGU-UHFFFAOYSA-N 324.174 3.300 10 10 DGCE C[C@H](c1ccc(F)cc1O)n1nccc1C(=O)OC(C)(C)C 2069972805 HOVZEAXEJZJBOS-SNVBAGLBSA-N 306.337 3.292 10 10 DGCE CN1C[C@H]2[C@@H](Nc3c(N)cccc3Br)CCC[C@H]2C1 2094580254 HOZVJSAZKGJBTP-WDMOLILDSA-N 324.266 3.174 10 10 DGCE CN(C)c1ccc(NCc2cccc(Br)c2O)cn1 48796063 ZMNQCEHOUJMGGV-UHFFFAOYSA-N 322.206 3.228 10 10 DGCE CCCN=c1nc(Sc2nccs2)c2c([nH]1)C[C@@H](C)C2 2202132535 KQGHPLAJVWHKOA-VIFPVBQESA-N 306.460 3.063 10 10 DGCE CCCN[C@](CCC)(CSc1nccs1)C(=O)OCC 2207863541 LDSPUZCQOIKURF-CQSZACIVSA-N 316.492 3.337 10 10 DGCE CSc1ncc(CNCc2cnc(C(C)(C)C)nc2)s1 2284689828 OULFUAVIPYAMSQ-UHFFFAOYSA-N 308.476 3.242 10 10 DGCE CSc1ncc(CN2C[C@H](C(C)C)NC[C@H]2C(C)C)s1 2284676275 HIUZFFKAEOXMQZ-KGLIPLIRSA-N 313.536 3.319 10 10 DGCE CSc1ncc(CN[C@@H]2CCC[C@@H]2[C@H]2CCCCN2)s1 2284687297 FPTJYNCYYCJPFF-MGPQQGTHSA-N 311.520 3.265 10 10 DGCE [N-]=[N+]=NCCCN[C@H](C(=O)O)c1ccc(C(F)(F)F)s1 2295067847 KXZSTYXJDFPIFD-QMMMGPOBSA-N 308.285 3.183 10 10 DGCE CCOc1cc2c(cc1C=C1SC(=S)N(C)C1=O)CCC2 2297559616 VOWODOYIWKJMNZ-UHFFFAOYSA-N 319.451 3.405 10 10 DGCE O=S(=O)(C=Cc1cccc(Cl)c1)Nc1ccc(O)cc1 2309387665 PAAHCHGTUAKZMC-UHFFFAOYSA-N 309.774 3.458 10 10 DGCE Cc1cncc(C=CC(=O)N2C[C@H](C)Oc3c(F)cccc32)c1 2309904641 YTMXYVKHGONMPU-ZDUSSCGKSA-N 312.344 3.356 10 10 DGCE CS[C@H]1CC[C@H]1NCc1ccc(C)c(Br)c1O 2307479507 JGZUADCSZGDJQG-MNOVXSKESA-N 316.264 3.447 10 10 DGCE CCN(CCN=[N+]=[N-])C(=O)c1cccc(Br)c1F 2315988206 GMYNFTWXUXDJIY-UHFFFAOYSA-N 315.146 3.361 10 10 DGCE O=Cc1cc(I)c2c(O)csc2c1 307122830 MVSGNBDRTOUSIY-UHFFFAOYSA-N 304.108 3.024 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1CCCCN1Cc1ccccc1O 179564122 IIIZEJDNCIWXCU-HNNXBMFYSA-N 320.433 3.271 10 10 DGCE COCCNCc1ccc(N(CC(F)(F)F)C(C)C)cc1 62737934 WPGFIMQBMDUXFN-UHFFFAOYSA-N 304.356 3.200 10 10 DGCE CCN(CC)c1ccc(/C=C2\SC(=S)N(C)C2=O)c(O)c1 33247309 VDSIKCVOFQEJEC-JYRVWZFOSA-N 322.455 3.069 10 10 DGCE O=C1N=C(Nc2cccc(C(=O)O)c2)S/C1=C/c1ccccc1 210378643 ZZHGAQZFYCTUNM-NTEUORMPSA-N 324.361 3.467 10 10 DGCE Cc1cc(/C=C2/SC(=N)NC2=O)c(C)n1-c1ccc(F)cc1 75261225 INCCULVWLNNSJM-RIYZIHGNSA-N 315.373 3.372 10 10 DGCE Cc1ccc(-n2cccn2)cc1NCc1cc2c(cc1O)OCO2 188936427 OILQSJWPLIGKMT-UHFFFAOYSA-N 323.352 3.227 10 10 DGCE CCO[C@@H]1C[C@H](N[C@@H](C)c2cc(C)ccc2O)C12CCOCC2 186312377 UHNUVZWJZQHHBH-JCGIZDLHSA-N 319.445 3.325 10 10 DGCE CCOc1ccc(O)c(CN[C@@]2(CO)C[C@@H](C)CC(C)(C)C2)c1 236848980 XPTWSRRAFZYNIO-LIRRHRJNSA-N 321.461 3.458 10 10 DGCE COc1ccc(CN2CCO[C@](C)(c3ccccc3)C2)c(O)c1 93342015 LRCVZLOGQJGHDS-IBGZPJMESA-N 313.397 3.148 10 10 DGCE C[C@@H]1CN(c2cc(Br)c(CN)cc2F)C[C@H]1C 383661362 LQOSBMHWBMYTDU-RKDXNWHRSA-N 301.203 3.139 10 10 DGCE Cc1nc(NCc2cc(N)ccc2O)ccc1Br 235953018 UBTVYZIVXFXLOP-UHFFFAOYSA-N 308.179 3.052 10 10 DGCE C[C@@H](N[C@@H]1CC12CC2)c1cc(Br)cc(F)c1O 818355896 KYMRFEMVHOXJFZ-RDDDGLTNSA-N 300.171 3.497 10 10 DGCE COc1ccc2ccc(C(=O)NCc3ccccc3O)cc2c1 815833218 CPFOGQWOHOKJFX-UHFFFAOYSA-N 307.349 3.484 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Br)s1 2213584506 DZIVIFIJDUOULN-NKWVEPMBSA-N 315.196 3.472 10 10 DGCE COC[C@@](C)(O)CCN[C@H](C)c1cc(Cl)c(Cl)cc1O 834844723 UFVFYHIFYCECMF-OTYXRUKQSA-N 322.232 3.137 10 10 DGCE C[C@H](NC(=O)N1CC[C@@]2(C1)CC2(F)F)c1ccc(N(C)C)cc1 845123700 CZSJHIVRMWCBLJ-LRDDRELGSA-N 323.387 3.254 10 10 DGCE C[C@@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C[C@H]1C(=O)O 843040132 GRAVLDIXAATMNM-CRAIPNDOSA-N 316.445 3.220 10 10 DGCE C[C@H](NC[C@@H](CO)c1ccccc1)c1cc(F)cc(F)c1O 756636301 WSCURNSFWAEQOQ-AAEUAGOBSA-N 307.340 3.097 10 10 DGCE C[C@H]1CN(CCN=[N+]=[N-])C[C@@H](C)N1C(=O)OCc1ccccc1 1954206959 ODDZPRHDRAWSCF-OKILXGFUSA-N 317.393 3.028 10 10 DGCE Cc1ccc(C(=O)N[C@H]2CC23CC3)cc1-n1c(C)cc(C=O)c1C 862036120 PCIKTEPCHVUYOM-SFHVURJKSA-N 322.408 3.497 10 10 DGCE CC(C)Cn1ncc(NC(=O)c2cc(O)cs2)c1C(F)F 761021259 JFSZCYZFJRFGTJ-UHFFFAOYSA-N 315.345 3.496 10 10 DGCE CC[C@@H]1C[C@H](CN2CCOc3cc(N(C)C)ccc32)CCO1 765653595 APBRVXDBFKUUGY-GDBMZVCRSA-N 304.434 3.157 10 10 DGCE COc1c([N+](=O)[O-])ccc(CN2C[C@H](C)C[C@H](C)[C@@H]2C)c1O 775111669 OAJYHSDIPFSPFN-WOPDTQHZSA-N 308.378 3.175 10 10 DGCE COC(=O)[C@@H]1C[C@@H](C)CCN1Cc1cc(Cl)cc(C)c1O 776004232 ZUBSJACONAMFAD-HZMBPMFUSA-N 311.809 3.128 10 10 DGCE O=C(N[C@H]1CC12CCCC2)c1cc2cc(O)c(O)cc2s1 897566042 DVSKKZLAJPCALL-AWEZNQCLSA-N 303.383 3.375 10 10 DGCE CN(Cc1ccccc1O)C(=O)c1ncc(C(F)(F)F)s1 1149871561 IAGGNOVBQNWJGL-UHFFFAOYSA-N 316.304 3.140 10 10 DGCE C[C@H](CCc1ccc(F)cc1)C(=O)NCc1c(O)cccc1O 1156885742 MYYJDQYCYFDTDN-GFCCVEGCSA-N 317.360 3.122 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1 1912193616 FSNZPWVTKAMNFD-MRVPVSSYSA-N 320.827 3.113 10 10 DGCE CSCCONC(=O)Cc1cc(C)n(-c2ccccc2)c1C 1448869679 JPPVSBAPGPSTJX-UHFFFAOYSA-N 318.442 3.047 10 10 DGCE Cc1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)sc1C=O 1540440761 SLMMUGLMEHTHDH-UHFFFAOYSA-N 316.426 3.207 10 10 DGCE C[C@H]1[C@H](C)CCC[C@H]1CNC(=O)N1Cc2cccc(O)c2C1 1470000930 KGAVTVSBHWPLGQ-RDBSUJKOSA-N 302.418 3.490 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@]1(C)CCCO1 1629921155 UIFRMWKMQFNXSU-QGZVFWFLSA-N 318.442 3.455 10 10 DGCE COC(=O)c1cc(OCc2ccc(Cl)cn2)ccc1N(C)C 1559456336 AABRNFNAKKCJNE-UHFFFAOYSA-N 320.776 3.167 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H]1CC1(C)C 1556989407 CTFVOYSUVIRJRN-KRWDZBQOSA-N 310.397 3.435 10 10 DGCE O=C(NCc1ccccc1O)c1cc(-c2ccc(F)cc2)no1 1566373694 AIAJQYVKWZFLLC-UHFFFAOYSA-N 312.300 3.116 10 10 DGCE Cc1ccc(C(=O)Nc2ccccc2NC(C)C)c(O)c1O 1640666133 QOCHHBOJHVUSRG-UHFFFAOYSA-N 300.358 3.479 10 10 DGCE COc1cc(CN2CCO[C@@H](c3ccsc3)C2)c(O)cc1C 160396584 YNHNJVKOFDYMER-QGZVFWFLSA-N 319.426 3.344 10 10 DGCE Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1ccc(N)cc1 160396646 YBERXUGHDVOWSN-UHFFFAOYSA-N 324.359 3.463 10 10 DGCE CN(Cc1ccc(N)cc1)C(=O)c1cc(F)c(Cl)cc1F 167436556 AMHVOVXSENOPOZ-UHFFFAOYSA-N 310.731 3.473 10 10 DGCE CC[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1[C@H](N)c1ccccc1O 1938454882 AASZQBOWKKJRIC-WQVCFCJDSA-N 320.433 3.428 10 10 DGCE Oc1cccc(Br)c1CN[C@H]1C[C@]12CC2(F)F 2004611542 YVYFHYVRLJWFED-QWRGUYRKSA-N 304.134 3.042 10 10 DGCE CN[C@@H](CC[C@H]1CCN1C(=O)OC(C)(C)C)c1ccccc1O 1979167521 FSOYLWZGIBIMJE-ZFWWWQNUSA-N 320.433 3.442 10 10 DGCE C[C@H]1C[C@H](N(C)c2ccc(CN)cc2Br)CS1 2015487868 ZWTPTGPCMKNSBX-ONGXEEELSA-N 315.280 3.238 10 10 DGCE NCc1ccc(N2CCC[C@H](C(F)F)C2)cc1Br 2032450520 UXTNLQZJBUIDAQ-JTQLQIEISA-N 319.193 3.389 10 10 DGCE Oc1ccc(Br)cc1CN[C@H]1C[C@H]2C[C@H]1C[C@H]2F 2039899969 OEOIORCNWSNDNA-DTVLGXAZSA-N 314.198 3.381 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1cccc2c1ncn2C 2062251228 OMYGZSSRHWUZCY-UHFFFAOYSA-N 323.396 3.331 10 10 DGCE CNC(=O)c1cc(C(C)C)nn1[C@H](C)c1cc(C)c(C)cc1O 2070027787 PMKOEXXPFWUPSB-CYBMUJFWSA-N 315.417 3.298 10 10 DGCE C[C@H](N)c1ccc(N2C[C@@H]3[C@H](CCN3Cc3ccccc3)C2)cc1 1148929638 KLFFNXLNQNELDR-LDQXTDLNSA-N 321.468 3.417 10 10 DGCE CCN[C@@H](C)c1cnc(Sc2nc(CC)ns2)s1 2041813105 HHMWJWGGFAZQRN-ZETCQYMHSA-N 300.478 3.379 10 10 DGCE CC[C@H](N[C@H]1C[C@H]1COC)c1cc(Br)ccc1O 2054016565 QUWTZFTUTPNAOF-XDTLVQLUSA-N 314.223 3.230 10 10 DGCE C[C@]1(F)CN(CCc2ccc(N)cc2)C[C@@]1(C)Br 2084850891 FEJSMWKEBRGWPR-KGLIPLIRSA-N 315.230 3.009 10 10 DGCE CSc1ncc(CNCc2ccc3c(c2)ncn3C)s1 2208562518 YCELCIHHKUSVRU-UHFFFAOYSA-N 304.444 3.042 10 10 DGCE CSc1ncc(CNCCc2ccc3c(c2)CCO3)s1 2208724179 DLCPUPLXAKBGFT-UHFFFAOYSA-N 306.456 3.132 10 10 DGCE CN1C(=O)C(=Cc2cc(Br)cs2)SC1=S 2296522340 GMYCFKFAFPEQDD-UHFFFAOYSA-N 320.258 3.342 10 10 DGCE O=C(C=Cc1cccnc1)N1CC2(CCOCC2)c2ccccc21 2311642380 URXMBPRGQMNASZ-UHFFFAOYSA-N 320.392 3.190 10 10 DGCE C[C@@]12CCO[C@@H]1[C@H](NCc1cc(Cl)cc(Cl)c1O)C2 2328908628 PGAHJBSEVYHINH-BNOWGMLFSA-N 302.201 3.356 10 10 DGCE CN[C@H](C)c1ccc(N(C)[C@H](C)COC)c(Br)c1 61697120 KMUIYKTYWITNBH-GHMZBOCLSA-N 315.255 3.201 10 10 DGCE N[C@H]1CCCN(c2ccc(OCOCc3ccccc3)cc2)C1 303827565 WUSXYPDUGLHNQF-KRWDZBQOSA-N 312.413 3.167 10 10 DGCE CNC(=O)Nc1ccc(NCc2c(O)cccc2Cl)cc1 127298852 FHMKFUCUDRHALT-UHFFFAOYSA-N 305.765 3.409 10 10 DGCE CC[C@H](CSC)N[C@H](C)c1ccc(N2CCOCC2)cc1 183525152 VULVQMMTYVCTLC-GDBMZVCRSA-N 308.491 3.315 10 10 DGCE C[C@H](CCc1ccccc1)N[C@H](C)C(=O)c1ccc(O)c(O)c1 34190060 OCQANZCXFMVTBZ-ZIAGYGMSSA-N 313.397 3.280 10 10 DGCE OC[C@H]1CCC[C@H](NCc2ccc(N3CCCCC3)cc2)C1 319094610 CXJMIJALCSVTKX-ROUUACIJSA-N 302.462 3.318 10 10 DGCE Cc1cc(O)c(CN2CCCN(c3ccccn3)CC2)cc1C 185694033 DOURKQYYAMKCNC-UHFFFAOYSA-N 311.429 3.116 10 10 DGCE CN(Cc1cc2c(cc1O)CCC2)Cc1ccccc1[N+](=O)[O-] 46477506 ZWAMOPYAPAULQS-UHFFFAOYSA-N 312.369 3.421 10 10 DGCE CCN[C@@H]1C(=O)Nc2cc(N3C[C@@H](C)C[C@@H]3C)c(Cl)cc21 222600410 PHKFMIZCZFXJRT-YHAQOWFVSA-N 307.825 3.177 10 10 DGCE Cc1cnccc1CNCc1cccc(Br)c1O 228657371 RKGKSHTVWFQTBJ-UHFFFAOYSA-N 307.191 3.148 10 10 DGCE CCOc1cccc(CN[C@@]2(CO)C[C@H](C)CC(C)(C)C2)c1O 236959551 KTSFHFLJTPRDGV-KUHUBIRLSA-N 321.461 3.458 10 10 DGCE CC[C@H](CN[C@@H](C)c1c(O)cccc1O)NC(=O)OC(C)(C)C 234021630 GDSRUXFBKDLKKP-NWDGAFQWSA-N 324.421 3.052 10 10 DGCE COc1ccc(CN2CCC(OC3CCCC3)CC2)c(O)c1 92759064 OVUHBCNPHLWMKH-UHFFFAOYSA-N 305.418 3.324 10 10 DGCE c1cc(N2CCOCC2)ccc1CNC[C@H]1C[C@H]2CC[C@H]1C2 378905920 YZMKTFQZXKRIHK-OKZBNKHCSA-N 300.446 3.049 10 10 DGCE O=C(NCc1cc(Br)ccc1O)c1ccc(F)cc1 804736976 HGWMEXKNFTWOPC-UHFFFAOYSA-N 324.149 3.224 10 10 DGCE CN[C@@H](c1ccc(N(C)C)cc1)c1nn(C)c(Cl)c1Cl 2163072967 DUTWZUWMSBMFII-LBPRGKRZSA-N 313.232 3.102 10 10 DGCE Cc1cc(C)c([C@H](C)NCc2cccnc2-n2ccnc2)c(O)c1 293891636 VYHLXIKNPLEXTO-HNNXBMFYSA-N 322.412 3.441 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cc(F)c[nH]1 293917337 XPOLJVUEZAWIKA-UHFFFAOYSA-N 303.381 3.271 10 10 DGCE CC(=O)C(=O)COC(=O)CC1CCC(c2ccccc2)CC1 808516806 QMZUYUNDUGJXMS-UHFFFAOYSA-N 302.370 3.052 10 10 DGCE CCOc1ccc(CN2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c(O)c1 824695984 GAICKJIQYSVATA-KSZLIROESA-N 319.445 3.306 10 10 DGCE Cn1ncc2c1CC(C)(C)CN(Cc1cccc(Cl)c1O)C2 828018607 KXZARXKQKMZHKH-UHFFFAOYSA-N 319.836 3.364 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCC[C@@H]2[C@H]2CCCO2)cc1 835049551 KAEYMBVNYXFOJN-KZFWWMDYSA-N 300.446 3.409 10 10 DGCE C[C@H](O)C[C@H]1CCCCN1C/C=C\c1ccc(N(C)C)cc1 835051813 JYSGVXIFFVVARW-NTWLCTACSA-N 302.462 3.391 10 10 DGCE CN(C)c1ccc(/C=C\CNC[C@@](C)(O)c2cccs2)cc1 835039480 FHYWNRKMQUNMKX-WLPBJKJWSA-N 316.470 3.325 10 10 DGCE CN(C)c1ccc(/C=C\CNCc2cccc(N(C)C)n2)cc1 835040501 DKHWCTGUWPOWEJ-SREVYHEPSA-N 310.445 3.017 10 10 DGCE CN(C)c1ccc(CNC(=O)N2CCC23CCCC3)cc1F 844934659 PYCTVPTXIAZXIT-UHFFFAOYSA-N 305.397 3.120 10 10 DGCE CCOC(=O)C1=CC[C@H](N[C@H](CC)c2ccc(F)cc2O)C1 858505868 BPMVFRQYMVBVLR-DZGCQCFKSA-N 307.365 3.224 10 10 DGCE CN(C)c1ccc(CNC(=O)N2CCC[C@H](CCF)C2)cc1 853244418 LVNMZVFVQLSVKR-OAHLLOKOSA-N 307.413 3.034 10 10 DGCE CCOC(=O)C1=CC[C@@H](N[C@H](C)c2ccc(N(C)CC)cc2)C1 858505329 IMBFULPCUQJCQI-RHSMWYFYSA-N 316.445 3.445 10 10 DGCE O=C(NCCCSc1nccs1)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@@H]12 865784459 YLXWDPNQOXOLQL-NAWOPXAZSA-N 308.472 3.034 10 10 DGCE COc1c([N+](=O)[O-])ccc(CNCC[C@H]2CC=CCC2)c1O 862498473 JSEJCYSKXUATLI-LBPRGKRZSA-N 306.362 3.145 10 10 DGCE CC(C)(Oc1ccc(F)cc1)C(=O)N1Cc2cccc(O)c2C1 871198663 MNZNXNRUWYPIGH-UHFFFAOYSA-N 315.344 3.231 10 10 DGCE COc1cccc([C@@H](C)OC(=O)/C=C\c2ccc(O)c(O)c2)c1 784285805 DSHXJAMGVRABTD-ZVTBTPLYSA-N 314.337 3.424 10 10 DGCE Oc1c(F)cc(Cl)cc1CNCC1(C2(O)CCC2)CCC1 895867243 BTXYHAMYEIVFKC-UHFFFAOYSA-N 313.800 3.360 10 10 DGCE C[C@@H](CCOCc1ccccc1)Nc1c(N)cccc1C(=O)O 390364679 SBHWWJPFPBCNQI-ZDUSSCGKSA-N 314.385 3.374 10 10 DGCE CCNCc1ccc(N2CC(C(F)F)C2)cc1Br 706477654 UKHQONGXFBDFES-UHFFFAOYSA-N 319.193 3.260 10 10 DGCE Cc1nc2ccc(C(=O)NCc3ccc(N(C)C)cc3)cc2o1 791477204 CUIAUCYZTXQNOJ-UHFFFAOYSA-N 309.369 3.132 10 10 DGCE CN(C[C@H]1CCSC1)c1ccc(CN)c(Br)c1 718475902 AZHMGEQICFEGGP-SNVBAGLBSA-N 315.280 3.097 10 10 DGCE C[C@H](N=c1nc[nH]c2[nH]c(Cl)cc12)c1ccc(N(C)C)cc1 1163099184 DDCRVELAIITKEH-JTQLQIEISA-N 315.808 3.272 10 10 DGCE CC(C)c1ccc(OCC(=O)NCc2c(O)cccc2F)cc1 1178410098 LZIITDXEYLGGFZ-UHFFFAOYSA-N 317.360 3.350 10 10 DGCE CCC[C@@H](C)C(=O)N[C@H]1C[C@H](NCc2ccc(OC)c(C)c2)C1 1266583251 RLVSEAFXTFREHI-KBRIMQKVSA-N 318.461 3.177 10 10 DGCE CO[C@@H]1CCN(c2ccc([C@H](C)O)c(Br)c2)[C@H]1C 1914235124 AJWRBXMMGXUCMP-PKFCDNJMSA-N 314.223 3.116 10 10 DGCE CO[C@@H]1C[C@H]1C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 1442450506 QRSXSXPMIOMBMC-QZTJIDSGSA-N 316.445 3.107 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@@](C)([C@H](N)c2ccccc2O)C1 1916518156 DSNHPIAXWOTOOV-CDHAZOANSA-N 320.433 3.476 10 10 DGCE Cc1cc2c[nH]nc2cc1NC(=O)c1ccc(N=NC(N)=O)cc1 1292807890 HPTQTCUHDKVUPB-UHFFFAOYSA-N 322.328 3.286 10 10 DGCE FC1(F)CN(c2ccc(CNC3CC3)c(Br)c2)C1 1917013412 GVASRNJQTDYHGO-UHFFFAOYSA-N 317.177 3.156 10 10 DGCE COCC1(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 1461229756 HYACDCOCOYPJDO-UHFFFAOYSA-N 312.413 3.251 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2COC[C@H]2C2CC2)cc1 1537611186 QEXRNKAOGSBERQ-RBUKOAKNSA-N 324.424 3.249 10 10 DGCE C/C(=C/C(=O)N(C)c1ccc2ccccc2n1)c1cnccn1 1538064078 AZTHCNUHUFOKDT-QBFSEMIESA-N 304.353 3.091 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H](F)C(F)(F)F 1531693483 KLZPESALRDBHCM-ZDUSSCGKSA-N 318.314 3.146 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N[C@H](c1ccccc1)C1CCC1 1627374461 OIBLOBPHSFJRDV-LJQANCHMSA-N 311.381 3.298 10 10 DGCE CC[C@H](CNC(=O)CC(C)C)NCc1ccc(OC)c(C)c1 1567947430 LYEUHERDFNGFRS-MRXNPFEDSA-N 306.450 3.034 10 10 DGCE O=C(CCc1cccc(OC(F)F)c1)NCc1ccccc1O 1566373956 NSMOIOBGJQSIRA-UHFFFAOYSA-N 321.323 3.243 10 10 DGCE COc1ccc(N(C)C[Si](C)(C)c2ccccc2)cc1F 1644865794 IMRUNGOFKPOMOC-UHFFFAOYSA-N 303.453 3.425 10 10 DGCE CC(C)Oc1cccc(NC(=O)c2c(F)ccc(O)c2O)c1 1651032496 OLZGFQPHCDQVHG-UHFFFAOYSA-N 305.305 3.276 10 10 DGCE Cc1ccncc1NC(=O)c1cc2cc(O)c(O)cc2s1 1585346319 BISIJLKFUFFHTG-UHFFFAOYSA-N 300.339 3.268 10 10 DGCE Cc1ccc(O)c(CNC(=O)NCc2cccc3cc[nH]c23)c1 1680139445 AQNJKUQKNKQBEU-UHFFFAOYSA-N 309.369 3.181 10 10 DGCE COc1ccc(N2N=C(C)/C(=C(/C)Nc3cccnc3)C2=O)cc1 13519700 SDJOZTCXEBLQGQ-SFQUDFHCSA-N 322.368 3.199 10 10 DGCE CCCNC(=O)c1cc(NC)c(N)c(F)c1Nc1ccccc1 1858179665 DJINTUPGAWLQBH-UHFFFAOYSA-N 316.380 3.333 10 10 DGCE Cc1cccc(CNCc2nccn2Cc2ccccc2)c1O 1936960991 NJABJCONXPOJOW-UHFFFAOYSA-N 307.397 3.235 10 10 DGCE CCOc1ccc(N2CCN(Cc3cc(C)ns3)CC2)cc1 1233313237 MFRCHCNYXBVTOM-UHFFFAOYSA-N 317.458 3.172 10 10 DGCE C[C@H](NC(=O)OC(C)(C)C)C1CCN(CCCN=[N+]=[N-])CC1 1962305400 RUFFCWQYTDHHTH-LBPRGKRZSA-N 311.430 3.312 10 10 DGCE CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CN(CCCCN=[N+]=[N-])C2 1993492561 ZKNZXACLQFZADY-CJNGLKHVSA-N 323.441 3.314 10 10 DGCE COc1nsc([C@](C)(N)c2ccc(N(C)C)cc2)c1Cl 2154681531 JENKXNOEFNAVQW-CQSZACIVSA-N 311.838 3.093 10 10 DGCE C[C@H]1CCOCCN1c1ccc([C@@H](C)O)c(Br)c1 2031689439 RTWQHFZUMBDSGB-WDEREUQCSA-N 314.223 3.118 10 10 DGCE CC[C@H]1COC(C)(C)CN1c1cc(Cl)c(CN)cc1F 2177380634 GIWIPPJLWDVIAK-NSHDSACASA-N 300.805 3.332 10 10 DGCE CNCc1ccc(N2C[C@H]3[C@H](C2)C3(C)C)c(Br)c1 379553294 WCZRDDSVNRZNKZ-RYUDHWBXSA-N 309.251 3.261 10 10 DGCE CCCN(Cc1ccc(N)cc1)C(=O)c1cc(Cl)ns1 2167200288 VRNOCZRWFGYOKR-UHFFFAOYSA-N 309.822 3.431 10 10 DGCE CCOC(=O)c1cc(C(C)C)nn1Cc1cc(F)ccc1O 2069914288 LBVCZXPNHLWSEX-UHFFFAOYSA-N 306.337 3.076 10 10 DGCE Cc1ccc([C@@H](C)n2ncc(C(=O)OC(C)(C)C)c2O)c(O)c1 2070487223 COZBMBLGZAAOKC-LLVKDONJSA-N 318.373 3.167 10 10 DGCE C[C@@H](O)c1ccc(N(C)CCOC(F)F)c(Br)c1 2082823614 SETYWJIUSCETRP-MRVPVSSYSA-N 324.165 3.178 10 10 DGCE CN[C@H](C)c1ccc(N(C)Cc2ccon2)c(Br)c1 2104160951 IORLRCUNGVFMRJ-SNVBAGLBSA-N 324.222 3.354 10 10 DGCE Cc1cnccc1CN(C)c1ccc(CN)cc1Br 2110631999 CGXNQYBFPUZNFK-UHFFFAOYSA-N 320.234 3.248 10 10 DGCE CC[C@@H](NCc1c(Br)ccc(OC)c1O)C1CC1 2220462247 IWIKXWMENPRFIC-GFCCVEGCSA-N 314.223 3.442 10 10 DGCE C[C@H](N)c1ccc(N2CC[C@H]3C[C@]3(F)C2)cc1Br 2222708818 RYFGMYMIVVCINX-BHDSKKPTSA-N 313.214 3.407 10 10 DGCE CC[C@@H](C)NCc1ccc(N2CC(F)C2)cc1Br 2223530875 KTHXAZBPQDGFOE-SNVBAGLBSA-N 315.230 3.495 10 10 DGCE CN(CCCN=[N+]=[N-])C(=O)C1CCN(Cc2ccccc2)CC1 2243992523 DZJSQTLZJGBRCB-UHFFFAOYSA-N 315.421 3.057 10 10 DGCE CN(c1ccc(N)cc1)[C@@H]1CN(C(=O)OC(C)(C)C)CC12CC2 2244508958 CZHRTAVRZKATEM-OAHLLOKOSA-N 317.433 3.105 10 10 DGCE Cc1cccc(O)c1CNC[C@H]1CC[C@@H]1NC(=O)OC(C)(C)C 2244715101 SOESPKPTAQTNKO-HIFRSBDPSA-N 320.433 3.094 10 10 DGCE Cc1ccc(C=C2C(=O)NN(c3ccc(C)c(C)c3)C2=O)cc1 2297550665 NZEMHYSUWGJERS-UHFFFAOYSA-N 306.365 3.073 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc(OC(F)F)cc1 2307982060 LXVXRXNPONTKJT-UHFFFAOYSA-N 321.279 3.351 10 10 DGCE c1cnc(N2CCN(N=Nc3cccc4ccccc34)CC2)nc1 2330221797 QOWHKKZQJVGFEB-UHFFFAOYSA-N 318.384 3.451 10 10 DGCE CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1cccc(C(=O)O)c1 104974265 MZGUOJVYIFDSCY-LFIBNONCSA-N 321.336 3.103 10 10 DGCE Cc1csc([C@H](C)NC(=O)N(C)Cc2ccccc2O)n1 69829097 GYMLDAQUHBYFPF-NSHDSACASA-N 305.403 3.060 10 10 DGCE C[C@@H](N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(O)cc1O 302872801 UMGZTJNHTZZUCH-ZBFHGGJFSA-N 312.413 3.023 10 10 DGCE COc1cc(C(=O)[C@@H](C)Oc2ccc(N)cc2)c(OC)cc1C 40353873 XXIHAHVRJBOQML-GFCCVEGCSA-N 315.369 3.245 10 10 DGCE COc1ccc(CNC2CC2)cc1CSc1ncccn1 83960445 QFIMFHVYUANNDN-UHFFFAOYSA-N 301.415 3.030 10 10 DGCE CCN(C(=O)/C=C\c1cnc2ccccc2n1)c1cccnc1 255003205 GYICAJONVILPHD-KTKRTIGZSA-N 304.353 3.091 10 10 DGCE CCN1CC[C@@H](CNCc2cc(-c3ccccc3)ccc2O)C1 263674598 KSDMMNFNQWPBTP-INIZCTEOSA-N 310.441 3.491 10 10 DGCE CN[C@H](c1ccc2c(c1)CCN2C)[C@@H]1SCCS[C@H]1C 2163078156 GYBBRCKEAIUBTR-IUIKQTSFSA-N 308.516 3.177 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCC[C@H]2CNCC[C@@H]21 715023109 SDGVNTXCXFIRPI-HZMBPMFUSA-N 315.244 3.273 10 10 DGCE C[C@@H](NC(=O)[C@@H]1C[C@H]1C(F)(F)F)c1ccc(N(C)C)cc1 828861377 OUSGLZGFBMKOCS-OASPWFOLSA-N 300.324 3.128 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@H]1C(F)(F)F 822809060 NYEXWMKTFLMVIJ-ZIAGYGMSSA-N 314.351 3.300 10 10 DGCE C[C@H](c1nc(C(C)(C)C)no1)N1CCCc2cc(CN)ccc21 843350477 RVLVGOYNKJYZRR-GFCCVEGCSA-N 314.433 3.340 10 10 DGCE Cc1ccc(O)c(CNC(=O)NC[C@H]2CC(C)(C)OC2(C)C)c1 927625465 CETZUVUYVGVWRZ-CQSZACIVSA-N 320.433 3.094 10 10 DGCE Cc1noc(C)c1CCCN[C@@H](C)c1cc([N+](=O)[O-])ccc1O 756640476 MSMUUTMGMJUUMF-JTQLQIEISA-N 319.361 3.189 10 10 DGCE COc1ccc(CNC(=O)N[C@H](C)C2CCC(F)CC2)c(O)c1 852630290 BMUOLJKPUXHROJ-LKSINWNRSA-N 324.396 3.117 10 10 DGCE COC(=O)/C=C\c1ccc(N2C[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 853719238 KTKARXUTJGQPOB-VTLBSYCISA-N 316.357 3.160 10 10 DGCE C[C@H](CC(=O)N(C)Cc1ccc(N(C)C)cc1)C(F)(F)F 858200207 QHSYTKFJYAPPMU-LLVKDONJSA-N 302.340 3.300 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCCC[C@@H]3C)C2)cc1 855225053 NMEUQWZOLGGRKL-RLFYNMQTSA-N 316.445 3.216 10 10 DGCE C[C@@H](NC[C@H](n1cccn1)C(F)(F)F)c1cc(F)ccc1O 858448559 CKKAYOBUKAKWDY-RNCFNFMXSA-N 317.286 3.182 10 10 DGCE CCOc1ccc(O)c(CN(C)[C@H]2CCN(CC)[C@H](C)C2)c1 769469590 AOIRVRAZZOMTDU-ZBFHGGJFSA-N 306.450 3.096 10 10 DGCE c1cc(N2CCCC2)ccc1CNC[C@@H]1CCN1C1CCCC1 1118805949 MDVFDRMNHYTYRK-FQEVSTJZSA-N 313.489 3.393 10 10 DGCE COc1ccc(N2CCC(=O)[C@H](C)[C@@H]2C)cc1Br 93036013 ZUUFOBUGGYDZHK-ZJUUUORDSA-N 312.207 3.262 10 10 DGCE C[C@H](N)c1ccc(N2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 705963656 TXTXZAIGMNGUTO-VDGAXYAQSA-N 321.468 3.275 10 10 DGCE COc1nn(C)cc1NCc1cc(Cl)cc(Cl)c1O 788972064 USBGHNFYICCBOE-UHFFFAOYSA-N 302.161 3.053 10 10 DGCE Cc1nc2ccccc2c(C)c1C(=O)NCc1ccc(O)c(O)c1 1150378076 OGHRELBLWWVQBD-UHFFFAOYSA-N 322.364 3.193 10 10 DGCE CCOc1ccc(N2CCN(C[C@H]3CCC(C)(C)O3)CC2)cc1 1168331954 SZJAWNYVKIBQBR-GOSISDBHSA-N 318.461 3.165 10 10 DGCE OCc1ccc(N2CC[C@@H](n3cccc3)C2)cc1Br 2115191368 YYBMALJAFKYCHD-CQSZACIVSA-N 321.218 3.194 10 10 DGCE Cn1ccnc1[C@@H](Nc1c(N)cccc1Br)C1CC1 2125221846 DIPKNUIUFMKIKS-LBPRGKRZSA-N 321.222 3.328 10 10 DGCE CN(Cc1cc(Cl)cc(Cl)c1O)C[C@@H]1OCC[C@H]1F 2122536674 FCPXMTSFZKOVEQ-NEPJUHHUSA-N 308.180 3.258 10 10 DGCE CCC1(C(=O)N(C)[C@H](C)CNCc2ccc(OC)c(C)c2)CC1 1271093619 QJERCEXQQOHYJC-OAHLLOKOSA-N 318.461 3.130 10 10 DGCE [N-]=[N+]=N[C@H]1CCN(C(=O)C=Cc2ccc(Br)cc2)C1 1912185472 QEEQGGKCBIHLDB-LBPRGKRZSA-N 321.178 3.374 10 10 DGCE NCc1ccc(N2CC[C@@H](CC(F)F)C2)cc1Br 1916723458 SVXUMYCYJNZYHY-VIFPVBQESA-N 319.193 3.389 10 10 DGCE CCN(C(=O)c1cccc(O)c1O)[C@@H](C)Cc1ccsc1 1617186893 OQYHDGIMHUNWDR-NSHDSACASA-N 305.399 3.253 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@@H](C)[C@@H]2CCCO2)cc1F 1543251562 SOCBEOFELISKDM-GUYCJALGSA-N 322.424 3.103 10 10 DGCE CCCN(CCC)c1ccc(CNCCOC)cc1OCC 211842711 WHYBYHUNMHXKIG-UHFFFAOYSA-N 308.466 3.448 10 10 DGCE CCOc1ccc(N(CC)C[C@H]2CC(C(=O)OC)=C(C)O2)cc1 1642199750 NAOOOUKPXYQVEA-MRXNPFEDSA-N 319.401 3.148 10 10 DGCE Cc1cc(NCc2ccc3cccnc3c2O)ncc1[N+](=O)[O-] 1640051123 JPJCGDDFRPGSQK-UHFFFAOYSA-N 310.313 3.164 10 10 DGCE CCSC[C@H](C)NCc1cc(Br)ccc1O 164963820 KANLCFDQDCZZTO-VIFPVBQESA-N 304.253 3.386 10 10 DGCE Cc1cccc(/C=C2/SC(=S)N(C(C)(C)C(=O)O)C2=O)c1 1858594379 WXONUMDUKLOFHQ-DHZHZOJOSA-N 321.423 3.059 10 10 DGCE C[C@@H]1C[C@@H](C)CN(/N=N/c2ccc3c(c2)OCC(=O)N3C)C1 1860487983 YGFIBCFAJYJDSE-RPMBKQQQSA-N 302.378 3.018 10 10 DGCE CCCOc1cccc(/C=C2\C(=O)N(C)N=C2C(F)(F)F)c1 1865668959 YYBMHYJIXUPBJB-XFXZXTDPSA-N 312.291 3.249 10 10 DGCE C[C@H](N[C@H]1CC[C@@H]1OCc1ccccc1)c1ccc(O)cc1O 1939572866 ASFMWKBMLZWKAF-IXDGSTSKSA-N 313.397 3.496 10 10 DGCE C[C@H]1C[C@@H](C(=O)O)CCN1Cc1cc(Cl)cc(Cl)c1O 235615399 MDYZZVNWTBGBTG-IUCAKERBSA-N 318.200 3.384 10 10 DGCE CC(C)N[C@@](CSc1nccs1)(C(=O)O)C(C)(C)C 2142826277 ZUVQZQOTKFMIDS-ZDUSSCGKSA-N 302.465 3.103 10 10 DGCE COc1cccc(C[C@H](CN=[N+]=[N-])NC(=O)OC(C)(C)C)c1 1951351143 SXNMCBFYGYWHJI-GFCCVEGCSA-N 306.366 3.441 10 10 DGCE C[C@H](CNC(=O)OC(C)(C)C)C[C@@H](N)c1ccc(N(C)C)cc1 1977944122 AWLWETKCMCQQBG-XJKSGUPXSA-N 321.465 3.303 10 10 DGCE CC(C)(C)OC(=O)NC[C@H]1C[C@](F)(CNc2ccc(N)cc2)C1 1981293282 DUQGMQICLKQGEW-LAUQKZGBSA-N 323.412 3.324 10 10 DGCE NC(=O)c1cc(NCc2cccc(Cl)c2O)ccc1Cl 164976468 KEANKLQEBBDKFW-UHFFFAOYSA-N 311.168 3.410 10 10 DGCE COC(=O)[C@](C)(CCCCSc1nccs1)NC(C)C 45596030 MHRJEVNNESVOGG-AWEZNQCLSA-N 316.492 3.335 10 10 DGCE C[C@H](O)c1ccc(N(C)C[C@H]2C[C@@H]2F)cc1Br 2014704490 HWLOKYUQMPYIOI-RWEMILLDSA-N 302.187 3.297 10 10 DGCE COCCNCc1ccc(OCC=CBr)c(C)c1 2037496594 HOWPHCDVADJMBQ-UHFFFAOYSA-N 314.223 3.018 10 10 DGCE C[C@@H]1C[C@H](CN(C)Cc2ccc(Br)cc2O)CO1 2040276887 VFXPGIBHRGHOPG-GHMZBOCLSA-N 314.223 3.012 10 10 DGCE Cc1cccc(S(=O)(=O)Nc2ccc(O)cc2Cl)c1F 313220572 MTBJYWJJYJCJAD-UHFFFAOYSA-N 315.753 3.294 10 10 DGCE Oc1cccc(CNCc2cccc(Br)c2O)c1 384010430 XWLTZTLSDQGBRJ-UHFFFAOYSA-N 308.175 3.150 10 10 DGCE C[C@@H]1O[C@H](C)C[C@H]1N(C)Cc1cccc(Br)c1O 384984406 ZMJDGZBKWLKHGF-GBIKHYSHSA-N 314.223 3.152 10 10 DGCE C[C@H]1CCSCCN1c1ccc(CN)c(Br)c1 385355917 WMARPTVRXFSCHT-JTQLQIEISA-N 315.280 3.240 10 10 DGCE CC(C)NCc1ccc(N(C)[C@H](C)C[S@@](C)=O)cc1Cl 398898834 PZDDVSQMVRPSMV-MPBGBICISA-N 316.898 3.041 10 10 DGCE O=Cc1cc(C2CC2)nn1Cc1cccc(C(F)(F)F)c1O 2069987502 ILWQVXMNPDTNOH-UHFFFAOYSA-N 310.275 3.346 10 10 DGCE O=Cc1cc(C2CC2)nn1Cc1ccc(Br)cc1O 2069992226 HQGQVEAAMRGISK-UHFFFAOYSA-N 321.174 3.089 10 10 DGCE CC1(c2c(C3CC3)nn(Cc3cc(F)ccc3O)c2N)CC1 2079693927 KOESCBMWPFPLAN-UHFFFAOYSA-N 301.365 3.287 10 10 DGCE CCc1nn([C@@H](C)c2ccc(OC)cc2O)c(Cl)c1C=O 2079980572 GLLQFALJUWYVDW-VIFPVBQESA-N 308.765 3.235 10 10 DGCE FC(F)(F)[C@H]1C[C@@H](NCc2ccc3c(c2)CCO3)CS1 2189226547 SFGWOWJWBWEWDC-DGCLKSJQSA-N 303.349 3.148 10 10 DGCE C[C@@H](NC(=O)c1occc1Br)c1ccccc1O 1557967288 ZJIYGUGPDQZLQM-MRVPVSSYSA-N 310.147 3.239 10 10 DGCE C[C@H](c1ccccc1O)N(C)c1cc(Br)nn1C 2219543890 OQHYKICXJMGFMX-SECBINFHSA-N 310.195 3.086 10 10 DGCE CSc1ncc(CNCC[C@@H](CN)c2ccccc2)s1 2284720913 JQQBXDUZKHOCNJ-ZDUSSCGKSA-N 307.488 3.087 10 10 DGCE Cc1nc2c(s1)CCN(c1ccc(CO)c(Cl)c1)CC2 2287239273 NHWATWJNUGKQNP-UHFFFAOYSA-N 308.834 3.202 10 10 DGCE COc1ccc(NC(=O)C=Cc2ccc(O)c(O)c2)cc1Cl 2307978912 VORUXXUMHDGIQS-UHFFFAOYSA-N 319.744 3.412 10 10 DGCE Cc1cc(NC(=O)C=Cc2ccc(O)c(O)c2)ccc1N(C)C 2307986413 VUMGPVQPZIXOJI-UHFFFAOYSA-N 312.369 3.124 10 10 DGCE CC1=NN(Cc2cccc(Cl)c2)C(=O)C1=Cc1cccn1C 2332127521 GAUAPFHLGALLTQ-UHFFFAOYSA-N 313.788 3.480 10 10 DGCE Cc1cc(Cl)cc(CN[C@@]2(CO)CCc3ccccc32)c1O 305787153 SDRPSOSVKCXDSW-GOSISDBHSA-N 317.816 3.278 10 10 DGCE Oc1cccc(Cl)c1CNc1ccccc1-n1ccnn1 127257699 WNUIOYDMUGEVIX-UHFFFAOYSA-N 300.749 3.238 10 10 DGCE CCOC[C@H](C)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 138294249 FRMAEWDSSQPRML-LBPRGKRZSA-N 318.392 3.388 10 10 DGCE CC(C)OC[C@@H](O)CNc1ccccc1C(=O)c1ccccc1 192587154 RKSORBIXNJDAIP-INIZCTEOSA-N 313.397 3.115 10 10 DGCE CC(C)(C)OC(=O)N[C@H](COc1ccc(N)cc1)C1CCC1 1952299081 RXUICSPBEBGUPO-OAHLLOKOSA-N 306.406 3.341 10 10 DGCE C[C@H](N[C@@H](CC(=O)O)c1cccs1)c1cc(F)ccc1O 94617427 WCCAJJUGQJQNOB-CABZTGNLSA-N 309.362 3.459 10 10 DGCE C[C@@H]1CN(Cc2cc(F)ccc2O)C[C@@H](c2ccccc2)O1 245997803 RMIBXGCLUNAYML-ACJLOTCBSA-N 301.361 3.493 10 10 DGCE Cc1cc(F)ccc1[C@@H](O)CNCc1ccc(N(C)C)cc1 818941958 UUKGXDVXKYOWNB-SFHVURJKSA-N 302.393 3.023 10 10 DGCE C[C@H](N[C@@H]1CCN(C)[C@@H]1C)c1cccc(C(F)(F)F)c1O 903301268 PETLODFUGRKBOU-OPQQBVKSSA-N 302.340 3.154 10 10 DGCE COc1cccc(CNC/C=C/c2ccc(N(C)C)cc2)c1O 835053939 QIWHDDGDCILYSJ-AATRIKPKSA-N 312.413 3.270 10 10 DGCE CC1(C2(NC(=O)NCCCSc3nccs3)CC2)CC1 838512941 BDXKGHVTZSKGLL-UHFFFAOYSA-N 311.476 3.257 10 10 DGCE CC[C@H](CNC/C=C/c1ccc(N(C)C)cc1)N1CCCC1 835035931 LQGOQYRKMCJNLK-LKGOPFMKSA-N 301.478 3.230 10 10 DGCE COc1cc(CC2CN(Cc3ccccc3O)C2)cc(OC)c1 839138710 PIZIUYWAJOBZEF-UHFFFAOYSA-N 313.397 3.084 10 10 DGCE Cc1cc(N(C)C)ccc1CN1CCC(CN2CCCC2)CC1 840910783 RVTSLNSROLDMLB-UHFFFAOYSA-N 315.505 3.369 10 10 DGCE C[C@@H]1CN(C(=O)c2cc(O)cs2)C[C@H](c2ccc(F)cc2)O1 743637685 LYELGQOZFWEHFK-QMTHXVAHSA-N 321.373 3.195 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C1CCC(=O)CC1 746145722 ZBLNKXWMIHHOBN-UHFFFAOYSA-N 316.445 3.249 10 10 DGCE COc1ccccc1N(C)C(=O)/C=C/c1cnc2ccccc2n1 917777110 SOVNWEACTKBACF-VAWYXSNFSA-N 319.364 3.315 10 10 DGCE CC(C)(C)OC(=O)[C@@H](CNCc1ccccc1O)C1CCC1 853095115 IXAFEMXCVUQQHW-HNNXBMFYSA-N 305.418 3.240 10 10 DGCE C[C@H](NCC[C@@H](O)C(F)F)c1ccc(Cl)c(Cl)c1O 866442104 DRIXSWIYLRIYPJ-IMTBSYHQSA-N 314.159 3.366 10 10 DGCE CCc1cnccc1[C@@H](C)NC(=O)N[C@@H](C)c1ccccc1O 868475927 OPQLBAWZHKAMES-OLZOCXBDSA-N 313.401 3.471 10 10 DGCE COc1cc(C)cc(CN[C@H](C2CCOCC2)C2CC2)c1O 1119512186 MXCFQDAXZGMAGZ-KRWDZBQOSA-N 305.418 3.004 10 10 DGCE CNC(=O)c1cccc(NCc2cc(Cl)cc(C)c2O)c1 775749289 GFVAMTADJWFKNF-UHFFFAOYSA-N 304.777 3.326 10 10 DGCE Oc1ccc(Cl)cc1CN[C@H]1CCN(Cc2ccccc2)C1 393658764 CFWFYMFTUPXMJC-KRWDZBQOSA-N 316.832 3.410 10 10 DGCE O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@H]1C(F)(F)F 897796957 IAOZCIUIMKWDFN-LLVKDONJSA-N 317.288 3.089 10 10 DGCE CCOC(=O)[C@@H]1CC[C@H](N[C@@H](CC)c2ccc(F)cc2O)C1 796978043 KVQLBRWIPCRSJN-ZLDLUXBVSA-N 309.381 3.304 10 10 DGCE O=C1CCN1c1ccc(NCc2cccc(Cl)c2O)cc1 798960644 IYLOMFBXCDIHTR-UHFFFAOYSA-N 302.761 3.394 10 10 DGCE Oc1ccc2ccccc2c1CN[C@@H]1CCCCC12OCCO2 715678865 AIDRVUNHUKNODC-GOSISDBHSA-N 313.397 3.321 10 10 DGCE CN(C[C@@H]1CCSC1)c1ccc(CO)cc1C(F)(F)F 718391923 CGZYAIIWMJZPHO-NSHDSACASA-N 305.365 3.387 10 10 DGCE Cc1ccc(C)n1-c1ccc(I)cc1N 692135146 AMWZGACWQITESG-UHFFFAOYSA-N 312.154 3.281 10 10 DGCE O=Cc1cc(C(=O)NCc2c(O)ccc3ccccc23)cs1 1157041788 NURXSVMLXBCHRG-UHFFFAOYSA-N 311.362 3.349 10 10 DGCE C[C@H]1C[C@@H](CN2CCOc3cc(N(C)C)ccc32)C[C@@H](C)O1 1168858528 COCYIFJSDNDUMQ-FICVDOATSA-N 304.434 3.155 10 10 DGCE Cc1cccc(O)c1CN[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 1904584156 UAUMROWRNYOPGI-SFHVURJKSA-N 320.433 3.190 10 10 DGCE CC(C)(C)OC(=O)N[C@H](CNCc1ccc(N)cc1)C(C)(C)C 1900266151 NRASRLLBGZNMGI-OAHLLOKOSA-N 321.465 3.298 10 10 DGCE Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)Cc1ccccc1O 1445647284 QOJQFBYOTPXTIJ-UHFFFAOYSA-N 314.341 3.189 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2[C@H]3CC[C@H]2CSC3)c1O 1914570601 PUYRHZAYJSWJJY-STQMWFEESA-N 311.834 3.328 10 10 DGCE O=C(NCc1ccc(O)c(O)c1)c1[nH]ccc1-c1ccccc1 1294872080 UQXKZUDQYZOZGO-UHFFFAOYSA-N 308.337 3.023 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@H]1CC12CCC2 1478841405 VTAKBDXIJMWPFX-PBHICJAKSA-N 315.461 3.234 10 10 DGCE Cc1c(Br)cccc1NCc1ccc(O)c(O)c1O 226748882 FKFXPWYTZRZIBN-UHFFFAOYSA-N 324.174 3.486 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2CCN1CCc2ccccc21 1473344128 HNSSBBFHFGARRJ-UHFFFAOYSA-N 323.440 3.014 10 10 DGCE Cc1cccc2c1N(C(=O)c1ccc(N=NC(N)=O)cc1)CC2 1628987274 FQJBWONDOIZDKM-UHFFFAOYSA-N 308.341 3.360 10 10 DGCE Cc1cccc(N(C)C(=O)c2cccnc2-c2cnn(C)c2)c1 1627938161 NEOODCOUDKRZAC-UHFFFAOYSA-N 306.369 3.067 10 10 DGCE CC/C(C)=C/C(=O)N1CC[C@H](NCc2ccc(OC)c(C)c2)C1 1491724857 BCRITJFSCBWPOQ-SHRNQRGKSA-N 316.445 3.050 10 10 DGCE C[C@H](C(=O)NCc1c(O)cccc1O)c1cc2ccccc2o1 1645360579 DGFJKVRTOUINBD-NSHDSACASA-N 311.337 3.264 10 10 DGCE COc1ccc(N(C)CCN(C)Cc2cc(C)ns2)cc1 1646720497 UKDQTFAGKFVUHG-UHFFFAOYSA-N 305.447 3.028 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)Nc1ccc(OCC2CC2)cc1 1585932830 QCVMYUSRSVVECN-UHFFFAOYSA-N 313.353 3.068 10 10 DGCE Oc1c(Cl)cccc1CNc1ccccc1-n1cncn1 164975389 YSPCCWMXAMBROJ-UHFFFAOYSA-N 300.749 3.238 10 10 DGCE CNc1cc(C(=O)NC(C)C)c(Nc2ccccc2)c(F)c1N 1858179939 QWNAEMMOBSIUCK-UHFFFAOYSA-N 316.380 3.331 10 10 DGCE C[C@@H]1SCCS[C@@H]1c1noc(-c2cccc(O)c2O)n1 126888235 SCMXQMJVAVYKDF-CPCISQLKSA-N 310.400 3.057 10 10 DGCE C[C@H]1CC(NCc2cc(Br)ccc2O)C[C@H](C)O1 128751625 BNKUIQPJOSACDW-UWVGGRQHSA-N 314.223 3.200 10 10 DGCE Nc1ccc(CCNc2cc(F)cc(Br)c2N)cc1 1876394917 GUZDZSGJCKIQCP-UHFFFAOYSA-N 324.197 3.407 10 10 DGCE Oc1cc(Br)ccc1CNC[C@H]1CC[C@@H](F)C1 1945237095 OBBFEKDQHUBZFC-JOYOIKCWSA-N 302.187 3.383 10 10 DGCE Cn1cc(CNCc2c(O)cccc2Cl)c(C(F)F)n1 1964066196 DOCUFBWKQOKJBE-UHFFFAOYSA-N 301.724 3.007 10 10 DGCE CC(C)(C)OC(=O)N1CCCCN1C(=O)Nc1ccc(N)cc1 1977884115 IBOBFGRDCJKWKN-UHFFFAOYSA-N 320.393 3.049 10 10 DGCE C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CCN1c1ccc(N)cc1 1977967987 LZCOLMVJTFFNIU-UONOGXRCSA-N 319.449 3.398 10 10 DGCE C[C@H](CNCc1cc(Cl)cc(Cl)c1O)c1cnn(C)c1 2147088626 QYWNZFZZUICKKG-SECBINFHSA-N 314.216 3.326 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC2(CCC2)[C@@H]1Oc1ccc(N)cc1 1994748253 IZDDCNMJJBYIGD-HUUCEWRRSA-N 318.417 3.484 10 10 DGCE NCc1ccc(N2CC[C@@H](CCF)C2)cc1Br 2001375576 KGTUZCYYUBMXFJ-SNVBAGLBSA-N 301.203 3.094 10 10 DGCE CNCc1ccc(N2CC[C@@H](C)[C@H](F)C2)cc1Br 2034806937 FUNKVLDYPKOOCV-QMTHXVAHSA-N 315.230 3.353 10 10 DGCE CC[C@H](N[C@@H]1CCC[C@@H]1O)c1cc(Br)ccc1O 186280317 WFPQHQSIFIYBKO-SCRDCRAPSA-N 314.223 3.109 10 10 DGCE CC(C)[C@@H]1C[C@@H](NCc2c(O)cccc2Br)CO1 706824840 KHDTZZXSTMXSEK-YGRLFVJLSA-N 314.223 3.058 10 10 DGCE Cc1cc(CNCc2cccc(Br)c2O)ccn1 391133809 OMHRCDVQYXBLEU-UHFFFAOYSA-N 307.191 3.148 10 10 DGCE CCOC(=O)c1cc(C2CC2)nn1Cc1cc(Cl)ccc1O 2069925235 IURWFTBLFRXTAJ-UHFFFAOYSA-N 320.776 3.345 10 10 DGCE COc1cccc(Cn2nc(C(C)C)c(C(C)C)c2N)c1O 2079828341 IDLGEAZNSVZPDN-UHFFFAOYSA-N 303.406 3.475 10 10 DGCE CCCOc1cc(N(C)CC2(Br)CC2)ccc1N 2076244906 VQHJUENMAKBLCD-UHFFFAOYSA-N 313.239 3.421 10 10 DGCE COc1ccc(Br)c(CNn2ccc(C)c2)c1O 2222482897 FXYXOYFTOHSGOJ-UHFFFAOYSA-N 311.179 3.017 10 10 DGCE CC[C@H](NCc1conc1Br)c1ccccc1O 2222853607 XKZDQTWBFDCJTI-NSHDSACASA-N 311.179 3.384 10 10 DGCE Oc1cccc(Cl)c1CNC[C@@H]1OCC[C@H]1C(F)(F)F 2240539292 ZBTUWGOJSPUPMZ-SKDRFNHKSA-N 309.715 3.103 10 10 DGCE Cc1cc(O)c([C@@H](C)N2CCN(CCF)CC2)cc1Cl 2286443553 LJGRYCKZYCXGKR-GFCCVEGCSA-N 300.805 3.002 10 10 DGCE NCc1cc(F)c(N2CCC3(CCS3)CC2)cc1Cl 2270748916 PTOMCSYDNHJACK-UHFFFAOYSA-N 300.830 3.414 10 10 DGCE COCCNCc1cnc(SC[C@@H]2CC[C@@H](C)C2)s1 2268694512 ARCUAOCIAYOFSS-VXGBXAGGSA-N 300.493 3.407 10 10 DGCE COc1c(Cl)cc(C=C2SC(=S)NC2=O)cc1Cl 2297306690 WOUMTBMDJQXRQG-UHFFFAOYSA-N 320.222 3.491 10 10 DGCE O=C(C=Cc1ccc(Cl)cc1)NCCc1ccc(O)c(O)c1 2301396310 CTIJJPLBUABFMW-UHFFFAOYSA-N 317.772 3.123 10 10 DGCE CCCNCc1ccc(N2CCSC2)c(Br)c1 2303472514 SGZYHOIRJRIIGA-UHFFFAOYSA-N 315.280 3.459 10 10 DGCE CCc1ccc(C=CC(=O)N[C@H](C)c2cc(OC)ccc2O)o1 2309030355 JXPFHXYQLXEVDU-GFCCVEGCSA-N 315.369 3.447 10 10 DGCE Cc1ccc(CNC[C@]2(F)C[C@@H]2C)c(O)c1Br 2307572257 XRZLNXXJKXYIKZ-TVQRCGJNSA-N 302.187 3.301 10 10 DGCE Oc1cc(Br)ccc1CN[C@@H]1C[C@@H]2C[C@H]1[C@H]1C[C@@H]21 2309575464 QHHGYQIBANYJQZ-QXALJWCJSA-N 308.219 3.289 10 10 DGCE CCC1=NN(C)C(=O)C1=Cc1ccc(OC(C)C)c(OC)c1 2332125557 OLLWDCYWXXTNND-UHFFFAOYSA-N 302.374 3.104 10 10 DGCE CSc1ncc(CN[C@@](C)(CCC(C)C)C(=O)O)s1 2349497531 XPSXHRMICRPIDJ-ZDUSSCGKSA-N 302.465 3.234 10 10 DGCE O=[N+]([O-])c1ccc(O)c(CN(CCC(F)(F)F)CC2CC2)c1 177172296 JBPXESDPDGBFMI-UHFFFAOYSA-N 318.295 3.465 10 10 DGCE Cc1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)c(C)n1 174515640 HNURULXJYPLLSY-UHFFFAOYSA-N 310.397 3.213 10 10 DGCE C[C@@H](c1ccccc1O)N(C)c1nc(=N)[nH]c(Cl)c1Cl 2362902577 CPUJOGZMSFAQRO-ZETCQYMHSA-N 313.188 3.099 10 10 DGCE COc1ccccc1NC[C@@H](O)COc1cccc(Cl)c1 32208750 PGFVUCKMCBUCAW-CYBMUJFWSA-N 307.777 3.200 10 10 DGCE CC(C)c1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1ccccc1O 183552421 SEOUUKAFAYWZHW-JSGCOSHPSA-N 300.406 3.293 10 10 DGCE CCCC[C@]1(C)CN([C@@H](C)CN)c2cc(OC)c(OC)cc2N1 75280801 SQWSGYKYKOMMDG-SCLBCKFNSA-N 321.465 3.232 10 10 DGCE CO[C@@H](C)CN(C)[C@@H](C)c1cc(Br)ccc1O 379926936 SQHINJSCULZWPX-UWVGGRQHSA-N 302.212 3.182 10 10 DGCE C[C@H](CN(C)Cc1ccccc1)N[C@H](C)c1cc(O)ccc1O 381015878 UQTZCBFOHNTJIQ-HUUCEWRRSA-N 314.429 3.269 10 10 DGCE Cc1cc(O)c(O)cc1S(=O)(=O)c1ccc(F)c(Cl)c1 142297613 IYTXNXPBWJPKRQ-UHFFFAOYSA-N 316.737 3.032 10 10 DGCE Cc1cnc(CNC(=S)Nc2cc(F)ccc2F)c(C)c1 244289952 WVBCIFRLIBFDKB-UHFFFAOYSA-N 307.369 3.463 10 10 DGCE CCN[C@@H](c1ccc2c(c1)CCN2C)c1ncc(Cl)s1 2164165899 OLYQZWOCXOKVTM-AWEZNQCLSA-N 307.850 3.488 10 10 DGCE CCc1nc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(C)o1 803119983 CXBHIOYFPNDEHT-NSHDSACASA-N 301.390 3.102 10 10 DGCE Cc1cc(C)cc(-n2c(C)cc(C(=O)N3[C@H]4COC[C@H]3C4)c2C)c1 819733120 HIGIAAUJKKAHKH-QZTJIDSGSA-N 324.424 3.324 10 10 DGCE CCOc1ccc(O)c(CNC[C@@H]2CC23CCSCC3)c1 817411426 RJIUDBAVBVPNIH-AWEZNQCLSA-N 307.459 3.414 10 10 DGCE C/C=C\C[C@H](CO)NC(=O)c1cc(C)n(-c2ccccc2)c1C 588494601 RNCABILLTNNICY-YIEVGGLXSA-N 312.413 3.151 10 10 DGCE CC[C@H](NC[C@]1(OC(C)C)CCOC1)c1ccc(F)cc1O 903357218 LAYQGZCJHPZDLD-DOTOQJQBSA-N 311.397 3.156 10 10 DGCE Cc1cc(O)c(CN2CCC[C@H](c3ccnn3C)C2)c(Cl)c1 840912032 YGLWYDIUMLBILL-ZDUSSCGKSA-N 319.836 3.467 10 10 DGCE C[C@H]1Cc2ccccc2[C@@H]1NC(=O)NCCc1ccc(N)cc1 841809513 ZWYZSNVEYIFMKA-SCLBCKFNSA-N 309.413 3.044 10 10 DGCE Cc1cc(O)c(CN2CCC(CC(=O)N(C)C)CC2)c(Cl)c1 840936166 FTWJKVQQNCKBAP-UHFFFAOYSA-N 324.852 3.044 10 10 DGCE C[C@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)CCc2ccccc21 846515854 FHLVKLNGXKCWHK-LEJCZOIISA-N 323.392 3.299 10 10 DGCE CC[C@H](NC[C@@]1(CO)CCc2ccccc21)c1ccccc1O 846012372 YXGTUBBNQRGTIN-AZUAARDMSA-N 311.425 3.309 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)C(C)(C)OC 925485045 KYTORDOXKDTHOM-AWEZNQCLSA-N 321.465 3.098 10 10 DGCE COc1ccc(N(CCOC2CCOCC2)CC(C)C)cc1 859175056 BRCDXIIKAJREPF-UHFFFAOYSA-N 307.434 3.353 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@@H](C2CCC2)C1 856171858 BBVBSVPJAZZOIW-LOWQCSRCSA-N 301.386 3.150 10 10 DGCE Cc1ccc(C[C@H](C)N(C)Cc2cc3c(cc2O)OCO3)cc1 769464415 WNLPJKGZUPCTQP-AWEZNQCLSA-N 313.397 3.492 10 10 DGCE C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@H](C)C1(F)F 862442581 IRZQSBBJVOYZEL-GJZGRUSLSA-N 324.415 3.246 10 10 DGCE COC(=O)/C=C/c1ccc(N2CCC[C@](C)(F)C2)c([N+](=O)[O-])c1 1117757346 SPKNSVLSPPXQCT-YERXGYGTSA-N 322.336 3.109 10 10 DGCE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1c1ccc(N)cc1 1959572431 MSTMGDKSDKJXNV-GXTWGEPZSA-N 305.422 3.151 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(CC)ccc1O 1157101882 FSSIMVPXYYMMTA-UHFFFAOYSA-N 320.385 3.076 10 10 DGCE CCc1cnc(NC(=O)c2cc3cc(O)c(O)cc3s2)o1 1179412541 BCQSARSDOSGQPU-UHFFFAOYSA-N 304.327 3.115 10 10 DGCE CN[C@H](C)c1ccc(N(Cc2ccccc2)C[C@H](C)O)cc1O 1914606735 BMCFSORYNBQATN-LSDHHAIUSA-N 314.429 3.060 10 10 DGCE Cc1ncnc(NCc2cccc(Br)c2O)c1C 1458362930 FBWLYMNQQOHZIA-UHFFFAOYSA-N 308.179 3.174 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1ncc2n1CCCC2 1456310996 RRKCGCAPQNYOEB-UHFFFAOYSA-N 321.380 3.008 10 10 DGCE CCN(/C=C1/SC(=S)N(c2ccc(F)cc2)C1=O)CC 1097669 HYIGHKTYKUPVKX-FMIVXFBMSA-N 310.419 3.374 10 10 DGCE Cc1c([C@@H](CN)NC(=O)OC(C)(C)C)c2ccccc2n1C 1536009812 NUEHFDYTNWFXSC-CYBMUJFWSA-N 303.406 3.011 10 10 DGCE CCN(CC)c1ccc(CNC(=O)C2(c3cccnc3)CC2)cc1 1626086181 XPXJJYKTYNHJIY-UHFFFAOYSA-N 323.440 3.276 10 10 DGCE CN(C)c1ccc(CNC(=O)c2cc(F)cc(Cl)c2N)cc1 1628708391 KYLAKMGZRCEZJX-UHFFFAOYSA-N 321.783 3.057 10 10 DGCE CNCc1ccc(N2CC3(CC=CC3)C2)cc1Br 1925217633 WZDOYNJKSMXKGL-UHFFFAOYSA-N 307.235 3.325 10 10 DGCE CCCNc1ccccc1NC(=O)Cc1ccc(O)c(O)c1 1567442400 GSSCCUVPZPTDTK-UHFFFAOYSA-N 300.358 3.101 10 10 DGCE CCN(C)c1ccc(CN2CCN(C)[C@@H](C(C)(C)C)C2)cc1 1646537140 SVQAKZYVNUVBFT-GOSISDBHSA-N 303.494 3.305 10 10 DGCE COc1cc(N2CC(CC(F)(F)F)C2)c([N+](=O)[O-])cc1OC 1655251165 YUNSHLATPFMKDC-UHFFFAOYSA-N 320.267 3.001 10 10 DGCE C[C@H](NC(=O)NC[C@@]12CCC[C@@H]1C2)c1ccc(N(C)C)cc1 1686173136 CDUBUMLUESEMJU-JOQOYGCGSA-N 301.434 3.303 10 10 DGCE CCCN[C@H]1C(=O)Nc2cc(N3CC=CCC3)c(Cl)cc21 167764557 RZILCQRPBLRLPX-OAHLLOKOSA-N 305.809 3.099 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]([C@H](N)c1ccccc1O)C(C)(C)F 1962150782 MAFPWRVXQFHYRV-OLZOCXBDSA-N 312.385 3.033 10 10 DGCE CN1N=C(c2ccccc2)/C(=C/c2cn(C)c3ccccc23)C1=O 1865670686 MQAXLPYQAQHKLU-ATVHPVEESA-N 315.376 3.438 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@]2([C@@H](N)c2ccccc2O)C1 1936985186 SKBHUKJPYPHPHW-ZQUVKOLYSA-N 318.417 3.085 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N(CCCN=[N+]=[N-])C1 1962297852 BAGBQDRZJNPVOG-QWHCGFSZSA-N 311.430 3.264 10 10 DGCE C[C@@H](NCC1(Br)CCC1)c1ccc(O)cc1O 2002766296 CQYDUDAFHZIWLP-SECBINFHSA-N 300.196 3.066 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CC[C@@H]2Nc1ccc(N)cc1 1977658588 BUFWUXZWANEEEK-WQVCFCJDSA-N 317.433 3.469 10 10 DGCE CC(C)(C)OC(=O)NC[C@H]1CCCCN1Cc1ccc(N)cc1 1977897006 OBXMDMQKUNLPHD-MRXNPFEDSA-N 319.449 3.148 10 10 DGCE CN1CCc2cc([C@@]3(N)CC[C@@H]3OCc3ccccc3)ccc21 1977938067 GBUYAKDWWRUNLL-PMACEKPBSA-N 308.425 3.212 10 10 DGCE C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)[C@H](O)c1ccc(N(C)C)cc1 1977960772 WJOVUNDGYGKXOA-WWGRRREGSA-N 322.449 3.335 10 10 DGCE CCN[C@@H](c1ccccc1O)[C@H]1C=CCN1C(=O)OC(C)(C)C 1983476424 SAWYHTDNMBPWQL-ZBFHGGJFSA-N 318.417 3.218 10 10 DGCE O[C@@H]1CCc2cc(N3CC[C@H](OCc4ccccc4)C3)ccc21 1986603063 QFWWRMUTTDUNNT-AZUAARDMSA-N 309.409 3.462 10 10 DGCE CCCNCc1ccc(N(C)Cc2csnn2)cc1Cl 2150304698 FYSCETPOXUVCTQ-UHFFFAOYSA-N 310.854 3.328 10 10 DGCE CN1CCc2cc([C@H](N)[C@H]3CCN(Cc4ccccc4)C3)ccc21 2015162528 SEBZJKGHRDQOMH-FPOVZHCZSA-N 321.468 3.201 10 10 DGCE CN(C[C@@H]1CC[C@H]2C[C@H]21)c1ccc(CN)cc1Br 2040241985 WIYQRMXEBAETES-RWMBFGLXSA-N 309.251 3.390 10 10 DGCE C[C@@H](NCc1ccc(Br)o1)c1ccc(O)cc1O 378943929 KGFDHLULJUUCRF-MRVPVSSYSA-N 312.163 3.304 10 10 DGCE Clc1ccsc1COc1ccc(N2CCNCC2)cc1 380146587 RBGRFPRWEFITSI-UHFFFAOYSA-N 308.834 3.390 10 10 DGCE C[C@H](N)c1ccc(N2CCO[C@@H](C)[C@@H]2C)cc1Br 380487180 ADLGHSYRYLDCPS-DCAQKATOSA-N 313.239 3.082 10 10 DGCE CN(C(=O)Cc1ccccc1Br)c1ccc(N)cc1 692421804 ASEXEZMRZBGFLF-UHFFFAOYSA-N 319.202 3.237 10 10 DGCE O[C@H]1CCc2cc(N3CCS[C@H](C(F)(F)F)C3)ccc21 2184732313 SLCOCOLCDCJSEO-STQMWFEESA-N 303.349 3.150 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@@H]3C[C@@H]3[C@H]3C[C@@H]32)c(Br)c1 2053731829 YQPHRBFMDJCPND-DPXQDECBSA-N 307.235 3.313 10 10 DGCE Cc1cocc1CNCc1cc(Br)cc(F)c1O 2066412672 WULAYXINFBMVTO-UHFFFAOYSA-N 314.154 3.485 10 10 DGCE COc1ncc(Cl)cc1CNCc1cc(Cl)ccc1O 2232911804 GNOUOEUPZDWJGR-UHFFFAOYSA-N 313.184 3.392 10 10 DGCE CC(=O)Oc1ccc(C=C2C(=O)N(c3ccccc3)N=C2C)cc1 2293426847 BOFBRFGLVZDACG-UHFFFAOYSA-N 320.348 3.418 10 10 DGCE Cc1ccc(CN(C)CCOC2CC2)c(O)c1Br 2327614841 HBGBTZCXPDVRPB-UHFFFAOYSA-N 314.223 3.074 10 10 DGCE Cc1ccc(CN=c2cc[nH]cc2F)c(O)c1Br 2327802166 XQNPSQFCHDAZTK-UHFFFAOYSA-N 311.154 3.031 10 10 DGCE Cc1cc(NCc2ccc(C)c(Br)c2O)[nH]c(=N)c1 2352944389 HCQBWUWJJPIDQW-UHFFFAOYSA-N 322.206 3.191 10 10 DGCE CCC(CC)N(CCO)Cc1cc(Cl)cc(C(C)=O)c1O 50151821 BVYAOHKPKDGYLH-UHFFFAOYSA-N 313.825 3.231 10 10 DGCE C[C@H](N)c1ccc(N2C[C@@H](C)OC[C@H]2C)c(Br)c1 109567270 YGKQBZDYTCPKSZ-MXWKQRLJSA-N 313.239 3.082 10 10 DGCE C[C@@H](N)c1cc(OC(F)(F)F)cc(Br)c1O 309329231 UPKWMWARKUGTRH-SCSAIBSYSA-N 300.074 3.073 10 10 DGCE C[C@H]1CN(c2ccc(CN)cc2Br)C[C@H](C)S1 212859032 JZMLOSABLXYDTH-UWVGGRQHSA-N 315.280 3.238 10 10 DGCE COc1ccc(O)c(CN(C)CCc2ccccc2OC)c1 180066367 OEWFASCLIJOOFW-UHFFFAOYSA-N 301.386 3.084 10 10 DGCE COc1ccc(N2CCN(C3CC(OC(C)(C)C)C3)CC2)cc1 132101841 RHKWVENMNKBQRI-UHFFFAOYSA-N 318.461 3.163 10 10 DGCE Cc1ccc(O)c(CN[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)c1 227629833 QLUIJVBWPZPXDQ-LSDHHAIUSA-N 320.433 3.236 10 10 DGCE Cc1nn(C)c(C)c1NCc1cccc(Br)c1O 42411794 YOZJAQGYWHNCEL-UHFFFAOYSA-N 310.195 3.117 10 10 DGCE CC(C)(C)[C@@H]1CN(c2ccc(OC(F)(F)F)cc2)CCN1 86122616 VYYQMUMGFRUNEK-ZDUSSCGKSA-N 302.340 3.410 10 10 DGCE CCOC(=O)CCC(=O)N(c1ccccc1)c1ccc(N)cc1 243429568 MYKJBSOMWYOMIA-UHFFFAOYSA-N 312.369 3.277 10 10 DGCE C[C@H](N[C@@H]1CCNC12CCC2)c1cc2c(cc1O)CCCC2 530219306 ZTNWMDVAUNXHCV-SCLBCKFNSA-N 300.446 3.206 10 10 DGCE C[C@@H](N[C@H](C)c1cc(Br)ccc1O)c1cn[nH]c1 273353076 CEGHOFKGGTZVBZ-RKDXNWHRSA-N 310.195 3.290 10 10 DGCE Cc1cc2c(cc1C)N(C(=O)/C=C/c1ccc(O)c(O)c1)CC2 804320767 VXHICWTZAZFGLJ-GQCTYLIASA-N 309.365 3.317 10 10 DGCE CC[C@@H](N[C@@H](CCOC)COC)c1cc(Cl)ccc1O 810257700 TZSPATLJGTYNGQ-GXTWGEPZSA-N 301.814 3.138 10 10 DGCE COc1cc(Br)cc(CNC2C[C@H]3C[C@@H]3C2)c1O 818238838 OLOJUBPOEJMDNU-RKDXNWHRSA-N 312.207 3.051 10 10 DGCE COc1cccc([C@@H]2C[C@H]2C(=O)N[C@H](C)c2ccccc2O)c1 827952221 KFQVXMLKPATZCW-OAUYIBNBSA-N 311.381 3.382 10 10 DGCE Cc1cnccc1/C=C/C(=O)N[C@H](C)c1ccc(N(C)C)cc1 829817726 QBJDBVBZELNLMN-JOZWUWCOSA-N 309.413 3.347 10 10 DGCE C[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCO1 908210743 CKVOHPZBRBXMAB-UFBFGSQYSA-N 318.200 3.130 10 10 DGCE CSCCCCCCNC(=O)/C=C\c1ccc(O)c(O)c1 588431825 YOEBMQBMZWMEQL-CLFYSBASSA-N 309.431 3.151 10 10 DGCE C[C@H](NC[C@@H]1CC[C@H](C(F)(F)F)O1)c1cc(F)ccc1O 903179554 QHACUBDEGYBBHV-GMOODISLSA-N 307.287 3.292 10 10 DGCE C[C@@H]1CN(C/C=C/c2ccc(N(C)C)cc2)CCN(C2CC2)C1 835055549 WATDATCUXOHLKZ-LAQIPUCWSA-N 313.489 3.182 10 10 DGCE Cc1cc(Cl)cc(CN2CCc3cc(Cl)nnc3C2)c1O 843419288 YAFOXHUXUAKQAB-UHFFFAOYSA-N 324.211 3.356 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](Oc3ccc(N)cc3)CC[C@H]2C1 1897318876 JZMVCAXDKJZHFC-MAZHCROVSA-N 318.417 3.293 10 10 DGCE Cc1cc(O)c(CN(C)Cc2nncn2C(C)C)c(Cl)c1 840949912 FYISKGHXJUHOBO-UHFFFAOYSA-N 308.813 3.158 10 10 DGCE Cn1ncc(C2CCC2)c1CNCCCSc1nccs1 850142756 AGTJNWSCGMFWHW-UHFFFAOYSA-N 322.503 3.416 10 10 DGCE Cc1ccc(O)c([C@H](C)N[C@H]2C(=O)N(C)Cc3ccccc32)c1 857875467 PFZNBESSTNEPCR-SCLBCKFNSA-N 310.397 3.065 10 10 DGCE COC[C@@](C)(CO)N(C)c1ccc(OCc2ccccc2)cc1 1899870957 RKTWCKYOBQPWBK-LJQANCHMSA-N 315.413 3.099 10 10 DGCE COC(=O)/C=C/c1ccc(N2CC[C@H](C(C)C)C2)c([N+](=O)[O-])c1 756141825 ZAULWCNYPQQALG-DYLGSBMWSA-N 318.373 3.263 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCCCCF 861789152 OPGNLORFOYNPHE-UHFFFAOYSA-N 316.376 3.386 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@H]3C[C@H](O)C[C@H]2C3)cc1 871103855 IZWIRHMNPDZRCY-LZQZEXGQSA-N 324.424 3.080 10 10 DGCE COC(=O)c1cnc(CN(C)c2ccc(OC(C)C)cc2)s1 894568312 ZGTAVSJKVLNLPG-UHFFFAOYSA-N 320.414 3.353 10 10 DGCE Cc1ccc(CN(CCO)Cc2c(O)ccc(Cl)c2F)o1 793365241 JFVOXTCSXTZCHS-UHFFFAOYSA-N 313.756 3.081 10 10 DGCE C[C@@H](NC[C@@H]1CCN1Cc1ccccc1)c1cc(O)ccc1O 716299014 OORDZOFVBTYYQJ-ZBFHGGJFSA-N 312.413 3.023 10 10 DGCE CN(C)c1cc(F)c(CNC2CC3(C2)CC3(F)F)cc1F 1328782005 ARHZJQMNFSGQKN-UHFFFAOYSA-N 302.315 3.308 10 10 DGCE CN[C@@H](C)c1ccc(N(CCCO)Cc2ccccc2)cc1O 1914615287 WPGQQXPVQNJIMU-HNNXBMFYSA-N 314.429 3.062 10 10 DGCE CCCC(=O)N1CC[C@@](C)(CNCc2ccc(OC)c(C)c2)C1 1270672978 UMOILKYYSCWHFV-IBGZPJMESA-N 318.461 3.132 10 10 DGCE [N-]=[N+]=NC1CN(C(=O)c2ccc(Cl)cc2C(F)(F)F)C1 1912166044 RJJLMXLIXOXRDL-UHFFFAOYSA-N 304.659 3.494 10 10 DGCE [N-]=[N+]=NC1CCN(Cc2sncc2Br)CC1 1912160086 QDYLFRCUCJDLSZ-UHFFFAOYSA-N 302.201 3.180 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)/C=C/c1ccc(C=O)cc1 1628793480 LJTNGUWUWMLARU-JLHYYAGUSA-N 322.408 3.237 10 10 DGCE CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)/C=C/c1ccc(O)c(O)c1 1636923187 XJYIDZAVVBTVNY-ICGPHACGSA-N 319.401 3.327 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCc3ccccc32)cc1 1633602799 BMIKDICOVHUPFR-AWEZNQCLSA-N 322.368 3.309 10 10 DGCE Cc1cc(C)cc(CN(C)C(=O)c2c(F)ccc(O)c2O)c1 1641530381 ZOXDRIAFSCUSAJ-UHFFFAOYSA-N 303.333 3.126 10 10 DGCE Cc1cc(CN2CCOC(C3CC3)(C3CC3)C2)ccc1N(C)C 1647866080 GYQSDPFQVCVDHG-UHFFFAOYSA-N 314.473 3.452 10 10 DGCE C[C@@H](NCc1cccc(Br)n1)c1ccccc1O 1659815269 CUHDLNVAKQQUEE-SNVBAGLBSA-N 307.191 3.401 10 10 DGCE COC(=O)C(C)(C)CN(Cc1ccc(N(C)C)cc1)CC(C)C 1655447529 INMOFNNZCHPVEM-UHFFFAOYSA-N 320.477 3.410 10 10 DGCE CCN1C(=O)/C(=C/N2CCCc3ccccc32)SC1=S 2431592 XSXQLKSEPVVSQV-RAXLEYEMSA-N 304.440 3.161 10 10 DGCE CC[C@H]1CCCCN1[C@@H](C(=O)Nc1ccc(N)cc1)C(C)C 251725252 KDLILAFLJFHLON-DLBZAZTESA-N 303.450 3.496 10 10 DGCE CN[C@@H](c1ccccc1O)[C@]1(C)CCCN1C(=O)OC(C)(C)C 1936975738 OGDSKWCODBONFH-YJBOKZPZSA-N 320.433 3.442 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[C@@H](N)c1ccccc1O 1936988122 ZAXDJEAROUGTPY-UMVBOHGHSA-N 320.433 3.285 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@@]21[C@H](N)c1ccccc1O 1937342943 UDSPGFUOBFADFY-PNPHSEOMSA-N 318.417 3.182 10 10 DGCE CCCN(CCN=[N+]=[N-])C1CCN(C(=O)OC(C)(C)C)CC1 1962298058 BSGYWNHXQOCVSA-UHFFFAOYSA-N 311.430 3.408 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]2CCC[C@@H]2N1CCN=[N+]=[N-] 1962301789 WTGVSEWWFAXKEK-AGIUHOORSA-N 309.414 3.064 10 10 DGCE CC(C)N[C@@](CO)(CSc1nccs1)CC1(C)CC1 2142899432 IFSXNIPQPKPSAX-AWEZNQCLSA-N 300.493 3.155 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CCN(CCN=[N+]=[N-])CC12CCC2 1962303188 FNPIECVMQACGQH-LBPRGKRZSA-N 309.414 3.066 10 10 DGCE C[C@H](C[C@@H](N)c1ccc(N(C)C)cc1)N(C)C(=O)OC(C)(C)C 1977944780 JPBPBEHGUYULRH-CZUORRHYSA-N 321.465 3.398 10 10 DGCE CCS[C@@H]1CCN(c2ccc(CN)cc2C(F)(F)F)C1 382965233 SDUCNPOWEUSFTJ-LLVKDONJSA-N 304.381 3.496 10 10 DGCE CCCN[C@H](C)c1ccc(N(C)CC[S@](C)=O)cc1Cl 399048070 WVBYJKMHTDLDTL-ODXCJYRJSA-N 316.898 3.215 10 10 DGCE COc1ccc([C@H](C)n2nc(CC(C)C)cc2C=O)c(O)c1 2070032507 KJSJXWBAKIGZDE-LBPRGKRZSA-N 302.374 3.218 10 10 DGCE OCc1cc(C2CCCC2)nn1Cc1ccc(Cl)cc1O 2070199445 CCFUCEPBPPAISE-UHFFFAOYSA-N 306.793 3.440 10 10 DGCE Cc1cccc(Cn2nc(CO)c(Cl)c2C(F)(F)F)c1O 2079162848 USUBQCBKUQIYJD-UHFFFAOYSA-N 320.698 3.110 10 10 DGCE Cc1cc(O)c([C@@H](C(C)C)n2nc(C3CC3)c(N)c2N)cc1C 2079987432 UWLMSPVCFVQKTM-QGZVFWFLSA-N 314.433 3.493 10 10 DGCE COC(=O)c1cnc(Sc2ccc(NC(C)=O)cc2)s1 2182631636 JBJKGOCDCHJATF-UHFFFAOYSA-N 308.384 3.039 10 10 DGCE C[C@@H]1C[C@@H](CN)CCN1Cc1cc(Cl)cc(Cl)c1O 2091833065 HGDQVAZYHDUAMX-ZJUUUORDSA-N 303.233 3.258 10 10 DGCE C[C@@H](N)c1ccc(N2CC[C@H]3C[C@@]3(F)C2)c(Br)c1 2222694685 SGQKYWZAJFQRAX-OLUVUFQESA-N 313.214 3.407 10 10 DGCE C[C@H](N)c1ccc(N(C)CC2(F)CCOCC2)cc1Cl 2238277350 PUIZIMHPGNJANV-NSHDSACASA-N 300.805 3.315 10 10 DGCE CSc1ncc(CNCCC[C@@H](N)c2ccccc2)s1 2284726974 UAUUFESJIBKFCH-CQSZACIVSA-N 307.488 3.435 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN(C(=O)c2cocc2Br)C1 2258127566 JYMYVWFKWSDMPQ-QMMMGPOBSA-N 313.155 3.205 10 10 DGCE COc1cccc(O)c1CNc1cnccc1Br 2264146744 PGFQHKJVIKBJSQ-UHFFFAOYSA-N 309.163 3.170 10 10 DGCE CC(=C1SC(=S)NC1=O)c1ccc(Br)cc1 2297297148 OBRPCNBOXUKRNG-UHFFFAOYSA-N 314.229 3.328 10 10 DGCE CCN(CC)c1cc(NCc2cnc(SC)s2)ncn1 2284500292 PMGRNJMXEDQDPI-UHFFFAOYSA-N 309.464 3.113 10 10 DGCE CSc1ncc(CN2C[C@@H](C3CC3)NC[C@H]2C(C)C)s1 2284678429 WGCVRECZNWGSOF-KBPBESRZSA-N 311.520 3.073 10 10 DGCE Cc1nc2cc(C(=O)O)ccn2c1N=Nc1ccccc1C(=O)O 2295926711 TWPWMYYIWVESFZ-UHFFFAOYSA-N 324.296 3.455 10 10 DGCE O=C1N=C(N2CCCCC2)SC1=Cc1ccc([N+](=O)[O-])s1 2308200153 ODCNCBRNHMDEQN-UHFFFAOYSA-N 323.399 3.113 10 10 DGCE CCN(CCN=[N+]=[N-])C(=O)c1ccc(Br)c(F)c1 2315988433 IGXHMLYTSQIESG-UHFFFAOYSA-N 315.146 3.361 10 10 DGCE Cc1ccc(CNC[C@@H]2[C@H](C)C2(F)F)c(O)c1Br 2327793320 ULFJOSPBEVSVMJ-WCBMZHEXSA-N 320.177 3.454 10 10 DGCE Cc1ccc(CN(C)c2ccc(N)cn2)c(O)c1Br 2352623451 HUKIXCUJAQUYGT-UHFFFAOYSA-N 322.206 3.077 10 10 DGCE CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/NCc1ccco1 100483195 OCBOYPKOWKWWOW-XNTDXEJSSA-N 315.760 3.329 10 10 DGCE CCN(Cc1ccc(N)cc1)c1cccc(Cl)c1C(N)=O 52906546 QJJGJZHDGQIRHP-UHFFFAOYSA-N 303.793 3.048 10 10 DGCE CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F 175507161 WAMWPYAJUJXZTO-UKRRQHHQSA-N 317.335 3.433 10 10 DGCE Cc1ncsc1CN(C)c1ccc(CNC2CC2)cc1F 111672282 ITRLBILTALOVLK-UHFFFAOYSA-N 305.422 3.479 10 10 DGCE C[C@H](NC(=O)Nc1ccc(N)cc1)Oc1ccc(Cl)cc1 217294403 RBIPLDBILDVBTR-SNVBAGLBSA-N 305.765 3.469 10 10 DGCE CCc1cc(C(=O)NCc2ccc(N(C)C)cc2)cc(Cl)n1 317372757 GMXCZYUTVZGSSG-UHFFFAOYSA-N 317.820 3.293 10 10 DGCE Cc1ccccc1-c1nc(CN(C)Cc2ccccc2O)no1 128446439 GHVZRMOGDTXFQG-UHFFFAOYSA-N 309.369 3.383 10 10 DGCE COC(=O)c1cc(Cl)ccc1NCc1cccc(O)c1O 41116931 YPNLAMBEMRUMRV-UHFFFAOYSA-N 307.733 3.150 10 10 DGCE COc1ccc(N2CCN(C(=O)C[C@@H](C)C(C)C)CC2)cc1F 84815629 CEXXITYZAILAPR-CQSZACIVSA-N 322.424 3.165 10 10 DGCE CN(Cc1cc2c(cc1O)CCC2)Cc1nccn1C(F)F 193260717 TUTXXZAEDRNVIG-UHFFFAOYSA-N 307.344 3.105 10 10 DGCE COc1ccc(N2CC[C@H](N[C@H]3CS[C@@H](C(C)C)C3)C2)cc1 826845868 MNWHOEJFRVBRFD-HDMKZQKVSA-N 320.502 3.394 10 10 DGCE CN(C)c1ccc(/C=C/CN2CC[C@H](N3CCCCC3)C2)cc1 835027277 JSHNKVUUHKXCIM-YJJPMGAVSA-N 313.489 3.326 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCOc3ccc(N)cc3C2)cc1 903943756 BMLBRMITHDHVKP-ONEGZZNKSA-N 323.440 3.243 10 10 DGCE COc1cc(O)c(CNCc2cccc(C)c2OC)cc1OC 848923029 CKUFPBVIKSHZRS-UHFFFAOYSA-N 317.385 3.016 10 10 DGCE FC(F)(F)[C@@H](C[C@@H]1CCCO1)NCc1ccc2c(c1)CCO2 848573854 KLEPEIODGUBHMR-DZGCQCFKSA-N 315.335 3.211 10 10 DGCE COc1cc(C)cc(CN(C)[C@@H]2C[C@@](C)(OC)C2(C)C)c1O 754736870 ONVIWAIOOLOVSE-CRAIPNDOSA-N 307.434 3.345 10 10 DGCE Cc1ccncc1/C=C\C(=O)N1CCc2cc(F)c(F)cc21 783907272 QRCCNJOMPJVUQC-IHWYPQMZSA-N 300.308 3.271 10 10 DGCE CCOc1ccc(N2CC[C@H](CNCCCOC(C)C)C2)cc1 76365075 NXJBCXYVRXSFAW-QGZVFWFLSA-N 320.477 3.316 10 10 DGCE COc1ccc2c(c1)NC1(CN2C)CC(C)(C)NC(C)(C)C1 76934543 JKVDFLCGOLYANE-UHFFFAOYSA-N 303.450 3.236 10 10 DGCE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NCc1cc(F)ccc1O 389836459 KLYJJEKEBPWQJY-KDOFPFPSSA-N 314.404 3.141 10 10 DGCE Cc1ccc([C@H](C)NCc2cn(C)nc2Br)c(O)c1 720680892 KLYFPNYZKXCYRP-JTQLQIEISA-N 324.222 3.047 10 10 DGCE CC[C@@H](NCc1c(O)cccc1Br)c1ncc[nH]1 706804667 NIPRQEZFGHPZHD-LLVKDONJSA-N 310.195 3.119 10 10 DGCE Cc1noc(-c2ccccc2)c1NC(=O)Cc1ccc(O)c(O)c1 1138057679 OTRFFMYQWXXZBX-UHFFFAOYSA-N 324.336 3.242 10 10 DGCE COC(=O)/C=C\c1ccc(N2CC(C)=C[C@H](C)C2)c([N+](=O)[O-])c1 797438743 HGXZKRQHQYCGHG-HWPRWLFBSA-N 316.357 3.183 10 10 DGCE Cc1cccc(N)c1N[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 1959373609 KUEYBDUAEZKDDX-KBPBESRZSA-N 305.422 3.435 10 10 DGCE COc1ccc(C[C@@H](C)N(C)Cc2cc(OC)ccc2O)cc1 1319825798 FDMBKOCGMFCKEJ-CQSZACIVSA-N 315.413 3.472 10 10 DGCE Cc1cc(S(=O)(=O)NCC2(CN=[N+]=[N-])CC2)sc1Cl 2117724807 NVCKUBBCLOTZHM-UHFFFAOYSA-N 320.827 3.079 10 10 DGCE Cc1nc(CC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)sc1C 1320441939 ZJYSRSBLJAFCBW-LBPRGKRZSA-N 317.458 3.246 10 10 DGCE COC1(C(F)(F)CNCc2cccc(Cl)c2O)CCC1 1912521559 SIMAYRCQLQOQHQ-UHFFFAOYSA-N 305.752 3.340 10 10 DGCE C[C@H](NCCOC1CCSCC1)c1ccc(N(C)C)cc1 1354626788 NOWKAPMCNNGKGY-AWEZNQCLSA-N 308.491 3.315 10 10 DGCE CCc1cnc2[nH]cnc(NCc3ccc4c(c3)CCCN4C)c1-2 1458133906 WHRZZHCSGDWEQD-UHFFFAOYSA-N 321.428 3.466 10 10 DGCE Cc1ncccc1/C=C/C(=O)N1CCOc2c1ccc(F)c2F 1525635198 UYQUZUMFJMPVOH-QPJJXVBHSA-N 316.307 3.107 10 10 DGCE C[C@@H]1C[C@@H]2C[C@H]2C[C@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 1532654729 BLSIFIOWPYRXQD-HGTKMLMNSA-N 314.429 3.160 10 10 DGCE CN(C)c1ccc(CN2CCC[C@@H]2[C@H](O)c2ccccc2)cc1 1620481897 UZNKASBQMADKHY-WOJBJXKFSA-N 310.441 3.451 10 10 DGCE Cc1ccc([C@@H](C)N(C)C(=O)Cc2ccc(O)c(O)c2)c(C)c1 1629737779 OIYUUJAOZSWUKS-CQSZACIVSA-N 313.397 3.477 10 10 DGCE CC[C@@]1(F)CCN(c2ccc(CN)cc2Br)C1 1925577422 DAVPBUASXKWRER-CYBMUJFWSA-N 301.203 3.236 10 10 DGCE CC[C@@]1(F)CCN(Cc2cccc(Br)c2O)C1 1925576238 PWKRQKLJTSPKET-CYBMUJFWSA-N 302.187 3.479 10 10 DGCE Cc1ncsc1/C=C/C(=O)NCc1cc(Cl)ccc1O 1639968217 CHPJWBPKHIZTJW-SNAWJCMRSA-N 308.790 3.140 10 10 DGCE O=Cc1ccc(F)c(C(=O)NCc2c(O)ccc3ccccc23)c1 1635969646 VFPLBPQPQRZAKI-UHFFFAOYSA-N 323.323 3.427 10 10 DGCE O=C(CSc1ccc2c(c1)CCO2)c1ccc(O)c(O)c1 1652036228 OHDPTUPHTKVBLG-UHFFFAOYSA-N 302.351 3.008 10 10 DGCE C[C@H](NC(=O)NC[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C)c1ccc(N(C)C)cc1 1671852161 RYGCXMBOOOHKAB-YAHNNNEBSA-N 315.461 3.405 10 10 DGCE CCC(=O)CNC(=O)CCn1c2c(c3ccccc31)CCCC2 1850092606 XBRZJYBPSVUWLC-UHFFFAOYSA-N 312.413 3.006 10 10 DGCE COc1cc2c(cc1OC)[C@H](CCc1ccc(N)cc1)NCC2 208615347 LSDIRVOOZVIJJP-KRWDZBQOSA-N 312.413 3.106 10 10 DGCE CC12CN(C(=O)OC(C)(C)C)C([C@H](N)c3ccccc3O)(C1)C2 1936981309 KXEYIDSAALIXJI-RWBZWWBESA-N 318.417 3.182 10 10 DGCE C[C@H]1CCN(c2ccc(CO)cc2Br)C[C@@H]1F 1946883667 XIEQFRIQOSMFGR-CABZTGNLSA-N 302.187 3.126 10 10 DGCE Cc1cccc(O)c1CNCCC[C@@H](C)NC(=O)OC(C)(C)C 1971938751 ITHGTVBKGXHFGH-CQSZACIVSA-N 322.449 3.484 10 10 DGCE CCN1CCc2cc([C@H](O)CCNC(=O)OC(C)(C)C)ccc21 1977958606 NPXABUFZJJTHPP-MRXNPFEDSA-N 320.433 3.017 10 10 DGCE CN1CCc2cc([C@@H](O)[C@@H]3CCN(Cc4ccccc4)C3)ccc21 2015152783 HQFSAAQDTWXKDR-TZIWHRDSSA-N 322.452 3.234 10 10 DGCE C[C@@H](O)c1ccc(N(C)C2(CO)CCSCC2)cc1Cl 2171173608 YWHMXLCBHPGHQK-LLVKDONJSA-N 315.866 3.088 10 10 DGCE CN[C@@H](C)c1ccc(N2CC(C(F)F)C2)c(Br)c1 706446948 UWMALMLCYWFQPI-QMMMGPOBSA-N 319.193 3.431 10 10 DGCE Cc1cccnc1CNCc1c(O)cccc1Br 706868735 OJIGDMWBRKVBQV-UHFFFAOYSA-N 307.191 3.148 10 10 DGCE Nc1ncc(F)cc1OCc1ccc(F)cc1Br 723418678 YXCQWUSAFMTBGN-UHFFFAOYSA-N 315.117 3.284 10 10 DGCE CCc1nn(Cc2c(C)cccc2O)c(C(F)F)c1[N+](=O)[O-] 2079039914 KTLQVNHSCSOUHG-UHFFFAOYSA-N 311.288 3.354 10 10 DGCE Nc1cccc(Br)c1N[C@@H]1CCNC2(CCC2)C1 2071648215 LJWUXDGTVZVQTL-SNVBAGLBSA-N 310.239 3.118 10 10 DGCE CCN1CCc2cc([C@H](N)c3ccc(Br)o3)ccc21 2106792708 GOCMYWBAENLUBL-HNNXBMFYSA-N 321.218 3.473 10 10 DGCE OCc1ccc(N2Cc3ncsc3C2)cc1C(F)(F)F 2201391508 KPZZMMUPLREECO-UHFFFAOYSA-N 300.305 3.174 10 10 DGCE COc1ccc(Br)c(CNC[C@]2(C)C[C@H]2C)c1O 2220462728 QELZBIRSEPVEOO-OTYXRUKQSA-N 314.223 3.299 10 10 DGCE CNCc1c(Cl)nc(Cl)n1Cc1cnc(SC)s1 2257100964 MAJAWSAIDTWQOG-UHFFFAOYSA-N 323.274 3.136 10 10 DGCE C[C@H](c1ccc(Cl)cc1O)N1CCO[C@@H](P(C)(C)=O)C1 2289225367 JYZNGWHEQSKQSY-YGRLFVJLSA-N 317.753 3.388 10 10 DGCE CCn1cc(N2C(=O)C(=Cc3ccsc3)SC2=S)cn1 2297436766 RHGAKVREIPRADS-UHFFFAOYSA-N 321.452 3.370 10 10 DGCE Cc1ccc(CNCc2ccccn2)c(O)c1Br 2327798526 IXXYCMKAYJBECA-UHFFFAOYSA-N 307.191 3.148 10 10 DGCE CCN(Cc1ccc(N)cc1)c1ccc(Cl)cc1C(N)=O 52858854 DVIJWSZLKUEJSM-UHFFFAOYSA-N 303.793 3.048 10 10 DGCE Nc1ccc(NC(=O)CC[S@](=O)c2cccc(Cl)c2)cc1 54186075 FMWMNOWOIVNZHX-OAQYLSRUSA-N 322.817 3.059 10 10 DGCE COC(=O)[C@H](NCc1c(O)cccc1Cl)c1ccccc1 127318657 BFCCITNGDDOWGW-OAHLLOKOSA-N 305.761 3.050 10 10 DGCE COc1cc2c(cc1OC)N(CC(C)(C)N)C[C@](C)(C(C)C)N2 75280771 APQQATXFVLLDOW-GOSISDBHSA-N 321.465 3.088 10 10 DGCE CCN[C@@H]1C(=O)Nc2cc(N(CC)CC(C)C)c(Cl)cc21 92750345 CPOORTCQFAZSIS-HNNXBMFYSA-N 309.841 3.425 10 10 DGCE Cc1cc(O)c(CN(CC(N)=O)[C@H](C)c2ccccc2)cc1C 93734314 IUYHQCHQHRUMQB-OAHLLOKOSA-N 312.413 3.058 10 10 DGCE CN(C)Cc1cc(CN[C@H]2CCc3cccc(O)c32)ccc1F 297734046 NQTJRXHMJOKAES-KRWDZBQOSA-N 314.404 3.370 10 10 DGCE CC[C@H](N[C@@H](C)c1cc2c(cc1O)CCCC2)[C@H](O)C(F)F 296425252 LPLQVVSZJSRZRM-FSBGKCOPSA-N 313.388 3.326 10 10 DGCE Cc1cc(CN2CCC[C@H]([C@H]3CCOC3)C2)ccc1N(C)C 815074237 MVFNTLLAMBDPJY-ROUUACIJSA-N 302.462 3.310 10 10 DGCE CN1CCCc2cc([C@H](O)Cc3scnc3Cl)ccc21 721992107 AHUSYKDIVCQGJN-CYBMUJFWSA-N 308.834 3.455 10 10 DGCE CN(C)c1ccc(CN[C@@H]2CCn3ccnc32)c(C(F)(F)F)c1 824527179 SLIGWWJIWHOULX-CQSZACIVSA-N 324.350 3.203 10 10 DGCE CS[C@H]1CC[C@H]1NCc1ccc(N2CCSCC2)cc1 822452051 VGRDGRAQWOCTCY-CVEARBPZSA-N 308.516 3.223 10 10 DGCE c1cnc(C2CC2)c(NCc2ccc(N3CCOCC3)cc2)c1 902287773 DCJNJFJMCMKQRL-UHFFFAOYSA-N 309.413 3.408 10 10 DGCE CN(C)c1ccc(/C=C/CNC[C@H]2COC3(CCCC3)O2)cc1 835042535 JBCNCRGRUXASHS-QWNKOJSDSA-N 316.445 3.041 10 10 DGCE Cc1cc(O)c(CNCc2nnc(C3CC3)s2)c(Cl)c1 840973813 VSXUCSGBQDMVHQ-UHFFFAOYSA-N 309.822 3.373 10 10 DGCE C[C@@H]1CC[C@]2(CCN(C(=O)NCCc3ccc(N)cc3)C2)C1 841959005 KECXVUGUOILCLR-KDOFPFPSSA-N 301.434 3.033 10 10 DGCE C[C@@H](O)[C@H](NCc1cccc(Cl)c1O)c1ccccc1F 846017760 PVDXCXIJOOMNQU-BMIGLBTASA-N 309.768 3.396 10 10 DGCE COc1cc(Br)cc([C@@H](C)NC2CCC2)c1O 848534390 PKRKGBBSGWVBTR-MRVPVSSYSA-N 300.196 3.366 10 10 DGCE C[C@H](N[C@@H](c1ccccc1F)[C@H](C)O)c1cc(F)ccc1O 846185114 ZTMNXRNBGYJHMJ-PSVSLLHZSA-N 307.340 3.443 10 10 DGCE Cc1sc(NCc2ccc(N3CCCC3)cc2)nc1C(=O)O 844207359 BGUJMZCLYICDGE-UHFFFAOYSA-N 317.414 3.362 10 10 DGCE CCc1cccc(CN2CC[C@H]3CC[C@@H](C2)N3C(C)C)c1O 848888031 KVXWYIFBMRQBDQ-MSOLQXFVSA-N 302.462 3.402 10 10 DGCE CCOc1ccc(CN[C@@H](C2CCOCC2)C2CC2)c(O)c1 846042691 NPKRUABXOSDDFC-GOSISDBHSA-N 305.418 3.086 10 10 DGCE C[C@@H](N[C@@H]1C(=O)N(C)Cc2ccccc21)c1ccc(N(C)C)cc1 857874306 OECSNBHJEDJCEJ-KUHUBIRLSA-N 323.440 3.117 10 10 DGCE COc1ccnc(CN[C@H](C)c2cc(F)cc(F)c2O)c1F 850536775 JVEXFALIWBJVEJ-MRVPVSSYSA-N 312.291 3.064 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3C[C@H]3C(C)(C)C)C2)cc1 869227677 BMDBQBHGZSYUTP-IAOVAPTHSA-N 316.445 3.072 10 10 DGCE COc1ccc(CNC(=O)c2oc(C(F)F)cc2C)c(O)c1 861490425 UIDGATPVHOFVQQ-UHFFFAOYSA-N 311.284 3.170 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@@H](C2CCC2)[C@@H]2CCOC2)c1 866512460 KWNRVTUPUFCJBF-WRSAYESZSA-N 305.418 3.257 10 10 DGCE NC(=O)c1cc(Cl)cc(Cl)c1OCc1ccc(N)cc1 953079363 ZVEWKQMMJHEWMS-UHFFFAOYSA-N 311.168 3.254 10 10 DGCE C[C@@H](NC(=O)c1c(F)ccc(O)c1O)c1ccc(F)cc1F 789944288 QACMRTFEPSARHU-SSDOTTSWSA-N 311.259 3.006 10 10 DGCE CC(C)(C(=O)N1Cc2cccc(O)c2C1)c1ccc(F)cc1F 881428506 GVAJBAKLBSPIAZ-UHFFFAOYSA-N 317.335 3.490 10 10 DGCE Oc1cc(Cl)ccc1CN1CCO[C@@H](C(F)(F)F)CC1 1474692663 ANAWLFUNTIXJJO-GFCCVEGCSA-N 309.715 3.199 10 10 DGCE Oc1cc(F)c(Cl)cc1CN1CC(CC2CCOCC2)C1 895615825 PHPSKRXCINVTMF-UHFFFAOYSA-N 313.800 3.433 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C[C@H]1C1CC1 797579201 ZAZLDNUHRWBYGH-DLBZAZTESA-N 301.434 3.083 10 10 DGCE Oc1c(F)cccc1CNCc1cnc(Br)s1 718212590 UNMHCSMKBUMVGP-UHFFFAOYSA-N 317.183 3.040 10 10 DGCE O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1CN1CCCC1 1081102067 GPSMNKBRZXKZBU-UKTHLTGXSA-N 322.430 3.080 10 10 DGCE CSCc1ccccc1NC(=O)Cc1ccc(O)c(O)c1 1153923553 ASMRGQSZHDXDBO-UHFFFAOYSA-N 303.383 3.142 10 10 DGCE COc1ccc(N(C)C[C@H]2COC3(CCCCC3)O2)cc1F 1167880547 CIAVXCYXYFPLOZ-AWEZNQCLSA-N 309.381 3.346 10 10 DGCE CC(C)[C@@H](CO)N(Cc1ccccc1)c1ccc(CN)cc1F 1915327135 ZSDXUMPBOYIJTR-LJQANCHMSA-N 316.420 3.308 10 10 DGCE Cc1cc(CN2CC[C@@H](C)[C@H](O)C2)ccc1N1CCCCC1 1616825182 XTHRXWPZDQKUFX-DNVCBOLYSA-N 302.462 3.188 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@]1(O)CCCC(C)(C)C1 1540518227 FTVNIAXFYBRBJT-LJQANCHMSA-N 318.461 3.042 10 10 DGCE Cc1ccc(O)c(CNc2ncnc3ccc([N+](=O)[O-])cc23)c1 1612628075 LWKNHVQGYZKBJG-UHFFFAOYSA-N 310.313 3.164 10 10 DGCE Cc1cccc([C@H](C)CNC(=O)c2c(F)ccc(O)c2O)c1 1558938992 DQEMECWUNVLTIH-LLVKDONJSA-N 303.333 3.079 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)c1ncc(Cl)cn1 1559060304 HREQIVZLTVXBJP-UHFFFAOYSA-N 302.809 3.367 10 10 DGCE O=C(NCc1cc(O)ccc1O)c1ccc(-c2ccccc2)[nH]1 1637126257 QEFHIKWGZIOMHY-UHFFFAOYSA-N 308.337 3.023 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1C[C@@H](C)C[C@H]1C 1636263935 VVNJWKJFQGEOSH-CWRNSKLLSA-N 317.477 3.432 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H](C[C@@H](N)c2ccccc2O)C1 1928472803 UQWBQHWLRUWRJQ-GXTWGEPZSA-N 306.406 3.039 10 10 DGCE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)CCN=[N+]=[N-] 1962286495 ARKYDMSQJHMFHC-OLZOCXBDSA-N 311.430 3.264 10 10 DGCE CCN(CC)c1ccc(/C=C2\N=C(c3cccnc3)OC2=O)cc1 205600229 DHTVUAVRDVJVCO-ATVHPVEESA-N 321.380 3.272 10 10 DGCE CC1=NN(Cc2cccc(F)c2)C(=O)/C1=C/c1ccccc1O 1865677435 IXBQYXDCKATGHM-MHWRWJLKSA-N 310.328 3.333 10 10 DGCE CC(C)(C)OC(=O)NC1CCC([C@@H](N)c2ccccc2O)CC1 1936972410 FOQMFXBQFUYGNL-SEEARECTSA-N 320.433 3.476 10 10 DGCE CN[C@H](c1ccccc1O)[C@@](C)(NC(=O)OC(C)(C)C)C1CC1 1936969417 CDVXDJCTQQVDLN-QAPCUYQASA-N 320.433 3.346 10 10 DGCE C[C@H]1CCN(CCCN=[N+]=[N-])C[C@H]1CNC(=O)OC(C)(C)C 1962306137 YFUVKIIMHJXQOJ-QWHCGFSZSA-N 311.430 3.170 10 10 DGCE c1ccc(COc2ccc(N3CCC[C@@H]4CNC[C@@H]43)cc2)cc1 1899865012 JCCLZMBFHWJDGW-XLIONFOSSA-N 308.425 3.454 10 10 DGCE C[C@H]1CC[C@](CO)(NCc2cc(Cl)cc(Cl)c2O)C1 1880896798 FOOLVYNAKWCESX-XPTSAGLGSA-N 304.217 3.340 10 10 DGCE [N-]=[N+]=N[C@@H](CO)c1ccc(Cl)c(I)c1 1951370196 XFKZGNLCQFYLNW-QMMMGPOBSA-N 323.521 3.288 10 10 DGCE CC(C)(C)OC(=O)N[C@@H](CCN=[N+]=[N-])Cc1ccc(O)c(O)c1 1951380377 WKPABUDCCCMVIX-NSHDSACASA-N 322.365 3.234 10 10 DGCE Oc1cccc2c1[C@H](N[C@H]1CCCC3(CC1)OCCO3)CC2 1967524757 QIAMRNKSZZYAKY-LSDHHAIUSA-N 303.402 3.045 10 10 DGCE CN(CCC(C)(F)F)c1ccc(CO)cc1Br 2004471901 WLLXEAULYOPZQP-UHFFFAOYSA-N 308.166 3.423 10 10 DGCE CC[C@H](COC)N(C)Cc1ccc(Br)cc1O 2001430892 XAGNVXOARRZVBI-GFCCVEGCSA-N 302.212 3.012 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN(Cc2cnsc2Br)C1 2006970245 UTTNALOXMFUMBR-QMMMGPOBSA-N 316.228 3.428 10 10 DGCE CN[C@H]1CCc2cc(N3CCN(Cc4ccccc4)CC3)ccc21 2012692599 PFVRZIJHLXTMKS-NRFANRHFSA-N 321.468 3.216 10 10 DGCE CN[C@H](C)c1ccc(N2CC(OCC(F)F)C2)cc1Cl 707666459 MYVVTHAYYSPMJP-SECBINFHSA-N 304.768 3.091 10 10 DGCE CC(C)c1cc(N)n(Cc2c(O)cccc2Br)n1 2070117646 HPWYHQUCPJXKHB-UHFFFAOYSA-N 310.195 3.105 10 10 DGCE COc1cccc(Cn2nc(C3CC3)c(C(F)F)c2N)c1O 2079690537 BKQAJEACSWEULO-UHFFFAOYSA-N 309.316 3.043 10 10 DGCE C[C@H](NCc1nc(Br)cs1)c1ccccc1O 1474670339 YBMSHCJIPUXHKM-QMMMGPOBSA-N 313.220 3.462 10 10 DGCE C[C@H]1CCOCC[C@@H]1NCc1cccc(Br)c1O 2046729799 GBUPJVLNSAZWFD-GWCFXTLKSA-N 314.223 3.059 10 10 DGCE [N-]=[N+]=NCC1(CNC(=O)c2snc(Cl)c2Cl)CC1 2054029858 KCOVZXVQTSAHGZ-UHFFFAOYSA-N 306.178 3.270 10 10 DGCE CNCc1ccc(N(C)C2CC(CF)C2)cc1Br 2054695425 CXVDCABRGRNJNZ-UHFFFAOYSA-N 315.230 3.353 10 10 DGCE C[C@H](O)c1ccc(N2C[C@@H](F)C[C@@H](F)C2)c(Br)c1 2062397290 SYBHGMCEHGPDDA-INTQDDNPSA-N 320.177 3.389 10 10 DGCE CSc1ncc(CNC[C@H]2CC[C@@](C)(CO)C2(C)C)s1 2284727790 NBTRCNLVUZHSGM-ABAIWWIYSA-N 314.520 3.389 10 10 DGCE CSc1ncc(CN=c2[nH]c3ccc(N)cc3s2)s1 2269282621 XMYZDDARUUIYEV-UHFFFAOYSA-N 308.457 3.091 10 10 DGCE CO[C@@H](C)c1cccc(NC(=O)C=Cc2ccc(O)c(O)c2)c1 2307986910 MQBAAZPIPBNNLK-LBPRGKRZSA-N 313.353 3.457 10 10 DGCE COc1ccc(C[C@@](C)(Sc2nccs2)C(=O)O)cc1 2353862288 FVHDRQYIPLDXIQ-CQSZACIVSA-N 309.412 3.330 10 10 DGCE Nc1cc(Cl)c(NC(=O)c2ccc(O)c(O)c2)c(Cl)c1 2353870298 XBVKGYWWLJGHHA-UHFFFAOYSA-N 313.140 3.239 10 10 DGCE CCOc1ccccc1NC(=O)[C@@H](C)Cc1ccc(O)c(O)c1 170011165 YXMGJSCOCBMPPL-LBPRGKRZSA-N 315.369 3.314 10 10 DGCE CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1ccccc1C(=O)O 100148580 ZRGRODYQPGDTGT-RVDMUPIBSA-N 321.336 3.103 10 10 DGCE CC[C@H](CSC)N[C@@H](C)c1ccc(N2CCOCC2)cc1 183525116 VULVQMMTYVCTLC-GOEBONIOSA-N 308.491 3.315 10 10 DGCE CC[C@H]1CN(c2ccc(CN)cc2Br)CCS1 157295477 HQOBDIQUOSEVGZ-NSHDSACASA-N 315.280 3.240 10 10 DGCE CN(C)c1ccc([C@H]2CCNCCN2C(=O)OC(C)(C)C)cc1 1952190504 XOIDTOAYRKSXQE-MRXNPFEDSA-N 319.449 3.024 10 10 DGCE Cc1cc(NS(=O)(=O)[C@@H]2CCCC[C@@H]2F)cc(C)c1O 2366472985 XKZMGUZOINQJFG-QWHCGFSZSA-N 301.383 3.031 10 10 DGCE COc1cc(Cl)c(N(C[C@H](C)O)C(C)(C)C)c(OC)c1 2368100695 JZUMPKSKNUZDGY-JTQLQIEISA-N 301.814 3.343 10 10 DGCE COc1ccc(N2CC(C)(C)NC[C@@H]2C)cc1Br 88330962 IWZTYPGNRRIRBN-JTQLQIEISA-N 313.239 3.034 10 10 DGCE NCc1ccc(N2C[C@H]3CCC[C@@H]3C2)c(F)c1Br 231840471 KTXWNPRZLJHPIH-GHMZBOCLSA-N 313.214 3.283 10 10 DGCE COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cc(C)ccc1O 246195844 LOQUJGJCUYAUNT-KBMXLJTQSA-N 303.402 3.007 10 10 DGCE O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCCOCC1 377110135 ZDHMVDHNNCECAA-VIFPVBQESA-N 318.200 3.132 10 10 DGCE CC(=O)C(=O)COC(=O)C1(c2cccc(Cl)c2)CCCCC1 808500134 FNWNCXJNKDLWFC-UHFFFAOYSA-N 322.788 3.243 10 10 DGCE C[C@H]1[C@@H](C)O[C@H](C)CN1Cc1ccc(Br)cc1O 825634625 PAXHMMUAVVHZFN-OUAUKWLOSA-N 314.223 3.152 10 10 DGCE CN(C)c1ccc(CN2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1F 824696988 WYIXCPIJYLYCLA-SUMDDJOVSA-N 320.452 3.407 10 10 DGCE O=C1NCC[C@@H]1CCOc1ccc(N2CCCCC2)c(Cl)c1 902446735 VPGHJFMNSZBBMW-CYBMUJFWSA-N 322.836 3.235 10 10 DGCE CC[C@H](NCc1nc(CN(C)C)cs1)c1ccccc1O 903222680 IGCBYQYXUGKPMF-AWEZNQCLSA-N 305.447 3.151 10 10 DGCE CC[C@@H](N[C@H](CC)c1ccc(Cl)c(Cl)c1O)C(=O)NC 834911182 HQLVOJYTMDXUFR-GHMZBOCLSA-N 319.232 3.264 10 10 DGCE OC[C@H]1CC[C@](F)(CNCc2c(O)cccc2Cl)CC1 2178637597 JOBKKWABPAWKAF-WGRBQBNCSA-N 301.789 3.026 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@H]1[C@H]2CCC[C@H]21 840360068 LJQAUUNSUXHGNV-NKGKWGDASA-N 315.461 3.090 10 10 DGCE CC1(N2CCC2)CCC(NCc2cc(F)cc(F)c2O)CC1 922847211 WVZVRZFFJJRMHR-UHFFFAOYSA-N 310.388 3.167 10 10 DGCE CC[C@@H]1CCC[C@H]1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855224313 FGXXPOGZQCDWGM-RVKKMQEKSA-N 316.445 3.216 10 10 DGCE CCOC(=O)[C@@H](CC1CC1)NCc1cc(Cl)cc(F)c1O 753568994 NOYGSJWFSCZPTN-CYBMUJFWSA-N 315.772 3.006 10 10 DGCE OC1CCN(c2ccc(CNC[C@@]34CCCC[C@@H]3C4)cc2)CC1 922428604 LCHTXFMJENLEBA-XLIONFOSSA-N 314.473 3.318 10 10 DGCE CO[C@H](CN(Cc1ccc(N(C)C)cc1)C(C)C)[C@H]1CCOC1 851732052 HZOMSLWGGLHQIQ-PKOBYXMFSA-N 320.477 3.015 10 10 DGCE CCOC1(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)CCC1 854949933 ZWCSZGMCPSXOCM-HNNXBMFYSA-N 318.461 3.067 10 10 DGCE Cn1cc(C[C@@H]2CCC[C@@H]2N[C@@H]2CCc3cccc(O)c32)cn1 850541293 UVXFYSGSGHELJR-YESZJQIVSA-N 311.429 3.114 10 10 DGCE COc1cccc(CCNC(=O)N[C@@H](C)c2ccccc2O)c1 868055723 DLQHKZFGKVZOKC-ZDUSSCGKSA-N 314.385 3.004 10 10 DGCE COC(=O)c1ccc(O)c([C@H](C)N[C@@H](C(C)C)C(F)(F)F)c1 786972598 DYYCYCPOUUJKSE-ZANVPECISA-N 319.323 3.416 10 10 DGCE COc1ccc([C@@H](C)NCCN(C)Cc2ccccc2)c(O)c1 395738170 UHAWDDSFLCJATQ-OAHLLOKOSA-N 314.429 3.183 10 10 DGCE COc1ccc(CNC2(C)CN(C(=O)OC(C)(C)C)C2)cc1C 398068875 DAAWYKPPWGHPBA-UHFFFAOYSA-N 320.433 3.103 10 10 DGCE CC(C)c1nnc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)s1 799630975 GEQMTCRXEYVEOV-LLVKDONJSA-N 318.446 3.219 10 10 DGCE c1cc(N2CCCC2)ccc1CN[C@@H]1CCC[C@@H]2OCC[C@H]21 1200972192 WKPNPGMTHUORIB-OTWHNJEPSA-N 300.446 3.334 10 10 DGCE CC[C@H](C)[C@@H](OC)C(=O)NCc1c(O)ccc2ccccc12 1179033581 YWDIZSDARCZRCZ-YVEFUNNKSA-N 301.386 3.223 10 10 DGCE C1=C[C@H](CCCNCc2ccc(N3CCOCC3)cc2)CC1 1179501842 FVHSCJCSLBDVJX-KRWDZBQOSA-N 300.446 3.359 10 10 DGCE COc1ccc(Br)nc1N(C)Cc1ccc(N)cc1 2119592034 APDDYSTZNSFNCF-UHFFFAOYSA-N 322.206 3.071 10 10 DGCE [N-]=[N+]=N[C@H]1CCN(C(=O)c2ccc(F)c(Br)c2)C1 1912153250 FPOKTYIKDCADLU-QMMMGPOBSA-N 313.130 3.113 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)[C@H]1Cc2ccccc2O1 1456309469 IUBFEQOFBDDVJS-LJQANCHMSA-N 319.360 3.165 10 10 DGCE CC(C)=CCCn1c(C)nnc1N(C)Cc1ccccc1O 1706205747 WMNWNWJVGAJNAS-UHFFFAOYSA-N 300.406 3.285 10 10 DGCE O=C(c1cc(-c2ccccc2)no1)N1Cc2cccc(O)c2C1 1632704131 WTXKEOLLGPWJGW-UHFFFAOYSA-N 306.321 3.203 10 10 DGCE Cc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CCC3)c(O)c1O 1633236450 HUMPVTXMGLXFOT-GFCCVEGCSA-N 311.381 3.386 10 10 DGCE CCCN1CCC[C@@H](C(=O)N(CCC)Cc2ccccc2O)C1 1631159031 HBFPOKSYFKIUQN-QGZVFWFLSA-N 318.461 3.253 10 10 DGCE CCN(C)c1ccc(CN(C2CC2)C2(C(=O)OC)CCC2)cc1 1659116354 FWXKIARKXMXQNO-UHFFFAOYSA-N 316.445 3.203 10 10 DGCE C[C@@H](CC(=O)NCc1c(O)cccc1O)c1ccc(F)cc1 1597568241 CNVNSHVOLUTUEP-NSHDSACASA-N 303.333 3.047 10 10 DGCE CC(C)Cc1ccc(CC(=O)NCc2c(O)cccc2O)cc1 1597568545 GLNKJIBTUXLGHR-UHFFFAOYSA-N 313.397 3.155 10 10 DGCE Oc1ccc(F)cc1CN[C@@H]1CC[C@@H]1OCc1ccccc1 1934899956 DGXRESPDJGHQTP-AEFFLSMTSA-N 301.361 3.369 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H]2CN(CCCN=[N+]=[N-])CC[C@@H]21 1962301128 UHUMEJSRTXKOGZ-STQMWFEESA-N 309.414 3.018 10 10 DGCE C[C@H](NCc1cc(Br)ccc1O)[C@H]1CCSC1 1942252754 BCORUQYWIBDHOU-UWVGGRQHSA-N 316.264 3.386 10 10 DGCE CN(Cc1cccc(O)c1)c1ccc(CO)c(Br)c1 1877546986 XIJVRWLZMDFYIM-UHFFFAOYSA-N 322.202 3.283 10 10 DGCE CC[C@H](NC(=O)OC(C)(C)C)[C@](C)(N)c1ccc(N(C)C)cc1 1977946386 VMWHJALXHNLNOG-MAUKXSAKSA-N 321.465 3.230 10 10 DGCE C[C@@H](CN(C(=O)OC(C)(C)C)C1CC1)[C@@H](N)c1ccccc1O 1987611760 CUWVMDZTNKBPES-BLLLJJGKSA-N 320.433 3.428 10 10 DGCE CN(C)c1ccc([C@H](O)c2nscc2Br)cc1 1999505214 NDINODZFCIGRMN-LBPRGKRZSA-N 313.220 3.053 10 10 DGCE CCSC1CN(c2ccc(CNCCOC)cc2Cl)C1 2153906856 MAMAKROGKCMGLB-UHFFFAOYSA-N 314.882 3.018 10 10 DGCE C[C@H](CN(C)Cc1ccc(Br)cc1O)C(F)F 2012200977 MTAIDTPNBGXCRT-MRVPVSSYSA-N 308.166 3.488 10 10 DGCE C[C@H]1CN(c2ccc3c(c2)CC[C@H]3O)CCN1Cc1ccccc1 2012704787 GMQYLQYTRRVHAA-HRAATJIYSA-N 322.452 3.377 10 10 DGCE N[C@@H](c1ccccc1O)c1ccc(F)c(F)c1Br 2029557671 FHGZBBPPLUJCMB-ZDUSSCGKSA-N 314.129 3.481 10 10 DGCE CNCc1ccc(N2CCC(C)(F)CC2)cc1Br 2034885181 DGRCVWUXFYYOFM-UHFFFAOYSA-N 315.230 3.497 10 10 DGCE C[C@@H](c1cc(Cl)ccc1O)N1CCN(CCCF)CC1 402852833 OMASOGYHXCQIGW-LBPRGKRZSA-N 300.805 3.084 10 10 DGCE Oc1ccc(-n2ncc(Br)c2CC2CCC2)cc1O 2069849789 VVIZMCJFUIBKOQ-UHFFFAOYSA-N 323.190 3.389 10 10 DGCE Cc1ccc([C@H](C)n2nc(C3CCC3)cc2C(=O)O)c(O)c1 2069856573 RRONZKMBSHAODK-NSHDSACASA-N 300.358 3.472 10 10 DGCE CCN[C@@H](C)c1cc(F)c(N2CC(CSC)C2)c(F)c1 2194698133 UPUAGVPBAJMUAI-JTQLQIEISA-N 300.418 3.435 10 10 DGCE CN(C)c1ccc([C@@H](NN)c2ccccc2Br)cc1 2106850147 FISCROPAZNAWQP-OAHLLOKOSA-N 320.234 3.068 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN(Cc2nscc2Br)C1 2214607984 RXNZIVXRIUDYKS-MRVPVSSYSA-N 316.228 3.428 10 10 DGCE C[C@H](O)c1ccc(N2CC(OC(F)(F)CF)C2)c(Cl)c1 2237642575 XFJXANKJDQOSPK-QMMMGPOBSA-N 309.715 3.161 10 10 DGCE CCC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccccc2)SC1=S 2294874475 GDAXGXHCMXFGGY-NSHDSACASA-N 321.423 3.141 10 10 DGCE COc1ccc(C=C2SC(N3CCC[C@H](C)C3)=NC2=O)cc1 2296680788 ZLKGXALCMPDTPD-LBPRGKRZSA-N 316.426 3.397 10 10 DGCE COC(=O)Cc1nc2c(C)cccn2c1N=Nc1cccc(O)c1 2318379842 AWPOVKRNXGYCIY-UHFFFAOYSA-N 324.340 3.479 10 10 DGCE Cc1ccc(CNC[C@@H]2CCSC2)c(O)c1Br 2307478624 ZLROGQRGUBIVNU-JTQLQIEISA-N 316.264 3.306 10 10 DGCE Cc1ccc(CN[C@H](C)CCCCO)c(O)c1Br 2327801881 VTNHPLJTFMSPBX-LLVKDONJSA-N 316.239 3.104 10 10 DGCE Cc1ccc(CN2CCC3(CCC3)C2=O)c(O)c1Br 2352664530 WCRZFLOQKFGLAG-UHFFFAOYSA-N 324.218 3.366 10 10 DGCE Cc1ccc(CNc2cnnn2C2CC2)c(O)c1Br 2352933124 WHMAJGYHKCAVNH-UHFFFAOYSA-N 323.194 3.002 10 10 DGCE C[C@@H](NC1CCN(c2ccccn2)CC1)c1ccc(F)cc1O 170789083 UJRBWRZPZQTBHG-CYBMUJFWSA-N 315.392 3.246 10 10 DGCE O=Cc1ccc2c(O)c(I)sc2c1 307011796 LIKISMSWBGAUHI-UHFFFAOYSA-N 304.108 3.024 10 10 DGCE Cc1nc(CN(C)c2ccc3c(c2)OCO3)nc2ccccc12 121370036 GMUGSFAWXVLQQJ-UHFFFAOYSA-N 307.353 3.303 10 10 DGCE O=S(=O)(Nc1nc(-c2ccncc2)cs1)c1cccs1 41529441 FQVCLUVQQACMBY-UHFFFAOYSA-N 323.424 3.067 10 10 DGCE C[C@H](C(=O)Nc1ccc(N)cc1)[S@](=O)c1ccccc1Cl 40961754 YODIXBIBVYHIGU-LADRHHBVSA-N 322.817 3.057 10 10 DGCE CN[C@@H](C)c1ccc(N2CC[C@H](N3CCCC3)C2)cc1Cl 78928000 WWNZRHMRHALRID-ZFWWWQNUSA-N 307.869 3.295 10 10 DGCE CC(C)(C)C[C@@H](N)c1ccc(I)cc1O 238071939 DAGDUMFGTXKHSC-SNVBAGLBSA-N 319.186 3.433 10 10 DGCE C[C@@H](CS(=O)(=O)Nc1ccc(O)c(F)c1)c1ccccc1 149449897 YFFFVZJTLRFWPC-NSHDSACASA-N 309.362 3.077 10 10 DGCE CC(=O)N(C(=S)N[C@@H](C)c1ccccc1)c1ccc(N)cc1 243684692 PIUFQEXAKTZDQE-LBPRGKRZSA-N 313.426 3.257 10 10 DGCE CC(=O)N(C(=O)N1c2ccccc2C[C@@H]1C)c1ccc(N)cc1 243300441 LHCIJQMFFAKOHF-LBPRGKRZSA-N 309.369 3.193 10 10 DGCE CCN[C@@H](C)c1ccc(N(C)C[C@H]2CCN(C)C2)cc1Cl 250277763 JGBKYGGTCBMFKW-KBPBESRZSA-N 309.885 3.398 10 10 DGCE CCN1CCc2cc([C@@H](N)c3ncc(SC)s3)ccc21 2163130428 HMERKXUYHVEDDA-CQSZACIVSA-N 305.472 3.296 10 10 DGCE CC(C)Oc1ccc(NCc2ccc(N(C)C)c(F)c2)nn1 811839801 QUZKMPIDKZRCAZ-UHFFFAOYSA-N 304.369 3.081 10 10 DGCE O=[N+]([O-])c1cc(CNC2C[C@@H]3C[C@H]3C2)ccc1N1CCCCC1 818237519 MLASLHKKXLZNIY-GJZGRUSLSA-N 315.417 3.473 10 10 DGCE Cc1cccc(CN2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c1O 824636838 UHQMZMYDOUEEAK-MJGOQNOKSA-N 315.388 3.001 10 10 DGCE O=C(COC(=O)[C@H]1CCCC[C@H]1C1CC1)c1ccc(O)c(O)c1 829746226 PLCOODYOLKPGMQ-KBPBESRZSA-N 318.369 3.040 10 10 DGCE C[C@H](CC(=O)NCc1c(O)ccc2c1CCCC2)[C@@H]1CCCO1 830559323 MWMIVCLLSDTZGC-ACJLOTCBSA-N 317.429 3.092 10 10 DGCE CCC[C@H](C)[C@H](CO)NC1CCN(c2ccc(OC)cc2)CC1 846018693 VZYZGCMBQZFBGA-KXBFYZLASA-N 320.477 3.051 10 10 DGCE Cc1cc(O)c(CN2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)cc1C 840997407 DKTZJOSPWQZKSA-KBMXLJTQSA-N 303.402 3.227 10 10 DGCE CCc1cccc(CN[C@H]2CCN(C)[C@H]2c2ccccc2)c1O 848898980 BMEOGAMQCPHCFG-OALUTQOASA-N 310.441 3.490 10 10 DGCE C/C(=C/c1ccncc1)C(=O)N(C)Cc1ccc(N(C)C)cc1 847304606 WUPVGYRHGVSVKD-SQFISAMPSA-N 309.413 3.210 10 10 DGCE Cc1ccc(O)c(CNC(=O)NC2CCC(C(F)F)CC2)c1 858534996 MDAOCRPAHLOMDD-UHFFFAOYSA-N 312.360 3.324 10 10 DGCE COc1cccc(O)c1CNCc1cccc(OC2CC2)c1F 850365240 KZXUVASGPBWYFC-UHFFFAOYSA-N 317.360 3.371 10 10 DGCE C[C@H](NCCc1cn(C)c2ncccc12)c1cc(F)ccc1O 866574707 ZNTRGWIKPVFZMY-LBPRGKRZSA-N 313.376 3.311 10 10 DGCE CCC1(NC2CCN(c3ccc(OC)cc3)CC2)CCOCC1 777706532 BRKBANKGZOLLBK-UHFFFAOYSA-N 318.461 3.213 10 10 DGCE C[C@H]1CCSCCN1C(=O)c1cc2cc(O)c(O)cc2s1 897554288 BXPFBTKFQRLMPZ-VIFPVBQESA-N 323.439 3.280 10 10 DGCE Cc1cc(Br)c(O)c(CNC[C@H]2CCSC2)c1 790486275 UXEKCZRKJZEYPB-SNVBAGLBSA-N 316.264 3.306 10 10 DGCE C[C@H](NC[C@H]1CCN1Cc1ccccc1)c1ccc(O)cc1O 716300526 VYTMIOOFUHUCSI-GOEBONIOSA-N 312.413 3.023 10 10 DGCE CC(C)N(Cc1ccccc1F)C(=O)c1cccc(O)c1O 1142574979 XLZFSSWZUWGTCD-UHFFFAOYSA-N 303.333 3.288 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)c2cc(F)c(Cl)cc2F)C1 1912190955 LMQWCZXRHMIKHR-ZETCQYMHSA-N 300.696 3.391 10 10 DGCE CCC[C@@H](O)CNC(=O)c1cc(C)ccc1-n1c(C)ccc1C 1294691853 JDEAJHRSSGASHE-MRXNPFEDSA-N 314.429 3.293 10 10 DGCE CCC1=NN(CC)C(=O)/C1=C/c1cc(Cl)c(O)c(OC)c1 1865675098 ORILTPCETBEUTA-UXBLZVDNSA-N 308.765 3.066 10 10 DGCE CC/C=C(/C)C(=O)NC[C@@H](CC)NCc1ccc(OC)c(C)c1 1481794195 NDOZZVUCCBXLDL-XMCSSRMMSA-N 318.461 3.344 10 10 DGCE CC(C)n1c(NC(=O)c2cccc(O)c2O)nc2ccccc21 1629548259 KKDHMFZCIOBMRW-UHFFFAOYSA-N 311.341 3.281 10 10 DGCE Oc1cccc(O)c1CNc1nc(Cl)nc2ccccc12 1559287837 GAUZHHBGBWMJTB-UHFFFAOYSA-N 301.733 3.307 10 10 DGCE CC(=O)c1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1C 1638487346 KBVJOXLWXUHKDY-UHFFFAOYSA-N 303.289 3.000 10 10 DGCE CCC/C=C/[C@H](O)C(=O)NCc1ccc(N2CCCCC2)cc1 1630698223 OUWQAFFDEDORRW-MOTZXUDYSA-N 316.445 3.010 10 10 DGCE O=C(CCc1ccc(C(F)F)cc1)NCc1ccc(O)cc1O 1570463461 QIPCCGVZTNRIIJ-UHFFFAOYSA-N 321.323 3.284 10 10 DGCE CCCN1C(=O)/C(=C\c2ccc(OC)cc2OC)SC1=S 5869930 IBHFPZLMCJWCFU-MDWZMJQESA-N 323.439 3.315 10 10 DGCE CCN(Cc1ccc(Br)cn1)c1ccc(N)cc1 167092090 WADBKFWPFTZFMW-UHFFFAOYSA-N 306.207 3.453 10 10 DGCE CCC1=NN(c2ccccn2)C(=O)/C1=C/c1cccc(OC)c1 1865678429 LSQCRHHKLNEXHQ-NTCAYCPXSA-N 307.353 3.286 10 10 DGCE C[C@H](N)c1ccc(N2C[C@@H](F)[C@H](C)C2)c(Br)c1 1947332424 HZTNPZXGUGCKPY-VDDIYKPWSA-N 301.203 3.263 10 10 DGCE CNCc1ccc(N(C)CC(F)(F)F)cc1C(F)(F)F 167361254 HYQMGEBRMHOANH-UHFFFAOYSA-N 300.246 3.423 10 10 DGCE C[C@H](CCNC(=O)OC(C)(C)C)[C@@H](O)c1ccc(N(C)C)cc1 1977957527 GHQUUAJYMJBYKW-CZUORRHYSA-N 322.449 3.337 10 10 DGCE Cc1cccc(C)c1S(=O)(=O)Nc1ccc(O)cc1Cl 2152411605 LAPPDASCLYGOBB-UHFFFAOYSA-N 311.790 3.463 10 10 DGCE C[C@@H](CN(C)c1ccc(CO)cc1Br)C(F)F 2012201043 MZXXEDDYAWLQJX-QMMMGPOBSA-N 308.166 3.279 10 10 DGCE COc1ccc(O)c([C@H](C)n2nc(C3CCCC3)cc2CO)c1 2070177995 IPFSKWQYNGCEID-LBPRGKRZSA-N 316.401 3.357 10 10 DGCE CC(C)Cc1cnn([C@H](C)c2cc([N+](=O)[O-])ccc2O)c1O 2070308703 AUJLKOSBNJCCNC-SNVBAGLBSA-N 305.334 3.010 10 10 DGCE CCOC(=O)c1c(C)nn(Cc2c(C)cccc2O)c1C(F)F 2079155809 HYUVPQCZOVTLJK-UHFFFAOYSA-N 324.327 3.368 10 10 DGCE CNCc1ccc(N(C)[C@@H]2CC[C@H]3C[C@H]32)c(Br)c1 2046852465 CLZCOPPKXUUZCM-OUCADQQQSA-N 309.251 3.403 10 10 DGCE CNCc1ccc(N2CC(C3CCC3)C2)cc1Br 2051999995 CVOTZEPOIQGWFB-UHFFFAOYSA-N 309.251 3.405 10 10 DGCE C[C@H](O)c1ccc(N(C)Cc2ccno2)c(Br)c1 2082488849 IDTVLVKYZXCAJG-VIFPVBQESA-N 311.179 3.127 10 10 DGCE COc1ccc(Br)c(CN[C@H]2C[C@@H]2C2CC2)c1O 2220461710 AAROEAKUYKQACB-SKDRFNHKSA-N 312.207 3.051 10 10 DGCE CCCCN1C(=O)C(=Cc2ccc(O)c(OC)c2)SC1=S 2294737429 XDKURLITBMUJBQ-UHFFFAOYSA-N 323.439 3.402 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)N[C@@H]1CCCc2sccc21 2309366019 FBWGPLJCDLOJPO-CYBMUJFWSA-N 315.394 3.366 10 10 DGCE CC1=NN(Cc2ccccc2F)C(=O)C1=Cc1ccc(O)cc1 2332099702 VRIUDWWRVKUKRW-UHFFFAOYSA-N 310.328 3.333 10 10 DGCE Cc1ccc(CN2C[C@H]3C[C@H]2[C@H]2C[C@H]32)c(O)c1Br 2327598851 HLUFZBKKAKRVSK-NDBYEHHHSA-N 308.219 3.303 10 10 DGCE CCc1ccccc1N1C(=O)CN(Cc2ccccc2)C1=S 216392 LEEOISITNQPXHD-UHFFFAOYSA-N 310.422 3.383 10 10 DGCE CC(C)N(CC(F)(F)F)c1cc2c(cc1Cl)[C@H](N)C(=O)N2 118706059 RPCMBKNOBHYTBX-NSHDSACASA-N 321.730 3.069 10 10 DGCE COC(=O)/C=C/c1ccc(N2C[C@H](C)CC[C@H]2C)c([N+](=O)[O-])c1 301465730 XFFIAMGFYYJTHT-SKFMMRCFSA-N 318.373 3.406 10 10 DGCE CC[C@@H](N[C@H](C)Cc1c(C)nn(C)c1C)c1ccccc1O 185213122 NHFCRJVPEQFCPN-SJKOYZFVSA-N 301.434 3.414 10 10 DGCE COCCC1(CNCc2ccc(OC)cc2O)CCCCC1 185226029 JCVXYEWJDSNUAY-UHFFFAOYSA-N 307.434 3.477 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)c1cccs1 183479034 AXMFOKZFAITXQG-NSHDSACASA-N 319.426 3.184 10 10 DGCE Oc1cccc(CNCc2cccc(Br)c2)c1O 42418881 OMZKAVFIJDLODO-UHFFFAOYSA-N 308.175 3.150 10 10 DGCE CN(C(=O)COCc1ccc(Cl)cc1)c1ccc(N)cc1 87092305 DZDRLWGHMRSNCB-UHFFFAOYSA-N 304.777 3.102 10 10 DGCE CCN(CCN[C@H](C)c1cc(O)ccc1O)C(=O)OC(C)(C)C 227652210 YEEQKJQRLDXYRS-GFCCVEGCSA-N 324.421 3.005 10 10 DGCE CSc1ncc(CN[C@]2(C(=O)O)CC[C@H](C)[C@@H](C)C2)s1 2371773117 JRWZOGFLMVCCRL-PKFCDNJMSA-N 314.476 3.234 10 10 DGCE C[C@H](N)c1ccc(N(C)C2CCOCC2)cc1Br 235496783 QPOLTQLCIUHTTB-JTQLQIEISA-N 313.239 3.084 10 10 DGCE C[C@@H]1CN(c2ccc(CNC(C)(C)C)cc2Cl)CC[C@H]1O 253191653 MYIKJJBGKDRSFD-MLGOLLRUSA-N 310.869 3.435 10 10 DGCE O=C(CC/C=C\c1ccccc1)NCCc1ccc(O)c(O)c1 255237764 ILZXNEFRRWVDRG-YWEYNIOJSA-N 311.381 3.250 10 10 DGCE CNC(=O)CC[C@H]1CCCCN1Cc1cc(Cl)cc(C)c1O 289953850 YTNYJBGLABWOSB-OAHLLOKOSA-N 324.852 3.235 10 10 DGCE Cc1ccc(O)c([C@H](C)NC/C=C\CNC(=O)OC(C)(C)C)c1 381771182 AFFOUGXPKQLYEB-AFNCTOJWSA-N 320.433 3.432 10 10 DGCE C[C@@H](COCc1ccccc1)COC(=O)Cc1ccc(N)cc1 719445988 RFQZOOBAAKICGJ-HNNXBMFYSA-N 313.397 3.207 10 10 DGCE Cc1ncccc1/C=C\C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 829818665 ZLZMEHODBFCQHS-LMRWQKIVSA-N 309.413 3.347 10 10 DGCE C[C@@H]1Oc2ccc(Cl)cc2N(OCc2ccc(N)cc2)C1=O 821298212 WEAHQJFXSYJMHH-JTQLQIEISA-N 318.760 3.168 10 10 DGCE COc1ccc(O)c([C@@H](C)NCc2c(C)cc(CO)cc2C)c1 903308501 QLZFRRXYNRDIKI-CQSZACIVSA-N 315.413 3.361 10 10 DGCE Cc1cnn(CCN2CCCc3cc(OC(F)F)ccc32)c1 730086620 SIRLFUOHEIENEM-UHFFFAOYSA-N 307.344 3.246 10 10 DGCE CCCOC(=O)c1cccc(NC(=O)Cc2ccc(N)cc2)c1 586737398 ALYCGCFWNGJKCR-UHFFFAOYSA-N 312.369 3.017 10 10 DGCE CC(C)n1cnnc1CN(C)C/C=C\c1ccc(N(C)C)cc1 835052629 IAPMJYXYKANMGT-SREVYHEPSA-N 313.449 3.070 10 10 DGCE CCN(CC)c1ccc(CN2CC[C@H](C)[C@@H](C(=O)O)C2)cc1F 843039099 ATXYSPZSEVJODN-ZFWWWQNUSA-N 322.424 3.215 10 10 DGCE CC(C)(C)OC(=O)Nc1cccc(O)c1[C@@H](N)C(F)(F)F 1952924739 HYLXDHQYVPXDEB-SNVBAGLBSA-N 306.284 3.301 10 10 DGCE Cc1cc(Cl)cc(CNCc2nnc(C3CC3)s2)c1O 840973528 OIQUUVPBFPWPCN-UHFFFAOYSA-N 309.822 3.373 10 10 DGCE c1csc(SCCCN[C@@H](C2CCC2)[C@@H]2CCOC2)n1 925104390 YLNDYRIKHCBPMX-KGLIPLIRSA-N 312.504 3.420 10 10 DGCE C[C@@H](NCc1cc(CO)ccc1F)c1ccc(N(C)C)cc1 859258811 UFBQTMKVMZMGED-CYBMUJFWSA-N 302.393 3.235 10 10 DGCE C[C@@H]1C[C@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)CCS1 927260810 NPEMXRJFBLLABR-UKRRQHHQSA-N 321.490 3.178 10 10 DGCE CN(C)c1ccc(CNC(=O)C[C@H]2CCCC2(F)F)cc1F 931147401 SSWDSYZIEILXFC-GFCCVEGCSA-N 314.351 3.333 10 10 DGCE C[C@H](NC(=O)N[C@H](C1CC1)[C@H]1CCCCO1)c1ccccc1O 868750272 ITHYMCUNPZZAPO-JCURWCKSSA-N 318.417 3.100 10 10 DGCE CCOCCCCCC(=O)N[C@@H](C)c1cc(OC)ccc1O 866763858 INCCJVFXJAMJOR-ZDUSSCGKSA-N 309.406 3.175 10 10 DGCE C[C@@H](NCCC[C@H]1CCOC1=O)c1cc2c(cc1O)CCCC2 872111643 FLPQNRVPWWAUIA-KGLIPLIRSA-N 317.429 3.265 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)CCNC(C)(C)C 1124550445 DICYJPJXBCKEQB-UHFFFAOYSA-N 317.477 3.023 10 10 DGCE O=C(Nc1ccc(OC(F)(F)F)cc1O)c1cc(O)cs1 785422498 TZXJMGPUNDEPQI-UHFFFAOYSA-N 319.260 3.310 10 10 DGCE CC(C)N(C[C@@H](C)O)c1ccc([C@H](C)N)cc1Br 691375360 OORNURSIWWIURR-MNOVXSKESA-N 315.255 3.064 10 10 DGCE Cc1ncc(/C=C\C(=O)N2CCOc3c(F)cc(F)cc32)s1 1130638254 HVJYXKMUGHTXQO-IHWYPQMZSA-N 322.336 3.169 10 10 DGCE C[C@@]1(C(F)(F)F)CN(Cc2cc(Cl)ccc2O)CCO1 712804803 ZCZVRZQGEOGQKP-LBPRGKRZSA-N 309.715 3.199 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1nc(CC)oc1C 797195258 WTWPIKMPQVMCRN-UHFFFAOYSA-N 302.374 3.303 10 10 DGCE Cc1ccncc1N1CCN(Cc2c(O)cccc2Cl)CC1 798962772 YZRPQXMDPCSXEX-UHFFFAOYSA-N 317.820 3.071 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](CCNc2ccc(N)cc2)C1 1959376997 HUNIPKCUGWRKLD-ZDUSSCGKSA-N 305.422 3.328 10 10 DGCE C[C@H](Nc1c(N)cccc1F)C1CN(C(=O)OC(C)(C)C)C1 1959368724 WJOQPCGKZDPVID-JTQLQIEISA-N 309.385 3.075 10 10 DGCE O=C(Cc1c[nH]c2ccccc12)NCc1cc(Cl)ccc1O 1300401965 VLKNJKBQFSVAQF-UHFFFAOYSA-N 314.772 3.386 10 10 DGCE Cc1cnc(N(C)Cc2ccc(N)cc2)c(Br)c1 97845704 KYMIONKOMFXKBO-UHFFFAOYSA-N 306.207 3.371 10 10 DGCE Cc1cnc(CNC(=O)c2sccc2-n2c(C)ccc2C)[nH]1 1168833062 IDQHPNBVQQNZOB-UHFFFAOYSA-N 314.414 3.117 10 10 DGCE Cc1cc(CNCCc2cc(C)n(-c3ccccc3)c2C)n[nH]1 1329158212 SVDCSJXFESMRCM-UHFFFAOYSA-N 308.429 3.458 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN1Cc1nc(Br)cs1 1902657155 SQGLDWVYTUBWCG-ZETCQYMHSA-N 302.201 3.180 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@]12CCCC[C@@H]1C2 1255449662 ULETZTMUQGAQRU-APWZRJJASA-N 315.461 3.474 10 10 DGCE Cc1cccnc1[C@H](C)NCc1ccc(N2CCOCC2)cc1 1198641320 OYBMBYOBVFXRGY-INIZCTEOSA-N 311.429 3.077 10 10 DGCE Cn1c(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)cc(Cl)c1Cl 1912206668 UHYOTHGSVXAJJY-ZETCQYMHSA-N 302.165 3.104 10 10 DGCE O=C(Nc1ccc(O)cc1F)c1cc2cc(O)c(O)cc2s1 1466333247 BCEYGSJOHBNDBD-UHFFFAOYSA-N 319.313 3.410 10 10 DGCE CC(=O)NCCN=NNc1ccc(C(F)(F)F)cc1Cl 1860491032 IFSMDURABGHPJF-UHFFFAOYSA-N 308.691 3.274 10 10 DGCE CC[C@@H]1CCCC[C@H]1CNC(=O)NCc1ccc(OC)cc1O 1564846714 BHHXFNTXHQRCNL-KGLIPLIRSA-N 320.433 3.416 10 10 DGCE COc1ccc(CNC(=O)c2ccccc2C(F)F)c(O)c1 1639458653 BFOAVJRJKBGNQW-UHFFFAOYSA-N 307.296 3.268 10 10 DGCE Cc1ccc(C(=O)N[C@@H](C(F)F)C2CCCCC2)c(O)c1O 1633316104 HTIYOHVSEPJPNZ-GFCCVEGCSA-N 313.344 3.350 10 10 DGCE Cc1cc(Br)oc1C(=O)N1Cc2cccc(O)c2C1 1644088222 KNOKAYLXOYALOE-UHFFFAOYSA-N 322.158 3.212 10 10 DGCE O=C(NCc1cc(O)ccc1O)c1cc(Cl)cc(Cl)c1 1651222565 JUKOQEIEMLKEIM-UHFFFAOYSA-N 312.152 3.335 10 10 DGCE COC(=O)/C=C/c1ccc(N2CC[C@@H]2C(C)(C)C)c([N+](=O)[O-])c1 1652330369 RRLPRQODIZGZKL-PMGBHYCQSA-N 318.373 3.406 10 10 DGCE Cc1ccc(C[C@@H](C)NC(=O)Cc2ccc(O)c(O)c2)c(C)c1 1585960976 IJJKRTZNTPRATG-CQSZACIVSA-N 313.397 3.005 10 10 DGCE CC(C)CSCCNC(=O)NCc1cccc(Cl)c1O 1679808106 FZQMGEFYWOYUII-UHFFFAOYSA-N 316.854 3.234 10 10 DGCE COc1ccc(CN[C@H](C)CNC(=O)C[C@@H](C)C2CC2)cc1C 1774049058 BIAWCNVFHDWCIO-UKRRQHHQSA-N 318.461 3.034 10 10 DGCE C[C@H]1C[C@@H](C)CN(c2cc3c(cc2Cl)[C@H](N)C(=O)N3)[C@H]1C 166904804 HBRAXFAUSLJBCE-HTQGBYLWSA-N 307.825 3.163 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1[C@@H](N)c1ccccc1O 1939905162 DKCDSSQKOBAIDY-GVAFMPQTSA-N 318.417 3.038 10 10 DGCE Cc1ncccc1C(=O)NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1 1889893005 HFPCAWXTWJBKPD-WMZOPIPTSA-N 321.424 3.309 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@@H]1C[C@@H](O)C12CCC2 1875446457 VLWKAKRXYZWAKX-GXFFZTMASA-N 316.228 3.340 10 10 DGCE COc1cc(Cl)cc(CNC[C@H]2C[C@]23CC3(F)F)c1O 1876078718 QGBNDFIIBNSBNO-RNCFNFMXSA-N 303.736 3.189 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN=[N+]=[N-] 1962302255 YRMMCPHQOMRXGJ-CLLJXQQHSA-N 309.414 3.064 10 10 DGCE COc1ccc(Br)c(CNCC2(F)CCC2)c1O 1964063168 ODTRURUWNRETPO-UHFFFAOYSA-N 318.186 3.145 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1C[C@H]2Oc1ccc(N)cc1 1992464966 HYFCVPQQTSSQQF-SHUKQUCYSA-N 318.417 3.339 10 10 DGCE Oc1ccc(Br)cc1CNC[C@@H]1C[C@H]1C(F)F 1997383467 NZEFBWLLLZNQHS-OIBJUYFYSA-N 306.150 3.146 10 10 DGCE C[C@@H]1CN(Cc2cc(Br)ccc2O)[C@H](C)CCO1 2031607120 LQDHZGLTPXPVIC-GHMZBOCLSA-N 314.223 3.154 10 10 DGCE CCO[C@@H]1CCN(c2ccc([C@H](C)O)c(Br)c2)C1 701706732 KBARNRXPCFNRRL-CMPLNLGQSA-N 314.223 3.118 10 10 DGCE C[C@H]1CN(Cc2cccc(Cl)c2O)C[C@](C)(C(F)F)O1 705038001 MPQASBHZPVAADL-LKFCYVNXSA-N 305.752 3.290 10 10 DGCE CCN[C@@]1(C(=O)O)C[C@@H](Sc2nccs2)CC(C)(C)C1 2183528463 JIWGSZUQMCFKMO-HZMBPMFUSA-N 314.476 3.247 10 10 DGCE COc1cccc(O)c1CNc1ccc(Br)nc1 2042571930 SXTBUMPSBBIAQT-UHFFFAOYSA-N 309.163 3.170 10 10 DGCE CO[C@H]1CC[C@H](CNCc2ccc(Br)cc2O)C1 2054472219 UIEFQLIJHYXJBN-GWCFXTLKSA-N 314.223 3.059 10 10 DGCE CCN(CCF)c1ccc(CNC2CC2)c(Br)c1 2065019692 SGZLZVCYABJZEE-UHFFFAOYSA-N 315.230 3.497 10 10 DGCE CS[C@H](CNCc1cccc(Br)c1O)C1CC1 2212994315 KIPYYGWXROONEB-GFCCVEGCSA-N 316.264 3.386 10 10 DGCE CSc1ncc(CN[C@H]2CCO[C@@H](C(F)(F)F)C2)s1 2269272971 RSFHNVAWLAHYOD-IONNQARKSA-N 312.382 3.065 10 10 DGCE CSc1ncc(CNC[C@H](O)c2ccc(Cl)cc2)s1 2208451150 YBTGCSLGFUFTFV-LBPRGKRZSA-N 314.863 3.342 10 10 DGCE CNCc1cc(OC)ccc1N(C)Cc1cc(Cl)ns1 2235962429 GQNPSSINHUQQKU-UHFFFAOYSA-N 311.838 3.161 10 10 DGCE CC1(C)CCC(S(=O)(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])CC1 2239980887 FBQJQEQYTRRXLA-NEPJUHHUSA-N 300.428 3.106 10 10 DGCE COc1cc([C@H](C)NCc2cnc(SC)s2)ccc1O 2284704891 YVLVHYQPQPIGQV-VIFPVBQESA-N 310.444 3.430 10 10 DGCE CC1=NN(c2cccc(Cl)c2)C(=O)C1=CN1CCCCC1 2297361500 IJNXCNYUQLOZAR-UHFFFAOYSA-N 303.793 3.432 10 10 DGCE CCCc1cnc(NC(=O)C=Cc2ccc(O)c(O)c2)s1 2308009211 FCXCMYUZLGNEIW-UHFFFAOYSA-N 304.371 3.159 10 10 DGCE CC[C@H](C)N1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S 2323675988 GKGMIVJKSGAXFK-VIFPVBQESA-N 321.423 3.415 10 10 DGCE C[C@@H](Nc1c(N)cccc1Br)[C@H]1C[C@@H]2CCO[C@@H]21 2311936680 RIXBRUGXUBWMBN-PUXPGTEJSA-N 311.223 3.257 10 10 DGCE Oc1cc(Br)ccc1CN1CC[C@@](F)(C(F)F)C1 2315865509 GADNDDIRGJDBNS-LBPRGKRZSA-N 324.140 3.334 10 10 DGCE CN(C[C@H]1C[C@H](F)C1)c1ccc(CN)c(Br)c1F 2327501233 FUFWXUBWMUOBPD-CZMCAQCFSA-N 319.193 3.231 10 10 DGCE CN1CCCc2cc(N3CCN(c4ccccc4)CC3)ccc21 71702414 OMUVBNYKSBOXPN-UHFFFAOYSA-N 307.441 3.396 10 10 DGCE COc1ccc(CN(C)Cc2ncc(C)c(OC)c2C)c(O)c1 183780541 DVPKFERYOSWZCM-UHFFFAOYSA-N 316.401 3.053 10 10 DGCE CC[C@H]1CCCC[C@]1(NCc1cnc(SC)s1)C(=O)O 2371808514 QJDARWXCBHMIOM-IINYFYTJSA-N 314.476 3.378 10 10 DGCE CN[C@H](C)c1ccc(N(C)C[C@@H](C)OC)c(Br)c1 384975572 MBOCTPLJHVNCMJ-GHMZBOCLSA-N 315.255 3.201 10 10 DGCE CCCC[C@H](N)c1ccc(I)cc1O 95770483 JPECPFKGFDURRF-JTQLQIEISA-N 305.159 3.187 10 10 DGCE CC[S@](=O)[C@@H]1CCC[C@@H](N[C@H](C)c2cc(C)ccc2O)C1 248526217 UWXNLBUGRIUJOJ-JRMKUOIOSA-N 309.475 3.431 10 10 DGCE CCO[C@@H]1C[C@H](N[C@H](C)c2ccc(F)cc2O)C12CCOCC2 248638896 MIYXPIWMMFSLGS-OAUYIBNBSA-N 323.408 3.156 10 10 DGCE CCOc1cccc(CN[C@@]2(C)CCCC[C@H]2C(=O)OC)c1O 272370594 BNWFXNZRIGWSIQ-KSSFIOAISA-N 321.417 3.002 10 10 DGCE CCOc1ccc(O)c(CN[C@H]2CCCC23CCOCC3)c1 282566760 FCAHTXOQLNVNFP-KRWDZBQOSA-N 305.418 3.230 10 10 DGCE CCCN(Cc1ccccc1O)c1ncnc2c1ncn2C1CC1 292808174 RSUCHDDLEDMUTM-UHFFFAOYSA-N 323.400 3.283 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@H](C)[C@H](O)c2ccccc2)c1 290183264 FMGAISKWEYJRAR-JCGVRSQUSA-N 301.386 3.174 10 10 DGCE CN[C@H](c1ccc(N(C)C)cc1)[C@@H](O)c1sccc1Cl 2163129783 AUIMDBBPUKZALE-ZIAGYGMSSA-N 310.850 3.462 10 10 DGCE COC(=O)Cc1sc2cccc(Br)c2c1O 396267025 HBSGVYFITJBDPI-UHFFFAOYSA-N 301.161 3.085 10 10 DGCE COC(=O)c1ccc(O)c([C@@H](C)NCCCC2CCOCC2)c1 834818516 MYSWTACMYDXSMW-CYBMUJFWSA-N 321.417 3.036 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@]2(C)CCO[C@H]2C2CC2)cc1 835047307 FWWDAOOWLSDBNR-WFRZBGSESA-N 300.446 3.313 10 10 DGCE Cc1ccc(C(=O)N2CCc3ccccc3[C@@H](C)C2)c(O)c1O 846515175 BWWWDRUOJXLRPJ-ZDUSSCGKSA-N 311.381 3.208 10 10 DGCE CC(C)[C@@H](NCc1cc(Cl)ccc1O)C1(CO)CC=CC1 843432888 MAULVDDEDWBVOW-MRXNPFEDSA-N 309.837 3.489 10 10 DGCE Oc1cccc2c1[C@H](NCC[C@@H]1CC[C@H](C(F)(F)F)O1)CC2 926904085 DODWSEYZSMIHAV-OUCADQQQSA-N 315.335 3.469 10 10 DGCE Cc1cc(CCNC(=O)NCC(F)F)c(C)n1-c1ccccc1 752021028 ZGEJZLRJOZZCHE-UHFFFAOYSA-N 321.371 3.201 10 10 DGCE COc1ccc(N(CCC(OC)OC)Cc2ccco2)cc1F 851849128 RVFHHQKCHPXBBU-UHFFFAOYSA-N 323.364 3.443 10 10 DGCE C[C@@H](NCC1(CC(N)=O)CCCCC1)c1ccc(N(C)C)cc1 850572864 HDKNMGRVAQBVGC-OAHLLOKOSA-N 317.477 3.229 10 10 DGCE CC[C@](C)(CO)C(=O)NCc1cc(C)n(-c2ccccc2)c1C 863163565 JAAREEQDAXABLH-LJQANCHMSA-N 314.429 3.119 10 10 DGCE CC[C@@H](N[C@@H]1CCN[C@H]1C)c1ccc(C(F)(F)F)cc1O 863546574 LFXAZHNRCFKAJL-ZWKOPEQDSA-N 302.340 3.202 10 10 DGCE C[C@H](NC(=O)NCC[C@H]1CCCS1)c1ccc(N(C)C)cc1 868515656 OSRKBKIVFLIXRH-XJKSGUPXSA-N 321.490 3.399 10 10 DGCE COc1cccc([C@H](C)N[C@@H](C2CCC2)[C@H]2CCOC2)c1O 866513112 RMRFDZGQLKTSMK-JDFRZJQESA-N 305.418 3.257 10 10 DGCE COc1ccc2c(c1)NC1(CCC(C)CC1)CN2CCCO 76931201 PQNWTOYRRMMVAN-UHFFFAOYSA-N 304.434 3.258 10 10 DGCE Cc1ccc(O)c(CNC(C)(C)CCNC(=O)OC(C)(C)C)c1 397444098 AVYZTHLNPDHUBB-UHFFFAOYSA-N 322.449 3.484 10 10 DGCE CO[C@H]1CCCC[C@@H]1NCc1cc(Cl)cc(C(C)=O)c1O 799371880 HCKBTFHJOOGHJR-GJZGRUSLSA-N 311.809 3.295 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCCc2ccccc2C1 1304316078 FRWXDMOUQCMKFR-QXLXQBSBSA-N 323.392 3.175 10 10 DGCE Cc1c(C(=O)NCc2cccc(O)c2O)oc2c(F)cccc12 1176566174 RJPAECMYNMNQMW-UHFFFAOYSA-N 315.300 3.222 10 10 DGCE COC(=O)C[C@H](NCc1ccc(N(C)C)c(C)c1)C(C)(C)C 1176463477 HDQPPTGRWRDFHP-INIZCTEOSA-N 306.450 3.128 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCCN(C(=O)COCc2ccccc2)C1 1912198340 FOPAVIWCKJSNJU-OAHLLOKOSA-N 302.378 3.142 10 10 DGCE COc1ccc(CN2CC[C@H](N=[N+]=[N-])C2)cc1Br 1912185665 TYEVRZQGAOAWTI-JTQLQIEISA-N 311.183 3.342 10 10 DGCE Cn1c(C(=O)NCc2cccc(Cl)c2O)cc2ccccc21 1606860496 NNQZAEOVCCZMKY-UHFFFAOYSA-N 314.772 3.467 10 10 DGCE O=C(Cc1ccc(F)c(Cl)c1)NCc1c(O)cccc1F 1471975952 OCSMABBREDUUHO-UHFFFAOYSA-N 311.715 3.183 10 10 DGCE CCOc1c(F)cccc1C(=O)NCc1cc(C)ccc1O 1629740212 AENCEBGIBLYUDT-UHFFFAOYSA-N 303.333 3.168 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2nc(C(C)(C)C)cs2)c1 1629740504 IWMUSIYZWJYZQQ-UHFFFAOYSA-N 304.415 3.385 10 10 DGCE Cc1ccc(C(=O)Nc2ccc(Cl)c(N(C)C)c2)c(O)c1O 1645085381 ONPPPBUTXDFTRS-UHFFFAOYSA-N 320.776 3.378 10 10 DGCE O=C(NCc1cc(O)ccc1O)c1scnc1C1CCCC1 1643882068 MHZBFCKENRUUKB-UHFFFAOYSA-N 318.398 3.142 10 10 DGCE O=C(O)CC[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)C1 134704334 KRSJBYRMDRFDRE-SECBINFHSA-N 318.200 3.386 10 10 DGCE Cc1ccc(NC(=O)Cc2ccc(N)cc2)cc1OC(F)F 158587161 IEIVAVCHPVLSPT-UHFFFAOYSA-N 306.312 3.360 10 10 DGCE CNCc1ccc(N(C)CCOC(C)C)c(C(F)(F)F)c1 163732655 DMYFJIDIOFBCIU-UHFFFAOYSA-N 304.356 3.286 10 10 DGCE CCNCc1ccc(N(CC)CCCO)c(C(F)(F)F)c1 165265076 LZZWAMFCAVNSDN-UHFFFAOYSA-N 304.356 3.024 10 10 DGCE CCN[C@H](CC1(NC(=O)OC(C)(C)C)CC1)c1ccccc1O 1936980595 IHLODBHEJRMXFR-CQSZACIVSA-N 320.433 3.490 10 10 DGCE COc1ccc(N(C[C@@H](O)COC(C)(C)C)C(C)C)cc1F 156790527 FBCGKOOFAYSTQL-CQSZACIVSA-N 313.413 3.225 10 10 DGCE COc1cc(O)c(CN(C)Cc2ccc(Cl)nc2)cc1OC 159721070 ALKISYOEOISYMG-UHFFFAOYSA-N 322.792 3.090 10 10 DGCE O=C(O)c1ccc(/N=N/c2c(C(F)(F)F)n[nH]c2O)cc1 106388388 MTADKRVVQYGHPA-FOCLMDBBSA-N 300.196 3.248 10 10 DGCE C[C@@H](c1ccccc1)n1cnc2c1C(=O)c1ccccc1C2=O 15906205 OISDVXIDNCCDLV-LBPRGKRZSA-N 302.333 3.268 10 10 DGCE Nc1ccc(NC(=O)N[C@H]2CC[C@@H]2OCc2ccccc2)cc1 1939573414 DWNIECFYNGPULG-IRXDYDNUSA-N 311.385 3.138 10 10 DGCE C[C@@H](c1ccccc1O)N(C)c1cc(=N)[nH]cc1Br 1877518894 ZGNTURHIDLFJFG-VIFPVBQESA-N 322.206 3.160 10 10 DGCE CCc1c(NCc2cccc(Br)c2O)cnn1C 1963190698 OLDGFICXPGICMG-UHFFFAOYSA-N 310.195 3.063 10 10 DGCE CCCN[C@](CC)(CCCSc1nccs1)C(=O)OC 2144118185 BEPWHYXHNGOYIX-CQSZACIVSA-N 316.492 3.337 10 10 DGCE Oc1c(Br)cccc1CNCCOCCC1CC1 1974177748 HDAYCTYSHBLKIU-UHFFFAOYSA-N 314.223 3.061 10 10 DGCE C[C@H](CN(C)C(=O)OC(C)(C)C)[C@@H](N)c1ccc(N(C)C)cc1 1977945201 MGQCTNMRUJWPEZ-CZUORRHYSA-N 321.465 3.255 10 10 DGCE CN(C)CCN(Cc1ccccc1)c1ccc2c(c1)CC[C@H]2N 1986608769 HHSKZGXOIPZZSW-HXUWFJFHSA-N 309.457 3.201 10 10 DGCE CN(Cc1ccc(N)cc1)C(=O)c1cccc(Br)c1 35360098 STRLQBUCZAVVMR-UHFFFAOYSA-N 319.202 3.304 10 10 DGCE C[C@@H](O)c1ccc(N2CCC[C@H]2CF)c(Br)c1 2004455640 PLSRAXMYVKRFAG-KOLCDFICSA-N 302.187 3.441 10 10 DGCE CNCc1ccc(N2CCC[C@H]2CF)cc1Br 2004422909 MZXZTNJHJVJZHP-LBPRGKRZSA-N 301.203 3.107 10 10 DGCE Oc1cccc(Br)c1CNOCC1(F)CCC1 2008502899 ISOXZSQCCPDKER-UHFFFAOYSA-N 304.159 3.068 10 10 DGCE CC1(C)[C@@H]2CN(c3cc(Br)c(CN)cc3F)C[C@H]21 379534230 GQHYCCGOGBFAGC-NXEZZACHSA-N 313.214 3.139 10 10 DGCE CNCc1cc(F)c(N2CC[C@H](SC(C)C)C2)c(F)c1 383099856 XQUMJLSNQYCGST-LBPRGKRZSA-N 300.418 3.405 10 10 DGCE CN[C@@H](C)c1ccc(N(C)Cc2nnc(C)s2)c(Cl)c1 697817360 CZAZPSPSPLKGJI-VIFPVBQESA-N 310.854 3.417 10 10 DGCE CCOC(=O)c1cc(CC(C)C)nn1Cc1cccc(F)c1O 2069964434 AEOFFCULKBHASU-UHFFFAOYSA-N 320.364 3.151 10 10 DGCE Cc1ccc([C@H](C(C)C)n2nc(C(C)C)c(CO)c2N)c(O)c1 2078982383 UDFAJLNEYJBHOW-KRWDZBQOSA-N 317.433 3.340 10 10 DGCE COc1ccc(N(Cc2ccccc2)C(C)(C)CO)cc1OC 2210907016 WZDUHNWWMQBBTQ-UHFFFAOYSA-N 315.413 3.481 10 10 DGCE COc1ccc(Br)c(CN[C@@H]2C[C@@H]2C2CC2)c1O 2220461707 AAROEAKUYKQACB-BXKDBHETSA-N 312.207 3.051 10 10 DGCE CC(C)(C)OC(=O)NC[C@]1(C)CCC[C@]1(N)c1ccccc1O 2244466442 JYNOMHPSYRLDCO-ROUUACIJSA-N 320.433 3.261 10 10 DGCE CN(C)c1ccc(CNC(=O)C=CSCc2ccco2)cc1 2298080270 CNVBKHIYKXCPBF-UHFFFAOYSA-N 316.426 3.409 10 10 DGCE Cc1ncsc1/C=C\C(=O)N(C)c1cccc([N+](=O)[O-])c1 492675010 HFODLCLBRUCRMZ-SREVYHEPSA-N 303.343 3.036 10 10 DGCE CCCN1N=C(C(F)(F)F)C(=Cc2cccc(F)c2)C1=O 2332140916 WAMDYUZCLWYLTB-UHFFFAOYSA-N 300.255 3.380 10 10 DGCE Cc1ccc(CNCCOCC(C)C)c(O)c1Br 2327624202 OYZFOTZOBBNWHN-UHFFFAOYSA-N 316.239 3.225 10 10 DGCE O=C1N=C(Nc2ccccc2)S/C1=C\c1ccc(O)cc1O 6457390 RZHCPZWKVYZHDR-ZSOIEALJSA-N 312.350 3.180 10 10 DGCE COc1cccc(S[C@H](C)C(=O)Nc2ccc(N)cc2)c1 21513158 FHRLUEKPFUABNU-LLVKDONJSA-N 302.399 3.397 10 10 DGCE CCn1nnnc1-c1cccc(N[C@H](C)c2ccccc2O)c1 183700505 FYDGHENRLQLORQ-GFCCVEGCSA-N 309.373 3.239 10 10 DGCE CC(C)Cc1nsc(N[C@@H](C)Cc2ccc(O)c(O)c2)n1 185696452 SAWYARFQVBNZSO-JTQLQIEISA-N 307.419 3.191 10 10 DGCE C[C@@H]1OCC[C@@H]1N(C)[C@@H](C)c1cc(Br)ccc1O 211689811 JCZYXWJBNCSIIL-KWBADKCTSA-N 314.223 3.325 10 10 DGCE COCCNCc1ccc(N(C)Cc2ccccc2)c(OC)c1 212671844 IOYADVZLVUXUSV-UHFFFAOYSA-N 314.429 3.068 10 10 DGCE Cn1nc(C(F)F)c(CN2CCC[C@@H]2CN=[N+]=[N-])c1Cl 2364904541 DOFLCSOPBOEOMS-SSDOTTSWSA-N 304.732 3.286 10 10 DGCE C[C@H](N[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c1ccccc1O 381377013 OGUCVNHWRMXANR-XQQFMLRXSA-N 308.422 3.345 10 10 DGCE CC[C@H](NC1CC(NC(=O)OC(C)(C)C)C1)c1ccccc1O 227578004 WZSCMUADXRDJIB-PIMMBPRGSA-N 320.433 3.489 10 10 DGCE COCCN(Cc1ccccc1)c1ccc(CN)cc1Cl 384393789 ZNXGGOAEHKCCQL-UHFFFAOYSA-N 304.821 3.452 10 10 DGCE CC1(C)c2ccccc2N2CCC(=O)N[C@]21/C=C\c1cccnc1 230229562 KCMDCTVPBIDKAE-YBNHLDJLSA-N 319.408 3.109 10 10 DGCE N[C@@H](c1cc(I)ccc1O)C1CCCC1 95780781 ZNCCUULCWDYMEH-GFCCVEGCSA-N 317.170 3.187 10 10 DGCE Cc1ccc(O)c(CNC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 230167503 RWSIQEQZUHJKAG-CQSZACIVSA-N 320.433 3.047 10 10 DGCE COc1ccc(N(C[C@@H](O)COC(C)(C)C)[C@H](C)C2CC2)cc1 247005743 XEGBWAJHPJRAHU-RHSMWYFYSA-N 321.461 3.476 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCCC12CC2 625916167 MFIWXMGDRZJDID-CQSZACIVSA-N 300.402 3.058 10 10 DGCE CC(C)N1CCC(NCc2cc(Cl)c(F)cc2O)CC1 293794924 BNIUYUOJBMTVOO-UHFFFAOYSA-N 300.805 3.147 10 10 DGCE C[C@H](O)c1ccc(N(C)Cc2cnn(C)c2Cl)c(Cl)c1 2166119306 YHXZPFWVGLXYDJ-VIFPVBQESA-N 314.216 3.417 10 10 DGCE Oc1ccc(Br)cc1CNc1ncnc2c1CCC2 804827161 LXWZASINBFQODE-UHFFFAOYSA-N 320.190 3.046 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](C)CC(F)F)c1 827160177 LWXLGIDEEOQJMY-ZJUUUORDSA-N 316.348 3.052 10 10 DGCE CN(C)c1ccc(/C=C\CN(CC(=O)O)Cc2ccccc2)cc1 901569477 OEPWJGLATYGIJP-TWGQIWQCSA-N 324.424 3.353 10 10 DGCE COc1ccc(N2CCN(C(=O)C3=CC[C@H](C)CC3)CC2)cc1 836206388 DUKVQMOIRSRXCO-HNNXBMFYSA-N 314.429 3.090 10 10 DGCE Cc1cc(O)c([C@H]2C[C@@H](N)CN2C(=O)OC(C)(C)C)cc1C 1953030447 CJLIKRNUQXLMDQ-TZMCWYRMSA-N 306.406 3.018 10 10 DGCE C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(N)cc1 841296606 WFOWTSCGVAMELE-BXKDBHETSA-N 301.312 3.464 10 10 DGCE Oc1cc2c(cc1CN1CCC(OCC3CC3)CC1)CCC2 743407511 RCPWOFVJATVQEW-UHFFFAOYSA-N 301.430 3.272 10 10 DGCE C[C@H]1CN(C/C=C/c2ccc(N(C)C)cc2)CC2(CCC2)O1 843431706 BUBJQFCCUMSJIB-NBUZRDOWSA-N 300.446 3.409 10 10 DGCE O=C(O)/C=C\c1ccc(N2CCC[C@@H](CCF)C2)c([N+](=O)[O-])c1 849348685 VFAXNWAAPRHKQR-AGLBCWCQSA-N 322.336 3.269 10 10 DGCE CCOC(=O)C1=CC[C@H](N[C@H](C)c2c(C)cc(C)cc2O)C1 858509897 TYANLBHEJPPQJU-HIFRSBDPSA-N 303.402 3.312 10 10 DGCE C[C@@H](NC(=O)NCC[C@H]1CCCS1)c1ccc(N(C)C)cc1 868515655 OSRKBKIVFLIXRH-CZUORRHYSA-N 321.490 3.399 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)OCCC(F)(F)F 866418788 UDZKEGJJEHYCQM-UHFFFAOYSA-N 304.312 3.273 10 10 DGCE C=C/C(C)=C/CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 788655292 QGJQLDCKCXZYDL-IUYQLWOBSA-N 315.413 3.422 10 10 DGCE CO[C@H](CCNCc1cc(Cl)cc(C)c1O)C(F)(F)F 787417748 POPNQHMIHCDBOI-LLVKDONJSA-N 311.731 3.411 10 10 DGCE C[C@H](Cn1ncc2ccccc21)C(=O)N(C)Cc1ccccc1O 797188710 JKLWPXTZOKFONK-CQSZACIVSA-N 323.396 3.037 10 10 DGCE CCOC(=O)[C@](C)(C[C@@H](C)Sc1nccs1)NC1CC1 68639647 SWBCDEHWRRFVDT-YGRLFVJLSA-N 314.476 3.088 10 10 DGCE C[C@@H](c1ccccc1)n1cc(NC(=O)c2cccc(O)c2O)cn1 1162838815 GDVMWNBLWYQKMA-LBPRGKRZSA-N 323.352 3.156 10 10 DGCE C[C@@H](COCC1CCCCC1)NC(=O)NCc1ccccc1O 1313323276 GEXUIBFSBSXCAC-AWEZNQCLSA-N 320.433 3.177 10 10 DGCE CN(c1ccc(CO)cc1Br)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@@H]12 2116352315 AOAIPPMITXBXIY-XRMRDTNMSA-N 322.246 3.422 10 10 DGCE Cc1nc(Cl)cc(NCc2ccc3cccnc3c2O)n1 1186747160 DRFLZCNZEMKTAU-UHFFFAOYSA-N 300.749 3.304 10 10 DGCE CSCCCNCc1ccc(C)c(Br)c1O 1905180486 ZLSWBTNHVGCWEN-UHFFFAOYSA-N 304.253 3.306 10 10 DGCE COc1cccc(CNC(=O)NC[C@@H]2C[C@@H]2C2CCCC2)c1O 1263780180 YDBMNWMQAWWUKK-LSDHHAIUSA-N 318.417 3.026 10 10 DGCE NCc1ccc(N2CCc3ccccc3C2)c(Br)c1 213008458 HMLLEGOYYGDQRO-UHFFFAOYSA-N 317.230 3.471 10 10 DGCE O=C(Nc1ccc(F)cc1OCC(F)F)c1cc(O)cs1 1446969055 DJLBUXOGJLQOPH-UHFFFAOYSA-N 317.288 3.489 10 10 DGCE Cc1cc(NC(=O)c2ccc(N=NC(N)=O)cc2)nn1C(C)C 1451686456 ONSOLWWDWUGHKF-UHFFFAOYSA-N 314.349 3.187 10 10 DGCE C/C(=C/C(=O)N1CCCc2c(F)ccc(F)c21)c1cnccn1 1535135431 QITPMIYBBYQDAQ-LUAWRHEFSA-N 315.323 3.138 10 10 DGCE CNc1ccc(Cl)c(C(=O)NCc2ccc(N(C)C)cc2)c1 1540417219 CNBOJMICXLWGET-UHFFFAOYSA-N 317.820 3.378 10 10 DGCE COc1ccc(CNCCCN(C)C(=O)CC(C)(C)C)cc1C 1483451385 DTZWYNZTIUOPEJ-UHFFFAOYSA-N 320.477 3.378 10 10 DGCE CN(C(=O)OC(C)(C)C)C1(C[C@@H](N)c2ccccc2O)CC1 1925874044 SGMXZQDQMSJDCH-CYBMUJFWSA-N 306.406 3.182 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N1CCCC[C@@H]1c1ccccc1 1556099416 PUTFOWYOMCNQGP-MRXNPFEDSA-N 311.381 3.394 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2ncc(Cl)cc2Cl)c1 1633286514 FNDYUWCFRSOUIM-UHFFFAOYSA-N 311.168 3.332 10 10 DGCE Cc1nn(-c2ccccc2)cc1C(=O)N[C@H](C)c1ccccc1O 1635794217 ZVWJHQZUUSMDOX-CYBMUJFWSA-N 321.380 3.377 10 10 DGCE Cc1cc(CC(=O)N(C)CCCF)c(C)n1-c1ccccc1 1598224936 IQJNTPSJKVHMLX-UHFFFAOYSA-N 302.393 3.455 10 10 DGCE CC(C)NCc1ccc(N2CCC[C@H](N(C)C)C2)c(Cl)c1 164128460 DINKCWQNNRRLRQ-HNNXBMFYSA-N 309.885 3.368 10 10 DGCE Cc1ccnc(-c2ccc(NC(=O)Cc3ccc(N)cc3)cc2)n1 159088048 ZEJPRKYRXASKPK-UHFFFAOYSA-N 318.380 3.215 10 10 DGCE CCOC(=O)[C@H]1CCCN(/N=N/c2cccc(C(C)=O)c2)C1 1860483345 ONJDPROSXBDWSG-YWMAMYRUSA-N 303.362 3.163 10 10 DGCE CC1=NN(Cc2cccc(F)c2)C(=O)/C1=C/c1ccc(O)cc1 1865658344 GFLATRJVLGDQNV-LICLKQGHSA-N 310.328 3.333 10 10 DGCE Oc1cccc(Br)c1CNC[C@@H](F)C(F)(F)F 1876093590 MQNCWWHNZJKRBO-SECBINFHSA-N 316.092 3.145 10 10 DGCE C[C@H]1OCC[C@H]1CCNCc1cc(Br)ccc1O 1972154912 FZRLJNXTIIKUAB-GHMZBOCLSA-N 314.223 3.059 10 10 DGCE C[C@H](N[C@@H]1C[C@@H]1CNC(=O)OC(C)(C)C)c1cc(F)ccc1O 1973222240 MSTFKGCESSPCNO-MISXGVKJSA-N 324.396 3.095 10 10 DGCE Cc1cccc(O)c1CN[C@@]12C[C@H]1CN(Cc1ccccc1)C2 1976896837 PNMRWWBJQGBKHM-FXAWDEMLSA-N 308.425 3.065 10 10 DGCE Oc1cccc(F)c1CNC[C@@H]1CCCN1Cc1ccccc1 1976860171 FAUQMWRRQYCWAK-INIZCTEOSA-N 314.404 3.286 10 10 DGCE CC[C@H]1CN(c2ccc(N)cc2)CC[C@H]1NC(=O)OC(C)(C)C 1977965430 IFRUWZUXBJZAAE-XJKSGUPXSA-N 319.449 3.398 10 10 DGCE Oc1cc(Br)ccc1CNC[C@H]1C[C@@H]1C(F)F 1997383774 RFIMGAQCBMYBJW-SCZZXKLOSA-N 306.150 3.146 10 10 DGCE C[C@H](NC(=O)COc1ccc(N)cc1)c1ccc(Cl)s1 49126420 IIQSMYRJFNQVEM-VIFPVBQESA-N 310.806 3.240 10 10 DGCE CCN[C@H](c1cncc(Br)c1)c1ccccc1O 2029557270 AGDGWLWGKVXVLJ-CQSZACIVSA-N 307.191 3.249 10 10 DGCE CP(C)(=O)[C@@H]1CCCN(c2ccc(CN)c(F)c2F)C1 2159330788 QVEIKTDMGCLCIG-LLVKDONJSA-N 302.305 3.015 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@H]3C[C@H]2[C@@H]2C[C@H]32)c(Br)c1 2041511241 QBRVUQDYADKYDW-WSWLIKMPSA-N 308.219 3.347 10 10 DGCE C[C@H](N)c1ccc(N(C)C2(CO)CCSCC2)cc1Cl 2171172852 MRICLXHQTSWSOM-NSHDSACASA-N 314.882 3.054 10 10 DGCE CC[C@@H](NCc1cc(Br)no1)c1ccccc1O 718882179 QJVXOWUJIANYRA-LLVKDONJSA-N 311.179 3.384 10 10 DGCE CO[C@H]1CCCC[C@@H]1NCc1cc(Br)ccc1O 799352653 ZXRFQCOUFAVDBS-JSGCOSHPSA-N 314.223 3.202 10 10 DGCE CC(C)c1nn(Cc2c(O)cccc2F)c(C(F)F)c1CO 2078980105 AADMRMUKLHUROD-UHFFFAOYSA-N 314.307 3.329 10 10 DGCE CC[C@@H](c1ccc(C)cc1O)n1nc(C(C)C)c(CN)c1N 2078982024 QQGGDINAVUOWBK-AWEZNQCLSA-N 302.422 3.061 10 10 DGCE Cc1cc(CN)ccc1N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 1909110605 YQIIPLDJWPINMR-PZJWPPBQSA-N 321.468 3.164 10 10 DGCE CN(Cc1cccc(Cl)c1O)[C@@H]1CO[C@@H](C(F)(F)F)C1 2185547075 VPRNMWWWSHWGCQ-GXSJLCMTSA-N 309.715 3.197 10 10 DGCE C[C@@H](F)[C@H]1CCCN1c1ccc(CN)c(Br)c1F 2060888850 SNHQHUDRPILBIT-PSASIEDQSA-N 319.193 3.374 10 10 DGCE C[C@@H](c1ccc(Cl)cc1O)N1CCOC[C@@H]1C(F)(F)F 2203341247 QSPPXZSANYGBCI-QPUJVOFHSA-N 309.715 3.370 10 10 DGCE CC[C@@H](C)NCc1ccc(N(C)CC[S@@](C)=O)cc1Cl 2240021594 WNIOWAIQMSRJOA-MPBGBICISA-N 316.898 3.043 10 10 DGCE C[C@@H](NC[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C)c1ccc(F)cc1O 2296554875 BDCLGGHZWNWBRD-SUNKGSAMSA-N 324.396 3.095 10 10 DGCE COCCCN1C(=O)C(=Cc2ccccc2C)SC1=S 2296618866 YPWVFTJLVJRRPX-UHFFFAOYSA-N 307.440 3.233 10 10 DGCE CCCC1=NN2C(=N)C(=Cc3cccs3)C(=O)N=C2S1 2297307183 XKRWLTZAWSTQFM-UHFFFAOYSA-N 304.400 3.167 10 10 DGCE O=C1NC(=S)SC1=Cc1ccc(OC(F)(F)F)cc1 2297480293 ZQPPNIWVGZZPJT-UHFFFAOYSA-N 305.302 3.074 10 10 DGCE CCN1C(=O)C(=Cc2c[nH]c3ccc(OC)cc23)SC1=S 2323702564 WBVFWEFSVZAEJP-UHFFFAOYSA-N 318.423 3.398 10 10 DGCE COc1ccc(Br)c(CNC[C@H]2C[C@@H](F)C2)c1O 2327488089 YHACVVFTXWANLI-DTORHVGOSA-N 318.186 3.001 10 10 DGCE CN(Cc1cc(Br)cc(F)c1O)C[C@H]1C[C@H](F)C1 2327507152 BSBKWNKSILDDNU-JLIMDTESSA-N 320.177 3.474 10 10 DGCE Cc1ccc(CN[C@H](C)c2cnccn2)c(O)c1Br 2352944376 GTXMAKRXXIVFRI-SNVBAGLBSA-N 322.206 3.104 10 10 DGCE CCc1ccc([C@@H](COC)NCc2ccc(OC)cc2O)o1 174482286 LGNIQIINDGCOTR-OAHLLOKOSA-N 305.374 3.034 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1nc(C)c(C)nc1C 184569052 OGMHACCVTOBIAW-UHFFFAOYSA-N 313.401 3.160 10 10 DGCE O=C(O)c1cc([N+](=O)[O-])c(Sc2nccs2)cc1F 135441823 RSYOSQNRTNDQAO-UHFFFAOYSA-N 300.292 3.040 10 10 DGCE COc1cc(C)cc(CNC(=O)N(C)Cc2ccccc2O)c1 132940357 CWGLRPYKFKEZLS-UHFFFAOYSA-N 314.385 3.051 10 10 DGCE Cc1c(C)n(C)c2ccc(OCc3nsc(N(C)C)n3)cc12 421196674 JXFXZSWPTBGBDF-UHFFFAOYSA-N 316.430 3.292 10 10 DGCE CC(=O)c1ccc(NC(=O)[C@@H](C)Cc2ccc(O)c(O)c2)cc1 96785268 JFEDJHPWTVPUPQ-NSHDSACASA-N 313.353 3.118 10 10 DGCE CC[C@H](c1cc(Br)ccc1O)N(C)[C@H](C)C(=O)O 251119085 WCJANJAFQYZSCF-LDYMZIIASA-N 316.195 3.011 10 10 DGCE C[C@@H](NCCCCN(C)C)c1ccc(Br)cc1O 273575661 LRWPMCPARYPFGX-LLVKDONJSA-N 315.255 3.147 10 10 DGCE Cc1cc2c(cc1C)N(C(=O)c1c[nH]nc1-c1cccnc1)CC2 804318394 JSBMDVZECUDBIV-UHFFFAOYSA-N 318.380 3.291 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[C@@H]1C 807557095 UVMHLCJIFOEYDX-WMLDXEAASA-N 303.450 3.471 10 10 DGCE CC[C@H](NC[C@H](CO)c1cccnc1)c1cc(Cl)ccc1O 806178050 BOJVCXYMZDXXFO-CJNGLKHVSA-N 320.820 3.257 10 10 DGCE CN(CCO)c1ccc(NCc2cc(Cl)c(F)cc2O)cc1 294220459 LVVHRJZRBURNHI-UHFFFAOYSA-N 324.783 3.225 10 10 DGCE Cc1cnc(Cl)c(/C=C2\SC(N3CCCCC3)=NC2=O)c1 901435958 LNGXKKPXPQOZTE-WQLSENKSSA-N 321.833 3.500 10 10 DGCE CN(C)c1ccc(/C=C/CNCC2(CC(=O)O)CCC2)cc1 903993864 NMECKMDIPJXTHZ-HWKANZROSA-N 302.418 3.000 10 10 DGCE CN(C)c1ccc(/C=C/CN2CC[C@H](O)CC(C)(C)C2)cc1 835054661 LZCBAWLLDHLVDS-QWNKOJSDSA-N 302.462 3.249 10 10 DGCE C[C@H](CC(=O)NCCCSc1nccs1)c1cccnc1 734436682 ZAFXQRJYIKRLNL-GFCCVEGCSA-N 321.471 3.330 10 10 DGCE CN(C)c1ccc(/C=C\CNC[C@@H]2CSCCS2)cc1 835041741 DQSVCWATWVEADU-MJSXRHKHSA-N 308.516 3.204 10 10 DGCE COC(=O)/C=C\c1ccc(N2CCC[C@H](C)CC2)c([N+](=O)[O-])c1 745170380 IJAMHUYATGLLNG-WOLRVDTOSA-N 318.373 3.407 10 10 DGCE Oc1c(Cl)cccc1CN1CCc2cc(Cl)nnc2C1 843418168 JGJLUKUPEMSPPC-UHFFFAOYSA-N 310.184 3.047 10 10 DGCE CC(C)(C)OC(=O)N[C@@H](c1ccc(N)cc1O)C(F)(F)F 1953006230 FFIQECINTBXIAA-JTQLQIEISA-N 306.284 3.103 10 10 DGCE CC(C)(C)OC(=O)Nc1cccc(O)c1[C@@H]1NCCC1(F)F 1953049492 QKXVXGURVTZEOH-LBPRGKRZSA-N 314.332 3.409 10 10 DGCE CCOC(=O)C1=CC[C@@H](N[C@H](C)c2ccc(N(C)C)cc2)C1 858504251 NPTCDNCDXSKDAC-CZUORRHYSA-N 302.418 3.055 10 10 DGCE Clc1n[nH]c(C2CC2)c1CNCc1ccc2c(c1)CCO2 921651462 SDSBLFGOFKVCRI-UHFFFAOYSA-N 303.793 3.165 10 10 DGCE CCC1(CC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)COC1 929933587 KCYUKRHLTICORX-UHFFFAOYSA-N 316.445 3.060 10 10 DGCE CN(C)c1ccc(CNC(=O)N(CCC2CC2)CC2CC2)cc1 853245448 ZKZKVICLKLMCEQ-UHFFFAOYSA-N 315.461 3.474 10 10 DGCE C[C@H](N[C@@H](c1ccccc1)[C@H](C)O)c1cc(F)cc(F)c1O 850583624 MSGLHRLTGUIBDV-XMZIXOGTSA-N 307.340 3.443 10 10 DGCE O=S(=O)(Nc1ccccc1Cl)c1cc(F)cc(F)c1O 753017619 MVAYWXYSMOGFBR-UHFFFAOYSA-N 319.716 3.125 10 10 DGCE COc1cc(CN2C[C@@H]3COC[C@@]3(C)C2)c(O)c(C(C)(C)C)c1 853566316 NXMCCOMSQLQGPH-AUUYWEPGSA-N 319.445 3.167 10 10 DGCE C[C@@H](Nc1c(N)cccc1Br)[C@H]1C[C@H]2CC[C@H]1O2 697509215 YSIVAVDJBCSOOX-VWMGYNLJSA-N 311.223 3.399 10 10 DGCE COc1ccc(-n2c(C)cc(-c3nc(N(C)C)no3)c2C)cc1 769866791 QRYITRYBWQOMBU-UHFFFAOYSA-N 312.373 3.219 10 10 DGCE CCOc1ccc(CN2CCC[C@H]([C@@H]3CCOC3)C2)c(O)c1 770374371 MXFJSPUFQPRGLD-GOEBONIOSA-N 305.418 3.039 10 10 DGCE C[C@H](NC(=O)NCCc1ccsc1)c1ccc(N(C)C)cc1 773188901 UBMRDUIDTCUUEQ-ZDUSSCGKSA-N 317.458 3.417 10 10 DGCE O=C(NCCCSc1nccs1)N1CCCC12CCC2 770740441 OZWWAGNPJGJNNW-UHFFFAOYSA-N 311.476 3.353 10 10 DGCE CCOc1ccc(O)c(CNC[C@H](c2ccnn2C)C(C)C)c1 788073922 ATMXTLOJPAMLHY-INIZCTEOSA-N 317.433 3.054 10 10 DGCE CN[C@H](C)c1ccc(N2CCO[C@H](CCF)C2)cc1Cl 700575395 PSSROCQOYHIMRI-DGCLKSJQSA-N 300.805 3.185 10 10 DGCE Nc1ccc(OCCCOc2cncc(Br)c2)cc1 70486245 GKSOGUQUKCKLFP-UHFFFAOYSA-N 323.190 3.274 10 10 DGCE CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(N)cc1 1959562008 GSQVPDHCSWYUKN-OAHLLOKOSA-N 305.422 3.105 10 10 DGCE Cc1[nH]c2ccccc2c1CC(=O)NCc1c(O)cccc1F 1303877829 JAULDVLKDXQOHV-UHFFFAOYSA-N 312.344 3.180 10 10 DGCE Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CC[C@@H](C)C1 1612537267 AUESHYQKWAJDKV-UKRRQHHQSA-N 314.433 3.365 10 10 DGCE CC(C)(NC(=O)c1cccc(O)c1O)c1ccc(F)c(F)c1 1634983100 PMXQETNAJWDLGB-UHFFFAOYSA-N 307.296 3.041 10 10 DGCE O=C(NCc1c(O)cccc1O)c1ccc(-c2ccco2)s1 1647268651 AMVUEDZJHPYQPS-UHFFFAOYSA-N 315.350 3.349 10 10 DGCE CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)NCc1ccccc1O 1927901997 TZLDLUCKKXNJNK-JSGCOSHPSA-N 308.422 3.174 10 10 DGCE CC(C)(C)OC(=O)Nc1ncc([C@@H](N)c2ccccc2O)s1 1928468352 VOKUQHBMZLXJPQ-LBPRGKRZSA-N 321.402 3.244 10 10 DGCE CC1(C)C[C@]1(C(=O)NCc1cc(O)ccc1O)c1ccccc1 1651225502 MGENRLAMLDTEAN-LJQANCHMSA-N 311.381 3.082 10 10 DGCE O=C(NCc1c(O)cccc1F)N[C@@H](CF)c1ccc(F)cc1 1687379877 BXAGZSSODABLEW-AWEZNQCLSA-N 324.302 3.180 10 10 DGCE Cc1ccc([C@@H](C)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1 1938281417 NNJPZCPEANYKPA-MCIONIFRSA-N 320.433 3.407 10 10 DGCE C[C@H]1CN(c2ccc([C@@H](C)N)c(Br)c2)C[C@H]1F 1947330459 CPQXPWVFSGTQPO-IGJMFERPSA-N 301.203 3.263 10 10 DGCE C[C@H](CNCc1ccc2c(c1)CCO2)N(C)Cc1ccccc1 237583586 SUPHIZHWNNLXMY-MRXNPFEDSA-N 310.441 3.232 10 10 DGCE CC(C)(C)OC(=O)N[C@H](C(=O)O)c1cc2ccccc2cc1O 1951381821 QEZVCYLFPOPOFY-AWEZNQCLSA-N 317.341 3.196 10 10 DGCE CC(C)(C)OC(=O)NC[C@]1(F)C[C@H](CNc2ccc(N)cc2)C1 1980174838 UTKNMAWQOKQHJX-QASKLWRZSA-N 323.412 3.324 10 10 DGCE CC(C)(C)OC(=O)Nc1cnn2c1N(CCCN=[N+]=[N-])CCC2 1982247927 NPGDGYZXQGCQRR-UHFFFAOYSA-N 321.385 3.141 10 10 DGCE CCC1(F)CN(c2ccc(CNCCOC)c(Cl)c2)C1 2149824124 INRWFSHMJNQEAR-UHFFFAOYSA-N 300.805 3.014 10 10 DGCE CC[C@H]1CCOC[C@H]1NCc1cccc(Br)c1O 2035128450 FVWQQTCDMZTCQN-GXFFZTMASA-N 314.223 3.059 10 10 DGCE C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@]1(C)CN 311378305 AFVBVKFNZQVRSU-OTYXRUKQSA-N 303.233 3.116 10 10 DGCE CCN1CCc2cc([C@@H](NN)c3cscc3Cl)ccc21 2163130333 GVXABDBEIPRWAR-OAHLLOKOSA-N 307.850 3.337 10 10 DGCE CC(C)c1cc(CO)n(Cc2cccc(C(F)(F)F)c2O)n1 2070099744 RQZZBRQZGPDJQA-UHFFFAOYSA-N 314.307 3.272 10 10 DGCE C[C@H](N)c1ccc(N(CCO)Cc2cccs2)c(Cl)c1 2171101723 MGMROXXTUBOUBW-NSHDSACASA-N 310.850 3.420 10 10 DGCE COc1ccc(N(C)Cc2ccc(Br)o2)c(N)c1 2050632638 XDZJYUPLSWOOEO-UHFFFAOYSA-N 311.179 3.269 10 10 DGCE CCN[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2O)C1 2096690952 VZFMNEXETYUAJF-LBPRGKRZSA-N 303.233 3.273 10 10 DGCE COC(C)(C)[C@@H]1CCCN1c1cc(Cl)c(CN)cc1F 2203035529 LOGRCESAYZZZAV-AWEZNQCLSA-N 300.805 3.332 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@H]1NC(=O)c1cc(Cl)ncc1Cl 2225800709 RWIPLMPYTMYAGC-BDAKNGLRSA-N 300.149 3.350 10 10 DGCE [N-]=[N+]=NC1CN(C(=O)c2cccc(Cl)c2Br)C1 2248084953 USTGRPOPVXSCRH-UHFFFAOYSA-N 315.558 3.237 10 10 DGCE Cc1cc(N(C)c2ccc(Br)cc2)cc(CCN)n1 2272737501 DFPREKOJMAMYNL-UHFFFAOYSA-N 320.234 3.422 10 10 DGCE Cc1cc(Br)cnc1[C@@H](N)c1ccc(N(C)C)cc1 2269738337 CQTIGTILVVEYAI-AWEZNQCLSA-N 320.234 3.267 10 10 DGCE CN(C)c1ccc(C=Cc2ccn(C3CCNCC3)c(=O)c2)cc1 2295551689 DVGFRMQIZRGORH-UHFFFAOYSA-N 323.440 3.009 10 10 DGCE CCN(CCOC)[C@@H](C)c1cc(Br)ccc1O 133266176 BNBSMBXNJCCSIJ-JTQLQIEISA-N 302.212 3.184 10 10 DGCE CCN[C@H](C)c1ccc(N(CCO)Cc2ccccc2)cc1O 303251515 ODYRRGZCRNFEST-OAHLLOKOSA-N 314.429 3.062 10 10 DGCE COc1cc(I)cc2c(O)csc12 306722352 QCFVSBAZCJQSEJ-UHFFFAOYSA-N 306.124 3.220 10 10 DGCE CCN[C@H](C)c1ccc(N(CCOC)CCOC)cc1Cl 78905039 YNPAFITWQYQBBQ-CYBMUJFWSA-N 314.857 3.110 10 10 DGCE CC[C@@H](C)N(CCOC)Cc1cc(Cl)cc(C(C)=O)c1O 42587365 GVXIQCFOJNZXMM-LLVKDONJSA-N 313.825 3.495 10 10 DGCE Cc1cc(/C=C/C(=O)NCc2cc[nH]n2)c(C)n1-c1ccccc1 194467725 WPTPUYODVQMNQM-CMDGGOBGSA-N 320.396 3.147 10 10 DGCE CC1(C)OC[C@H]2C[C@]21NCc1cc(Cl)cc(Cl)c1O 527766536 OTRSQRCJHDAUOD-OTYXRUKQSA-N 302.201 3.356 10 10 DGCE CCOc1ccc(/C=C\C(=O)N(C)Cc2ccccc2O)cc1 255740972 OMUMVLJDGSEFQF-RAXLEYEMSA-N 311.381 3.463 10 10 DGCE Oc1cc2c(cc1CN1[C@H]3CC[C@H]1CC1(C3)CC1(F)F)OCO2 530101552 UZFMMPCTDWERRQ-RYUDHWBXSA-N 323.339 3.273 10 10 DGCE CC(C)n1ncc2c1C[C@@H](NCc1cccc(Cl)c1O)CC2 369004601 XWDAJOXNADZVJG-AWEZNQCLSA-N 319.836 3.470 10 10 DGCE COc1ccc(O)c([C@H](C)NCc2ccnc(OC(F)F)c2)c1 284282514 HQFQILXOWRQLPS-JTQLQIEISA-N 324.327 3.248 10 10 DGCE OCc1ccc(N2CC(CC(F)F)C2)cc1Br 1946933063 WXXROOTXCMJYND-UHFFFAOYSA-N 306.150 3.033 10 10 DGCE COc1cc(NC(=O)NCc2ccccc2O)c(C)c(OC)c1 800574104 FEQSAZAVIHJHBQ-UHFFFAOYSA-N 316.357 3.040 10 10 DGCE CCOC(=O)CC1(NCc2ccc(N(C)CC)cc2)CCCC1 815102286 HRWMFYMNECZWSW-UHFFFAOYSA-N 318.461 3.498 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNCc1noc(C2CC2)n1 824321584 UALFSNLKBCWDMX-UHFFFAOYSA-N 314.172 3.249 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@@H](OC)C2CCC2)cc1F 826943732 ZNYDKBRIJDGKTJ-KRWDZBQOSA-N 322.424 3.103 10 10 DGCE COC[C@H]1CCCN(Cc2cc(Cl)c(F)cc2O)CC1 825321638 JRXXSLJWCWSVDH-NSHDSACASA-N 301.789 3.433 10 10 DGCE CC(C)c1csc(CNC(=O)/C=C\c2ccc(O)c(O)c2)n1 588408309 HKAUCFUHXZQXLF-XQRVVYSFSA-N 318.398 3.007 10 10 DGCE COc1cccc(CNC(=O)NC2CC(C(C)(C)C)C2)c1O 838619525 MHOIYJIFTOZRPI-UHFFFAOYSA-N 306.406 3.025 10 10 DGCE CC(C)(C)OC(=O)NCC[C@@H]1C[C@@H]1COc1ccc(N)cc1 1952755430 QUFOUBZYKDZZBR-CHWSQXEVSA-N 306.406 3.199 10 10 DGCE CC(C)(C)OC(=O)Nc1cccc([C@@](C)(N)C(F)F)c1O 1952937281 FITBEXGEDSQEPJ-CQSZACIVSA-N 302.321 3.178 10 10 DGCE Cc1cc(N(C)C)ccc1CN[C@H](c1ccccc1F)[C@H](C)O 846012618 GFJYMOGSTFBKEU-LIRRHRJNSA-N 316.420 3.412 10 10 DGCE Cc1cc(CN(CC(=O)O)C2CCCCC2)ccc1N(C)C 846271792 BTEWQUZOWTZKJF-UHFFFAOYSA-N 304.434 3.280 10 10 DGCE Cc1cc(Br)cc([C@H](C)N[C@H]2C[C@@](C)(O)C2)c1O 841760358 UPAJBVRBWQROKJ-NURSFMCSSA-N 314.223 3.027 10 10 DGCE Cc1cc(O)c([C@@](C)(CC(=O)O)NC(=O)OC(C)(C)C)cc1C 687809377 JQBCDJRRZLZFNX-QGZVFWFLSA-N 323.389 3.224 10 10 DGCE COc1ccc(CNC2CC(c3ccccc3)C2)c(O)c1OC 1333746812 FDKGSXXDRXHBCU-UHFFFAOYSA-N 313.397 3.445 10 10 DGCE O=C(CCC[C@H](O)c1ccccc1)NCc1c(O)cccc1F 928706979 ZEMGKRJKJCPRHU-INIZCTEOSA-N 317.360 3.051 10 10 DGCE O=[N+]([O-])c1ccc(O)c(CN[C@H]2CCSC3(CCC3)C2)c1 922842319 LKGIRPVRMXGMNI-LBPRGKRZSA-N 308.403 3.208 10 10 DGCE COc1ccc(N2CCC(NC[C@@H]3CCOC3(C)C)CC2)cc1 850408736 DNBWOTRTJUOEOJ-HNNXBMFYSA-N 318.461 3.069 10 10 DGCE CCO[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)C(C)C 861729436 XKRSHJMOKGBVJZ-CYBMUJFWSA-N 320.216 3.376 10 10 DGCE COc1ccc(CNc2nccn3nc(C4CCC4)cc23)c(O)c1 865751440 ZRBBSNOHGANVHE-UHFFFAOYSA-N 324.384 3.323 10 10 DGCE Nc1ccc(CC(=O)N[C@H](Cc2cccnc2)C2CCCC2)cc1 868026194 HFNZNFPMBQTNNG-LJQANCHMSA-N 323.440 3.124 10 10 DGCE C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C1CC(=O)C1 1137816318 GBXLRNVJDLCCES-AWEZNQCLSA-N 323.392 3.461 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)C2C[C@@H]3CC[C@H](C2)S3)c1 896164866 UDHCPAYCBIUKLO-CRMUJIHISA-N 321.442 3.252 10 10 DGCE Cc1cccc(CNC[C@H]2CCCN2Cc2ccccc2)c1O 390528857 KQGIXJVYDFOKMF-LJQANCHMSA-N 310.441 3.455 10 10 DGCE CO[C@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 799383731 SNZOQXRBNXQXBL-JQFCIGGWSA-N 319.449 3.070 10 10 DGCE C[C@H](CCNC(=O)OC(C)(C)C)N(C)Cc1ccc(N)cc1 1959549258 MXBBUOBJNGZQBH-CYBMUJFWSA-N 307.438 3.004 10 10 DGCE Cc1cccc(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)c1Br 1912164084 RUSVRHKLOYQENI-SECBINFHSA-N 309.167 3.282 10 10 DGCE Cc1ccc(C(=O)N2CC[C@H](N=[N+]=[N-])C2)c(Br)c1 1912186098 ZQNXHBPMTZCMSA-VIFPVBQESA-N 309.167 3.282 10 10 DGCE Cc1cc(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)sc1Br 1912201136 PVMOHEVLALDAIV-SSDOTTSWSA-N 315.196 3.344 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC[C@@H]1C[C@H]1C 1290932206 ZNNCOCMPJQFOFO-DOMZBBRYSA-N 310.397 3.292 10 10 DGCE Oc1cccc(Cl)c1CN[C@@H]1CCOC[C@@H]1C(F)(F)F 1916572651 UTOJPJKAAOHRBT-GXSJLCMTSA-N 309.715 3.103 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)c1ccc(F)cc1O 1472518799 CTILPCYSSGKVGT-UHFFFAOYSA-N 315.344 3.046 10 10 DGCE Oc1cccc(O)c1CNc1cnc2cc(Cl)ccc2n1 1612967133 QCXIPOHDUWYBGH-UHFFFAOYSA-N 301.733 3.307 10 10 DGCE Cc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCC[C@H]1C 1612537678 JUUPNMWRBQMDJO-UKRRQHHQSA-N 314.433 3.365 10 10 DGCE CC[C@H](C)C(=O)NC[C@H]1C[C@@H](NCc2ccc(OC)c(C)c2)C1 1479280648 PTHBXSZXTHUDHU-RRQGHBQHSA-N 318.461 3.034 10 10 DGCE Cc1c(C(=O)O)cc(C(F)(F)F)n1-c1ccc([N+](=O)[O-])cc1 1542989997 LDVCCGQWWHLDNE-UHFFFAOYSA-N 314.219 3.411 10 10 DGCE Cc1noc(-c2ccccc2)c1NC(=O)c1cccc(O)c1O 1556103116 HQHWYEGODIZPTE-UHFFFAOYSA-N 310.309 3.314 10 10 DGCE COc1ccc(CNCCCN(C)C(=O)C=C2CCC2)cc1C 1733097791 CSKRPNYJPZHFCQ-UHFFFAOYSA-N 316.445 3.052 10 10 DGCE CCN[C@@H](c1ccccc1O)[C@@H](C)N(C)C(=O)OC(C)(C)C 1928469517 IVIZKJXBJTYOCG-IUODEOHRSA-N 308.422 3.298 10 10 DGCE O=C(NCc1cccc(Cl)c1O)[C@H]1Cc2ccc(F)cc21 1647829949 AQLQHMWXBCSMNZ-ZDUSSCGKSA-N 305.736 3.141 10 10 DGCE CNCc1ccc(N2CCOCC2(C)C)cc1C(F)(F)F 167368290 AQOOYPSSRMSJHK-UHFFFAOYSA-N 302.340 3.040 10 10 DGCE Cc1cccc(OC(F)F)c1NC(=O)Cc1ccc(N)cc1 154682630 KQKKZZRBYYTPGN-UHFFFAOYSA-N 306.312 3.360 10 10 DGCE Cc1cc(Cl)ccc1/N=N/N1CCN(c2ncccn2)CC1 1860480633 BCZQARGNXYVKBX-FMQUCBEESA-N 316.796 3.259 10 10 DGCE COc1cc(NN=NCc2cccnc2)cc(OC)c1OC 1860494196 UTWVXHYDXPTLKS-UHFFFAOYSA-N 302.334 3.087 10 10 DGCE C[C@@H]1C[C@H]([C@@H](N)c2ccccc2O)CCN1C(=O)OC(C)(C)C 1936968986 WMETYRUZNLGRJC-XJKCOSOUSA-N 320.433 3.428 10 10 DGCE C[C@@H]1[C@@H](CNCc2c(O)cccc2Br)C1(F)F 1947973753 VIKZISIJBLQNTQ-VXNVDRBHSA-N 306.150 3.146 10 10 DGCE CN(C[C@H]1CC1(F)F)c1ccc(CO)c(Br)c1 1948054751 GZFSGBGVPHDIBG-SECBINFHSA-N 306.150 3.033 10 10 DGCE Cc1ccc([C@H](C)N[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)c(O)c1 1973251399 QUFOJKNGAMPJFQ-YDHLFZDLSA-N 320.433 3.264 10 10 DGCE C[C@H]1CC(F)(F)CN1c1ccc(CN)cc1Br 2004604921 LLHBJJUEKPCTCG-QMMMGPOBSA-N 305.166 3.142 10 10 DGCE Cc1cccc(O)c1CN[C@H]1CC[C@@H]1CNC(=O)OC(C)(C)C 1986709265 KFNXIUMWPHFVMQ-HIFRSBDPSA-N 320.433 3.094 10 10 DGCE C[C@@H](N)c1cc(F)c(N(Cc2ccccc2)[C@H](C)CO)c(F)c1 1990440671 TUMLQWDAMOOCBC-CHWSQXEVSA-N 320.383 3.372 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[C@]21COc1ccc(N)cc1 1992519556 KSHXGAIEYNIBQP-PNPHSEOMSA-N 318.417 3.341 10 10 DGCE CSC[C@H]1CCCN1c1ccc(CN)cc1C(F)(F)F 400463464 TVSUBXAEFHAAGJ-LLVKDONJSA-N 304.381 3.496 10 10 DGCE Oc1ccc(Cn2ncc(C3CCC3)c2Br)c(O)c1 2070206327 NPGVTFAWYQWNMT-UHFFFAOYSA-N 323.190 3.373 10 10 DGCE CN(CC1[C@H]2CC[C@H]12)c1cc(Br)c(CN)cc1F 2041985514 DXDCNUSOBVPKIQ-UWVGGRQHSA-N 313.214 3.139 10 10 DGCE NCc1cc(F)c(N2CCCC[C@H]2CCCO)cc1Cl 2206665659 GQIRUQJMLYJBBV-LBPRGKRZSA-N 300.805 3.069 10 10 DGCE CSc1ncc(CNCc2conc2C(F)(F)F)s1 2208810663 ZQZVRDQZRYKVKG-UHFFFAOYSA-N 309.338 3.162 10 10 DGCE CCC[C@H]1C[C@@H]1NCc1c(Br)ccc(OC)c1O 2220463209 XYBDUAPOSCLYKW-CABZTGNLSA-N 314.223 3.442 10 10 DGCE CSc1ncc(Cn2c(S)nc3c(C)ccnc32)s1 2269276649 GQDVURRQQAJCAQ-UHFFFAOYSA-N 308.457 3.255 10 10 DGCE CCc1nsc(CN(C)c2ccc([C@@H](C)N)cc2Cl)n1 2288836445 HMCNNRGMMAMIPW-SECBINFHSA-N 310.854 3.410 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc2c(c1)CCCO2 2307996594 WOZDMINQKPCTBC-UHFFFAOYSA-N 311.337 3.075 10 10 DGCE [N-]=[N+]=NCc1ccc(C(=O)NCCOc2ccc(F)cc2)o1 1537962940 KJHDLHGEHHVOPJ-UHFFFAOYSA-N 304.281 3.038 10 10 DGCE CN(C)c1ccc(CNC(=O)NCc2cc(F)cc(F)c2)cc1 31730804 ISTJWISXUCYKAI-UHFFFAOYSA-N 319.355 3.030 10 10 DGCE CCCOc1ccc(CNc2cnc3[nH]nc(C)c3c2)c(O)c1 185910006 PLNFZFAXIDTSSR-UHFFFAOYSA-N 312.373 3.373 10 10 DGCE Oc1cc(Br)cc(Br)c1[C@@H]1CCCN1 238727208 PNUBNUVJUABDPE-QMMMGPOBSA-N 321.012 3.342 10 10 DGCE COc1ccc(O)c(CNC(=O)C/C=C\c2ccccc2F)c1 255892286 RNUMDEAWJOJVDB-XQRVVYSFSA-N 315.344 3.260 10 10 DGCE Cc1cc(O)c(CNc2ccc3c(c2)OCCNC3)c(Cl)c1 530248273 HYBVHRNVRYQYDB-UHFFFAOYSA-N 318.804 3.448 10 10 DGCE Cc1ccc(C2CC2)c(C(=O)NCCc2ccc(O)c(O)c2)c1 819399041 ZJPJDBQBOHFAPJ-UHFFFAOYSA-N 311.381 3.256 10 10 DGCE CCOC(=O)C1(CNC/C=C\c2ccc(N(C)C)cc2)CCC1 835048374 QQIYGKBEHZWMLN-ALCCZGGFSA-N 316.445 3.089 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)Cc2ccco2)c1 830540687 NGXQJFQISURXCK-NEPJUHHUSA-N 303.358 3.050 10 10 DGCE C[C@@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)Nc1ccc(N)cc1 841297306 DTVWDEPBKNOUMZ-YVEFUNNKSA-N 311.385 3.125 10 10 DGCE C/C(=C\c1ccccn1)C(=O)NCCCSc1nccs1 847488096 SUHXMUALIYEMFX-VAWYXSNFSA-N 319.455 3.240 10 10 DGCE CO[C@](C)(CO)CN[C@@H](C)c1ccc(N2CCCCCC2)cc1 848560152 ZEJMOOOCXGBSQH-LPHOPBHVSA-N 320.477 3.115 10 10 DGCE C[C@@H](NC[C@@]1(C(F)(F)F)CCCN1)c1ccc(N(C)C)cc1 925855846 IFDXQPUQLIDSTE-IUODEOHRSA-N 315.383 3.088 10 10 DGCE Oc1cc2c(cc1CN1CCCC[C@H]1CC1CCC1)[C@@H](O)CO2 853607796 VXOSWQMKGYYXAY-YJBOKZPZSA-N 317.429 3.363 10 10 DGCE COC(=O)c1nc(CN[C@H](C)c2ccccc2O)ccc1Cl 850515103 ZOQFECBIFUTCBG-SNVBAGLBSA-N 320.776 3.078 10 10 DGCE CO[C@@H](CCNCc1ccc2c(c1)CCCO2)C(F)(F)F 922042519 UWBSDOOVSRCBCX-AWEZNQCLSA-N 303.324 3.069 10 10 DGCE Nc1ccc(NC(=O)NCC[C@@H]2OCCc3ccccc32)cc1 926140594 BLVQBLBKPLYLKH-KRWDZBQOSA-N 311.385 3.094 10 10 DGCE CN1CCCc2cc(CN[C@@H]3CCN(C)C(C)(C)C3)ccc21 858116010 HYLPOEDJLYBVCO-QGZVFWFLSA-N 301.478 3.031 10 10 DGCE c1ccc(COc2ccc(N3CC[C@@H]4CCN[C@@H]4C3)cc2)cc1 1899864295 QUPFFNKPEBXPEG-FXAWDEMLSA-N 308.425 3.454 10 10 DGCE CCOC(=O)C1=CC[C@@H](N[C@@H](CC)c2ccc(F)cc2O)C1 858505869 BPMVFRQYMVBVLR-HIFRSBDPSA-N 307.365 3.224 10 10 DGCE CN(C)c1ccc(CNCc2cnc(Cl)c(F)c2)cc1F 865437168 BRDAMLUJWBXKAR-UHFFFAOYSA-N 311.763 3.369 10 10 DGCE O=[N+]([O-])c1ccc(O)c(CNC2CCC(C(F)F)CC2)c1 799717439 FGULEIIIJVIMST-UHFFFAOYSA-N 300.305 3.214 10 10 DGCE C[C@H](NCc1ccncc1Br)c1c(O)cccc1O 686562243 YEPZDZYKLWBPLF-VIFPVBQESA-N 323.190 3.106 10 10 DGCE C[C@H](NC(=O)c1ccnc(-n2cccc2)c1)c1ccccc1O 1302538116 HLCBZIUDVYVTGC-ZDUSSCGKSA-N 307.353 3.069 10 10 DGCE CCNCc1ccc(N2CCP(C)(=O)CC2)c(Cl)c1 2115345376 FCMOUYANJMEVHG-UHFFFAOYSA-N 300.770 3.262 10 10 DGCE COc1ccc(N(C)C[Si](C)(C)c2ccccc2)cc1OC 1190673545 JRIVFUCEWWLOMH-UHFFFAOYSA-N 315.489 3.295 10 10 DGCE CC(C)CNCc1cnc(S[C@@H]2CCC[C@H](O)C2)s1 2133407566 HKYHVILNFRNPSZ-NWDGAFQWSA-N 300.493 3.284 10 10 DGCE CC1(C)CN(c2ccc(C=CC(=O)O)cc2Br)C1 1911814823 IJBWCKHWCJXDDS-UHFFFAOYSA-N 310.191 3.393 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN(Cc2cncc(Br)c2)C1 1912179924 YVIASOKTFYXVKZ-SNVBAGLBSA-N 310.199 3.366 10 10 DGCE C[C@H](CCO)N(Cc1ccccc1)c1ccc(CN)cc1F 1915390794 XCTQJLBWRLLHRC-CQSZACIVSA-N 302.393 3.062 10 10 DGCE CCc1ccc(CN(C)C(=O)c2c(F)ccc(O)c2O)cc1 1457502767 ABLZQIQPZCQAHF-UHFFFAOYSA-N 303.333 3.072 10 10 DGCE Cc1ccncc1/C=C\C(=O)N1CCOc2c(F)ccc(F)c21 1538194475 LEMRWXWQHIMWRS-DJWKRKHSSA-N 316.307 3.107 10 10 DGCE O=C(C[C@@H]1CCCc2ccccc21)NCc1c(O)cccc1O 1472063017 BZEXPMQTSMQDSJ-AWEZNQCLSA-N 311.381 3.224 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCC1CCC1 1540743737 YVIKGIKONUOZER-UHFFFAOYSA-N 310.397 3.437 10 10 DGCE C[C@H](NCc1ccc(Br)cn1)c1c(O)cccc1O 1927137712 MMMKZANICABAJH-VIFPVBQESA-N 323.190 3.106 10 10 DGCE CC[C@H](Cc1cccc(C)c1)C(=O)NCc1c(O)cccc1O 1652625522 HBAFQPRUQFITLM-OAHLLOKOSA-N 313.397 3.291 10 10 DGCE COc1csc(C(=O)N(Cc2ccc(N)cc2)C2CC2)c1 161892115 ZUUQAGYRAALQSO-UHFFFAOYSA-N 302.399 3.144 10 10 DGCE CCN(Cc1ccc(C(N)=O)cc1Cl)c1ccc(N)cc1 163465707 DDBUDSXKSKDYSI-UHFFFAOYSA-N 303.793 3.048 10 10 DGCE CC(C)NCc1ccc(N(C)C[C@H]2CCCN2C)c(Cl)c1 164146248 IWKASDHMXLMWDX-OAHLLOKOSA-N 309.885 3.368 10 10 DGCE CCCN(CCC)c1ccc(CN[C@@H]2CCN(C(C)=O)C2)cc1 152845268 HZHAYDRFDGAOKJ-GOSISDBHSA-N 317.477 3.023 10 10 DGCE CN(C)c1ccc(N=Nc2ccccc2)cc1S(=O)(=O)O 606515371 URBGCCIOBPPOLK-UHFFFAOYSA-N 305.359 3.415 10 10 DGCE CC(C)(C)OC(=O)N[C@@]1(C)CCC[C@H]1[C@H](N)c1ccccc1O 1937382432 YVKHZSSDKBGYDL-JOQOYGCGSA-N 320.433 3.476 10 10 DGCE CC[C@H]1C[C@@H](NCc2cc(Br)ccc2O)CCO1 824376770 NUOQWSHYYPAAKX-STQMWFEESA-N 314.223 3.202 10 10 DGCE Nc1cccc(Br)c1N[C@@H]1CCCC[C@@]12CCNC2 1876307455 RMYUSLWCCJRBBD-HIFRSBDPSA-N 324.266 3.366 10 10 DGCE OC[C@@H]1[C@H]2CCN(c3ccc(OCc4ccccc4)cc3)C[C@@H]21 1899864870 ISSYWGKHKKWQSZ-SLFFLAALSA-N 309.409 3.330 10 10 DGCE C[C@@H](c1ccccc1O)N(C)Cc1c(Br)cnn1C 1968790740 NCMVINRASTYHSW-JTQLQIEISA-N 324.222 3.081 10 10 DGCE CC(C)(C)OC(=O)NC1(CCNCc2cccc(F)c2O)CC1 1972552084 UNNZNHAXKXBOPZ-UHFFFAOYSA-N 324.396 3.068 10 10 DGCE CCCOc1cc(N2CC(OCc3ccccc3)C2)ccc1N 1977118843 CYDKGCQUFXPABB-UHFFFAOYSA-N 312.413 3.463 10 10 DGCE CC(C)(C)OC(=O)NC(C)(C)[C@H]1CCN(c2ccc(N)cc2)C1 1994520022 FQQOHAZBHINIGE-ZDUSSCGKSA-N 319.449 3.398 10 10 DGCE C[C@H]1COCC[C@@H]1N(C)Cc1ccc(Br)cc1O 2031921342 SQRGSDUKTAXOPO-GWCFXTLKSA-N 314.223 3.012 10 10 DGCE Oc1cc(Br)ccc1Cn1ccc(C(F)(F)F)n1 2070092199 UCOXKKLCTOHFJH-UHFFFAOYSA-N 321.096 3.418 10 10 DGCE COc1ccc(O)c([C@@H](C)n2nc(-c3ccccc3)cc2CO)c1 2070170136 HEBKCWGPRFQDRK-CYBMUJFWSA-N 324.380 3.366 10 10 DGCE Cc1nc(CNCc2ccc(Br)cc2O)c(C)o1 2042420307 URJFCGUHOSLOPX-UHFFFAOYSA-N 311.179 3.049 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@@H](F)C[C@H](F)C2)cc1Br 2062396703 OKGRDGKZACNXRC-UTLUCORTSA-N 319.193 3.355 10 10 DGCE Oc1c(F)cc(Br)cc1CN1C[C@H](F)C[C@@H](F)C1 2062334373 GNEAHFBKSZJWQE-NXEZZACHSA-N 324.140 3.176 10 10 DGCE CO[C@H]1C[C@@H](C)CN(Cc2cccc(Br)c2O)C1 2085098184 OJJCIZXBYAXDLS-PWSUYJOCSA-N 314.223 3.012 10 10 DGCE CSc1ncc(CNC[C@@H](C)[C@@H](N)c2ccccc2)s1 2284729530 QBFVZOGRQBBJNP-BXUZGUMPSA-N 307.488 3.291 10 10 DGCE CSc1ncc(CNCCC[C@@H](CCN)C(C)C)s1 2269305676 ZAWUYNHHOKIDBD-LBPRGKRZSA-N 301.525 3.356 10 10 DGCE CC(C)N(C(=O)C=Cc1ccc(N2CCOCC2)cc1)C(C)C 2297522060 WMTWCAUPJGPGRU-UHFFFAOYSA-N 316.445 3.182 10 10 DGCE C[C@H](N)c1ccc(N2CCCO[C@H](C)C2)c(Br)c1 109571842 FAOBJZAUXAEDLH-MNOVXSKESA-N 313.239 3.084 10 10 DGCE C[C@H](Nc1ccccc1S(C)(=O)=O)c1ccc(F)cc1O 62747360 FZAHFVKECXWHLF-JTQLQIEISA-N 309.362 3.108 10 10 DGCE COC[C@@H]1CCN([C@@H](C)c2cc(Br)ccc2O)C1 217887294 FVLUZRRIEJYDKP-WDEREUQCSA-N 314.223 3.184 10 10 DGCE Nc1ccc2c(ccn2Cc2ncccc2Br)c1 381194277 ZFOQGAKMNQEIDG-UHFFFAOYSA-N 302.175 3.429 10 10 DGCE C[C@@H](Nc1cccnc1Br)c1c(O)cccc1O 235212336 SBHPPXQJHAPNNE-MRVPVSSYSA-N 309.163 3.428 10 10 DGCE COc1cc(N(C)Cc2ncccc2C)cc(OC)c1OC 93176090 GKDWFCFJBRAKMR-UHFFFAOYSA-N 302.374 3.052 10 10 DGCE CSc1ncc(CN[C@]2(C(=O)O)CCC[C@@H](C)[C@H]2C)s1 2371711647 DHTYIEJBIWHRDJ-GPCCPHFNSA-N 314.476 3.234 10 10 DGCE Cc1ccc(O)c(CN2CCO[C@@H](c3nc(C)cs3)C2)c1 92790243 JBHIKFCEDDQJFU-OAHLLOKOSA-N 304.415 3.039 10 10 DGCE CC(C)(CO)NC(=S)N(c1ccccc1)c1ccc(N)cc1 240823537 BDNNZEQUDVGWOD-UHFFFAOYSA-N 315.442 3.052 10 10 DGCE O=C1N=C(Nc2ccccc2)S/C1=C/c1cccc2c1OCO2 255901872 RVBCHROASAKIJQ-NTEUORMPSA-N 324.361 3.498 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)CCc1ccsc1 808094752 CSKCTHGZTBJYTG-UHFFFAOYSA-N 310.415 3.188 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)[C@H]1CCN(C)[C@@H](C)C1 291672188 WKHCGIHISSUPPS-HOTGVXAUSA-N 318.461 3.251 10 10 DGCE COc1ccc(O)c([C@@H](C)N[C@@H]2COc3ccc(F)cc3C2)c1 290413180 UGMRSSGSYMMHJS-RISCZKNCSA-N 317.360 3.194 10 10 DGCE CN(c1ccc(CNC[C@@H](O)C2CC2)cc1)C1CCCCC1 818981851 ZRULFADXORLDSU-LJQANCHMSA-N 302.462 3.316 10 10 DGCE Cc1cc(CC(=O)N(C)Cc2ccon2)c(C)n1-c1ccccc1 828454643 XJXXWUIFYNANFM-UHFFFAOYSA-N 323.396 3.283 10 10 DGCE CC[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1nc(C)cs1 588404135 PHEUJMXYDBZGQO-HWPRWLFBSA-N 318.398 3.143 10 10 DGCE COc1ccc(O)c(CNC(=O)c2sc(C(C)C)nc2C)c1 734015460 LVGAGLSCIWWAPG-UHFFFAOYSA-N 320.414 3.219 10 10 DGCE CN(C)c1ccc(/C=C\CN2CC[C@@H](O)C23CCCC3)cc1 835055968 QNXDWQLBGKPWSF-OOFWQKGWSA-N 300.446 3.145 10 10 DGCE CO[C@@H](CCNCc1c(O)cc(C)cc1Cl)C(F)(F)F 840938877 IZEOJXGDDAUPJM-LBPRGKRZSA-N 311.731 3.411 10 10 DGCE Cc1cc(O)c(CNc2ncn(CC(F)(F)F)n2)c(Cl)c1 840884192 KDZCWXZWZRHYMF-UHFFFAOYSA-N 320.702 3.120 10 10 DGCE CC[C@H](N[C@H]1C[C@@](CN)(c2ccccc2)C1)c1ccccc1O 925886915 MYZPQHYAZANMTR-XKGZKEIXSA-N 310.441 3.492 10 10 DGCE CCN(CC)c1ccc(CNCCc2cc(C)n(C)n2)cc1F 922688657 SFAUSZVFYLKFFF-UHFFFAOYSA-N 318.440 3.046 10 10 DGCE CCOC1CCC(N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1 850486525 ISKMYBNIKRUPLR-WUJZJPHMSA-N 318.461 3.211 10 10 DGCE C[C@@H]1CNC[C@H]1CN[C@H](C)c1ccc(N2CCCCC2)cc1 925793429 YQYZXMWTMORQJB-NUJGCVRESA-N 301.478 3.183 10 10 DGCE CC(C)(C)C[C@@H]1CCCN1Cc1cc2c(cc1O)OC[C@@H]2O 768445146 QEYVBTQFPLLXSW-BBRMVZONSA-N 305.418 3.219 10 10 DGCE c1ccc(COc2ccc3c(c2)CCCN3Cn2cnnc2)cc1 776763308 QVLHGQLMUQAURM-UHFFFAOYSA-N 320.396 3.267 10 10 DGCE Cc1cc(O)c(CN2C[C@H](C(F)(F)F)OC[C@H]2C)cc1C 795694932 UVZWEHBFNRMBSA-BXUZGUMPSA-N 303.324 3.161 10 10 DGCE CN(C)c1ccc(CNC(=O)C[C@H]2CCC(F)(F)C2)cc1F 797845956 GSCGRTKUSZLWOE-LLVKDONJSA-N 314.351 3.333 10 10 DGCE Nc1ccc(OCCC(=O)OCc2ccsc2Cl)cc1 687978967 OQDSASXLIFZUOR-UHFFFAOYSA-N 311.790 3.496 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2C[C@@H]3CSC[C@H]3C2)c1O 711550314 UJWAPQJWRDXQIZ-VXGBXAGGSA-N 311.834 3.043 10 10 DGCE Cc1csc(C)c1S(=O)(=O)N[C@H](C)c1ccccc1O 919119863 RMBAPUHOTTWVQQ-SNVBAGLBSA-N 311.428 3.110 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)c1cc2ncccc2o1 1165507182 BLLUUOOZWKSCLN-UHFFFAOYSA-N 302.717 3.117 10 10 DGCE CCOc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]3C(C)C)CC2)cc1 1320679171 IECDUWFJFDUDQR-QZTJIDSGSA-N 316.445 3.026 10 10 DGCE CSc1nc2ncnc(N3Cc4cccc(O)c4C3)c2s1 1187406107 TZONACPHGUMWAK-UHFFFAOYSA-N 316.411 3.034 10 10 DGCE CC(C)CCNCc1ccc(N2CCN(CC3CC3)CC2)cc1 1338987205 CZGJBCQLDNPRTR-UHFFFAOYSA-N 315.505 3.354 10 10 DGCE Oc1ccc(Br)cc1CN[C@H]1COc2ccccc21 105468279 QXWDQQDJUNIPHQ-ZDUSSCGKSA-N 320.186 3.378 10 10 DGCE CC[C@@H](NC(=O)c1cccc(O)c1O)c1ccc(C)c(F)c1 1446888167 HMIXEEICXVBOAT-CQSZACIVSA-N 303.333 3.426 10 10 DGCE CCN(CC)c1ccc(CNC(=O)c2cc(Cl)no2)cc1 1464304414 ZXHNIZVGPCJVAK-UHFFFAOYSA-N 307.781 3.104 10 10 DGCE Cc1ccc2c(c1)[C@@H](NC(=O)NCc1c(O)cccc1F)CC2 1478912043 IZPOSTKQGMBYMK-INIZCTEOSA-N 314.360 3.326 10 10 DGCE C[C@@H](SCc1ccccc1)C(=O)NCc1cc(O)ccc1O 1558174361 KPWACCKSVDIOOE-GFCCVEGCSA-N 317.410 3.036 10 10 DGCE COc1cc(NC(=O)c2ccc(N=NC(N)=O)cc2)ccc1F 1625312125 SDOQCQTWHYHMJN-UHFFFAOYSA-N 316.292 3.249 10 10 DGCE CN[C@@H](C)c1ccc(N(C)Cc2ccno2)c(Br)c1 2137782443 UTNBOXDURVILIZ-JTQLQIEISA-N 324.222 3.354 10 10 DGCE C[C@H](Oc1cccnc1)C(=O)NCc1c(O)ccc2ccccc12 1597736938 PIGNZPDYTGBYNP-ZDUSSCGKSA-N 322.364 3.024 10 10 DGCE CC(C)[C@H](NC(=O)OC(C)(C)C)[C@](C)(N)c1ccccc1O 1933869026 IHJJTCSZHHSKGX-WMLDXEAASA-N 308.422 3.115 10 10 DGCE COc1cc(C)cc(CN(C)c2cccc([N+](=O)[O-])c2)c1O 164903227 GCDRVADFQDZRNE-UHFFFAOYSA-N 302.330 3.254 10 10 DGCE Nc1ccc(OCCCN2CC=C(C(F)(F)F)CC2)cc1 167131950 XQZUQARIZGQMMM-UHFFFAOYSA-N 300.324 3.232 10 10 DGCE CCOC(=O)CCN(CC)/N=N/c1ccc([N+](=O)[O-])c(C)c1 1860488342 OGYGOASGTPPEHO-FOCLMDBBSA-N 308.338 3.177 10 10 DGCE CC(C)(C)OC(=O)Nc1cccnc1[C@@H](N)c1ccccc1O 1936975028 MMUWYWNIFPLFNO-AWEZNQCLSA-N 315.373 3.182 10 10 DGCE C[C@@H]1CCN(c2ccc(CN)c(Br)c2)C[C@@H]1F 1946916348 CBTOIZASKWSGBV-RNCFNFMXSA-N 301.203 3.092 10 10 DGCE Nc1cccc(Br)c1N[C@H]1CCCC[C@]12CCNC2 1876307454 RMYUSLWCCJRBBD-DZGCQCFKSA-N 324.266 3.366 10 10 DGCE Oc1ccc(Br)cc1CN1[C@H]2CC[C@@H]1[C@H]1CC[C@@H]2O1 1900444384 IJJNFAMMSHVMRV-CUFDPUGPSA-N 324.218 3.049 10 10 DGCE O=C(O)[C@@]12C[C@H]1CCCN2Cc1cc(Cl)cc(Cl)c1O 2143929549 UBZUBGPPOONQRV-YMTOWFKASA-N 316.184 3.138 10 10 DGCE Cc1cccc(O)c1CN[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 1976877551 QIRBLNYFPJLAIE-ZIAGYGMSSA-N 320.433 3.236 10 10 DGCE Cc1ccc([C@H](C)NC[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)c(O)c1 1978009214 PJBIHHPMSUBBQV-YDHLFZDLSA-N 320.433 3.264 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@]12C[C@@H]2[C@@H](N)c1ccccc1O 1981391786 IHEREAOYHJMENM-LJGDNWOOSA-N 318.417 3.085 10 10 DGCE CN(Cc1cnsc1)c1ccc(CO)cc1C(F)(F)F 2150306058 XCYJXNPTTSPMBG-UHFFFAOYSA-N 302.321 3.291 10 10 DGCE Cc1cccc(O)c1CN[C@H](C)C(C)(C)NC(=O)OC(C)(C)C 1991719763 GSVFHYGYHYTGCX-CYBMUJFWSA-N 322.449 3.482 10 10 DGCE CC[C@@H](COC)N(C)Cc1ccc(Br)cc1O 2001430893 XAGNVXOARRZVBI-LBPRGKRZSA-N 302.212 3.012 10 10 DGCE CN(CC1(F)CCC1)c1ccc(CO)c(Br)c1 2008517338 IAXAPNXSASWMFD-UHFFFAOYSA-N 302.187 3.270 10 10 DGCE Oc1cc(Br)ccc1CNC[C@H]1CCC1(F)F 2011542577 XSCMXECXAQEBKZ-SECBINFHSA-N 306.150 3.290 10 10 DGCE Oc1c(Br)cccc1CN[C@@H](CF)C(F)(F)F 2012899257 ORXNBHZBVQRGCU-QMMMGPOBSA-N 316.092 3.145 10 10 DGCE C[C@H]1CN(Cc2cc(Br)ccc2O)[C@H](C)CCO1 2031607121 LQDHZGLTPXPVIC-MNOVXSKESA-N 314.223 3.154 10 10 DGCE CCCNCc1ccc(N2CC(CF)C2)cc1Br 2041177794 JJACVIJNQRNNKI-UHFFFAOYSA-N 315.230 3.354 10 10 DGCE [N-]=[N+]=NCCCN[C@H](C(=O)O)c1csc(C(F)(F)F)c1 703347550 ZBGITIVCJJAKHC-QMMMGPOBSA-N 308.285 3.183 10 10 DGCE C[C@@H]1CSCCN(c2ccc(CN)c(Br)c2)C1 379512581 RCHVLCBIVBQMPE-JTQLQIEISA-N 315.280 3.097 10 10 DGCE CCN[C@H](C)c1ccc(N(C)[C@H](C)C[S@@](C)=O)c(Cl)c1 399250248 LGGSUVUKCJSJIT-FKANQGBASA-N 316.898 3.214 10 10 DGCE C[C@H](O)c1ccc(N(C)[C@H]2COCCC2(F)F)cc1Cl 2168226811 DKPLATSFEPSGTR-ZANVPECISA-N 305.752 3.254 10 10 DGCE C[C@H](c1c(O)cccc1F)n1nc(-c2ccccc2)cc1CO 2070165708 UQZWSFBXNSFKNL-GFCCVEGCSA-N 312.344 3.496 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CC[C@]2(CCCO2)C1 1203574479 YAYLAOBDFMTDMG-CQSZACIVSA-N 302.201 3.454 10 10 DGCE Cc1cc(N(C)Cc2ccc(Br)o2)ccc1CN 2050628948 LCPWJTMSGYFQHW-UHFFFAOYSA-N 309.207 3.446 10 10 DGCE Oc1c(Br)cccc1CN[C@@H]1[C@H]2CCC(F)(F)[C@@H]21 2051228775 FJGDMCJLXFGDGQ-INTQDDNPSA-N 318.161 3.288 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2Cc3ncsc3C2)c1O 2201413193 ZVBGHGJDGBQUCM-UHFFFAOYSA-N 308.790 3.221 10 10 DGCE CSc1ncc(CNCCC[C@H](N)c2ccccc2)s1 2284726973 UAUUFESJIBKFCH-AWEZNQCLSA-N 307.488 3.435 10 10 DGCE Cc1ccc(O)c([C@H](C)Nc2cnncc2Br)c1 2264144949 FOHFHLKTQFRMNE-VIFPVBQESA-N 308.179 3.426 10 10 DGCE CO[C@H](CSc1ncc(C[C@@H](C)N)s1)C1CCCC1 2268685958 ZKDAISZBOFMCER-ZWNOBZJWSA-N 300.493 3.330 10 10 DGCE CSc1ncc(CNC(=O)c2cc(Cl)ccc2O)s1 2269094140 QQCKWZGLNZTZJJ-UHFFFAOYSA-N 314.819 3.154 10 10 DGCE CSc1ncc(CNC(=O)c2cc(Cl)ccc2N)s1 2269134865 QRWUNMMMZCAFRX-UHFFFAOYSA-N 313.835 3.031 10 10 DGCE CCNCc1ccc(N(C)Cc2nc(C)ns2)cc1Cl 2288822031 XNMXWAKRRZPROT-UHFFFAOYSA-N 310.854 3.246 10 10 DGCE CCS[C@@H]1CCC[C@@H](NC(=O)C=Cc2ccc(O)c(O)c2)C1 2307989941 NKLLVTWWYUKHRX-ZIAGYGMSSA-N 321.442 3.292 10 10 DGCE Cc1ccc(CN[C@H]2CCS[C@H]2C)c(O)c1Br 2307477303 LARJWHGPGPFFFQ-ONGXEEELSA-N 316.264 3.447 10 10 DGCE CC(C)c1ccc(N=NN2CCN(c3ncccn3)CC2)cc1 2330193738 MBUKJCUJEMRQHO-UHFFFAOYSA-N 310.405 3.421 10 10 DGCE CCCN1N=C(CC)C(=Cc2cc(OC)ccc2OC)C1=O 2332114639 APBFMLZGJWPHGE-UHFFFAOYSA-N 302.374 3.105 10 10 DGCE Cc1ccc(CN(C)C(C)(C)CCO)c(O)c1Br 2327621941 SHKOFLFABREDLX-UHFFFAOYSA-N 316.239 3.056 10 10 DGCE [N-]=[N+]=NCCN[C@@H](C(=O)O)c1cc(F)c(Cl)cc1Cl 2349918411 VZGJZXCDOUMLKI-SECBINFHSA-N 307.112 3.158 10 10 DGCE CN[C@H](C)c1ccc(N(C)CC2CCN(C)CC2)c(Cl)c1 63120999 CPDITUQMMANIIN-CYBMUJFWSA-N 309.885 3.398 10 10 DGCE COc1cccc(CN2CCC[C@@H]2c2noc(C(C)C)n2)c1O 127843642 UMKTVXBOBXDSOX-CYBMUJFWSA-N 317.389 3.244 10 10 DGCE Cc1cc(Cl)cc(CN2CCC[C@H]2Cn2ccnc2)c1O 188420563 FHKASRIIABWICC-HNNXBMFYSA-N 305.809 3.215 10 10 DGCE COc1ccc2c(c1)NC1(CCCC1)CN2C[C@@H](C)C(N)=S 75280924 RCBDPSQRRYDGCJ-GFCCVEGCSA-N 319.474 3.162 10 10 DGCE CC(=O)c1cc(F)cc(CN(C)Cc2nc(C)cs2)c1O 79437769 NOTNASIVONWGHF-UHFFFAOYSA-N 308.378 3.131 10 10 DGCE Cc1cc(Br)cc(CN(C)C[C@H]2CCCO2)c1O 124529366 INIQGHUXKBZFBA-CYBMUJFWSA-N 314.223 3.074 10 10 DGCE CC(C)C[C@H](CN(C)C)N[C@@H](C)c1ccc(F)c(F)c1O 187698255 AQIHABBHMZVOLS-NWDGAFQWSA-N 300.393 3.297 10 10 DGCE Cc1ccc(O)c(CN[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)c1 381069231 OFZJBZDYDWXHIG-VQIMIIECSA-N 310.441 3.453 10 10 DGCE CC(=O)c1ccc(NC(=O)[C@H](C)Cc2ccc(O)c(O)c2)cc1 96785269 JFEDJHPWTVPUPQ-LLVKDONJSA-N 313.353 3.118 10 10 DGCE CCOCc1nc([C@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)no1 290214348 QEKMQCDAIICULP-STQMWFEESA-N 318.421 3.084 10 10 DGCE COc1cc(Cl)cc(CNC[C@H]2C[C@H]2C(C)(F)F)c1O 2164440166 BLLZLHHASSRRCK-LDYMZIIASA-N 305.752 3.435 10 10 DGCE CC(F)(F)C(C)(C)C(=O)NCCCSc1nccs1 823297727 IHILWWCZSNRQPN-UHFFFAOYSA-N 308.419 3.423 10 10 DGCE Cc1cc(N(C)C)ccc1CN1CCOc2ccc(O)cc2C1 827657816 QZJIJXORMPKGSO-UHFFFAOYSA-N 312.413 3.161 10 10 DGCE COc1cc(CN(C)[C@H]2CC[C@H](O)CC2)c(O)c(C(C)(C)C)c1 825635219 XNOTXUMCORCUGO-SHTZXODSSA-N 321.461 3.434 10 10 DGCE CC[C@@H](NC[C@@]1(OC)CCSC1)c1ccc(N(C)C)cc1 903308895 AITMYXPXDVAONZ-SJORKVTESA-N 308.491 3.315 10 10 DGCE CN(C)c1ccc(/C=C/CN2C[C@]3(CCCO3)[C@H]2C2CC2)cc1 835055878 OQPWUWCUJFEKFV-YGXGPUHLSA-N 312.457 3.409 10 10 DGCE NC1(c2cc(Cl)cc(Br)c2O)CC(F)(F)C1 1952591039 VJRWKAKXUYNNQY-UHFFFAOYSA-N 312.541 3.391 10 10 DGCE Cc1ccc(O)c([C@H](C)NC[C@@H]2CC[C@H](C(F)(F)F)O2)c1 903180303 YWHRDTKWZKNJQU-COPLHBTASA-N 303.324 3.461 10 10 DGCE CN(C)c1ccc(/C=C/CN2CC[C@@H]3[C@@H](CCCN3C)C2)cc1 835030452 YEHVCRBYEANRCM-DTRRYIFCSA-N 313.489 3.182 10 10 DGCE C[C@H](NCC1=CCOCC1)c1cc(Br)ccc1O 834860619 SYQPWSQJDCAKRO-JTQLQIEISA-N 312.207 3.152 10 10 DGCE CCC[C@@H](C)[C@@H](CO)NCc1cccc(Br)c1O 846017137 LJVPFQDTPUQZSJ-ZWNOBZJWSA-N 316.239 3.041 10 10 DGCE C=C/C(C)=C/CC(=O)N(C)CCN(C)c1ccc(OC)cc1 846441875 FHUOJGHWRDLFQX-VIZOYTHASA-N 302.418 3.112 10 10 DGCE CCN1C(=O)/C(=C/c2ccc(-n3cccn3)cc2)SC1=S 844152238 BOGKWMBEZFNPSF-RAXLEYEMSA-N 315.423 3.093 10 10 DGCE CC[C@H](NC[C@@H]1CNCCC1(F)F)c1cccc(Cl)c1O 925779622 YPOKQIRQSBSAOZ-GWCFXTLKSA-N 318.795 3.331 10 10 DGCE C[C@@H]1CNC[C@H]1N[C@@H](CCc1ccccc1)c1ccccc1O 925781609 BDHDXVRXQHPEMR-AYOQOUSVSA-N 310.441 3.264 10 10 DGCE C[C@]12CN(c3ccc(OCc4ccccc4)cc3)C[C@@]1(CO)C2 1899874625 OEUFLADYAFUIRA-VQTJNVASSA-N 309.409 3.474 10 10 DGCE [N-]=[N+]=NCCCCCCCCCC(=O)N1CC[C@@H](C(=O)O)C1 757145088 ODOFSIIRJPYGDX-CYBMUJFWSA-N 310.398 3.351 10 10 DGCE Cc1cn(C)nc1NC(=O)c1sccc1-n1c(C)ccc1C 856411013 HIIKNHXNHPYSBQ-UHFFFAOYSA-N 314.414 3.450 10 10 DGCE CN1CCCC[C@@H](CNC/C=C\c2ccc(N(C)C)cc2)C1 858245118 CHNMUBOTCVZDLO-POZKEBTKSA-N 301.478 3.087 10 10 DGCE COc1ccc(N2CCN(CCCC(C)(F)F)CC2)cc1F 929824571 WZECBQHVAZRMPE-UHFFFAOYSA-N 316.367 3.392 10 10 DGCE C[C@H](NCc1c(C2CCC2)cnn1C)c1cc(F)ccc1O 850551295 QMCQTLNMVWEULE-NSHDSACASA-N 303.381 3.383 10 10 DGCE CCOC(=O)C1=CC[C@H](N[C@@H](CC)c2ccc(F)cc2O)C1 858505873 BPMVFRQYMVBVLR-ZFWWWQNUSA-N 307.365 3.224 10 10 DGCE Cc1ccc([C@H](C)NCCc2c(C)nn(C)c2C)c(O)c1C 756385563 SGEFEFAGPKOOCW-ZDUSSCGKSA-N 301.434 3.253 10 10 DGCE Cc1cc(Cl)cc(CN(C)[C@@H](C)C(=O)NC(C)(C)C)c1O 777220980 WZUULJQUZYEFQW-NSHDSACASA-N 312.841 3.089 10 10 DGCE Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)ccn1C 798924404 WEBIUFXWWLCPTM-UHFFFAOYSA-N 313.445 3.450 10 10 DGCE O=C(NC1(c2ccccc2F)CCC1)c1cccc(O)c1O 1143168269 BCDUFHXJSNEXLW-UHFFFAOYSA-N 301.317 3.046 10 10 DGCE Cc1cnc(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)nc1 1162767872 FQKDLCHPPCVRIM-UHFFFAOYSA-N 320.396 3.123 10 10 DGCE C[C@@H](NC(=O)c1ccc(-c2ccccn2)nc1)c1ccccc1O 1302532478 FERGUKSHROACRL-CYBMUJFWSA-N 319.364 3.340 10 10 DGCE COc1ccc(N(CCc2ccccc2)Cc2cnnn2C)cc1 1307554978 CCNVJDVSFVLSGO-UHFFFAOYSA-N 322.412 3.073 10 10 DGCE Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccccc2O)c1C 1302532659 NKXVURABORGLFR-GFCCVEGCSA-N 314.341 3.408 10 10 DGCE CN[C@H](C)c1ccc(N2CCSC2)cc1Br 1902758440 NKSWVCSDPHPWAL-SECBINFHSA-N 301.253 3.240 10 10 DGCE CO[C@H](C(=O)Nc1c(Cl)ccc2nonc12)C1CCCCC1 1261779594 RQTAJWSTEMDYAB-AWEZNQCLSA-N 323.780 3.410 10 10 DGCE CCC(C)(C)C(=O)NC[C@H](C)NCc1ccc(OC)c(C)c1 1266968443 VPZLHEZVPMAENX-AWEZNQCLSA-N 306.450 3.034 10 10 DGCE CCNCc1ccc(N(CCCO)Cc2ccccc2)c(C)c1 1914641821 LLRGXVJUVIVTBS-UHFFFAOYSA-N 312.457 3.494 10 10 DGCE CCOc1cc(CNCc2ccccc2OC)ccc1N(C)C 211998125 DTPDCQRVAQZHCV-UHFFFAOYSA-N 314.429 3.450 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)/C=C\c1ccc(C=O)cc1 1543309400 CXSMKDOGVNBBEF-FLIBITNWSA-N 322.408 3.203 10 10 DGCE CCC(CC)c1nnc(NC(=O)Cc2ccc(O)c(O)c2)s1 1543494195 ZSCOPZOXWNSPMH-UHFFFAOYSA-N 321.402 3.034 10 10 DGCE CN(C)c1ccc(CN2CCOc3cc(F)c(F)cc32)cc1 1559959847 LDXMQMQMRIUWCU-UHFFFAOYSA-N 304.340 3.430 10 10 DGCE CCc1nnc(N(C)Cc2ccccc2O)n1CCC(C)(F)F 1498675859 USTKLKDTRXIJKG-UHFFFAOYSA-N 324.375 3.228 10 10 DGCE O=C(c1cc(O)cs1)N1CCCC[C@H]1Cc1ccc(O)cc1 1647858699 GZMSGQAYHGPDFJ-ZDUSSCGKSA-N 317.410 3.397 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H](c2ccccc2)C1 1641179785 VECKNKRGHCTFEH-MRXNPFEDSA-N 311.381 3.047 10 10 DGCE CN[C@@H](CC[C@@H](C)NC(=O)OC(C)(C)C)c1ccccc1O 1928475177 VAUJFSNUPSGMJU-OCCSQVGLSA-N 308.422 3.346 10 10 DGCE O=C(NCc1cc(O)ccc1O)C1(Cc2ccccc2)CCC1 1644753556 DHUURJOEKZBIER-UHFFFAOYSA-N 311.381 3.127 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)NC[C@@H]1C[C@H]2C=C[C@H]1C2 1685668244 LPFUTPGREAJABV-SRVKXCTJSA-N 306.793 3.057 10 10 DGCE CCC[C@@H](NCc1cccc(OC)c1O)C(=O)OC(C)(C)C 156569505 RXXDVUWRTCYQTM-CYBMUJFWSA-N 309.406 3.001 10 10 DGCE COCCNCc1ccc(N(C)[C@H](C)CSC)cc1Cl 234652492 JTGHZASRGGYXJY-GFCCVEGCSA-N 316.898 3.264 10 10 DGCE CC(C)(C)OC(=O)N1CCN(CCCCN=[N+]=[N-])[C@@H]2CC[C@@H]21 1962288440 WGRYYJLKXLQWON-OLZOCXBDSA-N 309.414 3.161 10 10 DGCE COc1cc(Cl)cc(CN[C@@H](C)CCCCCO)c1O 1969742518 HDNUAOGJRDODPN-NSHDSACASA-N 301.814 3.085 10 10 DGCE Nc1ccc(N[C@H]2CN(Cc3ccccc3)C[C@H]2C(F)F)cc1 1989883848 LQRXYOGAOPRXSA-SJORKVTESA-N 317.383 3.446 10 10 DGCE C[C@@H](O)CN(Cc1ccccc1)c1c(F)cc([C@@H](C)N)cc1F 1990441542 BSZBBBBTWUANIL-CHWSQXEVSA-N 320.383 3.372 10 10 DGCE CSCC1(C)CN(c2ccc(CN)cc2Br)C1 2011565113 GNJXVRZKLLWPBU-UHFFFAOYSA-N 315.280 3.097 10 10 DGCE NCc1ccc(N2CC(CC(F)(F)F)C2)cc1Br 2034860809 JZJZVCDETZGQEA-UHFFFAOYSA-N 323.156 3.296 10 10 DGCE CNCc1ccc(N2C[C@@H]3[C@@H](C2)C3(C)C)c(Br)c1 379553296 WCZRDDSVNRZNKZ-VXGBXAGGSA-N 309.251 3.261 10 10 DGCE C[C@@H](CNCc1ccc(Br)cc1O)c1ccccn1 691440196 NRBAOXYKJRRWPW-NSHDSACASA-N 321.218 3.443 10 10 DGCE C[C@@H]1CN(CCCc2ccc(N)cc2)CCN1Cc1ccccc1 396528862 WTJPCWBMWBERDQ-GOSISDBHSA-N 323.484 3.408 10 10 DGCE CC1(C)CSCCN1c1ccc(CN)cc1C(F)(F)F 2170986853 QCNHNIXQXSJATB-UHFFFAOYSA-N 304.381 3.496 10 10 DGCE C[C@@H](N)c1ccc(N(CC(F)(F)F)C2COC2)c(Cl)c1 2196630104 FLLPGTXYJBYCHT-MRVPVSSYSA-N 308.731 3.127 10 10 DGCE CC[C@H](CN(C)c1ccc([C@H](C)O)c(Br)c1)OC 2068156606 BGEKHTTUZBGZIM-CMPLNLGQSA-N 316.239 3.364 10 10 DGCE C[C@H](N)c1ccc(N(C)C[C@]2(Br)CC2(F)F)cc1 2082510494 PPYFGIOTCYXRIH-JOYOIKCWSA-N 319.193 3.315 10 10 DGCE COC(=O)[C@H](NCCCN=[N+]=[N-])c1cc(Cl)sc1C 2098178649 VCEMNOKNOOLMLK-SNVBAGLBSA-N 302.787 3.214 10 10 DGCE NCCc1ccnc(N2CCc3ccc(Br)cc32)c1 2098615798 CUXKDIIVONHAHH-UHFFFAOYSA-N 318.218 3.040 10 10 DGCE COc1ccnc(Sc2nccs2)c1CNC1CCC1 2281115724 TYDZMLKCWOPWMS-UHFFFAOYSA-N 307.444 3.340 10 10 DGCE O=C1C(=Cc2ccco2)SC(=S)N1C(=O)c1ccccc1 2297532001 CTXYZPKTUCDFME-UHFFFAOYSA-N 315.375 3.321 10 10 DGCE CCN(CC)c1ccc(C=C2N=C(c3ccccn3)OC2=O)cc1 2297619189 VNANNBZOOFCZEI-UHFFFAOYSA-N 321.380 3.272 10 10 DGCE Cc1ccc(CNC2CC(C)(F)C2)c(O)c1Br 2307476583 CHCLMWQHWJXQNT-UHFFFAOYSA-N 302.187 3.443 10 10 DGCE C[C@H](O)CCCN(C)c1ccc([C@H](C)O)cc1Br 2314572715 BSGYVIQKTXHAJD-QWRGUYRKSA-N 316.239 3.100 10 10 DGCE CC[C@H](C)OC(=O)NCc1ccc(C)c(Br)c1O 2327631690 RVYVFEZUGIUASS-VIFPVBQESA-N 316.195 3.488 10 10 DGCE Cc1ccc(CNCc2cc(Br)ccc2O)cc1O 2344953287 TWLHVSGMQVNRSC-UHFFFAOYSA-N 322.202 3.459 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)C2CCCC2)c1 172194444 HDWSXHJRQAAOOJ-VXGBXAGGSA-N 306.406 3.340 10 10 DGCE C[C@H](NC[C@H](C)N(C)C(=O)OC(C)(C)C)c1c(O)cccc1O 304358859 YGTBHGBIMCNJTD-RYUDHWBXSA-N 324.421 3.004 10 10 DGCE COc1ccc2c(c1)CCN2C(=O)/C=C/c1ccc(Cl)nc1 121375506 IWBFICJPVVGXEL-XVNBXDOJSA-N 314.772 3.346 10 10 DGCE COc1ccc(O)c(CN2CCC[C@@H]2c2c(C)nn(C)c2C)c1 180136145 DXYRPTZRCDEUOH-MRXNPFEDSA-N 315.417 3.088 10 10 DGCE Cc1ccc(O)c(NC2=NC(=O)/C(=C\c3ccncc3)S2)c1 210614486 DIOWYMPGBJMENX-NTEUORMPSA-N 311.366 3.178 10 10 DGCE Cc1oc(C(=O)O)cc1COc1cncc(Br)c1 70485914 JLFBKNLVGFIVOQ-UHFFFAOYSA-N 312.119 3.023 10 10 DGCE COc1ccc(CNC2CC2)cc1C[S@](=O)C1CCCC1 84049797 BYGKTAZJRMMHAD-OAQYLSRUSA-N 307.459 3.139 10 10 DGCE CCCN[C@]1(C(=O)O)CCC[C@H](Sc2nccs2)C1 93778656 NJVZYTHSBCPHNO-GXFFZTMASA-N 300.449 3.001 10 10 DGCE COCCNCc1ccc(N2CCS[C@H](C)[C@H]2C)c(C)c1 253060870 DMOWFWXSMQROTB-HUUCEWRRSA-N 308.491 3.061 10 10 DGCE O=C(/C=C\c1cc2ccccc2o1)NCc1ccc(O)c(O)c1 254975521 QKOPXTHHKXGUSJ-VURMDHGXSA-N 309.321 3.174 10 10 DGCE CN[C@H](C)Cc1noc(-c2cc(C)n(-c3ccccc3)c2C)n1 261864474 UQSZMAMTWNAUDF-GFCCVEGCSA-N 310.401 3.295 10 10 DGCE C[C@@H]1SCCS[C@H]1[C@H](N)c1ccc2c(c1)CCCN2C 2163096977 KEWJNTGMPOXKRB-IUIKQTSFSA-N 308.516 3.306 10 10 DGCE CCOc1cccc(CN2CCC3(CCC(O)CC3)CC2)c1O 295080014 IEJVAOOIIZXDLY-UHFFFAOYSA-N 319.445 3.308 10 10 DGCE O=C(O)/C=C\c1ccc(N2CC[C@@H]3C[C@H]32)cc1Br 707063170 UPVITVWDEWMOPL-GMIKGCRTSA-N 308.175 3.146 10 10 DGCE CCOCc1nc([C@H](C)N[C@H](C)c2ccc(C)cc2O)no1 290200336 PCAOBAVCMGTDHM-NEPJUHHUSA-N 305.378 3.032 10 10 DGCE Cn1cc2c(n1)CCC[C@@H]2NCc1cc(Cl)c(F)cc1O 294764490 SILMEDSWXCROCO-ZDUSSCGKSA-N 309.772 3.085 10 10 DGCE CO[C@@H](COC(=O)c1sc2nc(C)cc(C)c2c1N)C1CC1 820195670 XIDDTIZIZAIAFB-NSHDSACASA-N 320.414 3.077 10 10 DGCE CC(C)(C)N1CC[C@H]1CNCc1cc(Cl)c(F)cc1O 826790245 AFJARYIBWKNTNM-NSHDSACASA-N 300.805 3.147 10 10 DGCE CC[C@H]1[C@@H](CO)CCN1Cc1cc(Cl)cc(Cl)c1O 824636050 LHGIMQRHMYQDEZ-RNCFNFMXSA-N 304.217 3.292 10 10 DGCE C[C@@H](CNC(=O)NCc1cc(Cl)ccc1O)CC(F)F 845274248 GZHKYDOLTMYJOU-MRVPVSSYSA-N 306.740 3.136 10 10 DGCE CN(C)c1ccc(CN(Cc2cc3n(n2)CCC3)C2CC2)cc1 844279747 UXIGYKVMFXRRLQ-UHFFFAOYSA-N 310.445 3.060 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@@H]2CCC[C@H]([S@@](C)=O)C2)cc1 850354953 DVZCHFPCOJCGSH-BPAALRNMSA-N 320.502 3.045 10 10 DGCE C[C@@H]1CCC[C@H](CNCc2cc(Cl)cc([N+](=O)[O-])c2O)O1 850379800 YFRFNKYCFXIVRL-BXKDBHETSA-N 314.769 3.001 10 10 DGCE CC[C@H](N[C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccncc1 850488865 VKROJCFGKRFYNT-APWZRJJASA-N 311.429 3.410 10 10 DGCE Cc1cncc(CCN[C@H]2C[C@@H](C)c3c(F)ccc(O)c32)n1 850549456 GSKMGXYLLKVWSZ-YGRLFVJLSA-N 301.365 3.010 10 10 DGCE C[C@@H](NC(=O)NCC[C@]1(C)C[C@]1(F)Cl)c1ccccc1O 868742851 DSSMXMDXTMCUMU-VCTAVGKDSA-N 314.788 3.457 10 10 DGCE Cc1cc(CN2CC[C@@H]3CC[C@@H](O)[C@@H]32)ccc1N1CCCCC1 860131668 OGJXMQRFPSFUAK-DFQSSKMNSA-N 314.473 3.331 10 10 DGCE C[C@H](NC(=O)N[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(N(C)C)cc1 773609734 BDMCKEGSVYAUAG-HPZZRFSDSA-N 301.434 3.301 10 10 DGCE CCC(CC)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 773145867 NJBPFROIRBEJDQ-UHFFFAOYSA-N 315.505 3.497 10 10 DGCE Cc1cccnc1/C=C/C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 775404306 MOAMTPVXLRVSOA-RUMSDORHSA-N 309.413 3.347 10 10 DGCE CCOc1cccc(CNc2ccc3ccc(=O)n(C)c3c2)c1O 785533564 AYLWRCZTBQNKNC-UHFFFAOYSA-N 324.380 3.255 10 10 DGCE COc1cc(C)cc(CN[C@@H](C)c2ccc3c(c2)OCO3)c1O 894165127 IISQJVCVIHTTTO-LBPRGKRZSA-N 315.369 3.289 10 10 DGCE COc1cc(C)cc(CN[C@H](C2CCC2)[C@H]2CCOC2)c1O 895453368 BZPGGTRAJAKNLZ-WMLDXEAASA-N 305.418 3.004 10 10 DGCE Cc1ccc([C@H](C)NC2[C@H]3CN(Cc4ccccc4)C[C@H]23)c(O)c1 398347416 XVWSTDGYVPZFAP-SNRMKQJTSA-N 322.452 3.482 10 10 DGCE C[C@H]1COCCCN1c1ccc([C@@H](C)N)c(Br)c1 398912287 WMTAJRHRXKTZNM-WDEREUQCSA-N 313.239 3.084 10 10 DGCE CSC[C@@H]1CCN(c2ccc(CO)c(Br)c2)C1 706736820 PJXVMTWIYMJMHN-SNVBAGLBSA-N 316.264 3.131 10 10 DGCE CCCN(CCC)c1ccc(CN2CC[C@](C)(C(N)=O)C2)cc1 793388687 FFTTUTFCRKVXLX-IBGZPJMESA-N 317.477 3.010 10 10 DGCE [N-]=[N+]=N[C@H]1CCN(CC(=O)Nc2cccc(Cl)c2Cl)C1 1912194105 ISADUFRUHKHLKA-QMMMGPOBSA-N 314.176 3.317 10 10 DGCE CC(C)[C@@H](CO)N(Cc1ccccc1)c1ccc(CN)c(F)c1 1915327052 YXAKIHBPMBZGFE-LJQANCHMSA-N 316.420 3.308 10 10 DGCE COCCCCC(=O)N(C)Cc1ccc(N2CCCC2)cc1 1523554794 ZYJUFGGRTSPHAH-UHFFFAOYSA-N 304.434 3.062 10 10 DGCE C/C(=C/c1cccnc1)C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 1526959162 PXFZHUPPSMKXRO-JYRVWZFOSA-N 323.352 3.291 10 10 DGCE CSc1ncc(Cl)c(C(=O)N[C@@H](C)c2ccccc2O)n1 1635799208 UHJSOSSARBRGIE-QMMMGPOBSA-N 323.805 3.049 10 10 DGCE C[C@H](NC(=O)c1cccc(OC(F)F)c1)c1ccccc1O 1587447461 RJPHVPBHCWCXLE-JTQLQIEISA-N 307.296 3.485 10 10 DGCE COc1ccc(O)c([C@@H](C)NC[Si](C)(C)c2ccccc2)c1 1658023565 LKZWNDJSFJUQIX-CQSZACIVSA-N 315.489 3.206 10 10 DGCE C[C@H]1SCCS[C@@H]1c1noc(COc2ccc(N)cc2)n1 161947150 NBUBEGSMERRRKJ-RNCFNFMXSA-N 323.443 3.140 10 10 DGCE CN(C[C@@H]1CCCN1C)c1ccc(CNC2CC2)cc1Cl 164145758 LEFUPJQQSJYXAD-HNNXBMFYSA-N 307.869 3.122 10 10 DGCE COCCN(C)c1ccc(CNC2CC2)c(C(F)(F)F)c1 167367782 FIGPSEFWYFBSFG-UHFFFAOYSA-N 302.340 3.040 10 10 DGCE CCO/C(O)=C1\SC(c2ccc(C(F)(F)F)cc2)=NC1=O 100328413 WFNMKNNQTPLASX-XFXZXTDPSA-N 317.288 3.489 10 10 DGCE Oc1cc(Br)ccc1CN[C@H](C(F)F)C1CC1 1942730082 JJNXJNPZTIYHFI-NSHDSACASA-N 306.150 3.288 10 10 DGCE C[C@H]1CN(CCCCN=[N+]=[N-])[C@H](C)CN1C(=O)OC(C)(C)C 1962298746 HXEZAEVOYUAOLW-OLZOCXBDSA-N 311.430 3.407 10 10 DGCE COc1nc(N[C@H](C)c2ccccc2O)ncc1Br 1877586485 LASMTJZOKZUCPK-MRVPVSSYSA-N 324.178 3.126 10 10 DGCE NCc1ccc(N2[C@H]3CCC[C@H]2CN(Cc2ccccc2)C3)cc1 2011232624 NOXIOCLQUCGJTA-SFTDATJTSA-N 321.468 3.389 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)c2coc(Br)c2)CC1 2038000051 LUWHPPIJQBSDAZ-SECBINFHSA-N 313.155 3.347 10 10 DGCE COc1cc(Cl)cc(CNC[C@H]2C[C@@]2(C)C(F)F)c1O 2177407749 PCZYFOZSZJZTBE-YMTOWFKASA-N 305.752 3.435 10 10 DGCE CNCc1cc(C(C)C)nn1[C@@H](C)c1ccc(OC)cc1O 2070175042 LWVHRQNAQVCLFR-LBPRGKRZSA-N 303.406 3.049 10 10 DGCE Cc1cc(O)c([C@@H](n2nc(C)c(N)c2N)C2(C)CC2)cc1C 2079935793 PDOIFUVYLWLUQZ-OAHLLOKOSA-N 300.406 3.068 10 10 DGCE Cc1ccnc([C@@H](O)c2ccc(N(C)C)cc2)c1Br 2106795926 MAVMPMMHFUPHRH-HNNXBMFYSA-N 321.218 3.300 10 10 DGCE [N-]=[N+]=NCC1(CNC(=O)c2c(Cl)cncc2Cl)CC1 2227698295 YCTLVWPTCPBKKF-UHFFFAOYSA-N 300.149 3.209 10 10 DGCE COc1ncc(CN(C)c2ccc([C@H](C)N)c(Cl)c2)s1 2239979984 ZRNLFHDOFIIXHL-VIFPVBQESA-N 311.838 3.461 10 10 DGCE Cc1ccsc1C=C1SC(N2C[C@@H](C)O[C@H](C)C2)=NC1=O 2293606108 CXSCXXJSWFBCQD-GHMZBOCLSA-N 322.455 3.136 10 10 DGCE CN(C)c1ccc([C@H](N)c2cnsc2Br)cc1 2300334269 QBOMQFUHQAUPQI-NSHDSACASA-N 312.236 3.020 10 10 DGCE CCCN1N=C(C)C(=Cc2ccc(Cl)c([N+](=O)[O-])c2)C1=O 2332134378 RFWFKFYEUDMTFO-UHFFFAOYSA-N 307.737 3.260 10 10 DGCE CC(C)N[C@](CO)(CSc1nccs1)[C@H]1CC1(C)C 2340947421 XJVHFHLRVFUPBL-SMDDNHRTSA-N 300.493 3.010 10 10 DGCE Cn1cnnc1C1CCN(Cc2c(O)ccc3ccccc23)CC1 29539925 IQRKGBQMNZFRBU-UHFFFAOYSA-N 322.412 3.054 10 10 DGCE COc1ccc(N(C)Cc2cn3ccsc3n2)c(OC)c1 179005278 YAXKAZCCNMEHFC-UHFFFAOYSA-N 303.387 3.049 10 10 DGCE CN(Cc1ccccc1O)C(=O)Cc1cnc2ccccc2c1 118775203 HILMERQQVPFPGW-UHFFFAOYSA-N 306.365 3.142 10 10 DGCE CN[C@@H]1C(=O)Nc2cc(N(Cc3ccccc3)C(C)C)ccc21 302868705 LUEQFQKGJWQFLS-SFHVURJKSA-N 309.413 3.314 10 10 DGCE C[C@H](N[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C)c1ccccc1O 300217224 JDFIMCFMLJBJOD-AEGPPILISA-N 320.433 3.489 10 10 DGCE COc1ccc(O)c([C@@H](C)Nc2cccc3c2OCCO3)c1 186284118 BEIJWEYHVHIQDE-LLVKDONJSA-N 301.342 3.345 10 10 DGCE Cc1ccc([C@H](C)NCC[C@H]2C(=O)Nc3ccccc32)c(O)c1 185879325 HDKPTELCBCGYIV-XJKSGUPXSA-N 310.397 3.477 10 10 DGCE C[C@@H](N)c1ccc(N2CC[C@H](N3CCCCC3)C2)cc1Cl 78928012 SRHOVVKEUVWLGN-HIFRSBDPSA-N 307.869 3.424 10 10 DGCE [N-]=[N+]=NCCNC(=O)c1cc(Cl)ccc1Br 236055403 MDIRTZRPXYXPTR-UHFFFAOYSA-N 303.547 3.143 10 10 DGCE CC[C@H]1COCCN1[C@@H](C)c1cc(Br)ccc1O 132339700 FDYSIGABWQEQEJ-JQWIXIFHSA-N 314.223 3.327 10 10 DGCE CN(C)c1ccc([C@H](N)[C@H]2CCO[C@@]3(CCSC3)C2)cc1 229214134 JNJWFDQADUWDGL-XIRDDKMYSA-N 306.475 3.055 10 10 DGCE COCC[C@H](COC)N(C)[C@@H](C)c1ccc(Cl)cc1O 2203346116 IJEDPVPTUSWXJY-WCQYABFASA-N 301.814 3.090 10 10 DGCE CCOc1ccc(O)c(CN2CCCC[C@@H]2c2ccnn2C)c1 281349524 UACIYINAGSYULX-QGZVFWFLSA-N 315.417 3.252 10 10 DGCE CC1(C(=O)NCc2cc(Br)ccc2O)CCCC1 804733819 ZYFAEJWXIBNWBV-UHFFFAOYSA-N 312.207 3.351 10 10 DGCE Cc1ccc([C@@H](C)NCCCNCc2cccnc2)c(O)c1C 817939913 IBWPLTYVBIIJPS-MRXNPFEDSA-N 313.445 3.235 10 10 DGCE C[C@@H](N[C@@H]1CC12CC2)c1ccc(N2CCOCC2)cc1Cl 818356007 HRFABOQRSHFYGV-MLGOLLRUSA-N 306.837 3.380 10 10 DGCE CC[C@H](CC(F)F)C(=O)NCc1ccc(N(C)C)c(F)c1 837377962 OGTKCGIBFBEMNF-LLVKDONJSA-N 302.340 3.189 10 10 DGCE CN(C)c1ccc(/C=C/CNC[C@@H](O)c2ccsc2)cc1 835041369 WYWOHIYTPQSETC-REMYHPOOSA-N 302.443 3.151 10 10 DGCE CC(C)(C)c1cc(COC(=O)/C=C\c2ccc(O)c(O)c2)no1 837588433 RKWNQAQZIGUDNU-ALCCZGGFSA-N 317.341 3.140 10 10 DGCE C[C@H](N[C@H](c1ncccn1)C1CC1)c1cc(F)cc(F)c1O 903326705 MUWKNKVFYZKIBL-XPTSAGLGSA-N 305.328 3.262 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2CCN(CCCCN=[N+]=[N-])C[C@@H]2C1 1895302128 RRBCYADQZCPPSW-UONOGXRCSA-N 323.441 3.266 10 10 DGCE NCCN(CCc1ccccc1)Cc1c(O)cccc1Cl 843122216 PCLKSUHBUNZAKS-UHFFFAOYSA-N 304.821 3.049 10 10 DGCE Cc1cc(CN2C[C@H](C)[C@@H](O)[C@H](C)C2)ccc1N1CCCCC1 852499930 CIKJBHVTVCKKCZ-YRWFTTLQSA-N 316.489 3.434 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H]1CCCc2c[nH]nc21 857868853 DXXIYUIJDWXHOL-KBXCAEBGSA-N 312.461 3.382 10 10 DGCE Cc1cc(Cl)cc([C@H](C)NCCO[C@H]2CC2(F)F)c1O 850520870 HWRGGOMVHRMPGK-CABZTGNLSA-N 305.752 3.429 10 10 DGCE C[C@H](N[C@@H]1C(=O)N(C)Cc2ccccc21)c1ccc(N(C)C)cc1 857874309 OECSNBHJEDJCEJ-LIRRHRJNSA-N 323.440 3.117 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]3COCC[C@@H]32)c1O 756900528 FKTDVKQLVXLGOT-WBMJQRKESA-N 323.820 3.249 10 10 DGCE Oc1cc2c(cc1CN1CCC[C@]3(CC=CCC3)C1)[C@H](O)CO2 768445667 GKKVGTDVYQQPGM-IEBWSBKVSA-N 315.413 3.140 10 10 DGCE CC(C)(C)C[C@H]1CCCN1Cc1cc2c(cc1O)OC[C@@H]2O 768445151 QEYVBTQFPLLXSW-CJNGLKHVSA-N 305.418 3.219 10 10 DGCE COc1cccc([C@H](C)N[C@H](C2CCC2)[C@H]2CCOC2)c1O 866513114 RMRFDZGQLKTSMK-RVSPLBMKSA-N 305.418 3.257 10 10 DGCE CC[C@@H](C(=O)N1Cc2cccc(O)c2C1)c1ccc(OC)cc1 871204356 YQOOWOWYFPRUHK-MRXNPFEDSA-N 311.381 3.437 10 10 DGCE COc1ccccc1[C@@H](C)CC(=O)N1Cc2cccc(O)c2C1 871203033 PXRLJEDEFKZIEJ-ZDUSSCGKSA-N 311.381 3.437 10 10 DGCE Cc1cc(Br)c(O)c(CN=c2cc[nH]cc2F)c1 776265757 PAQJHBMQQLASAY-UHFFFAOYSA-N 311.154 3.031 10 10 DGCE COc1cc(Cl)cc(CNC2C[C@@H]3[C@@H](C2)C3(F)F)c1O 693350044 UUMVIMHDAACCND-GHMZBOCLSA-N 303.736 3.188 10 10 DGCE COCCN(CCF)c1ccc(CNC(C)C)cc1Cl 697277509 JBAUIORZEGMEDM-UHFFFAOYSA-N 302.821 3.260 10 10 DGCE Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCC[C@@H](C)O)c1 1322708310 CVXXXBZKEBPOAJ-CYBMUJFWSA-N 320.820 3.248 10 10 DGCE CSCCN(C)Cc1ccc(C)c(Br)c1O 1905179821 OMHFKJFYPGSWHM-UHFFFAOYSA-N 304.253 3.258 10 10 DGCE Cc1c(Cl)ccc2c1N(C(=O)/C=C/c1cn(C)cn1)CCC2 1360832069 MKKGJILXYQQSLS-SOFGYWHQSA-N 315.804 3.375 10 10 DGCE O=C(NCc1cc(O)ccc1O)[C@H]1CCC[C@H](C(F)(F)F)C1 1455355572 CWOQOUCLMHAYPD-ONGXEEELSA-N 317.307 3.083 10 10 DGCE Cc1conc1CNC(=O)Cc1cc(C)n(-c2ccccc2)c1C 1528870759 QOWIEWCRTGPWNM-UHFFFAOYSA-N 323.396 3.249 10 10 DGCE CC(C)c1ccc(CNC(=O)c2c(F)ccc(O)c2O)cc1 1609850369 HGHKYDMNUVDNDF-UHFFFAOYSA-N 303.333 3.290 10 10 DGCE CCO[C@H](C(=O)Nc1c(Cl)ccc2nonc12)C1CCCC1 1539053862 CVCOLQNJMMAIHG-AWEZNQCLSA-N 323.780 3.410 10 10 DGCE COc1ccc(CNCC[C@H](C)NC(=O)C2CC(C)C2)cc1C 1715636070 OZGXYMIWEVUPEL-GULBITTBSA-N 318.461 3.034 10 10 DGCE CC(C)c1cc(NC(=O)c2ccc(N=NC(N)=O)cc2)no1 1628951498 CFEHEXHKDSCETK-UHFFFAOYSA-N 301.306 3.213 10 10 DGCE C[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)CC12CCCCC2 1634615911 TWBYGERMSVFSGA-AWEZNQCLSA-N 317.429 3.459 10 10 DGCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCCC2CC2)c1 1630235681 GLZNIQILUVKJRI-UHFFFAOYSA-N 310.397 3.437 10 10 DGCE O=C(O)Cc1ccc(NN=NCCc2ccc(F)cc2)cc1 1860489445 NJJMBTOJXJQMHL-UHFFFAOYSA-N 301.321 3.475 10 10 DGCE CCC1=NN(CC(C)C)C(=O)/C1=C/c1ccccc1C(=O)O 1865673912 DYQXVFPKXPNMJZ-NTEUORMPSA-N 300.358 3.032 10 10 DGCE Nc1ccc(NC(=O)c2ccc(NC(=O)C(F)(F)F)cc2)cc1 1866037211 LZEMMBOJIMRKHF-UHFFFAOYSA-N 323.274 3.022 10 10 DGCE CN[C@@H](c1ccccc1O)[C@@H](NC(=O)OC(C)(C)C)C1CCC1 1936969342 YAHQGKVIPUIPBV-HOTGVXAUSA-N 320.433 3.346 10 10 DGCE CCC1(F)CN(c2ccc([C@H](C)O)cc2Br)C1 1944791082 RHZZCUDREJXMHI-VIFPVBQESA-N 302.187 3.441 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]2CCC[C@@H]2N1CCN=[N+]=[N-] 1962301792 WTGVSEWWFAXKEK-AVGNSLFASA-N 309.414 3.064 10 10 DGCE COCCNCc1ccc(N(C)[C@H]2CCSC2)c(Cl)c1 163941993 FLWHUGUTUOOKHV-ZDUSSCGKSA-N 314.882 3.018 10 10 DGCE C[C@@H](C(F)F)N(C)c1cc(Br)c(CN)cc1F 2009014974 MRCFDXNEZVKMNT-LURJTMIESA-N 311.145 3.137 10 10 DGCE CN(CC1CC(F)C1)c1ccc(CN)c(Br)c1F 2031659624 FUFWXUBWMUOBPD-UHFFFAOYSA-N 319.193 3.231 10 10 DGCE CN[C@H](C)c1ccc(N2CC3(CN(Cc4ccccc4)C3)C2)cc1 706662213 OBWPYEPUJAUCGH-QGZVFWFLSA-N 321.468 3.289 10 10 DGCE OCc1ccc(N2CCC[C@@H](CF)C2)cc1Br 711522194 PVZQIHPYWGKSIS-JTQLQIEISA-N 302.187 3.127 10 10 DGCE C[C@H](O)c1ccc(N2CCO[C@H](C)CC2)c(Br)c1 720416793 WUOXAGOJFJDEEG-MNOVXSKESA-N 314.223 3.118 10 10 DGCE COc1ccc([C@@H](C)n2nc(C3CCCC3)cc2CN)c(O)c1 2070137984 HTECLKYAJTVBMA-GFCCVEGCSA-N 315.417 3.323 10 10 DGCE CCc1nn(Cc2cc(F)ccc2O)c(C(F)F)c1[N+](=O)[O-] 2079024671 HABPVNNLLGIEQO-UHFFFAOYSA-N 315.251 3.184 10 10 DGCE CCc1nn(-c2ccc(O)c(O)c2)c(Br)c1CC 2079653104 HLUPHOHXYJOUDR-UHFFFAOYSA-N 311.179 3.171 10 10 DGCE COc1ccc([C@@H](C(C)C)n2nc(C)c(CO)c2Cl)c(O)c1 2079971011 AMFJDVNZYUEDKD-OAHLLOKOSA-N 324.808 3.297 10 10 DGCE COc1ccc([C@@H](C(C)C)n2nc(C)c(N)c2Cl)c(O)c1 2079976976 GBAFUJKRJZGRLG-CQSZACIVSA-N 309.797 3.387 10 10 DGCE C[C@H]1OCC[C@@H]1CN(C)Cc1cc(Br)ccc1O 2057470789 YIRDTMMZQRGNLS-GHMZBOCLSA-N 314.223 3.012 10 10 DGCE C[C@H](CNCc1cc(Cl)cc(Cl)c1O)OC(F)F 2076285083 YRWWPCJUIQFWMG-ZCFIWIBFSA-N 300.132 3.416 10 10 DGCE CC[C@H]1CC[C@@H](CNCc2c(O)cccc2Br)O1 2081665556 DDXISPVFCKGIFQ-QWRGUYRKSA-N 314.223 3.202 10 10 DGCE CCCN[C@H](CSc1nccs1)c1csnc1OC 2092420742 YZTLVFCQTUASBU-SNVBAGLBSA-N 315.489 3.441 10 10 DGCE NCc1cc(F)c(N2CC[C@@H](OC(F)(F)F)C2)cc1Cl 2238820593 NTXCVDZJUGUBNY-MRVPVSSYSA-N 312.694 3.053 10 10 DGCE [N-]=[N+]=NC1CN(C(=O)c2scc(Br)c2Cl)C1 2242665065 APYNJCXPUFREQC-UHFFFAOYSA-N 321.587 3.299 10 10 DGCE CSc1ncc(CNC(=O)c2cc(S)ccc2C)s1 2269308918 BFCZYAYJFDCRTI-UHFFFAOYSA-N 310.469 3.392 10 10 DGCE COc1ccc(Br)c(CNC2[C@H](C)C[C@H]2C)c1O 2317049914 DUACDZAPYILMJL-RKDXNWHRSA-N 314.223 3.297 10 10 DGCE CC(C)CN1N=C(C(F)(F)F)C(=Cc2ccc(O)cc2)C1=O 2332099731 ZBAPTUCHUWRSSC-UHFFFAOYSA-N 312.291 3.192 10 10 DGCE C[C@@H](C(=O)Nc1ccc(N)cc1)[S@](=O)c1cccc(Cl)c1 54186085 AZYIEOGKCDTSJP-CHNSCGDPSA-N 322.817 3.057 10 10 DGCE CCCN(c1ccc(N)cc1)S(=O)(=O)c1cccc(F)c1 63115493 UELSXLQLYBDXHB-UHFFFAOYSA-N 308.378 3.013 10 10 DGCE CCN(CC)c1ccc([C@@H]2NC(=O)CN2Cc2ccccc2)cc1 112370426 BZEDIFFKYYPGDM-HXUWFJFHSA-N 323.440 3.163 10 10 DGCE C[C@H](N[C@H]1CCN(Cc2ccccc2)C1)c1cc(O)ccc1O 302872355 PQYAXRBVJFPURD-HOCLYGCPSA-N 312.413 3.023 10 10 DGCE CCN(CC)C(=O)C1CCN(Cc2c(O)cccc2Cl)CC1 120726492 JFPWBWSDRBVQQX-UHFFFAOYSA-N 324.852 3.126 10 10 DGCE Nc1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1 36302205 YZJCJRVYHFVTQP-UHFFFAOYSA-N 302.202 3.217 10 10 DGCE Cc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1cc(Cl)ccc1O 186096295 BTJOHTFTLXWKGC-RNCFNFMXSA-N 306.797 3.131 10 10 DGCE COc1cc(Cl)cc(CN2CCC[C@@H]([C@H]3CCCN3)C2)c1O 317627344 OAYMUZXSASFFKV-IUODEOHRSA-N 324.852 3.018 10 10 DGCE Cc1ccc(O)c([C@@H]2CC(=O)CCN2C(=O)OC(C)(C)C)c1 1952058921 HBZDQLHEARDWRZ-AWEZNQCLSA-N 305.374 3.342 10 10 DGCE C[C@H](N[C@H](C)c1ccccc1O)c1ccc(-n2ccnn2)cc1 183630285 YIDBSYFPQVULLE-UONOGXRCSA-N 308.385 3.385 10 10 DGCE CN1CCc2cc([C@@H]3Nc4ccccc4C(=O)N3C3CC3)ccc21 130148062 CVNZBCRECJQELN-LJQANCHMSA-N 319.408 3.408 10 10 DGCE CN[C@H](CSc1nccs1)c1ccc2c(c1)OCCCO2 81889195 JYOJSPHDOPMPQI-GFCCVEGCSA-N 322.455 3.357 10 10 DGCE CN(Cc1ccccc1O)C(=O)/C=C\c1ccnc(Cl)c1 255371711 QEISNCHYDVVQFA-SREVYHEPSA-N 302.761 3.112 10 10 DGCE CC(C)[C@H]1C[C@H]1C(=O)NCc1cccc(Br)c1O 277584482 RUICBIMWMRPJMD-GHMZBOCLSA-N 312.207 3.063 10 10 DGCE CN[C@H](c1ccc(N(C)C)cc1)[C@H](O)c1cc(Cl)cs1 2163132380 BCUIUJKJSKMEMB-HUUCEWRRSA-N 310.850 3.462 10 10 DGCE CC(=O)C(=O)COC(=O)c1cc(-c2ccc(F)cc2)c(C)s1 808526485 QTKKCWZXWCADGR-UHFFFAOYSA-N 320.341 3.178 10 10 DGCE O=[N+]([O-])c1ccc(NCc2cc(Br)ccc2O)nc1 804828563 ROLWYOIZEKAIBL-UHFFFAOYSA-N 324.134 3.070 10 10 DGCE CSc1cnc(NCc2ccc3c(c2)CCCN3C)nc1 804392545 OXBKGKWTOROLJD-UHFFFAOYSA-N 300.431 3.193 10 10 DGCE C[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@@](C)(C(F)F)O1 827962092 FSCPUMZUXPYIBU-ZBEGNZNMSA-N 316.367 3.136 10 10 DGCE CCOc1cccc(CN2C[C@H](C)O[C@](C)(C(F)F)C2)c1O 827962999 XRAKHRXBNBADEU-ZBEGNZNMSA-N 315.360 3.035 10 10 DGCE Cc1cc(O)c(CN2CCOC[C@H]2CC(F)F)cc1Cl 825893312 VRZCRSPIMQECTL-LLVKDONJSA-N 305.752 3.210 10 10 DGCE CC1(C)CN(C(=O)/C=C/c2cnccn2)c2ccccc2S1 492073696 OXGWWZRDISZHEZ-BQYQJAHWSA-N 311.410 3.407 10 10 DGCE CSc1cccnc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 844484832 IMQMNVBXOMALMO-GFCCVEGCSA-N 315.442 3.361 10 10 DGCE COc1ccc(CNC[C@@H](O)c2cccc(Cl)c2)cc1C 918197927 PKYKDBYITUBGEP-MRXNPFEDSA-N 305.805 3.480 10 10 DGCE Cc1ccc(CC[C@@H](C)NC(=O)NCc2c(O)cccc2F)o1 920625195 KDXPIWPBEDXVAL-LLVKDONJSA-N 320.364 3.253 10 10 DGCE CC(C)(C)c1ccc2c(c1)CCN2C(=O)/C=C\c1cnccn1 749805051 MJXDCFGTJMAWNA-ALCCZGGFSA-N 307.397 3.377 10 10 DGCE COc1ccc(O)c(CNC[C@H]2CSc3ccccc3O2)c1 843418735 XQJRQRLNSLBTJW-AWEZNQCLSA-N 317.410 3.044 10 10 DGCE COc1cccc([C@@H](C)NC2CCC(C)(N3CCC3)CC2)c1O 927039301 UIUSMYPQAHTDKK-TZGCNFNXSA-N 318.461 3.458 10 10 DGCE CN(C)c1ccc(/C=C/CNc2ccc3c(c2)CCNC3=O)cc1 850346110 BEPDETXYAIWVIX-ONEGZZNKSA-N 321.424 3.164 10 10 DGCE Nc1ccc(C[C@@H](O)Cc2cc(F)cc(Br)c2)cc1 696581221 AILZEQCVQMYXAY-OAHLLOKOSA-N 324.193 3.317 10 10 DGCE Cc1[nH]nc(C(C)C)c1C(=O)NCc1ccc2cccnc2c1O 862026995 GLOMJBSVUPWKAM-UHFFFAOYSA-N 324.384 3.025 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CC3CCC2CC3)c1 769189160 SZZCQVSLBBOIRF-NEQJSVFRSA-N 318.417 3.340 10 10 DGCE CCOC(=O)c1cc(CN[C@H](CC)c2ccc(C)cc2O)on1 866515523 JKHBJNCXVCLKJR-CQSZACIVSA-N 318.373 3.106 10 10 DGCE C[C@@H](NCc1ccc2oc(O)nc2c1)c1ccc(N(C)C)cc1 872123655 SVQYBNJBUUTODE-GFCCVEGCSA-N 311.385 3.450 10 10 DGCE CCOC[C@H](C)N[C@H](C)c1cc(Br)c(F)cc1O 779075288 XPYHOLQMOVCGAA-DTWKUNHWSA-N 320.202 3.369 10 10 DGCE COc1ccc(NCc2cc(C)cc(Br)c2O)nc1 781560326 ZJXUZYDPYCHPMR-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE COc1cc(C)cc(NC(=O)NCc2ccccc2O)c1C 786138822 ALLPJTPDPKJRGD-UHFFFAOYSA-N 300.358 3.339 10 10 DGCE CC[C@H]1CCc2nc(NC(=O)c3cccc(O)c3O)sc2C1 1136323611 HYTWAAPVLWRESS-VIFPVBQESA-N 318.398 3.322 10 10 DGCE Cc1cccc(CNCc2cnn(Cc3ccccc3)c2)c1O 390390968 JGUKSWJVECPALE-UHFFFAOYSA-N 307.397 3.235 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCc1ccccc1O 277922977 QCHNIMZGXFETEJ-HIFRSBDPSA-N 320.433 3.127 10 10 DGCE CCO[C@@H]1CCN([C@@H](C)c2cc(Br)ccc2O)C1 701662174 SRHCTZLOJGFXGW-CMPLNLGQSA-N 314.223 3.327 10 10 DGCE CC[C@H](N[C@H](CC(=O)NC)c1ccccc1)c1ccccc1O 795849700 QCSJXJNRQWSBJS-DLBZAZTESA-N 312.413 3.310 10 10 DGCE C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1c(O)ccc2ccccc12 1304090078 XILKWSJLWZRTEL-ZIAGYGMSSA-N 312.413 3.034 10 10 DGCE COc1ccc(CNC(=O)NC[C@@H]2C[C@@H]2C2CCCC2)c(O)c1 1256435444 FVSLAOYOLZMWCM-GOEBONIOSA-N 318.417 3.026 10 10 DGCE CCN(CCNCc1ccc(OC)c(C)c1)C(=O)C1(C)CCC1 1268472041 XJTBQSYIEAUYMA-UHFFFAOYSA-N 318.461 3.132 10 10 DGCE [N-]=[N+]=N[C@H]1CCN(C(=O)Nc2ccc(Br)cc2)C1 1912153663 CVVSMEYITOPSOJ-JTQLQIEISA-N 310.155 3.366 10 10 DGCE CN[C@H](C)c1ccc(N2CC(F)(F)C2)c(Br)c1 1916991465 LQZSNLFBDCIRBO-MRVPVSSYSA-N 305.166 3.185 10 10 DGCE CCCCN(C)c1ccc(CNCCCOC)cc1OCC 212002082 JKLQERSDBBVOQW-UHFFFAOYSA-N 308.466 3.448 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)/C(C)=C\c2cccnc2)c1 1465992802 MUDFQXKTTYHIHS-KIWPFMIBSA-N 312.369 3.077 10 10 DGCE O=C(NCc1ccc(O)cc1O)c1cccc(-c2ccoc2)c1 1638352902 WPOOXWNAGHSFGH-UHFFFAOYSA-N 309.321 3.288 10 10 DGCE COc1ccc(CNC[C@H](CC(C)C)NC(=O)C(C)C)cc1C 1568325013 BOZCLEACPNNMNZ-KRWDZBQOSA-N 320.477 3.280 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CCCC[C@]23CCOC3)c1O 1560233164 SVLBEPFLFXJSLA-QGZVFWFLSA-N 323.820 3.393 10 10 DGCE CC(C)c1ncc(C(=O)NCc2c(O)ccc3ccccc23)[nH]1 1635965382 XSDLHGDVVCEFNX-UHFFFAOYSA-N 309.369 3.322 10 10 DGCE CC[C@H](CC[C@@H](N)c1ccccc1O)NC(=O)OC(C)(C)C 1928467374 JWUGKUUSTDTLCZ-TZMCWYRMSA-N 308.422 3.476 10 10 DGCE O=C(NCc1cccc(Cl)c1O)[C@H](F)Cc1ccccc1 1648606427 QLSIEWGDXCXDDY-CQSZACIVSA-N 307.752 3.243 10 10 DGCE C[C@H](NC(=O)c1cn(C)nc1-c1ccccc1)c1ccccc1O 1648892230 RNDPQBLYOPJBPO-ZDUSSCGKSA-N 321.380 3.284 10 10 DGCE CCOc1ccc(N(CC2CC2)C[C@@H]2C[C@H]3COC[C@@H]3O2)cc1 1654518158 HXPGHTSCZZVPJW-SNRMKQJTSA-N 317.429 3.106 10 10 DGCE CCCCC[C@@H](O)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1587551962 JLGBPXBPHMAWJQ-GOSISDBHSA-N 318.461 3.186 10 10 DGCE CC(C)(C)OC(=O)NC[C@H]1CCN(CCCN=[N+]=[N-])C1(C)C 1962288337 VAWWLZBVEMUDID-GFCCVEGCSA-N 311.430 3.312 10 10 DGCE Cc1cccc(NC(=O)CNCc2cc(Cl)ccc2O)c1C 1857857791 HZFVQCCBZZNJME-UHFFFAOYSA-N 318.804 3.391 10 10 DGCE Oc1c(Br)cccc1CNc1cnc(Cl)cn1 1963623892 FXHJPRPFBLVZMI-UHFFFAOYSA-N 314.570 3.210 10 10 DGCE COc1cc(NC(=O)OC(C)(C)C)cc([C@H](CO)N=[N+]=[N-])c1 1951378550 YVSWYMQDACFJBI-LBPRGKRZSA-N 308.338 3.386 10 10 DGCE Cc1cccc(O)c1CN[C@@H](CNC(=O)OC(C)(C)C)C1CC1 1976875873 PZLUFBVOAXOXPB-HNNXBMFYSA-N 320.433 3.094 10 10 DGCE Nc1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1 36283942 DSWRTMGSMCHGAF-UHFFFAOYSA-N 317.197 3.376 10 10 DGCE CC(C)[C@@H]1C[C@@]1(NC(=O)OC(C)(C)C)[C@H](N)c1ccccc1O 1992236478 ZFGPZQHFPVBEIK-JOQOYGCGSA-N 320.433 3.331 10 10 DGCE CO[C@@H](C)CCN(C)Cc1cc(Br)ccc1O 2009688599 CGMAJNLLZQYRPF-JTQLQIEISA-N 302.212 3.012 10 10 DGCE Cc1cc([C@H](NN)c2ccccc2O)ccc1Br 2029556055 ORFRDNJGEUKZDB-AWEZNQCLSA-N 307.191 3.016 10 10 DGCE Cc1cc(Br)ccc1[C@@H](NN)c1ccccc1O 2029543320 IAUDKCUOJQQHMB-CQSZACIVSA-N 307.191 3.016 10 10 DGCE CN(Cc1ncoc1C(F)F)c1ccc(CO)c(Cl)c1 2160362959 DOXSOOLGQMGHOZ-UHFFFAOYSA-N 302.708 3.394 10 10 DGCE Cc1cc(CN)ccc1N1CCN(Cc2ccccc2)C[C@H](C)C1 324071217 XVNHNDLHTNSAGR-KRWDZBQOSA-N 323.484 3.412 10 10 DGCE CO[C@H]1C[C@H](N(C)c2cc(Cl)c(CN)cc2F)C1(C)C 2177384995 GTHLRCSMWZUZGI-KBPBESRZSA-N 300.805 3.188 10 10 DGCE Cc1nn(Cc2cc(C(F)(F)F)ccc2O)c(N)c1C(F)F 2079683858 WHQLJSTYHANZPM-UHFFFAOYSA-N 321.249 3.484 10 10 DGCE Oc1cc(-c2nc(-c3cscc3Cl)no2)cc(O)c1O 2188922301 GTNOTZRTAKYIPX-UHFFFAOYSA-N 310.718 3.235 10 10 DGCE OCc1ccc(N2[C@H]3CC[C@@H]2C[C@H](F)C3)c(Br)c1 2072027215 HPVQTIWHCZOUEM-ZSBIGDGJSA-N 314.198 3.411 10 10 DGCE CN1CCc2cc([C@@H](N)c3ccc(Br)cc3)ccc21 2098452894 LVTWQCOGEMNEQB-INIZCTEOSA-N 317.230 3.490 10 10 DGCE Cc1cc(F)c(Br)cc1C(=O)N1CC(N=[N+]=[N-])C1 2258077895 CAQIPVFTGHLJAK-UHFFFAOYSA-N 313.130 3.031 10 10 DGCE CC(F)(F)c1cnc(Sc2ncc(CCC(=O)O)[nH]2)s1 2279180890 KKKUUEKXWLSMNC-UHFFFAOYSA-N 319.358 3.146 10 10 DGCE O=C1C(=Cc2cccc(F)c2)SC(=S)N1C[C@H]1CCCO1 2323744745 BJJPAXMMXXTKMA-GFCCVEGCSA-N 323.414 3.206 10 10 DGCE COc1ccc(N(CC(=O)N(C)CC2CC2)[C@H](C)C2CC2)cc1 111236592 FUJFNYNVCBDDHU-CQSZACIVSA-N 316.445 3.169 10 10 DGCE C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N(C)Cc1ccccc1O 111900048 DDUXXXFPXFBJQY-FZKQIMNGSA-N 310.397 3.467 10 10 DGCE CN(Cc1cc2c(cc1O)CCC2)[C@@H]1CCCc2c1cnn2C 178612731 UJJUFOYAVVBJGD-QGZVFWFLSA-N 311.429 3.124 10 10 DGCE Cc1nn(C)c(C)c1[C@@H]1CCCN1Cc1cc(F)ccc1O 180119882 PZIIIZJLGKPFHN-HNNXBMFYSA-N 303.381 3.219 10 10 DGCE CCc1nccn1[C@H]1CCCN(Cc2cc(F)ccc2O)C1 180120408 LDYNGTXGDTWPBM-HNNXBMFYSA-N 303.381 3.127 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@@H]2CCN(CC3CCCC3)C2)c1 185595038 XNKKVKHSKIAAIL-GOEBONIOSA-N 318.461 3.316 10 10 DGCE Nc1ccc(OCC(=O)OCc2ccc(F)cc2Cl)cc1 41093673 CPWASPFWRIRZQN-UHFFFAOYSA-N 309.724 3.184 10 10 DGCE C[C@H](CCNCc1ccc(O)cc1O)N(C)Cc1ccccc1 379646545 FMLGAEOTRYQBDB-OAHLLOKOSA-N 314.429 3.098 10 10 DGCE COc1cccc2cc3c(c(O)c12)C(=O)c1ccccc1C3=O 196328061 XEYIMALWYNDYKB-UHFFFAOYSA-N 304.301 3.329 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H]1CNCc1cc(F)ccc1O 226609894 FFDZGIDUGYRMPD-AWEZNQCLSA-N 324.396 3.020 10 10 DGCE C[C@@H]1CC[C@@H]1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 807555439 ARJCSUPWZGRDCB-DYVFJYSZSA-N 301.434 3.225 10 10 DGCE COc1cc(Br)cc(CN2C[C@@H](C)[C@@H]2C)c1O 816648602 MQFAVBZKJROALB-BDAKNGLRSA-N 300.196 3.004 10 10 DGCE CCCCC[C@@H](c1c(O)cc(OC)cc1OC)N1CCOCC1 575306341 JCKQZXSYWJLTBI-HNNXBMFYSA-N 323.433 3.363 10 10 DGCE C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@H]1CC(=O)O 722659284 BDPSQXNBVVIVRF-DTWKUNHWSA-N 318.200 3.242 10 10 DGCE CN1CCN(c2ccc(CNC(C)(C)C3CCC3)cc2)CC1 824886608 FXFFWSXKGTVEEW-UHFFFAOYSA-N 301.478 3.107 10 10 DGCE CCC[C@H](c1ccc(N(CC)CC)cc1O)N1CCOCC1 575293810 ARQGSSVZAZIURX-QGZVFWFLSA-N 306.450 3.412 10 10 DGCE FC1(F)CCNC[C@H]1CNCc1ccc(N2CCCCC2)cc1 903955412 RGYFAZVRXORWEJ-INIZCTEOSA-N 323.431 3.011 10 10 DGCE CCOc1ccc(O)c(CN(C)C[C@](C)(O)c2ccccc2)c1 822515412 ANTDZURROHPHGJ-IBGZPJMESA-N 315.413 3.130 10 10 DGCE Cc1ccccc1[C@@H](O)CNC/C=C\c1ccc(N(C)C)cc1 835038477 ATZGVWGCRGRSCS-LZVBJTEYSA-N 310.441 3.397 10 10 DGCE NCc1ccc2c(c1)CCCN2Cc1cc(-c2ccccc2)n[nH]1 843057340 CIRPMOJRAGMPEF-UHFFFAOYSA-N 318.424 3.488 10 10 DGCE Oc1cc2c(cc1CN1CCC(N3CCCCC3)CC1)CCC2 749663548 WXDFNDUBOMWTSP-UHFFFAOYSA-N 314.473 3.331 10 10 DGCE O=C(O)[C@H](NCc1c(O)ccc(Cl)c1F)c1cccs1 756336857 BAQBLKFPMCQPEW-GFCCVEGCSA-N 315.753 3.162 10 10 DGCE CC/C=C(/F)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 866900149 UFYZFFHZITXQQI-SMCAMXITSA-N 307.365 3.163 10 10 DGCE CC[C@H]1C[C@H](CN(C)c2ccc(OCCN(C)C)cc2)CCO1 761222679 LHTFZXZEVSESIV-AEFFLSMTSA-N 320.477 3.268 10 10 DGCE COCC[C@H](NC(=O)N[C@@H](C)c1ccccc1O)c1ccco1 868486991 NRKKZAQMSMAFHB-JSGCOSHPSA-N 318.373 3.123 10 10 DGCE CN(C)c1cc(F)c(CN2CC[C@@H](c3ccccn3)C2)cc1F 862353808 AREALQKRLGIMKS-CYBMUJFWSA-N 317.383 3.415 10 10 DGCE COc1ccc2c(c1)NC1(CCC(C)CC1)CN2[C@H](C)CN 76931198 JBCXHIPJKWTHLR-TXKKKEFDSA-N 303.450 3.223 10 10 DGCE Oc1ccc(F)cc1CNCc1ccn(Cc2ccccc2)n1 389949119 VZKCMBCZFPLMLU-UHFFFAOYSA-N 311.360 3.066 10 10 DGCE C[C@H]1C[C@H](NCc2cc(F)ccc2O)CN1Cc1ccccc1 398031106 NLYUMYJYOPMWFR-KSSFIOAISA-N 314.404 3.284 10 10 DGCE Cc1nc(Cl)c(Cl)cc1C(=O)NCc1ccc(N)cc1 702056564 ICZFSLKGDCMNQZ-UHFFFAOYSA-N 310.184 3.209 10 10 DGCE CCCN[C@]1(CO)CCC[C@@H]1CCSc1nccs1 93623195 YTZRENNGYXXIKI-OCCSQVGLSA-N 300.493 3.156 10 10 DGCE O=C(NCc1cccc(C(F)F)c1)NCc1c(O)cccc1F 1312502735 NKXMGAWVZZJBCR-UHFFFAOYSA-N 324.302 3.468 10 10 DGCE O=C(CCSc1ccccc1F)NCc1ccc(O)cc1O 1162271961 WXUKSWWYSHKJAA-UHFFFAOYSA-N 321.373 3.036 10 10 DGCE C[C@H](NC(=O)NC1C[C@@H]2[C@@H](C1)C2(F)F)c1ccc(N(C)C)cc1 1327534750 GJOPRZNOHPPCJM-COLVAYQJSA-N 323.387 3.157 10 10 DGCE C[C@@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)CC(F)F 1329236342 KJYSBHURQWBSKD-CYBMUJFWSA-N 323.387 3.153 10 10 DGCE C[C@@H](CC(=O)NCc1ccc(N(C)C)c(F)c1)C(F)(F)F 1329211286 VFVPYKHNGXGDRD-VIFPVBQESA-N 306.303 3.096 10 10 DGCE CCN(CCN=[N+]=[N-])C(=O)c1ccc(Br)s1 1900612171 DTEHMQCACLOYDP-UHFFFAOYSA-N 303.185 3.283 10 10 DGCE CN[C@@H](C)c1ccc(N(Cc2ccccc2)C[C@H](C)O)cc1O 1914606733 BMCFSORYNBQATN-GJZGRUSLSA-N 314.429 3.060 10 10 DGCE O=C(O)C=Cc1ccc(N2C[C@H]3CC[C@@H]3C2)c(Br)c1 1912132987 VVVMPSGBELJAIZ-VXGBXAGGSA-N 322.202 3.393 10 10 DGCE COc1ccc(Br)c(CN2CC[C@H](N=[N+]=[N-])C2)c1 1912154437 MFJYBDCJMPWWSZ-JTQLQIEISA-N 311.183 3.342 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)c2ccc(Br)s2)C1 1912210585 LJXPAZBJRRJPRE-ZETCQYMHSA-N 315.196 3.283 10 10 DGCE CSc1cccc(N(C)C(=O)Cc2ccc(O)c(O)c2)c1 1442876730 ZZNRXNXHTMTVEX-UHFFFAOYSA-N 303.383 3.025 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H]1c1cccs1 1440365623 ASHGIUUGJPEDDQ-GFCCVEGCSA-N 303.383 3.066 10 10 DGCE O=C(NCc1cccc(O)c1O)c1cc(Cl)ccc1Cl 1455318240 MSIJZELZDZHIHX-UHFFFAOYSA-N 312.152 3.335 10 10 DGCE Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)c1ccccc1O 1635799041 MZKPDVKCOYNLMF-GFCCVEGCSA-N 314.341 3.408 10 10 DGCE C/C(=C/C(=O)NCc1ccc(O)cc1O)c1ccccc1Cl 1639444475 MXYGCIDOXGIODX-FLIBITNWSA-N 317.772 3.471 10 10 DGCE COc1ccc(N(C)CC(=O)NCCC2CCCCC2)cc1F 1653679800 BTFBKFUBHASTIR-UHFFFAOYSA-N 322.424 3.357 10 10 DGCE C[C@H](O)c1ccc(N2C[C@H](C)[C@H](F)C2)c(Br)c1 1947312717 JFWUHVBOTCKBMU-HOTUBEGUSA-N 302.187 3.297 10 10 DGCE CC1(C)[C@@H](CNCc2cc(Cl)cc(Cl)c2O)C[C@H]1O 1966075197 VCFAJLZIDQKPDQ-BXKDBHETSA-N 304.217 3.196 10 10 DGCE Oc1c(Br)cccc1CN1C[C@H]2CC[C@@](F)(C2)C1 1974353908 KSIFECVAUYLXAD-IINYFYTJSA-N 314.198 3.479 10 10 DGCE CCCNCc1ccc(N2C[C@H](OC)[C@H](F)C2)cc1Cl 2146478530 LUXGZXAHPBIKQZ-CABCVRRESA-N 300.805 3.013 10 10 DGCE Cc1sc(Br)nc1CN1CCC(N=[N+]=[N-])CC1 2004969070 HRNDBMCSNQUAJP-UHFFFAOYSA-N 316.228 3.489 10 10 DGCE C[C@H]1C[C@@H](F)CN1Cc1cc(Br)cc(F)c1O 1997690130 YOLSUBWJCZAIFX-OIBJUYFYSA-N 306.150 3.226 10 10 DGCE Nc1ccc(O)c(CN2CC3(CC(OCc4ccccc4)C3)C2)c1 2000818136 NWOIHYFBHWYRKN-UHFFFAOYSA-N 324.424 3.156 10 10 DGCE CN(Cc1ccccc1)[C@@H]1CCN(c2ccc3c(c2)CC[C@H]3O)C1 2012704682 FFJOEECDBJVBGK-TZIWHRDSSA-N 322.452 3.377 10 10 DGCE CCN(C[C@]1(Br)CC1(F)F)c1ccc(N)cc1 2023771791 BJJIFEWLOYNJHZ-LLVKDONJSA-N 305.166 3.268 10 10 DGCE N[C@@H](c1ccccc1O)c1cc(F)c(F)cc1Br 2029558948 MVNFGCCWGMVVBV-ZDUSSCGKSA-N 314.129 3.481 10 10 DGCE C[C@H]1CCO[C@H](C)CN1Cc1cccc(Br)c1O 2031606619 HVUJCSFMWFTXAH-WDEREUQCSA-N 314.223 3.154 10 10 DGCE CN(C[C@H]1C[C@@H]2C[C@@H]2C1)c1ccc(CO)cc1Br 697845767 SPJRGPMYCQBNLE-CLLJXQQHSA-N 310.235 3.424 10 10 DGCE C[C@H](N)c1ccc(N2CCO[C@H](C)CC2)cc1Br 720430655 GIXNJBATQVCTSX-MNOVXSKESA-N 313.239 3.084 10 10 DGCE CNCc1cc(CC(C)C)nn1[C@@H](C)c1ccc(C)cc1O 2070057217 CHKSNILYIOIDOX-AWEZNQCLSA-N 301.434 3.424 10 10 DGCE COc1ccc(Br)c(CN2CCC(F)(F)C2)c1O 1231548748 ZHUDMROECSJYDI-UHFFFAOYSA-N 322.149 3.004 10 10 DGCE C[C@H](O)c1ccc(N2CC[C@@H](c3nncs3)C2)cc1Cl 2196553354 CAZVCYPKUJZFGI-VHSXEESVSA-N 309.822 3.239 10 10 DGCE CN(C)c1ccc(CN[C@H]2CS[C@H](C(F)(F)F)C2)cc1 2189245084 JXVLOMQPDWBARS-YPMHNXCESA-N 304.381 3.279 10 10 DGCE CNCc1ccc(N2CCC[C@@H]2[C@H](C)F)cc1Br 2060892136 AVZDWGUPCHZLEH-IINYFYTJSA-N 315.230 3.495 10 10 DGCE CN(CC[C@H]1CC1(F)F)c1ccc(CN)c(Br)c1 2075411862 ASFMGISQQJFJBN-JTQLQIEISA-N 319.193 3.389 10 10 DGCE Cc1cc(CCNCc2ccc(Br)cc2O)ccn1 2091811458 BAZINVYDTVAQGF-UHFFFAOYSA-N 321.218 3.190 10 10 DGCE CN[C@H]1CCc2cc(N(C)C3CSCCSC3)ccc21 2237077847 FLTAEURKZCLXTP-INIZCTEOSA-N 308.516 3.178 10 10 DGCE O=C(O)[C@]1(F)CCCN(Cc2cc(Cl)cc(Cl)c2O)C1 2280520154 HHMVOSOPBXAHLQ-ZDUSSCGKSA-N 322.163 3.088 10 10 DGCE CC(C)CCOC(=O)C=Cc1ccc(N2CCOCC2)cc1 2297507139 BQBNFJPLFBJLKW-UHFFFAOYSA-N 303.402 3.126 10 10 DGCE Cc1ccc(N2NC(=O)C(=Cc3ccccc3)C2=O)cc1Cl 2297578172 VANLVOIILQHUNN-UHFFFAOYSA-N 312.756 3.110 10 10 DGCE C[C@H](C(=O)O)N(Cc1ccccc1)Cc1ccc2c(c1)CCN2C 2302866544 YPOZRUIHDDMIIW-OAHLLOKOSA-N 324.424 3.154 10 10 DGCE CCC(=O)[C@H](C)N(C)Cc1ccc(C)c(Br)c1O 2327613845 YOXSXRSGACPNMI-JTQLQIEISA-N 314.223 3.263 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1C[C@@H]2[C@H]3CC[C@H](O3)[C@H]21 2356935081 TZOVNHAIEUYQIC-JTDRMQGGSA-N 314.212 3.355 10 10 DGCE COC[C@H](C)NC(=O)c1cc(C)n(-c2ccccc2C)c1C 68968530 KKMWVPLVNYNNTI-ZDUSSCGKSA-N 300.402 3.167 10 10 DGCE CCCN(Cc1ccc(N)cc1)c1nc(OC)ncc1Cl 125996420 ARVNNKUMESEMMN-UHFFFAOYSA-N 306.797 3.137 10 10 DGCE COc1cccc([C@H]2CN(Cc3cc(F)ccc3O)CCO2)c1 180072329 OMPUVMUVICFVIS-GOSISDBHSA-N 317.360 3.113 10 10 DGCE COc1ccc(NCc2cc(Cl)cc(OC)c2O)cc1O 229050822 VOZFUZXWQFBXDR-UHFFFAOYSA-N 309.749 3.381 10 10 DGCE CO[C@H](C)CN(C)[C@H](C)c1cc(Br)ccc1O 379926935 SQHINJSCULZWPX-NXEZZACHSA-N 302.212 3.182 10 10 DGCE COC[C@H](OC(=O)c1cc(C)n(-c2ccccn2)c1C)C1CC1 131760518 MXOHZBKJIMHRAE-INIZCTEOSA-N 314.385 3.071 10 10 DGCE Cc1ccc(O)c(CNCCN(C(=O)OC(C)(C)C)C(C)C)c1 227654097 CVEFRFZKSYHLLZ-UHFFFAOYSA-N 322.449 3.436 10 10 DGCE COc1ccc(CN2CCCC[C@@H]2c2cccn2C)c(O)c1 93845580 VMGIPJTWWAVKIL-QGZVFWFLSA-N 300.402 3.467 10 10 DGCE CCN1CCc2cc([C@H](N)[C@@H]3SCCS[C@H]3C)ccc21 2163073350 ICPMCWPVSTYIGZ-KNXALSJPSA-N 308.516 3.306 10 10 DGCE FC(F)[C@H]1CCCCN1Cc1ccc(N2CCOCC2)cc1 800533159 IRKNAKQDIPAAHE-MRXNPFEDSA-N 310.388 3.143 10 10 DGCE COc1ccc(N2CC[C@H](NCc3cccc(C)c3O)C2)cc1 826846166 QHZRQBVDYLYXDT-INIZCTEOSA-N 312.413 3.078 10 10 DGCE CN[C@H](c1ccccc1O)[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C 1894562038 URYFKDAJPGRCDF-XPKDYRNWSA-N 320.433 3.346 10 10 DGCE CN(Cc1ccccc1O)C(=O)c1ccc(NC2=NCCC2)cc1 901055277 MRSSPVOHXONKTJ-UHFFFAOYSA-N 323.396 3.269 10 10 DGCE CN(C)CCC1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 835027413 LXWSTTWNOKMYSZ-WAYWQWQTSA-N 315.505 3.430 10 10 DGCE C[C@H](N[C@H]1CCOC1(C)C)c1cc(Br)ccc1O 834875042 KMMGERBPEKWNDJ-ZANVPECISA-N 314.223 3.373 10 10 DGCE CCC[C@@H](C)[C@@H](CO)NCc1cc(Cl)cc(C(C)=O)c1O 844378712 LUZQAJNOBXRZQM-MEBBXXQBSA-N 313.825 3.135 10 10 DGCE CC[C@H](C[C@@](C)(O)CC)N[C@@H]1CCN(c2ccc(OC)cc2)C1 926680258 LGGXNFSDSSFFTQ-MDZRGWNJSA-N 320.477 3.193 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)c2ccc(F)s2)cc1 855020065 FMEAGCBKXMOOPT-UHFFFAOYSA-N 322.405 3.104 10 10 DGCE COc1ccc2c(c1)CCCN2C(=O)/C=C/c1ccc(C)nc1 754061647 MGWGQKFGSAZBIB-JXMROGBWSA-N 308.381 3.391 10 10 DGCE CC(C)[C@@H]1COCC[C@@H]1NCc1ccc(N2CCCC2)cc1 924650388 XWRYRZKGDYZICH-OALUTQOASA-N 302.462 3.438 10 10 DGCE CC[C@@H](NCC[S@](=O)CC(F)(F)F)c1ccc(C)cc1O 850496040 MKUBLIKZUQCLGW-GTJPDFRWSA-N 323.380 3.052 10 10 DGCE Cc1ccn(-c2ccccc2NC(=O)NCc2ccccc2O)n1 759523354 RMUZQTQGNDLOAF-UHFFFAOYSA-N 322.368 3.208 10 10 DGCE COc1ccc(N(C)CCN(C)Cc2ccnc(F)c2C)cc1 862403747 WJEALGSZHZIQKF-UHFFFAOYSA-N 317.408 3.106 10 10 DGCE C[C@H](NC1CCC(C)(N(C)C)CC1)c1cc([N+](=O)[O-])ccc1O 866517831 OMRHILKVYXZGDF-POZPTJLLSA-N 321.421 3.214 10 10 DGCE Cc1ccc(N(CC2CC2)C(=O)/C=C/c2cnccn2)cc1F 863600700 SRTAUJNXTYLOJT-FNORWQNLSA-N 311.360 3.381 10 10 DGCE Cn1cc(C(F)F)c(CNCc2ccc(N3CCCC3)cc2)n1 1118927680 BMDPXDATCHLICQ-UHFFFAOYSA-N 320.387 3.248 10 10 DGCE C[C@H](CC(C)(C)C)C(=O)NCc1ccc(N2CCOCC2)cc1 772348108 BIWGQQUPMJRWJV-OAHLLOKOSA-N 318.461 3.212 10 10 DGCE Cc1cc(CNCc2ccc(Br)cc2O)ccn1 691501969 RSPMWULIJFNNEA-UHFFFAOYSA-N 307.191 3.148 10 10 DGCE CC(C)COc1ccc(C(=O)NCc2cc(O)ccc2O)cc1 1176747821 BTIAIZJKUWQEFB-UHFFFAOYSA-N 315.369 3.063 10 10 DGCE COc1ccc(CN[C@@H](C)CCNC(=O)C(C)(C)C)cc1C 1317412653 NUKSRDCXAVBXMS-AWEZNQCLSA-N 306.450 3.034 10 10 DGCE O=C(NCc1c(O)cccc1O)c1ccsc1C(F)(F)F 1178917229 MIOBWFSKYHOMBO-UHFFFAOYSA-N 317.288 3.108 10 10 DGCE CN(C)c1ccc(CNC(=O)c2cc(F)c3ncccc3c2)cc1 1353505380 YOUITLRTUJPGPI-UHFFFAOYSA-N 323.371 3.370 10 10 DGCE C[C@@H](CO)N(Cc1ccccc1)c1ccc([C@@H](C)O)cc1F 1914223324 LQCKEYDFZNAMCI-UONOGXRCSA-N 303.377 3.266 10 10 DGCE CC(C)(C)OC(=O)Nc1ccc([C@H](N)C(F)(F)F)c(O)c1 1536004644 IQXDGDNHCGIYRL-JTQLQIEISA-N 306.284 3.301 10 10 DGCE CCn1cc(Cl)cc1C(=O)N[C@@H](C)c1cc(OC)ccc1O 1545684137 LMBBEBYVCBHEGX-JTQLQIEISA-N 322.792 3.367 10 10 DGCE Cc1ccc(O)c([C@H](C)N[C@H]2C[C@@H]2NC(=O)OC(C)(C)C)c1 227556689 WRQXKUFGZYGNOR-UBHSHLNASA-N 306.406 3.017 10 10 DGCE CC/C(C)=C\C(=O)N(C)[C@H](C)CNCc1ccc(OC)c(C)c1 1715336302 SAXWYZRIYYVAMO-SCOADAFUSA-N 318.461 3.296 10 10 DGCE Cc1cc(CN[C@@H]2CCOCC23CCCC3)ccc1N(C)C 1620676963 HOQJYZOJTQVWNO-GOSISDBHSA-N 302.462 3.500 10 10 DGCE C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@@H]1CC2CCC1CC2 1557324075 JMDFIUZWDFCBAY-JZDZYBROSA-N 315.413 3.442 10 10 DGCE COc1ccc(CN[C@H](C)CN(C)C(=O)C2(C)CCC2)cc1C 1725506129 PXWSMKXZNVFVBO-OAHLLOKOSA-N 318.461 3.130 10 10 DGCE COc1ccc(CNCCC[C@H](C)NC(=O)C(C)C)cc1C 1734224189 BFEWHWOHNUNJRT-HNNXBMFYSA-N 306.450 3.034 10 10 DGCE C[C@H](NC(=O)c1cc(Br)co1)c1ccccc1O 1648894905 VVXJDOZBPULOFI-QMMMGPOBSA-N 310.147 3.239 10 10 DGCE CN[C@@H](CN(C(=O)OC(C)(C)C)C1CC1)c1ccccc1O 1928469512 ITGYFMYNEAJJGD-AWEZNQCLSA-N 306.406 3.052 10 10 DGCE CCOc1ccc(N2CCN(CC3C[C@H]4C[C@@H]4C3)CC2)cc1 1653841227 XOHJRPLEAGSBRE-IRXDYDNUSA-N 300.446 3.253 10 10 DGCE C[C@H](NCc1ccc2c(c1)CCO2)c1cn(-c2ccccc2)nn1 150915431 SKWZLXZKXGMLIP-AWEZNQCLSA-N 320.396 3.053 10 10 DGCE C[C@@H]1SCCS[C@H]1c1noc(CCc2ccc(N)cc2)n1 161914960 PATZNHHUWIHPNB-IINYFYTJSA-N 321.471 3.347 10 10 DGCE CNCc1ccc(N2CCN(C3CCCC3)CC2)c(Cl)c1 164050171 YWOLKQJEZWKOIK-UHFFFAOYSA-N 307.869 3.124 10 10 DGCE O=C1NC(=S)/C(=C\c2cc(Br)ccc2O)S1 1470533 LQDAZUXJRFEYTB-XBXARRHUSA-N 316.201 3.279 10 10 DGCE CCOC(=O)[C@H]1CCCN(/N=N/c2ccc([N+](=O)[O-])c(C)c2)C1 1860488336 OALOZBXMPRQWIK-ZFHSLQLHSA-N 320.349 3.177 10 10 DGCE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H]([C@@H](N)c1ccccc1O)C2 1936973315 GAGCPRWFPAORMO-PCBIJLKTSA-N 318.417 3.180 10 10 DGCE CCOc1ccc(N2CCN(Cc3cccc(C)n3)CC2)cc1 1204070052 DYHJOIYLTXGHCZ-UHFFFAOYSA-N 311.429 3.111 10 10 DGCE CCOc1ccc(CC(=O)N(c2ccc(N)cc2)C2CC2)cc1 1857926959 LKSCLWFYEKCMST-UHFFFAOYSA-N 310.397 3.406 10 10 DGCE CN(C[C@H]1CCCCN1CCCN=[N+]=[N-])C(=O)OC(C)(C)C 1962287641 LIIPHGLCSUASCH-CYBMUJFWSA-N 311.430 3.408 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@@H](F)[C@H](C)C2)c(Br)c1 1947312718 JFWUHVBOTCKBMU-KBVBSXBZSA-N 302.187 3.297 10 10 DGCE CO[C@@]1(CNCc2c(O)cccc2Cl)CCCSC1 1879922469 VWCQFWDTJUVHEZ-CQSZACIVSA-N 301.839 3.047 10 10 DGCE COc1ccc(N2CCCSC[C@@H]2C(F)(F)F)c(N)c1 2143624479 ALPVSCJQXGYIGP-GFCCVEGCSA-N 306.353 3.152 10 10 DGCE CC1(F)CCN(c2ccc(CN)cc2Br)CC1 1946948515 NJEIGXYPSNRBOB-UHFFFAOYSA-N 301.203 3.236 10 10 DGCE CSC[C@H]1C[C@H](NCc2cc(Br)ccc2O)C1 1974443183 KEYCGOYFHONCCO-OTCDBFHCSA-N 316.264 3.386 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H]([C@H](N)c2ccccc2O)C1 259519659 AEBXONTWFNHPLY-WFASDCNBSA-N 306.406 3.039 10 10 DGCE CC[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CN1CCCN=[N+]=[N-] 1982247907 NKHAYTLVZQTRBL-MELADBBJSA-N 323.441 3.264 10 10 DGCE COCCNCc1ccc(N2CCSC[C@H]2C)c(Cl)c1 164093265 BYGVAQSOUAFTBY-GFCCVEGCSA-N 314.882 3.018 10 10 DGCE CCN[C@]1(C(=O)O)C[C@@H](Sc2nccs2)CCC1(C)C 2155425736 YOQQJQGJOFNZSN-HZMBPMFUSA-N 314.476 3.247 10 10 DGCE COc1cc(Cl)cc(CN[C@@H]2C[C@@]2(C)C(F)(F)F)c1O 2161751245 USQWXBJLBZBIHD-ZYHUDNBSSA-N 309.715 3.485 10 10 DGCE CN[C@H](C)c1ccc(N2C[C@H](F)[C@H](F)C2)c(Br)c1 714732039 CANXBVSCGNBAQF-FXAINCCUSA-N 319.193 3.226 10 10 DGCE CC[C@@H](NCCOC(F)F)c1cc(Br)ccc1O 398270580 UIQJBBDJPYRXIG-SNVBAGLBSA-N 324.165 3.435 10 10 DGCE CN(CC[S@](C)=O)c1ccc(CNC(C)(C)C)cc1Cl 399085846 MUFOPBPKXDKZGY-FQEVSTJZSA-N 316.898 3.043 10 10 DGCE Oc1cccc(Cl)c1CNC1(C(F)(F)F)CCOCC1 2168286923 IHCLPFAEWLFUMR-UHFFFAOYSA-N 309.715 3.247 10 10 DGCE CN[C@H](c1ccc(N(C)C)cc1)c1ccoc1Br 2044707915 HZMLKXVSQXLRBU-CYBMUJFWSA-N 309.207 3.417 10 10 DGCE C[C@H]1CC[C@@H](CN(C)Cc2cccc(Br)c2O)O1 2075385374 OUWSKECRVNVVAH-JQWIXIFHSA-N 314.223 3.154 10 10 DGCE C[C@H](NC[C@]1(Br)CC1(F)F)c1cc(F)ccc1O 2082489079 KEDGXORDIZJVGI-WRWORJQWSA-N 324.140 3.355 10 10 DGCE C[C@H](O)c1ccc(N(C)CCOC(F)F)c(Br)c1 2082823617 SETYWJIUSCETRP-QMMMGPOBSA-N 324.165 3.178 10 10 DGCE Cc1cccc(CNCc2nn(C)c(Cl)c2Cl)c1O 2094367733 KQXUMSMHSYTKBI-UHFFFAOYSA-N 300.189 3.031 10 10 DGCE CN1CCCc2cc([C@@H](N)c3cc(Br)co3)ccc21 2112423711 UQFWZGNQSGETDK-OAHLLOKOSA-N 321.218 3.473 10 10 DGCE CN(CC(F)(F)C(F)(F)F)c1ccc(CN)c(Cl)c1 2113826089 NWVGDEXZZAQQTN-UHFFFAOYSA-N 302.674 3.433 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(Cc2ncsc2Br)C1 2210634027 LYJYGKDASXHTQB-SSDOTTSWSA-N 302.201 3.180 10 10 DGCE CN(C[C@H]1C[C@H](F)C1)c1cc(Br)c(CN)cc1F 2327508831 WKTQQTWOIGFGDY-CZMCAQCFSA-N 319.193 3.231 10 10 DGCE CC[C@@H](O)[C@@H](CC)NCc1ccc(C)c(Br)c1O 2327625000 XKXMWKODJIQNIW-VXGBXAGGSA-N 316.239 3.102 10 10 DGCE CCCN(Cc1cc(CNC)ccc1OC)CC(F)(F)F 50125361 SLQZZHVYKKATAF-UHFFFAOYSA-N 304.356 3.189 10 10 DGCE CCOc1ccc(NC(=O)[C@@H](C)Cc2ccc(O)c(O)c2)cc1 170245124 QYANZDIZDHKKBW-LBPRGKRZSA-N 315.369 3.314 10 10 DGCE C[C@@H](Nc1ccc(Br)nc1)c1cc(O)ccc1O 235214531 SNGQDRQYABKAHA-MRVPVSSYSA-N 309.163 3.428 10 10 DGCE CN(CCc1ccc(N)cc1)[C@@H]1CCN(Cc2ccccc2)C1 309732627 SLWVYJREZOUGTH-HXUWFJFHSA-N 309.457 3.018 10 10 DGCE NCC[C@@H]1CN(Cc2c(O)cccc2Cl)c2ccccc21 128322101 QUDPYAIJYDEQFJ-GFCCVEGCSA-N 302.805 3.498 10 10 DGCE Cc1cc(C(=O)N2CCN3CCC2CC3)c(C)n1-c1ccccc1 188623323 GUOGDQBBFOVDDC-UHFFFAOYSA-N 323.440 3.014 10 10 DGCE NCC[C@H]1CN(Cc2c(O)cccc2Cl)c2ccccc21 128322351 QUDPYAIJYDEQFJ-LBPRGKRZSA-N 302.805 3.498 10 10 DGCE Nc1ccc(CC(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 71700265 IKOITCSZBGIMIS-UHFFFAOYSA-N 317.392 3.436 10 10 DGCE CN(C)c1ccc(CN[C@@H]2CCOC3(CCCC3)C2)cc1F 136715302 IWTRRDDNDNYEND-OAHLLOKOSA-N 306.425 3.473 10 10 DGCE Cc1cccc(CN[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1O 382474944 GWMLUJDNVPHRRB-LSDHHAIUSA-N 320.433 3.236 10 10 DGCE Cc1ccc(O)c(CN2[C@H]3CC[C@H]2CC(c2ccnn2C)C3)c1 367350573 WIFCNMFYPQPMPU-IRXDYDNUSA-N 311.429 3.345 10 10 DGCE CN(Cc1ccccc1O)CC1(CNC(=O)OC(C)(C)C)CC1 297951532 VWAQJJGJDFLHQQ-UHFFFAOYSA-N 320.433 3.129 10 10 DGCE Cc1ccccc1C(=O)NCc1cc(Br)ccc1O 804737786 XNUHTLXTCDZDKJ-UHFFFAOYSA-N 320.186 3.393 10 10 DGCE [N-]=[N+]=NCCCCNC(=O)/C=C\c1ccc(Br)o1 706390903 XYYHBBBKGRELKE-XQRVVYSFSA-N 313.155 3.262 10 10 DGCE CC(=O)NC1CCC(N[C@@H](C)c2c(C)cc(C)cc2O)CC1 293594516 FSCFFZVKQWUDMT-JEYLPNPQSA-N 304.434 3.107 10 10 DGCE CCOCc1nc([C@H](C)N[C@H](CC)c2ccc(C)cc2O)no1 290183159 NSGXJGGFGNQJBD-GXTWGEPZSA-N 319.405 3.422 10 10 DGCE COc1ccc(N2CCCN(CCC[C@H]3CCOC3)CC2)cc1 827802237 CULRWJWGQZHOPC-KRWDZBQOSA-N 318.461 3.024 10 10 DGCE CC(C)(C)OC(=O)NC1(c2cc(N)ccc2O)CC(F)(F)C1 1953040459 JOYZFJFSBZYMKE-UHFFFAOYSA-N 314.332 3.124 10 10 DGCE Cc1ccc(CCC(=O)NCc2ccc(N(C)C)cc2C)o1 746526563 JGNQBGQRNVMQRF-UHFFFAOYSA-N 300.402 3.211 10 10 DGCE CC[C@@H]1CN(Cc2c(O)cc(C)cc2Cl)C[C@H](C)[S@@]1=O 840948267 NKFWKVFMQUHATD-ZBUHCNDUSA-N 315.866 3.085 10 10 DGCE C/C(=C\c1ccccn1)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 846976992 HWTCSSXUOPIGMD-SZGUKTLCSA-N 309.413 3.428 10 10 DGCE C[C@H](NC1([C@@H]2CCCCO2)CC1)c1cc([N+](=O)[O-])ccc1O 927161169 PGLJVIFFPPSKFU-NHYWBVRUSA-N 306.362 3.053 10 10 DGCE CN(C)c1ccc(CN[C@@H]2C[C@H](O)c3ccccc32)cc1F 850372648 XBUJPBXSRKYKAE-AEFFLSMTSA-N 300.377 3.160 10 10 DGCE C[C@H](NC(=O)c1cc(O)cs1)[C@@H]1Oc2ccccc2[C@@H]1C 752824817 ZUPOJUXKVUSTLM-AMJWSMQMSA-N 303.383 3.137 10 10 DGCE CC[C@@H](N[C@H]1Cc2ccccc2N(C)C1=O)c1ccc(C)cc1O 850500237 DTGHJCARVDGUCN-SJORKVTESA-N 324.424 3.329 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@@H]3CCCc4cccnc43)C2)cc1 850488581 NKDINWXTPUTPOY-VQIMIIECSA-N 323.440 3.336 10 10 DGCE CCCc1nc2cc3c(cc2n1Cc1ccc(N)cc1)OCCO3 57867188 FWCQORIQAHLBJF-UHFFFAOYSA-N 323.396 3.391 10 10 DGCE O=C(N[C@@H]1C[C@H]1c1ccccc1Cl)c1cccc(O)c1O 1147580305 GWMJVHGSAPUUEV-WCQYABFASA-N 303.745 3.037 10 10 DGCE O=C(NCc1c(O)cccc1F)c1ccc(F)c2occc12 1156177578 KWJHWHWKRSGMKR-UHFFFAOYSA-N 303.264 3.347 10 10 DGCE C[C@H](NC(=O)NCc1c(O)cccc1F)[C@]12CCCC[C@@H]1C2 1234447722 SEJHRCQTHDCKCD-XWCIJXRUSA-N 306.381 3.299 10 10 DGCE CCOC(=O)[C@@H]1C[C@H]1CN(CC(C)C)c1ccc(OC)cc1 1171276150 HRYRNKPXZGBWEF-WMLDXEAASA-N 305.418 3.357 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[C@H](OC)C1 1321309244 BYPBXYFXXVCCJV-HOTGVXAUSA-N 320.433 3.271 10 10 DGCE COCCCNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 1184617143 IHFWZGVGLCYOML-UHFFFAOYSA-N 314.341 3.274 10 10 DGCE CO[C@H]1CCN(c2ccc([C@@H](C)O)cc2Br)[C@H]1C 1914236552 OFCPQNBKTFXZLK-RBZYPMLTSA-N 314.223 3.116 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)CC2=CCCCC2)cc1 1437381550 NQWJPPLGNWOATK-UHFFFAOYSA-N 316.445 3.480 10 10 DGCE COc1cc(CNCC(C)C)ccc1N1C[C@H](C)O[C@H](C)C1 212668591 PJQGDBZAKQBMBT-GASCZTMLSA-N 306.450 3.054 10 10 DGCE C[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(C)(C)c1ccccc1 1627842840 JQKUQHCNLXTWBO-ZDUSSCGKSA-N 313.397 3.123 10 10 DGCE O=C(NCc1ccc(O)c(O)c1)c1cscc1C(F)(F)F 1631439016 RXOBCBIUOGYCJD-UHFFFAOYSA-N 317.288 3.108 10 10 DGCE Cc1c(C(=O)NCc2ccc(O)cc2O)oc2c(C)cccc12 1643101162 XMDUJLWIAUUJDI-UHFFFAOYSA-N 311.337 3.391 10 10 DGCE CCOC(=O)/C=C\CN(C)c1ccc(-c2nccs2)cc1 1654678901 NLLMTZXMXXZBIN-PLNGDYQASA-N 302.399 3.366 10 10 DGCE C[C@H]1Cc2cc(NC(=O)/C=C/c3ccc(O)c(O)c3)ccc2O1 1652972583 JITQIVHHXJNASV-KTROKBFUSA-N 311.337 3.073 10 10 DGCE Oc1ccc(CCNc2cc(Cl)nc(C3CCC3)n2)cc1O 1655216803 DBHGWGUQAZCZEH-UHFFFAOYSA-N 319.792 3.463 10 10 DGCE COc1cc(NN=NCCc2cnc[nH]2)c(OC)cc1Cl 1860491756 WGVWIUYECVAZBC-UHFFFAOYSA-N 309.757 3.102 10 10 DGCE C[C@@H]1CCN(c2ccc(CN)cc2Br)C[C@H]1F 1946916167 AFNRHOOXOANLQY-BXKDBHETSA-N 301.203 3.092 10 10 DGCE Oc1cccc(Br)c1CNC[C@H](F)C(F)(F)F 1876093592 MQNCWWHNZJKRBO-VIFPVBQESA-N 316.092 3.145 10 10 DGCE C[C@@H]1CCS[C@H]1CNCc1ccc(Br)cc1O 1945605145 JONAEKYZRLMTHD-RNCFNFMXSA-N 316.264 3.386 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CC[C@@H]([C@H]2CCCN2)C1 1967977657 ABHWVEKFKJDOPJ-QMTHXVAHSA-N 315.244 3.273 10 10 DGCE CC(C)[C@H](NC(=O)OC(C)(C)C)[C@H](N)c1ccc(N(C)C)cc1 1977944032 AGDHINWNKIATIS-CVEARBPZSA-N 321.465 3.302 10 10 DGCE C[C@H](NC[C@@H]1C[C@H]1NC(=O)OC(C)(C)C)c1ccc(F)cc1O 1978007312 BDCLGGHZWNWBRD-COPLHBTASA-N 324.396 3.095 10 10 DGCE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(N)c1ccccc1O 1978246061 DVHKFQXYTXDDFK-ACJLOTCBSA-N 320.433 3.213 10 10 DGCE CN(Cc1ccccc1)c1ccc(C=CC(=O)O)c([N+](=O)[O-])c1 1987984286 URYWCPHDWDZHMD-UHFFFAOYSA-N 312.325 3.329 10 10 DGCE CN1CCc2cc([C@H](O)C(=O)c3ccc(Cl)s3)ccc21 2147116084 PIMFWMNTUKBVMB-AWEZNQCLSA-N 307.802 3.310 10 10 DGCE C[C@@H]1CC[C@@H]1N(C)c1ccc(CN)c(Br)c1F 1998768830 BMXHPRITDTULPG-SCZZXKLOSA-N 301.203 3.282 10 10 DGCE CCCNCc1ccc(N2CCOC(F)(F)C2)cc1Cl 2152297780 JHBNFJJBARSSHW-UHFFFAOYSA-N 304.768 3.269 10 10 DGCE COc1cc(Cl)cc(CN[C@H]2C[C@]2(C)C(F)(F)F)c1O 2161751243 USQWXBJLBZBIHD-JQWIXIFHSA-N 309.715 3.485 10 10 DGCE C[C@]12CN(Cc3ccccc3)C[C@@H]1CN(c1ccc(CN)cc1)C2 702121347 YEASFPHJEWRYNV-TZIWHRDSSA-N 321.468 3.104 10 10 DGCE Cc1ccc(CNCc2c(O)cccc2Br)nc1 706842126 MYFSWGAUIADUNQ-UHFFFAOYSA-N 307.191 3.148 10 10 DGCE CCN[C@H](C)c1ccc(N(CCF)CCOC)c(Cl)c1 697296103 UYESFTQHHNODBS-GFCCVEGCSA-N 302.821 3.433 10 10 DGCE CCOC(=O)c1cnn(Cc2cccc(Cl)c2O)c1Cl 2070391626 YFBWQBZLSIJVGJ-UHFFFAOYSA-N 315.156 3.121 10 10 DGCE Cc1cc(Br)cc(CN2C[C@@H](C)[C@@H](F)C2)c1O 1233106662 KKXPPOKULKZIIG-SKDRFNHKSA-N 302.187 3.253 10 10 DGCE NCc1cnn(Cc2cc(C(F)(F)F)ccc2O)c1C(F)F 2079062256 MWHRXWHHHTTYSR-UHFFFAOYSA-N 321.249 3.052 10 10 DGCE CC[C@@H](c1cc(Br)ccc1O)N(C)C[C@H](N)CC 2053082578 FVHPXZHYEDYKMF-YPMHNXCESA-N 315.255 3.275 10 10 DGCE COc1ccc(Br)nc1NCc1ccccc1O 2056071553 DQRBDZHBJPSWBI-UHFFFAOYSA-N 309.163 3.170 10 10 DGCE CNCc1ccc(N2C[C@@H]3C[C@H](C)[C@H]3C2)cc1Br 2085508344 UQDQCEFCPZEGCU-VHRBIJSZSA-N 309.251 3.261 10 10 DGCE CSc1ncc(CNc2ccc(OC(F)F)cn2)s1 2208579285 ZGZIGLGXONRTAR-UHFFFAOYSA-N 303.359 3.474 10 10 DGCE C[C@H](N)c1ccc(N2CC[C@H]3C[C@@]3(F)C2)c(Br)c1 2222709156 SGQKYWZAJFQRAX-NURSFMCSSA-N 313.214 3.407 10 10 DGCE CN[C@H](C)c1ccc(N2CC[C@@H](OC(F)F)C2)c(Cl)c1 2239199262 YRQNCOMIPIBBTJ-MWLCHTKSSA-N 304.768 3.438 10 10 DGCE NCc1ccc(N2CCC3(CC=CC3)C2)c(Br)c1 2258918230 GKBGZXZJNKEPHK-UHFFFAOYSA-N 307.235 3.454 10 10 DGCE C[C@@H](O)c1ccc(N(C)CC[C@@H]2CCO2)c(Br)c1 2264012367 UIJJKLGCYGUTRT-ZYHUDNBSSA-N 314.223 3.118 10 10 DGCE CCCN1N=C(c2ccccc2)C(=Cc2ccc(O)cc2O)C1=O 2332095910 FKXYCKXOARCSQH-UHFFFAOYSA-N 322.364 3.138 10 10 DGCE c1ccc(Cn2cccn2)c(CNCc2ccc3c(c2)CCO3)c1 54173175 DEMUYHQRMVQIJN-UHFFFAOYSA-N 319.408 3.156 10 10 DGCE Cc1cccc(NC[C@H]2CCN(Cc3cccc(C)c3O)C2)n1 179989074 JCCFNPVXTBMNBP-MRXNPFEDSA-N 311.429 3.338 10 10 DGCE COc1ccccc1-c1noc(CSc2nccs2)n1 64660127 NWCYDIAPOQHTFL-UHFFFAOYSA-N 305.384 3.494 10 10 DGCE CCCN(CC(=O)N(C)c1ccc(N)cc1)Cc1ccccc1 302869291 RFKISXBRFIPMMU-UHFFFAOYSA-N 311.429 3.144 10 10 DGCE CCOc1ccc(O)c(CN2CCC[C@@H](n3cc(C)cn3)C2)c1 123086831 RZEPLHNFGKTZAL-MRXNPFEDSA-N 315.417 3.133 10 10 DGCE Cc1ccc(O)c([C@@H](C)NCCCNC(=O)c2cccs2)c1 186031505 SUVLLPHYOKVDAK-CYBMUJFWSA-N 318.442 3.233 10 10 DGCE Cc1ccc(O)c(CN[C@@H]2CCN(Cc3ccccc3)[C@H]2C)c1 381069230 OFZJBZDYDWXHIG-QFBILLFUSA-N 310.441 3.453 10 10 DGCE Cc1ccc(-c2nc(COc3cccc(F)c3)no2)c(O)c1O 193022016 NOBIVZBEQLNQIX-UHFFFAOYSA-N 316.288 3.174 10 10 DGCE CCC[C@@]1(COC)CCCN1Cc1cc([N+](=O)[O-])ccc1O 194935698 ZEEWQQLNTREGDR-INIZCTEOSA-N 308.378 3.082 10 10 DGCE C[C@H]1C[C@H]1CN(C)c1ccc(CN)c(Br)c1F 231840098 XFOICRMBUJYOTK-WPRPVWTQSA-N 301.203 3.139 10 10 DGCE COc1cccc(CN2CCO[C@@H](c3cccs3)C2)c1O 92594437 NUUKOEWCJMWNLL-CQSZACIVSA-N 305.399 3.036 10 10 DGCE Cc1ccc(O)c(CN2CC[C@H](CNc3cccc(C)n3)C2)c1 92813335 CVFBACDGYRGMLB-MRXNPFEDSA-N 311.429 3.338 10 10 DGCE Cc1ccc([C@H](C)NCC(C)(C)C(=O)N2CCCC2)c(O)c1C 528015801 NZOHFLZPOFXHRC-HNNXBMFYSA-N 318.461 3.308 10 10 DGCE CCN(CC)c1ccc(CN[C@@H]2C[C@H]3OCCC[C@@H]23)cc1F 250125633 WDEGRKAXSSNZKU-YXJHDRRASA-N 306.425 3.329 10 10 DGCE CC[C@@H]1[C@@H](CO)CCN1Cc1ccc(N2CCCCC2)cc1 824636292 OODMAUSOOCOSBT-IEBWSBKVSA-N 302.462 3.270 10 10 DGCE CNCc1ccccc1CNC/C=C\c1ccc(N(C)C)cc1 844904291 GXUIZYUBGSVJRL-SREVYHEPSA-N 309.457 3.275 10 10 DGCE COC(=O)/C=C\c1ccc(N2C[C@H](C)C[C@H]2C)c([N+](=O)[O-])c1 740870853 KKWNRWJYUCETSR-LWSHCTJVSA-N 304.346 3.016 10 10 DGCE Cc1cc(O)c(CNC[C@]23OCCC[C@H]2C3(F)F)c(Cl)c1 850379703 FNKIHMGSRVCGAD-KGLIPLIRSA-N 317.763 3.258 10 10 DGCE CC[C@H](NCCOCCCN)c1ccc(Cl)c(Cl)c1O 863548072 UPDQRQGZTVMQSY-LBPRGKRZSA-N 321.248 3.105 10 10 DGCE CC[C@H]1CCCCCN1Cc1ccc([N+](=O)[O-])c(OC)c1O 774904293 GIFKSIMDKDOQSE-ZDUSSCGKSA-N 308.378 3.464 10 10 DGCE COc1ccc(N(C)Cc2cn3cccc(F)c3n2)cc1F 780779773 XMVIQOGGPWJVFC-UHFFFAOYSA-N 303.312 3.258 10 10 DGCE COc1cc(Cl)cc(CNc2cccc(C(=O)O)c2)c1O 76274049 DSUFNRJDPWZRRL-UHFFFAOYSA-N 307.733 3.365 10 10 DGCE CC[C@@H](NCc1cc(Cl)c(F)cc1O)[C@H]1CCCOC1 895662195 BSDVUESFIIUWKO-IINYFYTJSA-N 301.789 3.480 10 10 DGCE CCOCc1cc(CNCc2cccnc2F)ccc1OC 793283913 BIVRRRQFIDEGAH-UHFFFAOYSA-N 304.365 3.056 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)C[C@H]2CCC3(CCC3)O2)c1 896162433 DRJBKJCXWKHORC-TZMCWYRMSA-N 319.401 3.070 10 10 DGCE C[C@@H](CNCc1ccc(Br)cc1O)C(F)(F)F 691455384 OQKLSFMLEFXNGM-ZETCQYMHSA-N 312.129 3.443 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Nc1c(N)cccc1F 1959370392 MBSRYAXFEBGCEB-ZWNOBZJWSA-N 309.385 3.075 10 10 DGCE Oc1c(CNc2ccc(C(F)(F)F)nn2)ccc2cccnc12 1307146911 XJEFBQGUYIALCG-UHFFFAOYSA-N 320.274 3.361 10 10 DGCE CCCN(Cc1ccccc1O)C1CN(C(=O)OC(C)(C)C)C1 1191289957 WFQPOTYZJHHEMS-UHFFFAOYSA-N 320.433 3.224 10 10 DGCE CN(C[C@H]1C2C[C@@H]3C1[C@@H]3C2)c1ccc(CO)c(Br)c1 2134480112 CEMXZNMQVMCSMA-JRFBXIJQSA-N 322.246 3.280 10 10 DGCE [N-]=[N+]=N[C@H]1CCN(C(=O)c2cccc(Br)c2F)C1 1912153339 AWDLNIBBLHOVRS-ZETCQYMHSA-N 313.130 3.113 10 10 DGCE Cn1cnc(/C=C/C(=O)N2CCc3cc(C(C)(C)C)ccc32)c1 1524070810 ZDYUOEVOHHDUCW-SOFGYWHQSA-N 309.413 3.320 10 10 DGCE O=C(NCc1ccc(O)cc1O)c1cc(C(F)F)ccc1F 1639444331 HMSOEFPPNYQRIM-UHFFFAOYSA-N 311.259 3.105 10 10 DGCE Cc1ccc(O)c(CNC(=O)N[C@H](C)[C@]23CCCC[C@H]2C3)c1 1637638438 JJLFBJNZPIYTOE-QIIPPGSGSA-N 302.418 3.469 10 10 DGCE COc1ccc(CN[C@@H](CNC(=O)CC2CC2)C(C)C)cc1C 1732551375 CZUKYJVXKOHTTC-KRWDZBQOSA-N 318.461 3.034 10 10 DGCE O=C(C[C@H]1Cc2ccccc2O1)NCc1cccc(Cl)c1O 1648609419 XXCKJTHGBMJDTM-CYBMUJFWSA-N 317.772 3.056 10 10 DGCE COC(=O)/C=C\c1ccc(N2CCC=C(Cl)C2)c([N+](=O)[O-])c1 1655629615 AYRNAUYZGVJODE-ALCCZGGFSA-N 322.748 3.114 10 10 DGCE Cc1cc(CN(C)Cc2ccc(N3CCCCC3)cc2F)n[nH]1 19657807 QTDGFMOLSBAYDD-UHFFFAOYSA-N 316.424 3.480 10 10 DGCE CC[C@@H](N[C@@H]1CCc2nc(C(C)C)nn2C1)c1ccccc1O 156509070 ALHIBPDEBLLHHK-UKRRQHHQSA-N 314.433 3.163 10 10 DGCE CCCC1=NN(CCC)C(=O)/C1=C/c1ccc(C(=O)O)cc1 1865675623 RLNKVUBVWKWDID-SDNWHVSQSA-N 300.358 3.177 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@H]1C[C@@]12CCCOC2 1896386912 HGRABZLSXCTIRI-GXTWGEPZSA-N 302.201 3.358 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@]12CCOC[C@H]1C2 1880208379 PAEYLRKLEVMCOH-QMTHXVAHSA-N 302.201 3.215 10 10 DGCE C[C@H]1C[C@H](N(C)CCc2ccc(N)cc2)CN1Cc1ccccc1 1949210940 XAWFRKUVHNNDJY-UWJYYQICSA-N 323.484 3.406 10 10 DGCE Cc1cccc(O)c1CN[C@H](CNC(=O)OC(C)(C)C)C(C)C 1976875544 LIPSWWRZJTWUBZ-OAHLLOKOSA-N 322.449 3.340 10 10 DGCE CCN[C@H](C)c1ccc(N2CCOC(F)(F)C2)c(Cl)c1 2152295255 VHPYMEITJLXNSP-SNVBAGLBSA-N 304.768 3.440 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]2CCC[C@@H]2N1CCCN=[N+]=[N-] 1982246816 ZPECTXWCEOOFBM-RDBSUJKOSA-N 323.441 3.455 10 10 DGCE C[C@@H]1CC[C@](NC(=O)OC(C)(C)C)([C@@H](N)c2ccccc2O)C1 1990399590 JNWFPDWIRWJROI-HNJNHCNJSA-N 320.433 3.476 10 10 DGCE CN(c1ccc(CN)c(Br)c1F)[C@H]1CC1(C)C 2004421648 BGDZOHSANZCFNC-JTQLQIEISA-N 301.203 3.282 10 10 DGCE Nc1ccc(CCOCc2cnsc2Br)cc1 2007427455 VBMKQZJNTZALOQ-UHFFFAOYSA-N 313.220 3.247 10 10 DGCE C[C@@H]1CCO[C@@H]1CN(C)Cc1c(O)cccc1Br 2034984656 LIYDQHAIPYNILG-QMTHXVAHSA-N 314.223 3.012 10 10 DGCE C[C@H](CNCc1ccc(Br)cc1O)c1ccccn1 691440195 NRBAOXYKJRRWPW-LLVKDONJSA-N 321.218 3.443 10 10 DGCE CCC1(C)CN(c2ccc(CN)c(Br)c2F)C1 381884657 IYGRDDWBCIELKC-UHFFFAOYSA-N 301.203 3.283 10 10 DGCE CCOCCCN(C)c1ccc([C@H](C)N)cc1Br 382785453 HVKHZJJFMJPFJJ-NSHDSACASA-N 315.255 3.332 10 10 DGCE Oc1cc(Br)ccc1Cn1ccc(C(F)F)n1 2070098756 AKSODWYEYNXWNQ-UHFFFAOYSA-N 303.106 3.337 10 10 DGCE CCOC(=O)c1cnn([C@H](C)c2cc(C)ccc2O)c1Cl 2070386024 ICPQBMRLEATOKO-SNVBAGLBSA-N 308.765 3.337 10 10 DGCE COc1ccc(Br)c(CN2C3CCC2CC3)c1O 1231553661 AEKNIYWDKBANCT-UHFFFAOYSA-N 312.207 3.290 10 10 DGCE Oc1ccc(CNCc2snc(Cl)c2Cl)c(O)c1 2048345852 IBPBEFPLEDAKTK-UHFFFAOYSA-N 305.186 3.151 10 10 DGCE CCn1cccc1CN(C)c1ccc(CO)cc1Br 2114547343 IRGCRMPPRAVVJX-UHFFFAOYSA-N 323.234 3.399 10 10 DGCE COc1ccc(Br)c(CN2C[C@@H](C)C[C@H]2C)c1O 2220488555 CJONWSNCWHMIRB-VHSXEESVSA-N 314.223 3.394 10 10 DGCE Nc1ccc(Nc2ccc(F)c(F)c2Br)nc1 2248160158 GGEZNCBZMODCDU-UHFFFAOYSA-N 300.106 3.448 10 10 DGCE Cc1ccc(CN[C@@H]2CCS[C@H]2C)c(O)c1Br 2307477300 LARJWHGPGPFFFQ-GXSJLCMTSA-N 316.264 3.447 10 10 DGCE CC(C)[C@@H](O)C(C)(C)NCc1cccc(Br)c1O 2318068133 MZONTMTXEWBODL-CYBMUJFWSA-N 316.239 3.040 10 10 DGCE CC(C)OC(=O)c1cccc(N=NN2C[C@H](C)O[C@@H](C)C2)c1 2330233092 YRQCUYGHNYNEMB-STQMWFEESA-N 305.378 3.360 10 10 DGCE Cc1ccc(CNC[C@H]2[C@H](C)C2(F)F)c(O)c1Br 2327793324 ULFJOSPBEVSVMJ-WPRPVWTQSA-N 320.177 3.454 10 10 DGCE CC[C@](NCc1cnc(SC)s1)(C(=O)O)C(C)(C)C 2349495160 JPXKEKNJSRNNSP-ZDUSSCGKSA-N 302.465 3.234 10 10 DGCE Cc1ccc(CN(C)c2cncc(N)c2)c(O)c1Br 2352653656 BZUCTEIFKREETH-UHFFFAOYSA-N 322.206 3.077 10 10 DGCE NCc1ccc(N2CCC(CN3CCCC3)CC2)c(Cl)c1 62793198 APGBBVRROQVKNX-UHFFFAOYSA-N 307.869 3.111 10 10 DGCE COC(=O)c1cccc(/N=N\c2c(C(=O)O)nc3ccccn23)c1 71581162 BXCHBBGLMJRPTF-HNENSFHCSA-N 324.296 3.235 10 10 DGCE O=C(Nc1ccccc1OC(F)(F)F)c1cccc(O)c1O 318353811 WVCWZMRHPGGIMO-UHFFFAOYSA-N 313.231 3.249 10 10 DGCE Cc1cc(-n2cccn2)ccc1NCc1cc2c(cc1O)OCO2 188884628 BDPRDNOEZPPILJ-UHFFFAOYSA-N 323.352 3.227 10 10 DGCE CC[C@H](NC(=O)CCOc1ccc(N)cc1)c1cccs1 49528211 DRLMZMVUZDHYJW-AWEZNQCLSA-N 304.415 3.367 10 10 DGCE COc1cc(C(=O)COc2ccc(N)cc2)c(OC)cc1Cl 40353888 INPOMVBTCJOMKW-UHFFFAOYSA-N 321.760 3.201 10 10 DGCE CNCc1ccc(N2CC[C@H](COCc3ccccc3)C2)cc1 384177793 XEGIQFBVHLTVTI-IBGZPJMESA-N 310.441 3.449 10 10 DGCE CC(=O)N(C(=O)OCCc1cccc(F)c1)c1ccc(N)cc1 243430288 MYUWKAORXVBPCX-UHFFFAOYSA-N 316.332 3.140 10 10 DGCE Oc1cc(F)c(Cl)cc1CN1CCC[C@H](c2ncc[nH]2)C1 295374508 OPOCFXSGHRVVQA-JTQLQIEISA-N 309.772 3.287 10 10 DGCE Cc1cc(Cl)cc([C@H](C)NC[C@@H](CO)c2cccnc2)c1O 808717176 ATYFXBJVALOUQN-JSGCOSHPSA-N 320.820 3.176 10 10 DGCE Cc1ccncc1/C=C/C(=O)N1CCc2c(F)ccc(F)c21 817827085 IGAYIKOMWMUIDA-GORDUTHDSA-N 300.308 3.271 10 10 DGCE C[C@H](N[C@H]1CNCC[C@H]1C)c1ccc(Cl)c(Cl)c1O 817968765 MBVRPDBONKOVEK-PTRXPTGYSA-N 303.233 3.348 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCC[C@H]1OC 815131831 NJLRHVVXPJPGON-QZTJIDSGSA-N 318.461 3.306 10 10 DGCE Cc1ccc(C(=O)OCc2nc(C)c3ccccc3n2)c(O)c1O 727005022 CYKPVTBTSQAXSV-UHFFFAOYSA-N 324.336 3.015 10 10 DGCE CCCN(CCC)c1ccc(CN(C)Cc2cn(C)nn2)cc1 827304664 BXNGUAIDKXUCQC-UHFFFAOYSA-N 315.465 3.074 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCC[C@@H](c3ccnn3C)C2)cc1 835024879 AHSGZNBZIYEMFR-MJICGBHWSA-N 324.472 3.379 10 10 DGCE Cc1ccc(O)c(CN[C@H]2c3sccc3OC(C)(C)[C@@H]2O)c1 839173693 WHIRGGFNWYEVAA-GOEBONIOSA-N 319.426 3.125 10 10 DGCE COC(=O)c1ccc(O)c([C@@H](C)NC[C@@H](C)CC(F)F)c1 842891029 WIRZYYVPTUCHKP-VHSXEESVSA-N 301.333 3.121 10 10 DGCE COc1ccc(O)c(CNC(=O)N[C@H]2C[C@H]2C2CCCCC2)c1 745819822 GUIFUAVQWOJLOS-HOTGVXAUSA-N 318.417 3.169 10 10 DGCE C[C@@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@@H](CC(C)(C)C)C1=O 843309486 ZIRHFNADRQJJKV-WFASDCNBSA-N 317.433 3.170 10 10 DGCE Cc1cc(O)c(CNCC2(CO)CC3(CCC3)C2)c(Cl)c1 840940526 DPOWIPKUKLBDFA-UHFFFAOYSA-N 309.837 3.386 10 10 DGCE COc1cccc([C@H](C)NC[C@@H]2Cc3ccccc3CO2)c1O 858454569 HGFVPLCLSKLIKC-BBRMVZONSA-N 313.397 3.193 10 10 DGCE CCN(C)c1ccc(CN2CCO[C@@H](CC(F)(F)F)C2)cc1 852741210 XTVUBQZFVIDPFB-HNNXBMFYSA-N 316.367 3.296 10 10 DGCE C[C@H](NCc1ccn(C)n1)c1ccc(Cl)c(Cl)c1O 756777802 LDRSVLOSMAHPFD-QMMMGPOBSA-N 300.189 3.283 10 10 DGCE O=C(c1cc(O)cs1)N1CC(Cc2ccccc2Cl)C1 754494725 ZQFLPBLCHROUFC-UHFFFAOYSA-N 307.802 3.422 10 10 DGCE Oc1ccc(CNCc2c(Cl)cccc2Cl)c(O)c1O 696907408 NATWXXKMZQCLPN-UHFFFAOYSA-N 314.168 3.400 10 10 DGCE C[C@H](CC(=O)OC(C)(C)C)NC/C=C\c1ccc(N(C)C)cc1 1117944981 OCOMLPDPHLTRLA-ZPIQOJFGSA-N 318.461 3.476 10 10 DGCE CCOc1cccc(CNC[C@H]2CCC3(CCC3)CO2)c1O 886318016 HLPYDXRSSBGYJX-OAHLLOKOSA-N 305.418 3.230 10 10 DGCE CN(C)c1cc(F)c(CN2CC[C@@H](c3nccs3)C2)cc1F 895582294 KAWODSYELAAOOA-LLVKDONJSA-N 323.412 3.477 10 10 DGCE Oc1cc2c(cc1CN1CCOC[C@@H]1CC(F)F)CCCC2 795731632 SVESOPIVGHRVNE-HNNXBMFYSA-N 311.372 3.127 10 10 DGCE C[C@H]1[C@@H](Nc2ccc(N)cc2)CCCN1C(=O)OC(C)(C)C 1959377853 UGGDBLPWVBPXKU-WFASDCNBSA-N 305.422 3.469 10 10 DGCE O=C(/C=C/c1cccnc1)NCc1c(O)ccc2ccccc12 1179029883 UYCUGVKDGCRPCE-JXMROGBWSA-N 304.349 3.270 10 10 DGCE O=C(/C=C/Sc1ccccc1)NCc1c(O)cccc1F 1178413719 XTKZWMRUBJYHPE-MDZDMXLPSA-N 303.358 3.454 10 10 DGCE C[C@@H](N)c1ccc(N2CC(N(C)Cc3ccccc3)C2)c(F)c1 1914195245 JUTCJKNKOCUWFU-CQSZACIVSA-N 313.420 3.166 10 10 DGCE CC[C@@H]1CCN(Cc2cccc(Br)c2O)CCO1 1913666464 WMSAYMWMCHPZHW-GFCCVEGCSA-N 314.223 3.156 10 10 DGCE CCNCc1ccc(N(Cc2ccccc2)C[C@@H](C)O)cc1C 1914651334 OZKFWTKFAJQAHX-QGZVFWFLSA-N 312.457 3.492 10 10 DGCE OCc1ccc(N2CC[C@H](CC(F)F)C2)cc1Br 1916725710 XLRYHXUZNDPXIH-SECBINFHSA-N 320.177 3.423 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC/C=C/C1CC1 1470343810 QZDXHWYUTGTXHA-LLYBFZRZSA-N 315.461 3.257 10 10 DGCE CC(C)c1cccc(C(=O)NCc2ccc3cccnc3c2O)n1 1557122396 ITWOAJUPWNMLQQ-UHFFFAOYSA-N 321.380 3.389 10 10 DGCE C[C@@H](Oc1ccccc1)C(=O)NCc1cccc(Cl)c1O 1637226979 HWZQZWAEQWAETK-LLVKDONJSA-N 305.761 3.129 10 10 DGCE O=C(NCc1c(O)cccc1O)C1(Cc2ccccc2)CCC1 1639292721 NXSDJFFBHUDDRK-UHFFFAOYSA-N 311.381 3.127 10 10 DGCE O=C(c1ccccc1-c1cn[nH]c1)N1CCc2c(F)cccc21 1567365478 VBGVLHNXNBFBRV-UHFFFAOYSA-N 307.328 3.419 10 10 DGCE CSc1cnc(N(C)Cc2ccc(N3CCCC3)cc2)nc1 1639226895 JAHCOJFEQIHLBV-UHFFFAOYSA-N 314.458 3.435 10 10 DGCE O=C(N[C@H]1CCCc2c(F)cccc21)c1cccc(O)c1O 1569845974 LWZFMMFLSFXTIZ-AWEZNQCLSA-N 301.317 3.044 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CCCC[C@@]23CCOC3)c1O 1560233163 SVLBEPFLFXJSLA-KRWDZBQOSA-N 323.820 3.393 10 10 DGCE CN(Cc1ccccc1O)C(=O)NCc1c(F)cc(F)cc1F 1687545421 PRLUKRHRTDEFKV-UHFFFAOYSA-N 324.302 3.151 10 10 DGCE C[C@@H]1CN(c2ccc(CNC(C)(C)C)cc2Cl)CCN1C 164073724 JUNOMLJHWNMXSW-CYBMUJFWSA-N 309.885 3.368 10 10 DGCE Cc1ccc(O)c(CN2CCC[C@H](NC(=O)OC(C)(C)C)C2)c1 154904113 RAKGNSCYPPVNRX-HNNXBMFYSA-N 320.433 3.190 10 10 DGCE C[C@@H]1CCCCN1/N=N/c1ccc(N2CCN(C)CC2)cc1 1860486240 TYERHHDJEDSVKG-AMGRQBIBSA-N 301.438 3.312 10 10 DGCE Cc1cc2nc(Cc3ccc(N)cc3)n(CCCO)c2cc1C 19751403 OYRAOQNFBALBRR-UHFFFAOYSA-N 309.413 3.209 10 10 DGCE CN[C@@H](c1ccccc1O)[C@@H]1C[C@@H](F)CN1C(=O)OC(C)(C)C 1938632069 LSDKBRIWXFYNSL-ZLDLUXBVSA-N 324.396 3.000 10 10 DGCE Cc1nc(NC(=O)Nc2ccc(N)cc2)ccc1Br 1876148889 JGDKCJDSQMMIGB-UHFFFAOYSA-N 321.178 3.379 10 10 DGCE Cc1cccc(O)c1[C@H](C(=O)O)N(C(=O)OC(C)(C)C)C(C)C 1976873397 MMEFEGZXAABVEO-CQSZACIVSA-N 323.389 3.472 10 10 DGCE C[C@H](O)c1ccc(N(C)C[C@@H]2C[C@H]2F)cc1Br 2014704489 HWLOKYUQMPYIOI-MWODSPESSA-N 302.187 3.297 10 10 DGCE Oc1cc(F)ccc1CNCc1ncc(Br)s1 2024890355 MYODUUJKMCMSIR-UHFFFAOYSA-N 317.183 3.040 10 10 DGCE Nc1ccc2c(ccn2Cc2cc(Br)sn2)c1 2024822316 SUUJGYZZABDEBL-UHFFFAOYSA-N 308.204 3.491 10 10 DGCE Cc1cc(N2CCN(Cc3ccccc3)C[C@H](C)C2)ccc1CN 323509387 HOKMZJQZNNHZED-KRWDZBQOSA-N 323.484 3.412 10 10 DGCE OC[C@@]12CC[C@@H](C[C@H]1NCc1cc(Cl)cc(Cl)c1O)C2 2161038366 XUBBTNHDARDLAX-RJIBLYRGSA-N 316.228 3.340 10 10 DGCE CCOC(=O)c1cc(C(C)C)nn1Cc1cc(C)ccc1O 2069905838 RDZFTDDBRDUYKE-UHFFFAOYSA-N 302.374 3.246 10 10 DGCE CC(C)c1cc(CN)n(Cc2cccc(C(F)(F)F)c2O)n1 2070049466 ZWJHXFROTNYQJG-UHFFFAOYSA-N 313.323 3.238 10 10 DGCE C[C@H](c1cc([N+](=O)[O-])ccc1O)n1ncc(C2CCCC2)c1O 2070260369 YNGSRWJDXXGOKR-SNVBAGLBSA-N 317.345 3.469 10 10 DGCE CN1CC[C@@H]2[C@H](CCN2Cc2cc(Cl)cc(Cl)c2O)C1 2170943413 RLAXZQOGPXLICH-QMTHXVAHSA-N 315.244 3.225 10 10 DGCE CN(Cc1cc(Br)co1)c1ccc(CN)cc1F 2050632986 ZRYGBAYYUCCWTI-UHFFFAOYSA-N 313.170 3.276 10 10 DGCE CC[C@H](N)CN(C)[C@@H](CC)c1cc(Br)ccc1O 2053082575 FVHPXZHYEDYKMF-AAEUAGOBSA-N 315.255 3.275 10 10 DGCE CN(CC[C@@H]1CCOC1)Cc1cc(Br)ccc1O 2075512454 UTBMBKKASVJMDL-LLVKDONJSA-N 314.223 3.013 10 10 DGCE Cc1cccc(C[C@@H](O)Cc2ccc(N)cc2)c1Br 2087871924 GDXSHEXZNLTNDV-HNNXBMFYSA-N 320.230 3.486 10 10 DGCE Cc1cnc(C(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])c(Br)c1 2225791599 FUWONGZMGIZSAD-VHSXEESVSA-N 324.182 3.114 10 10 DGCE CCCN=c1[nH]ccc(NCc2cnc(SC)s2)c1C 2284724850 QEMVAIDSXNMKKZ-UHFFFAOYSA-N 308.476 3.424 10 10 DGCE C[C@H](O)c1ccc(N2CCc3ncsc3CC2)c(Cl)c1 2287052702 XLPDKONDONKVRL-JTQLQIEISA-N 308.834 3.455 10 10 DGCE Cc1ccc2c(c1)OCCN2C(=O)C=Cc1ccc(Cl)nc1 2304430066 PDTWHWNLASTFQA-UHFFFAOYSA-N 314.772 3.482 10 10 DGCE CCC1=NN(c2ccccc2)C(=O)C1=Cc1ccc(O)cc1O 2332095918 GDYISYANGFKIHU-UHFFFAOYSA-N 308.337 3.294 10 10 DGCE CC[C@@H](O)CCCNCc1ccc(C)c(Br)c1O 2327624586 SLOVWSQFJIVGGA-GFCCVEGCSA-N 316.239 3.104 10 10 DGCE Cc1ccccc1C[S@](=O)CCCOc1ccc(N)cc1 54964454 GSRUZHJCBZIKDY-NRFANRHFSA-N 303.427 3.295 10 10 DGCE CCN(c1ccc([C@@H](C)N)c(Br)c1)[C@@H]1CCOC1 310885492 OMNPMOMCDWVSGN-ZYHUDNBSSA-N 313.239 3.084 10 10 DGCE Cc1nc(C[C@@H]2CCCN(Cc3cc(C)c(C)cc3O)C2)no1 103135118 NGNJBDTYTPOERZ-HNNXBMFYSA-N 315.417 3.155 10 10 DGCE CCc1nnsc1CN(C)c1ccc(CNC)c(Cl)c1 2361118599 XMFWXIXZTHGPJX-UHFFFAOYSA-N 310.854 3.110 10 10 DGCE C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(F)c(F)c1 180598180 YOZXQVPICFYMKZ-HTZNOQTFSA-N 319.307 3.267 10 10 DGCE COC(=O)C[C@@H](N[C@H](C)c1ccccc1O)c1cccs1 37076612 OYFSFYOIMDGXPI-DGCLKSJQSA-N 305.399 3.409 10 10 DGCE COc1ccc(O)c([C@@H](C)N[C@H](C)Cc2c(C)nn(C)c2C)c1 185559264 UZWOVWSSAXFIEX-VXGBXAGGSA-N 317.433 3.033 10 10 DGCE Nc1ccc(OCCC(=O)Nc2c(F)cccc2Cl)cc1 225150076 LCEPHFMEMIFOSV-UHFFFAOYSA-N 308.740 3.469 10 10 DGCE CCOc1cccc(CNCCc2cc(C)c(O)c(C)c2)c1O 190396529 GUWCGAMRRNYYED-UHFFFAOYSA-N 315.413 3.446 10 10 DGCE CC[C@@H]1CC[C@H](C)N1c1cc2c(cc1Cl)[C@@H](NC)C(=O)N2 224210569 NDHKBSPIPSIMEI-FEUHOPSXSA-N 307.825 3.320 10 10 DGCE CC[C@H](N[C@H]1CCCn2nc(C)nc21)c1ccc(N(C)C)cc1 90225407 OTIWEBPHXBHVHU-IRXDYDNUSA-N 313.449 3.228 10 10 DGCE COc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1C 91353246 VBOGQNXSVHMFDM-UHFFFAOYSA-N 320.433 3.369 10 10 DGCE Cc1cc(Cl)cc(CNC[C@H]2CCN2C2CCCC2)c1O 529669049 KYWAUGFCVLGMLJ-MRXNPFEDSA-N 308.853 3.461 10 10 DGCE CCOc1ccc(O)c(CN[C@H]2CCO[C@H](C(C)(C)C)C2)c1 270606074 BRSAUIUNORJHCH-YOEHRIQHSA-N 307.434 3.474 10 10 DGCE CC[C@H](NCc1ccc(N2CCCCC2)cc1)[C@@H](O)C(F)F 295015385 JWLCVJAOFVIING-JKSUJKDBSA-N 312.404 3.171 10 10 DGCE COc1ccc(O)c(CNCc2ccc3c(c2)OC(F)(F)O3)c1 818188081 UFZJLXCUGVSUTJ-UHFFFAOYSA-N 323.295 3.012 10 10 DGCE CCNC(=O)C[C@@H]1CCCCN1Cc1ccc(N(C)CC)cc1 815113794 LGLMJPLEXKHFQB-SFHVURJKSA-N 317.477 3.023 10 10 DGCE COc1c([N+](=O)[O-])ccc(CN2CCC[C@H](C3CCC3)C2)c1O 827627009 LUFUZIFZHYOPIY-ZDUSSCGKSA-N 320.389 3.321 10 10 DGCE Cc1cc(Cl)cc(CN2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1O 824715522 LDGNIECBXXPLRB-XHSDSOJGSA-N 309.837 3.479 10 10 DGCE O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1C[C@H]2CC[C@H]1C2 738458750 GZZFWSJGOHZINP-BQFCYCMXSA-N 313.445 3.275 10 10 DGCE COC(=O)[C@H](C)N(C/C=C/c1ccc(N(C)C)cc1)C1CCC1 835050364 PHCQPIFTIOLXCE-LFAOLKIESA-N 316.445 3.182 10 10 DGCE C[C@H](NCCc1cn(C)cn1)c1cccc(C(F)(F)F)c1O 840764554 VBOLWQRHXOMTES-JTQLQIEISA-N 313.323 3.038 10 10 DGCE Cc1cc(O)c(CN2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)cc1C 840997406 DKTZJOSPWQZKSA-IMJJTQAJSA-N 303.402 3.227 10 10 DGCE Cc1ccc(CO[C@H](C)C(=O)NCc2c(O)cccc2F)cc1 928710085 GTUFEBVNHSSWPH-CYBMUJFWSA-N 317.360 3.061 10 10 DGCE CN1CCc2cc(/C=C\c3nccc(-c4cnn(C)c4)n3)ccc21 769614082 GYDKLYRZMBZXDU-XQRVVYSFSA-N 317.396 3.040 10 10 DGCE O=C(NCc1ccc(N2CCCC2)cc1)c1ccnn1C1CCC1 930205894 PWOWPAUBMGQQTC-UHFFFAOYSA-N 324.428 3.138 10 10 DGCE CCCCCc1cc(C(=O)NCc2cc(C)ccc2O)n[nH]1 862753916 LEZYBUDEWATOKZ-UHFFFAOYSA-N 301.390 3.086 10 10 DGCE COc1cc(N(C)Cc2ccc(Cl)cn2)cc(OC)c1OC 778213519 DQEJQZYNQHKIHM-UHFFFAOYSA-N 322.792 3.397 10 10 DGCE CC[C@@H](NCc1nccn1CC(F)(F)F)c1ccccc1O 775412988 SZOPIQPIVQAJJO-GFCCVEGCSA-N 313.323 3.392 10 10 DGCE COc1cccc2c1OCCC[C@H]2NC(=O)c1cc(O)cs1 882260362 GEQCPOJQTVJPKL-GFCCVEGCSA-N 319.382 3.106 10 10 DGCE CN(CC1=CCSC1)C(=O)c1cc2cc(O)c(O)cc2s1 898989001 PVYHGQUKWGVPBW-UHFFFAOYSA-N 321.423 3.058 10 10 DGCE C[C@H](N[C@H](C)COCc1ccccc1)c1c(O)cccc1O 390550816 CCGPZEXYFMIREV-KGLIPLIRSA-N 301.386 3.354 10 10 DGCE C[C@@H](CCCNCc1ccc(N)cc1)NC(=O)OC(C)(C)C 1958768099 DCWLZPODVYBKCA-ZDUSSCGKSA-N 307.438 3.052 10 10 DGCE C[C@@H]1[C@@H](NCc2cccc(F)c2O)CCN1C(=O)OC(C)(C)C 700753443 KQTZPBVVNHEERV-RISCZKNCSA-N 324.396 3.019 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@@H]3[C@@H](C2)C3(F)F)cc1Br 715487862 BVPBRSONGHRJRP-AVPPRXQKSA-N 317.177 3.170 10 10 DGCE Cc1ccc(O)c(CNC(=O)COc2ccc(F)c(Cl)c2)c1 1301046823 MKFPBYXRQUAMGZ-UHFFFAOYSA-N 323.751 3.188 10 10 DGCE CCNCc1ccc(N2CCP(C)(=O)CC2)cc1Cl 2115345375 FBRLIBMQRCOYKK-UHFFFAOYSA-N 300.770 3.262 10 10 DGCE C[C@H](NC(=O)c1ccc(C(F)(F)F)cn1)c1ccccc1O 1171722899 FNPUFBVWQFTLIH-VIFPVBQESA-N 310.275 3.297 10 10 DGCE Cc1cc(NCc2ccc(O)cc2O)c(Br)nc1C 2125226637 AVYDJILLUHVNGQ-UHFFFAOYSA-N 323.190 3.484 10 10 DGCE CCc1cc(N[C@@H](C)c2cc(OC)ccc2O)nc(CC)n1 1185291048 RXRHAHXRFGTVBX-NSHDSACASA-N 301.390 3.489 10 10 DGCE COc1ccc(CN[C@@H](C)[C@@H](C)NC(=O)CC(C)C)cc1C 1505547941 QXWDWXZGDUBNNJ-LSDHHAIUSA-N 306.450 3.033 10 10 DGCE Cc1c(Br)cccc1C(=O)N1CC[C@H](N=[N+]=[N-])C1 1912172428 UJOCAZUOAFAXMB-VIFPVBQESA-N 309.167 3.282 10 10 DGCE COc1ccc(/C(C)=C\C(=O)N2Cc3cccc(O)c3C2)cc1 1455036694 JCFUDFZIOHAZLI-RAXLEYEMSA-N 309.365 3.347 10 10 DGCE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)N(c2ccc(CN)cc2)C1 1921427925 ZAVPKIIGQLXUNN-ZWKOTPCHSA-N 323.484 3.492 10 10 DGCE CCCCC[C@H](O)C(=O)N(CCCC)Cc1ccccc1O 1568137176 HMSGWSOIOJQVGY-KRWDZBQOSA-N 307.434 3.462 10 10 DGCE CN(Cc1cc(Cl)cc(Cl)c1O)[C@H]1CCCNCC1 231457859 CUKIRBOVPQWYSQ-LBPRGKRZSA-N 303.233 3.273 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1CC[C@@H](C)C1 1673745655 VPBGJFBUOPFBBV-UKPHBRMFSA-N 317.477 3.480 10 10 DGCE CN(CCOCC1CC1)c1ccc(CN)cc1C(F)(F)F 163732216 LNQUVUSLGVAPEA-UHFFFAOYSA-N 302.340 3.027 10 10 DGCE CN(Cc1ccccn1)c1ccc(/C=C/C(=O)O)cc1Cl 164352802 MNBVDSMXXOZNEC-SOFGYWHQSA-N 302.761 3.469 10 10 DGCE CC(C)NC(=O)[C@@H]1CCc2c(c3cc(Cl)ccc3n2C)C1 1858153630 OXQQVANGRBYQRS-LLVKDONJSA-N 304.821 3.461 10 10 DGCE CCC1=NN(CC(C)C)C(=O)/C1=C/c1ccc2c(c1)OCCO2 1865671529 GYPGVFXKZKUFIV-NTEUORMPSA-N 314.385 3.105 10 10 DGCE Oc1c(Br)cccc1CN[C@@H]1C(F)(F)C12CC2 1876228352 LRJQAAXBBLQIMX-JTQLQIEISA-N 304.134 3.042 10 10 DGCE CO[C@H]1[C@@H](NCc2cc(Br)ccc2O)CC1(C)C 1974252508 LPAWMYRFKCJCLI-AAEUAGOBSA-N 314.223 3.058 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC[C@H]2Nc2ccccc2N)C1 1977678280 MMRANINTDWRNSU-GZBFAFLISA-N 317.433 3.326 10 10 DGCE CC(C)(C)OC(=O)N1CC2(CC(COc3ccc(N)cc3)C2)C1 1992460708 OPJOWZORLVKGLU-UHFFFAOYSA-N 318.417 3.295 10 10 DGCE Cc1ccc(O)c([C@@H](C)Nc2c(Br)cnn2C)c1 2038257198 KOALNQRJKWMGCA-SECBINFHSA-N 310.195 3.370 10 10 DGCE CCCN[C@@]1(CO)CCC[C@H](CSc2nccs2)C1 403077715 YRWJZLBMLHZUQR-JSGCOSHPSA-N 300.493 3.156 10 10 DGCE Cc1nc(CSCCC(=O)Nc2ccc(N)cc2)cs1 701184248 QZWNYBDPXSUERP-UHFFFAOYSA-N 307.444 3.296 10 10 DGCE NCc1ccc(N2CCC[C@H]2C2CC2)c(F)c1Br 706663069 AAPCLNFKOQVNOC-NSHDSACASA-N 313.214 3.426 10 10 DGCE CNCc1ccc(N2CCC[C@H](F)C2)c(Br)c1 689453669 UKIFCYFGMDERPZ-NSHDSACASA-N 301.203 3.107 10 10 DGCE CN(C)c1ccc([C@@H](N)c2sncc2Br)cc1 712204180 JXYJLEYSZOTDLU-LLVKDONJSA-N 312.236 3.020 10 10 DGCE CC(C)Cc1cc(C(=O)O)n(Cc2c(O)cccc2Cl)n1 2069883526 HQJMPBDYTSMZNH-UHFFFAOYSA-N 308.765 3.187 10 10 DGCE COc1ccc(O)c(Cn2nc(-c3ccccc3)cc2C=O)c1 2070045579 MVMKCLJOPIMDJA-UHFFFAOYSA-N 308.337 3.125 10 10 DGCE CN[C@@H](C)c1ccc(N(C)[C@@H](CCO)C(F)F)c(Cl)c1 2178502384 YVACMDWLTXOJEU-ZANVPECISA-N 306.784 3.073 10 10 DGCE C[C@@H]1C[C@H]1CS(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1 2046139230 ZEFRSHDMVFOXKU-RQJHMYQMSA-N 310.202 3.097 10 10 DGCE Cc1ccc(Br)c(N(C)Cc2ccccc2O)n1 2072466196 BVLATZYMLAEXSK-UHFFFAOYSA-N 307.191 3.495 10 10 DGCE C[C@H]1C[C@H](CN)CCN1Cc1cc(Cl)cc(Cl)c1O 2091833064 HGDQVAZYHDUAMX-VHSXEESVSA-N 303.233 3.258 10 10 DGCE Oc1cc(Br)ccc1CNCc1cnoc1C1CC1 2093969226 XGSLRARTQZCSBJ-UHFFFAOYSA-N 323.190 3.310 10 10 DGCE Cc1cc(N2CC(SC(F)(F)F)C2)ccc1C[C@H](C)N 2237487584 KJZLIQVNZRCOHT-JTQLQIEISA-N 304.381 3.326 10 10 DGCE COc1ccc(Br)c(CNc2cnccc2C)c1O 2227748953 QXTCATVHAYQAII-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE CC[C@H](C)NCc1cnc(Sc2n[nH]c(C(C)C)n2)s1 2240000429 MZLHPLLMVIXNJU-VIFPVBQESA-N 311.480 3.424 10 10 DGCE NCc1ccc(N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@H]3C2)c(Br)c1 2264899264 WDLMGPNCORCAAN-LVEBTZEWSA-N 321.262 3.390 10 10 DGCE O=C(C=Cc1ccccc1[N+](=O)[O-])N1CCCc2cccc(O)c21 2297480029 VBPAXTWAFUKIBM-UHFFFAOYSA-N 324.336 3.293 10 10 DGCE CCN[C@H](c1ccccc1O)c1cnsc1Br 2300278019 DGLQACDLOLLRGW-LLVKDONJSA-N 313.220 3.310 10 10 DGCE Oc1c(F)cc(Br)cc1CN(CCF)CCF 2301648635 WLOAFMBJXVSDOA-UHFFFAOYSA-N 312.129 3.035 10 10 DGCE Cc1c(CNC(=O)C=Cc2ccc(O)c(O)c2)oc2ccccc12 2307987150 HIMLFOGNIMIWPB-UHFFFAOYSA-N 323.348 3.482 10 10 DGCE Cc1ccc(CN2C(=O)[C@@H](C)C[C@H]2C)c(O)c1Br 2327801887 VURUCTZQFWTWJS-VHSXEESVSA-N 312.207 3.220 10 10 DGCE CN(c1ccc(CO)cc1Br)[C@@H]1C[C@@H]2C[C@H]1[C@H]1C[C@@H]21 2330310354 AOAIPPMITXBXIY-AYZOYYRMSA-N 322.246 3.422 10 10 DGCE Oc1ccccc1C1=NN(c2ccccc2)[C@@](O)(C(F)(F)F)C1 20446017 UYKFPRIDDUAPJS-HNNXBMFYSA-N 322.286 3.258 10 10 DGCE CN(C)c1ccc(CNC(=O)N[C@@H]2C[C@@H]2c2ccccc2)cc1 127152092 TZFDVQWMLQOJIG-QZTJIDSGSA-N 309.413 3.108 10 10 DGCE CNCc1ccc(N2CCN(Cc3ccccc3)CC2)cc1C 302933539 YCJSHHVVELKLRJ-UHFFFAOYSA-N 309.457 3.037 10 10 DGCE Oc1cccc(Cl)c1CNc1ccccc1-n1cncn1 127275026 HQXNMFOPDSEKLW-UHFFFAOYSA-N 300.749 3.238 10 10 DGCE Cc1ccc(O)c([C@@H](C)NCC(=O)Nc2ccc(F)cc2)c1 185243330 KAYZKHDKSPXSHU-GFCCVEGCSA-N 302.349 3.129 10 10 DGCE Nc1ccc(CCCN2CC[C@@H](OCc3ccccc3)C2)cc1 384014303 NLAWFPRMCREKLU-HXUWFJFHSA-N 310.441 3.493 10 10 DGCE CN(C)c1ccc([C@H](Cc2cccc(F)c2Cl)NN)cc1 97779400 YDFKPSLJLGQMCW-HNNXBMFYSA-N 307.800 3.292 10 10 DGCE Cc1cncc(/C=C\C(=O)NCCCSc2nccs2)c1 255378362 BZHKTIJWTIYBPY-ARJAWSKDSA-N 319.455 3.158 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCC(C)(C)O1 278418942 IEJNVVSOSIBOHX-INIZCTEOSA-N 304.434 3.059 10 10 DGCE Cc1nc(CN)ccc1[C@H](C)NCc1ccc2c(c1)CCCN2C 817899560 HCANJJJCZGLFSH-AWEZNQCLSA-N 324.472 3.082 10 10 DGCE CC[C@@H]1C[C@@H](NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCO1 817165088 JIZWTKRUQUUMAT-JLJPHGGASA-N 319.449 3.070 10 10 DGCE COc1cc(CN(C)c2ccc([C@H](C)N)cc2Cl)sn1 722397919 YVUSWYVMRHFXLV-VIFPVBQESA-N 311.838 3.461 10 10 DGCE O=C(Nc1ccccc1C(F)(F)F)c1cc(O)c(O)c(O)c1 586737708 XKGZWXHURWIIJF-UHFFFAOYSA-N 313.231 3.075 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@H](C2CC2)[C@@H](CO)C2CC2)cc1 835053484 CXDZFXDHGUZFCD-YIYNPQHWSA-N 314.473 3.153 10 10 DGCE CC[C@H](CNC/C=C\c1ccc(N(C)C)cc1)N1CCCC1 835035930 LQGOQYRKMCJNLK-JTHGQSKGSA-N 301.478 3.230 10 10 DGCE CCc1cccc(CN2CC[C@@H](C(=O)OC(C)(C)C)C2)c1O 848888295 RGQCKOIQXGLLSD-OAHLLOKOSA-N 305.418 3.118 10 10 DGCE C[C@@H](NCc1cc2c(cc1O)OCO2)C1CCC(F)(F)CC1 848575264 NJGWWLPCOGPOFL-SNVBAGLBSA-N 313.344 3.425 10 10 DGCE CC(C)c1noc([C@@H](C)N2CCCc3cc(CN)ccc32)n1 843349811 DMBPQKVOQMKQNN-GFCCVEGCSA-N 300.406 3.166 10 10 DGCE COc1ccc(O)c([C@@H](C)N[C@@H](C2CCOCC2)C2CC2)c1 846043288 WRTWBSPVSGCKPS-KZULUSFZSA-N 305.418 3.257 10 10 DGCE C[C@@H]1C[C@H]1[C@@H](C)NCc1ccc(N2CCC(CO)CC2)cc1 840719971 XKSWIXQWADARLA-SPYBWZPUSA-N 302.462 3.029 10 10 DGCE O=C(O)CC[C@H](Cc1ccccc1)NCc1cc(F)ccc1O 840998763 WHPLIORLNZQXRD-MRXNPFEDSA-N 317.360 3.097 10 10 DGCE CCOc1cccc(CN[C@@H](C)[C@](C)(O)c2ccccc2)c1O 846034703 BMZPQCRJGIPVOV-LIRRHRJNSA-N 315.413 3.177 10 10 DGCE C[C@@H](NC[C@]12OCCC[C@H]1C2(F)F)c1cc(F)cc(F)c1O 850533013 QXJBZCQWGQUDTO-RGZBUGHASA-N 319.298 3.135 10 10 DGCE CCN(CC)c1ccc(CNCCO[C@@H]2CC2(F)F)cc1F 850365337 GFWADISWCSMRQP-OAHLLOKOSA-N 316.367 3.186 10 10 DGCE CCc1nc(CN[C@@H](C)c2cc(C(=O)OC)ccc2O)cs1 756556963 YPJLKKDNNBHVBJ-JTQLQIEISA-N 320.414 3.049 10 10 DGCE COc1ccc(N2CC[C@H](Nc3nc(C4CCC4)no3)C2)cc1 853760684 NNWSHZYGPMZSBC-ZDUSSCGKSA-N 314.389 3.037 10 10 DGCE COc1cccc2c1[C@@H](C(=O)NCc1cc(C)ccc1O)CC2 862755829 ZGJFZWMRIZCWAN-HNNXBMFYSA-N 311.381 3.055 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CC3(C2)CC(F)(F)C3)c1O 761115343 RJZVHALTBPMCLI-UHFFFAOYSA-N 315.747 3.479 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1[C@H]2C[C@@H]3CO[C@@H]1[C@H]3C2 865694095 SNTSPPPGRUMIJU-LXPNIQKUSA-N 314.212 3.212 10 10 DGCE CC[C@@H](NC(=O)c1cc(O)cs1)c1cccc(OC)c1OC 871278547 PSDUHGDPCMEMQK-GFCCVEGCSA-N 321.398 3.352 10 10 DGCE CC[C@@H](NCCC[C@H]1CCOC1=O)c1ccc(N(C)C)cc1 872115550 IFLDHWGUXKLVCV-DOTOQJQBSA-N 304.434 3.137 10 10 DGCE CC(C)OCc1ccc(C(=O)N2Cc3cccc(O)c3C2)cc1 871198494 JXMIYYVPBCDIFA-UHFFFAOYSA-N 311.381 3.473 10 10 DGCE CCOC(=O)CN(Cc1ccc(N(C)CC)cc1)C(C)(C)C 773767713 ZNBBCFJRMLQINU-UHFFFAOYSA-N 306.450 3.306 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)C(C)(C)C(F)(F)F)c1 1123669069 KOKMMBYMVXRURH-MRVPVSSYSA-N 305.296 3.167 10 10 DGCE CCOC(=O)CC1(NCc2cccc(Cl)c2O)CCCC1 789778130 DPIPTRMCBCSJIH-UHFFFAOYSA-N 311.809 3.401 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1cc(F)ncc1C 896056451 GBINLEKZRQVDQY-UHFFFAOYSA-N 302.349 3.287 10 10 DGCE C[C@@H](O)c1ccc(N2CCC[C@H](F)C2)cc1Br 689390048 VLKMOKSKKQEHFS-ZJUUUORDSA-N 302.187 3.441 10 10 DGCE Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2)c(N)c1Cl 1135643555 VNSSGKSQJKSZHA-UHFFFAOYSA-N 317.820 3.227 10 10 DGCE Cc1cc(C)c(O)c(CN2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c1 797418760 VQGYCCGUBOSNMC-TXPKVOOTSA-N 319.445 3.167 10 10 DGCE CC(C)C1CCC(CNC(=O)c2c(F)ccc(O)c2O)CC1 1306710988 RGADCZUHDQQCQY-UHFFFAOYSA-N 309.381 3.429 10 10 DGCE C[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@H]1c1ccccc1 1303504816 HRVNDVHHHBNPDW-BFUOFWGJSA-N 311.381 3.250 10 10 DGCE C[C@H](N[C@H](C)c1ccccc1O)C(=O)Nc1cc(F)ccc1F 1175418465 LCMVRVLTQCLJGL-MNOVXSKESA-N 320.339 3.348 10 10 DGCE C[C@H](CN1CCC[C@H](N=[N+]=[N-])C1)C(=O)OCc1ccccc1 1912153370 GEEPDNCXIHKASM-HIFRSBDPSA-N 302.378 3.141 10 10 DGCE CN[C@H](c1ccccc1O)[C@]1(C)CCN1C(=O)OC(C)(C)C 1912908716 AWVUUJWUVMIYEH-PBHICJAKSA-N 306.406 3.052 10 10 DGCE Cc1ccc(C2=CCN(C(=O)c3cc(O)cs3)CC2)cn1 1295664020 BNONTKQCGQAZHN-UHFFFAOYSA-N 300.383 3.087 10 10 DGCE CCOc1ccc(N(C/C=C(\C)C(=O)OC)CC2CC2)cc1 1473717206 AFCOKAWOJDAVKK-SDNWHVSQSA-N 303.402 3.421 10 10 DGCE Cc1ccccc1C[C@H](C)C(=O)NCc1c(O)cccc1F 1558454226 BXOYFVLDPMDUIJ-ZDUSSCGKSA-N 301.361 3.335 10 10 DGCE CCCn1c(C2CCC2)nnc1N(C)Cc1ccccc1O 1728114089 CJGBYUDBWVPVAV-UHFFFAOYSA-N 300.406 3.298 10 10 DGCE CN[C@H](c1ccccc1O)C(C)(C)CNC(=O)OC(C)(C)C 1928466352 DDDCIVZEASEFPK-CQSZACIVSA-N 308.422 3.204 10 10 DGCE Cc1cc(F)ccc1C(=O)NCc1ccc2cccnc2c1O 1570533978 ZEPPGABXDZGMOA-UHFFFAOYSA-N 310.328 3.318 10 10 DGCE COc1ccc(N(C)CCOCc2ccccc2)c(OC)c1 1657868739 AYIOQLMPOUQFMB-UHFFFAOYSA-N 301.386 3.357 10 10 DGCE CS[C@H](C)CCNCc1cc(Br)ccc1O 163764434 UCFVOLSVUUFCAF-SECBINFHSA-N 304.253 3.386 10 10 DGCE CCN(C)Cc1c(O)ccc2ccc(O)c(CN(C)CC)c12 152365932 MTFRUAZZLXCYIA-UHFFFAOYSA-N 302.418 3.154 10 10 DGCE C[C@H](CCNC(=O)OC(C)(C)C)N[C@H](C)c1c(O)cccc1O 1937018906 MUUVERHFMTXWSS-VXGBXAGGSA-N 324.421 3.052 10 10 DGCE C[C@H](N[C@H](C)CCNC(=O)OC(C)(C)C)c1ccc(O)cc1O 1937019636 USZBCGSDIVKBQJ-NEPJUHHUSA-N 324.421 3.052 10 10 DGCE Cc1ccc(O)c(CNCCC(=O)Nc2ccc(C)c(F)c2)c1 1857854132 PPLMHOWKCGOIHW-UHFFFAOYSA-N 316.376 3.267 10 10 DGCE C[C@H]1CN(c2ccc(N)cc2)C(C)(C)CN1C(=O)OC(C)(C)C 1977960409 LGKNMWKIYLWYAO-ZDUSSCGKSA-N 319.449 3.493 10 10 DGCE Cc1nc(Br)sc1CN(C)CCCN=[N+]=[N-] 1986103210 KVVZIWVJJGAUAD-UHFFFAOYSA-N 304.217 3.346 10 10 DGCE COCCNCc1ccc(N2CCCSCC2)c(Cl)c1 163974513 HKDFVAFCGHBLCB-UHFFFAOYSA-N 314.882 3.019 10 10 DGCE C[C@]1(C(F)F)C[C@@H]1NCc1ccc(Br)cc1O 2008238038 QCDVHXBLYWILNS-JQWIXIFHSA-N 306.150 3.288 10 10 DGCE CO[C@H](C1CC1)C(F)(F)CNCc1cccc(Cl)c1O 2155493684 ACMWRLUJGDNATC-CYBMUJFWSA-N 305.752 3.196 10 10 DGCE CCN(C[C@@]1(Br)CC1(F)F)c1ccc(N)cc1 2023771795 BJJIFEWLOYNJHZ-NSHDSACASA-N 305.166 3.268 10 10 DGCE CCN(Cc1cccc(Br)c1O)[C@@H]1CCCOC1 402753746 MJKQUOOBOJWYFL-GFCCVEGCSA-N 314.223 3.156 10 10 DGCE Cc1oc(Br)cc1C(=O)N1CCC[C@H](N=[N+]=[N-])C1 403622229 NCPPKPKEPZVFQZ-QMMMGPOBSA-N 313.155 3.265 10 10 DGCE C[C@@H](NCc1cc(Cl)cc(Br)c1O)C(C)(C)O 708197371 PCERCBIXGFMUEF-SSDOTTSWSA-N 322.630 3.057 10 10 DGCE CCc1nnc(SCc2cc(CNC)ccc2OC)s1 829417584 XCBUHXAEECZJCB-UHFFFAOYSA-N 309.460 3.121 10 10 DGCE CCC[C@@H]1CCOCCN1c1cc(Cl)c(CN)cc1F 2177390626 ZDSTYEMIICLZSP-GFCCVEGCSA-N 300.805 3.333 10 10 DGCE COc1ccc(O)c([C@H](C)n2nc(-c3ccccc3)cc2N)c1 2070175884 YOUUYDBMUGLIDW-LBPRGKRZSA-N 309.369 3.456 10 10 DGCE OCc1cc(-c2ccccc2)nn1Cc1ccc(Cl)cc1O 2070178009 IVBAKLYHOLPGOH-UHFFFAOYSA-N 314.772 3.450 10 10 DGCE Cc1ccc([C@H](C)n2nc(C(C)(C)C)c(C(=O)O)c2N)c(O)c1 2079033681 ZMRVWSFWBNATNS-JTQLQIEISA-N 317.389 3.084 10 10 DGCE COc1ccc([C@@H](C2CC2)n2nc(C)c(C=O)c2Cl)c(O)c1 2079955626 DDFRPPRRBZGLOO-OAHLLOKOSA-N 320.776 3.371 10 10 DGCE CN(c1ccc(CO)cc1F)[C@H]1CS[C@@H](C(F)(F)F)C1 2189473750 LHGNSLQRUPKARZ-BXKDBHETSA-N 309.328 3.191 10 10 DGCE C[C@@H](N)c1ccc(N2CC[C@H](c3nncs3)C2)c(Cl)c1 2196548084 IKAPLZTWLWQPNJ-KOLCDFICSA-N 308.838 3.205 10 10 DGCE CO[C@@H](C)CCN(C)c1ccc([C@@H](C)N)c(Br)c1 2059359946 QWLJTRCTKUTXBZ-WDEREUQCSA-N 315.255 3.330 10 10 DGCE CCc1ocnc1CN(C)c1ccc(CN)cc1Br 2104089059 YQDMLWUWHYINIF-UHFFFAOYSA-N 324.222 3.095 10 10 DGCE COc1cccc(O)c1CNCc1ccc(Br)cc1 2104443360 YIHOBGMAYPPPMB-UHFFFAOYSA-N 322.202 3.453 10 10 DGCE COc1ccc(N(C)C[C@@H](O)COCc2ccccc2)c(C)c1 2210881022 LTGXPJVGMUUYGD-QGZVFWFLSA-N 315.413 3.018 10 10 DGCE CCOc1ncc(CN(C)c2ccc(CN)c(Cl)c2)s1 2239973588 SORVVHHYJRDGBK-UHFFFAOYSA-N 311.838 3.290 10 10 DGCE Cc1cc(N2CC(N(C)Cc3ccccc3)C2)ccc1[C@@H](C)O 2243958934 SPDHXJZIFDJAMW-MRXNPFEDSA-N 310.441 3.369 10 10 DGCE CNc1ccc(C(=O)NCc2cnc(SC)s2)cc1C 2284726987 UEIQKAIAKZVMAU-UHFFFAOYSA-N 307.444 3.145 10 10 DGCE COc1cc(OC)c(N(CC(C)C)C[C@H](C)O)cc1Cl 2287945953 DGZSMCIPSANFGX-NSHDSACASA-N 301.814 3.200 10 10 DGCE Cn1cc(C=CC(=O)N2CCOc3ccncc32)c2ccccc21 2297806551 KCFLSWOUIWUCDN-UHFFFAOYSA-N 319.364 3.012 10 10 DGCE CCn1ncc2ccc(NC(=O)C=Cc3ccc(O)c(O)c3)cc21 2307996520 MMTFEJFZETWJCR-UHFFFAOYSA-N 323.352 3.119 10 10 DGCE CO[C@H]1CCC[C@@H]1OC(=O)c1cc(C)n(-c2ccccn2)c1C 111972638 ACVRGJHQQWVLQI-HOTGVXAUSA-N 314.385 3.213 10 10 DGCE CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/N1CCCCC1 101114431 IJNXCNYUQLOZAR-RVDMUPIBSA-N 303.793 3.432 10 10 DGCE Nc1ccc(CC(=O)N[C@@H](c2ccccc2)c2cccnc2)cc1 178760604 HWRXBJHEQBUTLT-FQEVSTJZSA-N 317.392 3.112 10 10 DGCE CC(F)(F)c1csc(CNCc2cc(F)ccc2O)n1 2360829604 AZVZQTVKDUNDAG-UHFFFAOYSA-N 302.321 3.389 10 10 DGCE COc1ccc(Cc2noc(-c3ccc(C)c(O)c3O)n2)cc1 189932773 OHMCDZLVXWPCMT-UHFFFAOYSA-N 312.325 3.056 10 10 DGCE CCNCc1ccc(OC)c(C[S@@](=O)C2CCCCC2)c1 84041463 XQVQVBSTSLICSX-NRFANRHFSA-N 309.475 3.386 10 10 DGCE CN(C)c1ccc([C@@H](N)Cc2ccc(Br)cn2)cc1 97416376 RSMZZZUDBWNFBY-HNNXBMFYSA-N 320.234 3.153 10 10 DGCE CNCc1ccc(N2CCSC[C@H]2C)cc1Br 234371125 WYPBAJJCQSVVCH-SNVBAGLBSA-N 315.280 3.110 10 10 DGCE Cc1ccc(O)c(CN2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)c1 92094918 QTAKTAXVDKZVAH-RHSMWYFYSA-N 319.351 3.287 10 10 DGCE CC1(C)C[C@@H](C(=O)NCc2cc(Cl)ccc2O)C(C)(C)O1 529511637 KAFFHUFNKFBQDV-LBPRGKRZSA-N 311.809 3.256 10 10 DGCE Cc1cc(C(=O)N(C)CC(C)(C)CN)c(C)n1-c1ccccc1 262589780 ZRERBLNZYPZQMM-UHFFFAOYSA-N 313.445 3.151 10 10 DGCE CCOc1cc(CNCCOC)ccc1N1CCC[C@@H](C)C1 212710594 NIEZNMKDWSUCJY-OAHLLOKOSA-N 306.450 3.058 10 10 DGCE CN(C)c1ccc(CNc2cn(C)nc2-c2ccccn2)cc1 376507400 VJCGHMFZSNULJZ-UHFFFAOYSA-N 307.401 3.160 10 10 DGCE Cc1cccc(CN[C@@H](C)c2ncc(Br)cn2)c1O 816627696 URKHTBGKWLAOCO-JTQLQIEISA-N 322.206 3.104 10 10 DGCE C[C@@H](N[C@@H]1CCCN(C)C1)c1cccc(C(F)(F)F)c1O 815563995 UPOZNXXKNZXANP-GHMZBOCLSA-N 302.340 3.156 10 10 DGCE CN(C)c1ccc(CN2CCOC[C@H]2CC2CCC2)cc1F 816667615 RLMBYAPWZMESMX-MRXNPFEDSA-N 306.425 3.283 10 10 DGCE Cc1cc(CN2CCc3cc(Cl)nnc3C2)ccc1N(C)C 829175936 NQPQWTJUPKNBFN-UHFFFAOYSA-N 316.836 3.063 10 10 DGCE CC[C@@H](C)[C@H](N)c1cc([N+](=O)[O-])cc(Br)c1O 725437190 ARCAAOUKPPKDLK-LDWIPMOCSA-N 303.156 3.109 10 10 DGCE CC[C@H](C)[C@H](N)c1cc([N+](=O)[O-])cc(Br)c1O 725437193 ARCAAOUKPPKDLK-WKEGUHRASA-N 303.156 3.109 10 10 DGCE CN1CCC(C)(CNC/C=C\c2ccc(N(C)C)cc2)CC1 835043668 BAMXOSZWFXAHGO-WAYWQWQTSA-N 301.478 3.087 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2CCCN(CCCCN=[N+]=[N-])[C@@H]2C1 1895302272 VPZOFGJVPLWDRJ-UONOGXRCSA-N 323.441 3.408 10 10 DGCE CC(C)(C)OC(=O)Nc1ccc([C@@H]2CC(F)(F)CN2)c(O)c1 1952915804 HKJNOZVIFOCPLI-NSHDSACASA-N 314.332 3.409 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H](F)[C@H]1COc1ccc(N)cc1 1953062120 CAELJGPXZKXTGS-LSDHHAIUSA-N 324.396 3.385 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2C[C@H]2C2CCCC2)c1 845834342 SLRVMJDGJJKXGW-KNXALSJPSA-N 303.402 3.404 10 10 DGCE Cc1ccc([C@H](C)N[C@H]2CCC[C@@H]2Cc2cnn(C)c2)c(O)c1 850540582 NHESMJQFDMFLSP-LESCRADOSA-N 313.445 3.496 10 10 DGCE OC[C@H]1CN(c2ccc(OCc3ccccc3)cc2)CC12CC2 1899871266 VQCCFDMRXMDQPS-QGZVFWFLSA-N 309.409 3.474 10 10 DGCE CCOC1(C(=O)NCc2cc(Cl)cc(Cl)c2O)CCC1 854474488 MDHPCMWJHUMRKR-UHFFFAOYSA-N 318.200 3.274 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)c3cccc(C)c3C)C2)cc1 855234827 NTRBYZXSMRKFLA-INIZCTEOSA-N 324.424 3.321 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)N[C@H](c1ccccn1)C1CCC1 862744830 IBYGHYFBCYBXNO-QIBOZCLASA-N 324.380 3.164 10 10 DGCE CC/C(C)=C(/C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 779717464 BOBKTLVPRNFMIR-PFONDFGASA-N 302.418 3.090 10 10 DGCE CN1CCN(c2ccc(CN[C@H]3CC4CCC3CC4)cc2)CC1 771848947 VQDAEEIICVFHTC-NLPFYKDJSA-N 313.489 3.107 10 10 DGCE Cc1cc(C(=O)NC(C)(C)[C@H](C)O)c(C)n1-c1ccc(F)cc1 770439356 CSUDDDRUMPDDJG-ZDUSSCGKSA-N 318.392 3.122 10 10 DGCE CC[C@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(F)(F)F 786817756 WBCBAVCKGRTBAH-MFKMUULPSA-N 317.355 3.454 10 10 DGCE CCOCCCNC[C@H]1CCN(c2ccc(OC(C)C)cc2)C1 76376370 SJRBPQSHVHMCDD-QGZVFWFLSA-N 320.477 3.316 10 10 DGCE CCc1cccc(CNC[C@H]2CCC3(CCOCC3)CO2)c1O 895536340 KNASERCGEPJNKD-QGZVFWFLSA-N 319.445 3.020 10 10 DGCE C[C@H]1OCC[C@H]1NCc1cc(Cl)cc(Br)c1O 708055349 CWPAVQIJGUPQIB-RDDDGLTNSA-N 320.614 3.075 10 10 DGCE COC(=O)CC1(NCc2cc(Cl)cc(F)c2O)CCCC1 793232581 YWZONOGOWQKFQO-UHFFFAOYSA-N 315.772 3.150 10 10 DGCE OC[C@H]1CCC[C@H]1CNCc1cc(Cl)cc(Cl)c1O 89494889 GTQWOTWAGUSFTI-VHSXEESVSA-N 304.217 3.197 10 10 DGCE COc1cc(Cl)cc(CNC[C@@H]2C[C@H]2C(F)(F)F)c1O 896862473 FLMIDGFJELGCSW-OIBJUYFYSA-N 309.715 3.342 10 10 DGCE C[C@@H](NC(=O)c1cnccc1C(F)(F)F)c1ccccc1O 1302532729 QBKVLDWBQUUCLM-SECBINFHSA-N 310.275 3.297 10 10 DGCE C[C@@H](NCCc1nc(-c2ccccc2)no1)c1ccccc1O 1175419873 YYBYMOYZNGQZSO-CYBMUJFWSA-N 309.369 3.336 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)C1(C(F)F)CC1 1264287444 YCCGLKKJRNZIOF-UHFFFAOYSA-N 308.372 3.291 10 10 DGCE CCCC(=O)N1CC[C@](C)(CNCc2ccc(OC)c(C)c2)C1 1270672981 UMOILKYYSCWHFV-LJQANCHMSA-N 318.461 3.132 10 10 DGCE CNCc1ccc(N(Cc2ccccc2)[C@H](CO)C2CC2)cc1 1915216663 JOBXQQKQGPUBMW-HXUWFJFHSA-N 310.441 3.184 10 10 DGCE Cc1cc(C(=O)N2CCCCN2)c(C)n1-c1ccc(Cl)cc1 1467841439 SBDBPVWQFVZQJM-UHFFFAOYSA-N 317.820 3.488 10 10 DGCE CC(C)[C@H]1C[C@](N)(c2ccccc2O)CN1Cc1ccccc1 1920152327 HJOAWBIAQJSUJQ-UYAOXDASSA-N 310.441 3.477 10 10 DGCE CCOC(=O)CN(Cc1ccccc1O)C[C@@H]1CC[C@H]2C[C@H]2C1 1473572450 TXPCJJGGAHTCSG-HLLBOEOZSA-N 317.429 3.194 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCCC[C@H]2C)cc1 1616534003 MLLUCJNQMDQFDT-CRAIPNDOSA-N 318.461 3.416 10 10 DGCE CSc1cc(NCc2c(O)cccc2F)nc(SC)n1 1472883143 HJMMZYUFWUADOD-UHFFFAOYSA-N 311.407 3.377 10 10 DGCE CC/C(C)=C\C(=O)NC/C=C/CNCc1ccc(OC)c(C)c1 1716291167 LBIHXQIDHVPDQY-JMGLOCJTSA-N 316.445 3.122 10 10 DGCE C[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1O 1557965485 FTWMDBNKNDNUTF-JATZPVMKSA-N 312.325 3.191 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H](O)CC(C)C)cc1 1635705145 PVDQCJSZVVVFLQ-GOSISDBHSA-N 314.429 3.231 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC/C=C\Cl 1638867717 AEGJTUXIIGEHNP-WTKPLQERSA-N 307.825 3.181 10 10 DGCE CCC[C@H](C[C@@H](N)c1ccccc1O)NC(=O)OC(C)(C)C 1928469465 IJSIADFZUUAFLO-TZMCWYRMSA-N 308.422 3.476 10 10 DGCE O=C(c1cc2cc(O)c(O)cc2s1)N1C[C@H]2CCCC[C@H]21 1640826923 ZWBKDECGNWGTSJ-MWLCHTKSSA-N 303.383 3.327 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]([C@@H](N)c1ccccc1O)C(C)(C)F 1962150788 MAFPWRVXQFHYRV-STQMWFEESA-N 312.385 3.033 10 10 DGCE C/C(NC1CC1)=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1 17054327 LGWMTLMPTOELIH-NBVRZTHBSA-N 317.392 3.464 10 10 DGCE COc1ccc(NN=NCc2ccc3c(c2)OCO3)c(OC)c1 1860491591 OWJHFCUQHJZZEC-UHFFFAOYSA-N 315.329 3.412 10 10 DGCE CC(C)CN(Cc1ccccc1)c1ccc2c(c1)N(C)C(=O)[C@H]2O 1946741263 KDZYPFFAMNLEBC-IBGZPJMESA-N 324.424 3.359 10 10 DGCE NCc1ccc(N2CCN(Cc3ccccc3)C3(CCC3)C2)cc1 1947794319 CBCIRLLFYARRGM-UHFFFAOYSA-N 321.468 3.390 10 10 DGCE C[C@@H]1CCN(Cc2ccccc2)CCN1CCc1ccc(N)cc1 1947746343 MICJBJSPRQUYNO-GOSISDBHSA-N 323.484 3.408 10 10 DGCE CCC1(F)CN(c2ccc(CNCCOC)cc2Cl)C1 2149825993 ZMYSLKCQDGPKDI-UHFFFAOYSA-N 300.805 3.014 10 10 DGCE C[C@H](CCNC(=O)OC(C)(C)C)[C@@H](N)c1ccc(N(C)C)cc1 1977944589 HXCDAZWJPJZXHL-CZUORRHYSA-N 321.465 3.303 10 10 DGCE Cc1cccc(CN[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c1O 155094901 QYOLYXLEPBFDIA-QFBILLFUSA-N 310.441 3.311 10 10 DGCE N[C@@H]1CCc2cc(N3CC[C@H](OCc4ccccc4)C3)ccc21 1986608450 DZUNQNYCODSLRM-AZUAARDMSA-N 308.425 3.428 10 10 DGCE Nc1ccc(N[C@H]2CN(Cc3ccccc3)C[C@@H]2C(F)F)cc1 1989883847 LQRXYOGAOPRXSA-IRXDYDNUSA-N 317.383 3.446 10 10 DGCE Oc1ccccc1CNC[C@@]12CC[C@H]1CN(Cc1ccccc1)C2 2023085646 MZBAKCQPDDDWDH-PZJWPPBQSA-N 322.452 3.394 10 10 DGCE Oc1ccc(Br)cc1CNC[C@H]1CCCOCC1 2028645748 LBBZRWVLNUCPFK-NSHDSACASA-N 314.223 3.061 10 10 DGCE CC(C)N(CC(F)F)c1ccc(CN)cc1Br 386107540 OXRCVCXVQKXXEU-UHFFFAOYSA-N 307.182 3.388 10 10 DGCE CN(C(=O)c1csc(C(F)(F)F)n1)c1ccc(N)cc1 2165286429 OYLPLABKCUDURO-UHFFFAOYSA-N 301.293 3.021 10 10 DGCE Cc1sc(CC(=O)Nc2ccc(O)c(O)c2)nc1C(C)C 2062611747 UPALUTINKNXFIX-UHFFFAOYSA-N 306.387 3.167 10 10 DGCE CCOC(=O)c1cc(C2CC2)nn1Cc1cccc(Cl)c1O 2069914325 LVTBCIBCHYTPHW-UHFFFAOYSA-N 320.776 3.345 10 10 DGCE Cc1ccc(O)c(Cn2cc(C(=O)OC(C)(C)C)c(C)n2)c1 2070266249 AICHEWAULWXUPF-UHFFFAOYSA-N 302.374 3.209 10 10 DGCE CN(c1cc(Cl)c(CN)cc1F)[C@@H]1CCCOC1(C)C 2177380729 GZTMTCHKICNFIU-CQSZACIVSA-N 300.805 3.332 10 10 DGCE CN1CCc2cc([C@H](N)c3ccc(Br)o3)ccc21 2044748721 WBPWXWIKIJQPFN-AWEZNQCLSA-N 307.191 3.083 10 10 DGCE CNCc1ccc(N2CCCC[C@H]2CF)cc1Br 2051770923 VWBLFHYJMYYYRF-ZDUSSCGKSA-N 315.230 3.497 10 10 DGCE CCN[C@H](C)c1cc(F)c(N2CC(CSC)C2)c(F)c1 2194698134 UPUAGVPBAJMUAI-SNVBAGLBSA-N 300.418 3.435 10 10 DGCE CN(C[C@](C)(F)C(F)(F)F)c1ccc(CN)c(F)c1F 2191864717 KMUDYHZVKZRQHA-NSHDSACASA-N 300.246 3.150 10 10 DGCE Oc1cc(Br)ccc1CN[C@@H]1CC12CC(F)(F)C2 2069061731 ZRBQYALMCPGEHA-LLVKDONJSA-N 318.161 3.432 10 10 DGCE CCCc1c(Cl)nc[nH]c1=NCc1cnc(SC)s1 2269276337 DEAFIGJPHWHDMZ-UHFFFAOYSA-N 314.867 3.295 10 10 DGCE C[C@@H](NCc1conc1Br)c1ccc(F)cc1O 2222989800 UKGJROPCNMCDKC-SSDOTTSWSA-N 315.142 3.133 10 10 DGCE CN(c1ccc(CN)c(Br)c1)[C@H]1CC2C[C@@H]3C1[C@@H]3C2 2264492617 MTPKVFYHKMYGBF-YLMRQHARSA-N 321.262 3.389 10 10 DGCE CC[C@@H]1CN[C@@](C)(C2CC2)CN1Cc1cnc(SC)s1 2284675613 BTNZDHYBGOZDJO-IUODEOHRSA-N 311.520 3.218 10 10 DGCE COC[C@@]1(C)C[C@H]1CN(C)c1cc(Cl)c(CN)cc1F 2284730313 WPLZXVRPWMHZAK-XHDPSFHLSA-N 300.805 3.047 10 10 DGCE CN(Cc1ccc(Cl)cc1)C(=O)C=Cc1ccc(O)c(O)c1 2307981896 BSVGLQMXADVRQS-UHFFFAOYSA-N 317.772 3.423 10 10 DGCE Cc1ccc(CN[C@H](C)C2CSC2)c(O)c1Br 2307566048 DFYFSFMNTZCWNJ-SECBINFHSA-N 316.264 3.304 10 10 DGCE COc1ccc(N2CC3(CCOCC3)C2)cc1Br 2317482724 OPLDNKBRPZEASW-UHFFFAOYSA-N 312.207 3.075 10 10 DGCE CCCC1=NN(c2ccccn2)C(=O)C1=Cc1ccc(O)cc1O 2332096062 RGQAUDWJPMJKTJ-UHFFFAOYSA-N 323.352 3.079 10 10 DGCE CC[C@H]1C[C@H](NCc2ccc(C)c(Br)c2O)CO1 2327793365 UQFZNQCABPJTPC-RYUDHWBXSA-N 314.223 3.120 10 10 DGCE Cc1ccc(CNC[C@H]2[C@@H](C)C2(F)F)c(O)c1Br 2327793316 ULFJOSPBEVSVMJ-SCZZXKLOSA-N 320.177 3.454 10 10 DGCE CCOc1ccc(N2CC[C@H]([C@](C)(O)C(F)(F)F)C2)cc1 107946550 RWQHDVAKLAPLKN-FZMZJTMJSA-N 303.324 3.225 10 10 DGCE COc1cc2c(N(C)Cc3ccccc3O)ncnc2cc1F 302493343 TWJMDBYPKKLBNF-UHFFFAOYSA-N 313.332 3.120 10 10 DGCE CC(=O)N(C(=O)NCCC1CCCCC1)c1ccc(N)cc1 217305046 ZJXBGHOFRGAUSQ-UHFFFAOYSA-N 303.406 3.302 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)NC1CCC(O)CC1 80147533 NZJYEIGZUUXRFT-UHFFFAOYSA-N 318.442 3.189 10 10 DGCE COc1cc(Cl)cc(CN[C@]2(CO)CCC[C@@H](C)C2)c1O 229051727 QIRTVHPCKQLUMD-BDJLRTHQSA-N 313.825 3.085 10 10 DGCE C[C@@H](N)c1ccc(N2CC[C@@H]3[C@@H](CCCN3C)C2)cc1Cl 220911232 KTAQKCFMVDNBRZ-IIYDPXPESA-N 307.869 3.280 10 10 DGCE Cc1cccc(CNCCN(C(=O)OC(C)(C)C)C2CC2)c1O 224734911 GWYLUTYZHMBZIP-UHFFFAOYSA-N 320.433 3.190 10 10 DGCE CC[C@@H]1CN(c2ccc([C@H](C)N)c(Br)c2)CCO1 233979958 NUXDZSZKJQPUCK-CMPLNLGQSA-N 313.239 3.084 10 10 DGCE Cc1sccc1CC(=O)N1CCOc2cc(N(C)C)ccc21 346044600 YKSHFKRGNRUWMZ-UHFFFAOYSA-N 316.426 3.091 10 10 DGCE CCN(Cc1ccccc1)C(=O)N(C(C)=O)c1ccc(N)cc1 242800420 FDQHYTVQORSESJ-UHFFFAOYSA-N 311.385 3.264 10 10 DGCE C[C@H](NC(=O)N[C@H]1CSC1(C)C)c1ccc(N(C)C)cc1 801764197 SSFPCTDSQZRZTF-FZMZJTMJSA-N 307.463 3.007 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H](O)CC[C@H]2C)cc1 817645418 CLCOQPXMWSMBHV-ACJLOTCBSA-N 312.413 3.080 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@H]2CCCC[C@H]2OC)cc1 815052408 NMHYTOPSASRJFT-ZWKOTPCHSA-N 318.461 3.354 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCC[C@@H](C)O1 822411894 QNVFUENYRNMANZ-GDBMZVCRSA-N 320.433 3.271 10 10 DGCE CN(C)c1ccc(/C=C/CN2CC[C@@H](Oc3ccncc3)C2)cc1 835051834 KIQLLCKDSYVLKW-WUUFJKRQSA-N 323.440 3.314 10 10 DGCE CC1(C2(NC(=O)NCc3ccc(N4CCCC4)cc3)CC2)CC1 837625785 GDELHXJTXNJJTJ-UHFFFAOYSA-N 313.445 3.419 10 10 DGCE C[C@@H](N[C@@H]1COCC1(C)C)c1cccc(C(F)(F)F)c1O 834903924 MGZOPFBYMUDYEK-BXKDBHETSA-N 303.324 3.487 10 10 DGCE CN(C)c1ccc(/C=C/CNC(C)(C)CN2CCCC2)cc1 835054883 MQOYRMLTKRFXGQ-BQYQJAHWSA-N 301.478 3.230 10 10 DGCE COc1ccnc(CNC(=S)Nc2cc(C)cc(C)c2)c1F 849296245 BQRWIDAXFOHYDO-UHFFFAOYSA-N 319.405 3.333 10 10 DGCE CCOc1ccc(O)c(CN[C@H](C)[C@@](C)(O)c2ccccc2)c1 846038533 MTRWNNUERYDHBC-AUUYWEPGSA-N 315.413 3.177 10 10 DGCE CCc1cccc(CNc2ccc(OCCO)c(C)c2)c1O 848901917 GGIPTQXGAXEVLZ-UHFFFAOYSA-N 301.386 3.246 10 10 DGCE CC(C)(C)OC(=O)NCCN(CCN=[N+]=[N-])Cc1ccccc1 1953146262 WSGUHQBKDDCWCJ-UHFFFAOYSA-N 319.409 3.324 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(-c2ccoc2)[nH]n1 915681265 VCZRYQPJRRKTQF-UHFFFAOYSA-N 324.384 3.008 10 10 DGCE CSC1(CNCc2c(O)cc(C)cc2Cl)CCOCC1 840904049 JFXGXTJUGJRRRQ-UHFFFAOYSA-N 315.866 3.356 10 10 DGCE CCCN(CCC)c1ccc(CN[C@H]2CCCN(C)C2)cc1 920180965 OUNULMKCGDDZDH-SFHVURJKSA-N 303.494 3.497 10 10 DGCE CO[C@@H]1CCC[C@H]([C@@H](CO)N[C@@H](C)c2ccc(C)c(C)c2O)C1 850502883 SMHMVDLRERVXST-LISAXSMJSA-N 321.461 3.226 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CCC[C@H]3COCC[C@@H]32)c1O 756900524 FKTDVKQLVXLGOT-LRDDRELGSA-N 323.820 3.249 10 10 DGCE C[C@H](NCC12CC(CN1)C2)c1ccc(Cl)c(Cl)c1O 854225961 CBXKCCLZNGHAJM-JUXJKVCFSA-N 301.217 3.102 10 10 DGCE COc1ccc(N2CC[C@@H](NCc3cccc(F)c3)C2)cc1 850346837 YDIWZXCKGLRJBW-MRXNPFEDSA-N 300.377 3.203 10 10 DGCE c1cc2n(n1)CCC[C@H]2NCc1ccc(N2CCCCC2)cc1 850431271 VNOAFXAMWUUYGQ-GOSISDBHSA-N 310.445 3.498 10 10 DGCE COC[C@@H](CCN[C@@H](C)c1ccc(Cl)c(Cl)c1O)OC 850485440 IDLZLUDAEYGXOY-VHSXEESVSA-N 322.232 3.401 10 10 DGCE O=C(O)/C=C\c1ccc(N2CC[C@@H]3C[C@H]3C2)cc1Br 699271827 HGZZWFMHMFALAI-AAJWOFDGSA-N 322.202 3.393 10 10 DGCE COc1cccc([C@@H](C)N[C@H]2C[C@@H](C(=O)OC(C)(C)C)C2)c1O 866527124 VDKGRCHCACNUJH-UPJWGTAASA-N 321.417 3.172 10 10 DGCE C[C@@H](Nc1cnn2c1CCCC2)c1cc([N+](=O)[O-])ccc1O 866460314 FXWFBKWQXJSNLI-SNVBAGLBSA-N 302.334 3.006 10 10 DGCE C[C@@H](NC[C@@H]1C[C@H]1C1CCOCC1)c1cc([N+](=O)[O-])ccc1O 866538439 SDBVOLSDGDFFEI-FFSVYQOJSA-N 320.389 3.014 10 10 DGCE Cn1c(-c2ccccc2)cnc1SCCOC1CCOCC1 863267578 FGODVFLWRYJSCZ-UHFFFAOYSA-N 318.442 3.375 10 10 DGCE CO[C@H](C)c1cccc(NC(=O)c2c(F)ccc(O)c2O)c1 789973549 HZCJTJSGVJVYNG-SECBINFHSA-N 305.305 3.197 10 10 DGCE Cc1cc(Br)c(O)c(CN2CCC(F)(F)C2)c1 781921124 SQGPYCLPZPZTMK-UHFFFAOYSA-N 306.150 3.304 10 10 DGCE CN(C)c1ccc(-c2nccn2Cc2cccc(CN)c2)cc1 82735423 RAGXFUDRSWDXKZ-UHFFFAOYSA-N 306.413 3.123 10 10 DGCE CCC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(O)cc1O 166406849 GDYISYANGFKIHU-XNTDXEJSSA-N 308.337 3.294 10 10 DGCE [N-]=[N+]=NCCN1C[C@H]2CC[C@H]1[C@H]1CN(Cc3ccccc3)C[C@H]21 707742084 ZYAAAYSKCNWGFA-BDXSIMOUSA-N 311.433 3.139 10 10 DGCE Cc1ccc([C@@H](C)NCc2cc(Br)no2)c(O)c1 718881538 LFGXNFVZQOJCHG-SECBINFHSA-N 311.179 3.302 10 10 DGCE O=C(Nc1ccc2scnc2c1)c1c(F)ccc(O)c1O 1160693097 MTRBTZCEHXWPIM-UHFFFAOYSA-N 304.302 3.099 10 10 DGCE COc1cc(C)cc(CNCc2ccc(C)nc2Cl)c1O 1332020686 CBHMQIBMGPVPFO-UHFFFAOYSA-N 306.793 3.356 10 10 DGCE CCOC(=O)[C@H](CC1CC1)NCc1ccc(N2CCCC2)cc1 1349624827 LLDOAMLZQYFRPI-SFHVURJKSA-N 316.445 3.108 10 10 DGCE COc1ccc(CN[C@H](C)CNC(=O)[C@H]2CCC2(C)C)cc1C 1266963875 IQLKNRNJYOWFPH-GDBMZVCRSA-N 318.461 3.034 10 10 DGCE COc1cccc(CNc2nc(C3CC3)nc3[nH]ccc23)c1O 1351783505 XURWXDDPFMUUAG-UHFFFAOYSA-N 310.357 3.162 10 10 DGCE CN[C@@H](C)c1ccc(N(Cc2ccccc2)C[C@H](C)O)c(F)c1 1914617139 IAWGXPHNFZHTDL-GJZGRUSLSA-N 316.420 3.494 10 10 DGCE C[C@H]1CC/C(=C/C(=O)N2CCOc3cc(N(C)C)ccc32)C1 1532657170 UXUUWJRFHCBSCE-UROBUVALSA-N 300.402 3.224 10 10 DGCE C1=CCCC(CNCc2ccc(N3CCOCC3)cc2)CC1 1474277175 ABAQPFFXJYOKDV-UHFFFAOYSA-N 300.446 3.359 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCC1(C)CC1 1545203474 JAWFWQOLNHXBFW-UHFFFAOYSA-N 310.397 3.437 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)Nc2nccc3ccncc23)cc1 1654546495 SITLETLZOQSKIM-UHFFFAOYSA-N 320.312 3.045 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)NCC12CCC(CC1)C2 1685963067 ZCGOPOXXDHBQQN-UHFFFAOYSA-N 308.809 3.425 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]2CCN(CCCN=[N+]=[N-])C[C@@H]21 1962298057 BRMHBTZACPGMFG-STQMWFEESA-N 309.414 3.018 10 10 DGCE CC[C@H](C)N(CCOC)c1ccc(CN)cc1C(F)(F)F 163701371 FDUMIJJDCRULIL-NSHDSACASA-N 304.356 3.415 10 10 DGCE CCCC1=NN(CC)C(=O)/C1=C/c1cccc(OC)c1OC 1865672407 BLDDIXLBDYOOBA-ACCUITESSA-N 302.374 3.105 10 10 DGCE C[C@@H](CCNC(=O)OC(C)(C)C)N[C@H](C)c1c(O)cccc1O 1937018904 MUUVERHFMTXWSS-NWDGAFQWSA-N 324.421 3.052 10 10 DGCE CCN[C@H](c1ccccc1O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1937073023 RMXXGGSOUWAMBJ-ZENOOKHLSA-N 320.433 3.346 10 10 DGCE C[C@@H](NCc1c(O)cccc1Br)[C@H]1CCSC1 1942257840 ZVLMVDCRACKZOR-ZJUUUORDSA-N 316.264 3.386 10 10 DGCE CC1(C)[C@@H](C(=O)O)CCN1Cc1cc(Cl)cc(Cl)c1O 1968222126 DFZFTHOTPVWBKW-SNVBAGLBSA-N 318.200 3.384 10 10 DGCE CN(CCC[C@H](O)c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C 1977937287 AZKQBAOXWVQMCC-INIZCTEOSA-N 322.449 3.433 10 10 DGCE C[C@H](N)c1cnc(Sc2ccc3c(c2)OCCCO3)s1 2159808561 BUFAZUXPJDQRJB-VIFPVBQESA-N 308.428 3.475 10 10 DGCE C[C@H](N)c1ccc(N2CCOCC[C@@H]2C)c(Br)c1 2031626980 TUEOUJGAAZZRIC-QWRGUYRKSA-N 313.239 3.084 10 10 DGCE Cc1ccc([C@H](C)N[C@H]2C[C@H]2NC(=O)OC(C)(C)C)c(O)c1 300211282 OWCCWSHCMGNITL-FPMFFAJLSA-N 306.406 3.017 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)c2occc2Br)CC1 2038000953 WRRDWAHUSQEOIF-QMMMGPOBSA-N 313.155 3.347 10 10 DGCE CN(C[C@@H]1CC[C@H]2C[C@H]21)c1ccc(CO)c(Br)c1 2040242398 YYHWZKYKSUBNAZ-COPLHBTASA-N 310.235 3.424 10 10 DGCE COc1cc(Cl)cc(CN[C@@H]2CCCSCC2)c1O 709587397 NDJCHTNILYJZFY-GFCCVEGCSA-N 301.839 3.430 10 10 DGCE C[C@@H]1OCCN([C@H](C)c2cc(Br)ccc2O)[C@H]1C 380589583 NVYUTNZFTAUYKT-AXFHLTTASA-N 314.223 3.325 10 10 DGCE CCOC(=O)c1cc(CC)nn1Cc1cccc(Cl)c1O 2069895812 ORBIDPCFXXDMDV-UHFFFAOYSA-N 308.765 3.030 10 10 DGCE CC(C)(C)c1nn(-c2ccc(O)c(O)c2)c(N)c1C(F)(F)F 2079835676 KLRFMEMYSATPEL-UHFFFAOYSA-N 315.295 3.182 10 10 DGCE CCCNCc1ccc(N2CCOC[C@@H]2CF)cc1Cl 2182601286 YMEQQVNCXFFUJQ-AWEZNQCLSA-N 300.805 3.014 10 10 DGCE CO[C@@H]1CN(c2ccc([C@@H](C)N)c(Cl)c2)CC(F)(F)C1 2185154285 MUYZWHXLWQFZCW-KOLCDFICSA-N 304.768 3.220 10 10 DGCE CO[C@H]1CC[C@@H](CNCc2cc(Br)ccc2O)C1 2054479275 RKDHFOFEXHNFGX-MFKMUULPSA-N 314.223 3.059 10 10 DGCE CC[C@@H]1CC[C@H](CN(C)c2cc(Cl)c(CN)cc2F)O1 2201398696 YUWMYSJHYREIOT-VXGBXAGGSA-N 300.805 3.332 10 10 DGCE CN(C)c1ccc(CNC[C@@]2(Br)CC2(F)F)cc1 2082495469 YQTDJAJLVVXTCN-LBPRGKRZSA-N 319.193 3.015 10 10 DGCE Cc1nc(CSCC(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])cs1 2234175542 CYEMZOBLWGGXPV-MNOVXSKESA-N 311.436 3.032 10 10 DGCE C[C@@H](CF)N(C)c1ccc(C=CC(=O)O)cc1Br 2257951708 CODATUGVHVCNGP-VIFPVBQESA-N 316.170 3.341 10 10 DGCE NCc1ccc(N2CCC[C@H](OCC(F)F)C2)cc1Cl 2279227481 IIUDGLLCVLPGGQ-LBPRGKRZSA-N 304.768 3.049 10 10 DGCE O=C1NC(=S)SC1=Cc1cc(F)cc(C(F)(F)F)c1 2302490886 LRYLMMRKCWTHGL-UHFFFAOYSA-N 307.293 3.333 10 10 DGCE Cc1ccc(CN(C)C[C@H]2C[C@@H]2F)c(O)c1Br 2307474835 XVQZEBMVPFLHFP-MNOVXSKESA-N 302.187 3.253 10 10 DGCE Oc1cccc(Br)c1CN[C@H]1C[C@@H]2C[C@H]1C[C@@H]2F 2308606653 QBDXKVMMTVVVGX-VDUILEQBSA-N 314.198 3.381 10 10 DGCE CCOC(=O)[C@@H]1CCCN(N=Nc2cc([N+](=O)[O-])ccc2C)C1 2330193798 ATILWDYILHUOMM-GFCCVEGCSA-N 320.349 3.177 10 10 DGCE CC[C@H](O)CCCNCc1ccc(C)c(Br)c1O 2327624587 SLOVWSQFJIVGGA-LBPRGKRZSA-N 316.239 3.104 10 10 DGCE CCOCCCCNCc1ccc(C)c(Br)c1O 2327792614 LYPAZLGCEAWIMX-UHFFFAOYSA-N 316.239 3.369 10 10 DGCE Cc1ccccc1CSC[C@H](O)COc1ccc(N)cc1 54963810 FVKKKNMJORPGOO-MRXNPFEDSA-N 303.427 3.250 10 10 DGCE COc1ccc(N(C[C@H](O)C(F)(F)F)[C@H](C)C2CC2)cc1 181758513 KHANLNRHUQWOCB-YGRLFVJLSA-N 303.324 3.223 10 10 DGCE Cc1cccc(N2C(=O)N=C(O)/C(=C/c3ccc(O)cc3)C2=O)c1 33246730 FIHYEPLLKDUHDI-GDNBJRDFSA-N 322.320 3.207 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)c1sccc1N 40322710 APQNKERXEJTKTB-UHFFFAOYSA-N 303.431 3.059 10 10 DGCE CCC[C@@H](O)[C@@H](N)c1ccc(OCc2ccccc2)cc1O 95823894 GBVPKWBZBPJIEE-AEFFLSMTSA-N 301.386 3.132 10 10 DGCE Cn1c(-c2ccc(O)c(O)c2)csc1=Nc1ccc(O)cc1 254834221 VTMPZYKMSOOPLN-UHFFFAOYSA-N 314.366 3.103 10 10 DGCE Cc1ccc([C@H](C)NCC2(O)Cc3ccccc3C2)c(O)c1C 363857599 CWQVHMFFDPCARP-HNNXBMFYSA-N 311.425 3.190 10 10 DGCE CC[C@@H](N[C@H]1CCc2nc[nH]c2C1)c1cc(Cl)ccc1O 810254766 RATAAMQJJXUWJW-WCQYABFASA-N 305.809 3.367 10 10 DGCE COc1ccc(N2CCN(C(=O)C(C)(C)C(C)(C)C)CC2)cc1 814211223 UGFQHVPPHZELTN-UHFFFAOYSA-N 318.461 3.416 10 10 DGCE Cc1cc(O)c(CN2CC3(CCNCC3)C[C@H]2C)c(Cl)c1 818431811 UDGXJCXKDIPMBO-CYBMUJFWSA-N 308.853 3.318 10 10 DGCE CN(C)c1ccc(/C=C\CNC[C@H](O)c2ccc(F)cc2)cc1 835033479 UIZASSGXUUQCSG-LLHWWHOWSA-N 314.404 3.228 10 10 DGCE CN(C)c1ccc(/C=C\CNCc2csc(N(C)C)n2)cc1 835043608 SYPRTVXOTYVXRC-WAYWQWQTSA-N 316.474 3.078 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@H]2CCN(c3ccccn3)C2)cc1 835042830 YGHWEXKNMSDNET-QWNKOJSDSA-N 322.456 3.029 10 10 DGCE CCOc1ccc(CNCc2cccc(C)c2OC)c(O)c1 848565667 ZEBWKXJDSCQRQM-UHFFFAOYSA-N 301.386 3.398 10 10 DGCE CCc1cccc(CN2CC[S@@](=O)C(CC)(CC)C2)c1O 848902239 BFWGOGCMRSOFAO-OAQYLSRUSA-N 309.475 3.078 10 10 DGCE COC(=O)/C=C\c1ccc(N2CCC[C@@H](C)CC2)c([N+](=O)[O-])c1 745170379 IJAMHUYATGLLNG-FWPCIQOSSA-N 318.373 3.407 10 10 DGCE Cc1nc(C(C)C)ccc1C(=O)NCc1c(O)cccc1F 928706277 QGIWWIYZESWGCQ-UHFFFAOYSA-N 302.349 3.288 10 10 DGCE CCc1noc([C@@H]2CC[C@H](N[C@H](C)c3ccccc3O)C2)n1 927050913 VSGSEMHXCOOTQY-UPJWGTAASA-N 301.390 3.325 10 10 DGCE COc1ccnc(CN[C@@H](C)c2cc(F)cc(F)c2O)c1F 850536776 JVEXFALIWBJVEJ-QMMMGPOBSA-N 312.291 3.064 10 10 DGCE COc1cc(CNCC2=CCOCC2)c(O)c(C(C)(C)C)c1 850314266 SSEVZPUSNOEZHD-UHFFFAOYSA-N 305.418 3.135 10 10 DGCE Cc1ccccc1CO[C@@H](C)C(=O)N(C)Cc1ccccc1O 860048054 PYIBGEFQEFBOCT-HNNXBMFYSA-N 313.397 3.264 10 10 DGCE CCc1[nH]nc(Cl)c1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 860950068 HJPXZFPNTCPQFK-JTQLQIEISA-N 320.824 3.183 10 10 DGCE COc1cc(Br)cc(CN2CC[C@H]2C(F)F)c1O 895434964 FIOIXZLYXAFWLT-VIFPVBQESA-N 322.149 3.003 10 10 DGCE CC(C)N1CCC[C@@H](C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 1138363879 ROSNIZHVPDSQCP-NVXWUHKLSA-N 317.477 3.050 10 10 DGCE CCNc1cccnc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 1154669303 WNCAFWRLRAWREJ-CYBMUJFWSA-N 312.417 3.070 10 10 DGCE O=C(NCc1cc(O)ccc1O)C1(c2ccccc2)CCCC1 1153879061 CPLYUWHEUTZDEL-UHFFFAOYSA-N 311.381 3.226 10 10 DGCE CCCCN(CCN1C[C@H](C)O[C@@H](C)C1)Cc1ccccc1O 1307722777 ZPXBPTJHYNWYFM-IRXDYDNUSA-N 320.477 3.104 10 10 DGCE CN(c1ccc(CO)cc1Br)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]12 2116352310 AOAIPPMITXBXIY-FDZNKFEOSA-N 322.246 3.422 10 10 DGCE CN(C)c1cc(F)c(CNc2cc3n(n2)CCCC3)cc1F 1328705368 YXEHFUYYOWFCEM-UHFFFAOYSA-N 306.360 3.176 10 10 DGCE O=C(NCc1cccc(O)c1O)c1cc(C2CC2)oc1C1CC1 1347233992 LPJDMZFQLHXLTJ-UHFFFAOYSA-N 313.353 3.376 10 10 DGCE Cc1oc(Br)cc1C(=O)N(C)CCCN=[N+]=[N-] 1912210132 FLTMVMRKFSLHFP-UHFFFAOYSA-N 301.144 3.123 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)c1nc[nH]c1C(C)(C)C 1465030786 NDFKNIDZQZCRIY-UHFFFAOYSA-N 314.433 3.012 10 10 DGCE Cc1cc(C(=O)CSC2COC2)c(C)n1-c1ccccc1 1473095570 ZRWGBAULTNRJSA-UHFFFAOYSA-N 301.411 3.409 10 10 DGCE Cc1cccc(CN(C)c2ccc(CN)c(Br)c2)n1 228154496 OHKOIAFIIANASU-UHFFFAOYSA-N 320.234 3.248 10 10 DGCE Cc1ccccc1-n1cc(C(=O)N[C@H](C)c2ccccc2O)cn1 1557966843 RACOZLHMYZELLP-CQSZACIVSA-N 321.380 3.377 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N[C@H](c2cccnc2)C2CC2)cc1 1633054510 ZXNGMHRYBLNGFT-HNNXBMFYSA-N 323.356 3.125 10 10 DGCE O=C(Nc1nc2ccc(Cl)nc2s1)c1cc(O)cs1 1639818078 ZXNNSISTMULJNZ-UHFFFAOYSA-N 311.775 3.364 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2n[nH]c3ccc(Cl)cc23)c1 1640797153 ZFUOISBLOOFYFZ-UHFFFAOYSA-N 315.760 3.160 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)c1ccc(Cl)o1 1643283396 UAFCSBLVZZRYAD-UHFFFAOYSA-N 302.717 3.117 10 10 DGCE CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1[C@H](N)c1ccccc1O 1929718625 PGKHYIZXNGAHQI-KGLIPLIRSA-N 306.406 3.038 10 10 DGCE CC(C)O[C@@H]1C[C@H](NC(=O)N[C@@H](C)c2ccccc2O)C1(C)C 1671411304 SRCZIGICWKOSAW-VBNZEHGJSA-N 320.433 3.345 10 10 DGCE CCCCCCNCc1ccc(OC)c(CN2CCOCC2)c1 13736059 VHOQJSSKGORJJU-UHFFFAOYSA-N 320.477 3.197 10 10 DGCE CCN1C(=O)/C(=C\c2cccc(-n3cccn3)c2)SC1=S 206761513 FROLSWZWHSBCKZ-JLHYYAGUSA-N 315.423 3.093 10 10 DGCE CN(CC1CC(F)C1)c1ccc(CN)c(Br)c1 1944070096 YGPPZLMLTLWYHN-UHFFFAOYSA-N 301.203 3.092 10 10 DGCE CN(Cc1cnsc1)c1ccc(CN)c(Br)c1 1945143680 HDHBRLQKFHWJCS-UHFFFAOYSA-N 312.236 3.001 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(COc2ccc(N)cc2)C1 1897330141 WNGVBJMHCUWPCT-SCLBCKFNSA-N 318.417 3.295 10 10 DGCE CN(C[C@H]1CCCCN1CCCN=[N+]=[N-])C(=O)OC(C)(C)C 1962304104 LIIPHGLCSUASCH-CYBMUJFWSA-N 311.430 3.408 10 10 DGCE CN(C)c1ccc([C@@H](O)C(C)(C)N(C)C(=O)OC(C)(C)C)cc1 1977938402 IVXBPKHBPWMWTM-OAHLLOKOSA-N 322.449 3.432 10 10 DGCE C[C@@H]1CN(Cc2ccccc2)CCN1c1ccc2c(c1)CC[C@@H]2O 2012705220 MJAHKJSAARZAQO-IERDGZPVSA-N 322.452 3.377 10 10 DGCE C[C@@]12CC[C@@H]1CCN2c1cc(Br)c(CN)cc1F 2039544767 SYOCCYFFQPXIRT-QMTHXVAHSA-N 313.214 3.426 10 10 DGCE CNCc1ccc(N2CCCN(Cc3ccccc3)CC2)c(C)c1 324067739 XISNEFRDFSATQS-UHFFFAOYSA-N 323.484 3.427 10 10 DGCE CN[C@@H](C)c1ccc(N2CC[C@](F)(COC)C2)c(Cl)c1 2179802028 CKGYHWJVGZJQER-XHDPSFHLSA-N 300.805 3.185 10 10 DGCE C[C@@H]1CN(Cc2cccc(Cl)c2O)C[C@@](C)(C(F)F)O1 705038008 MPQASBHZPVAADL-OTYXRUKQSA-N 305.752 3.290 10 10 DGCE CC[C@H]1C[C@H](N(C)Cc2c(O)cccc2Br)CO1 707165496 FHKWATJHUAHTOA-QWRGUYRKSA-N 314.223 3.154 10 10 DGCE CCN1CCc2cc([C@H](N)[C@@H]3SCCS[C@@H]3C)ccc21 2163073353 ICPMCWPVSTYIGZ-XFBWCDHKSA-N 308.516 3.306 10 10 DGCE COc1cccc(Cn2nc(C3CCCCC3)cc2CN)c1O 2070098476 YJOIBGFELZFPPB-UHFFFAOYSA-N 315.417 3.152 10 10 DGCE Cc1ccc([C@@H](C)n2nc(C(C)C)c(C(N)=O)c2Cl)c(O)c1 2079139926 DCZVAJBIWAQORA-SNVBAGLBSA-N 321.808 3.382 10 10 DGCE F[C@@H]1C[C@@H](F)CN(c2ccc(CNC3CC3)cc2Cl)C1 2182606793 VAEDKNSATKHINM-VXGBXAGGSA-N 300.780 3.478 10 10 DGCE NCc1ccc(N2CC[C@H](CCF)C2)c(F)c1Br 2047230639 MWNHLNGMVLQTHG-VIFPVBQESA-N 319.193 3.233 10 10 DGCE [N-]=[N+]=NC1CCN(C(=O)c2nc(Cl)sc2Cl)CC1 2078399221 MUBZMEQTEDCGOR-UHFFFAOYSA-N 306.178 3.365 10 10 DGCE Cc1ccc(Br)c(C(=O)N2CCC[C@H](N=[N+]=[N-])C2)n1 2112725401 VOEXMASJCZGDIK-VIFPVBQESA-N 324.182 3.067 10 10 DGCE Oc1ccccc1CNc1cc(Br)nn1CC1CC1 2226846010 OQNBBNNSJDKJOP-UHFFFAOYSA-N 322.206 3.373 10 10 DGCE F[C@H]1CN(c2ccc(CNC3CCC3)c(Cl)c2)C[C@H]1F 2240035335 KZMXOFREYIABRC-GASCZTMLSA-N 300.780 3.478 10 10 DGCE c1cn(C2CC2)c(Sc2ncc(CNC3CCC3)s2)n1 2240010638 JEQJQKNFSZXIGN-UHFFFAOYSA-N 306.460 3.468 10 10 DGCE CSc1ncc(CN[C@@H]2CCO[C@@H](C(F)(F)F)C2)s1 2269272972 RSFHNVAWLAHYOD-VXNVDRBHSA-N 312.382 3.065 10 10 DGCE CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)NC1CC1 2313682029 TTZCRYBXMPXHHW-UHFFFAOYSA-N 301.365 3.354 10 10 DGCE Cc1ccc(CN[C@@H]2C3C[C@@H]4C2[C@@H]4C3)c(O)c1Br 2327626414 MODFDVLJAGNCTC-ROOQRDEUSA-N 308.219 3.207 10 10 DGCE COc1ccc(CNCCc2ccccc2)cc1Cn1ccnc1 9740734 UIQWLXJMCRLAHB-UHFFFAOYSA-N 321.424 3.272 10 10 DGCE C[C@H](N)c1ccc(N2CCOCC2(C)C)c(Br)c1 61696670 CELTVQROKKJRNV-JTQLQIEISA-N 313.239 3.084 10 10 DGCE C[C@@H](CC(=O)O)[C@H]1CCCN(Cc2c(O)cccc2Cl)C1 128843369 GYMGMZTYZJLPJN-RYUDHWBXSA-N 311.809 3.368 10 10 DGCE COc1ccc(N(C)C[C@@H](O)c2ccc(F)c(F)c2)cc1F 121724400 XLTDIBZEGUGQLC-OAHLLOKOSA-N 311.303 3.282 10 10 DGCE C[C@H]1CCN(C(=O)c2cccc(O)c2O)[C@H](c2ccco2)C1 187157564 JWBDRVNOCFDWHH-AAEUAGOBSA-N 301.342 3.304 10 10 DGCE CCc1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)oc1CC 186406642 JJIUDCUAFDDSBB-LLVKDONJSA-N 317.385 3.177 10 10 DGCE CCCNCc1ccc(OC)c(CSc2cnn(C)c2)c1 81893068 FLMYCUJUVUGUEW-UHFFFAOYSA-N 305.447 3.221 10 10 DGCE CNCc1ccc(OC)c(C[S@](=O)c2cccc(C)c2)c1 84049276 UJQJYPMKRYGXLC-OAQYLSRUSA-N 303.427 3.031 10 10 DGCE Oc1c(Cl)cccc1CN[C@@H](c1ccccc1)c1nc[nH]n1 369015143 DKGZRSMFFMFHMI-AWEZNQCLSA-N 314.776 3.043 10 10 DGCE Nc1ccc(CCNC(=O)/C=C/c2ccc(Cl)s2)cc1 701167295 YKZPZPNPYRHXKR-SOFGYWHQSA-N 306.818 3.356 10 10 DGCE C[C@@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)[C@H]1C(=O)O 818631804 QSDSHUFRZLKUBY-CRAIPNDOSA-N 316.445 3.362 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N2CCC[C@]3(C2)CC3(F)F)cc1 824245986 GAAQARKUWJXDNQ-CQSZACIVSA-N 322.315 3.110 10 10 DGCE CO[C@@H](COc1ccc2c(c1)c(C)c(C)n2C)[C@H]1CCOC1 664097935 HWOURQVOZDOYEZ-KSSFIOAISA-N 303.402 3.225 10 10 DGCE CCN(C)C[C@H]1CCN(C/C=C\c2ccc(N(C)C)cc2)C1 835027155 BOPKRLAASPNWRN-HPFMTEOYSA-N 301.478 3.039 10 10 DGCE Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)c(C)n1-c1ccccn1 737869709 HZEAMXKBWRYHHW-ZOBUZTSGSA-N 309.413 3.408 10 10 DGCE C[C@@H]1CC(C)(C)C[C@@](CO)(NCc2ccc3c(c2)CCO3)C1 740008157 XGJFJNXGIAHVOI-KUHUBIRLSA-N 303.446 3.288 10 10 DGCE Cc1cc(O)c(CNC[C@@H](O)Cc2cccc(F)c2)c(Cl)c1 840949430 VZDHRENCMBZFRQ-AWEZNQCLSA-N 323.795 3.186 10 10 DGCE CN(C)c1ccc(/C=C\CNCc2nnc(C3CC3)s2)cc1 840973530 OJIZLWBVMRTLTG-ARJAWSKDSA-N 314.458 3.285 10 10 DGCE Cc1cc(O)c(CNC[C@](C)(O)c2ccc(F)cc2)c(Cl)c1 840905544 ABEKSZHVNRKFRV-KRWDZBQOSA-N 323.795 3.490 10 10 DGCE CCc1cccc(CN[C@@H](c2ccccc2F)[C@H](C)O)c1O 848920067 WSOFSLPQOUEKCD-YVEFUNNKSA-N 303.377 3.305 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)C1(C(F)(F)F)CC1 743718945 PACMVTSUYIPJCF-UHFFFAOYSA-N 313.319 3.230 10 10 DGCE COc1ccc(O)c([C@H](C)NCc2ccc([N+](=O)[O-])cc2C)c1 845971452 KMKOEHIPYVTFCS-LBPRGKRZSA-N 316.357 3.468 10 10 DGCE CN(C)c1ccc(/C=C\CN2CC(CO)(c3ccccc3)C2)cc1 840970180 PEBWFKGSXMUMQN-SREVYHEPSA-N 322.452 3.012 10 10 DGCE Cc1cc(CC(=O)OCCC[C@@H](C)O)c(C)n1-c1ccccc1 853935357 YXNIUGNQTJNGPO-OAHLLOKOSA-N 315.413 3.341 10 10 DGCE CCN(CC)c1ccc(CNC[C@@H](C(=O)O)C2CCC2)cc1 854245635 LAEJEHQNMIUWHY-QGZVFWFLSA-N 304.434 3.123 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)/C=C(\C)C(C)(C)C)C2)cc1 855226378 RMOXSUNOJHLEQJ-OKFGHLOFSA-N 316.445 3.383 10 10 DGCE CC[C@H](N[C@@H]1C[C@@H](C)n2ncnc21)c1cc(Cl)ccc1O 850498791 DFVCRPKJNSUZPL-JIMOISOXSA-N 306.797 3.384 10 10 DGCE C[C@H](Nc1c(N)cccc1Br)[C@@H]1C[C@H]2CC[C@H]1O2 697509208 YSIVAVDJBCSOOX-MPXOCVNLSA-N 311.223 3.399 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)N1CC2CC1(c1ccccc1)C2 856439658 CESAJTZADIALDR-CLFYSBASSA-N 321.376 3.259 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 935944941 DXWXVFXUNDZEBW-HZSPNIEDSA-N 306.402 3.096 10 10 DGCE CCc1cccc(CC)c1NC(=O)CN(C)c1ccc(N)cc1 863555653 GPRCLDFDFCOOKQ-UHFFFAOYSA-N 311.429 3.469 10 10 DGCE COc1cc2c(cc1F)CN(Cc1cc(C)ccc1O)CC2 777440618 NKTVSZKQUPAYSK-UHFFFAOYSA-N 301.361 3.407 10 10 DGCE Cc1c(Cl)ccc2c1CN(c1ccc3c(c1)OCO3)[C@H]2CN 71683578 IOVJCDYQQWBJFG-HNNXBMFYSA-N 316.788 3.397 10 10 DGCE OC[C@H](CNCc1ccc2ccccc2c1O)Cc1ccoc1 895585629 LAHHPPAYRTUHDX-HNNXBMFYSA-N 311.381 3.079 10 10 DGCE CN(Cc1ccc(N)cc1)[C@@H]1CCCN(Cc2ccccc2)C1 388625698 OFSRFJOJTSWHIZ-HXUWFJFHSA-N 309.457 3.365 10 10 DGCE CSCCCCNCc1c(O)cccc1Br 706881610 YKVBFTFVZFVSEC-UHFFFAOYSA-N 304.253 3.388 10 10 DGCE C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NCc1ccccc1O 716173105 GYTBWJLNKHIPPD-APWZRJJASA-N 310.441 3.392 10 10 DGCE CCc1ccsc1C(=O)NCc1ccc2cccnc2c1O 1142727915 HYHZIKMCASRKDL-UHFFFAOYSA-N 312.394 3.494 10 10 DGCE CC(C)(C)OC(=O)N[C@@H](CNc1ccc(N)cc1)C(F)(F)F 1959366911 MPLKDVDQUJBUEV-NSHDSACASA-N 319.327 3.136 10 10 DGCE O=C(CCSc1ccccn1)NCc1cc(Cl)ccc1O 1300396479 VQLQILHDIQOZAK-UHFFFAOYSA-N 322.817 3.239 10 10 DGCE COc1ccc(Br)c(CN[C@H]2C=C(C)CC2)c1O 2220465258 ZZYMXPBLOLEXDY-SNVBAGLBSA-N 312.207 3.362 10 10 DGCE CCCC1(C(=O)N[C@@H](C)CNCc2ccc(OC)c(C)c2)CC1 1268703466 NHXJBUUXWCKGFQ-HNNXBMFYSA-N 318.461 3.178 10 10 DGCE CC(C)Cc1ccc(CC(=O)NCc2cccc(O)c2O)cc1 1528770930 HCPBCJLGXNKZRL-UHFFFAOYSA-N 313.397 3.155 10 10 DGCE CN(C)c1ccc(CN2CCS[C@H](C(F)(F)F)C2)cc1 1473800512 MEEGUPVNXBACDK-ZDUSSCGKSA-N 304.381 3.232 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)[C@@H]1[C@H](C)[C@@H]1OCC 1626159943 DBWJOTPNSMGGSQ-XKQJLSEDSA-N 305.418 3.192 10 10 DGCE CC(=O)c1ccccc1C(=O)NCc1cc(Cl)ccc1O 1628666557 GDCZPZOCNSGZJK-UHFFFAOYSA-N 303.745 3.178 10 10 DGCE CC1CC(CNC(=O)NCc2c(O)ccc3c2CCCC3)C1 1637220249 FNACHZQBIFOXHG-UHFFFAOYSA-N 302.418 3.116 10 10 DGCE Cc1nnc(N(C)Cc2ccccc2O)n1Cc1ccsc1 1726358144 WCBGNLBUXNZQMO-UHFFFAOYSA-N 314.414 3.038 10 10 DGCE COc1cccc(CNC(=O)c2sccc2C(F)F)c1O 1636060969 ACLKPTOPOIQUDH-UHFFFAOYSA-N 313.325 3.330 10 10 DGCE O=C(Cc1noc2ccccc12)NCc1cccc(Cl)c1O 1637227326 XCSFEBJGMWBLDW-UHFFFAOYSA-N 316.744 3.046 10 10 DGCE C/C(=C/C1CCC(C)CC1)C(=O)NCc1cc(O)ccc1O 1643881791 FWDKQAPCFMHOMB-LCYFTJDESA-N 303.402 3.487 10 10 DGCE CC(C)c1ccc(C(=O)NCc2c(O)cccc2F)c(O)c1 1596913046 UGXOYTVFPXRMHS-UHFFFAOYSA-N 303.333 3.290 10 10 DGCE Cc1cccc([C@H](C)NC(=O)NCc2c(O)cccc2F)c1 1680709759 RXIWCSGDJNYXHW-LBPRGKRZSA-N 302.349 3.400 10 10 DGCE O=[N+]([O-])c1ccc(CCNCc2cccc(Cl)c2O)cc1 158135010 OGZUZJIKGFOHTQ-UHFFFAOYSA-N 306.749 3.286 10 10 DGCE CN(CC1CC(O)C1)c1ccc(CNC(C)(C)C)cc1Cl 164129132 BBTXEUFPGTYGKC-UHFFFAOYSA-N 310.869 3.435 10 10 DGCE CC(C)NCc1cc(F)c(N(C)CCOC(C)C)c(F)c1 157370115 FZTWCQGKQZZKAV-UHFFFAOYSA-N 300.393 3.324 10 10 DGCE C[C@@H]1Cc2ccccc2N1/N=N/c1ccc2c(c1)OCC(=O)N2C 1860487499 AXGFEKWIMFQSNM-WMSNYHIESA-N 322.368 3.492 10 10 DGCE CC(C)(C)OC(=O)NCC1CC(C[C@@H](N)c2ccccc2O)C1 1936971318 UZNCGMVJJMDKLR-SSDMNJCBSA-N 320.433 3.333 10 10 DGCE CN[C@H](c1ccccc1O)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 1936973360 GJUSVNBNYIMGEY-QAPCUYQASA-N 320.433 3.300 10 10 DGCE CC(F)(F)C1CN(c2ccc(CO)c(Br)c2)C1 1946187936 UJXXCBMKPWCHCJ-UHFFFAOYSA-N 306.150 3.033 10 10 DGCE Oc1ccc(Br)cc1CNCC[C@H]1C[C@H](F)C1 1947690313 XALQGRUGEUVTQU-OTCDBFHCSA-N 302.187 3.383 10 10 DGCE NCc1ccc(N2CCCSC[C@@H]2C(F)(F)F)cc1F 2143598396 NCBRQZFGFQEHON-GFCCVEGCSA-N 308.344 3.159 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(N)cc2)[C@H]2C[C@H]21 1974961876 YXHWSYPFSPDQOB-QLFBSQMISA-N 303.406 3.079 10 10 DGCE C[C@@H](CN(C)C(=O)OC(C)(C)C)[C@@H](O)c1ccc(N(C)C)cc1 1977937615 COXLJNIIOXRYSV-XJKSGUPXSA-N 322.449 3.289 10 10 DGCE CCN(c1ccc(CN)cc1Br)[C@@H]1CCSC1 2003841399 PZPWKGQDSKBSDO-LLVKDONJSA-N 315.280 3.240 10 10 DGCE CN[C@H](c1ccsc1Cl)[C@@H](O)c1ccc(N(C)C)cc1 2147432977 KYUCZEJHRUDYFP-KGLIPLIRSA-N 310.850 3.462 10 10 DGCE CC1(C)CC[C@H](Sc2nccs2)C[C@]1(CO)NC1CC1 2155410704 JLQCMCVQYULEGC-SWLSCSKDSA-N 312.504 3.297 10 10 DGCE CC1=NN(c2ccccc2)C(=O)C1=Cc1ccccc1CC(=O)O 2040466439 BLIBUSWZDABXJU-UHFFFAOYSA-N 320.348 3.120 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@H]3C[C@H]2[C@@H]2C[C@@H]32)c(Br)c1 2041511236 QBRVUQDYADKYDW-GCJOFGIHSA-N 308.219 3.347 10 10 DGCE COc1cc(Cl)cc(CNC[C@H]2C[C@H]2C(F)(F)F)c1O 2159784141 FLMIDGFJELGCSW-GMSGAONNSA-N 309.715 3.342 10 10 DGCE COC(=O)c1cc(-c2ccccc2)nn1Cc1cccc(C)c1O 2069861280 YSTZYYIIOCKBKS-UHFFFAOYSA-N 322.364 3.399 10 10 DGCE Cc1ccc([C@@H](C2CC2)n2nc(C(F)F)c(C=O)c2N)c(O)c1 2079062423 PLTXUTQOGOSWRJ-CQSZACIVSA-N 321.327 3.229 10 10 DGCE CO[C@@H]1CN([C@H](C)c2cc(Cl)ccc2O)CC(F)(F)C1 2185147132 MLLXAIYRAKPWTK-KOLCDFICSA-N 305.752 3.463 10 10 DGCE C[C@H](N)c1ccc(N2C[C@@H]3C[C@@H]3[C@H]3C[C@@H]32)c(Br)c1 2053731832 YQPHRBFMDJCPND-LBSLZEFRSA-N 307.235 3.313 10 10 DGCE [N-]=[N+]=NC[C@H]1CCN(Cc2nscc2Br)C1 2211137674 JVTCBXPBQRLUEJ-SSDOTTSWSA-N 302.201 3.038 10 10 DGCE Cc1c(Br)cccc1C[C@@H](O)Cc1ccc(N)cc1 2087377669 MCLDOFGCVWVGQF-HNNXBMFYSA-N 320.230 3.486 10 10 DGCE C[C@@]12C[C@H]1CN(c1ccc(C=CC(=O)O)c(Br)c1)C2 2096037949 KLQADPRJAFSKQQ-NHYWBVRUSA-N 322.202 3.393 10 10 DGCE CC[C@]1(C)C[C@H]1NCc1c(Br)ccc(OC)c1O 2220463197 XTOYIQVMLVIPBI-TZMCWYRMSA-N 314.223 3.442 10 10 DGCE CN[C@H]1CCN(c2ccc(OC)cc2Br)[C@@H](C)C1 2221628696 VPYFVWXPRXURCM-QWRGUYRKSA-N 313.239 3.034 10 10 DGCE CN[C@@H](C)c1ccc(N(C)C[C@]2(F)CCOC2)c(Cl)c1 2238285072 OYYRQWJHKGCJCW-XHDPSFHLSA-N 300.805 3.185 10 10 DGCE Nc1ccc(CCNC(=O)C=Cc2cc3ccccc3o2)cc1 2301696525 VLCXHJIGNULXQM-UHFFFAOYSA-N 306.365 3.387 10 10 DGCE CCC1=NN(c2ccccn2)C(=O)C1=Cc1ccc(N(C)C)cc1 2332096502 OVAOLVKZZSKBAV-UHFFFAOYSA-N 320.396 3.344 10 10 DGCE CC1=NN(c2ccccn2)C(=O)C1=Cc1cn(C)c2ccccc12 2332128790 CYWXKOYWGZSNNH-UHFFFAOYSA-N 316.364 3.379 10 10 DGCE Nc1cc(Cl)c(N2C(=O)CCCCCC2=O)c(Cl)c1 2340240333 CKLACOGDWPOTKD-UHFFFAOYSA-N 301.173 3.399 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCN[C@H]2CCC[C@@H]21 2341942387 MIEMKBBUJFTJMC-STQMWFEESA-N 301.217 3.025 10 10 DGCE C[C@H]1CSC[C@H]1NCc1cc(OC(F)(F)F)ccc1O 2361044685 CFIYUIVBPFRTQW-GZMMTYOYSA-N 307.337 3.132 10 10 DGCE COc1ccc(O)c(CNC(=O)[C@H]2C[C@H]2C2CCCCC2)c1 173580811 CFYDADAEPRJJQE-HOTGVXAUSA-N 303.402 3.233 10 10 DGCE CCN(Cc1ccc(N)cc1)S(=O)(=O)c1ccc(Cl)cc1 35361262 ZQQHISDNPJAJSU-UHFFFAOYSA-N 324.833 3.133 10 10 DGCE CCN[C@H]1CCN(c2cc(Cl)c(OC)cc2OC)[C@H](C)C1 49712019 FTVKSLBYQUMOLE-NEPJUHHUSA-N 312.841 3.324 10 10 DGCE CN(Cc1cccc(Cl)c1)c1cc2c(cc1N)OCCO2 48877139 VSDZPPJOKAFTPR-UHFFFAOYSA-N 304.777 3.330 10 10 DGCE COc1ccc(O)c(CN[C@@H](C)c2cc(OC)ccc2OC)c1 237205615 JGEAMTWFVLEOJG-LBPRGKRZSA-N 317.385 3.269 10 10 DGCE CCCN(Cc1ccccc1O)Cc1cc(CO)ccc1F 528396727 SEROSCBSFNDKGO-UHFFFAOYSA-N 303.377 3.436 10 10 DGCE Oc1ccc(Cl)c(F)c1CNc1ccc2c(c1)OCCNC2 530247509 VIMCCJHXCQABCS-UHFFFAOYSA-N 322.767 3.279 10 10 DGCE COc1cc(COc2ccc(N(C)C)cc2)ccc1[N+](=O)[O-] 810002431 XCXJYARXCWYBSH-UHFFFAOYSA-N 302.330 3.248 10 10 DGCE COc1ccc(CNc2cncc(Br)c2C)c(O)c1 722751682 LXABDDHGBHERJW-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE Cc1cc(O)c(CNCCCc2c(C)nn(C)c2C)cc1Cl 825400695 PNEQTRVJGSSXOF-UHFFFAOYSA-N 321.852 3.427 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCCCC[C@@H]1N 825942855 MQZUPHFHAMJPDF-ROUUACIJSA-N 317.477 3.009 10 10 DGCE CC(C)(C)OC(=O)NC1(CCOc2ccc(N)cc2)CCC1 1952719734 SUBUUBZNHUUTPZ-UHFFFAOYSA-N 306.406 3.485 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1ncn2ccc(C)cc12 830141148 NOPDIOOWBSWCLL-UHFFFAOYSA-N 323.396 3.401 10 10 DGCE CC(C)(C)OC(=O)N1CC(C)(OCCCc2ccc(N)cc2)C1 1952755753 VNQKQJBIGCUPTC-UHFFFAOYSA-N 320.433 3.227 10 10 DGCE C[C@H](NC(=O)NC[C@@H]1C[C@H]1C1CC1)c1ccc(N(C)C)cc1 836405408 FYRBRJXFELRJSY-NUTKFTJISA-N 301.434 3.159 10 10 DGCE CN(C)c1ccc(CNC[C@H]2CCC3(CCCC3)O2)cc1F 848576204 JJQWPNBLGSFWBA-OAHLLOKOSA-N 306.425 3.473 10 10 DGCE CCN1CC[C@H](N(C)Cc2ccc(N(C)C)cc2C)[C@H](C)C1 840917994 XTOUBNMTDXREJJ-APWZRJJASA-N 303.494 3.223 10 10 DGCE CC(C)C(=O)N1CCC(N[C@@H](C)c2ccc(Cl)cc2O)CC1 841743546 AVQJQVVBBZLCQI-LBPRGKRZSA-N 324.852 3.343 10 10 DGCE CN(Cc1nc2c(s1)CCCC2)C(=O)Nc1ccc(N)cc1 841301085 ZNTNJBZJTWLXIM-UHFFFAOYSA-N 316.430 3.268 10 10 DGCE COc1cccc(O)c1CN[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@H]21 858214199 LXUNPZGDLJSDBL-MORSLUCNSA-N 315.800 3.482 10 10 DGCE CC[C@@H](N[C@@H]1C(=O)N(C)Cc2ccccc21)c1ccccc1O 857875332 KSFKAMCOGFREFB-AEFFLSMTSA-N 310.397 3.146 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccnc(CO)c2)cc1 763241091 HCEWIAXCBQZLNI-UHFFFAOYSA-N 321.380 3.234 10 10 DGCE Oc1cc(Cl)ccc1CN(Cc1ccccc1)C1CNC1 1955484120 UTHCTCWEJUMHTI-UHFFFAOYSA-N 302.805 3.020 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@H](C)C3CC(F)(F)C3)C2)cc1 862408062 SHXOEFGKGFQUSJ-TZMCWYRMSA-N 310.388 3.297 10 10 DGCE C/C(=C/C(=O)N1C[C@H](C)Sc2ccccc21)c1cnccn1 1126993800 ZVTFXHRDRLHERZ-SUIFULHWSA-N 311.410 3.407 10 10 DGCE CCC[C@@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)OCC 899126293 OXVXQKKAXWJIHA-NSHDSACASA-N 323.414 3.248 10 10 DGCE C[C@H](CCOCc1ccccc1)NCc1ccc(O)c(O)c1 389960718 ZWHXLNUXKJYAQT-CQSZACIVSA-N 301.386 3.183 10 10 DGCE C[C@H](COCc1ccccc1)NCc1ccc(F)c(F)c1O 703394736 MDOOBSAJRRRBAJ-GFCCVEGCSA-N 307.340 3.365 10 10 DGCE COc1ccc(CNC[C@H]2CCN2Cc2ccccc2)cc1C 716295293 XJUNUUXMCSGCEJ-LJQANCHMSA-N 310.441 3.368 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2cc(Cl)c(F)cc2N)c1 1301046683 HQDHPEXHQBJIIH-UHFFFAOYSA-N 308.740 3.005 10 10 DGCE C=Cc1ccccc1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 1311110751 IQGVHBNSBVFAOO-GFCCVEGCSA-N 312.369 3.494 10 10 DGCE CCCN[C@]1(CO)CC[C@@H](Sc2nccs2)[C@@H]1CC 2122615124 UHPXZMZGQMMBEO-SCRDCRAPSA-N 300.493 3.155 10 10 DGCE COc1cc(C)cc(CN[C@@H](C)[C@](C)(O)c2ccccc2)c1O 1262111770 PDBBFPSFTDYLKE-LIRRHRJNSA-N 315.413 3.095 10 10 DGCE CCN(CC)c1ccc([C@@H](O)c2n[nH]cc2Br)cc1 2134191657 KXSWFMSCUWJIKV-CQSZACIVSA-N 324.222 3.100 10 10 DGCE Cn1cnc(/C=C\C(=O)N(Cc2ccccc2)c2ccccn2)c1 1354340997 BDAIDHIGTVFZHC-KHPPLWFESA-N 318.380 3.062 10 10 DGCE CC[C@@H](C)CCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 1616858752 SLEUARWQWJGAPT-QAPCUYQASA-N 319.493 3.298 10 10 DGCE CC[C@H](NC(=O)c1cccc(O)c1O)c1cc(F)ccc1OC 1638715519 BODKHTYWWUIRSK-ZDUSSCGKSA-N 319.332 3.127 10 10 DGCE COc1cc(F)c(C(=O)N[C@@H](C)c2ccccc2O)c(F)c1 1635803203 AXDQHQDSQWZSOT-VIFPVBQESA-N 307.296 3.170 10 10 DGCE Cc1cc(F)c(CNC(=O)N(C)Cc2ccccc2O)c(F)c1 1565396684 KLBOPGWFGHNDRS-UHFFFAOYSA-N 320.339 3.320 10 10 DGCE CC[C@H](C)Oc1ccc(C(=O)NCc2c(O)cccc2O)cc1 1639289150 LWZYKWXZXGNYDX-LBPRGKRZSA-N 315.369 3.205 10 10 DGCE C[C@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)c1cccc(O)c1O 1631953747 HVAVAACVYXSOIL-WDEREUQCSA-N 315.344 3.385 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2csc(-c3ccoc3)n2)c1 1645800782 SOFFYNBKUMTIGX-UHFFFAOYSA-N 314.366 3.347 10 10 DGCE CCN(C)c1ccc(CN(CC(=O)OC)C2CCCCC2)cc1 1655013044 BLSRONAQFJJYSI-UHFFFAOYSA-N 318.461 3.450 10 10 DGCE C[C@@H](CCN(C)C(=O)OC(C)(C)C)NCc1ccc(N)cc1 1960846279 SVVJUIFRUAINCO-ZDUSSCGKSA-N 307.438 3.004 10 10 DGCE CN(CCN(C)Cc1ccccc1O)Cc1ccc(F)cc1 160540305 ZQAZRQCSYWTNTK-UHFFFAOYSA-N 302.393 3.095 10 10 DGCE CCNCc1ccc(N(C)[C@H](C)COC)c(C(F)(F)F)c1 163694732 QTUFDVVHZZOILD-LLVKDONJSA-N 304.356 3.286 10 10 DGCE CN1C[C@@H](N(C)c2ccccc2)c2c(Cl)cccc2[C@H]1CN 250603679 KSGRKYPHTUCUGB-IAGOWNOFSA-N 315.848 3.463 10 10 DGCE COc1ccc(Br)c(CN2C[C@H]3CC[C@H]2C3)c1O 1964554068 JEWZNZYNQDXJDE-UWVGGRQHSA-N 312.207 3.148 10 10 DGCE CC1(C)OCCC[C@@H]1NCc1ccc(Br)cc1O 1967882364 VRBOEFIBVGEJOG-ZDUSSCGKSA-N 314.223 3.202 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[C@]21[C@@H](N)c1ccccc1O 1983900278 CRJVIOYGGPGWHH-GMIDFTQGSA-N 318.417 3.085 10 10 DGCE C[C@H](O)CN(Cc1ccccc1)c1ccc2c(c1)CCC[C@@H]2N 1986601815 YKGQVCWBJHLFBK-YWZLYKJASA-N 310.441 3.410 10 10 DGCE CCN(Cc1ccc(N)cc1)C(=O)c1ccc(Br)o1 35361136 LURTUICHNDJMPW-UHFFFAOYSA-N 323.190 3.287 10 10 DGCE Cc1cccc(CNCc2cnc(Br)s2)c1O 718191966 JUOSIPZXECETMB-UHFFFAOYSA-N 313.220 3.209 10 10 DGCE O=C(O)c1cc(C2CCC2)nn1Cc1ccc(Cl)cc1O 2069874924 UKSAOBWDXALIHS-UHFFFAOYSA-N 306.749 3.256 10 10 DGCE C[C@@H](N)c1ccc2c(c1)CCCN2CC1(Br)CC1 2049201565 XIFDGGNBENSZQA-LLVKDONJSA-N 309.251 3.386 10 10 DGCE C[C@@H]1C[C@@]1(F)CN(C)c1ccc(CN)c(Br)c1F 2085434719 FUTQZLKGBXEYTB-AMIZOPFISA-N 319.193 3.231 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NC(=O)c1ccnc(Cl)c1Cl 2225802538 ZLPVLQNSIJNISJ-JGVFFNPUSA-N 300.149 3.350 10 10 DGCE NCc1ccc(N2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2)c(Br)c1 2228683917 AWRJXPQWBLTXOP-CRWXNKLISA-N 319.246 3.166 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@](F)([C@@H](N)c2ccccc2O)C1 2243008934 PHKSFIIAEONHBM-YOEHRIQHSA-N 324.396 3.131 10 10 DGCE COc1ccc(C=C2C(=O)N(c3ccccc3)N=C2C)cc1O 2297315376 ZHCCLZUKQJBQSZ-UHFFFAOYSA-N 308.337 3.207 10 10 DGCE CC(C)(NC(=O)C=Cc1ccc(O)c(O)c1)c1ccc(F)cc1 2308000905 YBKXHYCSVSMGEL-UHFFFAOYSA-N 315.344 3.302 10 10 DGCE C[C@H](O)c1ccc(N2C[C@@H]3C[C@H]2[C@@H]2C[C@@H]32)cc1Br 2308715672 AGOHZSALKXPWCT-MSPKKARQSA-N 308.219 3.347 10 10 DGCE CC(=O)N(C(=O)NC=Cc1cccc(C)c1)c1ccc(N)cc1 2325898857 YCHOSNJWZNTRIZ-UHFFFAOYSA-N 309.369 3.311 10 10 DGCE Cc1ccc(CN[C@@H]2[C@H]3C[C@H]3[C@H]3C[C@H]32)c(O)c1Br 2327613220 SNYAUHOCMGRUKT-UZPTXHBLSA-N 308.219 3.207 10 10 DGCE CN(c1ccc(CO)cc1Br)[C@@H]1C[C@@H]2C[C@H]1[C@@H]1C[C@H]21 2330303748 AOAIPPMITXBXIY-SUNOKAMTSA-N 322.246 3.422 10 10 DGCE CNCc1ccc(N2Cc3cccnc3C2)cc1Br 2336975267 UWIIFFNUGPJNEE-UHFFFAOYSA-N 318.218 3.084 10 10 DGCE CSc1ccc(O[C@@H](C)C(=O)Nc2ccc(N)cc2)cc1 110981408 RVKMXDMOCBUTQV-NSHDSACASA-N 302.399 3.397 10 10 DGCE COc1ccc(O)c(CN2C[C@H](c3ccccc3)O[C@H](C)C2)c1 179854548 JJBCUCGEYURNRL-AUUYWEPGSA-N 313.397 3.363 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)c2ccc(C)o2)c1 103511261 FKUAAHTYMZRMDE-RYUDHWBXSA-N 318.373 3.424 10 10 DGCE CN1CCC(N(C)/N=N/c2ccccc2Br)CC1 1860481522 GYIUSHNBULEHCB-FOCLMDBBSA-N 311.227 3.474 10 10 DGCE Cc1sc2nc(COc3ccc(N)cc3)nc(N)c2c1C 38055700 DRPOAOWJRYXAAE-UHFFFAOYSA-N 300.387 3.052 10 10 DGCE CC[C@H]1CO[C@@H](C)CN1c1ccc(CN)c(C(F)(F)F)c1 36794459 OTZKBKKPSFJYPW-JQWIXIFHSA-N 302.340 3.168 10 10 DGCE COc1ccc(CN2C[C@H]3CCC(=O)c4cccc2c43)c(O)c1 185629701 QSEUSZOPANCMLV-CYBMUJFWSA-N 309.365 3.481 10 10 DGCE OC[C@@H]1CCC[C@@H](NCc2ccc(N3CCCCC3)cc2)C1 319094603 CXJMIJALCSVTKX-QZTJIDSGSA-N 302.462 3.318 10 10 DGCE N[C@H](Cc1ccc(O)c(O)c1)c1nc2cc(F)ccc2s1 40225924 NAVOWDNHYVBLOU-SNVBAGLBSA-N 304.346 3.089 10 10 DGCE Cc1cc(N2CC[C@@H](SC(F)F)C2)ccc1C[C@@H](C)N 2365649842 JNTYWCVWYBWUMR-BXUZGUMPSA-N 300.418 3.419 10 10 DGCE CN(Cc1ncc(C(F)F)s1)c1ccc(CN)c(F)c1 2369497097 ASNIHHUCKOUKCE-UHFFFAOYSA-N 301.337 3.315 10 10 DGCE C[C@H](N[C@@H]1C[C@@H]2OCCC[C@H]21)c1cc2c(cc1O)CCCC2 251854423 NTCZFLIMFJBCJR-FRXJQCMVSA-N 301.430 3.489 10 10 DGCE CCCN(CCC)c1ccc(CN2CC[C@@H](NC(C)=O)C2)cc1 817413103 UBLBPXSPHPXGCO-GOSISDBHSA-N 317.477 3.023 10 10 DGCE COC(=O)CC(C)(C)C[C@H](C)N[C@@H](C)c1cc(OC)ccc1O 825934880 LXXAKSGBSHQOAN-STQMWFEESA-N 323.433 3.419 10 10 DGCE Cc1ccc(-c2nnc(COC(=O)c3cc(O)cs3)o2)cc1 732354999 ZCMGNAIGPBKHGO-UHFFFAOYSA-N 316.338 3.169 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)Nc1nccc2sccc12 588466534 OTOIKICENYZROG-RQOWECAXSA-N 312.350 3.359 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@H](CO)c2ccsc2)cc1 835045866 DXTJIUVDJCYQKE-REMYHPOOSA-N 302.443 3.151 10 10 DGCE COC(=O)/C=C/c1ccc(N(C)Cc2ccoc2)c([N+](=O)[O-])c1 918735638 KXWWIMMXYVSBQM-GQCTYLIASA-N 316.313 3.010 10 10 DGCE COc1cccc(CNC(=S)Nc2ccccc2Cl)n1 748044892 OTWCPYMWOSYFNN-UHFFFAOYSA-N 307.806 3.230 10 10 DGCE C[C@H]1C[C@@H](NCc2cccnc2N(C)C)c2c(O)ccc(F)c21 756411429 PWYABHGDRARBPF-SMDDNHRTSA-N 315.392 3.330 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)C3CCCC3)C2)cc1 855231078 JGDVSXUBNACWAP-GOEBONIOSA-N 316.445 3.216 10 10 DGCE Cc1ccc(CC2CN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)cc1 855864686 SAIWXLNLXCNCBC-VQHVLOKHSA-N 323.392 3.121 10 10 DGCE C[C@H](CCNCc1cc(-c2ccccc2)ccc1O)[S@@](C)=O 765287112 SARODSSTLINOAC-JLCFBVMHSA-N 317.454 3.306 10 10 DGCE CC[C@H](N[C@H]1CCCNC1=O)c1ccc(Cl)c(Cl)c1O 775500700 XDHKOKYYPCMZGD-QWRGUYRKSA-N 317.216 3.018 10 10 DGCE CCOc1ccc(O)c(CN2CCC[C@@H]([C@@H]3CCOC3)C2)c1 770377268 ZDOVDLWKJIYLQG-HUUCEWRRSA-N 305.418 3.039 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)CCC(C)(C)C(C)=O 772783355 BLMZZRAHZJJGND-UHFFFAOYSA-N 318.461 3.497 10 10 DGCE CCOc1cc(N2CC=C(c3ccc(Cl)nc3)CC2)ncn1 772142695 LIZVQSONNBSICI-UHFFFAOYSA-N 316.792 3.217 10 10 DGCE Oc1c(F)cc(Br)cc1CN1CCCSCC1 894422601 JXMVFDQLHDMGFW-UHFFFAOYSA-N 320.227 3.233 10 10 DGCE CC1=C[C@H](C)CN(C(=O)NCCCSc2nccs2)C1 797475329 ATUULIMSFSZKGD-NSHDSACASA-N 311.476 3.233 10 10 DGCE CC[C@H](CC(F)F)C(=O)Nc1c(Cl)ccc2nonc12 1331138597 JGFDWGDTMBIHCS-ZCFIWIBFSA-N 303.696 3.496 10 10 DGCE Cc1cc(O)c(CN2CCO[C@@]3(CCSC3)C2)cc1Cl 1330818305 OHUCOUNLKZGUKY-HNNXBMFYSA-N 313.850 3.062 10 10 DGCE Cc1ccccc1-n1c(C)cc(C(=O)N2CC[C@@]23CCOC3)c1C 1331572352 ULNBPNPMEOMJBY-FQEVSTJZSA-N 324.424 3.408 10 10 DGCE [N-]=[N+]=NCC1CCN(C(=O)c2ncccc2Br)CC1 1912183823 AGONZRXCMGJXCQ-UHFFFAOYSA-N 324.182 3.007 10 10 DGCE CCOc1cc(CNCCOC)ccc1N1CCCCCC1 211710385 KPLGZSFKKHYWMX-UHFFFAOYSA-N 306.450 3.202 10 10 DGCE CC(C)[C@]1(C)C[C@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 1468806870 BCIBEODESPBHCF-ZBFHGGJFSA-N 305.399 3.477 10 10 DGCE O=C(CCNc1ccccc1)NCc1ccc2cccnc2c1O 1630528773 WCXJVPCAASQXLB-UHFFFAOYSA-N 321.380 3.059 10 10 DGCE CCCCC[C@@H](O)C(=O)N(CCCC)Cc1ccccc1O 1568137177 HMSGWSOIOJQVGY-QGZVFWFLSA-N 307.434 3.462 10 10 DGCE COc1ccc(C(=O)NCc2cc(O)ccc2O)c2ccccc12 1637122922 SDSKKKOZDYSZBV-UHFFFAOYSA-N 323.348 3.190 10 10 DGCE CC(C)Oc1ccc(N(C)Cc2cc(O)nc(C3CC3)n2)cc1 1642710491 OCIBVFLZOHMKIX-UHFFFAOYSA-N 313.401 3.483 10 10 DGCE CCc1cccc(N(C)C(=O)c2cccnc2-c2cnn(C)c2)c1 1570145220 LXQQITRGMCVHBS-UHFFFAOYSA-N 320.396 3.321 10 10 DGCE COc1ccc(CN[C@@H](C)CCNC(=O)CC2(C)CC2)cc1C 1690854500 HUDZTIMKSFXAIG-HNNXBMFYSA-N 318.461 3.178 10 10 DGCE C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(CCN=[N+]=[N-])[C@@H]1C 1962304413 MXPNRQLBRFOLKO-UPJWGTAASA-N 311.430 3.310 10 10 DGCE C[C@H]1C[C@@H](C)CN(/N=N/c2ccc(N3CCN(C)CC3)cc2)C1 1860486305 WWQBWHQKRUHTIH-BVYOUEPQSA-N 315.465 3.415 10 10 DGCE Nc1ccc(Cc2ccc(NC(=O)c3cncc(N)c3)cc2)cc1 1866002792 VWXYAZOBQZEKDC-UHFFFAOYSA-N 318.380 3.089 10 10 DGCE CCCN[C@@](CO)(CSc1nccs1)C1CCCC1 2142993505 RUMPCOVPCAZWNT-AWEZNQCLSA-N 300.493 3.156 10 10 DGCE C[C@@H](N[C@@H]1CCCC2(OCCO2)C1(C)C)c1ccccc1O 1877584477 FGJFTTBHKQZZMU-CZUORRHYSA-N 305.418 3.365 10 10 DGCE C[C@H]1CN(c2ccc([C@@H](C)O)c(Br)c2)C[C@H]1F 1947313772 VZVZLQFJLJIRST-IGJMFERPSA-N 302.187 3.297 10 10 DGCE COc1ccc(N(CCCN)Cc2csc(Cl)n2)cc1 2143726041 OTQAFFYAHUYYJV-UHFFFAOYSA-N 311.838 3.161 10 10 DGCE Cc1c(I)cc(CN=[N+]=[N-])c(C)c1CN 1887534903 ISVJRKUAIVSHHO-UHFFFAOYSA-N 316.146 3.177 10 10 DGCE C[C@@H]1N(c2ccc(CO)c(Br)c2)CCC1(F)F 2004602460 JMTYYGYHYAOOTA-QMMMGPOBSA-N 306.150 3.175 10 10 DGCE Oc1c(Br)cccc1CNCC1(CF)CCC1 1974143940 SLCPYSDYOHRGPN-UHFFFAOYSA-N 302.187 3.384 10 10 DGCE CC(C)(C)OC(=O)N1CC2(CCC[C@H]2Nc2ccc(N)cc2)C1 1977665512 ZTHKQULDYXLPOG-OAHLLOKOSA-N 317.433 3.470 10 10 DGCE C[C@H](NC(=O)OC(C)(C)C)[C@H](N)c1ccc(N2CCCC2)cc1 1977942697 YBOBEFFAJVHRFB-BBRMVZONSA-N 319.449 3.200 10 10 DGCE Cc1ccc(O)c([C@H](C)N[C@@H]2CC[C@H]2NC(=O)OC(C)(C)C)c1 1986712702 NDXWIUHFQCLZAA-NWANDNLSSA-N 320.433 3.407 10 10 DGCE CN[C@@H](CC1(C)CN(C(=O)OC(C)(C)C)C1)c1ccccc1O 1991977898 UOQVNEMPYVVLDA-AWEZNQCLSA-N 320.433 3.300 10 10 DGCE C[C@@H](F)[C@@H]1CCCN1Cc1ccc(Br)cc1O 2010592313 VRWYCKMMLZAZKZ-SKDRFNHKSA-N 302.187 3.477 10 10 DGCE COc1ccc2nc(Sc3ncc([C@@H](C)O)s3)[nH]c2c1 2159804543 FDZYKEKCJOUBAA-SSDOTTSWSA-N 307.400 3.233 10 10 DGCE CN(CC1[C@H]2CCC[C@H]12)c1ccc(CO)cc1Br 2032795815 UHAUPJIBVSMUOW-RYUDHWBXSA-N 310.235 3.424 10 10 DGCE CNCc1ccc(N2CCCC[C@@H](F)C2)c(Br)c1 2034846939 MTNSPFVZANUXCP-GFCCVEGCSA-N 315.230 3.497 10 10 DGCE CC(C)OC1CN(c2ccc([C@H](C)O)cc2Br)C1 2040861465 KHFLMEYNZQZLRX-JTQLQIEISA-N 314.223 3.116 10 10 DGCE CNCc1ccc(N2CCC(F)(F)C2)c(Br)c1 313412982 WMTXBHIOKRSEQE-UHFFFAOYSA-N 305.166 3.014 10 10 DGCE C[C@H](N)c1ccc(N2CCS[C@@H]3COCC[C@H]32)cc1Cl 2170485883 HBAHKDDKIYQFNT-COLVAYQJSA-N 312.866 3.070 10 10 DGCE Cc1ccc([C@@H](C2CC2)n2nc(C3CCC3)c(N)c2N)c(O)c1 2079014719 HTORNCUVCQOYEC-QGZVFWFLSA-N 312.417 3.328 10 10 DGCE Cc1cccc(Cn2[nH]c(=N)c(Cl)c2C(F)(F)F)c1O 2079175232 GOZAAIRCFBGFFU-UHFFFAOYSA-N 305.687 3.030 10 10 DGCE Cc1cccc(O)c1CNCc1ccncc1Br 2042632519 HNMYNMQNVKKWCA-UHFFFAOYSA-N 307.191 3.148 10 10 DGCE COC[C@]1(C)CCN1c1ccc([C@H](C)N)c(Br)c1 2055903648 KRIWMHITPZVMPS-HZMBPMFUSA-N 313.239 3.084 10 10 DGCE NCc1ccc(N2[C@H]3CC[C@@H]2C[C@@H](F)C3)c(Br)c1 2072029941 SSDVFGDKXYISEN-CNDDSTCGSA-N 313.214 3.377 10 10 DGCE Cc1ccc(CNCc2cncc(Br)c2)c(O)c1 2084075778 RYAVZPQZEJUHHX-UHFFFAOYSA-N 307.191 3.148 10 10 DGCE [N-]=[N+]=NCCCS(=O)(=O)c1ccc(OC(F)(F)F)cc1 2235918368 XFFBCBXMIPTCGU-UHFFFAOYSA-N 309.269 3.059 10 10 DGCE C[C@@H](NCc1ccc(N)cc1)[C@@H]1CCCN1C(=O)OC(C)(C)C 2244473575 HRHRPRUVNPWWCL-CJNGLKHVSA-N 319.449 3.146 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H]2CCCN(CCCN=[N+]=[N-])[C@@H]2C1 2245454337 KGTCXGIMKJTYNT-ZIAGYGMSSA-N 323.441 3.408 10 10 DGCE CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)NC1CC1 2297471414 AOSUUUWHZGNONY-UHFFFAOYSA-N 313.401 3.224 10 10 DGCE CN(Cc1ccccc1O)C(=O)C=Cc1cnc2ccccc2n1 2299692368 INCWKSXMBQZMEX-UHFFFAOYSA-N 319.364 3.007 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)NC[C@@H]1C[C@@H]1c1ccccc1 2307987123 FCDWNAWUFZOIRS-JKSUJKDBSA-N 309.365 3.031 10 10 DGCE C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)C=Cc1ccc(O)c(O)c1 2307987335 SRBCKDVDFHXUQJ-VHDGCEQUSA-N 301.386 3.291 10 10 DGCE CCOc1ncc(C=CC(=O)N(CC)c2cccc(C)c2)cn1 2325354416 IGGBNBSOERNDQJ-UHFFFAOYSA-N 311.385 3.250 10 10 DGCE Oc1cccc(Br)c1CN[C@H]1CC[C@@H]2[C@H]1C2(F)F 2308662012 DOXBWVJAGIEIHT-UBHAPETDSA-N 318.161 3.288 10 10 DGCE C[C@H](O)c1ccc(N2C[C@@H]3C[C@H]2[C@H]2C[C@@H]23)c(Br)c1 2308716385 QBRVUQDYADKYDW-SRHVSQOSSA-N 308.219 3.347 10 10 DGCE Cc1ccc(CNC[C@@H]2CC[C@H](C)O2)c(O)c1Br 2327623524 INFHUAOHCWZZQI-JQWIXIFHSA-N 314.223 3.120 10 10 DGCE CCC[C@@H](O)CCNCc1ccc(C)c(Br)c1O 2327622593 ZFJUUUKABGBULI-GFCCVEGCSA-N 316.239 3.104 10 10 DGCE Cc1ncc(N(C)Cc2ccc(C)c(Br)c2O)cn1 2352638415 PZVCQRXZXBGSGQ-UHFFFAOYSA-N 322.206 3.198 10 10 DGCE COc1cc(C)cc(CN2CCC(OCC(C)C)CC2)c1O 178863257 TWYYCQXBUMFXGM-UHFFFAOYSA-N 307.434 3.346 10 10 DGCE C[C@@H](N)c1ccc(N2CC[C@H](N3CCCCC3)C2)c(Cl)c1 62980886 SQBVNBFXDYTOAM-HIFRSBDPSA-N 307.869 3.424 10 10 DGCE CN(C)c1ccc(CNC(=O)CCc2cccc(F)c2)cc1 24616899 YCWDUFGYEDTKRV-UHFFFAOYSA-N 300.377 3.141 10 10 DGCE CC(C)[C@@H](C)CNC(=O)NCc1ccc(N2CCCC2)cc1 172376449 FYXBYCRRNWNZTG-HNNXBMFYSA-N 303.450 3.378 10 10 DGCE CN(Cc1noc(-c2ccccc2)n1)c1ccc2c(c1)OCO2 121304896 SPKABOSMJVEKPR-UHFFFAOYSA-N 309.325 3.102 10 10 DGCE CC[C@H](Oc1ccc(N)cc1)C(=O)c1ccc(OC)cc1OC 40353991 OFTJHXYZTKWDKX-INIZCTEOSA-N 315.369 3.326 10 10 DGCE COc1ccc(O)c([C@H](C)Nc2ccc(-n3nccn3)cc2)c1 192835718 XBXXJHFKEPANJR-LBPRGKRZSA-N 310.357 3.155 10 10 DGCE CCOc1ncccc1CN[C@@H](C)c1ccc(F)c(F)c1O 191198834 KRLBGGHAAZPASU-JTQLQIEISA-N 308.328 3.315 10 10 DGCE Cc1cc(C(=O)N2CCCC[C@@H]2CN)c(C)n1-c1ccccc1 237683621 ODTGJWBZZPTVKX-QGZVFWFLSA-N 311.429 3.048 10 10 DGCE CN(C)c1ccc(CN2CCc3c(cccc3[N+](=O)[O-])C2)cc1 93443632 OOTFTAAVPIQZMF-UHFFFAOYSA-N 311.385 3.219 10 10 DGCE CN[C@@H](C)c1ccc(N2CCCN3CCC[C@H]3C2)c(Cl)c1 252451356 INFVBSNYNZQJOX-ZFWWWQNUSA-N 307.869 3.295 10 10 DGCE CN1CC[C@H]2CCN(Cc3cc(Cl)cc(Cl)c3O)C[C@H]21 378469911 DQRIYXVRASZTDU-IINYFYTJSA-N 315.244 3.225 10 10 DGCE CN1[C@H]2CCC[C@H]1CC(NCc1cc(Cl)c(F)cc1O)C2 293675015 QYQBJZWLQMYMBZ-STQMWFEESA-N 312.816 3.290 10 10 DGCE C[C@@H](C(=O)NCc1cc(Br)ccc1O)C(C)(F)F 816654150 VRDPSAFDODWDJO-ZETCQYMHSA-N 322.149 3.062 10 10 DGCE C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@](C)(C(F)F)O1 827962087 FSCPUMZUXPYIBU-BDJLRTHQSA-N 316.367 3.136 10 10 DGCE Cc1cc(CN2CC[C@H]3CN(C)C[C@H]32)ccc1N1CCCCC1 829998723 NFKSQTAEIMLNCX-AZUAARDMSA-N 313.489 3.121 10 10 DGCE CCOc1ccc(CNC2CCC(OC(F)F)CC2)c(O)c1 825143529 FWZZKTFQTDGSCE-UHFFFAOYSA-N 315.360 3.431 10 10 DGCE CN(C)CCC1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 835027411 LXWSTTWNOKMYSZ-AATRIKPKSA-N 315.505 3.430 10 10 DGCE C[C@@H]1CN(Cc2cc3c(cc2O)CCC3)C[C@@H](C(F)(F)F)O1 744445452 VSNUVRIRHMXFDV-BMIGLBTASA-N 315.335 3.033 10 10 DGCE COc1cc(Br)cc([C@H](C)NC2CCC2)c1O 848534394 PKRKGBBSGWVBTR-QMMMGPOBSA-N 300.196 3.366 10 10 DGCE Cc1cc(O)c(CNCc2c3c(nn2C)CCCC3)c(Cl)c1 840948279 STNDGJXTGFVWAY-UHFFFAOYSA-N 319.836 3.256 10 10 DGCE CCOc1ccc(CN2CCC[C@@H](C3CCNCC3)C2)c(O)c1 849350797 WSLJPAUVTOGLCP-MRXNPFEDSA-N 318.461 3.003 10 10 DGCE O=C(O)CC[C@@H](Cc1ccccc1)NCc1cccc(F)c1O 840998575 NJWOPODFOMELAG-HNNXBMFYSA-N 317.360 3.097 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)CCC3CCCC3)C2)cc1 855234616 HBKWGCHHRXIGQZ-INIZCTEOSA-N 316.445 3.361 10 10 DGCE CN(Cc1ccccc1O)C(=O)c1ccc2c(c1)[C@H](CN)CCC2 852790066 NXMFKSWVJJMKJS-INIZCTEOSA-N 324.424 3.043 10 10 DGCE CN(C)c1ccc(/C=C\CNC[C@H]2CCN2C2CCCC2)cc1 858286206 UUQCXUXSFUZVJB-KKHYBRAUSA-N 313.489 3.372 10 10 DGCE CC(=O)CCC(C)(C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 775407861 XBWOLCPTQNTEPF-CQSZACIVSA-N 304.434 3.325 10 10 DGCE Cc1cc(Br)c(O)c(CN2CCO[C@H](C)[C@@H]2C)c1 781908690 KXKKEUVQFXMZSF-WDEREUQCSA-N 314.223 3.072 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@](C)(CNc2ccc(N)cc2)C1 1959383006 QGMMEJNSHDPQGC-QGZVFWFLSA-N 305.422 3.328 10 10 DGCE C[C@H](O)c1ccc(N2CC(C(F)F)C2)c(Br)c1 706503372 FSBKUYYMCVVABP-ZETCQYMHSA-N 306.150 3.204 10 10 DGCE CC[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1cc(F)ccc1F 1147218957 RXJTVRIARYDPLV-AWEZNQCLSA-N 321.323 3.186 10 10 DGCE CCN(CC)c1ccc(CN[C@@H]2CCN(C)[C@H]3CCC[C@@H]32)cc1 796694287 KZNPKPNRUFKILB-AQNXPRMDSA-N 315.505 3.495 10 10 DGCE C[C@@H](c1ccc(N(C)C)cc1)N(CC(=O)O)Cc1ccccc1 692425912 HYWQVLVXIZNMLH-HNNXBMFYSA-N 312.413 3.400 10 10 DGCE C[C@H](c1cc(F)ccc1O)N(CC(=O)O)Cc1ccccc1 692417145 ZZIFUPARONYLFA-GFCCVEGCSA-N 303.333 3.179 10 10 DGCE Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccccc2O)c1C 1171730537 NKXVURABORGLFR-LBPRGKRZSA-N 314.341 3.408 10 10 DGCE O=C(N[C@H]1CCCC[C@H]1CC(F)(F)F)c1cccc(O)c1O 1324488778 VZCUYIFSJDDPLZ-ONGXEEELSA-N 317.307 3.339 10 10 DGCE Cc1cc(CC(=O)N2CC[C@]23CCOC3)c(C)n1-c1ccccc1 1328746631 VZKKIXNGLPOFBO-HXUWFJFHSA-N 324.424 3.028 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@](C)(NCc2c(O)cccc2F)C1 1904618077 SHJMXFKSPSLGKT-KRWDZBQOSA-N 324.396 3.020 10 10 DGCE COc1ccc(CNC[C@@H](C)N(C)C(=O)C2=CCCC2)cc1C 1270939786 VLYPJFRXVIXYLB-OAHLLOKOSA-N 316.445 3.050 10 10 DGCE Cc1ccnc(-c2ccc(NC(=O)c3cc(O)cs3)cc2)n1 1443857404 DAYRORFFCYWRMY-UHFFFAOYSA-N 311.366 3.471 10 10 DGCE COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3C(C)(C)C)CC2)cc1 1458044430 OSXULOIQJMEMNU-IAGOWNOFSA-N 316.445 3.026 10 10 DGCE O=C(/C=C/c1cccnc1)N1CCCCc2ccc([N+](=O)[O-])cc21 1529464033 NSXOWQNBDKNWDV-RMKNXTFCSA-N 323.352 3.373 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H]1CCC(C)(C)CO1 1537803543 SMRRKPWDOQJEJB-KRWDZBQOSA-N 318.461 3.273 10 10 DGCE O=C(Cn1ccc2ccccc21)NCc1cccc(Cl)c1O 1606860144 GIHKZXHTOFNFMT-UHFFFAOYSA-N 314.772 3.317 10 10 DGCE C[C@@H](C(=O)NCc1ccc2cccnc2c1O)c1ccccc1F 1469249026 LHGXCISJDQPWFK-GFCCVEGCSA-N 324.355 3.499 10 10 DGCE CCc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1c(O)cccc1O 1472064068 SKRMJNLEEGCPGZ-LSDHHAIUSA-N 311.381 3.080 10 10 DGCE CN(Cc1ccccc1O)C(=O)c1cc(F)c2ncccc2c1 1545503361 XXCPXLMZEZNUNK-UHFFFAOYSA-N 310.328 3.352 10 10 DGCE CCCCC[C@@H](O)C(=O)NCc1ccc(N(CC)CC)c(F)c1 1627604533 LGHROOIXPMSLGH-QGZVFWFLSA-N 324.440 3.229 10 10 DGCE CN(C)c1ccc(CNC(=O)/C=C\C=C(Cl)Cl)cc1F 1625951470 BXRDCCXLEFHURU-HYXAFXHYSA-N 317.191 3.383 10 10 DGCE CCCC[C@@](C)(F)C(=O)C(=O)CC(C)(C)CC(=O)OCC 1634943579 ALJAGYZMALLZRQ-MRXNPFEDSA-N 302.386 3.413 10 10 DGCE CCCCC[C@@H](O)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C 1638243610 JEJONXBOAZEMRK-CRAIPNDOSA-N 320.477 3.049 10 10 DGCE CCCCCn1c(CC)nnc1N(C)Cc1ccccc1O 1728015664 XRKQXKJEENUALX-UHFFFAOYSA-N 302.422 3.373 10 10 DGCE CN(C[C@@H]1CCC[C@@H](C(F)(F)F)O1)c1ccc2c(c1)OCO2 1642299630 ARXSNTWEBRRQRO-FZMZJTMJSA-N 317.307 3.352 10 10 DGCE CCN(C)c1ccc(CN2CCCN(c3ccncc3)CC2)cc1 1643584403 DDCDSYGTPWYLPN-UHFFFAOYSA-N 324.472 3.250 10 10 DGCE CC/C(C)=C/C(=O)N[C@@H](C)CCNCc1ccc(OC)c(C)c1 1732692746 IEXOCOONCGCGSI-UKYUDJEDSA-N 318.461 3.344 10 10 DGCE Cc1oc2ccccc2c1CC(=O)NCc1ccc(O)cc1O 1643104425 YHTJNNKNOBCPDQ-UHFFFAOYSA-N 311.337 3.011 10 10 DGCE CCC1(CC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)COC1 1651177204 NZVJFEFQYZXRRK-UHFFFAOYSA-N 318.461 3.306 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@H](CC(C)C)OC)cc1F 1585697757 ABVWYBXTNOUYEF-KRWDZBQOSA-N 324.440 3.349 10 10 DGCE CC(=O)c1cc(Cl)cc(CNC2([C@@H]3CCCO3)CCC2)c1O 1660641181 GKXZJPFSBFXBKQ-HNNXBMFYSA-N 323.820 3.440 10 10 DGCE CC[C@@H](C)CONC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C 1682865591 BUHZDSIIUFYSGZ-UKRRQHHQSA-N 321.465 3.269 10 10 DGCE Nc1ccc(OCC(=O)Nc2ccccc2Br)cc1 19265694 MNBPLPPMJWVWJB-UHFFFAOYSA-N 321.174 3.049 10 10 DGCE CC(C)[C@H](NC(=O)OC(C)(C)C)[C@H](C)NCc1ccccc1O 1936096782 RHTAUNBSRXLZQT-BBRMVZONSA-N 322.449 3.420 10 10 DGCE CCOC(=O)[C@@](C)(CCCC(F)(F)F)NCCCN=[N+]=[N-] 163632376 ANNOOVRUIQDTCK-LLVKDONJSA-N 310.320 3.331 10 10 DGCE CCN1N=C(c2ccccc2)/C(=C/c2ccccc2[N+](=O)[O-])C1=O 1865678086 SHLJGMZZAQQZCE-QINSGFPZSA-N 321.336 3.245 10 10 DGCE CCN[C@H](c1ccccc1O)[C@H](NC(=O)OC(C)(C)C)C1CC1 1936973137 FHUUMYLPBPDWIM-HZPDHXFCSA-N 320.433 3.346 10 10 DGCE C[C@H](NCc1cccc(O)c1O)c1cnn(Cc2ccccc2)c1 1942381106 GMQQPVAWSJOPCR-AWEZNQCLSA-N 323.396 3.193 10 10 DGCE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN(CCCCN=[N+]=[N-])C1 1962301723 WJWFPYDHYQHWDE-STQMWFEESA-N 311.430 3.312 10 10 DGCE CSCC1CN(c2ccc([C@H](C)O)cc2Br)C1 1998204098 OOOFJKFEFHKZGI-VIFPVBQESA-N 316.264 3.302 10 10 DGCE CN(Cc1cc(Br)ccc1O)[C@@H]1CCC[C@H]1F 2006800547 BPJHCFKVGNEDDO-VXGBXAGGSA-N 302.187 3.477 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)c2cccc(Br)c2)C1 403635864 GHVPJDTUQIVYRM-NSHDSACASA-N 309.167 3.364 10 10 DGCE CN(C)C1CCC(Nc2c(N)cccc2Br)CC1 715535745 XJMTVWCOICNVIS-UHFFFAOYSA-N 312.255 3.316 10 10 DGCE COc1ccc([C@H](C)n2nc(C3CCCC3)cc2N)c(O)c1 2070201221 HMFXDVBFXXUAAA-NSHDSACASA-N 301.390 3.446 10 10 DGCE CCc1nn([C@H](c2cc(C)c(C)cc2O)C(C)C)c(N)c1N 2079952127 DHRCFIXRZVPOFF-INIZCTEOSA-N 302.422 3.178 10 10 DGCE CN[C@H](C)c1ccc(N2CC3(F)CC2C3)cc1Br 2048731341 PIRWBIMXNZBPBY-FDMSEYEVSA-N 313.214 3.420 10 10 DGCE CC(C)(C)[C@@H]1NCC[C@H]1Nc1c(N)cccc1Br 2072345994 PJPVZISMVHICST-DGCLKSJQSA-N 312.255 3.220 10 10 DGCE COc1ccc([C@@H](C)N[C@H]2CCC=C2Br)c(O)c1 2076080052 UVSPXHJCECAVPL-RNCFNFMXSA-N 312.207 3.493 10 10 DGCE CC1(C[C@](CSc2nccs2)(NC2CC2)C(=O)O)CC1 2207927787 GTGPNZCAGGQBLP-CQSZACIVSA-N 312.460 3.001 10 10 DGCE C[C@@H](N=c1c(F)c[nH]cc1Br)c1ccccc1O 2219375789 BRIPWLYJWRPHSX-MRVPVSSYSA-N 311.154 3.284 10 10 DGCE CN[C@@H](C)c1ccc(N2CC(OC(F)(F)F)C2)c(Cl)c1 2237637301 OYSXKVPKWCXVLB-QMMMGPOBSA-N 308.731 3.345 10 10 DGCE CNCc1ccc(N2C[C@H]3C[C@@H]3C2(C)C)c(Br)c1 2257027243 RRGZDVJSRXSQMU-NEPJUHHUSA-N 309.251 3.403 10 10 DGCE CCN1C(=O)C(=Cc2ccc(OC)c(COC)c2)SC1=S 2295452457 OYVAKSRTBULMGU-UHFFFAOYSA-N 323.439 3.063 10 10 DGCE CC[C@H](C(=O)O)N1C(=O)C(=Cc2cccc(C)c2)SC1=S 2293223786 NZNCPQMVKMWZBQ-LLVKDONJSA-N 321.423 3.059 10 10 DGCE COc1cc(OC)c(N(C)[C@@H](CO)C(C)(C)C)cc1Cl 2285920014 OOIRQWSUUMHVIL-AWEZNQCLSA-N 301.814 3.200 10 10 DGCE CCC1=NN(Cc2ccccc2)C(=O)C1=Cc1ccc(O)c(O)c1 2332094447 HDTZQEVXCAVCQB-UHFFFAOYSA-N 322.364 3.290 10 10 DGCE CN(c1ccc(CN)c(Br)c1)[C@H]1C[C@@H]2C[C@H]1[C@H]1C[C@@H]21 2330298793 IPAANTUIOIJFNU-XZHFZGJDSA-N 321.262 3.389 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)c2ccc(C)o2)c1 103511263 FKUAAHTYMZRMDE-NEPJUHHUSA-N 318.373 3.424 10 10 DGCE C[C@H](N[C@H](C)c1cn(-c2ccccc2)nn1)c1ccccc1O 179896108 QXANHHVYILGFLB-UONOGXRCSA-N 308.385 3.385 10 10 DGCE CN(CCc1ccc(N)cc1)C1CCN(Cc2ccccc2)CC1 310174015 URUKXBPIKNSSFB-UHFFFAOYSA-N 323.484 3.408 10 10 DGCE Cc1cc(F)cc2c1N(C(=O)/C=C/c1cnn(C)c1C)CCC2 122429047 LSHADIFXSCWOLO-VOTSOKGWSA-N 313.376 3.169 10 10 DGCE CN(C)Cc1c(O)ccc2c(=O)c(-c3ccccc3F)coc12 72238418 NCHGNRHJSAUMHE-UHFFFAOYSA-N 313.328 3.366 10 10 DGCE C[C@H](NC(=O)OC(C)(C)C)[C@H](C)N[C@H]1CCc2cccc(O)c21 381799817 UDFFUBYBVZUDEW-OBJOEFQTSA-N 320.433 3.271 10 10 DGCE N[C@H](c1cc(Br)cc(Cl)c1O)C(F)(F)F 95706547 DYGBMCIWNVRTJX-SSDOTTSWSA-N 304.493 3.370 10 10 DGCE Cc1nn(C)c(Cl)c1/C=C\C(=O)N(C)c1ccccc1F 255587032 AQXWPAWOPAKDAW-HJWRWDBZSA-N 307.756 3.197 10 10 DGCE CCN1CCc2cc([C@@H](NN)c3csc(Cl)c3)ccc21 2163131805 VHCTXIVRQDZZIZ-OAHLLOKOSA-N 307.850 3.337 10 10 DGCE O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1C[C@@H]1C(F)F 807835209 ABUPTICNZUNASJ-YUMQZZPRSA-N 310.127 3.216 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCOC[C@H]1C 802304660 JGRYFCCKJNAKMH-GDBMZVCRSA-N 320.433 3.129 10 10 DGCE C[C@H](N[C@@H]1CNCCC1(F)F)c1cccc(C(F)(F)F)c1O 817981049 PKFOQNNQCIKJRW-GZMMTYOYSA-N 324.293 3.059 10 10 DGCE Oc1ccc(-c2ccccc2)cc1CN1CC[C@](O)(C(F)F)C1 824726257 JXXGFIBMBVZTLD-GOSISDBHSA-N 319.351 3.261 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@H]2C(F)(F)F)cc1 822596741 ZLFLYLZNSBOXST-ZIAGYGMSSA-N 314.351 3.347 10 10 DGCE CCC[C@H](C)[C@@H](CO)NCc1cccc(Br)c1O 846017135 LJVPFQDTPUQZSJ-GXFFZTMASA-N 316.239 3.041 10 10 DGCE CCc1cccc(CN[C@@H](C)c2nnc3n2CCCCC3)c1O 848893190 RXRCHBCFVRYLGI-ZDUSSCGKSA-N 314.433 3.123 10 10 DGCE CC(C)(C)C[C@H]1CCCN1C(=O)NCCc1ccc(N)cc1 841957209 PJVJDCUUUPJFKI-MRXNPFEDSA-N 303.450 3.422 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)NCC[C@@H]1C[C@H]1C1CC1 924329348 UWYBQMHIFYCXAX-AEFFLSMTSA-N 315.461 3.330 10 10 DGCE Cc1ccc(O)c(CNC(=O)NC[C@@H]2CC(C)(C)OC2(C)C)c1 927625464 CETZUVUYVGVWRZ-AWEZNQCLSA-N 320.433 3.094 10 10 DGCE Cc1cn(C)nc1CN(Cc1ccco1)Cc1ccccc1O 929969521 CGRQDHOMVWCOOE-UHFFFAOYSA-N 311.385 3.230 10 10 DGCE COc1cc(C)cc(CN2CC3(CCCC3)OC[C@H]2C)c1O 853577862 LUKJDRJJEZHAQR-CQSZACIVSA-N 305.418 3.243 10 10 DGCE COc1cc(CN2C[C@@]34CCCC[C@]3(COC4)C2)c(O)cc1C 853622180 CUJNYKZMRIMEDV-RTBURBONSA-N 317.429 3.102 10 10 DGCE CCOc1ccc(CN2CC[C@H](C(C)(C)C)[C@@H](O)C2)c(O)c1 757864681 BTCHDWOVSPWHEI-RDJZCZTQSA-N 307.434 3.020 10 10 DGCE COc1ccc(CN[C@@H]2CCC[C@@H]2Cc2cnn(C)c2)cc1C 850384222 IRTGQBWIJROSIW-QZTJIDSGSA-N 313.445 3.238 10 10 DGCE C[C@@H](Cc1ccccc1)NC(=S)N1Cc2cccc(O)c2C1 865258752 MMXIRBSCMDRCAB-ZDUSSCGKSA-N 312.438 3.214 10 10 DGCE CCOC(=O)c1csc(C(C)(C)Cc2ccc(N)cc2)n1 58010422 MLLVJPKAGLJZHU-UHFFFAOYSA-N 304.415 3.422 10 10 DGCE CCOCc1cc(CN[C@@H]2CCNCC(C)(C)C2)ccc1OC 872251472 JKEYNDCUBUCJMA-QGZVFWFLSA-N 320.477 3.100 10 10 DGCE CCN1C[C@@H](c2ccccc2)Oc2ccc(N3CCNCC3)cc21 77017032 VRBHGPINVRAZBT-FQEVSTJZSA-N 323.440 3.056 10 10 DGCE C[C@H](NC(=O)N1CCC(F)(F)CC1)c1ccc(N(C)C)cc1 793061378 HNJZAWIFCVLICV-LBPRGKRZSA-N 311.376 3.254 10 10 DGCE CCCSCCNCc1c(O)cccc1Br 706841974 GMWWBFAFSPEECG-UHFFFAOYSA-N 304.253 3.388 10 10 DGCE Cn1cc(NCc2cc(Cl)cc(Br)c2O)cn1 708190659 MIHDMAFOKGJZGW-UHFFFAOYSA-N 316.586 3.154 10 10 DGCE CN(CCCn1cccc1)c1ccc(CN)cc1Br 2115191111 WHLJBEIAAVHHCB-UHFFFAOYSA-N 322.250 3.236 10 10 DGCE Cc1cc(CN(C)c2ccc([C@H](C)N)c(Br)c2)no1 2115102707 FEIIPNINIXTOJD-JTQLQIEISA-N 324.222 3.402 10 10 DGCE C[C@H](NC(=O)c1ccc(N(C)C)cc1F)c1ccccc1O 1171730935 SJJFFAPBMBEIKK-NSHDSACASA-N 302.349 3.088 10 10 DGCE c1cc(N2CCCC2)ccc1CN1CCC[C@@H]2COCC[C@H]21 1324777097 VDCBTEMXUHLCDW-IEBWSBKVSA-N 300.446 3.288 10 10 DGCE O=C(c1cc2cc(O)c(O)cc2s1)N1[C@H]2C=CC[C@H]1CC2 1331931519 QBHVVKSWZVVYGX-QWRGUYRKSA-N 301.367 3.246 10 10 DGCE CCc1ccc(N(CC2CC2)C(=O)/C=C\c2cnn(C)c2)cc1 1436309950 IOTFFCHFKREMOH-FLIBITNWSA-N 309.413 3.439 10 10 DGCE CCCNCc1ccc(N2CC(F)C2)c(Br)c1 1917006592 KQBZMHFBLZOMOF-UHFFFAOYSA-N 301.203 3.107 10 10 DGCE O=C(NCc1cccc(Cl)c1O)c1cccc2c1C(=O)CC2 1457033177 BQNYNTSUGHALSQ-UHFFFAOYSA-N 315.756 3.105 10 10 DGCE Cc1ccc(C(=O)NCC[C@H]2CCc3ccccc32)c(O)c1O 1450497219 VQACWISPZWTWQB-CQSZACIVSA-N 311.381 3.256 10 10 DGCE CC(C)[C@H](C(=O)NCc1c(O)cccc1O)c1ccc(F)cc1 1472062999 BMVYPUGNWQZAQJ-KRWDZBQOSA-N 317.360 3.293 10 10 DGCE O=C(NCc1ccc(O)cc1O)c1cccc(Cl)c1Cl 1557084850 QKHWKRMSJGBDNK-UHFFFAOYSA-N 312.152 3.335 10 10 DGCE C/C(=C/C(=O)NCCc1ccc(O)c(O)c1)c1ccccc1C 1622753331 RCJHDFRZIRGNPG-KAMYIIQDSA-N 311.381 3.168 10 10 DGCE CO[C@H](C(=O)N[C@@H](C)c1ccccc1O)c1ccc(F)cc1 1642830895 KWRQJZCZHSIDLP-ZBEGNZNMSA-N 303.333 3.096 10 10 DGCE Cc1ccc(C(=O)NCc2c(O)ccc3ccccc23)c(O)c1O 1647791983 YKQFSAGMQUFZHG-UHFFFAOYSA-N 323.348 3.195 10 10 DGCE CN(C)c1ccc(CN2CC[C@@](C)(C(=O)OC(C)(C)C)C2)cc1 1654650724 WGNHZTKAUFCPQN-LJQANCHMSA-N 318.461 3.306 10 10 DGCE CCN(CC)CCCCNC(=O)/C=C/c1ccc(N(C)C)cc1 169944719 WQGQZOVOCPRJRT-SDNWHVSQSA-N 317.477 3.004 10 10 DGCE CCCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc(N)cc1 1860078838 QZPYHZABSGFRAO-CYBMUJFWSA-N 314.385 3.464 10 10 DGCE CC(=O)Nc1cccc(/N=N/N2CCN(c3ccccc3)CC2)c1 1860486160 PSOUXJFYGCIRED-QZQOTICOSA-N 323.400 3.466 10 10 DGCE CC1=NN(Cc2ccccc2)C(=O)/C1=C/c1ccccc1C(=O)O 1865674264 WJOGPZVDHASYAM-GZTJUZNOSA-N 320.348 3.187 10 10 DGCE COc1cc(CNCc2ccccc2O)ccc1Br 1876911944 UKNFGKRAWTZPMQ-UHFFFAOYSA-N 322.202 3.453 10 10 DGCE CCc1nc(Br)cc(N(C)Cc2ccccc2O)n1 1877537079 DDCWXKBHDRKDEE-UHFFFAOYSA-N 322.206 3.144 10 10 DGCE C[C@H](N[C@@H](CCO)COCc1ccccc1)c1ccccc1O 1902792031 FJQCUWPPCDWOSL-RDJZCZTQSA-N 315.413 3.011 10 10 DGCE COc1cccc(CN2CCc3cc(F)c(F)cc3C2)c1O 895655754 KQCKAPVFVVQZKQ-UHFFFAOYSA-N 305.324 3.237 10 10 DGCE CNCc1ccc(N2CCS[C@@H](C)C2)c(C(F)(F)F)c1 137238438 BCMLUMFHGSFNHN-JTQLQIEISA-N 304.381 3.367 10 10 DGCE C[C@H](NCC1(Br)CCC1)c1c(O)cccc1O 2002766642 GAEXSUOYRPUXNJ-VIFPVBQESA-N 300.196 3.066 10 10 DGCE CCNCc1cc(F)c(N2CCS[C@@H](CC)C2)c(F)c1 157796530 DMQFMVNGTRRAAE-LBPRGKRZSA-N 300.418 3.406 10 10 DGCE COc1ccc(N2CCC[C@H](OCc3ccccc3)C2)c(N)c1 1987055111 TTWCYFAHKGDGAW-KRWDZBQOSA-N 312.413 3.463 10 10 DGCE CN(c1ccc2c(c1)CC[C@H]2O)[C@H]1CCN(Cc2ccccc2)C1 2012707294 RBNMPXIFFSIIHA-PZJWPPBQSA-N 322.452 3.377 10 10 DGCE COc1ccc(Br)cc1NCc1cccc(O)c1O 49563273 UQCQNCSEZJXSIU-UHFFFAOYSA-N 324.174 3.481 10 10 DGCE C[C@H](c1cc(Cl)ccc1O)N1CCN(CCCF)CC1 402852828 OMASOGYHXCQIGW-GFCCVEGCSA-N 300.805 3.084 10 10 DGCE COCCNCc1ccc(N2CCC(F)CC2)c(Cl)c1 689419149 MLCWAPIOZNQEAU-UHFFFAOYSA-N 300.805 3.014 10 10 DGCE C[C@@H]1CCSCCN1c1ccc(CN)c(C(F)(F)F)c1 385337487 CZLDHEHBJIYNFU-SNVBAGLBSA-N 304.381 3.496 10 10 DGCE Nc1ccc(C[C@H](O)Cc2cccc(F)c2Br)cc1 696585382 UHZKJOZIZMFTMM-ZDUSSCGKSA-N 324.193 3.317 10 10 DGCE COc1ccc(O)c([C@H](C)n2nc(C)cc2Br)c1 2070162132 WNLIFQUWHHVBOT-VIFPVBQESA-N 311.179 3.278 10 10 DGCE C[C@H](NC(=O)c1ccoc1Br)c1ccccc1O 1557968204 UBOWGTLZZKSYJL-QMMMGPOBSA-N 310.147 3.239 10 10 DGCE CN[C@H](C)c1cc(F)c(N2CC(C)(CSC)C2)c(F)c1 2194697612 PFTPJWBKCRLVIV-SNVBAGLBSA-N 300.418 3.435 10 10 DGCE CN(C[C@H]1C[C@H]1CF)c1ccc(CN)c(Br)c1F 2071385703 ZPSGSYVCAAXEFV-VHSXEESVSA-N 319.193 3.089 10 10 DGCE CNCc1ccc(N(C)C[C@@H]2C[C@H]2CF)c(Br)c1 2071384701 WZVHBBLGIPKJNW-RYUDHWBXSA-N 315.230 3.210 10 10 DGCE Cc1ccnc([C@H](O)c2ccc(N(C)C)cc2)c1Br 2106795927 MAVMPMMHFUPHRH-OAHLLOKOSA-N 321.218 3.300 10 10 DGCE Cc1nc2c(s1)CCN(c1ccc(CO)cc1Cl)CC2 2287239546 OVCHPZZZBNVEKI-UHFFFAOYSA-N 308.834 3.202 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)C=Cc1cncc(F)c1 2301498032 ONZPXGSICNYTDT-UHFFFAOYSA-N 314.360 3.378 10 10 DGCE Cc1ccc(/C=C/C(=O)N2C[C@@H](C)C(=O)Nc3ccccc32)cn1 493466472 RVRNLGUTKHFXOQ-WTNCMQEWSA-N 321.380 3.025 10 10 DGCE O=C(O)c1nc2c(O)cccn2c1N=Nc1cccc(F)c1 2320774322 PQQJNAZRGWGNQT-UHFFFAOYSA-N 300.249 3.293 10 10 DGCE CCN1N=C(c2ccccc2)C(=Cc2ccc(O)c(OC)c2)C1=O 2332134810 MPPWHOMCRVOLIE-UHFFFAOYSA-N 322.364 3.051 10 10 DGCE COCCNCc1cnc(SCC[C@H](C)C(F)F)s1 2338639126 ZCCANIWNQHRGQM-VIFPVBQESA-N 310.435 3.263 10 10 DGCE C[C@@H](Cc1ccccc1F)NC(=O)N(C)Cc1ccccc1O 54623249 FSUMAWRKIVOLRY-ZDUSSCGKSA-N 316.376 3.304 10 10 DGCE Cc1ccc(C(=O)N2CCCC[C@H]2c2nccs2)c(O)c1O 179523601 MXBXQOSMCGMVHS-LBPRGKRZSA-N 318.398 3.230 10 10 DGCE Oc1cc2c(cc1CN1CC=C(c3cccs3)CC1)OCO2 117865055 WWRGIDIREGNQEB-UHFFFAOYSA-N 315.394 3.472 10 10 DGCE CCC[C@H](C)N(C)c1c(F)cc(CNCCOC)cc1F 62736082 JSTDPZCDQDRVLP-LBPRGKRZSA-N 300.393 3.326 10 10 DGCE CN(C[C@H](O)c1ccccc1Cl)c1ccc2c(c1)OCO2 121302541 DEKNQTVNSQGNCL-AWEZNQCLSA-N 305.761 3.239 10 10 DGCE COc1cc(Cl)cc(CN2CC[C@@](F)(C(F)F)C2)c1O 2362835475 USCOWILGRAOUFI-ZDUSSCGKSA-N 309.715 3.233 10 10 DGCE COc1cc(Cl)c(N(CCO)CC(C)(C)C)c(OC)c1 2368271482 OLGKVFYNXLSCHX-UHFFFAOYSA-N 301.814 3.202 10 10 DGCE CSC1(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)CCC1 193812377 MCOQNWXMQWWQOI-HNNXBMFYSA-N 320.502 3.460 10 10 DGCE Cc1c(C)n(C)c2ccc(OCC(=O)N(C)CC3CC3)cc12 421186324 DWRPHZJYOPXBGR-UHFFFAOYSA-N 300.402 3.042 10 10 DGCE O=C(/C=C/c1cnc2ccccn12)N1CCCc2ccccc21 96572632 UXNJGDWJBVNCRS-ZHACJKMWSA-N 303.365 3.327 10 10 DGCE Cc1cncc(/C=C\C(=O)N(C[C@H]2CCCO2)c2ccncc2)c1 255918219 UZRZEIUSPJHLIF-PYTPGESOSA-N 323.396 3.010 10 10 DGCE C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@H]1N(C)C 251840275 QJNMIAZIBFQRNK-NOZJJQNGSA-N 303.233 3.081 10 10 DGCE Clc1ccc(C2=CCN(c3ncnc4[nH]ccc34)CC2)cn1 362033537 UOXHYWLSZKHSFF-UHFFFAOYSA-N 311.776 3.300 10 10 DGCE CCOCc1nc([C@@H](C)N[C@H](C)c2ccc(C)cc2O)no1 290200343 PCAOBAVCMGTDHM-VXGBXAGGSA-N 305.378 3.032 10 10 DGCE CC1(C(=O)NCc2cccc(Br)c2O)C[C@@H]2C[C@H]2C1 816495765 IWBVJMIJOXLNAF-QWRGUYRKSA-N 324.218 3.207 10 10 DGCE COc1cccc2c1[C@H](C(=O)N(C)Cc1ccccc1O)CC2 815796600 DCTDQNSGEJTZLH-OAHLLOKOSA-N 311.381 3.089 10 10 DGCE CC(C)Cn1nc(Cc2ccc(N)cc2)c2ccccc2c1=O 821186695 JCFZPWFQZURQBR-UHFFFAOYSA-N 307.397 3.226 10 10 DGCE Cc1cc(Cl)cc(CN[C@@H]2CCC[C@@H]([S@](C)=O)C2)c1O 826911316 VZINFLUQIXLRMH-JZKQVHKSSA-N 315.866 3.133 10 10 DGCE Cc1cnn([C@H]2CCN(C/C=C\c3ccc(N(C)C)cc3)C2)c1 835052666 ILNPBORSSVVLGW-HMECNJMJSA-N 310.445 3.218 10 10 DGCE CCCN1CC[C@H](CNC/C=C\c2ccc(N(C)C)cc2)C1 835034564 BLNSVELDHAVOJA-OOFWQKGWSA-N 301.478 3.087 10 10 DGCE Cc1cc(CO)cc(C)c1CN[C@@H](C)c1ccc(F)cc1O 903307554 KAIXNJBRZRUDJS-ZDUSSCGKSA-N 303.377 3.491 10 10 DGCE C/C(=C/c1ccncc1)C(=O)NCc1ccc(N(C)C)cc1C 846876436 SBTIVQKPFGFGIL-PTNGSMBKSA-N 309.413 3.176 10 10 DGCE Cc1cc(Cl)cc(CN2CCCC[C@H]2[C@@H]2CCNC2)c1O 841086264 GWMRLOOMHJDTEW-CJNGLKHVSA-N 308.853 3.318 10 10 DGCE CN(Cc1ccc(N2CCOCC2)c(F)c1)C[C@@H]1CC=CCC1 753577374 UDELOGYVTMPRAF-MRXNPFEDSA-N 318.436 3.450 10 10 DGCE C[C@H](NC[C@]12OCCC[C@H]1C2(F)F)c1cc(F)cc(F)c1O 850533011 QXJBZCQWGQUDTO-PELMWDNLSA-N 319.298 3.135 10 10 DGCE CCOCc1cc(CNC[C@@H]2CCC[C@H](C)O2)ccc1OC 850379692 VLHGFFDOUOHJOH-YOEHRIQHSA-N 307.434 3.279 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)c3csc(C)c3)C2)cc1 855223206 CLNKUFPZABJVQT-CQSZACIVSA-N 316.426 3.074 10 10 DGCE COc1ccc(N2CC[C@@H](CNC3CC(CF)(CF)C3)C2)cc1 850475340 ZILUFFSZZSEZOR-AWEZNQCLSA-N 324.415 3.199 10 10 DGCE COc1cccc([C@H](C)N[C@@H](c2ccccc2)[C@@H](C)O)c1O 850585485 YPJLPYVBZVWWOZ-OGHNNQOOSA-N 301.386 3.174 10 10 DGCE COc1ccc(N2CCC(NCc3oc(C)nc3C)CC2)cc1 862274469 OOTNSGBRZRGUAP-UHFFFAOYSA-N 315.417 3.059 10 10 DGCE COCc1nc2cc(F)c(F)cc2n1Cc1ccc(N)cc1 57867218 KOZYHDKYRDCQOW-UHFFFAOYSA-N 303.312 3.091 10 10 DGCE COC(=O)[C@H]1C[C@@H](C)CCN1Cc1cc(Cl)cc(C)c1O 776004233 ZUBSJACONAMFAD-IINYFYTJSA-N 311.809 3.128 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)C[C@H]1CCCOC1 1124550147 ZWBKFJUOXFJXJY-QGZVFWFLSA-N 316.445 3.062 10 10 DGCE CN(C[C@H]1CC1(C)C)C(=O)c1cc2cc(O)c(O)cc2s1 899019074 DUTAXKVFOFBKHZ-SNVBAGLBSA-N 305.399 3.431 10 10 DGCE COc1ccc(CNc2cc(C)nc(-c3ccccn3)n2)c(O)c1 795283608 DLTANNYADKDPBS-UHFFFAOYSA-N 322.368 3.173 10 10 DGCE CO[C@H](CNCc1ccc(Br)cc1O)C1CCC1 692916709 VKAJZJCWLZDMTE-CQSZACIVSA-N 314.223 3.059 10 10 DGCE C[C@H](NC(=O)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21)c1ccc(N(C)C)cc1 1226646951 LVQHWCCKTCFRMZ-QLGPGMLCSA-N 313.445 3.157 10 10 DGCE C[C@@H](NC(=O)c1cc(-c2ccccc2)[nH]n1)c1ccccc1O 1302530155 BYRWWGPHWQMYOC-GFCCVEGCSA-N 307.353 3.273 10 10 DGCE CCc1cccc(CC(=O)NCc2ccc3cccnc3c2O)c1 1162613220 ZMIOLELYMUEHSE-UHFFFAOYSA-N 320.392 3.362 10 10 DGCE COc1ccc(CNC(=O)NCC2C[C@H](C)C[C@@H](C)C2)c(O)c1 1312985258 WCUUDSMJSMSSRY-CHWSQXEVSA-N 320.433 3.272 10 10 DGCE COc1ccc(N2CCN(CCC=C(C)C)CC2)c(OC)c1 1175522745 LOEVTICFAZWLDC-UHFFFAOYSA-N 304.434 3.182 10 10 DGCE C[C@H](NC(=O)NCc1c(F)cc(F)cc1F)c1ccccc1O 1248551389 AGXVIMNFZFHITI-VIFPVBQESA-N 324.302 3.370 10 10 DGCE CCOC(=O)c1ccccc1N(C)C(=O)/C=C\c1cccnc1C 1264962044 VKISGCUWNVRIPC-QXMHVHEDSA-N 324.380 3.243 10 10 DGCE CN[C@@H](C)c1ccc(N(Cc2ccccc2)[C@@H](C)CO)cc1O 1914361033 VDYAVDLNGVIEJP-GJZGRUSLSA-N 314.429 3.060 10 10 DGCE CCN(CC)c1ccc([C@H](O)c2n[nH]cc2Br)cc1 2134191656 KXSWFMSCUWJIKV-AWEZNQCLSA-N 324.222 3.100 10 10 DGCE O=C(Cc1ccc(C2CCC2)cc1)NCc1cccc(O)c1O 1350314709 GTPGRUMEJGJFGG-UHFFFAOYSA-N 311.381 3.224 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H]1CC2CCC1CC2 1452140643 NGOWPJWSXRCHMX-IDDZNXABSA-N 301.386 3.054 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@](C)([C@@H](N)c2ccccc2O)C1 1916518159 DSNHPIAXWOTOOV-MRAWALMUSA-N 320.433 3.476 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1cccc2c1OCC2 1456307822 FGXYWLWSYYWTGN-UHFFFAOYSA-N 319.360 3.410 10 10 DGCE COc1ccc(-c2nc(=NCc3cc(C)ccc3O)cc[nH]2)cc1 1458499613 VYMBLTIUWAPEMP-UHFFFAOYSA-N 321.380 3.200 10 10 DGCE CC(C)COc1cccc(C(=O)NCc2cc(O)ccc2O)c1 1471660907 MUTUIBTXNYJCQZ-UHFFFAOYSA-N 315.369 3.063 10 10 DGCE O=C(c1cccc(O)c1O)N1CCCSc2ccccc21 1542586547 RLUHRCKGQBMOAP-UHFFFAOYSA-N 301.367 3.240 10 10 DGCE O=C(NC[C@@H]1C[C@H]2CC[C@H]1C2)c1cc2cc(O)c(O)cc2s1 1556492900 RAODFXKZNNCFCX-NHCYSSNCSA-N 317.410 3.479 10 10 DGCE CC[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccccn1 1637446848 RRKZBWUJKKLJCP-ZDUSSCGKSA-N 311.345 3.125 10 10 DGCE Cc1ccc(O)c(CNC(=O)Cc2coc(-c3ccccc3)n2)c1 1645800509 HIZCUNOVEJXSIF-UHFFFAOYSA-N 322.364 3.215 10 10 DGCE CCCCC[C@H](O)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1587551963 JLGBPXBPHMAWJQ-SFHVURJKSA-N 318.461 3.186 10 10 DGCE C[C@H](NC(=O)c1oc2ccccc2c1CO)c1ccccc1O 1587451152 JRUSYHCLWQQPOQ-NSHDSACASA-N 311.337 3.122 10 10 DGCE CCN1C(=O)/C(=C/c2cccc(-n3cccn3)c2)SC1=S 203054311 FROLSWZWHSBCKZ-RAXLEYEMSA-N 315.423 3.093 10 10 DGCE CCN1N=C(c2ccccc2)/C(=C/c2ccc(N(C)C)cc2)C1=O 1865654575 YIEOVFBBQJTTHC-JXAWBTAJSA-N 319.408 3.402 10 10 DGCE C[C@H](N[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)c1ccc(F)cc1O 1938282002 PIWVVZORGCIOSK-DRZSPHRISA-N 324.396 3.238 10 10 DGCE C[C@H](NCc1c(O)cccc1Br)[C@H]1CC1(F)F 1942438626 HISOGCNPWJUTOF-IONNQARKSA-N 306.150 3.288 10 10 DGCE Cc1cc(Br)cnc1NC(=O)Nc1ccc(N)cc1 1876152339 DQNCTXLXIPONFF-UHFFFAOYSA-N 321.178 3.379 10 10 DGCE COc1ccc(CN(C)Cc2ccccc2O)c(F)c1OC 893962755 SMBLLRABRATYFC-UHFFFAOYSA-N 305.349 3.181 10 10 DGCE Oc1c(F)cc(Br)cc1CNCC1(Cl)CC1 1991671647 PXHPBAAXECAJPX-UHFFFAOYSA-N 308.578 3.155 10 10 DGCE CN(C)c1ccc([C@H](N)CC(C)(C)NC(=O)OC(C)(C)C)cc1 1977944380 FGZWOAHRLKKCCS-OAHLLOKOSA-N 321.465 3.446 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNCc2ccc(N)cc2)C1 1986189666 KLFDKYDTFICUQR-GOEBONIOSA-N 319.449 3.052 10 10 DGCE CN(C)c1ccc([C@@H](O)c2ncsc2Br)cc1 1999502294 DBBHEHPNOMDRFK-LLVKDONJSA-N 313.220 3.053 10 10 DGCE CN1CCCC[C@H]1CNCc1cc(Cl)cc(Cl)c1O 44561646 ATUHEFLQFDJQPF-LBPRGKRZSA-N 303.233 3.273 10 10 DGCE CC(C)(C)OC(=O)N1CCC(NCc2ccc(F)cc2O)CC1 293642236 OCNULXUPWSODBY-UHFFFAOYSA-N 324.396 3.020 10 10 DGCE CCN[C@@H](CSc1nccs1)c1csnc1OC 2031564537 LBWSIMQICDXXLK-VIFPVBQESA-N 301.462 3.051 10 10 DGCE CN[C@@H]1CCCN(c2ccc(OC(F)(F)F)c(Cl)c2)C1 401252291 COHGZPZJVCMNBL-SECBINFHSA-N 308.731 3.427 10 10 DGCE CN(Cc1ccns1)c1ccc(CN)cc1C(F)(F)F 404441512 LHPIIBBZFZLOIX-UHFFFAOYSA-N 301.337 3.257 10 10 DGCE CC(=O)c1ccsc1NC(=O)C1=S=Nc2ccccc21 2159962522 XWEWBPCVSWUWDN-UHFFFAOYSA-N 302.380 3.021 10 10 DGCE C[C@H](N)c1ccc(N2CCS[C@@H]3COCC[C@H]32)c(Cl)c1 2170487706 SCLHNDVWFUFKTP-COLVAYQJSA-N 312.866 3.070 10 10 DGCE CN[C@@H](c1ccc(N(C)C)cc1)[C@H](O)c1sccc1Cl 2163129780 AUIMDBBPUKZALE-KBPBESRZSA-N 310.850 3.462 10 10 DGCE CC[C@H](c1ccc(C)cc1O)n1nc(C2(C)CC2)c(N)c1N 2079023355 QDQVCYOINVBGMJ-GFCCVEGCSA-N 300.406 3.112 10 10 DGCE C[C@H](N)c1ccc(N(C)C[C@@H]2C[C@@H]2F)c(Br)c1 1908965352 NVDUINPETOCLTI-PEXQALLHSA-N 301.203 3.263 10 10 DGCE CCOC(=O)[C@H]1Nc2c(Cl)ccc(C(=O)O)c2[C@H]2C=CC[C@H]12 4829048 DXRRYTCUQOXXIL-RVBZMBCESA-N 321.760 3.055 10 10 DGCE C[C@@H](O)c1ccc(N(C)Cc2cnco2)c(Br)c1 2043637485 FLGIFEUULAMTQY-SECBINFHSA-N 311.179 3.127 10 10 DGCE CN[C@H](C)c1cc(F)c(N2CC[C@H](CSC)C2)c(F)c1 2194695003 QEPLEKGXXQRCEU-MNOVXSKESA-N 300.418 3.435 10 10 DGCE CP(C)(=O)[C@@H]1CCCN(c2ccc(CO)c(Cl)c2)C1 2103080036 RXRJOYDZIGPORD-CYBMUJFWSA-N 301.754 3.424 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C[C@H]2Oc2ccc(N)cc2)C1 2210213339 LLHZEQLBPZIBBV-DAXOMENPSA-N 318.417 3.293 10 10 DGCE C[C@H](O)c1cc(F)c(N(C)C2CSCCSC2)c(F)c1 2237052990 CZFYXDFFFAISRH-VIFPVBQESA-N 319.442 3.303 10 10 DGCE C[C@H](N)c1ccc(N2CC[C@@H](OC(F)(F)F)C2)cc1Cl 2238904072 ISRVKFWIOUAEKF-WCBMZHEXSA-N 308.731 3.475 10 10 DGCE COc1ccc(N(CCCO)Cc2ccccc2)c(OC)c1C 2246014323 LHMOWDYTRHRELM-UHFFFAOYSA-N 315.413 3.401 10 10 DGCE Nc1ccc(O)c(CN2CCC(SC(F)(F)F)CC2)c1 2289991151 RYOCMABHZAEHEA-UHFFFAOYSA-N 306.353 3.192 10 10 DGCE CC1=NN(Cc2ccccc2F)C(=O)C1=Cc1cccc(O)c1 2332094857 PAXBBJFMOGROMA-UHFFFAOYSA-N 310.328 3.333 10 10 DGCE CC1=NN(Cc2ccccc2F)C(=O)C1=Cc1ccccc1O 2332140133 FCAHGISPEGVPTH-UHFFFAOYSA-N 310.328 3.333 10 10 DGCE Cc1ccc(CNC[C@@H]2CC(C)(C)O2)c(O)c1Br 2327611770 GJHIZGMXIZAPDW-NSHDSACASA-N 314.223 3.120 10 10 DGCE Cc1ccc(O)c([C@H](C)NCCCNC(=O)c2cccs2)c1 186031523 SUVLLPHYOKVDAK-ZDUSSCGKSA-N 318.442 3.233 10 10 DGCE CC[C@@H]1COCCN1[C@@H](C)c1cc(Br)ccc1O 132339496 FDYSIGABWQEQEJ-CMPLNLGQSA-N 314.223 3.327 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H](N)C[C@@H]1c1ccc(Cl)cc1O 1952452641 NXLLEHOCFBEFLR-CMPLNLGQSA-N 312.797 3.055 10 10 DGCE COc1cc(Cl)c(NCc2cccc(O)c2O)cc1OC 41117194 QPODLMIYKCOXER-UHFFFAOYSA-N 309.749 3.381 10 10 DGCE CN(C)c1ccc(CN2CCC(C3CCOCC3)CC2)cc1 93704907 KUPDBZOPZHRSMU-UHFFFAOYSA-N 302.462 3.391 10 10 DGCE Nc1ccc(Oc2cc(Br)cc([N+](=O)[O-])c2)nc1 236356443 AMRWZMVAMSFXGJ-UHFFFAOYSA-N 310.107 3.127 10 10 DGCE CCn1ncc(CN[C@@H](C)c2cc(Cl)c(Cl)cc2O)n1 527923547 KVGPKBABPBESLO-QMMMGPOBSA-N 315.204 3.161 10 10 DGCE C[C@@H](N[C@H]1CCc2nc[nH]c2C1)c1cc2c(cc1O)CCCC2 377802498 KIONZWDLRYQRLL-DOMZBBRYSA-N 311.429 3.202 10 10 DGCE OCC[C@@H](CNCc1cc(Cl)c(F)cc1O)c1ccccc1 293673389 QUFNVBANZTVAIM-ZDUSSCGKSA-N 323.795 3.441 10 10 DGCE CCOc1ccc(O)c(CN2CC(COC)(C3CCC3)C2)c1 827012308 WKEJPDOMDCTXGW-UHFFFAOYSA-N 305.418 3.039 10 10 DGCE O=C1NCC[C@H]1CCOc1ccc(N2CCCCC2)c(Cl)c1 902446736 VPGHJFMNSZBBMW-ZDUSSCGKSA-N 322.836 3.235 10 10 DGCE Cc1cc(O)c(CN2CCC(NC(=O)C(C)C)CC2)c(Cl)c1 840909653 GFAYKTOEUGUCFN-UHFFFAOYSA-N 324.852 3.091 10 10 DGCE NC1(CNCc2cc(Cl)cc(F)c2O)CCCCCC1 841044138 WPABQWJUIRLGPI-UHFFFAOYSA-N 300.805 3.326 10 10 DGCE O=C(CC[C@@H]1CC1(Cl)Cl)NCc1c(O)cccc1F 928709759 FRDQBDSTNOPFHR-MRVPVSSYSA-N 306.164 3.122 10 10 DGCE COc1ccc(N2CC[C@H](N[C@@H](C)c3ccns3)C2)cc1 926679415 DYKGPTOPASQCAB-STQMWFEESA-N 303.431 3.081 10 10 DGCE COc1cccc([C@H](C)N[C@H](C2CC2)[C@H]2CCCOC2)c1O 927066563 MLDZBMNBLFCMST-RVSPLBMKSA-N 305.418 3.257 10 10 DGCE Oc1cc2c(cc1CN1C[C@]34CCCC[C@@]3(COC4)C1)CCC2 853623728 IXUWEEJBRYLZPE-PMACEKPBSA-N 313.441 3.274 10 10 DGCE CN(C)c1cc(F)c(CNc2nnc(C(F)(F)F)o2)cc1F 865290770 ATBRNSSKPREDOX-UHFFFAOYSA-N 322.237 3.045 10 10 DGCE CCOC[C@H](C)N[C@H](C)c1cc(Br)cc(F)c1O 779070969 CEBKWMTYPAIVBE-DTWKUNHWSA-N 320.202 3.369 10 10 DGCE Cc1ccc(CC[C@H](C)NC(=O)/C=C\c2ccc(O)c(O)c2)o1 779523447 BZJIUMWYNHOWEP-GYGFLDJKSA-N 315.369 3.150 10 10 DGCE C[C@H]1CN2CCC[C@H]2CN1Cc1cc(Cl)cc(Cl)c1O 245888789 JETXGHBMIWWGAU-GWCFXTLKSA-N 315.244 3.368 10 10 DGCE COc1cc(Cl)cc(CNCC[C@H]2CC(C)(C)CO2)c1O 895802580 MWENONGQISVJBJ-ZDUSSCGKSA-N 313.825 3.349 10 10 DGCE O=C(NC[C@@H]1CCC[C@H]2C[C@@H]21)c1cc2cc(O)c(O)cc2s1 1147563683 IMICCDGVOCUDPS-NHCYSSNCSA-N 317.410 3.479 10 10 DGCE CC(C)c1ncncc1C(=O)NCc1c(O)ccc2ccccc12 1157041979 RTRKEDPSLBWECJ-UHFFFAOYSA-N 321.380 3.389 10 10 DGCE CCOc1ccc(CN2CC(CC3CCOCC3)C2)c(O)c1 1331566079 LWOMZIFPNNBLFK-UHFFFAOYSA-N 305.418 3.039 10 10 DGCE CCCN[C@H](c1ccccc1O)[C@H]1CCN1C(=O)OC(C)(C)C 1912940463 MXPNAVADDIRSLE-GDBMZVCRSA-N 320.433 3.442 10 10 DGCE CO[C@@H]1CCC[C@H]1NC(=O)c1ccc(-n2c(C)ccc2C)cc1 1273240927 ZFPPPKBOVCETPP-QZTJIDSGSA-N 312.413 3.391 10 10 DGCE CO[C@@H]1CCN(c2ccc([C@H](C)O)c(Br)c2)[C@@H]1C 1914235123 AJWRBXMMGXUCMP-ISTVAULSSA-N 314.223 3.116 10 10 DGCE C[C@@H](CNCc1cc(Br)cc(F)c1O)C(F)F 1922257955 GMNCAGBOOQMVOT-LURJTMIESA-N 312.129 3.285 10 10 DGCE CC[C@@H](O)c1ccc2c(c1)[C@@H](C)C(=O)N2Cc1ccc(N)cc1 213206752 XKNOLGXEIVCXPQ-KZULUSFZSA-N 310.397 3.363 10 10 DGCE CN1CCc2cc(CNc3cncc(Br)c3)ccc21 120961221 FSTGXCNRLIDVSS-UHFFFAOYSA-N 318.218 3.449 10 10 DGCE C[C@@H](NC(=O)c1ccc(CN2CCCC2)o1)c1ccccc1O 1643742226 ULGSKEIUNRCHGU-CYBMUJFWSA-N 314.385 3.072 10 10 DGCE CC(C)[C@@H]([C@H](N)c1ccccc1O)N(C)C(=O)OC(C)(C)C 1962445344 HBEMNWKEOOPNFS-CABCVRRESA-N 308.422 3.284 10 10 DGCE CNC(=O)c1cccc2c1N[C@@H](c1cccnc1)[C@H]1CC=C[C@H]21 14547551 BQTHGZRZHNLOQC-ZQIUZPCESA-N 305.381 3.268 10 10 DGCE COC(C)(C)C[C@@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1 155311402 AWXZAMQWRPLLOT-CVEARBPZSA-N 320.477 3.377 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@]1(C)[C@H](N)c1ccccc1O 1936969617 ZWACMFNKMIYFTB-DWQUBVKVSA-N 320.433 3.285 10 10 DGCE COC1(C(F)(F)F)CC(NCc2c(O)cccc2Cl)C1 1875685003 XRFKMTNJGDHWDW-UHFFFAOYSA-N 309.715 3.245 10 10 DGCE Oc1ccc(Br)cc1CN1CC[C@H](CCF)C1 1969934736 YCNOKQCDJYZKLF-JTQLQIEISA-N 302.187 3.336 10 10 DGCE CC(C)(C)OC(=O)N1CC2(CCC[C@@H]2Nc2ccccc2N)C1 1977664500 MJWOGNSWDABHEX-HNNXBMFYSA-N 317.433 3.470 10 10 DGCE CN(C)c1ccc([C@H](N)C(C)(C)N(C)C(=O)OC(C)(C)C)cc1 1977944270 CSZCOFSYUZGJKR-HNNXBMFYSA-N 321.465 3.398 10 10 DGCE FC1(F)CN(c2ccc(CNC3CC3)c(Cl)c2)CCO1 2152298678 RYOSWYYFCCKINS-UHFFFAOYSA-N 302.752 3.021 10 10 DGCE CN1CCCc2cc([C@H](N)C(F)(F)Br)ccc21 2000257116 SPBDJBZFDQDTLC-NSHDSACASA-N 305.166 3.057 10 10 DGCE C[C@H](N)c1ccc(N(C)C[C@H]2C[C@@H]2F)cc1Br 2014704120 CSAAUTQFAMJFPP-RWEMILLDSA-N 301.203 3.263 10 10 DGCE CSC1CC(CNCc2cccc(Br)c2O)C1 2016142094 XAHPDJBYYNWQBL-UHFFFAOYSA-N 316.264 3.386 10 10 DGCE CO[C@H]1CCCC[C@H]1NCc1ccc(Br)cc1O 2027931688 FBMXJEHUAPDIGO-OCCSQVGLSA-N 314.223 3.202 10 10 DGCE C[C@@H]1CN(Cc2cccc(Br)c2O)[C@H](C)CCO1 2031606616 HVUJCSFMWFTXAH-GHMZBOCLSA-N 314.223 3.154 10 10 DGCE COC[C@@H](C)CN(C)Cc1cc(Br)cc(F)c1O 715724692 KQSNBTDMRYDORI-VIFPVBQESA-N 320.202 3.008 10 10 DGCE CN(Cc1cccc(Br)c1O)[C@H]1COC(C)(C)C1 396548785 VNHLHPDCJKWPCV-LLVKDONJSA-N 314.223 3.154 10 10 DGCE O=C(O)c1cc(C2CCCC2)nn1Cc1cc(F)ccc1O 2069906243 WBUSSPXMGBIOEH-UHFFFAOYSA-N 304.321 3.132 10 10 DGCE CCc1nn([C@@H](c2cc(C)c(C)cc2O)C2(C)CC2)c(N)c1N 2079945934 NYRQMDMVSFVNOE-INIZCTEOSA-N 314.433 3.322 10 10 DGCE CNCc1ccc(N(C)[C@@H]2CCC[C@H]2F)cc1Br 2055374281 VLMZUGQVTVYZIL-ZIAGYGMSSA-N 315.230 3.495 10 10 DGCE Oc1cc(Cl)ccc1CN[C@@H](C(F)F)C1CCOCC1 2239452716 IUIRBGCNPBZPRX-CYBMUJFWSA-N 305.752 3.196 10 10 DGCE NN1C(=O)C(=Cc2ccc(Cl)cc2Cl)SC1=S 2293438623 FCCPQZBRMFBDSK-UHFFFAOYSA-N 305.211 3.068 10 10 DGCE CSCC1(CN(C)c2ccc(CN)cc2)CC(F)(F)C1 2289816007 KRVMVDSWIYMMCW-UHFFFAOYSA-N 300.418 3.360 10 10 DGCE CC1(C)c2ccccc2N2CCC(=O)N[C@@]21C=Cc1cccnc1 2297451014 KCMDCTVPBIDKAE-FQEVSTJZSA-N 319.408 3.109 10 10 DGCE O=C1C(=Cc2ccccc2)SC(=S)N1Cc1ccccn1 2323766091 KIOGDAILKBJDMJ-UHFFFAOYSA-N 312.419 3.483 10 10 DGCE C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC(=O)C2=O 2333059786 HZDYOVALJZGFJH-HVVPCYGRSA-N 302.414 3.058 10 10 DGCE C[C@@]12CCO[C@@H]1[C@@H](NCc1cc(Cl)cc(Cl)c1O)C2 2328908629 PGAHJBSEVYHINH-YUTCNCBUSA-N 302.201 3.356 10 10 DGCE CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NCc1cccc(O)c1O 1349078504 HPIPAIHKDLOKJI-INWMFGNUSA-N 321.417 3.088 10 10 DGCE CC(C)(C)OC(=O)NC[C@H](N)c1cccc(C(C)(C)C)c1O 309846402 YIQRNBIXJFKYRU-ZDUSSCGKSA-N 308.422 3.214 10 10 DGCE CN(C(=O)/C=C/c1cnn(C)c1)c1ccc(-c2nccs2)cc1 1275306952 WPVGMQVVQTYTTQ-FPYGCLRLSA-N 324.409 3.220 10 10 DGCE COc1ccc(CN2CCC[C@H]2c2c(C)nn(C)c2C)c(O)c1 122818272 PZTRKTSJNBZQBS-INIZCTEOSA-N 315.417 3.088 10 10 DGCE Oc1ccc(OC(F)(F)F)cc1CNCc1ccns1 2361027026 GIZJSDGVVQNNCC-UHFFFAOYSA-N 304.293 3.037 10 10 DGCE Cc1nn(C)c(C)c1C[C@@H](C)N[C@H](C)c1cc(F)ccc1O 185560057 MZWGWLUOXWTRQT-GHMZBOCLSA-N 305.397 3.163 10 10 DGCE c1ccc2c(c1)C[C@H](NCc1ccc(N3CCCC3)cc1)CO2 328137762 PSODMHCUKNMAHC-SFHVURJKSA-N 308.425 3.380 10 10 DGCE COc1ccc([C@@H](C)NCc2cc(OC)ccc2O)c(F)c1 89726502 WNSSXIKQBDZDSN-LLVKDONJSA-N 305.349 3.399 10 10 DGCE C[C@H](N)c1ccc(N2CCS[C@H](C)C2)cc1Br 235512434 OORKDVHILLWSNY-ZJUUUORDSA-N 315.280 3.411 10 10 DGCE CCOc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1 96314369 SCWGKZGNHKSFMB-UHFFFAOYSA-N 320.433 3.451 10 10 DGCE CCOc1cccc(CN2CC[C@H](OCCC(C)C)C2)c1O 93476138 GMFFFMKJPVEONF-INIZCTEOSA-N 307.434 3.428 10 10 DGCE CN[C@H]1C(=O)Nc2cc(N(C)[C@H](C)C(C)(C)C)c(Cl)cc21 252611093 VEXDUGJNSQSAKB-YMTOWFKASA-N 309.841 3.423 10 10 DGCE Cc1cccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)c1O 700745723 VMXRGIPUTXLZMF-HIFRSBDPSA-N 320.433 3.188 10 10 DGCE CCO[C@@H]1C[C@H](N[C@H](CC)c2ccccc2O)[C@H]1n1cccn1 815659381 AFYDAPWLTAHDGY-CYGHRXIMSA-N 315.417 3.048 10 10 DGCE CC[C@@H]1[C@H](CO)CCN1Cc1cc(Cl)cc(Cl)c1O 824636051 LHGIMQRHMYQDEZ-TVQRCGJNSA-N 304.217 3.292 10 10 DGCE O=C(NCc1ccc(N2CCCC2)cc1)C1(C(F)(F)F)CC1 726159120 SIQDYYOBUGVCOY-UHFFFAOYSA-N 312.335 3.246 10 10 DGCE CC/C(C)=C\C(=O)NC1CCN(c2ccc(OC)cc2)CC1 823003320 FHAJBHMAYPBDGF-YPKPFQOOSA-N 302.418 3.137 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCC[C@H](N(C)C)CC2)cc1 835049255 PIUQKFIJCGGTAM-FZMUQLTDSA-N 301.478 3.182 10 10 DGCE CO[C@@]1(CN[C@@H](C)c2ccc(Cl)cc2O)CCSC1 903314383 MTEAMWQAPOSPSV-IINYFYTJSA-N 301.839 3.218 10 10 DGCE C/C(=C\c1ccccn1)C(=O)NCc1c(O)ccc2c1CCCC2 847591128 QETVQBFBEYKKGS-WYMLVPIESA-N 322.408 3.386 10 10 DGCE CC[C@@H](N[C@@H]1CCCc2c1ccc(=O)n2C)c1ccccc1O 846123675 UDCFAJPLLQQNJE-HZPDHXFCSA-N 312.413 3.209 10 10 DGCE CC1(C)[C@H]2NCCC[C@H]2[C@@H]1NCc1ccc(N2CCCC2)cc1 925543641 NIZYANAQFZRDRI-QYZOEREBSA-N 313.489 3.153 10 10 DGCE Cc1cc(N(C)C)ccc1CNC[C@@]1(CO)CCc2ccccc21 846009269 VZAZHEFYLJJOQO-OAQYLSRUSA-N 324.468 3.027 10 10 DGCE COC(=O)/C=C/c1ccc(N2C[C@H](C)C[C@H]2C)c([N+](=O)[O-])c1 740870854 KKWNRWJYUCETSR-ONYUAGEFSA-N 304.346 3.016 10 10 DGCE COC[C@@H](CCN[C@@H](C)c1ccc(N2CCCCC2)cc1)OC 850485563 LBZOLQAMWQZYDJ-QFBILLFUSA-N 320.477 3.379 10 10 DGCE COc1ccc(N2CC[C@H](N[C@H]3CC[C@@H]3C3CCC3)C2)cc1 850488132 QKIAABOQFKMGCE-IPELMVKDSA-N 300.446 3.442 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)C(C)(C)CC(C)C)C2)cc1 855233586 ISOAINOBHFBENO-HNNXBMFYSA-N 318.461 3.462 10 10 DGCE CCCc1cnc(NC(=O)N2Cc3cccc(O)c3C2)s1 930729479 ISOWEZNSDMMCBC-UHFFFAOYSA-N 303.387 3.349 10 10 DGCE C[C@H]1CNc2cc3c(cc2N1Cc1cccs1)OCCO3 57924724 YPATVSLGVOWCAH-NSHDSACASA-N 302.399 3.340 10 10 DGCE Cc1cncc(/C=C\C(=O)NCc2ccc(N(C)C)cc2C)c1 772144389 KIQJMQLRCYTIME-YVMONPNESA-N 309.413 3.094 10 10 DGCE CCOc1ccc(O)c(CNCC2([C@H](C)CCO)CCC2)c1 776257114 IDPVNOCHBFFBJO-CQSZACIVSA-N 307.434 3.069 10 10 DGCE CCOc1ccc(CNC[C@H]2CCC3(CCC3)CO2)c(O)c1 886317929 FAYJVLXGIUCFTB-MRXNPFEDSA-N 305.418 3.230 10 10 DGCE C[C@H](NCc1cn(C)nn1)c1ccc(N2CCCCCC2)cc1 783531734 FDQWZTDPSAHXOU-HNNXBMFYSA-N 313.449 3.046 10 10 DGCE CN(Cc1ccns1)Cc1ccc(Br)cc1O 895451687 DFNUBGQBRCXQSX-UHFFFAOYSA-N 313.220 3.243 10 10 DGCE CC[C@H](NCCc1c(C)nn(C)c1C)c1ccc(C)cc1O 794789961 BCMAQTRKCXMAFS-KRWDZBQOSA-N 301.434 3.334 10 10 DGCE NC1CCN(c2ccc(OCc3ccccc3)cc2F)CC1 83577046 AQQYULBQOSXVAP-UHFFFAOYSA-N 300.377 3.332 10 10 DGCE CCN(CCN(CC)c1ccc(N)cc1)C(=O)OC(C)(C)C 1959563495 AOLCHYWKNFDMMF-UHFFFAOYSA-N 307.438 3.352 10 10 DGCE CCc1ccccc1CC(=O)NCc1ccc2cccnc2c1O 1162613193 YKJKLKQVKXFESI-UHFFFAOYSA-N 320.392 3.362 10 10 DGCE CC(C)N[C@]1(CO)CCC[C@H](Sc2nccs2)[C@H]1C 2119189096 WVURIUXVRMLOMQ-DYEKYZERSA-N 300.493 3.153 10 10 DGCE O=C(Nc1nc2ccc(Cl)cc2[nH]1)c1c(F)ccc(O)c1O 1184226192 OLWYEQJUMVANRM-UHFFFAOYSA-N 321.695 3.019 10 10 DGCE FC(F)[C@@H]1CCN(Cc2ccc(N3CCCC3)cc2)CCO1 1330702024 PZTLRTGXUBXXEL-INIZCTEOSA-N 310.388 3.143 10 10 DGCE CO[C@@H]1CCN(c2ccc([C@@H](C)O)c(Br)c2)[C@@H]1C 1914235121 AJWRBXMMGXUCMP-GPCCPHFNSA-N 314.223 3.116 10 10 DGCE CCc1ccc(N(CC2CC2)C(=O)/C=C/c2cnn(C)c2)cc1 1436309949 IOTFFCHFKREMOH-DHZHZOJOSA-N 309.413 3.439 10 10 DGCE Cn1cc(/C=C/C(=O)N2CC(C)(C)c3cc(Cl)ccc32)cn1 1543950440 FAAOOHCRYWGXRN-QPJJXVBHSA-N 315.804 3.411 10 10 DGCE CCOC(=O)Nc1ccc(OC(=O)c2cc(O)cs2)cc1 1565646038 ZZFBESWCXXDQPT-UHFFFAOYSA-N 307.327 3.241 10 10 DGCE CCC(C)(C)C(=O)NCC[C@@H](C)NCc1ccc(OC)c(C)c1 1567228103 PASLLYRRUWLEJO-OAHLLOKOSA-N 320.477 3.424 10 10 DGCE O=C(CCCc1ccc(F)c(F)c1)NCc1ccc(O)cc1O 1570462344 PQSKDXYPAGLCQB-UHFFFAOYSA-N 321.323 3.015 10 10 DGCE O=C(NCc1ccc(OC(F)F)c(F)c1)c1cc(O)cs1 1641375319 KTYDZTYIJQBSJA-UHFFFAOYSA-N 317.288 3.124 10 10 DGCE CCOC[C@@H](NCc1cc(Cl)cc(C(C)=O)c1O)C(C)C 1653554306 CVJAORINKDPHQF-OAHLLOKOSA-N 313.825 3.399 10 10 DGCE Oc1ccc(F)cc1CN[C@@H]1CC[C@H]1OCc1ccccc1 1934899962 DGXRESPDJGHQTP-SJLPKXTDSA-N 301.361 3.369 10 10 DGCE CN(Cc1ccc(N2CCOCC2)cc1)Cc1cccs1 153303314 HZWZZIRMEZLXPK-UHFFFAOYSA-N 302.443 3.217 10 10 DGCE COc1ccc(O)c(CNC(=O)c2cc(C)n(C3CC3)c2C)c1 155973705 KTLUPOCAGMLIJC-UHFFFAOYSA-N 314.385 3.084 10 10 DGCE Cc1cccc(CN[C@H]2C[C@@H](CNC(=O)OC(C)(C)C)C2)c1O 1936010422 BYRPPJHXNZRFBP-OTVXOJSOSA-N 320.433 3.094 10 10 DGCE Nc1ccc(N2CCC(OCC(=O)c3cccs3)CC2)cc1 585880659 XQXLLINXHNOFHD-UHFFFAOYSA-N 316.426 3.199 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H]1[C@@H](O)c1ccc(N(C)C)cc1 1894532394 ISVHMTQRCVXPFJ-KCXAZCMYSA-N 320.433 3.041 10 10 DGCE Cc1ccc(CNC2CC(C)(NC(=O)OC(C)(C)C)C2)c(O)c1 1967863140 PGNHRENVBIOHFM-UHFFFAOYSA-N 320.433 3.236 10 10 DGCE NC[C@]12CC[C@@H]1CCCN2Cc1cc(Cl)cc(Cl)c1O 2145603015 CYSBZDAULHFOFG-XHDPSFHLSA-N 315.244 3.402 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H](Nc2ccccc2N)[C@@H]2CCC[C@@H]21 1977662772 OHZJAQMNHLKBTG-RCBQFDQVSA-N 317.433 3.469 10 10 DGCE CN(C)c1ccc([C@@H](O)CC2CN(C(=O)OC(C)(C)C)C2)cc1 1977938720 KQWWCIUUUAPKFY-INIZCTEOSA-N 320.433 3.043 10 10 DGCE C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)[C@@H](N)c1ccc(N(C)C)cc1 1977946663 WWYQJCYFFKNZIK-DVOMOZLQSA-N 321.465 3.302 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](COc2ccc(N)cc2)C12CC2 1992517956 VKCUPMJDNDUHRF-CYBMUJFWSA-N 318.417 3.437 10 10 DGCE C[C@H](O)c1ccc(N2CC=C[C@H]2CF)cc1Br 2024024710 XECVUKOCBILRBK-ONGXEEELSA-N 300.171 3.217 10 10 DGCE C[C@H](O)c1ccc(N2C[C@H]3C[C@H]2[C@H]2C[C@@H]32)c(Br)c1 2041511235 QBRVUQDYADKYDW-BPKGBABQSA-N 308.219 3.347 10 10 DGCE CCO[C@@H]1CCN(c2ccc([C@H](C)N)cc2Br)C1 701698581 AJIWMQOTLBJGBP-CMPLNLGQSA-N 313.239 3.084 10 10 DGCE CNCc1ccc(N(C)CC(C)(F)F)cc1Br 692887342 AAQPYJATJIWGRU-UHFFFAOYSA-N 307.182 3.260 10 10 DGCE CN[C@@H](C)c1ccc(N2C[C@H](F)[C@H](F)C2)c(Br)c1 714732041 CANXBVSCGNBAQF-KPXOXKRLSA-N 319.193 3.226 10 10 DGCE Oc1c(F)cc(Br)cc1CNCc1ccns1 715766559 VOFKUGIGUALVAL-UHFFFAOYSA-N 317.183 3.040 10 10 DGCE NCc1ccc(N2C[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2)c(Br)c1 388972508 WDLMGPNCORCAAN-XDQVBPFNSA-N 321.262 3.390 10 10 DGCE C[C@@H]1O[C@H](C)C[C@H]1N(C)Cc1cc(Br)ccc1O 395069005 XRVLTYRNMKUVAT-GBIKHYSHSA-N 314.223 3.152 10 10 DGCE CCNC(=O)c1cc(C(C)C)nn1[C@@H](C)c1cccc(C)c1O 2070156388 CJLLMAXWLPOZBY-ZDUSSCGKSA-N 315.417 3.380 10 10 DGCE Oc1c(Br)cccc1CNCc1ncc(C2CC2)o1 2104339599 PXRWVKIGVZWBMG-UHFFFAOYSA-N 323.190 3.310 10 10 DGCE C[C@](NCCCN=[N+]=[N-])(C(=O)O)c1cc(F)cc(Cl)c1 2237889495 GSUCDZYCVUQJGU-GFCCVEGCSA-N 300.721 3.069 10 10 DGCE CP(C)(=O)C1CN(c2ccc(C=CC(=O)O)cc2Cl)C1 2286169791 QQBDDTLYQBQOED-UHFFFAOYSA-N 313.721 3.249 10 10 DGCE COc1ccc(Br)c(NCc2ccc(N)cc2)c1N 2270579200 PLWJQOGFFSFYCE-UHFFFAOYSA-N 322.206 3.234 10 10 DGCE CCC[C@H](CCN)CCCNCc1cnc(SC)s1 2269314298 SJJHVWHOEYPJDN-LBPRGKRZSA-N 301.525 3.500 10 10 DGCE O=C1C(=Cc2cccc3ccccc23)SC(=S)N1CCO 2294874851 WQEIDDXZUBUEPN-UHFFFAOYSA-N 315.419 3.033 10 10 DGCE C[C@H](c1cc(Cl)ccc1O)N1CCO[C@H](P(C)(C)=O)C1 2289221854 KMKISXUJBCZNML-QMTHXVAHSA-N 317.753 3.388 10 10 DGCE CN1CC[C@H]2CCN(Cc3cc(Cl)cc(Cl)c3O)C[C@@H]21 378469905 DQRIYXVRASZTDU-HZMBPMFUSA-N 315.244 3.225 10 10 DGCE COc1ccc(Cl)cc1N(C)C(=O)C=Cc1cnn(C)c1C 2304171315 SNZOBKKUYNOHHW-UHFFFAOYSA-N 319.792 3.067 10 10 DGCE CC(C)=C(Br)CN1CCc2cc(O)c(O)cc2C1 2318668845 DXZHRQUTJSUAKF-UHFFFAOYSA-N 312.207 3.145 10 10 DGCE Nc1ccc(N=c2[nH]c3ccccc3nc2Br)cc1 2353174541 MSNBZUSCMXVHDY-UHFFFAOYSA-N 315.174 3.140 10 10 DGCE COc1ccc(N2CCN(CCCc3ccccc3)CC2)cc1 8675510 FKHSXRRVLWUOFF-UHFFFAOYSA-N 310.441 3.450 10 10 DGCE CCc1ncc2c(n1)CN(Cc1c(O)ccc3ccccc13)CC2 119792128 DVBMTVTXZITPFI-UHFFFAOYSA-N 319.408 3.456 10 10 DGCE CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCCO)C1=O 210385908 JCBSDSOBXTUOPL-NCPBJGSTSA-N 319.451 3.217 10 10 DGCE O=S(=O)(Nc1ccc(O)cc1Cl)c1ccc2c(c1)CCC2 70334351 NWQICLXHYORDNX-UHFFFAOYSA-N 323.801 3.335 10 10 DGCE OC[C@H]1CCCCCN1c1ccc(CNC2CC2)cc1Cl 133873154 XTVOSKBQXGKTLA-OAHLLOKOSA-N 308.853 3.333 10 10 DGCE C[C@H](c1cccs1)N(C)C(=O)CCOc1ccc(N)cc1 40330342 CCVJQIPEZVVUQY-GFCCVEGCSA-N 304.415 3.319 10 10 DGCE COc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1C 96314331 IXOWZCJKZJYXBN-UHFFFAOYSA-N 306.406 3.061 10 10 DGCE Cn1nccc1C1CCN(Cc2cc(Cl)ccc2O)CC1 92810386 ZUUGTDWETBOMNE-UHFFFAOYSA-N 305.809 3.159 10 10 DGCE Cc1cc(C)n2nc(N)c(N=Nc3cccc([N+](=O)[O-])c3)c2n1 254293858 PFRCRJPFGFOPEN-UHFFFAOYSA-N 311.305 3.252 10 10 DGCE Cc1cc(CN2CC[C@H](C(C)(C)C)[C@@H](O)C2)ccc1N(C)C 815083903 IIGPWNXWMAFHNR-WMZOPIPTSA-N 304.478 3.290 10 10 DGCE CC[C@H](NC[C@@H]1CCN1C(=O)OC(C)(C)C)c1ccccc1O 724913502 LLXRXKHJTQIFHG-ZFWWWQNUSA-N 320.433 3.442 10 10 DGCE Cc1cc(CN(C)CC2(CO)CC2)ccc1N1CCCCC1 829107320 PJGIAFBGAVPGSO-UHFFFAOYSA-N 302.462 3.190 10 10 DGCE O=C1N[C@H](c2c(O)cc(Cl)cc2Cl)[C@H](C(F)(F)F)O1 575259046 DJTXJIPUXDSPAC-HTQZYQBOSA-N 316.062 3.411 10 10 DGCE C[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)C[C@@](C)(C(F)F)O1 827955364 FXQACTMZSDIDTK-CLAHSXSESA-N 323.742 3.429 10 10 DGCE COc1ccc(N(C)Cc2nnc(C(C)C)s2)cc1OC 827492044 SXUDEBNHFLVPQJ-UHFFFAOYSA-N 307.419 3.315 10 10 DGCE COC(C)(C)CNC(=O)Cc1cc(C)n(-c2ccccc2)c1C 828889942 XRYUQDXQADKOGT-UHFFFAOYSA-N 314.429 3.178 10 10 DGCE COc1ccc(N2CC[C@@H](NCc3cc(C)oc3C)C2)cc1 850347501 SNVZXQLJANRWIM-MRXNPFEDSA-N 300.402 3.274 10 10 DGCE C[C@@H](NC[C@H]1CNCCC1(F)F)c1ccc2ccccc2c1O 925787022 YRKGHOPMSWGIAE-TZMCWYRMSA-N 320.383 3.441 10 10 DGCE Cc1cc(O)c(CN[C@@H]2CCC[C@H]([S@@](C)=O)C2)c(Cl)c1 850354827 BBZRFHFCORIAGZ-XAAFQQQXSA-N 315.866 3.133 10 10 DGCE O=C(c1cc(O)cs1)N1CC2(CCC2)[C@@H]1c1ccncc1 856495539 STJIVKRUXXMFKE-AWEZNQCLSA-N 300.383 3.216 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@@H]2CCC[C@H]([S@](C)=O)C2)cc1 850354954 DVZCHFPCOJCGSH-DROPOWOOSA-N 320.502 3.045 10 10 DGCE CCC(C)(CC)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 854298700 ABKMEZHTJFUNLQ-CQSZACIVSA-N 319.449 3.152 10 10 DGCE COc1ccc(N2CC[C@H](CN[C@H](C)[C@@H]3CCCCO3)C2)cc1 858428491 URKCKEAJQOPPEP-MDZRGWNJSA-N 318.461 3.069 10 10 DGCE CN[C@@H](C)c1ccc(N(C)Cc2nnc(C)s2)cc1Cl 697818837 LFDLINVOKLQCBR-VIFPVBQESA-N 310.854 3.417 10 10 DGCE CCOCc1cc(CNCC[C@@H]2CCSC2)ccc1OC 865654724 TVOBFBHCJAPTRB-CQSZACIVSA-N 309.475 3.465 10 10 DGCE CN1CCCc2cc(CNC(=O)OCCC(F)(F)F)ccc21 866673797 IUEXHCMALCNLEK-UHFFFAOYSA-N 316.323 3.248 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)Cc1cc(F)ccc1O 1149880898 YBFGVZPNQAQWBX-UHFFFAOYSA-N 317.360 3.218 10 10 DGCE Cc1cc(O)n2nc(N)c(N=Nc3cccc(Cl)c3)c2n1 1088686509 YMUJBGWPIXYTDA-UHFFFAOYSA-N 302.725 3.394 10 10 DGCE CN(C)c1ccc(CN2CCCC[C@H]([C@H]3CCOC3)C2)cc1 1308145961 RXTKQKOSMZJYAF-ROUUACIJSA-N 302.462 3.391 10 10 DGCE Nc1cccc(Br)c1N[C@@H]1CCCN(C2CCC2)C1 2116448585 KHMNKFONQPHOSL-LLVKDONJSA-N 324.266 3.460 10 10 DGCE CC(C)CO[C@H](C)C(=O)NCc1c(O)ccc2ccccc12 1179029873 USSRHWTXQVYVJD-CYBMUJFWSA-N 301.386 3.223 10 10 DGCE Cc1ccc2c(n1)N(C(=O)/C=C\c1ccc(Cl)nc1)CCC2 1439033354 JNBFMMOLEPBKBY-TWGQIWQCSA-N 313.788 3.431 10 10 DGCE O=C(O)C=Cc1ccc(N2CC[C@H]3C[C@H]3C2)c(Br)c1 1912037475 IDCKPLFFUUCXAD-RYUDHWBXSA-N 322.202 3.393 10 10 DGCE C[C@@H](N)c1ccc(N(Cc2ccccc2)C2COC2)c(F)c1 1915679419 VLVAFYGOMPUVLZ-CYBMUJFWSA-N 300.377 3.251 10 10 DGCE CCN(C(=O)Cc1ccc(O)c(O)c1)[C@H](C)c1ccc(F)cc1 1464312953 AKBOGSRZJCBWBO-GFCCVEGCSA-N 317.360 3.389 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2COC[C@@H]2C2CC2)cc1 1537611181 QEXRNKAOGSBERQ-MOPGFXCFSA-N 324.424 3.249 10 10 DGCE COc1ccc2c(c1)C[C@@H](C(C)C)CN2Cc1nonc1C 1460286066 PHNRRVDXSCJVDZ-CQSZACIVSA-N 301.390 3.222 10 10 DGCE CS[C@@H](C)CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1 1633499720 OMGKQTWGAZIMAP-AWEZNQCLSA-N 321.490 3.180 10 10 DGCE COc1ccc(CNC[C@H](C)NC(=O)C2CC(C)(C)C2)cc1C 1569054392 MDGRGQQFGRMFRJ-AWEZNQCLSA-N 318.461 3.034 10 10 DGCE C[C@@H](NCCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1O 1644183470 NBCQUJYIKZPPOM-CYBMUJFWSA-N 316.357 3.420 10 10 DGCE Cc1ccc(F)c(N)c1C(=O)NCc1cccc(Cl)c1O 1647830202 NIUBLUIGWGHKJS-UHFFFAOYSA-N 308.740 3.005 10 10 DGCE CCC[C@@H](O)CCNC(=O)c1ccc(-n2c(C)ccc2C)cc1 1645910766 TUWBFEGPUPXDOY-GOSISDBHSA-N 314.429 3.375 10 10 DGCE COc1cc(CC(=O)NCc2cccc(Cl)c2O)ccc1C 1653563952 UTYRMRCVRZSVRT-UHFFFAOYSA-N 319.788 3.222 10 10 DGCE O=C(/C=C/c1cc2ccccc2o1)NCc1ccc(O)c(O)c1 158895032 QKOPXTHHKXGUSJ-SOFGYWHQSA-N 309.321 3.174 10 10 DGCE CSC(C)(C)CN[C@H](C)c1ccc(N2CCOCC2)cc1 154207344 YQWKTFMGUMKDAY-CQSZACIVSA-N 308.491 3.315 10 10 DGCE CCOc1cccc(CN[C@](C)(COC)c2ccccc2)c1O 154643049 WDPIUKUCFNJCFJ-LJQANCHMSA-N 315.413 3.442 10 10 DGCE CC[C@@H](C)n1ccc(=O)c(OCCOc2ccc(N)cc2)c1C 1857910912 HRDLKKQYKVXABG-CYBMUJFWSA-N 316.401 3.168 10 10 DGCE CC(C)(C)OC(=O)NC1C[C@@H]2CCC[C@H](C1)N2CCN=[N+]=[N-] 1962298052 BRLMLNCMWUBOCU-YHWZYXNKSA-N 309.414 3.207 10 10 DGCE CCN(CCCN=[N+]=[N-])C[C@@H]1CCCN1C(=O)OC(C)(C)C 1962302575 AJCHOCWLPONLMV-ZDUSSCGKSA-N 311.430 3.408 10 10 DGCE C[C@H](N)c1cnc(Sc2ccc(Br)cn2)s1 1976520866 HYXBMUWIGSFGPV-LURJTMIESA-N 316.249 3.472 10 10 DGCE CC(C)(C)OC(=O)N1CC(N(CCCN=[N+]=[N-])CC2CCC2)C1 1982245050 AYHCTAROSSSTFI-UHFFFAOYSA-N 323.441 3.408 10 10 DGCE COc1ccc(O)c([C@H](C)NCC/C=C/Br)c1 2004060242 VMHJLEKTNWYEGH-HTZNOQTFSA-N 300.196 3.350 10 10 DGCE CN(C)c1ccc([C@H](O)c2ccn(Cc3ccccc3)n2)cc1 1992774082 RTXOGWPQOJVZOG-IBGZPJMESA-N 307.397 3.079 10 10 DGCE CN(CC1(F)CCC1)c1ccc(CO)cc1Br 2008519204 VJMDYPQNHBPVBZ-UHFFFAOYSA-N 302.187 3.270 10 10 DGCE CCNCc1ccc(N2CC[C@H]2CF)c(Br)c1 2011857220 RQZBHRNLQBKFJQ-NSHDSACASA-N 301.203 3.107 10 10 DGCE CN(C)c1ccc(CNC(=O)C=Cc2ccc3c(c2)CCO3)cc1 2040491541 ZVLXIMGVUUQYIA-UHFFFAOYSA-N 322.408 3.017 10 10 DGCE C[C@@H](NCc1cncc(Br)c1)c1cc(O)ccc1O 703001564 DOTKLPBCGCNFOL-SECBINFHSA-N 323.190 3.106 10 10 DGCE C[C@@H]1COC[C@@H]1N(C)[C@H](C)c1cc(Br)ccc1O 688180498 VESBBBJLZROKRT-BREBYQMCSA-N 314.223 3.182 10 10 DGCE CSC[C@@H]1CCN(c2ccc(CO)cc2C(F)(F)F)C1 706757264 XFQCMASUJHXZDI-LLVKDONJSA-N 305.365 3.387 10 10 DGCE COCCNCc1ccc(N2CC[C@H](SC)C2)c(Cl)c1 394982839 ZPYUIGALGQUSCE-ZDUSSCGKSA-N 314.882 3.018 10 10 DGCE Brc1cc(N2C[C@H]3C=C[C@H]2C3)ccc1CNC1CC1 2089863769 MXHNUPSLKRPDPI-FZMZJTMJSA-N 319.246 3.466 10 10 DGCE NCc1ccc(N2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2)cc1Br 2228683904 AWFNDSFBRUWRDG-AGCIHXOGSA-N 319.246 3.166 10 10 DGCE COc1cc(Cl)cc(CNCC[C@@H](C)OC(F)F)c1O 2290136219 KUNLAOURTKXBLQ-MRVPVSSYSA-N 309.740 3.162 10 10 DGCE Cc1cc(NC(=O)C=Cc2ccc(O)c(O)c2)cnc1Cl 2308001799 QQPONGDWDQUZJO-UHFFFAOYSA-N 304.733 3.107 10 10 DGCE COC(=O)Cc1nc2ccccn2c1N=Nc1cc(C)ccc1O 2320767969 SFDNICPMOVDWLQ-UHFFFAOYSA-N 324.340 3.479 10 10 DGCE CCN(CCN=[N+]=[N-])C(=O)c1c(F)cccc1Br 2315987422 SJZKWKMNTGAPCE-UHFFFAOYSA-N 315.146 3.361 10 10 DGCE COc1ccc(N(CC(=O)NCC(C)C)[C@@H](C)C2CC2)cc1 109773864 WDTPGTLZACJXLZ-AWEZNQCLSA-N 304.434 3.072 10 10 DGCE O=C(CC[C@@H]1CCCOC1)NCc1ccc(N2CCCC2)cc1 175279882 KDSUQOADGOGEMU-KRWDZBQOSA-N 316.445 3.110 10 10 DGCE CCN[C@H](C)c1ccc(N2CCn3ccnc3C2)cc1Cl 78927816 JZEKQUGBYVSNDY-GFCCVEGCSA-N 304.825 3.227 10 10 DGCE COc1ccc(O)c([C@@H](C)N[C@H](C)c2nc(C(C)(C)C)no2)c1 182366224 UESOAWWLFCCRLK-GHMZBOCLSA-N 319.405 3.493 10 10 DGCE CCOCCN(CCOCC)[C@H](C)c1cc(Cl)ccc1O 211266325 UQJUPMQGGGUDLS-CYBMUJFWSA-N 315.841 3.482 10 10 DGCE CCN[C@@H](C)c1ccc(N(C)Cc2nccn2C)cc1Cl 78927842 KNEBHGNOICPDFH-LBPRGKRZSA-N 306.841 3.380 10 10 DGCE C[C@@H]1CN(c2ccc(N)cc2)C[C@@H](C)N1C(=O)OC(C)(C)C 143678886 GSALRQQUCCLTEJ-CHWSQXEVSA-N 305.422 3.103 10 10 DGCE c1coc([C@@H]2CCCN2Cc2ccc(N3CCOCC3)cc2)c1 93335162 PHBZYJHMMHWQFF-SFHVURJKSA-N 312.413 3.453 10 10 DGCE NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1O)N2 253572794 QPKZKAAFIFBJDI-FHSNZYRGSA-N 306.365 3.318 10 10 DGCE Cc1ncc(/C=C\C(=O)N(C)Cc2ccc(N(C)C)cc2)s1 255140405 WRBIDIUTQMVBLJ-KTKRTIGZSA-N 315.442 3.189 10 10 DGCE C[C@]1(F)CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 296518191 ZVMXYJNFIDBIPQ-SFHVURJKSA-N 319.424 3.320 10 10 DGCE Cc1cc(Cl)cc(CN2CCC[C@H]3CN(C)CC[C@H]32)c1O 809767954 YXBTYOWFAHCKMS-XJKSGUPXSA-N 308.853 3.270 10 10 DGCE COc1ccc(Cl)c(O)c1[C@@H](CC(C)C)N1CCOCC1 575302330 LAHRXRORDBZRHF-CYBMUJFWSA-N 313.825 3.474 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](OC)C1CCCC1 824234311 HWTUODSSJXMRLC-GOSISDBHSA-N 318.461 3.306 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@H](OC)C2CCC2)cc1F 826943733 ZNYDKBRIJDGKTJ-QGZVFWFLSA-N 322.424 3.103 10 10 DGCE C[C@H]1CN(C/C=C/c2ccc(N(C)C)cc2)CCN(C2CC2)C1 835055547 WATDATCUXOHLKZ-BDUNBXCCSA-N 313.489 3.182 10 10 DGCE CN(C)c1ccc(CNC(=O)NCCCC(C)(F)F)cc1F 836504713 XTQBGCZSIDKLEQ-UHFFFAOYSA-N 317.355 3.126 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@@H](C2CCOCC2)C2CC2)c1 846043287 WRTWBSPVSGCKPS-KPZWWZAWSA-N 305.418 3.257 10 10 DGCE COc1cccc([C@H](C)NC2CC(N3CCCCC3)C2)c1O 846168248 RNMBHDYGFCQUBJ-NFOMZHRRSA-N 304.434 3.068 10 10 DGCE CN(C)c1cc(F)c(CNC2([C@H]3CCCCO3)CC2)cc1F 923028227 NUJFRPNECHEGCS-MRXNPFEDSA-N 310.388 3.222 10 10 DGCE O=S(=O)(Nc1cccc(Cl)c1)c1cc(F)cc(F)c1O 753018865 OQSUVGQWZVDJJU-UHFFFAOYSA-N 319.716 3.125 10 10 DGCE CCc1onc(C)c1CNCc1cc(F)c(N(C)C)cc1F 922982841 VZAXXTYTJHVGLH-UHFFFAOYSA-N 309.360 3.179 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)NCCCC(C)C)C2)cc1 851947332 ZDEULQMEXKVYBX-HNNXBMFYSA-N 319.449 3.009 10 10 DGCE C[C@H]1C[C@@H](NC[C@]23CCC[C@H]2NCC3)c2c(O)ccc(F)c21 925845997 MXUXDABOVUUCQB-HMECXNKFSA-N 304.409 3.201 10 10 DGCE C[C@H](Nc1cccc([C@@H]2CNC(=O)C2)c1)c1ccc(F)cc1O 757619069 KJXQLDIWIPQJRV-AAEUAGOBSA-N 314.360 3.308 10 10 DGCE COc1cccc(CN[C@@H](C)COc2c(F)cccc2F)c1O 850366990 UCYQDLVYBLGKOI-NSHDSACASA-N 323.339 3.236 10 10 DGCE CC[C@H](C)n1ncc(C(=O)NCc2cc(C)ccc2O)c1C 862757030 DYNCRZYXXDQHSH-LBPRGKRZSA-N 301.390 3.107 10 10 DGCE Cc1cc(O)c(CNC[C@@H](C)CC2(C)OCCO2)c(Cl)c1 865672437 KFWKMCQSDFEVLY-LBPRGKRZSA-N 313.825 3.233 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)NC2CCC3(CC2)CC3)c1 765587983 XNADVBGSGDGAGJ-GFCCVEGCSA-N 318.417 3.484 10 10 DGCE O=C(c1cccc(CN2CCCC2)c1)N1Cc2cccc(O)c2C1 871200520 DWGCMNMBDFPRFA-UHFFFAOYSA-N 322.408 3.144 10 10 DGCE CCCCCCOc1ccc(N2CC[C@@H](CNCCO)C2)cc1 76360085 GVMDGZUVIHFAOU-KRWDZBQOSA-N 320.477 3.054 10 10 DGCE Cc1ccc(C(=O)NCCSCc2ccccc2)c(O)c1O 780855869 KUZUGYAHJRBFIN-UHFFFAOYSA-N 317.410 3.069 10 10 DGCE COc1ccc([C@H](C)NCCOCc2ccccc2)c(O)c1 390088825 HQFXVDNPWOZKFO-AWEZNQCLSA-N 301.386 3.268 10 10 DGCE O=C(O)[C@H](Nc1ccccc1Br)c1ccccc1O 166122555 LBZVXLYXCPYTNO-CYBMUJFWSA-N 322.158 3.393 10 10 DGCE Cc1ccccc1[C@H](NC(=O)Cc1ccc(O)c(O)c1)C1CC1 1136763179 LPACYYMKODICRR-LJQANCHMSA-N 311.381 3.216 10 10 DGCE C[C@H](N)c1ccc(N2CC3(CN(Cc4ccccc4)C3)C2)cc1 706639153 QWGXUWZONXOZCP-INIZCTEOSA-N 307.441 3.029 10 10 DGCE CCC(F)(F)C(=O)Nc1c(-c2ccccn2)nc2ccccn12 1141722468 CCPLMTFVGHAUSQ-UHFFFAOYSA-N 316.311 3.380 10 10 DGCE Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1cccc(Cl)c1O 1159033450 IVLCZCOFWKFJEN-UHFFFAOYSA-N 320.732 3.192 10 10 DGCE c1ccc2c(c1)CN(CCNCc1ccc3c(c1)CCCO3)C2 1308227672 QLDOIVBYADLBLO-UHFFFAOYSA-N 308.425 3.117 10 10 DGCE CCOc1cc(N(Cc2ccc(N(C)C)cc2)C2CC2)ncn1 1306937224 KIWFJWQMYHAVGF-UHFFFAOYSA-N 312.417 3.110 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)cc1 1163163263 RZKOATBGYFPVQG-GDBMZVCRSA-N 322.368 3.383 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1C[C@@H]1C(F)F 1264287381 UZGMTTWJZBCUMB-GJZGRUSLSA-N 308.372 3.146 10 10 DGCE C[C@@H](O)CN(Cc1ccccc1)c1ccc([C@@H](C)N)cc1F 1914606948 DZBDVSZSPYEHBJ-ZIAGYGMSSA-N 302.393 3.233 10 10 DGCE CCCCOc1ccc(C(=O)NCc2cccc(O)c2O)cc1 1350299894 JZQLVVFJPLYISF-UHFFFAOYSA-N 315.369 3.207 10 10 DGCE Cc1ncccc1/C=C\C(=O)N1CCOc2cc(F)c(F)cc21 1461291403 LUOWIRJVFCXUFH-PLNGDYQASA-N 316.307 3.107 10 10 DGCE COc1ccc(N(C)C(=O)c2ccccc2-c2cn[nH]c2)cc1 1469822567 RODADURYYJJPRU-UHFFFAOYSA-N 307.353 3.362 10 10 DGCE Cc1cc(C(=O)NCc2c(O)ccc3c2CCCC3)cc(C)n1 1545639659 YFBNUNBQNLYIEY-UHFFFAOYSA-N 310.397 3.213 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)c1cccc(F)c1O 1545639540 SLQNDSGWIOAMIG-UHFFFAOYSA-N 315.344 3.046 10 10 DGCE COc1ccc(CNCC[C@H](C)NC(=O)CC2(C)CC2)cc1C 1482856973 VBQIBRRACYODLQ-HNNXBMFYSA-N 318.461 3.178 10 10 DGCE CCCCCC(=O)N[C@H]1C[C@H](NCc2ccc(OC)c(C)c2)C1 1731438784 GHQAXOZDHKLHIU-QAQDUYKDSA-N 318.461 3.321 10 10 DGCE CCOc1ccc(NC(=O)c2ccc(C)c(O)c2O)c(F)c1 1570446888 RDUCMRMUHIMGCM-UHFFFAOYSA-N 305.305 3.196 10 10 DGCE CCN(C)c1ccc(CNCC2(C3(O)CCC3)CCC2)cc1 1660107328 TXJOKENITIMSAZ-UHFFFAOYSA-N 302.462 3.318 10 10 DGCE CC(C)NCc1ccc(N(C)C[C@@H](C)O)c(C(F)(F)F)c1 163708807 RYOXTBPSKCFLFD-LLVKDONJSA-N 304.356 3.020 10 10 DGCE Oc1c(Cl)cccc1CNc1cnn(C[C@@H]2CCCO2)c1 159733603 KYKJUXYHWACYOT-ZDUSSCGKSA-N 307.781 3.033 10 10 DGCE CCO/C(O)=C1/SC(c2ccc(C(F)(F)F)cc2)=NC1=O 100328416 WFNMKNNQTPLASX-FMIVXFBMSA-N 317.288 3.489 10 10 DGCE Nc1ccc(OCCCN2C[C@H](c3cccs3)OC2=O)cc1 585890775 QCKAUALHLPZDOL-CQSZACIVSA-N 318.398 3.293 10 10 DGCE CCN[C@](CC)(CCCSc1nccs1)C(=O)OCC 2144122773 XLPHTGBQLCRPAB-CQSZACIVSA-N 316.492 3.337 10 10 DGCE CC(C)n1ncnc1CNCc1cc(Cl)cc(Cl)c1O 877530612 WEXRTVIJFWIHEO-UHFFFAOYSA-N 315.204 3.161 10 10 DGCE C[C@@H](N[C@H]1CCCC2(CC1)OCCO2)c1ccc(F)cc1O 1967520726 GSKDWUTWLHGLIJ-OCCSQVGLSA-N 309.381 3.258 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](N)c2ccccc2O)C1(C)C 1976579155 NODHXOUVJNZNRY-ZFWWWQNUSA-N 320.433 3.428 10 10 DGCE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1Cc1ccc(N)cc1 1977926707 OIMMVARTYAFILK-KBPBESRZSA-N 319.449 3.099 10 10 DGCE CN[C@H]1CCc2cc(N3CC(N(C)Cc4ccccc4)C3)ccc21 2012704240 XVFSWBBWGGSVOE-NRFANRHFSA-N 321.468 3.214 10 10 DGCE Cc1cc(C)nc(Sc2ncc(CNCC(C)C)s2)n1 2155326806 OOGZJNDOODTFLZ-UHFFFAOYSA-N 308.476 3.447 10 10 DGCE Oc1ccccc1CNCc1cccc(O)c1Br 315655294 XFMXFCNPNRPGRD-UHFFFAOYSA-N 308.175 3.150 10 10 DGCE Cc1cc(CN)ccc1N(C)C[C@@H]1CCN(Cc2ccccc2)C1 382768285 JFKRSZSYOFHUJY-FQEVSTJZSA-N 323.484 3.412 10 10 DGCE CC(C)c1nn(Cc2cc(F)ccc2O)c(C(F)F)c1CN 2079016783 SCABNSODHPTIDN-UHFFFAOYSA-N 313.323 3.296 10 10 DGCE Nc1cccc(Br)c1N[C@@H]1CCC[C@H]2CC[C@H]1N2 2071577808 MFQZYKSEGPRUET-ZWKOPEQDSA-N 310.239 3.116 10 10 DGCE C[C@H](O)c1ccc(N2CC(OC(F)(F)CF)C2)cc1Cl 2237642107 OSVPYYBMRIVWGM-QMMMGPOBSA-N 309.715 3.161 10 10 DGCE Cc1ccc2nc(C=C3SC(=S)N(C)C3=O)ccc2c1 2313830380 FFKPPTOWJGAXIM-UHFFFAOYSA-N 300.408 3.374 10 10 DGCE C[C@@H](NC(=O)COc1ccc(N)cc1)c1ccccc1Cl 38055694 ZIVOLHMZDRCMGI-LLVKDONJSA-N 304.777 3.178 10 10 DGCE CCn1nnnc1-c1cccc(N[C@@H](C)c2ccccc2O)c1 183700488 FYDGHENRLQLORQ-LBPRGKRZSA-N 309.373 3.239 10 10 DGCE Cn1cc(/C=C/C(=O)N2CCc3cnccc32)c2ccccc21 80363860 CINVIZCHDBSPQX-VOTSOKGWSA-N 303.365 3.176 10 10 DGCE COc1cc(Cl)cc(CN2CCO[C@H]3CCCC[C@H]32)c1O 228630470 OHEMTXLBEIOJFJ-KGLIPLIRSA-N 311.809 3.198 10 10 DGCE CCN(C)c1ccc([C@@H](C)N[C@H](C)C(=O)N2CCCCC2)cc1 247107162 QHZSUEWPXLIACG-HZPDHXFCSA-N 317.477 3.194 10 10 DGCE CC/C=C/COC(=O)/C=C\c1ccc(N2CCOCC2)cc1 255438660 DJFOWUOZZDSWGL-INWLDIPCSA-N 301.386 3.046 10 10 DGCE CCN(CC1CC1)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] 261444884 HCBZZULUUYVSLS-VQHVLOKHSA-N 304.346 3.017 10 10 DGCE O=C(NCc1ccc(N2CCCC2)cc1)c1cncc(Cl)c1 824982246 DADSAKVRSCHEJO-UHFFFAOYSA-N 315.804 3.265 10 10 DGCE CC[C@H](NC[C@@]1(OC)CCSC1)c1ccc(N(C)C)cc1 903308894 AITMYXPXDVAONZ-IRXDYDNUSA-N 308.491 3.315 10 10 DGCE C[C@@H]1CC[C@H](C(=O)O)C[C@H]1NC/C=C\c1ccc(N(C)C)cc1 904030361 CLXZRXQNLGLLRT-CMKLSKRNSA-N 316.445 3.245 10 10 DGCE Cc1cc(Br)cc(CN[C@@H](C)c2nccn2C)c1O 827722824 WRNDFHFDEJKCMG-JTQLQIEISA-N 324.222 3.047 10 10 DGCE Cc1ccccc1[C@H](NC/C=C\c1ccc(N(C)C)cc1)C(=O)O 904033104 QQEKSIHCTBFLPK-QJSCKGPTSA-N 324.424 3.490 10 10 DGCE CC(C)[C@H](C(=O)O)[C@H](C)NC/C=C/c1ccc(N(C)C)cc1 904021175 POAHNZKCEFURKD-MFTLYIETSA-N 304.434 3.101 10 10 DGCE C[C@@H](CNC/C=C/c1ccc(N(C)C)cc1)CN1CCCC1 835034831 FKLFJUZNUATPEZ-LXXRFIIISA-N 301.478 3.087 10 10 DGCE c1cc(N2CCCCC2)ccc1CN1CC2(CCOCC2)C1 839140199 BZBXOJCWTGFQSB-UHFFFAOYSA-N 300.446 3.289 10 10 DGCE C[C@H](N[C@@H](c1ccccc1F)[C@H](C)O)c1ccc(F)cc1O 846182956 MLNQALDGMLFLKU-PSVSLLHZSA-N 307.340 3.443 10 10 DGCE Cc1cc(C)c([C@@H](C)NC[C@@H](C)N2C[C@H](C)O[C@H](C)C2)c(O)c1 848556947 DNLMPUVQQSEJLU-WCXIOVBPSA-N 320.477 3.157 10 10 DGCE CC(C)(C)c1nnc(NC(=O)NCc2c(O)cccc2F)s1 929888438 ZXDJPHCQFQZDTB-UHFFFAOYSA-N 324.381 3.002 10 10 DGCE O[C@@H]1CC[C@H]2CN(c3ccc(OCc4ccccc4)cc3)C[C@@H]12 1899866875 RYOSBEJJXGUDDL-PWIZWCRZSA-N 309.409 3.473 10 10 DGCE COCc1ccc(NCc2c(O)cccc2OC)cc1OC 858310280 UIFRPBSNRIWNHG-UHFFFAOYSA-N 303.358 3.168 10 10 DGCE O=C(c1ccc(C2CCOCC2)cc1)N1Cc2cccc(O)c2C1 871206732 CRAWARHUDCHPBN-UHFFFAOYSA-N 323.392 3.442 10 10 DGCE CC1=C[C@@H](C)CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 797463241 IMBNJBXSDOWUCS-OAHLLOKOSA-N 311.429 3.170 10 10 DGCE CC(C)[C@@H]1CC[C@@H]1NCc1ccc(N2CCC(CO)CC2)cc1 796702977 OIKDZPVHOHWBCL-PMACEKPBSA-N 316.489 3.420 10 10 DGCE COC(=O)[C@H](NCCCN=[N+]=[N-])c1cc2cscc2s1 693916246 DKQZXXLZUUXJMJ-LLVKDONJSA-N 310.404 3.467 10 10 DGCE CCN(C[C@@H](N)c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C 1959562583 OPGOSKSWZUHNRH-OAHLLOKOSA-N 307.438 3.009 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1Nc1c(N)cccc1Cl 1886530027 LOTFLXQXAOIJJI-NWDGAFQWSA-N 311.813 3.390 10 10 DGCE C[C@H](NC(=O)c1ccc(Br)cn1)c1ccccc1O 1642827212 CEFKPVNJFBXDKT-VIFPVBQESA-N 321.174 3.041 10 10 DGCE [N-]=[N+]=NC[C@H]1CCN(C(=O)c2cscc2Br)C1 1912172372 DORJGAXAHHQTQQ-SSDOTTSWSA-N 315.196 3.283 10 10 DGCE Cc1ccc(C(=O)N2CC[C@H](N=[N+]=[N-])C2)cc1Br 1912182688 FNRWQWGWYXBXCN-JTQLQIEISA-N 309.167 3.282 10 10 DGCE COc1c[nH]nc1NC(=O)c1cc(C)ccc1-n1c(C)ccc1C 1452683878 BAQKVKSTNLJRJQ-UHFFFAOYSA-N 324.384 3.387 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)[C@H]2CC[C@H](C)CC2)cc1 1527596447 ZTATYEIBLZOAGC-WKILWMFISA-N 318.461 3.416 10 10 DGCE COCCN(CCOC)/N=N/c1ccc(Br)cc1 1860485054 PSZZQVIVKBLYFF-CCEZHUSRSA-N 316.199 3.043 10 10 DGCE O=C(NCc1cc(O)ccc1O)c1cncc(-c2ccccc2)c1 1558175157 GEZOSGCZWDUAMH-UHFFFAOYSA-N 320.348 3.090 10 10 DGCE CCCCOc1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 1626452210 YBXQQPXOGCLSNU-UHFFFAOYSA-N 315.369 3.458 10 10 DGCE Oc1c(Cl)cccc1CNCc1ncoc1C(F)(F)F 1924960623 ZBNQXCLXZVHOJF-UHFFFAOYSA-N 306.671 3.342 10 10 DGCE CC(C)N(Cc1cccs1)C(=O)Cc1ccc(O)c(O)c1 1631209287 VGCVYTDBSCGLSY-UHFFFAOYSA-N 305.399 3.139 10 10 DGCE COc1cc2c(c(OC)c1)N(Cc1ccc(OC)nc1)CCC2 1646199018 ZSXKSWQCNLXTDB-UHFFFAOYSA-N 314.385 3.060 10 10 DGCE COC(=O)[C@H](N[C@H](C)c1ccccc1O)c1ccc(F)cc1 1659815599 NXZAQJVCMSIDEY-BDJLRTHQSA-N 303.333 3.096 10 10 DGCE COc1ccc(N2N=C(C)/C(=C(/C)NC(C)(C)C)C2=O)cc1 17030706 VAPLADCTUHCAOY-RVDMUPIBSA-N 301.390 3.080 10 10 DGCE C[C@@H]1CCCN(/N=N/c2ccc(N3CCN(C)CC3)cc2)C1 1860485930 GLIICKOKEQGDTP-AMGRQBIBSA-N 301.438 3.169 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@](C)([C@@H](N)c2ccccc2O)C1 1936970146 JCAUGFKDLIUWDG-YJBOKZPZSA-N 320.433 3.429 10 10 DGCE CN1CCC(CN(Cc2ccc(N(C)C)cc2)C2CC2)CC1 891595919 GITLJNDJJVQIQE-UHFFFAOYSA-N 301.478 3.059 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CCS[C@H]3CC[C@@H]32)c1O 1966469157 BPBWXXXRJTWHBN-KBPBESRZSA-N 311.834 3.328 10 10 DGCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@H]1CCC[C@@H]1O 1977929743 NEZPMQQQCYQJRF-HOTGVXAUSA-N 320.433 3.061 10 10 DGCE Nc1ccc(N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1 1978011493 MFQHJRXDUFXOHN-FQEVSTJZSA-N 307.441 3.371 10 10 DGCE CC[C@@H](COC)N(C)Cc1cccc(Br)c1O 2001428315 MUMYLSWTZBAABN-NSHDSACASA-N 302.212 3.012 10 10 DGCE CN(Cc1cnn(C(F)F)c1)c1ccc(CO)cc1Cl 2177341299 FZKNCNLXFZLCMA-UHFFFAOYSA-N 301.724 3.060 10 10 DGCE CC(C)N1[C@H]2CC[C@H]1CC(NCc1ccc3c(c1)CCO3)C2 2062989312 FVJGSAHCPRJOKY-ROUUACIJSA-N 300.446 3.115 10 10 DGCE Oc1cc(Cl)ccc1CNCc1cnn(C(F)(F)F)c1 2175133746 JPFSDGHIGLLRHH-UHFFFAOYSA-N 305.687 3.008 10 10 DGCE Nc1c(C2CC2)nn(Cc2cccc(F)c2O)c1C(F)(F)F 2079124139 FBJSKZQNBVYIPJ-UHFFFAOYSA-N 315.270 3.255 10 10 DGCE C[C@@H](NCc1csc(C(F)F)n1)c1ccc(O)cc1O 2188739884 ZIZSNAGBPBDAQS-SSDOTTSWSA-N 300.330 3.343 10 10 DGCE Cc1ccn([C@@H](C)CC(=O)NCc2c(O)ccc3ccccc23)n1 1597742540 NFIUXBLTBPIVFW-AWEZNQCLSA-N 323.396 3.318 10 10 DGCE CNCc1ccc(N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)cc1 1909109935 QRRHWVMVXVTHNO-PZJWPPBQSA-N 321.468 3.117 10 10 DGCE CN(CCc1ccc(N)cc1)[C@@H]1CS[C@@H](C(F)(F)F)C1 2189458645 QPIWNRBGEUSLAB-QWHCGFSZSA-N 304.381 3.180 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@@H]1CO[C@H]2C[C@@H]1C2 2226354923 HVZIJSAKKXAYDV-UISBYWKRSA-N 302.201 3.214 10 10 DGCE OCc1ccc(N2CCC3(CC=CC3)C2)c(Br)c1 2258900437 ABBSKDCEQKEEKP-UHFFFAOYSA-N 308.219 3.488 10 10 DGCE O=C(O)C=Cc1c(F)c(F)c(N2CCCCC2)c(F)c1F 2297344643 DNAZUSLDQICJBN-UHFFFAOYSA-N 303.255 3.331 10 10 DGCE COc1ccc([C@@](C)(Nc2cccc(Cl)c2)C(N)=O)cc1 37950279 UTAAKQXOPNFQJD-MRXNPFEDSA-N 304.777 3.161 10 10 DGCE Nc1ccc(OCCC[S@](=O)c2cc(F)ccc2F)cc1 40970816 YTDAXEZSBHTDLU-OAQYLSRUSA-N 311.353 3.124 10 10 DGCE c1cc(CNCc2ccc3c(c2)CCO3)cc(Cn2cccn2)c1 55171965 CRAHTQFIFGFOJI-UHFFFAOYSA-N 319.408 3.156 10 10 DGCE Nc1ccc(NC(=O)CCOCc2cccc(Cl)c2)cc1 87092008 ZFHNZTKLVLTQON-UHFFFAOYSA-N 304.777 3.468 10 10 DGCE C[C@H](N)c1ccc(N(C)C[C@H]2CCCO2)c(Br)c1 109568702 HIYZGCOLWWBGLB-CMPLNLGQSA-N 313.239 3.084 10 10 DGCE C[C@H](CC1CC1)NC(=O)NCc1ccc2c(c1)CCCN2C 112722001 TYRSTEPLJVJGRK-CYBMUJFWSA-N 301.434 3.057 10 10 DGCE COc1ccc2c(c1)CCN2Cc1cn(C)nc1-c1cccnc1 127686710 MOVMEQOTZNNUCI-UHFFFAOYSA-N 320.396 3.053 10 10 DGCE C[C@H](N)c1ccc(N(C)[C@@H]2CCO[C@H]2C)c(Br)c1 159719955 ZSPCVNMAFNBCTQ-OUJBWJOFSA-N 313.239 3.082 10 10 DGCE COc1ccc(N(Cc2nc(C3CC3)n[nH]2)[C@H](C)C2CC2)cc1 180431055 WEFQQZRZLIUXRA-GFCCVEGCSA-N 312.417 3.496 10 10 DGCE Cc1ccc(O)c([C@H](C)N[C@H]2CCN(c3ccccc3)C2=O)c1 185812793 KAACORXIBABBHC-YOEHRIQHSA-N 310.397 3.157 10 10 DGCE Cc1cc(NCc2ccc(O)c(O)c2O)ccc1Br 226751752 WIWSGWZAWMYWED-UHFFFAOYSA-N 324.174 3.486 10 10 DGCE CC[C@@H]1CCCCCN1c1cc2c(cc1Cl)[C@@H](N)C(=O)N2 229596995 QDPNHLALKICXLZ-MEBBXXQBSA-N 307.825 3.451 10 10 DGCE COCCNCc1ccc(N2CCS[C@H](C)C2)cc1Cl 234688611 DCXVKHTXJLIQIC-GFCCVEGCSA-N 314.882 3.018 10 10 DGCE Nc1ccc(Oc2c(Br)cncc2[N+](=O)[O-])cc1 236356215 PMEXMOCEXBEJHZ-UHFFFAOYSA-N 310.107 3.127 10 10 DGCE CC(=O)N(C(=O)Oc1cccc(Cl)c1)c1ccc(N)cc1 244238132 WFJSROANOCAEBZ-UHFFFAOYSA-N 304.733 3.474 10 10 DGCE COc1ccc(F)cc1CN[C@H](C)c1cc([N+](=O)[O-])ccc1O 275373788 WFXJHQGIHSALAV-SNVBAGLBSA-N 320.320 3.299 10 10 DGCE CN[C@H](C)c1ccc(N2CCSCC2)cc1Br 300513159 CYFDENOFCNSAEP-SNVBAGLBSA-N 315.280 3.283 10 10 DGCE C[C@@H](NCc1cc(Cl)ccc1O)c1nnc2n1CCCCC2 315378271 DFYREPPEMNENSX-LLVKDONJSA-N 320.824 3.214 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2c(c1)CCN2 324100605 CKIFODDAPSSMHF-UHFFFAOYSA-N 323.440 3.383 10 10 DGCE COC[C@@H](C)CN(C)c1ccc([C@H](C)N)cc1Br 386323991 LCFRBOUNIAWFCN-QWRGUYRKSA-N 315.255 3.188 10 10 DGCE CCN[C@H](C)c1ccc(N(C)[C@@H](C)C[S@](C)=O)c(Cl)c1 399250259 LGGSUVUKCJSJIT-ZBUHCNDUSA-N 316.898 3.214 10 10 DGCE COc1ccc(CNC(=O)C2(C)CCC(F)(F)CC2)c(O)c1 529225912 BNQPVPDDLRQXCO-UHFFFAOYSA-N 313.344 3.233 10 10 DGCE Cc1ccc(O)c(CNCC2CC(NC(=O)OC(C)(C)C)C2)c1 715082341 WYGYHZTYRBQYSZ-UHFFFAOYSA-N 320.433 3.094 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)NCC[C@@H]1CCOC1 752393053 MRYOHJCRCCVNSO-CQSZACIVSA-N 318.442 3.312 10 10 DGCE C[C@@]1(C(=O)O)CCC[C@H]1NCc1cc(Cl)cc(Cl)c1O 756391000 XGDXABFDEOJPJK-BXUZGUMPSA-N 318.200 3.432 10 10 DGCE C[C@@H](NC(=O)NCCc1ccsc1)c1ccc(N(C)C)cc1 773188900 UBMRDUIDTCUUEQ-CYBMUJFWSA-N 317.458 3.417 10 10 DGCE COc1ccc(CNC(=O)NC2CCC(C)(C)CC2)c(O)c1 793043615 BETDMKLGODRXDB-UHFFFAOYSA-N 306.406 3.169 10 10 DGCE CO[C@@H](C)c1nsc(NCCCSc2nccs2)n1 800851490 CIRPFDZTVCTXLC-QMMMGPOBSA-N 316.477 3.296 10 10 DGCE CO[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)C1CCCC1 821841828 GEQPGJRKZVXBQK-SFHVURJKSA-N 316.445 3.108 10 10 DGCE Cc1nnc([C@H](C)NC/C=C\c2ccc(N(C)C)cc2)s1 835046929 AJKMQVVFLJPBNW-FJOGCWAESA-N 302.447 3.277 10 10 DGCE Nc1ccc(NC(=O)c2ccccc2CC2CCNCC2)cc1 841845856 GMVBVTFPHXZDJX-UHFFFAOYSA-N 309.413 3.063 10 10 DGCE C[C@H](NC[C@H]1CCC2(CCCC2)O1)c1cc([N+](=O)[O-])ccc1O 848570260 JSWJMTUUYVJOOT-GXTWGEPZSA-N 320.389 3.443 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)c1ocnc1C(F)F 860243285 JFAWIHVSKAUSTI-UHFFFAOYSA-N 322.311 3.127 10 10 DGCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCC[C@H](C)F)c1 861835114 OQLYOLLAKUGZRB-LBPRGKRZSA-N 316.376 3.385 10 10 DGCE CCC(NC(=O)/C=C\c1ccc(O)c(O)c1)(C1CC1)C1CC1 862685928 KVJFTLDIAONAHV-WMZJFQQLSA-N 301.386 3.196 10 10 DGCE CC/C=C(/F)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 866900150 UFYZFFHZITXQQI-ULIPXBITSA-N 307.365 3.163 10 10 DGCE CS[C@@H]1CC[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 896697675 WYEBSSBKSYYUQM-VHSXEESVSA-N 323.439 3.326 10 10 DGCE Cc1ccccc1[C@@H](NC/C=C/c1ccc(N(C)C)cc1)C(=O)O 904033105 QQEKSIHCTBFLPK-ZLQZBKBYSA-N 324.424 3.490 10 10 DGCE CC(C)[C@H](NC(=O)NCc1cccc(Cl)c1O)C(F)(F)F 931037438 BFHBABAAGBXYDQ-NSHDSACASA-N 324.730 3.432 10 10 DGCE O=Cc1ccc(/C=C\C(=O)NCc2cccc(Cl)c2O)cc1 1159041289 GZGQSNUBHNMOBP-HJWRWDBZSA-N 315.756 3.188 10 10 DGCE c1cc2c(cc1CNC[C@@H]1CCC3(CCC3)CO1)CCCO2 1179593085 NEXKITPNBQMBMM-KRWDZBQOSA-N 301.430 3.451 10 10 DGCE C[C@H](N[C@@H](C)c1ccccc1O)C(=O)Nc1ccc(F)cc1F 1197004411 QVWBZTPJYPNPIB-QWRGUYRKSA-N 320.339 3.348 10 10 DGCE CC[C@H](CNC(=O)C=C1CCC1)NCc1ccc(OC)c(C)c1 1267800958 ITXKEFRDDTUSTP-QGZVFWFLSA-N 316.445 3.098 10 10 DGCE C[C@@H](O)[C@@H](NCc1ccc(N2CCCC2)cc1)c1ccccc1 1327263999 NRICZDYLHXESRX-OXQOHEQNSA-N 310.441 3.499 10 10 DGCE CC[C@@H]1CCCC[C@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1 1450416436 ULCMPXCTXFXOEE-SUMGSTKGSA-N 303.402 3.444 10 10 DGCE C[C@H]1CCc2c(C(=O)NCc3cc(O)ccc3O)csc2C1 1593873500 QWFVQVQIRLSZSD-JTQLQIEISA-N 317.410 3.214 10 10 DGCE CCOc1ccc(OC(=O)c2ccc(N=NC(N)=O)cc2)cc1 1628789043 JIHGEXLCJQWTRN-UHFFFAOYSA-N 313.313 3.467 10 10 DGCE C[C@@H](NC(=O)c1ccc2oc(S)nc2c1)c1ccccc1O 1643742079 NLSUJSPNXPGBSD-SECBINFHSA-N 314.366 3.313 10 10 DGCE Cc1ccc(C2(C(=O)NCc3cc(O)ccc3O)CCC2)cc1 1643881899 JOSYZHHKHOCGQZ-UHFFFAOYSA-N 311.381 3.144 10 10 DGCE O=C(/C=C/c1ccc(Cl)s1)NCc1c(O)cccc1O 1645366683 YKUXMISOXCGDGO-FNORWQNLSA-N 309.774 3.142 10 10 DGCE O=C(CCCc1c[nH]c2ccccc12)NCc1cc(O)ccc1O 1651222705 NDJCSDJUCFVGJT-UHFFFAOYSA-N 324.380 3.218 10 10 DGCE Cc1nc2ccccc2c(C)c1C(=O)NCc1cc(O)ccc1O 1651225355 GQBJHUKSCNHLGB-UHFFFAOYSA-N 322.364 3.193 10 10 DGCE CCC(C)(C)C(=O)N(C)[C@@H](C)CNCc1ccc(OC)c(C)c1 1666983197 WAZJGEZZYFFZNA-HNNXBMFYSA-N 320.477 3.376 10 10 DGCE CCCC1=NN(c2ccccn2)C(=O)/C1=C/c1ccc(O)cc1O 1865654343 RGQAUDWJPMJKTJ-GXDHUFHOSA-N 323.352 3.079 10 10 DGCE C[C@H](O)c1ccc(N2C[C@H](C)[C@H](F)C2)cc1Br 1947313775 VZVZLQFJLJIRST-MWODSPESSA-N 302.187 3.297 10 10 DGCE Cn1ncc(Br)c1NCc1cc(Cl)ccc1O 1949996586 ZEJZEZKKDMITTM-UHFFFAOYSA-N 316.586 3.154 10 10 DGCE C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1c1ccc(N)cc1 1959572004 LLKXQRKJQWWIEQ-OLZOCXBDSA-N 305.422 3.008 10 10 DGCE Cc1ccc([C@H](C)NC[C@H]2C[C@@H]2NC(=O)OC(C)(C)C)c(O)c1 1978009211 PJBIHHPMSUBBQV-GUTXKFCHSA-N 320.433 3.264 10 10 DGCE Cc1n[nH]c(C)c1NC(=O)C=Cc1ccc2c(c1)CCCN2C 2042455205 XUTLOTLCLLCVEY-UHFFFAOYSA-N 310.401 3.061 10 10 DGCE CC=C1CN(c2ccc(C=CC(=O)O)c(Br)c2)C1 2058789496 VHODYTGRSKLRPA-UHFFFAOYSA-N 308.175 3.313 10 10 DGCE C[C@H](N)c1ccc(N2C[C@H](F)C[C@@H](F)C2)cc1Br 2062396700 OKGRDGKZACNXRC-IVZWLZJFSA-N 319.193 3.355 10 10 DGCE CNCc1cc(CC(C)C)nn1[C@@H](C)c1cccc(C)c1O 2070048742 NYPKXTWPDMSVOT-AWEZNQCLSA-N 301.434 3.424 10 10 DGCE C[C@H](c1c(O)cccc1F)n1nc(C2CCCC2)cc1CN 2070133478 CWNQCJGFEVTHKF-LLVKDONJSA-N 303.381 3.453 10 10 DGCE COC[C@@]1(C)CCCN1Cc1c(O)cccc1Br 2084136987 AWCPERSHZJMXOS-CQSZACIVSA-N 314.223 3.156 10 10 DGCE CN1CCc2cc([C@H](N)c3ccc(Br)cc3)ccc21 2098452895 LVTWQCOGEMNEQB-MRXNPFEDSA-N 317.230 3.490 10 10 DGCE C[C@@H](O)c1ccc(N2CCS[C@@H]3COCC[C@@H]32)cc1Cl 2170505241 ODXPPBYUTMAFBB-WKPIXPDZSA-N 313.850 3.104 10 10 DGCE CCNCc1ccc(N(C)[C@@H]2CCOC[C@H]2F)cc1Cl 2186754450 NEKAKFPJWAURLY-HUUCEWRRSA-N 300.805 3.013 10 10 DGCE CC[C@H](C)NCc1cc(F)c(N(C)C2CSC2)c(F)c1 2240010281 LMYRORVQXJDXLR-JTQLQIEISA-N 300.418 3.405 10 10 DGCE CNc1cc(NCc2cnc(SC)s2)cc([N+](=O)[O-])c1 2284708837 CCZXLIDYANYNGR-UHFFFAOYSA-N 310.404 3.427 10 10 DGCE CSc1ncc(CNC(=O)c2cc(F)c(F)c(F)c2)s1 2284729052 PNHFMTLOCMJCIR-UHFFFAOYSA-N 318.345 3.212 10 10 DGCE Cc1ccc(CN2C[C@H]3C[C@H]2CS3)c(O)c1Br 2307474106 TZCNFMFCRSXMHN-WDEREUQCSA-N 314.248 3.153 10 10 DGCE Oc1c(Br)cccc1CN[C@H]1C[C@@H]2C[C@H]1[C@H]1C[C@@H]21 2309579139 STXFJXPGWGOLOX-JNLQPACOSA-N 308.219 3.289 10 10 DGCE COc1ccc(OC)c(C=C2SC(=S)N(C3CC3)C2=O)c1 2318683837 JDHXQQGNBJOQCV-UHFFFAOYSA-N 321.423 3.067 10 10 DGCE COc1ccc(O)c(CN2CCC[C@@H](c3nccs3)C2)c1 179963654 IJASZDHGRKIPGX-GFCCVEGCSA-N 304.415 3.237 10 10 DGCE C[C@H](N)c1ccc(N(C)[C@H]2CCO[C@H]2C)cc1Br 300519365 UGBIOUMPNMKXPW-BHDSKKPTSA-N 313.239 3.082 10 10 DGCE CNCc1cc(F)c(N(C)C[C@H]2C[C@H](SC)C2)c(F)c1 2360913650 LOZWBXXHACUNGB-HAQNSBGRSA-N 300.418 3.262 10 10 DGCE Cc1nn(C)c(C)c1C[C@H](C)N[C@@H](C)c1ccc(F)cc1O 185559158 JOTMTHLCKODSCR-QWRGUYRKSA-N 305.397 3.163 10 10 DGCE Cc1nn(C)c(C)c1NCc1cc(Br)ccc1O 227635787 KDUYISCONQNPQL-UHFFFAOYSA-N 310.195 3.117 10 10 DGCE CCN(CC)c1ccc(CN[C@H](C)c2ccnn2C)cc1F 192848086 HYUFJKUVVXNPDU-CYBMUJFWSA-N 304.413 3.256 10 10 DGCE Cc1ccc(O)c(CN[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c1 381387570 RBCTYOYQYPCEOV-CHWSQXEVSA-N 308.422 3.092 10 10 DGCE CCOc1ccc(CNC[C@H]2CCN2C2CCCCC2)c(O)c1 527751686 KLPUPRBJSIJCKJ-QGZVFWFLSA-N 318.461 3.288 10 10 DGCE CCOCc1cc(CNCC[C@H]2CCCOC2)ccc1OC 527736708 FEHHIFXSSNWYLX-OAHLLOKOSA-N 307.434 3.138 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(CC(C)=O)CCC1 279281090 WUJSQQAUTSSNHC-UHFFFAOYSA-N 316.445 3.251 10 10 DGCE CC[C@H](NCc1cc(Cl)cc(C)c1O)[C@@H](O)C(F)(F)F 271788356 GGSSXPIMNILWOS-CMPLNLGQSA-N 311.731 3.145 10 10 DGCE CC[C@H](NC[C@@H](O)c1ccccc1OC)c1ccc(F)cc1O 285541482 CCNKVKWNKYAFFM-DOTOQJQBSA-N 319.376 3.314 10 10 DGCE CC1(C)[C@@H](NC(=O)c2cc(O)cs2)C[C@H]1Oc1ccccc1 807891573 RBCWEQVLSJMDIR-LSDHHAIUSA-N 317.410 3.430 10 10 DGCE CC(=O)C(=O)COC(=O)c1cc(C)ccc1SC1CCCC1 808534025 DXSFOXFJPSJOCZ-UHFFFAOYSA-N 320.410 3.345 10 10 DGCE CC[C@H](O)CN(Cc1cccc2c1CCNC2)c1ccccc1 662253269 HBFYDLVNUVACOG-IBGZPJMESA-N 310.441 3.110 10 10 DGCE c1cc(N2CCCC2)ccc1CN[C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 902742286 NBYNQBMTYCAVLA-CENDIDJXSA-N 312.457 3.190 10 10 DGCE CCOc1ccc(O)c(CN[C@H](C(C)C)C2(CO)CCCC2)c1 835065276 GWUBBMHHKNCACK-GOSISDBHSA-N 321.461 3.458 10 10 DGCE CC(C)N(C)c1ccc(/C=C2\C(=O)N(C)c3ccccc32)cn1 588577793 QDEVGYBZYJOSSR-WJDWOHSUSA-N 307.397 3.443 10 10 DGCE CCC[C@H](C)[C@H](CO)NCc1cc(Cl)cc(C(C)=O)c1O 844378707 LUZQAJNOBXRZQM-BONVTDFDSA-N 313.825 3.135 10 10 DGCE CCCN(CCC)c1ccc(CN2C[C@@H]3C[C@H]2C[S@]3=O)cc1 846100608 PDENUKBPNZLKMP-NPPFBWRTSA-N 320.502 3.018 10 10 DGCE C[C@H](NC[C@@H](O)Cc1ccccc1)c1ccc(Cl)cc1O 841746554 HTTBRQAZQWDNMV-WFASDCNBSA-N 305.805 3.300 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@H](C)c3nccs3)C2)cc1 850489257 SFYUASBAFQTKKX-CHWSQXEVSA-N 303.431 3.081 10 10 DGCE C[C@@]1(CNCc2ccc(N3CCOCC3)cc2)C[C@@H]2C[C@@H]2C1 858290842 IMNCANLSBCULES-DZFIZOCASA-N 300.446 3.049 10 10 DGCE COc1ccc(N2CC[C@H](N[C@@H](C)CC3(OC)CCC3)C2)cc1 850489911 XXIAQRVYUOXIKQ-HOTGVXAUSA-N 318.461 3.211 10 10 DGCE C[C@@H](NC[C@H]1CCN1C1CCCC1)c1ccc(N(C)C)cc1 858532282 IMPHVWVDEOOLFM-DNVCBOLYSA-N 301.478 3.420 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)OCCc1cccc(F)c1F 759589297 QZDIMTSZZOZMJG-ALCCZGGFSA-N 320.291 3.175 10 10 DGCE Nc1cccc(Br)c1N[C@H]1CCN2CCCC[C@H]12 697528950 LOSYUGBDCSWYFE-QWHCGFSZSA-N 310.239 3.070 10 10 DGCE Cc1ccc(C(=O)N[C@@H]2CC23CC3)cc1-n1c(C)cc(C=O)c1C 862036119 PCIKTEPCHVUYOM-GOSISDBHSA-N 322.408 3.497 10 10 DGCE C[C@H]1CN(c2ccc(OC(F)(F)F)cc2Cl)CC[C@@H]1N 699643286 DYWYTOKONLMCNM-KWQFWETISA-N 308.731 3.412 10 10 DGCE CCN(C)c1ccc(CN2CCC[C@@H]([C@@H]3CCOC3)C2)cc1 773811171 WWOGFCBDMXVSPC-QZTJIDSGSA-N 302.462 3.391 10 10 DGCE CCCN(CCC)c1ccc(CN[C@H](C)c2ncnn2C)cc1 788971100 FSBMIKOFBQBWNS-OAHLLOKOSA-N 315.465 3.292 10 10 DGCE CN1CCCc2cc(CNC(=O)c3nc(Cl)cs3)ccc21 788742762 RKMIXQDZCGJVKS-UHFFFAOYSA-N 321.833 3.109 10 10 DGCE Clc1ccc(NCc2ccc(N3CCNCC3)cc2)cc1 84847282 XECOONPQAVIBPZ-UHFFFAOYSA-N 301.821 3.362 10 10 DGCE Oc1c(F)cc(F)cc1CN1CC[C@@H](O)C[C@@H]1c1ccccc1 895422798 OITWFUTZIWQABA-NVXWUHKLSA-N 319.351 3.368 10 10 DGCE C[C@@H](NC(=O)c1ccc(-n2cccn2)cc1)c1ccccc1O 1302530498 SAMCKBNYPCITEN-CYBMUJFWSA-N 307.353 3.069 10 10 DGCE CCOc1ncccc1C(=O)NCc1c(O)ccc2ccccc12 1304089889 PLYUJEYVMARWMZ-UHFFFAOYSA-N 322.364 3.269 10 10 DGCE CC(=O)c1ccc(C(=O)NCc2cccc(Cl)c2O)cc1 1159033757 NPFRNURMUXCSLN-UHFFFAOYSA-N 303.745 3.178 10 10 DGCE C[C@H](NC(=O)c1cc(Cl)c(F)cc1N)c1ccccc1O 1302538289 MDRBIZZXRMTDFW-QMMMGPOBSA-N 308.740 3.258 10 10 DGCE Cc1ccnc(Br)c1NCc1ccc(O)cc1O 2219983960 WGIFFZYTKKLHPV-UHFFFAOYSA-N 309.163 3.176 10 10 DGCE COc1ccc(CNC[C@H](C)NC(=O)CCC(C)C)cc1C 1268679599 KEVJUKBRKTUBPS-HNNXBMFYSA-N 306.450 3.034 10 10 DGCE CCCC[C@H](O)CCC(=O)N(CC)Cc1ccc(N(C)C)cc1 1442341293 GSVXYLBBVBUDGU-SFHVURJKSA-N 320.477 3.432 10 10 DGCE C/C(=C\c1cccnc1)C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 1526959163 PXFZHUPPSMKXRO-MDWZMJQESA-N 323.352 3.291 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)[C@@]23CCCC[C@@H]2C3)cc1 1530904589 IUFZQDWJJVEJNK-DNVCBOLYSA-N 316.445 3.170 10 10 DGCE Cc1ncncc1NC(=O)Cc1cc(C)n(-c2ccccc2)c1C 1539419933 KNIUHGVPKOXIDD-UHFFFAOYSA-N 320.396 3.374 10 10 DGCE Cc1cnc(NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)nc1 1535279616 BIWVOIGRUOTJLI-UHFFFAOYSA-N 320.396 3.374 10 10 DGCE CCN(CC)c1ccc(CNC(=O)c2cc(F)ccc2N)cc1 1543179873 WWWGUPAKFGPAMD-UHFFFAOYSA-N 315.392 3.184 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)c1ncncc1Cl 1559060427 MNFXFHDXQJYIHP-UHFFFAOYSA-N 302.809 3.367 10 10 DGCE O=C(c1ncc(C(F)(F)F)s1)N1Cc2cccc(O)c2C1 1558035334 GUEDSUMSDGFXCL-UHFFFAOYSA-N 314.288 3.024 10 10 DGCE COc1cc(N(C)Cc2ccccc2F)c([N+](=O)[O-])cc1OC 1650654848 SIWJCEHBPMPPCH-UHFFFAOYSA-N 320.320 3.388 10 10 DGCE O=C(c1cnc(-c2ccccn2)s1)N1Cc2cccc(O)c2C1 1587929031 VPNQVLBCWKWYLT-UHFFFAOYSA-N 323.377 3.067 10 10 DGCE CN(C)[C@H]1CCCN(c2ccc(CNC3CC3)cc2Cl)C1 164127681 ACIHJKXQDTVAIT-HNNXBMFYSA-N 307.869 3.122 10 10 DGCE C[C@@H](NCCc1cc(F)cc2c1OCOC2)c1ccccc1O 154194834 SZRUNRXFFBKNTP-GFCCVEGCSA-N 317.360 3.291 10 10 DGCE OCc1ccc(N2C[C@H]3CC[C@@]2(F)C3)c(Br)c1 1943055205 SBUKKAZNNJIJKM-GWCFXTLKSA-N 300.171 3.227 10 10 DGCE Cc1csnc1CNCc1c(O)cccc1Br 1947785174 CKZRSWGDIAEXLQ-UHFFFAOYSA-N 313.220 3.209 10 10 DGCE C[C@@H]1C[C@@H](N(C)c2ccc(CN)cc2Br)CS1 2015487867 ZWTPTGPCMKNSBX-MWLCHTKSSA-N 315.280 3.238 10 10 DGCE COc1ccc2nc(Sc3ncc([C@H](C)N)s3)[nH]c2c1 2159809288 NLPYXJPRBVOZKU-ZETCQYMHSA-N 306.416 3.199 10 10 DGCE CCNCc1ccc(N2CC(F)(CC)C2)cc1Br 2032476118 OJJAPBZAWCOOJW-UHFFFAOYSA-N 315.230 3.497 10 10 DGCE CO[C@H](C)CN(c1ccc(CO)cc1Br)C(C)C 688031240 ONURINPGBNIAFP-LLVKDONJSA-N 316.239 3.191 10 10 DGCE COCCNCc1ccc(N2CCC[C@@H](F)C2)cc1Cl 689493932 MKIRILKWCVSIRX-CYBMUJFWSA-N 300.805 3.014 10 10 DGCE CN(Cc1cnns1)c1ccc(CNC2CC2)cc1Cl 400022869 MHNHNTSKHRORME-UHFFFAOYSA-N 308.838 3.080 10 10 DGCE CC(C)Cc1cc(N)n(Cc2c(O)cccc2Br)n1 2070171788 JHBBKARXASAQDA-UHFFFAOYSA-N 324.222 3.180 10 10 DGCE CO[C@H]1CC[C@H](N(C)Cc2cccc(Br)c2O)C1 2067116121 YIXHQIKHCJMDJJ-RYUDHWBXSA-N 314.223 3.154 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCNCC12CCC2 2097018812 PZDKOQNDMWYPMQ-UHFFFAOYSA-N 301.217 3.027 10 10 DGCE CCC1([C@@H](N)c2ccccc2O)CC(NC(=O)OC(C)(C)C)C1 2210317987 CTFAWYIOCRHNAL-KVIBHRHWSA-N 320.433 3.476 10 10 DGCE Cc1cc(O)cc(C)c1NS(=O)(=O)CCCC(F)(F)F 2239728106 XGEGTKGBUVMZIN-UHFFFAOYSA-N 311.325 3.093 10 10 DGCE CNCc1ccc(N2C[C@H]3C[C@H]3C2(C)C)cc1Br 2257027126 QZFVFTGRBMBNFM-DGCLKSJQSA-N 309.251 3.403 10 10 DGCE CCCN[C@H](C)c1cnc(SC[C@]2(OC)CCOC2)s1 2285439523 LGAMBTAMVSGMBG-RISCZKNCSA-N 316.492 3.101 10 10 DGCE Cc1cc(C=CC(=O)NCC2(C)COC2)c(C)n1-c1ccccc1 2297547386 YAMRBKCYGRFRJT-UHFFFAOYSA-N 324.424 3.260 10 10 DGCE CCN1CCN(N=Nc2ccc(Cc3ccncc3)cc2)CC1 2330232637 KERGUHBULROEOW-UHFFFAOYSA-N 309.417 3.309 10 10 DGCE COC[C@H](C)CCNCc1ccc(C)c(Br)c1O 2327621837 RJHKSXVEMFYOOF-SNVBAGLBSA-N 316.239 3.225 10 10 DGCE CCNCc1ccc(N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)c(Br)c1 2329270792 JBPUXCZDSHIQKX-QCQGSNGOSA-N 321.262 3.403 10 10 DGCE CC(C)(C)N1C(=O)c2ccc(Oc3ccc(N)cc3)cc2C1=O 7448037 OHCMRICBSPRVOU-UHFFFAOYSA-N 310.353 3.456 10 10 DGCE Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(O)c1O 179409587 HOGYCNUBOLDBSV-NXEZZACHSA-N 317.307 3.257 10 10 DGCE Cc1cc(Cl)cc(CN2CCC[C@H](c3ccn[nH]3)C2)c1O 179780524 JGOXANQBSOWPJV-LBPRGKRZSA-N 305.809 3.457 10 10 DGCE Nc1ccc(NC(=O)CCN(Cc2ccccc2)C2CC2)cc1 302868085 FCRPTFXISJZTIP-UHFFFAOYSA-N 309.413 3.262 10 10 DGCE COc1ccc(O)c([C@@H](C)N[C@@H](C)c2nc(C(C)(C)C)no2)c1 182366188 UESOAWWLFCCRLK-MNOVXSKESA-N 319.405 3.493 10 10 DGCE Cc1cccc([C@@H]2C[C@@H](N)CCN2C(=O)OC(C)(C)C)c1O 1952137471 VJBIBXCHBBIOCL-JSGCOSHPSA-N 306.406 3.100 10 10 DGCE Oc1cc(OCc2ccccc2)ccc1[C@H]1NCCCC[C@@H]1O 1952133508 YEVANUYZRHPBAD-PKOBYXMFSA-N 313.397 3.147 10 10 DGCE Cc1ccc(O)c([C@@H](C)NCCCc2c(C)nn(C)c2C)c1 186227619 HNTVKZZTNKOMGV-CYBMUJFWSA-N 301.434 3.334 10 10 DGCE CCN[C@](C)(CCCCSc1nccs1)C(=O)OCC 45596442 NWUCLYXTDYGEIZ-CQSZACIVSA-N 316.492 3.337 10 10 DGCE C[C@H](NC/C=C/CNC(=O)OC(C)(C)C)c1cc(F)ccc1O 227760446 KOHADDNWWVHWIS-FYJFLYSWSA-N 324.396 3.263 10 10 DGCE CC[C@]1(C)CN(c2cc(Cl)c(OC)cc2OC)CCCN1 86287797 JRYSQPWVRWFFLW-MRXNPFEDSA-N 312.841 3.326 10 10 DGCE C[C@@H]1CCN(c2ccc(/C=C/C(=O)O)c(Br)c2)C1 235346042 MWRHGCSJPXDDNV-RXNUUUNCSA-N 310.191 3.393 10 10 DGCE CSC[C@@H](C)N(C)c1ccc(CN)c(Br)c1F 231840626 HMFPRDHMJQRYIZ-MRVPVSSYSA-N 321.259 3.235 10 10 DGCE C[C@@H](N)c1ccc(N(C)C[C@@H]2CCCO2)cc1Br 235204577 KOGCPJSTFRWXBZ-PWSUYJOCSA-N 313.239 3.084 10 10 DGCE C[C@@H](Cn1cncn1)N[C@H](C)c1ccc(N2CCCCC2)cc1 269068954 ZRHJKMYDBOGDDV-JKSUJKDBSA-N 313.449 3.008 10 10 DGCE CC(C)C[C@@H](c1ccc(F)c(Cl)c1O)N1CCNCC1 575274916 UOBQFJIJNHGITB-ZDUSSCGKSA-N 300.805 3.177 10 10 DGCE CCc1cccc(CN2CCO[C@H](CC(F)(F)F)C2)c1O 827786051 HAZSZINEFGGUJB-CYBMUJFWSA-N 303.324 3.108 10 10 DGCE Cc1ccc(O)c(CN[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c1 721884335 UQQMUHTXCPEKRV-UKRRQHHQSA-N 320.433 3.046 10 10 DGCE Cc1cc(C)cc(/C=C\C(=O)NCCc2ccc(O)c(O)c2)c1 588383931 CBANLVXIDUHMAG-XQRVVYSFSA-N 311.381 3.087 10 10 DGCE COc1cccc([C@@H](C)NCCCc2c(C)nn(C)c2C)c1O 846159532 PYAZUFMBYSYEHZ-GFCCVEGCSA-N 317.433 3.035 10 10 DGCE CN(c1ccc(OCc2ccccc2)cc1)[C@H]1CNCC12CC2 1899893794 ROKACGZRCWQCNK-IBGZPJMESA-N 308.425 3.454 10 10 DGCE C[C@H]1CN(C)C[C@@H]1NCc1ccc(N(C)C2CCCCC2)cc1 756106329 IHMORIFFYFZLMG-JXFKEZNVSA-N 315.505 3.495 10 10 DGCE C[C@]12COC[C@@]1(C)CN(Cc1cc3c(cc1O)CCCC3)C2 853543381 WSUUAHJXHHRWTN-KDURUIRLSA-N 301.430 3.129 10 10 DGCE Cc1ccc(O)c([C@H](C)NCCc2cn(C)c3ncccc23)c1 866572627 DDSUUZVETUOSHS-AWEZNQCLSA-N 309.413 3.481 10 10 DGCE O=C(OCc1cncn1Cc1ccccc1)c1cc(O)cs1 783607315 GIDGSNPIVQIXGK-UHFFFAOYSA-N 314.366 3.056 10 10 DGCE Nc1ccc(Oc2cc(Br)ccc2[N+](=O)[O-])nc1 703816553 FHVTUYMVTQXUMM-UHFFFAOYSA-N 310.107 3.127 10 10 DGCE C[C@@H]1CCN(Cc2cc(Br)ccc2O)C[C@@H](C)O1 694863504 ANAYFNCDGUZQFW-GHMZBOCLSA-N 314.223 3.154 10 10 DGCE C[C@H]1Cc2cc(NC(=O)c3ccc(N=NC(N)=O)cc3)ccc2O1 1179509610 GMOJIRQBFCJAKB-JTQLQIEISA-N 324.340 3.425 10 10 DGCE O=S(=O)(Nc1ccc(O)c(Cl)c1)[C@H]1CCCC[C@H]1F 2118895179 WYWWLGYKGNNCGZ-PWSUYJOCSA-N 307.774 3.068 10 10 DGCE Oc1cccc(Br)c1CN[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@@H]12 1663121645 BWJHHUAOTGDHOF-NPIHSRPLSA-N 308.219 3.289 10 10 DGCE O=C(Cc1ccccc1)NCc1cccc(Br)c1O 1339117617 XOJPQFHFTKUGHC-UHFFFAOYSA-N 320.186 3.014 10 10 DGCE [N-]=[N+]=N[C@H]1CCN(C(=O)c2c(F)cccc2Br)C1 1912170282 VGHQOCQJKPCIRP-ZETCQYMHSA-N 313.130 3.113 10 10 DGCE C[C@H](O)c1ccc(N2CC3(C2)CC3(F)F)cc1Br 1914922994 WKPLGPFBUPSBJV-QMMMGPOBSA-N 318.161 3.348 10 10 DGCE CCc1ccc([C@@H](C)CC(=O)NCc2cccc(O)c2O)cc1 1520509703 UKUFDJHRULAOML-ZDUSSCGKSA-N 313.397 3.470 10 10 DGCE COc1cc(OC)cc(N(C)C(=O)/C=C\c2cccnc2C)c1 1538633409 SCXVTJMNRQKVIZ-FPLPWBNLSA-N 312.369 3.083 10 10 DGCE COC(=O)CN(Cc1cc(Cl)ccc1O)CC1CC(C)C1 1473234490 TUWUAXZVLPFUCI-UHFFFAOYSA-N 311.809 3.067 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H](O)C1CCC1 1626544238 YACVWRSWEFUMBR-HNNXBMFYSA-N 318.442 3.046 10 10 DGCE CCCCC[C@H](O)C(=O)N(C)Cc1ccc(N(CC)CC)cc1 1623451953 PBRRWLJSWBKOOD-SFHVURJKSA-N 320.477 3.432 10 10 DGCE O=C(NCc1cccc(O)c1O)c1cc2cc(F)ccc2s1 1633508190 LNGXNHSYMYJOGJ-UHFFFAOYSA-N 317.341 3.382 10 10 DGCE C[C@@H](NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccccc1O 1635793925 NZQUJFOKULDGRV-CQSZACIVSA-N 321.380 3.128 10 10 DGCE O=C(NCc1c(O)cccc1O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 1635846998 GBUHZLFFCPRRIY-HZSPNIEDSA-N 303.402 3.321 10 10 DGCE C[C@H](CSc1ccccc1)C(=O)NCc1ccc(O)cc1O 1570462280 MFULBOOZSDZLCE-GFCCVEGCSA-N 317.410 3.142 10 10 DGCE CSc1nc(NCc2c(O)cccc2O)cc(C(F)F)n1 1643225909 GKQQPVJAUQIHDN-UHFFFAOYSA-N 313.329 3.159 10 10 DGCE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H](N)c1ccccc1O 1928477628 WZMPWXJXCIYUKT-HIFRSBDPSA-N 306.406 3.182 10 10 DGCE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(CCCCN=[N+]=[N-])C1 1962297773 ASONFJCFXWJFBK-QWHCGFSZSA-N 311.430 3.312 10 10 DGCE CC[C@@H](NCc1cccnc1N(C)C)c1ccc(N(C)C)cc1 154764916 VZWDUGRYDCAMRU-GOSISDBHSA-N 312.461 3.455 10 10 DGCE Cc1ccc(/C=C2/SC(=S)N(CCCCCO)C2=O)cc1 1858589969 RLUGXYPIAOGHTB-SDNWHVSQSA-N 321.467 3.359 10 10 DGCE CCCN1N=C(c2ccc(OC)cc2)/C(=C\c2ccncc2)C1=O 1865673547 KSTKJHJRCSBHOS-GHRIWEEISA-N 321.380 3.130 10 10 DGCE CN(CCCNCc1ccc(N(C)C)cc1)Cc1ccccc1 237083059 CQJQBZVBDPKNMA-UHFFFAOYSA-N 311.473 3.364 10 10 DGCE c1coc([C@@H]2COCCN2Cc2ccc(N3CCCC3)cc2)c1 1319949682 BURJIDAOPAKKIW-SFHVURJKSA-N 312.413 3.453 10 10 DGCE COc1ccc(Br)c(CNCC=C(C)C)c1O 1964571783 DHXBHVIXYRSPSY-UHFFFAOYSA-N 300.196 3.219 10 10 DGCE CC1(C)CN(Cc2ccccc2)CCN1Cc1ccc(N)cc1 1976494715 WNMCPTIKBWJUFV-UHFFFAOYSA-N 309.457 3.365 10 10 DGCE Cc1cccc(O)c1[C@H](C(=O)O)N(C(=O)OC(C)(C)C)C1CC1 1976872475 GIBUKJMEESUIHO-CQSZACIVSA-N 321.373 3.226 10 10 DGCE OCc1ccc(N2CCS[C@@H]3CC[C@@H]32)c(C(F)(F)F)c1 2152207723 RSSAWJJVZIKYAQ-QWHCGFSZSA-N 303.349 3.282 10 10 DGCE CCCN(c1ccc(N)cc1)S(=O)(=O)c1ccc(Cl)o1 2152805235 YIWPFFHPIZSFOT-UHFFFAOYSA-N 314.794 3.121 10 10 DGCE Cc1ncc(NCc2cccc(O)c2O)cc1Br 2031598045 RVHGHYDFODHWRE-UHFFFAOYSA-N 309.163 3.176 10 10 DGCE CNCc1ccc(N2CCC(F)(F)CC2)cc1Br 405074856 CNKGYNXUQQKNCV-UHFFFAOYSA-N 319.193 3.404 10 10 DGCE c1cc(N2CCCC2)ccc1CN[C@@H]1CCCC2(C1)OCCO2 715667236 LKWJVKDXLYEJAV-QGZVFWFLSA-N 316.445 3.062 10 10 DGCE CN(C[C@@H]1C[C@H]1C(F)F)c1ccc(CN)cc1Br 2041756996 VQARRQLEKYQLST-VHSXEESVSA-N 319.193 3.245 10 10 DGCE CN(C[C@@H]1C[C@@H]2C[C@@H]2C1)c1ccc(CO)cc1Br 2045550395 SPJRGPMYCQBNLE-XYYAHUGASA-N 310.235 3.424 10 10 DGCE COC[C@@]1(C)CCN1c1ccc([C@@H](C)O)cc1Br 2055907910 ADXREZAIEJCIOP-QMTHXVAHSA-N 314.223 3.118 10 10 DGCE CCNCc1ccc(N(C)Cc2cocn2)c(Br)c1 2104096776 RERAYWHKTYLNSM-UHFFFAOYSA-N 324.222 3.183 10 10 DGCE Cc1cnc(Br)c(CN2CCC[C@@H](N=[N+]=[N-])C2)c1 2085939034 QYNMVLGUAFHPGE-LLVKDONJSA-N 310.199 3.427 10 10 DGCE C[C@@H](Nc1cn(C)nc1Br)c1cc(F)ccc1O 2223019960 SGIGBEHZKMYPSL-SSDOTTSWSA-N 314.158 3.200 10 10 DGCE COc1ccc(N2CCC[C@@](O)(C(F)(F)F)C2)cc1Cl 2235230718 LGJLQHHMZSVIPL-LBPRGKRZSA-N 309.715 3.242 10 10 DGCE CCN[C@@H](c1ccccc1O)c1cnsc1Br 2300278020 DGLQACDLOLLRGW-NSHDSACASA-N 313.220 3.310 10 10 DGCE Cc1cccc(C=CC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 2309813735 APTOUCJWGUWTAS-AWEZNQCLSA-N 311.381 3.167 10 10 DGCE CCO[C@@H]1CCN(Cc2ccc(C)c(Br)c2O)C1 2327564234 KJQVOYJGZXUNGT-GFCCVEGCSA-N 314.223 3.074 10 10 DGCE COC(=O)C1=C(C)N(C(C)C)C(=O)C1=Cc1ccc(Cl)cc1 2313499060 GOVHUDKLMKJBOZ-UHFFFAOYSA-N 319.788 3.421 10 10 DGCE Cc1ccnc(N(C)Cc2ccc(C)c(Br)c2O)n1 2352946698 NDNVPWOKCMRRNY-UHFFFAOYSA-N 322.206 3.198 10 10 DGCE CCCCCC1(C)OC(=O)C(=Cc2cccc(O)c2)C(=O)O1 58834006 DJDNZZFTTWNRQJ-UHFFFAOYSA-N 304.342 3.172 10 10 DGCE CC(C)N(Cc1cccs1)c1ccc2c(c1)NC(=O)[C@H]2N 105004539 HMKDEBSAZXCBAD-HNNXBMFYSA-N 301.415 3.115 10 10 DGCE CN1CCCc2cc(CNC(=O)N3C[C@H]4CCC[C@@H]4C3)ccc21 119304448 LCBGNJKLLCMYHV-IAGOWNOFSA-N 313.445 3.011 10 10 DGCE CCN[C@H](C)c1ccc(N2C[C@H](C)[C@H](N(C)C)C2)cc1Cl 124333464 BHSBINRFUWOUQS-OGHNNQOOSA-N 309.885 3.397 10 10 DGCE COc1ccc(O)c([C@@H](C)NCc2noc3c2CCCC3)c1 182412769 OLLNYJSAVSSUFS-LLVKDONJSA-N 302.374 3.118 10 10 DGCE C[C@@H](NCC(C)(C)NC(=O)OC(C)(C)C)c1cc(O)ccc1O 227710519 JUJJCEGBODYSNA-LLVKDONJSA-N 324.421 3.052 10 10 DGCE COc1ccc(CN2CCC[C@H](Nc3ccccc3)C2)c(O)c1 93704477 FFLVGEUGDARSQJ-KRWDZBQOSA-N 312.413 3.477 10 10 DGCE C[C@@H](N[C@@H]1CC=CCC1)c1ccc(N2CCC(O)CC2)cc1 90035719 AXAAENQOGYYIID-NVXWUHKLSA-N 300.446 3.407 10 10 DGCE Cc1ccc([C@H](C)NC[C@H](n2cccn2)C(F)(F)F)c(O)c1 527928694 COLVLUOYBNQLDW-FZMZJTMJSA-N 313.323 3.351 10 10 DGCE CCN1CCc2cc([C@@H](N)c3ncc(SC)s3)ccc21 2163140261 HMERKXUYHVEDDA-CQSZACIVSA-N 305.472 3.296 10 10 DGCE CCOCc1nc([C@H](C)N[C@H](C)c2ccc(N(C)C)cc2)no1 290214345 QEKMQCDAIICULP-OLZOCXBDSA-N 318.421 3.084 10 10 DGCE Oc1c(CNC[C@@H](O)Cc2ccccc2)ccc2ccccc12 816547984 QEGVWSKVHVNKCW-SFHVURJKSA-N 307.393 3.239 10 10 DGCE O=C(NCc1cc(Br)ccc1O)[C@@H]1CC[C@H]2C[C@@H]2C1 817601545 ARAYBIWGXUPFMZ-HBNTYKKESA-N 324.218 3.207 10 10 DGCE Cc1ncccc1/C=C/C(=O)NCc1c(O)ccc2c1CCCC2 827324094 YUKPOLLFYWRKQX-PKNBQFBNSA-N 322.408 3.304 10 10 DGCE Oc1ccccc1CN(Cc1cnn2c1CCC2)C1CCCC1 824778272 RGDCNBTXVAWVPN-UHFFFAOYSA-N 311.429 3.480 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)Nc1cc(F)ccn1 824836261 KTKMQIDALJZLTF-UHFFFAOYSA-N 315.348 3.127 10 10 DGCE C[C@H](CCCCC(=O)O)NC/C=C\c1ccc(N(C)C)cc1 903990909 FFDJBRIYYSYZNN-DDJMYBDESA-N 304.434 3.389 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCCC[C@@H]2[C@H]2CCCN2)cc1 843048121 OAFVERRODSYCKB-NHQAVIFJSA-N 313.489 3.372 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1nc2c(s1)CCC2 841406405 YTTGGJLWJGWDSH-UHFFFAOYSA-N 316.426 3.390 10 10 DGCE CC(C)CN(C)CCCNCc1cc(Cl)cc(F)c1O 845995828 HDTLPPBSWIHMNV-UHFFFAOYSA-N 302.821 3.252 10 10 DGCE Oc1cccc2c1[C@H](NC[C@H]1CCC[C@@H](C(F)(F)F)O1)CC2 926914739 JAZJYSNJDPWIOL-BZPMIXESSA-N 315.335 3.469 10 10 DGCE Oc1c(F)cc(F)cc1CNC[C@]1(c2ccccc2)CCCO1 922965646 ZOJQXLALZSYVHS-SFHVURJKSA-N 319.351 3.466 10 10 DGCE FC1(F)C[C@@H]1OCCNCc1ccc(N2CCCCC2)cc1 850365469 HRGXPGUCHCTPNS-INIZCTEOSA-N 310.388 3.191 10 10 DGCE CC[C@H](NCc1nccc(OC)c1F)c1ccc(C)cc1O 850537767 UFGVLYPRVYAKII-ZDUSSCGKSA-N 304.365 3.484 10 10 DGCE COc1c([N+](=O)[O-])ccc(CN2CC[C@@]3(CC[C@@H](C)C3)C2)c1O 775054249 MFYKUKOWERIZNS-SJKOYZFVSA-N 320.389 3.321 10 10 DGCE Cc1cc(Br)c(O)c(CNCCOC(C)(C)C)c1 781627531 AFAHRRMNPPANHW-UHFFFAOYSA-N 316.239 3.368 10 10 DGCE CO[C@@H](CCN[C@@H](C)c1cc(F)cc(F)c1O)C(F)(F)F 786955397 ZJXSQHWRXHFKSZ-CPCISQLKSA-N 313.266 3.288 10 10 DGCE c1cc(N2CCCCC2)ccc1CN[C@@H]1COC[C@H]1C1CC1 898385879 GSUQDGHJUBDYIG-RBUKOAKNSA-N 300.446 3.192 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)Cc2ccccc2Br)C1 692455836 HGPUOGAOMQXJMG-LLVKDONJSA-N 323.194 3.293 10 10 DGCE CC[C@@H]1[C@H](Nc2ccccc2N)CCN1C(=O)OC(C)(C)C 1959367792 PVVPHDSVZNEPOW-HUUCEWRRSA-N 305.422 3.469 10 10 DGCE Cc1cccc(N)c1N[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 1959370404 MHHDKBKXJXDFDV-OLZOCXBDSA-N 305.422 3.435 10 10 DGCE C[C@H]1[C@H](C)N(c2ccc(N)cc2)CCN1C(=O)OC(C)(C)C 1959561459 XWXIBMXYAJMYJS-STQMWFEESA-N 305.422 3.103 10 10 DGCE O=C(N[C@@H]1C[C@H]1C1CCCCC1)N1Cc2cccc(O)c2C1 1222567603 KGIMGNJACDUSIZ-GOEBONIOSA-N 300.402 3.386 10 10 DGCE COC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1O 1171731027 WKISGKYSNIZKSC-NSHDSACASA-N 314.341 3.062 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@](C)(Oc1ccc(N)cc1)C2 1901214077 ROYJPXSYUZYFFS-QITLCBANSA-N 318.417 3.436 10 10 DGCE CCCCC(=O)N1CCC[C@@H]1CNCc1ccc(OC)c(C)c1 1267951460 YZHWOMBOXTWZRX-QGZVFWFLSA-N 318.461 3.274 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)c1nccc2occc12 1463750992 ICCGLAJMACGAKX-UHFFFAOYSA-N 309.369 3.166 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N[C@@H](CC1CC1)c1ccccc1 1465221065 RTSVISBXTDZUER-INIZCTEOSA-N 311.381 3.298 10 10 DGCE CN1CCN(C(=O)/C=C/c2cccnc2)c2ccc(Cl)cc21 1534211548 QSJQTEBDEKWPNU-QPJJXVBHSA-N 313.788 3.231 10 10 DGCE CSc1ccc(Cl)c(C(=O)NCc2cc(O)ccc2O)c1 1471661255 VPSWQUIIARXJFV-UHFFFAOYSA-N 323.801 3.403 10 10 DGCE COC(=O)c1cc(OCCCC(C)(F)F)ccc1N(C)C 1614868623 CMUZKHHHJRWBEE-UHFFFAOYSA-N 301.333 3.353 10 10 DGCE COc1cc(Br)cc([C@H](O)Cc2ccc(N)cc2)c1 2136378468 DEXBYFWRVGTMHL-OAHLLOKOSA-N 322.202 3.316 10 10 DGCE COc1ccc(N(C)Cc2nnc(-c3ccccc3O)o2)cc1 1619791611 GETBGDCSGUEXHQ-UHFFFAOYSA-N 311.341 3.087 10 10 DGCE C[C@H](C(=O)NCc1c(O)cccc1O)c1cccc(Cl)c1 1558534906 ZPZNRNIWXMLUHA-JTQLQIEISA-N 305.761 3.171 10 10 DGCE O=C(CCc1cccc(Cl)c1)NCc1cc(O)ccc1O 1643879427 PDGJKTHEYCOPOE-UHFFFAOYSA-N 305.761 3.000 10 10 DGCE Oc1nnc(Cl)cc1N1CC=C(c2ccc(Cl)nc2)CC1 1642512602 AOIZYPZVWRQGCQ-UHFFFAOYSA-N 323.183 3.178 10 10 DGCE C[C@@H]1CCC(F)(F)CN1Cc1ccc(N2CCOCC2)cc1 1656482568 HRLWHBNVMHIREN-CQSZACIVSA-N 310.388 3.143 10 10 DGCE CC(C)(C)OC(=O)N[C@]1([C@H](N)c2ccccc2O)CC1(C)C 1960477594 RLLYYNKSOAJNPY-DYVFJYSZSA-N 306.406 3.085 10 10 DGCE CCC1(C)CN(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)C1 1673743478 FFJAGTHGSQOLLT-HNNXBMFYSA-N 317.477 3.434 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CCCN2CCCN=[N+]=[N-] 1962299363 MLGSBRGZBLETCF-QWHCGFSZSA-N 309.414 3.161 10 10 DGCE CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CCCN1CCN=[N+]=[N-] 1962301413 VKBIRTXRESMNCI-CYBMUJFWSA-N 311.430 3.264 10 10 DGCE Nc1ccc(CC(=O)Nc2ccc(F)cc2OC(F)F)cc1 161083774 KPJXWAINQFTFDL-UHFFFAOYSA-N 310.275 3.191 10 10 DGCE C[C@@H](Oc1cccc(Cl)c1F)C(=O)Nc1ccc(N)cc1 167089707 PEXGBWAVIYPGLO-SECBINFHSA-N 308.740 3.467 10 10 DGCE CCOC(=O)N1CCC(N=NNc2ccc(C(C)=O)cc2)CC1 1860489153 AFZAVBIUPYOMQV-UHFFFAOYSA-N 318.377 3.289 10 10 DGCE CCN[C@H](c1ccccc1O)C1CC(NC(=O)OC(C)(C)C)C1 1936987393 RMXXGGSOUWAMBJ-ZUEPYMLJSA-N 320.433 3.346 10 10 DGCE C[C@H](O)c1ccc(N2CC3(CSC3)C2)c(Br)c1 1942546220 HOEBLXHOGBFLEA-VIFPVBQESA-N 314.248 3.056 10 10 DGCE Cc1ccc(C(=O)NCc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)cn1 1889919595 MDMRYWKIOGEAQE-LPHOPBHVSA-N 321.424 3.309 10 10 DGCE CCCN[C@H](c1ccccc1O)[C@H](O)c1ncc(Cl)s1 2148161779 HEXTZIGEMVNWQN-OLZOCXBDSA-N 312.822 3.276 10 10 DGCE CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@H](O)c1ccc(N(C)C)cc1 1977957235 COJDRLTZJAIYHT-HZPDHXFCSA-N 322.449 3.335 10 10 DGCE CC(C)(C)OC(=O)NC1(C2CCN(CCN=[N+]=[N-])CC2)CCC1 1982248674 XJBXPNSMDBCYJI-UHFFFAOYSA-N 323.441 3.456 10 10 DGCE C[C@@H]1CC[C@@H]1N(C)c1cc(Br)c(CN)cc1F 1998771870 PZXUJBMVXQOPCP-PELKAZGASA-N 301.203 3.282 10 10 DGCE CN(C)c1ccc([C@@H](N)c2ncsc2Br)cc1 1999507023 FYBWVHKYAUQQTI-SNVBAGLBSA-N 312.236 3.020 10 10 DGCE CS[C@@H]1CCN(c2c(F)cc(CNC(C)C)cc2F)C1 382932107 GCKFMDHPFJUAQD-GFCCVEGCSA-N 300.418 3.405 10 10 DGCE COC(=O)c1cc(C(C)C)nn1[C@@H](C)c1c(O)cccc1F 2069957609 PXCBBSZICQSZGR-JTQLQIEISA-N 306.337 3.247 10 10 DGCE Cc1cc(O)c([C@@H](C)n2ncc(Br)c2O)cc1C 2070460441 DADBEZNVOARZBF-SECBINFHSA-N 311.179 3.283 10 10 DGCE CCc1nn(Cc2c(C)cccc2O)c(C(F)F)c1C(=O)O 2078934225 IZTQEYPPGGAQGN-UHFFFAOYSA-N 310.300 3.144 10 10 DGCE CNCc1ccc(N(C)C[C@]2(OC)CCSC2)c(Cl)c1 2186291119 GMBAQFHWFGBMAN-OAHLLOKOSA-N 314.882 3.018 10 10 DGCE Oc1cccc(Cl)c1CNC[C@@H]1OCC[C@@H]1C(F)(F)F 2240539290 ZBTUWGOJSPUPMZ-CABZTGNLSA-N 309.715 3.103 10 10 DGCE Oc1c(Br)cccc1CN[C@H]1CC2C[C@@H]3C1[C@@H]3C2 2253519320 ICBFWHSETIAFHI-IKJZDPETSA-N 308.219 3.289 10 10 DGCE CN[C@@H](c1ccccc1O)c1ncc(Br)cc1C 2257513225 QEODLNSCYXHRTC-AWEZNQCLSA-N 307.191 3.167 10 10 DGCE COC(=O)C1=C(C)N(CC(C)C)C(=O)C1=Cc1cccs1 2294028458 KUZDXPQUGYJHOJ-UHFFFAOYSA-N 305.399 3.077 10 10 DGCE CSc1ncc(CNc2ccc(C(=O)O)c(F)c2F)s1 2284503685 FRVXFTCIAHTZBY-UHFFFAOYSA-N 316.354 3.454 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)N1CCC[C@H]1C1CCCC1 2307986596 KWOWRFDFHDNWRK-HNNXBMFYSA-N 301.386 3.292 10 10 DGCE CCOc1cc(C)ccc1NC(=O)C=Cc1ccc(O)c(O)c1 2307996635 ASZMEHQBIQXLHE-UHFFFAOYSA-N 313.353 3.457 10 10 DGCE NCc1ccc(N2CC[C@@](F)(C(F)F)C2)cc1Br 2315950399 RVQQDHHAOMHBTN-LBPRGKRZSA-N 323.156 3.091 10 10 DGCE COCCN(CCOC)N=Nc1ccc(OC(F)(F)F)cc1 2330245700 ZNWRYTAEHFVFLF-UHFFFAOYSA-N 321.299 3.179 10 10 DGCE Cc1ccc(CN2CCOCC[C@H]2C)c(O)c1Br 2327571590 PYPZVLLZFPJUPV-LLVKDONJSA-N 314.223 3.074 10 10 DGCE CCN(Cc1ccc(C)c(Br)c1O)C[C@@H](C)OC 2327799565 XHNDOGRQQKCVSE-LLVKDONJSA-N 316.239 3.320 10 10 DGCE COc1sc2cccc(I)c2c1O 307343519 LQXAUTUTLXFKNU-UHFFFAOYSA-N 306.124 3.220 10 10 DGCE O=C(O)[C@H]1[C@@H]2CC[C@@H](C2)N1Cc1cc(Cl)cc(Cl)c1O 2357922590 UKUMNJKPAMGKPQ-INNHCVQGSA-N 316.184 3.137 10 10 DGCE Oc1ccc(F)cc1CNCc1ncc(-c2ccccc2)cn1 184443658 MNGANHHGEWJMQM-UHFFFAOYSA-N 309.344 3.278 10 10 DGCE C[C@H]1CCN(C(=O)c2cccc(O)c2O)[C@@H](c2ccco2)C1 187157597 JWBDRVNOCFDWHH-WCQYABFASA-N 301.342 3.304 10 10 DGCE O=C(/C=C/c1cnc2ccccc2n1)N1CCc2c(F)cccc21 183756648 JXZKGGWFRQWHMM-CMDGGOBGSA-N 319.339 3.371 10 10 DGCE CN(Cc1ccccc1O)C(=O)c1ccc2c(c1O)CCCC2 183219901 RHLMUODCJQZCSN-UHFFFAOYSA-N 311.381 3.249 10 10 DGCE C[C@@H]1SCCN(c2ccc(CN)cc2Br)[C@H]1C 132160657 NXNLSPDBCQGNHB-UWVGGRQHSA-N 315.280 3.238 10 10 DGCE COc1cc(Cl)cc(CN[C@@]2(CO)CCC[C@@H](C)C2)c1O 229051713 QIRTVHPCKQLUMD-BZNIZROVSA-N 313.825 3.085 10 10 DGCE CN(Cc1ccccc1O)C(=O)CCc1ccc(F)c(F)c1 80133692 OPNLRZBFRUEITD-UHFFFAOYSA-N 305.324 3.262 10 10 DGCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 245642183 ANKLZPFJQRYAFO-HRCADAONSA-N 317.429 3.363 10 10 DGCE Nc1ccc(N(C(=O)Nc2cccnn2)c2ccccc2)cc1 243499448 NUOWJBPCNLLLHC-UHFFFAOYSA-N 305.341 3.429 10 10 DGCE C[C@H](N[C@@H]1c2ccccc2C[C@H]1O)c1cc(Cl)ccc1O 248526652 VDCSXADDZVQGKQ-LZVXQISVSA-N 303.789 3.355 10 10 DGCE C[C@H](NCC[C@@H](C)NC(=O)OC(C)(C)C)c1ccccc1O 183595943 GDMVJPPDWYPCAY-OLZOCXBDSA-N 308.422 3.346 10 10 DGCE CN(C)c1ccc(CN(C(=O)c2cc(F)c[nH]2)C2CC2)cc1 292640333 AWUDFFXAZILVMS-UHFFFAOYSA-N 301.365 3.025 10 10 DGCE Oc1cc(F)c(Cl)cc1CNC1CC(N2CCCCC2)C1 816596229 UCLOQHGHERNGMJ-UHFFFAOYSA-N 312.816 3.291 10 10 DGCE CCN(CC)c1ccc(CN[C@H]2CO[C@@H](C3CC3)C2)cc1F 825261062 XDVQRWLPLYAKKC-CRAIPNDOSA-N 306.425 3.329 10 10 DGCE Oc1c(Br)cccc1CNC1CC(CF)(CF)C1 825710536 SIVKRSBMRYVSPY-UHFFFAOYSA-N 320.177 3.332 10 10 DGCE O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CC[C@@H]2C[C@@H]2C1 825722350 XNSDDANZDLRLKZ-BRWVUGGUSA-N 313.445 3.275 10 10 DGCE Cc1cccc(CN2C[C@H](C)O[C@@H](CC(F)(F)F)C2)c1O 827786747 LKMPLEFQFWTQSZ-AAEUAGOBSA-N 303.324 3.242 10 10 DGCE O=C1C[C@H](c2cccc(N[C@@H]3CCc4cccc(O)c43)c2)CN1 834755383 FVTXGVFFDDIFDA-GOEBONIOSA-N 308.381 3.095 10 10 DGCE C[C@@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)C1CCCCC1 837589236 XLXPFYSAEMZASM-VPUINMBXSA-N 318.369 3.192 10 10 DGCE CN(C)c1ccc(/C=C/CN(CC(=O)O)Cc2ccccc2)cc1 901569476 OEPWJGLATYGIJP-RMKNXTFCSA-N 324.424 3.353 10 10 DGCE C[C@@H](NCc1cc(Cl)ccc1O)[C@](C)(O)c1ccccc1 846039713 REIIPMROSBTYCO-PXAZEXFGSA-N 305.805 3.431 10 10 DGCE CCOc1cccc(CN[C@H](c2ccccc2F)[C@@H](C)O)c1O 846019161 XWZHYEMRYDFNSU-PXAZEXFGSA-N 319.376 3.142 10 10 DGCE O=C(/C=C\c1cnccn1)N1CC2(CCCC2)c2c(F)cccc21 749151591 SSTMBMIJDOKJRJ-SREVYHEPSA-N 323.371 3.488 10 10 DGCE CCOc1cccc(CN(C)[C@H](CC)C(=O)OC(C)(C)C)c1O 846118864 SJIMMAALKDZJBG-CQSZACIVSA-N 323.433 3.343 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)C3(C)CCCCC3)C2)cc1 855227993 SSRKXJRNFWITHO-HNNXBMFYSA-N 316.445 3.361 10 10 DGCE Fc1cc(CNCCC2CC=CC2)ccc1N1CCOCC1 922733298 MNSSJEIKSNSPBW-UHFFFAOYSA-N 304.409 3.108 10 10 DGCE CCOCCCCCC(=O)NCc1ccc(N2CCCC2)cc1 864863995 USSRPQONHHMWNA-UHFFFAOYSA-N 318.461 3.500 10 10 DGCE CN(C)c1ccc(CN(C)[C@H]2CCN(Cc3ccccc3)C2)cc1 768246618 YULWIIHOJASWKK-NRFANRHFSA-N 323.484 3.459 10 10 DGCE Cc1cc(C(=O)OC[C@H](C)CO)c(C)n1-c1ccc(F)cc1 766660867 JOIZYNMHRIDABE-LLVKDONJSA-N 305.349 3.018 10 10 DGCE CC(C)n1cc([C@H](C)NC(=O)N[C@@H](C)c2ccccc2O)cn1 868244020 QJFVMNZDFQICFU-STQMWFEESA-N 316.405 3.291 10 10 DGCE COC(=O)c1cccc(NNC(=S)Nc2ccccc2C)c1 779727724 PGZOHIFEXNEZPC-UHFFFAOYSA-N 315.398 3.095 10 10 DGCE C[C@H](N)c1ccc(N2CCO[C@@H](C(F)F)CC2)cc1Cl 687572182 MJYCZNOHKQCQEH-TVQRCGJNSA-N 304.768 3.220 10 10 DGCE C[C@H]1[C@H](c2ccccc2)[C@@H]1C(=O)NCc1ccc(N(C)C)cc1 797422889 ZXMWTHUVPLTXBR-GDIGMMSISA-N 308.425 3.419 10 10 DGCE C[C@@H]1C[C@H](CNc2ccc(N)cc2)CN1C(=O)OC(C)(C)C 1959380984 PVZWVVYJTVUEIP-CHWSQXEVSA-N 305.422 3.326 10 10 DGCE Cc1ccnc2ccc(C(=O)NCc3c(O)cccc3F)cc12 1156171191 XNNRZPSGLNIRBB-UHFFFAOYSA-N 310.328 3.318 10 10 DGCE CS[C@H](C)CNCc1ccc(C)c(Br)c1O 1905143049 MUNLNCYCOXAKHM-SECBINFHSA-N 304.253 3.304 10 10 DGCE CN[C@@H](C)c1ccc(N(Cc2ccccc2)C[C@@H](C)O)cc1O 1914606732 BMCFSORYNBQATN-CABCVRRESA-N 314.429 3.060 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCN(CCc2ccc(Br)cn2)C1 1912186698 GCJZVHMVIZKCGC-JTQLQIEISA-N 310.199 3.019 10 10 DGCE O=C(NCc1cc(O)ccc1O)c1coc(C2CCCCC2)n1 1455356215 IAPURCNEDQTWCM-UHFFFAOYSA-N 316.357 3.064 10 10 DGCE O=C(c1cccc(-c2cnco2)c1)N1Cc2cccc(O)c2C1 1455036718 JMENTHNHRSBNNU-UHFFFAOYSA-N 306.321 3.203 10 10 DGCE Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCC[C@@H]1C 1612537679 JUUPNMWRBQMDJO-ZFWWWQNUSA-N 314.433 3.365 10 10 DGCE C[C@H](NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccccc1O 1471194661 NZQUJFOKULDGRV-AWEZNQCLSA-N 321.380 3.128 10 10 DGCE O=C(NCCCCCc1ccc(F)cc1)c1cccc(O)c1O 1617006895 CICHJDRKSCSWFZ-UHFFFAOYSA-N 317.360 3.380 10 10 DGCE O=C(NCc1ccc(O)cc1O)c1cc(-c2ccccc2)ccn1 1638356163 GYDQIAIMZNOTRF-UHFFFAOYSA-N 320.348 3.090 10 10 DGCE Cc1cc(C(=O)NC2CC(=O)C2)c(C)n1-c1ccc(Cl)cc1 1636247499 MLAWPQVFJJTAEX-UHFFFAOYSA-N 316.788 3.209 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)c1nc(C2CC2)cs1 1640924939 XGKVHIWXXRPKDZ-UHFFFAOYSA-N 308.790 3.310 10 10 DGCE COc1ccc(CN[C@@H](C)[C@H](C)NC(=O)CCC2CC2)cc1C 1674647265 NUFZRQOITSVFKK-GJZGRUSLSA-N 318.461 3.177 10 10 DGCE CCN[C@@H]1C(=O)Nc2cc(N3CC=C(C)CC3)c(Cl)cc21 167786570 YEZQXVAPISAMEK-HNNXBMFYSA-N 305.809 3.099 10 10 DGCE CCOc1ccc(O)c(CNc2cccc(-c3nnc[nH]3)c2)c1 168757706 DEPXASNOWBBZFH-UHFFFAOYSA-N 310.357 3.188 10 10 DGCE CC(C)OC(=O)c1cccc(/N=N/N2C[C@H](C)O[C@H](C)C2)c1 1860487286 YRQCUYGHNYNEMB-SDBJCMBSSA-N 305.378 3.360 10 10 DGCE C[C@@H]1CCC[C@@H](C)N1c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-] 33500548 BBMVJHBNZFRRAM-FUDMEFDJSA-N 304.346 3.460 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]2CN(CCCCN=[N+]=[N-])C[C@@H]2C1 1895302098 RERDGVKIUNWGOH-ZIAGYGMSSA-N 323.441 3.266 10 10 DGCE NCc1ccc(N2CCCC[C@H](F)C2)c(Br)c1 1946945204 XNEUSHCYQRSRKV-NSHDSACASA-N 301.203 3.236 10 10 DGCE CN1CCc2cc([C@H](O)[C@H](N)c3ccc(Cl)s3)ccc21 2147648844 JQHKPIBSTQEQOF-CABCVRRESA-N 308.834 3.127 10 10 DGCE COc1cc(Cl)cc(CNC[C@H]2C(F)(F)C23CC3)c1O 1974196950 APPKKLGCGKSDJK-LLVKDONJSA-N 303.736 3.189 10 10 DGCE CC=CC[C@H](NC(=O)OC(C)(C)C)[C@H](N)c1ccccc1O 1974819670 ADBJLQSKUUJKNK-DZGCQCFKSA-N 306.406 3.252 10 10 DGCE C[C@@H]1CN(Cc2ccc(N)cc2)CC[C@@H]1NC(=O)OC(C)(C)C 1977924576 CMOQQNLCNHZRJK-CJNGLKHVSA-N 319.449 3.004 10 10 DGCE CN1CCCc2cc([C@H](O)CCNC(=O)OC(C)(C)C)ccc21 1977934987 NALFVVQXLQQCGF-MRXNPFEDSA-N 320.433 3.017 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@](N)(c2ccccc2O)C12CC2 1988892910 JFTZRGCCWHDQTO-SFHVURJKSA-N 318.417 3.110 10 10 DGCE C[C@H](N)c1cc(F)c(N(Cc2ccccc2)[C@@H](C)CO)c(F)c1 1990440674 TUMLQWDAMOOCBC-STQMWFEESA-N 320.383 3.372 10 10 DGCE Oc1cccc(Br)c1CNC[C@H]1C[C@@H]1C(F)F 1997384394 YMUATYVNTGXRAW-SFYZADRCSA-N 306.150 3.146 10 10 DGCE Oc1cccc(Br)c1CN[C@H]1C[C@@H]1C(F)(F)F 1998623491 ZHHBCMZZCHTWQE-CBAPKCEASA-N 310.113 3.195 10 10 DGCE O[C@H]1CCc2cc(N3CCCN(Cc4ccccc4)CC3)ccc21 2012705730 SICNUWHAGYDFJC-NRFANRHFSA-N 322.452 3.379 10 10 DGCE CCN[C@@H](c1cncc(Br)c1)c1ccccc1O 2029557269 AGDGWLWGKVXVLJ-AWEZNQCLSA-N 307.191 3.249 10 10 DGCE NCc1ccc(N2CCC[C@@H](C(F)F)C2)c(Br)c1 2032451507 ZJEWMJACEFWTNB-SNVBAGLBSA-N 319.193 3.389 10 10 DGCE COc1ccc(CNc2cc(C)cnc2Br)c(O)c1 381738732 OOCOGDSZIZABQK-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE Cc1cc(O)n2ncc(C(=O)N(C)c3ccc(C(C)C)cc3)c2n1 2064581816 APTXZDHZKFUFGD-UHFFFAOYSA-N 324.384 3.143 10 10 DGCE CCc1cccc(CN[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c1O 1308979149 LVVJLEUMQXMKHY-SHTZXODSSA-N 320.433 3.100 10 10 DGCE Nc1ccc(OC[C@@H](O)c2cccc(Br)c2)cc1 2050530933 RJDVXEWCTPYAIF-CQSZACIVSA-N 308.175 3.144 10 10 DGCE CC1=C(Br)CCN(CCOc2ccc(N)cc2)C1 2077214582 RRFBAPAIVUTYPX-UHFFFAOYSA-N 311.223 3.022 10 10 DGCE Cc1ccc(O)c(CNCc2nc(C)ccc2Br)c1 2112736598 OIIHDLDATVHOSX-UHFFFAOYSA-N 321.218 3.456 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@@H]1NC(=O)c1ccccc1Br 2218740966 APEWCEVDQGAVOB-QWRGUYRKSA-N 309.167 3.410 10 10 DGCE CN(c1ccc(CN)c(Br)c1F)[C@H]1C[C@@H]2C[C@@H]2C1 2222654192 GQYWDIBUIUKFMT-JGPRNRPPSA-N 313.214 3.282 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@H]1NC(=O)Cc1cccc(Br)c1 2225798624 HJVYOUBYLGNSQO-NEPJUHHUSA-N 323.194 3.339 10 10 DGCE Oc1cccc(Br)c1CN=c1[nH][nH]c2ccccc12 2278868320 XMUMUTYYMMAAFV-UHFFFAOYSA-N 318.174 3.065 10 10 DGCE CCN=c1[nH]c(NCc2cnc(SC)s2)c(F)cc1F 2284715803 XJCKSPRDHYPPBA-UHFFFAOYSA-N 316.402 3.004 10 10 DGCE Cc1cncc(C=CC(=O)N(CC(F)(F)F)c2ccccn2)c1 2302364702 HCCUEDOXOCPUCH-UHFFFAOYSA-N 321.302 3.394 10 10 DGCE Cc1ncsc1C=CC(=O)N(C)c1cccc([N+](=O)[O-])c1 2310107118 HFODLCLBRUCRMZ-UHFFFAOYSA-N 303.343 3.036 10 10 DGCE CCCN1C(=O)C(=Cc2ccc([N+](=O)[O-])s2)SC1=S 2323693627 KHPNYFIZDLEOGP-UHFFFAOYSA-N 314.413 3.268 10 10 DGCE O=C(O)[C@]1(Sc2nccs2)CCC[C@@H]2CSC[C@@H]21 2326903463 JHWWZYXTBUUHCO-PTRXPTGYSA-N 301.458 3.222 10 10 DGCE Cc1cc(N(C)Cc2ccc(C)c(Br)c2O)n(C)n1 2352623798 IRMWLHRIMKQYQK-UHFFFAOYSA-N 324.222 3.141 10 10 DGCE Cc1ccc(CNC(=O)C[C@@H]2C=CCC2)c(O)c1Br 2352645297 IDIBDGKVRKJHAM-LLVKDONJSA-N 324.218 3.436 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)C(=O)Nc1ccc2[nH]ccc2c1 170024175 OPLFIXWOBYHEEZ-LLVKDONJSA-N 310.353 3.396 10 10 DGCE C[C@H](N[C@H](C)CN(C)Cc1ccccc1)c1c(O)cccc1O 309932194 ZOKBZKXSUOWYOG-CABCVRRESA-N 314.429 3.269 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)N1CCC2(CCCCC2)C1 180816495 YVHFMFQEKOYVEV-FNORWQNLSA-N 301.386 3.294 10 10 DGCE COCCNCc1ccc(N2CCS[C@@H](C)[C@@H]2C)c(C)c1 133287118 DMOWFWXSMQROTB-GJZGRUSLSA-N 308.491 3.061 10 10 DGCE COc1ccc2c(c1)N(C(=O)/C=C/c1cncc(C)c1)C[C@@H](C)O2 131242246 LWZDJAGUYKLCML-BTKRWWFXSA-N 324.380 3.226 10 10 DGCE CC[C@H](N[C@@H]1CCO[C@@]2(CCSC2)C1)c1ccccc1O 248562559 NNRFVIFKOUESMJ-KMFMINBZSA-N 307.459 3.488 10 10 DGCE CCCOc1ccc(/C=C\C(=O)NCCc2ccc(N)cc2)cc1 255493729 MTJNZULDOZCXJK-GHXNOFRVSA-N 324.424 3.430 10 10 DGCE CN[C@H]1C(=O)Nc2cc(N3CCCCC[C@H]3C)c(Cl)cc21 252593344 FSPSLDXNZFWEHI-MEBBXXQBSA-N 307.825 3.322 10 10 DGCE Oc1cc(OCc2ccccc2)ccc1CN[C@H]1CCCOC1 290095662 HKIHIRISBAKXFT-KRWDZBQOSA-N 313.397 3.240 10 10 DGCE Oc1cc(F)c(Cl)cc1CNc1cnn(CC(F)F)c1 294245324 NCBCBMDOHJFVSH-UHFFFAOYSA-N 305.687 3.258 10 10 DGCE CCN(Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(OC)cc1 815066745 XMONXUKCHTYWNU-UHFFFAOYSA-N 302.330 3.336 10 10 DGCE CO[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)C1CCC1 824261621 HPFKPEIVHXFDGV-GOSISDBHSA-N 316.445 3.108 10 10 DGCE COc1ccc(O)c(CN[C@H](c2ccccc2)[C@H](O)C(C)C)c1 827525610 BIZFDDMMESFDAA-RTBURBONSA-N 315.413 3.249 10 10 DGCE NC(=O)[C@H]1CCC[C@@H](NCc2cc(-c3ccccc3)ccc2O)C1 738439836 OIKGEIWRGVGGSJ-FUHWJXTLSA-N 324.424 3.193 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 739026457 RUIXOUNNKQVTPL-XYJFISCASA-N 315.461 3.473 10 10 DGCE O=C(O)C[C@@H](NCc1cc(F)cc(F)c1O)C1CCCCC1 904027112 VMUXTNRXRGNUIR-CQSZACIVSA-N 313.344 3.184 10 10 DGCE CN(C)c1ccc(CNC(=O)C2(C3CCC3)CCC2)cc1F 836532812 PQYUJHYNWGWTKL-UHFFFAOYSA-N 304.409 3.478 10 10 DGCE CC(C)N1CCC(NC/C=C\c2ccc(N(C)C)cc2)CC1 835037182 SYVRWCBZWWEATL-WAYWQWQTSA-N 301.478 3.228 10 10 DGCE CCOc1ccc(O)c(CN[C@@H](c2cnn(C)c2)C(C)(C)C)c1 748246859 QHBHWZDGLJCSDB-KRWDZBQOSA-N 317.433 3.401 10 10 DGCE Cc1cc(Cl)cc(CN2CCC([C@@H]3CCCN3)CC2)c1O 843044190 AAIDTKXVHYXBJM-INIZCTEOSA-N 308.853 3.318 10 10 DGCE Cc1cc(O)c(CN[C@H](C)c2nnc3ccccn23)c(Cl)c1 840871396 DZZINOOFJFQRSW-LLVKDONJSA-N 316.792 3.248 10 10 DGCE COC(=O)c1cccc2c1CN(Cc1cccc(C)c1O)CC2 843430004 LJSZGSWFDBJGAG-UHFFFAOYSA-N 311.381 3.046 10 10 DGCE COc1cc(CN[C@@H]2CO[C@@H](C3CC3)C2)c(O)c(C(C)(C)C)c1 858297139 BEYQVJAXRKUKCF-WMLDXEAASA-N 319.445 3.355 10 10 DGCE COc1ccc(N2CC[C@H](Nc3nnc(C(C)C)s3)C2)cc1 853759121 PLLZWCRLYRMIMR-LBPRGKRZSA-N 318.446 3.361 10 10 DGCE C[C@H](O)[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccccc1 850419493 FTIIERRDEIXJNE-SCLBCKFNSA-N 302.393 3.103 10 10 DGCE COc1cccc([C@@H](C)NCc2c(C3CCC3)cnn2C)c1O 850552422 WTHOJPAKRGQDBY-GFCCVEGCSA-N 315.417 3.253 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)[C@H]1CC[C@@H](OC)C1 854374869 ZNTSDHKCQLLJEM-GOEBONIOSA-N 305.418 3.336 10 10 DGCE O=C1CCN1CN1CCCc2cc(OCc3ccccc3)ccc21 857233927 KYDZCQYJIYSWNA-UHFFFAOYSA-N 322.408 3.208 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@@H]2CCC[C@H]([S@](C)=O)C2)cc1 850354956 DVZCHFPCOJCGSH-QAGUDHLNSA-N 320.502 3.045 10 10 DGCE CCc1nc(CN[C@@H]2CCN(c3ccc(OC)cc3)C2)cs1 850345633 GSDHNGQNJACNPI-CYBMUJFWSA-N 317.458 3.083 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)c1ccns1 858961964 JHJYOKVKFJTQJR-GFCCVEGCSA-N 318.446 3.078 10 10 DGCE C[C@H](N[C@H]1C[C@@H](C)O[C@@H]1C)c1ccc(Br)cc1O 866442872 DQTCZHNDINHJKY-COMAGPEQSA-N 314.223 3.371 10 10 DGCE CC[C@H](C(=O)N1Cc2cccc(O)c2C1)c1ccc(OC)cc1 871204354 YQOOWOWYFPRUHK-INIZCTEOSA-N 311.381 3.437 10 10 DGCE CC(C)(C)OC1CC(CC(=O)N2Cc3cccc(O)c3C2)C1 871204700 PKGCCBZTHHOVHQ-UHFFFAOYSA-N 303.402 3.218 10 10 DGCE CCOc1ccc(CN2CC[C@H](C)[C@H](n3ccnc3)C2)c(O)c1 770319683 AMDIVHWPQDWJTC-WMLDXEAASA-N 315.417 3.071 10 10 DGCE Cc1cc(Br)c(O)c(CNCCOC2CCC2)c1 781631384 IWSUCCAPVFSKHS-UHFFFAOYSA-N 314.223 3.122 10 10 DGCE COc1cc(Cl)cc(CN[C@@H]2CC[C@@H](C)SC2)c1O 689560641 CQKFVMXMUCTYOD-BXKDBHETSA-N 301.839 3.428 10 10 DGCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H]2CC[C@@H]2C)c1 1157137994 VSVQOOXXTRQMOA-KPZWWZAWSA-N 310.397 3.435 10 10 DGCE CSc1ccc(C)c(C(=O)NCc2cccc(O)c2O)c1 1153791802 KRHFEKNJIDUVJJ-UHFFFAOYSA-N 303.383 3.058 10 10 DGCE C[C@H](NC(=O)N[C@@H]1CC=CC[C@H]1C)c1ccc(N(C)C)cc1 1312534693 GTKQJSSWFRIPKO-JKIFEVAISA-N 301.434 3.468 10 10 DGCE O=C(NCc1c(O)cccc1F)NCC1CCC2(CC1)CC2 1313095341 WGGQXGINAATYJB-UHFFFAOYSA-N 306.381 3.301 10 10 DGCE CC[C@@H](C)[C@H](OC)C(=O)NCc1c(O)ccc2ccccc12 1179033578 YWDIZSDARCZRCZ-PXAZEXFGSA-N 301.386 3.223 10 10 DGCE CNCc1ccc(N2CC[C@@H](P(C)(C)=O)C2)cc1Cl 2125222531 HVGMODNDMWSXIO-CYBMUJFWSA-N 300.770 3.261 10 10 DGCE CC[C@@H](O)CN(Cc1ccccc1)c1ccc(CN)cc1F 1915379008 RHOZSQVSFAVMDL-MRXNPFEDSA-N 302.393 3.062 10 10 DGCE COc1ccc(CNC2(CNC(=O)C=C(C)C)CCC2)cc1C 1484622713 BSFHVSLVKMXPFE-UHFFFAOYSA-N 316.445 3.098 10 10 DGCE Cc1ccc(O)c(CNC(=O)NC[C@H]2C[C@H]3C=C[C@H]2CC3)c1 1636301341 YYUCOOPTBNVZEU-SOUVJXGZSA-N 300.402 3.102 10 10 DGCE CC(C)Cc1ncc(C(=O)NCc2c(O)cccc2F)s1 1645051182 ZGQFNLNWYUAJAR-UHFFFAOYSA-N 308.378 3.116 10 10 DGCE O=C(NCc1cc(O)ccc1O)[C@@H]1C[C@]12CCCc1ccccc12 1644754026 OIAUGLWDCTVLOT-PXNSSMCTSA-N 323.392 3.008 10 10 DGCE Cc1cccn2c(NC(=O)c3ccc(N=NC(N)=O)cc3)cnc12 1645404170 MROVBWDVRMICMI-UHFFFAOYSA-N 322.328 3.057 10 10 DGCE COc1ccc(N2CCN(CC3CC(C)(C)C3)CC2)c(OC)c1 1648087700 QQKUQPRFAXQUQH-UHFFFAOYSA-N 318.461 3.262 10 10 DGCE C/C(=C/c1ccc(Cl)cc1)C(=O)NCc1cccc(O)c1O 1644710826 KOJPRBQQBDOQDI-LUAWRHEFSA-N 317.772 3.471 10 10 DGCE CC(C)O[C@@H]1C[C@H](NC(=O)N[C@H](C)c2ccccc2O)C1(C)C 1681359722 SRCZIGICWKOSAW-UHOFOFEASA-N 320.433 3.345 10 10 DGCE O=C(C(=O)C(O)(c1ccccc1)c1ccccc1)c1ccccc1 15778488 FBLHDFBSQWVSLV-UHFFFAOYSA-N 316.356 3.375 10 10 DGCE CO[C@]1(CNCc2c(O)cccc2Cl)CCCSC1 1879922468 VWCQFWDTJUVHEZ-AWEZNQCLSA-N 301.839 3.047 10 10 DGCE COCc1ocnc1CNCc1cc(Cl)cc(Cl)c1O 1974075703 ZAODBXBTBPYRHT-UHFFFAOYSA-N 317.172 3.123 10 10 DGCE CC(C)(C)OC(=O)N1CCCC[C@@H]2[C@@H](Nc3ccccc3N)[C@@H]21 1977667178 WRRLWWBQMBHNMG-DAXOMENPSA-N 317.433 3.469 10 10 DGCE CCN(CC)c1ccc([C@H](N)[C@@H](C)NC(=O)OC(C)(C)C)cc1 1977940827 GVWVKTAVOAXDHD-CZUORRHYSA-N 321.465 3.446 10 10 DGCE Cc1ccc(C=C2SC(=S)NC2=O)cc1Br 2305640926 YZGDKPWWXYDCAY-UHFFFAOYSA-N 314.229 3.246 10 10 DGCE C[C@@H](c1ccc(F)cc1O)n1nc(C2CCC2)cc1C(=O)O 2069856271 MBKSVNRXSJFRKX-VIFPVBQESA-N 304.321 3.303 10 10 DGCE NCc1cc(C2CCCCC2)nn1Cc1c(O)cccc1F 2070086879 LMDZQIMHZYWSGT-UHFFFAOYSA-N 303.381 3.283 10 10 DGCE Cc1nn(Cc2cccc(F)c2O)cc1C(=O)OC(C)(C)C 2070251307 FLZWHELBIUDTFV-UHFFFAOYSA-N 306.337 3.040 10 10 DGCE Oc1ccc(F)cc1Cn1nc(C2CC2)c(O)c1C(F)(F)F 2079110014 WQDOGMXNONLBLB-UHFFFAOYSA-N 316.254 3.378 10 10 DGCE Cc1nn(Cc2c(O)cccc2F)c(C(F)(F)F)c1[N+](=O)[O-] 2079214710 NCWQHJUIZTVWIO-UHFFFAOYSA-N 319.214 3.012 10 10 DGCE C[C@@H]1[C@@H](NCc2cc(Cl)cc(Cl)c2O)C2CCN1CC2 2192787467 KPDRBXLEXSVFEK-YMTOWFKASA-N 315.244 3.271 10 10 DGCE C[C@@]1(P(C)(C)=O)CCCN1c1c(F)cc(CO)cc1F 2181641180 NUWAZYZEEVVYID-CQSZACIVSA-N 303.289 3.396 10 10 DGCE NCc1ccc2c(c1)CCN2Cc1c(Cl)cncc1Cl 2189911886 AUECPYJXKUDNLR-UHFFFAOYSA-N 308.212 3.410 10 10 DGCE C[C@H](Nc1cc(=N)[nH]cc1Br)c1ccccc1O 2072484074 MNMGLCGWBGEFTF-QMMMGPOBSA-N 308.179 3.135 10 10 DGCE CNCc1ccc(OCc2ncccc2Br)c(C)c1 2098794902 VVCGWLSNROZMDD-UHFFFAOYSA-N 321.218 3.451 10 10 DGCE CC[C@@H]1CN(c2ccc(OC)cc2Br)[C@H](C)CN1 2221629818 ZBQPPZVWWUGBLW-GHMZBOCLSA-N 313.239 3.034 10 10 DGCE CC[C@@H](C)NCc1ccc(N2CC(F)C2)c(Br)c1 2223538313 ZNVNYKDYGPZYBO-SNVBAGLBSA-N 315.230 3.495 10 10 DGCE CC(C)(C)OC(=O)N[C@]1(C)CC[C@]1(C)[C@@H](N)c1ccccc1O 2245356732 FONXAYMYNCGPPJ-BMGDILEWSA-N 320.433 3.476 10 10 DGCE CNCc1ccc(N2CC[C@H]3C=C[C@@H]2C3)c(Br)c1 2311397806 MEAWJHIIKKLWBI-DGCLKSJQSA-N 307.235 3.323 10 10 DGCE C[C@H](O)CCCN(C)c1ccc([C@@H](C)O)cc1Br 2314573009 BSGYVIQKTXHAJD-WDEREUQCSA-N 316.239 3.100 10 10 DGCE Oc1cccc(Br)c1CN1CC[C@@](F)(C(F)F)C1 2315877829 MKUPQLAELFOGRX-LBPRGKRZSA-N 324.140 3.334 10 10 DGCE CCOC(=O)[C@H]1CCCN(N=Nc2ccccc2OCC)C1 2330193286 UFKFEQKIBXTWGF-ZDUSSCGKSA-N 305.378 3.359 10 10 DGCE CC=C(C)C(=O)N(C)Cc1ccc(C)c(Br)c1O 2327802466 ZLNYJEMTJGMYIG-UHFFFAOYSA-N 312.207 3.388 10 10 DGCE Oc1ccccc1CN1CCC[C@@H](CN2CCCCCC2)C1 179569341 ZYSXGRYISJEKCD-KRWDZBQOSA-N 302.462 3.480 10 10 DGCE C[C@@H](N[C@@H]1CCN(CC2CCCC2)C1)c1cc(F)ccc1O 185595379 PEYHWRRXXUPDKU-CZUORRHYSA-N 306.425 3.446 10 10 DGCE CN[C@H](C)c1ccc(N2CCCN3CCC[C@@H]3C2)cc1Cl 78927876 DGICEDCLRZZYNB-UKRRQHHQSA-N 307.869 3.295 10 10 DGCE CCc1nc(C2(NCc3cc(F)ccc3O)CCCC2)no1 180598941 MTILFKDYQKWUOC-UHFFFAOYSA-N 305.353 3.036 10 10 DGCE C[C@H](N[C@H](C)c1nnc2n1CCCCC2)c1cc(F)ccc1O 321488821 DPZRPKUYLBOSFK-NWDGAFQWSA-N 318.396 3.261 10 10 DGCE N[C@H](c1cccc(I)c1O)C1CCCC1 95769579 TZDPONLTTQONIL-NSHDSACASA-N 317.170 3.187 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CC[C@H]3C[C@H]3C2)c1 528090555 ZWIPVXDDRMUOEX-RFQIPJPRSA-N 318.417 3.197 10 10 DGCE Cc1ccc(O)c([C@H](C)N[C@H]2CCO[C@@]3(CCSC3)C2)c1 248491867 IXMSDKDPYGHRFX-ZQIUZPCESA-N 307.459 3.406 10 10 DGCE CN1C(=O)/C(=C\c2ccc(N3CCCC3)nc2)c2ccccc21 255080635 YOACRKMQRRWBKK-VBKFSLOCSA-N 305.381 3.199 10 10 DGCE Cc1cc(N2CC=C(c3ccc(Cl)nc3)CC2)nc(C)n1 367358806 PMAFVNKCERQCON-UHFFFAOYSA-N 300.793 3.436 10 10 DGCE Cc1nccn1CCCCNCc1cc(Cl)c(F)cc1O 293640361 NYRPTOQWLNXQIQ-UHFFFAOYSA-N 311.788 3.260 10 10 DGCE Oc1cc(F)c(Cl)cc1CNC1CCN(CC2CC2)CC1 293818867 DBWHXJDWDYXPEA-UHFFFAOYSA-N 312.816 3.149 10 10 DGCE Cc1cc(Cl)cc(CN2C[C@H](N3CCCC3)C[C@@H]2C)c1O 809704167 WEXZOJCVBYYUMK-XJKSGUPXSA-N 308.853 3.413 10 10 DGCE COCC[C@@H](COC)N[C@@H](C)c1ccc(Cl)c(Cl)c1O 810256876 IDXONKDRVZBQQP-UWVGGRQHSA-N 322.232 3.401 10 10 DGCE Cc1cc(Cl)cc(CN2CCN(C3CC3)C[C@@H](C)C2)c1O 824446001 QBVXGYOASRWANM-LBPRGKRZSA-N 308.853 3.270 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCC[C@H](c3cc[nH]n3)C2)cc1 835026122 QALLTNPEDYRDFJ-RCFWFJCLSA-N 310.445 3.369 10 10 DGCE CC(C)(C)OC(=O)N1CCCCC(=O)[C@@H]1c1cccc(N)c1O 1953051390 DVUWSLYNNKJRAY-AWEZNQCLSA-N 320.389 3.006 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCOC[C@@H]2c2ccco2)cc1 835030249 WHSABLZGDCIGSK-YWPBOTNQSA-N 312.413 3.432 10 10 DGCE O=C1CN(Cc2cc3c(cc2O)CCCC3)Cc2ccccc2N1 848497423 NPYLGGJRZXIULH-UHFFFAOYSA-N 322.408 3.225 10 10 DGCE OC[C@]12CC[C@@H]1CN(c1ccc(OCc3ccccc3)cc1)C2 1899864808 LTWCANIYJNCWTQ-YLJYHZDGSA-N 309.409 3.474 10 10 DGCE CCc1cc(NC(=O)NCc2ccc(N(CC)CC)cc2)no1 740463474 NVDPLKKVVPAYFZ-UHFFFAOYSA-N 316.405 3.405 10 10 DGCE COc1cc(CN[C@H]2CCn3ccnc32)c(O)c(C(C)(C)C)c1 850312479 OPHJEGXYZHETDY-HNNXBMFYSA-N 315.417 3.129 10 10 DGCE C[C@@H](N[C@@H](c1cccnc1)C1CC1)c1cc([N+](=O)[O-])ccc1O 756786056 WYSPXGBOCUJRHD-PIGZYNQJSA-N 313.357 3.497 10 10 DGCE C[C@H](NC(=O)N1CC(CC2CC2)C1)c1ccc(N(C)C)cc1 856886658 OYACSSSXRRTKHU-ZDUSSCGKSA-N 301.434 3.255 10 10 DGCE CCN(C)c1ccc(CN2[C@@H](C)C[C@H](C(=O)O)C[C@H]2C)cc1 863476327 AHHOLXQNJPTZPB-MIFYACCESA-N 304.434 3.216 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)N(CC(F)F)CC1CCC1 779539718 KDALKWGHRITOLP-ALCCZGGFSA-N 311.328 3.005 10 10 DGCE O=C(Nc1c(Cl)ccc2nonc12)c1csc(Cl)n1 1128603290 FTEDBFWHARAPDD-UHFFFAOYSA-N 315.141 3.238 10 10 DGCE Cc1cc(Br)c(O)c(CN[C@H]2CCO[C@@H](C)C2)c1 781636933 UWNBZISDQLFEJY-JQWIXIFHSA-N 314.223 3.120 10 10 DGCE Cc1ccc(C(=O)NC[C@H](C)c2ccc(F)cc2F)c(O)c1O 780950927 CNHSSTPBAIEPNE-JTQLQIEISA-N 321.323 3.218 10 10 DGCE COc1ccc(N2CCC(=O)[C@H](C)[C@H]2C)cc1Br 93036015 ZUUFOBUGGYDZHK-NXEZZACHSA-N 312.207 3.262 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N[C@H]2C[C@@H]2Cc2ccccc2)cc1 1147114085 VYNNEUJAHYSWCP-HOCLYGCPSA-N 322.368 3.210 10 10 DGCE CN(Cc1ncc(Br)s1)Cc1ccccc1O 783423393 DORIBGNYXISGQW-UHFFFAOYSA-N 313.220 3.243 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1cccc2c[nH]nc12 1179029215 LTCGBFQXRWHJFN-UHFFFAOYSA-N 317.348 3.352 10 10 DGCE COC1(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)CCCC1 1264286965 FFJJKHUHRJYGAV-UHFFFAOYSA-N 316.445 3.204 10 10 DGCE CC[C@H](C)[C@@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 1289599747 IHLIBVRCCZFOOB-HDMKZQKVSA-N 319.493 3.154 10 10 DGCE O=C(O)C1CCN(/N=N/c2ccc(Br)cc2)CC1 1860485097 RHEMBBMMZHAGQZ-CCEZHUSRSA-N 312.167 3.244 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)Nc1nc2c(s1)CCCCC2 1464646659 GARRMCAHBPUDJY-UHFFFAOYSA-N 318.398 3.004 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)CSC(C)(C)C)cc1 1531375352 UOUAMKUHDBPVHY-UHFFFAOYSA-N 324.490 3.122 10 10 DGCE COc1ccc(CNCCN(C)C(=O)[C@@H](C)C(C)(C)C)cc1C 1714722881 SPDFSGAXFIXACF-OAHLLOKOSA-N 320.477 3.234 10 10 DGCE CC/C=C(\C)C(=O)N[C@H](C)[C@H](C)NCc1ccc(OC)c(C)c1 1485128754 RONGOGVUQIEVKW-CRSTWVDOSA-N 318.461 3.343 10 10 DGCE CN(C[C@H]1CCC[C@@H](C(F)(F)F)O1)c1ccc2c(c1)OCO2 1642299631 ARXSNTWEBRRQRO-RISCZKNCSA-N 317.307 3.352 10 10 DGCE Cc1cc(NC(=O)c2cc(O)cs2)cnc1C(F)(F)F 1647813847 SSESLUYSYGOLCC-UHFFFAOYSA-N 302.277 3.428 10 10 DGCE O=C(NCc1cc(O)ccc1O)c1ccc(F)c2ccccc12 1651225393 HPZFLURKKGPUSQ-UHFFFAOYSA-N 311.312 3.320 10 10 DGCE Oc1c(Cl)cccc1CNc1nccc(C(F)(F)F)n1 1652315992 ZGMTUNXOFXHKFR-UHFFFAOYSA-N 303.671 3.467 10 10 DGCE Nc1ccc(CCNC(=O)c2cnc(-c3ccccc3)s2)cc1 152579248 FHINCGCWEHXDAU-UHFFFAOYSA-N 323.421 3.365 10 10 DGCE CCCOc1ccc(/C=C2/C(=O)N(C)N=C2C)cc1OCC 1865666207 DEIWKRJJMBKTAH-GXDHUFHOSA-N 302.374 3.105 10 10 DGCE CC[C@H](NCCN(OC)C(=O)OC(C)(C)C)c1ccccc1O 1936451952 GEPNOFRYLKLVCS-AWEZNQCLSA-N 324.421 3.231 10 10 DGCE CCc1cccc(NC(=O)CN2CCCc3cc(CN)ccc32)c1 1118260487 BCVRLKUSGBDZDH-UHFFFAOYSA-N 323.440 3.099 10 10 DGCE C[C@H](N)c1ccc(N2C[C@@H](C)[C@@H](F)C2)cc1Br 1947330466 CPQXPWVFSGTQPO-ZDMBXUJBSA-N 301.203 3.263 10 10 DGCE CCN[C@](CSc1nccs1)(C[C@H](C)CC)C(=O)O 2142864878 LTGLICRFZYEYRH-MFKMUULPSA-N 302.465 3.104 10 10 DGCE Oc1c(Br)cccc1CNC[C@H]1C[C@]12CC2(F)F 1876068890 IPSYLVVVCYOOON-SKDRFNHKSA-N 318.161 3.290 10 10 DGCE CN(C)c1ccc(CN[C@]23C[C@H]2CN(Cc2ccccc2)C3)cc1 1950089298 GBUUTMLZSFMTBV-FPOVZHCZSA-N 321.468 3.117 10 10 DGCE C[C@H]1CC[C@H](CCNCc2cc(Br)ccc2O)O1 1967774742 GGNMKHMRGXNAIJ-GXFFZTMASA-N 314.223 3.202 10 10 DGCE Oc1cccc(F)c1CNCc1coc(Br)c1 1997949224 PZKPMUBBIHTOPV-UHFFFAOYSA-N 300.127 3.177 10 10 DGCE C[C@]1(C(F)F)C[C@H]1NCc1ccc(Br)cc1O 2008238039 QCDVHXBLYWILNS-PWSUYJOCSA-N 306.150 3.288 10 10 DGCE C[C@]1(F)C[C@H](NCc2cc(Br)cc(F)c2O)C1 2021442641 LVEOOYOAGGIONL-OTCDBFHCSA-N 306.150 3.274 10 10 DGCE CN(C[C@]1(C)CC1(F)F)c1ccc(CO)c(Br)c1 689345491 KIDWDAKSPZVFOX-LBPRGKRZSA-N 320.177 3.423 10 10 DGCE CCc1cc(C(=O)OC)n([C@@H](C)c2cc(C)c(C)cc2O)n1 2069932358 UCTIIQPELXKOTR-LBPRGKRZSA-N 302.374 3.164 10 10 DGCE COc1ccc([C@@H](C2CC2)n2nc(C)c(CN)c2Cl)c(O)c1 2079970368 QYBCPOHBDDGAAR-OAHLLOKOSA-N 321.808 3.017 10 10 DGCE CC(C)NCc1ccc(N2CCOC[C@@H]2CF)c(Cl)c1 2182599245 MOBSAVFWYIVYDA-ZDUSSCGKSA-N 300.805 3.013 10 10 DGCE Cc1cc(N(C)[C@H]2CS[C@H](C(F)(F)F)C2)ccc1CN 2189452289 AIJGIBVTEGHJEW-OLZOCXBDSA-N 304.381 3.326 10 10 DGCE CNCc1ccc(N(C)C[C@@H]2CC23CC3)cc1Br 2047210192 VSRYYOJMEFMPRZ-LBPRGKRZSA-N 309.251 3.405 10 10 DGCE CNCc1ccc(N(C)CP(C)(C)=O)c(C(F)(F)F)c1 2198578264 VMPUYXKDNAYLGW-UHFFFAOYSA-N 308.284 3.441 10 10 DGCE C[C@@H](O)CN(Cc1ccccc1)c1ccc2c(c1)CCCN2C 2210796988 FSXHCFYTQXQJHK-MRXNPFEDSA-N 310.441 3.456 10 10 DGCE Nc1ccc(CCOCc2nscc2Br)cc1 2214469888 NCSILRUBYKWDFH-UHFFFAOYSA-N 313.220 3.247 10 10 DGCE CC(C)N[C@@](CSc1nccs1)(CC1(C)CC1)C(=O)O 2207942081 PFYMDBQLFYBSKK-CQSZACIVSA-N 314.476 3.247 10 10 DGCE COc1ccc(Br)c(CN(C)[C@H](C)C(F)F)c1O 2220489002 IKRROWKGXACADS-SSDOTTSWSA-N 324.165 3.249 10 10 DGCE C[C@H](N)c1ccc(N2CC[C@@H]3C[C@]3(F)C2)c(Br)c1 2222709157 SGQKYWZAJFQRAX-PXWWUCIGSA-N 313.214 3.407 10 10 DGCE C[C@@H]1C[C@@H](C[C@@H](N)c2ccccc2O)CN1C(=O)OC(C)(C)C 2244087147 CPRHTRXKGIRJKZ-VNHYZAJKSA-N 320.433 3.428 10 10 DGCE Cc1ccc(O)c(CNC[C@@H]2CC[C@H]2NC(=O)OC(C)(C)C)c1 2244704875 WPEPNPZDSHNUAH-DZGCQCFKSA-N 320.433 3.094 10 10 DGCE C[C@H]1CN(C(=O)C=Cc2cncc(F)c2)c2ccc(F)cc2O1 2297666874 PQFXSKJCVJFPDK-NSHDSACASA-N 316.307 3.187 10 10 DGCE CCOC(=O)N1CCN(N=Nc2ccc(Cl)cc2C)CC1 2318775970 RABKWSDZTQOJPU-UHFFFAOYSA-N 310.785 3.421 10 10 DGCE CC1=CN2C(=N)/C(=C\c3c[nH]c4ccccc34)C(=O)N=C2S1 103571715 ZXNZNMBCXWERQM-KOVMNVBLSA-N 308.366 3.335 10 10 DGCE CN(C(=O)c1sccc1Br)c1ccc(N)cc1 104292599 BIEOKYXCXIBMNV-UHFFFAOYSA-N 311.204 3.369 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@H]2CCCC[C@@H]2n2cccn2)c1 185627966 DRIIXEFLHLYROU-JQFCIGGWSA-N 315.417 3.432 10 10 DGCE O=C(Cc1ccccc1)N1CCc2cc(N3CCCC3)ccc21 41121305 ZHWOCCYEFUXHMC-UHFFFAOYSA-N 306.409 3.419 10 10 DGCE C[C@H](N[C@H]1CCCn2ncnc21)c1cc2c(cc1O)CCCC2 185663035 TVAMKFBXOPUEOC-LRDDRELGSA-N 312.417 3.048 10 10 DGCE Cc1ccc(O)c(CN[C@H](CNC(=O)OC(C)(C)C)C(C)C)c1 227773632 RWXYKOWDSZLUCQ-OAHLLOKOSA-N 322.449 3.340 10 10 DGCE COc1ccc(O)c(CN[C@@H](C)c2cnn(C(C)C)c2C)c1 191366578 GKPIJJRGNFLFHA-LBPRGKRZSA-N 303.406 3.337 10 10 DGCE CCOc1cccc(CNc2ccc(N3CCCC3)nc2)c1O 236939600 ANDQGFMNCJEJMV-UHFFFAOYSA-N 313.401 3.398 10 10 DGCE Cc1ccc(O)c([C@@H](C)NC[C@@H](n2cccn2)C(F)(F)F)c1 527941150 XPACMWZVYBNEMK-BXUZGUMPSA-N 313.323 3.351 10 10 DGCE COc1ccc(CCN[C@@H]2C[C@@H](C)c3c(F)ccc(O)c32)cn1 527991448 VPUBLILDMHZTMW-BXUZGUMPSA-N 316.376 3.316 10 10 DGCE COCCC1(C)CN(Cc2cc(Br)ccc2O)C1 297421070 NKJRAMXNFOIEPA-UHFFFAOYSA-N 314.223 3.013 10 10 DGCE CC(=O)C(=O)COC(=O)C[C@@H](Cc1ccccc1)c1ccccc1 808521245 LFNYRRLQLOWRAJ-GOSISDBHSA-N 324.376 3.104 10 10 DGCE COCCn1c(C)c(C)c2cc(C(=O)N3C[C@@H](C)[C@@H]3C)ccc21 293990463 HPDMCMHZHDCINS-OCCSQVGLSA-N 314.429 3.385 10 10 DGCE C[C@H](N[C@@H](C)c1ccccc1O)c1ncc(Br)cn1 805749218 WQGUVPNQGAOWHK-UWVGGRQHSA-N 322.206 3.357 10 10 DGCE C[C@H](N)c1ccc(N(C)Cc2c(Cl)ncn2C)cc1Cl 2168138725 DKENJWWSONMBOR-VIFPVBQESA-N 313.232 3.383 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc2[nH]ccc2c1 808096201 DPWBEIIFPFAMCM-UHFFFAOYSA-N 315.369 3.289 10 10 DGCE COc1cnc(NCc2cc(C)ccc2O)c(Br)c1 806671392 WZWWDTKUMSTQKC-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE COc1cnccc1[C@@H](C)NCc1cc(Cl)c(F)cc1O 816586197 CGFCIAKARDJHDP-SECBINFHSA-N 310.756 3.439 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)C1(C(F)(F)F)CC1 726158137 WVXCJYUFWVCZEO-UHFFFAOYSA-N 300.324 3.054 10 10 DGCE CN(C)c1ccc(/C=C\CNC[C@H](O)c2ccsc2)cc1 835041366 WYWOHIYTPQSETC-LIMHQNJXSA-N 302.443 3.151 10 10 DGCE C[C@@H](CC(F)(F)F)C(=O)NCc1ccc(N2CCCC2)cc1 837342354 SKVGEIXHAJVXPO-LBPRGKRZSA-N 314.351 3.492 10 10 DGCE CN(Cc1ccc(N2CCCCC2)cc1)C[C@]1(C)CCNC1 843059466 MJEKQJDJYMJBLS-LJQANCHMSA-N 301.478 3.108 10 10 DGCE C[C@@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C[C@@H]1C(=O)O 843040134 GRAVLDIXAATMNM-QAPCUYQASA-N 316.445 3.220 10 10 DGCE CC(=O)c1cc(F)cc(CN2CCC[C@@]3(C2)CC3(F)F)c1O 844441334 XHISYANSUHWNQF-HNNXBMFYSA-N 313.319 3.355 10 10 DGCE COc1ccc(N(C)CCN(C)CC[C@H]2CCCCO2)cc1 844401096 KHLXOYBLTRMNEN-GOSISDBHSA-N 306.450 3.022 10 10 DGCE Cc1cc(CN2C[C@@H](C)C(O)[C@H](C)C2)ccc1N1CCCCC1 852499928 CIKJBHVTVCKKCZ-IAGOWNOFSA-N 316.489 3.434 10 10 DGCE C[C@H](NCC1C[C@@H]2C[C@H]2C1)c1ccc(N2CCOCC2)cc1 851897061 OCRDBJLZQMCGFM-BMGDILEWSA-N 300.446 3.220 10 10 DGCE Nc1ccc(CCNC(=O)C[C@@]23CCCC[C@@H]2C3(F)F)cc1 851632524 RHVYAZJNUWLQNK-HOCLYGCPSA-N 308.372 3.143 10 10 DGCE CO[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)C1CCC1 854474331 KARCQOIRJJUPMW-CYBMUJFWSA-N 318.200 3.130 10 10 DGCE CC[C@H](NCC12CC(CN1)C2)c1ccc(Cl)c(Cl)c1O 854226603 IRGYEZJHQPZSRT-RHJSQNMRSA-N 315.244 3.492 10 10 DGCE Oc1ccc(-c2ccccc2)cc1CN1CCN(C2CC2)CC1 768244440 LNPYCIUPUZBEMQ-UHFFFAOYSA-N 308.425 3.339 10 10 DGCE CN(C)c1ccc(CNCC[C@@H]2COc3ccccc3O2)cc1 765266041 LVNDODDINLHUTC-QGZVFWFLSA-N 312.413 3.072 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)CC2CSC2)cc1 864636334 GJTNFBPIOQCTHY-UHFFFAOYSA-N 306.475 3.244 10 10 DGCE COc1cccc2c1OCCC[C@@H]2NC(=O)c1cc(O)cs1 882260364 GEQCPOJQTVJPKL-LBPRGKRZSA-N 319.382 3.106 10 10 DGCE CCCOc1ccc(N2CC[C@@H](CNCCCOCC)C2)cc1 76371053 QJRYHCHRWDAABB-KRWDZBQOSA-N 320.477 3.318 10 10 DGCE CCCn1nc(Br)cc1NCc1ccccc1O 2219696923 VVMVYNIKHXKCJR-UHFFFAOYSA-N 310.195 3.373 10 10 DGCE COC(C)(C)CC(=O)N(C)Cc1ccc(N2CCCC2)cc1 1264287244 PBODXBCTKKTALL-UHFFFAOYSA-N 304.434 3.060 10 10 DGCE CO[C@@H]1C[C@H](CF)N(Cc2cc(Cl)cc(Cl)c2O)C1 2133721561 CZJZWAVHZROUPL-GHMZBOCLSA-N 308.180 3.258 10 10 DGCE [N-]=[N+]=NCC1CCN(C(=O)CC(F)(F)C(F)(F)F)CC1 1912178555 NNZORHCNCKFOJO-UHFFFAOYSA-N 300.231 3.123 10 10 DGCE Cc1ncccc1/C=C\C(=O)N(CC(F)(F)F)c1ccccn1 1518363018 WRSIHKUVBREMNC-FPLPWBNLSA-N 321.302 3.394 10 10 DGCE COCC(C)(C)N(Cc1ccccc1)Cc1cc(N)ccc1O 1915435932 IRKHMRHYOGARJI-UHFFFAOYSA-N 314.429 3.402 10 10 DGCE C/C(=C/C(=O)N(C)c1cccc2cccnc12)c1cnccn1 1524324053 HUFCUVAPVZAVCX-QBFSEMIESA-N 304.353 3.091 10 10 DGCE C[C@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)[C@H](C)C(C)(C)C 1633817797 BAIZIOLPABGBRV-AGIUHOORSA-N 307.434 3.463 10 10 DGCE COc1ccc(CN[C@@H](C)CNC(=O)C(C)(C)C(C)C)cc1C 1491471428 WNJMBUANTUEUCZ-HNNXBMFYSA-N 320.477 3.280 10 10 DGCE C[C@@H]1[C@H]([C@H](N)c2ccccc2O)CCN1C(=O)OC(C)(C)C 1928479859 AGXPYJUFUNREHG-JMSVASOKSA-N 306.406 3.038 10 10 DGCE C[C@@H](CC[C@H](N)c1ccccc1O)CNC(=O)OC(C)(C)C 1928463896 AEFBXGILUPNUIK-JSGCOSHPSA-N 308.422 3.333 10 10 DGCE CCOc1cc(N[C@@H](C)c2ccc(N(C)C)cc2)nc(C)n1 1651763645 NJRWZGNDVVOEKO-LBPRGKRZSA-N 300.406 3.423 10 10 DGCE Cc1ccc(C(=O)Nc2cc(F)c(O)cc2Cl)c(O)c1O 1653076327 HPGWYHGISGGLDR-UHFFFAOYSA-N 311.696 3.157 10 10 DGCE CCC(CC)C(=O)N[C@H]1C[C@@H](NCc2ccc(OC)c(C)c2)C1 1661568758 HCZQRBYSJWBUPY-CALCHBBNSA-N 318.461 3.177 10 10 DGCE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@@H](C)N1CCCN=[N+]=[N-] 1962302930 DIUPSRAADJKSJO-YNEHKIRRSA-N 311.430 3.405 10 10 DGCE CN(CCCCN=[N+]=[N-])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1962298684 GZIKYFWHSAKQDH-ZDUSSCGKSA-N 311.430 3.408 10 10 DGCE COc1ccc2[nH]c(=Nc3ccc([N+](=O)[O-])cc3O)sc2c1 1859857657 CMQGVUHHMPUIJM-UHFFFAOYSA-N 317.326 3.084 10 10 DGCE CCN1N=C(c2ccccc2)/C(=C/c2cc(C)ccc2O)C1=O 1865665837 NZJCRIWVZUZBSK-VBKFSLOCSA-N 306.365 3.350 10 10 DGCE Nc1ccc(O[C@H]2CC[C@H]3C[C@H]2CN3CC(F)(F)F)cc1 259591046 PNRFMXAMLAHIFJ-JKOKRWQUSA-N 300.324 3.063 10 10 DGCE C[C@H](NCc1ccc(O)c(O)c1)c1cnn(Cc2ccccc2)c1 1942381170 HTWFMVPKFCCHLC-AWEZNQCLSA-N 323.396 3.193 10 10 DGCE COc1ccc(Br)c(CN[C@@H]2CC[C@H]3C[C@H]32)c1O 1964075778 COBPCAINTYEIBA-YGOYTEALSA-N 312.207 3.051 10 10 DGCE COC1CC2(C1)C[C@H]2NCc1cc(Cl)cc(Cl)c1O 1967821462 ATPNIMLIVWHULZ-KSGYAGIASA-N 302.201 3.356 10 10 DGCE CCC1(CNc2ccc(N)cc2)CN(C(=O)OC(C)(C)C)C1 1974996298 JFSXSRGKAOECHC-UHFFFAOYSA-N 305.422 3.328 10 10 DGCE CC(C)NCc1ccc(N(C)Cc2csnn2)c(Cl)c1 2150305419 OLALLZNHEJXRME-UHFFFAOYSA-N 310.854 3.326 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](Nc3ccc(N)cc3)C[C@H]2C1 1977662413 IWRNJPJUYFYYHJ-YWVIFJGQSA-N 317.433 3.326 10 10 DGCE CC(C)(CO)N(Cc1ccccc1)c1ccc2c(c1)CC[C@@H]2O 1986603198 SKKLIVIUSDXLFY-IBGZPJMESA-N 311.425 3.444 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C1)[C@@H]2CNc1ccc(N)cc1 1994106521 PGKHBAJPTMKVCW-OAGGEKHMSA-N 317.433 3.184 10 10 DGCE COCCN(c1ccc([C@H](C)N)c(Cl)c1)[C@H]1CCSC1 2170140857 PLEHHRQTCPRNNO-AAEUAGOBSA-N 314.882 3.318 10 10 DGCE CN(Cc1c(O)cccc1Cl)C[C@@H]1COCCC1(F)F 2166667025 QZJHRDMTRYMAEB-SNVBAGLBSA-N 305.752 3.149 10 10 DGCE COc1cccc(O)c1[C@H](C)n1nc(C(C)C)cc1C(=O)O 2070004042 PRSUWGMBINQYFB-JTQLQIEISA-N 304.346 3.028 10 10 DGCE CCC[C@H]1C[C@H](NCc2cccc(Br)c2O)CO1 2065790785 KDXPHXCNYAISSO-RYUDHWBXSA-N 314.223 3.202 10 10 DGCE NCCc1cnc(Sc2ccc(C(F)(F)F)cn2)s1 2099138406 QQAXBSKODIXRGX-UHFFFAOYSA-N 305.350 3.209 10 10 DGCE COc1cc(Cl)cc(CNC[C@@H](SC)C2CC2)c1O 2224603878 RWVSNTWCKFNKFF-CYBMUJFWSA-N 301.839 3.285 10 10 DGCE C[C@@](NCCN=[N+]=[N-])(C(=O)O)c1cc(Cl)cc(Cl)c1 2229558076 BFFSSKHSXAGWEA-NSHDSACASA-N 303.149 3.193 10 10 DGCE CN1CCc2cc([C@H](N)c3cocc3Br)ccc21 2258125835 AVEGJHCAYHNCHK-AWEZNQCLSA-N 307.191 3.083 10 10 DGCE C[C@@H](c1ccccc1)[C@@H](C)NC(=O)C=Cc1ccc(O)c(O)c1 2307989952 NTXSPAHZFBFRGY-ZIAGYGMSSA-N 311.381 3.419 10 10 DGCE CO[C@@H]1CCC[C@@H]1NCc1ccc(C)c(Br)c1O 2327620237 BCLGUILZQMROQL-NWDGAFQWSA-N 314.223 3.120 10 10 DGCE COc1cc(C(=O)N2CCC(N=[N+]=[N-])CC2)sc1Cl 2340260754 ADUPJOGQJKPBAR-UHFFFAOYSA-N 300.771 3.325 10 10 DGCE Cc1ccc(NC(=O)[C@@H](C)Sc2nccs2)cc1[N+](=O)[O-] 52914311 QPDPAGDEOZSOEK-SECBINFHSA-N 323.399 3.479 10 10 DGCE COc1ccc([C@@H](NCCSC)c2ccccc2)c(O)c1 69427482 KUCTXXPULUPBCC-KRWDZBQOSA-N 303.427 3.443 10 10 DGCE CC(=O)N(C(=O)N/C=C/c1cccc(F)c1)c1ccc(N)cc1 217965391 HDGBMJANACCYHO-MDZDMXLPSA-N 313.332 3.141 10 10 DGCE CC[C@@H](CSC)N(C)c1ccc(CNCCOC)c(C)c1 124233244 SPIGEZFOTJACOE-INIZCTEOSA-N 310.507 3.309 10 10 DGCE COc1cc(Br)cc(CN(C)CC2CC2)c1O 122889942 ROIINHTZLUZQBK-UHFFFAOYSA-N 300.196 3.005 10 10 DGCE COc1ccc(OC)c(CCN[C@H](C)c2ccccc2O)c1 183459418 FJDMMSXFNYTMEX-CYBMUJFWSA-N 301.386 3.303 10 10 DGCE COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CC34CC4)ccc21 424966412 CPGLPGNMIWPDKD-KRWDZBQOSA-N 312.413 3.187 10 10 DGCE O=C(NCc1cc(Br)ccc1O)[C@H]1CCCC12CC2 529385698 GBCGFDLQWGZHNX-GFCCVEGCSA-N 324.218 3.351 10 10 DGCE CC(C)(C)OC(=O)NCC[C@H]1C[C@H]1COc1ccc(N)cc1 1952755433 QUFOUBZYKDZZBR-STQMWFEESA-N 306.406 3.199 10 10 DGCE NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1O)N2 253572795 QPKZKAAFIFBJDI-SNUQEOBHSA-N 306.365 3.318 10 10 DGCE C[C@@H](NC[C@@H]1CCCN1C)c1cccc(C(F)(F)F)c1O 815565881 CLCKPBDKPBIRTR-MNOVXSKESA-N 302.340 3.156 10 10 DGCE Cc1cc(C(=O)CN2[C@@H](C)C[C@H]2C)c(C)n1-c1ccc(F)cn1 829335279 DWWRWJRUOVTJBN-TXEJJXNPSA-N 315.392 3.294 10 10 DGCE CCOc1ccc(CN2C[C@@H](C)O[C@](C)(C(F)F)C2)c(O)c1 827962068 FKKHQPLMAKTEEG-BZNIZROVSA-N 315.360 3.035 10 10 DGCE Cc1cncc(/C=C\C(=O)N2C[C@H](C)Oc3c(F)cccc32)c1 588512991 YTMXYVKHGONMPU-FWWRYZNZSA-N 312.344 3.356 10 10 DGCE C[C@H](C(=O)NC(C)(C)C)N(C)C/C=C\c1ccc(N(C)C)cc1 835045884 LGXUNBZVHPIBMB-WHLNPGIBSA-N 317.477 3.001 10 10 DGCE CC(C)[C@@H]1CN(C)CCN1C/C=C\c1ccc(N(C)C)cc1 835045568 WKDMWQGBZXBQDL-RURPWVQCSA-N 301.478 3.038 10 10 DGCE COc1cccc([C@H](C)Nc2cc(C)cc(OCCO)c2)c1O 846167231 URZCXOGRGWHAHV-ZDUSSCGKSA-N 317.385 3.253 10 10 DGCE COC[C@H](CC(C)(C)C)NC(=O)NCc1ccc(N(C)C)cc1 847278211 YNGYECDSCGOYOP-HNNXBMFYSA-N 321.465 3.003 10 10 DGCE Cc1cc(O)c(CN[C@H]2CCc3nc(C)ncc3C2)c(Cl)c1 840873418 AZDMYVMGNUBVLF-ZDUSSCGKSA-N 317.820 3.100 10 10 DGCE C[C@@H](NC[C@]1(CO)CCc2ccccc21)c1cc(F)ccc1O 846181533 ZSNPFQUZOGGCIL-YJYMSZOUSA-N 315.388 3.058 10 10 DGCE c1ccc(COc2ccc(N(CC3CC3)C3CNC3)cc2)cc1 1899867470 QHLIOFPAILKMRV-UHFFFAOYSA-N 308.425 3.454 10 10 DGCE CO[C@H](CN[C@@H](C)c1ccc2ccccc2c1O)[C@@H]1CCOC1 850484375 HZLAXCJEBGKTPH-JCKWVBRZSA-N 315.413 3.248 10 10 DGCE CCc1csc(N[C@@H]2CCN(c3ccc(OC)cc3)C2)n1 853758617 IKDSMUAFNKUHIO-CYBMUJFWSA-N 303.431 3.405 10 10 DGCE CC[C@H](NC(=O)N[C@@H](C)c1ccccc1O)[C@H]1CCCCO1 868754253 HLIQCOPCJIGJTJ-DUVNUKRYSA-N 306.406 3.100 10 10 DGCE COc1cccc(O)c1CN1CCc2ccc(F)c(F)c2C1 770355370 MLCDPBKFXSOBFJ-UHFFFAOYSA-N 305.324 3.237 10 10 DGCE C/C(=C\c1ccco1)C(=O)NCc1ccc(N(C)C)c(F)c1 1125534119 CLVXFUCMFFTPEB-FMIVXFBMSA-N 302.349 3.204 10 10 DGCE COc1ccc2c(c1)NC1(CCC(C)CC1)CN2CCCN 76931194 FOSJNRGOLPBHTL-UHFFFAOYSA-N 303.450 3.225 10 10 DGCE Nc1ccc(Cn2ccnc2Cc2ccccc2[N+](=O)[O-])cc1 82735029 NSQFETCNZJDILJ-UHFFFAOYSA-N 308.341 3.013 10 10 DGCE COc1cc(Br)cc(CNC(C)(C)C(F)F)c1O 793255907 UUUXBKLSDLNDIQ-UHFFFAOYSA-N 324.165 3.297 10 10 DGCE Cc1cc(CN(Cc2ccco2)Cc2ccccc2O)ncn1 794410796 HTSAUQAHHAEXCV-UHFFFAOYSA-N 309.369 3.286 10 10 DGCE O=S(=O)(Nc1ccc(O)cc1Cl)c1ccc(Cl)cc1 85205182 YKTHSARHOKTRMP-UHFFFAOYSA-N 318.181 3.500 10 10 DGCE COc1ccc(CNC(=O)[C@@H](C)c2ccc(Cl)cc2)c(O)c1 1155574209 GXVTXYJTNBFBCL-NSHDSACASA-N 319.788 3.474 10 10 DGCE Cc1ncn(C)c1CNCc1cc(Cl)cc(Cl)c1O 2132072732 ZVGDHUQKCTXWIB-UHFFFAOYSA-N 300.189 3.031 10 10 DGCE O=C(NCc1ccc(O)c(O)c1)c1cc2ccccc2cc1F 1445902333 PMOXVZFKDYCHCK-UHFFFAOYSA-N 311.312 3.320 10 10 DGCE CNCc1ccc(N(Cc2ccccc2)[C@H]2CCOC2)c(F)c1 1915462682 XEUOTLGUBRGKKF-KRWDZBQOSA-N 314.404 3.341 10 10 DGCE COc1ccc(/C(C)=C/C(=O)N2Cc3cccc(O)c3C2)cc1 1455036691 JCFUDFZIOHAZLI-JLHYYAGUSA-N 309.365 3.347 10 10 DGCE CC(C)CN(C(=O)/C=C\c1cncc(F)c1)c1ccc(F)cn1 1527093909 AHNJMHFPWVAZGE-UTCJRWHESA-N 317.339 3.457 10 10 DGCE C/C=C(\C)C(=O)N[C@@H](C)CCCNCc1ccc(OC)c(C)c1 1700652449 HINIWKDTDUAHMH-CQMBDMNQSA-N 318.461 3.344 10 10 DGCE COc1ccc(N(CC[C@H]2COC(C)(C)O2)CC2CC2)cc1 1618018347 KLAGHKLXMXBHBL-KRWDZBQOSA-N 305.418 3.453 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)c1c(C)ccc2n[nH]cc12 1617046907 HXDOXYPFMXVGSY-UHFFFAOYSA-N 322.412 3.176 10 10 DGCE C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(Cl)c(F)c1 1630776137 UEJJSPOMASZWBQ-SECBINFHSA-N 323.751 3.310 10 10 DGCE Cc1ccc2nc(NC(=O)c3ccc(N=NC(N)=O)cc3)[nH]c2c1 1641548727 AVOCWVYDVBAOAN-UHFFFAOYSA-N 322.328 3.286 10 10 DGCE O=C(/C=C\c1ccc2[nH]ccc2c1)NCc1c(O)cccc1F 1652297917 BIWFNPKDKHIKDR-ALCCZGGFSA-N 310.328 3.342 10 10 DGCE C[C@H](CC(=O)NCc1c(O)ccc2ccccc12)[C@H]1CCCO1 1652709054 TZRJJHWNDAHEEA-FZKQIMNGSA-N 313.397 3.367 10 10 DGCE CO[C@@H]1C[C@@H](NCc2cc(Cl)cc(C(C)=O)c2O)C1(C)C 1658693057 JDDFDYLAPGHBIE-ZIAGYGMSSA-N 311.809 3.151 10 10 DGCE CCc1ccc(/C=C2/SC(=S)N(CCCOC)C2=O)o1 155378455 JELOGHLZGYASNU-FMIVXFBMSA-N 311.428 3.080 10 10 DGCE Cc1ccc(N2C(=O)/C(=C\c3ccc[nH]3)SC2=S)c(O)c1 1860084602 WJXYIRQBBZMIFW-MDWZMJQESA-N 316.407 3.435 10 10 DGCE O=C(c1cccc(O)c1O)N1CCC[C@@H]1c1ccc(F)cc1F 1148218788 LFZLKNYPLWOYJL-CQSZACIVSA-N 319.307 3.353 10 10 DGCE CC(C)(C)OC(=O)NCC1([C@H](N)c2ccccc2O)CC=CC1 1977008374 GVGDFKYUZRJGKG-OAHLLOKOSA-N 318.417 3.253 10 10 DGCE Cc1ccc(O)c([C@H](C)NC[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)c1 1978010207 YQNVNHPQTMDWBZ-YDHLFZDLSA-N 320.433 3.264 10 10 DGCE CS[C@H]1C[C@H](CNCc2cccc(Br)c2O)C1 2016150667 XAHPDJBYYNWQBL-HOMQSWHASA-N 316.264 3.386 10 10 DGCE CC(=O)c1cnc(Sc2nnc(C3CC3)n2C2CC2)s1 2159809989 VHDBZJGPNVJYGO-UHFFFAOYSA-N 306.416 3.301 10 10 DGCE Oc1cc(Br)ccc1CN[C@@H]1C[C@H]2C[C@H]1C[C@H]2F 2039898609 YRLZGSXDSFOKKR-LYIQGSDWSA-N 314.198 3.381 10 10 DGCE COCCNCc1ccc(N2C[C@H](F)C[C@@H]2C)cc1Cl 2160294199 HDWNREHHCSWASY-WCQYABFASA-N 300.805 3.013 10 10 DGCE COc1cc(CN(C)c2cc(Cl)c(CN)cc2F)sn1 2177386100 VXZSRDUPCZJRKN-UHFFFAOYSA-N 315.801 3.039 10 10 DGCE Nc1ccc(Nc2cc(F)c(Br)c(F)c2)nc1 689683275 QFRNNBGZWVFBHX-UHFFFAOYSA-N 300.106 3.448 10 10 DGCE CCOC1(C)CN(c2ccc([C@H](C)N)c(Br)c2)C1 399261349 PXHIBFXORBLTBH-JTQLQIEISA-N 313.239 3.084 10 10 DGCE CC(C)(C)c1ccccc1CNC(=O)Cc1ccc(O)c(O)c1 2064765104 WLASEKUYBHOQRE-UHFFFAOYSA-N 313.397 3.254 10 10 DGCE CCc1nn(Cc2c(O)cccc2F)c(Br)c1C 2079610612 NRRMXSPBTNQRKT-UHFFFAOYSA-N 313.170 3.409 10 10 DGCE O=C(O)C=Cc1ccc(N2CC3CC(C3)C2)c(Br)c1 2107496037 ZELHZHIAGWEHFG-UHFFFAOYSA-N 322.202 3.393 10 10 DGCE CN(C(=O)C=Cc1ccc(O)c(O)c1)[C@H]1CCc2ccccc21 2307982209 SWQHMXLBPLIHMO-INIZCTEOSA-N 309.365 3.257 10 10 DGCE C[C@]12CO[C@H](C1)[C@H](NCc1cc(Cl)cc(Cl)c1O)C2 2334542366 NVIOLQPTDLTBOR-YRGRVCCFSA-N 302.201 3.356 10 10 DGCE CNCc1ccc(C(F)(F)F)nc1Sc1nccs1 2343778714 CXYDPUBNPMXSMO-UHFFFAOYSA-N 305.350 3.428 10 10 DGCE FC(F)(F)c1ccc(NN=NCCCN2CCOCC2)cc1 1860496704 RPZBJDLYPMVCQR-UHFFFAOYSA-N 316.327 3.207 10 10 DGCE CC1CCN(c2ccc(CNC(=O)N[C@H]3C[C@H]3C)cc2)CC1 108583947 KUBKORRUZKVOCE-PBHICJAKSA-N 301.434 3.131 10 10 DGCE CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/N1CCCCC1 101141972 UHAUMUZDUQTLTO-RVDMUPIBSA-N 303.793 3.432 10 10 DGCE CC[C@@H](NS(=O)(=O)Cc1ccc(N)cc1)C1CCCCC1 52333850 BJVPFVFMTRPGQX-MRXNPFEDSA-N 310.463 3.047 10 10 DGCE COC(=O)[C@H](NCc1cc(Cl)ccc1O)c1ccccc1 50506546 MLARMFSMMANVOA-OAHLLOKOSA-N 305.761 3.050 10 10 DGCE CN(Cc1ccccc1O)C(=O)NC[C@H]1C[C@H]1c1ccccc1 111891818 PPGQDPOIHWYPDO-SJORKVTESA-N 310.397 3.337 10 10 DGCE CN(CCCC(=O)Nc1ccc(N)cc1)Cc1cccs1 35716650 WVPKUAHGLGUVHQ-UHFFFAOYSA-N 303.431 3.181 10 10 DGCE CN[C@@H](C)c1ccc(N2CCC(CN(C)C)CC2)cc1Cl 78905958 SBBHGXZUSZRTNM-ZDUSSCGKSA-N 309.885 3.398 10 10 DGCE Cc1ccc(O)c([C@H](C)NC[C@@H](CC(C)C)N2CCOCC2)c1 192744529 FVFNUJGNUJJNNS-DLBZAZTESA-N 320.477 3.098 10 10 DGCE CN[C@@H]1C(=O)Nc2cc(N3C[C@@H](C)C[C@H](C)C3)c(Cl)cc21 92749961 NNIGANHETFAOOG-YHAQOWFVSA-N 307.825 3.035 10 10 DGCE C[C@H](N[C@@H]1CNCCC1(F)F)c1ccc2ccccc2c1O 817980291 KMAQIPITWWNOHJ-XHDPSFHLSA-N 306.356 3.193 10 10 DGCE CN(C)c1ccc(CN(CC(=O)OC(C)(C)C)CC2CC2)cc1 729266205 XTHUVRKCMGITKY-UHFFFAOYSA-N 318.461 3.306 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)NCC2CCCCC2)c1 729041152 ORPAUVFFPYQNAX-GFCCVEGCSA-N 306.406 3.341 10 10 DGCE CCOCCC(=O)NCCc1cc(C)n(-c2ccccc2)c1C 728187190 ABOYXQQSJOWRLC-UHFFFAOYSA-N 314.429 3.179 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CNc3ccc(N)cc3)[C@@H]2C1 1897905778 PGKHBAJPTMKVCW-BZUAXINKSA-N 317.433 3.184 10 10 DGCE CCC[C@@H](C)[C@@H](CO)NC1CCN(c2ccc(OC)cc2)CC1 846018689 VZYZGCMBQZFBGA-DNVCBOLYSA-N 320.477 3.051 10 10 DGCE CCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2C)SC1=S 757917879 SFRAZAQOIJNBGR-XFFZJAGNSA-N 308.384 3.124 10 10 DGCE CC(C)C[C@H]1OCCC[C@H]1NC(=O)N[C@@H](C)c1ccccc1O 868516452 IIOXAAYWRDRPBI-YSVLISHTSA-N 320.433 3.346 10 10 DGCE C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@@H](C)C1(F)F 862442580 IRZQSBBJVOYZEL-GASCZTMLSA-N 324.415 3.246 10 10 DGCE Oc1cccc2c1CN(c1nccn3nc(C4CCC4)cc13)C2 866117392 NDUFOFVEGLRLJP-UHFFFAOYSA-N 306.369 3.223 10 10 DGCE COc1ccc(N2CCN(C[C@@]3(C)CCCS3)CC2)cc1F 862251695 LKPKCQVQSBXTLB-QGZVFWFLSA-N 324.465 3.242 10 10 DGCE COc1ccc(N(Cc2cnn(CCF)c2)CC2CC2)cc1 930637216 AUMXSSBEWYXZGJ-UHFFFAOYSA-N 303.381 3.278 10 10 DGCE C/C(=C\C(=O)N1C[C@H](C)Sc2ccccc21)c1cnccn1 1126993799 ZVTFXHRDRLHERZ-SRXBQZRASA-N 311.410 3.407 10 10 DGCE C[C@]12CN(Cc3ccccc3)C[C@H]1CN(c1ccc(N)cc1)C2 702060322 XOEKPDZQFXYZKE-FXAWDEMLSA-N 307.441 3.227 10 10 DGCE CC(C)N(C[C@H](C)O)c1ccc([C@@H](C)O)cc1Br 691521708 SOPVKPLECGVVOA-WDEREUQCSA-N 316.239 3.098 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCC[C@H]2OC)cc1 1135945999 AKEOIPMBOPTJEA-QZTJIDSGSA-N 318.461 3.306 10 10 DGCE C[C@@H](O)c1ccc(N2CCC[C@@H](F)C2)cc1Br 689390042 VLKMOKSKKQEHFS-NXEZZACHSA-N 302.187 3.441 10 10 DGCE CSc1ccccc1CN(C)C(=O)c1c(F)ccc(O)c1O 1306836511 NJRDWTBGPZLVCT-UHFFFAOYSA-N 321.373 3.231 10 10 DGCE Cc1ccc2c(CC(=O)NCc3c(O)cccc3F)coc2c1 1303877343 BAOBATDLPBGFHX-UHFFFAOYSA-N 313.328 3.445 10 10 DGCE Cc1cc(Cl)cc(C(=O)N[C@H](C)c2ccccc2O)c1N 1302532929 VDPXOVCIPMOCLW-SNVBAGLBSA-N 304.777 3.427 10 10 DGCE Cc1cc(CN[C@H](C(C)C)[C@@H](CO)C(C)C)ccc1N(C)C 1170442898 LCUDJMSVZWHMDE-PKOBYXMFSA-N 306.494 3.440 10 10 DGCE COc1ccc(CN[C@H](C)CN(C)C(=O)CCC2CC2)cc1C 1331410081 NJGVEWGRJAEUKC-OAHLLOKOSA-N 318.461 3.130 10 10 DGCE Cc1cnccc1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1349120933 ZZLLAHCGQJAQEO-UHFFFAOYSA-N 309.413 3.262 10 10 DGCE Cc1ncccc1/C=C\C(=O)N(C)c1cnc2ccccc2n1 1460583324 VKUOHCUQZGOOTN-KTKRTIGZSA-N 304.353 3.009 10 10 DGCE Cc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CC[C@@H](C)C1 1612537266 AUESHYQKWAJDKV-HIFRSBDPSA-N 314.433 3.365 10 10 DGCE CC(=O)c1cc(F)cc(CN2CCc3cccc(F)c32)c1O 1559611526 FQVQFGMQXHUKOO-UHFFFAOYSA-N 303.308 3.436 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2cc(-c3cccs3)[nH]n2)c1 1557554395 YIUYERZUUVVOKJ-UHFFFAOYSA-N 313.382 3.082 10 10 DGCE C[C@H](NC(=O)c1ccc2[nH]ccc2n1)c1ccc(N(C)C)cc1 1625543400 FSBRDJCIYPIDQP-LBPRGKRZSA-N 308.385 3.120 10 10 DGCE CC(C)Cc1cc(C(=O)N[C@H](C)c2ccccc2O)cc(O)n1 1632246185 CLVYHURQUBCMEN-GFCCVEGCSA-N 314.385 3.182 10 10 DGCE CC(C)(C)c1ccc(CNC(=O)NCc2c(O)cccc2F)o1 1565218726 WHMCPCYCNVDZPN-UHFFFAOYSA-N 320.364 3.421 10 10 DGCE COC1CC(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)C1 1596481858 IFACLMDRENCPMC-UHFFFAOYSA-N 312.413 3.135 10 10 DGCE CCCCOc1ccc(/C=C2/C(=O)N(C)N=C2C)cc1OC 1865671342 WRBUXMOSLPPTGR-GXDHUFHOSA-N 302.374 3.105 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1NCc1ccccc1O 1894417796 KSYNNPNXDZMXOH-LSDHHAIUSA-N 320.433 3.318 10 10 DGCE COc1cc(N(C)Cc2cnc(F)c(C)c2)cc(OC)c1OC 893460491 FWQSLPQSSVDVBA-UHFFFAOYSA-N 320.364 3.191 10 10 DGCE CC(C)(C)OC(=O)N[C@@H](CN)c1ccc2ccccc2c1O 1951474224 XUBLXBVSZUKREQ-AWEZNQCLSA-N 302.374 3.070 10 10 DGCE CSCC1CC(NCc2c(O)cccc2Br)C1 1974342556 WDEFNNPZNXZCGH-UHFFFAOYSA-N 316.264 3.386 10 10 DGCE CC(C)(C)OC(=O)N1CCN(c2ccc(N)cc2)C(C)(C)CC1 1977945406 NQCFDWIOWBDOQD-UHFFFAOYSA-N 319.449 3.495 10 10 DGCE CCc1cccc(CN[C@@H]2CC[C@H]2NC(=O)OC(C)(C)C)c1O 1986708002 ZBPXQAXPONOEEM-HUUCEWRRSA-N 320.433 3.100 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](Oc3ccc(N)cc3)[C@H]2C1 1992425387 JZMVCAXDKJZHFC-RCBQFDQVSA-N 318.417 3.293 10 10 DGCE CC(C)(C)OC(=O)NC1CC([C@H](F)COc2ccc(N)cc2)C1 1992586375 PMWCIKBSQOTMAY-ABIUDSBCSA-N 324.396 3.289 10 10 DGCE Cc1ccc(CN[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)c(O)c1 1994456854 RLYSSTFXVOTFHF-QFBILLFUSA-N 310.441 3.453 10 10 DGCE C[C@H](O)c1ccc(N2CCOCC[C@@H]2C)c(Br)c1 2031687901 BQSMHUMWKUHOFG-QWRGUYRKSA-N 314.223 3.118 10 10 DGCE CC[C@H](C)N(CCO)c1ccc([C@H](C)N)c(Br)c1 310767846 LVRKVBLOJQTWRI-QWRGUYRKSA-N 315.255 3.066 10 10 DGCE C[C@@H](N)c1ccc(N2CC[S@](=O)C(C)(C)CC2)c(Cl)c1 321614977 HJOWDORGGGJUPS-GIPWTMENSA-N 314.882 3.097 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCC[C@H]2COC[C@H]21 368529161 YPICMJUKXPVRDT-TVQRCGJNSA-N 302.201 3.310 10 10 DGCE CN(c1ccc(CN)cc1C(F)(F)F)[C@@H]1CCCSC1 821897354 ZAPBDDVKHPAVSV-LLVKDONJSA-N 304.381 3.496 10 10 DGCE CCN1CCc2cc([C@@H](NC)c3cc(Cl)ns3)ccc21 2167194056 KLLSGAZQHPYBSW-OAHLLOKOSA-N 307.850 3.488 10 10 DGCE Cc1ccc([C@@H](C2CC2)n2nc(C3(C)CC3)c(N)c2N)c(O)c1 2079026559 DRPKDSBFGRIWSX-OAHLLOKOSA-N 312.417 3.112 10 10 DGCE Cc1ccc(Cn2nc(C=O)c(Cl)c2C(F)(F)F)c(O)c1 2079230486 PQMPDMXPZMBEEK-UHFFFAOYSA-N 318.682 3.430 10 10 DGCE C[C@H](O)c1ccc(N2CC(O)(c3ccsc3)C2)c(Cl)c1 2193362160 DJJJBKMXEMNUSW-JTQLQIEISA-N 309.818 3.163 10 10 DGCE CNCc1ccc(N2CC3(CC(F)C3)C2)cc1Br 2051884364 BEBVCWBGZLGKII-UHFFFAOYSA-N 313.214 3.107 10 10 DGCE CC[C@H](N[C@@H]1C[C@@H]1COC)c1cc(Br)ccc1O 2054016564 QUWTZFTUTPNAOF-JIMOISOXSA-N 314.223 3.230 10 10 DGCE C[C@@]1(C(F)F)C[C@@H]1NCc1cc(Br)cc(F)c1O 2057274600 UNSVMGAGWAMMBL-JOYOIKCWSA-N 324.140 3.427 10 10 DGCE CN[C@H](c1ccc2c(c1)CCN2C)c1occc1Br 2106857297 JIMKJJVUVAPHCR-CQSZACIVSA-N 321.218 3.343 10 10 DGCE Cc1oc(Br)cc1[C@H](O)c1ccc2c(c1)CCN2C 2106805090 JIPPDIAXSLTRMP-OAHLLOKOSA-N 322.202 3.425 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@H]1NC(=O)Cc1ccccc1Br 2225792603 OMHJBCQJYMXVKT-NEPJUHHUSA-N 323.194 3.339 10 10 DGCE Cc1cc(C=CC(=O)N2CCC[C@@H](O)C2)c(C)n1-c1ccccc1 2296715004 HFEWPNAZVQQFBN-LJQANCHMSA-N 324.424 3.091 10 10 DGCE Cc1ccc(/C=C/C(=O)N2C[C@H](C)C(=O)Nc3ccccc32)cn1 493466471 RVRNLGUTKHFXOQ-LXKVQUBZSA-N 321.380 3.025 10 10 DGCE CCOC(=O)CCN(CC)N=Nc1cc([N+](=O)[O-])ccc1C 2330194061 OAXSMDVUQORTQQ-UHFFFAOYSA-N 308.338 3.177 10 10 DGCE CCN1N=C(c2ccccc2)C(=Cc2ccc(OC)cc2)C1=O 2332148474 SWQYATFLJXPLOU-UHFFFAOYSA-N 306.365 3.345 10 10 DGCE Cc1ccc(NC(=O)[C@@]23CC[C@@H](C(=O)C2=O)C3(C)C)cc1Cl 101103798 VRFJUOWROGJBQH-APPDUMDISA-N 319.788 3.161 10 10 DGCE C[C@@H](N[C@H](C)c1ccccc1O)c1ccc(-n2ccnn2)cc1 183630307 YIDBSYFPQVULLE-ZIAGYGMSSA-N 308.385 3.385 10 10 DGCE COC[C@H]1CCN([C@@H](C)c2cc(Br)ccc2O)C1 211408471 FVLUZRRIEJYDKP-QWRGUYRKSA-N 314.223 3.184 10 10 DGCE CCc1ccc(/C=C/C(=O)N[C@H](C)c2cc(OC)ccc2O)o1 127515021 JXPFHXYQLXEVDU-ZJNQMXKESA-N 315.369 3.447 10 10 DGCE C[C@H](NC[C@H](CO)c1ccccc1)c1cc(Cl)ccc1O 185652072 PDDITKPBNFWYSS-GXTWGEPZSA-N 305.805 3.472 10 10 DGCE C[C@@H](NC[C@@H](C)N(C)C(=O)OC(C)(C)C)c1ccccc1O 283187799 KICITJKRFQYRCW-CHWSQXEVSA-N 308.422 3.298 10 10 DGCE COc1ccc(N2CC[C@H](C(=O)O)[C@@H]2c2cccs2)cc1 40442888 FBLVCCNUUVPMJP-DZGCQCFKSA-N 303.383 3.409 10 10 DGCE Cc1ccc(O)c([C@@H](C)NC/C=C/CNC(=O)OC(C)(C)C)c1 227756611 AFFOUGXPKQLYEB-PSKZRQQASA-N 320.433 3.432 10 10 DGCE CO[C@]1(C)CCN([C@@H](C)c2cc(Br)ccc2O)C1 381134515 ADIWXXVIBAYZMM-IINYFYTJSA-N 314.223 3.327 10 10 DGCE CCCNCc1ccc(N2C[C@@H]3CC[C@H](O)[C@H]3C2)c(Cl)c1 252860175 JOQJMHPYYBHGBJ-ZQIUZPCESA-N 308.853 3.047 10 10 DGCE Cn1c(-c2ccccc2)cnc1SCCC1OCCCO1 267134236 ILYWRXQXJYKKDA-UHFFFAOYSA-N 304.415 3.332 10 10 DGCE C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1cccnc1 266840263 PDCRISNXAYOUES-HNNXBMFYSA-N 323.440 3.442 10 10 DGCE CCOc1cccc([C@H]2NC(=O)O[C@H]2Cc2ccccc2)c1O 575259537 IGMVNDCUBQMFLR-JKSUJKDBSA-N 313.353 3.183 10 10 DGCE COC[C@@H]1CCCN(Cc2c(O)ccc(Cl)c2F)CC1 825321684 LBSLLDRNUZIRMO-LLVKDONJSA-N 301.789 3.433 10 10 DGCE Cc1cc(Cl)cc(CN2CCC[C@@H](C(=O)NC(C)C)C2)c1O 827678741 GFLFGQCRZVYKGZ-CYBMUJFWSA-N 324.852 3.091 10 10 DGCE COc1cccc([C@H](C)NC[C@H]2CC[C@H](C(F)(F)F)O2)c1O 903176423 OSKOACWASKDMMT-OPQQBVKSSA-N 319.323 3.161 10 10 DGCE COC[C@](C)(O)CCN[C@H](C)c1cc(Cl)c(Cl)cc1O 834844726 UFVFYHIFYCECMF-YMTOWFKASA-N 322.232 3.137 10 10 DGCE Oc1cc2c(cc1CN1CCC[C@]3(CCOC3)C1)CCCC2 840141206 BVKYORXITNFWPZ-IBGZPJMESA-N 301.430 3.274 10 10 DGCE CCOc1ccc([C@H](C)NC(=O)NCc2ccccc2O)cc1 748463455 RGNXKTIGGGSWEZ-ZDUSSCGKSA-N 314.385 3.351 10 10 DGCE CC(C)(C)OC(=O)Nc1cccc([C@@H]2NCCCCC2=O)c1O 1952820095 CTPBFYWRMNNJJJ-AWEZNQCLSA-N 320.389 3.123 10 10 DGCE COc1cccc([C@H](C)NCCCc2nc(C(C)C)no2)c1O 846146402 QNXPJNIDOGBGBD-LBPRGKRZSA-N 319.405 3.191 10 10 DGCE C[C@H]1C[C@H](N[C@H]2C[C@@H]3OC(C)(C)O[C@@H]3C2)c2c(O)ccc(F)c21 927059559 DIBFOXNHKSHOQJ-YLHIVMMESA-N 321.392 3.352 10 10 DGCE COc1ccc(N2CC[C@H](Nc3ncc(C(F)F)cn3)C2)cc1 853761415 SRXXEKVVTASPHV-LBPRGKRZSA-N 320.343 3.114 10 10 DGCE CSC1CCC(CNC(=O)N2Cc3cccc(O)c3C2)CC1 924299792 YENUURJWHYAYRX-UHFFFAOYSA-N 320.458 3.339 10 10 DGCE COc1ccc(N(C)CCNC(=O)OC(C)(C)C)cc1Cl 759797328 MGXDWTKGOVTGTP-UHFFFAOYSA-N 314.813 3.310 10 10 DGCE COC(=O)/C=C/c1ccc(N(C)[C@@H](C)C2CC2)c([N+](=O)[O-])c1 931454114 QUNDFIWRUGLCRG-NKLKJHRZSA-N 304.346 3.016 10 10 DGCE O=C(NCCCSc1nccs1)OCCC(F)(F)F 866782099 QKLONLIVEIQARE-UHFFFAOYSA-N 314.354 3.304 10 10 DGCE Cc1cc(Br)c(O)c(CN[C@@H]2CSC[C@H]2C)c1 796480961 BOKJBRDRMRXJNF-BXKDBHETSA-N 316.264 3.304 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CC[C@@H]2COC[C@H]2C1 690798854 KQCRXBWVCODSCW-MWLCHTKSSA-N 302.201 3.167 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N[C@H]2C[C@H]2Cc2ccccc2)cc1 1147114086 VYNNEUJAHYSWCP-ZBFHGGJFSA-N 322.368 3.210 10 10 DGCE C[C@@H](N)c1ccc(N2CCO[C@](C)(C(F)F)C2)cc1Cl 698821672 KHNYYYNBHQJLCC-OTYXRUKQSA-N 304.768 3.220 10 10 DGCE O=C(CCCc1ccc(Cl)cc1)NCc1cc(O)ccc1O 1153879580 QRBWIUWXTJXOJI-UHFFFAOYSA-N 319.788 3.390 10 10 DGCE CN(CCN=[N+]=[N-])C1C[C@@H]2C[C@H](C1)CN(C(=O)OC(C)(C)C)C2 1901582040 JOELNBVWOFLJND-PBWFPOADSA-N 323.441 3.264 10 10 DGCE COc1ccc(N2CCN(C[C@@H](CC(C)C)OC)CC2)cc1F 1192108533 WVRGZOBLNVCRGK-MRXNPFEDSA-N 324.440 3.017 10 10 DGCE Cc1cc(C(=O)N2CCC[C@H]2CN=[N+]=[N-])oc1Br 1912149897 MOWCPRUWFADAGI-QMMMGPOBSA-N 313.155 3.265 10 10 DGCE C[C@H](NC(=O)c1cc(F)cc(Cl)c1N)c1ccccc1O 1454821119 JPGLPZIKWFZGFY-QMMMGPOBSA-N 308.740 3.258 10 10 DGCE CC(C)(C)OC(=O)Nc1ccc(C2(N)CC(F)(F)C2)c(O)c1 1535998003 VPAGOHKTYXWHOE-UHFFFAOYSA-N 314.332 3.322 10 10 DGCE CCN(C)c1ccc(CN2C[C@@H](O)[C@H](Cc3ccccc3)C2)cc1 1473874070 QVFVEJUYALOJHZ-TZIWHRDSSA-N 324.468 3.178 10 10 DGCE COC(=O)c1cnc(N[C@@H](C)c2ccccc2O)c(Cl)c1 1472855667 CIMZMVVVYOKFIM-VIFPVBQESA-N 306.749 3.400 10 10 DGCE CCC[C@@H](OCC)C(=O)NCc1ccc(N(CC)CC)c(F)c1 1616925353 WOYDWHCSHRRCKY-QGZVFWFLSA-N 324.440 3.493 10 10 DGCE CC[C@@H]1c2ccccc2CCN1C(=O)Cc1ccc(O)c(O)c1 1617579297 PMTWRWFODUNWDD-MRXNPFEDSA-N 311.381 3.176 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2cc(C=O)sc2Cl)c1 1557552514 KVYLMYYMBSJWRQ-UHFFFAOYSA-N 309.774 3.158 10 10 DGCE CN(C)c1ccc(CNC(=O)CN2CCCCCCCC2)cc1 1559841869 WUGMLYYLWJNYST-UHFFFAOYSA-N 317.477 3.025 10 10 DGCE CCC[C@@H](C)C(=O)NC[C@H](C)NCc1ccc(OC)c(C)c1 1480439693 UZEWKZREBHEFFK-HIFRSBDPSA-N 306.450 3.034 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CC[C@H]3[C@H](C2)C3(F)F)c1O 1559665907 UGBDQWBEJWXWFC-STQMWFEESA-N 315.747 3.335 10 10 DGCE Cc1cc(CNC(=O)[C@H]2C[C@H](C)CO2)c(C)n1-c1ccccc1 1624075623 WHFAUPIOWMVYNK-SCLBCKFNSA-N 312.413 3.135 10 10 DGCE O=C(NCc1c(O)cccc1O)c1ccccc1C(F)(F)F 1558533553 GWYDCLZWBYLJBZ-UHFFFAOYSA-N 311.259 3.047 10 10 DGCE COC(=O)c1cnc(Sc2cc(C)nc(C3CCC3)n2)s1 1639960280 PESVDEASYYGVKY-UHFFFAOYSA-N 321.427 3.447 10 10 DGCE CN1CCCc2cc([C@@H](CCO)NC(=O)OC(C)(C)C)ccc21 1927279018 FEQNYRQOJMTKNE-OAHLLOKOSA-N 320.433 3.017 10 10 DGCE C[C@@H](NC(=O)c1c[nH]c2nccc-2c1)c1ccc(N(C)C)cc1 1633314999 AXZVAXSCKHOANA-GFCCVEGCSA-N 308.385 3.072 10 10 DGCE Cc1ccc(O)c(CNC(=O)C[C@H](O)c2ccc(Cl)cc2)c1 1584983130 FJSKLQMAKIAOCA-INIZCTEOSA-N 319.788 3.094 10 10 DGCE CCCn1c(C(=O)NCc2cc(O)ccc2O)cc2ccccc21 1593873674 VZMPICUIYSUJLQ-UHFFFAOYSA-N 324.380 3.393 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCN(CCCN=[N+]=[N-])C2(CC2)C1 1962304982 PYXLUEINOGCXIL-GFCCVEGCSA-N 309.414 3.209 10 10 DGCE CCOC(=O)[C@@H]1CCCN(/N=N/c2ccc(N(C)C)cc2)C1 1860485587 PUVADGWFXYICDQ-OYLHUBKDSA-N 304.394 3.026 10 10 DGCE CCCC1=NN(CCC)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1 1865676882 PRZYWANWULUHNV-SDNWHVSQSA-N 301.346 3.387 10 10 DGCE C[C@H]1OC2(CNCc3cc(Cl)cc(Cl)c3O)CC1C2 1878451264 HNLAFJHGXNLEBE-CCMBEOLZSA-N 302.201 3.356 10 10 DGCE CCSCCNCc1c(Br)ccc(OC)c1O 1964024417 VPFDMSKOOHHXOO-UHFFFAOYSA-N 320.252 3.006 10 10 DGCE CC[C@H]([C@@H](O)c1ccc(N(C)C)cc1)N(C)C(=O)OC(C)(C)C 1977940298 XUBKZPTYMMDKLG-CVEARBPZSA-N 322.449 3.432 10 10 DGCE Cc1ccc(O)c([C@H](C)NC[C@H]2C[C@H]2NC(=O)OC(C)(C)C)c1 1978010205 YQNVNHPQTMDWBZ-GZBFAFLISA-N 320.433 3.264 10 10 DGCE CN(CCN=[N+]=[N-])C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 1985104895 MKBCOGDFVMJRFC-UHFFFAOYSA-N 319.365 3.416 10 10 DGCE C[C@@H]1CN(Cc2cc(Br)cc(F)c2O)CC1(F)F 2040588856 LNEPQKLJDTXZTK-SSDOTTSWSA-N 324.140 3.381 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@H]3C[C@H]2[C@@H]2C[C@H]32)cc1Br 2041509966 AGOHZSALKXPWCT-FRCJOOGCSA-N 308.219 3.347 10 10 DGCE Cc1cccc([C@@H](C)n2nccc2C(=O)OC(C)(C)C)c1O 2069973245 PNDUQLRKMJNBAX-GFCCVEGCSA-N 302.374 3.462 10 10 DGCE CCNC(=O)c1cc(C(C)C)nn1[C@@H](C)c1ccc(F)cc1O 2070164523 DYTCBMPGAHCVSB-NSHDSACASA-N 319.380 3.210 10 10 DGCE Cc1cccc(O)c1Cn1cc(C(=O)OC(C)(C)C)c(C)n1 2070262467 VHLNTZIDMQIUSU-UHFFFAOYSA-N 302.374 3.209 10 10 DGCE CN1CCCc2cc([C@H](NN)c3ccsc3Cl)ccc21 2176408124 NIGNKSHAVUHSKB-AWEZNQCLSA-N 307.850 3.337 10 10 DGCE CCc1nn([C@@H](CC)c2ccc(OC)cc2O)c(Cl)c1N 2079997540 DWYGHRVXJBOORV-LBPRGKRZSA-N 309.797 3.395 10 10 DGCE CCOC(=O)c1cnc(Sc2cccc(C(=O)O)c2)s1 2182620840 ZURISQRJHZGCRU-UHFFFAOYSA-N 309.368 3.169 10 10 DGCE CC(C)NCc1ccc(N2CC[C@@H]2CF)cc1Br 2063212795 GJJGMLCJYCXUHW-CYBMUJFWSA-N 315.230 3.495 10 10 DGCE COc1ccc(Br)c(CNCc2ccoc2)c1O 2220462232 IQDVEFYTURVBDO-UHFFFAOYSA-N 312.163 3.046 10 10 DGCE CCNCc1ccc(N2CC[C@@H](OC(F)F)C2)c(Cl)c1 2238880665 NXVAPLOWAPOEFD-LLVKDONJSA-N 304.768 3.267 10 10 DGCE CC1(C)[C@H]2C[C@H]2CN1c1cc(Br)c(CN)cc1F 2256964126 HSGOGZJDJNUZCU-UWVGGRQHSA-N 313.214 3.282 10 10 DGCE C[C@@H](N)c1ccc(N(C)CC[C@H]2CCO2)cc1Br 2263999366 RTNKXZWJRCEYOA-PWSUYJOCSA-N 313.239 3.084 10 10 DGCE Cc1ccc(/C=C\C(=O)N(CC(F)(F)F)c2ccccn2)cn1 492473807 NMHHIWZLZARBAB-FPLPWBNLSA-N 321.302 3.394 10 10 DGCE CCCOc1ccccc1N=NN1CCN(C(=O)OCC)CC1 2330217296 OEUADQYXVIEORZ-UHFFFAOYSA-N 320.393 3.248 10 10 DGCE COc1ccccc1-n1c(C)cc(CNC[C@H]2CCCO2)c1C 113704245 PPYAYOKKTLSOJZ-QGZVFWFLSA-N 314.429 3.371 10 10 DGCE CC(C)[C@@H](C)NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 53958690 CNCLSGYQEDDCFK-ZBFHGGJFSA-N 320.433 3.127 10 10 DGCE CC[C@H](C)[C@@H](C)NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 170998503 IKXOIMXYPWJIPK-UIOUNXJESA-N 316.445 3.087 10 10 DGCE CCN(C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C(C)C 118946542 XZRVODZQUCXINN-INIZCTEOSA-N 320.433 3.224 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)NCCc2ccccc2)c1 171720564 CLTZDIRYXXTZGZ-ZDUSSCGKSA-N 314.385 3.004 10 10 DGCE CC(=O)CCC(C)(C)C(=O)N(C)Cc1ccc(N(C)C)cc1 120501168 LSYPTEBRBRFRTF-UHFFFAOYSA-N 304.434 3.106 10 10 DGCE CCc1nnsc1CN(C)c1ccc([C@@H](C)N)c(Cl)c1 2360897453 VRRXRNUXXKFAGY-SECBINFHSA-N 310.854 3.410 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](N)[C@H]1c1ccc(Cl)cc1O 1952309407 VKPWFSRMHWUECL-WCQYABFASA-N 312.797 3.055 10 10 DGCE O=C(c1cccc(O)c1O)N1CC=C(c2ccccc2F)CC1 193165320 KMIDGKQJOQZGBP-UHFFFAOYSA-N 313.328 3.166 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2C[C@H]3CC[C@H]2O3)cc1 191414734 ICVXENYPTIFMEF-FGTMMUONSA-N 310.397 3.144 10 10 DGCE Cc1cc(CN)ccc1N1CC[C@H](COCc2ccccc2)C1 384156376 CSNUSFIXHSZPIW-IBGZPJMESA-N 310.441 3.497 10 10 DGCE OC[C@H]1C[C@H]2CC[C@H]1N2Cc1cc(-c2ccccc2)ccc1O 291008786 WRMHMZIZXGEFEP-GUDVDZBRSA-N 309.409 3.404 10 10 DGCE CC(=O)C(=O)COC(=O)c1ccccc1Sc1ccccc1 808522283 QHJQONDRPFDUBV-UHFFFAOYSA-N 314.362 3.153 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCOC1(C)C 298000019 CZPVDSPMPMSUKS-INIZCTEOSA-N 320.433 3.271 10 10 DGCE CC(C)(NCc1ccc(N2CCOCC2)c(F)c1)C1CCC1 824877839 AZZYPNVWLOOMAZ-UHFFFAOYSA-N 306.425 3.331 10 10 DGCE CC(C)(C)OC(=O)NCCC1(COc2ccc(N)cc2)CC1 1952993266 LCGSEJNXGZBRQT-UHFFFAOYSA-N 306.406 3.343 10 10 DGCE CN(C)c1ccc(/C=C\CNCCCC(=O)OC(C)(C)C)cc1 835042092 GPWNZEZLPITBPB-VURMDHGXSA-N 318.461 3.477 10 10 DGCE CC(C)[C@@H](O)C1(CNC/C=C\c2ccc(N(C)C)cc2)CC1 842207635 OOHVKDZCGYKJDY-OOFWQKGWSA-N 302.462 3.153 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@@H](C)[C@](C)(O)c2ccccc2)c1 846044798 QFGIZXUMQNAWEZ-NJSLBKSFSA-N 315.413 3.348 10 10 DGCE Oc1cccc(Cl)c1CN1CCc2cc(Cl)nnc2C1 843417891 GAEGTNBXRVGAHH-UHFFFAOYSA-N 310.184 3.047 10 10 DGCE c1cc(N2CCCCC2)ccc1CN1CC[C@@]2(CCCNC2)C1 843116861 MWLAJRPAXKMLPY-HXUWFJFHSA-N 313.489 3.252 10 10 DGCE CC[C@@H]1C[C@@H](CN(C)CCN(C)c2ccc(OC)cc2)CCO1 846051291 FGAGJWARPXPFMS-FUHWJXTLSA-N 320.477 3.268 10 10 DGCE O[C@H]1CN(c2ccc(OCc3ccccc3)cc2)C[C@H]1C1CC1 1899885857 WCBOAJHZOAKYCW-PMACEKPBSA-N 309.409 3.473 10 10 DGCE COc1ccc(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cc3)C2)cc1 853759307 RXGAHZXXNXWCSG-CQSZACIVSA-N 313.357 3.294 10 10 DGCE CN1CCN(c2ccc(CN(C)C[C@H]3CC=CCC3)cc2)CC1 753574764 DQFBGSPQGZBJSK-SFHVURJKSA-N 313.489 3.227 10 10 DGCE COc1cc(Cl)cc([C@@H]2NC(=O)c3ccc(F)cc3N2)c1O 758819406 KUEICGMHSOJYQN-AWEZNQCLSA-N 322.723 3.047 10 10 DGCE CN(Cc1ccccc1O)C(=O)NCC[C@H]1CC1(Cl)Cl 856948572 RJXMPLIWBAKCNN-NSHDSACASA-N 317.216 3.118 10 10 DGCE Cc1cc(N(C)C)ccc1CN[C@@H]1CC[C@H]2COCC[C@@H]2C1 921748566 XZDJWVVQHINNEU-BPQIPLTHSA-N 302.462 3.356 10 10 DGCE CN(C)c1ccc(CNC(=O)OCCC(F)(F)F)cc1F 866673144 WSMHZBODYXLSJA-UHFFFAOYSA-N 308.275 3.070 10 10 DGCE CS[C@@H](C)CCC(=O)NCc1ccc2cccnc2c1O 862027481 UHMSFWUAELNQIY-NSHDSACASA-N 304.415 3.088 10 10 DGCE CCOC1CC2(C1)C[C@@H]2C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 867505463 VJTQPQJJYQGHJT-RNJAEUJHSA-N 316.445 3.135 10 10 DGCE Oc1c(F)cc(Cl)cc1CN1CCC(c2ncc[nH]2)CC1 775665662 HXIWUBMQWJICFZ-UHFFFAOYSA-N 309.772 3.287 10 10 DGCE Oc1c(F)cc(F)cc1CN1CCO[C@H](c2ccsc2)C1 894073381 XHCYBOMDCSEAHK-AWEZNQCLSA-N 311.353 3.305 10 10 DGCE C[C@H]1C[C@H]1n1c(C2CCC2)nnc1N(C)Cc1ccccc1O 1304960757 LTQPCQGZACHDLD-SWLSCSKDSA-N 312.417 3.469 10 10 DGCE CC(C)N[C@]1(CO)C[C@H](Sc2nccs2)CC[C@@H]1C 2119120041 JLSMZPPAHQGOHG-SCRDCRAPSA-N 300.493 3.153 10 10 DGCE CCOC(=O)[C@@H](NCCCN=[N+]=[N-])c1ccc(SC)s1 1912155172 KEOCIGTXJNXZTO-NSHDSACASA-N 314.436 3.364 10 10 DGCE CC(C)(CO)N(CCCc1ccc(N)cc1)Cc1ccccc1 1915779884 GNVWBVBCDRMEMN-UHFFFAOYSA-N 312.457 3.475 10 10 DGCE CC(C)n1nccc1C(=O)NCc1c(O)ccc2ccccc12 1456306849 ABRAOSJWLUMFMZ-UHFFFAOYSA-N 309.369 3.253 10 10 DGCE Cc1c[nH]ccc1=NC(=O)Cc1cc(C)n(-c2ccccc2)c1C 1293053500 ZZNFWGQCPXQYCH-UHFFFAOYSA-N 319.408 3.401 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H]2c2cccnc2)cc1 1539474753 PZIDUXIHAMDWQQ-HNNXBMFYSA-N 323.356 3.221 10 10 DGCE C[C@@H]1CCC[C@@H](CNC(=O)N2Cc3cccc(O)c3C2)[C@@H]1C 1470000928 KGAVTVSBHWPLGQ-MCIONIFRSA-N 302.418 3.490 10 10 DGCE O=C(NCc1c(O)cccc1F)NC[C@H]1CCC=CCCC1 1479551343 NTAAIOFABJGGMV-ZDUSSCGKSA-N 306.381 3.467 10 10 DGCE COCc1ccc(C(=O)N[C@H](C)c2ccccc2O)cc1F 1557967744 KBADCNKWDCIKJF-LLVKDONJSA-N 303.333 3.169 10 10 DGCE CC(C)(C)OC(=O)N[C@@H](C[C@@H](N)c1ccccc1O)C1CC1 1928473407 AXVFKWAMBJUCQN-KGLIPLIRSA-N 306.406 3.085 10 10 DGCE O=C(CCCc1ccc(Cl)cc1)NCc1c(O)cccc1O 1652623219 QFYSQYTWAUJPPQ-UHFFFAOYSA-N 319.788 3.390 10 10 DGCE CC(C)(C(=O)NCc1cc(O)ccc1O)c1ccccc1Cl 1593872684 ATOJFEGADMPMSU-UHFFFAOYSA-N 319.788 3.345 10 10 DGCE Cc1c(F)cc(C(N)=O)cc1NCc1cccc(Cl)c1O 158061633 YDNNMSXJVRQHDG-UHFFFAOYSA-N 308.740 3.204 10 10 DGCE CC[C@H](CSC)N(C)c1ccc(CN)cc1Br 167179161 CANQYAWLFGGDFA-LLVKDONJSA-N 317.296 3.486 10 10 DGCE CCCC1=NN(CC)C(=O)/C1=C/c1cccc(OC)c1OCC 1865670421 YVUPREJUHQGYAX-WYMLVPIESA-N 316.401 3.496 10 10 DGCE CCc1ccc(NC(=O)CNCc2cc(Cl)ccc2O)cc1 1857858386 USDWRBLGRMWRMB-UHFFFAOYSA-N 318.804 3.336 10 10 DGCE C[C@@H](O)c1ccc(N2CC[C@](C)(F)C2)cc1Br 1946967451 HADQWXDNJYBBPD-RNCFNFMXSA-N 302.187 3.441 10 10 DGCE C[C@H](CNC(=O)OC(C)(C)C)C[C@H](N)c1ccc(N(C)C)cc1 1977944114 AWLWETKCMCQQBG-BBRMVZONSA-N 321.465 3.303 10 10 DGCE C[C@H]1C[C@@H](NCc2ccc(N)cc2)CN(Cc2ccccc2)C1 1986355130 FMJQITVAAPNACY-OXJNMPFZSA-N 309.457 3.269 10 10 DGCE CC(=CCCNC(C)(C)C)c1nc(Br)cn1C 1997869433 AUKFPWNGCXDRNE-UHFFFAOYSA-N 300.244 3.364 10 10 DGCE Nc1cccc(Br)c1NC1CCN(C2CC2)CC1 2029091187 DOZZMCQZFUOXFN-UHFFFAOYSA-N 310.239 3.070 10 10 DGCE CO[C@@H](C)CN(Cc1cc(Br)ccc1O)C(C)C 688093908 FPUVZTSYXTUWAH-NSHDSACASA-N 316.239 3.400 10 10 DGCE COCCNCc1ccc(N2CCC[C@@H]2CF)c(Cl)c1 2171805657 PXJYBWOETVHUFS-CYBMUJFWSA-N 300.805 3.014 10 10 DGCE CO[C@H]1CC[C@H]1N(C)c1ccc([C@H](C)O)cc1Br 724149973 IELUDSJMKZLAPN-FZZIBODNSA-N 314.223 3.116 10 10 DGCE O=C(Nc1ccc(O)c(O)c1)[C@H]1CCC[C@@H](C(F)(F)F)C1 2062727151 QLSYIJVUAKJNNX-DTWKUNHWSA-N 303.280 3.405 10 10 DGCE Cc1ccc(NCc2ccc(O)c(O)c2)c(Br)n1 2061202596 DXAWYKAIOQNHSJ-UHFFFAOYSA-N 309.163 3.176 10 10 DGCE CN(CC1(Br)CC1)c1ccc(C=CC(=O)O)cc1 2076264383 VGXKURJNNFSGFE-UHFFFAOYSA-N 310.191 3.148 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@](C)(F)[C@](C)(Br)C2)cc1 2084856074 LIPTXZMBWVWICF-HONMWMINSA-N 315.230 3.408 10 10 DGCE COCCNCc1ccc(N(C)CC2(F)CC2)c(Cl)c1 2206342567 VYKFOJOZLOZAEV-UHFFFAOYSA-N 300.805 3.014 10 10 DGCE CCC[C@@H](CCN)CCCNCc1cnc(SC)s1 2269314297 SJJHVWHOEYPJDN-GFCCVEGCSA-N 301.525 3.500 10 10 DGCE C[C@@H](N)c1ccc(N2CC[C@H]3C[C@]3(F)C2)cc1Br 2222718856 RYFGMYMIVVCINX-BFVZDQMLSA-N 313.214 3.407 10 10 DGCE Cc1cc(N2CC(N(C)Cc3ccccc3)C2)ccc1[C@H](C)N 2243951631 ABUGEWOMRDUBQC-INIZCTEOSA-N 309.457 3.335 10 10 DGCE CSc1ncc(CN[C@H]2[C@@H](CN)CCCC23CCC3)s1 2284701931 DUGQXMHULKAJTF-YPMHNXCESA-N 311.520 3.252 10 10 DGCE Oc1cc(Cl)ccc1CN1CCC[C@H](OCC(F)F)C1 2279277136 RHBAGOIJNSZAGE-LBPRGKRZSA-N 305.752 3.292 10 10 DGCE CCN(CC)c1ccc(C=C2SC(=S)N(C)C2=O)cc1 2296680689 GDJXAZGHZPGEEF-UHFFFAOYSA-N 306.456 3.364 10 10 DGCE CC(C)[C@@H]1COCCN1Cc1c(O)cccc1Br 1140101454 SQVDCZYNTMUSLA-ZDUSSCGKSA-N 314.223 3.012 10 10 DGCE Cc1ccc(CN[C@@H]2CCC[C@@H]2F)c(O)c1Br 2307473622 IHAJRABFUXUOBD-WDEREUQCSA-N 302.187 3.443 10 10 DGCE [N-]=[N+]=NC[C@H]1CCN(C(=O)c2cc(Cl)cc(Cl)n2)C1 2335599526 XGCHJKQIZZEYBE-SSDOTTSWSA-N 300.149 3.161 10 10 DGCE COc1ccc(N(C)Cc2csc(CNC(C)C)n2)cc1 52541720 BJCHOVDVCJVHEV-UHFFFAOYSA-N 305.447 3.286 10 10 DGCE CN(C)c1ccc(CNC(=O)NC[C@@H]2C[C@@H]2c2ccccc2)cc1 111424007 BRKUAKNYEJLLKA-PKOBYXMFSA-N 323.440 3.356 10 10 DGCE Cc1cccc(-n2c(C)cc(C(=O)N[C@H]3CCC[C@@H]3O)c2C)c1 178586588 ZNYQPKHVJPEDMY-ROUUACIJSA-N 312.413 3.046 10 10 DGCE CCC[C@@H]1CCCN(S(=O)(=O)Cc2ccc(N)cc2)CC1 79302345 JPSZMXZDXBYWJB-CQSZACIVSA-N 310.463 3.001 10 10 DGCE Cc1nn(C)c(C)c1CCCN[C@@H](C)c1cc(F)ccc1O 186228137 YTXLJPTUIKVKGV-NSHDSACASA-N 305.397 3.165 10 10 DGCE COc1ccc(N(C)Cc2cnc3nc(C)cc(C)n23)cc1F 180773159 ZVMPMKFBOMMGIJ-UHFFFAOYSA-N 314.364 3.130 10 10 DGCE Cn1ccc2ccc([C@H]3[C@@H](N)CCN3C(=O)OC(C)(C)C)cc21 1952324582 ONTJNVKGMMSNTH-HOCLYGCPSA-N 315.417 3.188 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc2sncc2c1 190494445 JKKWNFCYAYFQMS-QHHAFSJGSA-N 312.350 3.359 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCc1ccc(Cl)cc1 96642652 MKJOBDWXHJNTFX-NSHDSACASA-N 319.788 3.246 10 10 DGCE CN(C)c1ccc(CNC(=O)[C@H]2C[C@H]2c2ccccc2F)cc1 248132767 QUULJRMYCQMJHW-IRXDYDNUSA-N 312.388 3.312 10 10 DGCE CCC(NCc1cc(OC)c(OC)cc1O)(C1CC1)C1CC1 529643999 LGOHJQUFJRQABS-UHFFFAOYSA-N 305.418 3.468 10 10 DGCE COc1cccc(CCN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)c1 273432739 WGMBAZZTSJGLHM-LBPRGKRZSA-N 316.357 3.202 10 10 DGCE Cc1cnn([C@H]2CCN(Cc3cc(Cl)c(F)cc3O)C2)c1 293835668 GVJABBJADRWDSI-LBPRGKRZSA-N 309.772 3.137 10 10 DGCE COc1ccc(O)c([C@@H](C)NCc2ccc([C@@H](C)N)cc2)c1 817963814 VRECOSXHLSEVFL-CHWSQXEVSA-N 300.402 3.271 10 10 DGCE CCN(CC)c1ccc(CNC(=O)/C=C\[C@@H]2CCCO2)cc1F 819261139 ZWWLMWRQKRDKLB-WWRUEGTHSA-N 320.408 3.023 10 10 DGCE CS[C@@H]1CC[C@H]1NCc1ccc(N2CCSCC2)cc1 822452053 VGRDGRAQWOCTCY-HZPDHXFCSA-N 308.516 3.223 10 10 DGCE CN(Cc1cccs1)c1ccc(CN2CCO[C@@H]3C[C@@H]32)cc1 824426861 DSXLJFQHJLHRBQ-ZWKOTPCHSA-N 314.454 3.358 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)[C@H](C)[C@H]1CCCO1 908044360 AWKFVQRVBHVIDV-RHSMWYFYSA-N 305.418 3.336 10 10 DGCE COC(=O)[C@@H](C)CN(C/C=C\c1ccc(N(C)C)cc1)C1CC1 835043941 CRCRDRPNWNFZCW-YVACAVLKSA-N 316.445 3.039 10 10 DGCE COCCOc1cccc(CN[C@@H]2CCc3cccc(O)c32)c1 834518625 KRISBLMSINAPHT-QGZVFWFLSA-N 313.397 3.195 10 10 DGCE C[C@H](NC(=O)c1onc2c1CCCC2)c1ccc(N(C)C)cc1 832431861 WWBBASQQOQEYFF-LBPRGKRZSA-N 313.401 3.110 10 10 DGCE CN(C)c1ccc(/C=C\CNC[C@@H](c2ccco2)N(C)C)cc1 835034923 ZVSDEMVDUQGJIX-YEODSOHDSA-N 313.445 3.251 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H](F)[C@H]1c1ccc(N)cc1O 1953073905 LQTYCTVICQTFME-TZMCWYRMSA-N 310.369 3.385 10 10 DGCE Cc1cc(C)c2c(N)c(C(=O)O[C@H]3COC(C)(C)C3)sc2n1 849659375 HCPRVCWSILGJIM-SNVBAGLBSA-N 320.414 3.220 10 10 DGCE C[C@@H](NCc1ccncc1Br)c1ccc(O)cc1O 686562473 LYVVHGSOCBWIRG-SECBINFHSA-N 323.190 3.106 10 10 DGCE Cc1cc(O)c(CN2C[C@@H](N)[C@H](c3ccccc3)C2)c(Cl)c1 843113777 CYIRCNSNQCESKJ-WMLDXEAASA-N 316.832 3.281 10 10 DGCE CCOc1ccc(O)c(CN2C[C@@H](O)C[C@H]2c2ccccc2)c1 840956129 DDPXPRVMJYXPHP-WMZOPIPTSA-N 313.397 3.099 10 10 DGCE Oc1ccc2ccncc2c1CN1C[C@]23CCCC[C@@]2(COC3)C1 853623540 RJXGPYYJAANIJS-PMACEKPBSA-N 324.424 3.333 10 10 DGCE Cc1cc(CO)cc(C)c1CNCc1c(O)cccc1Cl 922561639 QUYHHHBBWKJBIH-UHFFFAOYSA-N 305.805 3.445 10 10 DGCE Cc1ccc([C@H](C)N[C@H]2CCN(c3ccccc3)C2=O)c(O)c1C 756662224 YVWDJCGUIXDKAO-YJBOKZPZSA-N 324.424 3.465 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)CCCC(C)C)C2)cc1 855224039 DTCCWDYREGCHQV-OAHLLOKOSA-N 304.434 3.216 10 10 DGCE CCC[C@H](CC)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 852024812 NPXLPRGQGUISIH-LSDHHAIUSA-N 319.449 3.152 10 10 DGCE C[C@H]1c2ccccc2C[C@H]1NC(=O)NCc1ccc(N(C)C)cc1 852527094 BSUSHSXQZLBNDG-IFXJQAMLSA-N 323.440 3.280 10 10 DGCE C[C@@H]1[C@@H](C(F)(F)F)CCCN1Cc1cc2c(cc1O)OCO2 776012677 IPWVUHSOKOGNNH-KOLCDFICSA-N 317.307 3.284 10 10 DGCE COc1ccc2c(c1)CCCN2Cc1cnc2nc(C)cc(C)n12 780766092 DUINENWTOGGIAV-UHFFFAOYSA-N 322.412 3.308 10 10 DGCE CN(C)c1ccc(CN2CC[C@@H](c3nccs3)C2)cc1F 895585103 WBOVQXABXVVTLR-CYBMUJFWSA-N 305.422 3.338 10 10 DGCE CSc1ccccc1[C@H](C)NC(=O)Cc1ccc(O)c(O)c1 1139128517 SIADDSPDFHXVEV-NSHDSACASA-N 317.410 3.240 10 10 DGCE Nc1cccc(Cl)c1NC1[C@H]2CN(Cc3ccccc3)C[C@H]12 398305535 PCJHAVQVQGVJJM-KBPBESRZSA-N 313.832 3.465 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N[C@H]2C[C@H]2c2ccccc2)cc1 1156206089 NETSDZUYDJMCCT-GJZGRUSLSA-N 308.341 3.135 10 10 DGCE COC(=O)c1cnc(S[C@@H]2CCCc3cccnc32)s1 1307348122 HEVDBPSTUCPVHL-SNVBAGLBSA-N 306.412 3.494 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H](C)C(F)F 1161304416 SNNCVVCXWGXOLC-NSHDSACASA-N 320.339 3.290 10 10 DGCE CCCN1CCC[C@@H]1C(=O)NCc1c(O)ccc2ccccc12 1179030038 XLUDTDZSMQQWFC-QGZVFWFLSA-N 312.413 3.036 10 10 DGCE COc1cc(Cl)cc(CNc2cnc(Cl)cn2)c1O 2121641569 GSRUIZMMGBVXQS-UHFFFAOYSA-N 300.145 3.110 10 10 DGCE COc1ccc(O)c(CNc2cc(Br)cnc2C)c1 1652509465 NIBUZTRLVQDLIX-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE C[C@@H]1CC/C(=C/C(=O)N2CCOc3cc(N(C)C)ccc32)C1 1532657164 UXUUWJRFHCBSCE-KECPUOCWSA-N 300.402 3.224 10 10 DGCE CC[C@H](C)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(OC)c1 212667717 RANLUEKGERULLT-SOUVJXGZSA-N 306.450 3.197 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC/C=C/Cl 1472263627 UJIOUYHZYDDIQX-VMPITWQZSA-N 316.788 3.389 10 10 DGCE CC[C@@]1(F)CCN(c2ccc(CNC)c(Br)c2)C1 1925561918 SIXAKLSQYCYBOA-CQSZACIVSA-N 315.230 3.497 10 10 DGCE COC(=O)c1cc(OCc2cc(Cl)ccn2)ccc1N(C)C 1653037277 VCFDEZZKXKQPQJ-UHFFFAOYSA-N 320.776 3.167 10 10 DGCE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]2CC[C@H]1N2CCCN=[N+]=[N-] 1962298323 DIJGPCRBOZJPLQ-FRRDWIJNSA-N 309.414 3.064 10 10 DGCE CN[C@H](c1ccccc1O)[C@@H](C)N(C(=O)OC(C)(C)C)C1CC1 1936981519 APIRAYYYJJUXPM-WBMJQRKESA-N 320.433 3.441 10 10 DGCE N=c1cc(C(=O)Nc2ccc(Oc3ccc(N)cc3)cc2)cc[nH]1 1866098578 WFDFEAZNQUDEFK-UHFFFAOYSA-N 320.352 3.121 10 10 DGCE Nc1ccc(O[C@@H]2CC[C@H]3C[C@H]2CN3C(=O)c2ccccc2)cc1 259394126 BVRQGVWZLIVTAZ-VDZJLULYSA-N 322.408 3.341 10 10 DGCE C[C@H](NCc1ccc(Br)cc1O)[C@@H]1CC1(F)F 1942441689 QMEIGTCDQHUOIP-XVKPBYJWSA-N 306.150 3.288 10 10 DGCE CC[C@@H]1C[C@@H](NCc2c(O)cccc2Br)CCO1 858180047 KALYPOLLOCFXIZ-WDEREUQCSA-N 314.223 3.202 10 10 DGCE CN(Cc1ccc(-c2cnn(C)c2)cc1)c1ccc2c(c1)OCO2 1321032313 FCHXGFPNPGZUCJ-UHFFFAOYSA-N 321.380 3.452 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@H](Nc1ccccc1N)C2 1977660041 SLYAMZWXTQVNMT-MAZHCROVSA-N 317.433 3.469 10 10 DGCE CCN(CC)c1ccc([C@@H](O)CCNC(=O)OC(C)(C)C)cc1 1977936243 UGBFCHUPVOQZTA-INIZCTEOSA-N 322.449 3.481 10 10 DGCE C[C@@H](N)c1ccc(N2CC[C@H]2C(F)F)c(Br)c1 2004456107 LKQKFFHTGMTMAP-HQJQHLMTSA-N 305.166 3.313 10 10 DGCE Oc1c(Br)cccc1CNC[C@H]1C[C@@H]1C(F)F 1997383362 MXMWSNSPHPWLRQ-BDAKNGLRSA-N 306.150 3.146 10 10 DGCE C[C@@H]1C[C@H](CN(C)c2cc(Cl)c(CN)cc2F)CCO1 2177381549 OJTXKCPWDWEBGF-GHMZBOCLSA-N 300.805 3.189 10 10 DGCE Cc1cccc([C@H](C)n2nccc2C(=O)OC(C)(C)C)c1O 2069973246 PNDUQLRKMJNBAX-LBPRGKRZSA-N 302.374 3.462 10 10 DGCE Oc1c(Cl)cccc1CNCc1cnn(C(F)(F)F)c1 2175134022 NIOCAHFELGPGJV-UHFFFAOYSA-N 305.687 3.008 10 10 DGCE CNCc1ccc(N2C[C@H]3CC=CC[C@H]32)c(Br)c1 2057018880 KBSQAERVEAGSNI-TZMCWYRMSA-N 307.235 3.323 10 10 DGCE CCC[C@@](CSc1nccs1)(NC1CC1)C(=O)OCC 2207862963 JCUWDGIVGXEFBZ-AWEZNQCLSA-N 314.476 3.089 10 10 DGCE CSc1ncc(CNC[C@@H](O)c2ccccc2Cl)s1 2208444412 SBQCRWODZCJFHJ-GFCCVEGCSA-N 314.863 3.342 10 10 DGCE Cn1c(C(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])cc(Cl)c1Cl 2225798625 JSFBWZOURLKRDR-JGVFFNPUSA-N 302.165 3.293 10 10 DGCE CNCc1ccc(N(C)CC2(F)CCOCC2)c(Cl)c1 2238278907 HKDKYNKVYOGUTH-UHFFFAOYSA-N 300.805 3.014 10 10 DGCE CO[C@H](CS(=O)(=O)CCCCN=[N+]=[N-])C1CCCCC1 2283996559 UQGOAXDIUVXSRU-CYBMUJFWSA-N 303.428 3.087 10 10 DGCE CO[C@H]1CC(C)(C)CC[C@@]1(Sc1nccs1)C(=O)O 2351875083 PWMMXYMWVVQBCE-ZANVPECISA-N 301.433 3.284 10 10 DGCE O=C1NC(=S)S/C1=C/Nc1cc(Cl)cc(Cl)c1 104987739 ISDHGDVYMFQGRG-XBXARRHUSA-N 305.211 3.395 10 10 DGCE O=C(O)/C=C\c1ccc(N2CCN(Cc3ccccc3)CC2)cc1 309737454 KIGWFQGOLDXKQB-FLIBITNWSA-N 322.408 3.107 10 10 DGCE COc1cc(N(C)Cc2ccc(F)cc2)c([N+](=O)[O-])cc1OC 301920140 KMJDYPODPFRWHI-UHFFFAOYSA-N 320.320 3.388 10 10 DGCE C[C@@H]1CN(c2ccc(CNC3CC3)cc2Cl)C[C@@H](C)N1C 127919287 QZFABMHGZLSMKF-CHWSQXEVSA-N 307.869 3.121 10 10 DGCE Cc1cc(C(=O)NCCCCCCO)c(C)n1-c1ccccc1 182216612 HKUIZOXMDPCQDV-UHFFFAOYSA-N 314.429 3.377 10 10 DGCE C[C@H](N[C@H](C)CN(C)Cc1ccccc1)c1ccc(O)cc1O 381054490 IDBQVIMJJNHXIX-CABCVRRESA-N 314.429 3.269 10 10 DGCE COCCCN1C(=O)/C(=C\c2ccc(C)s2)SC1=S 192691395 YZDPWOQDWGVCCE-DHZHZOJOSA-N 313.469 3.294 10 10 DGCE Cc1cc(Br)cc(CN2[C@H](C)COC[C@H]2C)c1O 180397106 AZZLFXKVPLKBPB-GHMZBOCLSA-N 314.223 3.072 10 10 DGCE C[C@@H]1CN(CCCCN[C@H](C)c2ccc(F)cc2O)C[C@@H](C)O1 248492652 JIRXXPYDRIDXPU-RBSFLKMASA-N 324.440 3.071 10 10 DGCE COC(=O)c1ccc(CNCc2c(O)ccc(Cl)c2F)cc1 809733565 ZGTJKYIIHZQNIH-UHFFFAOYSA-N 323.751 3.261 10 10 DGCE C[C@H](NC1(C(F)F)CC1)c1ccc(N2CCOCC2)c(F)c1 800503277 QTZOFEDYRISKFO-NSHDSACASA-N 314.351 3.111 10 10 DGCE COc1ccccc1N1CC[C@@H](N[C@H]2CCc3cccc(O)c32)C1 297608306 IJEATCXUEGJOFQ-CVEARBPZSA-N 324.424 3.257 10 10 DGCE CC[C@H](NC[C@H]1CC[C@H](C(N)=O)CC1)c1cccc(Cl)c1O 817585220 CRCVQWVBPRWMPF-HUBLWGQQSA-N 324.852 3.378 10 10 DGCE Cc1cccc(CN2CC(O)(c3ccc(Cl)cc3)C2)c1O 811509201 MISQQYOCEGJZCG-UHFFFAOYSA-N 303.789 3.057 10 10 DGCE CCN(CC(=O)OC)Cc1cc2oc3ccccc3c2cc1O 728709252 SLXKHWUOHYRROA-UHFFFAOYSA-N 313.353 3.287 10 10 DGCE CO[C@@H](CCNCc1cc(Cl)c(C)cc1O)C(F)(F)F 825651443 IRELGAHFXJVIJJ-LBPRGKRZSA-N 311.731 3.411 10 10 DGCE Cc1cc(O)c([C@@H]2CCN(C(=O)OC(C)(C)C)CCN2)cc1C 1952974214 ZWRANEBYCFUKPH-HNNXBMFYSA-N 320.433 3.281 10 10 DGCE C[C@@H](NCc1cc(Cl)ccc1O)[C@@H]1C[C@H](C(=O)O)C1(C)C 848640647 TUVUIQIOCSDIQR-JIMOISOXSA-N 311.809 3.271 10 10 DGCE CN1C[C@@H](CN[C@@H]2CCc3cccc(O)c32)[C@H](c2ccccc2)C1 842923971 MLUQKAFRHLGWEM-CEXWTWQISA-N 322.452 3.315 10 10 DGCE C[C@@H]1C[C@H](NCc2cc(Cl)cc(Cl)c2O)c2ncnn21 850352280 QYXZYWBWEHEYAH-HQJQHLMTSA-N 313.188 3.086 10 10 DGCE COc1ccc(N2CC[C@@H](NC[C@]3(C)CCCS3)C2)cc1 862407731 KZCRAWLAFSQDKW-PBHICJAKSA-N 306.475 3.149 10 10 DGCE Cc1cccc(-n2c(C)cc(C(=O)N3CCC(=O)[C@H](C)C3)c2C)c1 779538767 CISLXPVVZRBLJL-CQSZACIVSA-N 324.424 3.454 10 10 DGCE O=C(NCC1CCSCC1)c1cc2cc(O)c(O)cc2s1 896342390 OHQZRPPZDGPLNS-UHFFFAOYSA-N 323.439 3.186 10 10 DGCE CCO[C@H]1CCN([C@@H](C)c2cc(Br)ccc2O)C1 701662177 SRHCTZLOJGFXGW-JQWIXIFHSA-N 314.223 3.327 10 10 DGCE CCNCc1ccc(N2CC[C@@H]3C[C@H]3C2)cc1Br 711019904 XQVJPVFLFRWEII-YPMHNXCESA-N 309.251 3.405 10 10 DGCE CN1CCc2cc(CNC[C@H]3CCN3Cc3ccccc3)ccc21 716295817 CZFGXYSDCVNTEN-HXUWFJFHSA-N 321.468 3.043 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1C[C@H]2CCCN(C2)C1 717061519 NCXCRNQOWWQION-ZWNOBZJWSA-N 315.244 3.273 10 10 DGCE C[C@@H](N)c1ccc(N(CCO)C(C)(C)C)c(Br)c1 689945044 DRQWYSXZWNLXSP-SNVBAGLBSA-N 315.255 3.066 10 10 DGCE CN(Cc1cc(Cl)cc(Cl)c1O)C[C@H]1OCC[C@H]1F 2122536677 FCPXMTSFZKOVEQ-VXGBXAGGSA-N 308.180 3.258 10 10 DGCE C[C@@]1(N)CN(c2ccc(OCc3ccccc3)cc2)CC1(F)F 1900250915 OMJYLYCAZFJDAX-QGZVFWFLSA-N 318.367 3.438 10 10 DGCE COc1ccc(N2CCN([C@@H](C)CC(C)C)CC2)c(OC)c1 1197104624 IXFPVARJWYROBT-HNNXBMFYSA-N 306.450 3.260 10 10 DGCE CN(C(=O)/C=C\c1cn(C)cn1)c1c(Cl)cccc1Cl 1266441021 QFKIHYZKKKJNJX-SREVYHEPSA-N 310.184 3.403 10 10 DGCE CCC(=O)N[C@H](CNCc1ccc(OC)c(C)c1)C1CCCC1 1278216797 QAZRMTKSXRDXPR-QGZVFWFLSA-N 318.461 3.178 10 10 DGCE CNCc1ccc(N(Cc2ccccc2)[C@H](C)CCO)c(C)c1 1915425768 MBFNEONBBRWSSS-QGZVFWFLSA-N 312.457 3.492 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)[C@]23CCCC[C@H]2C3)cc1 1530904594 IUFZQDWJJVEJNK-KXBFYZLASA-N 316.445 3.170 10 10 DGCE CCC/C=C/[C@H](O)C(=O)NCc1cc(Cl)cc(Cl)c1O 1556884224 RQGPCRWBVDEQLW-ITKZLYELSA-N 318.200 3.032 10 10 DGCE CN[C@@H](C[C@@H](C)CNC(=O)OC(C)(C)C)c1ccccc1O 1928466756 FTTMHRUZCHPECJ-OCCSQVGLSA-N 308.422 3.204 10 10 DGCE CCN(C)c1ccc(CN2CC[C@H](O)[C@H]3CCCC[C@@H]32)cc1 1655401474 ZQHFDCXONAMVLD-FHWLQOOXSA-N 302.462 3.268 10 10 DGCE COc1ccc2cc(C(=O)Nc3ccc(N)cc3)c(C)nc2c1 160331874 ZFUIADAILLQQLP-UHFFFAOYSA-N 307.353 3.386 10 10 DGCE CN(C)[C@@H]1CCN(c2ccc(CNC(C)(C)C)cc2Cl)C1 164063587 PGLUIFZWGFIJBQ-CQSZACIVSA-N 309.885 3.368 10 10 DGCE CCOC(=O)[C@@H]1CCCN(/N=N/c2cc(C)ccc2OC)C1 1860486748 NJMXOWIFPOIPLZ-OYLHUBKDSA-N 305.378 3.277 10 10 DGCE CC(C)(C)OC(=O)N[C@]1(C)CCC[C@@H]1[C@@H](N)c1ccccc1O 1937394428 YVKHZSSDKBGYDL-QIIPPGSGSA-N 320.433 3.476 10 10 DGCE Nc1ccc(CN[C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)cc1 1944061262 GXDCYMOPFUUHFZ-HLAWJBBLSA-N 321.468 3.269 10 10 DGCE Nc1ccc(CNC2[C@H]3CC[C@H]2CN(Cc2ccccc2)C3)cc1 1949754608 LFIPNXALDMQJKH-OALUTQOASA-N 321.468 3.269 10 10 DGCE CC(C)(NCc1cccc(Br)c1O)[C@@H]1CCCO1 1967846592 NMISWIBVLTZMGZ-LBPRGKRZSA-N 314.223 3.202 10 10 DGCE C[C@H](CC[C@H](O)c1ccc(N(C)C)cc1)NC(=O)OC(C)(C)C 1977939966 UJJFKTIOLLUOBI-CJNGLKHVSA-N 322.449 3.479 10 10 DGCE CN(C)c1ccc([C@H](N)CCCCNC(=O)OC(C)(C)C)cc1 1977947024 ZNKNIDZKNRUQNP-MRXNPFEDSA-N 321.465 3.447 10 10 DGCE CN(Cc1cccc(Br)c1O)CP(C)(C)=O 1992338857 QFFRFLQNQRULOB-UHFFFAOYSA-N 306.140 3.167 10 10 DGCE [N-]=[N+]=N[C@@H]1CCN(Cc2ncc(Br)cc2Cl)C1 2012057720 UHWIWGXJKFDNPG-MRVPVSSYSA-N 316.590 3.382 10 10 DGCE O[C@H]1CCc2cc(N3C[C@H]4C[C@H]3CN4Cc3ccccc3)ccc21 2012704778 GKHXIFXTMUBSMO-DYXWJJEUSA-N 320.436 3.129 10 10 DGCE Cc1nnc(Sc2ncc(CNC(C)(C)C)s2)s1 2037789645 JAQIGOJDNJGASK-UHFFFAOYSA-N 300.478 3.342 10 10 DGCE Cc1cc(Br)cc(CN(C)[C@H]2CO[C@H](C)C2)c1O 401362731 CWLFZABXJRPGBV-ZWNOBZJWSA-N 314.223 3.072 10 10 DGCE O=C(O)[C@@]1(NC2CC2)CCC[C@H](CSc2nccs2)C1 403872226 LNXDMLTYNSBSKU-IINYFYTJSA-N 312.460 3.001 10 10 DGCE N[C@H]1CCCCCN(Cc2cc(Cl)cc(Cl)c2O)C1 709039004 QALBFKZIMPCNBD-LBPRGKRZSA-N 303.233 3.402 10 10 DGCE C[C@H](N(C)c1ccc([C@@H](C)N)cc1Br)C(C)(C)O 382814949 SGNPMIOICBREDC-ZJUUUORDSA-N 315.255 3.064 10 10 DGCE Oc1c(F)cccc1CNCc1coc(Br)c1 383244769 PVVXPNVIYIOOSB-UHFFFAOYSA-N 300.127 3.177 10 10 DGCE CCN(CC(F)F)c1ccc(CNC)c(Br)c1 386237431 RSTQCFUCZNQCRA-UHFFFAOYSA-N 307.182 3.260 10 10 DGCE Cc1ccc(O)c([C@H](C)NC2[C@@H]3CN(Cc4ccccc4)C[C@@H]23)c1 398297104 DVFHCJBUAUIMPE-KFKAGJAMSA-N 322.452 3.482 10 10 DGCE COc1cccc(O)c1[C@H](C)N[C@H]1COc2cc(F)ccc2C1 2064859768 KKJUYCBHGQLXSH-SMDDNHRTSA-N 317.360 3.194 10 10 DGCE COC(=O)c1cc(C2CCC2)nn1[C@@H](C)c1c(O)cccc1F 2069973678 XQJGYVVUWXCKPQ-JTQLQIEISA-N 318.348 3.391 10 10 DGCE CC[C@@H](c1ccc(C)cc1O)n1nc(C(C)(C)C)c(N)c1N 2079039457 GKZXATAZLJEYDU-LBPRGKRZSA-N 302.422 3.358 10 10 DGCE Cc1cc(O)c([C@H](C2CCC2)n2nc(C)c(N)c2N)cc1C 2079937200 VDEXNFNVYAWCRO-INIZCTEOSA-N 300.406 3.068 10 10 DGCE Cn1c(-c2ccc3c(c2)OCO3)cnc1NCc1ccccc1O 4678685 OCIOVNSGKNSLJX-UHFFFAOYSA-N 323.352 3.134 10 10 DGCE CN(CC(F)(F)C(F)(F)F)c1ccc(CO)cc1Cl 2113825436 GRMBIOCKILKOQW-UHFFFAOYSA-N 303.658 3.466 10 10 DGCE C[C@@H]1C[C@H]1N(C)c1ccc(C=CC(=O)O)cc1Br 2052757053 MPDNVQOFUZECAZ-NOZJJQNGSA-N 310.191 3.392 10 10 DGCE CC(C)(C)[C@H]1NCC[C@H]1Nc1c(N)cccc1Br 2072346000 PJPVZISMVHICST-YPMHNXCESA-N 312.255 3.220 10 10 DGCE Oc1ccc(CCNCc2ccc(Br)cc2)cc1O 2091757114 WXAVCMGRVWMRLO-UHFFFAOYSA-N 322.202 3.193 10 10 DGCE Cc1cc(CN(C)c2ccc([C@@H](C)N)cc2Br)on1 2114173143 PIISJZWAMOAEJX-SNVBAGLBSA-N 324.222 3.402 10 10 DGCE COCc1csc(CNCc2cnc(SC)s2)c1 2208517225 GVMHXHIKQAHPEI-UHFFFAOYSA-N 300.474 3.363 10 10 DGCE CCN(CCN=[N+]=[N-])C[C@H](O)c1ccccc1Br 2315993258 ZCOHPISPGXSALT-LBPRGKRZSA-N 313.199 3.115 10 10 DGCE CCCOC(=O)c1ccc(N=NN2C[C@@H](C)O[C@H](C)C2)cc1 2330159032 UYRXZRQQZSHBMC-CHWSQXEVSA-N 305.378 3.361 10 10 DGCE CN(C(=O)c1cc(Br)ccc1F)c1ccc(N)cc1 34939030 LTSQMXAQODFJNA-UHFFFAOYSA-N 323.165 3.447 10 10 DGCE C[C@H]1[C@@H](C)SCCN1c1ccc(CN)cc1Br 132161072 NXNLSPDBCQGNHB-VHSXEESVSA-N 315.280 3.238 10 10 DGCE CN1CCCc2cc(CN(CCCN)Cc3ccccc3)ccc21 379716624 LLLSTFIBLAJEDT-UHFFFAOYSA-N 323.484 3.420 10 10 DGCE CC[C@@H](NCc1ccno1)c1cc(Br)ccc1O 231882559 PBTPMCRCKMDDLF-GFCCVEGCSA-N 311.179 3.384 10 10 DGCE OCc1ccc(NCc2cc(Br)ccc2O)cc1 236502498 RMWKGWCXUYNUAW-UHFFFAOYSA-N 308.175 3.259 10 10 DGCE COc1ccc(CN2CCC[C@H](c3nccs3)C2)c(O)c1 92788973 HSCCWFOCQHWEGV-ZDUSSCGKSA-N 304.415 3.237 10 10 DGCE COc1ccc(C)cc1NC(=O)N(C(C)=O)c1ccc(N)cc1 243055848 IHOOOCNBNLJHIS-UHFFFAOYSA-N 313.357 3.171 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCOC[C@H]2C)cc1 278347812 AQJUIXWHDULERV-ACJLOTCBSA-N 312.413 3.249 10 10 DGCE COc1ccc(N2CC[C@H](N[C@@H]3CS[C@H](C(C)C)C3)C2)cc1 826845870 MNWHOEJFRVBRFD-MPGHIAIKSA-N 320.502 3.394 10 10 DGCE c1ccc(-n2cnc3c(Sc4nccs4)ncnc32)cc1 820635524 WBSIJQHBRXOYIX-UHFFFAOYSA-N 311.395 3.423 10 10 DGCE C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cc(O)cs1 732284635 VLIVAJRZAIAPIV-RISCZKNCSA-N 303.383 3.056 10 10 DGCE CCCN(c1ccc(CN)cc1)[C@@H]1C[C@H](OCC)[C@H]1SC 839055891 HMXIHUYZJHNQAX-IKGGRYGDSA-N 308.491 3.271 10 10 DGCE COC(=O)/C=C\c1ccc(N2CCC[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 742411295 NVZYBJBBGCQYDC-YKNITIARSA-N 318.373 3.406 10 10 DGCE COc1cccc(CNC(=O)N[C@@H]2CCCC[C@H]2C(C)C)c1O 745803667 RKYHMCHABSBDDY-LSDHHAIUSA-N 320.433 3.415 10 10 DGCE Cc1cc(O)c(CN2CCN(C(=O)CC(C)(C)C)CC2)cc1C 914569104 QMOWCXKEFALSFN-UHFFFAOYSA-N 318.461 3.089 10 10 DGCE CC1(C)[C@@H](CNCc2cc(Cl)cc([N+](=O)[O-])c2O)C1(F)F 850393383 BPRYUBZIXMQIOM-SNVBAGLBSA-N 320.723 3.335 10 10 DGCE O=C(NCCCSc1nccs1)N1CCC[C@@H]1C1CC1 759601343 IFUJPOPJRNPEIE-GFCCVEGCSA-N 311.476 3.209 10 10 DGCE CCOc1ccc(O)c(CN2CC[C@H](C(C)(C)C)[C@@H](O)C2)c1 757865457 GPKIGEWQFRMYRT-RDJZCZTQSA-N 307.434 3.020 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCCC3(C)C)C2)cc1 855223612 BKVXYFIYBNXOAA-RHSMWYFYSA-N 316.445 3.216 10 10 DGCE CCOC(=O)[C@H]1CCCN(Cc2cc(Cl)cc(C)c2O)C1 775632884 CTJZTOWBYYWIQB-LBPRGKRZSA-N 311.809 3.129 10 10 DGCE Cc1cc(C)c2c(c1)N(C(=O)/C=C\c1cncc(F)c1)CCO2 1130700047 OADDEIZIUBWAFB-ARJAWSKDSA-N 312.344 3.276 10 10 DGCE CN(C)c1ccc(CNC(=O)CC2CC(OC(C)(C)C)C2)cc1 792577118 GBRBKYBVLDZZKH-UHFFFAOYSA-N 318.461 3.353 10 10 DGCE CN1C[C@]23CCCC[C@]2(C1)CN(Cc1ccc(N(C)C)cc1)C3 1308171948 WYTAEAAVSYPOBQ-PMACEKPBSA-N 313.489 3.060 10 10 DGCE C[C@H](Cc1cccs1)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 1294431574 MRRYWGMRNJJXHO-WAFBPQNNSA-N 317.410 3.262 10 10 DGCE CN(C)c1ccc(CN(C[C@H]2CCCC[C@H]2O)C2CC2)cc1 1459354819 WXTJOFFMVFBWLA-VQIMIIECSA-N 302.462 3.268 10 10 DGCE COC(=O)/C=C/c1ccc(N2C[C@H](C)[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 1612509828 NGMRPFLRPUTNNY-XOGUKDBDSA-N 318.373 3.262 10 10 DGCE C[C@@H](NC(=O)c1cc2c([nH]1)CCCC2)c1ccc(N(C)C)cc1 1634447905 DAUHWOLYVRJUFM-CYBMUJFWSA-N 311.429 3.451 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)C(C)(C)c1ccccn1 1633339921 AARQQYBDUKDXQR-UHFFFAOYSA-N 311.429 3.050 10 10 DGCE CC(=O)c1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)ccc1C 1639244111 IPJROQBHWVDDKK-YVMONPNESA-N 311.337 3.261 10 10 DGCE C[C@@H](CCNC(=O)c1c(F)ccc(O)c1O)c1ccccc1 1648745806 VPYBXULCNNIYDY-NSHDSACASA-N 303.333 3.161 10 10 DGCE CC[C@@H](CN(CC)Cc1cc(Br)ccc1O)OC 1657431361 LKXZZYLKADHYAQ-ZDUSSCGKSA-N 316.239 3.402 10 10 DGCE CC[C@@H](NCc1ccc(N2CCOCC2)cc1)[C@@H]1CC1(C)C 1654775377 PEFWQIZOTAVPAM-ZWKOTPCHSA-N 302.462 3.438 10 10 DGCE CC(C)(C)OC(=O)N1CC2(CCCCN2CCCN=[N+]=[N-])C1 1962303885 JMYRQKHQCWBOPH-UHFFFAOYSA-N 309.414 3.162 10 10 DGCE CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(N)cc2)cc1 36283873 YPAWDAWTPRZOAF-UHFFFAOYSA-N 304.415 3.367 10 10 DGCE CSc1cccc(NC(=O)CNCc2cc(C)ccc2O)c1 1857857382 FNBYUBPXOZQZLQ-UHFFFAOYSA-N 316.426 3.151 10 10 DGCE CN1CCC12CC(CNCc1cc(Cl)cc(Cl)c1O)C2 1875867865 CNQFJGHQHVUVNI-UHFFFAOYSA-N 315.244 3.273 10 10 DGCE CC(=O)c1cc(Cl)cc(CN(C)OCC(F)(F)F)c1O 879513024 AGZVOWVXLPTUKX-UHFFFAOYSA-N 311.687 3.174 10 10 DGCE CC(C)(C)OC(=O)Nc1cccc([N+](=O)[O-])c1[C@@H](CO)N=[N+]=[N-] 1951355456 BXGOZCMJAVYZNB-SECBINFHSA-N 323.309 3.286 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1NCc1c(O)cccc1F 1976877502 PTYFWTJVLDHXBS-KGLIPLIRSA-N 324.396 3.067 10 10 DGCE COc1ccc(N(C)[C@@H](C)CCNC(=O)OC(C)(C)C)c(N)c1 1977961817 PDBROYUEWJBCBX-LBPRGKRZSA-N 323.437 3.017 10 10 DGCE Oc1c(Cl)cccc1CN1CCOC[C@@H]1CC(F)(F)F 2150471450 YUOWGDHWWPRMRB-JTQLQIEISA-N 309.715 3.199 10 10 DGCE NCc1ccc(N2CCS[C@H]3CC[C@H]32)cc1C(F)(F)F 2152201820 UKDBGHXNCPWUSL-OLZOCXBDSA-N 302.365 3.248 10 10 DGCE C[C@H]1CCO[C@H]1CN(C)Cc1ccc(Br)cc1O 2034985723 QMVQFAXFVQYYSN-HZMBPMFUSA-N 314.223 3.012 10 10 DGCE COC(=O)[C@@H](NCCN=[N+]=[N-])c1cc(Cl)c(Cl)s1 2037474065 ADGSEBHTTBEERT-ZETCQYMHSA-N 309.178 3.169 10 10 DGCE C[C@H]1CN(c2ccc(OC(F)(F)F)c(Cl)c2)CC[C@@H]1N 401286181 OGKDQWJJJUILPZ-KWQFWETISA-N 308.731 3.412 10 10 DGCE CN(C)c1ccc(C=C2C(=O)N(C)c3ccccc32)cc1[N+](=O)[O-] 2053515773 JRJVWCTXVIACFS-UHFFFAOYSA-N 323.352 3.178 10 10 DGCE CO[C@@H](CN(C)c1cc(Cl)c(CN)cc1F)C1CCC1 2177382790 FNCMIMDLHFXNNP-HNNXBMFYSA-N 300.805 3.189 10 10 DGCE C[C@H](Nc1cnn(C)c1Br)c1cc(F)ccc1O 694163979 CMLLEPDWCJBRKI-ZETCQYMHSA-N 314.158 3.200 10 10 DGCE Cc1ccc([C@@H](C)NCc2nn(C)cc2Br)c(O)c1 393354665 KSBZODPXEZYXRX-SNVBAGLBSA-N 324.222 3.047 10 10 DGCE COC(=O)c1cc(C2CC2)nn1[C@@H](C)c1c(O)cccc1F 2069960585 WOXAWDOEKMKFEO-VIFPVBQESA-N 304.321 3.001 10 10 DGCE Cn1ncc2cc(CNCc3ccc(Cl)cc3O)sc21 2175261377 GTWDZORDIVOINR-UHFFFAOYSA-N 307.806 3.284 10 10 DGCE CC[C@@H](c1ccc(OC)cc1O)n1nc(C)c(C(=O)O)c1Cl 2079972639 XTFRHQFECITXNZ-NSHDSACASA-N 324.764 3.257 10 10 DGCE Oc1ccc(Cl)cc1CNCC(F)(F)C1CCOCC1 2185381283 WIWBTWMQOHYYOV-UHFFFAOYSA-N 305.752 3.197 10 10 DGCE CC[C@@]1(N)CCCN(Cc2cc(Cl)cc(Cl)c2O)C1 2087766027 KPKFADDISRYVRW-CQSZACIVSA-N 303.233 3.402 10 10 DGCE CCN(Cc1ccccc1)Cc1ccc(N2CCNCC2)cc1 1204611487 OJEKIBYKHJZUTD-UHFFFAOYSA-N 309.457 3.118 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)c2cc(Cl)cc(Cl)n2)C1 2335599527 XGCHJKQIZZEYBE-ZETCQYMHSA-N 300.149 3.161 10 10 DGCE CC(C)n1cc(Cl)cc1C(=O)NCCc1ccc(N)cc1 63129679 ALXOJSBFFPKINZ-UHFFFAOYSA-N 305.809 3.277 10 10 DGCE CC[C@@H](c1cc(Br)ccc1O)N1CCC[C@@H](N)C1 217502882 IAVHJERMJFDJHK-YPMHNXCESA-N 313.239 3.029 10 10 DGCE Oc1ccc(Br)cc1CNC1CC2(C1)CC2(F)F 1328159409 WOHYCSOXIZTEGZ-UHFFFAOYSA-N 318.161 3.432 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)N1Cc2ccccc2C2(CC2)C1 187295878 KTFXEBDDJMUGSU-SOFGYWHQSA-N 321.376 3.185 10 10 DGCE O=C(c1ccsc1Cl)N1CCc2cc(O)c(O)cc2C1 2366909021 BVRPOYOJKCNJKB-UHFFFAOYSA-N 309.774 3.011 10 10 DGCE CSc1ncc(CN[C@]2(C(=O)O)CC[C@@H](C)[C@H](C)C2)s1 2371773114 JRWZOGFLMVCCRL-GPCCPHFNSA-N 314.476 3.234 10 10 DGCE Cc1ccc(S(=O)(=O)Nc2cccc(N(C)C)c2)cc1C 242989059 HSWJLEBOKDSZKN-UHFFFAOYSA-N 304.415 3.170 10 10 DGCE COc1ccc(CCCOC(=O)Nc2ccc(N)cc2)cc1 242892451 GMVCOWAWNBXZCP-UHFFFAOYSA-N 300.358 3.459 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)Cn1nc(C)cc1C 282504597 NVUICPRRMXPKNT-UHFFFAOYSA-N 315.417 3.034 10 10 DGCE Cc1cc(N(C)C)ccc1CNc1nccnc1OC(F)F 807976508 MTWIDOZSVZCEOJ-UHFFFAOYSA-N 308.332 3.065 10 10 DGCE Cc1cc(Cl)cc(CNCC[C@]2(O)C[C@H]3CC[C@H]2C3)c1O 814171997 ZSRUVPYFWPIQCB-JDFRZJQESA-N 309.837 3.385 10 10 DGCE CC1CCN(c2ccc(CNC(=O)NC[C@@H]3C[C@@H]3C)cc2)CC1 731049976 YWQKSTUXIMJVKI-RDJZCZTQSA-N 315.461 3.378 10 10 DGCE CCCN(CCC)c1ccc(CNC2(CC(=O)O)CC2)cc1 901482032 VSYJUNULJFXOCA-UHFFFAOYSA-N 304.434 3.410 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@H](C2CC2)C(C)(C)CO)cc1 835051855 AKVXMZSVGPMRDI-DUMMIQTOSA-N 302.462 3.153 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)NCCCC(C)(F)F 836504117 JHZQUORFOGUZEV-UHFFFAOYSA-N 313.392 3.296 10 10 DGCE CC[C@@H](CC(F)F)C(=O)NCc1ccc(N(C)C)c(F)c1 837377964 OGTKCGIBFBEMNF-NSHDSACASA-N 302.340 3.189 10 10 DGCE CCC[C@@H](C)[C@@H](CO)NCc1cc(Br)ccc1O 846016807 JTCOTISKRLTAQO-ZWNOBZJWSA-N 316.239 3.041 10 10 DGCE Cc1ccc([C@@H](C)N[C@@H]2CCCc3c2ccc(=O)n3C)c(O)c1 846216017 OVLCCZFHZOVROP-CZUORRHYSA-N 312.413 3.128 10 10 DGCE COc1ccc(O)c(CNC(=O)[C@H]2CCCC[C@H]2C2CC2)c1 843830280 FMHPWJSQZSOETN-HOTGVXAUSA-N 303.402 3.233 10 10 DGCE Cc1cc(C(=O)NCC[C@@H]2CC2(F)F)c(C)n1-c1ccccn1 857350892 WNKXHODHDQDUNK-CYBMUJFWSA-N 319.355 3.264 10 10 DGCE CCN(CC)c1ccc(CNCc2cc3n(n2)CCC3)cc1F 850128418 BHGOGMPZYPCQQT-UHFFFAOYSA-N 316.424 3.104 10 10 DGCE C[C@@H](NC[C@H]1C(C)(C)C1(F)F)c1cc([N+](=O)[O-])ccc1O 850550987 FXQPENNIUNFHNR-PELKAZGASA-N 300.305 3.242 10 10 DGCE COC(=O)/C=C\c1ccc(N2CCC3(CCC3)C2)c([N+](=O)[O-])c1 758470808 GBTCXCQEDJDVKA-XQRVVYSFSA-N 316.357 3.161 10 10 DGCE CCN(CC)c1ccc(CNC(=O)C2CC3(CSC3)C2)cc1 864926072 AFAOYBGECUVXJC-UHFFFAOYSA-N 318.486 3.292 10 10 DGCE COc1ccc2ccc(O)c(CN3CCO[C@@H](CCF)C3)c2c1 863318197 UMGYROIYLBURMH-HNNXBMFYSA-N 319.376 3.114 10 10 DGCE COc1cc(O)c(CN[C@H](C)CCc2ccc(C)o2)cc1OC 776220421 NGTHRBXNDQQJKJ-GFCCVEGCSA-N 319.401 3.422 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2C[C@H](C)O[C@@H]2C)cc1 1135946112 GJSPYKMHGBXHIZ-HDMKZQKVSA-N 318.461 3.305 10 10 DGCE [N-]=[N+]=NCCCNC(=O)CSc1nc2ccccc2s1 701300607 CJDCPQHWJOBMSF-UHFFFAOYSA-N 307.404 3.205 10 10 DGCE CO[C@H](C)CN(c1ccc(CN)cc1Br)C(C)C 708281834 MOFIPNBKYTVCOP-LLVKDONJSA-N 315.255 3.158 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)/C=C\C(C)(C)C)cc1 1144868390 ZXQLDHOZCOEBOC-QXMHVHEDSA-N 304.434 3.192 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@](C)(Nc2ccc(N)cc2)C1 1959365685 IBHPVBABBDZAQJ-QGZVFWFLSA-N 305.422 3.470 10 10 DGCE Cc1ccc([C@H](C)NCC2CN(Cc3ccccc3)C2)c(O)c1 716276356 CTNQLHRJEXMVJN-INIZCTEOSA-N 310.441 3.483 10 10 DGCE Cc1[nH]nc(O)c1NC(=O)Cc1cc(C)n(-c2ccccc2)c1C 1141578066 DVGRBSQIBGSCOM-UHFFFAOYSA-N 324.384 3.012 10 10 DGCE O=C(NCc1c(O)cccc1F)c1c(Cl)cncc1Cl 1303875757 NXZMPCJWIXEWQY-UHFFFAOYSA-N 315.131 3.163 10 10 DGCE COc1ccc(N(C)C(=O)c2ccc(N=NC(N)=O)cc2)cc1 1165216524 GKVLDLCRZILSBQ-UHFFFAOYSA-N 312.329 3.134 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)N[C@H](C)CC(C)C)cc1 1230707605 ZFEVLZRQUIKTIC-OAHLLOKOSA-N 321.465 3.207 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 1328161472 RVRURILYKLPBOJ-CWRNSKLLSA-N 301.434 3.049 10 10 DGCE [N-]=[N+]=NC1CN(C(=O)C=Cc2ccc(Br)s2)C1 1912160313 UIUQGXAQCQUEJX-UHFFFAOYSA-N 313.180 3.045 10 10 DGCE Cc1ccc(C[C@H](C)NC(=O)c2ccc(C)c(O)c2O)c(C)c1 1443955791 ZHJMZZHJYNVHAB-AWEZNQCLSA-N 313.397 3.384 10 10 DGCE Cc1cccc(-n2c(C)cc(CNC(=O)COC(C)C)c2C)c1 1287661525 VJIMHYIQBWQTIU-UHFFFAOYSA-N 314.429 3.444 10 10 DGCE O=C(Nc1ccc(F)cc1O)c1cc2cc(O)c(O)cc2s1 1457714343 IKJBHVXYHAVNDM-UHFFFAOYSA-N 319.313 3.410 10 10 DGCE CCCN(C)c1nnc(CC)n1Cc1ccc(N(C)C)cc1C 1614609920 IRSWWCYSLSLWHK-UHFFFAOYSA-N 315.465 3.109 10 10 DGCE C[C@@H](NC(=O)c1ccc(F)c(O)c1)c1ccc(N(C)C)cc1 1616842628 DSIZRVPMKIBYCT-LLVKDONJSA-N 302.349 3.088 10 10 DGCE Cc1noc(C(F)F)c1C(=O)NCc1cc(Cl)ccc1O 1639965835 QQYNZHWKZWWXES-UHFFFAOYSA-N 316.691 3.210 10 10 DGCE Cc1cc2occ(C(=O)NCc3cc(O)ccc3O)c2cc1C 1643881728 CINHMPYUVZLGCP-UHFFFAOYSA-N 311.337 3.391 10 10 DGCE O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccns1 1641997221 JJOQZVIRFNTVOE-UHFFFAOYSA-N 303.170 3.086 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@H]1c1ccc(F)cc1 1641050221 VPGZSMYTRKGXKY-GBVWOXPPSA-N 313.328 3.224 10 10 DGCE Cc1cc(F)ccc1[C@H](C)NC(=O)c1c(F)ccc(O)c1O 1654802979 CYEGRCFOGYLPSZ-VIFPVBQESA-N 307.296 3.175 10 10 DGCE CCC(C)(C)C(=O)N[C@H](C)CNCc1ccc(OC)c(C)c1 1669385269 QWNGNMWNKFAKAD-CQSZACIVSA-N 306.450 3.034 10 10 DGCE C[C@H](NC(=O)NCc1cccc(Cl)c1O)c1cccc(O)c1 1686298426 AFHDSLLFUDILOO-JTQLQIEISA-N 320.776 3.312 10 10 DGCE CCCN(CCC)c1ccc(CN2CCC(C(N)=O)CC2)cc1 158630746 WCUNRPRUCUPTQD-UHFFFAOYSA-N 317.477 3.010 10 10 DGCE CCN[C@H](c1ccccc1O)C1(N(C)C(=O)OC(C)(C)C)CC1 1936978207 YTTNRUZIAVFRSJ-OAHLLOKOSA-N 320.433 3.442 10 10 DGCE CC[C@H](NCCCNC(=O)c1cccs1)c1ccccc1O 156569314 MFJNIQOMZKKARS-AWEZNQCLSA-N 318.442 3.315 10 10 DGCE O=C(O)c1ccc(N=c2[nH]c3ccc(F)cc3s2)c(O)c1 1859858354 OISCUHRVQPCEKJ-UHFFFAOYSA-N 304.302 3.005 10 10 DGCE CN(c1ccc(CN)c(F)c1)C1CC(OCc2ccccc2)C1 1939603020 CJOMGOIYCUDNDR-UHFFFAOYSA-N 314.404 3.468 10 10 DGCE CCN(CC)c1ccc(CNCC(=O)N2CCCCCC2)cc1 1857866728 ZNGXXSUYYLNTPM-UHFFFAOYSA-N 317.477 3.025 10 10 DGCE CC(C)(NCc1c(O)cccc1Br)[C@@H]1CCCO1 1966040193 NVIDWBFLJGSYOK-ZDUSSCGKSA-N 314.223 3.202 10 10 DGCE Cc1ccc(O)c([C@H](C)N[C@H]2C[C@@H]2CNC(=O)OC(C)(C)C)c1 1973223468 XEJAAVPEFHDZOH-GUTXKFCHSA-N 320.433 3.264 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H]2CCN(CCCCN=[N+]=[N-])C[C@@H]21 1982246529 WIOVZLGRRBKBLS-KGLIPLIRSA-N 323.441 3.408 10 10 DGCE O=C(O)CCCN(Cc1ccccc1)Cc1ccc(F)cc1O 1994458727 XSQVYQIWLUWVKJ-UHFFFAOYSA-N 317.360 3.398 10 10 DGCE Nc1ccc(OCCC[S@@](=O)c2ccc(Cl)cc2)cc1 40960839 GKCORKHVVCXCOS-FQEVSTJZSA-N 309.818 3.499 10 10 DGCE CN(Cc1cc(Br)ccc1O)[C@H]1CCOC1(C)C 2036277930 AZMWMYVUIPMVHO-ZDUSSCGKSA-N 314.223 3.154 10 10 DGCE C[C@H]1C[C@@]1(C)CNCc1cc(Br)cc(F)c1O 715736865 IILRRBJKSAQABI-SDBXPKJASA-N 302.187 3.430 10 10 DGCE CN(C[C@H]1C[C@@]12CC2(F)F)c1cc(Cl)c(CN)cc1F 2177389460 UPFADYKNFLPZFA-NOZJJQNGSA-N 304.743 3.419 10 10 DGCE C[C@@H]1C[C@@H](N(C)Cc2cc(Br)ccc2O)[C@@H](C)O1 395069006 XRVLTYRNMKUVAT-GIPNMCIBSA-N 314.223 3.152 10 10 DGCE Cc1ccc([C@@H](C(C)C)n2nc(C3(C)CC3)c(N)c2N)c(O)c1 2079023853 VVDULQDTJRBMPM-OAHLLOKOSA-N 314.433 3.358 10 10 DGCE CCc1nn([C@H](C)c2cc(C)c(C)cc2O)c(Cl)c1CN 2079953590 XUGJDIIFXMZLOE-LLVKDONJSA-N 307.825 3.489 10 10 DGCE CC[C@@H](c1cc(C)c(C)cc1O)n1nc(C(C)C)c(N)c1N 2079956742 LBCRXBFOFCJNOR-ZDUSSCGKSA-N 302.422 3.493 10 10 DGCE Cc1cc(Br)cc(CN2C[C@H](F)C[C@@H](F)C2)c1O 2062335478 MNXNTAPHIPEJNW-VXGBXAGGSA-N 320.177 3.345 10 10 DGCE CC[C@H](NC1(C)CC(O)C1)c1cc(Br)ccc1O 2062363849 KPNRWXKFPIKIAO-KHJSKFAYSA-N 314.223 3.109 10 10 DGCE Cc1nc(Nc2ccc(N)cc2)c(Br)cc1[N+](=O)[O-] 2092800832 WVTVNDHFOXHLFY-UHFFFAOYSA-N 323.150 3.387 10 10 DGCE COc1ccc(N2CCN(Cc3ccccc3)[C@H](C)C2)c(C=O)c1 2214854412 RUPUDJSTGPUYGA-MRXNPFEDSA-N 324.424 3.218 10 10 DGCE CNCc1ccc(N(C)Cc2cnc(OC)s2)cc1Cl 2239979873 XVEKURAJBOYEJU-UHFFFAOYSA-N 311.838 3.161 10 10 DGCE C[C@H](CNC(C)(C)C)NCc1cc(Br)ccc1O 2256017341 RHRYOTDCIKIVMZ-SNVBAGLBSA-N 315.255 3.021 10 10 DGCE COc1cc(C=C2SC(N3CCCCC3)=NC2=O)ccc1C 2312107133 ZLCUWWPAWHEADT-UHFFFAOYSA-N 316.426 3.460 10 10 DGCE O=C(O)Cc1ccc(N=Nc2c(C(=O)O)nc3ccccn23)cc1 2320767737 MMUYMMSFJXJHNA-UHFFFAOYSA-N 324.296 3.075 10 10 DGCE CC(=O)N1CCN(N=Nc2ccc(Cl)cc2Cl)CC1 2330209903 MKPXAEJYZCYPSG-UHFFFAOYSA-N 301.177 3.156 10 10 DGCE CCCC1=NN(C)C(=O)C1=Cc1ccc(OCC)c(OCC)c1 2332106748 BOSSFNAGTZJBMN-UHFFFAOYSA-N 316.401 3.496 10 10 DGCE Cc1ccc(CN[C@H]2CCOC2(C)C)c(O)c1Br 2327799725 ZKQSHTDDEDRYAK-NSHDSACASA-N 314.223 3.120 10 10 DGCE Cc1ccc(CN[C@@H]2CC[C@H](C)OC2)c(O)c1Br 2327800308 ITIJXDOOCHICET-CMPLNLGQSA-N 314.223 3.120 10 10 DGCE CCCNC(=O)N(CC)Cc1cc(Br)ccc1O 174037978 PCZIKZRHVWBBFZ-UHFFFAOYSA-N 315.211 3.096 10 10 DGCE O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCCc2cccc(O)c21 170873025 VBPAXTWAFUKIBM-ZHACJKMWSA-N 324.336 3.293 10 10 DGCE Cn1nc(C(F)F)c(CNCc2ccccc2O)c1Cl 2365009171 AIXDASLLRAKTHV-UHFFFAOYSA-N 301.724 3.007 10 10 DGCE C[C@H]1CCN(C(=O)c2cccc(O)c2O)[C@@H]1c1cccc(F)c1 185784994 CAAUELNAGVXHRO-ZBEGNZNMSA-N 315.344 3.460 10 10 DGCE O=C(O)Cc1nc2c(O)cccn2c1/N=N\c1cccc(F)c1 71602095 DSMCECIHDSYGFC-HNENSFHCSA-N 314.276 3.222 10 10 DGCE CCC[C@@H](NS(=O)(=O)Cc1ccc(N)cc1)c1cccs1 49541452 VMMJPOXPTIFKAG-CQSZACIVSA-N 324.471 3.291 10 10 DGCE COc1cc(N(C)Cc2ncc(C3CC3)o2)cc(OC)c1OC 270473388 BPQPQCMOHFLUSB-UHFFFAOYSA-N 318.373 3.214 10 10 DGCE CCN(CC)c1ccc(CNC(=O)N[C@H]2CC[C@H]2C)cc1F 805094029 GKAAJAYKXUDWDG-DOMZBBRYSA-N 307.413 3.270 10 10 DGCE Cc1cc2c(cc1C)N(C(=O)/C=C\c1ccc(O)c(O)c1)CC2 804320769 VXHICWTZAZFGLJ-XQRVVYSFSA-N 309.365 3.317 10 10 DGCE COC(=O)[C@H](CC(C)C)N(C)Cc1ccc(N(C)C)c(C)c1 815120733 MNVKBCLKWQNUMX-KRWDZBQOSA-N 306.450 3.081 10 10 DGCE C[C@H](N[C@@H]1CCNC[C@@H]1C)c1ccc(N2CCCCC2)c(F)c1 817970767 DQZWUQGHIMECKJ-RLFYNMQTSA-N 319.468 3.465 10 10 DGCE COC[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2O)CC1 825321904 QNHZZSKUDBFFRP-LLVKDONJSA-N 301.789 3.433 10 10 DGCE CN(Cc1cccs1)c1ccc(CN2CCO[C@@H]3C[C@H]32)cc1 824426859 DSXLJFQHJLHRBQ-QZTJIDSGSA-N 314.454 3.358 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[C@@H]2C[C@H]2C1 827630134 FHNRHDCCYXMVMM-OWCLPIDISA-N 301.434 3.083 10 10 DGCE CC[C@H](N[C@@H]1CCCN2CCSC[C@@H]12)c1ccccc1O 903271146 JLWAOUQDGUZEES-XHSDSOJGSA-N 306.475 3.013 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1C[C@@H]1c1ccccc1 734527129 ZVHPKMQVVSVSRQ-RTBURBONSA-N 323.440 3.416 10 10 DGCE CN(C)CCCC(C)(C)NC/C=C\c1ccc(N(C)C)cc1 835055522 VLZDNKLVRQJUDB-CLFYSBASSA-N 303.494 3.476 10 10 DGCE COC(=O)/C=C\c1ccc(N(C)Cc2ccoc2)c([N+](=O)[O-])c1 918735639 KXWWIMMXYVSBQM-XQRVVYSFSA-N 316.313 3.010 10 10 DGCE Cc1cc(O)c([C@@H]2C[C@H](N)CN2C(=O)OC(C)(C)C)cc1C 1953030445 CJLIKRNUQXLMDQ-JSGCOSHPSA-N 306.406 3.018 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCOC(C)(C)C 746979878 WNLHZBQTJHWWHO-UHFFFAOYSA-N 321.465 3.099 10 10 DGCE CC(C)(/C=C\Cl)NC(=O)NCc1ccc(N2CC=CC2)cc1 919918363 MDBDLNMUOWQZIN-KTKRTIGZSA-N 319.836 3.393 10 10 DGCE COc1cccc([C@H](C)N[C@@H](C)Cc2c(C)nn(C)c2C)c1O 846143440 BTNFWBKSJXKJCA-RYUDHWBXSA-N 317.433 3.033 10 10 DGCE c1cncc([C@H]2C[C@H](NCc3ccc4c(c3)CCCO4)CCO2)c1 922162733 JAKIRSHFEQNBST-UYAOXDASSA-N 324.424 3.417 10 10 DGCE O=C(OCc1cc(F)cc2cccnc12)c1cccc(O)c1O 758557489 JDKXCHAZSUQHCR-UHFFFAOYSA-N 313.284 3.142 10 10 DGCE COC[C@@H](N[C@@H](C)c1cc(Cl)ccc1O)C1CCOCC1 850494743 XURQAPUUXAFVDH-XHDPSFHLSA-N 313.825 3.138 10 10 DGCE C[C@H](N[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c1c(O)cccc1O 394476293 AMAQXZUACAVHQV-UTUOFQBUSA-N 324.421 3.050 10 10 DGCE CCCOCCCNCc1ccc(Br)cc1O 691429074 ODJVLWVGFPREQB-UHFFFAOYSA-N 302.212 3.061 10 10 DGCE C[C@H]1CN(c2ccc(CNCC3(F)CC3)cc2F)C[C@@H](C)O1 792920245 RVORHSOFTDATCW-BETUJISGSA-N 310.388 3.031 10 10 DGCE Nc1ccc(CC(=O)Cc2ccc(Br)s2)cc1 166796097 XJHVRZRPHUSQOY-UHFFFAOYSA-N 310.216 3.447 10 10 DGCE C[C@H](NCc1nccn1Cc1ccccc1)c1ccccc1O 1659815701 RHVBHHBGSHNVJB-HNNXBMFYSA-N 307.397 3.488 10 10 DGCE c1cc(N2CCCCC2)ccc1CN[C@@H]1CCC2(C1)OCCO2 1178336624 MDHQOFOCYWDYIQ-QGZVFWFLSA-N 316.445 3.062 10 10 DGCE CNCc1ccc(N(Cc2ccccc2)[C@@H]2CCOC2)c(F)c1 1915462683 XEUOTLGUBRGKKF-QGZVFWFLSA-N 314.404 3.341 10 10 DGCE C[C@@H](NC(=O)CCc1nc2ccccc2o1)c1ccccc1O 1454792699 FFJSOZPVZPXQHD-GFCCVEGCSA-N 310.353 3.343 10 10 DGCE COc1ccc(Cl)cc1N(C)C(=O)/C=C(/C)c1cnccn1 1530894644 ZULNZGMAHWPIIV-FLIBITNWSA-N 317.776 3.205 10 10 DGCE COc1cc(CNCC(C)C)ccc1N1C[C@H](C)O[C@@H](C)C1 212668648 PJQGDBZAKQBMBT-GJZGRUSLSA-N 306.450 3.054 10 10 DGCE CN[C@H]1C(=O)Nc2cc(Sc3nccs3)c(Cl)cc21 118588406 ZVGUZCIPWQQKDY-SNVBAGLBSA-N 311.819 3.160 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1cnoc1C1CC1 1558554350 POTFBQZHPQFOOF-UHFFFAOYSA-N 308.337 3.341 10 10 DGCE COc1ccc(N2CCN(C[C@@H]3C[C@H]4CC[C@H]3C4)CC2)cc1F 1657763996 ZRILSNICUJQAIB-JYJNAYRXSA-N 318.436 3.393 10 10 DGCE Nc1ccc(OCC[S@@](=O)c2ccc(F)c(Cl)c2)cc1 123730278 WMZMKILELRMOFD-FQEVSTJZSA-N 313.781 3.248 10 10 DGCE CN(C)[C@H]1CCN(c2ccc(CNC(C)(C)C)cc2Cl)C1 164063457 PGLUIFZWGFIJBQ-AWEZNQCLSA-N 309.885 3.368 10 10 DGCE CC1CCN(c2ccc(CNC(=O)[C@@H]3CC[C@@H](C)O3)cc2)CC1 153426542 CKTNUNCRVHVDBF-QAPCUYQASA-N 316.445 3.107 10 10 DGCE CCCOC(=O)c1ccc(NN=NCCCn2ccnc2)cc1 1860489525 RBDWVXOHOLKVJY-UHFFFAOYSA-N 315.377 3.319 10 10 DGCE CCCC1=NN(CC)C(=O)/C1=C/c1ccc(O)c(OCC)c1 1865649918 LQJJXUDYYKGUSE-JLHYYAGUSA-N 302.374 3.193 10 10 DGCE CCOc1ccc(/C=C2/SC(=S)N(CC)C2=O)cc1OC 20608727 DZOKNYVRFCNNHJ-UKTHLTGXSA-N 323.439 3.315 10 10 DGCE Cc1ccc(O)c([C@H](C)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c1 1938278573 BFZWYDSILDDJNP-MELADBBJSA-N 320.433 3.407 10 10 DGCE Oc1c(Cl)cccc1CN[C@H]([C@H]1CCOC1)C(F)(F)F 2143639555 VFVKMZQBQNOVQL-JOYOIKCWSA-N 309.715 3.103 10 10 DGCE CN(C(=O)OC(C)(C)C)C1(CNCc2cccc(F)c2O)CC1 1988067109 XVAYUISSTQODPN-UHFFFAOYSA-N 324.396 3.020 10 10 DGCE CNCc1ccc(N2CC(C(F)(F)F)C2)cc1Br 2034850626 LPRWUXJOKKJAHV-UHFFFAOYSA-N 323.156 3.167 10 10 DGCE CCCN[C@](C)(C[C@@H](C)Sc1nccs1)C(=O)OCC 68639656 GKINSSPCGCXSMA-BXUZGUMPSA-N 316.492 3.335 10 10 DGCE C[C@@H]1O[C@H](C)[C@@H](NCc2cc(Br)ccc2O)[C@@H]1C 527805147 UIDKIXOQLDXLQB-PUXPGTEJSA-N 314.223 3.056 10 10 DGCE CCNCc1ccc(N2C[C@H]3CC[C@@H]3C2)cc1Br 688323567 VRKJTYRHCSOXHM-CHWSQXEVSA-N 309.251 3.405 10 10 DGCE CC(C)c1cc(C=O)n(Cc2c(O)cccc2Br)n1 2069976059 GEEJSOZWDUBPGQ-UHFFFAOYSA-N 323.190 3.335 10 10 DGCE Cc1cc(O)c([C@@H](C2CCC2)n2nc(C)c(C=O)c2N)cc1C 2079932026 ARCFOQJHBPJTSW-QGZVFWFLSA-N 313.401 3.298 10 10 DGCE CN[C@@]1(C(=O)O)C[C@@H](Sc2nccs2)CC2(CCC2)C1 2183538519 MXQNFEMPEBLYLP-HZMBPMFUSA-N 312.460 3.001 10 10 DGCE C[C@H]1CO[C@@H](CN(C)Cc2cc(Br)ccc2O)C1 2047506298 MEWPFWIJXDMLSM-ZWNOBZJWSA-N 314.223 3.012 10 10 DGCE C[C@H]1CC[C@H](CNCc2cc(Br)ccc2O)OC1 2053747335 HTFSPDNCKWNIQP-GXFFZTMASA-N 314.223 3.059 10 10 DGCE CN[C@@H](C)c1ccc(N(C)CC2(Br)CC2)c(F)c1 2076252058 CVDLYBYDHBTUHX-JTQLQIEISA-N 315.230 3.470 10 10 DGCE Cc1nn(C)c(Br)c1COc1ccc(N(C)C)cc1 2229370430 SHWXIIAQGKACKL-UHFFFAOYSA-N 324.222 3.136 10 10 DGCE CN(C)c1ccc(C=CCN(CCO)Cc2ccccc2)cc1 2297318207 CVLYLTKTMXXSRX-UHFFFAOYSA-N 310.441 3.260 10 10 DGCE COc1ccc(N(C)C(=O)C=Cc2cccnc2)cc1Cl 2298678680 WVMKBKCBKTUSGF-UHFFFAOYSA-N 302.761 3.420 10 10 DGCE Cc1ccc(CN[C@H](C)CCCCN)c(O)c1Br 2327632215 VXWMUUPSGOVNIZ-LLVKDONJSA-N 315.255 3.070 10 10 DGCE Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Sc1nccs1 52914304 DGJUXVCQVKKYQP-SECBINFHSA-N 323.399 3.479 10 10 DGCE CCCC1CCN(c2cc3c(cc2Cl)[C@H](N)C(=O)N3)CC1 118706187 NGFHERGYJRVUFV-HNNXBMFYSA-N 307.825 3.308 10 10 DGCE COCCNCc1cc(F)c(N(C)CCC(C)C)c(F)c1 62736954 IPLZOSUEYYCFGD-UHFFFAOYSA-N 300.393 3.183 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)c1ccncc1 66697466 DPDKWNSVARTAJH-AWEZNQCLSA-N 313.401 3.470 10 10 DGCE COc1ccc(O)c(CN2CCO[C@@H](c3ccsc3)C2)c1 180545314 LBHFOSONUSBWHQ-MRXNPFEDSA-N 305.399 3.036 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(Cl)c1N 316752335 UMCFAVQZGJIQCD-UHFFFAOYSA-N 317.820 3.260 10 10 DGCE CCOCCOCCSc1ncc(CN[C@H](C)CC)s1 2365618984 ZGSLFJHARDHTDL-GFCCVEGCSA-N 318.508 3.176 10 10 DGCE CCNCc1ccc(N2CC[C@@H](SC(F)F)C2)c(F)c1 2365713575 ZAIACDMGLQAVKS-LLVKDONJSA-N 304.381 3.470 10 10 DGCE C[C@H](CCNCc1ccc2c(c1)CCO2)NC(=O)OC(C)(C)C 222079620 MFNKNTHRXHHLDQ-CYBMUJFWSA-N 320.433 3.014 10 10 DGCE Oc1ccccc1CNc1cc(Br)nc(C2CC2)n1 229337864 MFJYZQJIVVNLII-UHFFFAOYSA-N 320.190 3.434 10 10 DGCE Cc1cc(Br)ccc1NCc1ccc(O)c(O)c1O 226763257 SCGCAOZNFVTRDA-UHFFFAOYSA-N 324.174 3.486 10 10 DGCE CCCN(CC)Cc1c(Br)ccc(OC)c1O 1231547404 FKGWRKJSEKVQPK-UHFFFAOYSA-N 302.212 3.395 10 10 DGCE CNCc1ccc(N2C[C@H]3C[C@H]2CN3Cc2ccccc2)cc1C 383927302 BBGCIWQANMQHFR-RTWAWAEBSA-N 321.468 3.178 10 10 DGCE C[C@H](N[C@@H]1C[C@H]2OCCC[C@@H]12)c1cc2c(cc1O)CCCC2 251853891 NTCZFLIMFJBCJR-FAAYRAOTSA-N 301.430 3.489 10 10 DGCE CN(C)c1ccc([C@H](O)c2sc(N(C)C)nc2Cl)cc1 2163070709 JANCNQPVXSBJDN-NSHDSACASA-N 311.838 3.010 10 10 DGCE Cc1cc(Cl)cc(CN2CCC3(CC2)OCCCO3)c1O 293512970 AIVGRRRQKPDNRA-UHFFFAOYSA-N 311.809 3.083 10 10 DGCE N[C@H](c1cccs1)c1ccc(Br)c(F)c1O 396451989 HJOFHVLFPDOUHJ-JTQLQIEISA-N 302.168 3.403 10 10 DGCE C[C@H](Nc1ncnc2c1ncn2C1CC1)c1ccc(N(C)C)cc1 814259614 UVMILGFVWDJJCR-LBPRGKRZSA-N 322.416 3.400 10 10 DGCE CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(F)(F)F 1952818162 BRUBVJXFLDQKTK-LLVKDONJSA-N 304.312 3.267 10 10 DGCE Cc1cc(CN[C@H]2CCOC[C@H]2C)ccc1N1CCCCC1 829244337 WMUBNPZUFKRKBX-AEFFLSMTSA-N 302.462 3.500 10 10 DGCE CCN(CC)c1ccc(CN(C)Cc2cnn3c2CCC3)cc1 824542170 PKRFUWZBFQKROW-UHFFFAOYSA-N 312.461 3.308 10 10 DGCE COc1ccc(N2CC[C@H](N[C@@H]3CS[C@@H](C(C)C)C3)C2)cc1 826845871 MNWHOEJFRVBRFD-RLFYNMQTSA-N 320.502 3.394 10 10 DGCE CC(C)(C)OC(=O)N[C@H](c1cc(N)ccc1O)C(F)(F)F 1952963957 JHUTVZGHKQSNQV-SNVBAGLBSA-N 306.284 3.103 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CCO[C@@H](C3CCC3)C2)c1O 839622348 BUZVSDISEGUJNU-MRXNPFEDSA-N 323.820 3.249 10 10 DGCE C/C=C\c1ccc(OCC(=O)Nc2ccc(N)cc2)c(OC)c1 746479323 RWDCXENWPYLYSC-ARJAWSKDSA-N 312.369 3.328 10 10 DGCE CCOc1ccc(O)c(CN[C@H](C(C)C)C2(CO)CC=CC2)c1 843433424 YFAPFXCDKPVLBG-GOSISDBHSA-N 319.445 3.234 10 10 DGCE CCN(CC)c1ccc(CN[C@@H]2CCC[C@H](CO)C2)cc1F 840977466 IEFPOZPWLDLNRH-JKSUJKDBSA-N 308.441 3.313 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CC12CCCC2 758790767 OGGFSNIQJYPOPX-INIZCTEOSA-N 301.434 3.193 10 10 DGCE CC[C@H](NC[C@H](OC)[C@H]1CCOC1)c1cc(Cl)ccc1O 850484264 FYGLXESRPKOLPD-PJODQICGSA-N 313.825 3.138 10 10 DGCE COc1cccc(O)c1CNCC(F)(F)c1ccc(F)cc1 850400361 BPQRZUCXTKMAFB-UHFFFAOYSA-N 311.303 3.422 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)OCCc1cccc(F)c1F 759589298 QZDIMTSZZOZMJG-FNORWQNLSA-N 320.291 3.175 10 10 DGCE CC(=O)NCCCCCN(Cc1ccccc1O)C1CCCC1 929634860 JGMKPTUVSSMEEH-UHFFFAOYSA-N 318.461 3.443 10 10 DGCE CCc1ncc(CN[C@@H]2CCN(c3ccc(OC)cc3)C2)s1 850347115 NQXHQXZWIAJPGR-CYBMUJFWSA-N 317.458 3.083 10 10 DGCE CCCNC[C@H]1CCN1c1ccc(OC)c(Br)c1 696377667 QKDDAJWCGCAYQQ-GFCCVEGCSA-N 313.239 3.036 10 10 DGCE COCCN(CCF)C(=O)c1ccc(-n2c(C)ccc2C)cc1 855589589 OAFLTXUEMYSZSS-UHFFFAOYSA-N 318.392 3.152 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CCCCCC(=O)C1 935945519 ANAMXQHXAKDRFC-CYBMUJFWSA-N 324.417 3.034 10 10 DGCE COc1cc(O)c(CN2CCc3cc(F)c(F)cc32)cc1OC 768465414 LNFVJXOPHOQABB-UHFFFAOYSA-N 321.323 3.250 10 10 DGCE Cc1ccc(O)c([C@@H](C)NCCc2cn(C)c3ncccc23)c1 866572628 DDSUUZVETUOSHS-CQSZACIVSA-N 309.413 3.481 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2[C@H]3CC[C@H]2[C@@H](C)C(=O)C3)c1O 879277674 GTOGLAQVUJMQBK-DVJZZOLTSA-N 321.804 3.190 10 10 DGCE Cc1cncc(/C=C\C(=O)N2CCOc3ccc(Cl)cc32)c1 772152439 QXDFRSRBSDAWRP-DJWKRKHSSA-N 314.772 3.482 10 10 DGCE CCc1c(C(=O)N2Cc3cccc(O)c3C2)cnn1C(C)(C)C 871200854 KPJHGPQJZKMZLU-UHFFFAOYSA-N 313.401 3.062 10 10 DGCE FC(F)(F)c1cnc(CNCc2ccc3c(c2)CCO3)s1 788509863 SFSWSLUXVUUBAH-UHFFFAOYSA-N 314.332 3.387 10 10 DGCE Oc1ccc(Cl)c(F)c1CNc1cnn(-c2ccncc2)c1 790955154 KPMWHMVYESVRQD-UHFFFAOYSA-N 318.739 3.378 10 10 DGCE Cc1cccc(Cl)c1NS(=O)(=O)Cc1ccc(N)cc1 90535444 RCZMOQTXOKCZIA-UHFFFAOYSA-N 310.806 3.173 10 10 DGCE O=C(N[C@H](CF)c1ccc(F)cc1)N1Cc2cccc(O)c2C1 1313182753 DHINISSSMDNATJ-OAHLLOKOSA-N 318.323 3.267 10 10 DGCE CC(=O)C(=O)COC(=O)[C@H](CC(C)C)c1ccc(Cl)cc1 1327148424 LWWITLXUVGYVFE-CQSZACIVSA-N 310.777 3.171 10 10 DGCE COc1ccc(CNCC[C@H](C)NC(=O)[C@H]2CC2(C)C)cc1C 1320388389 VFRICPZQXZMSJR-GOEBONIOSA-N 318.461 3.034 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)NC1C[C@H]2[C@H](C1)C2(F)F 1350536120 PTIANFDWBIOGQC-KBPBESRZSA-N 324.371 3.358 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCCN(S(=O)(=O)C2CCCCC2)C1 1912162596 XXXGQOLGNJSXGX-GFCCVEGCSA-N 300.428 3.061 10 10 DGCE CC(C)NCc1ccc(N2CC(F)C2)cc1Br 1917016100 FDLOVYLCQRMDOZ-UHFFFAOYSA-N 301.203 3.105 10 10 DGCE CCC[C@@H]1CCCC[C@H]1CNC(=O)Cc1ccc(O)c(O)c1 1451454811 GWIDSQFTTLDBKW-CABCVRRESA-N 305.418 3.363 10 10 DGCE c1cc2c(cc1CN[C@@H]1CCCN3CCCC[C@H]13)CCCO2 1461608275 UVJINHDJJFXWNA-QZTJIDSGSA-N 300.446 3.118 10 10 DGCE CC[C@](C)(NC(=O)OC(C)(C)C)[C@@H](NC)c1ccccc1O 1928465192 MTYMTKXBYBWSSN-YOEHRIQHSA-N 308.422 3.346 10 10 DGCE COc1ccc(CN[C@@H](C)[C@@H](C)NC(=O)CC2CCC2)cc1C 1674647008 MMLJLOIMLYGMNF-LSDHHAIUSA-N 318.461 3.177 10 10 DGCE CN(Cc1cccnc1)c1ccc(/C=C/C(=O)O)cc1Cl 164352521 ZASIDUGKQMOFFZ-FNORWQNLSA-N 302.761 3.469 10 10 DGCE COc1cc(C)c2nc(C(=O)Nc3ccc(N)cc3)cc(O)c2c1 1866509194 PMVIZZFTLNMVHA-UHFFFAOYSA-N 323.352 3.092 10 10 DGCE COc1ccc(Br)c(CNCC2CCC2)c1O 1964035841 NYRQMTWKBHNSQU-UHFFFAOYSA-N 300.196 3.053 10 10 DGCE C[C@H]1CN(c2ccc(N)cc2)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 1977931207 FXKVPKHOWFMNJY-UONOGXRCSA-N 319.449 3.351 10 10 DGCE CCN(CCc1ccc(N)cc1)C[C@H](C)NC(=O)OC(C)(C)C 1977925560 LOAWHLKGHCMHGK-AWEZNQCLSA-N 321.465 3.046 10 10 DGCE Oc1cccc(Br)c1CNC[C@@H]1C[C@@H]1C(F)F 1997384395 YMUATYVNTGXRAW-YUMQZZPRSA-N 306.150 3.146 10 10 DGCE OCc1ccc(N2CCS[C@H]3CC[C@@H]32)c(C(F)(F)F)c1 2152207724 RSSAWJJVZIKYAQ-STQMWFEESA-N 303.349 3.282 10 10 DGCE COC(=O)[C@@](C)(CCCCSc1nccs1)NC(C)C 45596032 MHRJEVNNESVOGG-CQSZACIVSA-N 316.492 3.335 10 10 DGCE CN(C[C@@H]1CC1(F)F)c1ccc(CN)c(Br)c1F 2036086726 DMALOHKLTDRORW-QMMMGPOBSA-N 323.156 3.138 10 10 DGCE CNC1CCN(c2ccc(OC(F)(F)F)c(Cl)c2)CC1 401257514 KJUASERMEKGYFL-UHFFFAOYSA-N 308.731 3.427 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)Cc1cccc(Br)c1 692826400 FZTLKOYLSLZLSB-LBPRGKRZSA-N 323.194 3.293 10 10 DGCE CCOC(=O)c1cnc(Sc2ccc([N+](=O)[O-])cc2)s1 383728591 XWUWFSOWLOXMLS-UHFFFAOYSA-N 310.356 3.379 10 10 DGCE Cc1cccc(O)c1CN[C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 877690662 SICXAXJVQJDYQW-ZDUSSCGKSA-N 320.433 3.046 10 10 DGCE C[C@@H](N)c1ccc(N2CCS[C@@H]3COCC[C@H]32)c(Cl)c1 2170487711 SCLHNDVWFUFKTP-VCTAVGKDSA-N 312.866 3.070 10 10 DGCE CN(CP(C)(C)=O)c1c(F)cc(C=CC(=O)O)cc1F 2198576493 SFPDKDBYIRTIIM-UHFFFAOYSA-N 303.245 3.079 10 10 DGCE CCc1cc(CNCc2cc(Cl)cc(Cl)c2O)n(C)n1 2192426857 NEIUCABUSMKWHX-UHFFFAOYSA-N 314.216 3.285 10 10 DGCE CNCc1ccc(N(C)Cc2ocnc2C)c(Br)c1 2105603678 FHUJRGLYWAIMBD-UHFFFAOYSA-N 324.222 3.101 10 10 DGCE CSc1ncc(CNC[C@H]2CCCCC[C@H]2CO)s1 2269314269 SENCTJXDWDTHRB-NEPJUHHUSA-N 300.493 3.143 10 10 DGCE CC[C@@]1(C)CN(c2ccc(OC)cc2Br)CCN1 2221629552 YMTLRHZVJTYRQI-AWEZNQCLSA-N 313.239 3.036 10 10 DGCE COc1ncc(CN(C)c2ccc([C@H](C)O)c(Cl)c2)s1 2239980113 GBRQPUIPFHQMLM-VIFPVBQESA-N 312.822 3.495 10 10 DGCE Cc1cc([C@H](C)N)ccc1N1CCS[C@H](C(F)(F)F)C1 2240841038 BIVKSQMVEJCVDN-GWCFXTLKSA-N 304.381 3.499 10 10 DGCE Cc1cccc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c1 2293039138 HPVZWVXLAUKQBS-UHFFFAOYSA-N 321.423 3.061 10 10 DGCE COc1ccc(C2=CC(=Cc3ccccn3)C(=O)O2)c(OC)c1 2297617215 GCZJRXKVENLXIP-UHFFFAOYSA-N 309.321 3.080 10 10 DGCE CNCc1ccc(N2C[C@@H]3C[C@H]2[C@@H]2C[C@H]32)c(Br)c1 2308722630 NNQXWIGEFAVCSY-YFCNSXCBSA-N 307.235 3.013 10 10 DGCE Cc1ccc(CN(C)Cc2[nH]cnc2C)c(O)c1Br 2352656669 LSLMYKCOXCBANC-UHFFFAOYSA-N 324.222 3.127 10 10 DGCE Nc1ccc(OC[C@@H](O)CSc2ccc(F)cc2F)cc1 51328468 VAPQUDFWDGCKKS-GFCCVEGCSA-N 311.353 3.079 10 10 DGCE CC[C@@H]1CN(c2ccc([C@H](C)N)cc2Br)CCO1 103960694 FDBADKGHPBHIBJ-CMPLNLGQSA-N 313.239 3.084 10 10 DGCE CC[C@H](NC(=O)NCc1cc(OC)ccc1O)c1cccs1 114590548 DVOCHHGZIYTJEL-ZDUSSCGKSA-N 320.414 3.413 10 10 DGCE CNC[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CC12CC2 2366017666 PAZCXFQCHVYQRZ-NSHDSACASA-N 315.244 3.130 10 10 DGCE C[C@@H](NCC1(C)OCCCO1)c1cc2c(cc1O)CCCC2 190652144 HKMBEESPJXCPFZ-CYBMUJFWSA-N 305.418 3.075 10 10 DGCE CCCn1ncc(Cl)c1[C@@H](NC)c1ccc(N(C)C)cc1 97423000 UXAGKZQHLVDZSZ-HNNXBMFYSA-N 306.841 3.321 10 10 DGCE Cc1cccnc1CNC(=S)Nc1ccc(N)c(Cl)c1 243730874 PTKUYHUKKYXRKA-UHFFFAOYSA-N 306.822 3.112 10 10 DGCE CCOc1ccc(O)c(CN2CCCC[C@@H](CCOC)C2)c1 368673628 IIWJDMGVDVEVQE-HNNXBMFYSA-N 307.434 3.430 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCCC1(F)F 806822294 ZAJOQCWZULJQEH-CQSZACIVSA-N 311.376 3.048 10 10 DGCE Oc1ccc(Cl)cc1CN[C@H]1COc2ccc(F)cc2C1 808452611 MLUGUNGOJAMEMI-CQSZACIVSA-N 307.752 3.278 10 10 DGCE Nc1ncc(F)cc1OCc1cc(Br)cs1 723401540 RZBPMKUYYJIDTE-UHFFFAOYSA-N 303.156 3.206 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H]3CCCC[C@@H]32)cc1 824004560 OKAFWHKUYPKPLQ-FZMZJTMJSA-N 300.362 3.254 10 10 DGCE C[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)C1CCCCC1 837589238 XLXPFYSAEMZASM-ZJNQMXKESA-N 318.369 3.192 10 10 DGCE C[C@H]1CC2(CCOCC2)CN1Cc1cc2c(cc1O)CCC2 842638191 XAKAVJOYODEBDT-AWEZNQCLSA-N 301.430 3.272 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)NC[C@]1(C)CCCCO1 927195033 QYBRTJLHXMFEST-SFHVURJKSA-N 320.433 3.273 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@@H](C)CC3(OC)CCC3)C2)cc1 850489913 XXIAQRVYUOXIKQ-JKSUJKDBSA-N 318.461 3.211 10 10 DGCE C[C@@H]1C[C@H](NCc2cccnc2N(C)C)c2c(O)ccc(F)c21 756411427 PWYABHGDRARBPF-RISCZKNCSA-N 315.392 3.330 10 10 DGCE O=[N+]([O-])c1cc(CN[C@@H]2[C@H]3CCC[C@H]32)ccc1N1CCCCC1 850393902 YDNAMPSTSMCQNF-HWWDLCQESA-N 315.417 3.473 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)NC[C@]23CCCC[C@@H]2C3)cc1 927432002 VDFBSNGCPPJEDW-MLGOLLRUSA-N 300.362 3.159 10 10 DGCE OC1CCN(c2ccc(CN[C@H]3CCCC34CC4)cc2)CC1 850569145 VJPJRJIVEDFMLK-SFHVURJKSA-N 300.446 3.070 10 10 DGCE COc1ccc(N(C)[C@@](C)(CN)COCc2ccccc2)cc1 699400109 DBDVMYOZDZBFBQ-IBGZPJMESA-N 314.429 3.066 10 10 DGCE COc1ccc(N2CC[C@@H](NC3CCC(F)(F)CC3)C2)cc1 850346052 BOWJDALIFKNFCK-CQSZACIVSA-N 310.388 3.441 10 10 DGCE COc1cc(CN2CCO[C@@H](C3CC3)C2)c(O)c(C(C)(C)C)c1 776773616 UDIPIRLXDZGEQS-QGZVFWFLSA-N 319.445 3.309 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)Cc1ccsc1C 786987058 DUICYOUMZZEHTR-UHFFFAOYSA-N 302.443 3.290 10 10 DGCE COCCN(Cc1cc(C)c(C)cc1O)Cc1scnc1C 787311681 YEEGDRLBYJPHPB-UHFFFAOYSA-N 320.458 3.423 10 10 DGCE C[C@H]1C[C@@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)CCO1 1124621111 CAZKKVGFEJBIGA-RDJZCZTQSA-N 316.445 3.060 10 10 DGCE Cc1cnc(F)cc1C(=O)NCc1c(O)ccc2c1CCCC2 896691725 MDXMVGDOAKJMJY-UHFFFAOYSA-N 314.360 3.044 10 10 DGCE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NCc1cccc(F)c1O 389837856 LINHCLJMTLPWJB-KDOFPFPSSA-N 314.404 3.141 10 10 DGCE CC1(C)SC[C@H]1NCc1cc(Br)ccc1O 390610834 FBSOZVJLNFSNFC-LLVKDONJSA-N 302.237 3.138 10 10 DGCE CCCN(CCC)c1ccc(CN(CC)[C@H]2CCNC2=O)cc1 799737896 QBSWSLHNWREMKC-SFHVURJKSA-N 317.477 3.023 10 10 DGCE O=C(NCc1cccc(Cl)c1O)N[C@@H]1C[C@H]1c1ccsc1 896008281 HRZNLKMWDIVLRF-WCQYABFASA-N 322.817 3.462 10 10 DGCE CC/C=C(\C)C(=O)N(C)[C@H](C)CNCc1ccc(OC)c(C)c1 1319428285 GZIFNQWCRQHUKN-FCONWMNKSA-N 318.461 3.296 10 10 DGCE COc1nc(C)cc(N[C@@H](C)Cc2ccc(N(C)C)cc2C)n1 1186729932 JMAJTXJGVOIMJG-ZDUSSCGKSA-N 314.433 3.211 10 10 DGCE Cc1ccc(O)c(CNC(=O)N[C@H](CF)c2ccc(F)cc2)c1 1254461949 KLZBVHJFLWTBEW-OAHLLOKOSA-N 320.339 3.350 10 10 DGCE CC(C)(C(=O)NCCCSc1nccs1)C(F)(F)F 1345941905 IEVQSBYAIVQMER-UHFFFAOYSA-N 312.382 3.330 10 10 DGCE CCO[C@H](CC)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1356256102 OFSDHCDIYOFGMC-QGZVFWFLSA-N 304.434 3.060 10 10 DGCE CO[C@@H](CC(C)C)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1352615655 RVTUAOVBJHQLBS-SFHVURJKSA-N 318.461 3.306 10 10 DGCE Cc1nc(Cl)nc(Cl)c1CCN1CC[C@@H](CN=[N+]=[N-])C1 1912180580 CPJNPMVBCZFTRP-VIFPVBQESA-N 315.208 3.267 10 10 DGCE [N-]=[N+]=N[C@@H]1CCN(C(=O)c2cscc2Br)C1 1912159905 ODXWOJDKOSEINM-ZCFIWIBFSA-N 301.169 3.035 10 10 DGCE CN(c1ccc(CNC(=O)[C@H]2C[C@@H]2F)cc1)C1CCCCC1 1464544272 XIBPVAZTUURLPN-IRXDYDNUSA-N 304.409 3.430 10 10 DGCE CC(C)c1cc(C(=O)NCc2c(O)ccc3ccccc23)nn1C 1472084901 GVEQLICYQCNKOI-UHFFFAOYSA-N 323.396 3.332 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)N[C@@H]2CO[C@H](C)C2)c1 1557342035 XQTJVBOUVVMCJG-CVEARBPZSA-N 312.413 3.310 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)[C@@H](F)C(F)(F)F 1639387507 MPFIPNKNDCXUQH-GFCCVEGCSA-N 301.239 3.062 10 10 DGCE Cc1cccc(CNCc2ncccc2Br)c1O 1927136701 RRGKHLNLHAMDKT-UHFFFAOYSA-N 307.191 3.148 10 10 DGCE Cc1cc(CNC(=O)c2cc(N)ccn2)c(C)n1-c1ccccc1 1648611736 NQRCMGZHZCJFRM-UHFFFAOYSA-N 320.396 3.001 10 10 DGCE C[C@@H](NC(=O)c1ccc(-c2cnn(C)c2)cc1)c1ccccc1O 1648889575 BWRNFHMKDJNERK-CYBMUJFWSA-N 321.380 3.284 10 10 DGCE CN[C@@H](c1ccccc1O)[C@@](C)(NC(=O)OC(C)(C)C)C1CC1 1936969418 CDVXDJCTQQVDLN-YJBOKZPZSA-N 320.433 3.346 10 10 DGCE c1ccc(CO[C@H]2CC[C@@H]2NCc2ccc3c(c2)CCO3)cc1 1939571202 QMHWDBSZKNFZLD-ICSRJNTNSA-N 309.409 3.459 10 10 DGCE CCN(CC[C@@H](N)c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C 1977945211 MIENQRGZESRLFT-MRXNPFEDSA-N 321.465 3.400 10 10 DGCE CC(C)(C)OC(=O)NC[C@@]1(C)CCCN1Cc1ccc(N)cc1 1985874111 ROVCNDLLJFVDBK-GOSISDBHSA-N 319.449 3.148 10 10 DGCE CCN1CC[C@H](CNCc2cc(Cl)cc(Cl)c2O)C1 37644073 XJYGRUUNUPDMPC-SNVBAGLBSA-N 303.233 3.130 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCN(Cc2cc(Br)sn2)C1 1994460019 PVMUQZLKVNAIGI-ZETCQYMHSA-N 302.201 3.038 10 10 DGCE CNCc1ccc(N(C)C2CC(F)(F)C2)c(Br)c1 2029176664 DRZRURLTEPOOGP-UHFFFAOYSA-N 319.193 3.402 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CC[C@H](C(F)F)C2)c1O 707170245 IEOWJHLWPBRZFV-VIFPVBQESA-N 303.736 3.335 10 10 DGCE COc1ccc([C@H](C)NCCSCC(F)(F)F)c(O)c1 698960076 VAYGJQLMVYJTNR-VIFPVBQESA-N 309.353 3.347 10 10 DGCE C[C@H](Nc1ncnc(F)c1Br)c1ccccc1O 1472856226 MYRXQDUVCGTRLZ-ZETCQYMHSA-N 312.142 3.257 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@H]32)cc1Br 2053728613 AIXKTMRTEGKNPP-OVBBIOHJSA-N 308.219 3.347 10 10 DGCE CCC[C@H]1C[C@@H](NCc2cc(Br)ccc2O)CO1 2065791986 RFEIVRVPMIVVEB-OLZOCXBDSA-N 314.223 3.202 10 10 DGCE CCCN1CCC([C@H](C)NCc2cnc(SC)s2)CC1 2284691143 SALSKFHJXORPKT-LBPRGKRZSA-N 313.536 3.465 10 10 DGCE Cc1nc2cc(CO)ccn2c1N=Nc1cccc(C(=O)O)c1 2295926605 MTMZCZIAZSIHOM-UHFFFAOYSA-N 310.313 3.249 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)Nc1cc(F)c(F)c(F)c1 2308001623 ZXRSDCRQSZCWND-UHFFFAOYSA-N 309.243 3.167 10 10 DGCE CN(Cc1ccc(Br)cc1O)C[C@H]1C[C@H](F)C1 2307411952 MTNHQRYAKYKIDY-OTCDBFHCSA-N 302.187 3.335 10 10 DGCE CCC[C@H]1CCOCC[C@]1(Sc1nccs1)C(=O)O 2351878338 OUWDXUKVFNRBOC-GXFFZTMASA-N 301.433 3.285 10 10 DGCE Cc1ccnc(NCc2ccc(C)c(Br)c2O)c1N 2352620296 ONZOYXSWSSVMRY-UHFFFAOYSA-N 322.206 3.361 10 10 DGCE Cc1ccc(CNC(=O)[C@H]2C[C@@H]3C[C@@H]3C2)c(O)c1Br 2352643786 SGDRSDQQJOTDGW-ZSBIGDGJSA-N 324.218 3.125 10 10 DGCE COc1ccc2c(c1)NC1(CCCC1)CN2C[C@H](C)C(N)=S 75280923 RCBDPSQRRYDGCJ-LBPRGKRZSA-N 319.474 3.162 10 10 DGCE COc1ccc(O)c(CNCc2ncc(-c3ccccc3)cn2)c1 184443335 NFMSUSVHBHILBM-UHFFFAOYSA-N 321.380 3.148 10 10 DGCE C[C@H](NC(=O)OC(C)(C)C)[C@](O)(CN=[N+]=[N-])c1ccccc1 72207859 YNUQPFKZZPQHOM-XHDPSFHLSA-N 306.366 3.098 10 10 DGCE C[C@H]1CN([C@@H](C)c2cc(Br)ccc2O)CCCO1 134152744 KKTNERXIYQDDEH-QWRGUYRKSA-N 314.223 3.327 10 10 DGCE [N-]=[N+]=NS(=O)(=O)c1cc(Cl)c(Br)s1 87665498 GERNNBCUHRCLBI-UHFFFAOYSA-N 302.562 3.163 10 10 DGCE CCN(CC)c1ccc(CNCCOC)c(Br)c1 233452528 ONGLHBVPDQMSAC-UHFFFAOYSA-N 315.255 3.031 10 10 DGCE C[C@H]1CN(c2ccc([C@@H](C)N)c(Br)c2)CCS1 235219726 OORKDVHILLWSNY-VHSXEESVSA-N 315.280 3.411 10 10 DGCE CCOC(=O)[C@](C)(NCCCN=[N+]=[N-])c1cccc(Cl)c1 90259987 ZUKFLYFFOSEYPS-CQSZACIVSA-N 310.785 3.408 10 10 DGCE CC(C)[C@@H]1C(=O)N(Cc2ccccc2)N(c2ccccc2)C1=O 248152496 BYZNUPPXIMLVPV-QGZVFWFLSA-N 308.381 3.249 10 10 DGCE CN[C@H](c1ccc2c(c1)CCN2C)c1ncc(SC)s1 2164120663 UFQGWIXLZLACOR-CQSZACIVSA-N 305.472 3.166 10 10 DGCE COc1ccc(OC)c(NC(=S)NNc2ccccc2C)c1 726434688 RUZQTGPYLUSSAQ-UHFFFAOYSA-N 317.414 3.326 10 10 DGCE CC[C@H](N[C@@H]1CCCN2CCSC[C@H]12)c1ccc(F)cc1O 903271659 JZSGKFFHLVYRCR-ARFHVFGLSA-N 324.465 3.152 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCn3ccnc32)cc1 833303803 AOEZWHKXNNZCLT-KRWDZBQOSA-N 320.396 3.165 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCNC(=O)c3ccccc32)cc1 835052184 CMVCNYQXENTQBC-AATRIKPKSA-N 321.424 3.016 10 10 DGCE Cc1cc(O)c(CN2CCO[C@]3(CCSC3)C2)c(Cl)c1 843420289 BAAVHWHOWMEBMO-OAHLLOKOSA-N 313.850 3.062 10 10 DGCE CCN(CC)c1ccc(CN(C)Cc2cc3n(n2)CCC3)cc1 844271254 OVJVTMSFMHCMRW-UHFFFAOYSA-N 312.461 3.308 10 10 DGCE CC[C@H](NC[C@H](C)N1C[C@H](C)O[C@H](C)C1)c1ccc(F)cc1O 848559412 WIOKSPKHWCNLHF-ZJOBFFGXSA-N 324.440 3.070 10 10 DGCE C[C@H](NC(=O)N[C@@H](c1ccccn1)C1CC1)c1ccccc1O 925570508 JSQPJCPACWXGCT-YVEFUNNKSA-N 311.385 3.299 10 10 DGCE CCN(CC)c1ccc(CNCc2nccc(OC)c2F)cc1 850380789 MJSIWOBXXQQVSR-UHFFFAOYSA-N 317.408 3.365 10 10 DGCE C[C@@H]1C[C@@H]2C[C@H]2C[C@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 929531902 JWMWMEVDOJTUAM-NYCLONFESA-N 300.446 3.393 10 10 DGCE Cc1cc(N(C)C)ccc1CN[C@@H]1CC[C@@H]2COCC[C@@H]2C1 921748568 XZDJWVVQHINNEU-KBAYOESNSA-N 302.462 3.356 10 10 DGCE Cc1ccccc1-c1nc(COC(=O)c2cc(O)cs2)no1 761148738 HZUCSXWIVGLFSU-UHFFFAOYSA-N 316.338 3.169 10 10 DGCE COc1cc(O)c(CN2CC(Cc3cccs3)C2)cc1OC 862538179 NQXZEZMADDOEFB-UHFFFAOYSA-N 319.426 3.145 10 10 DGCE Cc1cc([C@H]2CN(C(=O)c3cc(O)cs3)CCO2)ccc1F 765420534 HETDLESXPXOVNU-CQSZACIVSA-N 321.373 3.115 10 10 DGCE CCCC[C@@](C)(F)C(=O)NCc1ccc2cccnc2c1O 862025224 PBTADKBZRLWMHE-QGZVFWFLSA-N 304.365 3.475 10 10 DGCE CCOc1ccc(O)c(CN2CCC[C@H]([C@@H]3CCOC3)C2)c1 770377269 ZDOVDLWKJIYLQG-LSDHHAIUSA-N 305.418 3.039 10 10 DGCE CC[C@@H]1CN(Cc2cccc(F)c2)c2ccc(CN)cc2O1 74337943 FWCCKPOVLSTMAI-MRXNPFEDSA-N 300.377 3.462 10 10 DGCE CC[C@H](NCc1cc(Cl)cc([N+](=O)[O-])c1O)C(F)(F)F 786836225 KUVXVABCAGWMHH-VIFPVBQESA-N 312.675 3.384 10 10 DGCE CN(C)c1ccc(-c2ncc(-c3n[nH]c(=S)[nH]3)s2)cc1 82417422 LQXYVAMDKZBPKU-UHFFFAOYSA-N 303.416 3.324 10 10 DGCE Nc1ccc(Nc2c(F)cc(Br)cc2F)nc1 88166936 MOFMCTNJWQNDEA-UHFFFAOYSA-N 300.106 3.448 10 10 DGCE Cc1cc(O)c(CN(C)Cc2cnn(C)c2C)cc1C(C)C 790418741 YDICALJLWRNYDY-UHFFFAOYSA-N 301.434 3.498 10 10 DGCE c1cc(N2CCCC2)ccc1CNC[C@@H]1C[C@H]1C1CCOCC1 1330342565 KDYZQCZMBKJPDW-ICSRJNTNSA-N 314.473 3.439 10 10 DGCE O=C(CC[C@H]1CCc2ccccc21)NCc1cccc(O)c1O 1347542549 OANIPHNBRYNGQI-CQSZACIVSA-N 311.381 3.224 10 10 DGCE CN(C[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2)c1ccc(CO)cc1Br 2134496810 LFDPUXKXVSJCAN-GUYIQFIESA-N 322.246 3.280 10 10 DGCE CC(C)c1nnc(N(C)Cc2ccccc2O)n1[C@@H]1C[C@@H]1C 1508915370 LNHBPDGHXWOMFL-GXTWGEPZSA-N 300.406 3.324 10 10 DGCE Cc1ccc(CCNC(=O)/C=C/c2ccc(O)c(O)c2)cc1C 1453039939 CFJYAGRTXCTSCL-SOFGYWHQSA-N 311.381 3.087 10 10 DGCE C[C@@H](N[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)c1ccccc1O 227629224 JDFIMCFMLJBJOD-YUELXQCFSA-N 320.433 3.489 10 10 DGCE COc1ccc(O)c(CN[C@H]2CCC[C@@H]2Cc2cc(C)no2)c1 1615852511 NNCJMNPNOBVEKM-DYVFJYSZSA-N 316.401 3.198 10 10 DGCE COc1ccc(N(C)Cc2cc3ccccc3n(C)c2=O)cc1 1473613357 QUYJYTILJGVFMG-UHFFFAOYSA-N 308.381 3.184 10 10 DGCE CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 1611413259 VNHDMVPMDYVYII-GJZGRUSLSA-N 305.418 3.361 10 10 DGCE CCc1[nH]ccc1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1628954072 ATAALYJJNUINHX-UHFFFAOYSA-N 311.429 3.450 10 10 DGCE Cc1cc(C)cc(C[C@H](C)NC(=O)Cc2ccc(O)c(O)c2)c1 1620500672 MCWPOJVGTZWXSS-AWEZNQCLSA-N 313.397 3.005 10 10 DGCE C[C@@H](NCc1cc(=O)oc2cc(O)ccc12)c1ccccc1O 1560074960 MWFAZNWPTPUPCW-LLVKDONJSA-N 311.337 3.055 10 10 DGCE Cc1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)sc1C=O 1567777404 VVDCURCGNBMZMH-GFCCVEGCSA-N 316.426 3.426 10 10 DGCE O=C(NCCc1nsc2ccccc12)c1cc(O)cs1 1585675766 AUNFUTRNPYQHGN-UHFFFAOYSA-N 304.396 3.036 10 10 DGCE O=C(NCc1c(O)cccc1F)NCC(F)(F)c1ccccc1 1686688693 HHPSKJQFDLEIQO-UHFFFAOYSA-N 324.302 3.123 10 10 DGCE CCN[C@H](c1ccccc1O)[C@@H]1CCCN1C(=O)OC(C)(C)C 1936973846 LUNWUPNPGLXONV-GOEBONIOSA-N 320.433 3.442 10 10 DGCE CC(C)Cn1cc(CN2CCOc3cc(N(C)C)ccc32)cn1 154921049 HOJRVEALXBVQPP-UHFFFAOYSA-N 314.433 3.004 10 10 DGCE COc1ccc(CCN=NNc2ccc(CC(=O)O)cc2)cc1 1860489187 BNSZVOLBMMIWCZ-UHFFFAOYSA-N 313.357 3.344 10 10 DGCE COc1ccc(-c2csc(=O)n2Cc2ccc(N)cc2)cc1 33500903 CVGYKTRYHQRVJO-UHFFFAOYSA-N 312.394 3.216 10 10 DGCE CC[C@@H]1CN(CCCN=[N+]=[N-])CC[C@H]1NC(=O)OC(C)(C)C 1962303021 DVRIOHYZPWEGAB-CHWSQXEVSA-N 311.430 3.312 10 10 DGCE Nc1ccc(CCNc2cc(F)c(Br)cc2N)cc1 1876395729 NYDAQBMIVJYEKL-UHFFFAOYSA-N 324.197 3.407 10 10 DGCE C[C@H](c1ccccc1O)N(C)c1ncc(N)cc1Br 1877518885 ZFRBKCHVZYQWBG-SECBINFHSA-N 322.206 3.329 10 10 DGCE CNCc1ccc(N2CC[C@@H](N(C)Cc3ccccc3)C2)c(C)c1 1946814094 BJKCSHMTBCBSON-HXUWFJFHSA-N 323.484 3.425 10 10 DGCE C[C@H]1C[C@@H](N(C)CCc2ccc(N)cc2)CN1Cc1ccccc1 1949210938 XAWFRKUVHNNDJY-LAUBAEHRSA-N 323.484 3.406 10 10 DGCE CN(CCc1ccc(N)cc1)C(C)(C)CNC(=O)OC(C)(C)C 1977894908 VURIBNXNHIQNEN-UHFFFAOYSA-N 321.465 3.046 10 10 DGCE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(Cc2ccc(N)cc2)C1 1977925976 KDBRIEXNIQJCBH-HIFRSBDPSA-N 319.449 3.004 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@]2(CCN(CCCN=[N+]=[N-])C2)C1 1982246471 VLFYDCDXMMXRBG-MRXNPFEDSA-N 323.441 3.410 10 10 DGCE C[C@H](N)c1ccc(N(C)CC2(F)CC2)c(Br)c1 2025730107 GMOYQJTWGHYUBE-VIFPVBQESA-N 301.203 3.407 10 10 DGCE C[C@@H]1CCC[C@@H](S(=O)(=O)Nc2ccc(O)cc2Cl)C1 407316958 PTIPQACJDJBCBI-MWLCHTKSSA-N 303.811 3.366 10 10 DGCE Oc1c(Br)cccc1CNCC[C@H]1CC1(F)F 701935022 COSZEMQVTQILBB-VIFPVBQESA-N 306.150 3.290 10 10 DGCE Cc1cc(CO)ccc1N1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 705942217 RMXOMSCJUHOSCM-PMACEKPBSA-N 322.452 3.056 10 10 DGCE CNCc1cc(F)c(N(C)[C@@H]2CCC[C@H]2SC)c(F)c1 707685863 PQCDWNIANZOBDM-ZIAGYGMSSA-N 300.418 3.405 10 10 DGCE CC[C@@H](O)[C@H](C)NCc1cc(Cl)cc(Br)c1O 708133528 LPPCVASNAARSPA-WRWORJQWSA-N 322.630 3.057 10 10 DGCE C[C@H](NCc1cccc(Br)c1O)[C@H]1CCCCO1 393685545 VYGZASINIYNAJU-GXFFZTMASA-N 314.223 3.202 10 10 DGCE COc1cccc(Cn2nc(-c3ccccc3)cc2C=O)c1O 2070045348 JITFESFXXICDHE-UHFFFAOYSA-N 308.337 3.125 10 10 DGCE CCN(c1ccc(CN)cc1C(F)(F)F)[C@@H]1CCSC1 2170129287 FMLIIWNUDHLHQU-LLVKDONJSA-N 304.381 3.496 10 10 DGCE C[C@H](N)c1ccc(N(C)C2(CO)CCSCC2)c(Cl)c1 2171172768 LDRYGKFOJRCGGC-NSHDSACASA-N 314.882 3.054 10 10 DGCE Cc1cc(N(C)Cc2ccc(Br)o2)ccc1CO 2050628705 IBBYXSBXRXDVNS-UHFFFAOYSA-N 310.191 3.479 10 10 DGCE CNCc1ccc(N2CC(C3CCC3)C2)c(Br)c1 2052000112 FIQQLSLGIHNBKX-UHFFFAOYSA-N 309.251 3.405 10 10 DGCE CC=C1CN(c2ccc(CNC3CC3)c(Br)c2)C1 2058786498 XBGBJUROZFUWRT-UHFFFAOYSA-N 307.235 3.467 10 10 DGCE CC1=CCN(c2ccc(C=CC(=O)O)cc2Br)C1 2077061922 OPAQDDKSMAHOQU-UHFFFAOYSA-N 308.175 3.313 10 10 DGCE C[C@H](O)c1ccc(N(C)C[C@@]2(Br)CC2(F)F)cc1 2082519549 SMWFYQPAFGZHDL-CABZTGNLSA-N 320.177 3.349 10 10 DGCE CN(Cc1cc(Cl)ns1)c1c(F)cc(CN)cc1F 2110911454 DZFHBVSFCGRGCE-UHFFFAOYSA-N 303.765 3.170 10 10 DGCE CN(C[C@@H](O)c1ccc(Br)cc1)c1ccc(N)cc1 2113399890 LJTFVKRVLCVNJE-OAHLLOKOSA-N 321.218 3.201 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@H](F)[C@H]1CCOC1 2229990711 VJZLSDLPDDRXMI-UFBFGSQYSA-N 308.180 3.163 10 10 DGCE CC1(C)CCC(S(=O)(=O)Nc2ccc(O)cc2F)CC1 2240159981 SPHZHZGAJYBXJG-UHFFFAOYSA-N 301.383 3.242 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@](F)([C@H](N)c2ccccc2O)C1 2243008931 PHKSFIIAEONHBM-PBHICJAKSA-N 324.396 3.131 10 10 DGCE CSc1ncc(CN=c2[nH]cnc3c(C)csc23)s1 2269192629 FWZGAYOISXNCCD-UHFFFAOYSA-N 308.457 3.212 10 10 DGCE Cc1ncc(C=CC(=O)N2CCOc3ccc(F)cc32)s1 2298279818 HCXLQARVRNAGPC-UHFFFAOYSA-N 304.346 3.029 10 10 DGCE Nc1onc2c1CN(c1ccc(OCc3ccccc3)cc1)CC2 2299501231 MDRJOZLSNAENKM-UHFFFAOYSA-N 321.380 3.399 10 10 DGCE Cc1ccc(CN[C@H]2CCC[C@@H]2F)c(O)c1Br 2307473619 IHAJRABFUXUOBD-QWRGUYRKSA-N 302.187 3.443 10 10 DGCE CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/Nc1ccccn1 101141967 NRJATFIOZGMZDZ-LFIBNONCSA-N 306.369 3.417 10 10 DGCE COC[C@H]1CCN([C@H](C)c2cc(Br)ccc2O)C1 211408548 FVLUZRRIEJYDKP-MNOVXSKESA-N 314.223 3.184 10 10 DGCE Cc1ccccc1-c1nc(CN(C)c2ccc3c(c2)OCO3)no1 121317680 CNOFCZQBFGRETI-UHFFFAOYSA-N 323.352 3.410 10 10 DGCE Nc1ccc(CCNCc2nc(C(F)(F)F)cs2)cc1 2360800998 LFSGGPGDESUBLX-UHFFFAOYSA-N 301.337 3.076 10 10 DGCE COc1ccc2c(c1)CCN2Cc1ccc(N2CCCC2)nc1 127693983 HENQPWRATXCSJP-UHFFFAOYSA-N 309.413 3.253 10 10 DGCE COc1ccc2c(c1)N[C@](C)(C(C)C)CN2C[C@@H]1CCCNC1 75280954 LZUOEEPAAVCDLY-BEFAXECRSA-N 317.477 3.341 10 10 DGCE Nc1ccc(CC[S@](=O)c2ccc(Br)cc2)cc1 40968806 JHJYUBBFEKEZGL-GOSISDBHSA-N 324.243 3.382 10 10 DGCE Cc1ccc2sc([C@@H](N)Cc3ccc(O)c(O)c3)nc2c1 40225920 LYSFMVVYOIBNGF-NSHDSACASA-N 300.383 3.258 10 10 DGCE CC(=O)N(C(=O)N1c2ccccc2C[C@H]1C)c1ccc(N)cc1 243300440 LHCIJQMFFAKOHF-GFCCVEGCSA-N 309.369 3.193 10 10 DGCE Cn1c(-c2ccc(O)c(O)c2)csc1=Nc1cccc(O)c1 254846539 VUUHWNFWUYWBLB-UHFFFAOYSA-N 314.366 3.103 10 10 DGCE CCCN[C@@H](CC1OCCO1)c1ccc(N2CCCCC2)cc1 2163099652 JZVWGHXRCPLLOJ-SFHVURJKSA-N 318.461 3.481 10 10 DGCE Cc1cc(CN[C@@H](CO)c2sccc2C)ccc1N(C)C 815096227 ZAPGXFRGRYQTQV-HNNXBMFYSA-N 304.459 3.254 10 10 DGCE COc1ccc2c(c1)N(C(=O)/C=C/c1cccnc1C)C[C@@H](C)O2 826562395 LONOACGZPHRAPE-YSKGHYERSA-N 324.380 3.226 10 10 DGCE CCOc1ccc(NC(=O)N(C)Cc2ccccc2O)nc1C 825892718 HRALKJMUIMSUGT-UHFFFAOYSA-N 315.373 3.158 10 10 DGCE CN(C)c1ccc(/C=C\CNC[C@@](C)(O)c2ccsc2)cc1 835039768 JIPSDFGJERAJFJ-PYTPGESOSA-N 316.470 3.325 10 10 DGCE CCC[C@@](C)(NC/C=C/c1ccc(N(C)C)cc1)C(=O)OC 835033865 YEHITAUPFURQDU-LKGOPFMKSA-N 304.434 3.087 10 10 DGCE CN(C)c1ccc(/C=C/CNCc2noc3c2CCCC3)cc1 835054189 SEIQKUTYOQYRRH-AATRIKPKSA-N 311.429 3.422 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)CC(C)(C)COC 839474583 RJTVRLKFWAGNAM-UHFFFAOYSA-N 306.450 3.164 10 10 DGCE COc1ccc(F)cc1CNCc1ccc2c(c1)CCCO2 922014915 KFLMTJGRSSNJSP-UHFFFAOYSA-N 301.361 3.449 10 10 DGCE CCO[C@@H](CN[C@H](CC)c1cc(Cl)ccc1O)CN(C)C 926959538 JRQQXARSCDCGCF-DZGCQCFKSA-N 314.857 3.053 10 10 DGCE O=[N+]([O-])c1ccc(O)c(CNC2CCC3(CC2)CC3(F)F)c1 850391457 QTPSUMYYNKZCSK-UHFFFAOYSA-N 312.316 3.358 10 10 DGCE C[C@@H](N[C@H]1CCCOC1)c1cc(Br)c(F)cc1O 756554724 JACHUVCVQJAORZ-BDAKNGLRSA-N 318.186 3.123 10 10 DGCE C[C@H]1CN(Cc2cc3c(cc2O)CCC3)C[C@](C)(C(F)F)O1 853631367 VPOZQLRBGIWJED-APPDUMDISA-N 311.372 3.125 10 10 DGCE CC(=O)c1cc(Cl)cc(CNC2([C@@H]3CCCCO3)CC2)c1O 933380009 XUXMFJQVLOHPKB-HNNXBMFYSA-N 323.820 3.440 10 10 DGCE O=C(NCc1c(O)cccc1F)Nc1cc(C2CC2)ccn1 931496376 DFSLTGWCYWKEPW-UHFFFAOYSA-N 301.321 3.125 10 10 DGCE CN(C)c1cc(F)c(CN[C@@H](C2CCC2)[C@H]2CCCO2)cc1F 864053620 XPDMBGJWYGBZGY-MSOLQXFVSA-N 324.415 3.468 10 10 DGCE COCCN(Cc1cc(OC)ccc1O)[C@@H]1C[C@H]2CC[C@H]1C2 775207398 VEVDIHQHQLAXNU-GRDNDAEWSA-N 305.418 3.038 10 10 DGCE CCC[C@@](C)(O)CNCc1cc(C)cc(Br)c1O 781630962 YRXBRXXGQMZTOA-CQSZACIVSA-N 316.239 3.104 10 10 DGCE CCCc1occc1C(=O)N[C@H](C)c1cc(OC)ccc1O 798980032 BILWFHQCAVUEOD-LLVKDONJSA-N 303.358 3.437 10 10 DGCE CC(C)[C@H](C(=O)NCc1ccc(O)cc1O)c1ccc(F)cc1 1162278345 HJTJCUQMRUFMGL-KRWDZBQOSA-N 317.360 3.293 10 10 DGCE O=C(NCc1cccc(Cl)c1O)NC[C@H]1C[C@H]2CC[C@H]1C2 1312498299 GEXRDUCCLWYTJJ-GMXVVIOVSA-N 308.809 3.281 10 10 DGCE C[C@H]1CCN(Cc2cc(Br)cc(F)c2O)C[C@@H]1F 1621200335 HWZNXCXQSVXSED-UFBFGSQYSA-N 320.177 3.474 10 10 DGCE CC(C)c1nnc(N(C)Cc2ccccc2O)n1[C@H]1C[C@@H]1C 1508915374 LNHBPDGHXWOMFL-JSGCOSHPSA-N 300.406 3.324 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(Cc2ncc(Br)s2)C1 1912207983 OFGRMLJTAXTOQS-SSDOTTSWSA-N 302.201 3.180 10 10 DGCE Cn1cnc(/C=C\C(=O)N2CCc3cc(C(C)(C)C)ccc32)c1 1524070812 ZDYUOEVOHHDUCW-VURMDHGXSA-N 309.413 3.320 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)CC(C)(C)C2CC2)cc1 1530904702 JUYQYLQFVZORAA-UHFFFAOYSA-N 318.461 3.416 10 10 DGCE CN(C)c1ccc(CNC(=O)c2ccc(Cl)c(F)c2N)cc1 1540494251 IHUBQFPTUFBFBQ-UHFFFAOYSA-N 321.783 3.057 10 10 DGCE COc1ccc(CNCC[C@H](C)NC(=O)C(C)(C)C)cc1C 1715698144 JMBDAELFLNXCHD-AWEZNQCLSA-N 306.450 3.034 10 10 DGCE CC[S@@](=O)c1ccccc1C(=O)N[C@H](C)c1ccccc1O 1632246453 JCCZWLQJIXBUMI-VERVWZFWSA-N 317.410 3.011 10 10 DGCE Cc1ccc(C(=O)N[C@H](C)[C@H]2CC3CCC2CC3)c(O)c1O 1631862727 KTGXVHYNRMLPBK-XZNOPERXSA-N 303.402 3.351 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)NCC(C)(C)[C@H](C)O 1640042304 ZIEXNUQIYBALDM-ZDUSSCGKSA-N 320.458 3.292 10 10 DGCE CCCCCC[C@@H](O)CCC(=O)NCc1cc(C)ccc1O 1584989089 PIVORGWJYIVUPG-MRXNPFEDSA-N 307.434 3.428 10 10 DGCE Cc1ccc(O)c(CNC(=O)COC/C=C/c2ccccc2)c1 1584983856 TWPIHMZKWIDREI-VMPITWQZSA-N 311.381 3.047 10 10 DGCE Cc1cccc2c(CC(=O)NCc3c(O)cccc3F)c[nH]c12 1652298711 NYAGIKVQCAYWPB-UHFFFAOYSA-N 312.344 3.180 10 10 DGCE O=C(NCc1c(O)cccc1O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 1597574509 OEHLKPHDBRVHTR-MELADBBJSA-N 303.402 3.321 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@H](C)C1CCC1 1671294997 ZPTLQQIUXFPGBF-HUUCEWRRSA-N 317.477 3.480 10 10 DGCE CC[C@H]1CN(C(=O)OC(C)(C)C)[C@H](CC)CN1CCN=[N+]=[N-] 1962301148 ULHKCSQFYNJDRZ-QWHCGFSZSA-N 311.430 3.407 10 10 DGCE CCCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)SC1=S 5764866 GPYZUAGEWSHVQW-JLHYYAGUSA-N 306.456 3.364 10 10 DGCE CC(C)(C)OC(=O)N1CCN(CCN=[N+]=[N-])[C@@H]2CCCC[C@@H]21 1962304321 MMBMQACWDLXTHV-OLZOCXBDSA-N 309.414 3.161 10 10 DGCE CCC1=NN(CC(C)C)C(=O)/C1=C/c1cc(OC)ccc1OC 1865668312 QSAHUFDFFSFFMI-XNTDXEJSSA-N 316.401 3.351 10 10 DGCE CC[C@]1(C)CN(C[C@H]2CCCNC2)c2ccc(OC)cc2N1 251500583 DSQWUCJSKLISNM-KBXCAEBGSA-N 303.450 3.095 10 10 DGCE CCCNCc1ccc(N2CCOC(F)(F)C2)c(Cl)c1 2152298410 PFXJJVMFEKFAIJ-UHFFFAOYSA-N 304.768 3.269 10 10 DGCE C[C@H](N)c1ccc(N2C[C@H]3C[C@H]2[C@@H]2C[C@H]32)c(Br)c1 2041531836 CTWIJFZGOBJDKG-GTLXJZANSA-N 307.235 3.313 10 10 DGCE CN1CC[C@H]2[C@H]1CCCN2Cc1cc(Cl)cc(Cl)c1O 2183737207 ZEOJPIGIFDCUPN-KGLIPLIRSA-N 315.244 3.368 10 10 DGCE CC[C@@H](N)Cc1ccc(N2CC(SC(F)F)C2)cc1C 2196712233 XUKDQTJQBTZWML-GFCCVEGCSA-N 300.418 3.419 10 10 DGCE Oc1ccc(Br)cc1CNC[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2 2070870278 SMPWNMHDIRFVRW-AVIMPIDKSA-N 308.219 3.146 10 10 DGCE C[C@@H](c1ccccc1O)N(C)c1ncncc1Br 2072448560 NMAMKNLPKKWGNV-VIFPVBQESA-N 308.179 3.142 10 10 DGCE C[C@H](c1ccccc1O)N(C)c1ncncc1Br 2072448559 NMAMKNLPKKWGNV-SECBINFHSA-N 308.179 3.142 10 10 DGCE Cc1cnc(C(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])c(Br)c1 2225791598 FUWONGZMGIZSAD-UWVGGRQHSA-N 324.182 3.114 10 10 DGCE CC[C@@H](C)NCc1cc(F)c(N2CC(SC)C2)c(F)c1 2240025116 ZSVOMUSDRCIDML-SNVBAGLBSA-N 300.418 3.405 10 10 DGCE CC1=NN(c2ccccc2C)C(=O)C1=Cc1ccc(C(=O)O)cc1 2294956837 NAMJGCLDZVXKDB-UHFFFAOYSA-N 320.348 3.499 10 10 DGCE CN[C@H](CSc1nccs1)c1cc(OC)cc(OC)c1 2285392128 VVDILWQTHOPWLB-CYBMUJFWSA-N 310.444 3.213 10 10 DGCE CCN1C(=CC=C2SC(=S)NC2=O)C=Cc2ccccc21 2297532845 LSOPCRXVPTYJQX-UHFFFAOYSA-N 314.435 3.455 10 10 DGCE CC[C@H](C)COC(=O)C=Cc1ccc(N2CCOCC2)cc1 2298423674 NJCTYQZMDWHSGG-HNNXBMFYSA-N 303.402 3.126 10 10 DGCE CS[C@H]1CCN(Cc2ccc(C)c(Br)c2O)C1 2307471372 SCXBILRSEROHQD-NSHDSACASA-N 316.264 3.400 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)N1CCC[C@H]1c1ccccc1 2307987414 AVMPAVKQCNLPLQ-INIZCTEOSA-N 309.365 3.475 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)NCc1ccc(C(F)F)cc1 2309111972 AUXIAHNNRWJUDD-UHFFFAOYSA-N 319.307 3.365 10 10 DGCE O=C1C(=Cc2ccco2)C(C(F)(F)F)=NN1c1ccccn1 2332127737 CXTFVAYZBUNANH-UHFFFAOYSA-N 307.231 3.023 10 10 DGCE Cc1ccc(CN[C@H](C)c2cnn(C)c2)c(O)c1Br 2352685249 VRWHMKZPSNLYCO-SNVBAGLBSA-N 324.222 3.047 10 10 DGCE CN(CC(=O)N[C@@H]1CCCc2ccccc21)Cc1ccccc1O 109772360 QEEDIGYNRUEJKT-GOSISDBHSA-N 324.424 3.018 10 10 DGCE C[C@H](CNC(=O)Cc1ccc(N)cc1)Oc1ccccc1Cl 178410369 ZWUFRMBUVFTYSC-GFCCVEGCSA-N 318.804 3.048 10 10 DGCE CN(Cc1nccn1Cc1ccccc1)c1ccc2c(c1)OCO2 121351306 DGXAWIOWEPDPEF-UHFFFAOYSA-N 321.380 3.297 10 10 DGCE CCc1ccc(/C=C/C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)o1 186403026 QJUKMBZUDYNXCP-CRALRDPISA-N 315.369 3.014 10 10 DGCE Cc1cnc([C@H](C)NCc2cccc(Br)c2O)o1 227556195 MFEZOICRDHJGTG-VIFPVBQESA-N 311.179 3.302 10 10 DGCE CCCN(Cc1cnn(CC(C)C)c1)c1ccc(CN)cc1 194978111 LXCFOUSQVIYWLV-UHFFFAOYSA-N 300.450 3.414 10 10 DGCE C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)NCc1ccc2c(c1)CCO2 381844987 YVSNKPDZIYIQGH-OLZOCXBDSA-N 320.433 3.013 10 10 DGCE COc1cccc2c1N(C(=O)/C=C\c1cnc(C)s1)CCC2 254967358 LSOANCWEINLMIF-HJWRWDBZSA-N 314.410 3.453 10 10 DGCE C[C@@H](N[C@H]1C[C@@H]1C(F)F)c1cc(Br)ccc1O 806170337 YRZJAMCPQAEPLX-UASFKTIASA-N 306.150 3.459 10 10 DGCE CC[C@@H]1SCCS[C@@H]1[C@@H](O)c1ccc2c(c1)CCN2C 2163063006 OQKJUIFPDBCFAU-JYJNAYRXSA-N 309.500 3.340 10 10 DGCE CCN(CC)c1ccc(CNC(=O)/C=C/[C@@H]2CCCO2)cc1F 819261136 ZWWLMWRQKRDKLB-HQPKTYMTSA-N 320.408 3.023 10 10 DGCE CCC1(CNC(=O)c2csc(Cc3ccc(N)cc3)n2)CC1 817934741 BZFAAEQFWUWYNO-UHFFFAOYSA-N 315.442 3.236 10 10 DGCE OCC[C@H]1CCCCCN1Cc1cc(Cl)c(F)cc1O 816603165 AWKFNDGYBSADHW-GFCCVEGCSA-N 301.789 3.312 10 10 DGCE COc1cccc(CNC(=O)/C(C)=C\c2ccc(C)cc2)c1O 588401422 USPAHFDSVJKDEE-KAMYIIQDSA-N 311.381 3.429 10 10 DGCE O=C(c1cc(O)cs1)N1CCN(c2cccc(Cl)c2)CC1 731863962 HHHFHFLDROMGMJ-UHFFFAOYSA-N 322.817 3.070 10 10 DGCE CC(C)[C@@H](NCc1ccc2c(c1)CCO2)C1(CO)CC=CC1 843432404 DCNFDTHMZLXYLK-GOSISDBHSA-N 301.430 3.064 10 10 DGCE NCc1ccc2c(c1)CCCN2Cc1c(O)cccc1Cl 843057147 DPHHEKWVGRMTJM-UHFFFAOYSA-N 302.805 3.457 10 10 DGCE Cc1cc(CC(=O)NCC2=CCCOC2)c(C)n1-c1ccccc1 854474861 INCFOFQWXDDKMT-UHFFFAOYSA-N 324.424 3.100 10 10 DGCE CCN(C)c1ccc([C@H](C)NC[C@H]2CNCCC2(F)F)cc1 925779996 DDGXGXMXQBJNHJ-DZGCQCFKSA-N 311.420 3.038 10 10 DGCE COc1cccc([C@@H](C)NC[C@@H]2C[C@H]2C2CCOCC2)c1O 866539844 QFXYSTKYYCUGAT-INWMFGNUSA-N 305.418 3.114 10 10 DGCE COC(=O)Cc1ccc(CNCc2cc(C)c(C)cc2O)cc1 862448649 XYJUJSWBPUYEDW-UHFFFAOYSA-N 313.397 3.014 10 10 DGCE Cc1cccc(C(=O)Nc2cccc(N3CCOCC3)c2)c1F 760413818 FWMKPVORQMKNMQ-UHFFFAOYSA-N 314.360 3.223 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CCC[C@H]2c2cn[nH]c2)c1O 878877994 NFJLAOOVKARHGI-HNNXBMFYSA-N 319.792 3.308 10 10 DGCE CCN(CC)c1ccc(CNCc2cnc(OC)s2)cc1F 877026524 BSTOCEYNQMFDCP-UHFFFAOYSA-N 323.437 3.427 10 10 DGCE CCN(C)c1ccc([C@@H](C)NCCC[C@H]2CCOC2=O)cc1 872117358 OUDXMRKTYUWDKI-ZBFHGGJFSA-N 304.434 3.137 10 10 DGCE C[C@@H](NCc1cc(-c2cccnc2)n[nH]1)c1ccc(N(C)C)cc1 775361700 DQNYTEKXBKLJCC-CQSZACIVSA-N 321.428 3.389 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)N1CCc2ccccc2C1 776422084 DOEIJISIADIWGS-UHFFFAOYSA-N 323.440 3.363 10 10 DGCE COc1cc(Cl)cc(CNCc2ccc3c(c2)OCO3)c1O 76274296 CPKRKKFBPCZDFU-UHFFFAOYSA-N 321.760 3.073 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)c2cc[nH]c2C2CC2)c1 786410254 SFBXWSMFJXAJPY-SNVBAGLBSA-N 300.358 3.097 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)c1cc(Cl)nc(Cl)c1 701331940 DZFSLWALZIVWEK-QMMMGPOBSA-N 300.149 3.303 10 10 DGCE CC1CCN(c2ccc(CNC(=O)N3CC(C)(F)C3)cc2)CC1 792078235 YDNMCBNZCVBQIG-UHFFFAOYSA-N 319.424 3.176 10 10 DGCE CCc1ccc(NC(=O)NCc2ccc(OC)cc2O)cc1F 797637443 SLCUJDPPBFMUFB-UHFFFAOYSA-N 318.348 3.424 10 10 DGCE CO[C@H](C)CNC(=O)c1cc(C)ccc1-n1c(C)ccc1C 1146543051 NSZJQZMMPFIKGJ-OAHLLOKOSA-N 300.402 3.167 10 10 DGCE C[C@@H]1CC[C@H]1NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 796526967 UKYDGPCYHUJSCB-UKRRQHHQSA-N 303.406 3.473 10 10 DGCE COc1cc(Cl)cc(CN(CC(F)F)CC(F)F)c1O 719365320 ZRSUPEULAUKSEI-UHFFFAOYSA-N 315.694 3.386 10 10 DGCE Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCCCN2)c1 1140203785 OMFPVACRPJNVCE-UHFFFAOYSA-N 317.820 3.488 10 10 DGCE Cc1ccc2c(CC(=O)NCc3cccc(O)c3O)coc2c1 1303193728 QXOLMXYYWHGNQI-UHFFFAOYSA-N 311.337 3.011 10 10 DGCE O=C(/C=C/c1ccc2ccccc2n1)N1Cc2cccc(O)c2C1 1302788468 WWNFKXYIUZROQG-ZHACJKMWSA-N 316.360 3.496 10 10 DGCE COc1ccc(CN[C@H]2C[C@@H](NC(=O)[C@@H](C)C(C)C)C2)cc1C 1317120187 CKXMZORVQFNUEE-BHYGNILZSA-N 318.461 3.033 10 10 DGCE C[C@H]1CN(Cc2ccc(N3CCCC3)cc2)C2(CCC2)CO1 1346165576 KCVZTWGYUXEGHW-INIZCTEOSA-N 300.446 3.430 10 10 DGCE CN(CCCN=[N+]=[N-])C(=O)CSc1ccc(F)c(F)c1 1912175449 LVVHVLCBGSVOBP-UHFFFAOYSA-N 300.334 3.216 10 10 DGCE COC1(C(F)(F)CNCc2c(O)cccc2Cl)CCC1 1912521297 OWTNTKKDDPFNHW-UHFFFAOYSA-N 305.752 3.340 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1ccccc1[N+](=O)[O-] 1456310737 MGHXWFZPYFTQJJ-UHFFFAOYSA-N 322.320 3.384 10 10 DGCE Nc1ccc(CS(=O)(=O)Nc2c(F)cccc2Cl)cc1 225155592 PUKRJQQRMAYFBN-UHFFFAOYSA-N 314.769 3.003 10 10 DGCE COC[C@@H]1CC[C@H](NCc2c(O)cccc2Br)C1 1918623423 CSTPDZLEACHESD-MNOVXSKESA-N 314.223 3.059 10 10 DGCE Oc1cc(Cl)ccc1CNC[C@@H]1CCN1Cc1ccccc1 1462454490 GHLWBBCTWHKECK-KRWDZBQOSA-N 316.832 3.410 10 10 DGCE Cc1ccc(O)c(CNC(=O)CCc2cccc(F)c2F)c1 1470254998 OTJFDFCQKDCBGE-UHFFFAOYSA-N 305.324 3.228 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc(C)c1F 1556515484 AEGQMYNCQNVMCI-UHFFFAOYSA-N 308.349 3.255 10 10 DGCE Cc1ccc(C(=O)NCc2ccc(C(C)(C)C)o2)c(O)c1O 1632229334 AGRQQPVPUCRRPZ-UHFFFAOYSA-N 303.358 3.227 10 10 DGCE Cc1nc2ccc(C(=O)NCc3c(O)cccc3F)cc2s1 1645048321 PXDPVTMESJOWOZ-UHFFFAOYSA-N 316.357 3.379 10 10 DGCE Cc1cc(C)cc(-n2c(C)cc(C(=O)Nn3cccn3)c2C)c1 1584514774 YXVPDGJCEMZIKP-UHFFFAOYSA-N 308.385 3.291 10 10 DGCE c1ccn2cc(CCNCc3ccc(N4CCCC4)cc3)nc2c1 1656719459 KZCUYLMGEMDJAD-UHFFFAOYSA-N 320.440 3.267 10 10 DGCE CN(Cc1ccccc1O)c1nnc(-c2ccccn2)n1C1CC1 1768680997 CAZWMXURVSEOQW-UHFFFAOYSA-N 321.384 3.017 10 10 DGCE CC[C@@H]1COCCN1c1ccc(CNC)cc1C(F)(F)F 163680417 WTBRBYMXZPTROO-GFCCVEGCSA-N 302.340 3.040 10 10 DGCE CCCOc1ccc(CN(C)C[C@H]2CCCN2CC)c(O)c1 156085642 GBALWVQKTRYUBW-MRXNPFEDSA-N 306.450 3.097 10 10 DGCE CCCOC(=O)c1ccc(/N=N/N2CCC(C(=O)O)CC2)cc1 1860481961 CAGGKRUTRLVLIS-ISLYRVAYSA-N 319.361 3.049 10 10 DGCE C[C@H](O)CN(C(=O)OC(C)(C)C)[C@H](C)c1ccc(F)cc1O 1887511743 AAPRZDMNJODRPT-WDEREUQCSA-N 313.369 3.210 10 10 DGCE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNCc1ccccc1O 1937860426 WZNUHBHRCJXVQG-HIFRSBDPSA-N 320.433 3.127 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CC[C@@H](N)c2ccccc2O)C1 1938893129 LMSKTSMOJCAKDI-VNHYZAJKSA-N 320.433 3.476 10 10 DGCE c1ccc(COc2ccc(N3C[C@@H]4CCNC[C@@H]4C3)cc2)cc1 1899867195 PIZWLXXQRSSQBC-ZWKOTPCHSA-N 308.425 3.311 10 10 DGCE CNc1ncnc(N[C@H](C)c2ccccc2O)c1Br 1877590160 QFWJNBNZGSPTJY-MRVPVSSYSA-N 323.194 3.160 10 10 DGCE C[C@H]1CC[C@H](CCNCc2c(O)cccc2Br)O1 1967775948 PBPUEWIJIWVMRC-WDEREUQCSA-N 314.223 3.202 10 10 DGCE COc1cc(Cl)cc(CN[C@@H](C)COC(F)(F)F)c1O 1974267131 QUUAJDPJVNBYJM-ZETCQYMHSA-N 313.703 3.069 10 10 DGCE COc1cccc(O)c1CN[C@@H]1CC[C@@H]1OCc1ccccc1 1976859593 XUDXTTUTYOGDTD-APWZRJJASA-N 313.397 3.238 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]2CN(CCCCN=[N+]=[N-])CC[C@H]21 1982245143 CDTGYCBCBLUIDP-ZIAGYGMSSA-N 323.441 3.408 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@H]3C[C@H]2[C@H]2C[C@@H]32)cc1Br 2041533881 UTWDGEGATVKERC-VJZJXRQDSA-N 307.235 3.313 10 10 DGCE CSC[C@@H]1CCN(c2ccc(CN)c(Br)c2)C1 706660210 UJAPRXNNRMENFA-SNVBAGLBSA-N 315.280 3.097 10 10 DGCE CN(CCCNCc1cccc(F)c1O)Cc1ccccc1 378883050 ITLLGICRPFYGNR-UHFFFAOYSA-N 302.393 3.143 10 10 DGCE CCOC(=O)c1cnn([C@@H](C)c2cc(OC)ccc2O)c1Cl 2070387632 RCGNALGOFSNRHR-VIFPVBQESA-N 324.764 3.037 10 10 DGCE CNCc1c(Cl)nc(Cl)n1Cc1ccc(N(C)C)cc1 2175472262 LJESZRDAGYQZCK-UHFFFAOYSA-N 313.232 3.024 10 10 DGCE CC[C@@H]1C[C@H](N(C)c2cc(Cl)c(CN)cc2F)CCO1 2182949288 FYRINBDKGWMBJV-VXGBXAGGSA-N 300.805 3.332 10 10 DGCE C[C@H](N[C@@H]1CS[C@@H](C(F)(F)F)C1)c1c(O)cccc1O 2189225804 YEALAGXJFAFMID-DKCNOQQISA-N 307.337 3.185 10 10 DGCE C[C@H]1OCC[C@@H]1CN(C)Cc1cccc(Br)c1O 2057467046 BAIHRTBJPFTIGI-GHMZBOCLSA-N 314.223 3.012 10 10 DGCE CC[C@@H]1CC[C@@H](CNCc2c(O)cccc2Br)O1 2081665555 DDXISPVFCKGIFQ-MNOVXSKESA-N 314.223 3.202 10 10 DGCE CC1(C)CCC(S(=O)(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])CC1 2239980888 FBQJQEQYTRRXLA-NWDGAFQWSA-N 300.428 3.106 10 10 DGCE CC[C@H](C)NCc1cc(F)c(N2CC(SC)C2)c(F)c1 2240025115 ZSVOMUSDRCIDML-JTQLQIEISA-N 300.418 3.405 10 10 DGCE CSc1ncc(CNC[C@H](C)[C@H](N)c2ccccc2)s1 2284729532 QBFVZOGRQBBJNP-FZMZJTMJSA-N 307.488 3.291 10 10 DGCE CC[C@@]1(C)CN(Cc2cnc(SC)s2)[C@H](C(C)C)CN1 2284676327 HTALJDJKPKMMLG-ZFWWWQNUSA-N 313.536 3.464 10 10 DGCE Cc1ncccc1/C=C\C(=O)N1C[C@@H]2CCCN2c2ccccc21 492952272 GSHNADNNBCWNOL-MQNTZWLQSA-N 319.408 3.419 10 10 DGCE Cc1ccc(CN(C)CC2CSC2)c(O)c1Br 2307566054 SNUIWHCCMWOEJA-UHFFFAOYSA-N 316.264 3.258 10 10 DGCE CCN1N=C(c2ccccc2)C(=Cc2ccc(N(C)C)cc2)C1=O 2332096597 YIEOVFBBQJTTHC-UHFFFAOYSA-N 319.408 3.402 10 10 DGCE Oc1c(F)cccc1[C@H](Nn1cnnc1)c1ccccc1Cl 1260808 MEOVBYDCVJLTQT-CQSZACIVSA-N 318.739 3.109 10 10 DGCE CN(C[C@H](O)c1ccc(Cl)cc1)c1ccc2c(c1)OCO2 121276364 RKJLMHCBJWATBI-AWEZNQCLSA-N 305.761 3.239 10 10 DGCE CN(CCC(=O)c1ccc(F)cc1F)Cc1ccccc1O 187245880 XBMBNSGNASHIEU-UHFFFAOYSA-N 305.324 3.375 10 10 DGCE Cc1ccc([C@H](C)N[C@H]2CCN(c3ccccc3)C2=O)c(O)c1 185813089 PCDJLYRPXNXEBR-YOEHRIQHSA-N 310.397 3.157 10 10 DGCE CC(C)Oc1ccc(F)cc1NC(=O)c1cccc(O)c1O 188379285 AIFQWIIPNFEIEY-UHFFFAOYSA-N 305.305 3.276 10 10 DGCE O=C1/C(=C\c2ccccn2)SC(=S)N1c1ccc(O)cc1 33705428 FPRYDQLTSCDWJM-UKTHLTGXSA-N 314.391 3.193 10 10 DGCE CCOc1ccc(O)c(CN[C@@H](C)CN2CCCCCC2)c1 187567517 GAEHYHLUGODMPF-HNNXBMFYSA-N 306.450 3.145 10 10 DGCE NCc1ccc(N2CCN(Cc3ccccc3)CC2)c(Cl)c1 379468361 ZKHAQYFOSZMDDI-UHFFFAOYSA-N 315.848 3.121 10 10 DGCE Oc1cccc(Cl)c1CNCc1ccn(C(F)(F)F)n1 2366201825 KBMKXDXJXPXZFU-UHFFFAOYSA-N 305.687 3.008 10 10 DGCE Oc1ccc2ccccc2c1CNC[C@]1(O)CCc2ccccc21 132108824 BOLPNDFWVHLKCW-OAQYLSRUSA-N 319.404 3.469 10 10 DGCE CCCC[C@@H](N)c1cccc(I)c1O 95780792 BSWSDQGOVDATGN-SNVBAGLBSA-N 305.159 3.187 10 10 DGCE Oc1c(Cl)cccc1CNC[C@H](n1cccn1)C(F)(F)F 529637698 VPHHNDUHSGEFBW-NSHDSACASA-N 319.714 3.135 10 10 DGCE CC(=O)N(C(=O)OCCc1ccc(F)cc1)c1ccc(N)cc1 243758983 QARBIBDENDBSCM-UHFFFAOYSA-N 316.332 3.140 10 10 DGCE CNc1ccc(Nc2ccc(C(N)=O)c(Br)c2)cc1 705786789 CKPVEBRAZYAHQW-UHFFFAOYSA-N 320.190 3.333 10 10 DGCE CN(CCCF)c1ccc(/C=C/C(=O)O)cc1Br 714792456 VAPVEPWFKGUJNN-GQCTYLIASA-N 316.170 3.343 10 10 DGCE Oc1cc(F)c(Cl)cc1CN1CCC(c2cnc[nH]2)CC1 816512772 UNFJKODFHNMRRJ-UHFFFAOYSA-N 309.772 3.287 10 10 DGCE CSc1ccc(CNC(=O)NCc2ccccc2O)cc1 726240265 UTOGMTJZODVWAI-UHFFFAOYSA-N 302.399 3.114 10 10 DGCE CCC(C)(C)[C@@H](NC/C=C/c1ccc(N(C)C)cc1)C(=O)O 904021199 QPFCTMGLVYUCDI-WAVCKPEOSA-N 304.434 3.245 10 10 DGCE CN(C)c1ccc(/C=C/CN2CC[C@H](CN3CCCC3)C2)cc1 835026075 PEFSTINFGKLVHO-ZMBJWTFHSA-N 313.489 3.184 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)c2n[nH]c(C)c2C)cc1 734425637 VTDCXBUUHZPMOY-UHFFFAOYSA-N 314.433 3.145 10 10 DGCE CN(C)c1ccc(/C=C\CNCC[C@@H]2C[C@H]3CC[C@H]2O3)cc1 839163704 JVTDDTSXDJSFIZ-BSWMADRKSA-N 300.446 3.313 10 10 DGCE CC(C)[C@H](C)CNC(=O)NCc1ccc2c(c1)CCCN2C 740475501 XRVWEWIGQNINEV-CQSZACIVSA-N 303.450 3.160 10 10 DGCE C[C@@H](N[C@H]1C[C@@](C)(O)C1)c1ccc(N2CCCCC2)c(F)c1 841760760 YQUTYPIOOVVVLH-SIIHOXLZSA-N 306.425 3.380 10 10 DGCE Cc1cc(O)c(CNC[C@H]2CSCCS2)c(Cl)c1 840904907 LWBJEAGKNXBUKJ-JTQLQIEISA-N 303.880 3.292 10 10 DGCE C[C@H](NC(=O)N[C@@H]1CCS[C@H](C)C1)c1ccc(N(C)C)cc1 922054876 MQWRRXZBYLACEE-VNHYZAJKSA-N 321.490 3.397 10 10 DGCE Cc1ccc(/C=C\C(=O)N2C[C@@H](C)Oc3cc(F)ccc32)cn1 754308179 NOSNWRWCJVUQGL-DMTLFAOVSA-N 312.344 3.356 10 10 DGCE Cc1ccc(C[C@@H](C)N(C)Cc2cc3c(cc2O)OCO3)cc1 769464416 WNLPJKGZUPCTQP-CQSZACIVSA-N 313.397 3.492 10 10 DGCE C[C@H](Nc1nccc(-c2ccnn2C)n1)c1ccc(N(C)C)cc1 865685155 UGADEECQRGUHDW-ZDUSSCGKSA-N 322.416 3.116 10 10 DGCE COc1cc(O)c(CN2[C@H]3CC[C@H]2CC2(CC2)C3)cc1OC 863275844 KDUCGFIHQTXRNS-KBPBESRZSA-N 303.402 3.316 10 10 DGCE CCN(C)c1ccc(CN2CCC[C@@H]([C@H]3CCOC3)C2)cc1 773811170 WWOGFCBDMXVSPC-MSOLQXFVSA-N 302.462 3.391 10 10 DGCE CCCC[C@@H](COC)NC(=O)c1cc2cc(O)c(O)cc2s1 896454335 QCNNHSVDTWWWIJ-NSHDSACASA-N 323.414 3.248 10 10 DGCE Oc1c(F)cc(Cl)cc1CNC1CC(N2CCCCC2)C1 793337543 RCOAXHJCIJXFBG-UHFFFAOYSA-N 312.816 3.291 10 10 DGCE Cc1ccc(C(=O)Nc2ccccc2-c2ncco2)c(O)c1O 1148245740 MERUJUQOTBTUSL-UHFFFAOYSA-N 310.309 3.314 10 10 DGCE C[C@@H](C[C@@H](N)c1ccc(N(C)C)cc1)NC(=O)OC(C)(C)C 1959563290 ZFJHUDHLTZVATQ-SWLSCSKDSA-N 307.438 3.056 10 10 DGCE C[C@@H]1[C@@H](CNC(=O)NCc2c(O)cccc2F)CCC[C@H]1C 1227439342 WCORREYKDUBYEN-FRRDWIJNSA-N 308.397 3.403 10 10 DGCE O=C(Nc1nc2ccccc2n1CC1CC1)c1cccc(O)c1O 1161849328 OMSYHSLTVWANHO-UHFFFAOYSA-N 323.352 3.110 10 10 DGCE CN(C)c1cc(F)c(CNC2C[C@@H]3[C@@H](C2)C3(F)F)cc1F 1334908936 PSLBZQHTVNZLSZ-GHMZBOCLSA-N 302.315 3.164 10 10 DGCE COc1ccc(CNC[C@@H](NC(=O)C2CC2)C(C)(C)C)cc1C 1284563029 WOKSAUXRSJITLU-QGZVFWFLSA-N 318.461 3.034 10 10 DGCE O=Cc1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)co1 1298841769 PWFDRHULLFQJAO-UHFFFAOYSA-N 314.124 3.035 10 10 DGCE COC[C@@H]1CC[C@H](NCc2cc(Br)ccc2O)C1 1918701506 OQTWXGVSUIYVRU-MFKMUULPSA-N 314.223 3.059 10 10 DGCE CN(C)c1ccc(-c2nc(CO)c(Br)s2)cc1 217273129 CQVNZZKXRCETET-UHFFFAOYSA-N 313.220 3.131 10 10 DGCE O=C(NCc1c(O)cccc1O)c1[nH]c2ccccc2c1Cl 1472063719 OMNVNNWOSDICTC-UHFFFAOYSA-N 316.744 3.163 10 10 DGCE COCC(C)(C)C(=O)NCc1cc(C)n(-c2ccccc2)c1C 1624075445 OOCHPBQIOREYDH-UHFFFAOYSA-N 314.429 3.383 10 10 DGCE O=C(CCCc1cc(F)ccc1F)NCc1ccc(O)cc1O 1630301510 CXTJSWQJLWFWKB-UHFFFAOYSA-N 321.323 3.015 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1C[C@H]2C=C[C@H]1C2 1676749875 BBERXNYTQXLXDF-YESZJQIVSA-N 313.445 3.106 10 10 DGCE CN[C@@H](C[C@H](NC(=O)OC(C)(C)C)C1CC1)c1ccccc1O 1936988032 YAVLFPLYIUJEPX-GJZGRUSLSA-N 320.433 3.346 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(Cc2csc(Br)n2)C1 1981444367 QUSQYTBJWINDTA-ZETCQYMHSA-N 302.201 3.180 10 10 DGCE COc1cc(Cl)cc(CN[C@@]2(C)C[C@@H]2C(F)(F)F)c1O 2158621472 PXKURIHFWLWHNT-JQWIXIFHSA-N 309.715 3.485 10 10 DGCE O=C(O)C=Cc1ccc(N2CC(C(F)(F)F)C2)cc1Cl 2152277541 YELBTMSRMZOQIJ-UHFFFAOYSA-N 305.683 3.436 10 10 DGCE CCCN[C@H](C)c1cnc(Sc2n[nH]c(C3CC3)n2)s1 2159808099 UZZWROXNFYZJOA-MRVPVSSYSA-N 309.464 3.350 10 10 DGCE Nc1ccc(C[C@@H](O)Cc2ccccc2Br)cc1 702787669 XCCLTPFBRKURNE-CQSZACIVSA-N 306.203 3.177 10 10 DGCE COc1cccc(Cn2nc(C3CC3)c(C(C)(C)C)c2N)c1O 2079746229 LWLWPVIYRDPXAP-UHFFFAOYSA-N 315.417 3.403 10 10 DGCE C[C@H](N)c1ccc(N(C)Cc2cnco2)c(Br)c1 2043636373 QNHRJZXUXJJQBG-VIFPVBQESA-N 310.195 3.093 10 10 DGCE CO[C@H]1CC[C@H](CNCc2cc(Br)ccc2O)C1 2054479273 RKDHFOFEXHNFGX-GWCFXTLKSA-N 314.223 3.059 10 10 DGCE COC[C@]1(C)CCN1c1ccc([C@@H](C)N)c(Br)c1 2055903651 KRIWMHITPZVMPS-YGRLFVJLSA-N 313.239 3.084 10 10 DGCE C[C@@H](N)c1cc(F)c(N2CCC=C(Br)C2)c(F)c1 2074227475 YJDYJWAKJGZJIT-MRVPVSSYSA-N 317.177 3.473 10 10 DGCE Nc1ccc(CCOc2cc(Br)ccc2N)cc1 2078138040 SZNMXHFICAKBSW-UHFFFAOYSA-N 307.191 3.235 10 10 DGCE C[C@H](C(=O)O)N(Cc1cc(Cl)cc(Cl)c1O)C1CC1 2087126047 ZMRJBFBJDQKFFA-SSDOTTSWSA-N 304.173 3.137 10 10 DGCE CN(Cc1ccc(O)cc1)c1ccc(CN)c(Br)c1 2096574044 ICNPRQAOVMHPDP-UHFFFAOYSA-N 321.218 3.250 10 10 DGCE COc1ccc(Br)c(CNC[C@@]2(F)C[C@@H]2C)c1O 2220462264 JCWJFSISTQENRN-SDBXPKJASA-N 318.186 3.001 10 10 DGCE CC[C@H](N)Cc1cnc(SC[C@@]2(C)CCCOC2)s1 2344937241 NTHNFUAAEGWPPY-FZMZJTMJSA-N 300.493 3.332 10 10 DGCE CC1(C)OC(=O)C(=CNc2cccc(Cl)c2Cl)C(=O)O1 10213418 ZHGHRYMDSRYDIL-UHFFFAOYSA-N 316.140 3.125 10 10 DGCE C[C@H](Nc1ccnc(C2CC2)n1)c1ccc(N2CCOCC2)cc1 110289731 YCNZTZUTFXAQAH-AWEZNQCLSA-N 324.428 3.364 10 10 DGCE Oc1cc(OCc2ccccc2)ccc1[C@H]1NCCCC[C@H]1O 1952133506 YEVANUYZRHPBAD-IEBWSBKVSA-N 313.397 3.147 10 10 DGCE C[C@H](N[C@H]1CCCC[C@@H]1CO)c1cc2c(cc1O)CCCC2 185507481 YPYAJTHOPDDWPY-XCRHUMRWSA-N 303.446 3.473 10 10 DGCE Cc1cncc(/C=C/C(=O)N2C[C@@H](C)Oc3cc(F)ccc32)c1 131143744 NKQIQHSHUUVRQS-VUUYWXRKSA-N 312.344 3.356 10 10 DGCE O=C1NC(=S)S/C1=C/c1cc(Cl)c(O)cc1Cl 133004252 JEORNAIOAUBYFF-KRXBUXKQSA-N 306.195 3.188 10 10 DGCE Oc1cccc(CNCc2ccccc2Br)c1O 42419288 HGXWNBOMCUEFND-UHFFFAOYSA-N 308.175 3.150 10 10 DGCE Cc1c(Br)cc([C@@H](C)N)c(O)c1Br 238416686 ZVVGSHAKRDBQKZ-RXMQYKEDSA-N 309.001 3.245 10 10 DGCE CCN(CC)c1ccc(CNC[C@@H](O)Cc2ccccc2)cc1 236920040 UMIMIEOASDBOCC-FQEVSTJZSA-N 312.457 3.226 10 10 DGCE Cc1cc(O)c(CN2CCO[C@@H](c3cccc(O)c3)C2)cc1C 93457726 WQEAIHUOLWBEOV-LJQANCHMSA-N 313.397 3.288 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C[C@H](O)CC(F)(F)F 276370412 OISMTMFIUREHQN-OAHLLOKOSA-N 318.383 3.276 10 10 DGCE CCCN(CCC)c1ccc(CNCc2cncn2C)cc1 289934868 UBGAIZUYIUEDID-UHFFFAOYSA-N 300.450 3.336 10 10 DGCE CCOc1cccc(CN[C@@H](C)[C@H](O)c2ccccc2)c1O 288432204 BROYTQPRAUTNDQ-GUYCJALGSA-N 301.386 3.003 10 10 DGCE CCOc1ccc(O)c(CN[C@@H](C(C)C)C2(CO)CCC2)c1 814169055 CPKGLQVLMBFVFR-KRWDZBQOSA-N 307.434 3.068 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)Cc1cn(C2CCC2)nn1 824484985 XPIYYAQMZYYAGG-UHFFFAOYSA-N 313.449 3.091 10 10 DGCE CCS[C@@H]1CCCC[C@H]1NC(=O)/C=C\c1ccc(O)c(O)c1 588405205 RMWRRTTUYUTRDN-LSCCZHGCSA-N 321.442 3.292 10 10 DGCE C[C@H](N[C@@H]1CCc2cccc(O)c21)c1ccc(-n2ccnn2)cc1 834694169 UWEFRJLHFYNUPF-SUMWQHHRSA-N 320.396 3.311 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCC(c3cnc[nH]3)CC2)cc1 835030220 VRPNZVDBSPCLLA-ONEGZZNKSA-N 310.445 3.369 10 10 DGCE COc1cccc([C@H](C)Nc2cccc3c2CN(C)C3=O)c1O 846173053 PSDVUEMCLMLYCQ-NSHDSACASA-N 312.369 3.160 10 10 DGCE C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CCc2ccccc21 846515860 FHLVKLNGXKCWHK-RCQQVGEISA-N 323.392 3.299 10 10 DGCE O=C(OCCN1CCCc2ccccc21)c1cc(O)cs1 758433478 XMMNVUQMQMGXIM-UHFFFAOYSA-N 303.383 3.063 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@H](C3CC3)C2)cc1 777194869 CAEMQXDBHBELCO-LJQANCHMSA-N 324.424 3.345 10 10 DGCE COCc1csc(C(=O)Nc2c(Cl)ccc3nonc23)c1 1128603099 CNPHEMHFFQLKIM-UHFFFAOYSA-N 323.761 3.336 10 10 DGCE CSC(C)(C)CNC(=O)c1cc2cc(O)c(O)cc2s1 896767978 OGFQPNIRWVOQIJ-UHFFFAOYSA-N 311.428 3.184 10 10 DGCE CC[C@H]1CCCCN1Cc1ccc(N2CCCNCC2)cc1 84857331 GQNMLYBPAQRTKU-SFHVURJKSA-N 301.478 3.251 10 10 DGCE COCC1(NCc2cc(C)cc(Br)c2O)CCC1 790652939 VFUDAYUJLXHNDO-UHFFFAOYSA-N 314.223 3.122 10 10 DGCE Nc1ccc(N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cc1 394605555 YXTJKVKOMVLCQM-ZWKOTPCHSA-N 307.441 3.227 10 10 DGCE COc1cc(O)c(CN2CC[C@H](C(F)(F)F)[C@@H]2C)cc1OC 793232575 YUPALNDFGJAHJW-ONGXEEELSA-N 319.323 3.182 10 10 DGCE C[C@H](CO)[C@H](C)NCc1ccc2c(c1)CCN2Cc1ccccc1 796311237 VYNCZXYAKJENPV-SJORKVTESA-N 324.468 3.356 10 10 DGCE COc1ccc(N(C)C[C@@H](N)[C@H](C)OCc2ccccc2)cc1 706064481 SSTKOFDIGHELDA-HNAYVOBHSA-N 314.429 3.064 10 10 DGCE CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1Nc1ccccc1N 1959374642 WSXHSDLHOMNBGW-TZMCWYRMSA-N 305.422 3.374 10 10 DGCE COc1cccc(CNC(=O)[C@H]2Cc3ccc(Cl)cc32)c1O 1150543101 IKVYTSKKRSWROR-AWEZNQCLSA-N 317.772 3.010 10 10 DGCE COc1ccc(F)cc1C(=O)NCc1cc(Cl)ccc1O 1165498366 MMFFJJHUAORJEP-UHFFFAOYSA-N 309.724 3.123 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@]2([C@@H](N)c3ccccc3O)CC[C@H]1C2 1901273193 MEGKDJYTWOWDFY-XLWVJDPXSA-N 318.417 3.182 10 10 DGCE CN[C@@H](C)c1ccc(N(CCCO)Cc2ccccc2)c(F)c1 1914614345 ODEPVQCLFVGJJN-HNNXBMFYSA-N 316.420 3.495 10 10 DGCE COc1ccc(CNC(=O)c2coc3c(C)cccc23)c(O)c1 1448376209 VJYRFVPYDXSDAP-UHFFFAOYSA-N 311.337 3.385 10 10 DGCE CCN(CC)c1ccc(CNC(=O)c2nccn2C(C)C)cc1 1464303292 XKOSBWDVKIVGPY-UHFFFAOYSA-N 314.433 3.240 10 10 DGCE CCC[C@@H](CC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 1539235046 JXWCPMSPSRYDJQ-CRAIPNDOSA-N 319.493 3.298 10 10 DGCE Cc1ccc(/C=C/C(=O)N(C)c2cccnc2N2CCCC2)cn1 1542558262 JBMJXGQTGXOFRO-MDZDMXLPSA-N 322.412 3.061 10 10 DGCE CCN[C@H](c1ccccc1O)c1csnc1Br 1925095525 QZNDAMDPYMWCIZ-LLVKDONJSA-N 313.220 3.310 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1cc(F)cc(C)c1N 1631159249 LXBVVWVTNIBURQ-UHFFFAOYSA-N 316.376 3.474 10 10 DGCE CCN[C@H](C[C@H](C)NC(=O)OC(C)(C)C)c1ccccc1O 1928471748 LWLUCWMJTTVEAC-GXTWGEPZSA-N 308.422 3.346 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccc(C)n1C 1570417130 UPQXMGMHCUPFFI-AWEZNQCLSA-N 313.445 3.069 10 10 DGCE Cc1sc(NC(=O)Cc2ccc(O)c(O)c2)nc1C(C)C 1640275748 XPMGLMXGWSWURA-UHFFFAOYSA-N 306.387 3.167 10 10 DGCE COc1ccc(O)c([C@H](C)Nc2ncc([N+](=O)[O-])cc2F)c1 1655107260 OVCCESGOOOPATC-QMMMGPOBSA-N 307.281 3.016 10 10 DGCE CN(C)c1ccc(CNC(=O)c2cccc(Cl)c2N)cc1F 1598028700 NPGFVDGATMHCCT-UHFFFAOYSA-N 321.783 3.057 10 10 DGCE Cc1ccc(O)c(CNC(=O)NCCc2ccc(F)c(F)c2)c1 1671713421 YUQSEGDIGAMIHD-UHFFFAOYSA-N 320.339 3.021 10 10 DGCE CCc1ccc(NC(=O)NCc2cccc(OC)c2O)cc1F 158982260 VRYOQWNOPFHGCP-UHFFFAOYSA-N 318.348 3.424 10 10 DGCE CCCNCc1ccc(N2CCN3CCC[C@@H]3C2)c(Cl)c1 164158502 QOCBXPRGLXZDCT-OAHLLOKOSA-N 307.869 3.124 10 10 DGCE O=C1/C(=C\[C@H]2CC=CCC2)SC(=S)N1C[C@@H]1CCCO1 5376855 RMUGCXRQFPCRGN-VSIAZPJASA-N 309.456 3.266 10 10 DGCE CC(C)(C)OC(=O)NCc1ccc([C@@H](N)c2ccccc2O)o1 1936973371 GMWILBUNGFPYBS-HNNXBMFYSA-N 318.373 3.058 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CCN(Cc2ccc(N)cc2)C1(C)C 1904966228 NKLFKZRKCHJGIC-HNNXBMFYSA-N 319.449 3.146 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)NCCOCc2ccccc2)CC1 1981602852 KXNLUSXSNBEXTN-HNNXBMFYSA-N 317.393 3.078 10 10 DGCE N[C@H]1CCCc2cc(N(Cc3ccccc3)C3COC3)ccc21 1986600966 RBCXBOCPHSLGAJ-FQEVSTJZSA-N 308.425 3.428 10 10 DGCE Nc1ccc(OCCNc2ccnn2Cc2ccccc2)cc1 1994392282 MSMLFTYIKMKGOX-UHFFFAOYSA-N 308.385 3.005 10 10 DGCE Cc1cc(N2CC(OCc3ccccc3)C2)ccc1C=CC(=O)O 1998333482 HOWNTBJRZCYIRZ-UHFFFAOYSA-N 323.392 3.498 10 10 DGCE C[C@@H](N)c1ccc(N(C)C[C@@H]2C[C@H]2F)c(Br)c1 2014705020 NVDUINPETOCLTI-UBHAPETDSA-N 301.203 3.263 10 10 DGCE COCCNCc1ccc(N2C[C@@H](F)C[C@H]2C)c(Cl)c1 2160295084 NXHGRVDRDAFNQP-YPMHNXCESA-N 300.805 3.013 10 10 DGCE CO[C@H]1CC(F)(F)CC[C@H]1NCc1cccc(Cl)c1O 2162094752 RWWZOYFAKDLECJ-NEPJUHHUSA-N 305.752 3.338 10 10 DGCE NCc1ccc(N2CCC3(CCC3)C2)c(F)c1Br 380452816 YJBSONXAOVLBBY-UHFFFAOYSA-N 313.214 3.427 10 10 DGCE CCc1nn([C@@H](c2ccc(C)cc2O)C(C)(C)C)c(N)c1N 2079136588 BXCWWZZYORIHQO-HNNXBMFYSA-N 302.422 3.259 10 10 DGCE COc1ccc([C@@H](C)n2nc(C3CC3)c(N)c2Cl)c(O)c1 2080022792 PBAHCMWXAJTPDF-MRVPVSSYSA-N 307.781 3.320 10 10 DGCE COc1ccc([C@H](C)n2nc(C3CC3)c(CN)c2Cl)c(O)c1 2080024293 IICAKBFFAKVDLY-VIFPVBQESA-N 321.808 3.196 10 10 DGCE CN1CCc2cc([C@@](C)(N)c3ccc(Br)o3)ccc21 2106794199 URUWGUZMJPXUCR-OAHLLOKOSA-N 321.218 3.257 10 10 DGCE CNCc1ccc(N2C[C@@H]3CC[C@]3(C)C2)c(Br)c1 2086875772 DRXXALOFWCQSPS-SWLSCSKDSA-N 309.251 3.405 10 10 DGCE C[C@H](NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCC[C@@H]1O 2111562145 XNKCDTSMAGOIHJ-QWRKXWFKSA-N 304.217 3.338 10 10 DGCE C[C@H](Nc1c(Br)cnn1C)c1ccc(N(C)C)cc1 2099580247 SDUUTAQETNNDCX-JTQLQIEISA-N 323.238 3.422 10 10 DGCE COc1ccc(Br)c(CN[C@@H]2CC[C@H](C)C2)c1O 2220462024 FPMPNVHXRZBDJO-VHSXEESVSA-N 314.223 3.442 10 10 DGCE C[C@@H](N)c1ccc(N(C)CC[C@@H]2CCO2)cc1Br 2263986698 RTNKXZWJRCEYOA-ZYHUDNBSSA-N 313.239 3.084 10 10 DGCE COC(=O)c1ccc(C=C2C(=O)N(c3ccccc3)N=C2C)cc1 2293911558 CZEAEVNIYVUWIA-UHFFFAOYSA-N 320.348 3.279 10 10 DGCE O=C(C=Cc1cncc(F)c1)N1CCCc2cc(F)cc(F)c21 2297493655 QSSNFTRRHAGIBN-UHFFFAOYSA-N 318.298 3.492 10 10 DGCE O=C(Nc1cc(Cl)ccc1Cl)c1cc(O)c(O)c(O)c1 586737557 NNLIORHBZWEKGP-UHFFFAOYSA-N 314.124 3.363 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)N[C@@H]1CCCc2ccccc21 2307978361 HTOFSFLZQXCOJH-MRXNPFEDSA-N 309.365 3.305 10 10 DGCE Cc1ccccc1C=CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 2309813772 YFCSQRXVCKEWKW-CQSZACIVSA-N 311.381 3.167 10 10 DGCE CCOc1cccc(C=C2C(=O)N(c3ccccn3)N=C2C)c1 2332116549 ABMLGANIWSGBAB-UHFFFAOYSA-N 307.353 3.286 10 10 DGCE CC[C@@H](c1cc(Br)ccc1O)N1CCC(N)CC1 20521458 FMEYERCPFFTLQU-ZDUSSCGKSA-N 313.239 3.029 10 10 DGCE Oc1ccc(OC(F)(F)F)cc1CNC[C@H]1CCCS1 2361044525 ZQJMQPQPLHLPKT-LLVKDONJSA-N 307.337 3.276 10 10 DGCE C[C@H](NCc1ccnn1C)c1ccc(Cl)c(Cl)c1O 184996505 NGHIRXRANQHXOF-QMMMGPOBSA-N 300.189 3.283 10 10 DGCE CN1CCc2cc(CNCc3ccc(C(C)(C)O)cc3)ccc21 187498468 FBRMQZGJCGBEMG-UHFFFAOYSA-N 310.441 3.196 10 10 DGCE C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1O 187768788 WUZTWINAVKGVHD-VIFPVBQESA-N 308.284 3.429 10 10 DGCE C[C@H](N)c1ccc(N2CCS[C@H](C)C2)c(Br)c1 137198013 NWPAOEWEOHHLND-ZJUUUORDSA-N 315.280 3.411 10 10 DGCE COc1ccc(N2CCCCC2)cc1NC(=O)c1ccncc1 41364887 UVWGSZKXOLDZPO-UHFFFAOYSA-N 311.385 3.333 10 10 DGCE COc1cccc(CNC(=O)/C=C\c2cc3ccccc3o2)c1O 255355985 TXRBKFCWPYENKY-KTKRTIGZSA-N 323.348 3.477 10 10 DGCE COCCN(Cc1ccccn1)Cc1cc(Cl)cc(C)c1O 289938650 XATYGNQAJZSRLT-UHFFFAOYSA-N 320.820 3.398 10 10 DGCE CCCN(CCc1ccccn1)Cc1cccc(OC)c1O 289707138 GLNFXWUCBFBGFB-UHFFFAOYSA-N 300.402 3.251 10 10 DGCE Cc1ccc(O)c([C@@H](C)N[C@@H]2COc3ccc(F)cc3C2)c1 808729252 WIHVYWIQZLXETN-DOMZBBRYSA-N 301.361 3.494 10 10 DGCE CC(C)CCNC(=O)NCc1cc(Br)ccc1O 804858407 VSKLUNZDZOPYNF-UHFFFAOYSA-N 315.211 3.000 10 10 DGCE COc1ccc(CNC2CC2)cc1CSc1ncns1 131345474 YAXJPVFSPMCXMZ-UHFFFAOYSA-N 307.444 3.091 10 10 DGCE CCS[C@@H]1CCCC[C@@H]1NC(=O)/C=C\c1ccc(O)c(O)c1 588405204 RMWRRTTUYUTRDN-BILPLUFOSA-N 321.442 3.292 10 10 DGCE COc1ccc(N2CCC(N[C@@H]3CC[C@H]4C[C@H]4C3)CC2)cc1 842780035 WNWHLPKBIXDRAK-YQQAZPJKSA-N 300.446 3.442 10 10 DGCE C[C@H](NCCc1cn(C)cn1)c1ccc(Cl)c(Cl)c1O 840765327 CTEWNJRFQSKBEB-VIFPVBQESA-N 314.216 3.326 10 10 DGCE Cc1cc(Cl)cc([C@@H](C)NCCO[C@@H]2CC2(F)F)c1O 850520869 HWRGGOMVHRMPGK-BXKDBHETSA-N 305.752 3.429 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@@H](C)c3cscn3)C2)cc1 850487756 JFROPCAAZVZXBL-QWHCGFSZSA-N 303.431 3.081 10 10 DGCE CC(C)[C@@H]1COCC[C@@H]1NCc1ccc2c(c1)CCCN2C 924871438 NEUHAMPXZLVLQI-ROUUACIJSA-N 302.462 3.220 10 10 DGCE CCN(CC)c1ccc(CNc2cc(CO)c(F)cn2)cc1F 853302213 ACMIAGNUNVUYRL-UHFFFAOYSA-N 321.371 3.310 10 10 DGCE COc1ccc(N(C)CCOc2ccc(F)cc2)c(OC)c1 752113957 SFBDJBGNXFYPGD-UHFFFAOYSA-N 305.349 3.358 10 10 DGCE c1csc(SCCCNCc2ccnn2CC2CCC2)n1 865468810 KPNYUXLRQHJOTJ-UHFFFAOYSA-N 322.503 3.412 10 10 DGCE CC(C)(C)OC(=O)c1ccc(/C=C2\SC(=S)NC2=O)cc1 764888934 OKWSNSNFGBAKKK-FLIBITNWSA-N 321.423 3.131 10 10 DGCE CN(C[C@H]1CCC2(COC2)O1)c1ccc(-c2nccs2)cc1 930710916 WFESEFQRSAUUSK-OAHLLOKOSA-N 316.426 3.194 10 10 DGCE CC(=O)c1cc(F)cc(CN2CC[C@@H](c3nccs3)C2)c1O 880316819 HTDDWQIXSQQIIT-LLVKDONJSA-N 320.389 3.180 10 10 DGCE COc1cc(C)cc(NCc2cc3c(cc2O)OCO3)c1C 785543396 DHKYHMDROSXPNV-UHFFFAOYSA-N 301.342 3.358 10 10 DGCE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNc1ccc(N)cc1 1959364957 OSKYEZSMAUAPLX-IUODEOHRSA-N 305.422 3.326 10 10 DGCE COc1cccc(CNC(=O)[C@H]2[C@@H](c3ccccc3)[C@H]2C)c1O 797744976 UCKHBWKEUNATNY-CSMYWGQOSA-N 311.381 3.067 10 10 DGCE OCc1ccc(N2CCC(CF)CC2)cc1Br 689423884 ROSUDVPTMQNDJG-UHFFFAOYSA-N 302.187 3.127 10 10 DGCE CN(c1ccc(CNC(=O)COC2CC2)cc1)C1CCCCC1 1142528387 VUXMWYATEQGMJW-UHFFFAOYSA-N 316.445 3.251 10 10 DGCE COc1ccc2c(c1)CCN2C(=O)/C=C/c1scnc1C 186342791 ZIQWOBLSNUIJCI-AATRIKPKSA-N 300.383 3.063 10 10 DGCE O=C(NCC[C@@H]1CC[C@@H]2C[C@H]12)NCc1cc(Cl)ccc1O 1248736548 IGJHCROWJLHADW-MISXGVKJSA-N 308.809 3.281 10 10 DGCE C[C@@H](CC(=O)Nc1c(Cl)ccc2nonc12)[C@@H]1CCCO1 1328696915 HSLWVMADLAFPSN-KWQFWETISA-N 309.753 3.020 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)[C@H]1Cc2cccnc2C1 1263819933 HHEHQZAYTZWYIG-KRWDZBQOSA-N 324.424 3.331 10 10 DGCE Cc1ccc(CCNC(=O)/C=C\c2ccc(O)c(O)c2)cc1C 1453039947 CFJYAGRTXCTSCL-VURMDHGXSA-N 311.381 3.087 10 10 DGCE CCc1nnc(N(C)Cc2ccccc2O)n1CC1(CC)CC1 1292841475 VYCSZFOBYILFGW-UHFFFAOYSA-N 314.433 3.373 10 10 DGCE Cc1ncsc1CCC(=O)Nc1c(Cl)ccc2nonc12 1520358787 GHHDZYCGISBZMT-UHFFFAOYSA-N 322.777 3.212 10 10 DGCE CC[C@@H](C)CCC(=O)N(C)CCN(C)c1ccc(OC)cc1 1531375192 RQGXTLYOTKXIDK-OAHLLOKOSA-N 306.450 3.416 10 10 DGCE CCc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CC1(C)C 1546421583 KRUWMQQWXLFXBS-AWEZNQCLSA-N 314.433 3.229 10 10 DGCE CCC(C)(C)C(=O)NC[C@@H](C)CNCc1ccc(OC)c(C)c1 1482135043 DHAJFGMUOUEEEQ-AWEZNQCLSA-N 320.477 3.282 10 10 DGCE C/C(Cl)=C/C(=O)Nc1c(-c2ccccn2)nc2ccccn12 1625656373 ADXKFMFYZRFZBK-KHPPLWFESA-N 312.760 3.477 10 10 DGCE CCCC[C@H](O)CCC(=O)NCc1ccc(N2CCCC2)cc1 1624321668 GHSOWGUGIDJHDJ-SFHVURJKSA-N 318.461 3.234 10 10 DGCE CO[C@H](C(=O)NCc1cc(Cl)ccc1O)c1ccccc1 1644590468 BHXMBGNFIOPANN-HNNXBMFYSA-N 305.761 3.050 10 10 DGCE COc1ccc(CNCC[C@@H](C)NC(=O)C2=CCCC2)cc1C 1732686001 LYPODTZJHRBJPC-OAHLLOKOSA-N 316.445 3.098 10 10 DGCE C[C@H](CC(=O)O)[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 155912020 JJUQBALYHSXTCL-VXGBXAGGSA-N 311.809 3.368 10 10 DGCE CCOC(=O)C1CCN(/N=N/c2ccc(OCC)cc2)CC1 1860482604 LMPDPOFPPGGUBQ-ISLYRVAYSA-N 305.378 3.359 10 10 DGCE COc1cc(/C=C2/C(=O)N(Cc3ccccc3)N=C2C)ccc1O 1865677053 UBGBDVXRKIVZHH-MHWRWJLKSA-N 322.364 3.203 10 10 DGCE C[C@@H](N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1cc(F)ccc1O 1938282347 PVMFEPKHFKHUBB-RTXFEEFZSA-N 324.396 3.238 10 10 DGCE Cc1ccc(O)c(CNCCC(=O)OC2CCC(C)CC2)c1 1857870818 XAXMHLZRYBVBSW-UHFFFAOYSA-N 305.418 3.302 10 10 DGCE C[C@@H]1OCC[C@H]1CCNCc1cc(Br)ccc1O 1972154915 FZRLJNXTIIKUAB-WDEREUQCSA-N 314.223 3.059 10 10 DGCE C[C@H](NCc1ccccc1O)[C@@]1(C)CCN1C(=O)OC(C)(C)C 1978219550 MZAAZUQPUXXEMO-SCLBCKFNSA-N 320.433 3.270 10 10 DGCE C[C@H](O)CN(Cc1ccccc1)c1c(F)cc([C@H](C)N)cc1F 1990438518 BSZBBBBTWUANIL-STQMWFEESA-N 320.383 3.372 10 10 DGCE C[C@H](CN(C)c1ccc(CO)c(Br)c1)C(F)F 2012199914 IDIDNJHQKCXEJT-MRVPVSSYSA-N 308.166 3.279 10 10 DGCE CO[C@@H]1CCCN(Cc2c(O)cccc2Br)[C@H]1C 2037813523 VFMGUUMSZYMGCY-IINYFYTJSA-N 314.223 3.154 10 10 DGCE OCc1cc(-c2ccccc2)nn1Cc1c(O)cccc1Cl 2070174557 CWFVPEJLCQGOTN-UHFFFAOYSA-N 314.772 3.450 10 10 DGCE COc1ccc([C@H](C(C)C)n2nc(C)c(CN)c2Cl)c(O)c1 2079970023 MPIDMOZEVMFYDP-HNNXBMFYSA-N 323.824 3.263 10 10 DGCE CO[C@H]1CCN(c2cc(Cl)c(CN)cc2F)[C@H]1C(C)C 2182431691 KEJXGGRTKRNBIW-GJZGRUSLSA-N 300.805 3.188 10 10 DGCE CCc1cccc(CN[C@@H]2CS[C@H](C(F)(F)F)C2)c1O 2189246195 QMWIVWJEXBMYTQ-RYUDHWBXSA-N 305.365 3.481 10 10 DGCE O=C(NCc1cc2sccc2s1)c1ccc(O)c(O)c1 2205531564 WHMDGUWVAIIIOJ-UHFFFAOYSA-N 305.380 3.304 10 10 DGCE Nc1ccc(OC[C@@H]2CC2(Br)Br)cc1 2209431125 NZVDRIGYNWBAPV-ZETCQYMHSA-N 321.012 3.154 10 10 DGCE CSc1ncc(CNCc2cccc3c2ncn3C)s1 2284694162 ZWTHPFTTYTYCMI-UHFFFAOYSA-N 304.444 3.042 10 10 DGCE Cc1ccc(CNC[C@@H]2CC2(F)F)c(O)c1Br 2307481092 AVTIDYDTFDGVBS-VIFPVBQESA-N 306.150 3.208 10 10 DGCE CCCOc1c(C=C2C(=O)N(C)N=C2CCC)cccc1OC 2332117396 BNMOEWVQIMBRTJ-UHFFFAOYSA-N 316.401 3.496 10 10 DGCE Cc1cccc(NC(=O)NCCc2cc(O)c(O)cc2C)c1 170292714 OJOXGAODJYEVGB-UHFFFAOYSA-N 300.358 3.079 10 10 DGCE Nc1ccc(CCC(=O)NCCc2ccc(Cl)cc2)cc1 20186626 GNLPVNGUVNAAON-UHFFFAOYSA-N 302.805 3.214 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3OCCC[C@@H]32)cc1 188734371 LGOXCASXBUHXBG-QRVBRYPASA-N 324.424 3.391 10 10 DGCE C[C@@H](Nc1ccc2oc(=O)n(C)c2c1)c1ccc(F)cc1O 186438745 WPUTUVVXUGEPRJ-SECBINFHSA-N 302.305 3.149 10 10 DGCE Cc1cc([C@H](C)NS(=O)(=O)Cc2ccc(N)cc2)c(C)s1 49504756 ZWJPYRPVVUBECK-NSHDSACASA-N 324.471 3.128 10 10 DGCE CC[C@H](CN[C@H](C)c1ccc(O)cc1O)NC(=O)OC(C)(C)C 227715491 BCRNNNDACSXKKO-VXGBXAGGSA-N 324.421 3.052 10 10 DGCE CC[C@H](NCCN1CCc2ccccc2C1=O)c1ccccc1O 191614640 FFWYDRDNCHKPOG-SFHVURJKSA-N 324.424 3.131 10 10 DGCE C[C@H](N[C@H]1CCCC[C@H]1CO)c1cc2c(cc1O)CCCC2 248532650 YPYAJTHOPDDWPY-OWQGQXMQSA-N 303.446 3.473 10 10 DGCE Cc1nc([C@@H]2CCCCN2Cc2cccc(Cl)c2O)no1 378440784 CIWOAFBIYRPISN-ZDUSSCGKSA-N 307.781 3.464 10 10 DGCE CCOCc1nc([C@H](C)N[C@H](C)c2ccc(C)c(C)c2O)no1 289589504 AVHMGVBWGAPIRO-OLZOCXBDSA-N 319.405 3.340 10 10 DGCE CCN(CC)c1ccc([C@@H](N2CCNCC2)C(C)(C)C)c(O)c1 575261870 ZIHRLISPDAHJJO-GOSISDBHSA-N 319.493 3.231 10 10 DGCE Cn1cc(COc2ccc(N3CCCCC3)c(Cl)c2)nn1 817381237 DEAKLHPMBQFOJJ-UHFFFAOYSA-N 306.797 3.038 10 10 DGCE CN1C[C@@H]2CCN(Cc3cc(-c4ccccc4)ccc3O)[C@H]2C1 814172897 CUFPUAUJNNVWDJ-HKUYNNGSSA-N 308.425 3.195 10 10 DGCE C[C@H](NC(=O)/C=C\C1(C)CCOCC1)c1ccc(N(C)C)cc1 829818694 ZWWNEKGCCWBHLY-KVPUOBJLSA-N 316.445 3.303 10 10 DGCE CC[C@@H]1CCC[C@]1(C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 907276179 ZTBKCDCYMNZBFK-DFHBCGBQSA-N 305.418 3.361 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1C[C@@H]1C(C)C 839919696 JHJAEIZMZJOFDY-QGTPRVQTSA-N 302.462 3.400 10 10 DGCE O=C(c1cc(O)cs1)N1CCC(Oc2ccc(F)cc2)CC1 734555183 LHWYDGGJFLLXRC-UHFFFAOYSA-N 321.373 3.276 10 10 DGCE O=C1[C@H](N[C@@H]2CCc3cccc(O)c32)CCCN1c1ccccc1 834585109 GCTHWKKNVCXXMM-IAGOWNOFSA-N 322.408 3.165 10 10 DGCE Cc1cc(Cl)cc(CNC[C@H](CO)c2ccc(F)cc2)c1O 840964697 ZPLIMLPTZDSKLG-CQSZACIVSA-N 323.795 3.359 10 10 DGCE C[C@]1(c2cccc(F)c2)CCN(C(=O)Cc2ccc(N)cc2)C1 846691184 VDERVQSLOOLBPN-IBGZPJMESA-N 312.388 3.141 10 10 DGCE CNCc1ccccc1CN[C@@H](C)c1cc(F)cc(F)c1O 844922704 CSNCIUUGNHYMJY-NSHDSACASA-N 306.356 3.241 10 10 DGCE CN(C)c1ccc(CN2CCC[C@H](C3CCNCC3)C2)cc1F 849350309 NLLXWFJMVBRSAW-KRWDZBQOSA-N 319.468 3.103 10 10 DGCE Cc1cc(N(C)C)ccc1CN1CCCC[C@@H]1[C@@H]1CCNC1 841086258 GRTMPRZDJRSMQZ-VQIMIIECSA-N 301.478 3.025 10 10 DGCE CC(C)c1cc(C(=O)NCc2ccccc2O)nn1C(C)(C)C 748346386 WBYPJAAOVMXGES-UHFFFAOYSA-N 315.417 3.397 10 10 DGCE COCc1nnc(N[C@H](C)Cc2ccc(N(C)C)cc2C)s1 840384289 HAIOHUGVLJJBDL-GFCCVEGCSA-N 320.462 3.102 10 10 DGCE CCc1noc([C@@H]2CC[C@H](N[C@@H](C)c3ccc(F)cc3O)C2)n1 927054129 USHVZNAZUFWTHT-LOWVWBTDSA-N 319.380 3.464 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)NCC[C@H]1CC1(F)F 856931712 JHBFTBSDJDYUCD-ZDUSSCGKSA-N 312.360 3.359 10 10 DGCE COc1ccc(N2CCN(CC3C[C@H]4C[C@@H]4C3)CC2)cc1F 851807041 CDYIAQAUMWXSKE-GJZGRUSLSA-N 304.409 3.002 10 10 DGCE C[C@H](NCc1nccn1CC(F)(F)F)c1ccc(F)cc1O 756539536 PVQNJOFJZUOAQW-VIFPVBQESA-N 317.286 3.141 10 10 DGCE COc1ccc(N2CC[C@@H](Nc3ncc4c(n3)CCCC4)C2)cc1 853760362 JZZHSFBEUDHFGC-OAHLLOKOSA-N 324.428 3.055 10 10 DGCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H]2[C@H]3CCC[C@H]32)c1 861379117 FYOIULATFUBXLW-BWTSREIZSA-N 322.408 3.435 10 10 DGCE Cc1ccc(CS(=O)(=O)N[C@H](C)c2ccccc2O)cc1C 867833851 CCYNLYVVACFWFU-CQSZACIVSA-N 319.426 3.190 10 10 DGCE C[C@@H](NCC[C@H](O)C(F)F)c1ccc(Cl)c(Cl)c1O 866442105 DRIXSWIYLRIYPJ-MUWHJKNJSA-N 314.159 3.366 10 10 DGCE CC[C@H](NCC1(O)Cc2ccccc2C1)c1ccc(N(C)C)cc1 766094436 JUPGMAUMNOARNN-FQEVSTJZSA-N 324.468 3.323 10 10 DGCE Oc1cc2c(cc1CN1CCC[C@H](OC3CCC3)CC1)OCO2 872260931 WRUSOUJIZAJNBX-HNNXBMFYSA-N 319.401 3.045 10 10 DGCE CC(C)N[C@@]1(C(=O)O)CCC[C@H]1CCSc1nccs1 93629967 HSFKMKNQXDJASO-FZMZJTMJSA-N 314.476 3.247 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H]1CC1CCCC1 1164105365 WNELFKCZMDEZAG-HNNXBMFYSA-N 303.402 3.212 10 10 DGCE CC(C)[C@]1(CO)CCN(C/C=C/c2ccc(N(C)C)cc2)C1 1326636962 LCCUILCKNQPZJW-ZMBJWTFHSA-N 302.462 3.106 10 10 DGCE Cc1cc(CN2CCCN(c3ccncc3)CC2)ccc1N(C)C 1195535327 IORPZUSSFYNJRH-UHFFFAOYSA-N 324.472 3.168 10 10 DGCE CCN[C@H](c1ccccc1O)[C@@H]1CCN1C(=O)OC(C)(C)C 1912876110 CJNCVPFOXTXJIG-DZGCQCFKSA-N 306.406 3.052 10 10 DGCE CCNCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(OC(C)C)c1 212120230 NZFADIMENOKPTR-GASCZTMLSA-N 306.450 3.197 10 10 DGCE FC(F)Oc1ccc2c(c1)CCCN2C[C@H]1C[C@]12CCOC2 1559605500 UJKBZWHBUXVBNO-DYVFJYSZSA-N 309.356 3.467 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)[C@H]1CCOc2ccccc21 1557386131 OUJDVBHBDBZBAV-AWEZNQCLSA-N 317.772 3.228 10 10 DGCE O=C(NCc1c(O)cccc1F)C1(Sc2ccccc2)CC1 1558455764 YBRSUANHVGQWGB-UHFFFAOYSA-N 317.385 3.472 10 10 DGCE O=C(Cc1cccc(F)c1F)NCc1cccc(Cl)c1O 1637226916 FJQKAAHCRXAHDV-UHFFFAOYSA-N 311.715 3.183 10 10 DGCE COc1ccc(CNC[C@H](C)N(C)C(=O)C2CCCC2)cc1C 1732405908 YFJACMWNEQSZIH-HNNXBMFYSA-N 318.461 3.130 10 10 DGCE CN(C)c1ccc(CNC(=O)c2cc(Cl)c(F)cc2N)cc1 1587316537 JLUBDGOPIOAWQU-UHFFFAOYSA-N 321.783 3.057 10 10 DGCE O=C(NCc1cc(O)ccc1O)c1c[nH]cc1-c1ccccc1 1651222307 DUEXMWVWXCGXAT-UHFFFAOYSA-N 308.337 3.023 10 10 DGCE Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(Cl)ccc1O 1583816394 ICKXBDNPTNNFND-UHFFFAOYSA-N 320.732 3.192 10 10 DGCE Cc1cc(C(=O)NCc2c(O)ccc3ccccc23)ccc1O 1652708903 PAHQKYPTGUNONR-UHFFFAOYSA-N 307.349 3.489 10 10 DGCE CC(C)(C)OC(=O)N[C@@]12CC[C@@H](CN(CCCN=[N+]=[N-])C1)C2 1962299168 LBBUNWWOOFUTBO-IUODEOHRSA-N 309.414 3.066 10 10 DGCE CCCCCOC(=O)CCNCc1cccc(OCC)c1O 1857869393 BPXRXVTYRRXSHX-UHFFFAOYSA-N 309.406 3.004 10 10 DGCE C[C@H]1CN(C)CCCN1Cc1cc(Cl)cc(Cl)c1O 235642988 JTBSYHZNFMIMAY-JTQLQIEISA-N 303.233 3.225 10 10 DGCE CC(C)[C@@](CCCSc1nccs1)(NC1CC1)C(=O)O 2144118259 CKGROIBVEAJYIK-CQSZACIVSA-N 314.476 3.247 10 10 DGCE Nc1ccc(O[C@@H]2CC[C@@H]2NC(=O)OCc2ccccc2)cc1 1883783819 GHXRJVNJGDOHGQ-DLBZAZTESA-N 312.369 3.105 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)c2cc(Br)cs2)C1 2004866866 AJTUTWINXKUVIJ-ZETCQYMHSA-N 315.196 3.283 10 10 DGCE CC[C@@](N)(CCNC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1977944272 CUMNYFSMQXULAA-GOSISDBHSA-N 321.465 3.231 10 10 DGCE CC[C@@](C)(COC)NCc1ccc(Br)cc1O 2014272311 JYNMABDKUOAKLQ-ZDUSSCGKSA-N 302.212 3.059 10 10 DGCE NCc1ccc(N2CCC[C@@H]3CC[C@H]32)c(F)c1Br 2034340354 XFYLNOPVJMDICM-MWLCHTKSSA-N 313.214 3.426 10 10 DGCE CN(c1ccc(CN)c(Br)c1F)C1CC2(CC2)C1 2037402820 BGEVTECTSSIKFB-UHFFFAOYSA-N 313.214 3.426 10 10 DGCE CC[C@@H]1[C@H](Sc2nccs2)CC[C@]1(NC(C)C)C(=O)O 2179114914 QPAUKNOPBVALBK-JTNHKYCSSA-N 314.476 3.245 10 10 DGCE CCOC(=O)c1cc(CC(C)C)nn1Cc1cccc(C)c1O 2069960731 ZNBWKUHKAIYIGN-UHFFFAOYSA-N 316.401 3.321 10 10 DGCE CCc1nn(Cc2c(O)cccc2Cl)c(N)c1C(F)F 2079684199 QUZDNOVZZUUZTO-UHFFFAOYSA-N 301.724 3.373 10 10 DGCE Cc1c(C(C)C)nn(Cc2ccc(Br)cc2O)c1N 2079731238 GSJSLPXYDLTCAM-UHFFFAOYSA-N 324.222 3.414 10 10 DGCE CN(C)c1ccc(CN[C@@H]2CS[C@H](C(F)(F)F)C2)cc1 2189245081 JXVLOMQPDWBARS-AAEUAGOBSA-N 304.381 3.279 10 10 DGCE CN(C[C@H]1C[C@@H]1C(F)F)c1ccc(CO)c(Br)c1 2041774766 IVDXFLYQVFIXBU-KOLCDFICSA-N 320.177 3.279 10 10 DGCE C[C@H]1[C@@H](C)[C@@H]1CN(C)c1ccc(CN)c(Br)c1F 2043301108 OPUDTOAHDYSXPC-JZYVYDRUSA-N 315.230 3.385 10 10 DGCE CO[C@H]1CC[C@@H](CNCc2cccc(Br)c2O)C1 2054478822 OGPXZDSFBMNKTB-PWSUYJOCSA-N 314.223 3.059 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@@H](F)C[C@@H](F)C2)c(Br)c1 2062389026 SYBHGMCEHGPDDA-IEBDPFPHSA-N 320.177 3.389 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@](C)(Br)[C@](C)(F)C2)cc1 2084856072 LIPTXZMBWVWICF-DDTOSNHZSA-N 315.230 3.408 10 10 DGCE CNCc1ccc(N(C)C[C@@]2(F)C[C@H]2C)cc1Br 2085438981 DHRHZAWKVWGVJZ-YGRLFVJLSA-N 315.230 3.353 10 10 DGCE Cc1cc(Br)c(CN2CCC[C@H]2CN=[N+]=[N-])cn1 2316112868 NZNHBLRKUKBUDU-NSHDSACASA-N 310.199 3.427 10 10 DGCE CCCC1=NN(CC(C)C)C(=O)C1=Cc1cccc(OC)c1O 2332097785 DCRAVYRWLYFZAH-UHFFFAOYSA-N 316.401 3.439 10 10 DGCE Cc1ccc(CN(C)[C@H]2CCO[C@H]2C)c(O)c1Br 2327569276 VTDXNCAJOVJGJE-JQWIXIFHSA-N 314.223 3.072 10 10 DGCE CN1C(=O)/C(=C\c2cnn(-c3ccccc3)c2)c2ccccc21 7907422 AXWVHDIVZXVCND-BOPFTXTBSA-N 301.349 3.389 10 10 DGCE COc1ccc(O)c(CNC(=O)[C@H]2C[C@@H]2C2CCCCC2)c1 173580783 CFYDADAEPRJJQE-CVEARBPZSA-N 303.402 3.233 10 10 DGCE Oc1ccc(Cl)cc1CNc1ccc(-n2ccnc2)nc1 37040627 HKBNHPLVXCUEDZ-UHFFFAOYSA-N 300.749 3.238 10 10 DGCE Cc1cc(Br)cc(CN2C[C@@H](C)O[C@H](C)C2)c1O 124497860 DAEITPCETJIOSP-GHMZBOCLSA-N 314.223 3.072 10 10 DGCE CN(C)c1ccc(/N=N\c2c(CC(=O)O)nc3ccccn23)cc1 71581238 RQHWWOTXQZXDSZ-VXPUYCOJSA-N 323.356 3.443 10 10 DGCE CCN[C@@H](C)c1ccc(N(C)C[C@@H]2CCN(C)C2)c(Cl)c1 71189427 RKPOYCQUGBXVEA-UONOGXRCSA-N 309.885 3.398 10 10 DGCE CC[C@H](Nc1cccc(S(C)(=O)=O)c1)c1ccccc1O 37763194 VDKVERPPWQXKCU-HNNXBMFYSA-N 305.399 3.359 10 10 DGCE COC(=O)Cc1nc2ccccn2c1/N=N\c1ccccc1O 71580888 FLMRCQMGSHIVNT-HNENSFHCSA-N 310.313 3.171 10 10 DGCE Nc1ccc(OCCC(=O)NCc2ccc(Cl)cc2)cc1 40301849 JFHUFBHTMLOQAJ-UHFFFAOYSA-N 304.777 3.008 10 10 DGCE C[C@H](N)c1ccc(N(C)[C@H]2CCO[C@@H]2C)cc1Br 235502255 UGBIOUMPNMKXPW-RBZYPMLTSA-N 313.239 3.082 10 10 DGCE CC(C)(C)OC(=O)N[C@@H](CC(=O)O)c1cc(Cl)ccc1O 238192281 HPYXHUKNOXPQHY-JTQLQIEISA-N 315.753 3.086 10 10 DGCE CO[C@@H]1CCCN(c2ccc([C@H](C)N)c(Br)c2)C1 234756470 AUSYUVRURLZDQX-CMPLNLGQSA-N 313.239 3.084 10 10 DGCE C[C@H](N[C@H](C)[C@@H](O)c1ccc(F)cc1)c1ccc(F)cc1O 248495584 KZDQPTDBDSDKBH-WVQJBOLRSA-N 307.340 3.443 10 10 DGCE Oc1ccc(Cl)cc1CNC[C@H](n1cccn1)C(F)(F)F 527741537 DQSVDPUXVLCOIY-LBPRGKRZSA-N 319.714 3.135 10 10 DGCE CNc1ccc(Nc2ccc(Br)cc2C(N)=O)cc1 702877871 NKICRUDHKXFMEV-UHFFFAOYSA-N 320.190 3.333 10 10 DGCE COCCCOc1ccccc1NC[C@H](O)CC1CCCC1 819421153 FDDSRNJIIOXEIQ-MRXNPFEDSA-N 307.434 3.455 10 10 DGCE NCc1ccc(N2C[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2)c(Br)c1 723193753 AWRJXPQWBLTXOP-IGQOVBAYSA-N 319.246 3.166 10 10 DGCE C[C@H](Nc1nc(N)nc2c1CCCC2)c1ccc(N(C)C)cc1 825953073 VUWOSADEQTWKJN-LBPRGKRZSA-N 311.433 3.177 10 10 DGCE C[C@H](NC(=O)N[C@@H]1CC[C@H]2C[C@@H]2C1)c1ccc(N(C)C)cc1 826532609 WOORKAOKVVWIBW-ARLBYUKCSA-N 301.434 3.301 10 10 DGCE CCC(C)(C)[C@H](NC/C=C/c1ccc(N(C)C)cc1)C(=O)O 904021197 QPFCTMGLVYUCDI-KXPUMZMLSA-N 304.434 3.245 10 10 DGCE Oc1ccc(CNc2ccc(Cl)nc2Cl)c(O)c1O 1896213823 OYPXLZGLLLIIIJ-UHFFFAOYSA-N 301.129 3.117 10 10 DGCE COc1cc(O)c(CNc2ncccc2SC)cc1OC 846061467 LDTUOJORQNBUBY-UHFFFAOYSA-N 306.387 3.138 10 10 DGCE Cc1cc(NCc2ccc(N(C)C)cc2C)cc(OCCO)c1 840941097 RPPYXQPDLBMGOI-UHFFFAOYSA-N 314.429 3.353 10 10 DGCE O=C(NCCCSc1nccs1)N1CCC12CCCC2 845046338 MUEYAQWIJYSRQR-UHFFFAOYSA-N 311.476 3.353 10 10 DGCE Oc1ccc2ccncc2c1CN1CCOC[C@H]1CC1CCC1 840097466 ZNKOCQVNSKPIAO-MRXNPFEDSA-N 312.413 3.331 10 10 DGCE CN(C)c1ccc(CN2CCC[C@@H](C3CCNCC3)C2)cc1F 849350310 NLLXWFJMVBRSAW-QGZVFWFLSA-N 319.468 3.103 10 10 DGCE COc1ccc(CN[C@H](CSCC=C(C)C)C(=O)O)cc1C 841810588 JFUUUFSVXNXTMA-OAHLLOKOSA-N 323.458 3.246 10 10 DGCE CCN(CC)c1ccc(CN[C@@H]2CCCn3nccc32)cc1F 850433382 LTPGNYVQFKKPKE-MRXNPFEDSA-N 316.424 3.493 10 10 DGCE CC[C@H](C)C(=O)NCc1cc(NC(=O)[C@@H](C)CC)ccc1O 923125291 BWLMCKOAKLBOTJ-RYUDHWBXSA-N 306.406 3.039 10 10 DGCE COc1ccc(N2CC[C@@H](NCc3cccc(OC)c3)C2)cc1 850345485 BQCJFRCUAATEMB-MRXNPFEDSA-N 312.413 3.072 10 10 DGCE Cc1ccc(CN2CCCc3cc(CN)ccc32)c(Cl)n1 852740394 DTCRXWNBQMRJKX-UHFFFAOYSA-N 301.821 3.455 10 10 DGCE COC(=O)/C=C\c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 931254023 FPJHQXQZNGSRCU-CLFYSBASSA-N 304.346 3.161 10 10 DGCE CCn1c(C)cc(C(=O)NCc2ccc3cccnc3c2O)c1C 862028556 CXGQYLFEQGXDRW-UHFFFAOYSA-N 323.396 3.309 10 10 DGCE C[C@H](Nc1cccc2c1NC(=O)CO2)c1ccc(N(C)C)cc1 866631052 CTSFSTCLXZLQDE-LBPRGKRZSA-N 311.385 3.257 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)c1cc[nH]c1C1CCC1 862026650 WDYLMNWDHLWIKL-UHFFFAOYSA-N 321.380 3.466 10 10 DGCE Oc1cc2c(cc1CN1CCC[C@@H]3COCC[C@H]31)CCCC2 768462616 ANSFZJFHZJOIAK-SJLPKXTDSA-N 301.430 3.272 10 10 DGCE COc1ccc(O)c([C@@H](C)Nc2ccc3ccc(=O)n(C)c3c2)c1 786942410 VSJNABOQHKLKNX-GFCCVEGCSA-N 324.380 3.426 10 10 DGCE COc1cc(C)cc(CNC2([C@H]3CCCCO3)CCC2)c1O 895465327 BBBLNEUQTKYEEF-MRXNPFEDSA-N 305.418 3.291 10 10 DGCE [N-]=[N+]=NCCCOc1cccc([N+](=O)[O-])c1Br 219039953 WOSYVUNBNJSEHX-UHFFFAOYSA-N 301.100 3.437 10 10 DGCE COc1cc(C)cc(CNCCCc2c(C)noc2C)c1O 894338727 JQLNOXCQTANMJO-UHFFFAOYSA-N 304.390 3.036 10 10 DGCE CC(C)COc1ncccc1C(=O)N[C@H](C)c1ccccc1O 1302530733 YAAASEHIWLXBHV-CYBMUJFWSA-N 314.385 3.313 10 10 DGCE C[C@H](N)Cc1cnc(SCCCOCC2CCC2)s1 2128299117 CCEBCPGCZPEMSF-NSHDSACASA-N 300.493 3.332 10 10 DGCE CCN(CC)c1ccc(CN2C[C@@H]3CCC[C@H](C2)C3O)cc1 1324747410 WCMMHDXFOXBTGE-JJTKIYQPSA-N 302.462 3.126 10 10 DGCE O=C(Nc1c(Cl)ccc2nonc12)C1CC2(C1)CC2(F)F 1329071554 UYKBRNHJSVKLIS-UHFFFAOYSA-N 313.691 3.250 10 10 DGCE CC[C@@H](C)NC(=O)Cn1c2c(c3cc(OC)ccc31)CCCC2 1347886962 CXKODSWCFMJBEY-CYBMUJFWSA-N 314.429 3.443 10 10 DGCE CNCc1cc(F)c(N(Cc2ccccc2)C[C@@H](C)O)c(F)c1 1914640409 XDOHPQUENMKONW-CYBMUJFWSA-N 320.383 3.072 10 10 DGCE COc1ccc2[nH]cc(CC(=O)NCc3cc(C)ccc3O)c2c1 1453650120 OCVVOTLYRJQUHD-UHFFFAOYSA-N 324.380 3.049 10 10 DGCE C[C@H](NC(=O)N1CC[C@H]2[C@H](C1)C2(F)F)c1ccc(N(C)C)cc1 1469854158 PRQGKEQBAHFHFP-CQDKDKBSSA-N 323.387 3.110 10 10 DGCE NCc1ccc(N2CCc3ccccc3C2)cc1Br 228147026 NZUOVUVNEBINLV-UHFFFAOYSA-N 317.230 3.471 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)c1cc(F)cc(F)c1 1627070448 ZHBAFLHBPAFFHF-UHFFFAOYSA-N 314.291 3.149 10 10 DGCE Cc1ccc2n[nH]cc2c1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 1633315457 QEDLCFACWULHEO-CYBMUJFWSA-N 322.412 3.428 10 10 DGCE CCOC(=O)CN(CCC1CCCC1)Cc1ccccc1O 1659100306 DEKGAZRBNYTRMX-UHFFFAOYSA-N 305.418 3.338 10 10 DGCE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CN(CCCN=[N+]=[N-])CC2 1962299286 LLBJNFKBPSXFIB-STQMWFEESA-N 309.414 3.161 10 10 DGCE Oc1cccc(F)c1CNCc1nc(C(F)(F)F)cs1 1964573749 QDDJLAPIDNGPHG-UHFFFAOYSA-N 306.284 3.296 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]([C@H](N)c2ccccc2O)C12CC2 1977088434 NQCVUTYUAYAFIG-DZGCQCFKSA-N 318.417 3.182 10 10 DGCE N[C@@H]1CCc2cc(N3CC[C@@H](OCc4ccccc4)C3)ccc21 1986603888 DZUNQNYCODSLRM-UYAOXDASSA-N 308.425 3.428 10 10 DGCE CCN1CCc2cc([C@@]3(O)CCN(Cc4ccccc4)C3)ccc21 1999510367 VRRSFOYEXISLPU-OAQYLSRUSA-N 322.452 3.163 10 10 DGCE COc1ccc(N2CC3(CC(OCc4ccccc4)C3)C2)c(N)c1 2000834676 XCBSGVXRKCDGCY-UHFFFAOYSA-N 324.424 3.463 10 10 DGCE NCc1ccc(N2CCS[C@@H]3CC[C@@H]32)c(C(F)(F)F)c1 2152191387 JMIXZEMWVCSQCE-QWHCGFSZSA-N 302.365 3.248 10 10 DGCE C[C@H](C(F)F)N(C)c1ccc(CN)c(Br)c1F 2009016407 ZOYWGWBKLJNIHB-ZCFIWIBFSA-N 311.145 3.137 10 10 DGCE NCc1ccc(N2CC(CC(F)F)C2)c(F)c1Br 2034860248 FWPMFPZFIUPFTD-UHFFFAOYSA-N 323.156 3.138 10 10 DGCE CN(C[C@@H]1CC[C@H]2C[C@@H]21)c1ccc(CO)c(Br)c1 2040242399 YYHWZKYKSUBNAZ-MJVIPROJSA-N 310.235 3.424 10 10 DGCE COc1ccc(C=C2SC(=S)N(C3CC3)C2=O)cc1OC 2053606568 DLWNDQKBVAZBHH-UHFFFAOYSA-N 321.423 3.067 10 10 DGCE CCOC(=O)c1cc(CC)nn1Cc1ccc(Cl)cc1O 2069902741 OLDVENPROKVFRI-UHFFFAOYSA-N 308.765 3.030 10 10 DGCE Cc1ccc([C@@H](n2nc(C)c(C=O)c2N)C(C)(C)C)c(O)c1 2079110895 FSQVVWHJXGVXNX-OAHLLOKOSA-N 301.390 3.236 10 10 DGCE Cc1cc(O)c([C@@H](C)n2nc(C(C)C)c(CO)c2N)cc1C 2079972268 SDNSHECXQQFJGM-GFCCVEGCSA-N 303.406 3.013 10 10 DGCE COc1cc(N2CCC(C)=C(Br)C2)ccc1CO 2084003394 CAPJQCFTEUAJAS-UHFFFAOYSA-N 312.207 3.067 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@@H]1NC(=O)c1cccc(Br)c1 2218746686 XYXVHVZWRKDOKC-QWRGUYRKSA-N 309.167 3.410 10 10 DGCE Cc1ccc([C@@H](C)Nc2cn(C)nc2Br)c(O)c1 2223017086 GQSSUXGPPKLITJ-SECBINFHSA-N 310.195 3.370 10 10 DGCE CC[C@@H](C)NCc1cnc(Sc2n[nH]c(C(C)C)n2)s1 2240000428 MZLHPLLMVIXNJU-SECBINFHSA-N 311.480 3.424 10 10 DGCE CNCc1ccc(N2C[C@@H]3C[C@H]3C2(C)C)c(Br)c1 2257027244 RRGZDVJSRXSQMU-NWDGAFQWSA-N 309.251 3.403 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)N1CCCc2cc(F)ccc21 2307986394 UVRVCXDXQXBSOZ-UHFFFAOYSA-N 313.328 3.230 10 10 DGCE CCc1c(NCc2ccc(C)c(Br)c2O)cnn1C 2352683802 LBUYKEXTVSACRA-UHFFFAOYSA-N 324.222 3.371 10 10 DGCE C[C@@H]1CCC[C@@H](NCc2ccc(N3CCOCC3)cc2)[C@@H]1C 104862643 XNVZDTYNUDERAS-GPMSIDNRSA-N 302.462 3.438 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@@H]1NC(=O)c1nc(Cl)sc1Cl 2218740121 XRPRWNNDHKUTJR-WHFBIAKZSA-N 306.178 3.411 10 10 DGCE COc1ccc(O)c([C@@H](C)Nc2nc(C)ccc2[N+](=O)[O-])c1 178211318 WEHNFVHVESADHW-SNVBAGLBSA-N 303.318 3.186 10 10 DGCE COCC(C)(C)NC(=O)c1cc(C)n(-c2ccccc2)c1C 66745122 RJLJHIXHOXSHRO-UHFFFAOYSA-N 300.402 3.249 10 10 DGCE Oc1ccc(CNCc2ccc(Br)s2)cc1O 37985176 XTPUOBVNQJOZSX-UHFFFAOYSA-N 314.204 3.212 10 10 DGCE Cc1cccc2nc(CN[C@H](C)c3ccc(F)c(F)c3O)cn12 187713593 GQTDXNNEJOMSLV-LLVKDONJSA-N 317.339 3.477 10 10 DGCE CCCn1nccc1NC(=O)c1cc(C)n(-c2ccccn2)c1C 79988658 NEXMPZPLZNHLDF-UHFFFAOYSA-N 323.400 3.348 10 10 DGCE CN(C)c1ccc(CNC[C@H](O)c2ccccc2Cl)cc1F 123795611 KOAYMVVFLFURJX-KRWDZBQOSA-N 322.811 3.368 10 10 DGCE CN(C)C(=O)c1ccccc1NCc1cc(Cl)ccc1O 37124826 KEIDLSBMVSPFGV-UHFFFAOYSA-N 304.777 3.360 10 10 DGCE CC(=O)N(C(=O)c1ccccc1C(F)(F)F)c1ccc(N)cc1 244153028 UWAXSLWRQPLLGG-UHFFFAOYSA-N 322.286 3.481 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1 248732954 PBZSVVNTXDSMDX-OUENDJJVSA-N 303.402 3.009 10 10 DGCE CCCN=c1nc(Sc2nccs2)cc(C(F)F)[nH]1 1893391452 YBGHBLBBGDCFEC-UHFFFAOYSA-N 302.375 3.266 10 10 DGCE C[C@H](NCc1cc(Cl)c(F)cc1O)[C@H](O)c1ccccc1 293966681 QHRIYNIWLGROMM-QFYYESIMSA-N 309.768 3.396 10 10 DGCE C[C@H](NC(=O)N[C@@H]1CCCC1(F)F)c1ccc(N(C)C)cc1 807139827 IJFSILBDZDPHLV-SMDDNHRTSA-N 311.376 3.301 10 10 DGCE Cc1cc(Cl)cc([C@H](C)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c1O 808706553 MRSOKLBOHNJPGW-SQWGHXPGSA-N 322.836 3.014 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CC[C@H]2C[C@H]2C1 827631755 QDELGGGYLBAYHP-SOUVJXGZSA-N 314.429 3.259 10 10 DGCE O=C1/C(=C\c2cocn2)SC(=S)N1c1ccc(F)cc1 588578732 GESLKDZPGFIENQ-VZUCSPMQSA-N 306.343 3.220 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCC[C@@H]3COCC[C@@H]32)cc1 835029567 RKSWMYYAVUROTM-GVKBTVHKSA-N 300.446 3.267 10 10 DGCE CCOc1ncccc1CNC/C=C\c1ccc(N(C)C)cc1 835042247 FVXWCCXGWZDGPT-ALCCZGGFSA-N 311.429 3.349 10 10 DGCE COc1ccc(CNCc2c(O)cc(C)cc2Cl)c(OC)n1 840947324 GEIZSHOMFSKYJH-UHFFFAOYSA-N 322.792 3.056 10 10 DGCE CC[C@@H]1CN(c2ccccc2)CCN1C(=O)Nc1ccc(N)cc1 841295551 BDEQFHMAZUDPAM-QGZVFWFLSA-N 324.428 3.402 10 10 DGCE CN(C[C@@H]1CCc2ccccc21)C(=O)/C=C\c1ccc(O)c(O)c1 856305107 LYIOFAALTGBUAG-UBAGTECSSA-N 323.392 3.299 10 10 DGCE C[C@@H](NCCc1cc(F)ccc1F)c1cc([N+](=O)[O-])ccc1O 756638610 VAKYUBAXLXAIEN-SNVBAGLBSA-N 322.311 3.472 10 10 DGCE Cc1cc(CC(=O)OC[C@H]2CCOC2)c(C)n1-c1ccccc1 853098572 KPSGIOMCMQTRMY-INIZCTEOSA-N 313.397 3.216 10 10 DGCE C[C@@]1(CCNCc2cc(Cl)cc([N+](=O)[O-])c2O)CC1(F)F 850381048 VAJPQVLTCDSJPP-GFCCVEGCSA-N 320.723 3.479 10 10 DGCE C[C@H](NCC[C@@H](C)O)c1cc(Br)cc(Cl)c1O 756573920 SZBKKUVMIWZDCE-SFYZADRCSA-N 322.630 3.230 10 10 DGCE C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1O 755516942 WCAWLKQKOFXFBM-BENRWUELSA-N 312.325 3.020 10 10 DGCE C[C@@H](N[C@H]1c2ccccc2CC[C@H]1O)c1ccc(F)cc1O 927138601 FIMDYSBXEDJFST-ONUMYQOESA-N 301.361 3.230 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)CCc3ccccc3)C2)cc1 855234591 FVAJZPVGHFVZCP-KRWDZBQOSA-N 324.424 3.023 10 10 DGCE CCC[C@H](C)N(C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 854300877 CHRNECNNIQWNNR-LSDHHAIUSA-N 319.449 3.104 10 10 DGCE CC[C@@H](N[C@H]1CC=C(C(=O)OC)C1)c1cc(Cl)ccc1O 858474650 STGIKMBKXKBBRR-GXTWGEPZSA-N 309.793 3.348 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2[C@H](C)C[C@H]2C)cc1 861438812 OWOOKFMETCNJMC-ZIAGYGMSSA-N 324.424 3.458 10 10 DGCE COc1cc(C(F)(F)F)nc(N[C@@H](C)c2ccccc2O)n1 866236869 DIUUFEFDQSIYQM-QMMMGPOBSA-N 313.279 3.383 10 10 DGCE C[C@H](NC(=O)NCC(C)(C)[C@@H]1CCCCO1)c1ccccc1O 868397986 HHIQKHQUXYGRKR-BBRMVZONSA-N 320.433 3.348 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(C(C)=O)s1 935946461 HWMJGGWMPWRXTL-UHFFFAOYSA-N 324.398 3.072 10 10 DGCE c1cc2c(cc1CN[C@H]1CCCCC13CCNCC3)CCO2 873232980 UZHYLXRCPSNOTQ-SFHVURJKSA-N 300.446 3.024 10 10 DGCE C[C@@H]1Nc2cc(Cl)ccc2N(Cc2ccc(N)cc2)C1=O 76888478 NEJDMCSZJHZKLY-JTQLQIEISA-N 301.777 3.269 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCC[C@@H]2OC)cc1 1135945998 AKEOIPMBOPTJEA-MSOLQXFVSA-N 318.461 3.306 10 10 DGCE Cc1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)c2[nH]ncc12 1136447693 FXULHFXXKDJZQH-UHFFFAOYSA-N 322.328 3.286 10 10 DGCE CO[C@@H]1CCC[C@H]1N(C)Cc1cc(Br)ccc1O 687465759 CEUTTZYJNGFWCX-TZMCWYRMSA-N 314.223 3.154 10 10 DGCE Cc1ccc(N2C(=O)/C(=C/c3[nH]cnc3C)SC2=S)cc1 1088723288 NMECQARNVDEPFL-QPEQYQDCSA-N 315.423 3.432 10 10 DGCE CC(C)N[C@]1(CO)C[C@@H](Sc2nccs2)CC[C@@H]1C 2119120040 JLSMZPPAHQGOHG-OBJOEFQTSA-N 300.493 3.153 10 10 DGCE CC(C)N[C@]1(CO)C[C@@H](Sc2nccs2)CC[C@H]1C 2119120039 JLSMZPPAHQGOHG-DYEKYZERSA-N 300.493 3.153 10 10 DGCE CN(Cc1ccccc1O)C(=O)Cc1nsc2ccccc12 1465843005 MGYQANRBVRQRBM-UHFFFAOYSA-N 312.394 3.203 10 10 DGCE CCCCNCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(OC)c1 212668864 QLXGAOSYBPAWQD-HUUCEWRRSA-N 306.450 3.199 10 10 DGCE O=C(CCSCc1ccccc1)NCc1cc(O)ccc1O 1471662325 ZEIMKILPGAFRNU-UHFFFAOYSA-N 317.410 3.038 10 10 DGCE COc1ccc(N(C)CC(=O)N(C)[C@@H]2CCCC[C@H]2C)cc1 1559970046 ZVWBXAVMWKAHEX-RHSMWYFYSA-N 304.434 3.169 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1cnc(C2CC2)o1 1639387480 LKEKNSWJTAVHRY-UHFFFAOYSA-N 308.337 3.341 10 10 DGCE CC[C@H](C)N(C[C@@H](N)c1ccccc1O)C(=O)OC(C)(C)C 1928469292 GTFZDQISDZIPOE-GXTWGEPZSA-N 308.422 3.428 10 10 DGCE COc1cccc(C(F)(F)C(=O)N[C@@H](C)c2ccccc2O)c1 1648894280 KBKDRMFLWGODQQ-NSHDSACASA-N 321.323 3.370 10 10 DGCE COc1cccc(SCC(=O)NCc2cc(C)ccc2O)c1 1584983639 NYEIZHCUWMJQOK-UHFFFAOYSA-N 317.410 3.118 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)c1coc2cc(O)ccc12 1583821013 QXMCAMDSYTVOTK-UHFFFAOYSA-N 317.728 3.427 10 10 DGCE O=C(NCc1cccc(Cl)c1O)NC[C@@H]1CCC[C@H]2C[C@@H]21 1684056465 XLXGEKQRLFSUEG-GVXVVHGQSA-N 308.809 3.281 10 10 DGCE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1CCCN=[N+]=[N-] 1962287141 FUFHBQKJRBKBPW-QWHCGFSZSA-N 311.430 3.455 10 10 DGCE CC1(C)OC(=O)C(=CNc2ccc(Cl)c(Cl)c2)C(=O)O1 14795546 UAXDVEJPYPFRCX-UHFFFAOYSA-N 316.140 3.125 10 10 DGCE C[C@@H](c1ccccc1O)N(C)C(=O)c1cccc(Cl)c1N 155906266 CKGNKENIUHUMCV-JTQLQIEISA-N 304.777 3.461 10 10 DGCE CCN[C@@H](c1ccccc1O)c1sncc1Br 1942401311 RODSTXQEDMAUQS-NSHDSACASA-N 313.220 3.310 10 10 DGCE CN(Cc1nc(Br)cs1)Cc1ccccc1O 1137782629 ZKJJQSWEDSPPDE-UHFFFAOYSA-N 313.220 3.243 10 10 DGCE CCc1ccccc1NC(=O)CNCc1cc(Cl)ccc1O 1857857869 KTZQJVVLDDRACI-UHFFFAOYSA-N 318.804 3.336 10 10 DGCE CC[C@H](NC[C@H]1C[C@@H]1NC(=O)OC(C)(C)C)c1ccccc1O 1978008133 FQXYPOQJOFWXTQ-SNPRPXQTSA-N 320.433 3.346 10 10 DGCE CCC1(N(C)c2ccc(CN)c(Br)c2F)CC1 2003349060 DVEPPZNKQMWYLR-UHFFFAOYSA-N 301.203 3.426 10 10 DGCE C[C@@H]1CN(c2ccc3c(c2)CC[C@H]3O)CCN1Cc1ccccc1 2012704789 GMQYLQYTRRVHAA-IIBYNOLFSA-N 322.452 3.377 10 10 DGCE C[C@@H](N)c1ccc(N(C)CC2(F)CC2)cc1Br 2025729584 DQEJAFRTQKDSNF-SECBINFHSA-N 301.203 3.407 10 10 DGCE Cc1cc(C=C2SC(N3CCCCC3)=NC2=O)cc(C)c1O 2040454099 HQGUNIKFDMFJSQ-UHFFFAOYSA-N 316.426 3.465 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)c1ccc(Cl)nc1Cl 701318810 IJOPESVGLLTGNT-ZETCQYMHSA-N 300.149 3.303 10 10 DGCE Cc1ccc(O)c([C@H](C)NCc2cc(Br)no2)c1 718881894 NBPYKYFNIHCZHE-VIFPVBQESA-N 311.179 3.302 10 10 DGCE COc1ccc(O)c([C@H](C)n2ncc(C3CCCC3)c2N)c1 2070217290 IUOMYROOXVZTIO-NSHDSACASA-N 301.390 3.446 10 10 DGCE Cc1c(C2CC2)nn(Cc2ccc(Br)cc2O)c1N 2079744099 UPGGJWWDJYHPAK-UHFFFAOYSA-N 322.206 3.168 10 10 DGCE CN(CC1(Br)CC1)c1ccc2c(c1)CCC[C@@H]2O 2076270099 SUKGSVBOOXXHKR-AWEZNQCLSA-N 310.235 3.420 10 10 DGCE Nc1cccc(Br)c1NCCc1ccc(O)c(O)c1 2091757893 BVSQBPRJXNYCIP-UHFFFAOYSA-N 323.190 3.097 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@H]1NC(=O)C1CC(OCc2ccccc2)C1 2210541696 ZJGUIIRDFMHKEQ-FJBKBRRZSA-N 314.389 3.329 10 10 DGCE COc1ccc(Br)c(CN2CCC[C@@H](C)C2)c1O 1231547844 KIYMDDNORIEDKZ-SNVBAGLBSA-N 314.223 3.395 10 10 DGCE CC1(CNCc2cccc(Br)c2O)CCOCC1 227834913 XTEXPAAFODAPCK-UHFFFAOYSA-N 314.223 3.061 10 10 DGCE Cc1ccc(C2=NN[C@H](c3cc(Br)ccc3O)C2)o1 20390606 JICGXWUYVVVXBZ-NSHDSACASA-N 321.174 3.495 10 10 DGCE O=C(/C=C/c1cncc(O)c1)N1CCc2ccc(Cl)cc21 179533971 WZDFFZJQOUDSSC-DAFODLJHSA-N 300.745 3.043 10 10 DGCE Cc1nc(CN(C)c2ccc(/C=C\C(=O)O)cc2F)cs1 217685287 LLJUBHUSUVTRBQ-XQRVVYSFSA-N 306.362 3.325 10 10 DGCE C[C@@H](N[C@H]1CCCn2ncnc21)c1cc2c(cc1O)CCCC2 185663056 TVAMKFBXOPUEOC-WBMJQRKESA-N 312.417 3.048 10 10 DGCE CN(CC[C@H](O)c1cccs1)c1ccc(CO)cc1Cl 2365923400 CBVJBOFLASZOJV-AWEZNQCLSA-N 311.834 3.454 10 10 DGCE CC[C@@]1(C)CN(c2cc(Cl)c(OC)cc2OC)[C@H](C)CN1 86220369 WOXPIQXGIGXQMF-BZNIZROVSA-N 312.841 3.324 10 10 DGCE CC(C)(C)OC(=O)Nc1oncc1COc1ccc(N)cc1 1952464899 FOPHBZIYKQLOIB-UHFFFAOYSA-N 305.334 3.183 10 10 DGCE CC[C@@H](NC1CCN(c2ccccn2)CC1)c1ccccc1O 192709303 AXRBJVBLDUAIQW-QGZVFWFLSA-N 311.429 3.497 10 10 DGCE CCCOc1ccc(CN(CC(=O)OC)C2CCCC2)c(O)c1 93707483 ZDOREVYKCIXWHG-UHFFFAOYSA-N 321.417 3.099 10 10 DGCE N[C@@H](CC(F)(F)F)c1cc(Br)cc(F)c1O 95706657 LZFDBCYFERZREX-ZETCQYMHSA-N 302.065 3.246 10 10 DGCE Cc1cc(CN(C)Cc2cccc(Br)c2O)no1 92254447 ULBPZHXAIRXXDJ-UHFFFAOYSA-N 311.179 3.083 10 10 DGCE CC(C)N[C@@]1(CO)CCC[C@@H]1CCSc1nccs1 93623212 SUAPVQAWJQBORB-TZMCWYRMSA-N 300.493 3.155 10 10 DGCE CSc1ncc(CN[C@@]2(C(=O)O)CCC23CCCC3)s1 2374081564 LJIIKTSYORFGDL-CQSZACIVSA-N 312.460 3.132 10 10 DGCE C[C@@](COCc1ccccc1)(Sc1nccs1)C(=O)O 1893483262 KYWCFFYNVYVWQB-AWEZNQCLSA-N 309.412 3.295 10 10 DGCE CN1CC[C@H](N[C@H]2CCc3cccc(O)c32)[C@@H]1c1ccccc1 296966963 RIVSVHUUHRAUJE-ZWOKBUDYSA-N 308.425 3.415 10 10 DGCE OCc1ccc(N2CCS[C@H](C(F)(F)F)C2)cc1Cl 721383342 MCDRDYFUSSSALM-NSHDSACASA-N 311.756 3.316 10 10 DGCE Cc1cc(Cl)cc(CNCc2c(C3CC3)cnn2C)c1O 827252067 VRYCHLAZITYXHV-UHFFFAOYSA-N 305.809 3.255 10 10 DGCE CC(C)CSCCCNC(=O)/C=C\c1ccc(O)c(O)c1 588407601 IVZSTOTZXCAYKM-ALCCZGGFSA-N 309.431 3.007 10 10 DGCE CN[C@H](c1ccccc1O)[C@@H]1[C@H](NC(=O)OC(C)(C)C)C1(C)C 1894377718 BGIJOQOCFGLSOI-KFWWJZLASA-N 320.433 3.202 10 10 DGCE CN1CCC[C@@H](CCNC/C=C\c2ccc(N(C)C)cc2)C1 839182848 QPFDCHTUEQSOOH-SUZKBHRPSA-N 301.478 3.087 10 10 DGCE COC(=O)c1cc(CNCc2cc(Cl)ccc2O)c(C)o1 848919514 MISZHLZJHQDCMO-UHFFFAOYSA-N 309.749 3.023 10 10 DGCE C[C@@H](NC[C@@]1(CO)CCc2ccccc21)c1ccc(N(C)C)cc1 846177718 FILMTLTZOUALIC-IIBYNOLFSA-N 324.468 3.280 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CNc3ccc(N)cc3)C[C@@H]21 1897993953 DTAJKQRWULIZFY-WQVCFCJDSA-N 317.433 3.326 10 10 DGCE COC[C@@H](CC(C)(C)C)N[C@H]1CCN(c2ccc(OC)cc2)C1 850485646 AIFVCLFJHVQLAZ-JKSUJKDBSA-N 320.477 3.315 10 10 DGCE Cc1nn(C)c(C)c1C[C@H](C)N[C@@H](C)c1cc(F)cc(F)c1O 756615982 YABBQIFONDJEIR-UWVGGRQHSA-N 323.387 3.303 10 10 DGCE C[C@H]1CCN(Cc2c(O)ccc3ccncc23)C[C@@H]1n1ccnc1 759156659 HJDKUIGLUGDTQF-KSSFIOAISA-N 322.412 3.220 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2cnn(C(C)C)c2Cl)c1 862754229 VEPWYQQZMOSNBY-UHFFFAOYSA-N 307.781 3.061 10 10 DGCE COc1ccc(O)c([C@@H](C)Nc2cc(C)cc(OCCO)c2)c1 774507502 FAPDILRBNKMLNM-CYBMUJFWSA-N 317.385 3.253 10 10 DGCE C[C@@H]1CN(Cc2cccc(Cl)c2O)CCN1c1ccncc1 895558287 VDDJBKHPDIVMLA-CYBMUJFWSA-N 317.820 3.151 10 10 DGCE COc1ccc(O)c(C(=O)NCc2c(O)ccc3ccccc23)c1 1157041480 HQMIPLHZZWBERH-UHFFFAOYSA-N 323.348 3.190 10 10 DGCE Cc1c(/C=C/C(=O)N(C)c2ccc(F)c(Cl)c2)cnn1C 180211501 JMDIPJJTBOIBKK-QPJJXVBHSA-N 307.756 3.197 10 10 DGCE C[C@@H](NC(=O)NC[C@H]1C[C@H]2C=C[C@H]1C2)c1ccc(N(C)C)cc1 1234555707 NAZSJUVBUUAJSQ-YQFWSFKMSA-N 313.445 3.325 10 10 DGCE CN(C)c1ccc(CNC(=O)c2ccc3ccn(C)c3c2)cc1 1355879148 SHESSBAQUVQHMW-UHFFFAOYSA-N 307.397 3.174 10 10 DGCE Cc1nc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)c(C)o1 1523560459 RMXBSTUXEHXPSW-UHFFFAOYSA-N 313.401 3.164 10 10 DGCE Cc1ccc(/C=C\C(=O)N(C)Cc2ccc(N(C)C)cc2)cn1 1463771568 ZSONMAKRVGHJQS-XFXZXTDPSA-N 309.413 3.128 10 10 DGCE CCCC[C@@H](O)CCC(=O)NCc1ccc(N(C)C)cc1C 1465028510 GHAYBUFEDYZZDI-QGZVFWFLSA-N 306.450 3.009 10 10 DGCE C[C@H](NC(=O)[C@H](c1ccccc1)n1cccn1)c1ccccc1O 1471194409 JZPJMRDTFBPEQK-KSSFIOAISA-N 321.380 3.056 10 10 DGCE Cc1ccc(C(=O)N[C@@H]2CCCc3c(F)cccc32)c(O)c1O 1625368725 REQGEXRWWQSUOY-OAHLLOKOSA-N 315.344 3.353 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](CC)CC(F)(F)F 1623573542 BRKWUWBYYZJJIT-SNVBAGLBSA-N 324.339 3.473 10 10 DGCE C[C@H](NC(=O)Cc1nsc2ccccc12)c1ccccc1O 1557967892 ADPLZNVNBTUYFF-NSHDSACASA-N 312.394 3.422 10 10 DGCE CCC[C@H](CC)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 1631380974 ROXUWHHQOABHCO-AWEZNQCLSA-N 322.424 3.309 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)[C@@H]1C[C@H]1c1ccccc1 1639624881 NSGKEJVZZWFBLK-DLBZAZTESA-N 318.376 3.360 10 10 DGCE C[C@@H](c1ccccc1)N(C(=O)Cc1ccc(O)c(O)c1)C1CC1 1635084458 NJKUWJLNUWGDQW-ZDUSSCGKSA-N 311.381 3.393 10 10 DGCE CC[C@H](C)C(=O)NC[C@H]1C[C@H](NCc2ccc(OC)c(C)c2)C1 1691768225 PTHBXSZXTHUDHU-JQFCIGGWSA-N 318.461 3.034 10 10 DGCE CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1CCCN=[N+]=[N-] 1962288064 QRXPAPKEVNSPGQ-ZDUSSCGKSA-N 311.430 3.456 10 10 DGCE C[C@H](NCC[C@@H](C)[S@](C)=O)c1ccc2ccccc2c1O 168847434 BISOSPXBFPINOB-RRMDADRESA-N 305.443 3.353 10 10 DGCE C[C@@H](Oc1ccc(N)cc1)C(=O)NC12CC3CC(CC(C3)C1)C2 1860082413 MGLANUGQPDMKHO-XUXNNNHQSA-N 314.429 3.121 10 10 DGCE CCN(CC)c1ccc([C@@H](CN)N(C)c2ccc(O)cc2)cc1 32077814 VDDVVEVKJIONEJ-LJQANCHMSA-N 313.445 3.375 10 10 DGCE C[C@H]1CSCCCN1c1ccc(CO)c(Br)c1 1940238938 SLKBGBINTDVXFQ-JTQLQIEISA-N 316.264 3.273 10 10 DGCE C[C@H](N(C)c1ccc(CN)c(Br)c1)C(F)(F)F 1946325690 QIYMPIKNAUWFSM-ZETCQYMHSA-N 311.145 3.295 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC1C[C@H]2COC[C@@H]2C1 1967786298 DPKSFKXTFNYHGI-UWVGGRQHSA-N 302.201 3.214 10 10 DGCE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(Cc2ccc(N)cc2)C1 1977926172 OJHOAFUYHWFNQA-CZUORRHYSA-N 319.449 3.004 10 10 DGCE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)c1ccc2c(c1)CCCN2C 1977935616 PWHBXGYMSPBUPB-MLGOLLRUSA-N 320.433 3.016 10 10 DGCE Oc1c(F)cc(Br)cc1CN[C@H]1CCC[C@H]1F 2006779829 AZAAMHYVVKHGIN-KOLCDFICSA-N 306.150 3.274 10 10 DGCE Oc1cccc(Br)c1CN[C@@H]1C[C@H]2C[C@H]1C[C@H]2F 2039900161 QBDXKVMMTVVVGX-OTMMVIPVSA-N 314.198 3.381 10 10 DGCE NCc1cc(F)c(N2CC[C@H]3CC[C@H]2C3)cc1Br 2049725577 MTMSOTUVPXYKBL-KOLCDFICSA-N 313.214 3.426 10 10 DGCE COc1ccc(Br)c(NCc2ccc(O)c(O)c2)c1 88316565 PTIKFBBYJQVIBF-UHFFFAOYSA-N 324.174 3.481 10 10 DGCE COc1ccc(CNCc2c(O)cccc2Br)cc1 706828610 JNJBLUXOKOCMFA-UHFFFAOYSA-N 322.202 3.453 10 10 DGCE Oc1cc(Br)ccc1CN[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 691455820 RJGXVQWALQMTPS-LRQZZLGCSA-N 308.219 3.289 10 10 DGCE CC[C@@H]1SCCS[C@H]1[C@H](N)c1ccc2c(c1)CCN2C 2163061737 HXJGRPRLJGZJQF-ARFHVFGLSA-N 308.516 3.306 10 10 DGCE C[C@H](O)c1ccc(N(C)Cc2cnn(C)c2Cl)cc1Cl 2166111116 XPYFZVUOCXTPFG-VIFPVBQESA-N 314.216 3.417 10 10 DGCE Cc1cc(C(=O)OC(C)(C)C)n(Cc2cccc(C)c2O)n1 2070003574 VKOAVWVNKPFHTD-UHFFFAOYSA-N 302.374 3.209 10 10 DGCE Nc1cc(C2CCC2)nn1Cc1cc(Br)ccc1O 2070144430 JDIPSASOHCXYPT-UHFFFAOYSA-N 322.206 3.249 10 10 DGCE Nc1c(C2CCCCC2)cnn1Cc1ccc([N+](=O)[O-])cc1O 2070286959 ZOXLXRGTSMFALQ-UHFFFAOYSA-N 316.361 3.175 10 10 DGCE CN(Cc1c(O)cccc1Cl)[C@@H]1CO[C@H](C(F)(F)F)C1 2185543093 ODNJGRFYWPKZSJ-UFBFGSQYSA-N 309.715 3.197 10 10 DGCE Nc1cccc(Br)c1N[C@H]1CCNC12CCCC2 2071642747 RAHXKHOPKFMVPQ-LBPRGKRZSA-N 310.239 3.118 10 10 DGCE CN1CCc2cc([C@H](N)c3cccc(Br)c3)ccc21 2098449140 LBTBCDTYQVOBES-MRXNPFEDSA-N 317.230 3.490 10 10 DGCE C[C@@H](c1ccc(Cl)cc1O)N1CCN(CCCF)CC1 2203362229 CZBONGKDPKCUQC-LBPRGKRZSA-N 300.805 3.084 10 10 DGCE Nc1cccc(Br)c1N[C@H](C(F)F)[C@@H]1CCOC1 2223187713 BJZCHIDOMHBIPK-XCBNKYQSSA-N 321.165 3.113 10 10 DGCE CSc1ncc(Cn2cncc2[C@@H](CN)CC(C)C)s1 2284727462 MWTJIHZVWGFJFW-LLVKDONJSA-N 310.492 3.198 10 10 DGCE CN1C(=O)C(=Cc2ccc(N3CCCC3)nc2)c2ccccc21 2298752335 YOACRKMQRRWBKK-UHFFFAOYSA-N 305.381 3.199 10 10 DGCE Oc1c(F)cc(Br)cc1CNC[C@H]1C[C@@H](F)C1 2307395705 VKXXWPYFYFJOFR-WKFQBHICSA-N 306.150 3.132 10 10 DGCE CO[C@@H](CNCc1ccc(C)c(Br)c1O)C(C)C 2327630364 RMXFDFVJEJTJMP-LBPRGKRZSA-N 316.239 3.224 10 10 DGCE Cc1ccc(CN2CC(F)(C3CC3)C2)c(O)c1Br 2327609344 ZAECLGOPFYXZRP-UHFFFAOYSA-N 314.198 3.397 10 10 DGCE C[C@]12CO[C@H](C1)[C@@H](NCc1cc(Cl)cc(Cl)c1O)C2 2334542365 NVIOLQPTDLTBOR-OUCADQQQSA-N 302.201 3.356 10 10 DGCE CC12CC(C1)[C@@H](NCc1cc(Cl)cc(Cl)c1O)CO2 2337706507 ODBIDSYBRPISRU-PEUVISTOSA-N 302.201 3.356 10 10 DGCE CCC1(CC)OCCC[C@@]1(Sc1nccs1)C(=O)O 2351991228 OTUQXJOSTSOMJX-CYBMUJFWSA-N 301.433 3.428 10 10 DGCE Cc1ccc(CNC(=O)[C@@H]2[C@H]3CCC[C@H]32)c(O)c1Br 2352642664 HOYLRAQMDIFODT-GDNZZTSVSA-N 324.218 3.125 10 10 DGCE CN(C(=O)c1cc(F)ccc1Br)c1ccc(N)cc1 34939049 OVSMGQDYURILQD-UHFFFAOYSA-N 323.165 3.447 10 10 DGCE Nc1ccc(CC[S@@](=O)c2ccccc2Br)cc1 40969412 DVGFRWFQQKGPAZ-SFHVURJKSA-N 324.243 3.382 10 10 DGCE COc1ccc(O)c(CNC(=O)[C@H]2C[C@@H]2c2ccccc2C)c1 77615023 SBKQZEJJFOFCJN-SJORKVTESA-N 311.381 3.129 10 10 DGCE CCOC(=O)[C@H](CN=[N+]=[N-])Nc1ccccc1Br 91314466 WPUIQWMFLXOXOC-JTQLQIEISA-N 313.155 3.103 10 10 DGCE N[C@H](c1c(O)cc(Br)cc1Br)C1CC1 95706286 ITRKCEIVMDUBRN-JTQLQIEISA-N 321.012 3.327 10 10 DGCE COc1ccccc1-n1c(C)cc(CNC[C@@H]2CCCO2)c1C 113704243 PPYAYOKKTLSOJZ-KRWDZBQOSA-N 314.429 3.371 10 10 DGCE C[C@H](NCCCNC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 119745604 VTAPINHCGYDRHP-AWEZNQCLSA-N 321.465 3.318 10 10 DGCE C[C@H](NC1CCN(c2ccccn2)CC1)c1ccc(N(C)C)cc1 124341548 CIFIADWAOCFTRT-INIZCTEOSA-N 324.472 3.467 10 10 DGCE CN(C)C[C@@H]1CCCN1c1ccc(CNC2CC2)cc1Cl 164053698 PJBMTSAFJWOHJG-HNNXBMFYSA-N 307.869 3.122 10 10 DGCE C[C@@H]1CN(Cc2ccc(N)cc2)C[C@@H](C)N1C(=O)OC(C)(C)C 208529564 YZHLBOUGUWVGJW-ZIAGYGMSSA-N 319.449 3.099 10 10 DGCE Cc1n[nH]c(C)c1Cc1ccc(C(=O)Nc2ccc(N)cc2)cc1 212556231 DDZUSXDXXLIUGW-UHFFFAOYSA-N 320.396 3.452 10 10 DGCE CO[C@@H](C)[C@@H](C)N[C@H](C)c1cc(Br)ccc1O 290196497 OTKRFVYHYHAMON-BBBLOLIVSA-N 302.212 3.229 10 10 DGCE COc1ccc(CNC[C@H](C)N(C)C(=O)OC(C)(C)C)cc1C 304275700 LFSIRAJSJULHBZ-AWEZNQCLSA-N 322.449 3.349 10 10 DGCE CC[C@H](c1cc(Br)ccc1O)N1CC[C@@H](N)[C@H]1C 310668262 HJXKJLAHXFLLQL-OASPWFOLSA-N 313.239 3.027 10 10 DGCE C[C@H](N)c1ccc(N2CCO[C@@H](C)[C@@H]2C)c(Br)c1 380581796 XTMBSYLIJQODBX-DCAQKATOSA-N 313.239 3.082 10 10 DGCE C[C@H](N[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)c1cc(O)ccc1O 381660620 AIFLIQNHYBLCTO-SRVKXCTJSA-N 324.421 3.050 10 10 DGCE CC(C)(C)OC(=O)NC/C=C/CN[C@@H]1CCc2cccc(O)c21 381908104 YVLFPTWRVXEHQX-ISZGNANSSA-N 318.417 3.050 10 10 DGCE C[C@H](NC[C@@H]1c2ccccc2C(=O)N1C)c1ccc(F)cc1O 528001019 GGPKJBZWKJQUSE-MEDUHNTESA-N 314.360 3.009 10 10 DGCE CN(C)c1ccc2c(c1)CN(C(=O)CCc1ccccc1)CCO2 581789664 DVULRKVRPOETRB-UHFFFAOYSA-N 324.424 3.106 10 10 DGCE CNCc1cc(F)c(N2CCS[C@H](C(C)C)C2)c(F)c1 687998229 SKPOHWMNJDJDKI-AWEZNQCLSA-N 300.418 3.262 10 10 DGCE CC[C@H]1COC[C@H]1N(C)Cc1ccc(Br)cc1O 691678154 FWFONSXBVRLLPV-GXFFZTMASA-N 314.223 3.012 10 10 DGCE CC[C@H]1C[C@H](N(C)Cc2ccc(Br)cc2O)CO1 691684969 XFZRHBVXQCRKPX-STQMWFEESA-N 314.223 3.154 10 10 DGCE Oc1c(F)cc(Br)cc1CNCc1ccsn1 715744961 LLJVLZNKGHAXRF-UHFFFAOYSA-N 317.183 3.040 10 10 DGCE C[C@H](CC(F)F)NCc1cc(Br)cc(F)c1O 715791308 ZYCMGULNHCPYNH-ZCFIWIBFSA-N 312.129 3.427 10 10 DGCE CNCc1ccc(N2CCS[C@@H](C(F)(F)F)C2)cc1C 721390919 QXKJGDNXCSMACK-CYBMUJFWSA-N 304.381 3.199 10 10 DGCE CN(C)c1ccc(/C=C\c2nccc(-c3cnn(C)c3)n2)cc1F 769614681 MCKYJFBMTHYYSC-ALCCZGGFSA-N 323.375 3.253 10 10 DGCE C[C@H](NCC[C@@H](C)[S@](C)=O)c1ccc(N2CCCCC2)cc1 773063370 IIENSVAOXGTEDV-VVBPWWLESA-N 322.518 3.485 10 10 DGCE COc1ccc(O)c(CN[C@H](C)[C@@H]2Oc3ccccc3[C@@H]2C)c1 776231155 NLTBDZFXMXAPHR-XEKQOVJPSA-N 313.397 3.444 10 10 DGCE Cc1cccc(C2(O)CCN(Cc3ccccc3O)CC2)c1C 779022835 IMRLWGYXRKMOJA-UHFFFAOYSA-N 311.425 3.493 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCc2c(F)cccc21 779501044 UWXNUIWKIZZGAO-BOSPYUDASA-N 313.328 3.054 10 10 DGCE COc1cccc(-c2cc(C)c(=O)n(Cc3ccc(N)cc3)c2)c1 821180086 BOQMQQAUGFTOBH-UHFFFAOYSA-N 320.392 3.463 10 10 DGCE CC1=CC[C@](C)(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)CC1 831931815 VCNIIUYYHZNBDF-UGSOOPFHSA-N 303.402 3.282 10 10 DGCE COC(=O)c1cnc(/C=C\c2ccc(N(C)C)cc2C)s1 840717238 OUUQZXXGGSFIOK-VURMDHGXSA-N 302.399 3.475 10 10 DGCE Cc1cc(O)c(CNC[C@H]2NCCc3ccccc32)c(Cl)c1 841066745 GIZSJNMBOUZVSH-QGZVFWFLSA-N 316.832 3.331 10 10 DGCE C[C@H](NC(=O)Nc1ccc(N)cc1)[C@H]1Oc2ccccc2[C@@H]1C 841298822 DDBUAQFIZOHRSQ-PRXAMGSTSA-N 311.385 3.344 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)c2csc(C)c2)cc1 844855910 JDUIBSYKCYJBFN-UHFFFAOYSA-N 318.442 3.274 10 10 DGCE Oc1c(F)cc(Cl)cc1CN[C@@H]1CNc2ccccc2C1 844909015 ZLOOPHQVZJBERO-ZDUSSCGKSA-N 306.768 3.311 10 10 DGCE C[C@@H](NCc1cc(Cl)ccc1O)[C@@](C)(O)c1ccccc1 846039715 REIIPMROSBTYCO-SJKOYZFVSA-N 305.805 3.431 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@@H]1CCCc2c[nH]nc21 857868856 DXXIYUIJDWXHOL-RDTXWAMCSA-N 312.461 3.382 10 10 DGCE CC1(C)CCC[C@](O)(CNC(=O)Nc2ccc(N)cc2)CC1 868164194 VUPJZDDSANJTKU-QGZVFWFLSA-N 305.422 3.112 10 10 DGCE Cc1csc([C@@H](C)CNC(=O)N[C@@H](C)c2ccccc2O)n1 868496103 CUWWOBWAMPZLAP-JQWIXIFHSA-N 319.430 3.321 10 10 DGCE CC1(C)CNCC[C@@H](NCc2c(O)ccc(Cl)c2F)C1 872254331 ZTANIPKQEHHHTN-SNVBAGLBSA-N 300.805 3.053 10 10 DGCE C[C@@H](N[C@H](CCN(C)C)c1cccnc1)c1c(O)cccc1F 903379518 XIZASDFQPBTWGG-CZUORRHYSA-N 317.408 3.270 10 10 DGCE O=C(NCc1c(O)cccc1F)N[C@@H]1CCCc2sccc21 922014052 FIMZFUZRRVGEIK-CYBMUJFWSA-N 320.389 3.470 10 10 DGCE c1cc2c(cc1CN[C@@H](C1CC1)[C@H]1CCCOC1)CCCO2 922901290 OREUFKNAEMPLKF-HKUYNNGSSA-N 301.430 3.306 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)NC[C@H](COC)C(C)C 927583858 DNLMOMRWTCURLL-MRXNPFEDSA-N 322.449 3.232 10 10 DGCE CC[C@@H](C)n1ncc(NC(=O)N2Cc3cccc(O)c3C2)c1C 931069218 CSTQKRHATNRLEA-LLVKDONJSA-N 314.389 3.416 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)c2ccc3ccncc3c2)c1 1137473470 KKWQAHCOMFSTAK-GFCCVEGCSA-N 322.364 3.440 10 10 DGCE Cc1ccc(CN[C@H]2CN(Cc3ccccc3)C[C@H]2C)c(O)c1 1308667836 GGWIADCZUXLCLO-APWZRJJASA-N 310.441 3.311 10 10 DGCE Cc1c(NC(=O)c2cc(O)cs2)cnn1-c1ccc(F)cc1 1452806422 WEQFQUDKJDPMQK-UHFFFAOYSA-N 317.345 3.339 10 10 DGCE O=C(NC[C@H]1C[C@H]1C1CCCC1)N1Cc2cccc(O)c2C1 1521342134 CVEQTRWBHFUNKE-CABCVRRESA-N 300.402 3.244 10 10 DGCE Cc1ccccc1[C@@H]1C[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 1583739169 NLJFYCCFMXGYNE-JKSUJKDBSA-N 322.368 3.443 10 10 DGCE CC(C)C[C@@H]1CCCCCN1C(=O)Cc1ccc(O)c(O)c1 1586491687 ZXYWDZBDMTUXFB-HNNXBMFYSA-N 305.418 3.458 10 10 DGCE CCN(CC)c1ccc(CNC(=O)c2cnc3ccccn23)cc1 1625014597 PWQCKFMASFUPPN-UHFFFAOYSA-N 322.412 3.111 10 10 DGCE Cc1cc(C)c(NC(=O)c2ccc(N=NC(N)=O)cc2)cc1O 1633519794 BESYXCLBQKQSLK-UHFFFAOYSA-N 312.329 3.424 10 10 DGCE CCOC(=O)/C=C/CN(C)c1ccc(-c2nccs2)cc1 1654678902 NLLMTZXMXXZBIN-SNAWJCMRSA-N 302.399 3.366 10 10 DGCE C[C@@H](NC(=O)NCc1cccc2[nH]ccc12)c1ccccc1O 1683639486 RYUTYJFKPNAXCS-GFCCVEGCSA-N 309.369 3.434 10 10 DGCE O=C1/C(=C\c2ccc[nH]2)C(c2ccccc2)=NN1c1ccccn1 1865677892 IXBKDXMRLXYVMV-SSZFMOIBSA-N 314.348 3.244 10 10 DGCE O=C(NC1(c2ccccc2)CCCC1)c1cc(O)c(O)c(O)c1 1865876115 SAGIPRCPEBYOPB-UHFFFAOYSA-N 313.353 3.003 10 10 DGCE CC(C)(C)OC(=O)N1CCC2CC1(COc1ccc(N)cc1)C2 1900076373 YLACFWRJNKSORB-UHFFFAOYSA-N 318.417 3.437 10 10 DGCE CC[C@H]1CCOCCN1Cc1ccc(Br)cc1O 1913685085 YHUNXPDFCNVFEC-ZDUSSCGKSA-N 314.223 3.156 10 10 DGCE CC[C@H](O)CN(Cc1ccccc1)c1ccc(CO)cc1F 1915097452 VQLLWCLPGASVCW-INIZCTEOSA-N 303.377 3.096 10 10 DGCE C[C@H](Nc1csnc1Br)c1c(O)cccc1O 1926858075 DWRSBDPKPLDHBK-LURJTMIESA-N 315.192 3.490 10 10 DGCE CC(C)CCONCc1cc(Br)cc(F)c1O 1944557504 IGLNVKBMTTVWMW-UHFFFAOYSA-N 306.175 3.361 10 10 DGCE CN(C)c1ccc([C@@H]2[C@@H](N)CCCN2C(=O)OC(C)(C)C)cc1 1952570748 GLZIREVCHSVHGF-JKSUJKDBSA-N 319.449 3.152 10 10 DGCE Cc1cc(F)c(Br)cc1C(=O)NCCCN=[N+]=[N-] 1963703912 HVAFXQXSJQVNGB-UHFFFAOYSA-N 315.146 3.327 10 10 DGCE Cc1cccc(N)c1N[C@@H]1[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@H]21 1977673947 HILSFVLJCWNGAT-APHBMKBZSA-N 317.433 3.387 10 10 DGCE CC[C@H](C[C@@H](N)c1ccc(N(C)C)cc1)NC(=O)OC(C)(C)C 1977945194 MFDCHAWRTRMNJT-GDBMZVCRSA-N 321.465 3.446 10 10 DGCE CN[C@H]1CCc2cc(N3CC(OCc4ccccc4)C3)ccc21 1986603913 FKNPPXVULRODOO-FQEVSTJZSA-N 308.425 3.299 10 10 DGCE CC[C@H]1[C@H](N[C@@H](C)c2ccccc2O)CN1C(=O)OC(C)(C)C 1991576244 NVWCCVOGCYHEAM-CFVMTHIKSA-N 320.433 3.441 10 10 DGCE CCNCc1ccc(N2CC[C@@H]2CF)c(Br)c1 2011857219 RQZBHRNLQBKFJQ-LLVKDONJSA-N 301.203 3.107 10 10 DGCE N[C@H]1CCc2cc(N(Cc3ccccc3)[C@H](CO)C3CC3)ccc21 2012710478 WGELIAAMIZZGTR-LEWJYISDSA-N 322.452 3.410 10 10 DGCE CNCc1ccc(N(C)C[C@H]2CC2(F)F)c(Br)c1 2036085985 XQLQGJANWONRNZ-SNVBAGLBSA-N 319.193 3.260 10 10 DGCE CCCNCc1cnc(Sc2nnc(CC)s2)s1 2037792976 FSUWVSQNFTYYLW-UHFFFAOYSA-N 300.478 3.208 10 10 DGCE Cc1nc(C(=O)Cc2ccc(N)cc2)ccc1Br 2039341763 SMFFOGORFANODJ-UHFFFAOYSA-N 305.175 3.160 10 10 DGCE Oc1cccc(Br)c1CN[C@@H]1C[C@H]2C[C@H]1C[C@@H]2F 2039900160 QBDXKVMMTVVVGX-FIDNZITISA-N 314.198 3.381 10 10 DGCE CNCc1ccc(N(C)[C@@H]2CC[C@@H]3C[C@H]32)cc1Br 2046853003 GLSYNGDXEAYSCA-WDBKCZKBSA-N 309.251 3.403 10 10 DGCE COC(=O)c1[nH]c2ccccc2c1C=C1C(=O)Nc2ccccc21 2053528397 BVSAPTRTFYFFOR-UHFFFAOYSA-N 318.332 3.447 10 10 DGCE CC[C@H](NC[C@H]1C[C@H]1OC)c1cc(Br)ccc1O 2067900190 HGDWZRBKRHZPAZ-LJWDBELGSA-N 314.223 3.230 10 10 DGCE Cc1nn(Cc2cc(C(F)(F)F)ccc2O)c(C(F)F)c1N 2079229803 KKSGYLHDPDLQBR-UHFFFAOYSA-N 321.249 3.484 10 10 DGCE CCc1nn([C@H](C)c2ccc(OC)cc2O)c(Cl)c1C(=O)O 2079979791 VDGYYJGQPHVVFG-MRVPVSSYSA-N 324.764 3.121 10 10 DGCE CN(Cc1ccc(O)cc1)c1ccc(CO)cc1Br 2096571061 LOOGAIYZTHVVPU-UHFFFAOYSA-N 322.202 3.283 10 10 DGCE CN[C@@H](c1ccc(N(C)C)cc1)c1cncc(Br)c1 2106794414 WUWLHNRKAVNUOD-HNNXBMFYSA-N 320.234 3.219 10 10 DGCE CCCSC1CN(c2ccc(CN)c(C(F)(F)F)c2)C1 2153915656 AARMDJRMEWSYPJ-UHFFFAOYSA-N 304.381 3.496 10 10 DGCE C[C@H](O)c1ccc(N2CCS[C@H]3COCC[C@@H]32)cc1Cl 2170505225 ODXPPBYUTMAFBB-LKTVYLICSA-N 313.850 3.104 10 10 DGCE Nc1ccc(OCCC(=O)OCc2cscc2Cl)cc1 2176864732 HAOJGWFVOXZJEQ-UHFFFAOYSA-N 311.790 3.496 10 10 DGCE CC(C)CO[C@@H]1CCN(c2cc(Cl)c(CN)cc2F)C1 2177387757 IYVIWCSYUAHRTM-GFCCVEGCSA-N 300.805 3.189 10 10 DGCE COC1CC(CCN(C)c2cc(Cl)c(CN)cc2F)C1 2186874208 UFOCEMPBVOKKHY-UHFFFAOYSA-N 300.805 3.189 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN(C(=O)c2csc(C(F)F)n2)C1 2188740951 RQWLTDVRRAXBCJ-SSDOTTSWSA-N 301.322 3.243 10 10 DGCE C[C@H](CC(=O)N1CCCC[C@H](CN=[N+]=[N-])C1)P(C)(C)=O 2196546008 QEALDUNHZGSLSF-VXGBXAGGSA-N 300.343 3.327 10 10 DGCE O=C(O)[C@@H]1[C@H]2CC[C@H](C2)N1Cc1cc(Cl)cc(Cl)c1O 2201092223 UKUMNJKPAMGKPQ-KOLSJAJHSA-N 316.184 3.137 10 10 DGCE Cc1nn(C)c(CNCc2c(O)cccc2Cl)c1Cl 2208735212 GYEFRFRDSVSDLM-UHFFFAOYSA-N 300.189 3.031 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCC[C@H]2CCNC[C@H]21 2290258006 CCSWVHKXPSKCGX-IINYFYTJSA-N 315.244 3.273 10 10 DGCE O=C1C(=Cc2ccccc2)SC(=S)N1C[C@@H]1CCCO1 2323744610 RUYIUTHXMSKCGN-LBPRGKRZSA-N 305.424 3.067 10 10 DGCE CC[C@@H](CNCc1ccc(C)c(Br)c1O)COC 2327612437 LYMHUNITOSEGMS-NSHDSACASA-N 316.239 3.225 10 10 DGCE CCC1CCC(NCc2cnc(SC)s2)(C(=O)O)CC1 2371441243 XUYMRAADTJGIAH-UHFFFAOYSA-N 314.476 3.378 10 10 DGCE CC(=O)Nc1cccc(/N=N\c2c(C(=O)O)nc3ccccn23)c1 71581141 YIAZAAFYHPENNY-VXPUYCOJSA-N 323.312 3.406 10 10 DGCE CCN(C)c1ccc([C@@H](C)NCCc2c(C)nn(C)c2C)cc1 124177292 BWRBOGIIZKHNQD-CQSZACIVSA-N 314.477 3.386 10 10 DGCE COc1cc(C)cc(CN2CCc3c(cccc3OC)C2)c1O 181452369 CBFRMBXDTMPRDS-UHFFFAOYSA-N 313.397 3.276 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](N)[C@H]1c1c(O)cccc1Cl 1952365090 NEHGICKKBBRBCD-GWCFXTLKSA-N 312.797 3.055 10 10 DGCE Oc1ccc(Cl)c(F)c1CN1CCC[C@H]1Cn1ccnc1 191490544 DKZFTOFPMJJOPV-NSHDSACASA-N 309.772 3.046 10 10 DGCE C[C@@H](CN1CCC[C@@H](C)C1)N[C@@H](C)c1ccc(F)c(F)c1O 248935400 NDFVZSJDNHZZBG-AGIUHOORSA-N 312.404 3.441 10 10 DGCE Cc1cc(-c2nc(C3(N)CCC3)no2)c(C)n1-c1ccccc1 261954882 OLKQWLWRUZWPGA-UHFFFAOYSA-N 308.385 3.482 10 10 DGCE CN(C)c1ccc(CN(C(=O)[C@@H]2CCCOCC2)C2CC2)cc1 365826550 AFGUKZMRVZTJAI-MRXNPFEDSA-N 316.445 3.060 10 10 DGCE Cc1cc(Cl)cc(CN2CC[C@@]3(CCCN(C)C3)C2)c1O 816643065 UDTJHSMRWPDUAQ-QGZVFWFLSA-N 308.853 3.272 10 10 DGCE Cc1ccc(C(=O)N2CCOc3ccc(N(C)C)cc3C2)s1 575541681 XBBRWRMCRYIHAZ-UHFFFAOYSA-N 316.426 3.157 10 10 DGCE CC1(C)Cc2n[nH]cc2CN(Cc2cc(Cl)cc(F)c2O)C1 828014097 UELBRUQWNWAYMC-UHFFFAOYSA-N 323.799 3.492 10 10 DGCE CC[C@@H]1C[C@H]1C(=O)Nc1c(-c2ccccn2)nc2ccccn12 839298066 LHCVJLRTKFOITB-CHWSQXEVSA-N 306.369 3.381 10 10 DGCE Cc1cc(C(=O)N[C@H](C)[C@H](C)N)c(C)n1-c1ccc(Cl)cc1 834820785 CUZDTAHSRUUHDJ-NWDGAFQWSA-N 319.836 3.213 10 10 DGCE CN(C)c1ccc(/C=C\CNCC2(CF)CCOCC2)cc1 835054961 OMORVFKUAXOBSX-ARJAWSKDSA-N 306.425 3.122 10 10 DGCE CC(C)(C)OC(=O)N=c1cc(CCCc2ccc(N)cc2)o[nH]1 1952825450 KGSOKVYQAXHOMA-UHFFFAOYSA-N 317.389 3.201 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCS[C@@H](C)C1 919080729 FVPJLMBFADMULF-ZFWWWQNUSA-N 321.490 3.144 10 10 DGCE Cc1cc(O)c(CN2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c(Cl)c1 840951325 WJGASZROOIXABG-NOZJJQNGSA-N 323.742 3.099 10 10 DGCE CN(C)c1ccc([C@@H](N)CNCc2cccc3cnccc23)cc1 841046097 WBUCGOCXYRKEGI-FQEVSTJZSA-N 320.440 3.090 10 10 DGCE Cc1cc(CC(=O)N2CC[C@@H](F)C2)c(C)n1-c1ccccc1 854742776 SZEWEKBTZVAMJW-MRXNPFEDSA-N 300.377 3.207 10 10 DGCE O=C(NCC[C@H]1CC1(F)F)NCc1ccc(N2CCCC2)cc1 856825837 NJULKHAUJSMEKH-AWEZNQCLSA-N 323.387 3.131 10 10 DGCE Cc1cc(O)c(CNc2nc(C3CCOCC3)ns2)cc1C 865294113 BUENBZLERMSJTG-UHFFFAOYSA-N 319.430 3.367 10 10 DGCE Nc1ccc(CSCC(=O)OCCc2ccccc2)cc1 58238265 LBJWBSJYTYVSSF-UHFFFAOYSA-N 301.411 3.288 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H]1CCC2(CCC2)O1 889010995 HBUOVQCETGEJBA-KRWDZBQOSA-N 316.445 3.169 10 10 DGCE COC(C)(C)CCN(Cc1ccccc1O)C[C@H]1CCCO1 787259975 MKCCREFCAXAPFW-MRXNPFEDSA-N 307.434 3.188 10 10 DGCE Cc1ccc(O)c([C@H]2C[C@@H](c3ccccc3)n3ncnc3N2)c1 407855 JKWNOKNDLXZEDR-CVEARBPZSA-N 306.369 3.438 10 10 DGCE Oc1ccc(F)cc1CNC[C@H]1CCCN1Cc1ccccc1 390594604 RUSNMSLZZKKCQJ-GOSISDBHSA-N 314.404 3.286 10 10 DGCE C[C@@H]1CCC[C@@H](CN)N1Cc1cc(Cl)cc(Cl)c1O 70150875 SCVUGPWCDJKELG-SKDRFNHKSA-N 303.233 3.401 10 10 DGCE [N-]=[N+]=NCC1CCN(Cc2cccc(Br)n2)CC1 1912210325 IALMHSRUYOSKPR-UHFFFAOYSA-N 310.199 3.366 10 10 DGCE COc1ccc(CNCCC[C@H](C)NC(=O)C2CCC2)cc1C 1506909802 WOYUDERRKJVYND-HNNXBMFYSA-N 318.461 3.178 10 10 DGCE Cc1cc(C)cc(-n2c(C)cc(C(=O)NC3CC(=O)C3)c2C)c1 1450099430 XUNNFPKSTXPSSW-UHFFFAOYSA-N 310.397 3.172 10 10 DGCE COC(=O)c1cc(OCCc2cccc(F)c2)ccc1N(C)C 1459244634 YCHYBLJAQMHFHL-UHFFFAOYSA-N 317.360 3.300 10 10 DGCE C/C(=C/c1cccnc1)C(=O)Nc1c(Cl)ccc2nonc12 1543805534 GDUNHPWSQJYGAX-CLFYSBASSA-N 314.732 3.313 10 10 DGCE O=C(Nc1c(O)cccc1F)c1cc2cc(O)c(O)cc2s1 1557409155 FZCQOUHKCYJDHF-UHFFFAOYSA-N 319.313 3.410 10 10 DGCE CSc1cc(C(=O)NCc2c(O)cccc2F)ccc1F 1646035219 SDMFUWYJNIEOKS-UHFFFAOYSA-N 309.337 3.322 10 10 DGCE CN(CC(=O)NC(C)(C)C)Cc1ccc(N2CCCCC2)cc1 15571555 UNYUZAGUUVPTAX-UHFFFAOYSA-N 317.477 3.023 10 10 DGCE CCCOc1c(/C=C2/C(=O)N(CC)N=C2CC)cccc1OC 1865668698 LANAKHXNQWZJBC-WYMLVPIESA-N 316.401 3.496 10 10 DGCE CC[C@@]12CCc3c(c4ccccc4n3C)CCN(C[C@@H]3O[C@H]31)C2 257631696 XUDAGNVXWJRKJD-ZCNNSNEGSA-N 310.441 3.146 10 10 DGCE Cc1ncnc(N(C)[C@@H](C)c2ccccc2O)c1Br 1877539094 RFLPXTQJUAQJME-JTQLQIEISA-N 322.206 3.451 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc2c(O)nccc12 1179687753 XGTOAICMYLAOOD-FNORWQNLSA-N 322.320 3.004 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@@H]1CC(F)(F)CO1 1966023253 RBTRGFCLWYUFEY-VIFPVBQESA-N 312.143 3.213 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@]2(C)CN(CCCN=[N+]=[N-])C[C@]2(C)C1 1982241586 IJZMAWOHOQWPEN-HZPDHXFCSA-N 323.441 3.266 10 10 DGCE CC[C@@H]1[C@H](N[C@H](C)c2ccccc2O)CN1C(=O)OC(C)(C)C 1991559107 NVWCCVOGCYHEAM-BPLDGKMQSA-N 320.433 3.441 10 10 DGCE C[C@@H](O)c1ccc(N2CC(CCF)C2)c(Br)c1 1996950240 DGLHQZVDZBQLBF-SECBINFHSA-N 302.187 3.298 10 10 DGCE CNCc1ccc(N(C)CC2CC(F)C2)cc1Br 2031652475 RLSAQDHMYHOISV-UHFFFAOYSA-N 315.230 3.353 10 10 DGCE C[C@H](O)c1ccc(N2C[C@H]3C[C@H]2[C@@H]2C[C@@H]32)c(Br)c1 2041511238 QBRVUQDYADKYDW-HBKJAXODSA-N 308.219 3.347 10 10 DGCE CN1CCc2cc([C@@H](N)[C@@H](O)c3ccc(Cl)s3)ccc21 2163124623 YPBVEWWCYOVDED-CABCVRRESA-N 308.834 3.127 10 10 DGCE Cn1ncc(NCc2cccc(Cl)c2O)c1Br 694130566 MEFRQYBFQJHOJR-UHFFFAOYSA-N 316.586 3.154 10 10 DGCE Nc1ccc(C[C@@H](O)c2cc(Br)ccc2F)cc1 696581894 WNWYRMVSWOSSAE-CQSZACIVSA-N 310.166 3.447 10 10 DGCE C[C@H]1CCN(Cc2ccc(Br)cc2O)C[C@@H]1F 825440811 LDOORQMCGDKLGI-CABZTGNLSA-N 302.187 3.335 10 10 DGCE CN[C@H](C)c1ccc(N(C)[C@@H](CCO)C(F)F)c(Cl)c1 2178502382 YVACMDWLTXOJEU-RNCFNFMXSA-N 306.784 3.073 10 10 DGCE CN(C[C@H]1C[C@H]1C(F)F)c1ccc(CN)cc1Br 2041756994 VQARRQLEKYQLST-NXEZZACHSA-N 319.193 3.245 10 10 DGCE Cc1cc(Br)ncc1CN1CCC[C@@H]1CN=[N+]=[N-] 2059052036 WSEKLKMXMIYEEK-LLVKDONJSA-N 310.199 3.427 10 10 DGCE Oc1ccc(Br)cc1CNC[C@H]1C2C[C@@H]3C1[C@@H]3C2 2070866054 SMPWNMHDIRFVRW-JYVZDMQKSA-N 308.219 3.146 10 10 DGCE COc1ccc(Br)c(CN[C@H]2CCC2(C)C)c1O 2220463193 XTBAUBFWYMSKOB-LBPRGKRZSA-N 314.223 3.442 10 10 DGCE C[C@H](NCc1conc1Br)c1ccc(F)cc1O 2222989801 UKGJROPCNMCDKC-ZETCQYMHSA-N 315.142 3.133 10 10 DGCE O=C(/C=C/c1cccnc1)N1CCC[C@H](O)c2cc(F)ccc21 492423964 DSIFNDOHAFCEQI-JZLODUJNSA-N 312.344 3.094 10 10 DGCE CCCN1N=C(C)C(=Cc2cc(Br)ccc2O)C1=O 2332124742 LFVKTAYWAHLAAT-UHFFFAOYSA-N 323.190 3.166 10 10 DGCE Cc1ccc(CN(C)c2cccnc2)c(O)c1Br 2327588734 JTQDTLPDCANYDU-UHFFFAOYSA-N 307.191 3.495 10 10 DGCE CCC[C@@](C)(CO)NCc1ccc(C)c(Br)c1O 2327621301 LWBKATXBKRPPFJ-AWEZNQCLSA-N 316.239 3.104 10 10 DGCE Cc1ccc(CN2C[C@@H]3C[C@@H]3[C@@H]3C[C@H]32)c(O)c1Br 2327803877 ITLWUOOMZPTSLB-ZDEQEGDKSA-N 308.219 3.303 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)c2cc(Br)ccn2)CC1 2336286668 FICCBTSZGBRGGK-SNVBAGLBSA-N 324.182 3.149 10 10 DGCE Oc1c(CN2CCCCC2)cc(Cn2ccnc2)c2cccnc12 59500522 CYYSAISVTSMRRN-UHFFFAOYSA-N 322.412 3.171 10 10 DGCE CC(C)NCc1cc(Br)cc(Br)c1O 59811653 MYYNDRIHKPRIAC-UHFFFAOYSA-N 323.028 3.415 10 10 DGCE COC(=O)/C=C/c1ccc(N2CC[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 301491976 OQGWNEVBOATVIW-YILIYONBSA-N 304.346 3.016 10 10 DGCE COc1cccc(CN2CCC[C@@H]2c2c(C)noc2C)c1O 21720576 DLVGAKAJGUDEKC-CQSZACIVSA-N 302.374 3.343 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)C(=O)Nc1c[nH]c2ccccc12 170027655 PYHVSHWYWPJWOR-NSHDSACASA-N 310.353 3.396 10 10 DGCE CCCc1ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 183459165 FADBDOJHJOSJBN-ZDUSSCGKSA-N 313.397 3.411 10 10 DGCE COc1cc(C)c(NCc2cc([N+](=O)[O-])ccc2O)cc1F 187488857 KPRXSUODFCVWBU-UHFFFAOYSA-N 306.293 3.369 10 10 DGCE FC(F)(F)Oc1ccc(N2CCC[C@H](NC3CC3)C2)cc1 71197736 VCELWRVEYYSTBO-LBPRGKRZSA-N 300.324 3.306 10 10 DGCE Cc1cccc(CN[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)c1O 381346094 GQAAMONNQUKTLI-STQMWFEESA-N 308.422 3.092 10 10 DGCE COc1cc(Cl)cc(CN[C@@]2(CO)CCC[C@H](C)C2)c1O 229051733 QIRTVHPCKQLUMD-ZBEGNZNMSA-N 313.825 3.085 10 10 DGCE COc1cccc(O)c1CNCc1ncc(C(F)F)s1 2369595668 DXUQMOJXTLGHNT-UHFFFAOYSA-N 300.330 3.085 10 10 DGCE CC(=O)c1ccc(O)c(CN(C)CCOCc2ccccc2)c1 384281742 GZWPBPYSONMPBG-UHFFFAOYSA-N 313.397 3.243 10 10 DGCE Cc1ccc(O)c([C@@H](C)NC/C=C\CNC(=O)OC(C)(C)C)c1 381771204 AFFOUGXPKQLYEB-LMVHVUTASA-N 320.433 3.432 10 10 DGCE CC[C@H](N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)c1cccc(Cl)c1O 806148755 YAQMGBGJDIKWKY-FIXIBIHLSA-N 322.836 3.096 10 10 DGCE Oc1cc(F)c(F)c(F)c1[C@H](C1CCCC1)N1CCOCC1 575302683 MJOQFBGKTVPKBQ-INIZCTEOSA-N 315.335 3.373 10 10 DGCE COc1cc(Br)cc(CN2CC[C@H]2C2CC2)c1O 824650153 KDZGOIPTCZUXGU-LBPRGKRZSA-N 312.207 3.148 10 10 DGCE CC1CCN(c2ccc(CNC(=O)NCC[C@H](C)F)cc2)CC1 836289203 FVOGYRHDASLJIF-HNNXBMFYSA-N 321.440 3.470 10 10 DGCE CC(C)[C@]1(CO)CCCN(C/C=C\c2ccc(N(C)C)cc2)C1 835055487 KUFCJMFMNXZPHG-MWGFUINXSA-N 316.489 3.496 10 10 DGCE COC(=O)[C@H](C)CN(C/C=C/c1ccc(N(C)C)cc1)C1CC1 835043939 CRCRDRPNWNFZCW-LLYBFZRZSA-N 316.445 3.039 10 10 DGCE Cc1cc(Cl)cc(CNCc2ccc(CN)cc2F)c1O 844904734 PDLFYYGXMYLFCG-UHFFFAOYSA-N 308.784 3.242 10 10 DGCE Cc1ccc([C@H](C)N[C@@H]2CCCc3c2ccc(=O)n3C)c(O)c1 846216019 OVLCCZFHZOVROP-XJKSGUPXSA-N 312.413 3.128 10 10 DGCE Cc1cc(O)c(CN2CCc3cc(Cl)nnc3C2)c(Cl)c1 843415096 CFRNFGHDNPEJFC-UHFFFAOYSA-N 324.211 3.356 10 10 DGCE CCc1cccc(CN[C@H](C)c2nnc3n2CCCCC3)c1O 848893189 RXRCHBCFVRYLGI-CYBMUJFWSA-N 314.433 3.123 10 10 DGCE OC[C@@]12CC[C@H]1CN(c1ccc(OCc3ccccc3)cc1)C2 1899864806 LTWCANIYJNCWTQ-PXNSSMCTSA-N 309.409 3.474 10 10 DGCE COCC1(C(=O)N[C@H](C)c2cc(OC)ccc2O)CCCCC1 857117151 WYZARWGBKNFPBW-CYBMUJFWSA-N 321.417 3.175 10 10 DGCE CN(C)c1ccc(CNCCc2noc3ccccc23)cc1F 850343585 WKMJAMLADBONOQ-UHFFFAOYSA-N 313.376 3.365 10 10 DGCE COc1ccc(N2CC[C@H](NCc3ccc(F)c(F)c3)C2)cc1 850346417 UUILILJOYMILQD-AWEZNQCLSA-N 318.367 3.342 10 10 DGCE CCc1cccc(CN2CCc3nc(C(C)C)ncc3C2)c1O 857878005 RKYLNMVUUMSUEE-UHFFFAOYSA-N 311.429 3.426 10 10 DGCE COc1ccc(O)c([C@H](C)NCc2c(C3CCC3)cnn2C)c1 850550294 MJYZVOWAWSDGGF-LBPRGKRZSA-N 315.417 3.253 10 10 DGCE COc1ccc(N2CC[C@H](NCc3ccccc3OC)C2)cc1 850345669 HLCVKMHZFFFIIM-INIZCTEOSA-N 312.413 3.072 10 10 DGCE Oc1cccc(Cl)c1CNCc1cccc2c1CCOC2 865726227 TXVWXNOBGSVPKN-UHFFFAOYSA-N 303.789 3.408 10 10 DGCE O=C(NCc1ccccc1O)[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@H]21 860233694 NXRYDHVZYYEXCK-DJIMGWMZSA-N 313.784 3.248 10 10 DGCE COc1cnc(F)c(CN[C@H](C)c2ccc(N(C)C)cc2)c1 877416762 PJPNORUZGYKFKD-GFCCVEGCSA-N 303.381 3.146 10 10 DGCE C[C@@H](NC(=O)NC[C@H]1CCC(C)(C)O1)c1ccc(N(C)C)cc1 777637171 HAAFAIJASFRGCM-CZUORRHYSA-N 319.449 3.070 10 10 DGCE O=C(N[C@H](c1ccc(F)cc1F)C1CC1)c1cccc(O)c1O 1137068243 BCUGBHDPYTWREL-HNNXBMFYSA-N 319.307 3.257 10 10 DGCE COc1ccc(O)c(CNC[C@H](C)COCc2ccccc2)c1 389939555 MAAOMOAQZZIQAM-HNNXBMFYSA-N 315.413 3.343 10 10 DGCE C[C@H](N)c1ccc(N2CCN(Cc3ccccc3)[C@@H](C)C2)cc1 396422630 DOBFGXALTSWQMT-IRXDYDNUSA-N 309.457 3.417 10 10 DGCE CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)c1ccc(N(C)C)cc1 1959562311 KVYRXZRBMUMXII-CABCVRRESA-N 307.438 3.056 10 10 DGCE C[C@@H]1CC[C@H](Nc2ccccc2N)CN1C(=O)OC(C)(C)C 1959358650 DBXAOJJISSIYPQ-OLZOCXBDSA-N 305.422 3.469 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@H]2CCC[C@H]2OC)cc1F 1136730696 YPPDVCQUJUBJOV-WMLDXEAASA-N 322.424 3.103 10 10 DGCE CNC[C@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1O 63166540 RZTDCJJKLUTTSC-GFCCVEGCSA-N 303.233 3.273 10 10 DGCE C[C@H](NC(=O)c1cc(C=O)sc1Cl)c1ccccc1O 1302538428 QNQVFGRCFWVLKM-QMMMGPOBSA-N 309.774 3.411 10 10 DGCE O=C(NCc1ccccc1O)NCC1CCc2ccccc2CC1 1313071970 SUQDFISHEOTBPL-UHFFFAOYSA-N 324.424 3.387 10 10 DGCE CSc1ccc(C)c(C(=O)NCc2cc(O)ccc2O)c1 1176748355 PYLZMLORNAXLHI-UHFFFAOYSA-N 303.383 3.058 10 10 DGCE CN(C)c1cc(F)c(CNCC2(C(F)(F)F)CC2)cc1F 1328783035 JKJFRVPQBAZQKM-UHFFFAOYSA-N 308.294 3.463 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N2CC(OC(C)C)C2)cc1 1454312914 RVWKTGGEAOUNPC-UHFFFAOYSA-N 312.413 3.344 10 10 DGCE Cc1ccccc1-n1c(C)cc(C(=O)NC2CSC2)c1C 1456137539 PQPKTLFOTYBIEL-UHFFFAOYSA-N 300.427 3.248 10 10 DGCE O=C(NCc1cccc(Cl)c1O)c1nc(C2CC2)cs1 1520804443 YZNIOELNCXEDAU-UHFFFAOYSA-N 308.790 3.310 10 10 DGCE C[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C(C)(C)C 1537484509 WXPKUGSCNQOJDN-RHSMWYFYSA-N 319.493 3.154 10 10 DGCE C[C@H](c1ccco1)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 1463938739 QTXBLGJYMXVNIX-SNVBAGLBSA-N 300.318 3.275 10 10 DGCE C[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C(C)(C)C 1537484510 WXPKUGSCNQOJDN-WMLDXEAASA-N 319.493 3.154 10 10 DGCE Cc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccccc3O)n[nH]2)o1 1471194163 DREZGRNMBLJGPH-NSHDSACASA-N 311.341 3.175 10 10 DGCE C/C(=C(\F)C(=O)NCc1ccc2c(c1)CCCN2C)C1CC1 1542389703 LNIDHPCPNLNOIH-SFQUDFHCSA-N 302.393 3.339 10 10 DGCE CCC(CC)C(=O)N(C)C[C@@H](C)NCc1ccc(OC)c(C)c1 1571377092 FFYRQABVWBDDNC-OAHLLOKOSA-N 320.477 3.376 10 10 DGCE COc1ccc(N(C)CCN2CCc3ccccc32)cc1F 1652802354 PFDLRRBWNFVASI-UHFFFAOYSA-N 300.377 3.333 10 10 DGCE CN(Cc1c(F)cccc1Cl)C(=O)Cc1ccc(O)c(O)c1 1586973469 MFAHFPWRBLCFHH-UHFFFAOYSA-N 323.751 3.091 10 10 DGCE CCC(=O)c1ccc(NCc2c(O)cccc2O)c([N+](=O)[O-])c1 1655887749 VOPHPHDEVJXLIO-UHFFFAOYSA-N 316.313 3.211 10 10 DGCE CCOCCCCN[C@@H](C)c1ccc(N2CCC(O)CC2)cc1 165077168 APVNSOOKEZGVMC-INIZCTEOSA-N 320.477 3.115 10 10 DGCE COc1ccc(/N=N/N(C)CCc2ccncc2)cc1[N+](=O)[O-] 1860483927 PSHNWKAXDQYVPP-ISLYRVAYSA-N 315.333 3.172 10 10 DGCE CN(C)c1cccc(NC(=O)c2ccc(F)c([N+](=O)[O-])c2)c1 316986559 KUEQRWGRAGCORH-UHFFFAOYSA-N 303.293 3.052 10 10 DGCE Nc1ccc(N(C(=O)CCC(=O)c2ccccc2)C2CC2)cc1 1857926847 DUOFDGUXAZYWDG-UHFFFAOYSA-N 308.381 3.427 10 10 DGCE CN[C@@H](C)c1ccc(N2CC(C)(F)C2)cc1Br 1944788659 CVECIZPJRBTXPM-VIFPVBQESA-N 301.203 3.278 10 10 DGCE CC[C@@H](N[C@H]1C[C@@H](OC)C1)c1cc(Br)ccc1O 1963185461 HBDRIIQTLLBZAZ-NTZNESFSSA-N 314.223 3.373 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1C[C@@H]2OCCC[C@H]21 249464267 GGGNWXUOEOIBQP-UHTWSYAYSA-N 302.201 3.356 10 10 DGCE Cc1c(N)cc(CN=[N+]=[N-])c(C)c1I 1887519764 JSNPXSDSRVCMMH-UHFFFAOYSA-N 302.119 3.301 10 10 DGCE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1Nc1c(N)cccc1F 1977690785 WHZFQWJKYPFVAU-RISCZKNCSA-N 323.412 3.465 10 10 DGCE CC[C@@](C)(NC(=O)OC(C)(C)C)[C@H](O)c1ccc(N(C)C)cc1 1977938771 LCQQKMPJOLHGJG-CRAIPNDOSA-N 322.449 3.479 10 10 DGCE COc1cc(NCc2ccc(O)c(O)c2)ccc1Br 168865483 LHVJBKIQRJFZEP-UHFFFAOYSA-N 324.174 3.481 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1C[C@H]2Nc1ccccc1N 1978676913 NFFOOSQEUKCZFS-KOZAUXTDSA-N 317.433 3.373 10 10 DGCE Cn1nc(CN[C@H]2CCc3cccc(O)c32)c(Cl)c1Cl 2150747497 GWCIUWLVTOFXCF-VIFPVBQESA-N 312.200 3.210 10 10 DGCE CN(CCCN=[N+]=[N-])C(=O)c1occc1NC(=O)OC(C)(C)C 1985094697 SIPXKKJNJGRTBX-UHFFFAOYSA-N 323.353 3.399 10 10 DGCE C[C@H](CCO)N(Cc1ccccc1)c1ccc2c(c1)CC[C@@H]2N 1986610562 SMVACBMBLQMRJC-QRWLVFNGSA-N 310.441 3.410 10 10 DGCE CN[C@@H](C)c1ccc(N2CC[C@@H]2CF)c(Br)c1 2011855757 VLMQKSMEGFTNJJ-GXSJLCMTSA-N 301.203 3.278 10 10 DGCE CSc1cnc(CNCc2ccc3c(c2)CCCO3)s1 2160555899 ADFSKFSXZGTNGK-UHFFFAOYSA-N 306.456 3.480 10 10 DGCE OCc1ccc(N2CCC[C@H](C(F)F)C2)cc1Br 2032456137 AOQMBYLVJZMUEO-VIFPVBQESA-N 320.177 3.423 10 10 DGCE C[C@@H]1C[C@@H](CN(C)Cc2cccc(Br)c2O)CO1 2040273008 DNJQACLHEAPAJY-MNOVXSKESA-N 314.223 3.012 10 10 DGCE C[C@@H](NCc1ccccc1O)[C@@H]1CCCN1C(=O)OC(C)(C)C 400580080 QMIYEGVZMNONLQ-HIFRSBDPSA-N 320.433 3.270 10 10 DGCE CC(=O)c1ccc(O)c(CN2CCC=C(Br)C2)c1 404533331 FIIWXDFOSCPYIQ-UHFFFAOYSA-N 310.191 3.079 10 10 DGCE [N-]=[N+]=NCCCCNC(=O)CSc1ccc(F)c(F)c1 701304774 CCKBOYCQADRITO-UHFFFAOYSA-N 300.334 3.264 10 10 DGCE C[C@@H](NCc1ccc(Br)cc1O)c1nccs1 691440931 TVXJGAFTOMUGCV-MRVPVSSYSA-N 313.220 3.462 10 10 DGCE C[C@@H]1CCN(Cc2cc(Br)ccc2O)C[C@H]1F 779148213 GYBCNLOWEXVILV-BXKDBHETSA-N 302.187 3.335 10 10 DGCE CCc1nn(Cc2c(C)cccc2O)c(C(F)F)c1C(=O)OC 2078890180 JXHRDFDVAAJIBS-UHFFFAOYSA-N 324.327 3.232 10 10 DGCE O=C(O)C=Cc1ccc(N2C[C@@H](F)C[C@@H](F)C2)cc1Cl 2182594723 AHDZUBBYPRAARA-PHIMTYICSA-N 301.720 3.324 10 10 DGCE C[C@H](N)c1ccc(N(C)Cc2cocn2)cc1Br 2042269620 DZQADKNASXTSKY-VIFPVBQESA-N 310.195 3.093 10 10 DGCE CCC[C@H]1C[C@H](NCc2cc(Br)ccc2O)CO1 2065791988 RFEIVRVPMIVVEB-STQMWFEESA-N 314.223 3.202 10 10 DGCE C[C@H](O)c1cc(F)c(N(C)CC2(Br)CC2)c(F)c1 2076270117 SZEKFCRRWFOEHZ-QMMMGPOBSA-N 320.177 3.382 10 10 DGCE Cc1ccccc1N=Nc1c(CC(=O)O)nc2cc(CO)ccn12 2295926530 ILGUJXCHFKJSKL-UHFFFAOYSA-N 324.340 3.178 10 10 DGCE Cc1ccccc1C=C1SC(=S)N(Cc2ccon2)C1=O 2300339170 ZYLONPWLSZRLAK-UHFFFAOYSA-N 316.407 3.384 10 10 DGCE CO[C@H](CNCc1ccc(C)c(Br)c1O)C(C)C 2327630363 RMXFDFVJEJTJMP-GFCCVEGCSA-N 316.239 3.224 10 10 DGCE NC[C@@H]1C[C@@H]2CC[C@H]1N2Cc1cc(Cl)cc(Cl)c1O 2330486934 BVDNGGDSDLKCKZ-LJUAHTATSA-N 301.217 3.011 10 10 DGCE Cc1ccc(CN(C)c2cccc(O)n2)c(O)c1Br 2352639237 VWUHVWBYKUSPOA-UHFFFAOYSA-N 323.190 3.200 10 10 DGCE Cc1ccc(CNC(=O)[C@]23C[C@H]2[C@H](C)C3)c(O)c1Br 2352947855 VULOLUSSIGLYJX-BPYAMOTFSA-N 324.218 3.125 10 10 DGCE C[C@@H](N)c1ccc(N(C)C[C@H]2CCCO2)c(Br)c1 109568707 HIYZGCOLWWBGLB-ZYHUDNBSSA-N 313.239 3.084 10 10 DGCE NC(=O)c1cccc2c1N[C@H](c1ccc(O)cc1O)[C@H]1CC=C[C@@H]21 20681537 UFCFBSXOMZUVDV-PEBVRCNWSA-N 322.364 3.023 10 10 DGCE Cc1cccc(CN2CCC[C@@H]2CNC(=O)OC(C)(C)C)c1O 180530201 YVWYNIIELOOGCI-OAHLLOKOSA-N 320.433 3.190 10 10 DGCE CCN(CC)c1ccc(CNc2cc(=O)n3ccccc3n2)cc1 194065811 UDQXZXMNBRZUAD-UHFFFAOYSA-N 322.412 3.153 10 10 DGCE C[C@H](NCCc1cn2ccccc2n1)c1ccc(F)c(F)c1O 191196568 FWWJENFFQZZTBP-NSHDSACASA-N 317.339 3.211 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCc2ccccc21 96643236 AUUJDCXNABJVCU-ZDUSSCGKSA-N 311.381 3.256 10 10 DGCE CC(=O)c1cc(F)cc(CN2CCC(OCC(C)C)CC2)c1O 267459521 RIDACTCDFPQWOO-UHFFFAOYSA-N 323.408 3.371 10 10 DGCE C[C@]12C[C@@H]1CCC[C@H]2NCc1ccc(N2CCOCC2)c(F)c1 800475430 BTEQNFXBKCIUGH-IPELMVKDSA-N 318.436 3.331 10 10 DGCE CC(C)NCc1ccc(N(C)Cc2cnsn2)c(Cl)c1 2167117784 DLRBAPONSRHVQX-UHFFFAOYSA-N 310.854 3.326 10 10 DGCE Cc1cc(CN2CCC3(CCOCC3)[C@H]2C)ccc1N(C)C 815092974 YFQYOMCNIGPZMP-MRXNPFEDSA-N 302.462 3.452 10 10 DGCE CCCN1CCC(CNCc2cc(Cl)c(F)cc2O)CC1 816548957 YIRROYRXGIOCBM-UHFFFAOYSA-N 314.832 3.396 10 10 DGCE CO[C@H]1CC[C@H](C(=O)NCc2ccc(N3CCCCC3)cc2)C1 824262415 XJGWJMOQZPFTJS-WMZOPIPTSA-N 316.445 3.108 10 10 DGCE CC(C)OC(=O)c1cccc(NC(=O)Cc2ccc(N)cc2)c1 586737395 ADEQPTKJSDCZCB-UHFFFAOYSA-N 312.369 3.015 10 10 DGCE COc1cccc([C@@H]2C[C@H]2C(=O)NCc2ccc(N(C)C)cc2)c1 730162383 RYLPCGRIKRRSOW-RBUKOAKNSA-N 324.424 3.181 10 10 DGCE C[C@@H](Cc1cccs1)NC(=O)NCc1c(O)cccc1F 914105000 QKSJIFCQHCHDHK-JTQLQIEISA-N 308.378 3.023 10 10 DGCE Cc1ccc(CC[C@H](C)NCc2cc3c(cc2O)OCO3)o1 742379419 BFVCADVCHLUHFN-NSHDSACASA-N 303.358 3.133 10 10 DGCE COc1cc(N(C)C[C@@H](CC(C)C)OC)cc(OC)c1OC 842149795 FUEGSYXCHDMJJV-CQSZACIVSA-N 311.422 3.210 10 10 DGCE Cc1cc(O)c(CNC[C@@H](c2ccco2)N(C)C)c(Cl)c1 840876484 NAYVDEYAUFUBQQ-AWEZNQCLSA-N 308.809 3.340 10 10 DGCE C[C@@H]1[C@H]2CNC[C@H]2CN1c1ccc(OCc2ccccc2)cc1 1899860943 PWXGSYDSQNHMIK-OXFYSEKESA-N 308.425 3.310 10 10 DGCE COc1ccc(N(C)Cc2cnn(-c3ccccc3)n2)cc1F 757857971 UJZKAOVPSUKBPJ-UHFFFAOYSA-N 312.348 3.051 10 10 DGCE Oc1ccccc1CN(C[C@@H]1CCC2(COC2)O1)C1CCCC1 929635514 NIUXIVMXHJWPOF-KRWDZBQOSA-N 317.429 3.085 10 10 DGCE Nc1ccc(CNC(=O)[C@@H]2[C@@H]3Cc4c(Cl)cccc4[C@H]32)cc1 859594044 OIIZKRBMPRNIMK-DJIMGWMZSA-N 312.800 3.124 10 10 DGCE COc1ccc(N2CC[C@H](N[C@H](C)C3CCSCC3)C2)cc1 850486830 DHBLNYXVFKTFAJ-ZBFHGGJFSA-N 320.502 3.395 10 10 DGCE C[C@H](NC(=O)NCC[C@H]1CCC2(CCC2)O1)c1ccccc1O 927748678 XOJPLQOLIDFEPH-UONOGXRCSA-N 318.417 3.244 10 10 DGCE COCCN(CCF)Cc1ccc(N2CCCCC2)c(C)c1 852479675 JCOIJTQJEVTGEW-UHFFFAOYSA-N 308.441 3.403 10 10 DGCE Cc1cncc(CCN[C@H]2C[C@H](C)c3c(F)ccc(O)c32)n1 850549450 GSKMGXYLLKVWSZ-HZMBPMFUSA-N 301.365 3.010 10 10 DGCE Cc1ccc(/C=C\C(=O)N2CCCN(C)c3ccccc32)cn1 754297666 JVRXOHRWWMMOQO-KHPPLWFESA-N 307.397 3.276 10 10 DGCE COc1ccc(N2CC[C@H](CNC[C@@]3(C)CCCS3)C2)cc1 862397152 CAEJWRZJCYHMLP-CRAIPNDOSA-N 320.502 3.397 10 10 DGCE CC(C)C[C@H](C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 764999639 COQIGAIHKIFTLM-JKSUJKDBSA-N 318.461 3.383 10 10 DGCE Cc1ccc(O)c(CNC(=O)NCC(C)(C)C(C)(F)F)c1 869071867 OLNUPERRWVROBY-UHFFFAOYSA-N 300.349 3.181 10 10 DGCE O=C(NCc1ccccc1O)[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@H]21 860233696 NXRYDHVZYYEXCK-USXIJHARSA-N 313.784 3.248 10 10 DGCE COc1ccc(CNC(=O)N[C@H](C)[C@@]23CCCC[C@@H]2C3)c(O)c1 868939408 SSCOSAYBDDYOEV-DFHBCGBQSA-N 318.417 3.169 10 10 DGCE Cc1ccc2c(c1)SCCCN2C(=O)/C=C\c1cnccn1 778273466 CWBRVZGCKXFEBH-XQRVVYSFSA-N 311.410 3.327 10 10 DGCE C/C(=C\c1cccnc1)C(=O)N1CCCc2c1cccc2[N+](=O)[O-] 1127748492 PQPQCLQJXOKCKA-ACCUITESSA-N 323.352 3.373 10 10 DGCE COc1cc(C)cc(CNCc2cccc(C)c2OC)c1O 895186406 HNLLOIRWDVCALL-UHFFFAOYSA-N 301.386 3.316 10 10 DGCE CCN(Cc1cc(Cl)cc(Cl)c1O)C[C@H](C)C(=O)O 86761818 NRESZPCYRBANRB-QMMMGPOBSA-N 306.189 3.242 10 10 DGCE COc1cc(C)cc(CN2CC[C@H](c3ccc(O)cc3)C2)c1O 895413447 DEVQNVTWLYGOAO-HNNXBMFYSA-N 313.397 3.404 10 10 DGCE C[C@@H](CC(=O)NCc1cccc(O)c1O)c1cccc(F)c1 1176564507 BJEOAYLLNPJTNX-NSHDSACASA-N 303.333 3.047 10 10 DGCE CO[C@@H](CSc1ncc(-c2ccccc2)n1C)[C@H]1CCOC1 1327518613 RZXFTMDQSOILSF-HOCLYGCPSA-N 318.442 3.231 10 10 DGCE Cc1cc(O)c(CN2CCCC3(CCNCC3)C2)c(Cl)c1 1332361305 YGXRYVFVWKJELB-UHFFFAOYSA-N 308.853 3.320 10 10 DGCE CC(C)(C)OC(=O)N1CCN(c2ccc(N)cc2)[C@@H]2CCC[C@@H]21 1902321927 SLQCRFQANFLXNL-CVEARBPZSA-N 317.433 3.247 10 10 DGCE CCCC(=O)N[C@H]1CCC[C@H]1CNCc1ccc(OC)c(C)c1 1268266666 BRYCYXOHJUDXBK-IRXDYDNUSA-N 318.461 3.178 10 10 DGCE CC(C)(C)OC(=O)N[C@H](CN)c1c(O)ccc2ccccc12 1535969218 KZCBTUPGCRNHQH-CYBMUJFWSA-N 302.374 3.070 10 10 DGCE Cc1cc(CNC(=O)[C@@H]2C[C@H](C)CO2)c(C)n1-c1ccccc1 1624075624 WHFAUPIOWMVYNK-UGSOOPFHSA-N 312.413 3.135 10 10 DGCE COc1ccc(CNCC[C@@H](C)NC(=O)C=C2CCC2)cc1C 1716131423 OPLDJRJOVMMHJK-OAHLLOKOSA-N 316.445 3.098 10 10 DGCE COc1cc(SC)ccc1NC(=O)Cc1ccc(O)c(O)c1 1639837848 KBQAUTMAHCKGDV-UHFFFAOYSA-N 319.382 3.010 10 10 DGCE COc1ccc(CNCC[C@H](C)NC(=O)C2CCCC2)cc1C 1497128941 GJRUDUQWUQUBFD-HNNXBMFYSA-N 318.461 3.178 10 10 DGCE C[C@@H](C(=O)O)[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1927590256 IECGRIFELPFWOG-RISCZKNCSA-N 322.405 3.039 10 10 DGCE O=C1N=C(Nc2ccc(O)cc2)S/C1=C/c1ccc(O)cc1 1280953 LVUDRWMKTHYRLN-NTEUORMPSA-N 312.350 3.180 10 10 DGCE CC(C)(C)OC(=O)Nc1ncc([C@H](N)c2ccccc2O)s1 1928468351 VOKUQHBMZLXJPQ-GFCCVEGCSA-N 321.402 3.244 10 10 DGCE Cc1cc(O)c(CN2CCO[C@@H](c3nccs3)C2)cc1C 152230602 LATVHSYINPNLDD-OAHLLOKOSA-N 304.415 3.039 10 10 DGCE CC[C@@H]1CN(c2ccc(CNCCOC)c(C)c2)CCS1 157796715 BMKKFOCZGAXKML-QGZVFWFLSA-N 308.491 3.063 10 10 DGCE CC(C)(C)OC(=O)N1[C@@H](CNc2ccc(N)cc2)COC1(C)C 1977662085 FRBYMNDUZDIRER-AWEZNQCLSA-N 321.421 3.053 10 10 DGCE CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@H](O)c1ccc(N(C)C)cc1 1977937604 COJDRLTZJAIYHT-HZPDHXFCSA-N 322.449 3.335 10 10 DGCE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(N)c1ccccc1O 1978246064 DVHKFQXYTXDDFK-UGSOOPFHSA-N 320.433 3.213 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(N)cc2)[C@H]2CC[C@@H]21 1983874008 LBZMMRHQOQZMPP-PMPSAXMXSA-N 317.433 3.469 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(Cc2cc(Br)sn2)C1 1994460118 RHOAYWTUUVZPAW-SSDOTTSWSA-N 302.201 3.180 10 10 DGCE Oc1c(F)cc(Br)cc1CN[C@H]1CCC[C@@H]1F 2006779831 AZAAMHYVVKHGIN-ONGXEEELSA-N 306.150 3.274 10 10 DGCE CCCNCc1cnc(Sc2nnc(SC)s2)s1 2037784361 AXIAQADIYYGLQH-UHFFFAOYSA-N 318.518 3.367 10 10 DGCE C[C@@H]1OCCN(c2ccc([C@@H](C)N)c(Br)c2)[C@H]1C 380487207 ADLGHSYRYLDCPS-VWYCJHECSA-N 313.239 3.082 10 10 DGCE Cc1ccc(COc2cc(F)cnc2N)cc1Br 723405263 VQTKOHNSEUSGOR-UHFFFAOYSA-N 311.154 3.453 10 10 DGCE C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C1(O)CC1 2062904028 RUZKTBPGXRCHBN-AWEZNQCLSA-N 311.381 3.007 10 10 DGCE CNC(=O)c1cc(CC(C)C)nn1[C@H](C)c1cccc(C)c1O 2070079190 JLOUXRPZFOEUKR-CYBMUJFWSA-N 315.417 3.065 10 10 DGCE Cc1cnn(Cc2cccc(Cl)c2O)c1Br 2070300373 YZEGIUACBLZGQJ-UHFFFAOYSA-N 301.571 3.361 10 10 DGCE COc1cc(Cl)cc(CN[C@@H]2[C@H]3CCC(F)(F)[C@H]32)c1O 2170820609 MCCIEBGUSBLPRO-MVWJERBFSA-N 303.736 3.188 10 10 DGCE Oc1c(Br)cccc1CNC[C@H]1C[C@H]1C(F)(F)F 2041784484 QFNBOWNHOUVMSM-RKDXNWHRSA-N 324.140 3.443 10 10 DGCE COC[C@]1(C)CCN1c1ccc([C@@H](C)N)cc1Br 2055900464 BNDUKSDDSWQUOE-YGRLFVJLSA-N 313.239 3.084 10 10 DGCE Cc1cc(Br)nc(NCCc2ccc(N)cc2)c1 2077433211 QNCQZGKLTKODHQ-UHFFFAOYSA-N 306.207 3.389 10 10 DGCE C[C@]1(F)CN(CCc2ccc(N)cc2)C[C@]1(C)Br 2084850890 FEJSMWKEBRGWPR-KBPBESRZSA-N 315.230 3.009 10 10 DGCE COc1cc(Cn2ccc3cc(N)ccc32)cc(OC)c1OC 218265465 GJQBDLGIAIEIQJ-UHFFFAOYSA-N 312.369 3.298 10 10 DGCE C[C@H](c1ccc(Cl)cc1O)N1CCO[C@@](C)(C(F)F)C1 2203362105 MQVKRXOUQBZVFE-YMTOWFKASA-N 305.752 3.463 10 10 DGCE CCc1nn(C)c(CNCc2cc(Cl)ccc2O)c1Cl 2240975488 AITKCVRDUCTGKB-UHFFFAOYSA-N 314.216 3.285 10 10 DGCE C[C@H](CF)N(C)c1ccc(C=CC(=O)O)cc1Br 2257951707 CODATUGVHVCNGP-SECBINFHSA-N 316.170 3.341 10 10 DGCE C[C@H]1CN(C(=O)C=Cc2ccc(O)c(O)c2)[C@H]1c1ccccc1 2307987959 VICGHQFUCQZQKK-ORAYPTAESA-N 309.365 3.331 10 10 DGCE CN(Cc1ccccc1)N=Nc1ccc2c(c1)OCC(=O)N2C 2330245858 DQACVACRZINTRQ-UHFFFAOYSA-N 310.357 3.173 10 10 DGCE NC(=O)C1CCN(N=Nc2ccc(Cl)c(Cl)c2)CC1 2330267459 QYTUSOPSCAOXLE-UHFFFAOYSA-N 301.177 3.189 10 10 DGCE CCCc1ccc(NC(=O)CN(C)Cc2ccccc2O)cc1 171937449 LWDRUNKQUWSMPR-UHFFFAOYSA-N 312.413 3.415 10 10 DGCE CN[C@@H](C)c1ccc(N(CCCOC)CCOC)c(Cl)c1 61697295 RVMGEXXXVXVXGW-ZDUSSCGKSA-N 314.857 3.110 10 10 DGCE CC(=O)c1cc(F)cc(CN2CCc3ccc(F)cc32)c1O 319115005 CLDRLGUROCEWDC-UHFFFAOYSA-N 303.308 3.436 10 10 DGCE COc1cc([C@@H](O)c2ccc3c(c2)CCN3C)sc1Cl 2365838945 UWWWZZZPTIPGDS-AWEZNQCLSA-N 309.818 3.484 10 10 DGCE C[C@H](C(=O)Nc1ccc(N)cc1)N(C)Cc1ccc(Cl)s1 48971403 OECDSGNTVYHAQY-SNVBAGLBSA-N 323.849 3.443 10 10 DGCE CC(C)OC[C@H](O)CNc1ccccc1C(=O)c1ccccc1 192587138 RKSORBIXNJDAIP-MRXNPFEDSA-N 313.397 3.115 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@H]1c1ccsc1 528996358 MVVIVBBKOSYRGG-LEWSCRJBSA-N 317.410 3.010 10 10 DGCE CCOC(=O)CCN(C)N=Nc1ccc(Br)cc1 2330209839 UOLBQPRGFCHYSP-UHFFFAOYSA-N 314.183 3.333 10 10 DGCE CCN[C@H](C)c1ccc(N2C[C@H](C)[C@@H](N(C)C)C2)c(Cl)c1 250281597 KKHUVWIGJPPGAY-AHIWAGSCSA-N 309.885 3.397 10 10 DGCE COCCn1c(C)c(C)c2cc(C(=O)NCC[C@H](C)F)ccc21 356691472 QMDUEEWODVBXKG-LBPRGKRZSA-N 320.408 3.382 10 10 DGCE C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1Cc1cc(F)ccc1O 290088455 GVHBVTUSWVHRTM-FZMZJTMJSA-N 324.396 3.019 10 10 DGCE O=C(NCc1cc(Br)ccc1O)C(F)=C1CCC1 819531212 UOCWLTGGTXHIJD-UHFFFAOYSA-N 314.154 3.178 10 10 DGCE O=C1COc2cc(NCc3cc(Cl)c(F)cc3O)ccc2N1 816568670 NEQIPNFRSCHXHK-UHFFFAOYSA-N 322.723 3.128 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)/C=C/C1(C)CCOCC1 822264758 CUNRRGFHYYSTLM-MDZDMXLPSA-N 316.445 3.084 10 10 DGCE C[C@H](Cc1ccco1)C(=O)NCc1ccc(N2CCCC2)cc1 821842267 JSIAPLRRAFQQPE-OAHLLOKOSA-N 312.413 3.375 10 10 DGCE COC(=O)c1ccc(CNCc2ccc(OC)c(C)c2)c(F)c1 827526340 KKCGNASZCUEDFS-UHFFFAOYSA-N 317.360 3.219 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C\C1CCCCC1 588506448 GLLGDACHCYRQKI-KJJQSCHISA-N 303.402 3.282 10 10 DGCE CC(C)N1CC[C@@H](N(C)C/C=C/c2ccc(N(C)C)cc2)C1 835054615 LOHBLQFXOABURE-OVKVCFKUSA-N 301.478 3.180 10 10 DGCE CCOC(=O)C1(CNC/C=C/c2ccc(N(C)C)cc2)CCC1 835048377 QQIYGKBEHZWMLN-FNORWQNLSA-N 316.445 3.089 10 10 DGCE C[C@@H](Cc1ccco1)C(=O)NCc1c(O)ccc2c1CCCC2 830559759 VFJGGNCTCUGDAU-ZDUSSCGKSA-N 313.397 3.359 10 10 DGCE C[C@@H](CNC/C=C\c1ccc(N(C)C)cc1)CN1CCCC1 835034834 FKLFJUZNUATPEZ-TUYSUELWSA-N 301.478 3.087 10 10 DGCE Cc1nc(C2CC2)oc1C(=O)NCc1cc(Cl)ccc1O 846473900 OGLVEPJRZHHAFF-UHFFFAOYSA-N 306.749 3.149 10 10 DGCE CC(=O)c1ccc(NC(=S)NNc2cccc(F)c2F)cc1 743005575 UTBZDIQYARNORN-UHFFFAOYSA-N 321.352 3.481 10 10 DGCE C[C@H]1CN(C(=O)Cc2ccc(N)cc2)CCc2ccc(F)cc21 846701106 QYYQOCGJFAVSRD-ZDUSSCGKSA-N 312.388 3.139 10 10 DGCE Cc1cc(O)c(CNC[C@@](C)(O)c2ccc(F)cc2)c(Cl)c1 840905551 ABEKSZHVNRKFRV-QGZVFWFLSA-N 323.795 3.490 10 10 DGCE CN(C)CC1CCC(NCc2ccc3c(c2)CCCO3)CC1 921921274 VTISIBIRGHARKQ-UHFFFAOYSA-N 302.462 3.222 10 10 DGCE CN1CCCc2cc(CNC(=O)N3CC(CC4CC4)C3)ccc21 856850903 FBARDUYIAGRZLN-UHFFFAOYSA-N 313.445 3.011 10 10 DGCE CO[C@H]1C[C@@H](CN[C@H](C)c2cc(Br)ccc2O)C1 858592445 BWOFILFBBHQGRZ-FOGDFJRCSA-N 314.223 3.230 10 10 DGCE CCO[C@@H](C(=O)N[C@@H](C)c1cc(OC)ccc1O)C1CCCC1 866763234 CMDSNJPERKJKKO-YVEFUNNKSA-N 321.417 3.173 10 10 DGCE CC(C)Oc1ccc(N(C)C)c(I)c1 694942689 VEWANFWECPRJIJ-UHFFFAOYSA-N 305.159 3.144 10 10 DGCE CCC(F)(F)CNC(=O)c1cc(C)n(-c2ccccn2)c1C 862901853 USVFQVOLUZXSKU-UHFFFAOYSA-N 307.344 3.264 10 10 DGCE CN(C)c1ccc(CN2CC[C@H](C(C)(C)C)[C@H](O)C2)cc1F 779432112 KOWPMHVDHRIWMS-WMLDXEAASA-N 308.441 3.121 10 10 DGCE O=C(Cc1ccc(C2CCC2)cc1)NCc1ccc(O)cc1O 1123808690 IYQOGNBGEWXWRA-UHFFFAOYSA-N 311.381 3.224 10 10 DGCE CC[C@H]1COCCN1Cc1cc(C)cc(Br)c1O 781901093 MAEQQYLOTQRCCM-LBPRGKRZSA-N 314.223 3.074 10 10 DGCE C[C@H](NC(=O)c1nccc2cccnc12)c1ccc(N(C)C)cc1 1128136184 NFJHTJNYIUBPCY-ZDUSSCGKSA-N 320.396 3.187 10 10 DGCE Cc1cc(C)c([N+](=O)[O-])c(NCc2ccc(N(C)C)cc2)n1 781661698 XZLCOGPXLWJERV-UHFFFAOYSA-N 300.362 3.285 10 10 DGCE COc1cc(NCc2cc(F)ccc2O)c(OC)c(C)c1OC 793391074 OGARKSJEERCROT-UHFFFAOYSA-N 321.348 3.478 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2[nH]ccc2s1 793795489 DZIDPDGQULIHRM-SECBINFHSA-N 316.382 3.002 10 10 DGCE COc1cccc(CNC(=O)Cc2ccc(Cl)c(F)c2)c1O 790633179 VGEGOFFPIJZXAT-UHFFFAOYSA-N 323.751 3.052 10 10 DGCE C[C@@H](NC[C@H]1CCN1Cc1ccccc1)c1ccc(O)cc1O 716300525 VYTMIOOFUHUCSI-GDBMZVCRSA-N 312.413 3.023 10 10 DGCE C[C@H](NCc1cc(Br)no1)c1ccc(N(C)C)cc1 718880430 BDCBGSRXYQTORY-JTQLQIEISA-N 324.222 3.354 10 10 DGCE CCc1ccc(O)c(C(=O)NCc2ccc3cccnc3c2O)c1 1142728543 WZTDUQDDIKRNSM-UHFFFAOYSA-N 322.364 3.138 10 10 DGCE CCOC(=O)[C@@H](NCCN=[N+]=[N-])c1ccc(Cl)c(Cl)c1 90257493 MTKYNNVFMMGNDR-NSHDSACASA-N 317.176 3.498 10 10 DGCE Nc1ccc(OCc2nc3cc(Br)ccc3[nH]2)cc1 96914513 NLKQUJYMFUXDEF-UHFFFAOYSA-N 318.174 3.487 10 10 DGCE C[C@H](CO)N(Cc1ccccc1)c1ccc(CO)c(Cl)c1 1914222412 ZLMOMUOHVDUYII-CYBMUJFWSA-N 305.805 3.220 10 10 DGCE Cc1cc(CC(=O)N2C[C@H]3C=C[C@H]2C3)c(C)n1-c1ccccc1 1288250386 FFNLQBTYIBXWKF-LPHOPBHVSA-N 306.409 3.424 10 10 DGCE C[C@H](C(=O)N1Cc2cccc(O)c2C1)c1ccc(F)cc1F 1455037727 UGYGWYHNQOOSNU-JTQLQIEISA-N 303.308 3.316 10 10 DGCE Cc1cc(CN2CCC(c3cncn3C)CC2)ccc1N(C)C 1460967519 XIGJSZQKIBXGOK-UHFFFAOYSA-N 312.461 3.174 10 10 DGCE CN(C)c1ccc(CN(C[C@H]2CCCO2)c2nccs2)cc1 1612212031 XYUFLVKLJKWISZ-MRXNPFEDSA-N 317.458 3.395 10 10 DGCE Cc1cccc([C@@H](C)CNC(=O)c2c(F)ccc(O)c2O)c1 1558938995 DQEMECWUNVLTIH-NSHDSACASA-N 303.333 3.079 10 10 DGCE COc1ccc(CN[C@H](CNC(=O)C(C)(C)C)C(C)C)cc1C 1482566771 UNKRQSUAGJWVNO-MRXNPFEDSA-N 320.477 3.280 10 10 DGCE C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1O 1635793740 GLHHQAMZQZZGQI-SECBINFHSA-N 320.732 3.445 10 10 DGCE C[C@H](NC(=O)N[C@@H]1C[C@H]2C=C[C@H]1CC2)c1ccc(N(C)C)cc1 1634435441 NKKVJPGBYLMDDY-ILXVDBEPSA-N 313.445 3.468 10 10 DGCE C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)Cc1ccc(O)c(O)c1 1636974093 QAUZRERZJRHXIV-OCCSQVGLSA-N 305.418 3.314 10 10 DGCE COc1nccc(N(C)C)c1NCc1cccc(Cl)c1O 164952877 UNAMFOUMUJUXPB-UHFFFAOYSA-N 307.781 3.127 10 10 DGCE NC(=O)c1cc(NCc2cccc(Cl)c2O)c(F)cc1F 164946886 HNTQHKVQNSOYBV-UHFFFAOYSA-N 312.703 3.035 10 10 DGCE CCCCOc1ccccc1NC(=O)c1cc(O)c(O)c(O)c1 1865876595 VDDREXCRSIMBJS-UHFFFAOYSA-N 317.341 3.235 10 10 DGCE Nc1ccc(Cn2cc(C(F)(F)F)cc(Cl)c2=O)cc1 33513320 OTDLYGCPWQGWEV-UHFFFAOYSA-N 302.683 3.151 10 10 DGCE Cc1cnc(Br)c(CN(C)Cc2ccc(N)cc2)c1 2142040326 UWGSAWQQJOYWEX-UHFFFAOYSA-N 320.234 3.367 10 10 DGCE COc1cccc([C@H](O)Cc2ccc(N)cc2)c1Br 2142377254 ITYTVBZAMKIQAF-CYBMUJFWSA-N 322.202 3.316 10 10 DGCE CO[C@@H]1CN(Cc2cccc(Br)c2O)CC1(C)C 1967790259 HYESBTDOOBIYRO-GFCCVEGCSA-N 314.223 3.012 10 10 DGCE Cc1onc(CN(C)Cc2ccccc2O)c1Br 1968865807 QPDHIBZLOUTUEZ-UHFFFAOYSA-N 311.179 3.083 10 10 DGCE C[C@H](N[C@@H]1C[C@@H]1CNC(=O)OC(C)(C)C)c1ccc(F)cc1O 1973243090 ANRGYLNIILPBFC-MISXGVKJSA-N 324.396 3.095 10 10 DGCE Cc1cccc(O)c1CNCCCCCNC(=O)OC(C)(C)C 1976878138 ZGTHFZLOHREMEE-UHFFFAOYSA-N 322.449 3.485 10 10 DGCE C[C@@H]1C[C@H]([C@@H](O)c2ccc(N(C)C)cc2)N1C(=O)OC(C)(C)C 1977939395 PULMKXVNWYZGED-WQVCFCJDSA-N 320.433 3.184 10 10 DGCE CN(Cc1ccc(N)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1977927373 QVWJXPDBHCOPTP-UHFFFAOYSA-N 319.449 3.100 10 10 DGCE CN(C)c1ccc([C@H](O)C[C@H]2CCN2C(=O)OC(C)(C)C)cc1 1979100923 GWCFRGJSCCGRON-HZPDHXFCSA-N 320.433 3.186 10 10 DGCE CN(C)c1ccc([C@@H](O)c2ccn(Cc3ccccc3)n2)cc1 1992774083 RTXOGWPQOJVZOG-LJQANCHMSA-N 307.397 3.079 10 10 DGCE [N-]=[N+]=NC[C@H]1CCN(Cc2cc(Br)sn2)C1 1994460018 PVMUQZLKVNAIGI-SSDOTTSWSA-N 302.201 3.038 10 10 DGCE C[C@@]1(C(=O)O)CCCN(Cc2cc(Cl)cc(Cl)c2O)C1 86783622 RRAZVJRDTPJJKT-CQSZACIVSA-N 318.200 3.386 10 10 DGCE CO[C@@H]1CC(F)(F)CC[C@@H]1NCc1cccc(Cl)c1O 2162094753 RWWZOYFAKDLECJ-NWDGAFQWSA-N 305.752 3.338 10 10 DGCE CCOC(=O)[C@@H](NCCN=[N+]=[N-])c1cccc(Cl)c1Cl 90257587 ABMMBMMPCRXWTE-NSHDSACASA-N 317.176 3.498 10 10 DGCE C[C@@H]1COCCCN1[C@H](C)c1cc(Br)ccc1O 398956930 WDMWZDOBSKPRHB-GHMZBOCLSA-N 314.223 3.327 10 10 DGCE C[C@H](NCc1cc(Br)ccc1O)[C@H]1CC1(F)F 840968839 VLCIHPDWHQJUQL-OIBJUYFYSA-N 306.150 3.288 10 10 DGCE CN(CP(C)(C)=O)c1c(F)cc(CNC2CC2)cc1F 2198578409 XJIWZGKGWUDUTH-UHFFFAOYSA-N 302.305 3.233 10 10 DGCE CN(C[C@@](C)(F)C(F)(F)F)c1ccc(CN)c(F)c1F 2191864714 KMUDYHZVKZRQHA-LLVKDONJSA-N 300.246 3.150 10 10 DGCE C[C@@H](Nc1cc(=N)[nH]cc1Br)c1ccccc1O 2072484073 MNMGLCGWBGEFTF-MRVPVSSYSA-N 308.179 3.135 10 10 DGCE CN(C)c1ccc([C@](C)(N)c2cncc(Br)c2)cc1 2106790527 JCGDOKHTADUDJT-HNNXBMFYSA-N 320.234 3.132 10 10 DGCE CN1C[C@H]2C[C@@H](Nc3c(N)cccc3Br)CC[C@H]2C1 2089103304 HJRUNQGBKIZODQ-TUAOUCFPSA-N 324.266 3.174 10 10 DGCE CCOC(=O)CCCCCNCc1cnc(SC)s1 2269120886 IDDMRFHEBGTSAS-UHFFFAOYSA-N 302.465 3.078 10 10 DGCE CSc1ncc(CNC(=O)c2cc(C)cnc2Cl)s1 2269299843 BSQHEPOGOXOXOM-UHFFFAOYSA-N 313.835 3.152 10 10 DGCE CN1C(=O)C(=Cc2cnn(-c3ccccc3)c2)c2ccccc21 2295270846 AXWVHDIVZXVCND-UHFFFAOYSA-N 301.349 3.389 10 10 DGCE CSc1ncc(CNCc2ccc3c(c2)CCN3C)s1 2284692778 WIFRIYRPJUSUNH-UHFFFAOYSA-N 305.472 3.147 10 10 DGCE CC[C@H]1CN2CCCC[C@@H]2CN1Cc1cnc(SC)s1 2284678330 VNBJEKSQKUXIQF-QWHCGFSZSA-N 311.520 3.314 10 10 DGCE COc1ccccc1C=C1SC(N2CCC[C@H](C)C2)=NC1=O 2296665715 RWWQYNMURUGQMZ-LBPRGKRZSA-N 316.426 3.397 10 10 DGCE COc1ccc(C2=CC(=C3OC(=O)c4ccccc43)C(=O)O2)cc1 2297331136 UDXBPCPOTZWZGJ-UHFFFAOYSA-N 320.300 3.175 10 10 DGCE CN(C)c1ccc(C=C2OC(=O)c3cc([N+](=O)[O-])ccc32)cc1 2297454562 VJFQTJXSPJJPKG-UHFFFAOYSA-N 310.309 3.329 10 10 DGCE Cc1ncccc1/C=C/C(=O)N1C[C@H]2CCCN2c2ccccc21 492952282 GSHNADNNBCWNOL-SXSDINLZSA-N 319.408 3.419 10 10 DGCE CCN(CCN=[N+]=[N-])C[C@H](O)c1cccc(Br)c1 2315992662 PIJIHOAPZFLQFR-LBPRGKRZSA-N 313.199 3.115 10 10 DGCE O=C(O)C1CCN(N=Nc2ccc(Cc3ccncc3)cc2)CC1 2330232620 FMUGWOLVNGDREJ-UHFFFAOYSA-N 324.384 3.468 10 10 DGCE Cc1ccccc1NC(=S)NCCSCc1nc[nH]c1C 59346523 JJBPMFULHKAKNE-UHFFFAOYSA-N 320.487 3.246 10 10 DGCE Cc1cc(C(=O)CNC[C@@H]2CCCO2)c(C)n1-c1ccccc1 62657165 LABRGGFRGLWSBZ-KRWDZBQOSA-N 312.413 3.045 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)NCCC2=CCCC2)c1 126120314 WYJIBGQWYHSZCZ-GFCCVEGCSA-N 304.390 3.261 10 10 DGCE CC(C)C[C@@H](C)S(=O)(=O)NCc1ccc(N2CCCC2)cc1 74367945 ZMPXWGBITBTEBU-OAHLLOKOSA-N 324.490 3.141 10 10 DGCE COC(=O)c1cc(N)cc(Cl)c1Sc1nccs1 227048129 RWNPGQMFOVZYAL-UHFFFAOYSA-N 300.792 3.317 10 10 DGCE COc1ccc(Br)c(NCc2ccc(O)cc2O)c1 88316934 QCOVNENQTWHBPZ-UHFFFAOYSA-N 324.174 3.481 10 10 DGCE CC(C)N(CCN[C@@H](C)c1ccc(F)c(F)c1O)C(C)C 191185036 FRKALHVWESZKHS-LBPRGKRZSA-N 300.393 3.440 10 10 DGCE C[C@H](N[C@@H]1CCOC[C@@H]1C)c1cc(Br)ccc1O 278623301 RQAWNPHASIZDRN-OUJBWJOFSA-N 314.223 3.230 10 10 DGCE COc1cccc(O)c1CN1CC[C@](F)(c2ccccc2)C1 802656653 NPYBILXQZVGYPS-GOSISDBHSA-N 301.361 3.472 10 10 DGCE Cc1cc(CN(C)Cc2ccc(N3CCCCC3)cc2)ncn1 292198268 OLPFNWFVDXADTH-UHFFFAOYSA-N 310.445 3.407 10 10 DGCE c1cc(N2CCOCC2)ccc1CN[C@H]1CC[C@@H]1C1CCC1 800968476 OUARFKQFNUVGHX-MOPGFXCFSA-N 300.446 3.192 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)c1cc(C)cc(O)n1 816593557 VVZBTIZPIRRYNV-UHFFFAOYSA-N 314.385 3.244 10 10 DGCE CCOc1ccc(O)c(CN2C[C@]34CCCC[C@@]3(COC4)C2)c1 827849631 GJQDCVHKVDYJIL-OALUTQOASA-N 317.429 3.184 10 10 DGCE Cc1cccc(CN[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C)c1O 721879807 IYJCJUKDGXZOMG-DZGCQCFKSA-N 320.433 3.046 10 10 DGCE CC(C)[C@@H](O)[C@H](NCc1cc(F)ccc1O)c1ccccc1 827525685 CQMLVQOSPJVYHX-QZTJIDSGSA-N 303.377 3.379 10 10 DGCE CC[C@H](NC[C@@]1(OC(C)C)CCOC1)c1ccc(F)cc1O 903357220 LAYQGZCJHPZDLD-RDJZCZTQSA-N 311.397 3.156 10 10 DGCE COCCc1ccnc(NC/C=C\c2ccc(N(C)C)cc2)c1 835053140 SZTGSWTUPRKLFT-PLNGDYQASA-N 311.429 3.462 10 10 DGCE CN(C)c1ccc(/C=C\CN2CC[C@H](Cc3cnn(C)c3)C2)cc1 835029266 RXHBFOBPOQSIPW-PYTPGESOSA-N 324.472 3.064 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@@H]2CCC[C@@H](N(C)C)C2)cc1 835044129 WWKPLOHTMDHXRN-LJJUJYJISA-N 301.478 3.228 10 10 DGCE Cc1cc(C)n(CCCNC/C=C\c2ccc(N(C)C)cc2)n1 835033036 NUWCRILCYWYMFF-ALCCZGGFSA-N 312.461 3.259 10 10 DGCE C[C@@H](NC(=O)N1CC[C@]2(C1)CC2(F)F)c1ccc(N(C)C)cc1 845123701 CZSJHIVRMWCBLJ-MLGOLLRUSA-N 323.387 3.254 10 10 DGCE O=C(NCc1ccccc1O)[C@@H]1CSC[C@H]1c1ccccc1 845833267 JDKARWHETPXHDX-JKSUJKDBSA-N 313.422 3.155 10 10 DGCE CC(C)[C@@H]1N(Cc2cc3c(cc2O)OCO3)CC12CC=CC2 843431507 FWAPSOWRHDUSLW-KRWDZBQOSA-N 301.386 3.298 10 10 DGCE CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)Nc1ccc(N)cc1 841298623 CDBXRGLLWIFHOO-QGZVFWFLSA-N 313.401 3.165 10 10 DGCE C[C@@H](O)[C@@H](NCc1ccc(N(C)C)cc1)c1ccccc1F 846015186 BTCGZRIRCPIUIN-FZKQIMNGSA-N 302.393 3.103 10 10 DGCE CCc1ccccc1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855233518 IBHYBUSTCHOZBH-MRXNPFEDSA-N 324.424 3.266 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)c3sccc3C)C2)cc1 855235145 YYVKPCSGOLFBAW-CYBMUJFWSA-N 316.426 3.074 10 10 DGCE Nc1ccc(NC(=O)N2CCC[C@H](OC3CCC3)CC2)cc1 868162148 DTLRDTPTGPCQHU-INIZCTEOSA-N 303.406 3.224 10 10 DGCE CC[C@@H]1NCC[C@H]1N[C@H](C)c1cccc(C(F)(F)F)c1O 863543343 MTOSVRNWGKWRGT-JIMOISOXSA-N 302.340 3.202 10 10 DGCE CCN(C(=O)c1ccc(Br)o1)c1ccc(N)cc1 63113953 BGQBKADOKSIQGU-UHFFFAOYSA-N 309.163 3.291 10 10 DGCE COc1ccc(N(CCC(=O)O)Cc2ccc(F)cc2)cc1 71717411 TVKVKAMDCQDCJN-UHFFFAOYSA-N 303.333 3.316 10 10 DGCE CC[C@H](N[C@H](C)[C@@H]1CCCN(C(=O)OC)C1)c1ccccc1O 775579981 RQHHXCHVSCQGFJ-FMKPAKJESA-N 320.433 3.300 10 10 DGCE COc1ccc(CNc2ccc(O)cc2)c(Br)c1O 76276013 IGUKDZCBBKPTOY-UHFFFAOYSA-N 324.174 3.481 10 10 DGCE Oc1cccc(NC[C@@H]2CCN(c3ccc4c(c3)OCO4)C2)c1 76439842 LCAINNVZZQCQDP-ZDUSSCGKSA-N 312.369 3.059 10 10 DGCE CCOC(=O)[C@@H](NCCN=[N+]=[N-])c1c(Cl)cccc1Cl 90257593 KTAQTHBIKKHKMA-NSHDSACASA-N 317.176 3.498 10 10 DGCE O=C(NCc1cc(O)ccc1O)c1cccc(Cl)c1Cl 1153879108 FHFBJZNBYWEDBC-UHFFFAOYSA-N 312.152 3.335 10 10 DGCE Cc1c(Br)csc1C(=O)NCCCN=[N+]=[N-] 2210636255 URBQSFLIAYTJAZ-UHFFFAOYSA-N 303.185 3.249 10 10 DGCE Oc1ccc(Br)cc1CN1[C@H]2CC[C@H]1[C@H]1CC[C@H]2O1 1901202953 IJJNFAMMSHVMRV-DDHJSBNISA-N 324.218 3.049 10 10 DGCE Cc1ncccc1/C=C\C(=O)N1CCOc2c(F)cc(F)cc21 1437291705 YHUGXVONRLIYQG-PLNGDYQASA-N 316.307 3.107 10 10 DGCE [N-]=[N+]=NC1CN(C(=O)CCOc2ccc(Cl)c(Cl)c2)C1 1912210881 OXJBXFMOOUJWFT-UHFFFAOYSA-N 315.160 3.283 10 10 DGCE CN(Cc1ccccc1O)C(=O)c1ccccc1-c1cn[nH]c1 1294673260 ACDHCEXBMKIUFB-UHFFFAOYSA-N 307.353 3.055 10 10 DGCE C[C@H](NC(=O)c1cnc2cc[nH]c2c1)c1ccc(N(C)C)cc1 1523640102 YGRKVZIVQNMLQD-LBPRGKRZSA-N 308.385 3.120 10 10 DGCE Cc1ccncc1/C=C/C(=O)N1CCOc2c(F)ccc(F)c21 1538194476 LEMRWXWQHIMWRS-GORDUTHDSA-N 316.307 3.107 10 10 DGCE CCC[C@H](C)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 1539707382 RCXHWQOUAIWBBG-YJBOKZPZSA-N 319.493 3.298 10 10 DGCE Cc1ccc(O)c(CNC(=O)CCOc2ccc(Cl)cc2)c1 1470254593 IZQNJJHEMFGSFU-UHFFFAOYSA-N 319.788 3.439 10 10 DGCE C[C@@H](Oc1ccccc1F)C(=O)N[C@H](C)c1ccccc1O 1635793867 LNWORMDUIQYZPY-VXGBXAGGSA-N 303.333 3.176 10 10 DGCE O=C(N[C@@H]1CCc2cc(F)c(F)c(F)c21)c1cc(O)cs1 1569132334 BTLIQYNWWIZYIW-SECBINFHSA-N 313.300 3.288 10 10 DGCE COc1ccc(N(C)CCCn2c(O)nc3ccccc32)cc1 1643695086 ADLVVGVNGXJVSW-UHFFFAOYSA-N 311.385 3.277 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)NCc2cccc3[nH]ccc23)cc1 1650818597 CXGUQQQLOWKNQF-UHFFFAOYSA-N 321.340 3.260 10 10 DGCE c1cc2c(cc1CN[C@@H]1CC[C@H]3SCCS[C@H]13)CCCO2 1656037623 DDYXEYGJWMEMMQ-DJIMGWMZSA-N 321.511 3.481 10 10 DGCE COc1ccc(/C(C)=C\C(=O)NCc2cc(C)ccc2O)cc1 1584983089 CEUNUBYUYCCQGK-KAMYIIQDSA-N 311.381 3.429 10 10 DGCE O=C1CCCN1CCCNCc1cc(-c2ccccc2)ccc1O 12029748 BYUQQNLWSOWTKL-UHFFFAOYSA-N 324.424 3.161 10 10 DGCE O=C(CCn1c2c(c3ccccc31)CCCC2)N1CC(F)C1 1851012826 NEUGLZCPWKALMU-UHFFFAOYSA-N 300.377 3.091 10 10 DGCE Cc1ccc(Cl)cc1/N=N/N1CCN(c2ncccn2)CC1 1860482538 KFNFBFWFIDVARK-FMQUCBEESA-N 316.796 3.259 10 10 DGCE CN(c1ccc(CN)cc1Cl)C1CCP(C)(=O)CC1 1879107840 WJHUKFIMAQWWKW-UHFFFAOYSA-N 300.770 3.390 10 10 DGCE Oc1c(Br)cccc1CN[C@@H]1C[C@H]2C[C@H]1C[C@@H]2F 1967869646 TWZXHQLPQMAQKE-RSLMWUCJSA-N 314.198 3.381 10 10 DGCE Oc1cc(Br)ccc1CNC[C@@H]1C(F)(F)C12CC2 1974195641 INMNBGJBKOXBBJ-NSHDSACASA-N 318.161 3.290 10 10 DGCE CCCN(C[C@@H](N)c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C 1977944435 FVAGDXOOVPOWBU-MRXNPFEDSA-N 321.465 3.400 10 10 DGCE C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1NCc1cc(Br)cc(F)c1O 715738300 RHXVKNRCSPSLOW-ROBVANNZSA-N 314.198 3.428 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)c1cnn(C2CCCC2)c1 2062849507 YZPNDSRMNRJABM-UHFFFAOYSA-N 319.792 3.287 10 10 DGCE CCNC(=O)c1cc(C(C)C)nn1[C@H](C)c1c(O)cccc1F 2070161455 LGBFHVSYJIBCSK-LLVKDONJSA-N 319.380 3.210 10 10 DGCE Cc1cc(O)c([C@@H](C)n2nc(O)cc2Br)cc1C 2070313724 ZKUFZYTVNPNCAC-SECBINFHSA-N 311.179 3.283 10 10 DGCE C[C@@H](NCc1c(O)cccc1Br)c1cncs1 897929787 AGBYZSHCZGPYSR-MRVPVSSYSA-N 313.220 3.462 10 10 DGCE CCc1nn(Cc2cc(F)ccc2O)c(Br)c1C 2079615667 FVCYELMTVYYGHL-UHFFFAOYSA-N 313.170 3.409 10 10 DGCE Cc1cc(Br)cc(CN(C)CCOC(F)F)c1O 2082821826 JBVFCMNAADCUIN-UHFFFAOYSA-N 324.165 3.134 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@](F)([C@@H](N)c2ccccc2O)C1 2243008933 PHKSFIIAEONHBM-WMLDXEAASA-N 324.396 3.131 10 10 DGCE CSc1ncc(CNC(=O)c2ccc(Cl)cc2N)s1 2269092201 FDKCBWPOVDYCHO-UHFFFAOYSA-N 313.835 3.031 10 10 DGCE CSc1ncc(CNc2nc(C(=O)O)ccc2Cl)s1 2269094649 UHIXDZZZSQRKHK-UHFFFAOYSA-N 315.807 3.224 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)Nc1cccc(OCCF)c1 2308002322 TVRAZEUUIGQCLW-UHFFFAOYSA-N 317.316 3.098 10 10 DGCE CC(C)OC(=O)c1cccc(N=NN2C[C@H](C)O[C@H](C)C2)c1 2330233090 YRQCUYGHNYNEMB-BETUJISGSA-N 305.378 3.360 10 10 DGCE CC[C@H](COC)N(C)Cc1ccc(C)c(Br)c1O 2327580315 DLPYIYNKAFMRBL-GFCCVEGCSA-N 316.239 3.320 10 10 DGCE Cc1cncc(N(C)Cc2ccc(C)c(Br)c2O)n1 2352639348 XLLUXRLSNBVNKE-UHFFFAOYSA-N 322.206 3.198 10 10 DGCE C[C@@H](N)c1ccc(N(C)[C@@H]2CCSC2)c(Br)c1 61695011 BVKCCIVAPPHNIY-MWLCHTKSSA-N 315.280 3.411 10 10 DGCE CN[C@H](C)c1ccc(N2CCSCC2)c(Br)c1 61694581 PNULJYKAAIQPBB-SNVBAGLBSA-N 315.280 3.283 10 10 DGCE Cc1ccc2c(c1)/C(=C1\SC(c3ccccc3)=NC1=O)C(=O)N2 38176463 MEPXTAKEWSAWDG-CCEZHUSRSA-N 320.373 3.378 10 10 DGCE Cc1cc(C(=O)N[C@@H]2C[C@@H]3OCCC[C@@H]32)c(C)n1-c1ccccc1 189378927 NNXLVKMCTYDMIM-QRQLOZEOSA-N 324.424 3.391 10 10 DGCE Cc1ccc(C(=O)N(C)[C@@H](C)Cc2ccsc2)c(O)c1O 182555025 JEJCMLFSTMYHIV-NSHDSACASA-N 305.399 3.171 10 10 DGCE Cc1cc2nnn(CCCCOc3ccc(N)cc3)c2cc1C 41582590 VBAJATPIXMMJKX-UHFFFAOYSA-N 310.401 3.490 10 10 DGCE COc1ccc(CNC2CC2)cc1Cn1ncc(Cl)c1C 80010293 HTVMDLSOEFIACZ-UHFFFAOYSA-N 305.809 3.154 10 10 DGCE CCN(Cc1ccc(OC)cc1O)C[C@@H](O)c1ccc(C)cc1 93641254 PHYNFKQFVSHALA-LJQANCHMSA-N 315.413 3.265 10 10 DGCE COCCN(C)c1ccc(CNC(C)C)cc1Br 234625166 JLSIVBNWPIBWSA-UHFFFAOYSA-N 315.255 3.030 10 10 DGCE CC(=O)N(C(=O)Nc1ccc(N)c(Cl)c1)c1ccc(N)cc1 243068834 IJXXGBCTMVWGAK-UHFFFAOYSA-N 318.764 3.089 10 10 DGCE CCc1nc([C@@H]2CCCCN2Cc2cc(OC)ccc2O)no1 378440498 BKYVAJFDCFFCHJ-AWEZNQCLSA-N 317.389 3.073 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1[C@@H](COc2ccc(N)cc2)C1(C)C 1952925313 OGPXGTNMXQANMP-KGLIPLIRSA-N 306.406 3.197 10 10 DGCE COc1cc(CN2[C@H]3CC[C@H]2[C@H](CO)C3)c(O)c(C(C)(C)C)c1 811795963 KZPOHNURDCEZLU-ZQIUZPCESA-N 319.445 3.044 10 10 DGCE Cc1cc(Cl)cc(CN2C[C@H](CO)c3ccccc32)c1O 816636900 LBVVYGOCCRDFJU-CYBMUJFWSA-N 303.789 3.450 10 10 DGCE Cc1cc(CN2CCC3(CCOCC3)[C@@H]2C)ccc1N(C)C 815092973 YFQYOMCNIGPZMP-INIZCTEOSA-N 302.462 3.452 10 10 DGCE COc1nscc1CN(C)c1ccc([C@@H](C)N)c(Cl)c1 723214301 ICEUONIJEXDBHG-SECBINFHSA-N 311.838 3.461 10 10 DGCE COc1cc(CN2CC[C@@H](O)C2(C)C)c(O)c(C(C)(C)C)c1 825956241 ZTDIDILPDSSDNV-OAHLLOKOSA-N 307.434 3.044 10 10 DGCE Cc1cnccc1/C=C\C(=O)N[C@H](C)c1ccc(N(C)C)cc1 829817739 QBJDBVBZELNLMN-YYRKOSNBSA-N 309.413 3.347 10 10 DGCE O=C(N[C@H](c1ccccc1)c1ccncc1)c1cc(O)cs1 732266493 DTYOYWBKDCDSEP-MRXNPFEDSA-N 310.378 3.368 10 10 DGCE CC[C@H](N[C@H](CC)C(=O)NC)c1cc(Cl)cc(Cl)c1O 834911199 HUMJELYLSCFIJM-NWDGAFQWSA-N 319.232 3.264 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](C)CC(F)(F)F 837424904 YVSASDNNYBWDPW-NSHDSACASA-N 302.340 3.266 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1C[C@H]([C@@H](N)c2ccccc2O)C1(C)C 1896846408 LOENERGFZDOGNY-YUELXQCFSA-N 320.433 3.331 10 10 DGCE Cc1cc(O)c(CN2CC[C@H]([C@@H](O)C(F)(F)F)C2)c(Cl)c1 840951328 WJGASZROOIXABG-TVQRCGJNSA-N 323.742 3.099 10 10 DGCE CS[C@@H]1CCC[C@@H](NC(=O)NCc2c(O)cccc2F)C1 919224999 DGESIXOCSAUCJC-GHMZBOCLSA-N 312.410 3.005 10 10 DGCE Cc1cc(N(C)C)ccc1CNc1cccc([C@@H]2CNC(=O)C2)c1 840928909 AQXBFKQITHKYTP-KRWDZBQOSA-N 323.440 3.277 10 10 DGCE C[C@@H](O)[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccccc1F 846015603 CROKFUOURWIXEI-KZULUSFZSA-N 320.383 3.243 10 10 DGCE COc1ccc(N2CC[C@H](Nc3nc4ccccc4n3C)C2)cc1 853758858 LKJGRHJOXLUAEX-AWEZNQCLSA-N 322.412 3.273 10 10 DGCE Cc1ccc(O)c(CNC(=O)N[C@H](C)CCc2ccc(C)o2)c1 858255031 OOJXWWJJYRNSHZ-CYBMUJFWSA-N 316.401 3.423 10 10 DGCE C[C@@H](NC[C@H]1C[C@@H]2C[C@@H]2C1)c1ccc(N2CCOCC2)cc1 851897068 OCRDBJLZQMCGFM-XYVMCAHJSA-N 300.446 3.220 10 10 DGCE CN(C)c1ccc(/C=C\CNc2ccc3c(c2)OCCNC3)cc1 863649825 JAHUTLLSMPFWSY-ARJAWSKDSA-N 323.440 3.360 10 10 DGCE C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1cc(-c2ccccc2)ccc1O 768443048 YBQMOZWONSGMHX-RHSMWYFYSA-N 324.424 3.145 10 10 DGCE COc1ccc(O)c([C@H](C)Nc2cccc(-n3nccn3)c2)c1 864021557 CZBRMSNSYOWKDH-LBPRGKRZSA-N 310.357 3.155 10 10 DGCE COc1cc2c(cc1OC)N(CC(F)(F)F)C(C)(C)CN2 57926311 XPZDJYLGYQDFLR-UHFFFAOYSA-N 304.312 3.277 10 10 DGCE CCOC(=O)c1cc(CN(C)c2ccc(OC)c(Cl)c2)on1 877182449 YTNOCUGFZGHVMN-UHFFFAOYSA-N 324.764 3.150 10 10 DGCE NCc1ccc(N2CC[C@@H](C(F)(F)F)C2)c(Br)c1 385516469 YCKPLWUJQZPQJU-SECBINFHSA-N 323.156 3.296 10 10 DGCE COc1cc(C)cc(CN2CC[C@@H](Cc3ccncc3)C2)c1O 782291927 SEZSFQUVVYOLSQ-INIZCTEOSA-N 312.413 3.169 10 10 DGCE c1csc(SCCCNCc2cn3ccnc3s2)n1 893045330 PWDCZJOPPBIDLI-UHFFFAOYSA-N 310.473 3.124 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)c1nc(Cl)ccc1Cl 701322488 AWWQHDDPFVAKCH-ZETCQYMHSA-N 300.149 3.303 10 10 DGCE Cc1cccc(N)c1N[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 1959363487 KUEYBDUAEZKDDX-KGLIPLIRSA-N 305.422 3.435 10 10 DGCE CC[C@@H]1OCC[C@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 795769651 TVMIGEMWXQROEU-MSOLQXFVSA-N 316.445 3.108 10 10 DGCE Cc1cc(C)cc(-n2c(C)cc(C(=O)N[C@@H]3[C@H]4COC[C@H]43)c2C)c1 794227383 OBMUKODRIRFHJY-BWTSREIZSA-N 324.424 3.086 10 10 DGCE CN[C@@H](CSc1nccs1)c1cc(OC)ccc1OC 81889436 MUAQMKXZVQOWLE-LBPRGKRZSA-N 310.444 3.213 10 10 DGCE C[C@@H](NCc1cc(Br)no1)c1ccc(N(C)C)cc1 718880431 BDCBGSRXYQTORY-SNVBAGLBSA-N 324.222 3.354 10 10 DGCE CCN1CC[C@@H](N(C)Cc2ccc(N(C)CC)cc2)[C@H](C)C1 1320876920 UAFNTGMATNLLCN-VQIMIIECSA-N 303.494 3.305 10 10 DGCE NC[C@H]1C[C@@]2(CCN2Cc2cc(Cl)cc(Cl)c2O)C1 2125790872 TWTBVOHPQFDGTH-KMHCFJFGSA-N 301.217 3.012 10 10 DGCE CCN(C)c1ccc(CN2CCC[C@H]2Cc2ccnn2C)cc1 1198821726 VEJRPAHGCJILEH-IBGZPJMESA-N 312.461 3.083 10 10 DGCE C[C@@H](N)c1ccc(N(Cc2ccccc2)[C@H](C)CO)c(F)c1 1914367286 YDRHQMUEDRRNIG-ZIAGYGMSSA-N 302.393 3.233 10 10 DGCE Cc1cc(N(Cc2ccccc2)C2(CO)CCC2)ccc1CN 1915758699 UULFVZWVKWKCMK-UHFFFAOYSA-N 310.441 3.375 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 1461346804 SBYAEWYINHDMKF-RLFYNMQTSA-N 316.445 3.026 10 10 DGCE CCc1cc(N[C@H](C)Cc2ccc(O)c(O)c2)nc(CC)n1 1472754778 AJYYDYWBUKLUAW-LLVKDONJSA-N 301.390 3.056 10 10 DGCE CCSc1ccccc1CCNC(=O)c1cccc(O)c1O 1471756212 SVQMFHFCGNICOY-UHFFFAOYSA-N 317.410 3.182 10 10 DGCE Cc1ccc(O)c(CNC(=O)Cc2nsc3ccccc23)c1 1470254607 JNLHNXXDGNNDRQ-UHFFFAOYSA-N 312.394 3.169 10 10 DGCE CN1CCCc2[nH]c3c(C(=O)Nc4ccc(N)cc4)cccc3c21 212481369 ZPGFUVRLCMKEKJ-UHFFFAOYSA-N 320.396 3.385 10 10 DGCE C[C@H](NC1CC(NC(=O)OC(C)(C)C)C1)c1ccccc1O 227579032 KNKWDCYQPUPGOO-HIFPTAJRSA-N 306.406 3.099 10 10 DGCE CCc1cc(O)ccc1NC(=O)c1ccc(N=NC(N)=O)cc1 1625121769 GYPMEXGDJPWTHG-UHFFFAOYSA-N 312.329 3.369 10 10 DGCE O=C(Nc1cscc1Br)c1ccc(O)c(O)c1 1926854693 LSBDWJNBPYRGCX-UHFFFAOYSA-N 314.160 3.174 10 10 DGCE CC(=O)Nc1ccc(C)c(C(=O)N[C@H](C)c2ccccc2O)c1 1632247144 SCCRCKKNKYEOCF-GFCCVEGCSA-N 312.369 3.150 10 10 DGCE COc1ccc(CN[C@@H](CNC(=O)C2CCC2)C(C)C)cc1C 1568440729 CKFWNZJFCKCSSL-KRWDZBQOSA-N 318.461 3.034 10 10 DGCE COc1cccc(CNCc2ccccc2O)c1Br 1927301989 BKTRVCZRVUJSFX-UHFFFAOYSA-N 322.202 3.453 10 10 DGCE COc1cc(N2CC[C@H]3CC[C@@H](C3)C2)c([N+](=O)[O-])cc1OC 1643241255 SAEZDHZRZYITHG-NEPJUHHUSA-N 306.362 3.238 10 10 DGCE COc1cccc(CNC(=O)NC[C@H]2CCC=CCCC2)c1O 1676704150 BVNPTXMFSHLPBG-AWEZNQCLSA-N 318.417 3.337 10 10 DGCE CC(C)NCc1ccc(N(C)Cc2cnn(C)c2)c(Cl)c1 163987759 YCEPZJAMTXJMDF-UHFFFAOYSA-N 306.841 3.208 10 10 DGCE CC(C)NCc1ccc(N(C)C[C@H]2CCN(C)C2)c(Cl)c1 164068893 PSFWSUBKZIIFEU-HNNXBMFYSA-N 309.885 3.226 10 10 DGCE O=[N+]([O-])c1ccc(O)c(N=c2[nH]nc(-c3cccs3)s2)c1 1859843829 ZBHQTYKKDPDJNO-UHFFFAOYSA-N 320.355 3.046 10 10 DGCE CC(C)Oc1ccccc1/C=C1\C(=O)N(C)N=C1C(F)(F)F 1865676038 NEADFHPJNVOCEH-FLIBITNWSA-N 312.291 3.248 10 10 DGCE COc1ccc(CN[C@@H]2CC[C@@H]2OCc2ccccc2)c(O)c1 1939575792 OANIQABRTKAEPN-MJGOQNOKSA-N 313.397 3.238 10 10 DGCE CCN[C@H](c1ccccc1O)[C@H]1C[C@H]1CNC(=O)OC(C)(C)C 1936974963 OZOXWFQMIDUWHM-DUVNUKRYSA-N 320.433 3.204 10 10 DGCE COc1ccc(Br)c(CNC2(C3CC3)CC2)c1O 1964041900 IGQSONKYSFANHX-UHFFFAOYSA-N 312.207 3.196 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)C1(N)c1ccccc1O 1976669991 GAALLQVIRLJVGG-CHWSQXEVSA-N 320.433 3.069 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCCCN(Cc2ccc(N)cc2)C1 1977925927 MYCZDDFHACFMBF-MRXNPFEDSA-N 319.449 3.148 10 10 DGCE CC[C@](O)(CCNC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1977961400 YRPKVBJBEQOIFD-SFHVURJKSA-N 322.449 3.265 10 10 DGCE Cc1ccnc(CNCc2cc(Br)ccc2O)c1 328116241 PHPFHOMEOBNEOX-UHFFFAOYSA-N 307.191 3.148 10 10 DGCE CC[C@@H]1C[C@@H](N(C)Cc2c(O)cccc2Br)CO1 707165489 FHKWATJHUAHTOA-GHMZBOCLSA-N 314.223 3.154 10 10 DGCE Oc1c(Br)cc(Cl)cc1CNCc1cnoc1 708202210 ATXOUWNWTMHALA-UHFFFAOYSA-N 317.570 3.086 10 10 DGCE CCN(C[C@H](C)OC)c1ccc([C@H](C)N)cc1Br 383234739 RRCGHYVSZYYAAJ-QWRGUYRKSA-N 315.255 3.330 10 10 DGCE C[C@@H](NCc1cccc(Br)c1O)[C@@H]1CCCCO1 393685546 VYGZASINIYNAJU-MFKMUULPSA-N 314.223 3.202 10 10 DGCE CN(Cc1cc(Br)ccc1O)[C@@H]1COC(C)(C)C1 396520331 IVHYDTWXCQZIJO-LBPRGKRZSA-N 314.223 3.154 10 10 DGCE CNCc1ccc(N(C)[C@H]2CS[C@H](C(F)(F)F)C2)cc1 2189460798 DYXHXFOZEYPYSC-OLZOCXBDSA-N 304.381 3.279 10 10 DGCE CNCc1ccc(N2C[C@@H](F)C[C@H](F)C2)cc1Br 2062397831 XNIWSQBHOFXVRN-QWRGUYRKSA-N 319.193 3.055 10 10 DGCE Oc1c(Br)cccc1CNCc1cnoc1C1CC1 2093965328 UQSWYOLALXHEQI-UHFFFAOYSA-N 323.190 3.310 10 10 DGCE Nc1ccc(CCOc2cc(N)cc(Br)c2)cc1 2218871881 XDACCPPFAXWXIG-UHFFFAOYSA-N 307.191 3.235 10 10 DGCE Cc1ccc(Br)c([C@@H](O)[C@@H](N)c2ccccc2O)c1 2228071522 CHHDPYDVLNQDME-LSDHHAIUSA-N 322.202 3.197 10 10 DGCE CN1CCc2cc(CNc3cnccc3Br)ccc21 2278760469 LWWVFROGNQSHDE-UHFFFAOYSA-N 318.218 3.449 10 10 DGCE C[C@H](N)c1ccc(N2C[C@@H]3C[C@H]2[C@H]2C[C@@H]23)cc1Br 2308721219 UTWDGEGATVKERC-AOJZFLCDSA-N 307.235 3.313 10 10 DGCE CCN(CCN=[N+]=[N-])C(=O)c1ccc(Br)cc1F 2315990092 WVGONCDHTUZUON-UHFFFAOYSA-N 315.146 3.361 10 10 DGCE Cc1ccc(CN[C@@]2(C)CCO[C@@H]2C)c(O)c1Br 2327799401 VCBWBNVXXMVDSU-YGRLFVJLSA-N 314.223 3.120 10 10 DGCE C[C@@H](NCCCN(C)Cc1ccccc1)c1ccc(O)cc1O 302832674 MPUGQSZXYZNZTF-OAHLLOKOSA-N 314.429 3.271 10 10 DGCE Cc1cc(O)c(O)cc1CCNC(=O)c1ccccc1Cl 170188482 CATUSPNCYCRPCU-UHFFFAOYSA-N 305.761 3.032 10 10 DGCE CCO[C@@H]1C[C@@H](N[C@@H](C)c2cc(F)ccc2O)C12CCOCC2 186311189 ZFEVIATYQLSQJC-JCURWCKSSA-N 323.408 3.156 10 10 DGCE CC(C)(C)OC(=O)N1CCCC[C@@H](NCc2ccccc2O)C1 226650963 CPNYZUDXNIGWEV-OAHLLOKOSA-N 320.433 3.271 10 10 DGCE Cc1ccc(O)c(CN(CC(=O)O)c2ccc(Cl)cc2)c1 86751175 AOBNDTWKTOTVEJ-UHFFFAOYSA-N 305.761 3.445 10 10 DGCE COc1cc(Cl)c(N(CC(C)(C)O)C(C)C)c(OC)c1 2368115927 DHBRGNHRCYSBIU-UHFFFAOYSA-N 301.814 3.343 10 10 DGCE CCOc1ccc(O)c(CN2CCO[C@@H](c3cccs3)C2)c1 92594700 OHSFZPJHZKTXKA-MRXNPFEDSA-N 319.426 3.426 10 10 DGCE Cc1cc(C(=O)NCCCN=[N+]=[N-])sc1Br 94538269 PVLRNPNFFFBOPE-UHFFFAOYSA-N 303.185 3.249 10 10 DGCE COc1ccc(CN2C[C@H](C)OC[C@@H]2c2ccccc2)c(O)c1 245803176 YCVIYPXRRZABEJ-KBXCAEBGSA-N 313.397 3.363 10 10 DGCE COCCNCc1ccc(N2CCS[C@H](C)[C@H]2C)cc1C 253077997 SOVIXBQCMYDLCK-HUUCEWRRSA-N 308.491 3.061 10 10 DGCE O=C(/C=C\c1ccc(N2CCOCC2)cc1)OC1CCCCC1 255833352 YSOLIPFIOLCYKD-FLIBITNWSA-N 315.413 3.412 10 10 DGCE C[C@H](N[C@@H](C)[C@H](O)c1ccccc1)c1cc([N+](=O)[O-])ccc1O 290187962 FUKXVARPJDMOPT-PRXAMGSTSA-N 316.357 3.073 10 10 DGCE Cc1cc(Br)c(O)c(CNCCCOC(F)F)c1 800895653 SRFRHGNXOVTYFC-UHFFFAOYSA-N 324.165 3.182 10 10 DGCE O=C(NCc1ccccc1O)N[C@@H]1Cc2ccc(Cl)cc2C1 800017461 KBEBDOGAWKKBFF-OAHLLOKOSA-N 316.788 3.012 10 10 DGCE C[C@H](NC(=O)[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1O 827964757 UEAMMYHWKJQDKY-DOTOQJQBSA-N 324.424 3.092 10 10 DGCE COc1cccc(CNC(=O)NC[C@@H]2CC3CCC2CC3)c1O 827464227 YIDFOZKJZVOITP-PIMMBPRGSA-N 318.417 3.026 10 10 DGCE CCN(CC)c1ccc(CN2C[C@@H](C)[C@H](CC(=O)O)C2)cc1 902555783 DJIFEQBWXBGETL-GDBMZVCRSA-N 304.434 3.075 10 10 DGCE CC(C)CN1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 835025752 MUKIKMBKZGBVDB-AATRIKPKSA-N 301.478 3.039 10 10 DGCE CCOc1ccc(O)c(CNCc2c(C3CCC3)cnn2C)c1 850391287 LHMRBYYJPSGGED-UHFFFAOYSA-N 315.417 3.082 10 10 DGCE C/C(=C\C(=O)N(CC1CC1)c1cccc(F)c1)c1cnccn1 869716543 BZVJSEZPQAPDOD-UKTHLTGXSA-N 311.360 3.462 10 10 DGCE CCOc1ccc(CN(C)CCc2ncc(C)s2)c(O)c1 769525341 UGLNKEGFLSWRSI-UHFFFAOYSA-N 306.431 3.230 10 10 DGCE FC1(F)[C@H]2C[C@H](NCc3ccc(N4CCOCC4)cc3)CC[C@H]21 1118564506 CNFZHQFKPFPTST-OIISXLGYSA-N 322.399 3.047 10 10 DGCE CN(C)c1ccnc(NCc2ccc(N3CCCCC3)cc2)n1 770455705 QZPMHDBTFJURAD-UHFFFAOYSA-N 311.433 3.145 10 10 DGCE Cc1cccc(O)c1CNC(C)(C)CNC(=O)OC(C)(C)C 1958787873 XVNFVSCHOYSKLP-UHFFFAOYSA-N 308.422 3.094 10 10 DGCE CCNC(=O)N(C)c1cccc(NCc2cc(C)ccc2O)c1 793316825 GXMJXRWOUIGIFD-UHFFFAOYSA-N 313.401 3.478 10 10 DGCE CC(=O)N1CCc2c(NCc3cc(F)cc(F)c3O)cccc21 1202092334 GPFUGPCZGPWSNL-UHFFFAOYSA-N 318.323 3.192 10 10 DGCE CC[C@H]1[C@@H](Nc2ccccc2N)CCN1C(=O)OC(C)(C)C 1959367790 PVVPHDSVZNEPOW-GJZGRUSLSA-N 305.422 3.469 10 10 DGCE C[C@H](NC(=O)c1cccc(Cn2ccnc2)c1)c1ccccc1O 1302538195 JTWKNENFISERQD-AWEZNQCLSA-N 321.380 3.128 10 10 DGCE CNCc1ccc(N(Cc2ccccc2)[C@H](CO)C2CC2)cc1C 1915163043 KUWJUYHIYDCOCF-OAQYLSRUSA-N 324.468 3.492 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@H]2[C@@H](C1)C2(F)F 1350536057 PTIANFDWBIOGQC-BTTYYORXSA-N 324.371 3.358 10 10 DGCE [N-]=[N+]=N[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 1912197518 VHHCKKKDIYQKDD-SSDOTTSWSA-N 321.189 3.067 10 10 DGCE COc1cnc2ccccc2c1C(=O)N[C@H](C)c1ccccc1O 1454803906 HJZIPZSTGGQTDD-GFCCVEGCSA-N 322.364 3.440 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCC[C@@H](N(C)C)C1 1545505090 TZLPSBKNJDLCMT-NVXWUHKLSA-N 318.461 3.251 10 10 DGCE CC[C@@H](C)CC(=O)NC[C@@H](C)NCc1ccc(OC)c(C)c1 1491441023 IFSLILXCLHYHBC-UKRRQHHQSA-N 306.450 3.034 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@@H]1C[C@H]1C(C)C 1635992638 VLLMDDWOLMGODZ-FHLIZLRMSA-N 317.477 3.336 10 10 DGCE CCOc1ccc(N(CCOC[C@@H]2CCCO2)CC2CC2)cc1 1648030682 SEQUGBPYMSPGMB-IBGZPJMESA-N 319.445 3.497 10 10 DGCE CC(=O)c1ccc(N(C)C(=O)/C=C/c2cnc(C)s2)cc1 1583376112 HSYKXENDSOHCEM-CMDGGOBGSA-N 300.383 3.330 10 10 DGCE O=C(c1cccc(O)c1O)N(C1CC1)[C@@H]1CCc2ccccc21 1597795019 AGQFFGHCIBFHMX-MRXNPFEDSA-N 309.365 3.390 10 10 DGCE C[C@@H]1CCCN(CCCN=[N+]=[N-])[C@@H]1CNC(=O)OC(C)(C)C 1962287847 NVYPVLWQYGAPTP-CHWSQXEVSA-N 311.430 3.312 10 10 DGCE CCc1nc(Br)cc(Sc2nccs2)n1 160895520 GJGFUYCUIYEOOC-UHFFFAOYSA-N 302.222 3.409 10 10 DGCE CC[C@@H]1C[C@H](NCc2c(O)cccc2Br)CCO1 858180044 KALYPOLLOCFXIZ-GHMZBOCLSA-N 314.223 3.202 10 10 DGCE COc1ccc(Br)c(CNC2(C)CC(F)C2)c1O 1966051482 RSCLONZZXLKEPG-UHFFFAOYSA-N 318.186 3.144 10 10 DGCE Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(O)c(F)c1 2145854026 YRSLWTLCERHAHN-UHFFFAOYSA-N 315.753 3.294 10 10 DGCE NCc1ccc(N2CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 2003121915 SOTQEVXUSZQDAV-UXHICEINSA-N 321.468 3.104 10 10 DGCE CN(C)c1ccc([C@H](O)[C@@]2(C)CCN2C(=O)OC(C)(C)C)cc1 1977938907 MJBFZBRPYSJFGY-MAUKXSAKSA-N 320.433 3.186 10 10 DGCE Cc1cccc(CN[C@@H]2CC[C@H]2CNC(=O)OC(C)(C)C)c1O 1986710861 YRVXFBLZHJHQHJ-DZGCQCFKSA-N 320.433 3.094 10 10 DGCE Oc1ccc(Br)cc1CN[C@@H]1C[C@@H]1C(F)(F)F 1998614434 LMSWSUGAJBAAAY-DTWKUNHWSA-N 310.113 3.195 10 10 DGCE N[C@H]1CCc2cc(N3C[C@H]4C[C@H]3CN4Cc3ccccc3)ccc21 2012708790 HPQIGBWKFNXVNB-DYXWJJEUSA-N 319.452 3.096 10 10 DGCE C[C@H]1C[C@@]1(F)CN(C)c1ccc(CN)c(Br)c1 2025731753 RPDKSJWUIXWWSU-TVQRCGJNSA-N 301.203 3.092 10 10 DGCE C[C@]12CN(Cc3ccccc3)C[C@H]1CN(c1ccc(CO)cc1)C2 702068576 ZONBZEUGKGGLNT-PZJWPPBQSA-N 322.452 3.137 10 10 DGCE C[C@@H](NCc1ccn(Cc2ccccc2)n1)c1ccc(O)cc1O 389916764 AHKXCHMVJYJXDB-CQSZACIVSA-N 323.396 3.193 10 10 DGCE CCNCc1ccc(N(C)C[C@@H]2OCC[C@H]2F)cc1Cl 2179098512 APEOHBBMIJKWJO-CABCVRRESA-N 300.805 3.013 10 10 DGCE C[C@H](O)c1ccc(N2CCS[C@H]3COCC[C@@H]32)c(Cl)c1 2170501659 COVFWUQSTJXUJE-LKTVYLICSA-N 313.850 3.104 10 10 DGCE Cc1cccc(Cn2nc(C3CC3)c(C(F)(F)F)c2N)c1O 2079799374 YRYVFYVPQXLFPE-UHFFFAOYSA-N 311.307 3.424 10 10 DGCE CNCc1ccc(N(C)C[C@@H]2[C@H]3CC[C@H]32)c(Br)c1 2041991111 RLVNGNJGLZJWFL-ITGUQSILSA-N 309.251 3.261 10 10 DGCE CNCc1ccc(N(C)[C@H]2CCC[C@@H]2F)cc1Br 2055374278 VLMZUGQVTVYZIL-KBPBESRZSA-N 315.230 3.495 10 10 DGCE CCn1c(C2=CC[C@@H](N)C2)nc2cc(Br)ccc21 2057319104 OKTVJUIPFTZZHW-LLVKDONJSA-N 306.207 3.323 10 10 DGCE Cc1cc(CO)ccc1N1C[C@](C)(F)[C@](C)(Br)C1 2084854878 FGEVGHFULNBVEY-KGLIPLIRSA-N 316.214 3.189 10 10 DGCE COCC1(CNCc2ccc(Cl)cc2O)CC(F)(F)C1 2295653756 ZUFDTJQTTNMHNY-UHFFFAOYSA-N 305.752 3.197 10 10 DGCE Nc1ccc(CCOCc2nc(Br)cs2)cc1 2303316170 TVGRIYWMMXAWLS-UHFFFAOYSA-N 313.220 3.247 10 10 DGCE CCCC(=O)Nc1ccc(O)c([C@H](C)NCC(F)(F)F)c1 21812331 HUPBSHDSCXBJOU-VIFPVBQESA-N 304.312 3.344 10 10 DGCE O=C(O)c1ccc(/N=N\c2c(C(=O)O)nc3ccccn23)cc1 71581153 YTVCPJDYYQMHSD-ZCXUNETKSA-N 310.269 3.146 10 10 DGCE CCN[C@@H](c1ccc(N(C)C)cc1)c1c(Cl)cnn1CC 97420955 ANXONEJUINGZRB-HNNXBMFYSA-N 306.841 3.321 10 10 DGCE CC(C)N1[C@H]2CC[C@H]1CN(Cc1cc(Cl)ccc1O)CC2 245787353 VNGPONHPDDMMTM-HOTGVXAUSA-N 308.853 3.493 10 10 DGCE CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2F)cc1 248132757 QUULJRMYCQMJHW-DLBZAZTESA-N 312.388 3.312 10 10 DGCE CN[C@@H](C)CNC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C 261712464 KCUJIVSISHZTPO-NSHDSACASA-N 319.836 3.085 10 10 DGCE CN(CCC(F)(F)C(F)(F)F)c1ccc(CN)cc1F 2166708196 YPHRYMGASCSUMP-UHFFFAOYSA-N 300.246 3.308 10 10 DGCE CCOC(=O)c1csc(CN(CC)c2ccc(OC)cc2)n1 292478435 AIHWSSKDRKPLAF-UHFFFAOYSA-N 320.414 3.355 10 10 DGCE Cc1ccn([C@@H](C)CC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1 832437106 XDEHZOYEBIKRGY-GJZGRUSLSA-N 314.433 3.086 10 10 DGCE CCCc1cccc([C@H](CC(=O)O)NC(=O)OC(C)(C)C)c1O 687753730 WBDNRXLJQABEKV-ZDUSSCGKSA-N 323.389 3.385 10 10 DGCE C[C@H](CNCc1ccc(N2CCOCC2)c(F)c1)CC(F)F 842727180 DQVLTGYFZSEIGW-LBPRGKRZSA-N 316.367 3.043 10 10 DGCE C[C@@H](NC(=O)NCC[C@@H]1CC1(F)F)c1ccc(N(C)C)cc1 856847972 AANVTZLNCYWQAO-DGCLKSJQSA-N 311.376 3.158 10 10 DGCE CO[C@H]1C[C@@H](CN[C@@H](C)c2cccc(C(F)(F)F)c2O)C1 858592480 DBIZOTGPKFOGEA-GARJFASQSA-N 303.324 3.487 10 10 DGCE O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CC12CCCC2 758840819 OWWKWQUPDJDBKQ-QGZVFWFLSA-N 311.429 3.195 10 10 DGCE CC(=O)NCc1ccc(CN[C@H](C)c2ccc(F)cc2O)cc1 850484511 KKDBRYZTWGXALV-GFCCVEGCSA-N 316.376 3.018 10 10 DGCE C[C@H](NC(=O)N[C@@H]1C[C@@]1(F)c1ccccc1)c1ccccc1O 868725797 PHNSGVLNJHYQML-BJOOFOGMSA-N 314.360 3.390 10 10 DGCE O=[N+]([O-])c1ccc(O)c(CNCC2([C@H]3CCCCO3)CCC2)c1 865726895 UNDVYCYSRORYJU-MRXNPFEDSA-N 320.389 3.129 10 10 DGCE Cc1nc(C(=O)Nc2c(Cl)ccc3nonc23)sc1C 1117507257 FKYFIWVYYSZTAD-UHFFFAOYSA-N 308.750 3.202 10 10 DGCE Cc1cc(Cl)cc([C@H](C)NCCC[C@@H]2CCOC2=O)c1O 872111279 CAXZNUJAUDJVSI-NWDGAFQWSA-N 311.809 3.348 10 10 DGCE CS[C@H]1CC[C@H]1NCc1ccc(Br)cc1O 702014339 FENQGUGQBXYQPW-PWSUYJOCSA-N 302.237 3.138 10 10 DGCE C[C@@H](N)c1ccc(N2CC[C@@H](CF)C2)c(Br)c1 711513676 ODKWHVIFNPXLSS-ZJUUUORDSA-N 301.203 3.265 10 10 DGCE NCc1ccc(N2C[C@H]3C[C@@H](CN(Cc4ccccc4)C3)C2)cc1 719378190 JRPAXYNPAVHUDX-PMACEKPBSA-N 321.468 3.104 10 10 DGCE C[C@H]1CN(c2ccc(CN)c(C(F)(F)F)c2)C[C@@H](C)S1 70381620 BLIYONUQJXKUGC-AOOOYVTPSA-N 304.381 3.494 10 10 DGCE CCN[C@@]1(C(=O)OCC)CCC[C@H](Sc2nccs2)C1 93778681 AWJVCMKIWAIKFZ-FZMZJTMJSA-N 314.476 3.089 10 10 DGCE C[C@H](C(=O)NCc1c(O)cccc1O)c1cn(C)c2ccccc12 1304053480 LWCFFCLPCAXNBZ-LBPRGKRZSA-N 324.380 3.009 10 10 DGCE C[C@H](Oc1ccc(F)cc1)C(=O)NCc1cc(Cl)ccc1O 1165497867 IVSMVLRWKHGDJQ-JTQLQIEISA-N 323.751 3.268 10 10 DGCE CCN(C(=O)OC(C)(C)C)[C@H](C)CNCc1ccc(C)cc1O 1659077457 WYYYWBWSKMCWMG-CQSZACIVSA-N 322.449 3.436 10 10 DGCE O=C(CSc1ccc(O)cc1)NCc1cccc(Cl)c1O 1180410474 QKOAVERLGGFUBT-UHFFFAOYSA-N 323.801 3.160 10 10 DGCE C[C@@H](C(=O)O)N(Cc1ccccc1)[C@@H](C)c1ccc(O)cc1O 1902365977 MKECIDYUMVXMGR-STQMWFEESA-N 315.369 3.134 10 10 DGCE Cc1ncc(NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)cn1 1353926705 UPRYMQGEJVMXTC-UHFFFAOYSA-N 320.396 3.374 10 10 DGCE C[C@@H](N)c1ccc(N2CC3(C2)CC3(F)F)c(Br)c1 1914968368 MNIXHDJIKFBEEL-MRVPVSSYSA-N 317.177 3.314 10 10 DGCE Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1cccc(O)c1O 1441480416 KCYXOPYLMCVPBB-ZDUSSCGKSA-N 315.369 3.443 10 10 DGCE Cc1ccncc1/C=C/C(=O)N1CCOc2c1ccc(F)c2F 1528833865 YOIXMAGCBWQUSW-GORDUTHDSA-N 316.307 3.107 10 10 DGCE O=C(Nc1c(F)cccc1NC1CC1)c1cccc(O)c1O 1465621247 ABDSPUBTXARRLC-UHFFFAOYSA-N 302.305 3.064 10 10 DGCE CCOc1ccc(C(=O)NCc2c(O)ccc3ccccc23)cn1 1472086068 KMJTTXAQQAKSBX-UHFFFAOYSA-N 322.364 3.269 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)NCc2cscc2Cl)cc1 1638457194 RSTOPVAYVHAQHQ-UHFFFAOYSA-N 322.777 3.494 10 10 DGCE O=C(NCc1c(O)cccc1O)c1cc2c(s1)CCCCC2 1647177499 BKVZMUWWIYCLIW-UHFFFAOYSA-N 317.410 3.358 10 10 DGCE C[C@@H](NC(=O)c1ncc2ccccc2c1O)c1ccccc1O 1643738605 IXOWPQMACWIBBI-LLVKDONJSA-N 308.337 3.137 10 10 DGCE Cc1cc2nc(NCc3c(O)cccc3O)c3ccccc3n2n1 1652267233 KUXZYOZYPWPZAB-UHFFFAOYSA-N 320.352 3.214 10 10 DGCE C[C@@H]1CN(CCCN=[N+]=[N-])C[C@@H](C)C1NC(=O)OC(C)(C)C 1962304474 NBCFWAGRKZRNAX-VXGBXAGGSA-N 311.430 3.168 10 10 DGCE O=C(c1ccco1)N1CCN(/N=N/c2ccc(F)cc2F)CC1 1860488658 ZCYPQZQHRNPXET-VHEBQXMUSA-N 320.299 3.015 10 10 DGCE CN(C)c1ccc2c(c1)CN(C(=O)CC1CCCCC1)CCO2 827967906 ONBCRBDIEUDWBC-UHFFFAOYSA-N 316.445 3.444 10 10 DGCE COc1ccc(C(=O)N(c2ccc(N)cc2)C2CC2)cc1OC 1857926919 IVGJJXCCAVROMJ-UHFFFAOYSA-N 312.369 3.095 10 10 DGCE Cc1nc(N(C)Cc2ccccc2O)c(Br)cc1N 1877539605 XKWIUONCLXGXSX-UHFFFAOYSA-N 322.206 3.077 10 10 DGCE CNCc1ccc(N2CCCSC[C@H]2C(F)(F)F)cc1 2143599878 RORIPIGUVJZKEM-ZDUSSCGKSA-N 304.381 3.280 10 10 DGCE [N-]=[N+]=NCc1cc([N+](=O)[O-])ccc1I 1951351261 WKRVELGIKRPMJZ-UHFFFAOYSA-N 304.047 3.010 10 10 DGCE Cc1ccc(O)c(CN[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1 151324739 BHNNHJQUKIIAGJ-VQIMIIECSA-N 310.441 3.453 10 10 DGCE Cc1cccc(O)c1CN[C@@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1 1976875093 DKTWMTALBDYHTG-UONOGXRCSA-N 320.433 3.188 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H]2CN(CCCN=[N+]=[N-])CC[C@@H]21 1982241700 INMJSRHYDCEAGG-KBPBESRZSA-N 323.441 3.408 10 10 DGCE C[C@H](F)[C@@H]1CCCN1c1ccc(CN)cc1Br 2010590221 HLTSLPUPGGMOER-CABZTGNLSA-N 301.203 3.235 10 10 DGCE Oc1cccc(Br)c1CN[C@@H](CF)C(F)(F)F 2012909283 SLNADWFJDMLDJO-VIFPVBQESA-N 316.092 3.145 10 10 DGCE O=C(O)C=Cc1ccc(N2CC3CC2C3)cc1Br 2034317797 KKNFTEBGISYSBT-UHFFFAOYSA-N 308.175 3.146 10 10 DGCE CC[C@@H](NCCc1c[nH]cn1)c1cc(Br)ccc1O 87538076 AQBCXTXJOWJEKD-CYBMUJFWSA-N 324.222 3.161 10 10 DGCE COc1ccc(O)c(Cn2nc(C3CC3)c(C3(C)CC3)c2N)c1 2079695574 ZMAUINMOMIWZQR-UHFFFAOYSA-N 313.401 3.157 10 10 DGCE CC1(c2nn(Cc3cccc(F)c3O)c(N)c2C(F)F)CC1 2079718183 PEYZXKCMWWOXJK-UHFFFAOYSA-N 311.307 3.347 10 10 DGCE C[C@H](N)c1ccc(N2C[C@@H]3C[C@@H]3[C@H]3C[C@H]32)cc1Br 2053731503 WKYOMPVZTNEWKI-WLGFQKAXSA-N 307.235 3.313 10 10 DGCE CN[C@H](c1ccc(N(C)C)cc1)c1ccc(Br)cn1 2100907911 WFNMDHDXDXMUCT-OAHLLOKOSA-N 320.234 3.219 10 10 DGCE OCc1ccc(N2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)cc1 2213939056 MLQHZSIICZOTOC-OYRHEFFESA-N 322.452 3.422 10 10 DGCE CSc1cc(N2CC=C(Br)CC2)ccc1CN 2308069990 LKJBYLIFCKLELD-UHFFFAOYSA-N 313.264 3.356 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)OCC(=O)C1CC1 109371574 ZUSFXGJIFUWVDR-UHFFFAOYSA-N 303.383 3.292 10 10 DGCE CC[C@@H](C)NC(=O)CN(c1ccc(OC)cc1)[C@@H](C)C1CC1 171937938 QYGFYRUEDSGUDW-KGLIPLIRSA-N 304.434 3.215 10 10 DGCE CCOC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 36100101 WRCVLMZRTJRDEP-KRWDZBQOSA-N 319.449 3.026 10 10 DGCE COc1ccc2c(c1)N[C@](C)(C(C)C)CN2CC1CCNCC1 75280952 PMJBUPRFPUXRSS-IBGZPJMESA-N 317.477 3.341 10 10 DGCE Oc1ccc(Cl)cc1CNc1ccc(-n2cncn2)cc1 37768774 HIKHZROQKYXTEK-UHFFFAOYSA-N 300.749 3.238 10 10 DGCE CCO[C@@H]1C[C@H](N[C@@H](C)c2cc(F)ccc2O)C12CCOCC2 186311150 ZFEVIATYQLSQJC-AFAVFJNCSA-N 323.408 3.156 10 10 DGCE Cc1cc([C@@H](C)NS(=O)(=O)Cc2ccc(N)cc2)c(C)s1 49504754 ZWJPYRPVVUBECK-LLVKDONJSA-N 324.471 3.128 10 10 DGCE CC(C)(C)[C@@H]1CCN(c2cc3c(cc2Cl)[C@@H](N)C(=O)N3)C1 228731575 IYYPUFFANXWSLZ-YMTOWFKASA-N 307.825 3.164 10 10 DGCE C[C@@H](NCCc1cn2ccccc2n1)c1ccc(F)c(F)c1O 191196586 FWWJENFFQZZTBP-LLVKDONJSA-N 317.339 3.211 10 10 DGCE CCN(CC)c1ccc(CNC(=O)Nc2c(C)n[nH]c2C)cc1 193412422 HJXSVHRRNOSTRR-UHFFFAOYSA-N 315.421 3.194 10 10 DGCE O=C(CN1CC[C@@H](O)C1)Nc1ccc(N=Nc2ccccc2)cc1 254976431 ZDFACFZCRYLBCH-QGZVFWFLSA-N 324.384 3.107 10 10 DGCE C[C@H]1CC2(CCC2)CN1Cc1ccc(N2CCOCC2)cc1 375407994 ZUHIRGFHOPDMRY-INIZCTEOSA-N 300.446 3.288 10 10 DGCE COc1cc(O)c(CN2C[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2)cc1OC 294977914 GHYLNPJMMQMTLG-DARAHFNDSA-N 315.413 3.053 10 10 DGCE CC(C)(C)c1cc(O)c(O)c(CN2CC[C@H](OC(F)F)C2)c1 802747941 VNGMAAMKTINQPV-LBPRGKRZSA-N 315.360 3.209 10 10 DGCE Cc1ccc(O)c([C@H](C)N[C@H]2COc3ccc(F)cc3C2)c1 808729255 WIHVYWIQZLXETN-SWLSCSKDSA-N 301.361 3.494 10 10 DGCE C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)/C=C\c1ccc(O)c(O)c1 588404809 SRBCKDVDFHXUQJ-JFASWQKTSA-N 301.386 3.291 10 10 DGCE CC1(C)[C@H](C(=O)NCc2ccc(O)cc2O)[C@H]1c1ccccc1 910955882 IDIWYHZKMUQHJU-SJORKVTESA-N 311.381 3.154 10 10 DGCE CCO[C@@H]1C[C@@H](N[C@@H](CC)c2ccc(F)cc2O)[C@@H]1SC 842924857 UNRMCLRHGJXXJV-XNISGKROSA-N 313.438 3.481 10 10 DGCE CCc1cccc(F)c1CNC[C@H](N)c1ccc(N(C)C)cc1 841042041 JNOMCABHWXCSBL-IBGZPJMESA-N 315.436 3.244 10 10 DGCE C[C@H](NCCc1cnc(C2CC2)nc1)c1cc(F)ccc1O 756768677 FZYFXGYQBICMCX-NSHDSACASA-N 301.365 3.092 10 10 DGCE COc1ccc(C[C@H](C)C(=O)NCc2c(O)cccc2F)cc1 928704811 DJQHZMLFIOCILK-LBPRGKRZSA-N 317.360 3.035 10 10 DGCE O=C(NCc1cccc(OC2CC2)c1F)c1cc(O)cs1 855611553 QJKOTPDBMZLFHN-UHFFFAOYSA-N 307.346 3.064 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCC[C@@H]3C[C@H]32)cc1 855020048 FDDOXVOLFODBCC-ZTFGCOKTSA-N 316.445 3.026 10 10 DGCE C[C@@H](NC(=O)N[C@H]1C[C@@]1(F)c1ccccc1)c1ccccc1O 868725804 PHNSGVLNJHYQML-PZPSRYQVSA-N 314.360 3.390 10 10 DGCE C[C@@H](NC(=O)N[C@H](C1CCC1)[C@H]1CCCO1)c1ccccc1O 868988696 AZIIZEGSKZSRHV-CSMYWGQOSA-N 318.417 3.100 10 10 DGCE C[C@H](N[C@@H]1CCCN(C)C1)c1ccc(N2CCCCC2)cc1 765280501 LYORYBVPPPJCMY-FUHWJXTLSA-N 301.478 3.422 10 10 DGCE O=C(c1cccc(O)c1O)N1CCC[C@@](F)(c2ccccc2)C1 871371530 BVGGOIUDLGPYKL-SFHVURJKSA-N 315.344 3.199 10 10 DGCE Cc1cc(Br)c(O)c(CN[C@H](C)c2cn[nH]c2)c1 781636238 PPQQCZVJYNQXAS-SECBINFHSA-N 310.195 3.037 10 10 DGCE CN(Cc1ccccc1O)C(=O)C12CC(c3ccccc3)(C1)C2 790773587 ZPYKMCGWWPAICN-UHFFFAOYSA-N 307.393 3.473 10 10 DGCE NCc1ccc(N(CC(F)F)CC2CC2)cc1Br 688175384 OELNLWYWBQTFGZ-UHFFFAOYSA-N 319.193 3.389 10 10 DGCE Clc1cc(N2C[C@H]3CSC[C@@H]3C2)ccc1CNC1CC1 711606222 AHAKNABCAPMLSZ-STQMWFEESA-N 308.878 3.391 10 10 DGCE COCC(C)(C)CCNCc1cccc(Br)c1O 718761313 YGAVHYFOEDIMBQ-UHFFFAOYSA-N 316.239 3.307 10 10 DGCE CN(Cc1cc(Cl)cc(Cl)c1O)CC1CCNCC1 94010573 LTCGMLWDEKPYQZ-UHFFFAOYSA-N 303.233 3.130 10 10 DGCE C[C@H](NC(=O)Cc1cccc2cnccc12)c1ccccc1O 1151900066 KOTDFJNSHBGYCO-ZDUSSCGKSA-N 306.365 3.360 10 10 DGCE C/C(=C\C(=O)NCc1cc(O)ccc1O)c1ccccc1Cl 1153879576 QOKSJNFUVOZYSZ-DHZHZOJOSA-N 317.772 3.471 10 10 DGCE CC[C@@H]1C[C@H]1CN(CC(=O)OC)Cc1cc(Cl)ccc1O 1167741289 SIGYSJSCXUJUTH-NEPJUHHUSA-N 311.809 3.067 10 10 DGCE CCNCc1ccc(N2C[C@@H]3C[C@@H]3[C@H]3C[C@@H]32)cc1Br 2117424272 PEYAKVYJWZNKCK-ZIEJDFEHSA-N 321.262 3.403 10 10 DGCE CN(CCC(F)(F)F)C(=O)c1cc2cc(O)c(O)cc2s1 1331578044 BRXPDFTVCAGXRY-UHFFFAOYSA-N 319.304 3.337 10 10 DGCE CCCC(=O)N[C@@H](CNCc1ccc(OC)c(C)c1)C(C)(C)C 1284561663 DEHQMXNCGJRXDQ-KRWDZBQOSA-N 320.477 3.424 10 10 DGCE C=CC(=O)Nc1cccc(C(=O)N[C@H](C)c2ccccc2O)c1 1471195072 AWCFZFDBPSVLBO-GFCCVEGCSA-N 310.353 3.008 10 10 DGCE Cc1cccc(N2NC(=O)/C(=C\c3ccc(Cl)cc3)C2=O)c1 472946 AVLPCGVZDHUZLE-XNTDXEJSSA-N 312.756 3.110 10 10 DGCE Oc1cccc(F)c1CNc1nnc(-c2ccccn2)s1 1559285020 ZZDVBAIONNINJL-UHFFFAOYSA-N 302.334 3.057 10 10 DGCE O=C(c1ncc(Cl)cc1Cl)N1Cc2cccc(O)c2C1 1558035010 CJNGMPOXRBLYTP-UHFFFAOYSA-N 309.152 3.250 10 10 DGCE Cc1ccc2occ(CC(=O)NCc3ccc(O)cc3O)c2c1 1557085153 CPHRQSBUGFKDCP-UHFFFAOYSA-N 311.337 3.011 10 10 DGCE O=C(NCc1cccc(Cl)c1O)c1ncc(Cl)s1 1648609101 RMFRVYSAXIKJPB-UHFFFAOYSA-N 303.170 3.086 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccsc2)cc1 1648799172 IJZJTSJKBGTOKX-QWHCGFSZSA-N 314.370 3.196 10 10 DGCE CCCCOC(=O)[C@H](C)N1CCCc2cc(OC)cc(OC)c21 1654741697 MWKQJLLUOZHJNY-ZDUSSCGKSA-N 321.417 3.188 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N[C@H](c2ccccn2)C2CC2)cc1 1597065502 LQZRTEPULDUSTN-HNNXBMFYSA-N 323.356 3.125 10 10 DGCE COc1cc(C)cc(CN(C)CCc2ncc(C)s2)c1O 165185974 BGBXDKNDKTVKEV-UHFFFAOYSA-N 306.431 3.149 10 10 DGCE CCC1=NN(CC(C)C)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1 1865677079 VIKOTPWITRGZRY-NTEUORMPSA-N 301.346 3.242 10 10 DGCE C[C@H](CNCc1ccc(N(C)C)cc1)N(C)Cc1ccccc1 237543082 GGWNZABEWNXYCJ-QGZVFWFLSA-N 311.473 3.363 10 10 DGCE CO[C@H]1[C@H](NCc2cc(Br)ccc2O)CC1(C)C 1974252511 LPAWMYRFKCJCLI-YPMHNXCESA-N 314.223 3.058 10 10 DGCE CC(C)(C)OC(=O)NCC1(F)CC([C@@H](N)c2ccccc2O)C1 1976973721 UYOFFJKZLGHMEP-CHHLVHLRSA-N 324.396 3.035 10 10 DGCE CCN(c1ccc(N)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1977977373 BCXJVRMVEBGLJT-INIZCTEOSA-N 319.449 3.495 10 10 DGCE CC[C@H](C[C@H](N)c1ccc(N(C)C)cc1)NC(=O)OC(C)(C)C 1977945197 MFDCHAWRTRMNJT-ZBFHGGJFSA-N 321.465 3.446 10 10 DGCE C[C@@H]1C[C@@H](NCc2ccccc2O)CN(Cc2ccccc2)C1 1986366063 QBRNRXQJBCDGNM-VQIMIIECSA-N 310.441 3.392 10 10 DGCE C[C@H](N)c1cc(F)c(N(Cc2ccccc2)C2COC2)c(F)c1 1990444299 MVFOSFLTCRCXQI-LBPRGKRZSA-N 318.367 3.390 10 10 DGCE Cc1cc(Br)ccc1C(=O)NCc1ccc(N)cc1 37666336 KRGVBAUEBNGWMF-UHFFFAOYSA-N 319.202 3.270 10 10 DGCE Cc1ccc(S(=O)(=O)N(C)[C@@H](C)c2ccccc2O)s1 38089870 KWJDZGRUQZFMLH-NSHDSACASA-N 311.428 3.144 10 10 DGCE Oc1ccc(Br)cc1CN[C@H]1C[C@@H]1C(F)(F)F 1998614435 LMSWSUGAJBAAAY-IUCAKERBSA-N 310.113 3.195 10 10 DGCE CN(Cc1cc(Cl)cc(Cl)c1O)C1C[C@@H]2CC[C@H](C1)N2 40746581 MKEKQAXECZUKIR-FUNVUKJBSA-N 315.244 3.414 10 10 DGCE Nc1ccc2c(ccn2C[C@]2(Br)CC2(F)F)c1 2023787178 ZMJQUUPCHODRKO-LLVKDONJSA-N 301.134 3.396 10 10 DGCE CC(C)[C@@H]1C[C@H](N(C)c2cc(Cl)c(CN)cc2F)CO1 2177382474 AOOCBNQCLFVTOU-NHYWBVRUSA-N 300.805 3.188 10 10 DGCE C[C@H](O)c1ccc(N(C)Cc2cnco2)cc1Br 2043640709 UVXLBHWYHXQJIV-VIFPVBQESA-N 311.179 3.127 10 10 DGCE CC[C@@H](O)CN(CC)c1ccc([C@@H](C)O)cc1Br 2044542997 DXNBQDDBLGWRHT-ZYHUDNBSSA-N 316.239 3.100 10 10 DGCE CO[C@H](C)CCN(C)c1ccc([C@@H](C)O)cc1Br 2059358919 JBHFPZLSFMKZTM-GHMZBOCLSA-N 316.239 3.364 10 10 DGCE CNCc1ccc(N(C)C[C@H]2C[C@@H]2CF)c(Br)c1 2071384702 WZVHBBLGIPKJNW-VXGBXAGGSA-N 315.230 3.210 10 10 DGCE CC(F)(F)C[C@H](CO)NCc1cc(Cl)cc(Cl)c1O 2113229045 SSJOVNADPVROPX-SECBINFHSA-N 314.159 3.195 10 10 DGCE CN=c1[nH]c(NCc2cccc(C)c2O)c(Cl)cc1Cl 2204628859 BRDCSCUFIROJSZ-UHFFFAOYSA-N 312.200 3.478 10 10 DGCE CSc1ncc(CN[C@H]2CCO[C@@]3(CCSC3)C2)s1 2208656318 RYGJKIOWUWHOJH-GWCFXTLKSA-N 316.517 3.009 10 10 DGCE CN(CCCN=[N+]=[N-])C(=O)c1c(Cl)ccc(Cl)c1N 2271325829 VCWYIIQASAUMHN-UHFFFAOYSA-N 302.165 3.348 10 10 DGCE CSc1ncc(CNc2ncc(Cl)cc2[N+](=O)[O-])s1 2269100408 RNMYNLLUEPCIDW-UHFFFAOYSA-N 316.795 3.434 10 10 DGCE Cc1cc(C=CC(=O)N2CCC[C@@H]2CO)c(C)n1-c1ccccc1 2304489194 GKECRJALWJDJJH-LJQANCHMSA-N 324.424 3.091 10 10 DGCE O=C(C=CSc1ccccc1)NCCc1ccc(O)c(O)c1 2305628438 PZHQZMQHUJNKAL-UHFFFAOYSA-N 315.394 3.063 10 10 DGCE CC1=NN(c2ccccc2C)C(=O)/C1=C\Nc1ccc(O)cc1 104059144 WWVOHJYENBGNBH-WJDWOHSUSA-N 307.353 3.419 10 10 DGCE Cc1csc([C@@H]2CN(Cc3cccc(C)c3O)CCO2)n1 179974826 HTSGMZDAKMTGBC-AWEZNQCLSA-N 304.415 3.039 10 10 DGCE COc1cc(OC)c(NCc2ccc(O)cc2O)cc1Cl 21813916 YGJJGROBQHNJQP-UHFFFAOYSA-N 309.749 3.381 10 10 DGCE O=C1c2ccc(Br)cc2C(=O)c2ccc(F)cc21 34784618 XENBUILKTGDZNX-UHFFFAOYSA-N 305.102 3.364 10 10 DGCE C[C@H](NCCOc1ccc(C#N)cc1)c1ccc(F)c(F)c1O 187789709 ZEPSKKGZHRNOPH-NSHDSACASA-N 318.323 3.272 10 10 DGCE CN(C)c1ccc(CNCc2cccc(Br)n2)cc1 131024737 CXHMCIJHKCXLLD-UHFFFAOYSA-N 320.234 3.200 10 10 DGCE Oc1cccc2c1[C@H](NC1CCN(c3ccccn3)CC1)CC2 323975916 ILXFEQPWZHGDFE-MRXNPFEDSA-N 309.413 3.033 10 10 DGCE Cc1ccc(O)c(CN[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)c1 227629825 QLUIJVBWPZPXDQ-HUUCEWRRSA-N 320.433 3.236 10 10 DGCE CCN[C@H](C)c1ccc(N2C[C@@H]3CC[C@H](O)[C@H]3C2)cc1Cl 252843311 BHBGUHZNVDXRMP-LMMLAZSQSA-N 308.853 3.218 10 10 DGCE CC[C@@H](NC[C@H]1CCN1C(=O)OC(C)(C)C)c1ccccc1O 724913500 LLXRXKHJTQIFHG-UKRRQHHQSA-N 320.433 3.442 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@@H](CO)c2ccsc2)cc1 835045862 DXTJIUVDJCYQKE-IDOMTICXSA-N 302.443 3.151 10 10 DGCE CC(C)[C@@H]1N(C(=O)/C=C/c2ccc(O)c(O)c2)CC12CC=CC2 844094861 DHWPXMLTSHTROC-IWHGQQBYSA-N 313.397 3.314 10 10 DGCE COc1cc(CNc2cncc(OC)n2)c(O)c(C(C)(C)C)c1 849346895 HHTGUPMZXHBNMS-UHFFFAOYSA-N 317.389 3.109 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1CC[C@H]1C 840372443 DOHWWRUTSODRJI-IFIJOSMWSA-N 303.450 3.090 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]([C@@](C)(N)c2ccccc2O)C1 1897793795 UPUITSHYCRXQEH-VEVIJQCQSA-N 320.433 3.260 10 10 DGCE COc1cc(CN[C@H]2CCOC[C@H]2C)c(O)c(C(C)(C)C)c1 850279273 WUKLVYYTYQXPGH-WBMJQRKESA-N 307.434 3.213 10 10 DGCE CCOc1cccc(CNC(=O)N[C@@H](C)c2ccccc2O)c1 868056491 IESAJDUJBLZOKL-ZDUSSCGKSA-N 314.385 3.351 10 10 DGCE CN(C)c1ccc(CNC(=O)C2([C@H]3CCCCO3)CCC2)cc1 864573145 HAPBJRKXVFNVJE-QGZVFWFLSA-N 316.445 3.108 10 10 DGCE C[C@H](NC(=S)NCc1ccccc1)c1ccc(N(C)C)cc1 774259153 VZVIKIFPZUATEJ-AWEZNQCLSA-N 313.470 3.478 10 10 DGCE CC[C@@H](NCCC[C@@H]1CCOC1=O)c1cc(Cl)ccc1O 872112893 LQJFAVNQJDQHGC-BXUZGUMPSA-N 311.809 3.430 10 10 DGCE CNCc1cc(F)c(N(C)[C@@H]2CC[C@@H](SC)C2)c(F)c1 708299823 DNJIKCCOTNUUCQ-VXGBXAGGSA-N 300.418 3.405 10 10 DGCE C/C(=C\C(=O)N(C)c1nsc2ccccc12)c1cnccn1 1278800037 BLKQVEKNGHUESR-PKNBQFBNSA-N 310.382 3.153 10 10 DGCE CN(C)c1ccc(CNC(=O)[C@@H]2C[C@]2(C)c2ccccc2)cc1 1353505476 ZZFLLTOEWPRSRW-AZUAARDMSA-N 308.425 3.347 10 10 DGCE Cn1cnc(/C=C\C(=O)N2CC(C)(C)c3c(Cl)cccc32)c1 1361013715 SVFTZSABLPKLEZ-FPLPWBNLSA-N 315.804 3.411 10 10 DGCE OCc1ccc(N2CC[C@H]2C(F)(F)F)cc1Br 1916188218 HIJMBKUNWLKLPP-JTQLQIEISA-N 310.113 3.082 10 10 DGCE COc1ccc2c(c1)C[C@@H](CN(C)c1ccc(OC)c(F)c1)O2 1459719663 WHCXYBIBPANGLJ-HNNXBMFYSA-N 317.360 3.283 10 10 DGCE CN(C)c1ccc(CN(CC[C@@H]2COC(C)(C)O2)C2CC2)cc1 1473114797 HQCZPBNQGXJHLT-GOSISDBHSA-N 318.461 3.259 10 10 DGCE Cc1ccc(C(=O)NCc2cc(O)ccc2O)c(F)c1Cl 1471661937 HTNUGFDDRMMZFC-UHFFFAOYSA-N 309.724 3.129 10 10 DGCE COc1ccc(N(C)C[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1F 1473251860 XWPDCSPFWKBXER-GWCFXTLKSA-N 307.287 3.380 10 10 DGCE CCC(C)(C)C(=O)N[C@@H](C)[C@@H](C)NCc1ccc(OC)c(C)c1 1485185862 AASRBNPYJUGJDM-CABCVRRESA-N 320.477 3.423 10 10 DGCE CCCN(C[C@H](NC)c1ccccc1O)C(=O)OC(C)(C)C 1928471042 SSVIMCXXJPQTEW-AWEZNQCLSA-N 308.422 3.300 10 10 DGCE C[C@H](Oc1ccccc1F)C(=O)N[C@H](C)c1ccccc1O 1635793866 LNWORMDUIQYZPY-NEPJUHHUSA-N 303.333 3.176 10 10 DGCE CN(C)c1ccc(Cn2nccc2NC(=O)C[C@H]2C=CCC2)cc1 154171420 GREPELPOQFZYES-HNNXBMFYSA-N 324.428 3.292 10 10 DGCE CN[C@H](c1ccccc1O)[C@H]1CC[C@@H]1CNC(=O)OC(C)(C)C 1940089055 YOFXPGDYJZMFGC-WWGRRREGSA-N 320.433 3.204 10 10 DGCE Nc1ccc(OCC[S@@](=O)Cc2ccccc2Cl)cc1 236374496 XLBWJVBHCJWRIQ-HXUWFJFHSA-N 309.818 3.250 10 10 DGCE CN(Cc1ccccc1O)c1ccc(CO)cc1Br 1877517104 DJYWUQXACKQOIG-UHFFFAOYSA-N 322.202 3.283 10 10 DGCE Cn1nc(CNCc2cc(F)cc(F)c2O)c(Cl)c1Cl 2150750499 SYQIUZNHOCKMAQ-UHFFFAOYSA-N 322.142 3.001 10 10 DGCE C[C@@H](NCc1ccccc1O)c1ccnn1Cc1ccccc1 1994376614 ATBNNWIFFUAKBV-OAHLLOKOSA-N 307.397 3.488 10 10 DGCE NC[C@@H]1CCCCN(Cc2cc(Cl)cc(Cl)c2O)C1 311939117 HMOMPIBISHEPLJ-JTQLQIEISA-N 303.233 3.260 10 10 DGCE C[C@H](O)c1ccc(N2C[C@@H]3[C@@H](C2)C3(F)F)c(Br)c1 715526246 UITKAPCMJJUGDO-FXBDTBDDSA-N 318.161 3.204 10 10 DGCE CN(Cc1cncs1)c1ccc(CN)c(C(F)(F)F)c1 400018843 JVOYKFHKTRJTMO-UHFFFAOYSA-N 301.337 3.257 10 10 DGCE CCOC(=O)c1c[nH]nc1Sc1ncc(C(F)(F)F)s1 2174657882 POUGNYHQWZNMOA-UHFFFAOYSA-N 323.321 3.213 10 10 DGCE C[C@@H](NC(C(F)(F)F)C(F)(F)F)c1c(O)cccc1O 2183913336 UNLGJVXNCIVWNB-RXMQYKEDSA-N 303.202 3.242 10 10 DGCE C[C@H](NC[C@@]1(Br)CC1(F)F)c1ccc(F)cc1O 2082488756 HFELTLFDPCSQTR-CPCISQLKSA-N 324.140 3.355 10 10 DGCE CN1CCCc2cc([C@H](N)c3ccc(Br)o3)ccc21 2106848047 CJPDMTVAPNWZBD-HNNXBMFYSA-N 321.218 3.473 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NC(=O)c1nc(Cl)sc1Cl 2218740115 XRPRWNNDHKUTJR-CRCLSJGQSA-N 306.178 3.411 10 10 DGCE Cc1cc(C=C2SC(=S)NC2=O)cc(C)c1OC(F)F 2294523399 PEJAQBXSGOJLFQ-UHFFFAOYSA-N 315.366 3.394 10 10 DGCE Nc1ccc(CS(=O)(=O)C[C@@H]2CCCCC2(F)F)cc1 2283106460 GWNHZJPONRVCRS-LBPRGKRZSA-N 303.374 3.009 10 10 DGCE CCN[C@@H](C)c1cnc(SC[C@@]2(OCC)CCOC2)s1 2287073323 TZBAGQAPHYLPNQ-SMDDNHRTSA-N 316.492 3.101 10 10 DGCE CC[C@@H](C)[C@@H](C)NC(=O)C=Cc1ccc(N2CCOCC2)cc1 2297505354 IKXOIMXYPWJIPK-HZPDHXFCSA-N 316.445 3.087 10 10 DGCE Cc1cncc(C=CC(=O)N2CCc3c(F)cc(F)cc32)c1 2302360313 RXLDTKBEZWCPKH-UHFFFAOYSA-N 300.308 3.271 10 10 DGCE CN(Cc1ccccc1O)C(=O)c1cnc(Cl)c(Cl)c1 38106073 FWDHFUBOJJRYLX-UHFFFAOYSA-N 311.168 3.366 10 10 DGCE O=C(O)c1nc2ccc(F)cn2c1N=Nc1ccccc1O 2320770311 BTFATPSAHQLICG-UHFFFAOYSA-N 300.249 3.293 10 10 DGCE Cc1ccc(CN[C@@H]2CSC[C@@H]2C)c(O)c1Br 2307478328 WWUTVIZQUOHDIX-GXSJLCMTSA-N 316.264 3.304 10 10 DGCE Cc1ccc(CN2CCS[C@@H](C)C2)c(O)c1Br 2307565090 IWSHYSOBNULAIR-JTQLQIEISA-N 316.264 3.400 10 10 DGCE COc1ccc(C2=NN(C)C(=O)C2=Cc2ccc(C)cc2)cc1 2332104956 IOPAHVLJSQFLSB-UHFFFAOYSA-N 306.365 3.263 10 10 DGCE COCCN(Cc1ccc(C)c(Br)c1O)C1CC1 2327604340 WYNQUYKVGKPQLT-UHFFFAOYSA-N 314.223 3.074 10 10 DGCE Cc1cnc(N(C)Cc2ccc(C)c(Br)c2O)nc1 2352638201 OMSLVWXULVNYFO-UHFFFAOYSA-N 322.206 3.198 10 10 DGCE Cn1cccc1[C@@H]1CCCCN1Cc1cc([N+](=O)[O-])ccc1O 175139887 WCWHEQBGMGBVQY-INIZCTEOSA-N 315.373 3.366 10 10 DGCE Nc1ccc(CCC(=O)NCCc2cccc(Cl)c2)cc1 20186684 GOPSBACQARKSDN-UHFFFAOYSA-N 302.805 3.214 10 10 DGCE CCN(Cc1ccccc1)c1ccc(CN2CCNCC2)cc1 76535411 IQVRRADCKXVAAU-UHFFFAOYSA-N 309.457 3.118 10 10 DGCE C[C@@H](CCN[C@@H](C)c1cc(O)ccc1O)NC(=O)OC(C)(C)C 227670853 MCRMEFHXKAOSLT-RYUDHWBXSA-N 324.421 3.052 10 10 DGCE CCOCCN(C)c1ccc([C@@H](C)NC)c(Br)c1 233717850 FJXOUQHSNPSCBY-LLVKDONJSA-N 315.255 3.202 10 10 DGCE C[C@H]1CN2CCC[C@H]2CN1Cc1cc(C(C)(C)C)cc(O)c1O 246993946 IBHIDJAIQMAYEV-BBRMVZONSA-N 318.461 3.064 10 10 DGCE COc1cccc(CN2CCC[C@@H]2C[C@@H](O)c2ccco2)c1O 246796142 QQEDAJIBORUFLU-HUUCEWRRSA-N 317.385 3.082 10 10 DGCE COCCNCc1ccc(N2CCS[C@@H](C)[C@H]2C)c(C)c1 253060869 DMOWFWXSMQROTB-CABCVRRESA-N 308.491 3.061 10 10 DGCE Cc1ccc(O)c(CN2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c1 809771731 NTVNBNIVGFKEAV-ZFWWWQNUSA-N 320.433 3.188 10 10 DGCE CCCCN(CC(=O)NC1CCCCC1)Cc1ccccc1O 801595633 GRKTUCCUOHAQIR-UHFFFAOYSA-N 318.461 3.443 10 10 DGCE O=C1CCN(Cc2cccc(Cl)c2O)c2ccccc2N1 811508392 OFPCCEXXHZZDPR-UHFFFAOYSA-N 302.761 3.394 10 10 DGCE CC[C@H]1CCCN1c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] 727826166 AUIOZWHPSBKBMQ-JWJUJFCLSA-N 304.346 3.160 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CC[C@@H](OC)C2)cc1 819974532 NTEKFEFXEPWFKB-SJLPKXTDSA-N 318.461 3.306 10 10 DGCE C[C@@]12COC[C@H]1CN(Cc1cc(Cl)cc(Cl)c1O)C2 827284699 VMMCUPDCULMQCR-QMTHXVAHSA-N 302.201 3.167 10 10 DGCE Cc1cc(C(=O)CN2[C@@H](C)C[C@@H]2C)c(C)n1-c1ccc(F)cn1 829335278 DWWRWJRUOVTJBN-RYUDHWBXSA-N 315.392 3.294 10 10 DGCE CCCN(C)CC(C)(C)NCc1cc(Cl)cc(F)c1O 827722623 PBDCCWYMABBCGS-UHFFFAOYSA-N 302.821 3.395 10 10 DGCE Cc1ccc(/C=C/C(=O)N(CC(F)(F)F)c2ccccn2)cn1 492473806 NMHHIWZLZARBAB-BQYQJAHWSA-N 321.302 3.394 10 10 DGCE CN[C@H](C)c1ccc(N2CCO[C@@H](CCF)C2)cc1Cl 700575400 PSSROCQOYHIMRI-YPMHNXCESA-N 300.805 3.185 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)c2ncccc2SC)c1 845834017 PLAFTDZHWJFELM-JTQLQIEISA-N 318.398 3.009 10 10 DGCE OC1CCN(c2ccc(CNCC3CCC=CCC3)cc2)CC1 922966025 HSCSZOGJDFAKPK-UHFFFAOYSA-N 314.473 3.484 10 10 DGCE O=C(N[C@H]1[C@@H]2c3ccc(Cl)cc3C[C@H]21)c1cc(O)cs1 862530759 SJAGVMVKZUSPOL-MRVWCRGKSA-N 305.786 3.175 10 10 DGCE CCOc1ccc(O)c(CN2CCc3cc(F)ccc3C2)c1 779598372 HCDBJBZJQYMWKW-UHFFFAOYSA-N 301.361 3.488 10 10 DGCE COc1ccc2c(c1)NC1(CCCCCC1)CN2CCCO 76931242 ZJCDTCRDMXLMMV-UHFFFAOYSA-N 304.434 3.403 10 10 DGCE Fc1ccc(CCN2CCNc3cc4c(cc32)OCO4)cc1 76971747 AIRLXSSEWWVGSI-UHFFFAOYSA-N 300.333 3.029 10 10 DGCE C[C@H](NCCCOCc1ccccc1)c1cc(O)ccc1O 390093163 KPEGGAWHVWCLDD-AWEZNQCLSA-N 301.386 3.355 10 10 DGCE COc1cc(Cl)cc(CN2CCCCC[C@@H]2CCO)c1O 793608061 HMZPOQSOIRYUNT-CQSZACIVSA-N 313.825 3.181 10 10 DGCE [N-]=[N+]=NCCCNC(=O)CCSc1ccc(F)c(F)c1 701318234 CDFOBJLYEVZGCA-UHFFFAOYSA-N 300.334 3.264 10 10 DGCE CO[C@@H]1CCC[C@@H]1N(C)Cc1ccc(Br)cc1O 687460621 OGBPPWLYCJVZQQ-GXTWGEPZSA-N 314.223 3.154 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N[C@@H]2C[C@@H]2Cc2ccccc2)cc1 1147114084 VYNNEUJAHYSWCP-GOEBONIOSA-N 322.368 3.210 10 10 DGCE CC1(F)CCN(Cc2ccc(Br)cc2O)CC1 1462479541 YSEZZCUVWVEHQN-UHFFFAOYSA-N 302.187 3.479 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@@H](C)[C@H]1C 1312883411 CSFTWNQSEFTRLL-VNQPRFMTSA-N 317.477 3.432 10 10 DGCE Cn1c(C(=O)N2CCC(CN=[N+]=[N-])CC2)cc(Cl)c1Cl 1912196648 WWVYKPFDTOICRY-UHFFFAOYSA-N 316.192 3.494 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN(C(=O)c2ccnc(Br)c2)C1 1912149984 NTWYRIKIDQKYIM-VIFPVBQESA-N 324.182 3.007 10 10 DGCE CNCc1ccc(N(C)[C@H]2[C@H]3[C@H]4C[C@@H]2C[C@H]43)cc1Br 2134329918 MFEXSVRDYYIVKC-RSOJBWMYSA-N 321.262 3.259 10 10 DGCE O=C(Nc1ccc(CO)cc1)c1cc2cc(O)c(O)cc2s1 1452442938 VALFMVZIKMTASP-UHFFFAOYSA-N 315.350 3.057 10 10 DGCE Cc1ncccc1/C=C/C(=O)N(C)c1cccnc1N1CCCC1 1457362902 AYSMBGGJLSKGRJ-MDZDMXLPSA-N 322.412 3.061 10 10 DGCE C[C@@H](c1ccco1)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 1463938738 QTXBLGJYMXVNIX-JTQLQIEISA-N 300.318 3.275 10 10 DGCE Cc1cc2nc(Cl)cc(NCc3c(O)cccc3F)n2n1 1472883145 HNCVNNXNLPPCIH-UHFFFAOYSA-N 306.728 3.148 10 10 DGCE Cc1cccc(-n2c(C)cc(C(=O)Nc3ccc[n+]([O-])c3)c2C)c1 1470545755 MQSGOEPGFIBSKE-UHFFFAOYSA-N 321.380 3.288 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N2CC[C@H](c3ccccc3)C2)cc1 1542379623 TZPWTJZLVNHZLS-HNNXBMFYSA-N 322.368 3.479 10 10 DGCE Cc1cc(CC(=O)O)c(C)n1-c1ccc(Br)cc1 3630633 RKZFEYDWVDEQTM-UHFFFAOYSA-N 308.175 3.484 10 10 DGCE C[C@H]1Cc2ccccc2CN1C(=O)c1ccc(N=NC(N)=O)cc1 1620857489 OPDXZQRCKXBTCN-LBPRGKRZSA-N 322.368 3.436 10 10 DGCE Cc1c(Br)cncc1NC(=O)c1cc(O)cs1 1636223436 HZIJKCWUUNNLQF-UHFFFAOYSA-N 313.176 3.172 10 10 DGCE O=C(NCc1c(O)cccc1F)c1c[nH]cc1-c1ccccc1 1645048282 OCCVCJDAAGLFKI-UHFFFAOYSA-N 310.328 3.456 10 10 DGCE CC(C)C(=O)c1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1 1648780574 DRQXLEQVBVSEHM-UHFFFAOYSA-N 317.316 3.328 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCN(CCN=[N+]=[N-])C1 1962300068 PCEMMOQZSWMREB-STQMWFEESA-N 309.414 3.018 10 10 DGCE CCNCc1ccc(N(C)[C@@H]2CCOC2)cc1C(F)(F)F 160117897 ITGSQUSBFXOBMQ-CYBMUJFWSA-N 302.340 3.040 10 10 DGCE CSc1cccc(NC(=O)[C@H](C)Oc2ccc(N)cc2)c1 1860078316 MDIXEUSJYFNBNF-NSHDSACASA-N 302.399 3.397 10 10 DGCE Oc1cccc(Br)c1CNCCC1CC(F)C1 1947694804 CPWCLTXZPNRAOL-UHFFFAOYSA-N 302.187 3.383 10 10 DGCE C[C@@H]1[C@H](NCc2cc(Br)cc(F)c2O)C1(F)F 1948221300 OMUXPXYKGNLLKX-FWOIEVBISA-N 310.113 3.037 10 10 DGCE OCc1ccc(N2CCCSC[C@@H]2C(F)(F)F)c(F)c1 2143617755 UJEXDMYJFLLGIQ-GFCCVEGCSA-N 309.328 3.192 10 10 DGCE C[C@@H](CNCc1cccc(Br)c1O)OC(C)(C)C 1967914265 GNAIUGQKYPJGCQ-JTQLQIEISA-N 316.239 3.448 10 10 DGCE CC(C)(C)OC(=O)NC[C@@]1(C)CCN(Cc2ccc(N)cc2)C1 1977926679 OEVUWMJZUKUUSA-GOSISDBHSA-N 319.449 3.006 10 10 DGCE C[C@@H]1N(Cc2ccccc2)CC[C@@]1(N)c1ccc2c(c1)CCN2C 1999508651 ZIFRECHIAMKROO-KKSFZXQISA-N 321.468 3.127 10 10 DGCE Cc1onc(CN2CCC[C@@H]2CN=[N+]=[N-])c1Br 2009443926 ZIFBLOJNCCNYQK-MRVPVSSYSA-N 300.160 3.020 10 10 DGCE Cc1nc(Br)sc1CN1CC[C@@H](CN=[N+]=[N-])C1 2011869826 JZBRTAREVIGFKR-QMMMGPOBSA-N 316.228 3.346 10 10 DGCE CCOC(=O)[C@@]1(NC(C)C)CC[C@H](Sc2nccs2)C1 93851774 BGYUQFCBFGWCGD-SMDDNHRTSA-N 314.476 3.088 10 10 DGCE CC[C@H](c1ccc(C)cc1O)n1nc(C(C)C)c(CN)c1N 2078982025 QQGGDINAVUOWBK-CQSZACIVSA-N 302.422 3.061 10 10 DGCE CCC[C@@H]1C[C@H](NCc2ccc(Br)cc2O)CO1 2065792361 TVQOXLYPSPHTMP-QWHCGFSZSA-N 314.223 3.202 10 10 DGCE Cc1ccc(Br)c(NCCc2ccc(O)c(O)c2)n1 2091758405 FYHKGXHVQGNWFV-UHFFFAOYSA-N 323.190 3.218 10 10 DGCE CN[C@H](c1ccccc1O)[C@@H](O)c1ccc(Br)cc1 2091857887 FWCIRSZQXJWBSS-CABCVRRESA-N 322.202 3.149 10 10 DGCE CCCN[C@@H]1[C@@H](Sc2nccs2)COCCC1(F)F 2097090207 CTYXVIMKGVCRIM-VHSXEESVSA-N 308.419 3.028 10 10 DGCE CC[C@@]1(C)C[C@@H]1NCc1c(Br)ccc(OC)c1O 2220463195 XTOYIQVMLVIPBI-JSGCOSHPSA-N 314.223 3.442 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)c2c(Cl)cncc2Cl)C1 2227694782 DBWHUXFLDQOCIS-ZETCQYMHSA-N 300.149 3.161 10 10 DGCE CCC1=NN(c2ccccc2)C(=O)C1=Cc1ccc(O)c(O)c1 2332094498 MJFNXRPMDPSAKO-UHFFFAOYSA-N 308.337 3.294 10 10 DGCE CCOCCCN(C)Cc1ccc(C)c(Br)c1O 2327578363 QXGUVEXYNJEDOV-UHFFFAOYSA-N 316.239 3.322 10 10 DGCE CC(C)(C)SCC(=O)NCc1ccc(N2CCCC2)cc1 28047069 INSXTVRRWSPSDP-UHFFFAOYSA-N 306.475 3.435 10 10 DGCE O=C1N(CC2CC2)[C@@H](c2cc(Cl)ccc2O)NC12CCCC2 178541291 YSWZIIHWBWMXAC-HNNXBMFYSA-N 320.820 3.199 10 10 DGCE COc1cc(OC)cc([C@@H]2CCN(Cc3ccccc3O)C2)c1 179583498 HJWLLIOGSFHPBH-CQSZACIVSA-N 313.397 3.399 10 10 DGCE O=C(c1cccc(O)c1O)N1CCC[C@@H]1Cc1cccc(F)c1 187030847 NOELQGNONDKLMT-CQSZACIVSA-N 315.344 3.084 10 10 DGCE C[C@H](N[C@H](C)c1ccc2c(c1)CC(=O)N2)c1cc(F)ccc1O 185108545 ZERRTQAUBVNHCI-MNOVXSKESA-N 314.360 3.438 10 10 DGCE Cn1nc(C(F)F)c(CN2CC[C@H](CN=[N+]=[N-])C2)c1Cl 2364905325 LWRAPRBWUHFKPC-SSDOTTSWSA-N 304.732 3.143 10 10 DGCE CC(C)N(Cc1cccs1)S(=O)(=O)Cc1ccc(N)cc1 49026294 CVCOPIOCBHUWPK-UHFFFAOYSA-N 324.471 3.071 10 10 DGCE O=C(CSc1nccs1)NCc1ccc(Cl)s1 48876380 KOYRRFAKIMENCR-UHFFFAOYSA-N 304.849 3.267 10 10 DGCE Cc1c(Br)cc2c(c1N)C(=O)c1ccccc1C2=O 199555685 IREKOTQSZPLTEV-UHFFFAOYSA-N 316.154 3.115 10 10 DGCE [N-]=[N+]=NCCCN[C@H](C(=O)O)c1ccc(Cl)cc1Cl 90258891 MDNSXDSFYAZEAC-JTQLQIEISA-N 303.149 3.409 10 10 DGCE CN[C@@H](C)c1cc(Br)c(Br)cc1O 238322502 CBGIJADHKHWXJX-YFKPBYRVSA-N 309.001 3.198 10 10 DGCE CCN(C)c1ccc([C@H](C)N[C@@H](C)Cc2cc(C)[nH]n2)cc1 90533396 NRVPRXVQTSWTIU-ZFWWWQNUSA-N 300.450 3.456 10 10 DGCE Cc1cncc(/C=C\C(=O)N2C[C@H](C)C(=O)Nc3ccccc32)c1 255092957 ZVTOWBKICIJPDH-DANTVBBOSA-N 321.380 3.025 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1C[C@H]1C1CCCC1 649788739 DWWCSNMSDYMBPV-HOTGVXAUSA-N 314.429 3.304 10 10 DGCE CC[C@H]1CCN1Cc1cc(Br)cc(OC)c1O 814179080 PALNDPQCZZPKOK-NSHDSACASA-N 300.196 3.148 10 10 DGCE Cc1cccc(CN[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C)c1O 721879824 IYJCJUKDGXZOMG-ZFWWWQNUSA-N 320.433 3.046 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1CCC(C2CC2)CC1 831924972 PWHIQIKKFZOFTB-UWTIGNOOSA-N 317.429 3.361 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@H](C)CC1 734687403 YTZIPVMYZGXISE-AWEZNQCLSA-N 303.450 3.393 10 10 DGCE C[C@@H]1C[C@@H](NCC2(CF)CCOCC2)c2c(O)ccc(F)c21 834885724 NDRKCFFUESOEKK-DGCLKSJQSA-N 311.372 3.436 10 10 DGCE COc1cc(Cl)cc(CN[C@H]2CCc3cc(N)ccc32)c1O 849352901 SBLLAVCPRHNXOT-HNNXBMFYSA-N 318.804 3.414 10 10 DGCE COC[C@@H]1CCN1C(=O)c1sccc1-n1c(C)ccc1C 843894201 UGYHPXSRTQVWRR-ZDUSSCGKSA-N 304.415 3.017 10 10 DGCE COC(=O)/C=C\c1ccc(N2C[C@H](C)CC[C@H]2C)c([N+](=O)[O-])c1 743461271 XFFIAMGFYYJTHT-JKOXKOMZSA-N 318.373 3.406 10 10 DGCE COc1cccc([C@H](C)N[C@H](C)Cc2c(C)nn(C)c2C)c1O 846143435 BTNFWBKSJXKJCA-NEPJUHHUSA-N 317.433 3.033 10 10 DGCE O=C(NCc1cccc(Cl)c1O)Nc1nnc(C2CC2)s1 929230578 XEAFELOMHYNDJN-UHFFFAOYSA-N 324.793 3.096 10 10 DGCE COc1cccc(/C(C)=C/C(=O)NCc2ccc(N(C)C)cc2)c1 751220497 YSCQEIJUCKCRTQ-NTCAYCPXSA-N 324.424 3.481 10 10 DGCE COc1ccc2c(c1)N(C(=O)/C(C)=C/c1cccnc1)CCC2 856078547 TYRWMWGGZCKHBC-SDNWHVSQSA-N 308.381 3.473 10 10 DGCE c1csc(SCCCN[C@H]2CCCN3CCCC[C@@H]23)n1 925102150 LMRJYJARLVUHTB-KBPBESRZSA-N 311.520 3.232 10 10 DGCE Cc1ccc(O)c([C@H](C)N[C@@H]2C(=O)N(C)Cc3ccccc32)c1 857875468 PFZNBESSTNEPCR-UGSOOPFHSA-N 310.397 3.065 10 10 DGCE CCCC[C@@H](C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855227526 ZLZKPOODRIPEDH-CABCVRRESA-N 304.434 3.216 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@@H](C)c3csc(C)n3)C2)cc1 850489140 RFPDRPQXVOEEQJ-GXTWGEPZSA-N 317.458 3.390 10 10 DGCE CCN(C)c1ccc([C@H](C)N[C@@H](COC)C2CCOCC2)cc1 850491540 FAFBHTSFWOHMSQ-KXBFYZLASA-N 320.477 3.235 10 10 DGCE CO[C@@H](C)[C@@H](C)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C 854529053 YPNHYFKOGMTDBD-ZBFHGGJFSA-N 314.429 3.176 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1cccc2nccnc12 755492837 KWJOCFSDROKDCZ-UHFFFAOYSA-N 321.380 3.388 10 10 DGCE CCN(CC)CC1CCN(Cc2ccc(N(C)C)cc2)CC1 768301899 FAIPUZCXXLIGAO-UHFFFAOYSA-N 303.494 3.306 10 10 DGCE CC(C)(C)C1CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1 768444475 BQDGITDGYQYVPN-MRXNPFEDSA-N 305.418 3.076 10 10 DGCE COCc1ccnc(NCc2cc(F)c(N(C)C)cc2F)c1 862401598 GODQLCPQZLNGFQ-UHFFFAOYSA-N 307.344 3.184 10 10 DGCE Cc1cc(Cl)cc(CN[C@H](CO)Cc2ccc(F)cc2)c1O 776252392 SVXYQIHPFXSGCA-INIZCTEOSA-N 323.795 3.186 10 10 DGCE CC[C@H]1C[C@@H](C(=O)NCc2c(O)ccc3ccccc23)CCO1 1558554027 HRPWRRFTMPKUMQ-GJZGRUSLSA-N 313.397 3.367 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(Nc2ccc(N)cc2)C1 1959362771 HFZQMEXMFBGQDH-YVEFUNNKSA-N 303.406 3.080 10 10 DGCE C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CC1(C)C 785427478 XQYSBWSEIUQWPD-UKRRQHHQSA-N 306.425 3.187 10 10 DGCE CC(C)[C@H](NCc1cc(F)cc(F)c1O)C1(CO)CC=CC1 895083347 DJFAWSUZIYYJSG-INIZCTEOSA-N 311.372 3.113 10 10 DGCE O=C(C[C@@H]1CCC2(CCC2)CO1)NCc1cc(Cl)ccc1O 898277321 MSNKQYUUIGVCJA-AWEZNQCLSA-N 323.820 3.401 10 10 DGCE Oc1ccc(-c2ccccc2)cc1CN1CCCn2nncc2C1 895757738 YUWVHJFWLHQUHR-UHFFFAOYSA-N 320.396 3.057 10 10 DGCE O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@H](C2CC2)C1 897266619 NNTFUPMWAYMQPA-JTQLQIEISA-N 303.383 3.185 10 10 DGCE Cc1ncsc1CNC(=O)c1cc2cc(O)c(O)cc2s1 1136713884 UZRZXDHVCXTJLI-UHFFFAOYSA-N 320.395 3.007 10 10 DGCE C[C@H](Sc1ccccn1)C(=O)NCc1cc(Cl)ccc1O 1146232386 KLTPPHJUSAZHIH-JTQLQIEISA-N 322.817 3.238 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCCN(S(=O)(=O)c2ccc(Cl)o2)C1 1912183574 QXGXKXWIAKEDST-VIFPVBQESA-N 318.786 3.034 10 10 DGCE Nc1ccc(CCCN(Cc2ccccc2)[C@@H](CO)C2CC2)cc1 1915166799 SBYPFKBNBYGTFX-NRFANRHFSA-N 324.468 3.475 10 10 DGCE CCc1ccc2occ(C(=O)NCc3ccc(O)cc3O)c2c1 1469158555 BATRJZUGLYRANP-UHFFFAOYSA-N 311.337 3.336 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@@H]12 1464505978 LMVUYYTYJCNBBC-GYFISPQKSA-N 312.457 3.393 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)c1cc(Cl)ncc1F 1469877934 YWDLFDOZNLDGQN-UHFFFAOYSA-N 315.131 3.163 10 10 DGCE Cn1ccc2c([C@H]3CN(C(=O)OC(C)(C)C)CCN3)cccc21 1535977172 OQGZRWHEQIJFSA-OAHLLOKOSA-N 315.417 3.060 10 10 DGCE Cc1nc2ccccc2cc1C(=O)NCc1c(O)cccc1F 1471976028 PRPMCPQXYCNJCU-UHFFFAOYSA-N 310.328 3.318 10 10 DGCE Cc1ccc(NCc2ccc(O)c(O)c2O)cc1Br 226748865 YNHIAXPISPOXMR-UHFFFAOYSA-N 324.174 3.486 10 10 DGCE CN(Cc1ccccc1O)C(=O)c1ccc(-c2cnn(C)c2)cc1 1545501137 IVOFHWDLMWQJLB-UHFFFAOYSA-N 321.380 3.065 10 10 DGCE Cc1c(O)nc2ccccc2c1C(=O)N[C@@H](C)c1ccccc1O 1632254899 JKVGGJVCBPPCNX-LBPRGKRZSA-N 322.364 3.445 10 10 DGCE C[C@@H](NC(=O)[C@H](O)c1ccc(Cl)cc1F)c1ccccc1O 1635798858 FKSIJACMCPCPRU-RFAUZJTJSA-N 323.751 3.096 10 10 DGCE CC(C)(CNC(=O)OC(C)(C)C)C[C@H](N)c1ccccc1O 1928469222 FXYSXLSJEBLRIA-ZDUSSCGKSA-N 308.422 3.333 10 10 DGCE COc1ccc2c(c1)C[C@H](C(C)C)CN2CCC1OCCO1 1643506132 RXXATEXPULTEPD-HNNXBMFYSA-N 305.418 3.093 10 10 DGCE Cc1cc(Cl)nc(C(=O)Nc2c(Cl)ccc3nonc23)c1 1586683228 ZKQKLEPKWVVBKX-UHFFFAOYSA-N 323.139 3.485 10 10 DGCE COC1(CNC(=O)NCc2cc(C)ccc2O)CCCCCC1 1676641999 LEIICBSENWGRFN-UHFFFAOYSA-N 320.433 3.239 10 10 DGCE C[C@@H](NC(=O)N1Cc2cccc(O)c2C1)c1ccc(F)cc1 1685608507 ZHAAYLZKYCWPLC-LLVKDONJSA-N 300.333 3.318 10 10 DGCE CCC1(NC(=O)OC(C)(C)C)CCN(CCCN=[N+]=[N-])CC1 1962298318 DGTDDVNUIOFKBI-UHFFFAOYSA-N 311.430 3.456 10 10 DGCE CC[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](CC)CN1CCN=[N+]=[N-] 1962301142 ULHKCSQFYNJDRZ-CHWSQXEVSA-N 311.430 3.407 10 10 DGCE CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(C)cc3)c2C)C1=O 5793724 ZKJWUESGFTXOIS-GZTJUZNOSA-N 323.396 3.315 10 10 DGCE CNCc1ccc(N2C[C@H]3CCCCN3C[C@H]2C)c(Cl)c1 164156067 HSAIJTRUEMSZDC-UKRRQHHQSA-N 307.869 3.122 10 10 DGCE CC(=O)N[C@@H](C)CN=NNc1ccc(C)c(Br)c1 1860494927 LTNGDSGMNFIHFA-VIFPVBQESA-N 313.199 3.061 10 10 DGCE Cc1ccc(O)c(CNCCC(=O)NC2CCCCCC2)c1 1857861628 BACKHCSWHVUMTB-UHFFFAOYSA-N 304.434 3.019 10 10 DGCE CN(C)c1ccc([C@H]2CC(=O)CN2C(=O)OC(C)(C)C)cc1 1951881084 VQOCBGIKTPBLIP-OAHLLOKOSA-N 304.390 3.004 10 10 DGCE Oc1cccc(Cl)c1CNCc1cc(C(F)(F)F)no1 1965938043 XAPVZLNLGBZUFB-UHFFFAOYSA-N 306.671 3.342 10 10 DGCE C[C@H]1CN(c2ccc(CO)cc2Br)CC1(F)F 1996505390 LGQMENWZHCWMSJ-QMMMGPOBSA-N 306.150 3.033 10 10 DGCE NCc1ccc(N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1 1999616357 JJOSBENSQRVRAW-NRFANRHFSA-N 321.468 3.248 10 10 DGCE CC[C@H](N[C@@H]1C[C@H]1NC(=O)OC(C)(C)C)c1ccccc1O 300210178 JOIRUZNICSXMRH-BFHYXJOUSA-N 306.406 3.099 10 10 DGCE CS[C@@H]1CCCN(c2ccc(CN)cc2Br)C1 383002305 DZDWUIICKPHJAJ-LLVKDONJSA-N 315.280 3.240 10 10 DGCE CC1(C)CO[C@H](CNCc2c(O)cccc2Br)C1 717608260 MCSYUHPHXHNWMQ-JTQLQIEISA-N 314.223 3.059 10 10 DGCE Cc1ccc(O)c(CNCC2(CNC(=O)OC(C)(C)C)CC2)c1 862477094 BYZUXUYJGOOOPN-UHFFFAOYSA-N 320.433 3.095 10 10 DGCE COc1ccc(O)c(Cn2nc(C3(C)CC3)c(C(F)F)c2N)c1 2079717605 BWENAZYCJOJKPW-UHFFFAOYSA-N 323.343 3.217 10 10 DGCE C[C@H](O)c1ccc(N(C)Cc2cocn2)cc1Br 2042267333 UJFFVTTYPHCDDQ-VIFPVBQESA-N 311.179 3.127 10 10 DGCE C[C@@H]1CCOCC[C@H]1NCc1cc(Br)ccc1O 2046731213 MVNGANXLPMBYJK-ZWNOBZJWSA-N 314.223 3.059 10 10 DGCE CCN[C@H](c1ccc2c(c1)CCN2C)c1nc(Cl)cs1 2196950726 GVBCFQVEOXFCRL-CQSZACIVSA-N 307.850 3.488 10 10 DGCE C[C@@H]1OCC[C@@H]1CN(C)Cc1ccc(Br)cc1O 2057475519 OPZSBOLBPLJGBO-WDEREUQCSA-N 314.223 3.012 10 10 DGCE CC[C@@H](COC(F)F)NCc1c(O)cccc1Br 2067261543 ZEQDEWNAELRKPE-QMMMGPOBSA-N 324.165 3.262 10 10 DGCE C[C@H](c1ccccc1O)N(C)c1nccnc1Br 2072453437 QROHFDVKUVAOMK-SECBINFHSA-N 308.179 3.142 10 10 DGCE C[C@@H]1CC[C@@H](CN(C)Cc2ccc(Br)cc2O)O1 2075393383 VGFGLCJTZIGRJF-MFKMUULPSA-N 314.223 3.154 10 10 DGCE CN(CC[C@@H]1CCOC1)Cc1cccc(Br)c1O 2075508913 BOIRDEBOICFVHO-LLVKDONJSA-N 314.223 3.013 10 10 DGCE C[C@@H](N)c1ccc(N(C)C[C@@H](F)[C@H]2CCOC2)cc1Cl 2238325103 XQKHKJVFVBRYGV-JRPNMDOOSA-N 300.805 3.171 10 10 DGCE CNCc1ccc(N2C[C@H]3C[C@H]3C2(C)C)c(Br)c1 2257027246 RRGZDVJSRXSQMU-VXGBXAGGSA-N 309.251 3.403 10 10 DGCE CC[C@@H](Nc1c(N)cccc1Br)[C@H](C)CN(C)C 2260295751 ZPCQQWFLBXMEHL-ZWNOBZJWSA-N 314.271 3.420 10 10 DGCE COc1ccc(Br)c(NCc2ccccc2O)c1N 2270558448 CPZYGYKPPAVJRK-UHFFFAOYSA-N 323.190 3.358 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@H]1CC[C@H]2C[C@H]1CO2 2265672817 GHVLYWIIHXUOAH-GAFUQQFSSA-N 302.201 3.356 10 10 DGCE CSc1ncc(CN[C@H]2CCNCc3ccccc32)s1 2284688584 LBXKDVVJCDFMDE-AWEZNQCLSA-N 305.472 3.189 10 10 DGCE Cc1ccc([C@@H](C)NC[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)c(O)c1 2296817873 PJBIHHPMSUBBQV-IPYPFGDCSA-N 320.433 3.264 10 10 DGCE CCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S 2297341144 NUVUSJFIBYRKLR-UHFFFAOYSA-N 307.396 3.027 10 10 DGCE Cc1ccc(-c2nc(C=C3SC(=S)NC3=O)co2)cc1 2297779244 JMROUNREERKKMK-UHFFFAOYSA-N 302.380 3.139 10 10 DGCE Cc1ccc(CN2[C@H]3CC[C@H]2CC(=O)C3)c(O)c1Br 2352576929 DZHOAAUSGNOJTA-RYUDHWBXSA-N 324.218 3.159 10 10 DGCE Cc1cc(C(=O)NCc2ccc(C)c(Br)c2O)co1 2352646945 ZHCWGZYIIIVTSP-UHFFFAOYSA-N 324.174 3.295 10 10 DGCE C[C@@H](NC1CCN(c2ccccn2)CC1)c1ccc(N(C)C)cc1 124341774 CIFIADWAOCFTRT-MRXNPFEDSA-N 324.472 3.467 10 10 DGCE C[C@@H]1CSC[C@H]1NCc1cc(OC(F)(F)F)ccc1O 2361044688 CFIYUIVBPFRTQW-LDYMZIIASA-N 307.337 3.132 10 10 DGCE COc1cccc2c1nc(NCc1ccc(N(C)C)cc1)n2C 184791622 SXSMKPSKPMPUBL-UHFFFAOYSA-N 310.401 3.260 10 10 DGCE COc1cc(Cl)cc(CN2CCC[C@@H]([C@@H]3CCCN3)C2)c1O 317627342 OAYMUZXSASFFKV-DOMZBBRYSA-N 324.852 3.018 10 10 DGCE COc1ccc(N(CC[C@@H]2CCOC2=O)[C@H](C)C2CC2)cc1 120533919 YUFFJVDRCMWMIP-UKRRQHHQSA-N 303.402 3.253 10 10 DGCE CCOCCN(CCOCC)c1ccc([C@H](C)N)cc1Cl 123194713 NMWCTGZFLOXOAV-ZDUSSCGKSA-N 314.857 3.239 10 10 DGCE FC(F)(F)Oc1ccc2c(c1)CCCN2Cc1cncnc1 182120059 VECXNEOHNDGHAL-UHFFFAOYSA-N 309.291 3.328 10 10 DGCE C[C@H](NCCc1ccc(-n2cccn2)cc1)c1ccccc1O 183404432 GBXRCROOLXVHJE-HNNXBMFYSA-N 307.397 3.471 10 10 DGCE Oc1cc2c(cc1CN1CCC([C@@H]3CCCO3)CC1)CCC2 190183287 QTUNBWHLKULEDB-IBGZPJMESA-N 301.430 3.272 10 10 DGCE CC[C@@H]1CCC[C@@](NCc2cnc(SC)s2)(C(=O)O)C1 2371755019 HMANFNIMDGVNDS-YGRLFVJLSA-N 314.476 3.378 10 10 DGCE CC[C@H](N[C@@H](CO)C(C)C)c1cc(Br)ccc1O 92393351 ABVIQBQGHNNLLJ-STQMWFEESA-N 316.239 3.212 10 10 DGCE CC(=O)N(C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(N)cc1 244174845 VFQRBHXILOKGBE-LRCAOYNASA-N 315.417 3.156 10 10 DGCE CN(C)c1ccc(CNC(=O)c2ccc3c(c2)CC(C)(C)O3)cc1 1353505455 ZOJPALHHXKXBTO-UHFFFAOYSA-N 324.424 3.396 10 10 DGCE Nc1ccc(CCNC(=O)/C=C\c2cc3ccccc3o2)cc1 255124917 VLCXHJIGNULXQM-KTKRTIGZSA-N 306.365 3.387 10 10 DGCE COC[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccccc1 273447789 FLNOIHAAEABZBF-BLLLJJGKSA-N 316.357 3.339 10 10 DGCE CC[C@H](N[C@H](C)c1cc2c(cc1O)CCCC2)[C@@H](O)C(F)F 296425256 LPLQVVSZJSRZRM-FUEDEBDSSA-N 313.388 3.326 10 10 DGCE Oc1c(F)ccc(Cl)c1[C@@H](N1CCOCC1)C(F)(F)F 575301548 CMUFGWPRGYPYNF-LLVKDONJSA-N 313.678 3.120 10 10 DGCE Cc1cc(N(C)C)ccc1CNCc1ccc(C(=O)O)s1 903678268 JJZIHGLKNHRKKQ-UHFFFAOYSA-N 304.415 3.111 10 10 DGCE COc1ccc(F)c(/C=C2/SC(N3CCCCC3)=NC2=O)c1 834408925 OVTDWYKJVUQGIH-GXDHUFHOSA-N 320.389 3.291 10 10 DGCE C[C@H](N[C@H]1CNc2ccccc2C1)c1cc(F)cc(F)c1O 844920866 NQVCRIWQRDKKSU-GXFFZTMASA-N 304.340 3.358 10 10 DGCE Cc1cc(O)c(CN2CCC[C@H]2c2nc(C)no2)c(Cl)c1 840946044 GTNWKDGGWVTMHA-ZDUSSCGKSA-N 307.781 3.383 10 10 DGCE NC[C@@H]1c2ccccc2CCN1Cc1cccc(Cl)c1O 843129574 PXHYUBBSKIVPST-MRXNPFEDSA-N 302.805 3.104 10 10 DGCE COc1cc(CN[C@H](C)c2cn[nH]c2)c(O)c(C(C)(C)C)c1 850226601 QVJHUHNBXSRGRX-LLVKDONJSA-N 303.406 3.272 10 10 DGCE CCOc1cccc(CN[C@H]2[C@@H]3c4ccc(F)cc4C[C@H]32)c1O 850408836 FZYNALMEIGWPEA-KBAYOESNSA-N 313.372 3.358 10 10 DGCE COC[C@H](N[C@H](C)c1ccc(C)c(C)c1O)C1CCOCC1 850494670 VYEUIFUKOYJGRN-PBHICJAKSA-N 307.434 3.101 10 10 DGCE C[C@H](NCCOCCCN)c1ccc(N2CCCCCC2)cc1 863547018 NSBKRWSYSYZVAY-KRWDZBQOSA-N 319.493 3.083 10 10 DGCE Nc1ccc(CC(=O)N[C@@H](Cc2cccnc2)C2CCCC2)cc1 868026193 HFNZNFPMBQTNNG-IBGZPJMESA-N 323.440 3.124 10 10 DGCE CCOc1ccc(CN2CCO[C@H](c3ccsc3)C2)c(O)c1 769516179 ZYWJUCOOQGNRJL-KRWDZBQOSA-N 319.426 3.426 10 10 DGCE CCc1cnccc1C(=O)N(CC)Cc1ccc(N(C)C)cc1 765482178 CEPXACAZXFZBIG-UHFFFAOYSA-N 311.429 3.372 10 10 DGCE C[C@@H](CNCc1c(O)cccc1F)COCc1ccccc1 1958764217 TVOBFLUPFNFNFT-AWEZNQCLSA-N 303.377 3.474 10 10 DGCE COc1ccc2c(c1)NC1(CCCCCC1)CN2CC(=O)O 76931236 XFWGYAPTDCGTSG-UHFFFAOYSA-N 304.390 3.105 10 10 DGCE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNc1ccc(N)cc1 1959364956 OSKYEZSMAUAPLX-DOMZBBRYSA-N 305.422 3.326 10 10 DGCE C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CC1(C)C 785433120 DFSLZJWHSJVWRZ-CJNGLKHVSA-N 320.452 3.311 10 10 DGCE O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@H](CF)C1 899207715 ZEESREJFBRGHGE-SECBINFHSA-N 309.362 3.134 10 10 DGCE CCOc1cccc(CN2CC[C@H](c3nccs3)C2)c1O 895585082 VPJSPBVHJSYJHC-ZDUSSCGKSA-N 304.415 3.237 10 10 DGCE Cc1cnn(C)c1CNCCc1cc(C)n(-c2ccccc2)c1C 796259832 YTSCSNCLNGJJLH-UHFFFAOYSA-N 322.456 3.468 10 10 DGCE COC(=O)/C=C\c1ccc(N2CC(C)=C[C@@H](C)C2)c([N+](=O)[O-])c1 797438745 HGXZKRQHQYCGHG-SMYYYNMVSA-N 316.357 3.183 10 10 DGCE CCN(C[C@H](N)c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C 1959562582 OPGOSKSWZUHNRH-HNNXBMFYSA-N 307.438 3.009 10 10 DGCE Cc1nn(C)c(Br)c1CN[C@@H](C)c1ccccc1O 2129294450 IDIDRDSYUPPNJR-VIFPVBQESA-N 324.222 3.047 10 10 DGCE C[C@@H](N)Cc1cnc(SCCCOCC2CCC2)s1 2128299116 CCEBCPGCZPEMSF-LLVKDONJSA-N 300.493 3.332 10 10 DGCE O=C(NCCCSc1nccs1)[C@@H]1CCC[C@@H](F)C1 1325877742 GYSZGUMJAYCFLN-GHMZBOCLSA-N 302.440 3.270 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)c1cc(Cl)nnc1O 1184711502 UHFOSPHLOFFZEY-UHFFFAOYSA-N 318.808 3.072 10 10 DGCE OCc1ccc(N(Cc2ccccc2)C2COC2)cc1C1CC1 1901159650 ZKLPBBIPOGTSIN-UHFFFAOYSA-N 309.409 3.462 10 10 DGCE Cn1cnc(/C=C\C(=O)N2CCCc3ccc(F)c(Cl)c32)c1 1437133340 MJDWQMYRPKXXCN-ALCCZGGFSA-N 319.767 3.205 10 10 DGCE [N-]=[N+]=N[C@@H]1CCN(C(=O)c2ccc(F)c(Br)c2)C1 1912153248 FPOKTYIKDCADLU-MRVPVSSYSA-N 313.130 3.113 10 10 DGCE COC1(C(F)(F)CNCc2ccc(Cl)cc2O)CCC1 1912545756 KJJITYDKVHHICT-UHFFFAOYSA-N 305.752 3.340 10 10 DGCE CCCN[C@@H]1CC[C@@H](COC)C[C@H]1Sc1nccs1 1918882066 QUBXXATZJNAMEN-JHJVBQTASA-N 300.493 3.419 10 10 DGCE Cc1ccccc1CC(C)(C)NC(=O)Cc1ccc(O)c(O)c1 1546299427 HBWUOGLVSSIGDG-UHFFFAOYSA-N 313.397 3.086 10 10 DGCE COc1ccc(CNC[C@H](C)CNC(=O)CC(C)(C)C)cc1C 1568159839 AFLYXHZBTMXHET-AWEZNQCLSA-N 320.477 3.282 10 10 DGCE CCN(CC)c1ccc(Cn2c(C)nnc2N(CC)CC)cc1 1728381298 LSEOLDBPUQOVHV-UHFFFAOYSA-N 315.465 3.327 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2cc(-c3ccccc3)on2)c1 1641728596 CLEKZEFIVJRLOD-UHFFFAOYSA-N 308.337 3.286 10 10 DGCE COc1ccc(N(C)CCN(C)CCc2cccc(F)c2)cc1 1646720512 UROSEGGNHUKHMW-UHFFFAOYSA-N 316.420 3.445 10 10 DGCE COC(=O)/C=C/c1ccc(N2C[C@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 1652013776 KTKARXUTJGQPOB-BIYBCCJYSA-N 316.357 3.160 10 10 DGCE Cc1ccc(C(=O)NCc2c(O)cccc2O)c(Cl)c1C 1597573782 GJARALHICOGKRR-UHFFFAOYSA-N 305.761 3.298 10 10 DGCE CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1cccs1 16157568 PPBOCHBCJJLLFH-ZROIWOOFSA-N 313.338 3.462 10 10 DGCE CC(C)=CCC1(CC=C(C)C)C(=O)C(=O)[C@@H](C(=O)C(C)C)C1=O 100772709 HMEGPOIWNGKXBR-CQSZACIVSA-N 318.413 3.248 10 10 DGCE endogenous,in-man CCC/C(C)=C\C(=O)N1CCN(c2ccc(OCC)cc2)CC1 1253863174 CYGIZKZTQISROM-NXVVXOECSA-N 316.445 3.480 10 10 DGCE CCC1(NCc2c(Br)ccc(OC)c2O)CC1 1964062997 KZMIJXOBVJAJKZ-UHFFFAOYSA-N 300.196 3.196 10 10 DGCE Cc1ccc(O)c([C@H](C)NC[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)c1 1978010206 YQNVNHPQTMDWBZ-KCQAQPDRSA-N 320.433 3.264 10 10 DGCE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)c1ccc(N)cc1 1978219300 CHKBBWBBZSSXHN-BBRMVZONSA-N 319.449 3.351 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2CN(CCCCN=[N+]=[N-])CC[C@H]2C1 1982246251 RRBCYADQZCPPSW-KBPBESRZSA-N 323.441 3.266 10 10 DGCE CC(C)(C)OC(=O)Nc1ccoc1C(=O)N1CC[C@H](N=[N+]=[N-])C1 1985093892 GYNMAXHOCZOZDF-VIFPVBQESA-N 321.337 3.151 10 10 DGCE C[C@H](O)c1ccc(N(C)CC2(F)CC2)cc1Br 2025732744 PLHLZTGZULZCIS-VIFPVBQESA-N 302.187 3.441 10 10 DGCE C[C@@H]1C[C@@]1(F)CN(C)c1ccc(CO)c(Br)c1 2025732732 PKKIPMACYXUNQG-NOZJJQNGSA-N 302.187 3.126 10 10 DGCE COCCNCc1ccc(N2CCC=C(Cl)C2)c(Cl)c1 404397798 XSBGGHYTARLKQH-UHFFFAOYSA-N 315.244 3.409 10 10 DGCE C[C@@H]1CCN(c2ccc(CN)c(Br)c2)CCS1 379505708 IXNCBGIONUZIHA-SNVBAGLBSA-N 315.280 3.240 10 10 DGCE C[C@H](N)c1ccc(N(C)[C@H](C)C(C)(C)O)c(Br)c1 382814948 SGNPMIOICBREDC-VHSXEESVSA-N 315.255 3.064 10 10 DGCE Cc1cc(C(=O)Nc2ccc(O)c(O)c2)nn1C1CCCCC1 2064535019 BROABZYGTGCOJK-UHFFFAOYSA-N 315.373 3.360 10 10 DGCE CCc1nn([C@H](c2ccc(C)cc2O)C(C)(C)C)c(N)c1C=O 2079126643 BHQXHRDSLMWOKQ-MRXNPFEDSA-N 315.417 3.490 10 10 DGCE CCc1nn([C@H](c2cc(C)c(C)cc2O)C2CC2)c(N)c1C=O 2079959763 YLZNILLXQDKKGS-KRWDZBQOSA-N 313.401 3.162 10 10 DGCE CC[C@H](CN(C)c1ccc([C@H](C)N)c(Br)c1)OC 2068254555 QXFYMXSGRMQQQM-CMPLNLGQSA-N 315.255 3.330 10 10 DGCE C[C@]12CC[C@H]1CN(c1ccc(CN)c(Br)c1F)C2 2086877568 KNGXFCNXTIZXFX-IINYFYTJSA-N 313.214 3.283 10 10 DGCE Cc1cccc(CNC(=O)c2cc(Cl)nc(Cl)c2)c1O 2204619885 ASESORBIWAPCRP-UHFFFAOYSA-N 311.168 3.332 10 10 DGCE CNCc1ccc(N2CCC[C@H](OC(F)F)C2)c(Cl)c1 2235667930 YIONAIODIPSLNN-NSHDSACASA-N 304.768 3.267 10 10 DGCE FC(F)(F)SC1CN(c2ccc(CNC3CC3)cc2)C1 2237490716 JICNVBWHIVEHRG-UHFFFAOYSA-N 302.365 3.380 10 10 DGCE COc1cc(OC)c(N(C)CCCCCCN)cc1Cl 2285938284 ZXKBOCNMGDGVEV-UHFFFAOYSA-N 300.830 3.313 10 10 DGCE COC[C@@]1(F)CCN([C@@H](C)c2cc(Cl)c(C)cc2O)C1 2286458861 RATBBDXXYIHYRG-XHDPSFHLSA-N 301.789 3.475 10 10 DGCE Cc1cc(O)c([C@H](C)N(C)[C@@H]2CCOC[C@H]2F)cc1Cl 2286459602 YHWYYUXRVMJPNX-ZLKJLUDKSA-N 301.789 3.474 10 10 DGCE COCCCCCCSc1ncc(CNCCOC)s1 2287533334 GSGFGKNETSAPSE-UHFFFAOYSA-N 318.508 3.178 10 10 DGCE C[C@H]1C[C@H](c2cccnc2)N(C(=O)C=Cc2ccc(O)c(O)c2)C1 2308699094 UEYZXSBWAZRAHW-XJKSGUPXSA-N 324.380 3.116 10 10 DGCE COCCCN1C(=O)C(=Cc2cccc(C)c2)SC1=S 2323675284 XWBVMEDVPCTXNV-UHFFFAOYSA-N 307.440 3.233 10 10 DGCE COc1ccc(O)c(CNC(=O)Nc2cccc3cnccc23)c1 172019694 AWDLEQCIXUMONP-UHFFFAOYSA-N 323.352 3.271 10 10 DGCE c1cc(N2CCOCC2)ccc1CNC[C@@H]1CC[C@H]2C[C@@H]2C1 403174555 DRAWCMDCJMZFIT-SQNIBIBYSA-N 300.446 3.049 10 10 DGCE CN1CCCc2cc([C@@H](CN)N(C)Cc3ccccc3)ccc21 302929551 ONEQJQXKTMCEPO-HXUWFJFHSA-N 309.457 3.201 10 10 DGCE CC[C@H](Nc1ccccc1S(C)(=O)=O)c1ccccc1O 37075876 GBCIJAKGWRQNRO-ZDUSSCGKSA-N 305.399 3.359 10 10 DGCE Oc1ccccc1CN[C@@H](c1ccc(Cl)cc1)c1ncon1 122658091 UQPOONZMCREKIZ-HNNXBMFYSA-N 315.760 3.308 10 10 DGCE COc1cc(C(=O)N(C)Cc2ccc(N)cc2)sc1Cl 2365810600 SSKYTBABAWQDGI-UHFFFAOYSA-N 310.806 3.265 10 10 DGCE C[C@H](NC1CCSCC1)c1ccc(N2CCC(O)CC2)cc1 180507953 CFQQRXKAUJNFRW-AWEZNQCLSA-N 320.502 3.194 10 10 DGCE Cn1c(-c2ccccc2)cnc1SC[C@@H](O)CC(F)(F)F 189331936 BQBMHBIKYUFAPP-NSHDSACASA-N 316.348 3.493 10 10 DGCE C[C@H](c1cc(Cl)ccc1O)N1CCN(CC(F)(F)F)CC1 134091395 GSXRLVNEFSMRAC-SNVBAGLBSA-N 322.758 3.287 10 10 DGCE CN(Cc1ccc(N)cc1)Cc1ncccc1Br 381153437 BUGFFFGIQXSABH-UHFFFAOYSA-N 306.207 3.058 10 10 DGCE CCN(Cc1ccc(N)cc1)[C@H]1CCO[C@]2(CCSC2)C1 94379266 PGGSEMZIWJBSRA-DLBZAZTESA-N 306.475 3.145 10 10 DGCE CCN(CC)c1ccc(CN[C@@H]2C[C@H](C)N(C)C[C@H]2C)cc1 247024759 LWCLQUVWULHIDA-JTDSTZFVSA-N 303.494 3.351 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)c1n[nH]c(C)c1C 282443141 IHTSQIKMCCWBPG-UHFFFAOYSA-N 301.390 3.175 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CCCC1(F)F 807597353 ZXQRMQQLBYZSIE-OAHLLOKOSA-N 324.371 3.258 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)Nc1nn(C)cc1C 826036368 HJHXLAMNQLXBAV-UHFFFAOYSA-N 316.405 3.268 10 10 DGCE CC(C)N(C)CC1CCN(Cc2cc3c(cc2O)CCC3)CC1 738088774 IQJMCVYMFUFMAQ-UHFFFAOYSA-N 316.489 3.433 10 10 DGCE Cc1ccc([C@H](C)NCc2nc(CN(C)C)cs2)c(O)c1 903223080 TWJZMFIIFQUQQG-LBPRGKRZSA-N 305.447 3.070 10 10 DGCE Cc1nccn1C[C@@H](C)CNC/C=C/c1ccc(N(C)C)cc1 835035518 IVWCBYFTQRORQC-JFDDCEBESA-N 312.461 3.197 10 10 DGCE Cc1cc(O)c(CNC[C@@H](O)c2ccccc2F)c(Cl)c1 840882073 LZATVGYBWRILRC-MRXNPFEDSA-N 309.768 3.316 10 10 DGCE CC[C@@H](NCc1ccccc1CNC)c1ccc(F)cc1O 844924648 PGNVKRNHZNLCLR-QGZVFWFLSA-N 302.393 3.492 10 10 DGCE CN(C)c1ccc(CN(Cc2cnc(Cl)n2C)C2CC2)cc1 848881496 OUCWDLIHEZDZLU-UHFFFAOYSA-N 318.852 3.304 10 10 DGCE C[C@]1(CCNC(=O)NCc2c(O)cccc2F)C[C@]1(F)Cl 923067272 UNZIXCCVBFAOHI-UONOGXRCSA-N 318.751 3.035 10 10 DGCE CC[C@@H](N[C@@H]1CCN(C2CCC2)C1=O)c1cccc(Cl)c1O 858602854 KFHLDLCKZWWOCD-HUUCEWRRSA-N 322.836 3.240 10 10 DGCE CC1(C)CN(Cc2ccccc2F)c2ccc(CN)cc2O1 74337616 JHOJEDDXMDLDES-UHFFFAOYSA-N 300.377 3.462 10 10 DGCE Oc1ccccc1CN(C[C@H](O)CC(F)(F)F)C1CCCC1 787245672 KNPKDDIBLPCYLZ-CQSZACIVSA-N 317.351 3.450 10 10 DGCE COc1cccc(CNC(=O)c2cc(O)c3ccccc3c2)c1O 792237423 CZVPEGFZLYMAHU-UHFFFAOYSA-N 323.348 3.190 10 10 DGCE C[C@H](CN(C)C(=O)OC(C)(C)C)N[C@H](C)c1ccc(O)cc1O 706533706 AODNMMJIOUVEII-VXGBXAGGSA-N 324.421 3.004 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)Nc2ccc(Cl)nc2)cc1 1141401788 NVEYPFPYAYARDV-UHFFFAOYSA-N 303.709 3.150 10 10 DGCE CO[C@H]1CC[C@H](C)N(Cc2cc(Cl)cc(C(C)=O)c2O)C1 1196887129 FWACKQCCARECAJ-HZMBPMFUSA-N 311.809 3.248 10 10 DGCE C/C(=C/C(=O)N1CCCc2cc(F)c(F)cc21)c1cnccn1 1352650641 OVVQOOPYLPBDSK-XFFZJAGNSA-N 315.323 3.138 10 10 DGCE Cc1ccc(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)c(Br)c1 1912186097 ZQNXHBPMTZCMSA-SECBINFHSA-N 309.167 3.282 10 10 DGCE CC[C@H]1c2ccsc2CCN1C(=O)Cc1ccc(O)c(O)c1 1290847741 HJOMBAIGPCARDG-ZDUSSCGKSA-N 317.410 3.238 10 10 DGCE COC[C@H](NCc1ccc(N(C)C)cc1)c1ccc(F)cc1 1459836178 MOKXPWOGKNMPCD-SFHVURJKSA-N 302.393 3.369 10 10 DGCE CCON(Cc1ccccc1)C(=O)/C=C/c1ccc(O)c(O)c1 1299057439 WMFVLARRSUHGNG-PKNBQFBNSA-N 313.353 3.091 10 10 DGCE CCCC(C)(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 1616867275 SVESEHSZNREXQW-QGZVFWFLSA-N 319.493 3.298 10 10 DGCE COc1ccc(N(CC(C)C)C[C@H]2CN(C3CC3)C(=O)O2)cc1 1618637564 NPYCBULLPXJLRV-KRWDZBQOSA-N 318.417 3.141 10 10 DGCE CCC(CC)(CO)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1540567440 MGIBRTWCNXQRTF-UHFFFAOYSA-N 318.461 3.044 10 10 DGCE Cc1ccc(COCC(=O)NCc2cccc(Cl)c2O)cc1 1472317211 ZUABQXYSCSQZRS-UHFFFAOYSA-N 319.788 3.187 10 10 DGCE FC(F)Oc1ccc2c(c1)CCCN2C[C@H]1C[C@@]12CCOC2 1559605499 UJKBZWHBUXVBNO-CXAGYDPISA-N 309.356 3.467 10 10 DGCE Cc1ncccc1NC(=O)c1cc2cc(O)c(O)cc2s1 1630049758 XXCJKJILAMWPNU-UHFFFAOYSA-N 300.339 3.268 10 10 DGCE CCN[C@@H](CCCNC(=O)OC(C)(C)C)c1ccccc1O 1928465513 QAHJPHCNJJNZAT-AWEZNQCLSA-N 308.422 3.348 10 10 DGCE c1cc2c(cc1CN[C@H](C1CCC1)[C@H]1CCCO1)CCCO2 1662971228 VCDQTDFDLZPDJV-RTBURBONSA-N 301.430 3.449 10 10 DGCE COc1ccc(CN[C@@H](C)[C@@H](C)NC(=O)C2CCCC2)cc1C 1674618665 MFLQRKUUKUBSPS-LSDHHAIUSA-N 318.461 3.177 10 10 DGCE C[C@H](N)c1ccc2c(c1)CCN2CCCOCC(F)(F)F 162092992 LDNANACHZQRFLK-NSHDSACASA-N 302.340 3.038 10 10 DGCE CCNCc1ccc(N(C)CCSC)cc1Br 233510748 ZQONXYIYFREAKX-UHFFFAOYSA-N 317.296 3.358 10 10 DGCE CNCc1ccc(N(CCOC)C(C)C)cc1Br 234411406 DLOJMLVLTVHNCK-UHFFFAOYSA-N 315.255 3.030 10 10 DGCE C[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2O)[C@@H]1C(=O)O 818631949 WQSXVSYPHHDRGM-UFBFGSQYSA-N 318.200 3.384 10 10 DGCE CCC1(F)CN(c2ccc([C@@H](C)N)cc2Br)C1 1944799607 PSXKFLFYKHONGW-SECBINFHSA-N 301.203 3.407 10 10 DGCE Oc1c(Br)cccc1CN[C@@H]1CC[C@@H]2[C@H]1C2(F)F 1967820417 RRQITAPJMLZBTO-FBIMIBRVSA-N 318.161 3.288 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@]2(CCCN(CCN=[N+]=[N-])C2)C1 1982241462 HPDDYRJNGXTQLR-MRXNPFEDSA-N 323.441 3.410 10 10 DGCE Oc1cccc(Br)c1CN1CCCC[C@H]1CF 2004478679 YQYNETGGCRFSGV-JTQLQIEISA-N 302.187 3.479 10 10 DGCE CN(c1ccc(CO)c(Br)c1)[C@@H]1CCC[C@@H]1F 2006782070 STBDSVMFLNQQDJ-QWHCGFSZSA-N 302.187 3.268 10 10 DGCE Nc1ccc(CC[C@H](O)c2ncc(C(F)(F)F)s2)cc1 2156068975 XXYRFSGAWLQXTQ-JTQLQIEISA-N 302.321 3.410 10 10 DGCE CCN[C@@H](C)c1cnc(SCC2(CC(=O)OC)CC2)s1 2159806275 UNPSRQSOZKLDCM-JTQLQIEISA-N 314.476 3.249 10 10 DGCE Oc1cccc(CNCCc2cccc(Br)c2)c1O 313695547 GPLDNQZIIXTWPF-UHFFFAOYSA-N 322.202 3.193 10 10 DGCE CO[C@H]1CCC[C@H]1N(C)Cc1cccc(Br)c1O 687460532 NBNSLEJOAYQJMG-OLZOCXBDSA-N 314.223 3.154 10 10 DGCE C[C@H]1CCN(c2ccc(CN)c(C(F)(F)F)c2)CCS1 379514092 UAYCDNIEFPVEEY-JTQLQIEISA-N 304.381 3.496 10 10 DGCE C[C@@H]1CCN([C@H](C)c2cc(Br)ccc2O)CCO1 720495888 NIMLHIHQEZHHIW-GHMZBOCLSA-N 314.223 3.327 10 10 DGCE CCc1ncncc1CNCc1cc(Cl)cc(Cl)c1O 2178832386 KXHHLIQYVPCVFU-UHFFFAOYSA-N 312.200 3.341 10 10 DGCE CNCc1cc(C2CCCCC2)n(-c2ccc(O)c(O)c2)n1 2069935744 UXHCAICOJKWOIQ-UHFFFAOYSA-N 301.390 3.051 10 10 DGCE Cc1ccc(O)c(Cn2nc(CO)c(Cl)c2C(F)(F)F)c1 2079162968 XUYYVMUNJBXQQD-UHFFFAOYSA-N 320.698 3.110 10 10 DGCE Cc1cccc(O)c1Cn1nc(CN)c(Cl)c1C(F)(F)F 2079211898 DSYPBFCXZNOVSN-UHFFFAOYSA-N 319.714 3.076 10 10 DGCE Cn1cc(C(=O)NCc2c(O)ccc3ccccc23)c(C2CC2)n1 1157041580 JVEDAKMPBVWIQJ-UHFFFAOYSA-N 321.380 3.086 10 10 DGCE C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C(C)(C)CN1 2102326216 YPUYTDCSAZQWLU-VIFPVBQESA-N 303.233 3.271 10 10 DGCE Cc1ccnc([C@H](N)c2ccc(N(C)C)cc2)c1Br 2106799263 ULXZBNHJYAEXIC-CQSZACIVSA-N 320.234 3.267 10 10 DGCE CN1CCCN(Cc2cc(Cl)cc(Cl)c2O)CCC1 2096282065 MYZYGGZLGMNWEN-UHFFFAOYSA-N 303.233 3.227 10 10 DGCE COc1ccc(CNCc2conc2Br)cc1C 2222851247 MOWOEVDSYYOPDT-UHFFFAOYSA-N 311.179 3.044 10 10 DGCE O[C@@H]1CCCc2cc(N3CC(SC(F)(F)F)C3)ccc21 2237484874 QNAUJVPMWQYOSU-CYBMUJFWSA-N 303.349 3.498 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@@H](F)[C@H]1CCOC1 2229990710 VJZLSDLPDDRXMI-QPUJVOFHSA-N 308.180 3.163 10 10 DGCE CC[C@@H](C)NCc1cc(F)c(N(C)C2CSC2)c(F)c1 2240010282 LMYRORVQXJDXLR-SNVBAGLBSA-N 300.418 3.405 10 10 DGCE Nc1ccc(CCOC2CCN(Cc3ccccc3)CC2)cc1 2244774141 UEOJREZDSKUWCS-UHFFFAOYSA-N 310.441 3.493 10 10 DGCE Oc1ccc(Br)cc1CNCCNc1ccccc1 2267811130 XGOWHQVIYMAJFD-UHFFFAOYSA-N 321.218 3.356 10 10 DGCE O=C1C(=Cc2ccccn2)SC(=S)N1[C@@H]1C[C@H]2CC[C@H]1C2 2296522319 AGXTXWJTLIWVMF-GMXVVIOVSA-N 316.451 3.471 10 10 DGCE CC[C@@H](N[C@@H]1CC[C@H](O)C1)c1cc(Br)ccc1O 2296538286 AJPGDEMTDHVSPF-NTZNESFSSA-N 314.223 3.109 10 10 DGCE C[C@@H](N)c1ccc(N2CCO[C@H](P(C)(C)=O)C2)cc1Cl 2289307262 RJLMEPIMAKELSK-QMTHXVAHSA-N 316.769 3.145 10 10 DGCE CC1=CC2=NC(=O)C(=Cc3c(C)[nH]c4ccc(C)cc34)C(=N)N2O1 2296769973 FVSDJTXCXJYFEL-UHFFFAOYSA-N 320.352 3.235 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)Nc1cccc2ncccc12 2307982070 MFPJPPATALURHM-UHFFFAOYSA-N 306.321 3.298 10 10 DGCE Cc1ccc2nc(C(=O)O)c(N=Nc3cccc(C(=O)O)c3)n2c1 2320768431 DMLXZZQIFMXUAW-UHFFFAOYSA-N 324.296 3.455 10 10 DGCE Cc1cc(O)ccc1N=Nc1c(C(=O)O)nc2c(O)cccn12 2320774462 XIVIDAQSYMSZKE-UHFFFAOYSA-N 312.285 3.168 10 10 DGCE COc1ccc(N=NN(C)CCc2ccncc2)cc1[N+](=O)[O-] 2330193133 PSHNWKAXDQYVPP-UHFFFAOYSA-N 315.333 3.172 10 10 DGCE CC[C@H]1C[C@@H]1C(=O)NCc1ccc(C)c(Br)c1O 2327590818 BXYVDHPLZFCUQM-ONGXEEELSA-N 312.207 3.125 10 10 DGCE CCC1(OC)CCC(Sc2nccs2)(C(=O)O)CC1 2351874321 JZBLWIVCVMWTCE-UHFFFAOYSA-N 301.433 3.428 10 10 DGCE Cc1ccc(CC(=O)NCCCSc2nccs2)s1 114375027 NEGPDZUCYOHDGG-UHFFFAOYSA-N 312.485 3.354 10 10 DGCE O=C1/C(=C/Nc2ccc(O)cc2)SC(=S)N1C1CCCC1 101345538 MCHSIKKOOAEPRO-LCYFTJDESA-N 320.439 3.448 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)N[C@H](C)c1ccncc1 66697467 DPDKWNSVARTAJH-CQSZACIVSA-N 313.401 3.470 10 10 DGCE COC(=O)/C=C/c1ccc(N2CCC[C@@H](C)CC2)c([N+](=O)[O-])c1 63282777 IJAMHUYATGLLNG-STMXVASLSA-N 318.373 3.407 10 10 DGCE O=Cc1sc2cc(I)ccc2c1O 306867606 PQLBNRKKSPDSAQ-UHFFFAOYSA-N 304.108 3.024 10 10 DGCE C[C@H](NCc1cn(C)nc1C(F)(F)F)c1cc(F)ccc1O 186152052 QBZIMHXJFILNKJ-QMMMGPOBSA-N 317.286 3.134 10 10 DGCE CN(CCOCC1CCC1)c1cc(Cl)c(CN)cc1F 2363800601 YWVVEKGTQRCYGP-UHFFFAOYSA-N 300.805 3.191 10 10 DGCE O=C1N=C(Nc2cccc(O)c2)S/C1=C/c1ccccc1O 139229301 LHAMHVPFXJRXEE-RIYZIHGNSA-N 312.350 3.180 10 10 DGCE COc1cc(Cl)cc(CN[C@H]2COc3ccccc32)c1O 228673764 MDUJETJSTBLPIH-ZDUSSCGKSA-N 305.761 3.278 10 10 DGCE C[C@H](c1ccccc1O)N(C)C(=O)c1ccc(Cl)cc1N 40332838 ASYWVQMBOSEEBM-SNVBAGLBSA-N 304.777 3.461 10 10 DGCE CN[C@H](c1ccc(N(C)C)cc1)c1c(Cl)cnn1C(C)C 97422055 LDIHHHXFURWBTC-OAHLLOKOSA-N 306.841 3.492 10 10 DGCE CC[C@H]1CCCC[C@@]1(NCc1cnc(SC)s1)C(=O)O 2371808513 QJDARWXCBHMIOM-HZMBPMFUSA-N 314.476 3.378 10 10 DGCE CC(=O)N(C(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(N)cc1 242806414 FGWOMLUYSRWMQE-UHFFFAOYSA-N 312.413 3.365 10 10 DGCE C[C@H](Nc1ccc2c(c1)CCO2)c1cc([N+](=O)[O-])ccc1O 273352957 CBOCJBKHZLYBTG-JTQLQIEISA-N 300.314 3.408 10 10 DGCE CCOc1cccc(CN2CCCC[C@@H]2c2ccnn2C)c1O 281253044 MRBCGYNUEIKKFH-MRXNPFEDSA-N 315.417 3.252 10 10 DGCE Cc1cc(CNCc2ccc(N3CCOCC3)c(F)c2)cs1 296333289 HXHDGPAYXVFCGZ-UHFFFAOYSA-N 320.433 3.322 10 10 DGCE CN(CCC(F)(F)C(F)F)Cc1ccc(F)c(F)c1O 2166707212 LNTUTIIWGXKLNR-UHFFFAOYSA-N 301.230 3.393 10 10 DGCE Cc1cc(CCNC(=O)c2cocn2)c(C)n1-c1ccccc1 729306122 IFJFMRXGLXQNMO-UHFFFAOYSA-N 309.369 3.055 10 10 DGCE Cc1cccc(CN[C@H](c2ccncc2)C2(CO)CCC2)c1O 827941542 GGPCEWYLFIXHSZ-GOSISDBHSA-N 312.413 3.089 10 10 DGCE CCC[C@H](C)[C@@H](CO)NC1CCN(c2ccc(OC)cc2)CC1 846018691 VZYZGCMBQZFBGA-HNAYVOBHSA-N 320.477 3.051 10 10 DGCE NC[C@]1(c2ccccc2)C[C@@H](N[C@H]2CCc3cccc(O)c32)C1 925880784 BHVJEDZVAPWISH-ABSDTBQOSA-N 308.425 3.028 10 10 DGCE CN1CCCc2cc(CN[C@@H]3CC[C@H]4COCC[C@H]4C3)ccc21 921625300 KIPMWMYCYBQSMA-YTQUADARSA-N 314.473 3.364 10 10 DGCE CCCN1CCC(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)CC1 756535932 SQMMYUUYGYOKQZ-ZDUSSCGKSA-N 321.421 3.073 10 10 DGCE CC[C@@H]1CN(Cc2c(O)cccc2Cl)CCN1CC(F)F 769513378 BYKQHVDIOKHZLS-LLVKDONJSA-N 318.795 3.207 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1ocnc1C(F)F 860049071 QGADNITVDYGUMT-UHFFFAOYSA-N 310.300 3.370 10 10 DGCE O=C(c1cccc([C@@H]2CCCOC2)c1)N1Cc2cccc(O)c2C1 871204297 XMPLBJIADWEJJQ-QGZVFWFLSA-N 323.392 3.442 10 10 DGCE Oc1ccc2ccncc2c1CN1CCC[C@@H](OC(F)F)C1 781153596 XUWOWYWHGXJQPI-GFCCVEGCSA-N 308.328 3.144 10 10 DGCE O=C(Nc1cccc(N2CCCC2)c1)c1cccc2nc[nH]c12 1136312607 LHLDEZMKCIDAEH-UHFFFAOYSA-N 306.369 3.415 10 10 DGCE CN(Cc1ccccc1O)C(=O)C[C@@H]1CCC2(CCC2)CO1 895756648 YYDKBOYROTVBHI-HNNXBMFYSA-N 303.402 3.090 10 10 DGCE CCCOc1cc(C)ccc1NC(=O)c1cccc(O)c1O 1136316112 RTJARVBNILEWGA-UHFFFAOYSA-N 301.342 3.447 10 10 DGCE CC1(NC(=O)c2cc3cc(O)c(O)cc3s2)CC(F)(F)C1 899197467 LAHBTYMCRGJFAQ-UHFFFAOYSA-N 313.325 3.230 10 10 DGCE COc1cc(C)cc(CN[C@H](c2ccccc2F)[C@H](C)O)c1O 895133506 KRPXGMZBAPTOJL-SJCJKPOMSA-N 319.376 3.060 10 10 DGCE Cc1cc(Br)cc(CN2CCC(F)CC2)c1O 689914110 XJYMZFBYSOIBQZ-UHFFFAOYSA-N 302.187 3.397 10 10 DGCE CCN(CCNCc1ccc(OC)c(C)c1)C(=O)C=C1CCC1 1273323692 BYTMJYQORWKHDR-UHFFFAOYSA-N 316.445 3.052 10 10 DGCE CN(CCCN=[N+]=[N-])C(=O)c1ccc(Br)s1 1912163973 QFBGWBWNDDOYIO-UHFFFAOYSA-N 303.185 3.283 10 10 DGCE CN[C@@H](C)c1ccc(N(Cc2ccccc2)[C@@H](C)CO)c(F)c1 1914360236 MAYRVGCVMQBHHJ-GJZGRUSLSA-N 316.420 3.494 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H](c3ccco3)C2)cc1 1617591657 AWSZSPRWUFXNIF-GFCCVEGCSA-N 312.329 3.072 10 10 DGCE Cc1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)nc1C 1542389531 FDSAWUUIVDYQKN-UHFFFAOYSA-N 309.413 3.011 10 10 DGCE COc1ccc(CN[C@H](C)CNC(=O)C(C)(C)C(C)C)cc1C 1491471430 WNJMBUANTUEUCZ-OAHLLOKOSA-N 320.477 3.280 10 10 DGCE O=C(Nc1nc2cccc(Cl)c2[nH]1)c1c(F)ccc(O)c1O 1648777601 UVHIYYKHTVYJPN-UHFFFAOYSA-N 321.695 3.019 10 10 DGCE Cc1cccc(-n2c(C)cc(C(=O)N3C[C@H]4COC[C@H]4C3)c2C)c1 1594480444 LGLITHCEDWDELZ-CALCHBBNSA-N 324.424 3.121 10 10 DGCE CC[C@@H](C)N1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 1858587881 GKGMIVJKSGAXFK-MRACZJACSA-N 321.423 3.415 10 10 DGCE CCc1ccccc1/N=N/N1CCN(C(=O)c2ccco2)CC1 1860480856 IDTMZPCCFUMQMM-VHEBQXMUSA-N 312.373 3.299 10 10 DGCE CN1CCN(c2ccc(/N=N/N3CCCCCC3)cc2)CC1 1860486150 PIQRCQXXZRQYFF-VHEBQXMUSA-N 301.438 3.313 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@@H]1C[C@@H]2C[C@@H]2CO1 1875664354 TXLPYTFZWBTAFV-XRNSZHNASA-N 302.201 3.214 10 10 DGCE [N-]=[N+]=NCCc1cc(F)c(F)cc1I 1951360374 BZJCJCGKECOLJA-UHFFFAOYSA-N 309.057 3.422 10 10 DGCE COc1cc(Cl)cc(CN[C@@H]2CC[C@@H]3[C@@H]2C3(F)F)c1O 1967819145 HHVRCDTYIDQPNC-FOGDFJRCSA-N 303.736 3.188 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H]1CNCc1c(O)cccc1F 1976876426 AZYBZVPJTMONDK-GFCCVEGCSA-N 324.396 3.020 10 10 DGCE CC(C)(CO)N(Cc1ccccc1)c1ccc2c(c1)CC[C@H]2O 1986603199 SKKLIVIUSDXLFY-LJQANCHMSA-N 311.425 3.444 10 10 DGCE CCCN[C@@H](c1ccccc1O)[C@H](O)c1scnc1Cl 2148165482 SQDUSWFFTZPVNX-RYUDHWBXSA-N 312.822 3.276 10 10 DGCE CN(Cc1ccc(Br)cc1O)[C@H]1CCC[C@@H]1F 2006800150 AYGSGLBCSQLBEN-RYUDHWBXSA-N 302.187 3.477 10 10 DGCE C[C@]1(C(F)F)C[C@H]1NCc1cc(Br)ccc1O 2008230472 OEVWOBVQWMFPTD-PWSUYJOCSA-N 306.150 3.288 10 10 DGCE C[C@H](N)Cc1cnc(Sc2ncnc3ccccc23)s1 2155374365 ZTRFOGZEQHSEAI-VIFPVBQESA-N 302.428 3.127 10 10 DGCE Nc1cccc(Br)c1N[C@H]1CC[C@H]2CC[C@H]1OC2 2027942307 BNZZOEWMNZGHSM-TVYUQYBPSA-N 311.223 3.401 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@H]1C[C@H](n2cccn2)C1 2159854911 KTVYVCAYHLMHFA-HAQNSBGRSA-N 312.200 3.389 10 10 DGCE COc1ccc(Br)c([C@@H](N)c2ccccc2O)c1 2029560715 VOMPGQTVWSHCML-AWEZNQCLSA-N 308.175 3.211 10 10 DGCE CC1(C)[C@H]2CN(c3ccc(CN)c(Br)c3F)C[C@@H]21 379542955 SVLPVHNOLGFJCP-UWVGGRQHSA-N 313.214 3.139 10 10 DGCE Cc1cc(O)c([C@@H](C)n2nc(C(C)(C)C)c(N)c2N)cc1C 2080030669 QCPCWAYKKDEHIQ-LLVKDONJSA-N 302.422 3.277 10 10 DGCE CNCc1ccc(N2C[C@@H]3C[C@@H]3[C@H]3C[C@H]32)c(Br)c1 2053742706 SOROFILXSBWIEX-UUIJZJDISA-N 307.235 3.013 10 10 DGCE CC[C@H](NC[C@H]1C[C@@H]1OC)c1cc(Br)ccc1O 2067900192 HGDWZRBKRHZPAZ-LQJRIPTKSA-N 314.223 3.230 10 10 DGCE Nc1ccc(CNc2cc(F)cc(Br)c2N)cc1 2071656391 JZFJHLWFOZISJK-UHFFFAOYSA-N 310.170 3.365 10 10 DGCE C[C@H](N)c1ccc(N(C)C[C@]2(C)CSCCO2)cc1Cl 2201257539 PIOAYAIGDRMEID-XHDPSFHLSA-N 314.882 3.318 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)c1csc(Br)c1 2213585127 KTAUICRUTZSHOU-HTQZYQBOSA-N 315.196 3.472 10 10 DGCE CC[C@H](C)NCc1cnc(S[C@@H]2CCC[C@@H](O)C2)s1 2231443288 GKWWAHUJBBENAJ-QJPTWQEYSA-N 300.493 3.427 10 10 DGCE Cc1cc(O)ccc1NS(=O)(=O)C=Cc1ccc(F)cc1 2297774946 SWUNVOZBIFAKDB-UHFFFAOYSA-N 307.346 3.252 10 10 DGCE CC(C)C[C@H](C)NC(=O)C=Cc1ccc(N2CCOCC2)cc1 2303358475 QSSCQXBYPULDHD-INIZCTEOSA-N 316.445 3.087 10 10 DGCE Cc1ccc(CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]32)c(O)c1Br 2352640037 FHGRMGAJMBEEEU-JLLWLGSASA-N 324.218 3.125 10 10 DGCE c1ccc(COc2ccc(N3CCN[C@@H](C4CC4)C3)cc2)cc1 309822369 PXLKMNLKRYKAIB-HXUWFJFHSA-N 308.425 3.454 10 10 DGCE O=C1N=C(Nc2ccccc2O)S/C1=C/c1ccc(O)cc1 103929769 UBSRZJCJTKODBX-NTEUORMPSA-N 312.350 3.180 10 10 DGCE Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nccs1 52914329 YXYXBJFNSKODBY-VIFPVBQESA-N 323.399 3.479 10 10 DGCE CC(C)N(CCCO)c1ccc([C@H](C)N)cc1Br 61697524 YLOZFGAZBFJIMV-NSHDSACASA-N 315.255 3.066 10 10 DGCE CC(C)=CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 75290246 ZXUSJOLXYROZPK-UHFFFAOYSA-N 305.333 3.367 10 10 DGCE Cc1cc(OCC(=O)N(C)c2ccc(N)cc2)ccc1Cl 37275268 DTPMZQRVFMWKGJ-UHFFFAOYSA-N 304.777 3.272 10 10 DGCE CCN[C@@H](C)c1ccc(N(CCOC)CCOC)cc1Cl 78905036 YNPAFITWQYQBBQ-ZDUSSCGKSA-N 314.857 3.110 10 10 DGCE CNCc1ccc(OC)c(C[S@@](=O)c2cccc(Cl)c2)c1 81994031 BSHXHBPNEHGYAP-NRFANRHFSA-N 323.845 3.376 10 10 DGCE Oc1ccccc1CNc1ncnc(Cl)c1Br 229337296 GXPTVDNGQMKFIV-UHFFFAOYSA-N 314.570 3.210 10 10 DGCE c1cc(N2CCCCC2)ccc1CNC[C@H]1CCN(C2CC2)C1 236674192 CXWUMAODVHQFJF-GOSISDBHSA-N 313.489 3.251 10 10 DGCE CC(C)C[C@H](O)[C@H](N)c1ccc(OCc2ccccc2)cc1O 95814269 KCSRGPYBCASJAT-RBUKOAKNSA-N 315.413 3.378 10 10 DGCE CN(C)c1ccc(CN2CCC[C@H](c3ccncn3)C2)cc1F 367474672 MKEKPXXRHSPAAP-HNNXBMFYSA-N 314.408 3.061 10 10 DGCE O=C(/C=C/c1ccco1)NCc1cc(Br)ccc1O 804739177 UFJJEPBFLHVFEJ-GQCTYLIASA-N 322.158 3.077 10 10 DGCE C[C@H]1CCN(C(=O)/C=C\c2cnccn2)c2ccccc2S1 97161592 GOJILPGCUOYYPJ-FWWRYZNZSA-N 311.410 3.407 10 10 DGCE CN[C@@H](c1ccc(N(C)C)cc1)[C@H](O)c1csc(Cl)c1 2163134254 WNFGLSVYRYJHTH-LSDHHAIUSA-N 310.850 3.462 10 10 DGCE CCN(CC)c1ccc(CNCC[C@H](O)C(F)(F)F)cc1F 809743043 JQCROTHRAVPVDX-AWEZNQCLSA-N 322.346 3.075 10 10 DGCE CN(Cc1ccccc1)C1CCN(Cc2ccc(N)cc2)CC1 717588242 KXJHIDYXDJEGTC-UHFFFAOYSA-N 309.457 3.365 10 10 DGCE CC(C)(C)[C@H]1CCN(Cc2cc(Cl)c(F)cc2O)C[C@H]1O 816560693 XMVVMXNXNDFUIL-XHDPSFHLSA-N 315.816 3.414 10 10 DGCE CC(C)(C)OC(=O)NC[C@H](COc1ccc(N)cc1)C(F)F 1952842720 JSWIFUBJAMDOMI-SNVBAGLBSA-N 316.348 3.054 10 10 DGCE O=C(O)[C@@H]1CC=C[C@@H](NCc2ccc(N3CCCCC3)cc2)C1 904035092 CUZHEOVQYKAXCZ-IAGOWNOFSA-N 314.429 3.186 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC[C@@H](C)F 838619925 OWPPBWJWECXDOG-CQSZACIVSA-N 309.429 3.421 10 10 DGCE CC(=O)NCC[C@H]1CCCN(Cc2c(O)cc(C)cc2Cl)C1 840945261 GVROHOFODQLOAI-CQSZACIVSA-N 324.852 3.092 10 10 DGCE C[C@H](N[C@H]1CCC[C@@H](CO)C1)c1cc2c(cc1O)CCCC2 840895422 LRNBEAAHXAZSIL-VBQJREDUSA-N 303.446 3.473 10 10 DGCE O=C(NCc1ccccc1O)[C@@H]1C[C@H]1c1cc(F)ccc1F 743326722 HTGUCGRJFKRRHG-GXTWGEPZSA-N 303.308 3.090 10 10 DGCE C[C@@H](NCCc1cn(C)cn1)c1ccc(N2CCCCC2)cc1 840769359 YIOOLQNQTHBBRL-MRXNPFEDSA-N 312.461 3.304 10 10 DGCE CC(C)[C@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CC1 852649306 GZQMAQIHKBGKDP-KRWDZBQOSA-N 303.450 3.329 10 10 DGCE c1cc(N2CCOCC2)ccc1CNCC[C@@H]1CC[C@@H]2C[C@H]12 922440615 SNHQPHGIWVQFTK-YQVWRLOYSA-N 300.446 3.049 10 10 DGCE Cc1ccc([C@H](C)NCc2cnc(C(F)(F)F)nc2)c(O)c1 850486311 RXCOCJBYQVMRQA-JTQLQIEISA-N 311.307 3.360 10 10 DGCE CC[C@@H](N[C@@H]1CC=C(C(=O)OC)C1)c1cc(Cl)ccc1O 858474660 STGIKMBKXKBBRR-TZMCWYRMSA-N 309.793 3.348 10 10 DGCE C[C@@H](NC[C@@H](n1cccn1)C(F)(F)F)c1ccc(F)cc1O 858449460 MAJBGEIVWIKEMN-NOZJJQNGSA-N 317.286 3.182 10 10 DGCE C[C@H](NC(=O)NCCCCCN1CCCC1)c1ccccc1O 868650878 CVIQKKZIQAATHE-HNNXBMFYSA-N 319.449 3.019 10 10 DGCE CCN(CC)c1ccc(CNc2ncn(C(C)(C)C)n2)cc1 765950275 QWHQCVUAXBNPRJ-UHFFFAOYSA-N 301.438 3.491 10 10 DGCE CCOc1ccc(CN(CC)CCc2nccs2)c(O)c1 769517650 RFRPTKQPAGLLNI-UHFFFAOYSA-N 306.431 3.312 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)Cc1ccccc1Br 703091466 WMDFZBYJMLHHEZ-LLVKDONJSA-N 323.194 3.293 10 10 DGCE CN(C)c1ccc(CN[C@@H]2CCC[C@H]([C@H]3CCOC3)C2)cc1 798491538 AORPQRUTOFJVSI-OKZBNKHCSA-N 302.462 3.438 10 10 DGCE Oc1c(F)cccc1CNC1CC(OCc2ccccc2)C1 716235595 BBHZXAKUYOGAJK-UHFFFAOYSA-N 301.361 3.369 10 10 DGCE C[C@H](O)[C@H](NCc1ccc(N2CCCC2)cc1)c1ccccc1 1327263995 NRICZDYLHXESRX-JXFKEZNVSA-N 310.441 3.499 10 10 DGCE CC1(C)CO[C@@H](CN(Cc2ccccc2O)C[C@H]2CCCO2)C1 1192012752 JXWSEVNAYDYOAR-IAGOWNOFSA-N 319.445 3.188 10 10 DGCE CCN[C@@H](c1ccccc1O)[C@@]1(C)CCN1C(=O)OC(C)(C)C 1912946831 XRLSUYQJCGQXLE-MAUKXSAKSA-N 320.433 3.442 10 10 DGCE COc1ccc(CN[C@@H](CC(=O)OC(C)C)C(C)C)cc1C 1460312139 FFWCDBAEVGRIKR-INIZCTEOSA-N 307.434 3.460 10 10 DGCE CCN(Cc1ccncc1)c1ccc(CN)c(Br)c1 228149640 MXEJVORYJQYQKW-UHFFFAOYSA-N 320.234 3.329 10 10 DGCE C[C@@H](NC(=O)c1cc(Cl)ccc1N)c1ccc(N(C)C)cc1 1556260947 WESXAYVNHGLKDB-LLVKDONJSA-N 317.820 3.479 10 10 DGCE Cc1ccc(C(=O)N[C@]2(C)CCCc3ccccc32)c(O)c1O 1623762353 MLYDKVZTOJEMRX-LJQANCHMSA-N 311.381 3.388 10 10 DGCE CC[C@@H](NC(=O)c1cc(C)ccc1-n1c(C)ccc1C)[C@@H](C)O 1635346957 VTNPMNDMBUYGCT-NVXWUHKLSA-N 314.429 3.292 10 10 DGCE CN(C)c1ccc(CNC(=O)c2ccc(Cl)cc2N)cc1F 1631437966 JCBPAQICSGPOTC-UHFFFAOYSA-N 321.783 3.057 10 10 DGCE COc1ccc(CNC(=O)c2cccc3cccc(O)c23)c(O)c1 1568097418 JUMNWDROGZJFQT-UHFFFAOYSA-N 323.348 3.190 10 10 DGCE COc1ccc(CN[C@H](C)CNC(=O)C2CCCCC2)cc1C 1566994548 GWHBGUKNGYJKRP-OAHLLOKOSA-N 318.461 3.178 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](C[C@@H](N)c2ccccc2O)C1 1928472806 UQWBQHWLRUWRJQ-TZMCWYRMSA-N 306.406 3.039 10 10 DGCE Cc1[nH]c2c(C(=O)NCc3cc(O)ccc3O)cccc2c1C 1644752440 FQUJYIZBKVYEIH-UHFFFAOYSA-N 310.353 3.126 10 10 DGCE COc1ccc(N(C)C[C@@H](Cc2ccccc2)OC)c(OC)c1 1652957019 DKHPPZWFUFSZFJ-QGZVFWFLSA-N 315.413 3.398 10 10 DGCE Cc1c(N(C)c2ccc(Br)cc2)ccnc1CCN 2140749114 PMFQHTOYFKJFKE-UHFFFAOYSA-N 320.234 3.422 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1CCCCN1CCCCN=[N+]=[N-] 1962302641 BGUWPYOEZPXXIV-ZDUSSCGKSA-N 311.430 3.456 10 10 DGCE CC(C)(C)OC(=O)NCCN(CCCCN=[N+]=[N-])CC1CC1 1962304991 PZYGRZWTQXDJLD-UHFFFAOYSA-N 311.430 3.314 10 10 DGCE COc1ccc(O)c(CNC(=O)/C=C/c2cc3ccccc3o2)c1 155937782 OVHBWKZPGLLJAR-VQHVLOKHSA-N 323.348 3.477 10 10 DGCE CC(C)(C)OC(=O)N1CCC(=O)[C@H]1c1cc(Cl)ccc1O 1951852172 CGBQVAPDLFBWDL-CYBMUJFWSA-N 311.765 3.297 10 10 DGCE CC(C)(C)OC(=O)N1CCC(CN(CCN=[N+]=[N-])C2CC2)CC1 1982242798 RJGRIPAGBFWMQW-UHFFFAOYSA-N 323.441 3.408 10 10 DGCE O=c1c2cc(Cl)ccc2nc2n1CCC2=Cc1cccnc1 2040454181 KOTHRODGJMDABE-UHFFFAOYSA-N 309.756 3.389 10 10 DGCE [N-]=[N+]=NCCNC(=O)CCCc1ccc(Br)s1 701338913 XXNQLYKCRWJEEC-UHFFFAOYSA-N 317.212 3.260 10 10 DGCE C[C@@H](NCc1cncc(Br)c1)c1ccc(O)cc1O 703002920 KNTCUIRRLWVZTM-SECBINFHSA-N 323.190 3.106 10 10 DGCE Oc1c(F)cc(Br)cc1CNOC1CCCC1 715758058 HYGIENTUCHHMEE-UHFFFAOYSA-N 304.159 3.258 10 10 DGCE CC(C)(C)n1nc(C(=O)Nc2ccc(O)c(O)c2)cc1C1CC1 2064937166 NNJQTBSEEOXQBB-UHFFFAOYSA-N 315.373 3.179 10 10 DGCE COC(=O)c1cc(-c2ccccc2)nn1Cc1cc(C)ccc1O 2069861235 YBZXJRXMYQRRCL-UHFFFAOYSA-N 322.364 3.399 10 10 DGCE CNCc1ccc(N(C)[C@H]2CS[C@@H](C(F)(F)F)C2)cc1 2189460797 DYXHXFOZEYPYSC-CHWSQXEVSA-N 304.381 3.279 10 10 DGCE Oc1c(F)cc(Br)cc1CNC[C@H]1C[C@@H]1C(F)F 2041783538 KNWPDAPHPWEWMT-MUWHJKNJSA-N 324.140 3.285 10 10 DGCE CC1(C2CC2)CN(c2ccc(CN)c(Br)c2F)C1 2044960095 AWRXBOMIHOYJLF-UHFFFAOYSA-N 313.214 3.283 10 10 DGCE CC[C@@](C)(COC)NCc1cc(Br)cc(F)c1O 2067436188 DIVZFTVMVXRJME-ZDUSSCGKSA-N 320.202 3.199 10 10 DGCE Cc1ncoc1CN(C)c1ccc([C@@H](C)N)c(Br)c1 2105600969 YZAKHOHQOZPYIN-SECBINFHSA-N 324.222 3.402 10 10 DGCE CSc1ncc(CNc2ccc(C(N)=S)c(C)c2)s1 2269242938 SEPWXPWURXMCSY-UHFFFAOYSA-N 309.485 3.420 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN(C(=O)c2cc(Br)co2)C1 2258129840 YUAVPBWDEXDQGU-MRVPVSSYSA-N 313.155 3.205 10 10 DGCE NCc1ccc(N2C[C@@H]3[C@H]4CC[C@H](C4)[C@H]3C2)c(Br)c1 2264896243 WDLMGPNCORCAAN-XJFOESAGSA-N 321.262 3.390 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)NCCc1ccccc1Cl 2307986926 NSQDRVGVDVPNBN-UHFFFAOYSA-N 317.772 3.123 10 10 DGCE CN(Cc1c(O)cccc1Br)C[C@H]1C[C@@H](F)C1 2307369964 GVFQJAAOOHUFOB-AOOOYVTPSA-N 302.187 3.335 10 10 DGCE Cc1ccc(CN[C@H]2C[C@H](CF)C2)c(O)c1Br 2307568460 DTPRPGWOLRLRTM-HOMQSWHASA-N 302.187 3.301 10 10 DGCE Cc1ccc(CN2CCOCC[C@@H]2C)c(O)c1Br 2327571591 PYPZVLLZFPJUPV-NSHDSACASA-N 314.223 3.074 10 10 DGCE COC[C@H](C)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 103432544 ICDHIWOLXYPPKB-HNNXBMFYSA-N 318.461 3.354 10 10 DGCE CCN1C(=O)/C(=C/c2ccc3cccnc3c2)SC1=S 20414011 CXKUPSNKVGKTBL-LCYFTJDESA-N 300.408 3.456 10 10 DGCE CN(C)c1ccc2cc(NC(=O)Cc3ccc(N)cc3)ccc2n1 178734746 IZNHPBDULDLNKV-UHFFFAOYSA-N 320.396 3.064 10 10 DGCE [N-]=[N+]=NCCNC(=O)c1ccc(Br)cc1Cl 42012682 NLBYAZWABVPZSK-UHFFFAOYSA-N 303.547 3.143 10 10 DGCE Cc1nc(C[C@@H]2CCCN(Cc3cccc(Cl)c3O)C2)no1 180000050 IODOEWZGAGGKAW-LBPRGKRZSA-N 321.808 3.192 10 10 DGCE Cc1ncsc1CN(C)c1ccc(/C=C\C(=O)O)cc1F 216023454 SISBRKPYOHNPLI-XQRVVYSFSA-N 306.362 3.325 10 10 DGCE O=C(Nc1ccc(O)cc1C(=O)O)c1ccc(F)cc1Cl 48846945 SZCUSOQDFYSEBX-UHFFFAOYSA-N 309.680 3.135 10 10 DGCE Oc1c(Br)cc(Br)cc1[C@@H]1CCCN1 238709726 NKWHYXACQPMVDT-VIFPVBQESA-N 321.012 3.342 10 10 DGCE CN1CCc2cc(CN[C@H]3CCN(Cc4ccccc4)C3)ccc21 383448053 GQCGPJVWQNGHDQ-FQEVSTJZSA-N 321.468 3.043 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](F)C[C@H]1COc1ccc(N)cc1 1953013064 QDSPFWXGPNXLQU-JSGCOSHPSA-N 324.396 3.385 10 10 DGCE CCOc1ccc(O)c(CN[C@@H]2CCCC23CCOCC3)c1 282566763 FCAHTXOQLNVNFP-QGZVFWFLSA-N 305.418 3.230 10 10 DGCE C[C@@H](CNCc1c(O)ccc2ccccc12)CC1(C)OCCO1 716017621 CNSFHWNIDCZYEQ-CQSZACIVSA-N 315.413 3.424 10 10 DGCE Cc1cc(C)c([C@@H](C)NCc2c3c(nn2C)CCCC3)c(O)c1 815627918 NGSYGPGKEQTVDA-CQSZACIVSA-N 313.445 3.472 10 10 DGCE CCCN(CCC)c1ccc(CN[C@@H]2CC[C@H](C(N)=O)C2)cc1 825280213 YTEGOSSYILPNCW-DLBZAZTESA-N 317.477 3.057 10 10 DGCE CCCCCc1cc(C(=O)N(C)Cc2ccccc2O)n[nH]1 830140902 KHFYPGSBQNMUII-UHFFFAOYSA-N 301.390 3.120 10 10 DGCE Cc1cc(O)c(CN[C@@H](C)c2nnc3ccccn23)c(Cl)c1 840871404 DZZINOOFJFQRSW-NSHDSACASA-N 316.792 3.248 10 10 DGCE Oc1ccc2ccncc2c1CN1CCC[C@H]([C@H]2CCOC2)C1 747827256 NRBLAOYMANGHHD-HOTGVXAUSA-N 312.413 3.189 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@H]1CCCc2n[nH]cc21 840893778 LSIXVXPUXLNSJB-KDOFPFPSSA-N 312.461 3.382 10 10 DGCE C[C@@H]1[C@@H]2CNC[C@H]2CN1c1ccc(OCc2ccccc2)cc1 1899860945 PWXGSYDSQNHMIK-SYNHAJSKSA-N 308.425 3.310 10 10 DGCE CC[C@@H](C)CCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 852450674 RFXDPVWDQIWCCD-HUUCEWRRSA-N 319.449 3.009 10 10 DGCE C[C@H](Cc1ccco1)C(=O)N(C)Cc1ccc(N(C)C)cc1 854323501 AKNSLYWIHHUDKW-CQSZACIVSA-N 300.402 3.183 10 10 DGCE C/C=C(/C=C\C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)CC 855233845 NYLYEJYFNDCIGC-ZOOOQLCUSA-N 314.429 3.303 10 10 DGCE Cc1cncc(CCNCc2cc(Cl)cc(Cl)c2O)n1 850390318 FFEXFSDNCAOONZ-UHFFFAOYSA-N 312.200 3.130 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CC[C@@H](C)O[C@@H](C)C2)c1O 852589114 OGPFYWOZGFVXNA-MNOVXSKESA-N 311.809 3.248 10 10 DGCE C[C@@H]1C[C@H](NCc2ccc(N3CCCCC3)cc2)c2ncnn21 850352410 VAQXDODHEZLJAM-PBHICJAKSA-N 311.433 3.064 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1C[C@@H](C)[C@H]1C 861836963 NOTQFGLFESJLDC-TZMCWYRMSA-N 310.397 3.387 10 10 DGCE CN(C)c1cc(F)c(CNC[C@@H]2CCC23CCOCC3)cc1F 865777179 UMJZYVSWRSLPFE-AWEZNQCLSA-N 324.415 3.327 10 10 DGCE COc1cc(Br)cc([C@@H](C)NC2(C)CC2)c1O 1118387030 LDAFLWGFKPHGAY-MRVPVSSYSA-N 300.196 3.366 10 10 DGCE Cc1cccc(NC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)c1 775835466 ZINKVCVPVNHFOS-HNNXBMFYSA-N 311.429 3.350 10 10 DGCE Oc1cc2c(cc1CN1CCC[C@H](OC(F)F)C1)CCCC2 781150876 GOGLLQZQYWRIHK-HNNXBMFYSA-N 311.372 3.475 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N(CC(F)F)C2CCC2)cc1 899785083 QOKCZZCXARMFFJ-UHFFFAOYSA-N 310.304 3.109 10 10 DGCE Oc1ccc(-c2ccccc2)cc1CNCc1ncccc1O 793256235 LERZTHFQPQMSFX-UHFFFAOYSA-N 306.365 3.450 10 10 DGCE Oc1c(Br)cc(Cl)cc1CNc1cnns1 708190642 MFEHROZTFMJRKE-UHFFFAOYSA-N 320.599 3.272 10 10 DGCE CN1CC[C@H](NCCCSc2nccs2)[C@H]2CCC[C@@H]21 796772782 VUMDGBSGUJPVKT-RDBSUJKOSA-N 311.520 3.088 10 10 DGCE CCc1ccnc(CNCc2c(O)cccc2Br)c1 1912381763 PPTTVHSUTSHTQX-UHFFFAOYSA-N 321.218 3.402 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)NCc1cc2ccccc2s1 1450200133 ROHDZIGVHDGWAB-UHFFFAOYSA-N 313.378 3.171 10 10 DGCE CCN(Cc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCNC1 110935846 UIJFHALMSKLOCX-GFCCVEGCSA-N 303.233 3.273 10 10 DGCE Cc1ccc(N(C)C(=O)c2cccnc2-c2cnn(C)c2)cc1 1464687042 YPAKXXFRJZRDBN-UHFFFAOYSA-N 306.369 3.067 10 10 DGCE Cc1ccc(C)c(SCC(=O)NCc2cc(O)ccc2O)c1 1637122440 GYEZZFQKORQPCZ-UHFFFAOYSA-N 317.410 3.123 10 10 DGCE CC(C)(C)c1cc(C(=O)NCc2c(O)ccc3ccccc23)[nH]n1 1639383816 AXFRYGKXEMUNCE-UHFFFAOYSA-N 323.396 3.496 10 10 DGCE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)[C@@H](N)c1ccccc1O 1928477309 RZRVAULCUBSEFG-CQDKDKBSSA-N 308.422 3.331 10 10 DGCE CCN(C(=O)Cc1ccc(O)c(O)c1)c1ccc(Cl)cc1 1645197730 DPVJTISCZDTQKR-UHFFFAOYSA-N 305.761 3.347 10 10 DGCE COc1ccc(N(C)CCN(C)CC[C@@H]2C[C@H]2C2CC2)cc1 1654948204 ZPAVITMOLILNSW-APWZRJJASA-N 302.462 3.499 10 10 DGCE O=C(NCc1c(O)cccc1O)c1cc(Cl)sc1Cl 1652623233 QPEMLYLSURVVOO-UHFFFAOYSA-N 318.181 3.396 10 10 DGCE NC(=O)c1cccc2c1N[C@H](c1ccc(O)cc1)[C@H]1CC=C[C@H]21 13636778 OGCQFBRZMKKBNM-GRDNDAEWSA-N 306.365 3.318 10 10 DGCE Cc1cc(C(=O)Nc2ccc(Cc3ccc(N)cc3)cc2)n[nH]1 1866051132 LJMMJDWVIFIHLG-UHFFFAOYSA-N 306.369 3.143 10 10 DGCE C[C@H](CCNC(=O)OC(C)(C)C)N(C)CCc1ccc(N)cc1 1977926372 PBVUJOTXMFOBSL-CQSZACIVSA-N 321.465 3.046 10 10 DGCE CC[C@@](C)(CN)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 1990494549 KUAWBBCURVQNPC-SFHVURJKSA-N 321.465 3.275 10 10 DGCE CC[C@@H](C)[C@H](NCc1cc(Cl)cc(Cl)c1O)C(=O)OC 37103115 UIGDVFOJCVGSRB-PELKAZGASA-N 320.216 3.376 10 10 DGCE C[C@H]1CCOCC[C@@H]1N(C)c1cc(Cl)c(CN)cc1F 2177383422 MPNFTIWKFHXFJB-HZMBPMFUSA-N 300.805 3.189 10 10 DGCE CC(C)Cc1cc(CN(C)C)n(Cc2cc(F)ccc2O)n1 2070201392 KJJMFKCMRUNHRX-UHFFFAOYSA-N 305.397 3.036 10 10 DGCE CCN[C@@H](C)c1cnc(Sc2nnc(CC)s2)s1 2041814891 LKLZWIMAEJPAEO-ZETCQYMHSA-N 300.478 3.379 10 10 DGCE CN(C)c1ccc(OCc2ccc(Br)cn2)cc1 2221880714 AUZOEAOSJXZALH-UHFFFAOYSA-N 307.191 3.489 10 10 DGCE CN(Cc1cc(Cl)cc(Cl)c1O)c1cccn(C)c1=O 2233244660 VZJMKWLNTZKGFW-UHFFFAOYSA-N 313.184 3.034 10 10 DGCE CSc1ncc(CNC[C@@H]2CC[C@H](N)[C@H](C)C2(C)C)s1 2284708632 BVECFUXIPAZCMR-GVXVVHGQSA-N 313.536 3.354 10 10 DGCE CSc1ncc(CN[C@@H](C)c2cn(C)nc2C(F)F)s1 2286519004 MOGUALXLKQMKII-ZETCQYMHSA-N 318.418 3.387 10 10 DGCE NCc1ccc(N2CC[C@@](F)(C(F)F)C2)c(Br)c1 2315877983 OGMDNTFYZHZYLF-LBPRGKRZSA-N 323.156 3.091 10 10 DGCE Cc1ccc(CN[C@@H]2C[C@H](C)O[C@@H]2C)c(O)c1Br 2327612313 LCKSBOBESYAIHK-HOSYDEDBSA-N 314.223 3.119 10 10 DGCE CC(C)c1nnsc1CN(C)c1ccc(CN)c(Cl)c1 2360872698 BSZFRWDMBYZOFJ-UHFFFAOYSA-N 310.854 3.410 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H](N)C[C@H]1c1ccc(Cl)cc1O 1952452643 NXLLEHOCFBEFLR-PWSUYJOCSA-N 312.797 3.055 10 10 DGCE CC(C)(CNC(=O)CCc1ccc(N)cc1)c1cccs1 127498796 WWYPHHKCORJEBL-UHFFFAOYSA-N 302.443 3.357 10 10 DGCE C[C@@H]1c2ccsc2CCN1c1cc2c(cc1N)OCCO2 42740443 DHAONKJORHAZHJ-SNVBAGLBSA-N 302.399 3.225 10 10 DGCE Cc1nc(C)c([C@@H](C)NC(=O)CCc2ccc(N)cc2)s1 40517480 RHQIJZZKURYAJZ-LLVKDONJSA-N 303.431 3.152 10 10 DGCE CCCCCNC(=O)N1CCN(c2ccc(OCC)cc2)CC1 244163316 UZFUVGPTRZSOCN-UHFFFAOYSA-N 319.449 3.107 10 10 DGCE COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H]3C[C@H]3C)ccc21 343259518 MQCDKKHLHXWOEF-WBMJQRKESA-N 314.429 3.290 10 10 DGCE CCOc1ccc(O)c(CN2CCCC[C@H](CCOC)C2)c1 368673632 IIWJDMGVDVEVQE-OAHLLOKOSA-N 307.434 3.430 10 10 DGCE O=[N+]([O-])c1ccc(O)c(CN[C@H]2C[C@]2(F)c2ccccc2)c1 818230258 OXLKQMOHEOUWOH-HOTGVXAUSA-N 302.305 3.027 10 10 DGCE Nc1ccc(CCNC(=O)N2CCC[C@]3(CC=CCC3)C2)cc1 841955085 ULSSVFYBWLXAIO-LJQANCHMSA-N 313.445 3.343 10 10 DGCE CCN(CC)c1ccc(CNc2nccc3c(O)ncnc23)cc1 848646398 HTMMKFGVCFEDNA-UHFFFAOYSA-N 323.400 3.189 10 10 DGCE Cc1cc(O)c(CN(C)C2C[C@@H]3CC[C@H](C2)N3C)c(Cl)c1 840946989 JDJAVQCIGUXCPQ-PBWFPOADSA-N 308.853 3.411 10 10 DGCE Cc1cc(N(C)C)ccc1CN[C@@H](C)c1cc2n(n1)CCCC2 842842678 ZTJLREAJUXDQSQ-HNNXBMFYSA-N 312.461 3.445 10 10 DGCE CC[C@@H](N[C@H]1CC=C(C(=O)OC)C1)c1ccc(N(C)C)cc1 858474230 XCPDBSDDFOPJCN-DOTOQJQBSA-N 302.418 3.055 10 10 DGCE COc1ccc(N2CC[C@H](NCc3cccc(F)c3)C2)cc1 850346836 YDIWZXCKGLRJBW-INIZCTEOSA-N 300.377 3.203 10 10 DGCE CN(C)c1ccc(CNCc2c(C3CCC3)cnn2C)cc1F 850099654 SAOJQPILEGSZGR-UHFFFAOYSA-N 316.424 3.183 10 10 DGCE Nc1ccc(CCNC(=O)N[C@@H](c2ccccn2)C2CCC2)cc1 861639760 GWSIGAVPDGHSPA-GOSISDBHSA-N 324.428 3.047 10 10 DGCE C[C@H]1CN(Cc2cc(F)c(N(C)C)cc2F)C2(CCC2)CO1 862403941 YOTPOGMDNUAVDA-LBPRGKRZSA-N 310.388 3.174 10 10 DGCE CN(C)c1ccc(CN2CC[C@@H](C(=O)OC(C)(C)C)C2)cc1F 769503362 HYUWTCADSOHVFH-CQSZACIVSA-N 322.424 3.055 10 10 DGCE Cc1ccccc1CO[C@H](C)C(=O)N1Cc2cccc(O)c2C1 871207263 LRIYLLYEGKARLN-CQSZACIVSA-N 311.381 3.148 10 10 DGCE CCOC(=O)c1ccccc1N(C)C(=O)/C=C\c1cncc(C)c1 772107606 RODSNCKOAFCZHY-KTKRTIGZSA-N 324.380 3.243 10 10 DGCE O=C([C@@H]1C[C@@H]1c1c(F)cccc1F)N1Cc2cccc(O)c2C1 871203367 YXJODSSONOANLV-NWDGAFQWSA-N 315.319 3.316 10 10 DGCE COc1ccc(N(C)Cc2ccc(-c3cc[nH]n3)o2)cc1OC 789749690 SLYBJTZVYWZZPJ-UHFFFAOYSA-N 313.357 3.323 10 10 DGCE C[C@@H]1[C@@H](Nc2c(N)cccc2F)CCN1C(=O)OC(C)(C)C 1959359278 HSBZCHSBJRTDLX-MFKMUULPSA-N 309.385 3.218 10 10 DGCE COc1cccc(CN2CCCC[C@H](C3CCOCC3)C2)c1O 895716563 JCWSRUDNCLUIQE-INIZCTEOSA-N 319.445 3.430 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)C1SCCS1 1351673725 NJLIZOIJGHAPEL-UHFFFAOYSA-N 322.499 3.051 10 10 DGCE Cc1nc2ccc(C(=O)NCc3cccc(Cl)c3O)cc2o1 1606868966 TVUKXUIRHFQQJC-UHFFFAOYSA-N 316.744 3.425 10 10 DGCE O=C(NCc1c(O)cccc1F)[C@@H]1C[C@@H]1c1ccc(F)cc1 1471975711 DSQKBLCLALNFBB-CHWSQXEVSA-N 303.308 3.090 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)c2cncc(F)c2Cl)c1 1610393174 TUWYQNRUNWNSMC-QMMMGPOBSA-N 324.739 3.079 10 10 DGCE CSc1ccc(O)c(C(=O)N(C)Cc2ccccc2O)c1 1545502829 BVINKAXIKQAXEN-UHFFFAOYSA-N 303.383 3.092 10 10 DGCE CCCCO[C@H]1C[C@H](NC(=O)c2ccc(C)c(O)c2O)C1(C)C 1629523458 YIXHBJDCHGEUKT-KBPBESRZSA-N 321.417 3.120 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2ccccc2-n2cccc2)c1 1629740902 RXDOWEOZPWJFJF-UHFFFAOYSA-N 306.365 3.421 10 10 DGCE Cc1ccc(C(=O)NCc2cc(O)ccc2O)cc1-n1cccc1 1637122553 ILIIRFVCMXQHPC-UHFFFAOYSA-N 322.364 3.127 10 10 DGCE COc1ccc(CNCCCN(C)C(=O)CC2(C)CC2)cc1C 1569223560 HDDIEPCRVJGYIK-UHFFFAOYSA-N 318.461 3.132 10 10 DGCE CN(C[C@@H]1CCCC12CCOCC2)c1ccc2c(c1)OCO2 1644960457 OEVIJUUXNLLHKC-AWEZNQCLSA-N 303.402 3.448 10 10 DGCE Cc1cc(C(=O)Nn2cccn2)c(C)n1-c1ccc(Cl)cc1 1584514595 QYGZLUHLQOQSDC-UHFFFAOYSA-N 314.776 3.328 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)N[C@H]2COC[C@@H]2C)c1 1597046181 XYUOVKOVZRDNIM-GUYCJALGSA-N 312.413 3.167 10 10 DGCE COc1ccc(CNC(=O)NCC[C@@H]2CCCC2(C)C)c(O)c1 1774162868 AFYVNYGUMPOMCX-AWEZNQCLSA-N 320.433 3.416 10 10 DGCE CN(c1ccc(CNC(=O)c2ccnnc2)cc1)C1CCCCC1 155021352 SXHUEIBPASOOPL-UHFFFAOYSA-N 324.428 3.176 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@H]1CC2(CCC2)[C@@H]1O 2140680653 WSQYDPOGIBSVAD-WCQYABFASA-N 302.201 3.092 10 10 DGCE CC(C)Oc1ccc(N2CC[C@@H](CNC[C@H]3CCCO3)C2)cc1 250572359 AFBBHGHFCSJCJY-QFBILLFUSA-N 318.461 3.069 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@]1(C)[C@@H](N)c1ccccc1O 1936967290 GDPKFGSFMAAWQT-RVKKMQEKSA-N 320.433 3.476 10 10 DGCE CC[C@@H](NOCCCNC(=O)OC(C)(C)C)c1ccccc1O 1937011042 HGQNVVWKWUCSNK-CQSZACIVSA-N 324.421 3.279 10 10 DGCE Nc1cccc(F)c1N[C@@H]1CCOC[C@H]1OCc1ccccc1 1937207850 RSAJNFPOBGOMCG-IAGOWNOFSA-N 316.376 3.194 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H]1[C@@H](N)c1ccc(N(C)C)cc1 1894538612 RMEZIGGQCUGMPC-KCXAZCMYSA-N 319.449 3.008 10 10 DGCE Oc1c(Cl)cccc1CNCc1ccc2nsnc2c1 1964073773 OSVBBLJIIGVMSS-UHFFFAOYSA-N 305.790 3.340 10 10 DGCE Cc1cccc(O)c1CNC[C@@H](NC(=O)OC(C)(C)C)C(C)C 1976875656 MUSUKRBGRBEVAD-OAHLLOKOSA-N 322.449 3.340 10 10 DGCE CC(C)(C)OC(=O)N1CCC(F)(CNc2ccc(N)cc2)CC1 1977663856 DROOKQYGTKKZTH-UHFFFAOYSA-N 323.412 3.420 10 10 DGCE CC(C)(C)OC(=O)NC1(C2CCN(CCCN=[N+]=[N-])CC2)CC1 1982246984 BPPVPOBMTNHVHQ-UHFFFAOYSA-N 323.441 3.456 10 10 DGCE CN(Cc1ccccc1)[C@H]1CCN(c2ccc3c(c2)CC[C@@H]3O)C1 2012704680 FFJOEECDBJVBGK-FPOVZHCZSA-N 322.452 3.377 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)c1cc(Cl)ncc1Cl 701323042 JVADSHHPWPLKDD-SSDOTTSWSA-N 300.149 3.303 10 10 DGCE CCOCCCN(C)Cc1ccc(Br)cc1O 691680387 VGMUANIKVSWHRB-UHFFFAOYSA-N 302.212 3.013 10 10 DGCE CCN(Cc1ccc(N)cc1)c1ncc(Br)c(C)n1 396691761 UKWPCCRLUDLKAE-UHFFFAOYSA-N 321.222 3.156 10 10 DGCE CN(C)Cc1cc(C2CCCC2)nn1Cc1cccc(F)c1O 2070040874 QOQFKYKAAAAZEG-UHFFFAOYSA-N 317.408 3.495 10 10 DGCE CNCc1cc(C2CCCC2)nn1Cc1cc(F)ccc1O 2070087413 UXIKDAKFCFVCDH-UHFFFAOYSA-N 303.381 3.153 10 10 DGCE CSc1cnn([C@H](C)c2cc([N+](=O)[O-])ccc2O)c1Cl 2070249123 NJZGNJROQZZFSU-SSDOTTSWSA-N 313.766 3.482 10 10 DGCE Oc1ccc(Br)cc1CN1C[C@H]2C[C@H]1C(F)(F)C2 1203639715 IPVYSNWHQJUKTQ-UFBFGSQYSA-N 318.161 3.384 10 10 DGCE OCC1CCC(F)(CNCc2ccc(Cl)cc2O)CC1 2178635630 GFXBLTKDZWGFAS-UHFFFAOYSA-N 301.789 3.026 10 10 DGCE CO[C@H]1CCN(c2cc(Cl)c(CN)cc2F)[C@@H]1C(C)C 2182431693 KEJXGGRTKRNBIW-LSDHHAIUSA-N 300.805 3.188 10 10 DGCE CCC[C@H](COC)N(C)Cc1cccc(Br)c1O 2047299925 VWXAOPDBLVIMAG-GFCCVEGCSA-N 316.239 3.402 10 10 DGCE Nc1ccc(OC[C@@H](O)c2ccc(Br)cc2)cc1 2050527732 LMJJMHDBSPIKGZ-CQSZACIVSA-N 308.175 3.144 10 10 DGCE Cc1ccnc(CN2CCC[C@H]2CN=[N+]=[N-])c1Br 2059051880 ULQUXCGXCIRTTJ-JTQLQIEISA-N 310.199 3.427 10 10 DGCE CN(Cc1ccccc1O)c1cccc(Br)c1N 2072449887 DSEKFUSOURJGAB-UHFFFAOYSA-N 307.191 3.373 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@](C)(F)[C@@](C)(Br)C2)cc1 2084856077 LIPTXZMBWVWICF-SWHYSGLUSA-N 315.230 3.408 10 10 DGCE CCN[C@]1(CO)C[C@@H](Sc2nccs2)CCC1(C)C 2099188763 LTJFYZGMYOMKMV-FZMZJTMJSA-N 300.493 3.155 10 10 DGCE CC1(C)OCCN(c2cc(Cl)c(CN)cc2F)C1(C)C 2203751258 PRGNSQIGIBXXLX-UHFFFAOYSA-N 300.805 3.332 10 10 DGCE CCCNCc1c(Cl)ncn1Cc1cnc(SC)s1 2269278355 GVIIWLLZWGZPAB-UHFFFAOYSA-N 316.883 3.263 10 10 DGCE CSc1ncc(CNC[C@@H]2CC[C@H]3CCCC[C@H]3N2)s1 2284716662 ZXHIRAHTSJGNOO-MBNYWOFBSA-N 311.520 3.265 10 10 DGCE C[C@H](NC(=O)C=Cc1ccc(O)c(O)c1)[C@@H]1C[C@H]2CC[C@H]1C2 2307982206 SVJZMSYVKSULNK-MXAVVETBSA-N 301.386 3.052 10 10 DGCE Cc1ccc(CN[C@H](C)c2cc[nH]n2)c(O)c1Br 2327629355 BNYMGXDJPWBZBG-SECBINFHSA-N 310.195 3.037 10 10 DGCE NCc1ccc(N2CCN(c3ccc(Cl)cc3)CC2)cc1 20265939 CUFXAVSPSDRZEQ-UHFFFAOYSA-N 301.821 3.125 10 10 DGCE COCCNCc1ccc(N2C[C@@H](C)S[C@H](C)C2)cc1C 70384632 VIJIJTGIWSKFBD-HUUCEWRRSA-N 308.491 3.061 10 10 DGCE CC(C)N[C@@](CSc1nccs1)(C(=O)O)c1ccccc1 45596254 LQJLQPQVPCSFNB-OAHLLOKOSA-N 322.455 3.213 10 10 DGCE COc1cc([C@@H](N)c2ccc3c(c2)CCN3C)sc1Cl 2365807220 GLLOPQGACNYDDP-AWEZNQCLSA-N 308.834 3.451 10 10 DGCE COc1cc(Cl)cc(CNC[C@]2(O)CCC[C@@H](C)C2)c1O 228674391 RZCVLIWOENHOLT-BZNIZROVSA-N 313.825 3.085 10 10 DGCE Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@H]2O3)c(C)n1-c1ccccc1 191404746 UPPJXDPWSOVNTE-BPQIPLTHSA-N 310.397 3.144 10 10 DGCE CC(C)(C)OC(=O)NC[C@H]1[C@H](COc2ccc(N)cc2)C1(C)C 1952892646 FTOCOZGUOLISEK-GJZGRUSLSA-N 320.433 3.445 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)C2CCC(F)(F)CC2)c1 89487136 QEKNRUZXXOFEHG-SNVBAGLBSA-N 313.344 3.404 10 10 DGCE CC[C@H]1CCCCN1C(=S)N(C(C)=O)c1ccc(N)cc1 243364086 MCBCNFKIEICGSC-AWEZNQCLSA-N 305.447 3.171 10 10 DGCE COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc(O)cc1C 244329692 XNGBEBQPVGSJBR-UHFFFAOYSA-N 321.398 3.127 10 10 DGCE CC(C)(C)OC(=O)N[C@](C)(COc1ccc(N)cc1)C(F)F 1953021077 QWPCXXKOHYTRPC-OAHLLOKOSA-N 316.348 3.196 10 10 DGCE Oc1c(Cl)cccc1CN1CCC2(C1)Oc1ccccc1O2 289998594 CWUYIFLHHUADNH-UHFFFAOYSA-N 317.772 3.419 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)/C=C/c1ccncn1 282466799 KKZISRQTGYWHLN-CMDGGOBGSA-N 311.385 3.024 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCO[C@H](C(F)F)C1 802655335 ULTNOSJYJAXVCO-JTQLQIEISA-N 312.143 3.165 10 10 DGCE CC[C@H](NC[C@H]1CC[C@H](C(N)=O)CC1)c1ccc(N(C)C)cc1 817585767 HWKWVOLXZIYEEQ-ZVZYQTTQSA-N 317.477 3.085 10 10 DGCE CC[C@H](COCC1CC1)NCc1cc(Cl)cc(F)c1O 826866834 FPFSHFJPDBAKEJ-CYBMUJFWSA-N 301.789 3.480 10 10 DGCE COc1cccc(OC)c1CNCc1cccc(Cl)c1O 826922048 XWCWOJXIACTJBX-UHFFFAOYSA-N 307.777 3.353 10 10 DGCE Cc1ncccc1/C=C\C(=O)NCc1c(O)ccc2c1CCCC2 827324093 YUKPOLLFYWRKQX-LUAWRHEFSA-N 322.408 3.304 10 10 DGCE Cc1cnn(CCN(C)Cc2ccc(N3CCCCC3)cc2)c1 730085927 JBOGVPMHNCESMH-UHFFFAOYSA-N 312.461 3.314 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)c1cn(C)nc1Cl 831415868 BUDMGNLZWTWEBD-UHFFFAOYSA-N 321.808 3.222 10 10 DGCE COCCN(C/C=C\c1ccc(N(C)C)cc1)CC(F)(F)F 835027588 NCHWNUMEDRGJSS-PLNGDYQASA-N 316.367 3.277 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@H](CO)c2cccc(F)c2)cc1 835038622 BZTQTIZFAVOTBC-PHWHVTFISA-N 314.404 3.228 10 10 DGCE Cc1cc(O)c(CN2CC[C@H](CN3CCCC3)C2)c(Cl)c1 840918238 QJQXAHMNLQNQGP-CQSZACIVSA-N 308.853 3.272 10 10 DGCE O[C@H]1C[C@H](NCc2ccc(N3CCCCC3)cc2)C12CCC2 850389001 RLLGTFYFXVAOLM-ROUUACIJSA-N 300.446 3.070 10 10 DGCE COc1cccc(CNC[C@@H]2C[C@H](c3ccccc3)CO2)c1O 850378095 RDGHIEWRJPKQIV-IRXDYDNUSA-N 313.397 3.063 10 10 DGCE CCOC1CCC(N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 850486524 ISKMYBNIKRUPLR-KOHRHEQBSA-N 318.461 3.211 10 10 DGCE O=C(O)[C@H](CNCc1cc(Cl)cc(Cl)c1O)C1CCC1 854248185 QAICWEVIXZFTST-LLVKDONJSA-N 318.200 3.290 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)[C@H]2CCC2(C)C)cc1 855020487 QJISCUYUHYSYNT-MRXNPFEDSA-N 304.434 3.026 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@@H](C)O[C@H]1C 864949038 FQQBWSMWJAPWHE-VKJFTORMSA-N 318.461 3.303 10 10 DGCE C[C@@H](NC(=O)c1cccc(F)c1O)c1ccc(N(C)C)cc1 1128136420 RPVJXVZZXMBNEZ-LLVKDONJSA-N 302.349 3.088 10 10 DGCE COc1ncc(/C=C/C(=O)N(C)c2cccc3ccccc23)cn1 775812287 FORUPPNHKTVJSE-ZHACJKMWSA-N 319.364 3.315 10 10 DGCE Cc1cc(Br)cc([C@H](C)N[C@H](C)C(C)(C)O)c1O 779041647 WRWPPQMPAGQTME-VHSXEESVSA-N 316.239 3.273 10 10 DGCE CC[C@H](C)N(Cc1ccccc1)c1ccc2c(c1)NC(=O)[C@H]2N 387345293 HNLIKKFPCJCKAZ-UGSOOPFHSA-N 309.413 3.444 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)c2cccc(F)c2C)c1 1137473242 CVCQUYHDIGHVPB-LLVKDONJSA-N 303.333 3.339 10 10 DGCE COc1ccc(CNC(=O)CSc2ccccc2C)c(O)c1 794369468 FXBGWOMISJRNEU-UHFFFAOYSA-N 317.410 3.118 10 10 DGCE COC[C@@H]1CC[C@H](NCc2cccc(Br)c2O)C1 1918699134 FCEAWJYODDVSEI-PWSUYJOCSA-N 314.223 3.059 10 10 DGCE Cc1ccc(O)c(CNc2ncnc3cccc([N+](=O)[O-])c23)c1 1163754171 MNXJZGOSCHAWHL-UHFFFAOYSA-N 310.313 3.164 10 10 DGCE CCC[C@@H](O)CCNC(=O)c1sccc1-n1c(C)ccc1C 1179583996 SIKZTLQGEQNOBH-CQSZACIVSA-N 320.458 3.437 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]([C@@H](N)c2ccccc2O)C12CCC2 1901211813 DSWHWYUTCRPNSM-HIFRSBDPSA-N 318.417 3.182 10 10 DGCE Cc1ccc(Br)cc1C(=O)N1CC[C@@H](N=[N+]=[N-])C1 1912181670 QLPWGJGEFBUUKC-SNVBAGLBSA-N 309.167 3.282 10 10 DGCE Cc1ccnc(-c2cccc(NC(=O)c3cccc(O)c3O)c2)n1 1443856209 AYGMRIPWWCMLDK-UHFFFAOYSA-N 321.336 3.116 10 10 DGCE CC[C@H](O)CN(Cc1ccccc1)c1ccc(CNC)c(C)c1 1915428241 NCQUFUXMRZZLOC-FQEVSTJZSA-N 312.457 3.492 10 10 DGCE CCc1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)c(O)c1 1292206211 CEQBBPLJMJHYGQ-UHFFFAOYSA-N 324.424 3.267 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H]1c1cccc(F)c1 1542157206 NQQVMDJALXVBGE-OAHLLOKOSA-N 315.344 3.143 10 10 DGCE CN(C)c1ccc(CN(C[C@@H]2CCCO2)c2nccs2)cc1 1612212030 XYUFLVKLJKWISZ-INIZCTEOSA-N 317.458 3.395 10 10 DGCE CN(CCc1ccc(Cl)cc1)C(=O)c1c(F)ccc(O)c1O 1650914634 AVJHVQVHNBBMPW-UHFFFAOYSA-N 323.751 3.205 10 10 DGCE Cc1cc(C)nc(NC2=NC(=O)/C(=C/c3ccccc3)S2)n1 6189345 QELBVQIPBPPWON-LCYFTJDESA-N 310.382 3.176 10 10 DGCE CN(CCOCC1CC1)c1ccc(/C=C/C(=O)O)cc1Cl 164394635 WBBMCZARJHAETJ-FNORWQNLSA-N 309.793 3.301 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]([C@H](N)c2ccccc2O)C2(CC2)C1 1936969956 HJHUXAHKECVORR-UKRRQHHQSA-N 318.417 3.039 10 10 DGCE Cc1cccnc1C(=O)NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1 1889919610 MTPWFHZZFPLGJJ-WMZOPIPTSA-N 321.424 3.309 10 10 DGCE CCN[C@H](CSc1nccs1)c1csnc1OC 2031564536 LBWSIMQICDXXLK-SECBINFHSA-N 301.462 3.051 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@H]3C[C@H]2[C@H]2C[C@H]32)cc1Br 2041509970 AGOHZSALKXPWCT-UVBAXCRRSA-N 308.219 3.347 10 10 DGCE C[C@]1(CNCc2cc(Br)ccc2O)CC1(F)F 689211422 CFSJPPVUMWSTKT-LLVKDONJSA-N 306.150 3.290 10 10 DGCE CC(C)NCc1ccc(N(C)Cc2cnns2)c(Cl)c1 400046447 VXUVYUZHDPRQKG-UHFFFAOYSA-N 310.854 3.326 10 10 DGCE COC(=O)c1cc(C2CCC2)nn1Cc1c(O)cccc1Cl 2069977510 NYJIEVZSTNVUBD-UHFFFAOYSA-N 320.776 3.345 10 10 DGCE CCc1cc(CN(C)C)n([C@H](C)c2cc(C)c(C)cc2O)n1 2070120117 FCGXLIXFWLPHER-CQSZACIVSA-N 301.434 3.439 10 10 DGCE Cc1ccc([C@@H](C2CC2)n2nc(C(C)C)c(CO)c2N)c(O)c1 2078980451 DWWNMPMGZHIWEC-QGZVFWFLSA-N 315.417 3.094 10 10 DGCE C[C@@H](O)c1ccc(N(CC(F)(F)F)C2COC2)c(Cl)c1 2196630718 QIWXUGUJQKBSBX-MRVPVSSYSA-N 309.715 3.161 10 10 DGCE C[C@]1(P(C)(C)=O)CCCN1c1ccc(CN)c(F)c1F 2181671137 DADKRNHJJDWBCI-AWEZNQCLSA-N 302.305 3.363 10 10 DGCE CN(c1ccc(CN)cc1F)[C@@H]1CS[C@@H](C(F)(F)F)C1 2189455057 SMOLOXPRUFZWKT-JOYOIKCWSA-N 308.344 3.157 10 10 DGCE CCC[C@@H](COC)N(C)c1ccc(CN)cc1Br 2047302528 UFYAZEDPUKRCIG-LBPRGKRZSA-N 315.255 3.159 10 10 DGCE CN(Cc1cccc(Cl)c1O)[C@H]1CO[C@H](C(F)(F)F)C1 2185547078 VPRNMWWWSHWGCQ-KOLCDFICSA-N 309.715 3.197 10 10 DGCE CN(C)c1ccc([C@@](C)(N)c2ccc(Br)cn2)cc1 2100912478 UXJUDIRJZCDDDQ-OAHLLOKOSA-N 320.234 3.132 10 10 DGCE CN(C)c1ccc([C@H](O)c2cc(N)ccc2Br)cc1 2106801754 PPDAEYGISTUUGT-HNNXBMFYSA-N 321.218 3.179 10 10 DGCE Cc1cnccc1CN(C)c1ccc(CO)cc1Br 2110635412 WUOSPAVLFAOYMD-UHFFFAOYSA-N 321.218 3.281 10 10 DGCE O=C(O)C=Cc1ccc(N2CC(C3CC3)C2)c(Br)c1 2097246533 BTUDEVZQMSPNQN-UHFFFAOYSA-N 322.202 3.393 10 10 DGCE COc1cc(Cl)c([C@@H](NCCN=[N+]=[N-])C(=O)O)cc1Cl 2281586160 CDAQNNPYKDHYFJ-SNVBAGLBSA-N 319.148 3.028 10 10 DGCE CN(C(=O)C=Cc1ccc(O)c(O)c1)[C@@H]1CCc2ccccc2C1 2307987068 ABTMRDKXSZZKOB-QGZVFWFLSA-N 323.392 3.127 10 10 DGCE CCNCc1ccc(N2C[C@H]3C=C[C@@H]2C3)c(Br)c1 2308764976 VXEFHKVSWQZNCH-QWHCGFSZSA-N 307.235 3.323 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)n1 2335601599 VTZIEMWGIAEVMK-MRVPVSSYSA-N 300.149 3.303 10 10 DGCE COC(C)(C)[C@@H](N)c1cc(NC(=O)OC(C)(C)C)ccc1O 1952169276 DZVHHAPKHAKBGR-ZDUSSCGKSA-N 310.394 3.164 10 10 DGCE Cn1cc([C@H]2CCCN2Cc2c(O)ccc(Cl)c2F)cn1 191322762 MTVWENICCGISEV-CYBMUJFWSA-N 309.772 3.255 10 10 DGCE C[C@H](NCc1ccc(N(C)C)cc1)[C@H](C)NC(=O)OC(C)(C)C 381816790 CTXOJIRFOLELQC-KBPBESRZSA-N 321.465 3.144 10 10 DGCE Cc1c(C)n(C)c2ccc(OCc3cn(CC4CC4)nn3)cc12 421194275 GUIARRPWZNZTHS-UHFFFAOYSA-N 310.401 3.376 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)C(=O)N1c2ccccc2C[C@H]1C 96643302 SETBHSKMVFBLMR-CHWSQXEVSA-N 311.381 3.254 10 10 DGCE CN(C)c1ccc(CN(C[C@H]2CCCO2)[C@H]2CCSC2)cc1 248725934 IILUOZSUKOVYMW-ZWKOTPCHSA-N 320.502 3.239 10 10 DGCE COc1ccc(N(C[C@@H](O)C(F)(F)F)[C@@H](C)C2CC2)cc1 248564138 KHANLNRHUQWOCB-IINYFYTJSA-N 303.324 3.223 10 10 DGCE C[C@@H](NC[C@]1(C)COc2ccccc2O1)c1cc(F)ccc1O 527929083 GBFGNFZAGPCOGQ-KZULUSFZSA-N 317.360 3.412 10 10 DGCE COc1ccc(O)c(CN2C[C@H](C)O[C@H](c3ccccc3)C2)c1 245839609 JJBCUCGEYURNRL-LIRRHRJNSA-N 313.397 3.363 10 10 DGCE COC(=O)C1(CSc2ncc(-c3ccccc3)n2C)CC1 279495071 PQUBXGKHJLXATN-UHFFFAOYSA-N 302.399 3.132 10 10 DGCE CN[C@@H](c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(Cl)s1 2163127423 OTYMDEGHBQCWEN-GJZGRUSLSA-N 310.850 3.462 10 10 DGCE CC[C@H]1C[C@@H](NCc2cc(Cl)cc([N+](=O)[O-])c2O)CCO1 817414488 GEVCVRFAKYFNOR-RYUDHWBXSA-N 314.769 3.001 10 10 DGCE CCO[C@@H]1C[C@H](N[C@H](CC)c2ccccc2O)[C@@H]1n1cccn1 815659379 AFYDAPWLTAHDGY-ATLSCFEFSA-N 315.417 3.048 10 10 DGCE NCc1ccc(N2C[C@@H]3[C@@H](C2)[C@H]2C=C[C@H]3C2)c(Br)c1 723193755 AWRJXPQWBLTXOP-XUXIUFHCSA-N 319.246 3.166 10 10 DGCE Cc1ccc([C@H]2CCN(C(=O)c3c(F)ccc(O)c3O)C2)cc1 828316807 NSLAJWIWSCLQSS-ZDUSSCGKSA-N 315.344 3.175 10 10 DGCE C/C=C\C[C@H](CO)N[C@@H](C)c1ccc(Br)cc1O 588489772 VLFYEHOPFGMVLU-OIFMLDNNSA-N 314.223 3.132 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@H]1C1CCCC1 588403938 KWOWRFDFHDNWRK-WWRUEGTHSA-N 301.386 3.292 10 10 DGCE CC[C@H](C)CN(C)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] 732049459 XYOXAAXIOSUAMW-CRALRDPISA-N 306.362 3.263 10 10 DGCE CC1(C)CC[C@@H]1C(=O)NCc1cccc(Br)c1O 834476447 YSKKGOSUKGIIHN-SNVBAGLBSA-N 312.207 3.207 10 10 DGCE Cc1cc(O)c(CNC[C@@H]2CSCCS2)c(Cl)c1 840904911 LWBJEAGKNXBUKJ-SNVBAGLBSA-N 303.880 3.292 10 10 DGCE C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(N)cc1 841296608 WFOWTSCGVAMELE-CABZTGNLSA-N 301.312 3.464 10 10 DGCE CC(C)(C)c1cc(O)c(O)c(CN2CCC[C@]3(CCOC3)C2)c1 840144257 ZOANRVONCCBQSQ-IBGZPJMESA-N 319.445 3.398 10 10 DGCE Cc1cc(O)c(CN2CC[S@](=O)C(C)(C)CC2)c(Cl)c1 840950310 IUJSIFKVRCTCPC-FQEVSTJZSA-N 315.866 3.087 10 10 DGCE CC[C@H](N[C@@H]1CC=C(C(=O)OC)C1)c1cc(Cl)ccc1O 858474659 STGIKMBKXKBBRR-OCCSQVGLSA-N 309.793 3.348 10 10 DGCE CC(C)(C)c1cc(CNCc2cnn[nH]2)c(O)c(C(C)(C)C)c1 858197380 CEPAFMOMNXWNBC-UHFFFAOYSA-N 316.449 3.395 10 10 DGCE CC[C@H](OC1CCCCC1)C(=O)NCc1c(O)cccc1F 928706586 XSXYLEBEQUJHFF-INIZCTEOSA-N 309.381 3.275 10 10 DGCE Fc1cc(CNC[C@H]2CCCC23CC3)ccc1N1CCOCC1 858333195 YRQDGJPRJPETEL-MRXNPFEDSA-N 318.436 3.332 10 10 DGCE CN(C)c1ccc(CNc2nccn3nc(C4CC4)cc23)cc1 865414590 FOVARTFUOHMNHZ-UHFFFAOYSA-N 307.401 3.285 10 10 DGCE CCOc1ccc(CN(C)Cc2ccc(Cl)nc2)c(O)c1 768238031 UTYJSBJSPBWPIB-UHFFFAOYSA-N 306.793 3.471 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)c2ccc(C)nc2Cl)c1 761973403 PLXIGZSTALQLET-JTQLQIEISA-N 320.776 3.249 10 10 DGCE Cc1nc(C(C)C)sc1C(=O)N1Cc2cccc(O)c2C1 871198847 PMXHRIOLTXNGLG-UHFFFAOYSA-N 302.399 3.437 10 10 DGCE COc1cc(Br)cc(CNc2ccc(O)cc2)c1O 76276070 ASKXVMUNSHMWOO-UHFFFAOYSA-N 324.174 3.481 10 10 DGCE c1cc(N2CCOCC2)ccc1CNc1ccc(C2CC2)cn1 897711988 JSVONNLGVIFGIL-UHFFFAOYSA-N 309.413 3.408 10 10 DGCE CC[C@@H]1COC[C@@H]1N(C)Cc1cccc(Br)c1O 710917659 HILGYFXNTSOOGP-MFKMUULPSA-N 314.223 3.012 10 10 DGCE C[C@H](CNCc1ccc(Cl)cc1O)NC(=O)OC(C)(C)C 1657983141 WJEABUJPXHAHQZ-SNVBAGLBSA-N 314.813 3.048 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CC2CCC1CC2 1452140655 NGOWPJWSXRCHMX-SOVZOBSRSA-N 301.386 3.054 10 10 DGCE CC[C@H](Cc1ccccc1C)C(=O)NCc1cccc(O)c1O 1528771651 SKSODNYNJZBGCZ-CQSZACIVSA-N 313.397 3.291 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccccc1O 1299479722 ZGHFAPZHGRXNEJ-CQSZACIVSA-N 312.413 3.128 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N2Cc3cncnc3C2)cc1 1450311532 HLPOZGLAQLKEPR-UHFFFAOYSA-N 318.380 3.040 10 10 DGCE Cc1cccc(Cl)c1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 1633819958 YASJDPVKJNNRGM-NSHDSACASA-N 319.788 3.421 10 10 DGCE CN(Cc1ccccc1O)C(=O)[C@H]1Cc2ccc(Cl)cc21 1635657861 DGSVOYMPLYXWHR-HNNXBMFYSA-N 301.773 3.344 10 10 DGCE CC[C@H]1CCCC[C@@H]1OCC(=O)NCc1c(O)cccc1F 1635361152 YDANCAUJDKDJGP-LRDDRELGSA-N 309.381 3.133 10 10 DGCE C[C@@H](CCNC(=O)OC(C)(C)C)N[C@H](C)c1ccccc1O 1928513472 RKOMXAAYHVGAAG-QWHCGFSZSA-N 308.422 3.346 10 10 DGCE O=C(CCCc1cc(F)ccc1F)NCc1c(O)cccc1F 1645048084 GGRWGOXFJRVLDD-UHFFFAOYSA-N 323.314 3.449 10 10 DGCE COc1nc(C(=O)N[C@@H](C)c2ccccc2O)cc2ccccc12 1642828063 XXODFFSIDAEGLT-LBPRGKRZSA-N 322.364 3.440 10 10 DGCE CCCn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccccc1O 1745666852 UJBSADXRFTVASM-UHFFFAOYSA-N 311.389 3.025 10 10 DGCE C[C@]1(C(=O)NCc2c(O)cccc2O)CCCc2ccccc21 1652625800 MLUKAVBHNBHLAR-IBGZPJMESA-N 311.381 3.008 10 10 DGCE CC[C@H]1CCCC[C@H]1CNC(=O)NCc1cccc(OC)c1O 1681591787 KNURERYNUPDXRR-KBPBESRZSA-N 320.433 3.416 10 10 DGCE CC(C)(C)OC(=O)N[C@]12CC[C@@H]1CN(CCCCN=[N+]=[N-])C2 1962288006 POLAARWIWIBEOH-DOMZBBRYSA-N 309.414 3.066 10 10 DGCE Nc1ccc(CC(=O)[C@H]2CCOC3(CCSCC3)C2)cc1 166818580 IEXSSAXQLMRZDY-AWEZNQCLSA-N 305.443 3.073 10 10 DGCE CCN(CCO)c1ccc(CNC(C)C)c(C(F)(F)F)c1 167362485 WQMYNECRKSZHOZ-UHFFFAOYSA-N 304.356 3.022 10 10 DGCE COc1cccc(CNC(=O)C/C=C/c2ccc(C)cc2)c1O 155740617 KWGRUSPHKJGNIY-HWKANZROSA-N 311.381 3.429 10 10 DGCE CCCC1=NN(CCC)C(=O)/C1=C/c1cccc(OC)c1O 1865658459 IRBAOWSIVSBNDL-ACCUITESSA-N 302.374 3.193 10 10 DGCE CN(C)[C@H](CCNCc1cc(Cl)ccc1O)C(F)(F)F 922751926 KJWRFJUGFZRKJP-GFCCVEGCSA-N 310.747 3.018 10 10 DGCE C[C@@H]1[C@@H](NCc2c(O)cccc2F)CCN1C(=O)OC(C)(C)C 1894380604 ZUGOZQYOAFLRGF-RISCZKNCSA-N 324.396 3.019 10 10 DGCE C[C@H]1CCS[C@H]1CNCc1cccc(Br)c1O 1945610631 SYLPXZLSLUXASW-CABZTGNLSA-N 316.264 3.386 10 10 DGCE Cc1nc(Br)cc(N(C)[C@@H](C)c2ccccc2O)n1 1877544429 DVBWZUWDCCCNNC-VIFPVBQESA-N 322.206 3.451 10 10 DGCE C[C@H](O)CCCN(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 1972630779 XYWPORAPLYTCAQ-AWEZNQCLSA-N 322.449 3.309 10 10 DGCE CCN(CC)c1ccc([C@](C)(N)CNC(=O)OC(C)(C)C)cc1 1977945265 MYWKWUHQDGJJBJ-GOSISDBHSA-N 321.465 3.231 10 10 DGCE C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[C@@H](N)c1ccc(N(C)C)cc1 1977946664 WWYQJCYFFKNZIK-HEHGZKQESA-N 321.465 3.302 10 10 DGCE C[C@@H](CN(C)Cc1ccccc1O)C(=O)OCc1ccccc1 1989685483 SVPKPZUESGTMMM-HNNXBMFYSA-N 313.397 3.204 10 10 DGCE C[C@H]1CCN(C(=O)C=Cc2cnn(C)c2)c2ccccc2S1 2040968020 BMGZSTHTGOZGAB-ZDUSSCGKSA-N 313.426 3.351 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN(S(=O)(=O)C2CCCCCC2)C1 2161423917 WAYMXMCXZUBQRB-GFCCVEGCSA-N 300.428 3.061 10 10 DGCE CC[C@@H](N=c1cc(C)n(C)[nH]1)c1cc(Br)ccc1O 394101538 CSIWYRARXPRGML-GFCCVEGCSA-N 324.222 3.182 10 10 DGCE COc1ccc(CNC2[C@@H]3CN(Cc4ccccc4)C[C@@H]23)cc1C 398328244 PKGXPXXWARSBBU-RTBURBONSA-N 322.452 3.224 10 10 DGCE CCCNCc1ccc(N2CC(OC(F)F)C2)c(Cl)c1 398930955 FPIFCXPKOVRZRC-UHFFFAOYSA-N 304.768 3.267 10 10 DGCE O=C(/C=C\c1cncc(F)c1)N1CCc2c(F)cc(F)cc21 255845940 SYTQDUYUQKBHKM-UPHRSURJSA-N 304.271 3.101 10 10 DGCE COC(=O)c1cc(C(C)C)nn1Cc1ccc(Cl)cc1O 2069965052 MQIOISVCYGSLEE-UHFFFAOYSA-N 308.765 3.200 10 10 DGCE COc1cccc(O)c1[C@@H](C)n1nc(-c2ccccc2)cc1N 2070176674 MFZDLOIZIBYMIF-GFCCVEGCSA-N 309.369 3.456 10 10 DGCE CO[C@@H]1CN(c2ccc([C@H](C)N)c(Cl)c2)CC(F)(F)C1 2185154287 MUYZWHXLWQFZCW-ONGXEEELSA-N 304.768 3.220 10 10 DGCE C[C@H](N)c1ccc(N(C)Cc2ccon2)cc1Br 2042309664 DJHSCAXMULNXRZ-VIFPVBQESA-N 310.195 3.093 10 10 DGCE COc1cc(NCc2cnc(SC)s2)ccc1[N+](=O)[O-] 2284507815 NQBHXSZMODKILZ-UHFFFAOYSA-N 311.388 3.394 10 10 DGCE O=C(/C=C\c1cnccn1)N(Cc1ccccc1)c1ccncc1 492896759 LOEKGVLRWSQGAJ-SREVYHEPSA-N 316.364 3.118 10 10 DGCE C[C@@H]1CN(C(=O)C=Cc2ccc(O)c(O)c2)[C@H]2CCCC[C@@H]12 2308248219 LQUBEQVKKWFFSM-SNPRPXQTSA-N 301.386 3.148 10 10 DGCE Cc1cccn2c(N=Nc3ccccc3C(=O)O)c(C(=O)O)nc12 2320767238 ADPSZXCJZGOXCJ-UHFFFAOYSA-N 324.296 3.455 10 10 DGCE O=C(c1ccco1)N1CCN(N=Nc2ccc(F)cc2F)CC1 2330252076 ZCYPQZQHRNPXET-UHFFFAOYSA-N 320.299 3.015 10 10 DGCE CCO[C@H]1CCN(Cc2ccc(C)c(Br)c2O)C1 2327564235 KJQVOYJGZXUNGT-LBPRGKRZSA-N 314.223 3.074 10 10 DGCE CO[C@@H]1CC[C@@H]1N(C)Cc1ccc(C)c(Br)c1O 2327609886 QCKIOEJQXAMDIR-NWDGAFQWSA-N 314.223 3.072 10 10 DGCE CCCN[C@@](CO)(CSc1nccs1)[C@H]1CC1(C)C 2340927775 UREAEJGJXYJWRJ-FZMZJTMJSA-N 300.493 3.012 10 10 DGCE CNCc1ccc(N(C)Cc2cnc(C)o2)c(Br)c1 2342828322 HLUFCTVKMXSQTM-UHFFFAOYSA-N 324.222 3.101 10 10 DGCE S=C(NCc1ccccc1)SCc1cn2cccnc2n1 6383034 VXNAVZUAUMPDHF-UHFFFAOYSA-N 314.439 3.037 10 10 DGCE C[C@H](c1cccs1)N(C)C(=O)CN(C)Cc1ccccc1O 171926913 OARLXPKTHVSUSP-CYBMUJFWSA-N 318.442 3.105 10 10 DGCE CC(C)NCc1ccc(N2CCOC[C@@H](F)C2)cc1Cl 2361809401 WDCSKFLPHJYZHZ-ZDUSSCGKSA-N 300.805 3.013 10 10 DGCE CC[C@@H]1[C@@H](C)CCN1c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] 302468627 WEVLMXIXGDZQPI-SKVWCYETSA-N 318.373 3.406 10 10 DGCE O=[N+]([O-])c1c(I)ccc2scc(O)c12 306992868 XQILKAWNORDGPN-UHFFFAOYSA-N 321.095 3.120 10 10 DGCE CC(=O)N(C(=O)NCc1cccc(Cl)c1)c1ccc(N)cc1 217314828 TWVDRDZQCMJICP-UHFFFAOYSA-N 317.776 3.185 10 10 DGCE Cc1nc2ccc(C(=O)O)cn2c1/N=N\c1ccc2c(c1)OCO2 71592450 ITYVCFIZKSNGLJ-HNENSFHCSA-N 324.296 3.485 10 10 DGCE CCS(=O)(=O)c1ccccc1NCc1cc(C)ccc1O 71407800 UISIZEZWRWYWTC-UHFFFAOYSA-N 305.399 3.106 10 10 DGCE Cc1ccc(C)c([S@](=O)CCCOc2ccc(N)cc2)c1 40962649 IWBHMOHZZBZBAH-NRFANRHFSA-N 303.427 3.462 10 10 DGCE Cc1ccc(O)c([C@@H](C)Nc2cc(-n3cnnn3)ccc2C)c1 192767202 WRIIYIQVLYCGFS-CYBMUJFWSA-N 309.373 3.158 10 10 DGCE C[C@@H]1CN(c2ccc([C@@H](C)N)c(Br)c2)CCS1 235219843 OORKDVHILLWSNY-NXEZZACHSA-N 315.280 3.411 10 10 DGCE CC(=O)c1cccc(NC(=S)NCc2ncc(C)cc2C)c1 244423011 YURQQQNWTFXWAW-UHFFFAOYSA-N 313.426 3.388 10 10 DGCE CCO[C@@]1(C)C[C@H]1N[C@H](C)c1ccc(Br)cc1O 527980725 RMGVXRHQPHQDPT-FZQKWOKYSA-N 314.223 3.373 10 10 DGCE CN[C@@H](c1ccccc1O)[C@@H](O)c1ncc(Cl)cc1Cl 2163375279 CNHCOMIWZMVBTQ-GXTWGEPZSA-N 313.184 3.088 10 10 DGCE CC1(C)CN(Cc2ccccc2)C[C@H]1NCc1ccccc1O 720704040 HNFZQMCXHHYEOB-LJQANCHMSA-N 310.441 3.392 10 10 DGCE O=C(/C=C\c1cnccn1)N1CCCc2c(Cl)ccc(F)c21 491576369 NKZATOYXLAFVFS-UTCJRWHESA-N 317.751 3.262 10 10 DGCE CC[C@H](NC[C@@]1(OC(C)C)CCOC1)c1ccc(N(C)C)cc1 903360695 LSTJHHQMOOCCPA-OALUTQOASA-N 320.477 3.377 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)CC(F)(F)F 831931946 VUNFLMJYSVJLGM-SECBINFHSA-N 319.323 3.124 10 10 DGCE CCN(CC)c1ccc(CNC(=O)NCC[C@H](C)F)cc1F 836291843 XRADCVWDOAAUGO-LBPRGKRZSA-N 313.392 3.219 10 10 DGCE COc1ccnc(CN[C@@H](C)c2ccc(C)c(C)c2O)c1F 850538305 YHBMPKLMZQJAFA-LBPRGKRZSA-N 304.365 3.403 10 10 DGCE Cc1cc(F)ccc1C[C@H](C)NC(=O)Cc1ccc(N)cc1 851641655 ODTYQKVGKGVHSP-ZDUSSCGKSA-N 300.377 3.006 10 10 DGCE Cc1cc(CCNC(=O)Nc2ccon2)c(C)n1-c1ccccc1 757852492 SCVWMTFGBGOSES-UHFFFAOYSA-N 324.384 3.446 10 10 DGCE CCN(CC)c1ccc(CNC[C@]23OCCC[C@H]2C3(F)F)cc1 850377342 FIOUPBCBPJIULW-SJORKVTESA-N 324.415 3.437 10 10 DGCE COc1cc(Cl)cc(CNCC2CCC(OC)CC2)c1O 761216705 WKPNPIKHFSVSFC-UHFFFAOYSA-N 313.825 3.349 10 10 DGCE O=C(NCc1ccc(N2CCCC2)cc1)C1(C(F)F)CCC1 864864296 WSMUATNAIAWCLK-UHFFFAOYSA-N 308.372 3.338 10 10 DGCE COc1cccc(CNCc2cccc(OC(C)(C)C)n2)c1O 767418143 UQNPYRBVRYJGSX-UHFFFAOYSA-N 316.401 3.263 10 10 DGCE CCOC(=O)c1cc(N2Cc3cccc(O)c3C2)ncc1Cl 866117204 IDIHNOUQJLKXGA-UHFFFAOYSA-N 318.760 3.138 10 10 DGCE COc1ccc(NC(=S)NCc2ccc(Cl)cn2)cc1 776196074 VKDYOIGWFSBPNG-UHFFFAOYSA-N 307.806 3.230 10 10 DGCE O=C(Nc1c(Cl)ccc2nonc12)c1cccnc1C(F)F 1128704590 QGQKOAPXWHWQNR-UHFFFAOYSA-N 324.674 3.461 10 10 DGCE COc1ccc(CN[C@@H]2CCN(Cc3ccccc3)C2)cc1C 105368382 WGAXCKVUMYJQJM-LJQANCHMSA-N 310.441 3.368 10 10 DGCE Oc1ccc(Cl)c(F)c1CN1CCc2nc[nH]c2C12CCC2 895069239 TWSJEDJZLDDCQR-UHFFFAOYSA-N 321.783 3.345 10 10 DGCE CCN(C(=O)OC(C)(C)C)[C@@H](C)CNCc1cc(C)ccc1O 387483308 WREAYZCTYMDSHP-AWEZNQCLSA-N 322.449 3.436 10 10 DGCE CCSC[C@H](C)NCc1ccc(Br)cc1O 700992009 FEGZVDMRGNEZJZ-VIFPVBQESA-N 304.253 3.386 10 10 DGCE Oc1ccccc1CNCCc1ccc(Br)cc1 394151372 UKFKPTAETQNDJL-UHFFFAOYSA-N 306.203 3.487 10 10 DGCE COc1cc(C)cc(CNc2cccc3c2OCC[C@H]3O)c1O 894470001 LJUYVZWCSRKXEG-OAHLLOKOSA-N 315.369 3.137 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)c1cnc(Cl)c(Cl)c1 706305683 CNHVYVAGJQIIIG-MRVPVSSYSA-N 300.149 3.303 10 10 DGCE CC1(C2CC2)CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 793468542 LLESKOQALPMQGC-XVNBXDOJSA-N 301.386 3.150 10 10 DGCE O=C(Nc1ccc(-c2csnn2)cc1)c1cc(O)cs1 1142083212 YPONULAXFSMTNG-UHFFFAOYSA-N 303.368 3.225 10 10 DGCE COC(=O)[C@](C)(NCCN=[N+]=[N-])c1ccc(Cl)c(Cl)c1 90256984 UHDABSIXIJUOLV-GFCCVEGCSA-N 317.176 3.282 10 10 DGCE CP(C)(=O)[C@@H]1CCCN1c1cc(Cl)c(CN)cc1F 2120880782 DTYYBTCVHKQKPW-CYBMUJFWSA-N 304.733 3.487 10 10 DGCE COc1cccc(C(=O)Nc2c(Cl)ccc3nonc23)c1F 1321388617 NSCPVNWTDWZTMP-UHFFFAOYSA-N 321.695 3.276 10 10 DGCE O=C(NCCCSc1nccs1)[C@H]1CCC[C@H](F)C1 1325877746 GYSZGUMJAYCFLN-QWRGUYRKSA-N 302.440 3.270 10 10 DGCE CN(CCCF)c1ccc(C=CC(=O)O)c(Br)c1 1911891410 XPCALCWDSOTPOH-UHFFFAOYSA-N 316.170 3.343 10 10 DGCE CC/C(C)=C\C(=O)N[C@H](C)[C@@H](C)NCc1ccc(OC)c(C)c1 1275395756 WVRMTNZZHQKILF-JYGGGOIPSA-N 318.461 3.343 10 10 DGCE C/C(=C/c1cccnc1)C(=O)N(C)c1cccnc1N1CCCC1 1516053907 KOIZLHRBUHBNCW-SQFISAMPSA-N 322.412 3.143 10 10 DGCE CN(C)c1ccc(CN(C)c2c(F)cccc2[N+](=O)[O-])cc1 1458068313 JCGXXCMEWBVLEB-UHFFFAOYSA-N 303.337 3.436 10 10 DGCE C[C@@H](CC(=O)NCc1cc(O)ccc1O)c1ccc(F)cc1F 1455355639 DSKVDMOLROTPFU-JTQLQIEISA-N 321.323 3.186 10 10 DGCE C[C@@H](CO)[C@@](C)(NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1927333529 GTYKPOXXIXWVSL-SCLBCKFNSA-N 322.449 3.121 10 10 DGCE Cc1cccc(CCC(=O)NCc2ccc3cccnc3c2O)c1 1639621386 CAPOUBBATVSLJW-UHFFFAOYSA-N 320.392 3.498 10 10 DGCE C[C@H](NC(=O)CCc1nc2ccccc2o1)c1ccccc1O 1643741899 FFJSOZPVZPXQHD-LBPRGKRZSA-N 310.353 3.343 10 10 DGCE CC(C)c1ccc(CCNC(=O)Cc2ccc(O)c(O)c2)cc1 1586861057 FWKUAWLWQJTFKN-UHFFFAOYSA-N 313.397 3.123 10 10 DGCE Cc1cccc(-c2c(NC(=O)c3cccc(O)c3O)n[nH]c2C)c1 1654080727 PWTFFMDXFJKBAO-UHFFFAOYSA-N 323.352 3.357 10 10 DGCE O=C(NCc1cccc(O)c1O)c1c[nH]cc1-c1ccccc1 1651173212 UMBHTTDIGOZTRU-UHFFFAOYSA-N 308.337 3.023 10 10 DGCE CC[C@H](Cc1ccccc1C)C(=O)NCc1cc(O)ccc1O 1651225725 WFMKEDQSHGZXCL-CQSZACIVSA-N 313.397 3.291 10 10 DGCE C/C(=C\c1ccc(Cl)cc1)C(=O)NCc1c(O)cccc1O 1597574911 VIEBLKNZCKPHLE-PKNBQFBNSA-N 317.772 3.471 10 10 DGCE CC(C)N(CCN=[N+]=[N-])C[C@@H]1CCCN1C(=O)OC(C)(C)C 1962299117 KOFUFAZMFQSIHC-ZDUSSCGKSA-N 311.430 3.407 10 10 DGCE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[C@H](N)c1ccccc1O 1936972946 DLKHWVMPCSJMAL-XNRPHZJLSA-N 320.433 3.285 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H](C[C@H](N)c1ccccc1O)C1CC1 1936973565 HGKZUKBFMTVVFK-HIFRSBDPSA-N 320.433 3.333 10 10 DGCE CN[C@@H](CC1CC(NC(=O)OC(C)(C)C)C1)c1ccccc1O 1936971134 SLMBSGNSLBLNMY-PIMMBPRGSA-N 320.433 3.346 10 10 DGCE CCCNCc1ccc(N(C)C[C@H](C)O)cc1C(F)(F)F 167374903 MRZLTPHOEFBVHR-NSHDSACASA-N 304.356 3.022 10 10 DGCE CCOc1c(/C=C2/C(=O)N(CC)N=C2CC)cccc1OC 1865670064 GTEPGZRZWCIAAS-ACCUITESSA-N 302.374 3.105 10 10 DGCE COc1ccc(Br)c(CNC2(C)CC=CC2)c1O 1964606194 PKQVYCMNVIAEEB-UHFFFAOYSA-N 312.207 3.362 10 10 DGCE c1cc2c(cc1CNCC1CCC3(CC1)OCCO3)CCCO2 1964568642 SQVSHKGZJYLRFG-UHFFFAOYSA-N 317.429 3.035 10 10 DGCE Cc1cccc(O)c1CN[C@@]1(C)CCN(Cc2ccccc2)C1 1976899469 YPVOYGNLIDAYDI-FQEVSTJZSA-N 310.441 3.455 10 10 DGCE Oc1ccc(Br)cc1CN[C@H]1C[C@H]1C(F)(F)F 1998614433 LMSWSUGAJBAAAY-BDAKNGLRSA-N 310.113 3.195 10 10 DGCE CN(CC1(F)CCC1)c1ccc(CN)c(Br)c1 2008519094 VADCSTJXALWIMC-UHFFFAOYSA-N 301.203 3.236 10 10 DGCE CN(Cc1ccccc1)[C@H]1CCN(c2ccc3c(c2)CC[C@H]3N)C1 2012699413 FEEIMQKDWYTGGO-PZJWPPBQSA-N 321.468 3.343 10 10 DGCE Oc1ccc([C@@H]2Nc3cccc(Br)c3O2)cc1O 2027921292 VGIUVLWTLRXTHL-CYBMUJFWSA-N 308.131 3.363 10 10 DGCE O=C1NC(=S)SC1=CC1=Cc2cc(Cl)ccc2OC1 2040491498 YTBXYDLHYXFXJZ-UHFFFAOYSA-N 309.799 3.148 10 10 DGCE C[C@H](O)c1ccc(N2C[C@H]3C[C@H]2[C@@H]2C[C@H]32)c(Br)c1 2041511237 QBRVUQDYADKYDW-GTLXJZANSA-N 308.219 3.347 10 10 DGCE COc1ccc(O)c(Cn2nc(C3CCC3)c(C(F)F)c2N)c1 2079712209 MGAWJHNUIMEFGH-UHFFFAOYSA-N 323.343 3.433 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2CCC=CBr 2051113457 VZXVQQRPLIXXTK-UHFFFAOYSA-N 311.223 3.250 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)c2cccc(Br)n2)CC1 2099340813 GETQUXNGDHNXJZ-VIFPVBQESA-N 324.182 3.149 10 10 DGCE Cc1sc(C(=O)NCCN=[N+]=[N-])c(C)c1Br 2210636109 RWTCLAPORAQZDP-UHFFFAOYSA-N 303.185 3.168 10 10 DGCE C[C@@H]1CCC[C@@H](CN(C)c2cc(Cl)c(CN)cc2F)O1 2235222537 HQIHXNTXPKZPSI-PWSUYJOCSA-N 300.805 3.332 10 10 DGCE CCn1cc(N2C(=O)C(=Cc3ccccc3)SC2=S)cn1 2297436683 CNJXITXZNPSEOJ-UHFFFAOYSA-N 315.423 3.309 10 10 DGCE O=C(/C=C/c1cnccn1)N(CC(F)F)c1cccc(Cl)c1 492081782 CLJAZIVOONFPRM-SNAWJCMRSA-N 323.730 3.442 10 10 DGCE Cc1ccc(CNC(=O)C2CC=CC2)c(O)c1Br 2327585543 HJSGUDPNJLULBG-UHFFFAOYSA-N 310.191 3.046 10 10 DGCE N=C1/C(=C/c2ccc(O)cc2)C(=O)N=C2Sc3ccccc3N12 102610715 PTQNZCBHLFGDAJ-LRMJRWEHSA-N 321.361 3.261 10 10 DGCE O=[N+]([O-])c1ccc(O)c(CN2CCS[C@H]3CCCC[C@@H]32)c1 177209638 AELVXCAKAQPXFY-ZFWWWQNUSA-N 308.403 3.160 10 10 DGCE Cc1cc2cc(N)ccc2n1C(=O)[C@H](C)Cc1ccc(O)c(O)c1 170024699 JMMFNTCLLMKACT-LLVKDONJSA-N 324.380 3.462 10 10 DGCE C[C@@H](CC(=O)O)[C@@H]1CCCN(Cc2c(O)cccc2Cl)C1 128842930 GYMGMZTYZJLPJN-NWDGAFQWSA-N 311.809 3.368 10 10 DGCE COc1ccc(Cl)cc1NC(=O)Nc1cc(O)c(O)c(O)c1 217278640 QHEZRQNOGTXGEQ-UHFFFAOYSA-N 324.720 3.109 10 10 DGCE C[C@]12CC[C@@]1(C)C(=O)N(c1c(Cl)cc(N)cc1Cl)C2=O 2365785847 NICKPZXXTZWKMU-OKILXGFUSA-N 313.184 3.255 10 10 DGCE C[C@H](N)c1ccc(N(C)[C@H]2CCSC2)cc1Br 235502332 KBQDADQXIAOXEU-ONGXEEELSA-N 315.280 3.411 10 10 DGCE C[C@H](N[C@H]1Cc2ccccc2[C@H]1O)c1cc(Cl)ccc1O 248521371 RNLSVBIIMRVJFK-GLZQIGESSA-N 303.789 3.355 10 10 DGCE CCn1ncc(CN[C@@H](C)c2ccc(Cl)c(Cl)c2O)n1 527922175 CNVHBXBPPNFKST-QMMMGPOBSA-N 315.204 3.161 10 10 DGCE CCOc1ccc(O)c(CN2CCC(c3c[nH]nc3C)CC2)c1 375265735 BOICMNZCSCYPAP-UHFFFAOYSA-N 315.417 3.202 10 10 DGCE Oc1ccc(Cl)c(F)c1CN1CCC(c2cnc[nH]2)CC1 377209399 WPRGUZOEGINVEP-UHFFFAOYSA-N 309.772 3.287 10 10 DGCE CN[C@@H](c1ccc(N2CCCC2)cc1)[C@H]1CSCCS1 2163093966 HJTNBYKCWDXODD-CVEARBPZSA-N 308.516 3.396 10 10 DGCE Oc1ccc(CNCCc2ccccc2Br)cc1O 2131229375 KYXLVWYFAXROHP-UHFFFAOYSA-N 322.202 3.193 10 10 DGCE Oc1c(F)ccc(F)c1[C@H](c1cccs1)N1CCOCC1 575302540 NZPAUXHSRHTCTI-AWEZNQCLSA-N 311.353 3.154 10 10 DGCE C[C@@H]1C[C@H]1CNC(=O)N(Cc1ccco1)Cc1ccccc1O 726100831 XPALTPOXEBTEGC-HIFRSBDPSA-N 314.385 3.353 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@H]2CCN(c3ccccn3)C2)cc1 835042831 YGHWEXKNMSDNET-XFHJGTJQSA-N 322.456 3.029 10 10 DGCE Cc1ccc(O)c(CNC(=O)[C@@H]2CCOC3(CCCC3)C2)c1 913000565 NPBXEWSJYJBSRN-CQSZACIVSA-N 303.402 3.056 10 10 DGCE C[C@H](O)[C@@H](NCc1cc(Cl)ccc1O)c1ccccc1F 846017948 RIMPFWQBVWTVPK-MGPLVRAMSA-N 309.768 3.396 10 10 DGCE C/C(=C/c1ccncc1)C(=O)NCCCSc1nccs1 847487994 PLAJSFMOLIYELQ-QXMHVHEDSA-N 319.455 3.240 10 10 DGCE C/C(=C\c1ccncc1)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 846976834 HKNOGDFOQGVCEZ-SZGUKTLCSA-N 309.413 3.428 10 10 DGCE CC[C@@H](N[C@H]1CCN(C2CCC2)C1=O)c1cccc(Cl)c1O 858602852 KFHLDLCKZWWOCD-CABCVRRESA-N 322.836 3.240 10 10 DGCE COc1ccccc1[C@@H](C)NC(=O)NCc1cc(C)ccc1O 858091916 JYISZNJPNJKBKL-CYBMUJFWSA-N 314.385 3.270 10 10 DGCE C[C@@H]1C[C@@H](NCc2cc(-c3ccccc3)ccc2O)c2ncnn21 850352455 XBRRRFKXHFFGJI-CXAGYDPISA-N 320.396 3.446 10 10 DGCE C[C@@H](CNCc1ccc(N2CCOCC2)cc1)Cc1ccccc1 753966752 ITCLFCWYIMWBAC-GOSISDBHSA-N 324.468 3.492 10 10 DGCE CCOc1cc(F)cc(/C=C2/SC(=S)N(CC)C2=O)c1 864363672 TWCHPCPIOYBTOE-KPKJPENVSA-N 311.403 3.446 10 10 DGCE CC(C)(C)OC(=O)c1ccc(/C=C2/SC(=S)NC2=O)cc1 764888932 OKWSNSNFGBAKKK-DHZHZOJOSA-N 321.423 3.131 10 10 DGCE CN(C)c1cc(F)c(CNc2cnn3c2CCCC3)cc1F 865708651 UNUJHDPGWZLRCF-UHFFFAOYSA-N 306.360 3.176 10 10 DGCE Nc1ccc(OCCSc2ncnc3sccc23)cc1 57839492 NHATZBSICLXONR-UHFFFAOYSA-N 303.412 3.445 10 10 DGCE C/C(=C/c1cccnc1)C(=O)N1CC2(CC2)Oc2ccccc21 890618672 WYWYORNNFWJSGN-KAMYIIQDSA-N 306.365 3.443 10 10 DGCE COc1ccc(N(CC(C)C)C[C@@H](O)CC(F)(F)F)cc1 787258737 CETQRQPBMOPKNK-ZDUSSCGKSA-N 305.340 3.471 10 10 DGCE CC(C)Nc1ccc(F)cc1NC(=O)Cc1ccc(O)c(O)c1 1137155321 QAPGJRCGDCUFJH-UHFFFAOYSA-N 318.348 3.238 10 10 DGCE C[C@H](N)c1ccc(N2CC(OCC(F)(F)F)C2)c(Cl)c1 707640210 JFCAHRLMDXTZBB-QMMMGPOBSA-N 308.731 3.127 10 10 DGCE CCOC(=O)[C@H](NCCN=[N+]=[N-])c1ccc(Cl)c(Cl)c1 90257492 MTKYNNVFMMGNDR-LLVKDONJSA-N 317.176 3.498 10 10 DGCE CCC(C)(C)C(=O)N[C@@H](C)CNCc1ccc(OC)c(C)c1 1268702042 QWNGNMWNKFAKAD-AWEZNQCLSA-N 306.450 3.034 10 10 DGCE Cc1cccc(CN(C)c2ccc(CN)cc2Br)n1 213042911 ROGPATTVQODEBJ-UHFFFAOYSA-N 320.234 3.248 10 10 DGCE CCN[C@@H](c1ccccc1O)[C@]1(C)CCN1C(=O)OC(C)(C)C 1912946834 XRLSUYQJCGQXLE-YJBOKZPZSA-N 320.433 3.442 10 10 DGCE Cc1ccc(O)c([C@@H](C)NCC=CCNC(=O)OC(C)(C)C)c1 1911691763 AFFOUGXPKQLYEB-CQSZACIVSA-N 320.433 3.432 10 10 DGCE [N-]=[N+]=N[C@H]1CCN(C(=O)c2cc(F)ccc2Br)C1 1912183926 UTTDWBJWCURODB-QMMMGPOBSA-N 313.130 3.113 10 10 DGCE Cc1ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(F)c1F 1447561005 HGEZFKZATUFHPX-JTQLQIEISA-N 321.323 3.045 10 10 DGCE CC[C@@H](O)CN(Cc1ccccc1)c1ccc([C@H](C)N)c(O)c1 1915388406 HIRKYYOWFQBDBP-WMLDXEAASA-N 314.429 3.189 10 10 DGCE COc1cc2c(c(OC)c1)N(C[C@H]1CC(C)(C)CO1)CCC2 1460245962 BRLQPAIIBIAPAJ-OAHLLOKOSA-N 305.418 3.272 10 10 DGCE Cc1cc(NCc2ccc(O)c(O)c2)cnc1Br 227541688 HIBJRESPPJGSGY-UHFFFAOYSA-N 309.163 3.176 10 10 DGCE C[C@H](NC(=O)c1c[nH]c2nccc-2c1)c1ccc(N(C)C)cc1 1633315000 AXZVAXSCKHOANA-LBPRGKRZSA-N 308.385 3.072 10 10 DGCE O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@@H]1CCC=CO1 1638269435 XUFYIAOTDCRZEQ-AWEZNQCLSA-N 320.352 3.028 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)NCC1CC(c2ccccc2)C1 1773075952 IDRVFBDHEHYCHW-CLFYSBASSA-N 323.392 3.421 10 10 DGCE CC(C)(C)OC(=O)N1CCN(CCCCN=[N+]=[N-])C2(CC2)C1 1962304272 MDMSWBFVWRQLHF-UHFFFAOYSA-N 309.414 3.162 10 10 DGCE C[C@H](c1ccccc1O)N(C)C(=O)c1cccc(N)c1Cl 160284145 BZBKNRXDALAEAC-SNVBAGLBSA-N 304.777 3.461 10 10 DGCE Nc1ccc(NC(=O)Cc2ccc(F)c(Br)c2)cc1 160410291 FKJRRIIPXOPKQL-UHFFFAOYSA-N 323.165 3.352 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[C@@H](N)c2ccccc2O)C1 1936967293 GDVWPDKMWXGSFK-GZBFAFLISA-N 320.433 3.476 10 10 DGCE Cc1scnc1CNCc1ccc(Br)cc1O 1947325722 ASXCNHMUUNAZFB-UHFFFAOYSA-N 313.220 3.209 10 10 DGCE NC[C@H]1CCC2(CCC2)[C@@H]1Nc1c(N)cccc1Br 1876204395 WWIYVAQCLJDJGR-QMTHXVAHSA-N 324.266 3.351 10 10 DGCE CC1(C)CCO[C@H]1CNCc1cccc(Br)c1O 1967840363 DXUFBNQGQWZMJQ-LBPRGKRZSA-N 314.223 3.059 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CC[C@@H]([C@@H]2CCCN2)C1 1967977658 ABHWVEKFKJDOPJ-YGRLFVJLSA-N 315.244 3.273 10 10 DGCE CN(C[C@@H]1CCCN(c2ccc(N)cc2)C1)C(=O)OC(C)(C)C 1977966948 AMCUXTQBYSIQBY-AWEZNQCLSA-N 319.449 3.352 10 10 DGCE C[C@@H]1N(Cc2ccccc2)CC[C@@]1(N)c1ccc(N(C)C)cc1 1977960738 WGHWNYWEPQHTHC-JXFKEZNVSA-N 309.457 3.201 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H](COc2ccc(N)cc2)C12CC2 1992517957 VKCUPMJDNDUHRF-ZDUSSCGKSA-N 318.417 3.437 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1C[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2C1 718242608 IPXHGYRSHIGURI-VWUVDNNOSA-N 314.212 3.308 10 10 DGCE Cc1ccc(O)c([C@@H](C)NCc2nn(C)cc2Br)c1 393355370 OUYUHVHFGCWABP-SNVBAGLBSA-N 324.222 3.047 10 10 DGCE Cc1ccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)c(O)c1 1308890107 VJHPOYZUDZNNMM-HIFRSBDPSA-N 320.433 3.188 10 10 DGCE Oc1cccc(Br)c1CNCc1cnoc1C1CC1 2093961542 RIHJTBBNSXGWMB-UHFFFAOYSA-N 323.190 3.310 10 10 DGCE COc1ccc(Br)c(CNc2ccc(C)nc2)c1O 2227748025 IWYNPULCWKJAJT-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE CN(C[C@@H]1CCC1(F)F)c1ccc(CN)c(Br)c1 2313762383 MBWHTSVUUVFEKX-JTQLQIEISA-N 319.193 3.389 10 10 DGCE COCCCCCNCc1ccc(C)c(Br)c1O 2327802443 ZCRXWHXKPQLCKO-UHFFFAOYSA-N 316.239 3.369 10 10 DGCE CC(C)n1ncc2ccc(NC(=O)Cc3ccc(N)cc3)cc21 178468861 FDMJAGILELMSQZ-UHFFFAOYSA-N 308.385 3.381 10 10 DGCE COc1ccc(O)c([C@H](C)N(CCCN)Cc2ccccc2)c1 303984422 DNSYMDVNWJYVAI-HNNXBMFYSA-N 314.429 3.313 10 10 DGCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@H]1CCC[C@H]1O 1894532923 NEZPMQQQCYQJRF-HZPDHXFCSA-N 320.433 3.061 10 10 DGCE CCOCCOCCSc1ncc(CN[C@@H](C)CC)s1 2365618985 ZGSLFJHARDHTDL-LBPRGKRZSA-N 318.508 3.176 10 10 DGCE Cc1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)s1 184926304 LJPHRKZMHBRCGM-SECBINFHSA-N 306.387 3.220 10 10 DGCE CS(=O)(=O)c1ccc(Nc2ccc3c(c2)CCCN3)cc1 71215007 QTEKWELBKZWJOZ-UHFFFAOYSA-N 302.399 3.192 10 10 DGCE c1csc(SCCCN[C@@H]2[C@H]3CCO[C@H]3C23CCC3)n1 194047607 XZTJKJQUMSVZNF-JHJVBQTASA-N 310.488 3.173 10 10 DGCE CSc1ncc(CN[C@]2(C(=O)O)CCC[C@@H](C)[C@@H]2C)s1 2371711649 DHTYIEJBIWHRDJ-ISTVAULSSA-N 314.476 3.234 10 10 DGCE CC[C@@H]1CCCC[C@@]1(NCc1cnc(SC)s1)C(=O)O 2371808516 QJDARWXCBHMIOM-YGRLFVJLSA-N 314.476 3.378 10 10 DGCE CCCN(CCC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 244237646 WFDJOKPGXZBJDG-UHFFFAOYSA-N 319.449 3.059 10 10 DGCE COc1ccc(NC(=S)N(C(C)=O)c2ccc(N)cc2)cc1 244014117 SMOCWSDPHIBFCY-UHFFFAOYSA-N 315.398 3.027 10 10 DGCE COc1cc(Cl)c(C)cc1NC(=O)Cc1ccc(O)c(O)c1 242892652 GMYFTRLIIQVCBQ-UHFFFAOYSA-N 321.760 3.249 10 10 DGCE Cc1cc(C(=O)N2CCCOCC2)c(C)n1-c1ccc(F)cc1 374026768 JKRBJWHUCKOWGF-UHFFFAOYSA-N 316.376 3.096 10 10 DGCE CC(=O)N1CCN(Cc2cc(-c3ccccc3)ccc2O)[C@@H](C)C1 271173734 IRRZOYMYPLZWHQ-HNNXBMFYSA-N 324.424 3.112 10 10 DGCE Cc1cc(C)c([C@@H](C)NCc2ccc(CO)c(F)c2)c(O)c1 285321009 TVWUPUNJNWIXPT-CYBMUJFWSA-N 303.377 3.491 10 10 DGCE CC(=O)c1cc(F)cc(CN2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1O 298225107 GPVJPRPTACTATC-HIFRSBDPSA-N 313.319 3.211 10 10 DGCE CCOc1ccc(O)c(CN2CCOC[C@@H]2CC2CCC2)c1 816667799 XHQNBFUHIKLJMR-INIZCTEOSA-N 305.418 3.182 10 10 DGCE COC(=O)[C@H](CC(C)C)N(C)Cc1cc(Cl)cc(F)c1O 814179265 QIJLAUPZNIYHET-ZDUSSCGKSA-N 317.788 3.204 10 10 DGCE Oc1ccccc1CN(Cc1ccco1)Cc1cnn2c1CCC2 824474805 UABXDSRCJVZESW-UHFFFAOYSA-N 323.396 3.330 10 10 DGCE Cc1cc(O)c(CN[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)cc1C 824643915 LZYMVCFFVSJKSN-ZIAGYGMSSA-N 322.449 3.400 10 10 DGCE C[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCCO1 908210742 CKVOHPZBRBXMAB-QPUJVOFHSA-N 318.200 3.130 10 10 DGCE CC[C@@H](NC[C@@]1(OC(C)C)CCOC1)c1ccc(C)cc1O 903357570 NUDONISHGNSPBC-AEFFLSMTSA-N 307.434 3.325 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)[C@H](OC)C2CCCCC2)c1 830540826 NXJDMLBCJMDCNS-YVEFUNNKSA-N 321.417 3.173 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)NCC1CCCCC1 734652664 PPBVPCTZWNIQHE-UHFFFAOYSA-N 303.450 3.441 10 10 DGCE C[C@@H](CC(=O)NCc1c(O)ccc2c1CCCC2)[C@H]1CCCO1 830559325 MWMIVCLLSDTZGC-SCLBCKFNSA-N 317.429 3.092 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@@H]2CCO[C@@H](C3CC3)C2)cc1 835046717 MGROWFYTGGKNDS-JFZXIXNHSA-N 300.446 3.313 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCC([C@H]3CCNC3)CC2)cc1 843127015 NXFXOVWBEVWKFW-LLHWWHOWSA-N 313.489 3.087 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@@H](C2CC2)[C@H]2CCCCO2)c1 848558902 PPBRQOITBNMPOL-RZAIGCCYSA-N 305.418 3.399 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1C[C@H]2CC[C@H]1C2 745829480 FNDKEGXQQQHUCW-JDFRZJQESA-N 314.429 3.259 10 10 DGCE Oc1cc2c(cc1CN1CCOC[C@H]1c1ccccc1)CCC2 743403717 XGPCVQXXSGLNOZ-IBGZPJMESA-N 309.409 3.454 10 10 DGCE CCOCc1cc(CNC[C@@]2(C)CCCCO2)ccc1OC 922818061 UARKSJAWHJBDNB-GOSISDBHSA-N 307.434 3.281 10 10 DGCE c1ccc(COc2ccc(N3CC([C@H]4CCNC4)C3)cc2)cc1 1899852393 PDABVLWSTPAYGA-KRWDZBQOSA-N 308.425 3.311 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)c3ccccc3)C2)cc1 855228081 UXEFZUNJYUBXJQ-RDJZCZTQSA-N 324.424 3.194 10 10 DGCE C[C@@H]1C[C@@H](NC[C@@H](O)Cc2ccccc2)c2c(O)ccc(F)c21 756547677 GFLUYATTWWXVJS-IVMMDQJWSA-N 315.388 3.273 10 10 DGCE C[C@H](N[C@@H]1C[C@H](O)C12CCC2)c1cc2c(cc1O)CCCC2 850547771 WAFZDMJSCDSHDO-RZAIGCCYSA-N 301.430 3.225 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)[C@@]3(C)CC=CCC3)C2)cc1 855222818 AZNGIKDQTGVCOK-BEFAXECRSA-N 314.429 3.137 10 10 DGCE C[C@H](N[C@@H]1CCCSCC1)c1ccc(N2CCOCC2)cc1 850427888 GKEBPEDMQWNFAO-DOTOQJQBSA-N 320.502 3.460 10 10 DGCE Nc1ccc(CCNC(=O)C[C@@]23CCCC[C@H]2C3(F)F)cc1 851632525 RHVYAZJNUWLQNK-ZBFHGGJFSA-N 308.372 3.143 10 10 DGCE O=c1cc(CSc2ncc(Cl)s2)nc2ccccn12 764999532 BRAPWHPHYXBWRJ-UHFFFAOYSA-N 309.803 3.097 10 10 DGCE Cc1noc(C)c1[C@@H](C)CNC(=O)N[C@@H](C)c1ccccc1O 868432840 GABDYALFNGPBRN-QWRGUYRKSA-N 317.389 3.161 10 10 DGCE CO[C@@H]1CC[C@@H](C)N(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 868515930 XDEUFTMTXAASBT-JKIFEVAISA-N 319.449 3.023 10 10 DGCE O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1=CCC1 779925100 JOVDTZHWFYJXGU-UHFFFAOYSA-N 322.355 3.093 10 10 DGCE COc1cc(C)cc(CN2Cc3ccccc3OC[C@@H]2C)c1O 782286040 BPXGKVOGYFGZFT-AWEZNQCLSA-N 313.397 3.492 10 10 DGCE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CNc1ccc(N)cc1 1959367996 QUNSJCHBERKIBE-STQMWFEESA-N 305.422 3.184 10 10 DGCE CNCc1cc(F)c(N2CCCC[C@@H](SC)C2)c(F)c1 687917083 DRRUPPBJFTWADP-GFCCVEGCSA-N 300.418 3.406 10 10 DGCE COc1ccc(CNCc2cc(-c3ccccc3)n[nH]2)c(O)c1 793385376 AFCWVJZTZKZPII-UHFFFAOYSA-N 309.369 3.081 10 10 DGCE COc1ccc(O)c(CNC(=O)[C@@H]2[C@@H](C)[C@H]2c2ccccc2)c1 797745144 WNZNNQUBUPQJIU-UYHISHBKSA-N 311.381 3.067 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2ccc(-c3ccccn3)nc2)c1 1167293646 MQZGTCOUFCBLAN-UHFFFAOYSA-N 319.364 3.088 10 10 DGCE Cc1ccc(O)c(CNC(=O)[C@H](O)C2CCCCCCC2)c1 1167293383 AKENQCKDQOPNSP-QGZVFWFLSA-N 305.418 3.038 10 10 DGCE CC[C@](C)(C(=O)OC)N(Cc1ccc(N(C)C)cc1)CC1CC1 1171371682 YQBKVHVPJRTOOB-LJQANCHMSA-N 318.461 3.306 10 10 DGCE Cc1ccnc(C)c1CNCc1ccc(Br)cc1O 2129797013 JBRKBXVLVHCPCH-UHFFFAOYSA-N 321.218 3.456 10 10 DGCE COc1cc(O)c(CNCc2ccc(C)nc2Cl)cc1OC 1338287245 BRALQFOHWLMFPP-UHFFFAOYSA-N 322.792 3.056 10 10 DGCE CCN(CC(=O)N(C)[C@H](C)CC(C)C)c1ccc(OC)cc1 1191837908 GHBLRCKVGQMMEP-OAHLLOKOSA-N 306.450 3.415 10 10 DGCE CC1(C)C[C@@H](CN)CN1Cc1cc(Cl)cc(Cl)c1O 2132469431 UAWMNWFYWJJUKW-VIFPVBQESA-N 303.233 3.258 10 10 DGCE O=C(O)C=Cc1ccc(N2C[C@H]3CC[C@H]3C2)cc1Br 1911867719 YQEXECJQQAHMKV-TXEJJXNPSA-N 322.202 3.393 10 10 DGCE O=C(Nc1cccc(N2CCCC2)c1)c1cccc(F)c1O 1357843803 DSZQVCIDDLRSSQ-UHFFFAOYSA-N 300.333 3.384 10 10 DGCE Cc1nsc(Br)c1C(=O)NCCCCN=[N+]=[N-] 1912174631 BREONSDDOUPCNQ-UHFFFAOYSA-N 318.200 3.034 10 10 DGCE O=C(C[C@@H]1OCc2cc(Cl)ccc21)NCc1ccccc1O 1445967588 CQSJGDLSPVCEED-INIZCTEOSA-N 317.772 3.323 10 10 DGCE CN(CC1=CCSC1)c1ccc(CO)c(C(F)(F)F)c1 1916785404 BSBIBROJHMJPDZ-UHFFFAOYSA-N 303.349 3.307 10 10 DGCE O=C(O)C=Cc1ccc(N2CC(F)(F)C2)c(Br)c1 1917019696 JNNJUDQANMAWTL-UHFFFAOYSA-N 318.117 3.002 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)Nc2cc(Cl)ccc2O)cc1 1295350706 KQZLALSSMRLLSL-UHFFFAOYSA-N 318.720 3.460 10 10 DGCE Cc1ccc(C(=O)N2CC([C@@H]3CCC[C@@H](C)C3)C2)c(O)c1O 1455012252 YONIHULFEWGVLE-DGCLKSJQSA-N 303.402 3.305 10 10 DGCE CCC1=NN(CC)C(=O)/C1=C/c1ccc(Br)cc1 1865679904 MFVOCWDYFURDFK-FMIVXFBMSA-N 307.191 3.461 10 10 DGCE C[C@H](NC(=O)CCCc1nccs1)c1ccc(N(C)C)cc1 1616834774 MHQBWENQLQXKMF-ZDUSSCGKSA-N 317.458 3.409 10 10 DGCE CCc1nc(NCc2cc(O)ccc2O)c2ccsc2n1 1612844962 UCHPGXZZSIZCKI-UHFFFAOYSA-N 301.371 3.277 10 10 DGCE COC1CC(CCNCc2cc(Br)ccc2O)C1 850343586 PKWDAKANSCEQDT-UHFFFAOYSA-N 314.223 3.059 10 10 DGCE CN(C)c1ccc(CNC(=O)c2cccc(-c3cnco3)c2)cc1 1628707944 DWJBBDOYFLTNNZ-UHFFFAOYSA-N 321.380 3.338 10 10 DGCE C[C@H](NCCc1nc(-c2ccccc2)no1)c1ccccc1O 1620505410 YYBYMOYZNGQZSO-ZDUSSCGKSA-N 309.369 3.336 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@](C)([C@@H](N)c2ccccc2O)C1 1928472693 SSSVKIHGZIMRNA-WMLDXEAASA-N 306.406 3.039 10 10 DGCE CC(C)(C)OC(=O)N[C@@H](CC1CC1)[C@@H](N)c1ccccc1O 1928471613 WBRGDAYEDMLWJJ-ZFWWWQNUSA-N 306.406 3.085 10 10 DGCE COCCCN(Cc1ccccc1)c1ccc(CN)cc1F 1931956592 DABOVFPACUYMRT-UHFFFAOYSA-N 302.393 3.328 10 10 DGCE Cc1cccc(CNCCc2nccn2Cc2ccccc2)c1O 1942379584 ZVKBGYLTEIMFOB-UHFFFAOYSA-N 321.424 3.278 10 10 DGCE CCSC1CN(c2ccc(CNC)c(Br)c2)C1 1948317603 GDXLMRWSCMFFKM-UHFFFAOYSA-N 315.280 3.110 10 10 DGCE Cc1cc(N2CCCSC[C@@H]2C(F)(F)F)ccc1CN 2143598045 KZSCKNVAYWOLDL-CYBMUJFWSA-N 304.381 3.328 10 10 DGCE C[C@H]1CN(Cc2ccc(N(C)C)cc2)CCN1Cc1ccccc1 1195113834 PUYZXAMXFGSRSJ-SFHVURJKSA-N 323.484 3.459 10 10 DGCE CC(C)(C)OC(=O)N1CC(=O)C[C@H]1c1cccc(Cl)c1O 1951966412 HIBCTXDXQMRLGC-LBPRGKRZSA-N 311.765 3.297 10 10 DGCE CC(C)[C@@H](CNCc1cc(Cl)cc(Cl)c1O)N(C)C 20547520 ODBGNISBHBUCCB-CYBMUJFWSA-N 305.249 3.375 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CCN(c2ccc(N)cc2)C2(CC2)C1 1977939442 QCZWPEYWGQGLQB-AWEZNQCLSA-N 317.433 3.295 10 10 DGCE CNCc1ccc(N(CCOC)Cc2ccccc2)cc1OC 1994424507 HACUHKHCVBIKSJ-UHFFFAOYSA-N 314.429 3.068 10 10 DGCE CN(Cc1cccc(Br)c1O)[C@H]1CCC[C@H]1F 2006807600 ODEWZHWNPATLKH-NEPJUHHUSA-N 302.187 3.477 10 10 DGCE C[C@@H]1C[C@@H](N(C)c2ccc([C@@H](C)N)c(Br)c2)CO1 401560705 GHQCFCZPQLLPRF-CKYFFXLPSA-N 313.239 3.082 10 10 DGCE [N-]=[N+]=NCCCN[C@H](C(=O)O)c1cc(Cl)sc1Cl 312687118 HVTASWLKNHHJSC-ZETCQYMHSA-N 309.178 3.471 10 10 DGCE CS[C@@H]1CCCN(c2ccc(CN)cc2C(F)(F)F)C1 382923722 CWCQCRUKABTBSI-LLVKDONJSA-N 304.381 3.496 10 10 DGCE CC(C)N[C@]1(C(=O)O)CCC[C@@H](Sc2nccs2)[C@H]1C 2175822032 BDXPXXOWDGVISK-JTNHKYCSSA-N 314.476 3.245 10 10 DGCE Oc1cc(Br)ccc1CN[C@@H]1[C@H]2CCC(F)(F)[C@H]21 2051222403 DGVHQARAOKGSRC-MVWJERBFSA-N 318.161 3.288 10 10 DGCE C[C@H](N)c1cc(F)c(N2CC(SC(F)(F)F)C2)c(F)c1 2237485283 WHTFKCQSCFSJHU-LURJTMIESA-N 312.307 3.426 10 10 DGCE Cc1cccc(NC(=O)OC(C)(C)C)c1C(=O)NCCN=[N+]=[N-] 2243558327 SCZXYXDKVXKBSS-UHFFFAOYSA-N 319.365 3.382 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN(C(=O)c2cc(Br)co2)C1 2258129842 YUAVPBWDEXDQGU-QMMMGPOBSA-N 313.155 3.205 10 10 DGCE Cc1cc(C=C2SC(=S)NC2=O)c(OC(F)F)cc1C 2297683507 HFXBTPVKQOCYMC-UHFFFAOYSA-N 315.366 3.394 10 10 DGCE Cc1cncc(C=CC(=O)N2CCCc3ccc([N+](=O)[O-])cc32)c1 2302375723 XNLDFTGIOVXNNC-UHFFFAOYSA-N 323.352 3.291 10 10 DGCE Cc1cccc(C=C2SC(=S)N(C)C2=O)c1OC(F)F 2307554376 DEJUUPACHQRWOW-UHFFFAOYSA-N 315.366 3.427 10 10 DGCE CCCN1C(=O)C(=Cc2cc(OC)ccc2OC)SC1=S 2323693656 NGAKFMLRKCYGLJ-UHFFFAOYSA-N 323.439 3.315 10 10 DGCE CC[C@H]1CN(Cc2ccc(C)c(Br)c2O)CCO1 2327566187 AMQYTTUEWGQRSV-LBPRGKRZSA-N 314.223 3.074 10 10 DGCE CCOc1ccc(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 107946594 KMGVMSSUSLUPQO-AWEZNQCLSA-N 320.433 3.436 10 10 DGCE CC(C)[C@@H](C)CNC(=O)NCc1ccc(N2CC=CC2)cc1 172704755 SUFQTOJQSKKXAZ-HNNXBMFYSA-N 301.434 3.154 10 10 DGCE O=C(/C=C/c1ccc(N2CCOCC2)cc1)OCc1ccccc1 108670875 XRHQQNCTVSSBTE-DHZHZOJOSA-N 323.392 3.280 10 10 DGCE CCc1cc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)[nH]n1 120740239 NMWHNDQEFAYVAA-UHFFFAOYSA-N 309.373 3.027 10 10 DGCE C[C@H](N)c1ccc(N2CCN(C3CCCC3)CC2)cc1Cl 78907886 KZXBXBQNRXZCLQ-ZDUSSCGKSA-N 307.869 3.424 10 10 DGCE C[C@H](NC[C@@H](C)N(C)C(=O)OC(C)(C)C)c1ccccc1O 283187800 KICITJKRFQYRCW-OLZOCXBDSA-N 308.422 3.298 10 10 DGCE Nc1ccc(OCCC(=O)Nc2ccc(Cl)c(F)c2)cc1 49116970 FSXKIMZSNUKKQP-UHFFFAOYSA-N 308.740 3.469 10 10 DGCE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H]1c1c(N)cccc1O 1953072408 GZCJGWXMZQTVMU-LBPRGKRZSA-N 314.332 3.292 10 10 DGCE O=C(/C=C\[C@H]1CCCO1)NCc1ccc(N2CCCCC2)cc1 819183167 AJMUZNAJQXCTRK-RXQFDZFGSA-N 314.429 3.028 10 10 DGCE Cc1cc(CCNCc2ccn(C)n2)c(C)n1-c1ccccc1 727465781 RZWGICKNXWQNGA-UHFFFAOYSA-N 308.429 3.160 10 10 DGCE CC(C)O[C@]1(CN[C@@H]2C[C@@H](C)c3c(F)ccc(O)c32)CCOC1 903357234 LJLUCJYYOZYPSL-DFHBCGBQSA-N 323.408 3.253 10 10 DGCE CN1CCCc2cc(NC(=O)/C=C\c3ccc(O)c(O)c3)ccc21 588406371 CRKNHCCNNPRCDN-UITAMQMPSA-N 324.380 3.132 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 835042964 ZCXGBPKWVQBQJA-MUHBZLHNSA-N 312.457 3.313 10 10 DGCE CN(C)c1ccc(/C=C/CNCCC(=O)OC(C)(C)C)cc1 835040213 OEPQIGDTEPRJGI-VOTSOKGWSA-N 304.434 3.087 10 10 DGCE CCN(C(=O)NCc1ccc(N(C)C)cc1)C1CC(C)(C)C1 840243268 APUKDUCVMQEGRU-UHFFFAOYSA-N 303.450 3.473 10 10 DGCE CN(C)c1ccc(/C=C\CNC[C@@H]2NCCc3ccccc32)cc1 841067728 PHEVXLQWQUPJGF-RMUOZIPVSA-N 321.468 3.242 10 10 DGCE O=C(NCC[C@@H]1CCCC1(F)F)NCc1c(O)cccc1F 924005356 BZBCKVLHRKTWRF-JTQLQIEISA-N 316.323 3.156 10 10 DGCE C[C@H](NCC[C@H]1CCC2(CCC2)O1)c1cc([N+](=O)[O-])ccc1O 927127212 GOFPJUAWPYSXTH-GXTWGEPZSA-N 320.389 3.443 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)NC[C@@H]1C[C@H]1C(F)(F)F 926701134 LAGGWVBKXASUTA-OIBJUYFYSA-N 322.714 3.043 10 10 DGCE C1=CC[C@H](CCNCc2ccc(N3CCOCC3)cc2)CC1 858271311 BXWZUOITOQNZSB-KRWDZBQOSA-N 300.446 3.359 10 10 DGCE C[C@]1(CNCc2cc(Cl)cc([N+](=O)[O-])c2O)CC1(F)F 850379697 VPHZLNYFCOYTCT-LLVKDONJSA-N 306.696 3.089 10 10 DGCE CN(C)c1cc(F)c(CN[C@@H](C2CCC2)[C@@H]2CCCO2)cc1F 864053624 XPDMBGJWYGBZGY-ROUUACIJSA-N 324.415 3.468 10 10 DGCE O=C(C[C@H]1CCc2ccccc2C1)N1Cc2cccc(O)c2C1 871202893 OIHSGCCXSGBWOK-AWEZNQCLSA-N 307.393 3.430 10 10 DGCE CC1(C)Cc2cc(C(=O)N3Cc4cccc(O)c4C3)ccc2O1 871205527 GLCVRYLPYIAEPM-UHFFFAOYSA-N 309.365 3.262 10 10 DGCE C[C@@H](OC1CCCCCC1)C(=O)N1Cc2cccc(O)c2C1 871203509 MSNKFKLQGJQAGE-CYBMUJFWSA-N 303.402 3.362 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CC[C@@]23CCOC3)c1 1118061570 IWNIHZPHNFZCQJ-FQEVSTJZSA-N 324.424 3.408 10 10 DGCE Cc1cc(Cl)cc(CN(C)[C@H](C)C(=O)NC(C)(C)C)c1O 777220970 WZUULJQUZYEFQW-LLVKDONJSA-N 312.841 3.089 10 10 DGCE CC[C@H]1C[C@@H](CN(C)c2cc(OC)c(OC)c(OC)c2)CCO1 780775260 SUQXLKJCOMEBBZ-ZFWWWQNUSA-N 323.433 3.354 10 10 DGCE Cc1ccccc1CC(C)(C)NC(=O)c1ccc(C)c(O)c1O 1143500414 SPUYRLLOFVOSBB-UHFFFAOYSA-N 313.397 3.466 10 10 DGCE CCON(CC1CCCCC1)C(=O)c1ccc(C)c(O)c1O 1161350288 SLFAHKCDRWLFTA-UHFFFAOYSA-N 307.390 3.380 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H]([C@H](N)c2ccccc2O)[C@H]2C[C@H]21 1902970804 CURFHTCFLVZWOM-DCDXPUDHSA-N 318.417 3.038 10 10 DGCE CSCc1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1 1472502759 IDKRZZJBNHGYFK-UHFFFAOYSA-N 307.346 3.352 10 10 DGCE C[C@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1O 1471195293 VQMLWHFNAGIUEW-VIFPVBQESA-N 320.732 3.445 10 10 DGCE CN[C@H](c1ccccc1O)c1nccc(C)c1Br 1926805406 BBGODTWGOKAEQD-CYBMUJFWSA-N 307.191 3.167 10 10 DGCE c1ccc(/N=N/N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 1860487225 QIXQLQSYSURUIR-FMQUCBEESA-N 324.384 3.232 10 10 DGCE Nc1ccc(OCCN2C[C@@H](C3CCCCC3)OC2=O)cc1 585906501 SGTLJARGNHMPRX-INIZCTEOSA-N 304.390 3.049 10 10 DGCE C[C@@H](NCc1cc(Cl)cc(Cl)c1O)c1cncn1C 1967748110 NVSGDCOBXZOWOO-MRVPVSSYSA-N 300.189 3.283 10 10 DGCE Nc1ccc(CN[C@H]2CCCN(Cc3ccccc3)CC2)cc1 1976786966 HXBJSGFWYMVFOW-FQEVSTJZSA-N 309.457 3.413 10 10 DGCE Oc1cccc(F)c1CNc1csnc1Br 1976860170 DZPNIPVZIQVJOL-UHFFFAOYSA-N 303.156 3.362 10 10 DGCE CS(=O)(=O)c1ccc(NCc2ccc(Cl)cc2O)cc1 2146310230 YCKKAYOYWHTUBC-UHFFFAOYSA-N 311.790 3.061 10 10 DGCE C[C@H](O)CN(Cc1ccccc1)c1c(F)cc([C@H](C)O)cc1F 1990400373 OAFVNHHWRCUZTP-STQMWFEESA-N 321.367 3.406 10 10 DGCE C[C@H](Sc1nccs1)C(=O)Nc1cc(Cl)ccc1N 40676545 DASWVAFXYKTNFG-ZETCQYMHSA-N 313.835 3.498 10 10 DGCE CO[C@H](C)CCN(C)Cc1cccc(Br)c1O 2009689223 IFXZWDLYLRUIBW-SNVBAGLBSA-N 302.212 3.012 10 10 DGCE CN(Cc1ccccc1)C1CN(c2ccc3c(c2)CCC[C@@H]3O)C1 2012684228 VLMQRWBOFPLCCC-NRFANRHFSA-N 322.452 3.377 10 10 DGCE CC(C)[C@@H](CN(C)C)NCc1cc(Cl)cc(Cl)c1O 49196237 JWDQUWPQEDXKQS-CYBMUJFWSA-N 305.249 3.375 10 10 DGCE C[C@H]1C[C@H](CN(C)Cc2ccc(Br)cc2O)CO1 2040276890 VFXPGIBHRGHOPG-WDEREUQCSA-N 314.223 3.012 10 10 DGCE Nc1ccc(CNC(=O)c2ccsc2C(F)(F)F)cc1 2157625300 VVEFSJOQZCELHI-UHFFFAOYSA-N 300.305 3.279 10 10 DGCE Nc1ccc(OCCC(=O)OCc2sccc2Cl)cc1 312901946 YBNUAGHCQDHMKK-UHFFFAOYSA-N 311.790 3.496 10 10 DGCE COCCN(Cc1cc(Br)cc(F)c1O)C(C)C 715725440 OHMXWDDWAGRXCM-UHFFFAOYSA-N 320.202 3.151 10 10 DGCE O=C(NCc1c(O)cc(O)cc1O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 2064802887 VDTPQVWEVONFFY-YNEHKIRRSA-N 319.401 3.026 10 10 DGCE COC(=O)c1ccc2ncnc(Sc3nccs3)c2c1 2176054721 GBCFQPHQBQXHBP-UHFFFAOYSA-N 303.368 3.024 10 10 DGCE CC(C)(C)c1nn(-c2ccc(O)c(O)c2)c(N)c1C1CCC1 2079829719 NIPWLCADLMIEJF-UHFFFAOYSA-N 301.390 3.431 10 10 DGCE CNCc1ccc(N2CC[C@@H](CCF)C2)cc1Br 2047231015 RVPAUJVDCCDORR-LLVKDONJSA-N 315.230 3.354 10 10 DGCE CN1CCc2cc(CNCC3(Br)CCC3)ccc21 2049203357 ANDXMLANBWFASN-UHFFFAOYSA-N 309.251 3.086 10 10 DGCE CNCc1ccc(N(C)C[C@@]2(OC)CCSC2)c(Cl)c1 2186291117 GMBAQFHWFGBMAN-HNNXBMFYSA-N 314.882 3.018 10 10 DGCE CCCN[C@@H](c1ccccc1O)c1ncncc1Br 2090039336 GCFCEQDBVJDIMU-ZDUSSCGKSA-N 322.206 3.034 10 10 DGCE COc1ccc(N2CC(C)(C)NC[C@H]2C)c(Br)c1 2221625275 LEBITERGYJIIAD-SNVBAGLBSA-N 313.239 3.034 10 10 DGCE CC(C)(C)[C@H]1C[C@@H](S(=O)(=O)Nc2ccc(O)c(F)c2)C1 2240475211 HUZYJQFZPWYXTA-JGZJWPJOSA-N 301.383 3.098 10 10 DGCE Oc1cccc(Cl)c1CNc1cnncc1Br 2253280732 ZZJHQKCNIABZLY-UHFFFAOYSA-N 314.570 3.210 10 10 DGCE CCCN(C[C@@H](C)O)c1ccc([C@H](C)N)cc1Br 2259723187 WYBDFSFQSFSJHR-MNOVXSKESA-N 315.255 3.066 10 10 DGCE Cc1cncc(/C=C/C(=O)N2C[C@H]3CCCN3c3ccccc32)c1 492204287 YJBIXYMNHBKZBM-KBOKABMXSA-N 319.408 3.419 10 10 DGCE C[C@@H](O)c1ccc(N(CCF)CCF)cc1Br 2301661420 UZKCLGMHVJYQFP-SECBINFHSA-N 308.166 3.248 10 10 DGCE C[C@@H]1CCC(=O)N1C(=O)CCn1c2c(c3ccccc31)CCCC2 1848805252 PDIJSAOJLALKKY-CQSZACIVSA-N 324.424 3.448 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)Nc1ncnc2c(F)cccc12 302768373 AVOOJEHDNNAQAQ-SNVBAGLBSA-N 313.332 3.223 10 10 DGCE CC1(OC(=O)/C=C/c2ccc(N3CCOCC3)cc2)CCC1 126914300 OQIZMFUMPHOGPR-VMPITWQZSA-N 301.386 3.022 10 10 DGCE CCOCCCNC(=O)c1cc(C)n(-c2ccccc2)c1C 68956327 LRROZXOXNAUGGZ-UHFFFAOYSA-N 300.402 3.251 10 10 DGCE CCc1nnc2c(Oc3ccc(N)cc3)nc3ccccc3n12 65000968 GFOAKYWOKURSQR-UHFFFAOYSA-N 305.341 3.214 10 10 DGCE CN[C@@H](C)c1ccc(N2CCN(CC(C)C)CC2)cc1Cl 78927340 XXOSXFYNOCETCZ-AWEZNQCLSA-N 309.885 3.398 10 10 DGCE Cc1ccc2c(ccc(=O)n2CCCOc2ccc(N)cc2)c1 75282537 XMKBADRVWWSKCB-UHFFFAOYSA-N 308.381 3.361 10 10 DGCE COc1ccc(CN2CCc3cccc(OC)c3CC2)c(O)c1 194571168 BXOBVPQFGJUFKO-UHFFFAOYSA-N 313.397 3.010 10 10 DGCE Cc1ccc(CCC(=O)N2CCOc3cc(N(C)C)ccc32)o1 348960051 CLLJDTMWJANMEA-UHFFFAOYSA-N 314.385 3.012 10 10 DGCE CC[C@H](C)CN(C)C(=O)/C=C\c1ccc(N2CCOCC2)cc1 255392465 LVXHVDPTQTUWNY-BJIFSAINSA-N 316.445 3.041 10 10 DGCE CC1CCN(c2ccc(CNC(=O)N(C)CCF)cc2)CC1 297239239 MWZKZMVZBYTKAL-UHFFFAOYSA-N 307.413 3.034 10 10 DGCE Cc1cc(Cl)cc(CN(C)C[C@@H](O)Cc2ccccc2)c1O 816625066 PYJGHCXJBSVNRC-KRWDZBQOSA-N 319.832 3.389 10 10 DGCE Cc1cccc(CN2C[C@H](C)O[C@H](CC(F)(F)F)C2)c1O 827786749 LKMPLEFQFWTQSZ-WCQYABFASA-N 303.324 3.242 10 10 DGCE C[C@H](CNC(=O)N(C)Cc1ccc(N(C)C)cc1)CC(F)F 827155019 MTSHIRUMWHVKEE-LBPRGKRZSA-N 313.392 3.185 10 10 DGCE CC1(C2(NCc3ccc(N4CCOCC4)c(F)c3)CC2)CC1 825124678 VXMSSHLAQNSICG-UHFFFAOYSA-N 304.409 3.085 10 10 DGCE CCN(CC)C(=O)[C@H]1CCCN1Cc1cc(Cl)c(C)cc1O 824627617 QOOCMHHPCJRGEZ-OAHLLOKOSA-N 324.852 3.187 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@H]2CCOC3(CCC3)C2)cc1 835043467 RDTRKMWPNFLIFQ-RCFWFJCLSA-N 300.446 3.457 10 10 DGCE CCOC1(C)CN(Cc2cc(C)cc(Br)c2O)C1 839143171 NHNHEIFYJKGZKH-UHFFFAOYSA-N 314.223 3.074 10 10 DGCE CN(C)c1ccc(/C=C\CNCC[C@H]2C[C@H]3CC[C@H]2O3)cc1 839163705 JVTDDTSXDJSFIZ-FDBUDWNGSA-N 300.446 3.313 10 10 DGCE Nc1ccc(NC(=O)N[C@@H](c2ccccc2)[C@@H]2CCOC2)cc1 841296701 XQFPPRRWBXEOLG-PBHICJAKSA-N 311.385 3.168 10 10 DGCE CCOc1cccc(CNCc2ccc([C@@H](C)N)cc2)c1O 841030541 XXQQGLXEYLVMSO-CYBMUJFWSA-N 300.402 3.100 10 10 DGCE COc1ccc(CN[C@@H](c2ccccc2F)[C@@H](C)O)cc1C 846017016 LDJNKGBKRSUKEJ-FZKQIMNGSA-N 303.377 3.354 10 10 DGCE C[C@H]1CN(C)C[C@H]1NCc1ccc(N(C)C2CCCCC2)cc1 756106332 IHMORIFFYFZLMG-OXJNMPFZSA-N 315.505 3.495 10 10 DGCE CCCOc1ccc(CNCCc2cc(C)n(C)n2)cc1C 922685810 AGOCVEHXSTZKLG-UHFFFAOYSA-N 301.434 3.158 10 10 DGCE CN(Cc1ccccc1O)C(=O)C(C)(C)Cc1ccc(O)cc1 1346906789 AVLKVCAZJMOSCR-UHFFFAOYSA-N 313.397 3.325 10 10 DGCE C[C@@H](NCc1c(C(F)(F)F)cnn1C)c1ccc(F)cc1O 858452606 MTGCRKIGSVPRTH-MRVPVSSYSA-N 317.286 3.134 10 10 DGCE CN(Cc1ccccc1O)Cc1ccnn1CCc1ccccc1 857018744 SZAJMSJUJHNWOR-UHFFFAOYSA-N 321.424 3.463 10 10 DGCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H]2CC23CC3)c1 862036554 ZEGPDHURVVSRMT-QGZVFWFLSA-N 308.381 3.189 10 10 DGCE C[C@@H](NCC[C@@H](O)C(F)F)c1ccc(N2CCCCC2)cc1 866442047 CKJYZHRMMZAETC-CZUORRHYSA-N 312.404 3.344 10 10 DGCE C[C@@H]1CC2(CCC2)CN1C(=O)NCc1ccc(N(C)C)c(F)c1 764333847 AIRCKNCQLZZULK-CYBMUJFWSA-N 319.424 3.366 10 10 DGCE CO[C@@H](C)CN(Cc1cc(Cl)cc([N+](=O)[O-])c1O)C(C)C 769471677 AXMOLLBFONOXHK-JTQLQIEISA-N 316.785 3.199 10 10 DGCE CN(Cc1ccccc1O)C(=O)c1ncc(Cl)cc1Cl 1566304707 ROIUKKDMFXUOBU-UHFFFAOYSA-N 311.168 3.366 10 10 DGCE CSc1ccc(N(C)C(=O)/C=C/c2cncc(O)c2)cc1 779665017 OGRQDIXRHAQUFW-FPYGCLRLSA-N 300.383 3.185 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)NC(C)(C)C(C)(C)O)cc1 771485555 ICYAWGAXVNDLAY-UHFFFAOYSA-N 314.429 3.373 10 10 DGCE C[C@@H]1CC[C@@H](C)N(Cc2ccc(N3CCN(C)CC3)cc2)C1 775702751 WLTHQWKBLWLTPL-IAGOWNOFSA-N 301.478 3.059 10 10 DGCE O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@H]1C1CC1 896148186 AKKWKFMKJJZUFC-NSHDSACASA-N 303.383 3.327 10 10 DGCE CN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2ccc(N)cc2)C1 1959569950 UOEUFBNFINCQOA-HNNXBMFYSA-N 305.422 3.105 10 10 DGCE C[C@@H](NC[C@@H]1CCN1Cc1ccccc1)c1ccc(O)cc1O 716300528 VYTMIOOFUHUCSI-ZBFHGGJFSA-N 312.413 3.023 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc2c([nH]1)CCCC2 1140198778 SAAZZFYMAGPFLV-UHFFFAOYSA-N 319.401 3.015 10 10 DGCE CO[C@H](C)[C@H](C)NCc1ccc(N(C)C)cc1C(F)(F)F 793170204 YWZZYKPWJNGQNO-WDEREUQCSA-N 304.356 3.284 10 10 DGCE Cc1cnc(NCCOc2ccc(N)cc2)c(Br)c1 97845517 YNPSUZQNTZRFPL-UHFFFAOYSA-N 322.206 3.226 10 10 DGCE C[C@H](NC(=O)N[C@H](C)c1ccccc1O)c1nc2ccccc2[nH]1 1230265502 QVLZTFVIAZHHOF-NEPJUHHUSA-N 324.384 3.390 10 10 DGCE CCCc1cc(C(=O)NCc2ccc(N(CC)CC)cc2)no1 1355910057 HVUDGKFMDALNCF-UHFFFAOYSA-N 315.417 3.403 10 10 DGCE Cc1ccncc1/C=C\C(=O)N(C)c1cccnc1N1CCCC1 1355223292 ODCOSVZEPQQXEE-FPLPWBNLSA-N 322.412 3.061 10 10 DGCE C[C@H](O)CN(Cc1ccccc1)c1ccc(CN)cc1Cl 1914664208 QFUOAKOXXLRFQA-ZDUSSCGKSA-N 304.821 3.186 10 10 DGCE COC1CC(N(C)c2ccc([C@@H](C)O)cc2Br)C1 1914790858 PKGFQKPDCZUQPS-OIKLOGQESA-N 314.223 3.116 10 10 DGCE O=C(Nc1cccc(O)c1F)c1cc2cc(O)c(O)cc2s1 1466118009 BQTPMRFAJIPCMV-UHFFFAOYSA-N 319.313 3.410 10 10 DGCE CC[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(C)c(F)c1 1466524991 WXRNHSMWDMIPMD-HNNXBMFYSA-N 317.360 3.355 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)/C=C/C2CCCC2)cc1 1628468524 CFUVPNXOUARJNK-MDWZMJQESA-N 316.445 3.336 10 10 DGCE Cc1ccc(O)c(CNC(=O)NCc2coc3ccccc23)c1 1635531582 LIGNAFGZLGHWFR-UHFFFAOYSA-N 310.353 3.446 10 10 DGCE C/C=C(/C=C/C(=O)N1CCOc2cc(N(C)C)ccc21)CC 1566008619 WWWDFJYTJRTHFB-KQANTMRISA-N 300.402 3.391 10 10 DGCE CCCC(C)(C)C(=O)N(C)CCNCc1ccc(OC)c(C)c1 1567553529 PADQOZNZLGAMJL-UHFFFAOYSA-N 320.477 3.378 10 10 DGCE Cc1cn(-c2ccccc2)nc1C(=O)N[C@H](C)c1ccccc1O 1648889726 JGKRKXBCVYSBSY-CQSZACIVSA-N 321.380 3.377 10 10 DGCE CCN(CC[C@@H](NC)c1ccccc1O)C(=O)OC(C)(C)C 1928471308 JGGLTKBFRNNWJA-CQSZACIVSA-N 308.422 3.300 10 10 DGCE COC(=O)c1ccc(F)c(CN[C@@H](C)c2ccccc2O)c1 1659815666 PZAFOABXKSMLHU-NSHDSACASA-N 303.333 3.169 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1CCCCN1CCCCN=[N+]=[N-] 1962298039 BGUWPYOEZPXXIV-ZDUSSCGKSA-N 311.430 3.456 10 10 DGCE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1CCCCN=[N+]=[N-] 1962298711 HGKZEJRYEWCDAR-OLZOCXBDSA-N 311.430 3.455 10 10 DGCE CCCNCc1cc(F)c(N(C)CCOC(C)C)c(F)c1 157363601 AMNRYJXUUIGHMV-UHFFFAOYSA-N 300.393 3.326 10 10 DGCE Clc1cc(Cl)cc(NN=NCCN2CCOCC2)c1 1860490777 WKMXNMDVXBJQGB-UHFFFAOYSA-N 303.193 3.105 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@](N)(c2ccccc2O)C1 1976462082 KNITYDMILSGGFN-SCLBCKFNSA-N 320.433 3.213 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N(c2ccc(N)cc2)C1 1977954197 YZEQJMKSULTVNV-ZIAGYGMSSA-N 319.449 3.351 10 10 DGCE C[C@H](O)c1ccc(N2CC[C@H]2C(F)F)c(Br)c1 2004490907 OQCITAGADOWTDV-CPCISQLKSA-N 306.150 3.346 10 10 DGCE C[C@@H](N)c1ccc(N2CCC[C@H]2CF)c(Br)c1 2004419145 CWVPWCQRAQHLIL-KOLCDFICSA-N 301.203 3.407 10 10 DGCE C[C@H](O)c1ccc(N2CCOC[C@H]2C(F)(F)F)cc1Cl 2150363473 XKXSDFCZZOCYLA-UFBFGSQYSA-N 309.715 3.161 10 10 DGCE Cc1cccc(CN[C@H]2CN(C(=O)OC(C)(C)C)C2(C)C)c1O 1994450913 CRPJZJJERDMECY-AWEZNQCLSA-N 320.433 3.188 10 10 DGCE CCN1CCc2cc([C@]3(N)CCN(Cc4ccccc4)C3)ccc21 1999510045 SVABADHFURHGBA-NRFANRHFSA-N 321.468 3.129 10 10 DGCE C[C@H](N)c1ccc(N(C)C[C@H]2C[C@@H]2F)c(Br)c1 2014705022 NVDUINPETOCLTI-XRNSZHNASA-N 301.203 3.263 10 10 DGCE CNCc1ccc(N(C)C2CC(F)(F)C2)cc1Br 2029176086 JVJBZLOKCAMOGC-UHFFFAOYSA-N 319.193 3.402 10 10 DGCE Cc1ccc(Br)cc1[C@@H](NN)c1ccccc1O 2029543099 GUBMXEGNLJUQEF-AWEZNQCLSA-N 307.191 3.016 10 10 DGCE OCc1ccc(N2C[C@H]3C[C@H]2C(F)(F)C3)c(Br)c1 2038338675 AKFIWQGBNPAFSI-CABZTGNLSA-N 318.161 3.175 10 10 DGCE CCCN[C@](C)(C[C@H](C)Sc1nccs1)C(=O)OCC 68639661 GKINSSPCGCXSMA-SMDDNHRTSA-N 316.492 3.335 10 10 DGCE CCNCc1ccc(N2CCC[C@H]2CF)c(Br)c1 2051768150 YDIYYVQOAIYYEZ-LBPRGKRZSA-N 315.230 3.497 10 10 DGCE COc1ccc(N(C)[C@@H]2CS[C@@H](C(F)(F)F)C2)c(N)c1 2189465337 CVUNKNPAYBEORE-QPUJVOFHSA-N 306.353 3.150 10 10 DGCE CC(C)[C@@](CO)(CCCSc1nccs1)NC1CC1 2087802229 BJRYBSKBOXBLSJ-AWEZNQCLSA-N 300.493 3.155 10 10 DGCE C[C@@H](N)c1ccc(N2CC[C@@H]3C[C@]3(F)C2)c(Br)c1 2222694687 SGQKYWZAJFQRAX-UDZFHETQSA-N 313.214 3.407 10 10 DGCE CC(=O)c1ccc(O)c(CN2CC(SC(F)(F)F)C2)c1 2237484296 JCEWROKSVUYIHE-UHFFFAOYSA-N 305.321 3.032 10 10 DGCE Oc1c(Br)cccc1CN=c1[nH][nH]c2ccccc12 2278855295 NNIGNESMPLUSMX-UHFFFAOYSA-N 318.174 3.065 10 10 DGCE CC(C)[C@@H]1COCCN1Cc1cc(Br)ccc1O 1203645723 NJKBZJSQBPZBEC-ZDUSSCGKSA-N 314.223 3.012 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)N1CCC[C@@H]2CCCC[C@H]21 2307987519 NRCLHUWCRNHVPV-LSDHHAIUSA-N 301.386 3.292 10 10 DGCE Oc1ccc(Br)cc1CN1C[C@@H]2C[C@H]1C(F)(F)C2 2308474807 IPVYSNWHQJUKTQ-PELKAZGASA-N 318.161 3.384 10 10 DGCE COc1ccc(N2CC[C@H](CCNC(=O)OC(C)(C)C)C2)cc1 107937966 NDSOFQXOBHRRHH-AWEZNQCLSA-N 320.433 3.436 10 10 DGCE COc1ccc(CN2CCO[C@H](c3ccc(F)cc3)C2)c(O)c1 179430268 OUCPROJUVCRJIB-SFHVURJKSA-N 317.360 3.113 10 10 DGCE COC[C@@H](CCCc1ccc(N)cc1)NC(=O)OC(C)(C)C 1952518309 QYEYRGNDZMKQDI-OAHLLOKOSA-N 308.422 3.131 10 10 DGCE C[C@@]1(C(=O)O)CCCN1Cc1cc(Cl)cc(Cl)c1O 86816783 OVRYGCXFJZXQIC-ZDUSSCGKSA-N 304.173 3.138 10 10 DGCE CCOc1ccc(O)c(CN2CCO[C@@H](c3ccsc3)C2)c1 93768585 HBYNRJUVRIAOOK-QGZVFWFLSA-N 319.426 3.426 10 10 DGCE CN[C@@H]1C(=O)Nc2cc(N3C[C@H](C)C[C@@H](C)C3)c(Cl)cc21 92749963 NNIGANHETFAOOG-FCHSOHFDSA-N 307.825 3.035 10 10 DGCE CCOc1ccc(O)c(CNC[C@@H](O)c2ccc(Cl)cc2)c1 237045852 SQYNXTXRLXNDGJ-QGZVFWFLSA-N 321.804 3.268 10 10 DGCE CCN[C@H]1C(=O)Nc2cc(N3CC[C@H](CC)C3)c(Cl)cc21 252877044 WNGZKENLXFSVNR-ZUZCIYMTSA-N 307.825 3.179 10 10 DGCE Cc1cc(/C=C\C(=O)N2CCC[C@@H]2CO)c(C)n1-c1ccccc1 255215223 GKECRJALWJDJJH-OEIFXAAASA-N 324.424 3.091 10 10 DGCE CN(CCOCc1ccccc1)c1ccc(/C=C/C(=O)O)cc1 383790234 VMUGXYQIPMFZKX-FMIVXFBMSA-N 311.381 3.437 10 10 DGCE Cc1cc(O)c(CN[C@H]2COc3ccc(F)cc3C2)cc1C 808453026 VOIRLMOQCQDMNZ-MRXNPFEDSA-N 301.361 3.241 10 10 DGCE CC(=O)c1ccc(O)c(CN(C)Cc2cc(Cl)ns2)c1 2167213719 PCJAFTWUKJGJKG-UHFFFAOYSA-N 310.806 3.337 10 10 DGCE CCN(Cc1cn(-c2ccccc2)nn1)c1ccc(OC)cc1 726789843 ZTSIUOHMJYERLU-UHFFFAOYSA-N 308.385 3.302 10 10 DGCE C[C@H](N[C@@H]1CCc2cccc(O)c21)c1cn(-c2ccccc2)nn1 834680733 HMVGJVAPWBYSMZ-XJKSGUPXSA-N 320.396 3.311 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1(C2CCC2)CCC1 836781648 OAXVKJWDZUDSFZ-GFCCVEGCSA-N 303.402 3.115 10 10 DGCE CC[C@H](N[C@@H]1C[C@@H](C)c2c(F)ccc(O)c21)[C@@H](O)C(F)F 834875502 QBVGVDJPIPGKHC-IEQSHNCZSA-N 303.324 3.074 10 10 DGCE COc1cccc([C@@H](C)Nc2ccc3c(c2)N(C)CCO3)c1O 846161894 HALIAQGODIRCOB-GFCCVEGCSA-N 314.385 3.403 10 10 DGCE C[C@H](CNC(=O)NCc1cc(Cl)ccc1O)CC(F)F 845274249 GZHKYDOLTMYJOU-QMMMGPOBSA-N 306.740 3.136 10 10 DGCE Cc1ccsc1[C@H](CO)N[C@H](C)c1cc([N+](=O)[O-])ccc1O 756736929 PXUVVWWBMSKBTA-MFKMUULPSA-N 322.386 3.055 10 10 DGCE COCC1(C(=O)NCc2cc(Cl)ccc2O)CCCCC1 857297778 OGOSCOLVXBKPDE-UHFFFAOYSA-N 311.809 3.259 10 10 DGCE CCCOc1ccc(CNC[C@@H]2C=C[C@H]3C[C@@H]2CO3)cc1C 922716623 CYVQBTKCLYUDHW-KSZLIROESA-N 301.430 3.465 10 10 DGCE CN1CCCc2cc(CNCc3c(C4CCC4)cnn3C)ccc21 850099695 UINCBQVJBBBMPD-UHFFFAOYSA-N 324.472 3.360 10 10 DGCE COC[C@@H]1CCCN1c1ccc([C@H](C)N)cc1Br 696544524 GXEHLEIFOJLWEE-JQWIXIFHSA-N 313.239 3.084 10 10 DGCE Cc1cc(Br)c(O)c(CN[C@@H](C)c2nccn2C)c1 850409580 BVEKNMQRYVDHMJ-JTQLQIEISA-N 324.222 3.047 10 10 DGCE CC[C@H](NCCOCCCN)c1cc(Cl)cc(Cl)c1O 863547989 SWUSQPLGPIZQJJ-ZDUSSCGKSA-N 321.248 3.105 10 10 DGCE COc1ccc(CNCc2cccc(CCC(=O)O)c2)cc1C 864518388 ILWXJJAUEVGQOF-UHFFFAOYSA-N 313.397 3.311 10 10 DGCE Oc1c(F)cc(Cl)cc1CN1CCC[C@H](OC(F)F)C1 781531390 AMRLATAGVOJMRG-JTQLQIEISA-N 309.715 3.388 10 10 DGCE Cc1nocc1C(=O)NCc1cc(C)n(-c2ccccc2)c1C 1132267802 NWGZMDYLGUJZJI-UHFFFAOYSA-N 309.369 3.321 10 10 DGCE CCOc1nccnc1N1CC=C(c2ccc(Cl)nc2)CC1 781390610 WBRJUAWMPQEBNM-UHFFFAOYSA-N 316.792 3.217 10 10 DGCE Oc1c(F)cc(F)cc1CN1CC[C@@H](Cc2ccncc2)C1 894438721 TWMLBDXVCKYSOZ-ZDUSSCGKSA-N 304.340 3.130 10 10 DGCE C[C@H](CNCc1cccc(Br)c1O)c1ccccn1 709612196 WDDSHABDNALCGG-LLVKDONJSA-N 321.218 3.443 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)NOC/C=C/Cl 1251657556 LJXHFNZSIROYNP-RUDMXATFSA-N 323.824 3.112 10 10 DGCE [N-]=[N+]=NC1CCN(C(=O)c2ccc(Br)cc2)CC1 1912143226 CAQZENLSTZQMHF-UHFFFAOYSA-N 309.167 3.364 10 10 DGCE [N-]=[N+]=NC1CN(C(=O)c2ccc(Cl)c(Br)c2)C1 1912172758 WROZEFFLDGIRRP-UHFFFAOYSA-N 315.558 3.237 10 10 DGCE Nc1ccc(CCCN(Cc2ccccc2)[C@H]2CCOC2)cc1 1915457745 OLVKPAOXOPFCJW-FQEVSTJZSA-N 310.441 3.493 10 10 DGCE COc1cc(OC)cc(N(C)C(=O)/C=C/c2cccnc2C)c1 1538633408 SCXVTJMNRQKVIZ-BQYQJAHWSA-N 312.369 3.083 10 10 DGCE CCCNCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(OCC)c1 212714994 GLLJSRKMLYVQPD-GJZGRUSLSA-N 306.450 3.199 10 10 DGCE CC(=O)c1cc(F)cc(CN[C@@H](C)c2ccccc2O)c1O 1620504787 AVFRKBBNZBAETQ-JTQLQIEISA-N 303.333 3.290 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)Nc1c2c(cc3c1CCC3)CCC2 1625596972 OOOYAUIUFSQYKE-UHFFFAOYSA-N 323.392 3.256 10 10 DGCE Cc1cc(F)cc(C(=O)NCc2ccc3cccnc3c2O)c1 1643283308 PHURDHZQQOAQMR-UHFFFAOYSA-N 310.328 3.318 10 10 DGCE CCOC(=O)c1sc(Cc2ccc(N)cc2)nc1C1CC1 157762873 KHMWUKSKEFIOTK-UHFFFAOYSA-N 302.399 3.370 10 10 DGCE O=C(NCc1ccc(O)c(O)c1)[C@H]1C[C@@H]1c1cccc(Cl)c1 159107048 CRDXUNVPFQECFE-KGLIPLIRSA-N 317.772 3.171 10 10 DGCE CN[C@@H](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1O 1936974763 LSIDWEUURCRXPA-HIFRSBDPSA-N 320.433 3.300 10 10 DGCE CC1=NN(Cc2ccc(F)cc2)C(=O)/C1=C/c1ccccc1O 1865677631 UUQNNLPLFIYSEP-MHWRWJLKSA-N 310.328 3.333 10 10 DGCE C[C@H]1CCN(Cc2ccc(N)cc2)C[C@H]1NC(=O)OC(C)(C)C 1977920306 HXIVBSRYQDRVEO-XJKSGUPXSA-N 319.449 3.004 10 10 DGCE CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H](N)c1ccc(N(C)C)cc1 1977946106 SRFZHPGJSCBZKY-CZUORRHYSA-N 321.465 3.398 10 10 DGCE C[C@H](O)CN(Cc1ccccc1)c1ccc2c(c1)CCC[C@H]2N 1986601813 YKGQVCWBJHLFBK-MGPUTAFESA-N 310.441 3.410 10 10 DGCE N[C@H]1CCc2cc(N(Cc3ccccc3)[C@@H]3CCOC3)ccc21 1986603315 UQZRXHWFQWJSBF-QUCCMNQESA-N 308.425 3.428 10 10 DGCE NCc1cc(F)c(N2C[C@H]3CC[C@@]2(F)C3)cc1Br 2030245568 AEUXZNYCNXKWOK-SDBXPKJASA-N 317.177 3.333 10 10 DGCE C[C@@H](c1cc(Br)ccc1O)N(C)[C@H]1CCCOC1 401554543 CAOJSGFOZCGNGC-JQWIXIFHSA-N 314.223 3.327 10 10 DGCE CCc1cccc(CNCc2cncc(Br)c2)c1O 702968108 YTTPJHDPJCQFHW-UHFFFAOYSA-N 321.218 3.402 10 10 DGCE CCNCc1ccc(N(C)Cc2nnc(C)s2)cc1Cl 697832051 ZPXUTZCZGALEKJ-UHFFFAOYSA-N 310.854 3.246 10 10 DGCE Cn1cc(NCc2cccc(Cl)c2O)c(C(F)(F)F)n1 2178710669 AJLUTHXVBSRXOV-UHFFFAOYSA-N 305.687 3.410 10 10 DGCE CCNCc1ccc(N2C[C@@H](OC)C[C@H]2CF)cc1Cl 2190232535 MYDABHUNLBAJSY-KBPBESRZSA-N 300.805 3.013 10 10 DGCE CN(Cc1cc(Cl)cc(Cl)c1O)[C@@H]1CCC[C@H](N)C1 2099836311 PGZRZNPTDKAGOO-NWDGAFQWSA-N 303.233 3.401 10 10 DGCE Oc1cc(Cl)ccc1CNC[C@@H]1OCC[C@H]1C(F)(F)F 2240544189 QCKDGPZKWYIGRI-PWSUYJOCSA-N 309.715 3.103 10 10 DGCE CC1=NN(Cc2ccccc2)C(=O)C1=Cc1ccc(C(=O)O)cc1 2293001781 KOYPGKUVGDXBNW-UHFFFAOYSA-N 320.348 3.187 10 10 DGCE COc1c(C(=O)N(C)Cc2ccccc2O)csc1Cl 2284282526 WBIVKEAJYMVQGZ-UHFFFAOYSA-N 311.790 3.388 10 10 DGCE CC(F)(F)c1ncc(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])s1 2289275305 VPEFGJPDHFXCFS-SSDOTTSWSA-N 301.322 3.170 10 10 DGCE CC1=NN(Cc2cccc(F)c2)C(=O)C1=Cc1cccc(O)c1 2332094786 HHBJPMZHVMVNEF-UHFFFAOYSA-N 310.328 3.333 10 10 DGCE CCC[C@@H]1CCOCC[C@@]1(Sc1nccs1)C(=O)O 2351878339 OUWDXUKVFNRBOC-MFKMUULPSA-N 301.433 3.285 10 10 DGCE Cc1ccc(OCc2cc(Br)ccc2F)c(N)n1 50440909 AIHMTDMWIKAVEQ-UHFFFAOYSA-N 311.154 3.453 10 10 DGCE C[C@@H](NC[C@@H](CO)c1ccccc1)c1cc(Cl)ccc1O 185652057 PDDITKPBNFWYSS-OCCSQVGLSA-N 305.805 3.472 10 10 DGCE C[C@@H]1CCN(C(=O)/C=C/c2cncc(O)c2)c2c(O)cccc21 186322217 XFACJFDZJRHANN-BTDICHCPSA-N 310.353 3.046 10 10 DGCE Cc1ccc([C@](C)(O)CN[C@@H](C)c2ccc(F)c(F)c2O)o1 187734857 YYGJBERWAXMLFD-MGPLVRAMSA-N 311.328 3.130 10 10 DGCE COc1ccc(O)c([C@@H](C)NC[C@@](C)(O)C2CCCCC2)c1 188680960 WZXCZZLFQOGMTB-FZKQIMNGSA-N 307.434 3.383 10 10 DGCE Nc1ccc(NC(=O)CCCOCCCC(F)(F)F)cc1 211759836 QFCSXFQIVLUVJX-UHFFFAOYSA-N 304.312 3.347 10 10 DGCE Cc1cc(F)ccc1C(=O)Nc1cccc(N2CCOCC2)c1 137352286 WEAUKSYWPOKIOU-UHFFFAOYSA-N 314.360 3.223 10 10 DGCE O=C1N=C(Nc2ccc(C(=O)O)cc2)S/C1=C/c1ccco1 225700190 RXCMVXASSFMAIE-XYOKQWHBSA-N 314.322 3.060 10 10 DGCE C[C@H](NCCc1ccc2c(c1)OCO2)c1ccc(F)c(F)c1O 191187898 FBSPMXAFESMPOG-JTQLQIEISA-N 321.323 3.292 10 10 DGCE Oc1ccc(Cl)cc1CNCC(F)(F)Br 380010118 RGYWBOOLZMVGKX-UHFFFAOYSA-N 300.530 3.123 10 10 DGCE COc1ccc(N(C)CC(=O)Nc2cccc(C)c2)c(OC)c1 131847692 YKAGRTNFNDYGGZ-UHFFFAOYSA-N 314.385 3.087 10 10 DGCE CC[C@H](c1cc(Br)ccc1O)N(CC)CC(=O)O 86774969 YAWAIYNUWNMPMZ-LLVKDONJSA-N 316.195 3.012 10 10 DGCE O=C1N=C(NC2CCCC2)S/C1=C/c1ccc(F)cc1F 96288897 NECNMWKFGNKRQX-NTUHNPAUSA-N 308.353 3.467 10 10 DGCE COc1cccc(CN[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@H]32)c1O 527749606 NQVRZDBCXLJLNX-USXIJHARSA-N 315.800 3.482 10 10 DGCE CC(C)[C@H](C)OC(=O)/C=C\c1ccc(N2CCOCC2)cc1 255524013 UWUIWKKWSCTSQX-AJHXJQRKSA-N 303.402 3.124 10 10 DGCE CCCN(CCC)c1ccc(CNCC2([S@](C)=O)CC2)cc1 282511401 XLNOQKNGBCWVIO-QFIPXVFZSA-N 322.518 3.314 10 10 DGCE O=C(O)/C=C/c1ccc(N2C[C@@H]3C[C@H]3C2)cc1Br 380375953 ICUQBVRPJOVAEJ-LOMYTOQZSA-N 308.175 3.003 10 10 DGCE COC(=O)Cc1c(Br)ccc2c(O)csc12 396268776 FKICGVYXRONJEL-UHFFFAOYSA-N 301.161 3.085 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)/C=C\COc1ccccc1 816822261 FPKSOLYPYOKZSK-YFHOEESVSA-N 324.424 3.346 10 10 DGCE Cc1cc(N(C)C)ccc1CN[C@@H]1CCC[C@@H]1[C@H]1CCCCN1 817893620 GHQGAXHROMKICN-VAMGGRTRSA-N 315.505 3.461 10 10 DGCE CC[C@H]1[C@@H](CO)CCN1Cc1ccc(N2CCCCC2)cc1 824636293 OODMAUSOOCOSBT-MJGOQNOKSA-N 302.462 3.270 10 10 DGCE Oc1cc(F)c(Cl)cc1CNCC1(O)CCC(F)(F)CC1 827648604 BZADPEVWSLUVME-UHFFFAOYSA-N 323.742 3.215 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCOC[C@@H]2CC(F)F)cc1 835053542 NWKVJINSAHYGNP-CWDCEQMOSA-N 310.388 3.122 10 10 DGCE CN(C)c1ccc(CNC(=O)NC(C)(C)C2CCC2)cc1F 838029456 NQNHUHDJKWSPSC-UHFFFAOYSA-N 307.413 3.270 10 10 DGCE COc1cc(Cl)cc(CN2C[C@@H](C)OCC23CCC3)c1O 846067662 VWYFLEMEYYINRT-LLVKDONJSA-N 311.809 3.198 10 10 DGCE Cc1cc(O)c(CN2CCC([C@H]3CCCN3)CC2)c(Cl)c1 843043846 LAFKMTHOKYBONV-MRXNPFEDSA-N 308.853 3.318 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)NCC[C@@H]2CC[C@@H]3C[C@H]23)cc1 927475569 BZHJSQPBEMVNEA-ZKYQVNSYSA-N 300.362 3.015 10 10 DGCE C[C@H](O)[C@H](NC/C=C/c1ccc(N(C)C)cc1)c1ccccc1 850419851 HZKXGZLGJDRDLA-IFABGAQTSA-N 310.441 3.478 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)CC3(C)CCCC3)C2)cc1 855226989 SDBCHHALIPNXSC-OAHLLOKOSA-N 316.445 3.361 10 10 DGCE COc1ccc(N2CC[C@H](NCc3ccsc3C)C2)cc1 850347179 PGNLOUVTUSPZOO-HNNXBMFYSA-N 302.443 3.434 10 10 DGCE Cc1ccc([C@H](C)N[C@@H]2CCN(c3ccccc3)C2=O)c(O)c1C 756662221 YVWDJCGUIXDKAO-MAUKXSAKSA-N 324.424 3.465 10 10 DGCE C[C@H](NC(=O)NCC(F)(F)C(C)(C)C)c1ccccc1O 868790094 ZBAUJOQDFWXPGP-JTQLQIEISA-N 300.349 3.434 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2C[C@H](C)[C@@H]2C)cc1 861836293 FKUUGJKUECSECB-ZFWWWQNUSA-N 324.424 3.316 10 10 DGCE CC(=O)c1cc(F)cc(CN2CC[C@H](c3nccs3)C2)c1O 880316820 HTDDWQIXSQQIIT-NSHDSACASA-N 320.389 3.180 10 10 DGCE CC[C@H]1CN(Cc2ccc(F)cc2)c2ccc(CN)cc2O1 74337794 UVTYGNOBBLZWGK-INIZCTEOSA-N 300.377 3.462 10 10 DGCE Nc1ccc(Cc2nccn2Cc2cccc([N+](=O)[O-])c2)cc1 82734801 QBAJOTJRQAATNE-UHFFFAOYSA-N 308.341 3.013 10 10 DGCE CCN(Cc1cc(Cl)cc(Cl)c1O)[C@@H](C)CC(=O)O 86763587 BTHXHUXCPAGUGK-QMMMGPOBSA-N 306.189 3.384 10 10 DGCE Cc1cc(CN)ccc1N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 687237751 DKXDNTHGLPMFMJ-BGYRXZFFSA-N 321.468 3.307 10 10 DGCE CN(C)c1ccc([C@@]2(C)[C@H](N)CCN2Cc2ccccc2)cc1 712040314 LXXIFXQLACTXDM-UXHICEINSA-N 309.457 3.201 10 10 DGCE CC1(C)CO[C@H](CNCc2cc(Br)ccc2O)C1 717398960 VVRFUZPWRYJAJT-LBPRGKRZSA-N 314.223 3.059 10 10 DGCE C=COc1ccc(NC(=O)NCc2ccc(OC)cc2O)cc1 1219080074 UTNXQSULGQIBEG-UHFFFAOYSA-N 314.341 3.245 10 10 DGCE Cc1c(C(=O)NCc2c(O)cccc2O)oc2c(C)cccc12 1304051561 WWJRDIWHBKEYDS-UHFFFAOYSA-N 311.337 3.391 10 10 DGCE CN[C@H](C)c1ccc(N2CCP(C)(=O)CC2)cc1Cl 2115349392 JWRPIYQGPHFZQG-LLVKDONJSA-N 300.770 3.433 10 10 DGCE COC(=O)c1cc(OCC2CC3(CCC3)C2)ccc1N(C)C 1189977586 SWOZSJTWBHCTTF-UHFFFAOYSA-N 303.402 3.498 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CCC=CCCC1 1180307467 OQJRLJYGRRYUQK-XUJKRUJWSA-N 301.386 3.364 10 10 DGCE O=C(Cc1ccc(C2CCC2)cc1)NCc1ccc(O)c(O)c1 1349331634 TYQLPUQNCXONTC-UHFFFAOYSA-N 311.381 3.224 10 10 DGCE CC[C@@H](O)CN(Cc1ccccc1)c1ccc([C@H](C)O)c(O)c1 1915097695 YFDROWRKQZJSEB-WMLDXEAASA-N 315.413 3.223 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](CO)C1CCC1 1453313708 QVTHFKHDNDQPPF-CQSZACIVSA-N 318.442 3.046 10 10 DGCE COc1ccc(C(=O)NCc2cccc(Cl)c2O)cc1C 1558757510 HNLOJCVQRQMOER-UHFFFAOYSA-N 305.761 3.293 10 10 DGCE CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H](NC)c1ccccc1O 1928480285 GSANMMLPHYGREJ-SWLSCSKDSA-N 308.422 3.298 10 10 DGCE CC[C@@H]1C[C@H]1C(=O)N[C@H](C)CCNCc1ccc(OC)c(C)c1 1568679226 IUBWVUFBIXKUMG-DJIMGWMZSA-N 318.461 3.034 10 10 DGCE CC/C(C)=C\C(=O)NCC1(NCc2ccc(OC)c(C)c2)CC1 1699651343 BEIIXXLILSVXTC-UVTDQMKNSA-N 316.445 3.098 10 10 DGCE CCC1=NN(Cc2cccc(F)c2)C(=O)/C1=C/c1ccccn1 1865672760 KKQCTEFINYDUFS-LFIBNONCSA-N 309.344 3.413 10 10 DGCE C[C@@H](O)c1ccc(N2CC3(CSC3)C2)cc1Br 1942546839 QBDIOBVFRJIAHU-SECBINFHSA-N 314.248 3.056 10 10 DGCE COc1ccc(N2CC[C@H](CN[C@H]3CCc4cccnc43)C2)cc1 886628080 FIBNZTCHZULXNW-BEFAXECRSA-N 323.440 3.194 10 10 DGCE C[C@@H]1OCC[C@@H]1CCNCc1ccc(Br)cc1O 1972143522 BQXYHVLNUIFZCB-QWRGUYRKSA-N 314.223 3.059 10 10 DGCE C[C@H](NC(=O)OC(C)(C)C)[C@H](N)c1ccc(N2CCCC2)cc1 1977946827 YBOBEFFAJVHRFB-BBRMVZONSA-N 319.449 3.200 10 10 DGCE C[C@@H]1CN(c2ccc(N)cc2)C[C@]1(C)CNC(=O)OC(C)(C)C 1977966931 AFNKNMKTJOYNDU-ACJLOTCBSA-N 319.449 3.256 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@]12C[C@H]2[C@H](N)c1ccccc1O 1981391785 IHEREAOYHJMENM-KDQZPGIASA-N 318.417 3.085 10 10 DGCE C[C@H]1C[C@]1(F)CN(C)c1ccc(CN)c(Br)c1 2025731754 RPDKSJWUIXWWSU-ZANVPECISA-N 301.203 3.092 10 10 DGCE CCN1C(=O)C(=Cc2ccc(-n3ccnc3)cc2)SC1=S 2040473960 GMUYUTCZGYHVIO-UHFFFAOYSA-N 315.423 3.093 10 10 DGCE CC1(F)CN(c2ccc(CNC3CC3)c(Br)c2)C1 2032485407 ZLNLKFBYCHJRLL-UHFFFAOYSA-N 313.214 3.249 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1CC[C@H]2CC[C@H]1O2 401619009 UBYCGBYJXOBSAV-CYZMBNFOSA-N 302.201 3.499 10 10 DGCE C[C@@H](N)c1ccc(N(C)Cc2ncc(Cl)n2C)c(Cl)c1 2166108568 KAUAJSUERMHQLK-SECBINFHSA-N 313.232 3.383 10 10 DGCE Cc1c(C(C)C)nn(-c2ccc(O)c(O)c2)c1Br 2079747134 OBFJHFCOIPPEML-UHFFFAOYSA-N 311.179 3.478 10 10 DGCE COc1cc(Cl)cc(CN[C@H]2[C@@H]3[C@H]2CCC3(F)F)c1O 2170820608 MCCIEBGUSBLPRO-ADEWGFFLSA-N 303.736 3.188 10 10 DGCE NCc1cc(F)c(N2CC[C@@H](CCF)C2)cc1Br 2047230100 CWLLWXZQUWGUTL-SECBINFHSA-N 319.193 3.233 10 10 DGCE CN[C@H](C)c1cc(F)c(N(C)C[C@H]2CCSC2)c(F)c1 2194695830 YAYRPTMWVLUPKR-GHMZBOCLSA-N 300.418 3.435 10 10 DGCE Cc1cc(Br)ncc1CN1CCC(N=[N+]=[N-])CC1 2057192258 FKDVELRDGKAGDG-UHFFFAOYSA-N 310.199 3.427 10 10 DGCE C[C@H](O)c1ccc(N2C[C@@H](F)C[C@@H](F)C2)cc1Br 2062395799 CYFZIGGNVLXEJJ-LPEHRKFASA-N 320.177 3.389 10 10 DGCE CCNCc1cnc(Sc2nc3cnccc3s2)s1 2099105448 KFXVRZGTNZVYKP-UHFFFAOYSA-N 308.457 3.409 10 10 DGCE C[C@H](N)c1ccc(N(C)C[C@]2(C)CSCCO2)c(Cl)c1 2201254177 KUKSYNVQRFAECM-XHDPSFHLSA-N 314.882 3.318 10 10 DGCE CCC1([C@H](N)c2ccccc2O)CC(NC(=O)OC(C)(C)C)C1 2210317986 CTFAWYIOCRHNAL-HBSPSFQMSA-N 320.433 3.476 10 10 DGCE COc1ccc(N(C)CCCOCc2ccccc2)c(CO)c1 2211291221 BLUGUFOWWMSTMO-UHFFFAOYSA-N 315.413 3.231 10 10 DGCE CCC[C@@H](CNCc1c(C)cccc1O)NC(=O)OC(C)(C)C 2210467391 PVFHJNGOAWKALW-AWEZNQCLSA-N 322.449 3.484 10 10 DGCE COc1ccnc(Br)c1NCc1ccccc1O 2219982869 RNYXQSUIIHZKJT-UHFFFAOYSA-N 309.163 3.170 10 10 DGCE CSc1ncc(CNC(=O)c2ccc(Cl)c(N)c2)s1 2269092553 IQQNTMHUJOTALF-UHFFFAOYSA-N 313.835 3.031 10 10 DGCE CSc1ncc(CN=c2cc(Cl)nc(C3CC3)[nH]2)s1 2269279435 QTABRFAPAXAHDU-UHFFFAOYSA-N 312.851 3.220 10 10 DGCE CCN(C=C1SC(=S)N(c2ccc(F)cc2)C1=O)CC 2297504823 HYIGHKTYKUPVKX-UHFFFAOYSA-N 310.419 3.374 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)C=Cc2cccs2)c1 2304863201 NDLFVEXVCGNJMH-NSHDSACASA-N 303.383 3.353 10 10 DGCE Cc1cccc([C@@H]2NC(=O)c3c(sc4c3CCCC4)N2)c1O 565712 NDBBSBQHXHPYOK-OAHLLOKOSA-N 314.410 3.495 10 10 DGCE CON(Cc1ccc(C)c(Br)c1O)CC(C)C 2307473466 YOUADXLUHLLGAA-UHFFFAOYSA-N 302.212 3.483 10 10 DGCE COCCCCCN(C)Cc1cccc(Br)c1O 2319914014 RMPIIBWTLWPDEB-UHFFFAOYSA-N 316.239 3.403 10 10 DGCE CC(C)(C)C[C@H]1C[C@@H](N)CN(c2ccc3c(c2)OCCO3)C1 108217000 PUIMIKHLGIJTQL-ZIAGYGMSSA-N 304.434 3.048 10 10 DGCE Cc1nc([C@@H](NCc2ccccc2O)c2ccccc2F)no1 114773731 HCTIUXSRACTANL-INIZCTEOSA-N 313.332 3.102 10 10 DGCE Cc1cc(O)ccc1C(=O)NCc1ccc(N2CCCC2)cc1 179465850 YCPZPXNCQMLSSU-UHFFFAOYSA-N 310.397 3.231 10 10 DGCE Nc1ccc(CCN=c2[nH]c(Cl)nc3cscc23)cc1 2361050829 KJCBUGGKQONXAM-UHFFFAOYSA-N 304.806 3.003 10 10 DGCE Nc1ccc(CNS(=O)(=O)/C=C/c2ccc(Cl)cc2)cc1 36288681 WWDBFKIXAMULSG-MDZDMXLPSA-N 322.817 3.013 10 10 DGCE CCOC[C@@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)C(C)C 189363591 RSQAADLILMTNMJ-VQIMIIECSA-N 320.477 3.235 10 10 DGCE Cc1ccn2c(/N=N\c3ccc4c(c3)OCO4)c(C(=O)O)nc2c1 71583455 WBNADGIFZHHCSX-HNENSFHCSA-N 324.296 3.485 10 10 DGCE COC(=O)Cc1nc2c(O)cccn2c1/N=N\c1cccc(C)c1 71601929 ADLBFNLWIRXZSJ-VXPUYCOJSA-N 324.340 3.479 10 10 DGCE CC[C@H](CSC)N(C)c1ccc(CN)c(Br)c1 228155288 JJDARNDOSVKJFW-LLVKDONJSA-N 317.296 3.486 10 10 DGCE CC(C)(C)c1ccc(O)c([C@@H]2N[C@H](C(=O)O)C(C)(C)S2)c1 83236914 DFICLIBGURZCGJ-CHWSQXEVSA-N 309.431 3.257 10 10 DGCE Cc1cc(Cl)cc(C(=O)Nc2ccc(O)cc2C(=O)O)c1 133818113 ZBZNLWIENZIWNE-UHFFFAOYSA-N 305.717 3.305 10 10 DGCE Cc1nc(Br)ccc1NCc1ccc(O)c(O)c1 235808786 RFMCCEIHHUVSFL-UHFFFAOYSA-N 309.163 3.176 10 10 DGCE CCOc1cccc(CNCc2ccccc2-n2cccn2)c1O 236909923 AXBHLQYXTCIBMM-UHFFFAOYSA-N 323.396 3.266 10 10 DGCE CC(C)(C)OC(=O)NC1(CNCc2cc(F)ccc2O)CCC1 230392455 KHYHCIIXTFGXQX-UHFFFAOYSA-N 324.396 3.068 10 10 DGCE CCOc1ccc(N2CC[C@@H]([C@@](C)(O)C(F)(F)F)C2)cc1 250636578 RWQHDVAKLAPLKN-BXUZGUMPSA-N 303.324 3.225 10 10 DGCE O=C(O)[C@]1(Sc2nccs2)CC[C@H]1OCc1ccccc1 1893523594 UNKGHSQIDIGITA-DOMZBBRYSA-N 321.423 3.438 10 10 DGCE Cc1cccc(CN[C@H]2CCOC3(CCSCC3)C2)c1O 271765093 AEXYLWNBUZCPHD-HNNXBMFYSA-N 307.459 3.235 10 10 DGCE CCOCc1nc([C@H](C)N[C@H](CC)c2ccc(F)cc2O)no1 290034567 DCQVDKYKMDZPJG-GXFFZTMASA-N 323.368 3.253 10 10 DGCE CO[C@@H]1CCCC[C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2 815835831 HAXWFLKPJTVQND-MAUKXSAKSA-N 317.429 3.092 10 10 DGCE CCOc1ccc(O)c(CNC[C@@H](CO)C2CCCCC2)c1 815150468 FIXJMLRMSKHMPI-INIZCTEOSA-N 307.434 3.069 10 10 DGCE CN(C)c1ccc(/C=C/CNCCc2cnc(C3CC3)nc2)cc1 835041955 PNSTXCUCKVVKNB-ONEGZZNKSA-N 322.456 3.266 10 10 DGCE CN(C)c1ccc(/C=C\CNC2CCN(C3CCC3)CC2)cc1 835034415 ANIGYISQPYKZOW-PLNGDYQASA-N 313.489 3.372 10 10 DGCE COc1ccc(O)c(CN2[C@@H](C)CC[C@H]2C(=O)OC(C)(C)C)c1 846008099 UEASVGXDRBCXBO-WFASDCNBSA-N 321.417 3.095 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@@H](C)[C@@](C)(O)c2ccccc2)c1 846044792 QFGIZXUMQNAWEZ-CKFHNAJUSA-N 315.413 3.348 10 10 DGCE COc1ccnc(CN[C@@H](C)c2cc(Cl)ccc2O)c1F 850536977 LLHPGUNGOKSANB-VIFPVBQESA-N 310.756 3.439 10 10 DGCE C[C@H]1Cc2ccccc2N1[C@H](CN)c1cc(Cl)ccc1O 1083677022 CKUYOBMQCWAJGH-MEDUHNTESA-N 302.805 3.497 10 10 DGCE CC(C)c1ncsc1NC(=O)NCc1c(O)cccc1F 931666203 LQAJYFWSNNKAFK-UHFFFAOYSA-N 309.366 3.433 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)NCCCCC2CC2)c1 869055565 TXECQQDJLQZIGW-LBPRGKRZSA-N 306.406 3.341 10 10 DGCE COc1ccc(O)c(CNC(=O)CC2CCC(F)(F)CC2)c1 860242167 QIXCPCNCABHOAT-UHFFFAOYSA-N 313.344 3.233 10 10 DGCE C[C@H](N[C@@H]1CCOC[C@H]1C)c1ccc(Br)cc1O 762647195 FGVDWTUHLHIFKN-GBIKHYSHSA-N 314.223 3.230 10 10 DGCE C[C@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)C[C@H]1F 779148656 IGQAXMKOBQIAML-GZMMTYOYSA-N 302.733 3.134 10 10 DGCE COc1ccc2c(c1)N[C@@](C)(C(C)C)CN2C1CCNCC1 76931176 AZWOXPKFEDLWFK-GOSISDBHSA-N 303.450 3.094 10 10 DGCE CC(C)COc1ccccc1NC(=O)Cc1ccc(O)c(O)c1 1136320505 RHSGUMTVUYAAHQ-UHFFFAOYSA-N 315.369 3.314 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC1CC(C)C1 1149167259 DGQBEIWPRGNQAZ-UHFFFAOYSA-N 310.397 3.435 10 10 DGCE CNCc1ccc(N(C)CC(C)(F)F)c(Br)c1 692887536 CTGYBYFFJOKNDO-UHFFFAOYSA-N 307.182 3.260 10 10 DGCE CCCN[C@]1(CO)CCC[C@H](Sc2nccs2)[C@@H]1C 2119183922 KKMVTEVDQGQCTA-OBJOEFQTSA-N 300.493 3.155 10 10 DGCE Cc1cc(CN2C[C@@H](C)O[C@@](C)(C(F)F)C2)ccc1N(C)C 1174723526 CLXUGLLFUMVKGF-CXAGYDPISA-N 312.404 3.306 10 10 DGCE CC(=O)Nc1c(C)cccc1C(=O)N[C@@H](C)c1ccccc1O 1171730980 VHGUOGUWQQBVHR-LBPRGKRZSA-N 312.369 3.150 10 10 DGCE CC[C@H](NCCOCCCO)c1cc(Cl)cc(Cl)c1O 1258392052 RCBCMAHZTZYEMV-ZDUSSCGKSA-N 322.232 3.139 10 10 DGCE Cc1cc(C(=O)N2CC(N=[N+]=[N-])C2)cc(C)c1Br 2220094486 WHNQABAXECNCEZ-UHFFFAOYSA-N 309.167 3.201 10 10 DGCE Cc1cc(CCNC(=O)N2C[C@H]3C[C@H]3C2)c(C)n1-c1ccccc1 1479064895 ZFZVLYHGXJECLZ-HDICACEKSA-N 323.440 3.298 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCc2c(Cl)cccc21 1625548905 DBZVBVJBYGGMOT-AWEZNQCLSA-N 317.772 3.097 10 10 DGCE C/C(=C(\F)C(=O)N1CCOc2cc(N(C)C)ccc21)C1CC1 1628727305 RLTLDITYFFWHPK-LFIBNONCSA-N 304.365 3.132 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)Nc1nc2ccc(F)cc2o1 1639768610 JHEMCWSEKRODJW-VIFPVBQESA-N 302.305 3.421 10 10 DGCE COc1ccc(N(C)CCN(C)C[C@@H]2CC[C@@H]3C[C@H]3C2)cc1 1643685492 ZSYXFJYSHRDSTP-BRWVUGGUSA-N 302.462 3.499 10 10 DGCE Cc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(Cl)c2O)c1 1648606091 HQKMAFGXRDGFMY-UHFFFAOYSA-N 320.732 3.192 10 10 DGCE COc1ccc([C@@H]2CN(Cc3ccc(N)cc3)C(=O)O2)cc1C 585893646 VOSKBSJDOJYQLQ-KRWDZBQOSA-N 312.369 3.279 10 10 DGCE COC(=O)[C@@H](NCCCN=[N+]=[N-])c1cc(Cl)ccc1Cl 234547427 YUHMXUGLJDRFNW-NSHDSACASA-N 317.176 3.498 10 10 DGCE Cc1nscc1CNCc1c(O)cccc1Br 1945130762 MWVIUKKDMPEZHR-UHFFFAOYSA-N 313.220 3.209 10 10 DGCE Cc1cccc(O)c1CN[C@H]1CN(Cc2ccccc2)C[C@H]1C 1963063757 FKJLXCPWIYUCGS-APWZRJJASA-N 310.441 3.311 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@@H]1C[C@H]2O[C@H]1[C@H]1C[C@@H]12 2144067080 ZTQRYHLTHHBGFC-OEAYZANCSA-N 314.212 3.212 10 10 DGCE COc1ccc(Br)c(CNCCC(C)(F)F)c1O 1964083005 UFHPSZZSCQODRM-UHFFFAOYSA-N 324.165 3.298 10 10 DGCE Cc1ccc(O)c([C@@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)O)c1 1951841417 ACAIPHRVDHOHTE-CYBMUJFWSA-N 323.389 3.377 10 10 DGCE CN(C)c1ccc([C@H](N)[C@@]2(C)CCN2C(=O)OC(C)(C)C)cc1 1977944484 GOISSPNPKHHLGJ-MAUKXSAKSA-N 319.449 3.152 10 10 DGCE CCN(CCc1ccc(N)cc1)C[C@@H](C)NC(=O)OC(C)(C)C 1977926235 LOAWHLKGHCMHGK-CQSZACIVSA-N 321.465 3.046 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]([C@](C)(N)c2ccccc2O)C1 1993731539 UPUITSHYCRXQEH-VFVRVIDISA-N 320.433 3.260 10 10 DGCE Cc1nc(Br)sc1CN1CCC[C@H]1CN=[N+]=[N-] 2011871539 YEURQLRROGWMGS-QMMMGPOBSA-N 316.228 3.489 10 10 DGCE Cc1cc(Br)cc([C@H](NN)c2ccccc2O)c1 2029555025 FQQBBLBPQJFTKX-AWEZNQCLSA-N 307.191 3.016 10 10 DGCE CCCNCc1cc(F)c(N(C)[C@@H]2CCSC2)c(F)c1 62710457 OAQBDLHYLFKHCD-GFCCVEGCSA-N 300.418 3.406 10 10 DGCE CO[C@H]1CC[C@H](C)N(Cc2ccc(Br)cc2O)C1 687212852 DHWPBMOONALVQA-GWCFXTLKSA-N 314.223 3.154 10 10 DGCE CCN1CCc2cc([C@H](O)[C@@H]3SCCS[C@@H]3C)ccc21 2163074570 UEMOOWQWJKUXGJ-XFBWCDHKSA-N 309.500 3.340 10 10 DGCE COc1ccc(O)c([C@@H](C)n2nc(CC(C)C)cc2C=O)c1 2070031543 CKPYKBPZOICKPM-GFCCVEGCSA-N 302.374 3.218 10 10 DGCE Oc1c(F)cc(Br)cc1CN[C@@H]1[C@H]2CCC[C@H]21 883177745 HTGQWDFZCKOTAZ-IAZYJMLFSA-N 300.171 3.182 10 10 DGCE CNCc1cc(-c2ccccc2)nn1Cc1cccc(OC)c1O 2070084362 SRANDEMEDOKYLT-UHFFFAOYSA-N 323.396 3.032 10 10 DGCE CN(C)Cc1cc(C2CCC2)nn1Cc1cc(F)ccc1O 2070162299 ZHECNWHWMKXPDW-UHFFFAOYSA-N 303.381 3.105 10 10 DGCE Oc1cccc(F)c1Cn1ncc(C2CC2)c1Br 2070262581 XXNBEBYTCZVEIJ-UHFFFAOYSA-N 311.154 3.416 10 10 DGCE CN[C@@H](c1ccc(N(C)C)cc1)c1coc(Br)c1 2044719495 PNUWQBXYAWUOCM-AWEZNQCLSA-N 309.207 3.417 10 10 DGCE CO[C@@H]1C[C@@H]2C[C@@H](Nc3c(N)cccc3Br)[C@@H]2C1 2070342797 HGBODEPEXRMSMT-VWMGYNLJSA-N 311.223 3.257 10 10 DGCE Cc1cc(Br)cnc1[C@H](O)c1ccc(N(C)C)cc1 2269730895 JQWJSZVFALUAJI-OAHLLOKOSA-N 321.218 3.300 10 10 DGCE Oc1cccc(Cl)c1CN1CC[C@H](OC(F)(F)CF)C1 2238816970 HMLIPWAITPOVIF-VIFPVBQESA-N 309.715 3.199 10 10 DGCE Oc1c(Cl)cccc1CNc1cnncc1Br 2253268819 AHPBMCGHRVBJFM-UHFFFAOYSA-N 314.570 3.210 10 10 DGCE CNCc1ccc(N2CCc3ncsc3CC2)cc1Cl 2287244224 SABJBTNXQXOOMU-UHFFFAOYSA-N 307.850 3.121 10 10 DGCE OCc1ccc(N2C[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2)cc1Br 2264957222 YHWRJNXMHMXTQH-HGSJOUDDSA-N 322.246 3.424 10 10 DGCE CO[C@@H]1C[C@H](CF)N([C@@H](C)c2cc(Cl)c(C)cc2O)C1 2286445313 SFFMEDGUNONJKU-QJPTWQEYSA-N 301.789 3.474 10 10 DGCE CCCN1C(=O)C(=Cc2c(C)nc3ccccn23)SC1=S 2323693580 COTHQCVSCBOIKM-UHFFFAOYSA-N 317.439 3.254 10 10 DGCE COC1C(C)(C)C(Sc2nccs2)(C(=O)O)C1(C)C 2351866006 RXPGSJFPUGRKIT-UHFFFAOYSA-N 301.433 3.140 10 10 DGCE COc1ccc(O)c(CN(C[C@H]2CCCO2)C2CCCC2)c1 180456170 WDPSEMVSKDFQTF-QGZVFWFLSA-N 305.418 3.324 10 10 DGCE Cc1nc(CN(C)c2ccc(/C=C\C(=O)O)c(C)c2)cs1 220151484 VHHHAUOBRVJZDX-ALCCZGGFSA-N 302.399 3.494 10 10 DGCE CCN(CC)c1ccc(CN2CC[C@@](O)(C(F)(F)F)C2)cc1 93612219 OGXWJNNHGKWSOY-HNNXBMFYSA-N 316.367 3.032 10 10 DGCE NCc1ccc(N2CC[C@H](OCc3ccccc3)C2)c(F)c1 383897038 FPAGJCARLWVSBI-INIZCTEOSA-N 300.377 3.080 10 10 DGCE CC(C)CNCc1ccc(N2CC[C@H]([C@H](C)O)C2)c(Cl)c1 252779839 SGKSHRLNWCYFED-ZFWWWQNUSA-N 310.869 3.293 10 10 DGCE CCN(C)c1ccc([C@@H](C)NC2CCC(C(=O)NC)CC2)cc1 268809876 AROBXNGCRSMQLS-ODIFPOPNSA-N 317.477 3.098 10 10 DGCE Cc1nc(CCNCc2cc(Cl)c(F)cc2O)cs1 294253448 NMJNJEVAPWTLEA-UHFFFAOYSA-N 300.786 3.282 10 10 DGCE CN[C@H](c1ccc(N(C)C)cc1)[C@H](O)c1cscc1Cl 2163132402 BIFGZZZQNUDVPW-HUUCEWRRSA-N 310.850 3.462 10 10 DGCE CN[C@@H](c1ccc2c(c1)CCN2C)c1ncc(SC)s1 2164120659 UFQGWIXLZLACOR-AWEZNQCLSA-N 305.472 3.166 10 10 DGCE Cc1cc(N(C)C)ccc1CNC[C@H](O)c1cc(F)ccc1F 819076440 CBFSHQXKSDIIAQ-SFHVURJKSA-N 320.383 3.162 10 10 DGCE C[C@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)[C@@H]1C(=O)O 818631807 QSDSHUFRZLKUBY-YJBOKZPZSA-N 316.445 3.362 10 10 DGCE COc1cc(C)cc(CN2CCS[C@H](C(F)(F)F)C2)c1O 905705027 JXTBQLRIYGASKZ-LBPRGKRZSA-N 321.364 3.189 10 10 DGCE CCOC(=O)CC(C)(C)CN(C)c1ccc(OC)c(OC)c1 839011205 IDTLPWVLJSGXMG-UHFFFAOYSA-N 309.406 3.119 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1CCOc1ccc(N)cc1 1952989892 AQBSIOSSKGSANK-OLZOCXBDSA-N 306.406 3.199 10 10 DGCE O=C(NCc1cc(Br)ccc1O)C1CC2(CCC2)C1 843887765 ZXODBXZPDLRYTJ-UHFFFAOYSA-N 324.218 3.351 10 10 DGCE C[C@H](N[C@@H]1C[C@H](O)C12CCC2)c1cccc(C(F)(F)F)c1O 850547240 SHMIKZJNZNUJAD-BIMULSAOSA-N 315.335 3.365 10 10 DGCE Cc1ccc(N2C(=O)/C(=C/c3cn[nH]c3)SC2=S)cc1 751527001 QLXHWSPQVMHDRE-SDQBBNPISA-N 301.396 3.124 10 10 DGCE C[C@H](NC[C@@H](O)CCOCc1ccccc1)c1ccccc1O 931555591 YXPCELQOIFNYBM-RDJZCZTQSA-N 315.413 3.011 10 10 DGCE CCN(CC)c1ccc(CN[C@H]2C[C@H](C)n3ncnc32)cc1F 850351659 GLIBISCRTYDPEO-WFASDCNBSA-N 317.412 3.059 10 10 DGCE c1cc(CN(Cc2ccc(N3CCOCC3)cc2)C2CC2)co1 934004185 OEIFIIVXIOCGNV-UHFFFAOYSA-N 312.413 3.281 10 10 DGCE O=C(N[C@H]1CCC[C@H](F)C1)c1cc2cc(O)c(O)cc2s1 1119562713 WUCGNKWVGLOEMG-UWVGGRQHSA-N 309.362 3.323 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@@H]2Nc1ccc(N)cc1 1959366162 SGUCWRFSMXSBQO-UGFHNGPFSA-N 303.406 3.079 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](Nc3ccccc3N)C[C@H]21 1959360668 DTPSBJZBZBVYDU-BYCMXARLSA-N 303.406 3.079 10 10 DGCE Oc1cccc(Br)c1CNC1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 706875326 VHSHXMUCTPJXEX-QYAIJTBZSA-N 308.219 3.289 10 10 DGCE Oc1cccc(Cl)c1CNCc1ccnc(OC(F)F)c1 790636409 OQVHCJJHBJASFV-UHFFFAOYSA-N 314.719 3.332 10 10 DGCE Nc1cccc(Br)c1N[C@H]1CCN2CCCC[C@@H]12 697528952 LOSYUGBDCSWYFE-STQMWFEESA-N 310.239 3.070 10 10 DGCE Cc1ccc(CN[C@H]2CCSC2)c(O)c1Br 1905140908 CEZNPABEGDCUTE-JTQLQIEISA-N 302.237 3.058 10 10 DGCE C/C(=C\c1cccnc1)C(=O)N1C[C@H](C)Oc2c(F)cccc21 1269475778 XHAZAYXQUHQGLU-SRXBQZRASA-N 312.344 3.438 10 10 DGCE CO[C@@H]1CCN(c2ccc([C@@H](C)O)c(Br)c2)[C@H]1C 1914235122 AJWRBXMMGXUCMP-IMSIIYSGSA-N 314.223 3.116 10 10 DGCE COc1cc(N(C)C[C@@H]2CCC(C)(C)CO2)cc(OC)c1OC 1459488425 LOQNHNCNWDCLHA-AWEZNQCLSA-N 323.433 3.354 10 10 DGCE COc1ccc(N(CCNC(=O)NC(C)C)CCC(C)C)cc1 1460057981 ZYIJODNFGOBRRS-UHFFFAOYSA-N 321.465 3.255 10 10 DGCE N[C@]1(c2ccccc2O)CCc2cc(Br)ccc21 1920443647 HEQIMHHQQOVKMZ-OAHLLOKOSA-N 304.187 3.303 10 10 DGCE Cc1[nH]c(C(=O)NCc2c(O)ccc3ccccc23)c(C)c1C=O 1472084939 HVBGZXIRFLYZAT-UHFFFAOYSA-N 322.364 3.233 10 10 DGCE Cc1ccnc(CN(C)Cc2ccc(N)cc2)c1Br 1926845295 QGQBIJRICWWYQK-UHFFFAOYSA-N 320.234 3.367 10 10 DGCE COc1ccc2c(ccn2CC(=O)N[C@H](C)c2ccccc2O)c1 1635793896 MSINQRVLSVLYOP-CYBMUJFWSA-N 324.380 3.233 10 10 DGCE CC[C@@H](C)[C@H](C)N1CCN(c2ccc(OC)cc2OC)CC1 1560083129 QLLKUKIRFWWIPD-CABCVRRESA-N 306.450 3.260 10 10 DGCE COc1cccc2[nH]c(C(=O)NCc3cc(C)ccc3O)cc12 1641732422 AYTRBWHBNZIUCJ-UHFFFAOYSA-N 310.353 3.121 10 10 DGCE Cc1cnc(NCc2ccc3cccnc3c2O)c([N+](=O)[O-])c1 1642823565 KLKCTUHLEPUXBE-UHFFFAOYSA-N 310.313 3.164 10 10 DGCE Cn1cc(C(=O)NCc2cccc(Cl)c2O)c2ccccc21 1648606621 UJTKPVLUFZCPQG-UHFFFAOYSA-N 314.772 3.467 10 10 DGCE C[C@@H](NC(=O)/C=C\c1ccc(Cl)nc1)c1ccccc1O 1587447268 NJOWNHLIRBBHSV-GXMKHXEJSA-N 302.761 3.331 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@](N)(c2ccccc2O)C1 1933867307 RZDBLMXPWNEMRY-PXAZEXFGSA-N 306.406 3.014 10 10 DGCE CN(C[C@@H]1CCCOC1)c1ccc(CN)cc1C(F)(F)F 163718791 ROKKSTZFOKTOEU-LBPRGKRZSA-N 302.340 3.027 10 10 DGCE Oc1ccc(Br)cc1CNC[C@@H]1C[C@]12CC2(F)F 1876068296 HDQYSLJPJWGGQE-CABZTGNLSA-N 318.161 3.290 10 10 DGCE Nc1ccc(OCCNc2ccc(N)cc2Br)cc1 1876230916 RTUYCIXMODUQJG-UHFFFAOYSA-N 322.206 3.104 10 10 DGCE [N-]=[N+]=N[C@H](CO)c1ccc(I)cc1Cl 1951369309 UJEPMBZQKRRWLL-MRVPVSSYSA-N 323.521 3.288 10 10 DGCE C[C@@H]1CCCN(c2ccc(N)cc2)[C@H]1CNC(=O)OC(C)(C)C 1977978062 HPINSQRQTCCNDV-CJNGLKHVSA-N 319.449 3.398 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]2CCN(CCCN=[N+]=[N-])C[C@H]2C1 1982248313 SIPSHSZOWIVNPW-KBPBESRZSA-N 323.441 3.266 10 10 DGCE CC[C@H](N[C@H]1CC[C@@H]1NC(=O)OC(C)(C)C)c1ccccc1O 1986711755 GLFCCIHMUYRLDV-KKUMJFAQSA-N 320.433 3.489 10 10 DGCE Cc1ccc(CN[C@H](C)C(C)(C)NC(=O)OC(C)(C)C)c(O)c1 1994458838 ZLYJWPCWXYFMHU-CYBMUJFWSA-N 322.449 3.482 10 10 DGCE C[C@H](N)c1ccc(N2C[C@H](F)C[C@H]2C)c(Br)c1 1997694640 XBHDZSRVFCWGCT-WCABBAIRSA-N 301.203 3.406 10 10 DGCE CN(c1ccc2c(c1)CC[C@@H]2N)[C@H]1CCN(Cc2ccccc2)C1 2012708674 GQORNYZIYISHHR-FPOVZHCZSA-N 321.468 3.343 10 10 DGCE CO[C@@H]1CN(Cc2cc(Br)ccc2O)CC1(C)C 2032404592 AULWVDRCXUYHAZ-CYBMUJFWSA-N 314.223 3.012 10 10 DGCE CN[C@@H](C)c1ccc(N2CCOC[C@H]2C(F)F)cc1Cl 2175653058 FHLLAOJZQKBRMT-ZANVPECISA-N 304.768 3.091 10 10 DGCE Cc1ccc(CN[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c(O)c1 1658929315 JXLJWGUFNKXYLD-UKRRQHHQSA-N 320.433 3.046 10 10 DGCE CN(C(=O)C=Cc1c(Cl)nc2sccn12)c1cccnc1 2297570083 MGTSAAQNWITAFH-UHFFFAOYSA-N 318.789 3.120 10 10 DGCE O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(O)c(O)c(O)c1 586737578 OZAZIPSHMBZQOX-UHFFFAOYSA-N 314.124 3.363 10 10 DGCE O=C1C(=Cc2cccs2)SC(=S)N1Cc1ccon1 2300341932 OCQJLKNXKPJBGR-UHFFFAOYSA-N 308.409 3.138 10 10 DGCE Cc1ncc(CN(C)c2ccc([C@@H](C)N)cc2Br)o1 2342828695 KJRUFNOGDJMOGF-SECBINFHSA-N 324.222 3.402 10 10 DGCE CC[C@H](C)c1cc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)on1 173131355 JGDCZYMKCWXLOQ-QWRGUYRKSA-N 318.373 3.393 10 10 DGCE Cc1nc([C@@H]2CCCN2Cc2cc([N+](=O)[O-])ccc2O)cs1 189844583 MEANXCYUTNJUCM-AWEZNQCLSA-N 319.386 3.402 10 10 DGCE COc1ccc2[nH]c(C(=O)NCc3ccc(N(C)C)cc3)cc2c1 188907894 NDFLVGFSLNFDBB-UHFFFAOYSA-N 323.396 3.173 10 10 DGCE COc1ccc(CNC(C)(C)C)cc1CN(C)CC(F)F 136806124 OHZNMBVKKQPPEJ-UHFFFAOYSA-N 300.393 3.280 10 10 DGCE [N-]=[N+]=NCCCOc1cccc(I)c1 42416197 WNHGQULBNFPTCJ-UHFFFAOYSA-N 303.103 3.370 10 10 DGCE COc1ccc(O)c(CN[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)c1 529639187 DJCFFNKEXGOUAT-BPQIPLTHSA-N 315.800 3.482 10 10 DGCE COC(=O)c1ccc(NCc2c(C)c3ccccc3n2C)cn1 352544950 FAHMFJMAFJUZGZ-UHFFFAOYSA-N 309.369 3.280 10 10 DGCE Cc1cc(Cl)cc(CN2CCOC[C@H]2CC(F)F)c1O 289589084 KIHNFAGNFZBRBL-GFCCVEGCSA-N 305.752 3.210 10 10 DGCE CCc1cc(C)nc(NCc2cc(Br)ccc2O)n1 804827360 PKPYNDAKDMMJNA-UHFFFAOYSA-N 322.206 3.428 10 10 DGCE Cc1cc(Cl)cc(CNC[C@@H](O)Cc2ccccc2)c1O 809722546 BJYXCAGPBIZIRD-INIZCTEOSA-N 305.805 3.047 10 10 DGCE CCN1CCc2cc([C@H](NC)c3ncc(Cl)s3)ccc21 2164078582 PPFBBMRELVIPPC-AWEZNQCLSA-N 307.850 3.488 10 10 DGCE CCN(CC)c1ccc(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)O)cc1 902009816 ZTYYJHFFPUTNIE-RYQLBKOJSA-N 316.445 3.218 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@@H]2CCC[C@@H](N(C)C)C2)cc1 835044130 WWKPLOHTMDHXRN-WAQVGJNASA-N 301.478 3.228 10 10 DGCE CN(C)c1ccc(/C=C/CNCC2(CF)CCOCC2)cc1 835054963 OMORVFKUAXOBSX-ONEGZZNKSA-N 306.425 3.122 10 10 DGCE C[C@H](N[C@@H]1CCOC1(C)C)c1cc(Br)ccc1O 834875041 KMMGERBPEKWNDJ-TVQRCGJNSA-N 314.223 3.373 10 10 DGCE CCc1cccc(CN[C@@H]2CCO[C@@H](c3cccnc3)C2)c1O 848917038 ZZKAHIVGEKMRKF-QZTJIDSGSA-N 312.413 3.360 10 10 DGCE C[C@@H](NCc1cccc(Cl)c1O)[C@](C)(O)c1ccccc1 846039443 SUFCXKTYRVIKFJ-PXAZEXFGSA-N 305.805 3.431 10 10 DGCE CCOC(=O)c1ccccc1N(C)C(=O)/C=C/c1ccc(C)nc1 754244834 RXEKYYIUJZXNQT-VAWYXSNFSA-N 324.380 3.243 10 10 DGCE COc1ccc(N(C)CCC2C[C@@H]3CC[C@H](C2)N3)c(OC)c1 923374257 XHFLSXPEZXTKDU-GOOCMWNKSA-N 304.434 3.061 10 10 DGCE CN(C)c1cc(F)c(CN2CCO[C@](C)(C3CC3)C2)cc1F 862409517 UQBRCLJBJKCALR-KRWDZBQOSA-N 310.388 3.032 10 10 DGCE C[C@@H](N[C@H](C)c1ccnn1C)c1cc(Br)ccc1O 866612648 AVLDQCVCPIHVNM-NXEZZACHSA-N 324.222 3.300 10 10 DGCE C[C@@H](Cc1ccoc1)N[C@H](C)c1ccc(N2CCOCC2)cc1 766541763 VDFVSKGANPVSMG-JKSUJKDBSA-N 314.429 3.398 10 10 DGCE COC[C@@H](NC(=O)N[C@@H](C)c1ccccc1O)c1ccccc1 868470049 PVAVBFGIDANZDT-XJKSGUPXSA-N 314.385 3.140 10 10 DGCE CN(C)c1ccc(CN2CCC[C@@H](C(=O)OC(C)(C)C)C2)cc1 785809121 BHCNNMZIEFPOQF-MRXNPFEDSA-N 318.461 3.306 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCC(C)(C)O1 782368410 FYQVXOURUFCUMZ-KRWDZBQOSA-N 318.461 3.447 10 10 DGCE F[C@@H]1CCN(c2ccc(CNC3CC3)cc2Br)C1 689827454 KRDYVBLSUDHCFK-LLVKDONJSA-N 313.214 3.249 10 10 DGCE CNC(=O)C[C@H](N[C@@H](C)c1cc(C)ccc1O)c1ccccc1 795852698 RKCJWMSYDJJHOE-YOEHRIQHSA-N 312.413 3.229 10 10 DGCE C[C@@H](O)c1ccc(N(C)CCn2cccc2)c(Br)c1 2115198428 ZJQHVDMNEUEOOO-GFCCVEGCSA-N 323.234 3.440 10 10 DGCE O=C(NCc1cccc(Cl)c1O)NC[C@@H]1C[C@H]2CC[C@H]1C2 1312498300 GEXRDUCCLWYTJJ-GVXVVHGQSA-N 308.809 3.281 10 10 DGCE C[C@@H](NC(=O)c1cc(Cl)c(F)cc1N)c1ccccc1O 1171723098 MDRBIZZXRMTDFW-MRVPVSSYSA-N 308.740 3.258 10 10 DGCE CCN1CCN(C(=O)/C=C\c2ccc(C)nc2)c2ccccc21 1325303138 OXJSBUFLDHRLPW-KHPPLWFESA-N 307.397 3.276 10 10 DGCE CC/C=C/CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1 1251361988 SWCORKOTFGNFRB-SNAWJCMRSA-N 301.434 3.394 10 10 DGCE Cc1nccn1[C@H](C)CNCc1ccc(Br)cc1O 2129520177 VUCVOPSVVOIVKV-SNVBAGLBSA-N 324.222 3.010 10 10 DGCE C/C(=C\C(=O)N1CCCSc2ccccc21)c1cnccn1 1350753528 ANODEPVPJYCTNT-ACCUITESSA-N 311.410 3.409 10 10 DGCE C[C@@H](NC(=O)c1cccc2c1OCC2)c1ccc(N(C)C)cc1 1529478219 AKGHEQNLYTYRRD-CYBMUJFWSA-N 310.397 3.179 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccc(F)cn1 1523553682 NESPJRIDUWTTJH-UHFFFAOYSA-N 313.376 3.093 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H](C)O[C@@H]2C)cc1 1535054365 VLBPSPZRPRFIRD-IIDMSEBBSA-N 312.413 3.390 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]12 1464505988 LMVUYYTYJCNBBC-VINWQNLFSA-N 312.457 3.393 10 10 DGCE C[C@H](NCc1csnc1Br)c1ccccc1O 1925353866 ASASZBCHFLQDPJ-QMMMGPOBSA-N 313.220 3.462 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H](C2CCC2)CC1 1558058367 OIDVVHFFQUBMLK-HNNXBMFYSA-N 303.402 3.069 10 10 DGCE O=Cc1ccc(/C=C\C(=O)NCc2cc(Cl)ccc2O)cc1 1628680365 HMCOFSBWDISEOT-YVMONPNESA-N 315.756 3.188 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1C[C@@H](C)C[C@@H]1C 1636263934 VVNJWKJFQGEOSH-BPUTZDHNSA-N 317.477 3.432 10 10 DGCE C[C@H](NC(=O)[C@H](C)n1cnc2ccccc21)c1ccccc1O 1642830277 CFHZBRUZTLJKRO-STQMWFEESA-N 309.369 3.180 10 10 DGCE C[C@@H](N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1O 1931310416 KNKWDCYQPUPGOO-UPJWGTAASA-N 306.406 3.099 10 10 DGCE CC[C@H](C)C(=O)NC[C@H](NCc1ccc(OC)c(C)c1)C1CC1 1690143640 YFLLBGCUCVVZOZ-GUYCJALGSA-N 318.461 3.034 10 10 DGCE Oc1cccc(CNc2c(F)c(F)c(F)c(F)c2F)c1O 158849129 RYGNETRQKGVDRA-UHFFFAOYSA-N 305.202 3.405 10 10 DGCE CCOCCN(C)c1c(F)cc(CNCC(C)C)cc1F 157335500 LWQPPAOCUMOBBU-UHFFFAOYSA-N 300.393 3.183 10 10 DGCE CCN[C@@H](c1ccccc1O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 1936970840 PMOVARUPSGZNNR-XJKSGUPXSA-N 320.433 3.300 10 10 DGCE Nc1ccc(CC(=O)NC2(CCOCc3ccccc3)CC2)cc1 1942676736 QXWWWIMZTBFXKD-UHFFFAOYSA-N 324.424 3.067 10 10 DGCE COc1ccc(CNCCCCOCc2ccccc2)c(O)c1 237346783 NWAPKKROCLBUFL-UHFFFAOYSA-N 315.413 3.487 10 10 DGCE Oc1cccc(Br)c1CNCC1(CCF)CC1 2018892040 BTPZVHIVZCYAHA-UHFFFAOYSA-N 302.187 3.384 10 10 DGCE Oc1ccc(CNCc2ccsc2Br)cc1O 388546835 IBZCAVHJFUJCRQ-UHFFFAOYSA-N 314.204 3.212 10 10 DGCE NCc1ccc(N2C[C@@H]3CC=CC[C@H]3C2)cc1Br 723180612 UAIKRGHJPLALRO-STQMWFEESA-N 307.235 3.310 10 10 DGCE COc1ccc([C@H](C)n2nc(C(C)C)c(CO)c2Cl)c(O)c1 2079999124 VEHZDRRCGGSPOU-JTQLQIEISA-N 324.808 3.476 10 10 DGCE Oc1c(Cl)cccc1CNCc1cc(C(F)(F)F)on1 2192909306 YBBHIHLVNUPXIE-UHFFFAOYSA-N 306.671 3.342 10 10 DGCE COc1ccc(Br)nc1NCc1ccc(N)cc1 2056030950 WHPXVFXOQXTDIF-UHFFFAOYSA-N 308.179 3.047 10 10 DGCE CCNCc1ccc(N2C[C@@H]3[C@H](C(F)F)[C@@H]3C2)c(Cl)c1 2192282548 NNYRUJVIFKKWMG-GNXNZQSNSA-N 300.780 3.397 10 10 DGCE CN1C[C@@H]2CC[C@@H](Nc3c(N)cccc3Br)C[C@H]2C1 2089103302 HJRUNQGBKIZODQ-SDDRHHMPSA-N 324.266 3.174 10 10 DGCE C[C@@H](N)c1ccc(N2CC3(CC=CCO3)C2)c(Br)c1 2094984575 FOIUSIRKSPIZHB-LLVKDONJSA-N 323.234 3.004 10 10 DGCE COc1ccc(Br)c(CNC2(CCF)CC2)c1O 2208895543 NUXFGOVPWFYEIN-UHFFFAOYSA-N 318.186 3.145 10 10 DGCE CN(CCCN=[N+]=[N-])C(=O)[C@H]1CCCN(Cc2ccccc2)C1 2243998054 GFCJINNUEHZCFK-INIZCTEOSA-N 315.421 3.057 10 10 DGCE COc1ccc(Br)c(Oc2ccc(N)cc2)c1N 2258207707 JOHFKXSPKXOSQL-UHFFFAOYSA-N 309.163 3.414 10 10 DGCE CSc1ncc(CNc2ccc(P(C)(C)=O)cn2)s1 2269091303 VYTQMJAYJIMYJW-UHFFFAOYSA-N 313.388 3.120 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)C=Cc2cnc(C)s2)c1 2304863223 VDCTXGJFJPOAEP-SNVBAGLBSA-N 318.398 3.056 10 10 DGCE Cc1ccc(CN2CC[C@](C)(F)C2)c(O)c1Br 2307458392 RECNNGYJDVOUCN-ZDUSSCGKSA-N 302.187 3.397 10 10 DGCE Oc1cccc(Br)c1CN[C@H]1C[C@@H]2C[C@H]1C[C@H]2F 2308606651 QBDXKVMMTVVVGX-NGERZBJRSA-N 314.198 3.381 10 10 DGCE Cc1nc(Br)c(N[C@H](C)c2ccccc2O)n1C 2315676269 GELXAPPYIWPYEY-MRVPVSSYSA-N 310.195 3.370 10 10 DGCE Cc1ccc(CN(C[C@@H](C)O)C(C)C)c(O)c1Br 2327621516 ODKKMCUBACSLNA-LLVKDONJSA-N 316.239 3.054 10 10 DGCE Cc1ccc(CNC(=O)CC2(C)CC2)c(O)c1Br 2327789754 ONHKQMJWWIYHJH-UHFFFAOYSA-N 312.207 3.270 10 10 DGCE Oc1c(F)cccc1CNC[C@@H]1CCN(Cc2ccccc2)C1 309766007 ZLCYSLZJSOCRIN-INIZCTEOSA-N 314.404 3.143 10 10 DGCE CCc1nc(C2(NCc3cc(C)ccc3O)CCCC2)no1 113332030 KXPPZTMQOXLZJC-UHFFFAOYSA-N 301.390 3.205 10 10 DGCE COCCNCc1cc(F)c(N(C)Cc2ccccc2)c(F)c1 302992417 GFYCVSPPAPGDRS-UHFFFAOYSA-N 320.383 3.337 10 10 DGCE COc1ccc(O)c([C@H](C)NC[C@H](O)c2ccc(F)cc2C)c1 305786126 XYXVISDKLVFZEY-SGTLLEGYSA-N 319.376 3.233 10 10 DGCE CC[C@@H](N)Cc1sc(OC)nc1Sc1nccs1 311128150 IORKFOIQJITCNF-SSDOTTSWSA-N 301.462 3.039 10 10 DGCE C[C@@H](NCc1ccc(CO)c(F)c1)c1ccc(N(C)C)cc1 178562139 GACUYPPOVGNNNI-CYBMUJFWSA-N 302.393 3.235 10 10 DGCE Cc1cccc(C)c1CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 186406318 ADGGNVNIGRVIDL-AWEZNQCLSA-N 313.397 3.005 10 10 DGCE CC(C)(C)OC(=O)NC[C@H]1CCCN1Cc1cc(F)ccc1O 180218056 QRXSHMWOIAZCMZ-CQSZACIVSA-N 324.396 3.020 10 10 DGCE Cc1cc(Cl)c(C(=O)NCc2ccc(N(C)C)cc2)cn1 211729378 OJCXTGVDCOMDAW-UHFFFAOYSA-N 303.793 3.039 10 10 DGCE O=C(O)[C@](CCC1CC1)(CSc1nccs1)NC1CC1 2366634077 SPCNPVIGFBJGIY-AWEZNQCLSA-N 312.460 3.001 10 10 DGCE CCOc1ccc(O)c(CN2CCC(OCC(C)C)CC2)c1 92223348 XCWBOIGHAWQSSY-UHFFFAOYSA-N 307.434 3.428 10 10 DGCE CC(C)C[C@H](C)NC(=O)/C=C\c1ccc(N2CCOCC2)cc1 255045737 QSSCQXBYPULDHD-HWYHOQROSA-N 316.445 3.087 10 10 DGCE Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)Cc2ccc(N)cc2)cc1 262628120 LWTCIWKOWQYBDG-AZUAARDMSA-N 324.424 3.156 10 10 DGCE O=C(NCc1cc(Br)ccc1O)[C@H]1C[C@H]2CC[C@H]1C2 804734688 WGWTWPLPFFADSN-KWBADKCTSA-N 324.218 3.207 10 10 DGCE CN(CCCCO)Cc1ccc2c(c1)CCN2Cc1ccccc1 809651893 CAAOSDACIWIBBB-UHFFFAOYSA-N 324.468 3.454 10 10 DGCE O=C(O)/C=C\c1ccc(N2C[C@@H]3CSC[C@H]3C2)cc1Cl 711579084 YDNCKDJXZHDWMG-DNDCWNJCSA-N 309.818 3.237 10 10 DGCE CCCN(Cc1ccccc1O)[C@H]1CCN(C(C)(C)C)C1=O 822653833 CUCKRKXIJVWIRF-HNNXBMFYSA-N 304.434 3.004 10 10 DGCE CCN1CCC[C@H](CNC/C=C/c2ccc(N(C)C)cc2)C1 835035246 FADIEOGVTHEURB-SUQGKYDKSA-N 301.478 3.087 10 10 DGCE Cc1cc(Br)cc(CN2C[C@@H]3C[C@H]2CS3)c1O 839191661 JCGKCYQEVLPUCR-RYUDHWBXSA-N 314.248 3.153 10 10 DGCE CC[C@H](NC[C@@H]1CN(C2CC2)C(=O)O1)c1cc(Cl)ccc1O 848570170 KEMYMZLLECJMNL-OCCSQVGLSA-N 324.808 3.070 10 10 DGCE COC(=O)/C(C)=C/CN(Cc1ccc(N(C)C)cc1)C(C)C 749115919 MAOOXNDIEXIBSU-RVDMUPIBSA-N 304.434 3.082 10 10 DGCE Cc1cc(N(C)C)ccc1CN1CCC[C@]2(CCCOC2)C1 840916299 ITQQOBCRBXBJLX-IBGZPJMESA-N 302.462 3.454 10 10 DGCE CC(C)[C@@H]1COCC[C@H]1NCc1ccc(N2CCCC2)cc1 924650390 XWRYRZKGDYZICH-RBUKOAKNSA-N 302.462 3.438 10 10 DGCE C[C@H](N[C@@H]1CCc2cc(N)ccc21)c1cc([N+](=O)[O-])ccc1O 854227205 UIGSXWLWWPLQDF-MGPLVRAMSA-N 313.357 3.221 10 10 DGCE COc1ccc(O)c([C@@H](C)N[C@@H]2COc3cccc(C)c3C2)c1 858459308 CFCDTMWCCVMGPA-KGLIPLIRSA-N 313.397 3.364 10 10 DGCE CC(C)(C)OC(=O)c1cccnc1N1Cc2cccc(O)c2C1 866116663 ALAAUBZFRGMTBJ-UHFFFAOYSA-N 312.369 3.263 10 10 DGCE CN(C)c1ccc(CNC(=O)N[C@H]2CC3CCC2CC3)cc1 767840917 MWMGTGJXDADBMH-PGEKIEPBSA-N 301.434 3.131 10 10 DGCE COc1ccc(CNCCc2cn(C)c3ncccc23)cc1C 865811576 DKSYZZWMEQVNHC-UHFFFAOYSA-N 309.413 3.223 10 10 DGCE CC(C)(C)c1nc(CC(=O)N2Cc3cccc(O)c3C2)cs1 871200325 AJRPSKOFGWAZNN-UHFFFAOYSA-N 316.426 3.231 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CCC(=O)[C@@H](C)C2)c1 779547269 NRIMWLCGAUUEPQ-AWEZNQCLSA-N 324.424 3.454 10 10 DGCE CC(=O)Nc1ccc(-c2nccn2Cc2ccc(N)cc2)cc1 82735653 DPRKBFBNSDNEGO-UHFFFAOYSA-N 306.369 3.139 10 10 DGCE O=C(Nc1cnccc1-c1ccccc1)c1cccc(O)c1O 1138209099 HORYQMDIHCFDLU-UHFFFAOYSA-N 306.321 3.412 10 10 DGCE CC[C@@H]1OCC[C@@H]1CNCc1c(O)cccc1Br 706871585 KDRSRVOTOAMSKX-YGRLFVJLSA-N 314.223 3.059 10 10 DGCE CC(C)(C)OC(=O)NCC[C@@H]1CCN(c2ccc(N)cc2)C1 1959527565 LTIPWYGSHZGNNE-CYBMUJFWSA-N 305.422 3.010 10 10 DGCE COC[C@@H](C)[C@@H](C)NCc1cc(Br)cc(F)c1O 715745305 LUJNTDYCNFXZNT-RKDXNWHRSA-N 320.202 3.054 10 10 DGCE C[C@H]1CC[C@@H]1NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 796526968 UKYDGPCYHUJSCB-ZFWWWQNUSA-N 303.406 3.473 10 10 DGCE Cc1nnc(N(C)Cc2ccccc2O)n1CC[C@H]1C[C@H](F)C1 1304794840 PZISMTANDWVYQG-CTYIDZIISA-N 318.396 3.067 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1C[C@@H]2CC[C@H](C1)O2 2124956302 VJJPHRPMFQCQJE-ZSBIGDGJSA-N 302.201 3.499 10 10 DGCE C[C@@H](NC(=O)COc1ccc(F)cc1Cl)c1ccccc1O 1171716820 AADUYVHPVPQVCA-SNVBAGLBSA-N 323.751 3.441 10 10 DGCE C[C@@H](C(=O)O)N(Cc1ccccc1)[C@H](C)c1cc(O)ccc1O 1902368386 YFDFAYNBYGKETG-OLZOCXBDSA-N 315.369 3.134 10 10 DGCE CCn1ncc(CN2C[C@H](C(C)C)Cc3cc(OC)ccc32)n1 1195322785 GSVPICORYLWEOX-OAHLLOKOSA-N 314.433 3.142 10 10 DGCE CCC(CC)CN(CC(=O)OC)Cc1cc(Cl)ccc1O 1191682661 QUHCGPNYOCMHHO-UHFFFAOYSA-N 313.825 3.457 10 10 DGCE C[C@]1(C2CC2)CN(Cc2ccc(N3CCCC3)cc2)CCO1 1350592650 BBMJQWWLBVHSKH-LJQANCHMSA-N 300.446 3.288 10 10 DGCE CN(CC1=CCSC1)c1ccc(CO)c(Br)c1 1916833172 AQZOFAASWLZYTF-UHFFFAOYSA-N 314.248 3.051 10 10 DGCE COc1ccc(CNCc2ncccc2Br)cc1C 1474299163 TYIKPEQEYWHCOH-UHFFFAOYSA-N 321.218 3.451 10 10 DGCE C[C@@H](CCC[C@@H](N)c1ccccc1O)NC(=O)OC(C)(C)C 1928481095 RBMVFVQJKFRKCZ-GXTWGEPZSA-N 308.422 3.476 10 10 DGCE CCCN[C@H](c1ccccc1O)[C@H](C)NC(=O)OC(C)(C)C 1928473436 BDZAXLHGGREFMW-WFASDCNBSA-N 308.422 3.346 10 10 DGCE Cc1ccc(C(=O)N[C@H]2c3ccccc3CC[C@H]2F)c(O)c1O 1643473422 QDCNIDPBMDLXLH-CABCVRRESA-N 315.344 3.162 10 10 DGCE Oc1cc(Cl)ccc1CN1CCO[C@@H](CC(F)(F)F)C1 1658598286 FPJVNPAGVIARCR-NSHDSACASA-N 309.715 3.199 10 10 DGCE CCN(C[C@H]1CC[C@H](C2CC2)O1)c1ccc(OC)c(OC)c1 1653749375 LZXPKRLTQKXXLE-HZPDHXFCSA-N 305.418 3.488 10 10 DGCE CCO[C@@H]1[C@@H](C)[C@H]1C(=O)N(C)Cc1ccc(N(CC)CC)cc1 1587460243 RNKISBNMJPIIKM-BMGDILEWSA-N 318.461 3.162 10 10 DGCE Cc1cc(CNC(=O)NOCC(C)C)c(C)n1-c1ccccc1 1670882125 DBNRJVIWPLOMCW-UHFFFAOYSA-N 315.417 3.481 10 10 DGCE CC[C@H](NCCCc1c(C)nn(C)c1C)c1ccccc1O 157032396 HVNKWUUOHSYYCF-KRWDZBQOSA-N 301.434 3.416 10 10 DGCE Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(O)cc1 154069331 OZPOYEQULGDNTE-UHFFFAOYSA-N 307.309 3.208 10 10 DGCE CC(C)(C)OC(=O)N1CCC(=O)[C@@H]1c1ccc(Cl)cc1O 1951866185 DODSRXFNQQQKHY-ZDUSSCGKSA-N 311.765 3.297 10 10 DGCE CN1CCCc2cc([C@@](C)(O)COCc3ccccc3)ccc21 1977933948 HVLGEDUMFPNPQC-FQEVSTJZSA-N 311.425 3.493 10 10 DGCE CC[C@@H]1CN(c2ccc(N)cc2)CC[C@H]1NC(=O)OC(C)(C)C 1977965429 IFRUWZUXBJZAAE-CZUORRHYSA-N 319.449 3.398 10 10 DGCE C[C@H]1CN(Cc2ccccc2)CC[C@@]1(N)c1ccc(N(C)C)cc1 1999510967 ZKTRGQDFIUVIMG-UWJYYQICSA-N 323.484 3.449 10 10 DGCE C[C@H](N(C)c1ccc(CO)cc1Br)C(C)(F)F 2009086023 RRJYRSIEIHVQCX-QMMMGPOBSA-N 308.166 3.421 10 10 DGCE Oc1ccccc1CNC[C@@]12CC[C@@H]1CN(Cc1ccccc1)C2 2023085648 MZBAKCQPDDDWDH-TZIWHRDSSA-N 322.452 3.394 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)c2cccn2Cc2ccccc2)C1 403627293 SWQMYBVMMQHFDK-OAHLLOKOSA-N 309.373 3.451 10 10 DGCE NCc1ccc(N2CCC[C@@H]2C2CC2)c(F)c1Br 706663068 AAPCLNFKOQVNOC-LLVKDONJSA-N 313.214 3.426 10 10 DGCE C[C@@H]1CCN(CCc2ccc(N)cc2)CCN1Cc1ccccc1 382705147 YBGOMFIZVKXQRI-GOSISDBHSA-N 323.484 3.408 10 10 DGCE CC(C)c1cc(CO)n(Cc2cc(C(F)(F)F)ccc2O)n1 2070109640 BJENEWWQRQLAIR-UHFFFAOYSA-N 314.307 3.272 10 10 DGCE Cc1ccc(O)c([C@@H](C)n2ncc(C(=O)OC(C)(C)C)c2O)c1 2070494700 QZSGUZAZCFVFSJ-LLVKDONJSA-N 318.373 3.167 10 10 DGCE CC[C@H](c1ccc(C)cc1O)n1nc(C(F)F)c(C=O)c1N 2079062678 UFQXLVLBEXJAFG-LLVKDONJSA-N 309.316 3.229 10 10 DGCE CN1CC[C@H]2[C@H](CCN2Cc2cc(Cl)cc(Cl)c2O)C1 2170943414 RLAXZQOGPXLICH-YGRLFVJLSA-N 315.244 3.225 10 10 DGCE C[C@@H]1C(CN(C)c2ccc(CN)c(Br)c2F)[C@H]1C 2043301107 OPUDTOAHDYSXPC-IUCAKERBSA-N 315.230 3.385 10 10 DGCE CN(Cc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCCNC1 2112840662 LIGWEXMSXFROCC-GFCCVEGCSA-N 303.233 3.273 10 10 DGCE C[C@@H](N)c1ccc(N(C)Cc2cccn2C)c(Br)c1 2114548653 DETYGMHUKPHVFX-LLVKDONJSA-N 322.250 3.444 10 10 DGCE CCCN=c1cc(C)cc(NCc2cnc(SC)s2)[nH]1 2284715695 WYEMLDUCEXJGKI-UHFFFAOYSA-N 308.476 3.424 10 10 DGCE COc1ccc(N2CCC(NC(=O)C=C(C)C3CC3)CC2)cc1 2297439259 AXWRSDVCCYDIAQ-UHFFFAOYSA-N 314.429 3.137 10 10 DGCE Cc1cc(NS(=O)(=O)C=Cc2ccc(F)cc2)ccc1O 2307253299 XCFXJULWHSDJRD-UHFFFAOYSA-N 307.346 3.252 10 10 DGCE Cc1cc(NC(=O)C=Cc2ccc(O)c(O)c2)c(C)c(C)c1O 2309856034 VWNDSVYMSRZMPE-UHFFFAOYSA-N 313.353 3.381 10 10 DGCE Cc1ccc(CN2C[C@H](F)C[C@@H]2C)c(O)c1Br 2307572259 ULOSTJYZVRNMMO-GXSJLCMTSA-N 302.187 3.395 10 10 DGCE CCCN[C@](CO)(CSc1nccs1)[C@H]1CC1(C)C 2340927777 UREAEJGJXYJWRJ-SMDDNHRTSA-N 300.493 3.012 10 10 DGCE Cc1cc(O)c([C@@H]2NC3(CCCC3)C(=O)N2CC2CC2)cc1C 178542900 YWDFTSAVLXIXIY-QGZVFWFLSA-N 314.429 3.162 10 10 DGCE C[C@@H](N)c1ccc(N2CCN(c3nccs3)CC2)c(Cl)c1 61694159 MWHRSPDPFAICMQ-LLVKDONJSA-N 322.865 3.143 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)C2CCCC2)c1 172194435 HDWSXHJRQAAOOJ-NWDGAFQWSA-N 306.406 3.340 10 10 DGCE Nc1ccc(CC(=O)NCc2cc(Cl)cc(Cl)c2)cc1 2366934095 OFPJVNZHNZIFTM-UHFFFAOYSA-N 309.196 3.435 10 10 DGCE CCCN(CCC)c1ccc(CNc2nc3ncccn3n2)cc1 195035500 WSHJCICFJLCLLV-UHFFFAOYSA-N 324.432 3.363 10 10 DGCE COc1ccc([C@@H](C)NC(=S)Nc2ccc(N)cc2)cc1 240710798 AMRFGDPCSMXASD-LLVKDONJSA-N 301.415 3.325 10 10 DGCE CN[C@H](c1ccc(N(C)C)cc1)c1sc(OC)nc1Cl 2164060541 GYCRQWPTKVGMHF-LLVKDONJSA-N 311.838 3.180 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCOC1(C)C 823750404 ORKQLYCSAKLIQF-OAHLLOKOSA-N 320.433 3.129 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1cnc2cccc(C)n12 906994476 SUNNSKDSSQEGTL-UHFFFAOYSA-N 323.396 3.401 10 10 DGCE CN(C)c1ccc(CNC(=O)C(C)(C)CC(F)F)cc1F 839608144 RPJRTFNWBHIIIV-UHFFFAOYSA-N 302.340 3.189 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCO[C@H]1C1CC1 908045965 XKWWAGNKJZDJSU-AEFFLSMTSA-N 317.429 3.336 10 10 DGCE Cc1ccccc1[C@H](O)CNC/C=C/c1ccc(N(C)C)cc1 835038469 ATZGVWGCRGRSCS-CPSHHHPTSA-N 310.441 3.397 10 10 DGCE Oc1ccc(F)cc1CN[C@@H]1CCN(c2ccc(F)cc2)C1 840978551 SEYHQHPYEBUISS-OAHLLOKOSA-N 304.340 3.039 10 10 DGCE Cc1cc(O)c(CN2CC[C@H]([C@H](O)C(F)(F)F)C2)c(Cl)c1 840951330 WJGASZROOIXABG-ZANVPECISA-N 323.742 3.099 10 10 DGCE Oc1c(F)cc(Cl)cc1CN[C@@H](C1CCOCC1)C1CC1 846042404 LDOZGOLVQWFMEB-OAHLLOKOSA-N 313.800 3.480 10 10 DGCE Cc1cc(CC(=O)NCC2=CCOCC2)c(C)n1-c1ccccc1 854741850 WCGUUNOSISOTHQ-UHFFFAOYSA-N 324.424 3.100 10 10 DGCE C[C@@H](NC(=O)NC[C@@H]1CC(C)(C)OC1(C)C)c1ccccc1O 927632907 PIWQPOSYQRBAJX-OLZOCXBDSA-N 320.433 3.346 10 10 DGCE C[C@@H](CCOc1ccccc1)C(=O)NCc1c(O)cccc1F 928704857 FWCOVSCJUKALEX-ZDUSSCGKSA-N 317.360 3.253 10 10 DGCE COCC1(C(=O)N[C@@H](C)c2cc(OC)ccc2O)CCCCC1 857117152 WYZARWGBKNFPBW-ZDUSSCGKSA-N 321.417 3.175 10 10 DGCE C[C@H](NCC1CCC(O)CC1)c1cc2c(cc1O)CCCC2 850554047 HIQNPKDUHHNWLT-CBCUQQMYSA-N 303.446 3.473 10 10 DGCE CN(C)c1cc(F)c(CN[C@@H](C2CC2)[C@@H]2CCCCO2)cc1F 858186094 QJBITCUVFHWASS-ROUUACIJSA-N 324.415 3.468 10 10 DGCE Cc1csc([C@@H](C)N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)n1 756537105 VWKCQFGJZKYOAV-VHSXEESVSA-N 307.375 3.477 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)CC2CCC2)c1 868983471 DXFRVSJITLUVRW-VXGBXAGGSA-N 306.406 3.340 10 10 DGCE CO[C@@H](CNC(=O)N[C@@H](C)c1ccccc1O)c1ccccc1 868129889 UMNWMDKKIWFRHB-GUYCJALGSA-N 314.385 3.140 10 10 DGCE C[C@@H](NCc1ccn(C)n1)c1cc(Cl)c(Cl)cc1O 774264798 BUNILVWKRDGFJA-MRVPVSSYSA-N 300.189 3.283 10 10 DGCE CN(C)c1ccc(CN[C@@H]2CCCC[C@H]2[C@@H]2CCOC2)cc1 788978016 LRHICTNWDQXQCT-NZSAHSFTSA-N 302.462 3.438 10 10 DGCE CC[C@@H](NC(=O)OC(C)(C)C)[C@H](N)c1ccc(N(C)C)cc1 1959562313 KVYRXZRBMUMXII-HUUCEWRRSA-N 307.438 3.056 10 10 DGCE C[C@]1(CNCc2ccc(Br)cc2O)CC1(F)F 701016581 WMCCITLRKNBTRU-LLVKDONJSA-N 306.150 3.290 10 10 DGCE CC(C)[C@@H]1CC[C@H]1NCc1ccc(N2CCOCC2)c(F)c1 796696538 TYMIGOURVOSYIN-DOTOQJQBSA-N 306.425 3.187 10 10 DGCE CCSc1ccccc1C(=O)NCc1ccc(O)cc1O 1142531222 YPFOMLXRDMTQQG-UHFFFAOYSA-N 303.383 3.140 10 10 DGCE NCc1cc(F)c(N2C[C@H]3CC[C@@H](C3)C2)cc1Br 699331477 DYQRVXZSLUTRPH-UWVGGRQHSA-N 313.214 3.283 10 10 DGCE COc1ccc(N(C)CCN(C)C[C@H]2CC[C@H](C3CC3)O2)cc1 1171730492 WLLMJECRCRMTEC-RTBURBONSA-N 318.461 3.021 10 10 DGCE Cc1nccn1[C@@H](C)CNCc1ccc(Br)cc1O 2129520176 VUCVOPSVVOIVKV-JTQLQIEISA-N 324.222 3.010 10 10 DGCE CO[C@@H]1CC[C@H](C)N(Cc2cc(Cl)cc(C(C)=O)c2O)C1 1196887130 FWACKQCCARECAJ-IINYFYTJSA-N 311.809 3.248 10 10 DGCE CN(C[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32)c1ccc(CN)c(Br)c1 2134488191 WIRVMUZTQGBEEJ-UKTSDXOISA-N 321.262 3.246 10 10 DGCE [N-]=[N+]=NCCN1C[C@@]23CCC[C@]2(C1)CN(Cc1ccccc1)C3 1912172165 CDNSAZSVZLEQAA-HDICACEKSA-N 311.433 3.285 10 10 DGCE CC(C)(O)CN(CCCc1ccc(N)cc1)Cc1ccccc1 1915375235 HPTXBBJTVGFEDB-UHFFFAOYSA-N 312.457 3.475 10 10 DGCE COc1ccc(CNCCCNC(=O)OC(C)(C)C)cc1C 222021414 UVOWSCSKTXUFDY-UHFFFAOYSA-N 308.422 3.008 10 10 DGCE C[C@@H](NCCC(=O)Nc1cc(F)cc(F)c1)c1ccccc1O 1460636132 HTUZEZLTMDQTBJ-LLVKDONJSA-N 320.339 3.350 10 10 DGCE CCCCCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 1537477922 OLNNVMBIMACELQ-SFHVURJKSA-N 319.493 3.442 10 10 DGCE CCC1(C(=O)N(C)C[C@H](C)NCc2ccc(OC)c(C)c2)CC1 1485919809 MKCFWASLEXNMAD-HNNXBMFYSA-N 318.461 3.130 10 10 DGCE Oc1ccc(CN2CCCCC2)c(O)c1CN1CCCCC1 33883193 UMADSTMWTASFPL-UHFFFAOYSA-N 304.434 3.070 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCc2ncc(C)[nH]2)c1 1647988413 AWGLYACZXYIHLT-UHFFFAOYSA-N 322.412 3.364 10 10 DGCE O=C(NCc1c(O)cccc1O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 1597574508 OEHLKPHDBRVHTR-HZSPNIEDSA-N 303.402 3.321 10 10 DGCE CSCC[C@H](C)N(C)c1ccc(CN)cc1Br 161090984 WPPNDZDPGNDOKT-JTQLQIEISA-N 317.296 3.486 10 10 DGCE COc1cccc(/N=N/N2CCN(C(=O)OC(C)(C)C)CC2)c1 1860484694 ZHFLNHMGQGRSKQ-ISLYRVAYSA-N 320.393 3.247 10 10 DGCE CC(C)(C)OC(=O)NCc1cc([C@@H](N)c2ccccc2O)co1 1937893462 AOTYRUXINTVONI-OAHLLOKOSA-N 318.373 3.058 10 10 DGCE Nc1ccc(Nc2ccccc2I)nc1 8435837 NDZSNEKALAFCBZ-UHFFFAOYSA-N 311.126 3.012 10 10 DGCE Cc1c(OCc2ccc(N)cc2)c(=O)ccn1Cc1ccccc1 1857909787 LVIRPNYGOQLXRU-UHFFFAOYSA-N 320.392 3.366 10 10 DGCE CN[C@H](C[C@@H]1C[C@@H]1CNC(=O)OC(C)(C)C)c1ccccc1O 1899729126 QAJKFJZIPBEVMD-GZBFAFLISA-N 320.433 3.204 10 10 DGCE CN(C(=O)CN(Cc1ccccc1)C1CCC1)c1ccc(N)cc1 1946871559 MFFLOKYNYAKVHS-UHFFFAOYSA-N 323.440 3.286 10 10 DGCE Cn1ncc(Br)c1NCc1c(O)cccc1Cl 1949995433 LGOKFEODVANRAC-UHFFFAOYSA-N 316.586 3.154 10 10 DGCE Cc1c([C@H](NC(=O)OC(C)(C)C)C(=O)O)c2ccccc2n1C 1951390839 KPQIIRRAESWEMQ-AWEZNQCLSA-N 318.373 3.137 10 10 DGCE CN(C)c1ccc([C@H]2CC(=O)CN2C(=O)OC(C)(C)C)cc1F 1951981776 CXJAADRMBVBVDP-OAHLLOKOSA-N 322.380 3.143 10 10 DGCE CCOc1cccc([C@@H]2C(=O)CCN2C(=O)OC(C)(C)C)c1O 1951969731 NRTVGACKWHLKGY-CQSZACIVSA-N 321.373 3.042 10 10 DGCE C[C@H]1CC[C@H](CCNCc2cccc(Br)c2O)O1 1967777227 VSSHKAQFOQRGAW-CMPLNLGQSA-N 314.223 3.202 10 10 DGCE CCN[C@@H](C)c1ccc(N(C)CC(F)(F)CO)c(Cl)c1 2150990124 OFLZEGMOYFHEPJ-JTQLQIEISA-N 306.784 3.074 10 10 DGCE CN[C@H](CC1(C)CN(C(=O)OC(C)(C)C)C1)c1ccccc1O 1991977899 UOQVNEMPYVVLDA-CQSZACIVSA-N 320.433 3.300 10 10 DGCE CNCc1ccc(N2CC[C@@H]2C(F)F)c(Br)c1 2004451051 IUYDXOAJSKPPFG-LLVKDONJSA-N 305.166 3.012 10 10 DGCE C[C@H]1CN(c2ccc(CN)cc2C(F)(F)F)C[C@@H](C)S1 163722354 NBZYVBUISYWJKS-AOOOYVTPSA-N 304.381 3.494 10 10 DGCE Oc1c(Br)cc(Cl)cc1CNCc1cnco1 1998759862 QMXDIIDRTZWGBU-UHFFFAOYSA-N 317.570 3.086 10 10 DGCE C[C@@H]1CN(c2ccc3c(c2)CC[C@@H]3N)CCN1Cc1ccccc1 2012710979 WPQUUCIZYWNYCE-IERDGZPVSA-N 321.468 3.343 10 10 DGCE CNCc1ccc(N2CC(COC(F)(F)F)C2)c(Cl)c1 2156329382 KDQSLPVVWNUNIN-UHFFFAOYSA-N 308.731 3.032 10 10 DGCE Cc1ccc(O)c([C@H](C)N[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)c1 300212450 WRQXKUFGZYGNOR-IACUBPJLSA-N 306.406 3.017 10 10 DGCE Oc1cccc2c1[C@@H](NCc1cncc(Br)c1)CC2 702999958 YRAOAZUNLXSLIN-ZDUSSCGKSA-N 319.202 3.327 10 10 DGCE CCNCc1cc(F)c(N2CC[C@H](CSC)C2)c(F)c1 706669522 UAMXVEIUMNWVEA-NSHDSACASA-N 300.418 3.264 10 10 DGCE C[C@H](O)c1ccc(N(C)[C@H](CCO)C(F)(F)F)c(Cl)c1 2178512621 WZDZNTZJCGTUMR-QPUJVOFHSA-N 311.731 3.143 10 10 DGCE Cc1ccc([C@@H](C(C)C)n2nc(C(F)F)c(CN)c2N)c(O)c1 2079061538 YEAMBGJHYQNUEJ-CQSZACIVSA-N 324.375 3.121 10 10 DGCE COCCNCc1cnc(Sc2ncccc2Cl)s1 2099110802 IMVTXICLKJBMMY-UHFFFAOYSA-N 315.851 3.079 10 10 DGCE Cc1ccc(Br)c(C(=O)N2CCC(N=[N+]=[N-])CC2)n1 2112724944 PKKICAHVTPHQJZ-UHFFFAOYSA-N 324.182 3.067 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NC(=O)c1cc2c(s1)CCSC2 2234166670 PDGZJCCDLBHIBB-VHSXEESVSA-N 308.432 3.499 10 10 DGCE C[C@H](CCNCc1cccc(Br)c1O)OC(F)F 2261307793 JPVXSKLDFFRSHH-MRVPVSSYSA-N 324.165 3.262 10 10 DGCE CCOC(=O)c1c[nH]nc1Sc1ncc(C(C)(F)F)s1 2279180806 JPLXPOGLBLXGFZ-UHFFFAOYSA-N 319.358 3.306 10 10 DGCE CC1=CC2=NC(=O)C(=Cc3ccc(-c4ccccc4)o3)C(=N)N2O1 2296768642 USRWAOOQISZBGA-UHFFFAOYSA-N 319.320 3.397 10 10 DGCE CC=C(CC)C(=O)NCc1ccc(N2CCSCC2)cc1 2311460986 PWFVMKOACHYYKP-UHFFFAOYSA-N 304.459 3.212 10 10 DGCE CC1=NN(c2ccc(C)cc2)C(=O)C1=Cc1ccccc1C(=O)O 2332131874 OZGPLFMXFVHCCL-UHFFFAOYSA-N 320.348 3.499 10 10 DGCE Cc1ccc(CN[C@@H](C)c2ccnn2C)c(O)c1Br 2352688409 LHXAMIITZKRYFB-JTQLQIEISA-N 324.222 3.047 10 10 DGCE C[C@@H](N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(O)cc1O 302872798 UMGZTJNHTZZUCH-GDBMZVCRSA-N 312.413 3.023 10 10 DGCE Cc1ccc(O)c([C@@H](C)Nc2ccc(S(C)(=O)=O)cc2)c1 35628625 JIXZQQLVXMYQFA-GFCCVEGCSA-N 305.399 3.277 10 10 DGCE Cn1nc(C(F)F)c(COCc2ccc(N)cc2)c1Cl 2364957976 OXBTVYXYTTZGJD-UHFFFAOYSA-N 301.724 3.310 10 10 DGCE CCCCN1C(=O)CC[C@H]2CN(Cc3ccccc3O)CC[C@H]21 43620285 JBKHZUHPLBWAHJ-DOTOQJQBSA-N 316.445 3.005 10 10 DGCE COC1(C(F)F)CC(CNCc2c(O)cccc2Cl)C1 2369066841 IOGVMSMHULULAP-UHFFFAOYSA-N 305.752 3.196 10 10 DGCE Oc1cc2c(cc1CN1CCC([C@H]3CCCO3)CC1)CCC2 190183310 QTUNBWHLKULEDB-LJQANCHMSA-N 301.430 3.272 10 10 DGCE CCOc1ccc(CN[C@H]2CCCc3nc(O)ccc32)c(O)c1 725849742 WIXPVWSNZLYIEM-HNNXBMFYSA-N 314.385 3.059 10 10 DGCE c1cc(N2CCCCC2)ccc1CN1CC[C@H]2COC[C@@H]2C1 827596673 ZHCQBRWTZRXCRJ-ROUUACIJSA-N 300.446 3.145 10 10 DGCE CN(C)c1ccc(CN2CCC3(CCC(O)CC3)CC2)cc1F 824521794 OPKBKWNMDAOKAA-UHFFFAOYSA-N 320.452 3.409 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@H](Cc2ccccc2)C1 588407072 UIXYAKOEGXBMDE-NBEHIINDSA-N 323.392 3.202 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCC[C@@H](c3ncc[nH]3)C2)cc1 835025805 NPLVQYMPIUPLEF-MAVJXHJTSA-N 310.445 3.369 10 10 DGCE Cc1ccc(C[C@H](CO)NC/C=C/c2ccc(N(C)C)cc2)cc1 835049455 DSKPVESOQAQKSV-DPZZJQGRSA-N 324.468 3.267 10 10 DGCE Cc1ccccc1C[C@@H](CO)NC/C=C/c1ccc(N(C)C)cc1 835050016 MAQAZBNXXMYUIP-IEJURRBGSA-N 324.468 3.267 10 10 DGCE COc1cccc(O)c1CN1CCC2(CC1)C(F)(F)C2(F)F 846016164 UCXSBEZWCJUHCM-UHFFFAOYSA-N 319.298 3.267 10 10 DGCE CCOc1ccc(O)c(CNCc2ccc([C@H](C)N)cc2)c1 841029805 SKOYVDFQVQLRGY-ZDUSSCGKSA-N 300.402 3.100 10 10 DGCE COc1cccc(CNC(=S)Nc2cccc(C)c2C)n1 748045002 UCZCJLLTHZMRGT-UHFFFAOYSA-N 301.415 3.194 10 10 DGCE c1cc(N2CCCCC2)ccc1CN1CC[C@@H]2CNC[C@@H]2CC1 843128911 ZDPDUVIWOIPORG-KDURUIRLSA-N 313.489 3.108 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@H](C)[C@](C)(O)c2ccccc2)c1 846044796 QFGIZXUMQNAWEZ-KSMMKXTCSA-N 315.413 3.348 10 10 DGCE CN(C)c1ccc(CNC(=O)N[C@@H]2CC23CCCC3)cc1F 758545625 OGLXBBZRTHVOED-OAHLLOKOSA-N 305.397 3.024 10 10 DGCE COC(=O)c1ccc(O)c([C@H](C)NC[C@@H](C)c2ccccn2)c1 850483271 VQRQDSLQUIOJOI-OLZOCXBDSA-N 314.385 3.028 10 10 DGCE C[C@@H](N)c1ccc(N2CCO[C@H](C(F)(F)F)C2)c(Cl)c1 698816183 YTKXJALACPRFJL-PELKAZGASA-N 308.731 3.127 10 10 DGCE C[C@H]1CC[C@@H](NCc2ccc(N(C)C)cc2C(F)(F)F)CN1 863649700 GTTZKTFSJYQHEN-WCQYABFASA-N 315.383 3.002 10 10 DGCE Cc1ccc(CN2CCCc3cc(CN)ccc32)nc1Cl 866659681 RIAXWQYAJLECTQ-UHFFFAOYSA-N 301.821 3.455 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)NCC(C)(C)F)cc1 868837766 JWNWNPUQOAMSPW-UHFFFAOYSA-N 309.429 3.422 10 10 DGCE CN(C)c1ccc(CNC(=O)c2ccc(F)c3ccncc23)cc1 1124553812 WGXWOOBWINCUFK-UHFFFAOYSA-N 323.371 3.370 10 10 DGCE CN(C)c1ccc(CNC(=O)C2C[C@@H]3CC[C@H](C2)S3)cc1 887767492 MRAAFZPGSMLHRX-VHRNVKJDSA-N 304.459 3.043 10 10 DGCE C[C@H](N[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c1c(O)cccc1O 394476292 AMAQXZUACAVHQV-TUAOUCFPSA-N 324.421 3.050 10 10 DGCE CCc1cccc(CNC[C@@H](C)N(C)C(=O)OC(C)(C)C)c1O 709407110 PNFFSBRSVRCVKX-CYBMUJFWSA-N 322.449 3.300 10 10 DGCE COc1ccc(CNC(=O)C/C=C\c2ccc(F)cc2)c(O)c1 794380467 DQIXREQTYZPCFJ-IHWYPQMZSA-N 315.344 3.260 10 10 DGCE CC1(C)CO[C@@H](CNCc2cccc(Br)c2O)C1 717395018 NEVDENYGJIYUIJ-LLVKDONJSA-N 314.223 3.059 10 10 DGCE CN(CC1CC1)c1ccc(C=CC(=O)O)cc1Br 1911839738 PDBIYVBINPGWMZ-UHFFFAOYSA-N 310.191 3.393 10 10 DGCE O=C(NCc1c(O)cccc1O)c1cccc(Cl)c1Cl 1472063400 JHQHJAJIRJIOME-UHFFFAOYSA-N 312.152 3.335 10 10 DGCE CC[C@H](C(=O)NCc1cc(C)n(-c2ccccc2)c1C)N(C)C 1557887151 DVIYNKBBQAUHNK-GOSISDBHSA-N 313.445 3.051 10 10 DGCE C[C@@H](NC(=O)COCc1cccc(Cl)c1)c1ccccc1O 1635798983 KWEHHIXYKXTXGL-GFCCVEGCSA-N 319.788 3.440 10 10 DGCE CCC1(C(=O)N[C@H](C)CNCc2ccc(OC)c(C)c2)CCC1 1569013198 GNJPBZNXUGKMIJ-OAHLLOKOSA-N 318.461 3.178 10 10 DGCE CCC1(N(C)C)CCN(Cc2ccc(N(C)C)c(C)c2)CC1 1647946736 GVFVRELTYCHLMG-UHFFFAOYSA-N 303.494 3.367 10 10 DGCE Cc1ncccc1/C=C/C(=O)NCc1cccc(Cl)c1O 1648605913 DTDQKMJYGZKISV-BQYQJAHWSA-N 302.761 3.079 10 10 DGCE CCOc1ccc(N2CCN(C[C@@H](OC)C3CCC3)CC2)cc1 1657876506 UDLBLTRDMUNXPY-LJQANCHMSA-N 318.461 3.022 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)NC2C[C@H]3CC[C@H](C2)C3)c1 1676292726 CGFFTSGTHYZZMN-AGIUHOORSA-N 318.417 3.340 10 10 DGCE Cc1cccc(CNC(=O)c2ccc(Br)cc2)c1O 2139750433 HXNGYRXYOAZYNU-UHFFFAOYSA-N 320.186 3.393 10 10 DGCE CCCNc1nc(C)c([N+](=O)[O-])c(Sc2nccs2)n1 233214882 SZTDLYSHEHLEPB-UHFFFAOYSA-N 311.392 3.123 10 10 DGCE C[C@H]1CCN(Cc2ccccc2)CCN1CCc1ccc(N)cc1 1947746344 MICJBJSPRQUYNO-SFHVURJKSA-N 323.484 3.408 10 10 DGCE Oc1cc(F)ccc1CN[C@@H]1CCCN(Cc2ccccc2)C1 1964593291 DSIDCHNETGCNIZ-GOSISDBHSA-N 314.404 3.286 10 10 DGCE CN(C)c1ccc([C@H](O)c2cnn(Cc3ccccc3)c2)cc1 1977937623 CQVQHKUPGUYBOP-IBGZPJMESA-N 307.397 3.079 10 10 DGCE CC[C@@H](CN(CC)Cc1ccc(N)cc1)NC(=O)OC(C)(C)C 1981724943 FVPYHRRZBFWDOI-INIZCTEOSA-N 321.465 3.394 10 10 DGCE CNCc1ccc(N2CCC[C@@H]2CF)c(Br)c1 2004422771 MBJMINGMBWJURF-LLVKDONJSA-N 301.203 3.107 10 10 DGCE CCN[C@@H](c1ccn(Cc2ccccc2)n1)c1ccccc1O 1992818397 ABJSLZKIVHKEJU-LJQANCHMSA-N 307.397 3.336 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CC2(CCC2)[C@H]1Oc1ccc(N)cc1 1994748252 IZDDCNMJJBYIGD-GJZGRUSLSA-N 318.417 3.484 10 10 DGCE COCCNCc1ccc(N2C[C@@H](F)C[C@@H]2C)c(Cl)c1 2160295081 NXHGRVDRDAFNQP-AAEUAGOBSA-N 300.805 3.013 10 10 DGCE CN(C)c1ccc(CNCc2ccn(Cc3ccccc3)n2)cc1 284056409 PSRDIORYJBUFEJ-UHFFFAOYSA-N 320.440 3.287 10 10 DGCE C[C@H](O)c1ccc(N(C)CC2(Br)CC2)c(F)c1 2020247264 BATGKQYHKGLZOF-VIFPVBQESA-N 302.187 3.243 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNCCn1cc(Cl)cn1 311834109 SJZZOTLVZMMNAQ-UHFFFAOYSA-N 320.607 3.339 10 10 DGCE C[C@H](N)c1ccc(N2CCCN(Cc3ccccc3)CC2)cc1 323573647 XCPXFNHRKDXDBX-KRWDZBQOSA-N 309.457 3.419 10 10 DGCE Cc1ccc(CNCc2ccns2)c(O)c1Br 2307570311 NNUWJBYZWOMGIG-UHFFFAOYSA-N 313.220 3.209 10 10 DGCE CC[C@H]1C[C@@H](N(C)Cc2c(O)cccc2Br)CO1 707165492 FHKWATJHUAHTOA-MNOVXSKESA-N 314.223 3.154 10 10 DGCE C[C@H](N[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1O 903378744 YJPYUWWVWUCLMC-IHRRRGAJSA-N 320.433 3.346 10 10 DGCE COc1cccc(O)c1[C@@H](C)n1nc(C2CCC2)cc1C=O 2070005612 UCVYCGAGBKHILK-LLVKDONJSA-N 300.358 3.287 10 10 DGCE CCc1nn(Cc2ccc(C)cc2O)c(C(F)(F)F)c1O 2078841001 NKHLZJCOEGRMQN-UHFFFAOYSA-N 300.280 3.232 10 10 DGCE CCN[C@]1(C(=O)O)C[C@@H](Sc2nccs2)CC(C)(C)C1 2183528464 JIWGSZUQMCFKMO-IINYFYTJSA-N 314.476 3.247 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)c1snc(Cl)c1Cl 2048318063 SXTDTJFCRDFNFB-YFKPBYRVSA-N 306.178 3.365 10 10 DGCE Cc1cnc(Br)c(CN2CCC[C@H]2CN=[N+]=[N-])c1 2085943596 BDIZFXOMRQVNOU-NSHDSACASA-N 310.199 3.427 10 10 DGCE CNCc1ccc(N(C)Cc2cnc(OC)s2)c(Cl)c1 2239978429 JFGZDQVOLSREMQ-UHFFFAOYSA-N 311.838 3.161 10 10 DGCE C[C@H](N)c1ccc(N(C)CC[C@H]2CCO2)c(Br)c1 2263985156 HWUXBWGIJYVXEI-JQWIXIFHSA-N 313.239 3.084 10 10 DGCE CN(C(=O)/C=C/c1cnccn1)c1cc(Cl)cc(Cl)c1 491826806 BOOBSULPJSJDTI-NSCUHMNNSA-N 308.168 3.460 10 10 DGCE O=C(C=CC1CC1)Nc1cccc2c1C(=O)c1ccccc1C2=O 2330943814 MBJOSNMPTZLPGK-UHFFFAOYSA-N 317.344 3.367 10 10 DGCE C[C@](Sc1nccs1)(C(=O)O)C(F)(F)C(F)(F)F 2326903855 ODVFJYMLKHYFPG-LURJTMIESA-N 307.265 3.276 10 10 DGCE COc1ccc(O)c([C@@H]2CC(c3ccc(Cl)cc3)=NN2)c1 20390628 IEILCKOQVATJSS-HNNXBMFYSA-N 302.761 3.493 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N2CCN3CCC2CC3)cc1 188853780 KFTHTBBXSAAVNQ-UHFFFAOYSA-N 323.440 3.014 10 10 DGCE Nc1ccc(OCCCn2c(=O)ccc3cccc(F)c32)cc1 75282590 YLUXVKCTPTYIDC-UHFFFAOYSA-N 312.344 3.192 10 10 DGCE CN1C(=O)N=C(O)/C(=C/c2ccc(-c3ccccc3F)o2)C1=O 33286774 QGVRLXXDDXKTCA-FLIBITNWSA-N 314.272 3.018 10 10 DGCE COc1ccc(CNC/C=C/CNC(=O)OC(C)(C)C)cc1C 227757706 QDHIQGZTEWSGKV-VOTSOKGWSA-N 320.433 3.174 10 10 DGCE COc1ccc2ccc(O)c(CN3CC[C@@H](C)[C@@H](OC)C3)c2c1 190188577 XICPVVLCPDKUTQ-YJYMSZOUSA-N 315.413 3.411 10 10 DGCE CN(C)c1ccncc1NCc1cc(Br)ccc1O 234283615 BTHBXMFVCWPLHP-UHFFFAOYSA-N 322.206 3.228 10 10 DGCE Nc1ccc(N(C(=O)Nc2ncccn2)c2ccccc2)cc1 240684186 AJKKPINXCDUOHA-UHFFFAOYSA-N 305.341 3.429 10 10 DGCE COc1cccc2c1N(C(=O)/C=C\c1cncc(F)c1)CCC2 255064198 DQCSKGFXANOKSQ-FPLPWBNLSA-N 312.344 3.222 10 10 DGCE C[C@@H]1C[C@@H](N(C)Cc2cc(Cl)c(F)cc2O)CCN1C 295521332 ZZTBNKOZFVPMKJ-PWSUYJOCSA-N 300.805 3.099 10 10 DGCE CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc(F)c[nH]1 292927589 ZYPWOEIPERRTOP-UHFFFAOYSA-N 315.392 3.416 10 10 DGCE COc1ccc(CN[C@@H]2COc3ccc(F)cc3C2)cc1C 808452293 FDNCZNRSIXJGPU-INIZCTEOSA-N 301.361 3.236 10 10 DGCE C[C@H]1C[C@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1O 804913242 IDSZQVKQKWZDJN-YUMQZZPRSA-N 303.189 3.154 10 10 DGCE O=[N+]([O-])c1ccc(O)c(CN[C@H]2Cc3ccc(Cl)cc3C2)c1 800288095 GOUMBIUMWLBDDJ-AWEZNQCLSA-N 318.760 3.211 10 10 DGCE C[C@H]1CCCN(c2ccc(CNC[C@H](O)C3CC3)cc2Cl)C1 819290787 MHXMYVLCGQSGBV-UGSOOPFHSA-N 322.880 3.437 10 10 DGCE Oc1c(Cl)cc(F)cc1[C@@H](N1CCOCC1)C(F)(F)F 575302052 GLGYUQCZRJRAPU-LLVKDONJSA-N 313.678 3.120 10 10 DGCE CN[C@H](C)c1ccc(N2CCS[C@@H](C(F)(F)F)C2)cc1 721391380 UFCNHCKWFINTJX-ZWNOBZJWSA-N 304.381 3.451 10 10 DGCE COc1ccc(N2CC[C@H](CN[C@H]3CC[C@H]3SC)C2)cc1 822494443 OTVJNGIIJLHSQL-XOKHGSTOSA-N 306.475 3.005 10 10 DGCE Cc1ccc([C@@H](C)N[C@@H](CCN(C)C)c2cccnc2)c(O)c1 903379400 GLAKDISMNUEMAK-QAPCUYQASA-N 313.445 3.439 10 10 DGCE C[C@@H](CC(F)(F)F)C(=O)N(C)Cc1ccc(N(C)C)cc1 837320016 BPYOTLOTAJKEPB-NSHDSACASA-N 302.340 3.300 10 10 DGCE CC(C)[C@]1(CO)CCCN(C/C=C/c2ccc(N(C)C)cc2)C1 835055488 KUFCJMFMNXZPHG-ZEZYUPADSA-N 316.489 3.496 10 10 DGCE C[C@H]1CN(C(=O)c2cc(O)cs2)C[C@H](c2ccc(F)cc2)O1 743637683 LYELGQOZFWEHFK-IINYFYTJSA-N 321.373 3.195 10 10 DGCE O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cccc(Cl)c1O 840997718 GPORQYNXXOOKGM-SWHYSGLUSA-N 309.793 3.263 10 10 DGCE C[C@H](N[C@@H]1CNc2ccccc2C1)c1cc(F)cc(F)c1O 844920865 NQVCRIWQRDKKSU-GWCFXTLKSA-N 304.340 3.358 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCC([C@H]3CCCN3)CC2)cc1 843043650 ATECCGBFYCKNLD-BBIZLLLXSA-N 313.489 3.230 10 10 DGCE c1csc(SCCCN[C@H](C2CCC2)[C@@H]2CCOC2)n1 925104392 YLNDYRIKHCBPMX-ZIAGYGMSSA-N 312.504 3.420 10 10 DGCE CCO[C@H](C(=O)N(CC)Cc1ccc(N(C)C)cc1)C(C)C 858827219 XTWQNBLIRRLXCT-KRWDZBQOSA-N 306.450 3.162 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)NC[C@]23CCCC[C@H]2C3)cc1 927431998 VDFBSNGCPPJEDW-BLLLJJGKSA-N 300.362 3.159 10 10 DGCE Cc1nnc(CN(Cc2ccco2)Cc2ccccc2O)s1 773456603 NTANDMDYOPAHHF-UHFFFAOYSA-N 315.398 3.348 10 10 DGCE C[C@H](N)c1ccc(N2CC(OCc3ccccc3)C2)c(F)c1 1958972989 MIJAZRJKBOLVDK-ZDUSSCGKSA-N 300.377 3.251 10 10 DGCE C[C@@H](CN(C)Cc1ccc(N(C)C)cc1)NC(=O)OC(C)(C)C 785438762 IPRPJABADMFQHJ-AWEZNQCLSA-N 321.465 3.098 10 10 DGCE COc1ccc(CNCc2cc(C)cc(OC)c2OC)c(O)c1 894640556 ZPNNZHJIMMVMPY-UHFFFAOYSA-N 317.385 3.016 10 10 DGCE CN(Cc1ccccc1O)C(=O)[C@@H]1CCN(C)[C@@H]1c1ccccc1 895756312 VAQUPLSVBWSVRK-IEBWSBKVSA-N 324.424 3.044 10 10 DGCE CO[C@@H](C)[C@H](C)NCc1ccc(N(C)C)cc1C(F)(F)F 793170203 YWZZYKPWJNGQNO-QWRGUYRKSA-N 304.356 3.284 10 10 DGCE COc1ccc(CNc2ncc(C(F)(F)F)s2)c(O)c1 795289944 NKRXOGGTYKJOIS-UHFFFAOYSA-N 304.293 3.488 10 10 DGCE Oc1c(Br)cccc1CNCC1(C(F)F)CC1 697872773 SLXPASRMLROQPF-UHFFFAOYSA-N 306.150 3.290 10 10 DGCE O=C(NC1(C(F)(F)F)CC1)c1cc2cc(O)c(O)cc2s1 1262174078 GLWIAHSIWMBKTO-UHFFFAOYSA-N 317.288 3.137 10 10 DGCE C[C@H](O)c1ccc(N(Cc2ccccc2)CC(C)(C)O)cc1O 1915365309 VUTZNSPWAXBOLP-AWEZNQCLSA-N 315.413 3.223 10 10 DGCE C[C@H](O)c1ccc(N(Cc2ccccc2)[C@H](C)CCO)cc1O 1915084575 RIDCAMUPXIBLBE-CABCVRRESA-N 315.413 3.223 10 10 DGCE CC/C(C)=C/C(=O)N[C@H](C)[C@@H](C)NCc1ccc(OC)c(C)c1 1275395758 WVRMTNZZHQKILF-ROCUKZSVSA-N 318.461 3.343 10 10 DGCE CN[C@H](C)c1ccc(N(Cc2ccccc2)[C@@H](C)CO)c(F)c1 1914360238 MAYRVGCVMQBHHJ-LSDHHAIUSA-N 316.420 3.494 10 10 DGCE COc1ccc(Br)cc1CN1CC[C@H](N=[N+]=[N-])C1 1912153763 DORPPWFVEOZGMO-NSHDSACASA-N 311.183 3.342 10 10 DGCE COc1cc(N(C)C[C@H]2CCC(C)(C)CO2)cc(OC)c1OC 1459488427 LOQNHNCNWDCLHA-CQSZACIVSA-N 323.433 3.354 10 10 DGCE Cc1ccc(O)c(CNC(=O)Cc2cn(C)c3ccccc23)c1 1470254560 HSYXQILQENNAHT-UHFFFAOYSA-N 308.381 3.051 10 10 DGCE C[C@H](NC(=O)c1cc(F)cc(F)c1O)c1ccc(N(C)C)cc1 1625543055 BEPOTUYRAVSGMV-JTQLQIEISA-N 320.339 3.227 10 10 DGCE O=C(NCc1c(O)cccc1F)N[C@H]1C[C@H]1c1cccc(F)c1 1634725106 NWQRQMZRXCLPKL-WFASDCNBSA-N 318.323 3.026 10 10 DGCE COCc1ccc(C(=O)NCc2cc(Cl)ccc2O)cc1F 1644590516 CTODFJSAJFQDPS-UHFFFAOYSA-N 323.751 3.261 10 10 DGCE CSC[C@@H](C)N(C)c1c(F)cc(CNC2CC2)cc1F 124242045 YHJXQUSNECTIIR-SNVBAGLBSA-N 300.418 3.405 10 10 DGCE CCSC1CN(c2ccc([C@@H](C)N)cc2Br)C1 1948317624 GPSOREJBODNJLU-SECBINFHSA-N 315.280 3.411 10 10 DGCE CC(C)CN(Cc1ccccc1)c1ccc2c(c1)N(C)C(=O)[C@H]2N 1946781758 YINIVQILCWIEQU-IBGZPJMESA-N 323.440 3.325 10 10 DGCE Nc1ccc(OC[C@H](O)CSc2ccc(Cl)cc2)cc1 51328223 SBGUEVCVZVZSKN-ZDUSSCGKSA-N 309.818 3.454 10 10 DGCE CC1(C)[C@@H](NCc2cc(Br)cc(F)c2O)C1(F)F 2036254041 DONXUQNZNYBKTN-SNVBAGLBSA-N 324.140 3.427 10 10 DGCE Cc1ccc(C)c(S(=O)(=O)Nc2ccc(O)cc2Cl)c1 70334347 LYGADJISTLBYAL-UHFFFAOYSA-N 311.790 3.463 10 10 DGCE C[C@H](O)c1ccc(N2CCS[C@@H]3COCC[C@H]32)cc1Cl 2170505222 ODXPPBYUTMAFBB-COLVAYQJSA-N 313.850 3.104 10 10 DGCE CCNCc1ccc(N2CCC(F)CC2)cc1Br 689391241 DWBXFEMMYFZEOP-UHFFFAOYSA-N 315.230 3.497 10 10 DGCE Nc1ncc(F)cc1OCc1cccc(F)c1Br 723404041 KDMXZJYTKCXUSV-UHFFFAOYSA-N 315.117 3.284 10 10 DGCE CC[C@H](c1ccc(C)cc1O)n1nc(C2CCC2)c(N)c1N 2079015204 PWMJRNRDOJQUIV-CYBMUJFWSA-N 300.406 3.328 10 10 DGCE Cc1cc(CN)ccc1N(C)[C@@H]1CS[C@@H](C(F)(F)F)C1 2189455880 YKJVSDZOUTZCED-WCQYABFASA-N 304.381 3.326 10 10 DGCE Cc1cocc1CN(C)c1ccc(CN)cc1Br 2066413190 FJIAVWBQMNZJSF-UHFFFAOYSA-N 309.207 3.446 10 10 DGCE CN(C(=O)c1ccc(O)c(Br)c1)c1ccc(N)cc1 2113227964 GZDZGYJZZGDINX-UHFFFAOYSA-N 321.174 3.014 10 10 DGCE CCc1nsc(Sc2ncc(CNC3CCC3)s2)n1 2231443762 LLKNGWMTKSIPKG-UHFFFAOYSA-N 312.489 3.350 10 10 DGCE COC(=O)c1cnc(SCC2(OC)CCCCC2)s1 2265554757 KTVAZXPHCGIDRW-UHFFFAOYSA-N 301.433 3.371 10 10 DGCE COc1c(C(=O)N2CCC[C@H]2CN=[N+]=[N-])csc1Cl 2268921534 BXAKGWPGLGCYHM-ZETCQYMHSA-N 300.771 3.325 10 10 DGCE Cc1c(/C=C\C(=O)N(CC(F)F)c2ccc(F)cc2)cnn1C 493437981 YYQMJQYOWWUOSF-BAQGIRSFSA-N 323.318 3.179 10 10 DGCE Cc1ccc(CNC(=O)CC(C)C)c(O)c1Br 2307572265 ULVWUOJLLJQQJB-UHFFFAOYSA-N 300.196 3.125 10 10 DGCE C[C@H](N)c1ccc(N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)cc1Br 2308719450 UTWDGEGATVKERC-UDVZWPTNSA-N 307.235 3.313 10 10 DGCE CCN(CCN=[N+]=[N-])CCOc1cccc(Br)c1 2315988914 MGCQZCAEUSZZPH-UHFFFAOYSA-N 313.199 3.460 10 10 DGCE COc1cccc(N=NN2CCN(C(=O)OC(C)(C)C)CC2)c1 2330186366 ZHFLNHMGQGRSKQ-UHFFFAOYSA-N 320.393 3.247 10 10 DGCE Cc1cc(CNCc2ccc(C)c(Br)c2O)no1 2327622515 YPMJYNJKMNRYSI-UHFFFAOYSA-N 311.179 3.049 10 10 DGCE COC[C@H]1CCCN1Cc1ccc(C)c(Br)c1O 2327801880 VTFKDIGHXYSNEV-GFCCVEGCSA-N 314.223 3.074 10 10 DGCE COc1ccccc1-n1c(C)cc(CNC(=O)NC(C)C)c1C 9228904 QKLGALIQDVETHK-UHFFFAOYSA-N 315.417 3.310 10 10 DGCE C[C@H]1[C@H](NCc2cccc(F)c2O)CCN1Cc1ccccc1 309911662 SDFTUSDCOLVHOI-KBXCAEBGSA-N 314.404 3.284 10 10 DGCE CC[C@@H]1CN(c2ccc([C@@H](C)N)cc2Br)CCO1 61695241 FDBADKGHPBHIBJ-ZYHUDNBSSA-N 313.239 3.084 10 10 DGCE CC[C@@H]1CO[C@H](C)CN1c1ccc(CN)c(C(F)(F)F)c1 36794456 OTZKBKKPSFJYPW-ZYHUDNBSSA-N 302.340 3.168 10 10 DGCE CCc1cnccc1C(=O)NCc1ccc(N(CC)CC)cc1 182515715 DORRLZKVSFLACP-UHFFFAOYSA-N 311.429 3.420 10 10 DGCE CCCN(Cc1cc([N+](=O)[O-])ccc1O)c1ccc(CN)cc1 194977869 PGABMOZPRRZWRJ-UHFFFAOYSA-N 315.373 3.176 10 10 DGCE CC[C@H](NCc1cc(Br)ccc1O)c1ncc[nH]1 234025098 HJXYRWMUPOCTRZ-NSHDSACASA-N 310.195 3.119 10 10 DGCE C[C@@H](NC1CC(N2CCCCC2)C1)c1ccc(N(C)C)cc1 366427892 DBXSVSPEXFISRG-LSJNQWAISA-N 301.478 3.420 10 10 DGCE CN[C@@H](c1ccc2c(c1)CCCN2C)c1ncc(Cl)s1 2164077044 AHWHSYBSKGITKN-AWEZNQCLSA-N 307.850 3.488 10 10 DGCE O=C(CCc1ccccc1O)NCc1ccc(N2CCCC2)cc1 298404457 OLZZDQATZRRFSJ-UHFFFAOYSA-N 324.424 3.241 10 10 DGCE CCOCc1cc(CN[C@@H]2CCO[C@H](CC)C2)ccc1OC 817413969 AXOIHBMTKGVYRG-IAGOWNOFSA-N 307.434 3.279 10 10 DGCE CC[C@H](COCC1CC1)NCc1cc(Cl)cc(OC)c1O 826867920 NFSWFBCTJGEBPZ-CQSZACIVSA-N 313.825 3.349 10 10 DGCE CCN(CC)c1ccc(CNC(=O)NC2C[C@@H]3C[C@H]3C2)cc1F 823006223 CWNBXKJTNVAWLX-KBPBESRZSA-N 319.424 3.270 10 10 DGCE CN(Cc1ccccc1O)C(=O)NCC(F)(F)C(C)(C)C 823834444 DWNISZHRHIHGRY-UHFFFAOYSA-N 300.349 3.215 10 10 DGCE CCC(C)(C)[C@@H](NC/C=C\c1ccc(N(C)C)cc1)C(=O)O 904021198 QPFCTMGLVYUCDI-PTZVLDCSSA-N 304.434 3.245 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCc3ccccc3[C@H]2CO)cc1 835029831 SXJHTZKMTOTFSC-QEVIJRNUSA-N 322.452 3.358 10 10 DGCE COc1ccc(N(C[C@@H]2CN(C3CC3)C(=O)O2)C(C)C)cc1F 844306204 GXPDSSKTRHBUDS-CQSZACIVSA-N 322.380 3.032 10 10 DGCE O=C(/C=C\C1CC1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 754551084 KAUPROUPZNQLIY-YFHOEESVSA-N 317.344 3.367 10 10 DGCE Cc1ccc(O)c(CNC(=O)NCC[C@H]2CC2(Cl)Cl)c1 858629731 XRSULWSAYGCYRY-NSHDSACASA-N 317.216 3.084 10 10 DGCE COC[C@H](CCN[C@H](C)c1ccc2ccccc2c1O)OC 850485192 CLFACKOGAOQMRM-HIFRSBDPSA-N 303.402 3.248 10 10 DGCE C[C@H](NC(=O)NC1CCN(C(C)(C)C)CC1)c1ccccc1O 868124267 SAJTUHOFDNKDFN-ZDUSSCGKSA-N 319.449 3.015 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)[C@@H](C)c1cncnc1 863913661 XUWMKEAVKLGBDU-AWEZNQCLSA-N 313.401 3.115 10 10 DGCE CC(C)C[C@@H]1C[C@@H](NC(=O)N[C@@H](C)c2ccccc2O)CCO1 868479850 LKCUIUHFTXQGDW-SOUVJXGZSA-N 320.433 3.346 10 10 DGCE COc1cc(Cl)cc(CN2CCC[C@@H]3COCC[C@@H]32)c1O 761203200 KWYNMPPILHLFIQ-RISCZKNCSA-N 311.809 3.055 10 10 DGCE O=C(NC[C@@]12CCC[C@@H]1C2)c1cc2cc(O)c(O)cc2s1 885991853 WBYXWMOIFVSARN-HWPZZCPQSA-N 303.383 3.233 10 10 DGCE Cc1cnc(Cl)cc1C(=O)NCc1ccc(N(C)C)c(F)c1 1125534370 HWOGXESYHSBCDQ-UHFFFAOYSA-N 321.783 3.179 10 10 DGCE Cc1cc(O)c(CNc2ccc3ccc(=O)n(C)c3c2)cc1C 785537360 QWOUNSWQZWNIPF-UHFFFAOYSA-N 308.381 3.473 10 10 DGCE C[C@H](NC1[C@H]2CN(Cc3ccccc3)C[C@H]12)c1ccccc1O 398466773 VDNVNFPPOWZRFI-WBAXXEDZSA-N 308.425 3.173 10 10 DGCE c1cc(-n2cc(NCc3ccc(N4CCCC4)cc3)cn2)ccn1 1200057743 NGTRXAROWVQHPT-UHFFFAOYSA-N 319.412 3.480 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2[nH]ccc2s1 793795491 DZIDPDGQULIHRM-VIFPVBQESA-N 316.382 3.002 10 10 DGCE COc1ccc(O)c(CNC(=O)NCC2(C)CCC(C)CC2)c1 793017759 SXSWMYFCMMDLLI-UHFFFAOYSA-N 320.433 3.416 10 10 DGCE O=C(N[C@H]1C[C@H](c2cccc(Cl)c2)C1)c1cccc(O)c1O 798024693 YZAHKMWKOAGHTM-AULYBMBSSA-N 317.772 3.427 10 10 DGCE CN(Cc1cccc2c1OC(F)(F)O2)c1ccc2c(c1)OCO2 1168214691 HNTSDWGHACLBOV-UHFFFAOYSA-N 321.279 3.373 10 10 DGCE C[C@H](NC(=O)c1ccnc(C(F)(F)F)c1)c1ccccc1O 1171731173 ZOGIVZMKPBLONY-VIFPVBQESA-N 310.275 3.297 10 10 DGCE Cn1cnc(/C=C\C(=O)N2CCCc3c(Cl)ccc(F)c32)c1 1359922156 JSNJVGPFGOCZMG-DAXSKMNVSA-N 319.767 3.205 10 10 DGCE [N-]=[N+]=N[C@H]1CCN(CCOc2cccc(Br)c2)C1 1912170560 YRPGCLGDKRTZLB-NSHDSACASA-N 311.183 3.213 10 10 DGCE C[C@@H](CCO)N(Cc1ccccc1)c1ccc(CN)c(F)c1 1915382818 AKYRYYJAQUPRBX-AWEZNQCLSA-N 302.393 3.062 10 10 DGCE O=C(NCc1ccc(O)cc1O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 1299575363 ZFPVULWKXFYQTL-LSDHHAIUSA-N 317.772 3.171 10 10 DGCE CN[C@@H](C)c1ccc(N2CC(F)(F)C2)c(Br)c1 1916991466 LQZSNLFBDCIRBO-QMMMGPOBSA-N 305.166 3.185 10 10 DGCE C[C@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)c1ccncc1 1540488078 COQZNYIWMKWEEQ-INIZCTEOSA-N 323.440 3.444 10 10 DGCE CC/C(C)=C/C(=O)NC[C@@H](CC)NCc1ccc(OC)c(C)c1 1715055377 GNZZULAUCGTKBO-IDKBZEPQSA-N 318.461 3.344 10 10 DGCE C[C@H](Oc1ccccc1)C(=O)NCc1cccc(Cl)c1O 1637226980 HWZQZWAEQWAETK-NSHDSACASA-N 305.761 3.129 10 10 DGCE CCN[C@@H](c1ccccc1O)[C@H](CC)NC(=O)OC(C)(C)C 1928471589 VVNNBYNBRVEHBQ-ZFWWWQNUSA-N 308.422 3.346 10 10 DGCE C[C@@H](CCCNC(=O)OC(C)(C)C)[C@H](N)c1ccccc1O 1928466776 FUZZOFXSPHJYOQ-WFASDCNBSA-N 308.422 3.333 10 10 DGCE COCC[C@H](C)CNC(=O)c1ccc(-n2c(C)ccc2C)cc1 1585074137 JTXZLIHKQDNXMB-AWEZNQCLSA-N 314.429 3.497 10 10 DGCE CN(C[C@@H]1CCCCN1CCCN=[N+]=[N-])C(=O)OC(C)(C)C 1962287642 LIIPHGLCSUASCH-ZDUSSCGKSA-N 311.430 3.408 10 10 DGCE CC[C@H]1CO[C@@H](C)CN1c1ccc(CN)cc1C(F)(F)F 163688435 OXXILLRFZVDSFT-JQWIXIFHSA-N 302.340 3.168 10 10 DGCE CCN(CCc1nccs1)Cc1cc(F)cc(C(C)=O)c1O 159419816 GAMCCZLPEPVPNN-UHFFFAOYSA-N 322.405 3.255 10 10 DGCE CCCS(=O)(=O)N1CCn2c3c(c4ccccc42)CCC[C@@H]31 1858183377 ATDMSXVHWUAPCJ-INIZCTEOSA-N 318.442 3.074 10 10 DGCE O=C1/C(=C\c2ccc([N+](=O)[O-])s2)SC(=S)N1C1CC1 1858591737 XWTYCCVPJZVGPT-VMPITWQZSA-N 312.397 3.020 10 10 DGCE CCN(CC)c1ccc([C@@H](N)[C@@H](C)NC(=O)OC(C)(C)C)cc1 1977940826 GVWVKTAVOAXDHD-CJNGLKHVSA-N 321.465 3.446 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CN(c2ccc(N)cc2)CC12CCC2 1977977422 BPULCKBGLRZLJW-HNNXBMFYSA-N 317.433 3.152 10 10 DGCE C[C@H](NC[C@@H]1C[C@H]1NC(=O)OC(C)(C)C)c1cc(F)ccc1O 1978009153 OTYUOXGFWZZVHQ-COPLHBTASA-N 324.396 3.095 10 10 DGCE CC[C@H]1[C@H](NCc2cccc(C)c2O)CN1C(=O)OC(C)(C)C 1994452184 XCVRZAFQMKUMOG-CABCVRRESA-N 320.433 3.188 10 10 DGCE Oc1c(F)cc(Br)cc1CNC[C@@H]1CC1(F)F 715738349 RVGPHJPKFJNXKK-ZETCQYMHSA-N 310.113 3.039 10 10 DGCE COc1cccc(O)c1[C@@H](C)n1nc(CC(C)C)cc1C(=O)O 2069892850 UXTLTWPRJUQJEC-LLVKDONJSA-N 318.373 3.103 10 10 DGCE CN(c1ccc(CN)cc1F)[C@H]1CS[C@H](C(F)(F)F)C1 2189455058 SMOLOXPRUFZWKT-SKDRFNHKSA-N 308.344 3.157 10 10 DGCE C[C@@H](NCc1nc(Br)cs1)c1ccccc1O 1665467200 YBMSHCJIPUXHKM-MRVPVSSYSA-N 313.220 3.462 10 10 DGCE CN(C[C@@H]1CC12CC2)c1cc(Br)c(CN)cc1F 2047199370 VLRUOZFBVIJFRN-JTQLQIEISA-N 313.214 3.283 10 10 DGCE CNCc1ccc(N2C[C@@H]3CC=CC[C@H]32)c(Br)c1 2057018877 KBSQAERVEAGSNI-GXTWGEPZSA-N 307.235 3.323 10 10 DGCE NCc1ccc(N2CC[C@H]3CC[C@H]3C2)c(F)c1Br 2068257292 TXPHENXGIRXXLE-KOLCDFICSA-N 313.214 3.283 10 10 DGCE COc1cccc(O)c1CNc1cnc(Br)c(C)c1 2104443463 ZSISHHXCPVIXRK-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE C[C@@H](CCNCc1c(O)cccc1Br)OC(F)F 2261309703 SIXUPPMSOKCQRF-QMMMGPOBSA-N 324.165 3.262 10 10 DGCE CCC(CC)C1=NN2C(=N)C(=Cc3ccco3)C(=O)N=C2S1 2296400194 CDHQJKOFBGKDBS-UHFFFAOYSA-N 316.386 3.335 10 10 DGCE CCNCc1ccc(N(C)Cc2nc(C)ns2)c(Cl)c1 2288843971 ZIDPKKOOORXDMH-UHFFFAOYSA-N 310.854 3.246 10 10 DGCE Cc1nc(Cl)ccc1NC(=O)C=Cc1ccc(O)c(O)c1 2312371362 DRWYCFHKTZIHRL-UHFFFAOYSA-N 304.733 3.107 10 10 DGCE Oc1cccc(Br)c1CN1C[C@@H]2C[C@H]1C(F)(F)C2 2308475903 TULNMVPYAMSIGP-PELKAZGASA-N 318.161 3.384 10 10 DGCE CCN(CCN=[N+]=[N-])C[C@H](O)c1ccc(Br)cc1 2315993053 WABDEYLSNQCNTR-LBPRGKRZSA-N 313.199 3.115 10 10 DGCE Cc1ccc(CN[C@H](C)[C@H]2CCCO2)c(O)c1Br 2327620171 AHMFSQUIJNBMKK-ZYHUDNBSSA-N 314.223 3.120 10 10 DGCE Cc1ccc(CN2C(=O)[C@H]3CCC[C@@]32C)c(O)c1Br 2352659677 BCJZEOCPVMCNMB-ABAIWWIYSA-N 324.218 3.364 10 10 DGCE COC(=O)Cc1nc2ccccn2c1/N=N\c1cccc(O)c1 103990673 UJMMRGJJIIXXPW-HNENSFHCSA-N 310.313 3.171 10 10 DGCE CC1=NN(c2ccccc2)C(=O)/C1=C/NCCc1ccccc1 100551628 AQRUBAPSSKSDKQ-NBVRZTHBSA-N 305.381 3.125 10 10 DGCE Cc1ccc(C(=O)N2CC=C(c3cccs3)CC2)c(O)c1O 179506512 OCHRZXFMTBYHCM-UHFFFAOYSA-N 315.394 3.397 10 10 DGCE C[C@H](c1ccccc1O)N(C)C(=O)c1c(N)cccc1Cl 111010994 PIDQWJMRLCXKBM-SNVBAGLBSA-N 304.777 3.461 10 10 DGCE Oc1ccsc1-c1nc([C@@H]2COc3ccccc3C2)no1 115851019 LSTUULLQCJVAIJ-JTQLQIEISA-N 300.339 3.222 10 10 DGCE C[C@H](N)c1cc(OC(F)(F)F)cc(Br)c1O 309214348 UPKWMWARKUGTRH-BYPYZUCNSA-N 300.074 3.073 10 10 DGCE CC[C@H](CSC)N(C)c1ccc(CNCCOC)c(C)c1 124233364 SPIGEZFOTJACOE-MRXNPFEDSA-N 310.507 3.309 10 10 DGCE CN[C@H](C)c1ccc(N2CC[C@H](N3CCCC3)C2)cc1Cl 78928005 WWNZRHMRHALRID-HIFRSBDPSA-N 307.869 3.295 10 10 DGCE CCCOc1ccc(CN(C)[C@@H](C)c2cnn(C)c2)c(O)c1 180978628 PDHFLWMVQNSLDR-ZDUSSCGKSA-N 303.406 3.108 10 10 DGCE C[C@@H](N[C@H](C)c1nnc2n1CCCCC2)c1cc(F)ccc1O 321488823 DPZRPKUYLBOSFK-VXGBXAGGSA-N 318.396 3.261 10 10 DGCE CC[C@@H](NC1CCN(C(=O)C(C)C)CC1)c1ccccc1O 192841084 QJRBQYGFTKSJEO-MRXNPFEDSA-N 304.434 3.080 10 10 DGCE O=C(O)c1cnc(Sc2nccs2)c(Br)c1 380822259 MMEJGEQBNGQBIY-UHFFFAOYSA-N 317.189 3.150 10 10 DGCE CC(C)NCc1cc(F)c(N2CCS[C@H](C)C2)c(F)c1 137243958 WJPNPAYVPZFWFV-LLVKDONJSA-N 300.418 3.405 10 10 DGCE CNCc1ccc(N2CCSC[C@@H]2C)cc1Br 234370928 WYPBAJJCQSVVCH-JTQLQIEISA-N 315.280 3.110 10 10 DGCE O=[N+]([O-])c1cc(NC(=S)NCc2ccccn2)ccc1Cl 243136089 JLARGUVEKLYXTR-UHFFFAOYSA-N 322.777 3.130 10 10 DGCE CCN(C)c1ccc([C@@H](C)N[C@H]2CCN(c3ccccn3)C2)cc1 246314683 DZCABWOLSWSRAI-AEFFLSMTSA-N 324.472 3.467 10 10 DGCE Cc1ccc(O)c([C@@H](C)NC[C@H]2c3ccccc3C(=O)N2C)c1 527998700 AAFXYGBTZSQAHL-DYVFJYSZSA-N 310.397 3.178 10 10 DGCE Cc1ccc(C2=N/C(=C/c3ccc(N(C)C)cc3)C(=O)N2)cc1C 253444060 WLKBVZZAMVEODF-LDADJPATSA-N 319.408 3.287 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)[C@H]2C[C@@H]2C(F)F)cc1 800807730 DIKGVYRKTZGRGQ-GJZGRUSLSA-N 310.388 3.392 10 10 DGCE CC[C@@H](C)CC(=O)NCc1cc(Br)ccc1O 804738319 LVKIREZOMCFKRF-SECBINFHSA-N 300.196 3.207 10 10 DGCE Oc1cc(F)c(Cl)cc1CNCc1noc2c1CCCC2 294053146 XFSSKQCKHGLEDZ-UHFFFAOYSA-N 310.756 3.341 10 10 DGCE Nc1ccc(CCN(CC(F)(F)F)CC(F)(F)F)cc1 719419686 RXPFWPSTTHIMRD-UHFFFAOYSA-N 300.246 3.238 10 10 DGCE Oc1c(F)cc(Cl)cc1CNC[C@]12OCCC[C@H]1C2(F)F 827243978 QAJSEHSJLLBCSC-YPMHNXCESA-N 321.726 3.089 10 10 DGCE CC(C)(CONC(=O)OC(C)(C)C)COc1ccc(N)cc1 1952976415 PGLYPGJBQCBZGK-UHFFFAOYSA-N 310.394 3.130 10 10 DGCE Cc1ccccc1-n1c(C)cc(C(=O)N(C)Cc2cc[nH]n2)c1C 732660904 ZQEAHEMHAJGUQT-UHFFFAOYSA-N 322.412 3.398 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1C[C@@H]1C(C)C 839919694 JHJAEIZMZJOFDY-BMGDILEWSA-N 302.462 3.400 10 10 DGCE C[C@@H](N[C@H]1C[C@H](OC(C)(C)C)C1)c1cc([N+](=O)[O-])ccc1O 848565321 JCZSXNZVJRFTMB-NQBHXWOUSA-N 308.378 3.297 10 10 DGCE COc1cc(Cl)cc(CN2CCCC[C@H]2[C@H]2CCNC2)c1O 841086225 GCUMAVLJSYCPOA-WFASDCNBSA-N 324.852 3.018 10 10 DGCE Cc1cc(Cl)cc(CNC[C@@H](CO)c2ccc(F)cc2)c1O 840964696 ZPLIMLPTZDSKLG-AWEZNQCLSA-N 323.795 3.359 10 10 DGCE COc1cccc([C@@H](C)NC2CC(N3CCCCC3)C2)c1O 846168251 RNMBHDYGFCQUBJ-WLYUNCDWSA-N 304.434 3.068 10 10 DGCE COc1ccc(O)c([C@H](C)NCc2cnc(Cl)c(F)c2)c1 846844782 OVGCFEFUOOGNGF-VIFPVBQESA-N 310.756 3.439 10 10 DGCE COc1ccc2c(CC(=O)NCc3ccccc3O)coc2c1 748354208 HAWCADYLQIMMMS-UHFFFAOYSA-N 311.337 3.006 10 10 DGCE CC1=C[C@H](C)CN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])C1 844218854 RZKCGJPJBJNCFX-QZPNVGJNSA-N 302.330 3.095 10 10 DGCE Cc1cc(CCN[C@H](C)c2cc3c(cc2O)CCCC3)nn1C 926910144 JPLXQCPAYIEBNM-CQSZACIVSA-N 313.445 3.206 10 10 DGCE C[C@H](NCC[C@H](N(C)C)C(F)(F)F)c1cc(F)ccc1O 926962123 KBTWZBKQNRCCMO-ZANVPECISA-N 308.319 3.065 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCC[C@@H](C)C3)C2)cc1 855230688 HXMLKHUMAJLPFP-OAGGEKHMSA-N 316.445 3.216 10 10 DGCE CC(C)Oc1ccc(N(C)CCNC(=O)OC(C)(C)C)cc1 759933693 ONEQDQBPHWZNMJ-UHFFFAOYSA-N 308.422 3.435 10 10 DGCE CC[C@@H](NC[C@H]1CCC2(CCOCC2)O1)c1ccc(C)cc1O 927017068 VQGHJCUBEKIFAK-NVXWUHKLSA-N 319.445 3.470 10 10 DGCE Cc1ccc([C@@H]2CCN(C(=O)/C=C\c3ccc(O)c(O)c3)C2)cc1 753199795 QHWOWZKXSOXTSQ-VWTAQGJOSA-N 323.392 3.436 10 10 DGCE Cc1cc(S(=O)(=O)N[C@H](C)c2ccccc2O)c(C)s1 867834612 RVQUEBJMPWFRJP-SNVBAGLBSA-N 311.428 3.110 10 10 DGCE CCO[C@H](C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)C(C)C 862002518 UBBTUSGNHNIJKA-YJBOKZPZSA-N 320.477 3.169 10 10 DGCE Cc1noc(C)c1CCCNCc1cc(F)c(N(C)C)cc1F 1118801120 MKNXVVPGGMABMP-UHFFFAOYSA-N 323.387 3.358 10 10 DGCE Cc1cc2c(cc1C)[C@@H](C(=O)N1Cc3cccc(O)c3C1)CO2 871204408 HZPGODYRRFKGPW-INIZCTEOSA-N 309.365 3.027 10 10 DGCE CC[C@@H](Oc1ccccc1F)C(=O)N1Cc2cccc(O)c2C1 871202877 HTEUSWIKXLTUSL-MRXNPFEDSA-N 315.344 3.231 10 10 DGCE CCOC(=O)CC1(NCc2cc(C)c(C)cc2O)CCCC1 789778912 MJEQLSJGOJCNLF-UHFFFAOYSA-N 305.418 3.365 10 10 DGCE CC(C)(C)OC(=O)NC[C@H](Nc1c(N)cccc1F)C1CC1 1959373857 OFIFSNIFXWDXAS-ZDUSSCGKSA-N 309.385 3.123 10 10 DGCE C[C@@H]1[C@@H](C(=O)NCc2ccc(N(C)C)cc2)[C@@H]1c1ccccc1 797422892 ZXMWTHUVPLTXBR-ZOCIIQOWSA-N 308.425 3.419 10 10 DGCE C[C@@]12CN(Cc3ccccc3)C[C@H]1CN(c1ccc(N)cc1)C2 702060324 XOEKPDZQFXYZKE-PXNSSMCTSA-N 307.441 3.227 10 10 DGCE C[C@H](NC1CC(OCc2ccccc2)C1)c1cc(O)ccc1O 716297167 OSMKRZVZQVQHJD-KTAKPFMOSA-N 313.397 3.496 10 10 DGCE C/C(=C/C(=O)NCc1cc(O)ccc1O)c1cccc(Cl)c1 1303225426 HUEZLHJURORMTO-XFFZJAGNSA-N 317.772 3.471 10 10 DGCE COc1ccc(CNC(=O)NC[C@H]2CCC=CCCC2)c(O)c1 1251539508 IKZPHBAGFCEANH-AWEZNQCLSA-N 318.417 3.337 10 10 DGCE Cc1ccnn1-c1ccc(C(=O)N[C@@H](C)c2ccccc2O)cc1 1454812879 DDHCJIYBCANTQC-AWEZNQCLSA-N 321.380 3.377 10 10 DGCE C[C@H](NC(=O)COc1ccc(F)cc1Cl)c1ccccc1O 1454802479 AADUYVHPVPQVCA-JTQLQIEISA-N 323.751 3.441 10 10 DGCE COc1ccc2c(c1)C[C@H](C(C)C)CN2CCc1ccnn1C 1473570290 QVFLLZDMZOTJCH-INIZCTEOSA-N 313.445 3.306 10 10 DGCE O=C([C@H]1CCC=CO1)N(Cc1ccco1)Cc1ccccc1O 1545496440 LTTCPJMYSVIPAK-QGZVFWFLSA-N 313.353 3.207 10 10 DGCE CCC1(CC)CCCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1625256603 DOCSRUHYDRNABJ-UHFFFAOYSA-N 305.418 3.459 10 10 DGCE CN[C@@H](CC1(NC(=O)OC(C)(C)C)CC1)c1ccccc1O 1928468124 SOPIBAVPUBDFSJ-ZDUSSCGKSA-N 306.406 3.100 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1ccc(F)c(C=O)c1 1635662895 HBMWWAJFJIYQFF-UHFFFAOYSA-N 315.344 3.396 10 10 DGCE Cc1ccc(CC(=O)NCc2ccc3cccnc3c2O)s1 1643283248 MZIGHNKOLFAWQK-UHFFFAOYSA-N 312.394 3.169 10 10 DGCE COc1ccc(N(C)CC(=O)NCc2ccc(Cl)cc2)cc1 1654957649 LYKUIYATTOAWMR-UHFFFAOYSA-N 318.804 3.101 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)Nc2ccc(F)cc2F)cc1 1587009391 WQPVCKXKTLFFIR-UHFFFAOYSA-N 304.256 3.380 10 10 DGCE CC(=O)c1cc(F)cc(CN[C@@H]2CCOCC23CCCC3)c1O 1656545400 ROBZEVIFGWNRKG-MRXNPFEDSA-N 321.392 3.173 10 10 DGCE COc1ccc(CN[C@H](C)[C@H](C)NC(=O)CCC2CC2)cc1C 1674647264 NUFZRQOITSVFKK-CABCVRRESA-N 318.461 3.177 10 10 DGCE CN1C=CC=C/C1=C1/SC(=S)N(C2CCCCC2)C1=O 13601053 JZWDBAFLFRXWBE-SEYXRHQNSA-N 306.456 3.406 10 10 DGCE CN[C@H](c1ccccc1O)[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1937868638 IWLKIBWANAQZQN-APHBMKBZSA-N 320.433 3.298 10 10 DGCE CC[C@H](C)C[C@@](CO)(CSc1nccs1)NC1CC1 2142625572 YYQQIYDNGOWYFW-SMDDNHRTSA-N 300.493 3.155 10 10 DGCE C[C@@H](O)c1ccc(N2CC[C@](C)(F)C2)c(Br)c1 1946967012 CWABJTBCDSVDDH-RNCFNFMXSA-N 302.187 3.441 10 10 DGCE CC(C)(C)OC(=O)Nc1cccc(C(=O)NCCN=[N+]=[N-])c1F 1963816219 FNGCGBHUYHHNAK-UHFFFAOYSA-N 323.328 3.213 10 10 DGCE Oc1cccc(Br)c1CNCc1cnc(C2CC2)o1 1967853734 YUTQJWKUEJHPJP-UHFFFAOYSA-N 323.190 3.310 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@]2([C@H](N)c3ccccc3O)C[C@H]2C1 1977094016 SMLKTYWMAYLHGL-PNPHSEOMSA-N 318.417 3.039 10 10 DGCE [N-]=[N+]=NCC1CCN(Cc2cnsc2Br)CC1 2006969632 NBJQDRMGVVXQOH-UHFFFAOYSA-N 316.228 3.428 10 10 DGCE CN(CCCC(F)F)c1ccc(CO)c(Br)c1 2001740811 BTVRTQDYWOAUSA-UHFFFAOYSA-N 308.166 3.423 10 10 DGCE CN1CCc2cc([C@H](O)C(=O)c3csc(Cl)c3)ccc21 2154426750 XVNXJASILUPNMR-AWEZNQCLSA-N 307.802 3.310 10 10 DGCE NCc1cc(F)c(N2CCC[C@H]3CC[C@@H]32)cc1Br 2034337989 BLSLJUNJFWJQLM-ZANVPECISA-N 313.214 3.426 10 10 DGCE CC[C@@H]1CCOC[C@@H]1NCc1cc(Br)ccc1O 2035128791 GPWPTGPHNUXDQY-MFKMUULPSA-N 314.223 3.059 10 10 DGCE NCc1ccc(N2CCCC(F)(F)C2)c(F)c1Br 405185506 NDHGLCZPWRQGQM-UHFFFAOYSA-N 323.156 3.282 10 10 DGCE Cc1cc(NS(=O)(=O)c2c(C)csc2C)c(C)cc1O 725068206 SNEKJIYMZIHADM-UHFFFAOYSA-N 311.428 3.488 10 10 DGCE COc1cnn([C@@H](C)c2ccc(F)cc2O)c1Br 2070289563 QJAPILDYXBRIPF-ZETCQYMHSA-N 315.142 3.108 10 10 DGCE CCOC[C@@H]1CCCN(c2cc(Cl)c(CN)cc2F)C1 2177377057 KGTZSDKHLOPRAJ-LLVKDONJSA-N 300.805 3.191 10 10 DGCE Oc1c(F)cc(Br)cc1CNC[C@@H]1C[C@@H]2C[C@@H]2C1 2045610803 CVGMXFMUCXWYOD-OWUUHHOZSA-N 314.198 3.430 10 10 DGCE CN(C(=O)c1cc(N)c(Cl)c(Cl)c1)c1ccc(N)cc1 2191713389 CHECAIVWBJDZPX-UHFFFAOYSA-N 310.184 3.434 10 10 DGCE Cc1ccc(O)c(CNCc2nn(C)c(Cl)c2Cl)c1 2094368500 UWOMUECGLRXKTF-UHFFFAOYSA-N 300.189 3.031 10 10 DGCE CN(C[C@@H](O)c1ccccc1Br)c1ccc(N)cc1 2113398018 VWTUFCPUXKOMKY-OAHLLOKOSA-N 321.218 3.201 10 10 DGCE CC=C[C@H](C)NCc1c(Br)ccc(OC)c1O 2214882153 BIYUYHFJRKKOQY-VIFPVBQESA-N 300.196 3.218 10 10 DGCE CC(F)(F)c1cnc(Sc2ccnc(C(=O)O)c2)s1 2264505931 CXYQYIBUUKOQDO-UHFFFAOYSA-N 302.327 3.499 10 10 DGCE CC(=C1SC(N2CCOCC2)=NC1=O)c1ccc(Cl)cc1 2294407182 QOOPSMQEDCXXCO-UHFFFAOYSA-N 322.817 3.033 10 10 DGCE CN(CC1(c2ccccc2)CC1)C(=O)C=Cc1ccc(O)c(O)c1 2310568170 VAPAESFKWJXHCL-UHFFFAOYSA-N 323.392 3.301 10 10 DGCE Cc1ccc(CN2C(=O)C[C@H](C)[C@@H]2C)c(O)c1Br 2327802160 XQJJAIIIZLTXPA-UWVGGRQHSA-N 312.207 3.220 10 10 DGCE C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(N)cc1 51018226 OHOAGPIYJVQDTJ-NSHDSACASA-N 304.777 3.006 10 10 DGCE CCNC[C@@H]1CCCN(Cc2ccc(N(CC)CC)cc2)C1 66057144 MGLLHKLHKUWZNX-SFHVURJKSA-N 303.494 3.354 10 10 DGCE CC[C@@](C)(CCO)NC(=O)c1cc(C)n(-c2ccccc2)c1C 182761818 UMMPNSZAVNYIOF-IBGZPJMESA-N 314.429 3.375 10 10 DGCE Nc1ccc(OCCC(=O)NCc2ccccc2Cl)cc1 40297100 IGIMQYIKWJBJNP-UHFFFAOYSA-N 304.777 3.008 10 10 DGCE CC[C@H](c1cc(Br)ccc1O)N1CCC[C@H]1CN 252682405 BXNIIPLYTYLNRQ-WCQYABFASA-N 313.239 3.029 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)c1cnc(Cl)c(F)c1 803189897 PPJZWPVHSWHPHR-UHFFFAOYSA-N 321.783 3.179 10 10 DGCE CCN[C@H](C)c1ccc(N(C)Cc2cnsn2)c(Cl)c1 2167126945 ZEFHUDOFRCHXCN-SNVBAGLBSA-N 310.854 3.498 10 10 DGCE CCCN(Cc1ccccc1O)Cc1nn(C)c(C)c1Cl 817406370 METDANABBFYROT-UHFFFAOYSA-N 307.825 3.500 10 10 DGCE Oc1cc(F)c(Cl)cc1CN[C@H]1C[C@@H](O)c2ccccc21 827172343 RIAMONHTGZNRPA-GOEBONIOSA-N 307.752 3.453 10 10 DGCE Cc1ccc([C@@H](C)NC(=S)Nc2ccc3c(c2)OCO3)o1 734751996 APAXPUWNFCWKJH-SNVBAGLBSA-N 304.371 3.364 10 10 DGCE C[C@@H](F)CCNC(=O)NCc1cc(Cl)cc(Cl)c1O 836480382 GUQPLMZXUMIHTR-SSDOTTSWSA-N 309.168 3.246 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1C[C@H]1C(C)C 839919697 JHJAEIZMZJOFDY-WBAXXEDZSA-N 302.462 3.400 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]2CCN(CCCCN=[N+]=[N-])C[C@@H]21 1895302302 WIOVZLGRRBKBLS-KBPBESRZSA-N 323.441 3.408 10 10 DGCE Cc1cc(CN2CC[C@@](O)(C(F)F)C2)ccc1N1CCCCC1 831181793 XMMNYNRXITVVKZ-SFHVURJKSA-N 324.415 3.187 10 10 DGCE C[C@@H](NCC[C@H](N(C)C)C(F)(F)F)c1ccc(F)cc1O 926966479 ZXYQHCJTUFVALL-RNCFNFMXSA-N 308.319 3.065 10 10 DGCE C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CC1(N)CC1 852882668 NUGCGVWOEWIPGA-OAHLLOKOSA-N 324.424 3.363 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 854949830 XKQFOKPLBZONHJ-SIXLDLHFSA-N 300.446 3.154 10 10 DGCE C[C@@H](CNCc1cc(Br)ccc1O)C(F)(F)F 697715001 AJUKCJZCQWQFAN-ZETCQYMHSA-N 312.129 3.443 10 10 DGCE Oc1ccc(Cl)c(F)c1CN[C@@H]1C[C@H](O)c2ccccc21 850373177 DHGBBTYOSHMBKS-HIFRSBDPSA-N 307.752 3.453 10 10 DGCE COC(=O)c1ccc(O)c([C@@H](C)N[C@H](C)c2ccns2)c1 858577051 OIRPFNXGDPJSKS-NXEZZACHSA-N 306.387 3.047 10 10 DGCE O=[S@]1[C@H]2CC[C@H]1CN(Cc1ccc3ccccc3c1O)CC2 862527979 UJOVWMCMQWSHAH-WCJKSRRJSA-N 315.438 3.031 10 10 DGCE CCN1CC[C@H](N(C)Cc2cc(Cl)cc(F)c2O)[C@@H](C)C1 775717913 VFJASADHGZFLGW-NHYWBVRUSA-N 314.832 3.347 10 10 DGCE O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@@H]1C1CC1 896148185 AKKWKFMKJJZUFC-LLVKDONJSA-N 303.383 3.327 10 10 DGCE COc1cc(C)cc(CN[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]32)c1O 895344913 SLCDMMDXUYHRDH-RYQLBKOJSA-N 313.372 3.276 10 10 DGCE C[C@@H](CN(C)C(=O)OC(C)(C)C)N[C@@H](C)c1c(O)cccc1O 701923868 JYCWGUIVNGUCST-RYUDHWBXSA-N 324.421 3.004 10 10 DGCE CC1(C)CC[C@@H](CNCc2c(O)cccc2Br)O1 706807766 DZJCXFJMISCMGN-JTQLQIEISA-N 314.223 3.202 10 10 DGCE CN(C)c1ccc(CNC(=O)C(F)(F)Cc2ccccc2)cc1 792848508 MBBHRQCRAFXFKO-UHFFFAOYSA-N 318.367 3.247 10 10 DGCE COc1ccc(CNC[C@H](C)CNC(=O)OC(C)(C)C)cc1C 697831275 DSLJYIMKTKXIGZ-ZDUSSCGKSA-N 322.449 3.254 10 10 DGCE C[C@@H](C(=O)NCc1c(O)ccc2ccccc12)c1ccccn1 1157041673 KYKNGGXACPUODY-CYBMUJFWSA-N 306.365 3.360 10 10 DGCE COc1ccc(F)cc1CNC(=O)N[C@@H](C)c1ccccc1O 1312559936 DWWLJFXUDVTDQX-NSHDSACASA-N 318.348 3.100 10 10 DGCE COC[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@@H]1C 2118641881 ZJQRHWOWLUBOHX-GXSJLCMTSA-N 304.217 3.413 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CC[C@@H]2CCO[C@@H]2C1 2128410089 BPIJKYPRBDCWQD-NOZJJQNGSA-N 302.201 3.310 10 10 DGCE Cc1ccc(CN[C@@H]2CCN(Cc3ccccc3)[C@H]2C)c(O)c1 1659952185 LAZMITWHJACKPF-QFBILLFUSA-N 310.441 3.453 10 10 DGCE C[C@@]1(C(=O)NCc2ccc(N3CCSCC3)cc2)C=CCC1 1333407973 AIUFSYYDBLKAML-GOSISDBHSA-N 316.470 3.212 10 10 DGCE COc1ccc(CN[C@@H](C)CCNC(=O)[C@H]2CC2(C)C)cc1C 1266138057 WJCTYPVFNMOLTP-GOEBONIOSA-N 318.461 3.034 10 10 DGCE CN(C[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2)c1ccc(CN)cc1Br 2134496588 JVRGEOSTQCFHJF-GUYIQFIESA-N 321.262 3.246 10 10 DGCE [N-]=[N+]=N[C@@H]1CCN(CC(=O)Nc2ccc(Cl)c(Cl)c2)C1 1912160450 WIEAWILCWADADU-SECBINFHSA-N 314.176 3.317 10 10 DGCE CC(=O)c1ccc(CC(=O)NCc2cccc(Cl)c2O)cc1 1606860292 IRUSQCZFIJXNFZ-UHFFFAOYSA-N 317.772 3.107 10 10 DGCE CN[C@H](C[C@H](C)N(C)C(=O)OC(C)(C)C)c1ccccc1O 1925319828 VCODLFMVOJIRBX-GXTWGEPZSA-N 308.422 3.298 10 10 DGCE COc1ccc(CNC(=O)c2c(C)cc(F)cc2C)c(O)c1 1556354414 JBUWGTRRGNWXGM-UHFFFAOYSA-N 303.333 3.087 10 10 DGCE C[C@H](CC(=O)NCc1ccc(O)cc1O)c1ccc(F)cc1 1626838284 VGMLSNRVEXGACB-LLVKDONJSA-N 303.333 3.047 10 10 DGCE C/C(=C/C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)c1cccs1 1624954858 LVYHKODHZJVTDA-KGTBHZDVSA-N 317.410 3.310 10 10 DGCE C[C@H](NC(=O)N1Cc2cccc(O)c2C1)c1c(F)cccc1F 1565382658 YZMIFNUGXVNMGE-JTQLQIEISA-N 318.323 3.457 10 10 DGCE C[C@H](NC(=O)c1cccc(C(F)(F)F)n1)c1ccccc1O 1642831118 PZHRUHAVZYBNIV-VIFPVBQESA-N 310.275 3.297 10 10 DGCE C=Cc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2O)cc1 1772554619 VHJOZCUERYXLGM-GFCCVEGCSA-N 303.383 3.075 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@]2(CCCN(CCN=[N+]=[N-])C2)C1 1962287936 OVRPFURVPLJCIC-OAHLLOKOSA-N 309.414 3.020 10 10 DGCE Cc1cc(NC(=O)Cc2ccc(N)cc2)n(-c2ccc(F)cc2)n1 150703518 LBTOWBDDFSEUBQ-UHFFFAOYSA-N 324.359 3.083 10 10 DGCE Cc1cccc(CNc2cc3c(cc2Cl)NC(=O)C3)c1O 164967637 DHPYNSRHMARHNR-UHFFFAOYSA-N 302.761 3.461 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H](N)c2ccccc2O)CC1 1937299449 AFIITSBCVUEXBN-CZUORRHYSA-N 320.433 3.429 10 10 DGCE CC1(C)CN(Cc2ccccc2)CCN(c2ccc(CN)cc2)C1 1945301656 GURLDTOJSJIOKZ-UHFFFAOYSA-N 323.484 3.494 10 10 DGCE C[C@@H]1CC[C@](CO)(NCc2cc(Cl)cc(Cl)c2O)C1 1880896793 FOOLVYNAKWCESX-OTYXRUKQSA-N 304.217 3.340 10 10 DGCE CN(C)c1ccc([C@@H](N)c2ccn(Cc3ccccc3)n2)cc1 1992802932 LLVRXSRYWQVZDN-LJQANCHMSA-N 306.413 3.046 10 10 DGCE CC(C)N[C@]1(CO)CCC[C@H](CSc2nccs2)C1 403201624 OWRFTYDFFLOZHR-GXTWGEPZSA-N 300.493 3.155 10 10 DGCE CNCc1ccc(N(C)CC(C)(C)OC)c(Br)c1 404187889 CQSMNFIRSAOCLY-UHFFFAOYSA-N 315.255 3.030 10 10 DGCE O=C(O)c1ccccc1NCc1c(O)cccc1Br 706807644 BUMKZARUWVJWPH-UHFFFAOYSA-N 322.158 3.465 10 10 DGCE [N-]=[N+]=NCC1(CNC(=O)c2cc(Cl)cc(F)c2F)CC1 2174354571 IDLSFKDQFBKUSQ-UHFFFAOYSA-N 300.696 3.439 10 10 DGCE C[C@H]1CCN(Cc2cc(Br)ccc2O)C[C@@H]1F 779148219 GYBCNLOWEXVILV-CABZTGNLSA-N 302.187 3.335 10 10 DGCE CCOC(=O)c1cnn([C@@H](C)c2cc(C)ccc2O)c1Cl 2070386023 ICPQBMRLEATOKO-JTQLQIEISA-N 308.765 3.337 10 10 DGCE CNCc1ccc(N(CCO)Cc2ccsc2)cc1Cl 2171101960 QGCWJNUJTPLJGX-UHFFFAOYSA-N 310.850 3.120 10 10 DGCE CCNCc1ccc(N2CCSCC(F)(F)C2)cc1C 2193335646 UIIVJQSGDLCXEU-UHFFFAOYSA-N 300.418 3.293 10 10 DGCE C[C@]1(P(C)(C)=O)CCCN1c1c(F)cc(CN)cc1F 2181672718 IBSMUWSBGFSPPL-AWEZNQCLSA-N 302.305 3.363 10 10 DGCE Oc1cc(Br)ccc1CNC[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2 2070861246 JOWOUYLUFULMGG-IOJXFJDTSA-N 308.219 3.146 10 10 DGCE Cc1ccc(CN(C)c2ccc(CO)c(Br)c2)nc1 2105379308 KQVWVQGBCGIGHP-UHFFFAOYSA-N 321.218 3.281 10 10 DGCE CCCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S 2294737437 ZDZQOOOEQVIBQX-UHFFFAOYSA-N 321.423 3.417 10 10 DGCE CCCN[C@](CO)(CSc1nccs1)CC1CCC1 2340831355 DMBCZDPBQVXKEE-CQSZACIVSA-N 300.493 3.156 10 10 DGCE CC[C@H](N[C@H](C)C(=O)N1CCCCC1)c1ccc(N(C)C)cc1 178464679 XPONFCYUWDFAQZ-QAPCUYQASA-N 317.477 3.194 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)NCc2cscn2)cc1 50408597 ZIDXLVBJRDDSCQ-UHFFFAOYSA-N 311.410 3.481 10 10 DGCE Nc1ccc(-n2nccc2NC(=O)c2ccc(Cl)s2)cc1 61628828 DPDZBDFJFFRMMK-UHFFFAOYSA-N 318.789 3.422 10 10 DGCE CC1(C)CN(c2ccc(OC(F)(F)F)c(Cl)c2)CCN1 401313679 XDMNEPXIFUBJDU-UHFFFAOYSA-N 308.731 3.427 10 10 DGCE CCOc1ccc(O)c(CN2CCC[C@H](n3cc(C)cn3)C2)c1 123086669 RZEPLHNFGKTZAL-INIZCTEOSA-N 315.417 3.133 10 10 DGCE COCCCN1C(=O)/C(=C/c2ccc(C)s2)SC1=S 74390670 YZDPWOQDWGVCCE-FLIBITNWSA-N 313.469 3.294 10 10 DGCE CC(C)(C)OC(=O)Nc1ccc([C@H]2NCCCCC2=O)c(O)c1 1952707590 FSMIEFPKIWWQIC-OAHLLOKOSA-N 320.389 3.123 10 10 DGCE CC[C@@H](c1cc(Br)ccc1O)N(C)CCC(=O)O 86774807 MJAAYXFWKHMOCW-NSHDSACASA-N 316.195 3.012 10 10 DGCE Nc1ccc(CC(=O)NCc2cc3cc(F)ccc3s2)cc1 195282054 KUHYTUHYNLJEHN-UHFFFAOYSA-N 314.385 3.482 10 10 DGCE COc1ccc(N(C)CCCOCc2ccccc2)c(N)c1 383873955 YJUANSFFKIXSIB-UHFFFAOYSA-N 300.402 3.321 10 10 DGCE CC(C)(C)OC(=O)N1CCCCC(=O)[C@@H]1c1ccc(N)cc1O 1953035943 HPEBCRIQDJLLCN-HNNXBMFYSA-N 320.389 3.006 10 10 DGCE C[C@H](NCc1cc(Cl)c(F)cc1O)[C@@H](O)c1ccccc1 293966679 QHRIYNIWLGROMM-MGPLVRAMSA-N 309.768 3.396 10 10 DGCE CN[C@H](c1ccc2c(c1)CCCN2C)c1cc(Cl)ns1 2167194833 PLXORUMAGPTKMB-OAHLLOKOSA-N 307.850 3.488 10 10 DGCE O=C(NCc1cccc(Br)c1O)C1(C2CC2)CCC1 907757467 GNPQFEKRKZBRIR-UHFFFAOYSA-N 324.218 3.351 10 10 DGCE CCOC(=O)CCN(Cc1cc2c(cc1O)CCC2)CC1CC1 743359963 YZNKYWJMRYFHHX-UHFFFAOYSA-N 317.429 3.046 10 10 DGCE Cc1cc(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)no1 746426314 NRVHLRMYBXGPQV-UHFFFAOYSA-N 323.396 3.363 10 10 DGCE Oc1cc2c(cc1CN1CCC[C@@H]1[C@@H]1CCC[C@@H]1O)CCC2 840117929 CKBSOATVDBTAGZ-KSZLIROESA-N 301.430 3.006 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCC([C@@H]3CCNC3)CC2)cc1 843127011 NXFXOVWBEVWKFW-GNAXCBTBSA-N 313.489 3.087 10 10 DGCE C[C@H](N[C@H]1CCC[C@H](CO)C1)c1cc2c(cc1O)CCCC2 840895423 LRNBEAAHXAZSIL-ZQIUZPCESA-N 303.446 3.473 10 10 DGCE C[C@]12C[C@H]1CCC[C@@H]2NCc1ccc(N2CCC(O)CC2)cc1 850567940 MKWUQNNCEINCLA-UXPWSPDFSA-N 314.473 3.316 10 10 DGCE Cc1ccc(O)c(CNC(=O)N[C@@H]2C[C@]2(F)c2ccccc2)c1 858554807 SPKHOKHMPDIPAV-AEFFLSMTSA-N 314.360 3.137 10 10 DGCE Cc1ccc(/C=C/C(=O)N2CCc3cc(F)c(F)cc32)cn1 754119856 WONHROBFXDCUEX-SNAWJCMRSA-N 300.308 3.271 10 10 DGCE O=C(NCc1ccc(N2CCCC2)cc1)C1CC2(CSC2)C1 864862575 KVZFMUYXQQUFLN-UHFFFAOYSA-N 316.470 3.046 10 10 DGCE CCN(C(=O)OC(C)(C)C)[C@H](C(=O)O)c1c(C)cccc1O 1958781366 QZURLLIZHWBGHB-ZDUSSCGKSA-N 309.362 3.083 10 10 DGCE C[C@@H]1C[C@H](N(C)Cc2cc(Cl)cc(F)c2O)CCN1C 775717205 NOHBLMFXBGAEGZ-ZWNOBZJWSA-N 300.805 3.099 10 10 DGCE COc1ccc(CN[C@@H](C)COCc2ccccc2)c(O)c1 390557335 IVVITHPAOXJZAE-AWEZNQCLSA-N 301.386 3.096 10 10 DGCE COc1cc(C)cc(CN[C@@H](C)c2ccccc2[N+](=O)[O-])c1O 894369668 BCOIPTUURMFZLS-LBPRGKRZSA-N 316.357 3.468 10 10 DGCE Cc1nc(Cl)nc(Cl)c1CCN(C)c1ccc(N)cc1 702120789 NHMUEZHCKYGCPE-UHFFFAOYSA-N 311.216 3.353 10 10 DGCE C[C@H](N)c1ccc(N2CCO[C@H](C(F)F)CC2)cc1Cl 687572185 MJYCZNOHKQCQEH-ZANVPECISA-N 304.768 3.220 10 10 DGCE C[C@H]1CC[C@H]1NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 796526965 UKYDGPCYHUJSCB-DZGCQCFKSA-N 303.406 3.473 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)C(C(F)(F)F)C(F)(F)F 692849951 XPSMAQOIDBREON-RXMQYKEDSA-N 304.194 3.029 10 10 DGCE C[C@@H](N)c1ccc(N(Cc2ccccc2)[C@@H]2CCOC2)cc1O 1915433557 CFCATYPLGNZLSP-RHSMWYFYSA-N 312.413 3.207 10 10 DGCE COc1ccc(N(CCC(C)(C)O)Cc2ccccc2)c(N)c1 1915793530 OVFPSQXFBLEYBD-UHFFFAOYSA-N 314.429 3.445 10 10 DGCE OCc1ccc(N2CC[C@@H](CC(F)F)C2)c(Br)c1 1916725799 YBFLTKYGWGLXHU-VIFPVBQESA-N 320.177 3.423 10 10 DGCE CC[C@H](CCO)NC(=O)c1cc(C)ccc1-n1c(C)ccc1C 1295003643 DQBKLDIZBVFAKC-MRXNPFEDSA-N 314.429 3.293 10 10 DGCE COc1cc([C@H](CO)N=[N+]=[N-])cc(NC(=O)OC(C)(C)C)c1O 1535994904 RHMVCNFMKXZFAY-JTQLQIEISA-N 324.337 3.092 10 10 DGCE CC1(C)CCC[C@@H]1[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1469337975 JHYRXBFCNKIVTO-HUUCEWRRSA-N 317.429 3.315 10 10 DGCE C[C@H](NC(=O)c1ccc(Cn2cccn2)cc1)c1ccccc1O 1471194649 NRLKYIGEIJVWEA-AWEZNQCLSA-N 321.380 3.128 10 10 DGCE Cc1cnccc1CC(=O)N(C)Cc1ccc(N2CCCC2)cc1 1540567237 FFSMHADUGTTXNL-UHFFFAOYSA-N 323.440 3.191 10 10 DGCE C[C@@H](NC(=O)c1cc(F)cc(F)c1O)c1ccc(N(C)C)cc1 1625543056 BEPOTUYRAVSGMV-SNVBAGLBSA-N 320.339 3.227 10 10 DGCE O=C(NCc1c(O)cccc1O)[C@@H]1CCCC[C@H]1C(F)(F)F 1635850896 UXOURCOJQSWZAN-MWLCHTKSSA-N 317.307 3.083 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2ccnc(Cl)c2Cl)c1 1645804932 MOGFQOQNRGCOAY-UHFFFAOYSA-N 311.168 3.332 10 10 DGCE COc1cccc(CNC(=O)NCC2C[C@@H](C)C[C@H](C)C2)c1O 1682577659 DFIYAERAPFPPFZ-STQMWFEESA-N 320.433 3.272 10 10 DGCE CCCNc1nc(Sc2nccs2)nc(N(CC)CC)n1 150292082 XRBBKPXINTUTAA-UHFFFAOYSA-N 324.479 3.147 10 10 DGCE CCN(CC(C)(C)O)c1ccc(CNC)cc1C(F)(F)F 163730296 QSCWUOUWCOUNSV-UHFFFAOYSA-N 304.356 3.022 10 10 DGCE C[C@@H]1CC[C@H]([C@H](N)c2ccccc2O)N(C(=O)OC(C)(C)C)C1 1936987876 WOHCGMRRKAVTBX-XNRPHZJLSA-N 320.433 3.428 10 10 DGCE C[C@@H]1CC[C@H]([C@@H](N)c2ccccc2O)N(C(=O)OC(C)(C)C)C1 1936987877 WOHCGMRRKAVTBX-XPKDYRNWSA-N 320.433 3.428 10 10 DGCE CN(C)c1ccc([C@@H](O)C2(CNC(=O)OC(C)(C)C)CC2)cc1 1977938792 LIGPNGSEXROLTI-OAHLLOKOSA-N 320.433 3.091 10 10 DGCE COc1ccc(O)c([C@@H](C)NCC/C=C/Br)c1 2004060243 VMHJLEKTNWYEGH-KFEJWOFMSA-N 300.196 3.350 10 10 DGCE Nc1ccc(O)c(CN2CCC[C@@H](OCc3ccccc3)C2)c1 1987066111 IUKPDXUIWLDAJH-GOSISDBHSA-N 312.413 3.156 10 10 DGCE C[C@H](O)c1cc(F)c(N(Cc2ccccc2)C[C@@H](C)O)c(F)c1 1990400372 OAFVNHHWRCUZTP-OLZOCXBDSA-N 321.367 3.406 10 10 DGCE Cc1ccc(CN[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)c(O)c1 1994457084 VAQKFTKYAXOULM-LSDHHAIUSA-N 320.433 3.236 10 10 DGCE C[C@@H]1CC(F)(F)CN1Cc1ccc(Br)cc1O 2004636820 GFLXMRIWSQPZDU-MRVPVSSYSA-N 306.150 3.384 10 10 DGCE C[C@H](N)c1ccc(N2CCOCC[C@H]2C)c(Br)c1 2031626976 TUEOUJGAAZZRIC-MNOVXSKESA-N 313.239 3.084 10 10 DGCE CC1(C)CCO[C@@H]1CNCc1cc(Br)ccc1O 2036742721 NZPINEIUQBZPOU-CYBMUJFWSA-N 314.223 3.059 10 10 DGCE CNCc1ccc(N2CC(CSC)C2)cc1C(F)(F)F 2161161110 GVLIFUJQQUHYLE-UHFFFAOYSA-N 304.381 3.224 10 10 DGCE CCN(c1ccc([C@H](C)O)c(Br)c1)C(C)(C)CO 688352091 RYNNPVAGKBLNBK-JTQLQIEISA-N 316.239 3.100 10 10 DGCE CO[C@]1(C)C[C@@H]1NCc1cc(Cl)cc(Br)c1O 708198129 XEDIPTXZLBVICQ-CMPLNLGQSA-N 320.614 3.075 10 10 DGCE O=C(NCc1cc2cscc2s1)c1cccc(O)c1O 693919234 YZOACIGFFDMDMV-UHFFFAOYSA-N 305.380 3.304 10 10 DGCE CN(C)[C@@H]1CCC[C@@H](Nc2c(N)cccc2Br)C1 715492563 VNVVAUSTZWRXAR-GHMZBOCLSA-N 312.255 3.316 10 10 DGCE CN1CCC[C@H]2[C@H]1CCN2Cc1cc(Cl)cc(Cl)c1O 720464989 IJVLDMBTRCCHGF-KGLIPLIRSA-N 315.244 3.368 10 10 DGCE C[C@H](NCc1cc(Br)ccc1O)[C@@H]1CC1(F)F 840968843 VLCIHPDWHQJUQL-XVKPBYJWSA-N 306.150 3.288 10 10 DGCE CC(C)c1cnn(Cc2cc(C(F)(F)F)ccc2O)c1O 2070220674 AIBZFBRNFZDGDJ-UHFFFAOYSA-N 300.280 3.485 10 10 DGCE Cc1nc(CNCc2c(O)cccc2Br)c(C)o1 2042420143 SKLRGUWVUIEGEU-UHFFFAOYSA-N 311.179 3.049 10 10 DGCE CCc1cccc(CNC[C@@]2(Br)CC2(F)F)c1O 2082488603 FUKGZWLKDPINSW-LBPRGKRZSA-N 320.177 3.217 10 10 DGCE Cc1ccc(CN(C)c2ccc(CN)cc2Br)cn1 2110733045 JHCTWMZSMGSXGO-UHFFFAOYSA-N 320.234 3.248 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)c1c(Cl)cncc1Cl 2227697822 UYWSIPQFKQBLOP-RKDXNWHRSA-N 300.149 3.350 10 10 DGCE Oc1cccc(Cl)c1CN1CC[C@@H](OC(F)(F)CF)C1 2238816969 HMLIPWAITPOVIF-SECBINFHSA-N 309.715 3.199 10 10 DGCE CC[C@@H](N)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1 2244234122 UFZWTGNTDQFNGM-MRXNPFEDSA-N 319.449 3.154 10 10 DGCE OCc1ccc(N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@H]3C2)cc1Br 2264959014 YHWRJNXMHMXTQH-AGCIHXOGSA-N 322.246 3.424 10 10 DGCE CCN1C(=O)C(=Cc2cn(C)c3ccccc23)SC1=S 2296453342 QLUTUVWHSRJHAQ-UHFFFAOYSA-N 302.424 3.399 10 10 DGCE CN(Cc1cc(Cl)cc(Br)c1O)C[C@@H]1CCO1 2302379758 DZLXSJMEANFDFS-JTQLQIEISA-N 320.614 3.029 10 10 DGCE Cc1cccc(C)c1CCNC(=O)C=Cc1ccc(O)c(O)c1 2308002116 XNAZMQLMKBXLDU-UHFFFAOYSA-N 311.381 3.087 10 10 DGCE Oc1ccc(Br)cc1CN[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2F 2308606481 OEOIORCNWSNDNA-WTTBSCSTSA-N 314.198 3.381 10 10 DGCE CC(C)COc1cccc(C(=O)NCc2cccc(O)c2O)c1 1350300877 ZPDDPHCRPXLAJI-UHFFFAOYSA-N 315.369 3.063 10 10 DGCE O=[N+]([O-])c1sc2cc(I)ccc2c1O 307132068 VDKPXCIZKLTSBD-UHFFFAOYSA-N 321.095 3.120 10 10 DGCE CN[C@H](c1ccccc1O)c1c(C(F)F)nn(C)c1Cl 2364984757 DFCKRBOWSWPQKH-SNVBAGLBSA-N 301.724 3.026 10 10 DGCE Oc1ccsc1-c1nc(-c2ccc(Br)cn2)no1 122239983 ZCZIUCYMTYERTM-UHFFFAOYSA-N 324.159 3.328 10 10 DGCE Clc1ccncc1NCc1ccc(N2CCOCC2)cc1 129335192 YWZSYHFFSCKUFF-UHFFFAOYSA-N 303.793 3.184 10 10 DGCE C[C@H](NCC(=O)NC(C)(C)C)c1ccc2ccccc2c1O 121879685 BBERTQJUNYGPJG-LBPRGKRZSA-N 300.402 3.111 10 10 DGCE CC(C)N(CCCOCC(F)(F)F)c1ccc(CN)cc1 49312100 BIUYFJSKVFBPHU-UHFFFAOYSA-N 304.356 3.329 10 10 DGCE CCc1sc(C(=O)Nc2ccc(O)cc2C(=O)O)cc1C 48847102 UNVHIJKDYMDOFL-UHFFFAOYSA-N 305.355 3.275 10 10 DGCE COc1cccc(CN[C@@H]2CCOC3(CCCCC3)C2)c1O 136749091 YFFVGLLLIRTVFX-OAHLLOKOSA-N 305.418 3.372 10 10 DGCE CC(C)NCc1ccc(N2C[C@H]3[C@H](O)CC[C@H]3C2)c(Cl)c1 228063660 TWRLUBYMBBNMLH-JJRVBVJISA-N 308.853 3.045 10 10 DGCE COc1ccc(O)c(CN[C@@H](C)c2ccccc2N(C)C)c1 89725908 NBEBDOZMISFJPZ-ZDUSSCGKSA-N 300.402 3.318 10 10 DGCE CC[C@@H]1CCCCN1C(=S)N(C(C)=O)c1ccc(N)cc1 243364087 MCBCNFKIEICGSC-CQSZACIVSA-N 305.447 3.171 10 10 DGCE CC[C@H](C)[C@H](C)NC(=O)/C=C\c1ccc(N2CCOCC2)cc1 255073295 IKXOIMXYPWJIPK-WDSKNZHCSA-N 316.445 3.087 10 10 DGCE CC(C)NC1CCN(Cc2cc(Cl)c(F)cc2O)CC1 295455788 VOECEKUVIYXJCW-UHFFFAOYSA-N 300.805 3.147 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)/C=C/[C@@H]1CCCO1 819524489 MNQLSUPYUFAWFP-OFAQMXQXSA-N 303.402 3.256 10 10 DGCE CN(C)c1ccc(CN2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cc1F 824696989 WYIXCPIJYLYCLA-SZVBFZGTSA-N 320.452 3.407 10 10 DGCE CCCCN(Cc1cn(CC2CC2)nn1)Cc1ccccc1O 829515944 KGXPZYUKBARQHR-UHFFFAOYSA-N 314.433 3.196 10 10 DGCE COc1ccc(CNCc2cc(Cl)ccc2O)cc1[N+](=O)[O-] 725848856 AAAHFEDXSCBHID-UHFFFAOYSA-N 322.748 3.252 10 10 DGCE COc1cc(CN(C)c2ccc([C@@H](C)N)cc2Cl)sn1 722397918 YVUSWYVMRHFXLV-SECBINFHSA-N 311.838 3.461 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCC[C@](O)(C3CC3)C2)cc1 827151696 IGLJGNMTAUVSHJ-MEDHRJKHSA-N 300.446 3.003 10 10 DGCE CC[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)C1 824581524 UNDYRKMSQNMQRA-VXGBXAGGSA-N 302.378 3.500 10 10 DGCE C[C@@H](CC(F)(F)F)C(=O)NCc1c(O)ccc2c1CCCC2 837480565 KCXWBLRFTCMDCS-JTQLQIEISA-N 315.335 3.476 10 10 DGCE Cc1ncc(CNCc2ccc(N3CCC(C)CC3)cc2)cn1 731041630 LIKUGZISYPYENF-UHFFFAOYSA-N 310.445 3.311 10 10 DGCE Nc1ccc(CCNC2CCN(CCc3ccccc3)CC2)cc1 841034543 HJNSSRFLFNLZMS-UHFFFAOYSA-N 323.484 3.108 10 10 DGCE Cc1cc(O)c(CN2C[C@@]3(CCCO3)[C@H]2C2CC2)c(Cl)c1 840948963 KEESNJOCOFMNKF-SJORKVTESA-N 307.821 3.497 10 10 DGCE COc1cc(CN[C@]23C[C@@H]2COC3(C)C)c(O)c(C(C)(C)C)c1 858229629 FCCXFEWLBLJWLT-BFUOFWGJSA-N 319.445 3.355 10 10 DGCE CC[S@](=O)CCN[C@H](C)c1ccc(Cl)c(Cl)c1O 756576156 LFXBDDZPKPAUMX-CVJBHZAOSA-N 310.246 3.118 10 10 DGCE C[C@H](NC(=O)NC[C@@H]1CCCC2(CCC2)O1)c1ccccc1O 927174311 LGMITBJIZVZZQF-KBPBESRZSA-N 318.417 3.244 10 10 DGCE C[C@@H]1C[C@H](NCc2cc(-c3ccccc3)ccc2O)c2ncnn21 850352456 XBRRRFKXHFFGJI-DYVFJYSZSA-N 320.396 3.446 10 10 DGCE C[C@@H](NCC[C@@H]1COc2ccccc2O1)c1cc(F)ccc1O 756756971 ASUJKEMUWOOWLQ-TZMCWYRMSA-N 317.360 3.412 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)c3cccc(C)c3)C2)cc1 855234667 IMKAKYACGZEUHP-MRXNPFEDSA-N 310.397 3.012 10 10 DGCE CCCCN(Cc1ccccc1O)C[C@H](O)CCC1(O)CCC1 930349966 CRTKZTQZVQKLMP-QGZVFWFLSA-N 321.461 3.050 10 10 DGCE Cc1nc(C2CC2)oc1C(=O)NCc1ccc2cccnc2c1O 862026924 DGTVQZSSAXPUHQ-UHFFFAOYSA-N 323.352 3.044 10 10 DGCE CN(C)c1cc(F)c(CN2CC[C@H]([C@@H]3CCCO3)C2)cc1F 895846417 UBKFKXDIUAGFLR-SJCJKPOMSA-N 310.388 3.032 10 10 DGCE CC[C@@H](NCc1cc(Cl)c(F)cc1O)[C@@H]1CCCOC1 895662197 BSDVUESFIIUWKO-QMTHXVAHSA-N 301.789 3.480 10 10 DGCE CNC(=O)C[C@@H](N[C@@H](C)c1ccc(F)cc1O)c1ccccc1 795848851 AQFXRANGZNOEEZ-BLLLJJGKSA-N 316.376 3.059 10 10 DGCE COc1ccc(CNC(=O)CCCc2ccc(C)cc2)c(O)c1 794387451 IHTDKNOZRWHXLG-UHFFFAOYSA-N 313.397 3.348 10 10 DGCE C[C@H](NC[C@@H]1CCN1Cc1ccccc1)c1ccc(O)cc1O 716300527 VYTMIOOFUHUCSI-HOCLYGCPSA-N 312.413 3.023 10 10 DGCE Cn1ncc(NCc2ccc(Br)cc2O)c1Cl 694125472 CMNOPCOXGGCIQA-UHFFFAOYSA-N 316.586 3.154 10 10 DGCE O=C(NCc1c(O)cccc1O)[C@H]1CC[C@H](C2CCC2)CC1 1304053892 VHIHTSDYVHNOBS-HDJSIYSDSA-N 303.402 3.321 10 10 DGCE Cc1ccc([S@](C)(=O)=NC(=O)c2ccc(C)c(O)c2O)cc1 1157516519 SDKASKJNHOVLRC-QFIPXVFZSA-N 319.382 3.012 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N(C)Cc2ncccn2)cc1 1302935401 GYECRQUPPMLEFB-UHFFFAOYSA-N 320.396 3.156 10 10 DGCE Cc1ccnn1-c1ccc(C(=O)N2Cc3cccc(O)c3C2)cc1 1175029661 JORDVGANOJRNOK-UHFFFAOYSA-N 319.364 3.042 10 10 DGCE CO[C@@H]1CC[C@@H](NCc2ccc(N(C)C)cc2C(F)(F)F)C1 1324976944 UKMVBEDRTVUMKV-TZMCWYRMSA-N 316.367 3.429 10 10 DGCE CNCc1ccc(N(Cc2ccccc2)C[C@H](C)O)c(Cl)c1 1914633734 OEPVIZLHHIORDV-AWEZNQCLSA-N 318.848 3.447 10 10 DGCE COc1ccc2c(c1)c1c(n2CC(=O)NCC(C)C)CCCC1 1351551365 DPEOYOCUEBTTJQ-UHFFFAOYSA-N 314.429 3.301 10 10 DGCE CCCN[C@@H](c1ccccc1O)[C@H]1CCN1C(=O)OC(C)(C)C 1912940466 MXPNAVADDIRSLE-ZBFHGGJFSA-N 320.433 3.442 10 10 DGCE Cc1cc(CC(=O)NCc2cccnc2)c(C)n1-c1ccccc1 1440489129 GASMYQXQEPKCPQ-UHFFFAOYSA-N 319.408 3.348 10 10 DGCE O=C(Cc1nc(C2CC2)cs1)NCc1cc(Cl)ccc1O 1452935503 HXUZSZXIYDMJIF-UHFFFAOYSA-N 322.817 3.238 10 10 DGCE COc1nccc2c(NC(=O)c3ccc(C)c(O)c3O)cccc12 1299106745 SBVGWRYPXLKJMD-UHFFFAOYSA-N 324.336 3.215 10 10 DGCE CCN1CCN(/N=N/c2ccc(OC(F)(F)F)cc2)CC1 1860487538 CJNMLZZVXGSGRS-ISLYRVAYSA-N 302.300 3.221 10 10 DGCE CC(C)CC[C@H]1CCC[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 1611413258 VNHDMVPMDYVYII-CABCVRRESA-N 305.418 3.361 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N2CC[C@H](c3ccco3)C2)cc1 1617591658 AWSZSPRWUFXNIF-LBPRGKRZSA-N 312.329 3.072 10 10 DGCE COc1cccc(CNC(=O)c2nc3ccccc3cc2C)c1O 1622778968 CVLFNOYYKWXOJL-UHFFFAOYSA-N 322.364 3.187 10 10 DGCE Cc1ccc2occ(CC(=O)NCc3ccc(O)c(O)c3)c2c1 1631434222 MUBNWIZSGUDDIV-UHFFFAOYSA-N 311.337 3.011 10 10 DGCE CN1CCCc2cc(CNC[C@H]3CSCCS3)ccc21 229587963 HJUAVCNCGJSPOK-HNNXBMFYSA-N 308.516 3.007 10 10 DGCE CCN[C@@H](CCN(C)C(=O)OC(C)(C)C)c1ccccc1O 1928471571 VRZSITBCKOOGSS-AWEZNQCLSA-N 308.422 3.300 10 10 DGCE COCc1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc1 1568309410 NUKXLEPMNVODOP-UHFFFAOYSA-N 312.329 3.248 10 10 DGCE CC(C)[C@H]1N(C(=O)Cc2ccc(O)c(O)c2)CC12CCCC2 1570309120 MAWBLIJYGAQCMW-QGZVFWFLSA-N 303.402 3.068 10 10 DGCE Oc1ccc(CNc2c(F)c(F)c(F)c(F)c2F)c(O)c1 158869605 HMIMRXNUTGYEIE-UHFFFAOYSA-N 305.202 3.405 10 10 DGCE COc1ccc(N(CCCNC(C)=O)Cc2ccccc2)cc1 157417900 ZGSJNPBFMHATRP-UHFFFAOYSA-N 312.413 3.228 10 10 DGCE CO[C@H]1CCC[C@@H](NCc2c(O)cccc2Br)C1 1963468711 XCWZTRKFBUTHQM-MNOVXSKESA-N 314.223 3.202 10 10 DGCE CN(C)c1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCCN2)cc1 1951983293 LBHKUPNKSDRCSM-MRXNPFEDSA-N 319.449 3.024 10 10 DGCE CC(C)(C)OC(=O)N1CCC(=O)C[C@@H]1c1cccc(F)c1O 1952068328 CHJILMPTDRQUFD-CYBMUJFWSA-N 309.337 3.172 10 10 DGCE CC[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)[C@H]1C(=O)O 1968201322 GXHAMVFSGCCBTM-PRHODGIISA-N 318.200 3.384 10 10 DGCE CC(C)(C)OC(=O)NC1(CCNCc2ccc(N)cc2)CCC1 1976246157 DWGKXYBQZBLRDF-UHFFFAOYSA-N 319.449 3.196 10 10 DGCE Cc1cccc(O)c1CNCc1csnc1Br 1997968748 SKWDGCYSFUKQTL-UHFFFAOYSA-N 313.220 3.209 10 10 DGCE C[C@@H]1[C@@H](CN(C)c2ccc(CO)c(Br)c2)C1(F)F 2036079622 VGZSKFRPCXLZCB-LDYMZIIASA-N 320.177 3.279 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@H]3C[C@H]2[C@H]2C[C@H]32)c(Br)c1 2041511239 QBRVUQDYADKYDW-LXRNVZLWSA-N 308.219 3.347 10 10 DGCE COc1cc(Cl)cc(CN[C@@H]2[C@H]3CCC(F)(F)[C@@H]32)c1O 2170820611 MCCIEBGUSBLPRO-ZMLRMANQSA-N 303.736 3.188 10 10 DGCE CCc1cccc(CNCc2ccncc2Br)c1O 686562310 IEDFDFCXAKQZBZ-UHFFFAOYSA-N 321.218 3.402 10 10 DGCE CN(C)Cc1cc(C2CCC2)nn1Cc1c(O)cccc1F 2070165721 UTXWSEBTDGTNGD-UHFFFAOYSA-N 303.381 3.105 10 10 DGCE Cc1cc([C@H](O)c2ccc(N(C)C)cc2)oc1Br 2044718444 JPOZODMOOFHFNI-CYBMUJFWSA-N 310.191 3.498 10 10 DGCE CN(c1ccc(CO)c(Br)c1)C1[C@@H]2C[C@@H]2[C@H]2C[C@@H]12 2047811552 IHCOTHSLBKWOCF-FDYHWXHSSA-N 308.219 3.032 10 10 DGCE CN(Cc1ccc(Cl)cc1O)[C@H]1CO[C@@H](C(F)(F)F)C1 2185542881 NQFCOBVYVSEBSH-ZYHUDNBSSA-N 309.715 3.197 10 10 DGCE O=C(O)[C@](CSc1nccs1)(NC1CC1)C1CCCC1 2208167045 IOUSFPVBQBEQFN-CQSZACIVSA-N 312.460 3.001 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)c1cc2c(s1)CCSC2 2234166668 PDGZJCCDLBHIBB-NXEZZACHSA-N 308.432 3.499 10 10 DGCE Cc1c(Br)nnc(N(C)Cc2ccc(N)cc2)c1C 2226496755 RXTJCLUBYYNPHG-UHFFFAOYSA-N 321.222 3.075 10 10 DGCE COCC1(C)CC(NCc2ccc(Br)cc2O)C1 2260998755 LFCFTRKLVSZUDV-UHFFFAOYSA-N 314.223 3.059 10 10 DGCE COc1c(Cl)cc(Cl)cc1C=C1SC(=S)NC1=O 2297400941 HBMTYWBFPTYJAG-UHFFFAOYSA-N 320.222 3.491 10 10 DGCE CC[C@H](C)[C@@H](C)NC(=O)C=Cc1ccc(N2CCOCC2)cc1 2297505355 IKXOIMXYPWJIPK-JKSUJKDBSA-N 316.445 3.087 10 10 DGCE CCN(C(=O)/C=C\c1cnc2ccccc2n1)c1cccnc1C 493405203 XDIOGMPFVODXOZ-KHPPLWFESA-N 318.380 3.400 10 10 DGCE CCS[C@H]1CCC[C@@H](NC(=O)C=Cc2ccc(O)c(O)c2)C1 2307989939 NKLLVTWWYUKHRX-KGLIPLIRSA-N 321.442 3.292 10 10 DGCE CCN1CCN(C(=O)C=Cc2scnc2C)c2ccccc21 2310092920 ZYFJRVDDBTWWPB-UHFFFAOYSA-N 313.426 3.338 10 10 DGCE O=C1C(=Cc2cccs2)C(C(F)(F)F)=NN1c1ccccn1 2332127543 INVUOVCHVGVECF-UHFFFAOYSA-N 323.299 3.492 10 10 DGCE Cc1ccc(CN2C[C@@H](C)OC[C@@H]2C)c(O)c1Br 2327579474 ZVWQOWSUPQAUHP-WDEREUQCSA-N 314.223 3.072 10 10 DGCE CCOc1ccc(N2CC[C@@H]([C@](C)(O)C(F)(F)F)C2)cc1 107946555 RWQHDVAKLAPLKN-RISCZKNCSA-N 303.324 3.225 10 10 DGCE CCC1(CC)OCCC[C@]1(Sc1nccs1)C(=O)O 2351991230 OTUQXJOSTSOMJX-ZDUSSCGKSA-N 301.433 3.428 10 10 DGCE C[C@H]1CCC(=O)N1C(=O)CCn1c2c(c3ccccc31)CCCC2 1848805251 PDIJSAOJLALKKY-AWEZNQCLSA-N 324.424 3.448 10 10 DGCE C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(N)cc1 51018227 OHOAGPIYJVQDTJ-LLVKDONJSA-N 304.777 3.006 10 10 DGCE COC(=O)/C=C/c1ccc(N2CCCC[C@@H](C)C2)c([N+](=O)[O-])c1 302343763 CEXKHQAVAIKHMP-BUUCAEBMSA-N 318.373 3.407 10 10 DGCE CCn1cc(N[C@H](C)c2ccc(N3CCC(O)CC3)cc2)cn1 183358085 HLBGRBCVWLSWRQ-CQSZACIVSA-N 314.433 3.037 10 10 DGCE CNC(=O)c1ccc(C)c(N[C@H](C)c2cc(OC)ccc2O)c1 192804165 JSRZULPCZPLZPT-GFCCVEGCSA-N 314.385 3.242 10 10 DGCE CCNc1ncc(Br)c(Sc2nccs2)n1 87851089 RHBUJABQMCWUGY-UHFFFAOYSA-N 317.237 3.279 10 10 DGCE CCCNCc1ccc(N2CCN(CC)[C@@H](C)C2)c(Cl)c1 220640396 RXOJLONGYNJGFF-AWEZNQCLSA-N 309.885 3.370 10 10 DGCE C[C@@H](C(=O)Nc1ccc(N)cc1)N(C)[C@H](C)c1cccs1 49725928 BFIMGDQEZBACNU-NEPJUHHUSA-N 303.431 3.350 10 10 DGCE C[C@@H]1CN(c2ccc(CN)c(Br)c2F)C[C@@H]1C 231840291 VFOKFQRIEIUQIV-DTORHVGOSA-N 301.203 3.139 10 10 DGCE C[C@H](N[C@@H]1C[C@H]2CC[C@H]1O2)c1cc(Br)ccc1O 248495103 KTJMBRDWEDEEGR-NVBBAKCQSA-N 312.207 3.125 10 10 DGCE COCCN(CCOC)N=Nc1ccccc1Br 2330181846 QEYJJMKXRBOMHM-UHFFFAOYSA-N 316.199 3.043 10 10 DGCE CCN(Cc1cc(Cl)cc(OC)c1O)[C@H]1CCC[C@H]1CN 252847878 HMRJHONINKJZPE-FZMZJTMJSA-N 312.841 3.004 10 10 DGCE Oc1ccc2c(n1)CCC[C@@H]2NCc1c(O)cccc1Cl 264985590 VUHFHVQRPKHIQS-ZDUSSCGKSA-N 304.777 3.313 10 10 DGCE Cc1cc(O)c([C@H](CCC(=O)O)NC(=O)OC(C)(C)C)cc1C 1952841344 SGAHKBVJZNFQAF-ZDUSSCGKSA-N 323.389 3.440 10 10 DGCE C[C@@H]1CC[C@H]1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 807555438 ARJCSUPWZGRDCB-CXAGYDPISA-N 301.434 3.225 10 10 DGCE CO[C@H](C)c1nsc(NCc2ccc(N3CCCC3)cc2)n1 800847274 WEUKFHKQHNZLMG-GFCCVEGCSA-N 318.446 3.458 10 10 DGCE CO[C@@H]1C[C@@H]2C[C@H](NCc3ccc(N(C)C)c(F)c3)C[C@@H]2C1 818331489 WGGNAYVARNTFIH-GEEKYZPCSA-N 306.425 3.185 10 10 DGCE CN(C)c1ccc(/C=C\CNC2CCC(N(C)C)CC2)cc1 817414092 RBMJIGSJWGDKCL-WAYWQWQTSA-N 301.478 3.228 10 10 DGCE CC[C@H](N[C@@H]1CCNC[C@@H]1C)c1ccc(C(F)(F)F)cc1O 817970465 WHNOJOHECDPVTQ-LEWSCRJBSA-N 316.367 3.450 10 10 DGCE C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(N(C)C)cc1)c1ccccc1O 828539653 SEZVTTLBLYSHBY-DOPJRALCSA-N 324.424 3.439 10 10 DGCE COC(=O)[C@H](C)N(C/C=C\c1ccc(N(C)C)cc1)C1CCC1 835050366 PHCQPIFTIOLXCE-XHPSBEMXSA-N 316.445 3.182 10 10 DGCE CO[C@@H](CCNCc1ccc(N(C)C)cc1C)C(F)(F)F 840940260 WOJGKHOAIPIPRM-AWEZNQCLSA-N 304.356 3.118 10 10 DGCE Cc1cc(N(C)C)ccc1CN1CCC[C@@H]([C@H]2CCCN2)C1 843043926 DCBWPCBMTLGFBX-IEBWSBKVSA-N 301.478 3.025 10 10 DGCE Cc1ccc(C)c(NC(=O)CN2CCCc3cc(CN)ccc32)c1 843349600 FTCAZZZQXWOOBC-UHFFFAOYSA-N 323.440 3.153 10 10 DGCE CC(=O)NCc1ccc(CN[C@@H](C)c2cc(F)ccc2O)cc1 850484146 DBYIRWCMZGZUSG-LBPRGKRZSA-N 316.376 3.018 10 10 DGCE Cn1cc(C[C@@H]2CCC[C@H]2N[C@H]2CCc3cccc(O)c32)cn1 850541290 UVXFYSGSGHELJR-BBWFWOEESA-N 311.429 3.114 10 10 DGCE COC[C@H](CN(C)c1ccc(OCc2ccccc2)cc1)OC 851966154 ZFLNLNJEGRHRNO-IBGZPJMESA-N 315.413 3.363 10 10 DGCE CC1(C)OC[C@H]2C[C@@]21NCc1ccc(N2CCCCC2)cc1 858228666 IXNNMMDLVJVINI-VQIMIIECSA-N 300.446 3.334 10 10 DGCE CC1(C)CCC[C@@](O)(CNC(=O)Nc2ccc(N)cc2)CC1 868164182 VUPJZDDSANJTKU-KRWDZBQOSA-N 305.422 3.112 10 10 DGCE CCO[C@H](C(=O)N[C@H](C)c1cc(OC)ccc1O)C1CCCC1 866763231 CMDSNJPERKJKKO-PXAZEXFGSA-N 321.417 3.173 10 10 DGCE CCOc1cc(F)cc(/C=C2\SC(=S)N(CC)C2=O)c1 864363671 TWCHPCPIOYBTOE-GHXNOFRVSA-N 311.403 3.446 10 10 DGCE C[C@@H](NCCOC(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 776891801 YHGLHDWMKAOFJX-CQSZACIVSA-N 324.440 3.128 10 10 DGCE CCCN(c1ccc(CN)cc1)[C@H](C)Cc1cccc(OC)n1 775140097 HZFOHSMFDUPWRQ-OAHLLOKOSA-N 313.445 3.397 10 10 DGCE COc1ccc2c(c1)CCN(Cc1cc3c(cc1O)CCC3)CC2 783979200 CUBRRRCAPFPAEW-UHFFFAOYSA-N 323.436 3.490 10 10 DGCE CC(C)(C)OC(=O)N(CCCNc1ccc(N)cc1)C1CC1 1959373220 FSIWIZUSVUWNHK-UHFFFAOYSA-N 305.422 3.470 10 10 DGCE Cc1cccc(CNc2ccc(C(N)=O)c(OC(C)C)c2)c1O 798085912 GAVQUSFKOCKWJE-UHFFFAOYSA-N 314.385 3.199 10 10 DGCE CO[C@@]1(C)C[C@@H](N(C)Cc2cc(F)cc(C(C)=O)c2O)C1(C)C 1167491009 KJKUOQXQQGBWBY-QAPCUYQASA-N 323.408 3.369 10 10 DGCE Oc1cccc(Br)c1CN[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21 1663121644 BWJHHUAOTGDHOF-AHMQBVQWSA-N 308.219 3.289 10 10 DGCE O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccco1 228577 UZFMEXMZCWIBAZ-YFHOEESVSA-N 323.135 3.048 10 10 DGCE CCOc1cc(NCc2c(O)cccc2O)ccc1[N+](=O)[O-] 1472887029 JTZAZSNQMJGYOW-UHFFFAOYSA-N 304.302 3.017 10 10 DGCE Cc1ccc(C(=O)NCc2ccc3cccnc3c2O)c(F)c1 1557122276 GCSHBPCQNTYDLW-UHFFFAOYSA-N 310.328 3.318 10 10 DGCE c1ccc(-c2ncc(CNCc3ccc4c(c3)CCO4)cn2)cc1 1620760742 QHPXORNRLLTBFK-UHFFFAOYSA-N 317.392 3.368 10 10 DGCE Cc1cnc(NC(=O)c2cc3cc(O)c(O)cc3s2)s1 1630517532 LQHGUUACTOVERW-UHFFFAOYSA-N 306.368 3.330 10 10 DGCE CC(C)[C@@H]1N(C(=O)Cc2ccc(O)c(O)c2)CC12CCCC2 1570309119 MAWBLIJYGAQCMW-KRWDZBQOSA-N 303.402 3.068 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@H]1c1ccc(F)cc1 1641050222 VPGZSMYTRKGXKY-HTUWBFOXSA-N 313.328 3.224 10 10 DGCE O=C(NCc1cccc(Cl)c1O)NC[C@@H]1C[C@H]2C=C[C@H]1CC2 1683284351 TYCPVTIRRQYKDA-OBJOEFQTSA-N 320.820 3.447 10 10 DGCE O=C(NCc1cc2ccccc2[nH]1)NCc1c(O)cccc1F 1686451815 VRTJWOSBUPRJSS-UHFFFAOYSA-N 313.332 3.012 10 10 DGCE CC[C@H]1CCN(CCN=[N+]=[N-])[C@@H](CNC(=O)OC(C)(C)C)C1 1962287635 LHHXKBQKHKKMFA-QWHCGFSZSA-N 311.430 3.312 10 10 DGCE NC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1O)N2 14473791 QPKZKAAFIFBJDI-VEVIJQCQSA-N 306.365 3.318 10 10 DGCE CC[C@@H]1CCCCN1C(=O)CCNCc1ccc(N(C)C)cc1 1857862664 AGBZEBFQKVMZOR-QGZVFWFLSA-N 317.477 3.023 10 10 DGCE COc1cc(Cl)cc(CN[C@@H]2CCCS[C@H]2C)c1O 1889266453 HWIKHPNNWBFQNV-JOYOIKCWSA-N 301.839 3.428 10 10 DGCE CN(Cc1ccc(N)cc1)C(=O)c1cnc(Cl)c(Cl)c1 2148888718 HIMUWJKDPIOVOM-UHFFFAOYSA-N 310.184 3.243 10 10 DGCE NCc1cc(F)c(N(Cc2ccccc2)C2COC2)cc1Cl 1974800695 IUNYCSRAMLQBTE-UHFFFAOYSA-N 320.795 3.343 10 10 DGCE C[C@H](O)C[C@@H](C)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 1977923865 ZYFMDQAWOKZZAH-KGLIPLIRSA-N 322.449 3.307 10 10 DGCE C[C@@H]1N(Cc2ccccc2)CC[C@@]1(O)c1ccc(N(C)C)cc1 1977939632 RPAAYVISZLKKIC-JXFKEZNVSA-N 310.441 3.235 10 10 DGCE Oc1c(Br)cc(Cl)cc1CNC[C@H]1C[C@@H]1F 1987847624 IFRSRAPNBRQDKS-LDWIPMOCSA-N 308.578 3.256 10 10 DGCE C[C@@H](Sc1nccs1)C(=O)Nc1cc(Cl)ccc1N 40676547 DASWVAFXYKTNFG-SSDOTTSWSA-N 313.835 3.498 10 10 DGCE C[C@H](N)c1ccc(N2CCn3ncc(Cl)c3C2)c(Cl)c1 2154039993 GXKFVXMNMZNAHE-VIFPVBQESA-N 311.216 3.230 10 10 DGCE CCN(c1ccc(CNC)c(Br)c1)[C@H](C)COC 300493048 KXNNBNNCUKXLKB-LLVKDONJSA-N 315.255 3.030 10 10 DGCE CNCc1cc(F)c(N(C)C[C@H]2CCCCS2)c(F)c1 718332419 JNPRGQZUKJEQPV-GFCCVEGCSA-N 300.418 3.406 10 10 DGCE CCc1nn(Cc2cccc(C)c2O)c(C(F)(F)F)c1O 2078876138 DSDHVMDFQDVQKJ-UHFFFAOYSA-N 300.280 3.232 10 10 DGCE Cc1ccc([C@@H](C(C)C)n2nc(C3CC3)c(N)c2N)c(O)c1 2079005247 XWVIJWKHPLLOON-MRXNPFEDSA-N 300.406 3.184 10 10 DGCE CCc1c(C2CCC2)nn(Cc2cc(OC)ccc2O)c1N 2079799640 FWIDZRYQYUYVFB-UHFFFAOYSA-N 301.390 3.058 10 10 DGCE COC[C@@]1(C)CCCN(c2cc(Cl)c(CN)cc2F)C1 2192195287 KHXJJKSWMIAYOG-HNNXBMFYSA-N 300.805 3.191 10 10 DGCE Oc1c(F)cc(Br)cc1CNC[C@@H]1C[C@H]1C(F)F 2041783537 KNWPDAPHPWEWMT-IMTBSYHQSA-N 324.140 3.285 10 10 DGCE C[C@H](O)c1ccc(N(C)Cc2ccon2)c(Br)c1 2042310656 OOXBHOZIHQDXSM-VIFPVBQESA-N 311.179 3.127 10 10 DGCE Oc1cccc(Br)c1CNC[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32 2070860115 ASYLRIVCRNCNPG-XVRCYRPSSA-N 308.219 3.146 10 10 DGCE Nc1cccc(Br)c1N[C@@H]1CCC[C@@]23C[C@@H](CO2)[C@@H]13 2088065109 DOUALGCNNYSPGF-AETLKFDBSA-N 323.234 3.401 10 10 DGCE C[C@@H](c1ccc(Cl)cc1O)N(C)[C@H]1COCCC1(F)F 2203345460 FVRQOHALKVWALX-ZANVPECISA-N 305.752 3.463 10 10 DGCE CN[C@H](c1ccc2c(c1)CCN2C)c1cocc1Br 2270461185 NQBNIVLFBSCGNV-OAHLLOKOSA-N 321.218 3.343 10 10 DGCE Cc1cc(N2CCN(Cc3ccccc3)CC2)ccc1[C@H](C)N 2243957810 BVZJNNUVDYCNLA-KRWDZBQOSA-N 309.457 3.337 10 10 DGCE CN(CC(C)(C)N(C)Cc1ccc(N)cc1)C(=O)OC(C)(C)C 2245146589 AKGTWCAXZJKVPC-UHFFFAOYSA-N 321.465 3.346 10 10 DGCE CSc1ncc(CNC(=O)c2cccc(Cl)c2N)s1 2269133017 IBYLCGNZQYZOOL-UHFFFAOYSA-N 313.835 3.031 10 10 DGCE Cc1ccc(/C=C/C(=O)N2C[C@H]3CCCN3c3ccccc32)cn1 492430067 SSXBKYYVJFHPNU-SXSDINLZSA-N 319.408 3.419 10 10 DGCE Cc1cc(C=CC(=O)N[C@@H]2CCOC2)c(C)n1-c1ccccc1 2303399499 VWKFZTPLQWVRRA-QGZVFWFLSA-N 310.397 3.012 10 10 DGCE COC(=O)C1CCN(N=Nc2ccc(OC)c(Cl)c2)CC1 2330173748 HBZUENIKRSQLHI-UHFFFAOYSA-N 311.769 3.232 10 10 DGCE CCN1N=C(C(F)(F)F)C(=Cc2c[nH]c3ccccc23)C1=O 2332128088 PJZRROMOUCAPQB-UHFFFAOYSA-N 307.275 3.332 10 10 DGCE CSc1cc(N2CCSCC(F)(F)C2)ccc1CN 2353850825 XPWOKBAZLGZMSB-UHFFFAOYSA-N 304.431 3.056 10 10 DGCE C[C@H]1SC(=S)N(c2ccc(Br)cc2)C1=O 3622078 NIKPYJOLPHRQBB-ZCFIWIBFSA-N 302.218 3.202 10 10 DGCE S=C(/C=C1/NCCc2cc3c(cc21)OCO3)Nc1ccccc1 102622093 UZWGWVDIKZVBMY-XNTDXEJSSA-N 324.405 3.341 10 10 DGCE C[C@@H]1SCC[C@@H]1NCc1cc(OC(F)(F)F)ccc1O 2361044297 WWOFGDNIIJKIRT-KWQFWETISA-N 307.337 3.274 10 10 DGCE C[C@H](N[C@@H]1CCN(C(=O)C2CCCCC2)C1)c1ccccc1O 183562347 MCALKBGYTBLMMO-GOEBONIOSA-N 316.445 3.224 10 10 DGCE Cc1ccc([C@@](C)(O)CN[C@H](C)c2ccc(F)c(F)c2O)o1 187734912 YYGJBERWAXMLFD-HWPZZCPQSA-N 311.328 3.130 10 10 DGCE CN(C)c1ccc([C@H](Nc2ccc(Cl)cc2)C(N)=O)cc1 37945196 SNNVOUFUOIBUDA-HNNXBMFYSA-N 303.793 3.045 10 10 DGCE C[C@H](N)Cc1cccc2c1ccn2CCOCC(F)(F)F 80355491 UEHQMKBCVUCUSD-NSHDSACASA-N 300.324 3.110 10 10 DGCE C[C@@H](NC(=O)OC(C)(C)C)C(=O)CCCc1ccc(N)cc1 1952751173 HLITWHQUAFUFBO-GFCCVEGCSA-N 306.406 3.074 10 10 DGCE CCCN(CC(F)(F)F)c1cc2c(cc1Cl)[C@@H](N)C(=O)N2 92751336 XZLHJXIHBGBGGT-LLVKDONJSA-N 321.730 3.071 10 10 DGCE COc1ccc(O)c([C@@H](C)NC[C@H]2CCCN(CC(C)C)C2)c1 248491935 IZIKNLMRWCXNOZ-HZPDHXFCSA-N 320.477 3.419 10 10 DGCE C[C@H](N)c1ccc(N2CC[C@]3(O)CCCC[C@H]3C2)cc1Cl 251532580 MYPCNZHBZWTIRW-GDZNZVCISA-N 308.853 3.491 10 10 DGCE COc1ccc(N(Cc2ncnn2CCF)[C@@H](C)C2CC2)cc1 281728854 WAKYDMHJOOJSQN-ZDUSSCGKSA-N 318.396 3.061 10 10 DGCE CC(=O)NCC[C@@H]1CCCN(Cc2cc(Cl)cc(C)c2O)C1 809778728 VIHJKLXAOVOYQS-AWEZNQCLSA-N 324.852 3.092 10 10 DGCE CN1CCc2cc([C@@H](N)c3c(Cl)cncc3Cl)ccc21 2163137181 AJLYSMYHEDVNLL-OAHLLOKOSA-N 308.212 3.429 10 10 DGCE CCCN(CCC)c1ccc(CN2CC[C@@H](CC(N)=O)C2)cc1 809785052 NESAVINDTVIAOC-KRWDZBQOSA-N 317.477 3.010 10 10 DGCE CCSCCNCc1cc(Br)cc(F)c1O 715748093 ZBFIJOOFONGAFF-UHFFFAOYSA-N 308.216 3.137 10 10 DGCE Oc1c(CNC[C@H]2COc3ccccc3O2)ccc2ccccc12 816531450 SBTFQLQLWKSUPE-INIZCTEOSA-N 321.376 3.475 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCC[C@@H]2C2CC2)cc1 823563661 DYBZJIBMHNGTJB-DZGCQCFKSA-N 314.389 3.405 10 10 DGCE C[C@@]12CN(Cc3ccc(N4CCOCC4)cc3)C[C@@H]1[C@@H]1C=C[C@H]2C1 824703138 WKAHUKAMMLHABV-JYRKZWEQSA-N 324.468 3.167 10 10 DGCE O=C(NCCc1c[nH]c2ccc(F)cc12)c1cc(O)cs1 735118868 VDNUOJMGUOKNJZ-UHFFFAOYSA-N 304.346 3.047 10 10 DGCE Cc1ccc(C(=O)N[C@H](C)C2CCC(F)(F)CC2)c(O)c1O 848346481 CUTBEVCOODKNGY-SNVBAGLBSA-N 313.344 3.350 10 10 DGCE Cc1ccc(C2=NO[C@H](C(=O)N[C@@H](C)c3ccccc3O)C2)cc1 913763404 FSHYEKGHAIKVFV-UGSOOPFHSA-N 324.380 3.071 10 10 DGCE C[C@H](N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)c1ccc2ccccc2c1O 756731084 DKYCWHASYRCSJD-FHKFTOANSA-N 324.424 3.205 10 10 DGCE COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2CCS[C@H](C)C2)c1 927032413 MZKIGKDHMQUKIG-NTZNESFSSA-N 309.431 3.114 10 10 DGCE COc1cc(CNCc2cncc(O)c2)c(O)c(C(C)(C)C)c1 922976307 UXIIBKIWTARRQN-UHFFFAOYSA-N 316.401 3.089 10 10 DGCE CC[C@H](C)[C@H](C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855224172 FHLYIXRCSWOJAI-SOUVJXGZSA-N 304.434 3.072 10 10 DGCE C[C@@H](NCCN(C)C1CCCCC1)c1cc([N+](=O)[O-])ccc1O 756454959 GUJYGAFTXZJOOW-CYBMUJFWSA-N 321.421 3.216 10 10 DGCE CN(C[C@@H]1C[C@H]1C1CC1)c1ccc(CO)c(Br)c1 698339735 RGLYGGIXFJTJGM-JSGCOSHPSA-N 310.235 3.424 10 10 DGCE CC(C)[C@H]1OCCC[C@H]1CNC(=O)N[C@@H](C)c1ccccc1O 868343111 MGXSZSTYAIBCRV-GRDNDAEWSA-N 320.433 3.204 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CC[C@]23CCOC3)c1 1118061573 IWNIHZPHNFZCQJ-HXUWFJFHSA-N 324.424 3.408 10 10 DGCE COc1cc(C)cc(CNC[C@@H]2CCC3(CCCC3)O2)c1O 895189197 BNORRHZYDUFJOX-HNNXBMFYSA-N 305.418 3.291 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1cccc([N+](=O)[O-])c1 1157041809 PAEDKLFWXFJBOM-UHFFFAOYSA-N 322.320 3.384 10 10 DGCE Cc1ccoc1CN(C)C(=O)c1cc2cc(O)c(O)cc2s1 1159473655 NRMNMVLIODXJGR-UHFFFAOYSA-N 317.366 3.486 10 10 DGCE Cc1ccc(O)c(CNC(=O)N[C@H]2CCCc3ccccc3C2)c1 1313365021 AYIPGABHWAKAGR-SFHVURJKSA-N 324.424 3.447 10 10 DGCE O=C(NCc1c(O)cccc1F)c1cc(O)c2ccsc2c1 1178413851 ZIWDQFDPAMTKAC-UHFFFAOYSA-N 317.341 3.382 10 10 DGCE O=C(NCc1c(O)cccc1F)c1ccccc1Br 1178409241 BMVVYMYAEGMMLJ-UHFFFAOYSA-N 324.149 3.224 10 10 DGCE CCCC(=O)NCC1(NCc2ccc(OC)c(C)c2)CCCC1 1268031357 YNGAZOLTUCHHJL-UHFFFAOYSA-N 318.461 3.322 10 10 DGCE CN(C)c1ccc(CNC(=O)c2ncc(Cl)cc2Cl)cc1 1352215513 NKPFSNJRLOKJIA-UHFFFAOYSA-N 324.211 3.384 10 10 DGCE [N-]=[N+]=N[C@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2O)C1 1912150718 XPFQFXVWKOXVCP-ZETCQYMHSA-N 301.133 3.224 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(O)nc2)cc1 1457805567 ZRMXMOHDIVSSGX-UHFFFAOYSA-N 307.353 3.447 10 10 DGCE C[C@@H](NC(=O)c1ccc2cnccc2n1)c1ccc(N(C)C)cc1 1529479934 NTJNWFSJMDSCTE-CYBMUJFWSA-N 320.396 3.187 10 10 DGCE CC(C)(C)OC(=O)Nc1ccc(O)c([C@](C)(N)C(F)F)c1 1535933275 VNRCTHGCNDGCSP-AWEZNQCLSA-N 302.321 3.178 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)/C=C\c1ccc[nH]1 1623549734 JTCWQDTUFXXNAQ-FLIBITNWSA-N 309.413 3.287 10 10 DGCE COc1ccc(/C=C/C(=O)NCc2cccc(Cl)c2O)cc1 1640405517 WBLXXUTUJPFIIF-JXMROGBWSA-N 317.772 3.384 10 10 DGCE CN1CCC(N(C)c2ccc(CNC3CC3)cc2Cl)CC1 163924605 YCGRRBMUZPAFLD-UHFFFAOYSA-N 307.869 3.122 10 10 DGCE CNC(=O)c1ccc(Cl)c(NCc2cccc(C)c2O)c1 164985032 CUOOHTFPLZINGL-UHFFFAOYSA-N 304.777 3.326 10 10 DGCE CCCC1=NN(CC(C)C)C(=O)/C1=C/c1ccc(C(=O)O)cc1 1865675353 CPWRHUHQPLPZQZ-XNTDXEJSSA-N 314.385 3.423 10 10 DGCE CN(C)c1ccc(CNCCC(=O)N(C)C2CCCCC2)cc1 1857863186 QSNALKWOKAGWII-UHFFFAOYSA-N 317.477 3.023 10 10 DGCE O=C(CCNCc1cc(Cl)ccc1O)OCc1ccccc1 1857869961 BZVQXGFHAQHYKY-UHFFFAOYSA-N 319.788 3.269 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CCS[C@@H]3CC[C@H]32)c1O 1966469160 BPBWXXXRJTWHBN-ZIAGYGMSSA-N 311.834 3.328 10 10 DGCE CCc1ncc(CNCc2cc(Cl)cc(Cl)c2O)[nH]1 1972543586 PEZMOJABSNDXOY-UHFFFAOYSA-N 300.189 3.274 10 10 DGCE C[C@H](CNC(=O)OC(C)(C)C)C[C@H](O)c1ccc(N(C)C)cc1 1977957431 FJHWZSDNXYYQLP-BBRMVZONSA-N 322.449 3.337 10 10 DGCE CC(C)(C)OC(=O)NCC1(F)CC(CNc2ccc(N)cc2)C1 1980174839 UTKNMAWQOKQHJX-UHFFFAOYSA-N 323.412 3.324 10 10 DGCE CCNCc1ccc(N(CC)CCF)c(Br)c1 2012678077 NSHFFCQZNXJCJS-UHFFFAOYSA-N 303.219 3.354 10 10 DGCE Oc1ccc(Br)cc1CN[C@H]1C[C@H]2C[C@H]1C[C@@H]2F 2039899972 OEOIORCNWSNDNA-PSJXJDHFSA-N 314.198 3.381 10 10 DGCE CSC1CC(N(C)c2ccc(CO)cc2Br)C1 706965394 XUCXYCRPASOTFB-UHFFFAOYSA-N 316.264 3.272 10 10 DGCE O=C1N=C(N2CCOCC2)SC1=Cc1cccc2ccccc12 2053494371 SDHCZYNNLSNGJM-UHFFFAOYSA-N 324.405 3.142 10 10 DGCE C[C@H](NCC1(CNC(=O)OC(C)(C)C)CC1)c1ccccc1O 877758060 HORXHBBDHZAFGU-ZDUSSCGKSA-N 320.433 3.348 10 10 DGCE CN(Cc1ccc(F)c(F)c1O)C1CCP(C)(=O)CC1 2193533734 LODCQFBBBUJWKA-UHFFFAOYSA-N 303.289 3.258 10 10 DGCE NCc1cc(F)c(N2C[C@@H]3CC[C@H](C2)C3(F)F)cc1Cl 2183415335 AMQGLMDHDUTFMX-AOOOYVTPSA-N 304.743 3.419 10 10 DGCE CCC[C@H]1COCCN1Cc1c(O)cccc1Br 2050898634 XPDFLXBIHNNRAX-NSHDSACASA-N 314.223 3.156 10 10 DGCE CN(CC[C@H]1CCOC1)Cc1ccc(Br)cc1O 2075514887 KSBLNIWLDBMHNJ-NSHDSACASA-N 314.223 3.013 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)c2ncccc2Br)CC1 2099336582 LXUIAXKDZGNFLB-SECBINFHSA-N 324.182 3.149 10 10 DGCE Cc1ccc(Br)c(C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)n1 2112725400 VOEXMASJCZGDIK-SECBINFHSA-N 324.182 3.067 10 10 DGCE CC[C@@H]1C[C@@H]1CNCc1c(Br)ccc(OC)c1O 2220463077 WBFQWAPSPJCJIX-NXEZZACHSA-N 314.223 3.299 10 10 DGCE Cc1nc2c(s1)CCN(c1ccc(CN)cc1Cl)CC2 2287059790 RDBYUINATNXSHK-UHFFFAOYSA-N 307.850 3.169 10 10 DGCE CN1CCc2cc(C=C3N=C(c4cccs4)OC3=O)ccc21 2303181727 ZIUGPWKBVWUUQP-UHFFFAOYSA-N 310.378 3.085 10 10 DGCE Cc1ccc(CNCc2cccc(N)c2)c(O)c1Br 2352694202 UCKTXGCNXNWUJS-UHFFFAOYSA-N 321.218 3.335 10 10 DGCE Cc1nc2ccccc2nc1CN(C)c1ccc2c(c1)OCO2 178878813 WKIJPCDYWQSFLG-UHFFFAOYSA-N 307.353 3.303 10 10 DGCE NCc1ccc(N(CCO)Cc2ccccc2)c2ccccc12 304065907 RGVQVCSAOPRRHK-UHFFFAOYSA-N 306.409 3.297 10 10 DGCE CN1CCCc2cc(N3CCN(Cc4ccccc4)CC3)ccc21 71702542 UWRPDKYUGXXRRI-UHFFFAOYSA-N 321.468 3.391 10 10 DGCE CCN(Cc1cccs1)[C@@H](C)C(=O)Nc1ccc(N)cc1 48970014 SZZGZTAXZWZELD-LBPRGKRZSA-N 303.431 3.179 10 10 DGCE COc1cc(OC)c(N2CCN[C@H](CC(C)C)C2)cc1Cl 86129562 OYXUQZKPVMAVKJ-GFCCVEGCSA-N 312.841 3.182 10 10 DGCE O=C(O)/C=C/c1ccc(N2CC=CCC2)c(Br)c1 236466389 XNZPYQBYKWMSSB-FNORWQNLSA-N 308.175 3.313 10 10 DGCE COc1cccc(CN(C[C@H]2CCCO2)C2CCCC2)c1O 93666030 LHWLAFMORLUIHR-MRXNPFEDSA-N 305.418 3.324 10 10 DGCE CC[C@@H](c1cc(Br)ccc1O)N1CCC[C@H]1CN 252682404 BXNIIPLYTYLNRQ-AAEUAGOBSA-N 313.239 3.029 10 10 DGCE CC[C@H](N[C@@H](C)c1cc2c(cc1O)CCCC2)[C@@H](O)C(F)F 296425261 LPLQVVSZJSRZRM-JMPLFQLZSA-N 313.388 3.326 10 10 DGCE CN(C)c1ccc(CN2CCC3(C2)Oc2ccccc2O3)cc1 808793068 WWZFELBAAQDNNL-UHFFFAOYSA-N 310.397 3.126 10 10 DGCE Cc1cc(Cl)cc(CNCc2c3c(nn2C)CCCC3)c1O 812773720 OKIASRXXPOKZRY-UHFFFAOYSA-N 319.836 3.256 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)/C=C\[C@H]1CCCO1 819524488 MNQLSUPYUFAWFP-BLIJAFNYSA-N 303.402 3.256 10 10 DGCE COc1ccc(N2CC[C@H](CN[C@@H]3CC[C@H]3SC)C2)cc1 822494442 OTVJNGIIJLHSQL-KBRIMQKVSA-N 306.475 3.005 10 10 DGCE Cc1cc(O)c(CN2CC[C@H]([C@@H](O)C(F)(F)F)C2)cc1Cl 826097029 MNGMTFPJIVCAMD-TVQRCGJNSA-N 323.742 3.099 10 10 DGCE C[C@@H]1CN(C)CC[C@@H]1N(C)C/C=C\c1ccc(N(C)C)cc1 835054459 VTHZOHJBQCIHMV-VAQJZUQRSA-N 301.478 3.038 10 10 DGCE CN(C)c1ccc(/C=C/CNCc2nn(C)c3ccccc23)cc1 835048563 VGFZPRRPROVMOL-VOTSOKGWSA-N 320.440 3.442 10 10 DGCE COC(=O)c1cnc(SC[C@@H]2CCC3(CCC3)CO2)s1 917778386 RFSTUSBJIFLOSV-JTQLQIEISA-N 313.444 3.371 10 10 DGCE CC(C)Oc1cccnc1C(=O)NCc1cc(Cl)ccc1O 846477893 WWAVLJUREQTGBO-UHFFFAOYSA-N 320.776 3.158 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)[C@H]2C[C@H]2C2CCCC2)c1 845834344 SLRVMJDGJJKXGW-UVBJJODRSA-N 303.402 3.404 10 10 DGCE COc1cc(C)cc(CN(C)[C@H]2C[C@](C)(OC)C2(C)C)c1O 754736878 ONVIWAIOOLOVSE-YJBOKZPZSA-N 307.434 3.345 10 10 DGCE CC[C@H](NC[C@H]1CNCCC1(F)F)c1cc(Cl)ccc1O 925777874 RGYSPTAYRLMUKL-MFKMUULPSA-N 318.795 3.331 10 10 DGCE COc1cccc(CN[C@H](c2ccccc2)[C@@H](O)C(C)C)c1O 850395778 YSLMYPRHNKKIAC-MSOLQXFVSA-N 315.413 3.249 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1C[C@@H](O)C12CCC2 850388793 PLOUBMFZSWKFLU-VXGBXAGGSA-N 302.201 3.092 10 10 DGCE Cc1cc(Br)c(O)c(CNC2CC(F)(F)C2)c1 758595659 BPORPWMWVQHHSI-UHFFFAOYSA-N 306.150 3.350 10 10 DGCE COc1ccc(O)c([C@@H](C)NCCSc2ccncc2)c1 930214296 NETWVIIQTSTOKY-GFCCVEGCSA-N 304.415 3.239 10 10 DGCE CCCN(CCC)c1ccc(CN2CCO[C@H](COC)C2)cc1 769461208 RDFRGTZWLCHMCH-IBGZPJMESA-N 320.477 3.160 10 10 DGCE C[C@@H]1CC[C@H](N[C@H](C)c2ccc(Cl)c(Cl)c2O)CN1 863544770 AQHCDSIKWIQGHJ-BBBLOLIVSA-N 303.233 3.490 10 10 DGCE COc1ccc(N(CCc2nnc(C)o2)CCC(C)C)cc1 930288870 MDGJAERUIPAWGN-UHFFFAOYSA-N 303.406 3.482 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)Nc1cccc(Br)c1 243357977 LYRADEHRLHPWCQ-UHFFFAOYSA-N 322.158 3.042 10 10 DGCE COC(=O)c1nc(NCc2ccc(N(C)C)cc2C)sc1C 764831410 QDMUPSFGNFNKRJ-UHFFFAOYSA-N 319.430 3.225 10 10 DGCE CN(CCCN=[N+]=[N-])C(=O)C1CC(OCc2ccccc2)C1 1958668670 NOETZLNROWUHAJ-UHFFFAOYSA-N 302.378 3.141 10 10 DGCE CCCCC1(C(=O)N2CCOc3cc(N(C)C)ccc32)CC1 1126522756 HOEVAFXISDWMOH-UHFFFAOYSA-N 302.418 3.448 10 10 DGCE Fc1ccc(NC[C@@H]2CCN(c3ccc4c(c3)OCO4)C2)cc1 76439636 UJFVZZQFECDUIR-ZDUSSCGKSA-N 314.360 3.493 10 10 DGCE Cc1ccn2cnc(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)c2c1 1128241579 JLIKFTXPOZDGLO-AWEZNQCLSA-N 322.412 3.200 10 10 DGCE c1cc(N2CCCC2)ccc1CN[C@@H]1CCC[C@H]2OCC[C@H]12 1200972189 WKPNPGMTHUORIB-GUDVDZBRSA-N 300.446 3.334 10 10 DGCE Cc1cc(CN(C)c2ccc(CO)cc2Br)ccn1 703164583 RJMVVLPOXIHRIJ-UHFFFAOYSA-N 321.218 3.281 10 10 DGCE c1cc2c(cc1CN[C@H](C1CC1)[C@H]1CCCCO1)CCCO2 1202993742 QAXCTXSZDAGFRF-RTBURBONSA-N 301.430 3.449 10 10 DGCE CCCN[C@]1(CO)C[C@@H](C)C[C@@H](Sc2nccs2)C1 2118779783 YNCQVDYHUKMYJT-OUCADQQQSA-N 300.493 3.155 10 10 DGCE CO[C@H]1CC[C@@H](NCc2ccc(N(C)C)cc2C(F)(F)F)C1 1324976941 UKMVBEDRTVUMKV-OCCSQVGLSA-N 316.367 3.429 10 10 DGCE CCC(=O)N1CCC(CC)(NCc2ccc(OC)c(C)c2)CC1 1502475459 BXRWMAXLCOHJHX-UHFFFAOYSA-N 318.461 3.274 10 10 DGCE CCOc1ccc(Cl)c(NC(=O)c2cccc(O)c2O)c1 1449930083 HMXWOHLZIWQYMS-UHFFFAOYSA-N 307.733 3.402 10 10 DGCE c1cc2c(cc1CN[C@@H]1CCN(CC3CCCC3)C1)CCCO2 1474030766 NKCJZPKZTNNVSA-LJQANCHMSA-N 314.473 3.366 10 10 DGCE O=C(c1cc(-c2ccccc2F)on1)N1Cc2cccc(O)c2C1 1558034372 DMBWTSRVSQBENL-UHFFFAOYSA-N 324.311 3.342 10 10 DGCE C/C(=C\c1cccc(Cl)c1)C(=O)NCc1c(O)cccc1O 1558533901 MSTORITXQMYZBJ-DHZHZOJOSA-N 317.772 3.471 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)Nc2ccc3c(c2)COC3)cc1 1636320242 IDMHMQZTAXJYPT-UHFFFAOYSA-N 310.313 3.132 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)[C@@H](C)CCN(C)C 1568137436 RSHTWWCNQMXMPO-HNNXBMFYSA-N 306.450 3.109 10 10 DGCE Cc1ccc(O)c(CNC(=O)COc2cc(C)ccc2Cl)c1 1640796791 PHWIRCWHJXLILJ-UHFFFAOYSA-N 319.788 3.358 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)[C@@H]1CC[C@H]2CCCCN12 1647794933 USUAYJIPOJFESX-QAPCUYQASA-N 324.424 3.179 10 10 DGCE COc1ccc(N(C)C[C@@H]2COC3(CCCCC3)O2)cc1OC 1653261365 VTDRSQQEKXIGAK-OAHLLOKOSA-N 321.417 3.216 10 10 DGCE Cc1nc2ccc(C(=O)N[C@@H](C)c3ccccc3O)cc2nc1C 1587446936 CUPUPJLKPBGDTH-ZDUSSCGKSA-N 321.380 3.443 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCC[C@@H](C)C1 1673738101 UYHINURUDMNYPD-GDBMZVCRSA-N 317.477 3.434 10 10 DGCE CCNCc1ccc(N(C)CCOCC)c(C(F)(F)F)c1 163732338 GHHVYMDMQRGWJK-UHFFFAOYSA-N 304.356 3.288 10 10 DGCE CCS(=O)(=O)c1ccccc1NCc1cccc(C)c1O 165004063 BBXVKFSTAIORKW-UHFFFAOYSA-N 305.399 3.106 10 10 DGCE O=C(O)c1ccc(N=c2[nH]nc(C3CCCCC3)s2)c(O)c1 1859858195 GOVXPDGZONMTJB-UHFFFAOYSA-N 319.386 3.155 10 10 DGCE CC(=O)Nc1ccc(NN=NCc2ccc3c(c2)OCO3)cc1 1860493810 DCECCXXEFUNAIA-UHFFFAOYSA-N 312.329 3.353 10 10 DGCE CCCN1N=C(C)/C(=C\c2cc(Cl)c(O)c(OC)c2)C1=O 1865674922 FUFXQWTXNQIADX-IZZDOVSWSA-N 308.765 3.066 10 10 DGCE CC[C@H](N[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1O 1938283999 WZSCMUADXRDJIB-YDHLFZDLSA-N 320.433 3.489 10 10 DGCE Cc1cc([C@H](NN)c2ccccc2O)sc1Br 1942400175 HDSKKJADMNGGOG-LLVKDONJSA-N 313.220 3.077 10 10 DGCE Oc1c(Br)cccc1CNC[C@@H](F)C(F)(F)F 1876095336 WWLIQIHTOTYADI-MRVPVSSYSA-N 316.092 3.145 10 10 DGCE N[C@H]1CN(c2ccc(OCc3ccccc3)cc2)C[C@@H]1C(F)F 1899861727 KGRLYCMOMRRQIY-IRXDYDNUSA-N 318.367 3.294 10 10 DGCE C[C@H](O)c1ccc(N2CC[C@@](C)(F)C2)c(Br)c1 1946967013 CWABJTBCDSVDDH-TVQRCGJNSA-N 302.187 3.441 10 10 DGCE CCC[C@H](CNC(=O)OC(C)(C)C)NCc1c(C)cccc1O 1976875982 RPKIVUAPCMRTEY-CQSZACIVSA-N 322.449 3.484 10 10 DGCE Cc1cccc(O)c1CN[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C 1976875169 FOXXWCLZGLTVLL-HUUCEWRRSA-N 320.433 3.236 10 10 DGCE CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)c1ccc2c(c1)CCN2C 1977959136 QLUZIHXAWINYHQ-ZBFHGGJFSA-N 320.433 3.016 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1Cc2ccccc2N(CCN=[N+]=[N-])C1 1982240410 BQPVQWDDMDHCLB-CYBMUJFWSA-N 317.393 3.253 10 10 DGCE COC(=O)C(C)(C)CSc1ncc(CNCC(C)C)s1 2155328309 ITEPGCOFSTXYHQ-UHFFFAOYSA-N 316.492 3.180 10 10 DGCE CCCN[C@@H](C)c1cnc(SCC(=O)N(CC)CC)s1 2159808185 VZPOLEYYPLGJJN-NSHDSACASA-N 315.508 3.164 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)c2ccc(Cl)nc2Cl)C1 701318446 GSBPXNHNDBUJCC-SSDOTTSWSA-N 300.149 3.303 10 10 DGCE C[C@@H](N)c1ccc(N2CCO[C@@H](C(F)(F)F)C2)cc1Cl 698813893 QEEDZCGSAAYSQA-PRHODGIISA-N 308.731 3.127 10 10 DGCE CN(CC[S@@](C)=O)c1ccc(CNC(C)(C)C)c(Cl)c1 399084640 MMXJZWWKQNYBOU-HXUWFJFHSA-N 316.898 3.043 10 10 DGCE C[C@@H](c1cc(Cl)ccc1O)N1CCN(C[C@@H](C)F)CC1 2189987195 YZVSANFQOXAWEC-NEPJUHHUSA-N 300.805 3.082 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(Cc2nscc2Br)C1 2211137886 MFZMDFLQOYOIGB-ZETCQYMHSA-N 302.201 3.180 10 10 DGCE CC1(C)[C@@H]2C[C@H]1CN(c1ccc(CN)cc1Br)C2 2221709283 NJFVASAJRJAZCK-TXEJJXNPSA-N 309.251 3.390 10 10 DGCE [N-]=[N+]=NCCCN[C@@H](C(=O)O)c1cc(Cl)c(O)c(Cl)c1 2296258155 SOEKBSUJIKWGQP-SECBINFHSA-N 319.148 3.115 10 10 DGCE COCCOCCN(C)[C@@H](C)c1cc(Cl)c(C)cc1O 2286438102 YDGQPSVAZGHRQG-LBPRGKRZSA-N 301.814 3.010 10 10 DGCE O=C1N=C(N2CCc3ccccc3C2)SC1=Cc1cccnc1 2297124271 HLCIPSAWSJSQGF-UHFFFAOYSA-N 321.405 3.110 10 10 DGCE CCN(C(=O)C=Cc1cnc2ccccc2n1)c1ccncc1 2297599210 QWTDUZSEUTWHRL-UHFFFAOYSA-N 304.353 3.091 10 10 DGCE CCN(Cc1ccc(N)cc1)c1cc(Cl)ccc1C(N)=O 62785975 OKHCCGAJANZRFL-UHFFFAOYSA-N 303.793 3.048 10 10 DGCE Oc1ccccc1C1=NN(c2ccccc2)[C@](O)(C(F)(F)F)C1 20446021 UYKFPRIDDUAPJS-OAHLLOKOSA-N 322.286 3.258 10 10 DGCE Cc1ccc(O)c([C@@H](C)Nc2ccccc2S(C)(=O)=O)c1 37075967 WXECPDQKPLBQML-GFCCVEGCSA-N 305.399 3.277 10 10 DGCE C[C@@H](NCC1(C)OCCCO1)c1ccc2ccccc2c1O 190670576 SUUXWZFRQZEPTI-CYBMUJFWSA-N 301.386 3.349 10 10 DGCE COc1cccc([C@@H]2CN(Cc3cc(C)ccc3O)CCO2)c1 93080259 PGHRJELOFSJKNX-IBGZPJMESA-N 313.397 3.283 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)C(=O)NCc1ccccc1Cl 96642813 FGMDRTQUPHWCIO-LLVKDONJSA-N 319.788 3.246 10 10 DGCE COc1ccc(CCN[C@H](C)c2c(C)cc(C)cc2O)cn1 527989883 HMAYTWOCLCAGKZ-CQSZACIVSA-N 300.402 3.306 10 10 DGCE CCCc1occc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 282363211 OKLLSQLJCCWIFZ-LLVKDONJSA-N 303.358 3.004 10 10 DGCE CN(Cc1ccccc1O)C(=O)N[C@@H]1CCc2ccccc2C1 299505809 AIEPYYFMDXEEJY-QGZVFWFLSA-N 310.397 3.091 10 10 DGCE Oc1cc2c(cc1CN1CC3(CCC3)[C@H]1[C@@H]1CCCO1)CCC2 811791954 KOKILQUODSREPC-RBUKOAKNSA-N 313.441 3.414 10 10 DGCE O=[N+]([O-])c1ccc(O)c(CN[C@H]2C[C@@]2(F)c2ccccc2)c1 818230261 OXLKQMOHEOUWOH-JKSUJKDBSA-N 302.305 3.027 10 10 DGCE Oc1ccc(-c2ccccc2)cc1CN1CC[C@@](O)(C(F)F)C1 824726259 JXXGFIBMBVZTLD-SFHVURJKSA-N 319.351 3.261 10 10 DGCE Cc1cnccc1/C=C/C(=O)NCCCSc1nccs1 823298233 OSEFGNBZTOPLEV-ONEGZZNKSA-N 319.455 3.158 10 10 DGCE C[C@@H](CC(C)(C)NC/C=C/c1ccc(N(C)C)cc1)C(=O)O 904019193 SARLFLIRTFCECO-UZYOAWRESA-N 304.434 3.245 10 10 DGCE CC(C)(C)OC(=O)N[C@@H](CCc1ccc(N)cc1)C(F)F 1953011295 XLEFLZRAFRGRBI-LBPRGKRZSA-N 300.349 3.360 10 10 DGCE COc1cccc(CNC(=O)N[C@H]2CCCC[C@H]2C(C)C)c1O 745803664 RKYHMCHABSBDDY-GJZGRUSLSA-N 320.433 3.415 10 10 DGCE O=C(O)/C=C/c1ccc(N2CC[C@@H](F)C2)cc1Br 689862980 IHPBWRSESQKKAJ-XCRNYIDWSA-N 314.154 3.095 10 10 DGCE COc1cc(C)cc(CN2CCOC[C@@H]2CC2CCC2)c1O 840093909 KOBZPAIBSHGUDW-INIZCTEOSA-N 305.418 3.100 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(CNc2ccc(N)cc2)C1 1897667292 JRRRMDFLQGLQKR-UGSOOPFHSA-N 317.433 3.328 10 10 DGCE C[C@@H](CC(=O)NCc1c(O)ccc2c1CCCC2)c1cccnc1 743718414 OKSGGYFNWPYQSQ-AWEZNQCLSA-N 324.424 3.476 10 10 DGCE CN(CCCN=[N+]=[N-])[C@@H]1CC[C@@H]1NC(=O)OCc1ccccc1 1954206421 GGNSHBYKSRENPW-LSDHHAIUSA-N 317.393 3.076 10 10 DGCE CC[C@@H](NC[C@@H]1CNCCC1(F)F)c1ccc(N(C)C)cc1 925782693 MOZOFVJXCUVAFM-GOEBONIOSA-N 311.420 3.038 10 10 DGCE C[C@@H]1C[C@@H]1COC(=O)c1csc(Cc2ccc(N)cc2)n1 859633302 XNCRRLPULXGBIA-ZYHUDNBSSA-N 302.399 3.129 10 10 DGCE CCOc1cccc(CNC[C@@H]2Cc3ccccc3CO2)c1O 858211416 HWVPWJIEJMUVDR-KRWDZBQOSA-N 313.397 3.022 10 10 DGCE C[C@@H](NC1CCC(C)(N(C)C)CC1)c1cc([N+](=O)[O-])ccc1O 866517832 OMRHILKVYXZGDF-SFYCDEOASA-N 321.421 3.214 10 10 DGCE COC[C@@H]1CCCN1c1ccc([C@H](C)N)c(Br)c1 696544581 HLFXFPYKEAOXDM-JQWIXIFHSA-N 313.239 3.084 10 10 DGCE Nc1ccc(C[C@@H](O)Cc2sccc2Br)cc1 696543661 VNMAOYNXBZNOSA-LLVKDONJSA-N 312.232 3.239 10 10 DGCE CC(C)[C@@H]1CCCC[C@H]1NC(=O)/C=C\c1ccc(O)c(O)c1 779514207 ZNIALPRYGZPPTJ-RLKNZVFVSA-N 303.402 3.442 10 10 DGCE CCOc1cccc(CN2CCC[C@H]([C@H]3CCOC3)C2)c1O 770375004 PPTGMSRIDAEECC-HOCLYGCPSA-N 305.418 3.039 10 10 DGCE C[C@H]1[C@H](C(F)(F)F)CCCN1Cc1cc2c(cc1O)OCO2 776012676 IPWVUHSOKOGNNH-GXSJLCMTSA-N 317.307 3.284 10 10 DGCE CCOC[C@H](C)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 778108012 TVPNBDNYXBIDEP-ZDUSSCGKSA-N 300.402 3.249 10 10 DGCE Cc1cncc(/C=C/C(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)c1 773990120 CAHRNKUGNIDKKI-ONEGZZNKSA-N 323.352 3.209 10 10 DGCE CO[C@@H](C)[C@H](C)N[C@H](C)c1cc(Br)c(F)cc1O 786574836 GQQRLOJFGBESKX-YIZRAAEISA-N 320.202 3.368 10 10 DGCE Oc1cc2c(cc1CN1CCC([C@H]3CCOC3)CC1)CCC2 784007551 OALXHXMPYIXKMA-KRWDZBQOSA-N 301.430 3.129 10 10 DGCE C[C@H]1CN(c2ccc([C@@H](C)N)cc2Br)[C@@H](C)CO1 217475015 YGKQBZDYTCPKSZ-GARJFASQSA-N 313.239 3.082 10 10 DGCE Cc1cccc(CNC(C)(C)CCNC(=O)OC(C)(C)C)c1O 397463385 OUCLTSGIJOJCGH-UHFFFAOYSA-N 322.449 3.484 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N1CCCCc2sccc21 1139384689 YJDWKGXZDUNMLH-UHFFFAOYSA-N 303.383 3.071 10 10 DGCE Nc1cccc(Br)c1N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 712926885 VCENXZUHKFEEAI-OWYVNGRQSA-N 323.234 3.401 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H]1C=CCC1 1300453498 HBJKINKHLKSZIJ-MRXNPFEDSA-N 308.381 3.355 10 10 DGCE CSCC(C)(C)NCc1cc(Cl)cc(C(C)=O)c1O 1308134687 RAALVCKIJFHCKO-UHFFFAOYSA-N 301.839 3.479 10 10 DGCE Cc1cccc(C)c1CN(C)C(=O)c1c(F)ccc(O)c1O 1306902821 XMZWUAQEXICZQS-UHFFFAOYSA-N 303.333 3.126 10 10 DGCE CCC(C)(CC)C(=O)NC[C@H](C)NCc1ccc(OC)c(C)c1 1266995141 CGMNXCHTBZEZGA-HNNXBMFYSA-N 320.477 3.424 10 10 DGCE CCN(CC)c1ccc(CNC(=O)C(=O)c2cccc(C)c2)cc1 1357724035 FJRJVLIHKIAYSD-UHFFFAOYSA-N 324.424 3.340 10 10 DGCE CO[C@H]1CCN(Cc2cc(Br)cc(C)c2O)[C@H]1C 1914344968 AAAXIZBLOJGPDC-GWCFXTLKSA-N 314.223 3.072 10 10 DGCE COc1ccc(CNC[C@H]2C[C@H](NC(=O)CC(C)C)C2)cc1C 1506873056 ZQNQKUBBAOAOPW-QAQDUYKDSA-N 318.461 3.034 10 10 DGCE CC/C=C\Cn1c(C2CC2)nnc1N(C)Cc1ccccc1O 1514203578 XZMQVXZXCFYXLG-DAXSKMNVSA-N 312.417 3.464 10 10 DGCE CN(C)c1ccc(CNC(=O)c2coc(Br)c2)cc1 30523602 UDIVLRNUDOYVRO-UHFFFAOYSA-N 323.190 3.038 10 10 DGCE Cc1cc2nc(NCc3cc(O)ccc3O)c3ccccc3n2n1 1472868910 ARNJOURKLAOLIW-UHFFFAOYSA-N 320.352 3.214 10 10 DGCE Cc1cnccc1/C=C/C(=O)Nc1c(Cl)ccc2nonc12 1543806022 RMJQZVNQKBOCNF-GORDUTHDSA-N 314.732 3.232 10 10 DGCE COc1ccc(CN[C@H](C)CCNC(=O)C2CC(C)C2)cc1C 1714463324 BGWMNLYNBOSURJ-GNHJJJEISA-N 318.461 3.034 10 10 DGCE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1[C@@H](N)c1ccccc1O 1930750750 YAPXAJICCRBLQL-UGFHNGPFSA-N 306.406 3.038 10 10 DGCE CC(=O)Oc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1 13119203 BOFBRFGLVZDACG-PDGQHHTCSA-N 320.348 3.418 10 10 DGCE C[C@H](NC[C@@H]1CCCS1)c1ccc(N2CCOCC2)cc1 168652860 ZGXQELARTZCPSZ-YOEHRIQHSA-N 306.475 3.069 10 10 DGCE O=C1/C(=C\c2cccs2)C(C(F)(F)F)=NN1c1ccccn1 1865670604 INVUOVCHVGVECF-NTMALXAHSA-N 323.299 3.492 10 10 DGCE CN(C[C@@H]1CC1(F)F)c1ccc(CO)c(Br)c1 1948054752 GZFSGBGVPHDIBG-VIFPVBQESA-N 306.150 3.033 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CCS[C@H]3CC[C@H]32)c1O 1966469158 BPBWXXXRJTWHBN-KGLIPLIRSA-N 311.834 3.328 10 10 DGCE CC1(C)[C@H](C(=O)O)CCN1Cc1cc(Cl)cc(Cl)c1O 1968222125 DFZFTHOTPVWBKW-JTQLQIEISA-N 318.200 3.384 10 10 DGCE C[C@@H](NCc1cc(Br)cc(F)c1O)[C@H]1CC1(F)F 1972721618 YUYLFWOHLXSKTE-HZGVNTEJSA-N 324.140 3.427 10 10 DGCE CC(C)(C)OC(=O)NCCC1([C@H](N)c2ccccc2O)CCC1 1976861118 RISLVJYXSWOPDY-OAHLLOKOSA-N 320.433 3.477 10 10 DGCE CC(C)(C)OC(=O)N1CC2(CCCN(c3ccc(N)cc3)C2)C1 1977964972 BVTKLOMZJOVITA-UHFFFAOYSA-N 317.433 3.106 10 10 DGCE C[C@H](N)c1ccc(N2C[C@@H](F)C[C@H]2C)cc1Br 1997690908 GATARPSHFJSYBE-UTLUCORTSA-N 301.203 3.406 10 10 DGCE Oc1cccc(Br)c1CNC[C@@H]1CCCCCO1 2035196200 BNDZNXHCMJSQGL-NSHDSACASA-N 314.223 3.204 10 10 DGCE C[C@@H](O)CC(C)(C)CNCc1cccc(Br)c1O 304359740 XQQKCHWYCVLZHE-SNVBAGLBSA-N 316.239 3.041 10 10 DGCE C[C@@H](c1cc(Br)ccc1O)N(C)[C@@H]1CCCOC1 401554542 CAOJSGFOZCGNGC-CMPLNLGQSA-N 314.223 3.327 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(S(=O)(=O)C2CCCCCC2)CC1 2161422816 LEJMEVSFLDFBIP-GFCCVEGCSA-N 300.428 3.204 10 10 DGCE NCc1ccc(N2CCO[C@@H](c3ccsc3)C2)c(Cl)c1 2171860912 VRNXIEVXPOMZDQ-OAHLLOKOSA-N 308.834 3.438 10 10 DGCE CN[C@H](C)c1ccc(N2CC[C@@H](F)C2)c(Br)c1 689845995 CRZZXKFJQFEWEP-MWLCHTKSSA-N 301.203 3.278 10 10 DGCE CCCN(CC(F)F)c1ccc(CN)c(Br)c1 386105394 PKMSHXNFPSYJPI-UHFFFAOYSA-N 307.182 3.389 10 10 DGCE C[C@H](N[C@H]1CC[C@@H](O)CC1)c1cc(Br)ccc1O 2062910195 WGWLEJDWPLQMPP-ZMLRMANQSA-N 314.223 3.109 10 10 DGCE C[C@@H](NCc1cccc(Br)c1O)[C@@H]1CC1(F)F 840967873 KNGVXQUYWXSXBA-APPZFPTMSA-N 306.150 3.288 10 10 DGCE CC(C)Cc1cc(C(=O)O)n(Cc2cc(Cl)ccc2O)n1 2069882853 TXFNJCVMPDQZAA-UHFFFAOYSA-N 308.765 3.187 10 10 DGCE CCc1nn([C@H](CC)c2ccc(C)cc2O)c(Cl)c1C(N)=O 2079126686 CBGKKEXRVZDYSC-GFCCVEGCSA-N 321.808 3.211 10 10 DGCE CC1(c2c(C3CC3)nn(Cc3cccc(F)c3O)c2N)CC1 2079694364 PRRDFJARHBAONJ-UHFFFAOYSA-N 301.365 3.287 10 10 DGCE Oc1c(F)cc(F)cc1CN[C@H]1CS[C@@H](C(F)(F)F)C1 2189247231 XKMZQUIMXNFMEY-PSASIEDQSA-N 313.291 3.196 10 10 DGCE C[C@@H](O)c1cc(F)c(N2CCSCC(F)(F)C2)c(F)c1 2194515144 YSGCURJMLHNOTG-MRVPVSSYSA-N 309.328 3.207 10 10 DGCE CC[C@H](O)CN(CC)c1ccc([C@H](C)O)c(Br)c1 2044544197 QRVUPAWASILPFZ-JQWIXIFHSA-N 316.239 3.100 10 10 DGCE C[C@H]1CO[C@@H](CN(C)Cc2ccc(Br)cc2O)C1 2047489348 AZRUZTQZNWNSIV-ZWNOBZJWSA-N 314.223 3.012 10 10 DGCE C[C@]1(F)CN(c2ccc(CO)cc2F)C[C@@]1(C)Br 2084854202 AECRUCUENIWIBN-OLZOCXBDSA-N 320.177 3.020 10 10 DGCE CC[C@@H](C)C[C@](CSc1nccs1)(NC(C)C)C(=O)O 2207913630 BTWLSAQWWYABFD-BXUZGUMPSA-N 316.492 3.493 10 10 DGCE Cc1ccc(O)c([C@H](C)Nc2cn(C)nc2Br)c1 2223020836 WBGJTQCRHIBZAX-VIFPVBQESA-N 310.195 3.370 10 10 DGCE C[C@@H]1COC(C)(C)CN1Cc1cc(Br)ccc1O 2256722280 PUKXWTWSGNUKRL-SNVBAGLBSA-N 314.223 3.154 10 10 DGCE CN1CCc2cc([C@H](O)[C@H](N)c3cc(Cl)cs3)ccc21 2290201994 JCXBKDWVCMYMQE-CABCVRRESA-N 308.834 3.127 10 10 DGCE COCC1(C)CC(N(C)c2cc(Cl)c(CN)cc2F)C1 2289827657 VKYMZVYMWUTHGD-UHFFFAOYSA-N 300.805 3.189 10 10 DGCE C[C@H]1C[C@@H](C)[C@@H]1NCc1cc(Br)cc(F)c1O 2301209391 BLDJSULCFPUBRW-JDICNCQASA-N 302.187 3.428 10 10 DGCE CCN(C(=O)/C=C/c1cnccn1)c1ccc(Cl)c(F)c1 493867572 GPRCKGJTZRVXNV-ZZXKWVIFSA-N 305.740 3.335 10 10 DGCE Cc1ccn2c(N=Nc3ccc(O)cc3)c(CC(=O)O)nc2c1 2320768575 HPKIAABSSBXOMX-UHFFFAOYSA-N 310.313 3.391 10 10 DGCE CSc1ncc(CNCc2snnc2C(C)C)s1 2314396299 YLCNGTCCPDCYRC-UHFFFAOYSA-N 300.478 3.130 10 10 DGCE CC(C)(C)[C@H]1C[C@@](Sc2nccs2)(C(=O)O)CCO1 2351991104 OFNCGMMYHDADKA-NOZJJQNGSA-N 301.433 3.284 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)N2CCc3ccccc32)c1 170903118 XXKQNEVRPRQTTI-LBPRGKRZSA-N 312.369 3.234 10 10 DGCE Cc1cc([C@@H]2CN(Cc3ccccc3O)CCO2)ccc1F 179579338 WCDQHODGHVLYFK-SFHVURJKSA-N 301.361 3.413 10 10 DGCE C[C@@H](NC/C=C\CNC(=O)OC(C)(C)C)c1ccccc1O 309691000 IQUUZLXGLASLEU-MEJMFZKBSA-N 306.406 3.124 10 10 DGCE Cc1ccc(NC2=NC(=O)/C(=C\c3cccnc3)S2)c(O)c1 210382841 FNIVUHMTYQIUEH-RIYZIHGNSA-N 311.366 3.178 10 10 DGCE CC(C)NCc1ccc(N(C)[C@H](C)CO)cc1C(F)(F)F 122659672 LZCCDCQPPQKCKO-LLVKDONJSA-N 304.356 3.020 10 10 DGCE Cc1ccc([C@@H](C)NCCCNC(=O)c2cccs2)c(O)c1 186031825 ZDFIHVCCAMEGGL-CYBMUJFWSA-N 318.442 3.233 10 10 DGCE CNCc1ccc(OC)c(C[S@](=O)c2ccccc2C)c1 84040184 QSXOOLTYZNLHJT-OAQYLSRUSA-N 303.427 3.031 10 10 DGCE Cc1cc(/C=C\C(=O)N2CC[C@](C)(O)C2)c(C)n1-c1ccccc1 255440960 QUUSXYPGLVGNKB-QJRAZLAKSA-N 324.424 3.091 10 10 DGCE CCO[C@@]1(C)C[C@H]1N[C@@H](C)c1cc(Br)ccc1O 527983209 WXGJJXZONMAOEX-FZZIBODNSA-N 314.223 3.373 10 10 DGCE CC1=NN(c2ccccc2)C(=O)[C@@H]1N=Nc1ccccc1C(=O)O 255980836 JHMOLDMNRXZOMQ-OAHLLOKOSA-N 322.324 3.260 10 10 DGCE COc1ccc(O)c(CN[C@@H](c2ccccc2)[C@H]2CCOC2)c1 362043885 YBJNKAWSPRCFAN-KXBFYZLASA-N 313.397 3.268 10 10 DGCE COC[C@H](CC(C)C)NCc1cc(Br)ccc1O 809713400 OVUFZEZXRLUQND-ZDUSSCGKSA-N 316.239 3.305 10 10 DGCE CSc1cncc(NCc2c(O)ccc3c2CCCC3)n1 811808314 DEIMKNKQOBOOCS-UHFFFAOYSA-N 301.415 3.395 10 10 DGCE CCOCc1cc(CN[C@H]2CCO[C@H](CC)C2)ccc1OC 817413968 AXOIHBMTKGVYRG-DLBZAZTESA-N 307.434 3.279 10 10 DGCE CCOC(=O)c1csc(NCc2ccc(N(C)C)cc2C)n1 827636483 UNFZASTXCGSSHX-UHFFFAOYSA-N 319.430 3.306 10 10 DGCE c1cc(N2CCCCC2)ccc1CN1CC[C@@H]2COC[C@H]2C1 827596672 ZHCQBRWTZRXCRJ-QZTJIDSGSA-N 300.446 3.145 10 10 DGCE CC(C)(C)N1CCCN(Cc2cc3c(cc2O)CCC3)CC1 748082338 IUKCPANHJSSMOR-UHFFFAOYSA-N 302.462 3.187 10 10 DGCE O=C(NCc1ccc(O)cc1O)[C@@H]1CC[C@H]1c1ccc(F)cc1 910954966 BNUJUJVBPPHHAU-JKSUJKDBSA-N 315.344 3.047 10 10 DGCE COC(=O)[C@H]1CC12CCN(Cc1c(O)cc(C)cc1Cl)CC2 840915545 QTGNSNQFPHJSKQ-CYBMUJFWSA-N 323.820 3.129 10 10 DGCE Oc1cc2c(cc1CN1CCC(c3ccncn3)CC1)CCC2 840170800 VVQFTPGRROAWAW-UHFFFAOYSA-N 309.413 3.051 10 10 DGCE CC[C@H]1CCN1C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C 840483296 JGQOBPAWVHOQBI-HOCLYGCPSA-N 303.450 3.186 10 10 DGCE C[C@@H](NC[C@@H]1CNCCC1(F)F)c1cc2c(cc1O)CCCC2 925780797 GZLCINGRXBCCJU-DOMZBBRYSA-N 324.415 3.166 10 10 DGCE COc1ccc(N2CC[C@H](N[C@H](C)c3cncs3)C2)cc1 850488423 MRHHIOCKKBTSBA-OLZOCXBDSA-N 303.431 3.081 10 10 DGCE C[C@H](NC(=O)N[C@H](C)c1ccns1)c1ccc(N(C)C)cc1 858369795 XWWBFNSPLMSTGX-NWDGAFQWSA-N 318.446 3.331 10 10 DGCE C[C@@H](NC[C@@H]1c2ccccc2C(=O)N1C)c1ccc(N(C)C)cc1 858528892 HBUTUKKSTSTCOC-AUUYWEPGSA-N 323.440 3.230 10 10 DGCE CCCc1nc(C)c(CNC(=O)N[C@@H](C)c2ccccc2O)o1 868642637 RXNPVGKWIQXLFI-NSHDSACASA-N 317.389 3.202 10 10 DGCE O=C(N[C@@H]1[C@H]2Cc3c(Cl)cccc3[C@H]21)c1cc(O)cs1 863049532 JGDPDGINUSIAGY-ZLKJLUDKSA-N 305.786 3.175 10 10 DGCE COc1cccc(CCC(=O)N2Cc3cccc(O)c3C2)c1F 871204391 DGLUKMHZEOYKMW-UHFFFAOYSA-N 315.344 3.015 10 10 DGCE CC[C@@H](NC1CCC(C(N)=O)CC1)c1cc(Cl)ccc1O 775525987 YVXJOAHTFFCECV-MMWSSPAHSA-N 310.825 3.130 10 10 DGCE Cc1ccc(C(=O)NCc2ccc3[nH]c(C)c(C)c3c2)c(O)c1O 780906718 BUVNBCZNKHNYQQ-UHFFFAOYSA-N 324.380 3.434 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1cncc(C(C)=O)c1 896057593 LGVLNJBMIILIPH-UHFFFAOYSA-N 312.369 3.042 10 10 DGCE Oc1c(Cl)cccc1CN[C@@H]1CCN(Cc2ccccc2)C1 390715736 CHPVVIFAYHWDQQ-MRXNPFEDSA-N 316.832 3.410 10 10 DGCE Nc1ccc(Cc2n[nH]c(C34CC5CC(CC(C5)C3)C4)n2)cc1 82753134 WOJXLRKNEWKAQI-UHFFFAOYSA-N 308.429 3.446 10 10 DGCE C[C@H](CN(C)Cc1ccccc1)NCc1cccc(F)c1O 390792911 XSABZSJBMAIPQV-CQSZACIVSA-N 302.393 3.141 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)[C@@]12CCCN(CC1)C2 897682863 ADWQGUNQHAZASV-IBGZPJMESA-N 316.445 3.007 10 10 DGCE C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1cc2ccccc2o1 1138256042 DTAXARYIOIKAFM-NSHDSACASA-N 311.337 3.264 10 10 DGCE CC(C)[C@H]1C[C@@H](NCc2cccc(Br)c2O)CO1 691488306 NJVBRCBHRRUYDY-DGCLKSJQSA-N 314.223 3.058 10 10 DGCE C[C@H](C[C@@H](N)c1ccc(N(C)C)cc1)NC(=O)OC(C)(C)C 1959563289 ZFJHUDHLTZVATQ-IUODEOHRSA-N 307.438 3.056 10 10 DGCE CCOc1ccc(N(CC)CCn2c([N+](=O)[O-])cnc2C)cc1 1307566630 NQQIGTBNZBTFNJ-UHFFFAOYSA-N 318.377 3.025 10 10 DGCE CC[C@@H](C)[C@@H](OC)C(=O)NCc1c(O)ccc2ccccc12 1179033580 YWDIZSDARCZRCZ-SJKOYZFVSA-N 301.386 3.223 10 10 DGCE Cc1cccc(C)c1CNC(=O)NCc1c(O)cccc1F 1312344794 ZRTHFIRZXQVQEF-UHFFFAOYSA-N 302.349 3.148 10 10 DGCE CN(C)c1ccc(CN(C(=O)C2(CF)CCC2)C2CC2)cc1 1326625641 CDOSAIJTQHALGS-UHFFFAOYSA-N 304.409 3.383 10 10 DGCE COc1ccc(N(C)CCN(C)C[C@H]2C[C@H]3CC[C@H]2C3)cc1 1195789977 OWVUSONAVOCOIC-YESZJQIVSA-N 302.462 3.499 10 10 DGCE CNCc1ccc(N(Cc2ccccc2)[C@@H](C)CCO)c(C)c1 1915425767 MBFNEONBBRWSSS-KRWDZBQOSA-N 312.457 3.492 10 10 DGCE OCc1ccc(N(Cc2ccccc2)[C@H]2CCOC2)c(F)c1 1915429916 GZXIGQHTEPMQAK-INIZCTEOSA-N 301.361 3.114 10 10 DGCE C/C(=C/c1cccnc1)C(=O)N1C[C@@H](C)C(=O)Nc2ccccc21 1360533734 JFCWAOHUTXCKDC-QLKUMGTLSA-N 321.380 3.106 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)CCCC(F)(F)F 1297562910 SERFKCOVPZXZMB-UHFFFAOYSA-N 310.312 3.227 10 10 DGCE CC(C)(C)OC(=O)N[C@@H](CN)c1cc(Cl)cc(Cl)c1O 1951473003 KHKMSSPHALFOLR-JTQLQIEISA-N 321.204 3.224 10 10 DGCE CC[C@@H]1CCC[C@H]1C(=O)N(C)CCN(C)c1ccc(OC)cc1 1531375041 PSBNBUSIHPNKLI-CRAIPNDOSA-N 318.461 3.416 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)NCC[C@H](O)C(C)C)cc1 1629373090 MGZZDDDSMVAJJG-SFHVURJKSA-N 314.429 3.231 10 10 DGCE CSc1ccc(C(=O)NCc2ccc3cccnc3c2O)o1 1557123509 PQOPJICPJQBLLA-UHFFFAOYSA-N 314.366 3.185 10 10 DGCE Cc1ccc2[nH]c(C(=O)NCc3cccc(O)c3O)cc2c1C 1558159596 IMCZMUJIUFKYGU-UHFFFAOYSA-N 310.353 3.126 10 10 DGCE O=C(c1ccnc(-c2ccccc2)n1)N1Cc2cccc(O)c2C1 1636231002 MTHJMLBHSUOCHG-UHFFFAOYSA-N 317.348 3.005 10 10 DGCE COc1ccc2[nH]cc(CC(=O)N[C@H](C)c3ccccc3O)c2c1 1648889648 GGYBFIGALFRHLP-GFCCVEGCSA-N 324.380 3.302 10 10 DGCE O=C(NCc1cccc(Cl)c1O)NC[C@]12CCCC[C@H]1C2 1685297621 FRVQCRYXFGGWGB-BLLLJJGKSA-N 308.809 3.425 10 10 DGCE CCC1([C@H](NC)c2ccccc2O)CN(C(=O)OC(C)(C)C)C1 1936985942 BMVSRSMZLQSJPU-OAHLLOKOSA-N 320.433 3.300 10 10 DGCE CC(C)NCc1ccc(N(C)C[C@@H]2CCN(C)C2)c(Cl)c1 164068790 PSFWSUBKZIIFEU-OAHLLOKOSA-N 309.885 3.226 10 10 DGCE Cc1cc(N(C)Cc2ccc(N)cc2)ncc1Br 166171595 FVLSMTRSILEUSA-UHFFFAOYSA-N 306.207 3.371 10 10 DGCE CCN1N=C(c2ccc(OC)cc2)/C(=C\c2ccccc2F)C1=O 1865654582 YLBLOAPEDMYPPM-FOWTUZBSSA-N 324.355 3.484 10 10 DGCE Cc1ccc(O)c(CNCCC(=O)N2CCCc3ccccc32)c1 1857852976 BZISZYMYKQMAGZ-UHFFFAOYSA-N 324.424 3.160 10 10 DGCE c1cc2c(cc1CN[C@H]1CCCC3(CC1)OCCO3)CCCO2 1965996068 KIUQFJZYIXVXOW-KRWDZBQOSA-N 317.429 3.177 10 10 DGCE CN1CCc2cc([C@@H](O)c3ccn(Cc4ccccc4)n3)ccc21 2022110694 SCCJYQLUKWNSGQ-HXUWFJFHSA-N 319.408 3.005 10 10 DGCE Cc1ccc(Cl)cc1S(=O)(=O)N(C)c1ccc(N)cc1 702087339 TYGUKQHLDIIVGH-UHFFFAOYSA-N 310.806 3.056 10 10 DGCE C[C@H]1CCN([C@H](C)c2cc(Br)ccc2O)CCO1 720495891 NIMLHIHQEZHHIW-WDEREUQCSA-N 314.223 3.327 10 10 DGCE NCc1ccc(N2C[C@H]3CC=CC[C@H]3C2)cc1Br 723180603 UAIKRGHJPLALRO-BETUJISGSA-N 307.235 3.310 10 10 DGCE COC(=O)c1cc(C2CC2)nn1[C@@H](C)c1cccc(C)c1O 2069965357 SFDNAZDBFLJMIR-NSHDSACASA-N 300.358 3.170 10 10 DGCE Nc1c(C2CCC2)cnn1Cc1ccc(Br)cc1O 2070321769 OSIULLIKZPPUFS-UHFFFAOYSA-N 322.206 3.249 10 10 DGCE CN[C@H](C)c1ccc(N(C)C[C@@H]2OCC[C@@H]2F)c(Cl)c1 2179110000 IRDITRKPKPNIPQ-DGFSRKRXSA-N 300.805 3.184 10 10 DGCE CN(Cc1ccccc1O)c1ccc(Br)cc1N 2072450671 NIPOGXPMACCEIA-UHFFFAOYSA-N 307.191 3.373 10 10 DGCE Nc1ccc2c(ccn2Cc2nscc2Br)c1 2214471805 OJCGIIIIXNQHCR-UHFFFAOYSA-N 308.204 3.491 10 10 DGCE COC(=O)[C@H](NCCCN=[N+]=[N-])c1cc2sccc2s1 2205532027 WXNSOJNZXXCAPK-LLVKDONJSA-N 310.404 3.467 10 10 DGCE CC[C@@H](C)NCc1cnc(Sc2nnc(C)s2)s1 2223527788 QVEOKOLUGUAOGX-SSDOTTSWSA-N 300.478 3.342 10 10 DGCE CCCNCc1ccc(N(C)C2CSCCSC2)cc1 2237060490 BQTWCDSPDLPCIR-UHFFFAOYSA-N 310.532 3.471 10 10 DGCE Cc1cc([C@H](C)N)ccc1N1CCS[C@@H](C(F)(F)F)C1 2240841039 BIVKSQMVEJCVDN-GXFFZTMASA-N 304.381 3.499 10 10 DGCE OCc1ccc(N2CC(F)(F)C3(CC3)C2)c(Br)c1 2263210062 ORWCTLINSMKHNA-UHFFFAOYSA-N 318.161 3.177 10 10 DGCE Cc1cc(N2CCCC2)ccc1C=C1SC(=S)NC1=O 2294137533 LAKGRLFDJXCSHD-UHFFFAOYSA-N 304.440 3.084 10 10 DGCE CCc1cc(O)ccc1NS(=O)(=O)C=Cc1ccccc1 2311549642 JECGUDXFBNPRAK-UHFFFAOYSA-N 303.383 3.367 10 10 DGCE Cc1ccc(CN2CC3(CSC3)C2)c(O)c1Br 2307471036 LAQXASLTYWTKRO-UHFFFAOYSA-N 314.248 3.012 10 10 DGCE CO[C@H]1C[C@@H]2C[C@H](Nc3c(N)cccc3Br)[C@@H]2C1 2310852572 HGBODEPEXRMSMT-COMAGPEQSA-N 311.223 3.257 10 10 DGCE Cc1ccc(CN2C[C@H]3C[C@H]2[C@H]2C[C@@H]32)c(O)c1Br 2327598854 HLUFZBKKAKRVSK-VOAKCMCISA-N 308.219 3.303 10 10 DGCE CCCCCCOCC(=O)N1CCOc2cc(N(C)C)ccc21 173202677 OJYZEVNQXYFTQQ-UHFFFAOYSA-N 320.433 3.075 10 10 DGCE COc1ccccc1/C=C/C(=O)N(C)Cc1ccc(N(C)C)cc1 69772161 ZDSCXIJFDZZEAZ-SDNWHVSQSA-N 324.424 3.433 10 10 DGCE O=C(CC(C1CCC1)C1CCC1)NCc1cccc(O)c1O 1352672852 YXNZBDWNETVZSA-UHFFFAOYSA-N 303.402 3.321 10 10 DGCE COc1ccc(N(C)Cc2sccc2/C=C\C(=O)O)cc1 219420336 FSDUFBDWJCZGEX-BAQGIRSFSA-N 303.383 3.491 10 10 DGCE Nc1ccc(OCCCn2ccc3c(F)cccc3c2=O)cc1 75253831 KLHQFZOPONLOHH-UHFFFAOYSA-N 312.344 3.192 10 10 DGCE c1ccn2c(CNCCCSc3nccs3)cnc2c1 124238332 HKXJLPIKVVIUND-UHFFFAOYSA-N 304.444 3.063 10 10 DGCE Oc1cccc(CNCc2ccc(Br)cc2)c1O 42373544 FTBTWNNRPSIDKY-UHFFFAOYSA-N 308.175 3.150 10 10 DGCE CNCc1ccc(OC)c(C[S@](=O)c2cccc(Cl)c2)c1 81994032 BSHXHBPNEHGYAP-OAQYLSRUSA-N 323.845 3.376 10 10 DGCE COC(=O)[C@H](NCCCN=[N+]=[N-])c1csc2ccccc12 90259603 MSVIBMQIFZQFPN-CYBMUJFWSA-N 304.375 3.405 10 10 DGCE CCOc1cccc(CN[C@]2(CO)C[C@H](C)CC(C)(C)C2)c1O 236964519 KTSFHFLJTPRDGV-AUUYWEPGSA-N 321.461 3.458 10 10 DGCE C[C@@H]1C[C@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1O 804913241 IDSZQVKQKWZDJN-SFYZADRCSA-N 303.189 3.154 10 10 DGCE CN1CCCc2cc([C@@H](NN)c3sccc3Cl)ccc21 2163151812 MPQOPGZHKAAROR-CQSZACIVSA-N 307.850 3.337 10 10 DGCE O=C(C(F)=C1CCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 819420051 POAOMCRFSSCLNL-HNNXBMFYSA-N 319.376 3.307 10 10 DGCE Cc1nnc(CN(C)C/C=C\c2ccc(N(C)C)cc2)s1 827806632 UMONQZMWMIESHM-WAYWQWQTSA-N 302.447 3.058 10 10 DGCE COC(=O)[C@@H]1CCCC[C@@H]1NC/C=C\c1ccc(N(C)C)cc1 835055543 VXJOZOHRLSBXTC-DFOOCIKTSA-N 316.445 3.087 10 10 DGCE O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@]12CCC[C@@H]1C2 919919032 URYFKRDQAJIWHH-APWZRJJASA-N 311.429 3.052 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCC(c3ncc[nH]3)CC2)cc1 835029329 WPBVOLOFWNDCDX-ONEGZZNKSA-N 310.445 3.369 10 10 DGCE C[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)C1CCCCC1 837589235 XLXPFYSAEMZASM-OANVXVOSSA-N 318.369 3.192 10 10 DGCE O=C(NCc1ccccc1O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 748345384 BEXUKTVUWBREDF-HUUCEWRRSA-N 301.773 3.466 10 10 DGCE CCc1ccc(NC(=O)NCCc2ccc(N)cc2)cc1OC 841259204 MHPFSNDIAQKALM-UHFFFAOYSA-N 313.401 3.204 10 10 DGCE FC(F)(F)[C@@H]1CCC[C@H](CNCc2ccc3c(c2)CCO3)O1 922698254 WPXCSGGFJVZAIY-HIFRSBDPSA-N 315.335 3.211 10 10 DGCE Oc1ccc(Cl)c(F)c1CN[C@H](C1CC1)[C@H]1CCCOC1 922895693 GEHDRYDLITXXTB-MEDUHNTESA-N 313.800 3.480 10 10 DGCE Cc1cc(O)c(CN[C@H]2CCC[C@H]2Cc2cnn(C)c2)cc1C 850384869 SFRWYEAGBAEOGG-WMZOPIPTSA-N 313.445 3.244 10 10 DGCE Cc1cc(CN[C@@H]2C[C@@H](O)C23CCC3)ccc1N1CCCCC1 852580914 GDSHOUVDTGDHHH-RTBURBONSA-N 314.473 3.378 10 10 DGCE Cc1cc(F)ccc1C[C@H](C)NCc1cc2c(cc1O)OCO2 850350078 NTTZIKONRKUASF-LBPRGKRZSA-N 317.360 3.289 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CCC(C)(C)C3)C2)cc1 855224552 FWNPMBWYAHNRRK-HUUCEWRRSA-N 316.445 3.216 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3C[C@H]3C(C)(C)C)C2)cc1 869227679 BMDBQBHGZSYUTP-KBRIMQKVSA-N 316.445 3.072 10 10 DGCE C[C@H]1CC(CCNC(=O)N[C@@H](C)c2ccccc2O)C[C@H](C)O1 868585472 FPFWLLYUBNVGLT-IHRRRGAJSA-N 320.433 3.346 10 10 DGCE CCOc1ccc(O)c(CN(Cc2ccccc2)C[C@H](C)O)c1 768891170 BNKRHGUGCVICRL-HNNXBMFYSA-N 315.413 3.174 10 10 DGCE CSc1ccc(CCC(=O)NCc2ccc(O)c(O)c2)cc1 1137443235 HQCCAOAAQGNORY-UHFFFAOYSA-N 317.410 3.069 10 10 DGCE CN(C[C@]1(C)CC1(F)F)c1ccc(CN)cc1Br 689197369 WKLGJWNVLNYXNX-LBPRGKRZSA-N 319.193 3.389 10 10 DGCE C[C@H](N)c1ccc(N2C[C@@H]3[C@@H](C2)C3(F)F)c(Br)c1 715495295 VAGKVGQWCVHLSK-FXBDTBDDSA-N 317.177 3.170 10 10 DGCE Cc1cc(NC(=O)c2ccc(N=NC(N)=O)cc2)cn2ccnc12 1159808066 JFHGZPRVEZLXDD-UHFFFAOYSA-N 322.328 3.057 10 10 DGCE COc1ccc(CN[C@H](CNC(=O)C2(C)CC2)C(C)C)cc1C 1319917406 RUGCDZNQPHFDEC-MRXNPFEDSA-N 318.461 3.034 10 10 DGCE CC[C@@H](CNC(=O)[C@H](C)CC)NCc1ccc(OC)c(C)c1 1318503123 OHJNFAIXIUSEJY-CJNGLKHVSA-N 306.450 3.034 10 10 DGCE C[C@H](CC(=O)Nc1c(Cl)ccc2nonc12)n1cccc1 1329517740 GAEYSSXJKCLZND-SECBINFHSA-N 304.737 3.268 10 10 DGCE COc1ccccc1C1(C(=O)N2Cc3cccc(O)c3C2)CCC1 1332204696 XKEGDLFBHNXUMJ-UHFFFAOYSA-N 323.392 3.365 10 10 DGCE O=C(Nc1c(Cl)ccc2nonc12)c1cncc2[nH]ccc12 1271355182 AHFTZQVQRSRAQQ-UHFFFAOYSA-N 313.704 3.005 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC[C@H]1C[C@@H]1C 1290932208 ZNNCOCMPJQFOFO-SWLSCSKDSA-N 310.397 3.292 10 10 DGCE COc1ccc(F)cc1NC(=O)c1ccc(N=NC(N)=O)cc1 1295099478 XPHMHPFKGNDHMS-UHFFFAOYSA-N 316.292 3.249 10 10 DGCE CC[C@@H](C)Oc1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 1450254408 KMWZLFKLJNWUHF-GFCCVEGCSA-N 315.369 3.456 10 10 DGCE O=C(NCc1ccc(O)cc1O)c1ccc(SC2CC2)cc1 1451769998 NWDLLFZVIJXTPW-UHFFFAOYSA-N 315.394 3.282 10 10 DGCE Cc1ccc2c(c1)CN(C(=O)c1ccc(N=NC(N)=O)cc1)CC2 1557398537 CXQMJQQMHKFWOA-UHFFFAOYSA-N 322.368 3.356 10 10 DGCE COc1ccc(CN[C@@H](C)[C@@H](C)NC(=O)CC2(C)CC2)cc1C 1725101606 HQPGNWDAJZPOGM-LSDHHAIUSA-N 318.461 3.177 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2ncc(C(F)(F)F)s2)c1 1645805177 VLUJVQJFUVACRH-UHFFFAOYSA-N 316.304 3.106 10 10 DGCE CCOC(=O)[C@H](CC)N(Cc1ccc(N(C)C)c(C)c1)C1CC1 1654203710 MGZDEQVTNBYYIY-KRWDZBQOSA-N 318.461 3.367 10 10 DGCE CCN(CCCN=[N+]=[N-])C1CCN(C(=O)OC(C)(C)C)CC1 1962303385 GUDPBTPWAYMHGI-UHFFFAOYSA-N 311.430 3.408 10 10 DGCE Oc1c(F)cc(Br)cc1CN[C@@H]1CC[C@@H]2C[C@H]21 1941000034 LSJPCRIYDRTLEO-NYRNMGCKSA-N 300.171 3.182 10 10 DGCE Cc1cnc(Br)c(CN(C)c2ccc(CN)cc2)c1 2142024729 MUTIKHSDBHDZPC-UHFFFAOYSA-N 320.234 3.248 10 10 DGCE Nc1ccc(CC(=O)Nc2ccc(F)cc2Br)cc1 20430036 AOXDUSGNDLERJC-UHFFFAOYSA-N 323.165 3.352 10 10 DGCE CN[C@H](c1ccccc1O)[C@@H]1C[C@H](C)CN1C(=O)OC(C)(C)C 1976296630 GDTICMMDZORSEE-DUVNUKRYSA-N 320.433 3.298 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](Nc3c(N)cccc3F)[C@H]1C2 1977663722 CDUGAKKVOHXASN-LEWSCRJBSA-N 321.396 3.218 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CN(Cc2ccc(N)cc2)CC1(C)C 1977893571 MDUWUAZQMFVJNV-HNNXBMFYSA-N 319.449 3.004 10 10 DGCE Nc1cccc(Br)c1N[C@@H]1[C@@H]2CCC(F)(F)[C@H]21 2004118724 YTVAMMDGIVTTJA-BDODKLCJSA-N 303.150 3.487 10 10 DGCE C[C@H](F)[C@H]1CCCN1Cc1cc(Br)ccc1O 2010592280 VIZORDFXQLQXRW-JOYOIKCWSA-N 302.187 3.477 10 10 DGCE Nc1ccc(CCN2C[C@@H]3C[C@H](C2)CN3Cc2ccccc2)cc1 2014346992 RGRMVIWKJSTSIE-CTNGQTDRSA-N 321.468 3.018 10 10 DGCE CN1CCc2cc([C@H](O)c3ccnn3Cc3ccccc3)ccc21 2024693495 TXSHOBREUWYLOY-FQEVSTJZSA-N 319.408 3.005 10 10 DGCE COc1ccc(Br)c([C@H](N)c2ccccc2O)c1 2029560719 VOMPGQTVWSHCML-CQSZACIVSA-N 308.175 3.211 10 10 DGCE C[C@H]1CCO[C@H](C)CN1Cc1c(O)cccc1Br 2031608015 QUOPFOOPBGFFFU-WDEREUQCSA-N 314.223 3.154 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNCCC1(O)CCCC1 404167322 JYWVXMMGUFDHDS-UHFFFAOYSA-N 304.217 3.484 10 10 DGCE CN[C@H](C)c1ccc(N2CC(OCC(F)F)C2)c(Cl)c1 707664391 AEHPXULIWNQYNG-SECBINFHSA-N 304.768 3.091 10 10 DGCE CC1(C)[C@H]2CN(c3ccc(CN)c(Br)c3F)C[C@H]21 379542953 SVLPVHNOLGFJCP-AOOOYVTPSA-N 313.214 3.139 10 10 DGCE CC(C)n1ncc(Br)c1[C@H](O)Cc1ccc(N)cc1 696591783 BEHBLYZOJXXTQT-CYBMUJFWSA-N 324.222 3.085 10 10 DGCE CCOC(=O)c1cc(C(C)C)nn1Cc1c(C)cccc1O 2069905078 LHTVNJLOHSUZEG-UHFFFAOYSA-N 302.374 3.246 10 10 DGCE OCc1cc(C2CCCCC2)nn1Cc1c(O)cccc1F 2070158500 MNLNZXRHQQCZNM-UHFFFAOYSA-N 304.365 3.316 10 10 DGCE COc1ccc(O)c(Cn2nc(C)c(C)c2Br)c1 2080107148 KIFYGTDBCYUFCA-UHFFFAOYSA-N 311.179 3.025 10 10 DGCE CCOC(=O)NC(=O)C(N=Nc1ccc(F)cc1F)=C(C)O 2080530454 WINQMAPCPJTQSS-UHFFFAOYSA-N 313.260 3.111 10 10 DGCE F[C@H]1C[C@@H](F)CN(c2ccc(CNC3CC3)cc2Cl)C1 2182606791 VAEDKNSATKHINM-TXEJJXNPSA-N 300.780 3.478 10 10 DGCE CO[C@@H]1CC[C@H](N(C)Cc2cc(Br)ccc2O)C1 2067111064 BMEMCLOYNFRJMB-QWHCGFSZSA-N 314.223 3.154 10 10 DGCE Cc1c(Br)csc1C(=O)N(C)CCN=[N+]=[N-] 2210634855 AUGXXCHNFVZSBE-UHFFFAOYSA-N 303.185 3.201 10 10 DGCE CC[C@H](C)NCc1ccc(N(C)CC[S@](C)=O)cc1Cl 2240021596 WNIOWAIQMSRJOA-YUNKPMOVSA-N 316.898 3.043 10 10 DGCE CC(C)(C)C1CC(S(=O)(=O)Nc2ccc(O)cc2F)C1 2240466801 OBGXEZFRRJXYSD-UHFFFAOYSA-N 301.383 3.098 10 10 DGCE CC[C@H](C)CN(C)C(=O)C=Cc1ccc(N2CCOCC2)cc1 2297522579 LVXHVDPTQTUWNY-INIZCTEOSA-N 316.445 3.041 10 10 DGCE Cc1ccc(CN2C[C@H](F)C[C@H]2C)c(O)c1Br 2307572262 ULOSTJYZVRNMMO-MWLCHTKSSA-N 302.187 3.395 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)N1CCC[C@@]2(CC=CCC2)C1 2307987071 ARYXHEQSLOZRDW-IBGZPJMESA-N 313.397 3.460 10 10 DGCE CCOc1ccc(C=C2C(=O)N(CC)N=C2C)cc1OCC 2332106740 BDEXXZLSCMKEIJ-UHFFFAOYSA-N 302.374 3.105 10 10 DGCE CCCN(c1cc(Br)c(CN)cc1F)C1CC1 310150304 MRXXPPNRBFYSHR-UHFFFAOYSA-N 301.203 3.426 10 10 DGCE COc1ccc(N(CC(=O)NC(C)(C)C)[C@@H](C)C2CC2)cc1 111236616 ZMJQATWVJDSQPW-ZDUSSCGKSA-N 304.434 3.215 10 10 DGCE CC[C@H]1CCCN1c1cc(Br)c(CN)cc1F 310324198 WMVWDRZYCPFQBQ-JTQLQIEISA-N 301.203 3.426 10 10 DGCE CC(C)c1nnc2n1CCN(Cc1cccc(Cl)c1O)[C@H]2C 188461029 RRIASNOBOHXSII-NSHDSACASA-N 320.824 3.337 10 10 DGCE CCOc1ccc(O)c(CNCC[C@@](C)(O)c2ccccc2)c1 189837845 FVASJESUQHCJLD-LJQANCHMSA-N 315.413 3.178 10 10 DGCE C[C@H](NCc1nccn1C(F)F)c1ccc(F)c(F)c1O 187672923 ZSTUNIXFTYPMBI-ZETCQYMHSA-N 303.259 3.113 10 10 DGCE CC(C)N[C@@](CSc1nccs1)(CC1CCC1)C(=O)O 2366459183 VLSBELJAIQFWDJ-CQSZACIVSA-N 314.476 3.247 10 10 DGCE COc1ccc(N(C)CC(=O)N(CC(C)C)C(C)C)c(OC)c1 131742352 ZGFZSGOMMNOOOT-UHFFFAOYSA-N 322.449 3.033 10 10 DGCE C[C@H]1CCCCN1c1ccc(CN)c(Br)c1F 231838671 PPRCGNVTNQFLED-VIFPVBQESA-N 301.203 3.426 10 10 DGCE Cc1ncc(/C=C\C(=O)N2CCc3c(F)cc(F)cc32)s1 254952062 AXQWGUWGUHUNBK-IHWYPQMZSA-N 306.337 3.332 10 10 DGCE Oc1cccc2c1[C@H](N[C@H]1CCOC3(CCSCC3)C1)CC2 296650265 DILUCNBKWIHUSA-LSDHHAIUSA-N 319.470 3.414 10 10 DGCE Cn1cc(NC(=O)c2cccc(O)c2O)c(C2CCCCC2)n1 295874253 VBNWNGIKSKKELG-UHFFFAOYSA-N 315.373 3.131 10 10 DGCE COc1ccc(O)c(CN2CC[C@](F)(c3ccccc3)C2)c1 802656407 KVNPHABMAYUCGG-GOSISDBHSA-N 301.361 3.472 10 10 DGCE Cc1cccc(CN2C[C@H](c3ccccc3)[C@](F)(CO)C2)c1O 824636837 UHQMZMYDOUEEAK-IEBWSBKVSA-N 315.388 3.001 10 10 DGCE CC[C@](C)(C(=O)OC)N(Cc1cc(C)ccc1O)CC1CC1 822503540 IHWYNCNYAVTNSX-GOSISDBHSA-N 305.418 3.254 10 10 DGCE Cc1ccc(C(=O)NCCCSc2nccs2)c(C)n1 733973100 UWIJETVFEGLXAM-UHFFFAOYSA-N 307.444 3.067 10 10 DGCE CSCc1cc(C(=O)NCc2ccccc2O)ccc1F 746688882 KIXCHWKISHMMLE-UHFFFAOYSA-N 305.374 3.324 10 10 DGCE Cc1ccc(CC[C@H](C)NC(=O)NCCc2ccc(N)cc2)o1 841838609 DNYTXUQCXJYRHG-ZDUSSCGKSA-N 315.417 3.033 10 10 DGCE CN(C)c1ccc(CN[C@@H](C2CC2)[C@H]2CCCCO2)cc1F 848560621 OXMRIRCCUOYKJK-MSOLQXFVSA-N 306.425 3.329 10 10 DGCE Cc1cc(C)c([C@@H](C)NC[C@H](C)N2C[C@H](C)O[C@H](C)C2)c(O)c1 848556940 DNLMPUVQQSEJLU-MWDXBVQZSA-N 320.477 3.157 10 10 DGCE c1cc2c(cc1CNC[C@@H]1C[C@H]1C1CCOCC1)CCCO2 922317107 VMEDYZFIZNZOAJ-ROUUACIJSA-N 301.430 3.164 10 10 DGCE Cc1cc(C)c(O)c(CN2C[C@]34CCCC[C@@]3(COC4)C2)c1 853623124 DXZLSMAODBURPT-OALUTQOASA-N 301.430 3.402 10 10 DGCE C[C@H](NCCOC1CCOCC1)c1cc2c(cc1O)CCCC2 927080506 TWIWFYYMLLYVQY-AWEZNQCLSA-N 319.445 3.117 10 10 DGCE COc1ccc(N2CC[C@H](CN[C@@H]3CCCC34CC4)C2)cc1 850474256 KXZWEUQQHAUWSA-CRAIPNDOSA-N 300.446 3.444 10 10 DGCE C[C@@H](N[C@@H]1CCCSCC1)c1ccc(N2CCOCC2)cc1 850427889 GKEBPEDMQWNFAO-NVXWUHKLSA-N 320.502 3.460 10 10 DGCE Cc1cc(Cl)cc([C@@H](C)NCCO[C@H]2CC2(F)F)c1O 850520872 HWRGGOMVHRMPGK-SKDRFNHKSA-N 305.752 3.429 10 10 DGCE Cc1ccc([C@H](C)N[C@H]2CCC[C@H]2Cc2cnn(C)c2)c(O)c1 850540585 NHESMJQFDMFLSP-ZVZYQTTQSA-N 313.445 3.496 10 10 DGCE CCCN(CCC)c1ccc(CNCCc2cncn2C)cc1 857784403 ZWIVHYOYGOSAIL-UHFFFAOYSA-N 314.477 3.379 10 10 DGCE Cc1nn(C)c(C)c1CCCN[C@H](C)c1cc(F)cc(F)c1O 756786127 JPHRRQNISGAHNL-SNVBAGLBSA-N 323.387 3.304 10 10 DGCE COc1cccc([C@@H](C)NC2CCC(C)(N(C)C)CC2)c1O 866516979 FRYJTFLTISMZGY-WRSVWVKZSA-N 306.450 3.314 10 10 DGCE CC[C@H]1C[C@H](CN2CCOc3cc(N(C)C)ccc32)CCO1 765653602 APBRVXDBFKUUGY-ZBFHGGJFSA-N 304.434 3.157 10 10 DGCE C=C/C(C)=C\CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 788655295 QGJQLDCKCXZYDL-XBNGYDHASA-N 315.413 3.422 10 10 DGCE O=C(N[C@@H]1CCC(F)(F)C1)c1cc2cc(O)c(O)cc2s1 897006949 IQLPTNOJBQOSTI-MRVPVSSYSA-N 313.325 3.230 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C 1142416882 JCYMEWZKTRYIHO-VIBAHUMZSA-N 300.446 3.393 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC[C@H]2[C@H](C1)C2(F)F 1328089058 WCTLZHFAZXVPIM-KBMXLJTQSA-N 322.399 3.392 10 10 DGCE Oc1cccc(F)c1CNc1cnc2cc(F)c(F)cc2n1 1187678197 ZNDGOZZFPIRMSH-UHFFFAOYSA-N 305.259 3.365 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(Cc2sncc2Br)C1 1912185224 NIURYHSMCDSRQK-ZETCQYMHSA-N 302.201 3.180 10 10 DGCE C[C@@H](c1ccncc1)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 1442610412 LPFHNRWWBCLWOH-NSHDSACASA-N 311.345 3.077 10 10 DGCE O=C(NCc1cccc(Cl)c1O)c1cc2ccccn2c1 1457037201 JTSQFCSNXRASIZ-UHFFFAOYSA-N 300.745 3.228 10 10 DGCE Cc1ccc(-n2nc(C)cc2NC(=O)c2cccc(O)c2O)cc1 1464671127 MZSAMAARAHGZEA-UHFFFAOYSA-N 323.352 3.153 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@H](C)[C@@H]2CCCO2)cc1F 1543251561 SOCBEOFELISKDM-DYVFJYSZSA-N 322.424 3.103 10 10 DGCE O=C(CCSc1ccccc1F)NCc1c(O)cccc1F 1558454244 CJSBOESNOZGCDP-UHFFFAOYSA-N 323.364 3.469 10 10 DGCE Cc1c(C(=O)N(C)Cc2ccccc2O)oc(=O)c2ccccc12 1566303842 GUMHTBKTSQSYBH-UHFFFAOYSA-N 323.348 3.079 10 10 DGCE C[C@@H](CC(=O)NCc1ccc(O)cc1O)c1cccc(F)c1 1639444185 ADOQVXJMMXJRFC-NSHDSACASA-N 303.333 3.047 10 10 DGCE Cc1ccc(O)c(CNC(=O)CCOc2ccccc2Cl)c1 1633282100 CXTJHMHGFAMHHO-UHFFFAOYSA-N 319.788 3.439 10 10 DGCE Cc1cc(NC(=O)C2=S=CC(O)=C2)ccc1-c1ccncc1 1569818775 WTCVDAKKFXSIJT-UHFFFAOYSA-N 310.378 3.159 10 10 DGCE C[C@@H](NC(=O)[C@@H](C)n1cnc2ccccc21)c1ccccc1O 1642827215 CFHZBRUZTLJKRO-CHWSQXEVSA-N 309.369 3.180 10 10 DGCE COc1cc(NC(=O)c2cc(C)ccc2-n2c(C)ccc2C)[nH]n1 1641523805 AYFIZGJZTTWFRE-UHFFFAOYSA-N 324.384 3.387 10 10 DGCE CCC(C)(C)C(=O)NCC1(NCc2ccc(OC)c(C)c2)CC1 1699661283 LEXCVFVCULUCHM-UHFFFAOYSA-N 318.461 3.178 10 10 DGCE CCOc1ccc(/C=C2\C(=O)N(C)N=C2c2ccccc2)cc1 1865669494 LWQPDKZRSNKLAS-LGMDPLHJSA-N 306.365 3.345 10 10 DGCE CN(c1ccc(CN)c(F)c1)[C@H]1CC[C@H]1OCc1ccccc1 1939611933 OLWVYYVEOROZMH-RBUKOAKNSA-N 314.404 3.468 10 10 DGCE CC(C)n1cncc1CNCc1cc(Br)ccc1O 822480654 CEUMFQIIBBDBBC-UHFFFAOYSA-N 324.222 3.222 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@H]1CC(F)(F)CO1 1966023252 RBTRGFCLWYUFEY-SECBINFHSA-N 312.143 3.213 10 10 DGCE CC[C@](O)(c1ccc(N(C)C)cc1)[C@@H](C)NC(=O)OC(C)(C)C 1977957125 CIKUZWNSOGYCOS-FZKQIMNGSA-N 322.449 3.263 10 10 DGCE CN(Cc1cc(Br)ccc1O)[C@@H]1CCC[C@@H]1F 2006800541 BPJHCFKVGNEDDO-NWDGAFQWSA-N 302.187 3.477 10 10 DGCE C[C@H](Sc1ccc(Cl)cn1)C(=O)Nc1ccc(N)cc1 79424967 BAFWOIDUEGEBHH-VIFPVBQESA-N 307.806 3.437 10 10 DGCE CCCNCc1cnc(Sc2nc(C)c3n2CCC3)s1 2176930184 HQIXLBWJJRBLEZ-UHFFFAOYSA-N 308.476 3.245 10 10 DGCE OCc1ccc(N2CCO[C@@H](c3ccsc3)C2)c(Cl)c1 2171860090 UIKLLZGXURKMCF-OAHLLOKOSA-N 309.818 3.472 10 10 DGCE C[C@@H]1C[C@@H](N(C)Cc2ccc(Br)cc2O)CCO1 721482191 RELRVZSIKSYTOL-MFKMUULPSA-N 314.223 3.154 10 10 DGCE Oc1ccc(F)cc1CNCc1sncc1Br 722765089 GSCFQQDVQXRZBB-UHFFFAOYSA-N 317.183 3.040 10 10 DGCE CN1CCc2cc([C@H](O)c3coc(Br)c3)ccc21 2044720792 XQDNONDAZMLNSM-AWEZNQCLSA-N 308.175 3.116 10 10 DGCE NCc1cc(F)c(N2CC[C@H]3C=C[C@H]2C3)cc1Br 2078714039 ITPROWVHOUZUSJ-KOLCDFICSA-N 311.198 3.202 10 10 DGCE C[C@@H](N)c1ccc(N2CC[S@](=O)C(C)(C)CC2)cc1Cl 321550955 ANNZSTIFJHURLH-GIPWTMENSA-N 314.882 3.097 10 10 DGCE CCC[C@@H]1CN(Cc2cnc(SC)s2)[C@@H](C(C)C)CN1 2284678399 WAVMYBSUBRIYQF-TZMCWYRMSA-N 313.536 3.464 10 10 DGCE CSc1ncc(CNC[C@@H](N)C2CCC(F)(F)CC2)s1 2284723988 HLTJQPKQBNKJGO-LLVKDONJSA-N 321.462 3.107 10 10 DGCE CCCN1C(=O)C(=Cc2ccc(O)c(OC)c2)SC1=S 2296674902 BBAVRTYDZDDHPY-UHFFFAOYSA-N 309.412 3.012 10 10 DGCE Oc1cc(NCc2cccc(O)c2O)ccc1Br 2321014247 UIRHPFUIGGVTDK-UHFFFAOYSA-N 310.147 3.178 10 10 DGCE CC(C)(C)OC(=O)N1CCN(N=Nc2ccc(F)cc2)CC1 2330180840 BYMAJDBJKSJLTE-UHFFFAOYSA-N 308.357 3.377 10 10 DGCE O=S(=O)(Nc1ccc(O)cc1F)c1cccc2ccccc12 6476758 CQWFZYXFVBWBIM-UHFFFAOYSA-N 317.341 3.485 10 10 DGCE CCCOc1ccc(CNC[C@](C)(O)c2ccc(C)o2)c(O)c1 174495886 SZWKWNGKTNYMJT-SFHVURJKSA-N 319.401 3.080 10 10 DGCE Oc1ccsc1-c1nc([C@H]2CCOc3ccccc32)no1 115851015 UJAOOQFIGPTHBY-JTQLQIEISA-N 300.339 3.418 10 10 DGCE CCCN(Cc1ccccc1)C(=O)CCOc1ccc(N)cc1 302909057 NBIQENQWOJRZKI-UHFFFAOYSA-N 312.413 3.477 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@H](C)C2CCOCC2)cc1 179317311 HDYMQPGPTRCSBG-OAHLLOKOSA-N 318.461 3.212 10 10 DGCE CN1CCc2cc(CN(CCCN)Cc3ccccc3)ccc21 303986364 JREFXHRPUDKQGR-UHFFFAOYSA-N 309.457 3.030 10 10 DGCE COCCN(c1c(F)cc(CNC(C)C)cc1F)C(C)C 123489270 ORJSFHLAPRZFLC-UHFFFAOYSA-N 300.393 3.324 10 10 DGCE COc1cc(OC)c(N2Cc3ccc(N)cc3C2)cc1Cl 36988149 OTKCCBKJRNAZKN-UHFFFAOYSA-N 304.777 3.460 10 10 DGCE C[C@H](NCc1cccc(Cn2ccnc2)c1)c1ccccc1O 183409309 OANLUTLKZKUZFL-HNNXBMFYSA-N 307.397 3.488 10 10 DGCE CN(C)c1ccc(CN2CCC(CN3CCCC3)CC2)cc1 134178630 FLJGAMLWDYHJOJ-UHFFFAOYSA-N 301.478 3.060 10 10 DGCE CC[C@@H](CN[C@H](C)c1c(O)cccc1O)NC(=O)OC(C)(C)C 233885036 GDSRUXFBKDLKKP-NEPJUHHUSA-N 324.421 3.052 10 10 DGCE Cc1cc(Br)cc([C@H](C)N[C@H]2CCCOC2)c1O 275266394 BDPSYBUVNSGTEK-JQWIXIFHSA-N 314.223 3.293 10 10 DGCE Cn1cc(NCc2cc(Cl)ccc2O)c(-c2ccccn2)n1 376505116 JUVLWUDGFWYQCO-UHFFFAOYSA-N 314.776 3.453 10 10 DGCE CCN(CC)c1ccc(CN2CC[C@H](OC(F)F)C2)cc1F 802659264 YTNUWGLOQGSEKJ-ZDUSSCGKSA-N 316.367 3.485 10 10 DGCE CC[C@@H]1C[C@@H](NCc2cc(Cl)cc([N+](=O)[O-])c2O)CCO1 817414487 GEVCVRFAKYFNOR-NWDGAFQWSA-N 314.769 3.001 10 10 DGCE Cc1cc(N(C)C)ccc1CNc1ncnc2c1ncn2C1CC1 814256093 AFXOTKNLUHUMSE-UHFFFAOYSA-N 322.416 3.148 10 10 DGCE Cc1cc(Cl)cc(CN2C[C@@]3(CCCO3)[C@@H]2C2CC2)c1O 816666001 BPDCOODJUAGWLO-IRXDYDNUSA-N 307.821 3.497 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)[C@H](C)[C@@H]1CCCO1 908044359 AWKFVQRVBHVIDV-PBHICJAKSA-N 305.418 3.336 10 10 DGCE CC[C@](C)(NC(=O)/C=C\c1ccc(O)c(O)c1)c1nccs1 588407058 RVPJLMHMRMYXQX-WRLNGNIRSA-N 318.398 3.009 10 10 DGCE CN(C)c1ccc(/C=C\CN(CC(=O)O)C2CCCC2)cc1 902038345 CSTPNEXQGOMMHZ-WAYWQWQTSA-N 302.418 3.095 10 10 DGCE C[C@@H]1C[C@H](N(C)C/C=C/c2ccc(N(C)C)cc2)CCN1C 835026368 RYKOAQRJASQUJP-HVMFBIMJSA-N 301.478 3.180 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1CCC(C)(C)O1 839922475 VQPTVHLTNUNXSE-YOEHRIQHSA-N 318.461 3.066 10 10 DGCE Cc1ccc2c(c1)[C@@H](NC(=O)NCCc1ccc(N)cc1)[C@H](C)C2 841871477 CLJCDVOKLPTQPO-KUHUBIRLSA-N 323.440 3.352 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)Nc1cc(CC)on1 743181237 KICJVJLDEPSOKV-UHFFFAOYSA-N 303.362 3.387 10 10 DGCE O=C(C[C@H]1CCC(F)(F)C1)NCc1cc(Cl)ccc1O 846473080 IKZXWGADISQIBA-SECBINFHSA-N 303.736 3.487 10 10 DGCE CC[C@@H](N[C@@H]1CCN(c2ccc(OC)cc2)C1)C1CCOCC1 850487140 GJQVORLNWIVZII-VQIMIIECSA-N 318.461 3.069 10 10 DGCE COc1cccc(O)c1CNCC(F)(F)c1cccc(F)c1 850354513 LOGCWZHLMFLHII-UHFFFAOYSA-N 311.303 3.422 10 10 DGCE Cc1cc(CC(=O)N(C)Cc2cnc[nH]2)c(C)n1-c1ccccc1 855135789 WNUSTZUFGNMQEW-UHFFFAOYSA-N 322.412 3.018 10 10 DGCE O=C(O)[C@H](CNCc1ccc(N2CCCCC2)cc1)C1CCC1 854245347 JHPIMQFYQRYDIP-GOSISDBHSA-N 316.445 3.267 10 10 DGCE COC(C)(C)C(=O)NCc1cc(C)n(-c2ccccc2)c1C 863165317 SOYGPTLPWQZIMO-UHFFFAOYSA-N 300.402 3.135 10 10 DGCE C[C@H]1c2ccccc2C[C@H]1NC(=O)N[C@H](C)c1ccccc1O 868766717 CSGXAYQITPIFQV-OGHNNQOOSA-N 310.397 3.481 10 10 DGCE Fc1cc(CN[C@@H]2CC3CCC2CC3)ccc1N1CCOCC1 767931006 ZSJSRPPFDMVFCJ-JFUPDXTOSA-N 318.436 3.331 10 10 DGCE COc1ccc(O)c(CN(C)[C@@H](C)[C@@H]2Cc3ccccc3O2)c1 775740556 OBKGHFFBPHAGCQ-DJJJIMSYSA-N 313.397 3.225 10 10 DGCE CCOc1ccc(O)c(CN[C@H](C)Cc2cccc(O)c2)c1 776174293 HOKHNWGXHTZJIT-CYBMUJFWSA-N 301.386 3.217 10 10 DGCE CCC(CC)(CNC(=O)c1cccc(O)c1O)C(F)(F)F 871263635 WUZCSDFICDESLT-UHFFFAOYSA-N 305.296 3.196 10 10 DGCE C[C@@]1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CC1(F)F 898782469 JAVNHCHIPBVIMQ-ZDUSSCGKSA-N 313.325 3.088 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@@H]3[C@@H](C2)C3(F)F)c(Br)c1 715526259 UITKAPCMJJUGDO-SZEHBUNVSA-N 318.161 3.204 10 10 DGCE CC[C@@H](C(=O)NCc1ccc(O)cc1O)c1ccc(F)cc1 1162278298 GKVOTFPTBSUDFH-OAHLLOKOSA-N 303.333 3.047 10 10 DGCE O=C(NCc1ccc(O)cc1O)C1(Sc2ccccc2)CC1 1162279242 XANVZFUOAJDDBT-UHFFFAOYSA-N 315.394 3.039 10 10 DGCE CCNc1ncc(C(=O)N[C@@H](C)c2ccccc2O)cc1Cl 1347464175 UYPCXZQFGQCWNF-JTQLQIEISA-N 319.792 3.363 10 10 DGCE CNCc1ccc(N(Cc2ccccc2)C2(CO)CCC2)cc1 1915764138 NPSVQJPJESIGGK-UHFFFAOYSA-N 310.441 3.328 10 10 DGCE Cc1ccnc(CN2CCC(N=[N+]=[N-])CC2)c1Br 1912172222 SBUBHOLXWVVUNX-UHFFFAOYSA-N 310.199 3.427 10 10 DGCE CC(C)NCc1ccc(N(C)CCF)cc1Br 1916509950 ASUUGULXIBZKDZ-UHFFFAOYSA-N 303.219 3.353 10 10 DGCE O=C(c1cc(O)cs1)N1CCC(OCC2CCCC2)CC1 1294405350 VQEVRDBXZTTXJI-UHFFFAOYSA-N 309.431 3.265 10 10 DGCE CCC1=NN(CC)C(=O)/C1=C/c1cccc(Br)c1 1865656311 DZLLCAUPNXQWFU-FMIVXFBMSA-N 307.191 3.461 10 10 DGCE C[C@H](NC(=O)c1cc(F)cc(F)c1N)c1ccc(N(C)C)cc1 1625544177 QSTIXDKQAXLXOM-JTQLQIEISA-N 319.355 3.104 10 10 DGCE CON(C[C@@H]1CCC[C@H](C)C1)C(=O)/C=C\c1ccc(O)c(O)c1 1636923189 XJYIDZAVVBTVNY-UMNYSTRASA-N 319.401 3.327 10 10 DGCE Cc1ccc(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)nc1 1570688537 MJPLZGYUBJIVIQ-UHFFFAOYSA-N 320.396 3.123 10 10 DGCE C[C@@H]1CCc2sc(C(=O)NCc3cc(O)ccc3O)cc2C1 1651223029 WQOGYZBBCGFFHH-SNVBAGLBSA-N 317.410 3.214 10 10 DGCE CSc1nc2ncnc(NCc3c(O)cccc3F)c2s1 1651438679 PHBSZXHRDXWLIN-UHFFFAOYSA-N 322.390 3.265 10 10 DGCE O=Cc1cnc(Sc2ccc(Br)cn2)s1 1934294666 JSMARXGYDGRISH-UHFFFAOYSA-N 301.190 3.264 10 10 DGCE CC(C)(C)OC(=O)N1CCN(CCCCN=[N+]=[N-])C(C)(C)C1 1962299157 KWRWVTLDGVPWGA-UHFFFAOYSA-N 311.430 3.408 10 10 DGCE C[C@@H]1CN(CCCN=[N+]=[N-])C[C@@]1(C)CNC(=O)OC(C)(C)C 1962304969 PYWVJKYRCGLLHH-IUODEOHRSA-N 311.430 3.170 10 10 DGCE CN[C@H](c1ccccc1O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C 1936973414 JZHNKVFXXFAQNW-WWGRRREGSA-N 320.433 3.298 10 10 DGCE CCOC(=O)c1cccc(N)c1N[C@H](CC)c1nccs1 161188222 KWFQJIDNBMTQCO-GFCCVEGCSA-N 305.403 3.465 10 10 DGCE COCCNCc1ccc(N(C)C2CC2)cc1C(F)(F)F 167348719 GOHADMSVOHKJFV-UHFFFAOYSA-N 302.340 3.040 10 10 DGCE Cc1csc([C@@H]2CN(Cc3cc(C)c(C)cc3O)CCO2)n1 156511996 HPCYKWPDXRKFPP-INIZCTEOSA-N 318.442 3.347 10 10 DGCE C[C@H]1C[C@H]1Cn1c(-c2ccccc2)cnc1SCC(=O)O 159834316 RSMLBKUFOXIAKT-AAEUAGOBSA-N 302.399 3.383 10 10 DGCE CCCCOc1ccc(/C=C2/C(=O)N(C)N=C2CC)cc1OC 1865671037 GPMKHRXZXWCBJU-SDNWHVSQSA-N 316.401 3.496 10 10 DGCE CCOc1ccc(N2CCN(CCc3ccccc3)CC2)cc1 1201610393 UMYQPEHLQIWGPE-UHFFFAOYSA-N 310.441 3.450 10 10 DGCE NCc1ccc(N2CCCC[C@@H](F)C2)cc1Br 1946943566 HAUHLNHGZQKWEM-LLVKDONJSA-N 301.203 3.236 10 10 DGCE Oc1cccc(Br)c1CNCc1conc1C1CC1 1967735494 CRRMXCRVGDNDIC-UHFFFAOYSA-N 323.190 3.310 10 10 DGCE C[C@H]1N(c2ccc(CN)cc2Br)CCC1(F)F 2004607706 OLKTTZWCMNHWRA-MRVPVSSYSA-N 305.166 3.142 10 10 DGCE CCNCc1ccc(N(C)C2CSC2)c(C(F)(F)F)c1 2145061445 BDFBTVLPASHFOA-UHFFFAOYSA-N 304.381 3.367 10 10 DGCE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1Nc1c(N)cccc1F 1977690783 WHZFQWJKYPFVAU-FZMZJTMJSA-N 323.412 3.465 10 10 DGCE CN(C)c1ccc([C@H](O)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 1977958163 LKYVUROPTUNKFA-ZBFHGGJFSA-N 320.433 3.043 10 10 DGCE CN(c1ccc(N)cc1)[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 1980490026 ASOSCTNROJKRSP-MRXNPFEDSA-N 319.449 3.495 10 10 DGCE Cc1ccc(CN[C@@H]2CCCN(Cc3ccccc3)C2)c(O)c1 1994456573 NKJYHWSCCSLPHO-LJQANCHMSA-N 310.441 3.455 10 10 DGCE C[C@@H]1CCC[C@@H](S(=O)(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)C1 2155555357 MXODGWUTMSVVBJ-JHJVBQTASA-N 300.428 3.060 10 10 DGCE C[C@H](O)c1ccc(N2C[C@H]3C[C@H]2[C@H]2C[C@@H]32)cc1Br 2041509971 AGOHZSALKXPWCT-UZXQKNFXSA-N 308.219 3.347 10 10 DGCE C[C@H]1C[C@H](N(C)c2ccc([C@H](C)N)c(Br)c2)CO1 401560723 GHQCFCZPQLLPRF-NHCYSSNCSA-N 313.239 3.082 10 10 DGCE C[C@H](CC(=O)NCCN=[N+]=[N-])c1ccc(Br)cc1 706114902 MNWLYDUKILXJCU-SECBINFHSA-N 311.183 3.369 10 10 DGCE Cc1ccc(O)c(CNCc2ccncc2Br)c1 686555673 VESANYDXDGFAIM-UHFFFAOYSA-N 307.191 3.148 10 10 DGCE CN1CCc2cc([C@@H](O)c3c(Cl)cncc3Cl)ccc21 2163072406 AKQCSSUMUBUDKO-OAHLLOKOSA-N 309.196 3.462 10 10 DGCE C[C@H]1C[C@@H](N(C)Cc2cc(Br)ccc2O)CCO1 721481050 YEUQOGSQMPMLAZ-GWCFXTLKSA-N 314.223 3.154 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1coc(CC2CC2)n1 2064348864 XSEJZBULDBLJOY-UHFFFAOYSA-N 322.364 3.416 10 10 DGCE Cc1ccc(O)c([C@H](C)n2nc(C(C)C)cc2C(=O)N(C)C)c1 2070084007 MTLIAUGRZSGVCR-ZDUSSCGKSA-N 315.417 3.332 10 10 DGCE CN(Cc1ccc(N)cc1)Cc1ccc(Br)nc1 2044694544 WBISVERHCBURTO-UHFFFAOYSA-N 306.207 3.058 10 10 DGCE CCNCc1ccc(N2CC[C@H]2C(F)F)c(Br)c1 2051807505 UOFJZZCWSPZBHK-LBPRGKRZSA-N 319.193 3.402 10 10 DGCE CN[C@@H](C)c1cc(F)c(N2CC(C)(CSC)C2)c(F)c1 2194697611 PFTPJWBKCRLVIV-JTQLQIEISA-N 300.418 3.435 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN1CCc1ccc(Br)cn1 2059060318 VPPVCEUZLMJOJR-LBPRGKRZSA-N 310.199 3.161 10 10 DGCE CC[C@]1(C)C[C@H](NCc2cccc(Br)c2O)CO1 2069117217 JLCLOCRMOPOPGC-SMDDNHRTSA-N 314.223 3.202 10 10 DGCE Nc1ccc(CCOc2c(N)cccc2Br)cc1 2078139658 MKFFXNYYOZEGIZ-UHFFFAOYSA-N 307.191 3.235 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1C[C@]2(C)Oc1ccc(N)cc1 2210397973 AFMATLMDORQTCU-VKJFTORMSA-N 318.417 3.436 10 10 DGCE CCCN[C@](CSc1nccs1)(C(=O)O)C1CCCC1 2208184354 YHNJUTZKBKLHIC-AWEZNQCLSA-N 314.476 3.248 10 10 DGCE Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])oc1Br 2218737758 KJMAKERUNAUJBT-SFYZADRCSA-N 313.155 3.312 10 10 DGCE OCc1ccc(N2C[C@@H]3C[C@@H](C(F)(F)F)[C@@H]3C2)cc1Cl 2281134921 WBHWPMHGUGEZPU-MVWJERBFSA-N 305.727 3.467 10 10 DGCE CCN(C(=O)[C@H]1CCN(Cc2ccccc2)C1)c1ccc(N)cc1 2249021454 VVYOTBWDXPDANA-KRWDZBQOSA-N 323.440 3.144 10 10 DGCE Cc1ccc(N=Nc2c(C(=O)O)nc3ccc(C(=O)O)cn23)cc1 2295926734 VPYJECSALWYPSW-UHFFFAOYSA-N 324.296 3.455 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)NCCc1cc2ccccc2o1 2307987789 LNWYCDXFYWYJCY-UHFFFAOYSA-N 323.348 3.216 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 2307990528 VPJXWCYSMQCEDD-OLMNGRFOSA-N 313.397 3.052 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)Nc1cccc(-c2ncc[nH]2)c1 2308000630 CLGVUJPTQJLTSF-UHFFFAOYSA-N 321.336 3.140 10 10 DGCE COc1cc(N=NN2C[C@@H](C)O[C@H](C)C2)c(OC)cc1Cl 2330192270 BUNGKWQGNDNHMX-NXEZZACHSA-N 313.785 3.465 10 10 DGCE CC(C)N[C@@](CO)(CSc1nccs1)[C@H]1CC1(C)C 2340947416 XJVHFHLRVFUPBL-FZMZJTMJSA-N 300.493 3.010 10 10 DGCE Cc1nccn1C[C@H]1CCCN1Cc1cc2c(cc1O)CCC2 176084410 AKISLLOAVZCJOY-GOSISDBHSA-N 311.429 3.050 10 10 DGCE Nc1ccc(CCNC(=O)COc2cccc3ccccc23)cc1 179043199 IKRSPHVYJBFMMZ-UHFFFAOYSA-N 320.392 3.160 10 10 DGCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(CN=[N+]=[N-])cc1)C(=O)O 309890706 DMNMAHJEMCIRPE-LBPRGKRZSA-N 320.349 3.017 10 10 DGCE C[C@@H](NCc1nccn1C(F)F)c1ccc(F)c(F)c1O 187672944 ZSTUNIXFTYPMBI-SSDOTTSWSA-N 303.259 3.113 10 10 DGCE COc1ccc(N(CC[C@@H]2CCOC2=O)[C@@H](C)C2CC2)cc1 120533803 YUFFJVDRCMWMIP-DZGCQCFKSA-N 303.402 3.253 10 10 DGCE COC(=O)C[C@H](NCc1cc(C)ccc1O)c1cccs1 71407676 UABPNNIGDSDSEB-ZDUSSCGKSA-N 305.399 3.156 10 10 DGCE CN(C)c1ccc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1F 194009928 MQFDAOLKYXJKRD-ZTFGCOKTSA-N 318.436 3.329 10 10 DGCE CC[C@@H](CNC(=O)OC(C)(C)C)NCc1ccc(N(C)C)cc1 227726442 LWDSAUHWJZPOMK-HNNXBMFYSA-N 321.465 3.146 10 10 DGCE CC(C)(C)OC(=O)NCCNCc1c(O)ccc2ccccc12 227600740 QHDXMLLZYXTRCV-UHFFFAOYSA-N 316.401 3.160 10 10 DGCE CSc1ncc(CN[C@]2(C(=O)O)CC(C)(C)C[C@H]2C)s1 2371898158 PEEKRUDUGGEWJN-YMTOWFKASA-N 314.476 3.234 10 10 DGCE CNCc1ccc(N(C)[C@@H]2CCN(Cc3ccccc3)C2)c(C)c1 383462009 JMKAHCCMYCZCCR-HXUWFJFHSA-N 323.484 3.425 10 10 DGCE Cc1cc(C(=O)NC2C[C@@H]3CC[C@H](C2)N3)c(C)n1-c1ccccc1 237859980 BOBHPRWXJJUYKX-SJPCQFCGSA-N 323.440 3.107 10 10 DGCE C[C@H](N[C@@H](C)[C@@H](O)Cc1ccccc1)c1ccc(F)c(F)c1O 249095617 OGEYJUFJNYMGPG-MKBNYLNASA-N 321.367 3.313 10 10 DGCE CCO[C@@H]1C[C@@H](N[C@H](C)c2ccc(C)cc2O)C12CCOCC2 248651022 XBFRXRIDNGRXCA-ZTFGCOKTSA-N 319.445 3.325 10 10 DGCE CCOC(=O)c1[nH]c2ccc(OC)cc2c1N=NN1CCCC1 254392356 IBRXRSDESDDMOL-UHFFFAOYSA-N 316.361 3.448 10 10 DGCE CN(C)c1ccc(CNC(=O)NC/C=C\c2ccccc2)cc1 255644201 XAGUGDJIOMGIQW-TWGQIWQCSA-N 309.413 3.265 10 10 DGCE O=[N+]([O-])c1cccnc1N1CC=C(c2ccc(Cl)nc2)CC1 367359007 ROEMRPCXMWWIQD-UHFFFAOYSA-N 316.748 3.332 10 10 DGCE C[C@H](N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)c1ccccc1O 373862180 GCQKKVDPEFMCNE-XHSDSOJGSA-N 316.445 3.224 10 10 DGCE C[C@H](O)c1ccc(N(C)Cc2cc(Cl)n(C)n2)c(Cl)c1 2166508397 UCZBZLPKLSJZMH-VIFPVBQESA-N 314.216 3.417 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc2cc[nH]c12 808095518 HZUZVMJYKXXPDE-UHFFFAOYSA-N 315.369 3.289 10 10 DGCE C[C@@H](N[C@H]1C[C@@H]2C[C@@H]2C1)c1ccc(N2CCOCC2)c(F)c1 818359365 JMYFKTRYPQCXLZ-DMRZNYOFSA-N 304.409 3.111 10 10 DGCE Cc1cc(F)ccc1[C@H](O)CNCc1ccc(N(C)C)c(F)c1 818984571 CNBFWCIOIYTSOH-GOSISDBHSA-N 320.383 3.162 10 10 DGCE COc1ccnc(CNCc2cc(Cl)cc(C)c2O)c1F 827260270 NAJDVLCMCUXVGW-UHFFFAOYSA-N 310.756 3.187 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)[C@H]2C[C@@H]2c2ccccc2)c1 839652034 YMGACMFKWSEKKH-VUCTXSBTSA-N 311.381 3.382 10 10 DGCE Oc1cccc2c1[C@H](NC[C@@H]1CC[C@@H](C(F)(F)F)O1)CC2 903174990 BRECDKGGDNSCQR-LOWVWBTDSA-N 301.308 3.079 10 10 DGCE CCn1nncc1CN(c1ccc(OC)cc1)[C@H](C)C1CC1 838895936 QJXXJEAWKNDKGA-CYBMUJFWSA-N 300.406 3.112 10 10 DGCE Cc1ccc(CN[C@]23C[C@H]2CN(Cc2ccccc2)C3)c(O)c1 1897934290 CNECSZZLSOQOTR-ICSRJNTNSA-N 308.425 3.065 10 10 DGCE C[C@@H](NC[C@@H]1C[C@H]1C(F)(F)F)c1cc([N+](=O)[O-])ccc1O 926951615 SFAVUWVBEHOSOT-VHSKPIJISA-N 304.268 3.149 10 10 DGCE Cc1cc(CN2C[C@H](C)C(O)[C@@H](C)C2)ccc1N1CCCCC1 852499929 CIKJBHVTVCKKCZ-IRXDYDNUSA-N 316.489 3.434 10 10 DGCE Oc1ccc2oc3c(c2c1CN1CCC2(COC2)C1)CCCC3 853594161 AJNDXDRNQSKCDO-UHFFFAOYSA-N 313.397 3.240 10 10 DGCE FC(F)Oc1ccc(N2CCC(NCc3cocn3)CC2)cc1 758334117 DTTFCAIDJQZVKS-UHFFFAOYSA-N 323.343 3.035 10 10 DGCE CC[C@@H](C)[C@@H](NC(=O)N1Cc2cccc(O)c2C1)C(F)(F)F 931097770 ZQARJNGGUYHXRG-NOZJJQNGSA-N 316.323 3.394 10 10 DGCE COc1cccc(O)c1CN(C)CCOc1ccc(C)cc1 768211768 DEXDDNYORNSNCY-UHFFFAOYSA-N 301.386 3.220 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CCC23CCOCC3)c1O 769894070 STHJQMULFRIPOE-UHFFFAOYSA-N 309.793 3.003 10 10 DGCE Cc1cccc(O)c1CNCC[C@H]1CCC2(CCOCC2)CO1 895799060 GRGYTRGZVNUBRR-MRXNPFEDSA-N 319.445 3.156 10 10 DGCE NCc1ccc(N2CC[C@H](C(F)F)C2)c(F)c1Br 706395287 SGFJXJCTOPHNSA-QMMMGPOBSA-N 323.156 3.138 10 10 DGCE CC(C)(C)OC(=O)NCCC(C)(C)[C@@H](N)c1ccccc1O 1959507280 KCLPLOQCITUUSS-AWEZNQCLSA-N 308.422 3.333 10 10 DGCE COc1ccc(CNC(=O)[C@@H]2[C@@H](C)[C@@H]2c2ccccc2)c(O)c1 797762284 WGWAYTDDPLYIPR-JBBXEZCESA-N 311.381 3.067 10 10 DGCE C/C(=C/c1ccccn1)C(=O)NCc1ccc2cccnc2c1O 1162612241 FKOONDDDQGCMAU-QBFSEMIESA-N 319.364 3.055 10 10 DGCE CC[C@@H](NCc1cnn(C)c1Br)c1ccccc1O 2116555397 RVDMTYYHTNDRSM-GFCCVEGCSA-N 324.222 3.129 10 10 DGCE CN(C)c1ccc(CN2CC[C@@]23CCOC3)c(C(F)(F)F)c1 1325473265 DYTLXARTMCBRHE-HNNXBMFYSA-N 314.351 3.136 10 10 DGCE NCc1ccc(N2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1 1906890330 SOTQEVXUSZQDAV-WOJBJXKFSA-N 321.468 3.104 10 10 DGCE C[C@H]1CO[C@H](C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1 1332723328 GAFBWZVIZLRKDW-QAPCUYQASA-N 316.445 3.060 10 10 DGCE CC[C@@H]1C[C@H]1C(=O)NCC[C@H](C)NCc1ccc(OC)c(C)c1 1266175178 GBSLEKWHDHERLN-USXIJHARSA-N 318.461 3.034 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCC[C@H](C)C2)cc1 1527594697 DSDGNIXAOSLNEY-JKSUJKDBSA-N 318.461 3.416 10 10 DGCE Cc1ncc(/C=C\C(=O)N2CCOc3cc(F)c(F)cc32)s1 1537928892 RSSRECMBRWZRES-IHWYPQMZSA-N 322.336 3.169 10 10 DGCE Oc1c(CNc2nccc(C(F)(F)F)n2)ccc2cccnc12 1612507806 XXBACRFSZAWUPX-UHFFFAOYSA-N 320.274 3.361 10 10 DGCE CCOC(C)(C)C(=O)NCc1ccc(N(CC)CC)c(F)c1 1616923822 AZOONOUYJVCYNV-UHFFFAOYSA-N 310.413 3.103 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)NCC1(CC2CC2)CC1 1479194269 YGSKBVYTEBZNSX-UHFFFAOYSA-N 308.809 3.425 10 10 DGCE C[C@H]1C[C@@H]1n1c(CC2CC2)nnc1N(C)Cc1ccccc1O 1708002017 ORWHUJXTKXXKFK-WFASDCNBSA-N 312.417 3.154 10 10 DGCE Cc1cc(CN[C@H]2CCOCC23CCCC3)ccc1N(C)C 1620676964 HOQJYZOJTQVWNO-SFHVURJKSA-N 302.462 3.500 10 10 DGCE C[C@H](NC(=O)c1cccnc1C(F)(F)F)c1ccccc1O 1632255729 UMFWZDHVEJDETI-VIFPVBQESA-N 310.275 3.297 10 10 DGCE Cc1cc(C)cc(N(C)C(=O)c2cccnc2-c2cnn(C)c2)c1 1630747028 PAGSKKOOZZPMBS-UHFFFAOYSA-N 320.396 3.376 10 10 DGCE O=C(Nc1ccc(-c2nncs2)cc1)c1cc(O)cs1 1568399190 LUVSSUMPEWXSBC-UHFFFAOYSA-N 303.368 3.225 10 10 DGCE COCCC[C@@H](C)C(=O)NCc1c(O)ccc2ccccc12 1635965041 JUWITYBTBSWZKE-CYBMUJFWSA-N 301.386 3.224 10 10 DGCE O=C(NCc1c(O)cccc1F)NC[C@H]1CCC[C@@H]1C1CC1 1564921806 MCLMPUHCDXXVMJ-CHWSQXEVSA-N 306.381 3.157 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H]1CC[C@H](C)O1 1570152585 RBHUWRSJFXKJBO-KBPBESRZSA-N 318.442 3.453 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)N[C@@H](C)C[C@@H](C)O)c1 1597435510 LPTNDPUNQMSGSA-XJKSGUPXSA-N 314.429 3.292 10 10 DGCE CCc1cccc(CC(=O)N[C@@H](C)c2cc(OC)ccc2O)c1 162188696 LMFSYHHBCPBGDV-ZDUSSCGKSA-N 313.397 3.383 10 10 DGCE CC(=O)[C@H](C)CCCCC(=O)NCc1ccc(N(C)C)cc1 153657428 DPFSBZLJDJWZPL-CQSZACIVSA-N 304.434 3.154 10 10 DGCE CCN(C)c1ccc([C@H](C)NCc2cccnc2N(C)C)cc1 154738161 MBTYMELQLIBJQP-HNNXBMFYSA-N 312.461 3.455 10 10 DGCE C[C@H]1C[C@@H]1Cn1c(-c2ccccc2)cnc1SCC(=O)O 159834065 RSMLBKUFOXIAKT-WCQYABFASA-N 302.399 3.383 10 10 DGCE CCN[C@@](CSc1nccs1)(C[C@H](C)CC)C(=O)O 2142864879 LTGLICRFZYEYRH-ZWNOBZJWSA-N 302.465 3.104 10 10 DGCE COC[C@](C)(NCc1cccc(Br)c1O)C1CC1 1967797150 NVJZRDXPQHBJSO-AWEZNQCLSA-N 314.223 3.059 10 10 DGCE N[C@H](c1ccccc1O)[C@@H](O)c1ccsc1C(F)(F)F 2148147959 MYNMBVMROKDRJR-MNOVXSKESA-N 303.305 3.206 10 10 DGCE O=C(O)C[C@@H](NCc1ccc(Cl)cc1O)c1cccs1 2146307698 CUJZBKQJFYITST-LLVKDONJSA-N 311.790 3.413 10 10 DGCE C[C@H](O)CN(Cc1ccccc1)c1ccc2c(c1)CCC[C@@H]2O 1986598837 AKFCMLSYWSFWDF-YWZLYKJASA-N 311.425 3.444 10 10 DGCE C[C@H](CCO)N(Cc1ccccc1)c1ccc2c(c1)CC[C@H]2N 1986607023 SMVACBMBLQMRJC-FOIQADDNSA-N 310.441 3.410 10 10 DGCE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](C2)[C@H]1COc1ccc(N)cc1 1992434743 GCACOLVIEUNYNA-DUVNUKRYSA-N 318.417 3.436 10 10 DGCE COCCCN(Cc1ccccc1)c1ccc(CO)c(OC)c1 1994424161 CNVZLBWUBZZTOL-UHFFFAOYSA-N 315.413 3.231 10 10 DGCE CCN1CCC[C@H](NCc2cc(Cl)cc(Cl)c2O)C1 40502301 DHMORZTZBIZDRT-LBPRGKRZSA-N 303.233 3.273 10 10 DGCE C[C@H](N)c1ccc(N(C)C[C@H]2C[C@H]2F)c(Br)c1 2014705018 NVDUINPETOCLTI-MKPLZMMCSA-N 301.203 3.263 10 10 DGCE CCC(F)(F)CN(C)c1ccc(CO)c(Br)c1 692397661 CAYMTMCLLHJVLP-UHFFFAOYSA-N 308.166 3.423 10 10 DGCE CN[C@H](C)c1ccc(N2C[C@@H](F)[C@H](F)C2)cc1Br 714740793 WDCVUAITJUAKNB-BZHVJNSISA-N 319.193 3.226 10 10 DGCE Cc1ccc([C@H](C2CC2)n2nc(C)c(CN)c2Cl)c(O)c1 2079131804 ZKEYXIMOIPELKU-HNNXBMFYSA-N 305.809 3.317 10 10 DGCE Oc1ccc(Br)cc1CNC[C@@H]1C[C@@H]1C(F)(F)F 2041785488 WNBDPYKQQXJIQN-XVKPBYJWSA-N 324.140 3.443 10 10 DGCE CS[C@H](CNCc1cc(Br)ccc1O)C1CC1 2212997609 XKRCZGKTFKQPIY-CYBMUJFWSA-N 316.264 3.386 10 10 DGCE CCNC1CCN(c2ccc(OC)cc2Br)CC1 2221628223 UQAUPRGVDQQBHD-UHFFFAOYSA-N 313.239 3.036 10 10 DGCE CSc1ncc(CNC[C@]23CCCC[C@H]2NCCC3)s1 2284709706 FQIWNRRUCNUPPO-UKRRQHHQSA-N 311.520 3.267 10 10 DGCE CCOC(=O)[C@@]1(N)CCCC[C@@H]1CCSc1nccs1 2288732647 BOUUKMBFZNXMQC-BXUZGUMPSA-N 314.476 3.076 10 10 DGCE Cc1ccc(CN[C@H]2[C@H](C)C2(F)F)c(O)c1Br 2307565240 KZTXMFJTZXOKEX-CPCISQLKSA-N 306.150 3.206 10 10 DGCE COCC[C@@H](C)CNCc1ccc(C)c(Br)c1O 2327621354 MHPYKJJSKAVNTM-SNVBAGLBSA-N 316.239 3.225 10 10 DGCE Oc1cccc(Br)c1CN[C@H]1CCc2cccnc21 2337870014 CNZBASZOBSSUPD-ZDUSSCGKSA-N 319.202 3.327 10 10 DGCE [N-]=[N+]=NCCN[C@H](C(N)=O)c1c(Cl)ccc(Cl)c1Cl 2339223650 RBBJIKJWGOPIQF-VIFPVBQESA-N 322.583 3.073 10 10 DGCE C[C@H](NC[C@@]1(C)CCCS1)c1ccc(N2CCOCC2)cc1 120386876 SEQZMVBVCFQXBN-MAUKXSAKSA-N 320.502 3.460 10 10 DGCE CCN(C)c1ccc([C@@H](C)NCc2nnc3ccccn23)cc1 183822535 UOZLZGBYGKMMLG-CQSZACIVSA-N 309.417 3.036 10 10 DGCE COc1ccc(O)c([C@H](C)NC[C@](C)(O)C2CCCCC2)c1 188680895 WZXCZZLFQOGMTB-UGSOOPFHSA-N 307.434 3.383 10 10 DGCE CN(CC[C@@H](O)c1cccs1)c1ccc(CO)cc1Cl 2365923403 CBVJBOFLASZOJV-CQSZACIVSA-N 311.834 3.454 10 10 DGCE COC(=O)c1cc(NCc2cccc(O)c2O)ccc1Cl 41116863 KJVORVHMLSJTJP-UHFFFAOYSA-N 307.733 3.150 10 10 DGCE CN(C)[C@H](CNCc1ccc2c(c1)CCO2)C1CCCCC1 97503618 PCJDONCVBISJBX-GOSISDBHSA-N 302.462 3.222 10 10 DGCE CC(=O)N(C(=O)Cc1cccc(Cl)c1)c1ccc(N)cc1 242950212 HELCXHXLZLWQIL-UHFFFAOYSA-N 302.761 3.044 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CC(C)(C)OC2(C)C)c1 528864388 ZPPASONIMFAWQP-BXUZGUMPSA-N 321.417 3.172 10 10 DGCE C[C@H](N[C@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C)c1ccccc1O 366966018 KFJBOBYAPKUAIE-DAYGRLMNSA-N 324.424 3.232 10 10 DGCE CCOc1ccc(CN2CCOc3cccc(F)c3C2)c(O)c1 802656741 TVUGTPKVKXCTEI-UHFFFAOYSA-N 317.360 3.325 10 10 DGCE CCCN(c1ccc(CN)cc1)[C@H]1CCO[C@@H](C(F)(F)F)C1 809654497 FTNQEMSSGQAJOQ-LSDHHAIUSA-N 316.367 3.472 10 10 DGCE Oc1cc2c(cc1CNCC1CC(c3ccccc3)C1)OCO2 801730143 GTRZJVYENPILIN-UHFFFAOYSA-N 311.381 3.404 10 10 DGCE Cc1cc(Cl)cc(CN2CC[C@]3(CCCN(C)C3)C2)c1O 816643064 UDTJHSMRWPDUAQ-KRWDZBQOSA-N 308.853 3.272 10 10 DGCE C[C@@H](NCC[C@H]1CCCN1)c1ccc(N2CCCCC2)cc1 817969091 RJPHSDINXZIRCQ-SJLPKXTDSA-N 301.478 3.470 10 10 DGCE O=C1c2ccccc2C(=O)c2cc(NC(=O)[C@H]3CC34CC4)ccc21 817427217 PWHLISQLTHQRBZ-MRXNPFEDSA-N 317.344 3.201 10 10 DGCE COc1ccc(N(C)C(=O)/C=C\c2ccc(C)nc2)cc1F 492505380 QDEZPALRHCMBLT-TWGQIWQCSA-N 300.333 3.214 10 10 DGCE C[C@@H](CC(=O)NCc1ccc(N(C)C)c(F)c1)c1cccnc1 734428822 BZFHIMXRGISIEB-ZDUSSCGKSA-N 315.392 3.097 10 10 DGCE Cc1cc(N(C)C)ccc1CN[C@@H](C1CCOCC1)C1CC1 846045216 VUZKLNJIIIEARD-LJQANCHMSA-N 302.462 3.356 10 10 DGCE Cc1cc(O)c(CNC[C@@H](O)Cc2ccccc2)c(Cl)c1 840891640 JMVZDWGFTZZBND-AWEZNQCLSA-N 305.805 3.047 10 10 DGCE C/C(=C\c1ccncc1)C(=O)NCc1ccc2c(c1)CCCN2C 846841188 ANRUGAGWZHSFHV-NTCAYCPXSA-N 321.424 3.184 10 10 DGCE Cc1cc(O)c(CNCCNc2cccc(C)n2)c(Cl)c1 840905806 TUAXCEMFAOSQMJ-UHFFFAOYSA-N 305.809 3.259 10 10 DGCE CCN(C)c1ccc([C@@H](C)N[C@H]2C[C@@H]3OC(C)(C)O[C@@H]3C2)cc1 927056644 CUVGHXCKNKEQAT-UWIFEVILSA-N 318.461 3.476 10 10 DGCE COC(=O)/C=C\c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 931268860 GLGTVTIMPRXPMS-BXLSQVKPSA-N 318.373 3.263 10 10 DGCE O=C(NCc1cccc(Cl)c1O)Nc1cc2c(cn1)CCC2 931570161 FPFQMPAFEMZXMO-UHFFFAOYSA-N 317.776 3.251 10 10 DGCE CS[C@@H]1CC[C@@H]1N[C@@H](C)c1ccc(N2CCOCC2)cc1 766603057 MDJIYMHIRLLKTJ-RRQGHBQHSA-N 306.475 3.068 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)c1cc2c([nH]1)CCCC2 1137443492 RWBWWCUJGPAXPD-UHFFFAOYSA-N 324.424 3.408 10 10 DGCE C[C@H](N)c1ccc(N2CCC[C@H](F)C2)c(Br)c1 689389531 VUXVFSMMHNJECI-ONGXEEELSA-N 301.203 3.407 10 10 DGCE C[C@@H](c1cc(F)ccc1O)N(CC(=O)O)Cc1ccccc1 692417147 ZZIFUPARONYLFA-LBPRGKRZSA-N 303.333 3.179 10 10 DGCE Cc1ccc(O)c(CNC(=O)Cc2c[nH]c3cc(C)ccc23)c1 1301046512 DJGGMJUDCMKXSZ-UHFFFAOYSA-N 308.381 3.349 10 10 DGCE OCc1cnc(Sc2nccs2)n1Cc1cccc(F)c1 1163450278 ORZICXIKRHVGPH-UHFFFAOYSA-N 321.402 3.171 10 10 DGCE C[C@@H](NCC1CCC2(CC1)OCCO2)c1ccc(F)cc1O 193381141 JERYGRUHKUAIDR-GFCCVEGCSA-N 309.381 3.115 10 10 DGCE O=[N+]([O-])c1cnc(NCc2ccc(N3CC=CC3)cc2)c(F)c1 1185479539 UPCBTTHVZQMSFI-UHFFFAOYSA-N 314.320 3.117 10 10 DGCE COc1ccc(CNC[C@@H](C)N(C)C(=O)C=C2CCC2)cc1C 1268059765 CQAKVNVGLFUOQC-OAHLLOKOSA-N 316.445 3.050 10 10 DGCE Cn1cnc(/C=C/C(=O)N(Cc2ccco2)c2ccccc2)c1 1351711021 RJWQLKXUKXDJGX-MDZDMXLPSA-N 307.353 3.260 10 10 DGCE O=C(NCC[C@@H]1CC[C@H]2C[C@H]12)c1cc2cc(O)c(O)cc2s1 1455845379 AFJCYCSINDXFFG-JBLDHEPKSA-N 317.410 3.479 10 10 DGCE CCN(CC)c1ccc(Cn2c(C)nnc2N(C)C2CC2)cc1 1295409561 DVSWYFSUAINCKA-UHFFFAOYSA-N 313.449 3.080 10 10 DGCE Cc1ccccc1[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C(C)C 1628808874 UIKIPFQHOICLLS-IBGZPJMESA-N 313.397 3.462 10 10 DGCE C[C@@H](NC(=O)NCc1ccccc1O)c1ccc2c(c1)CCC2 1564504643 ZZEUDPIAGGNLAR-CYBMUJFWSA-N 310.397 3.441 10 10 DGCE O=C(CSc1ccc(Cl)cc1)NCc1c(O)cccc1O 1647177552 DQQIUGBNOCDOBX-UHFFFAOYSA-N 323.801 3.160 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1c[nH]c2ncccc12 1652705856 PCJSCOOJEZLBOX-UHFFFAOYSA-N 317.348 3.352 10 10 DGCE Cc1nc(-c2ccccc2)oc1C(=O)NCCc1ccc(N)cc1 152589866 XXMIWTCUCCDLSH-UHFFFAOYSA-N 321.380 3.205 10 10 DGCE CC[C@@H](NCCN1C(=O)Cc2ccccc21)c1ccccc1O 155553478 QLBRVXFHJHHTOC-MRXNPFEDSA-N 310.397 3.022 10 10 DGCE CC(C)(N)[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)C1 2139886498 CFNOWURDTSJTRK-JTQLQIEISA-N 303.233 3.258 10 10 DGCE Cc1ccc([C@@H]2CC(=O)CCN2C(=O)OC(C)(C)C)c(O)c1 1952064662 OWTPCGQSCOKWJM-AWEZNQCLSA-N 305.374 3.342 10 10 DGCE CN(C)c1ccc(C2(O)CC(C)(NC(=O)OC(C)(C)C)C2)cc1 1977939256 ORZNKUUOKHKYKH-UHFFFAOYSA-N 320.433 3.017 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2CC[C@]2(COc2ccc(N)cc2)C1 1992516078 WNGVBJMHCUWPCT-FZKQIMNGSA-N 318.417 3.295 10 10 DGCE C[C@@H]1CC(F)(F)CN1c1ccc(CN)cc1Br 2004604920 LLHBJJUEKPCTCG-MRVPVSSYSA-N 305.166 3.142 10 10 DGCE CN(c1ccc(CN)c(Br)c1)C1CC(CF)C1 2006489723 LXKLWTCQTJPMOL-UHFFFAOYSA-N 301.203 3.092 10 10 DGCE CN[C@@H](C)c1ccc(N2CC[C@H]2CF)cc1Br 2011854383 KXIDHTWATCNOTC-ONGXEEELSA-N 301.203 3.278 10 10 DGCE CO[C@H]1C[C@@H](N(C)c2ccc([C@H](C)O)cc2Br)C1 2038807401 PKGFQKPDCZUQPS-ZMLRMANQSA-N 314.223 3.116 10 10 DGCE COCCNCc1ccc(N2CCC[C@H](F)C2)cc1Cl 689493934 MKIRILKWCVSIRX-ZDUSSCGKSA-N 300.805 3.014 10 10 DGCE C[C@H]1CCN(Cc2cccc(Br)c2O)C[C@H](C)O1 694871982 SDXURZIWWVKYMN-QWRGUYRKSA-N 314.223 3.154 10 10 DGCE C[C@@]1(Oc2ccc(N)cc2)CCN(CCOc2ccccc2)C1 2069574920 FAZIJDNDKWUGBD-LJQANCHMSA-N 312.413 3.191 10 10 DGCE C[C@H]1CCOCC[C@H]1NCc1c(O)cccc1Br 2046725555 KZBGEUJFPUYFMX-GXFFZTMASA-N 314.223 3.059 10 10 DGCE COC1(CN(C)c2ccc([C@H](C)N)cc2Br)CC1 2048922419 HTFPYHWAXCTHQP-JTQLQIEISA-N 313.239 3.084 10 10 DGCE CN(c1ccc(CN)c(Br)c1F)[C@H]1CCC[C@@H]1F 2055387214 GONSPFICUURHJV-UWVGGRQHSA-N 319.193 3.374 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@H]1C[C@H]2CC[C@H]1[C@@H](O)C2 2204611046 PMHQZFPYFMKBFQ-BLJJELEKSA-N 316.228 3.338 10 10 DGCE CSc1ncc(CNC[C@H](O)c2cccc(Cl)c2)s1 2208474974 HQEWREJLABGFBP-LBPRGKRZSA-N 314.863 3.342 10 10 DGCE COc1ccncc1NCc1ccc(Br)cc1O 2219986456 WPUBIZCGPFMOSA-UHFFFAOYSA-N 309.163 3.170 10 10 DGCE CCCNC[C@@H]1CCN1c1ccc(OC)cc1Br 2221628981 WLRMSSNMOGZCHO-NSHDSACASA-N 313.239 3.036 10 10 DGCE CN(Cc1ccccc1O)c1ccc(N)c(Br)c1 2221877637 FDORXRNZJKWDQC-UHFFFAOYSA-N 307.191 3.373 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)c1ncc(Cl)cc1Cl 2225795880 RIKCIBOZSZFMPU-RKDXNWHRSA-N 300.149 3.350 10 10 DGCE CC[C@@H](NCC[C@H]1CCO1)c1cc(Br)ccc1O 2264021332 JOCILSASHWZHRD-WCQYABFASA-N 314.223 3.374 10 10 DGCE CCc1nsc(CN(C)c2ccc([C@H](C)O)cc2Cl)n1 2288818546 MRLFFLUMLWIWSH-VIFPVBQESA-N 311.838 3.444 10 10 DGCE COc1ccc2c(c1)CCN2C(=O)C=Cc1scnc1C 2310089774 ZIQWOBLSNUIJCI-UHFFFAOYSA-N 300.383 3.063 10 10 DGCE CCCN1N=C(c2ccccc2)C(=Cc2ccc(O)c(O)c2)C1=O 2332094473 JFHPITLUOKICSV-UHFFFAOYSA-N 322.364 3.138 10 10 DGCE c1ccc(N2CCC[C@@H](NCc3ccc4c(c3)CCO4)C2)cc1 115622038 NZEHYERJUIBULI-GOSISDBHSA-N 308.425 3.380 10 10 DGCE Cc1cc(CNC(=O)c2cccnc2)c(C)n1-c1ccccc1 62577255 AQLCFHMTXNIOCV-UHFFFAOYSA-N 305.381 3.419 10 10 DGCE CCCNCc1ccc(N2CCOC[C@H](F)C2)cc1Cl 2361808253 KHHLHDSGZMFJMW-CYBMUJFWSA-N 300.805 3.014 10 10 DGCE CC[C@H](NC(=O)NCc1ccc(N(C)C)cc1)c1nccs1 121187110 ADMAOPQQICLZIH-AWEZNQCLSA-N 318.446 3.160 10 10 DGCE Cc1cccc(CN2CCC[C@H]2CNC(=O)OC(C)(C)C)c1O 180530224 YVWYNIIELOOGCI-HNNXBMFYSA-N 320.433 3.190 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H](F)[C@@H]1c1cccc(N)c1O 1953074341 VNMBHZVMTGBCFI-AAEUAGOBSA-N 310.369 3.385 10 10 DGCE COc1cc(Cl)c(N(C)[C@H](CO)C(C)(C)C)c(OC)c1 2368117759 NMEBACSMOWRLFE-CYBMUJFWSA-N 301.814 3.200 10 10 DGCE CNCc1ccc(N2CCSC[C@@H]2C)c(Br)c1 234455224 ZTEVQFYMIASGPD-JTQLQIEISA-N 315.280 3.110 10 10 DGCE COc1ccc(Cl)cc1C(=O)N(C(C)=O)c1ccc(N)cc1 240763231 ATLRMRBBSYVOCQ-UHFFFAOYSA-N 318.760 3.124 10 10 DGCE CCC(CC)(CO)NCc1ccc(C)c(Br)c1O 2327799135 QNNZGPZOVGHQPC-UHFFFAOYSA-N 316.239 3.104 10 10 DGCE Nc1ccc(NC(=O)/C=C\c2ccc(Br)o2)cc1 700637706 PYHZLFTUGBDVGT-VURMDHGXSA-N 307.147 3.276 10 10 DGCE COc1cccc(CNCc2cc(Cl)cc(C)c2O)c1O 809740132 MMZAWJWILIBPEM-UHFFFAOYSA-N 307.777 3.358 10 10 DGCE CC[C@H](N[C@@H]1CCCN2CCSC[C@H]12)c1ccccc1O 903271143 JLWAOUQDGUZEES-ARFHVFGLSA-N 306.475 3.013 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)[C@H](C)CC(F)(F)F 837424902 YVSASDNNYBWDPW-LLVKDONJSA-N 302.340 3.266 10 10 DGCE CN(C)c1ccc(/C=C/CNCCc2ccc3c[nH]nc3c2)cc1 835050532 TWCGXZRQJUCBID-ONEGZZNKSA-N 320.440 3.474 10 10 DGCE C[C@H](CC(=O)NCCCSc1nccs1)n1cccc1 735054561 TWFCVCFLOLBFOK-GFCCVEGCSA-N 309.460 3.194 10 10 DGCE CC(C)(C)OC(=O)N[C@]12CCC[C@H]1CN(c1ccc(N)cc1)C2 1897282539 YECSSTXFYQCMBY-UGSOOPFHSA-N 317.433 3.152 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@@H]2CCC[C@H](N(C)C)C2)cc1 835044128 WWKPLOHTMDHXRN-JISXSJDESA-N 301.478 3.228 10 10 DGCE Cc1cc(C(=O)Nc2n[nH]cc2C2CC2)c(C)n1-c1ccccn1 843968697 WVKIQMHPXSYZMQ-UHFFFAOYSA-N 321.384 3.342 10 10 DGCE C/C(=C/c1ccncc1)C(=O)NCc1ccc2c(c1)CCCN2C 846841190 ANRUGAGWZHSFHV-QINSGFPZSA-N 321.424 3.184 10 10 DGCE CSCC(=O)NCCc1cc(C)n(-c2ccccc2)c1C 746425926 KHXSYWOZBADPPO-UHFFFAOYSA-N 302.443 3.116 10 10 DGCE CCN(CC)c1ccc(CN2CCC(C3(O)CC3)CC2)cc1F 846009184 UULXMZUTPODVPN-UHFFFAOYSA-N 320.452 3.409 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1 844855880 CECPOLPHKJHBMP-BZUAXINKSA-N 316.445 3.026 10 10 DGCE NCc1ccc2c(c1)CCCN2Cc1cc(-n2ccnc2)cs1 843058418 SCGDKRSRFZUPGK-UHFFFAOYSA-N 324.453 3.345 10 10 DGCE OC[C@]1(CNCc2cc(Cl)ccc2O)CCc2ccccc21 846011773 POVNTSZBKUOGOV-GOSISDBHSA-N 317.816 3.012 10 10 DGCE CN1CCCc2cc([C@@H]3NC(=O)c4ccc(F)cc4N3)ccc21 748095288 AAGKGQSUMKFJPQ-KRWDZBQOSA-N 311.360 3.062 10 10 DGCE CN(C[C@@H]1CCc2ccccc21)C(=O)c1c(F)ccc(O)c1O 857334894 FRUBKPITGJVVFL-LBPRGKRZSA-N 315.344 3.039 10 10 DGCE COc1cc(CN[C@H]2CCC[C@@H](CO)C2)c(O)c(C(C)(C)C)c1 850326632 APTWJWLZUZWQCA-HIFRSBDPSA-N 321.461 3.339 10 10 DGCE COC(=O)c1ccc(O)c([C@H](C)NCC[C@]2(C)CC2(F)F)c1 850535769 BEXUXLAUHMKTKM-ZUZCIYMTSA-N 313.344 3.265 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@@H](C)c3cnccc3C)C2)cc1 850489227 SCXFUTDKFGVOME-JKSUJKDBSA-N 311.429 3.328 10 10 DGCE CCC(F)(F)CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 858507986 LJDRWYNASYBEJQ-GFCCVEGCSA-N 316.367 3.358 10 10 DGCE COc1ccnc(CN[C@@H](C)c2ccc(N(C)C)cc2)c1F 850536111 CKQIGMHCAAXDRY-LBPRGKRZSA-N 303.381 3.146 10 10 DGCE C[C@H](NC(=O)NC[C@H]1CCOC2(CCC2)C1)c1ccccc1O 868668709 PLPXNCNXFSVYHK-KBPBESRZSA-N 318.417 3.102 10 10 DGCE CC(C)(C)OC(=O)C[C@H]1CCCN(Cc2ccccc2O)C1 770505345 QTRDILGUNDVUEJ-CQSZACIVSA-N 305.418 3.336 10 10 DGCE CC[C@H](NCc1ccc2c(c1)CCCN2C)[C@@H]1CCCOC1 872029554 RUJPXVDIJDWZEF-MSOLQXFVSA-N 302.462 3.364 10 10 DGCE OC[C@@H]1CC(F)(F)CN1Cc1cc(-c2ccccc2)ccc1O 783703015 OFVDKJVFBASHFQ-INIZCTEOSA-N 319.351 3.261 10 10 DGCE CN(C)c1ccc(CNC[C@]2(O)CCCC(C)(C)C2)cc1F 782534813 IIIGOEKTBLMDFY-SFHVURJKSA-N 308.441 3.313 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)[C@H]1CCCN(C(C)C)C1 1137346666 HNZQKKHIIFREDX-KRWDZBQOSA-N 318.461 3.251 10 10 DGCE Oc1ccc(Br)cc1CN1CCC[C@H](CF)C1 711477850 RNXLNNBGPJMGSK-SNVBAGLBSA-N 302.187 3.336 10 10 DGCE CCNCc1ccc(N(Cc2ccccc2)C[C@H](C)O)cc1C 1914651333 OZKFWTKFAJQAHX-KRWDZBQOSA-N 312.457 3.492 10 10 DGCE Cc1cc(CN)ccc1N(Cc1ccccc1)C1(CO)CCC1 1915757603 CTLLTAFWUJSPKJ-UHFFFAOYSA-N 310.441 3.375 10 10 DGCE COCCN(CCOC)/N=N/c1cccc(OC(F)(F)F)c1 1860487645 IDVLYFJFZXSOPG-ISLYRVAYSA-N 321.299 3.179 10 10 DGCE C[C@@H]1C[C@H]1n1c(-c2ccc[nH]2)nnc1N(C)Cc1ccccc1O 1291038517 PWUWKFFXARUOOX-IUODEOHRSA-N 323.400 3.196 10 10 DGCE Cn1ccc2c([C@@H]3CN(C(=O)OC(C)(C)C)CCN3)cccc21 1535977170 OQGZRWHEQIJFSA-HNNXBMFYSA-N 315.417 3.060 10 10 DGCE CN(C)[C@H]1CCC[C@H]1NCc1cc(Cl)cc(Cl)c1O 1921758005 VIOVSEGWDLSYJQ-OLZOCXBDSA-N 303.233 3.271 10 10 DGCE CCN(CC)c1ccc(CNC(=O)c2ccc(Cl)[nH]2)cc1 1544580092 DXLBAEGUHJNFMZ-UHFFFAOYSA-N 305.809 3.444 10 10 DGCE C/C(=C(/F)C(=O)N1CCOc2cc(N(C)C)ccc21)C1CC1 1628727306 RLTLDITYFFWHPK-WJDWOHSUSA-N 304.365 3.132 10 10 DGCE FC(F)Oc1ccc2c(c1)CCCN2C[C@@H]1C[C@]12CCOC2 1559605501 UJKBZWHBUXVBNO-GUYCJALGSA-N 309.356 3.467 10 10 DGCE C[C@@H](Oc1ccccc1F)C(=O)NCc1cc(Cl)ccc1O 1632224217 WYEFVMJQTNEXJZ-SNVBAGLBSA-N 323.751 3.268 10 10 DGCE CCc1ccc(CC(=O)NCc2c(O)ccc3ccccc23)nc1 1639387825 SAXMOSUMPSEHSU-UHFFFAOYSA-N 320.392 3.362 10 10 DGCE Oc1cccc(O)c1CNc1cc(Cl)nc(C2CCC2)n1 1640452461 CRIJINWEVISLSO-UHFFFAOYSA-N 305.765 3.421 10 10 DGCE C[C@@H](NC(=O)c1c(F)ccc(O)c1O)c1cccc(F)c1F 1648669818 UCUADGAVJBXWFG-SSDOTTSWSA-N 311.259 3.006 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)cc1 1648257412 ICVXENYPTIFMEF-RCCFBDPRSA-N 310.397 3.144 10 10 DGCE Cc1noc2ncnc(N(C)Cc3ccc(N4CCCC4)cc3)c12 1650084769 AQKBFZABPDSETR-UHFFFAOYSA-N 323.400 3.163 10 10 DGCE COCCN1C(=O)/C(=C\c2ccc([C@H]3C[C@@H]3C)o2)SC1=S 12782322 GWUFRYMJIBXDTF-YJQMCFEWSA-N 323.439 3.251 10 10 DGCE CCN(CC)c1ccc([C@@](C)(O)CNC(=O)OC(C)(C)C)cc1 1977935941 RYJDPAIECWVNRN-SFHVURJKSA-N 322.449 3.265 10 10 DGCE CN(CC(=O)c1ccc(O)c(O)c1)Cc1cc(Cl)cs1 2150406556 SBQUHTXOXSEPPQ-UHFFFAOYSA-N 311.790 3.127 10 10 DGCE CS(=O)(=O)c1ccc(NCc2cccc(Cl)c2O)cc1 164930978 LWHIWNWIPVLPBF-UHFFFAOYSA-N 311.790 3.061 10 10 DGCE C[C@@H]1C[C@H](N(C)c2ccc(CO)cc2Br)CS1 2015478195 DHDNIFAUHOKCBJ-KOLCDFICSA-N 316.264 3.272 10 10 DGCE CCN(CCCCO)c1ccc([C@@H](C)O)cc1Br 2041180484 GPNOIKOWLXTAJT-LLVKDONJSA-N 316.239 3.101 10 10 DGCE Nc1ccc(NC(=O)Nc2cncc(Br)c2)cc1 310602133 HSONQHUAWHHSTH-UHFFFAOYSA-N 307.151 3.070 10 10 DGCE CN(C)c1ccc([C@@H](O)c2sncc2Br)cc1 712250193 RWDDNKSAPWKESX-LLVKDONJSA-N 313.220 3.053 10 10 DGCE COc1cc(Cl)cc(CNC[C@@H]2C[C@]2(C)C(F)F)c1O 2177407748 PCZYFOZSZJZTBE-XPTSAGLGSA-N 305.752 3.435 10 10 DGCE COC(=O)c1cc(C2CC2)nn1[C@H](C)c1ccc(F)cc1O 2069961128 IVRZIVLWNGNDSJ-SECBINFHSA-N 304.321 3.001 10 10 DGCE COc1ccc([C@@H](C)n2nc(-c3ccccc3)cc2N)c(O)c1 2070176323 GQOVGTFYMKCBPP-GFCCVEGCSA-N 309.369 3.456 10 10 DGCE CC[C@@H](c1ccc(C)cc1O)n1nc(C2(C)CC2)c(C=O)c1N 2079021601 FTYQZKGJOZREOV-AWEZNQCLSA-N 313.401 3.343 10 10 DGCE CC[C@H](c1ccc(OC)cc1O)n1nc(C2CCC2)c(N)c1N 2080035567 SINOFYLNNNGJMZ-CYBMUJFWSA-N 316.405 3.029 10 10 DGCE C[C@@H](N)c1ccc(N2CCS[C@@H]3COCC[C@@H]32)cc1Cl 2170485890 HBAHKDDKIYQFNT-WKPIXPDZSA-N 312.866 3.070 10 10 DGCE NCC[C@H]1CCC[C@@H](Nc2c(N)cccc2Br)C1 2071631052 JBNDAGOIIKRMDD-GHMZBOCLSA-N 312.255 3.351 10 10 DGCE CC1=C(Br)CCN(c2ccc(CCN)c(C)c2)C1 2077135042 VLXKMTQXMWYNPP-UHFFFAOYSA-N 309.251 3.375 10 10 DGCE Cc1nc2c(s1)CN(c1ccc(CN)cc1Br)C2 2081623074 YFJKBQAADILCET-UHFFFAOYSA-N 324.247 3.193 10 10 DGCE CSc1ncc(CN[C@@H]2CCO[C@]3(CCSC3)C2)s1 2208656328 RYGJKIOWUWHOJH-ZWNOBZJWSA-N 316.517 3.009 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NC(=O)c1cnc(Cl)c(Cl)c1 2225794555 GWVGZYKUIIDECD-DTWKUNHWSA-N 300.149 3.350 10 10 DGCE CCNCc1ccc(N2CC(OC(F)(F)F)C2)c(Cl)c1 2237638663 JLBKKMVVCORQOA-UHFFFAOYSA-N 308.731 3.175 10 10 DGCE CN(CCCN=[N+]=[N-])C(=O)[C@@H]1CCCN(Cc2ccccc2)C1 2243998055 GFCJINNUEHZCFK-MRXNPFEDSA-N 315.421 3.057 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 2307990526 VPJXWCYSMQCEDD-DGADGQDISA-N 313.397 3.052 10 10 DGCE Cc1cccnc1C=CC(=O)NCc1c(O)ccc2c1CCCC2 2308850394 RPSYQUSMDVWIEX-UHFFFAOYSA-N 322.408 3.304 10 10 DGCE CCOc1cnn(Cc2ccc(C)c(Br)c2O)c1 2327797155 RSEHSWNQQQQZSZ-UHFFFAOYSA-N 311.179 3.107 10 10 DGCE CC(=O)c1ccc(N=NN2CCN(c3ccccn3)CC2)cc1 2330156112 XSDPRVAFSIXZLN-UHFFFAOYSA-N 309.373 3.105 10 10 DGCE Cc1ccc(CN[C@]2(C)CCCOC2)c(O)c1Br 2327623418 HHCKQPSSOCEISH-CQSZACIVSA-N 314.223 3.122 10 10 DGCE Cc1cc(Br)c(CN(C)Cc2ccccc2O)cn1 2337827699 YAMNHFSUUTVZHP-UHFFFAOYSA-N 321.218 3.490 10 10 DGCE Oc1c(Cl)cccc1CN1CC[C@H](CNc2ccccn2)C1 179987213 BMSKWFKKLNPEHG-CYBMUJFWSA-N 317.820 3.375 10 10 DGCE CCN(CC)c1ccc(CNC(=O)NCC(F)(F)F)cc1F 66906819 LEECOTIPUNXUKJ-UHFFFAOYSA-N 321.318 3.033 10 10 DGCE Cc1nn(C)c(C)c1C[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1 120553116 LENAHEOKSJCDNK-ZIAGYGMSSA-N 314.477 3.385 10 10 DGCE C[C@H](N[C@H](C)c1ccc(N(C)C)cc1)c1nnc2n1CCCC2 130886846 RVORDTJWYFMRPH-KGLIPLIRSA-N 313.449 3.092 10 10 DGCE CC[C@H]1CNC(C)(C)CN1c1cc(Cl)c(OC)cc1OC 86220367 KQUGFDGHUFZHME-NSHDSACASA-N 312.841 3.324 10 10 DGCE Cc1ccc([C@@H]2CCN(C(=O)c3ccc(C)c(O)c3O)C2)cc1 369917407 DEYFXMNEQCIRJB-OAHLLOKOSA-N 311.381 3.344 10 10 DGCE NC[C@@H]1C[C@H]2CCC[C@H]2N1Cc1cc(Cl)cc(Cl)c1O 2164803221 KZLMOJVSLPVFAC-LJWDBELGSA-N 315.244 3.401 10 10 DGCE C[C@H](N[C@H]1CCNC[C@H]1C)c1ccc(N2CCCCC2)c(F)c1 817970769 DQZWUQGHIMECKJ-VKJFTORMSA-N 319.468 3.465 10 10 DGCE CCN(Cc1c(O)ccc2ccc(OC)cc12)[C@@H]1CCOC1 812296243 NYYPSTAINYSDBX-CQSZACIVSA-N 301.386 3.165 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)Nc1c(C)cnn1C 824409667 IAONXBLMALHQEX-UHFFFAOYSA-N 316.405 3.268 10 10 DGCE CN(C)C1(CC2CC2)CCN(Cc2cccc(F)c2O)CC1 581811416 XBYXMJJDHRASKG-UHFFFAOYSA-N 306.425 3.228 10 10 DGCE Cc1ccc(O)c([C@H](C)NC[C@]2(c3ccccc3)C[C@H](O)C2)c1 903271908 QCPZVKQALNHNMU-KNBMTAEXSA-N 311.425 3.444 10 10 DGCE CN(C)c1ccc(/C=C\CNC[C@@]2(O)CCc3ccccc32)cc1 835040122 ACCMQVLBQGCFKW-RMUOZIPVSA-N 322.452 3.189 10 10 DGCE Cc1cc(O)c(CNC[C@](C)(O)c2ccsc2)c(Cl)c1 840898771 GDESGTOZKFLBHW-HNNXBMFYSA-N 311.834 3.413 10 10 DGCE CN(C)c1ccc(/C=C/CNC[C@@H]2NCCc3ccccc32)cc1 841067726 PHEVXLQWQUPJGF-LYSGITKLSA-N 321.468 3.242 10 10 DGCE Nc1ccc(N[C@H]2CCN(C(=O)OCc3ccccc3)C2)cc1 1954644418 RJKVRLKKPNJCKW-KRWDZBQOSA-N 311.385 3.092 10 10 DGCE COc1cccc([C@@H](C)NCC[C@H](OC)C(F)(F)F)c1O 846162403 ARMQSIMHSZUJMF-SKDRFNHKSA-N 307.312 3.019 10 10 DGCE CCN(CC)c1ccc(CN[C@H]2C[C@H]3CC[C@@H](N3)[C@@H]2C)cc1 925480616 MVALCFPPKBTSSH-WLWJZTKJSA-N 301.478 3.151 10 10 DGCE CCOC(=O)C1=CC[C@@H](N[C@H](C)c2ccc(C)c(C)c2O)C1 858505896 CDLUQKAJSZPTGV-UKRRQHHQSA-N 303.402 3.312 10 10 DGCE COc1ccc2c(c1)CCN2Cc1cn(-c2ccncc2)nc1C 753527721 SHFCGBJKUGNXEP-UHFFFAOYSA-N 320.396 3.147 10 10 DGCE CN(C)c1ccc(CN[C@H]2CCNC[C@@H]2C2CCCC2)cc1 925512033 YQVYUAMUFUTSMA-MOPGFXCFSA-N 301.478 3.011 10 10 DGCE C[C@H]1C[C@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)CCS1 927260808 NPEMXRJFBLLABR-DZGCQCFKSA-N 321.490 3.178 10 10 DGCE C[C@@H](NCC[C@H]1COc2ccccc2O1)c1ccc(F)cc1O 756763265 WIPUAERFZWJMEE-OCCSQVGLSA-N 317.360 3.412 10 10 DGCE COc1cc(CN[C@H]2CCOC2(C)C)c(O)c(C(C)(C)C)c1 850314421 TTZUBAQKJKEZKW-HNNXBMFYSA-N 307.434 3.355 10 10 DGCE C[C@H](NCC[C@H](O)C(F)F)c1ccc(Cl)c(Cl)c1O 866442106 DRIXSWIYLRIYPJ-RCOVLWMOSA-N 314.159 3.366 10 10 DGCE COc1cc(Cl)cc(CNC2(c3ncccn3)CCC2)c1O 895622033 FPFWSDFKYUUCGD-UHFFFAOYSA-N 319.792 3.013 10 10 DGCE Oc1c(F)cc(Br)cc1CNCc1cnsc1 715760637 PCXHCERQFIHUKE-UHFFFAOYSA-N 317.183 3.040 10 10 DGCE CCN1C(=O)/C(=C\c2nc3c(s2)C[C@@H](C)CC3)SC1=S 1320399802 WKQGUNKLYOXXJO-LBTPYSACSA-N 324.496 3.489 10 10 DGCE CC[C@H](NCCOCCCO)c1ccc(Cl)c(Cl)c1O 1257445485 YMFSQMQLMFOMGO-LBPRGKRZSA-N 322.232 3.139 10 10 DGCE CN(C)c1ccc(CNC(=O)c2coc(C(F)F)c2)cc1F 1331334966 RXZMXALSISHFMQ-UHFFFAOYSA-N 312.291 3.352 10 10 DGCE CCc1nc(NC(=O)N2Cc3cccc(O)c3C2)sc1C 1335911569 JBHBKACZSTYOHO-UHFFFAOYSA-N 303.387 3.267 10 10 DGCE Cc1nc(CNCc2cccc(Br)c2O)oc1C 220897835 IZQMFRFDAHTTSX-UHFFFAOYSA-N 311.179 3.049 10 10 DGCE Cc1cc(CC(=O)Nc2cnccn2)c(C)n1-c1ccccc1 1351306159 LFPYTAVRIKASFS-UHFFFAOYSA-N 306.369 3.065 10 10 DGCE C[C@H](N)c1ccc(N2CC3(C2)CC3(F)F)c(Br)c1 1914968369 MNIXHDJIKFBEEL-QMMMGPOBSA-N 317.177 3.314 10 10 DGCE CC[C@H]1CCC[C@@H]1C(=O)N(C)CCN(C)c1ccc(OC)cc1 1531375044 PSBNBUSIHPNKLI-YJBOKZPZSA-N 318.461 3.416 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2CCc1ccc(F)c(F)c1 1473344027 GCQCAOVYGURWSC-UHFFFAOYSA-N 318.367 3.472 10 10 DGCE Oc1c(Br)cccc1CNCC=CBr 1925884957 PULADXGIKCFGKL-UHFFFAOYSA-N 321.012 3.153 10 10 DGCE COc1cccc(CNC(=O)c2cscc2C(F)F)c1O 1566374887 XLVBXSHOPQVZIS-UHFFFAOYSA-N 313.325 3.330 10 10 DGCE CN(C)c1ccc(C(=O)NCc2cc(Cl)ccc2O)cc1F 1632223277 GXLQKTSLFHDMHH-UHFFFAOYSA-N 322.767 3.181 10 10 DGCE CN(C(=O)/C=C\c1cncc(O)c1)c1cccc2cccnc12 1639292010 JTYDXZKZBSNQMM-FPLPWBNLSA-N 305.337 3.012 10 10 DGCE C[C@H](NC(=O)C(=O)c1ccc(Cl)s1)c1ccccc1O 1648892359 XGCIRVQLKJITKW-QMMMGPOBSA-N 309.774 3.167 10 10 DGCE O=C(CSc1ccc(F)c(F)c1)N1Cc2cccc(O)c2C1 1650672131 GQQAMXGIDUQUCI-UHFFFAOYSA-N 321.348 3.305 10 10 DGCE c1ccc2c(c1)C[C@H](CNCc1ccc3c(c1)CCCO3)CO2 1656673029 RNXAGTIGWFJVKG-MRXNPFEDSA-N 309.409 3.353 10 10 DGCE CC(C)[C@@H]1CC[C@@H](C)C[C@H]1CNC(=O)Cc1ccc(O)c(O)c1 1583966288 JMOVFQFVOWTXSX-KBMXLJTQSA-N 319.445 3.465 10 10 DGCE CC[C@@H](N)Cc1cnc(Sc2ncc3sccn23)s1 2139850141 ITCFSTBWXRWSIA-MRVPVSSYSA-N 310.473 3.283 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]([C@H](N)c2ccccc2O)C2(CC2)C1 1936969954 HJHUXAHKECVORR-DZGCQCFKSA-N 318.417 3.039 10 10 DGCE C[C@H](O)c1ccc(N2CC=C(Br)CC2)c(F)c1 1943959631 UEEKEOCLVJTORV-VIFPVBQESA-N 300.171 3.368 10 10 DGCE CN(Cc1ccccc1)[C@H]1CCCN(CCc2ccc(N)cc2)C1 2003362536 IHAZFUMNKHTDQZ-NRFANRHFSA-N 323.484 3.408 10 10 DGCE CN1CCc2cc([C@]3(N)CC[C@H]3OCc3ccccc3)ccc21 1977938070 GBUYAKDWWRUNLL-WOJBJXKFSA-N 308.425 3.212 10 10 DGCE Cc1onc(CN2CCC[C@@H]2CN=[N+]=[N-])c1Br 2009446761 ZIFBLOJNCCNYQK-MRVPVSSYSA-N 300.160 3.020 10 10 DGCE CC[C@H]1CCOC[C@@H]1NCc1cc(Br)ccc1O 2035128789 GPWPTGPHNUXDQY-GWCFXTLKSA-N 314.223 3.059 10 10 DGCE CO[C@H]1CC(F)(F)CC[C@H]1NCc1ccc(Cl)cc1O 2162096644 ZLKSSYWDSXXQIZ-YPMHNXCESA-N 305.752 3.338 10 10 DGCE OCc1ccc(N2CCO[C@H](c3ccsc3)C2)cc1Cl 2171856971 GCDQMARMXJCIIL-HNNXBMFYSA-N 309.818 3.472 10 10 DGCE CC(C)[C@H]1CN(C)CCN1Cc1cc(Cl)cc(Cl)c1O 2170603727 IJHFABCNPPCUKF-CQSZACIVSA-N 317.260 3.471 10 10 DGCE Cc1ccc(Br)c(CN(C)c2ccc(N)cc2)n1 2049914059 OOPCONWYZNZYFP-UHFFFAOYSA-N 306.207 3.371 10 10 DGCE C[C@@H](N)c1ccc(N(C)[C@@]2(C)CCOC2)c(Br)c1 2055450549 ZWPCVPMXKHZHOM-YGRLFVJLSA-N 313.239 3.084 10 10 DGCE CO[C@@]1(CN(C)c2ccc([C@@H](C)N)cc2Cl)CCSC1 2186279643 YHXWYGQGSAIZCD-IAQYHMDHSA-N 314.882 3.318 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)c1ccc(Br)s1 2213584507 DZIVIFIJDUOULN-RNFRBKRXSA-N 315.196 3.472 10 10 DGCE Cc1sc(C(=O)Cc2ccc(N)cc2)nc1C(F)(F)F 2295621945 JKBASLRYUWOYKV-UHFFFAOYSA-N 300.305 3.478 10 10 DGCE O=C1C(=Cc2ccsc2)SC(=S)N1Cc1ccon1 2300341946 QOLWEBKAHKIQKK-UHFFFAOYSA-N 308.409 3.138 10 10 DGCE CCCN(CCC)NCc1cc(Br)ccc1O 2302400985 DDFVCFGAKIGVEQ-UHFFFAOYSA-N 301.228 3.281 10 10 DGCE CC1=NN(c2nc(C)cc(C)n2)C(=O)C1=CNc1ccc(C)cc1 2313683473 LNHVZTBJGVLTOB-UHFFFAOYSA-N 321.384 3.120 10 10 DGCE Cc1ccc(CN(C)[C@H]2CCC(=O)C2)c(O)c1Br 2327789014 IRQFOXXSQSJDPW-NSHDSACASA-N 312.207 3.017 10 10 DGCE C[C@@H](N)c1ccc(N(C)C[C@@H]2CCCO2)c(Br)c1 61696722 HIYZGCOLWWBGLB-PWSUYJOCSA-N 313.239 3.084 10 10 DGCE CS[C@H]1CC[C@H]1NCc1cc(OC(F)(F)F)ccc1O 2361044192 VIRWSPHZGGLYQB-PWSUYJOCSA-N 307.337 3.274 10 10 DGCE c1cc(CNCCCSc2nccs2)c2c(c1)OCO2 124246488 ZMMVHMHURYXELP-UHFFFAOYSA-N 308.428 3.144 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(Cl)cc1N 314962954 VDCPUPDUKNUQHQ-UHFFFAOYSA-N 317.820 3.260 10 10 DGCE CC(C)CN(CC(F)(F)F)C(=O)CCc1ccc(N)cc1 40327047 KPAGQYIUYSDBDQ-UHFFFAOYSA-N 302.340 3.248 10 10 DGCE CNCc1ccc(N2C[C@@H]3CCCCN3C[C@@H]2C)c(Cl)c1 220643681 HSAIJTRUEMSZDC-ZFWWWQNUSA-N 307.869 3.122 10 10 DGCE C[C@H](Cc1cccs1)N(C)C(=O)CCc1ccc(N)cc1 93266108 GPGPRQKZOFJSLA-CYBMUJFWSA-N 302.443 3.353 10 10 DGCE Oc1ccc(F)cc1CN1C[C@@H](O)C[C@H]1c1cc(F)ccc1F 245945496 KLASXULQUTVEGO-BBRMVZONSA-N 323.314 3.117 10 10 DGCE CN[C@H](c1ccccc1O)[C@@H]1CC[C@H](C)N1C(=O)OC(C)(C)C 1895391776 MKUHBUJSXXVRSR-DUVNUKRYSA-N 320.433 3.441 10 10 DGCE Cc1noc(Cn2c3c(c4ccccc42)CN(C(C)C)CC3)n1 345539147 LAAJICXAPCTFTR-UHFFFAOYSA-N 310.401 3.148 10 10 DGCE CCOc1cccc(CN[C@]2(C)CCCC[C@@H]2C(=O)OC)c1O 272370596 BNWFXNZRIGWSIQ-RDTXWAMCSA-N 321.417 3.002 10 10 DGCE CC[C@H](NC[C@H](CO)c1ccccc1)c1ccc(F)cc1O 286299429 WPLBYIHJPAHRTI-PBHICJAKSA-N 303.377 3.348 10 10 DGCE C[C@@H]1SCCS[C@@H]1[C@H](O)c1ccc2c(c1)CCCN2C 2163107335 OBMZVEHFQCVSGO-XZJROXQQSA-N 309.500 3.340 10 10 DGCE Cc1cc(-c2nnc(N(C)C3CC3)n2C)c(C)n1-c1ccccc1 809867742 SEIFTENDICMPHH-UHFFFAOYSA-N 321.428 3.488 10 10 DGCE COc1ccc(-c2ccn(Cc3ccc(N)cc3)c(=O)c2)cc1 821180665 LOGHXPRMMWUNIX-UHFFFAOYSA-N 306.365 3.154 10 10 DGCE Oc1cccc2c1[C@H](NCCOc1ccc(F)cc1F)CC2 834617406 YDDZCKFANXALHR-CQSZACIVSA-N 305.324 3.326 10 10 DGCE CN(C)c1ccc(/C=C/CNC2CCC3(CC2)OCCO3)cc1 835035029 GDJUDMSQIYPLAD-ONEGZZNKSA-N 316.445 3.041 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc(Cl)c(F)c1 847304291 MERAESLRZSDPKT-UHFFFAOYSA-N 321.783 3.212 10 10 DGCE COC(=O)/C=C\c1ccc(N(C)CCC2CC2)c([N+](=O)[O-])c1 746715590 CSWCTBSFTUXQLF-VURMDHGXSA-N 304.346 3.017 10 10 DGCE COc1cccc(CNC(=S)Nc2c(C)cccc2C)n1 748044895 OWFBHRMYMRFYAU-UHFFFAOYSA-N 301.415 3.194 10 10 DGCE Cc1ccc([C@@H](C)N[C@@H]2C(=O)N(C)Cc3ccccc32)c(O)c1C 857875138 HFURNZDIKRYGBT-KDOFPFPSSA-N 324.424 3.373 10 10 DGCE CC[C@@H](NCC[C@H](COC)OC)c1cccc(Cl)c1O 850487251 YNBNVKRTBHMLTJ-BXUZGUMPSA-N 301.814 3.138 10 10 DGCE COCCN(CCF)c1ccc(CNC2CC2)cc1Cl 697277149 GCJWVSCERYIGOB-UHFFFAOYSA-N 300.805 3.014 10 10 DGCE CC[C@@H]1NCC[C@H]1N[C@@H](C)c1ccc(N2CCCCC2)cc1 863543649 UGWMNGGRNZCEER-ZYSHUDEJSA-N 301.478 3.468 10 10 DGCE CCOc1ccc(O)c(CN(C)[C@@H]2CCN(CC)[C@H](C)C2)c1 769469587 AOIRVRAZZOMTDU-GDBMZVCRSA-N 306.450 3.096 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)Nc2csc(C)n2)c1 767131170 LCJQUZLCECXPNP-MRVPVSSYSA-N 307.375 3.048 10 10 DGCE CC[C@H](NC(=O)N[C@@H](C)c1ccccc1O)[C@@H]1CCCCO1 868754257 HLIQCOPCJIGJTJ-NOLJZWGESA-N 306.406 3.100 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(F)cc(Cl)c1 773747695 FBCQZIWHNQEHHY-VIFPVBQESA-N 323.751 3.251 10 10 DGCE C[C@@H](NCCCNC(=O)OC(C)(C)C)c1ccc(F)cc1O 185340533 BYCUHZISWLRGPX-LLVKDONJSA-N 312.385 3.097 10 10 DGCE COc1cc(CN2CC[C@H](Cc3ccncc3)C2)c(O)cc1C 782292127 VTRPCUTUCHOINM-MRXNPFEDSA-N 312.413 3.169 10 10 DGCE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1Nc1ccccc1N 1959369627 AFBPDNDJYHDMGQ-DOMZBBRYSA-N 305.422 3.326 10 10 DGCE CC[C@@H]1C[C@@H](CN(C)c2cc(OC)c(OC)c(OC)c2)CCO1 780775244 SUQXLKJCOMEBBZ-DZGCQCFKSA-N 323.433 3.354 10 10 DGCE C[C@H](CNCc1cc(F)ccc1O)N(C)Cc1ccccc1 390571320 TWLSDGGEALCWBM-CQSZACIVSA-N 302.393 3.141 10 10 DGCE COc1ccc(CNC(=O)C/C=C\c2ccc(C)cc2)c(O)c1 794387568 LGTAVPIDQOKLCY-ARJAWSKDSA-N 311.381 3.429 10 10 DGCE Oc1ccc2c(n1)CCC[C@@H]2NCc1c(O)ccc(Cl)c1F 790962817 TUHHDDMPBHHUBO-LBPRGKRZSA-N 322.767 3.453 10 10 DGCE CN(C)c1ccc(CNC(=O)[C@H]2CC[C@H](C(F)(F)F)C2)cc1 794618507 IXTNSIJSWJEKMN-STQMWFEESA-N 314.351 3.347 10 10 DGCE CCC[C@@H](CNC(=O)OC(C)(C)C)NCc1ccccc1O 227762888 JYUQCYJSVLOYOW-AWEZNQCLSA-N 308.422 3.175 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)NCCCCCc1ccccc1 1627879896 ZPMPMFYABKRFRY-UHFFFAOYSA-N 313.397 3.170 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCc1ccco1 1624133008 RMRGFKLBWUVHQT-UHFFFAOYSA-N 322.364 3.430 10 10 DGCE CCN(CCNCc1ccc(OC)c(C)c1)C(=O)CC1CCC1 1568733110 UXHJXIZIOUXVEJ-UHFFFAOYSA-N 318.461 3.132 10 10 DGCE Cc1cc(CNC(=O)CCCCCO)c(C)n1-c1ccccc1 1648611697 MKRNITGORMVZCK-UHFFFAOYSA-N 314.429 3.263 10 10 DGCE CCn1cc(C(=O)NCc2ccccc2O)c(-c2ccccc2)n1 1595799589 AFHLZLRAEKNTCK-UHFFFAOYSA-N 321.380 3.206 10 10 DGCE CNCc1ccc(N(C)C[C@H]2CCCO2)cc1C(F)(F)F 167368512 ZPMFRQGSNWAMBA-CYBMUJFWSA-N 302.340 3.040 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CC[C@H]([C@H]2CCCN2)C1 1967977656 ABHWVEKFKJDOPJ-IINYFYTJSA-N 315.244 3.273 10 10 DGCE CN1CCCc2cc([C@](C)(O)COCc3ccccc3)ccc21 1977933950 HVLGEDUMFPNPQC-HXUWFJFHSA-N 311.425 3.493 10 10 DGCE Nc1cccc(Br)c1N[C@@H]1CCOCC12CCC2 2033357699 TXXAFLASVSVHEH-GFCCVEGCSA-N 311.223 3.402 10 10 DGCE Cc1ccc([C@H](C)N[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)c(O)c1 300211283 OWCCWSHCMGNITL-IACUBPJLSA-N 306.406 3.017 10 10 DGCE CN(Cc1ccccc1)C1CCN(CCc2ccc(N)cc2)CC1 717595320 SZRHKHKHOLPDNA-UHFFFAOYSA-N 323.484 3.408 10 10 DGCE Nc1c(C2CC2)nn(Cc2cc(F)ccc2O)c1C(F)(F)F 2079126095 YHAQVWXHTREGTM-UHFFFAOYSA-N 315.270 3.255 10 10 DGCE Cc1cc(O)c([C@@H](C)n2nc(C3CCC3)c(CN)c2N)cc1C 2079992603 GOMQAXDRYDVSDU-GFCCVEGCSA-N 314.433 3.123 10 10 DGCE CC[C@@]12C[C@@H]1CN(c1ccc(CNC)c(Br)c1)C2 2048615182 XGKCDMHLNXUYOR-DOMZBBRYSA-N 309.251 3.405 10 10 DGCE CO[C@@]1(CN(C)c2ccc([C@H](C)N)c(Cl)c2)CCSC1 2186278636 TVKPCGHGWNQTLD-XHDPSFHLSA-N 314.882 3.318 10 10 DGCE CCC[C@H]1COCCN1Cc1cccc(Br)c1O 2050897345 IVONNYDXRLHFSP-LBPRGKRZSA-N 314.223 3.156 10 10 DGCE Cc1nc(OCCc2ccc(N)cc2)ccc1Br 2056264066 LJIDABXUCISFAJ-UHFFFAOYSA-N 307.191 3.356 10 10 DGCE CCOP(=O)(CCN(C)Cc1ccccc1O)OCC 2192570541 SHFONGOCHKPCTM-UHFFFAOYSA-N 301.323 3.090 10 10 DGCE Cc1cccnc1CN(C)c1ccc(CO)c(Br)c1 2105385075 SBNWZUGFTPEFCX-UHFFFAOYSA-N 321.218 3.281 10 10 DGCE COc1cc(Cl)cc(CNC[C@@H]2SCC[C@@H]2C)c1O 2094447181 BJPJTMKUKDMBLC-ZANVPECISA-N 301.839 3.285 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)NC[C@@H]1C[C@H]1c1ccccc1 2307987121 FCDWNAWUFZOIRS-HOTGVXAUSA-N 309.365 3.031 10 10 DGCE Cc1ccc(CNC(=O)[C@@H]2CC23CCC3)c(O)c1Br 2352639623 AMWQYWOIONHNMD-NSHDSACASA-N 324.218 3.270 10 10 DGCE O=C1/C(=C\c2ccc[nH]2)SC(=S)N1c1ccc(O)cc1 27231310 SYBIRKZUSHTODN-XYOKQWHBSA-N 302.380 3.126 10 10 DGCE Cc1nn(C)cc1NC(=O)c1ccc(-n2c(C)ccc2C)cc1 172772894 ALLBNHSEDWPBOC-UHFFFAOYSA-N 308.385 3.388 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)NCCC2CCCC2)c1 171733474 YSUYEAQHJQBASI-GFCCVEGCSA-N 306.406 3.341 10 10 DGCE COC(=O)/C=C/c1ccc(N2CC[C@H](C)[C@H](C)C2)c([N+](=O)[O-])c1 301926878 MZUXGIHIGHAHSX-JHSWMASBSA-N 318.373 3.263 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[C@H](N)c1ccccc1O 1894552626 VRKOQFTUFFYKMC-XPKDYRNWSA-N 320.433 3.476 10 10 DGCE COc1ccc2scc(O)c2c1I 306727699 JJYWOIOKCDUVER-UHFFFAOYSA-N 306.124 3.220 10 10 DGCE CCCOc1ccc(CN(C)C[C@H]2CCCC[C@@H]2O)c(O)c1 181094425 SIRLOAJTVBIJOS-PBHICJAKSA-N 307.434 3.164 10 10 DGCE Cc1ccc(C(=O)NCc2ccc(C(F)F)cc2)c(O)c1O 185407731 MDGKEPKGTZXNQG-UHFFFAOYSA-N 307.296 3.274 10 10 DGCE CCS(=O)(=O)c1ccc(NCc2cc(C)ccc2O)cc1 71407473 JGBPOVFHWAEGIA-UHFFFAOYSA-N 305.399 3.106 10 10 DGCE CC1(C)C[C@H]2C(=O)N(c3c(Cl)cc(N)cc3Cl)C(=O)[C@H]21 2365779261 SRVQSSJTJIUWGI-XCBNKYQSSA-N 313.184 3.111 10 10 DGCE Oc1c(Br)cccc1CNOCc1ccccc1 133529719 ALNONUMNPXBJRR-UHFFFAOYSA-N 308.175 3.376 10 10 DGCE CC[C@H](CN[C@@H](C)c1cc(O)ccc1O)NC(=O)OC(C)(C)C 227716664 IYAFFIIJKBBSQQ-NWDGAFQWSA-N 324.421 3.052 10 10 DGCE CSc1ncc(CN[C@]2(C(=O)O)CCC[C@H](C)[C@@H]2C)s1 2371711650 DHTYIEJBIWHRDJ-PKFCDNJMSA-N 314.476 3.234 10 10 DGCE C[C@]1(C(=O)NCCc2ccc(N)cc2)CCCc2ccccc21 237556257 MCYFZSHKKLGTIP-FQEVSTJZSA-N 308.425 3.222 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@H]1c1ccsc1 528996357 MVVIVBBKOSYRGG-DDTOSNHZSA-N 317.410 3.010 10 10 DGCE COc1cc(Br)cc(CNCC[C@H](C)F)c1O 815148988 SZEUYHDCHHJCIH-QMMMGPOBSA-N 306.175 3.001 10 10 DGCE CCC[C@]1(NC(=O)c2cc3cc(O)c(O)cc3s2)CCOC1 908156316 MXUYCXJIHJXVFY-INIZCTEOSA-N 321.398 3.002 10 10 DGCE CN(C)c1ccc(/C=C\CN2CC[C@H](O)C23CCCC3)cc1 835055973 QNXDWQLBGKPWSF-XFHJGTJQSA-N 300.446 3.145 10 10 DGCE Cc1cc(Cl)cc(CN2CCO[C@@]3(CCSC3)C2)c1O 843418767 YINNRCKXHJNDPE-HNNXBMFYSA-N 313.850 3.062 10 10 DGCE Cc1cc(O)c(CN2CCO[C@H](C(F)(F)F)C2)c(Cl)c1 840918675 YAMQQQHDMJZUNE-LBPRGKRZSA-N 309.715 3.117 10 10 DGCE Oc1cccc(Cl)c1CNCCOc1ccc(F)cc1F 749119608 TUQHYGZTKVZPMV-UHFFFAOYSA-N 313.731 3.492 10 10 DGCE C/C(=C/c1cccnc1)C(=O)N(C[C@@H]1CCCO1)c1ccncc1 846879771 QELYTPNBRWMSQJ-NZHZHZHDSA-N 323.396 3.092 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)C3CCCCCC3)C2)cc1 855229362 JHVDJTVVCFTIIV-MRXNPFEDSA-N 316.445 3.361 10 10 DGCE C[C@H](NC[C@H](n1cccn1)C(F)(F)F)c1cc(F)ccc1O 858448561 CKKAYOBUKAKWDY-ZANVPECISA-N 317.286 3.182 10 10 DGCE COc1ccc([C@H]2CCN(C(=O)c3cc(O)cs3)C2)cc1F 863695158 YTXNJJVUPWAAFJ-NSHDSACASA-N 321.373 3.231 10 10 DGCE CCN(CC)c1ccc(CNCc2ncnn2C(C)C)cc1F 865457104 WCXTUKIWSHSEKY-UHFFFAOYSA-N 319.428 3.134 10 10 DGCE CCCNC[C@@H]1CCN(c2ccc(OCC)c(OCC)c2)C1 76382871 SQFAZKSIGMCNIF-HNNXBMFYSA-N 306.450 3.310 10 10 DGCE C[C@H](O)c1ccc(N2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 705942979 WJPHCLAWCMNOAI-VDGAXYAQSA-N 322.452 3.308 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)[C@H]1COc2ccccc21 1304089676 GHHHDNTXVWPTLU-KRWDZBQOSA-N 319.360 3.338 10 10 DGCE COC(=O)CC(C)(C)N(C)C/C=C/c1ccc(N(C)C)cc1 1324611534 ZXBCXAWWUYRNEH-BQYQJAHWSA-N 304.434 3.039 10 10 DGCE Cc1cc(O)c(CN2CCO[C@@](C)(C(F)F)C2)c(Cl)c1 1334057732 LIDGSPNKDMXVFJ-CQSZACIVSA-N 305.752 3.210 10 10 DGCE CO[C@@]1(C(F)(F)F)CCN(Cc2ccc(N(C)C)c(C)c2)C1 1197326684 UURFXGKPLINMQD-HNNXBMFYSA-N 316.367 3.214 10 10 DGCE CCN(c1ccc(CN)cc1)[C@H]1CCN(Cc2ccccc2)C1 1915056158 FIMBGHUTWASKGQ-FQEVSTJZSA-N 309.457 3.246 10 10 DGCE CN(Cc1nccn1Cc1ccccc1)c1ccc(CO)cc1 1915029015 QKRKBAUERJKHDV-UHFFFAOYSA-N 307.397 3.060 10 10 DGCE Cn1cnc(/C=C\C(=O)N(Cc2ccsc2)c2cccnc2)c1 1527388952 HRMVTBRZBRPUKQ-PLNGDYQASA-N 324.409 3.123 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N1CCCCCc2ccccc21 1618282559 KAFAMCKYIIINAY-UHFFFAOYSA-N 311.381 3.400 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H]1c1ccsc1 1540973568 OCGNDTMYVDSSOT-ZDUSSCGKSA-N 303.383 3.066 10 10 DGCE CC(=O)c1cc(F)cc(CN2CCO[C@H](C(C)(C)C)CC2)c1O 1560235383 JBQMJPSGLPJIAY-INIZCTEOSA-N 323.408 3.371 10 10 DGCE Cc1csc(CNC(=O)c2ccc(N=NC(N)=O)cc2)c1 1635967162 GFEQPGAQLVFQKW-UHFFFAOYSA-N 302.359 3.149 10 10 DGCE CCN(C(=O)OC(C)(C)C)[C@@H](C)C[C@@H](N)c1ccccc1O 1928470607 PYXLEEASIQNNCB-GXTWGEPZSA-N 308.422 3.428 10 10 DGCE Cc1ccc(C(=O)N[C@H]2c3ccccc3CC[C@@H]2F)c(O)c1O 1643473424 QDCNIDPBMDLXLH-GJZGRUSLSA-N 315.344 3.162 10 10 DGCE O=C(CCSc1ccc(F)cc1)NCc1cc(O)ccc1O 1644752829 WECWHWNTKODJHX-UHFFFAOYSA-N 321.373 3.036 10 10 DGCE Cc1ccc2c(c1)C=C(C(=O)N[C@H](C)c1ccccc1O)CO2 1642827234 CWZGEFLWZROZAD-CYBMUJFWSA-N 309.365 3.354 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1ccc2n[nH]cc2c1 1597736261 AHQUKDSSNDTUAD-UHFFFAOYSA-N 317.348 3.352 10 10 DGCE C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)CN1CCCN=[N+]=[N-] 1962288202 SYEJUEYYDMVQBV-OLZOCXBDSA-N 311.430 3.312 10 10 DGCE CC(C)(C)c1ccc(NN=NCCCN2CCOCC2)cc1 1860491867 WKSRUAUZXOSNKW-UHFFFAOYSA-N 304.438 3.486 10 10 DGCE CCCN[C@@](CO)(CSc1nccs1)CC1(C)CC1 2142903624 RKSXKRRSJVNYCQ-AWEZNQCLSA-N 300.493 3.156 10 10 DGCE COc1ccc(Br)c(CNCCCSC)c1O 1964020252 KXJZVJWYXCJWLK-UHFFFAOYSA-N 320.252 3.006 10 10 DGCE CN[C@H](c1cnc(NC(=O)OC(C)(C)C)o1)c1ccccc1O 1981489649 APZIRPISCKZXHJ-ZDUSSCGKSA-N 319.361 3.036 10 10 DGCE C[C@H](N)c1ccc(N2CC[C@H]2C(F)F)c(Br)c1 2004456106 LKQKFFHTGMTMAP-CPCISQLKSA-N 305.166 3.313 10 10 DGCE Cc1cc(NCCOc2ccc(N)cc2)ncc1Br 166146890 IWZICRWXGWXACZ-UHFFFAOYSA-N 322.206 3.226 10 10 DGCE CCCNCc1cc(F)c(N2CC(SCC)C2)c(F)c1 2153908380 YGABZOJYYBYZII-UHFFFAOYSA-N 300.418 3.406 10 10 DGCE N[C@H]1CCc2cc(N3CCCN(Cc4ccccc4)CC3)ccc21 2012707189 PNDXHAVNGPGEHT-NRFANRHFSA-N 321.468 3.345 10 10 DGCE C[C@@H](N)c1ccc(N2CC(C(F)(F)F)C2)c(Br)c1 2034847368 RVKXFRWFNHXXAY-SSDOTTSWSA-N 323.156 3.467 10 10 DGCE NCc1ccc(N2CC[C@@H]2CC2CC2)c(F)c1Br 2036521709 WSTWKAZWBGRFDL-LLVKDONJSA-N 313.214 3.426 10 10 DGCE CN[C@@H](C)c1cnc(Sc2ccc3c(c2)OCCO3)s1 2159808637 CUFAVYCDUSFFMQ-VIFPVBQESA-N 308.428 3.346 10 10 DGCE C[C@H]1CC[C@H](N(C)Cc2cccc(Br)c2O)CO1 401534382 RCTIXDLHDFSAPA-JQWIXIFHSA-N 314.223 3.154 10 10 DGCE COc1cc(Cl)cc(CN[C@@]2(C)C[C@H]2C(F)(F)F)c1O 2158621473 PXKURIHFWLWHNT-PWSUYJOCSA-N 309.715 3.485 10 10 DGCE CCN1CC[C@H](N(C)Cc2cc(Cl)cc(Cl)c2O)C1 688559753 INJKSBGHLVGYKL-LBPRGKRZSA-N 303.233 3.225 10 10 DGCE CO[C@@H]1CC[C@@H]1N(C)c1ccc([C@@H](C)N)cc1Br 724221006 GFMXUIWQHVDEEC-BIGNPOOSSA-N 313.239 3.082 10 10 DGCE Cn1ncc2cc(CNCc3c(O)cccc3Cl)sc21 2175258827 COFOSRZDBMPEBH-UHFFFAOYSA-N 307.806 3.284 10 10 DGCE CCCNCc1ccc(N2CC(CF)(OC)C2)cc1Cl 2168869838 LJNKUFFKDKODAG-UHFFFAOYSA-N 300.805 3.014 10 10 DGCE Cc1cc(Br)ncc1CN1CCC[C@H](N=[N+]=[N-])C1 2057192356 GODGRVPCULNZKM-NSHDSACASA-N 310.199 3.427 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN=c1[nH]ccnc1Cl 2057936521 CKVHFFXZVAAPGY-UHFFFAOYSA-N 304.564 3.176 10 10 DGCE CCN(C[C@]1(Br)CC1(F)F)c1ccc(CN)cc1 2082491754 FDTUPRLVFIUMRQ-GFCCVEGCSA-N 319.193 3.144 10 10 DGCE CCN(Cc1cncc(Br)c1)c1ccc(CN)cc1 2087503144 LJYGMUHSXKYKKP-UHFFFAOYSA-N 320.234 3.329 10 10 DGCE NCc1ccc(N2CC[C@H](c3ccco3)C2)c(Br)c1 2114247847 IIHFLJCGZHLZLR-LBPRGKRZSA-N 321.218 3.495 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NC(=O)c1snc(Cl)c1Cl 2218746648 XUENQRLATYTCPE-CRCLSJGQSA-N 306.178 3.411 10 10 DGCE CSc1ncc(CNC[C@@H]2CN[C@H]3CCCC[C@H]3C2)s1 2284728898 PCCXUARQAUIFRJ-DYEKYZERSA-N 311.520 3.123 10 10 DGCE CCCC(C)=CC(=O)N1CCN(c2ccc(OC)cc2)CC1 2325215784 JDXQCLLMNZYKLR-UHFFFAOYSA-N 302.418 3.090 10 10 DGCE C[C@H](N)c1ccc(N2C[C@@H]3C[C@H]2[C@@H]2C[C@H]32)c(Br)c1 2308724171 CTWIJFZGOBJDKG-CDIFYPATSA-N 307.235 3.313 10 10 DGCE C[C@@H](CN(C)C)N(C)[C@H](C)c1cc(Br)ccc1O 2326779110 NOHZGFGQTVHVHC-WDEREUQCSA-N 315.255 3.098 10 10 DGCE Cc1ccc(Cl)cc1N=NN1CCN(c2ncccn2)CC1 2330173051 KFNFBFWFIDVARK-UHFFFAOYSA-N 316.796 3.259 10 10 DGCE CCCOc1c(C=C2C(=O)N(CCC)N=C2C)cccc1OC 2332117513 POHVMKZAFVYEFI-UHFFFAOYSA-N 316.401 3.496 10 10 DGCE C[C@@H](Nc1cccc(NS(C)(=O)=O)c1)c1cc(F)ccc1O 176982144 NQJOKHJNCXJSHA-SNVBAGLBSA-N 324.377 3.076 10 10 DGCE CCN(c1c(F)cc(CNC(C)C)cc1F)[C@H](C)COC 62713731 MZZCPNIOAQEEEN-GFCCVEGCSA-N 300.393 3.324 10 10 DGCE CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(CCCN=[N+]=[N-])C2 1895301607 FUKQUGUYECLJFJ-BBRMVZONSA-N 323.441 3.314 10 10 DGCE Oc1ccccc1CNc1cccc(Cl)c1-n1cncn1 37085743 DMLFYTKFOMBNRL-UHFFFAOYSA-N 300.749 3.238 10 10 DGCE CC(=O)c1cc(F)cc(CN[C@@H](C)c2nc(C)cs2)c1O 184218314 FMPHQFFURTZPMY-VIFPVBQESA-N 308.378 3.350 10 10 DGCE CC[C@H](CN[C@H](C)c1cc(O)ccc1O)NC(=O)OC(C)(C)C 227716669 IYAFFIIJKBBSQQ-VXGBXAGGSA-N 324.421 3.052 10 10 DGCE CN(C)c1ccc(-c2nc3c(s2)CCC[C@H]3C(=O)O)cc1 136516129 HKZQKKHGEQDGOJ-GFCCVEGCSA-N 302.399 3.381 10 10 DGCE CCN(CC)CCSCCCC(=O)Nc1ccc(N)cc1 88733726 KDVCDLIPVHSFIL-UHFFFAOYSA-N 309.479 3.063 10 10 DGCE COc1cccc([C@H]2CN(Cc3cc(C)ccc3O)CCO2)c1 93080264 PGHRJELOFSJKNX-LJQANCHMSA-N 313.397 3.283 10 10 DGCE CN(C)c1ccc(/C=C2/N=C(COc3ccccc3)OC2=O)cc1 253439377 PIUZRTZSFDWHKQ-SFQUDFHCSA-N 322.364 3.128 10 10 DGCE O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1[C@H]2CCC[C@H]21 807185134 HYDRTHXDUZHXSC-IAZYJMLFSA-N 315.200 3.297 10 10 DGCE CCCN(Cc1ccccc1O)[C@@H]1CCN(C(C)(C)C)C1=O 822653834 CUCKRKXIJVWIRF-OAHLLOKOSA-N 304.434 3.004 10 10 DGCE O=C(NC12CCC(CC1)C2)c1cc2cc(O)c(O)cc2s1 907337030 YCPSSKRWZYJSAY-UHFFFAOYSA-N 303.383 3.375 10 10 DGCE Cc1cccc(-n2c(C)cc(-c3nc(C4(N)CC4)no3)c2C)c1 905315057 OEMHGOQXPQJLGA-UHFFFAOYSA-N 308.385 3.400 10 10 DGCE C[C@H](NC1CC(CC(N)=O)C1)c1cc(Cl)c(Cl)cc1O 903259326 HSGUOJKBDWTKQM-UEJVZZJDSA-N 317.216 3.004 10 10 DGCE COC(=O)[C@@H]1C[C@H]2CC[C@H]1N(Cc1cc(Cl)cc(C)c1O)C2 839172674 PNMWHJUOFZADNS-KCPJHIHWSA-N 323.820 3.128 10 10 DGCE CCc1cccc(CN2CCC[C@@H](CO)[C@H]2C(F)(F)F)c1O 848918017 MUINGTQBBHBJEM-ZFWWWQNUSA-N 317.351 3.090 10 10 DGCE Cc1cc(O)c(CNCc2ccc(CCN)cc2)c(Cl)c1 841034138 WEAQUWGANONLSP-UHFFFAOYSA-N 304.821 3.145 10 10 DGCE Cc1cc(O)c(CNC2CC(N3CCCCC3)C2)c(Cl)c1 840941528 YUQPZUMWBHXSLM-UHFFFAOYSA-N 308.853 3.461 10 10 DGCE CCN(CC)c1ccc(CNCc2cnc(Cl)n2C)cc1 848529269 UPPHULDEHSWTFJ-UHFFFAOYSA-N 306.841 3.210 10 10 DGCE Cc1cc(N(C)C)ccc1CN[C@H](C1CC1)[C@@H]1CCCCO1 848921460 BJVZOHJUKUUZBF-RBUKOAKNSA-N 302.462 3.498 10 10 DGCE COC(=O)c1ccc(O)c([C@H](C)N[C@H](C)c2nc(C)cs2)c1 756533763 IBQFUOSITGUTAB-WDEREUQCSA-N 320.414 3.356 10 10 DGCE COC[C@H](CN(Cc1ccco1)c1ccc(OC)c(F)c1)OC 851848466 LYEYDZKCVZEOQU-HNNXBMFYSA-N 323.364 3.095 10 10 DGCE Cc1ccccc1-n1c(C)cc(C(=O)N2CC3(CCCO3)C2)c1C 862821695 YLQORFWIFCGWNA-UHFFFAOYSA-N 324.424 3.408 10 10 DGCE CCOc1ccc(O)c(CN2CC[C@H](c3ccc(O)cc3)C2)c1 862540156 AJGLTOOMMQVNDM-HNNXBMFYSA-N 313.397 3.486 10 10 DGCE COc1ccc(O)c(CNC(=O)c2nc(C(C)(C)C)cs2)c1 866767554 UCWLTOMMXOMZKB-UHFFFAOYSA-N 320.414 3.085 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CC3CCC2CC3)c1 769189159 SZZCQVSLBBOIRF-ITDKRANNSA-N 318.417 3.340 10 10 DGCE COc1ccc2c(c1)NC1(CCCCCC1)CN2CCCN 76931235 RFXBUDAVFZCDRJ-UHFFFAOYSA-N 303.450 3.369 10 10 DGCE CCc1cc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)no1 1124623311 RDLMOBXHSCGEJJ-UHFFFAOYSA-N 313.401 3.109 10 10 DGCE CCCN(C(=O)OC(C)(C)C)[C@H](CN)c1ccc(N(C)C)cc1 698300897 OYEXFIFKQGZNLB-MRXNPFEDSA-N 321.465 3.400 10 10 DGCE O=C(Nc1ccc2nc(O)n(C3CC3)c2c1)c1cc(O)cs1 1152901795 JVKVOKYHENBNCF-UHFFFAOYSA-N 315.354 3.096 10 10 DGCE CC(=O)c1cc(F)cc(CN2C[C@H]3[C@H]4C=C[C@H](C4)[C@@]3(C)C2)c1O 1308118726 KBACXOOZJWGDHH-XBLMQXIHSA-N 315.388 3.378 10 10 DGCE CSc1c(F)cccc1C(=O)NCc1c(O)cccc1F 1303875485 JBMWRYNJBIRZCM-UHFFFAOYSA-N 309.337 3.322 10 10 DGCE C[C@H](c1ccccc1)n1cc(NC(=O)c2cccc(O)c2O)cn1 1162838814 GDVMWNBLWYQKMA-GFCCVEGCSA-N 323.352 3.156 10 10 DGCE COc1ccc(NCc2c(O)cccc2Br)c(C)n1 1662004807 DUYXGSVWMRZYES-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE CC(C)[C@@]1(CO)CCN(C/C=C/c2ccc(N(C)C)cc2)C1 1326636959 LCCUILCKNQPZJW-UEKDZROGSA-N 302.462 3.106 10 10 DGCE COc1ccc(CNC(=O)NC[C@@H]2C[C@H]2C2CCCC2)c(O)c1 1256435445 FVSLAOYOLZMWCM-HOCLYGCPSA-N 318.417 3.026 10 10 DGCE Cc1cc(S(=O)(=O)N2CC[C@H](CN=[N+]=[N-])C2)sc1Cl 1912152159 PIOWJHYZVHEDTJ-MRVPVSSYSA-N 320.827 3.031 10 10 DGCE Cc1cc(CO)ccc1N(C)Cc1nccn1Cc1ccccc1 1915028955 PPPVKPBMUZNYMQ-UHFFFAOYSA-N 321.424 3.369 10 10 DGCE Cc1ccc(C(=O)N(C)[C@@H](C)Cc2cccs2)c(O)c1O 1445372322 UDTJROCTGCJUSD-NSHDSACASA-N 305.399 3.171 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)C(F)(F)C(F)F 1290374121 GYCMMRPGWLMRIT-UHFFFAOYSA-N 318.314 3.146 10 10 DGCE Cc1ccc(C(=O)CCC(=O)NCc2c(O)cccc2F)cc1 1558456492 YGKGGSHOVTZUTD-UHFFFAOYSA-N 315.344 3.119 10 10 DGCE O=Cc1ccc(/C=C/C(=O)NCc2cc(Cl)ccc2O)cc1 1628680364 HMCOFSBWDISEOT-VMPITWQZSA-N 315.756 3.188 10 10 DGCE CC(C)c1cccc(OCC(=O)NCc2c(O)cccc2F)c1 1638863381 MXPXCUCTWMSIKO-UHFFFAOYSA-N 317.360 3.350 10 10 DGCE CC(C)(C)OC(=O)NC1(C[C@@H](N)c2ccccc2O)CCC1 1928480189 FMGKYDKIHZKLGX-CYBMUJFWSA-N 306.406 3.230 10 10 DGCE CC(C)(NC(=O)Cc1ccc(O)c(O)c1)c1ccc(Cl)cc1 1636438712 UEAJAARLPPRWHB-UHFFFAOYSA-N 319.788 3.345 10 10 DGCE C[C@H](C(=O)NCc1cc(Cl)ccc1O)c1cccc(O)c1 1640924474 NHVCFYDNGOBKFY-JTQLQIEISA-N 305.761 3.171 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)c1ncnc2[nH]ccc12 1650089063 WITOOXUSJRUJKW-UHFFFAOYSA-N 307.401 3.195 10 10 DGCE CC[C@@H](NC1CCN(CCOC(C)C)CC1)c1ccccc1O 156201054 NTYBXGOIFRMITM-GOSISDBHSA-N 320.477 3.322 10 10 DGCE CC(C)[C@H](C(=O)Nc1ccc(N)cc1)N1[C@H](C)CCC[C@H]1C 252199244 SXRWLWMSZUXRFJ-CKEIUWERSA-N 303.450 3.495 10 10 DGCE O=C(CCNCc1cc(Cl)ccc1O)Nc1ccccc1F 1857853710 NJBDVIDPYLKGRR-UHFFFAOYSA-N 322.767 3.303 10 10 DGCE C[C@H](NC[C@@H]1C[C@H]1CNC(=O)OC(C)(C)C)c1ccccc1O 1973704402 UVYLRGHWLRILDQ-IHRRRGAJSA-N 320.433 3.204 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(N)cc1)C2 1977969438 APPAWAGRADHMDY-NOLJZWGESA-N 317.433 3.151 10 10 DGCE CCOc1ccc(N(C)C[C@@H](O)COCc2ccccc2)cc1 157307298 JCTRDZWKCUHBLP-GOSISDBHSA-N 315.413 3.099 10 10 DGCE C[C@H](O)c1ccc(N2CCC[C@H]2CF)c(Br)c1 2004455642 PLSRAXMYVKRFAG-ONGXEEELSA-N 302.187 3.441 10 10 DGCE C[C@]1(C2CC2)CNCCN1Cc1cc(Cl)cc(Cl)c1O 2151089287 LVHNLFKAEGHILO-OAHLLOKOSA-N 315.244 3.273 10 10 DGCE CCC[C@H](COC)NCc1c(O)cccc1Br 706871507 AYQMSNSEPOYKJF-SNVBAGLBSA-N 302.212 3.059 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CCP(C)(=O)CC2)c1O 2171942467 NWHBXBRHUIETIG-UHFFFAOYSA-N 315.737 3.057 10 10 DGCE CC1(C)[C@H]2CN(c3cc(Br)c(CN)cc3F)C[C@H]21 379534225 GQHYCCGOGBFAGC-AOOOYVTPSA-N 313.214 3.139 10 10 DGCE CCOC1(C)CCN(c2cc(Cl)c(CN)cc2F)CC1 2177378195 QLFUSJFVYYMVPZ-UHFFFAOYSA-N 300.805 3.333 10 10 DGCE Oc1ccc(Cl)cc1CN1[C@H]2CC[C@H]1c1cncnc1C2 2063545972 UCTBUNLGKPYYJH-WFASDCNBSA-N 301.777 3.097 10 10 DGCE COc1ccc(O)c([C@H](C)n2cc(C(=O)OC(C)(C)C)cn2)c1 2069977690 RANUHKDCKOAWDV-NSHDSACASA-N 318.373 3.162 10 10 DGCE CN(C)Cc1cc(C2CC2)nn1Cc1cc(Cl)ccc1O 2070155613 PLMBGFLGNJEUAF-UHFFFAOYSA-N 305.809 3.229 10 10 DGCE CO[C@]1(CN(C)c2ccc([C@@H](C)O)c(Cl)c2)CCSC1 2186186183 QATAOEXUSFMAHB-ABAIWWIYSA-N 315.866 3.352 10 10 DGCE O=C(O)C=Cc1ccc(N2CC[C@@H]2CF)cc1Br 2063238323 WPTRNLNQYDTZHG-LLVKDONJSA-N 314.154 3.095 10 10 DGCE C[C@@H](NC[C@]1(Br)CC1(F)F)c1ccc(F)cc1O 2082488758 HFELTLFDPCSQTR-RDDDGLTNSA-N 324.140 3.355 10 10 DGCE CCN[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2O)C1 2096690951 VZFMNEXETYUAJF-GFCCVEGCSA-N 303.233 3.273 10 10 DGCE O=C(O)c1cc(Sc2ncc(C(F)(F)F)s2)ccn1 2099852978 JDPYRQOYRHJZLL-UHFFFAOYSA-N 306.290 3.406 10 10 DGCE COCCN([C@@H](C)c1ccc(Cl)cc1O)[C@H](C)COC 2203340342 YRWBCDYAEYXVHL-NEPJUHHUSA-N 301.814 3.090 10 10 DGCE CSc1ncc(CNC[C@@H]2CC[C@H](C(F)(F)F)O2)s1 2208786738 PKJBQUNZUFEKMV-IONNQARKSA-N 312.382 3.065 10 10 DGCE CSc1ncc(CNC[C@@H]2CCCCC[C@@H]2CO)s1 2269314270 SENCTJXDWDTHRB-NWDGAFQWSA-N 300.493 3.143 10 10 DGCE CC1=NN(Cc2ccc(F)cc2)C(=O)C1=Cc1ccc(O)cc1 2332099567 GWOHRIXGTYDQJY-UHFFFAOYSA-N 310.328 3.333 10 10 DGCE CCCC1=NN(C)C(=O)C1=Cc1ccc(Cl)c([N+](=O)[O-])c1 2332134402 ULIHLUTUOHUQTA-UHFFFAOYSA-N 307.737 3.260 10 10 DGCE Nc1ccc(Cc2nc3c(Br)cccc3[nH]2)cc1 302474979 RMAOZCOSABQLJQ-UHFFFAOYSA-N 302.175 3.498 10 10 DGCE CCCOc1ccc([C@H]2NC(=O)c3ccccc3N2C)c(O)c1 121771713 JKKNJDYQWBYAAR-KRWDZBQOSA-N 312.369 3.059 10 10 DGCE CCCCOC[C@H](O)CSc1ncc(-c2ccccc2)n1C 193361512 ZRLKDDAHJQKCBU-HNNXBMFYSA-N 320.458 3.357 10 10 DGCE COc1ccc(CN(CCc2nccs2)C(C)C)c(O)c1 93764352 VOWXLHBZPMZLED-UHFFFAOYSA-N 306.431 3.310 10 10 DGCE O=C(NCCc1ccc(O)c(O)c1)c1cccc2ccccc12 98074520 APKCRRDIULODSY-UHFFFAOYSA-N 307.349 3.224 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@@H]2C(F)F)cc1F 801153402 GHKDMOKPEBZOKE-RYUDHWBXSA-N 314.351 3.189 10 10 DGCE CC1(C)CN(C(=O)c2cccc3c2CCNC3)c2cc(F)ccc21 662828309 HSJKHJGISJFLLQ-UHFFFAOYSA-N 324.399 3.409 10 10 DGCE CCOc1ccc(O)c(CN2C[C@H](C)O[C@](C)(C(F)F)C2)c1 827962816 UECNFNVPISEDAO-ZBEGNZNMSA-N 315.360 3.035 10 10 DGCE CC[C@H]1[C@H](CO)CCN1Cc1cc(OC)cc(C(C)(C)C)c1O 826043696 OQWIBBJQYDQVLY-GUYCJALGSA-N 321.461 3.291 10 10 DGCE c1cc(N2CCOCC2)ccc1CNC1C[C@@H]2CCC[C@H]2C1 902761378 OXTDFCVXPPPGAQ-IRXDYDNUSA-N 300.446 3.192 10 10 DGCE O=C(NCCCSc1nccs1)c1[nH]ccc1C1CC1 837414937 SIDUXEVJIVLPRU-UHFFFAOYSA-N 307.444 3.261 10 10 DGCE Cc1cc(C(=O)CN2C[C@H](C)[C@H]2C)c(C)n1-c1ccc(F)cn1 830027958 CRGQEIXIIMDCOA-WCQYABFASA-N 315.392 3.151 10 10 DGCE CN(C)CC1CCC(NC/C=C\c2ccc(N(C)C)cc2)CC1 835042735 XJVCDNIKLIXNJP-WAYWQWQTSA-N 315.505 3.476 10 10 DGCE C[C@H](N[C@@H]1CCN(c2ccc(F)cc2)C1)c1ccccc1O 840896612 JIVRHIGSBZXXPD-DZGCQCFKSA-N 300.377 3.461 10 10 DGCE CCN(CC)c1ccc(CN(C)CC(=O)NC(C)(C)CC)cc1 741678102 JLYJLOQXZLCAKF-UHFFFAOYSA-N 319.493 3.269 10 10 DGCE Oc1ccc(Cl)cc1CN1CCC[C@H](C2CCNCC2)C1 849350835 YAUWGDOERRGRPQ-AWEZNQCLSA-N 308.853 3.257 10 10 DGCE CCc1ccc(CN(C)CCN(C)c2ccc(OC)cc2)nc1 844401840 NNOUFDFOHIQBMU-UHFFFAOYSA-N 313.445 3.221 10 10 DGCE Cc1ccc(O)c([C@H](C)N[C@H]2CCCc3c2ccc(=O)n3C)c1 846215076 JZQSAQDDUNWBOO-BBRMVZONSA-N 312.413 3.128 10 10 DGCE CCN(Cc1c(F)cncc1F)c1ccc(OC)c(OC)c1 929896220 BVRXSLUUMMTZEA-UHFFFAOYSA-N 308.328 3.404 10 10 DGCE CN(C)c1ccc(CN2CCOC[C@@H]2c2cccc(F)c2)cc1 852549850 PVAKEDMISWHITF-LJQANCHMSA-N 314.404 3.465 10 10 DGCE C[C@H](NCCN1[C@@H](C)CCC[C@@H]1C)c1cc([N+](=O)[O-])ccc1O 756555694 UVHLGHRHYCDPEM-IHRRRGAJSA-N 321.421 3.214 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)C(C)(C)C(C)(C)C)C2)cc1 855226990 SEPHMMZGDBPGNX-AWEZNQCLSA-N 318.461 3.462 10 10 DGCE Nc1ccc(Cc2noc([C@@H]3COC[C@H]3c3ccccc3)n2)cc1 854134636 RPFJZGPMBARXRO-DLBZAZTESA-N 321.380 3.140 10 10 DGCE C[C@H](NC(=O)N[C@H](C)CCc1ccco1)c1ccccc1O 867984829 PHNIHUBJMPBPJA-OLZOCXBDSA-N 302.374 3.367 10 10 DGCE COc1cc(C)cc(CN[C@@H](c2ccccc2F)[C@@H](C)O)c1O 895133507 KRPXGMZBAPTOJL-SJKOYZFVSA-N 319.376 3.060 10 10 DGCE CC1(C)SC[C@@H]1NCc1cccc(Br)c1O 390501733 UYNWYMHQEULBRZ-JTQLQIEISA-N 302.237 3.138 10 10 DGCE CCCN(Cc1ncc(C(=O)OC)s1)Cc1ccccc1O 893984953 VTHFYAVJADAXTI-UHFFFAOYSA-N 320.414 3.048 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)/C=C2\CC[C@@H](C)C2)cc1 1130745446 WXSFWPKUNKTRNT-DPEHCCBOSA-N 316.445 3.336 10 10 DGCE CC(C)N1CCC[C@H](C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 1138363881 ROSNIZHVPDSQCP-RDJZCZTQSA-N 317.477 3.050 10 10 DGCE CC(C)(C)[C@H]1CCN(Cc2c(O)ccc(Cl)c2F)C[C@H]1O 792174128 LRHISUKEEXDZRQ-SMDDNHRTSA-N 315.816 3.414 10 10 DGCE CN(C)c1ccc(CNC(=O)Cc2ccc(Cl)c(F)c2)cc1 790482659 MRXYGFZSNDXJSJ-UHFFFAOYSA-N 320.795 3.404 10 10 DGCE COc1ccc(O)c(CNc2cncc(Br)c2C)c1 722752524 QTJWFVSBUYRFCM-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE O=C(CCOc1ccc(F)cc1)NCc1cccc(Cl)c1O 1305069466 GBSZKDZLFYVCIZ-UHFFFAOYSA-N 323.751 3.270 10 10 DGCE O=C(C[C@@H]1CCCc2ccccc21)NCc1cc(O)ccc1O 1153885949 UHOVCNPOAMNXPI-AWEZNQCLSA-N 311.381 3.224 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)NCC1(CC2CC2)CC1 1254787632 TXVKJPVYFWMSRY-UHFFFAOYSA-N 315.461 3.474 10 10 DGCE CON(Cc1ccccc1)Cc1ccc(N2CCOCC2)cc1 1340782508 JTSFRKLAUDOJKU-UHFFFAOYSA-N 312.413 3.087 10 10 DGCE CN(Cc1ccccc1O)c1nnc(-c2cccnc2)n1C1CC1 1503488837 XJVDPMWYGMSSGQ-UHFFFAOYSA-N 321.384 3.017 10 10 DGCE Cc1ccncc1/C=C\C(=O)NCc1cccc(Cl)c1O 1606860747 RIGCTKCZSZOPHF-WAYWQWQTSA-N 302.761 3.079 10 10 DGCE Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2)c(F)c1F 1531321110 NHDNPLZJTZISHP-UHFFFAOYSA-N 304.340 3.269 10 10 DGCE CCCC(=O)N[C@H]1CC[C@@H](CNCc2ccc(OC)c(C)c2)C1 1486189985 FOTIVJGYBFMZGV-SJORKVTESA-N 318.461 3.178 10 10 DGCE CC(C)(C)N1CC[C@@H]1C(=O)NCc1c(O)ccc2ccccc12 1639387519 MVWKUDXBQRMEIQ-MRXNPFEDSA-N 312.413 3.034 10 10 DGCE O=C(NCc1cc(O)ccc1O)c1cc(-c2ccccc2)ccn1 1651225253 BXJIFVPLHSWSLU-UHFFFAOYSA-N 320.348 3.090 10 10 DGCE Cc1ccc(CCCNC(=O)c2c(F)ccc(O)c2O)c(C)c1 1654126421 KQRBCMIWAORWBO-UHFFFAOYSA-N 317.360 3.216 10 10 DGCE O=C(NCc1c(O)cccc1F)c1cc(-c2cccs2)on1 1596912536 OICZBDVJMDUXIW-UHFFFAOYSA-N 318.329 3.178 10 10 DGCE C[C@H](C(=O)NCc1cc(O)ccc1O)c1cccc(Cl)c1 1593873235 MOODCABQXZPTGY-JTQLQIEISA-N 305.761 3.171 10 10 DGCE C[C@@H]1CCCN(CCCN=[N+]=[N-])[C@H]1CNC(=O)OC(C)(C)C 1962287848 NVYPVLWQYGAPTP-OLZOCXBDSA-N 311.430 3.312 10 10 DGCE Oc1ccc(Br)cc1CNC[C@@H](F)C(F)(F)F 1876099688 IBVYMFDUDGULMJ-SECBINFHSA-N 316.092 3.145 10 10 DGCE C[C@@H]1C[C@](O)(c2ccc(N(C)C)cc2)CN1Cc1ccccc1 1977939999 UMUKCNKTUHKBSM-OXQOHEQNSA-N 310.441 3.235 10 10 DGCE Oc1c(Br)cccc1CN[C@H](CF)C(F)(F)F 2012902685 ORXNBHZBVQRGCU-MRVPVSSYSA-N 316.092 3.145 10 10 DGCE NCc1ccc(N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc1 310225276 GRNNESHKOPBCRB-UXHICEINSA-N 321.468 3.104 10 10 DGCE CCOC(=O)[C@H](NCCCN=[N+]=[N-])c1ccsc1Cl 312661668 KEDWTQZAKWLNCY-SECBINFHSA-N 302.787 3.296 10 10 DGCE CS[C@H]1CCCN(c2ccc(CN)cc2Br)C1 383002306 DZDWUIICKPHJAJ-NSHDSACASA-N 315.280 3.240 10 10 DGCE Oc1c(F)cc(Br)cc1CNCc1nccs1 715790794 XLYLWHNBDPQIKO-UHFFFAOYSA-N 317.183 3.040 10 10 DGCE COc1cnn([C@H](C)c2c(O)cccc2F)c1Br 2070288640 WAKNMXCVXYSPSR-SSDOTTSWSA-N 315.142 3.108 10 10 DGCE CCOC(=O)c1cnn(Cc2c(O)cccc2Cl)c1Cl 2070390631 FLGRYXJMMAIBCH-UHFFFAOYSA-N 315.156 3.121 10 10 DGCE Cc1cccc(O)c1Cn1nc(C)c([N+](=O)[O-])c1C(F)(F)F 2079231008 UZOMBUIRQBWEQM-UHFFFAOYSA-N 315.251 3.181 10 10 DGCE Oc1cc(Br)ccc1CNC[C@@H]1C[C@@H]1C(F)(F)F 2041781905 ZTGFDVDGQATADV-WPRPVWTQSA-N 324.140 3.443 10 10 DGCE CCCN[C@](CSc1nccs1)(CC(C)C)C(=O)OC 2207918208 UYMWHUVJDASXOX-AWEZNQCLSA-N 316.492 3.193 10 10 DGCE COc1ccc(Br)c(CN2C[C@@H](F)C[C@@H]2C)c1O 2220483602 KMJISYDGKFBDJN-IUCAKERBSA-N 318.186 3.096 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@@H]3C[C@H]2[C@@H]2C[C@H]32)cc1Br 2308726057 UTWDGEGATVKERC-IDVPMLIHSA-N 307.235 3.313 10 10 DGCE Cc1ccc(CN[C@@H]2COC(C)(C)C2)c(O)c1Br 2327798779 MGEXHASJLKSEHR-NSHDSACASA-N 314.223 3.120 10 10 DGCE CCCN(Cc1cc(Br)ccc1O)[C@@H]1CCOC1 311168856 ROTUYIPDTQUYCW-CYBMUJFWSA-N 314.223 3.156 10 10 DGCE COc1ccc(I)c2c(O)csc12 306581127 PLGFQONLNHYWQW-UHFFFAOYSA-N 306.124 3.220 10 10 DGCE Cc1cc(Cl)cc(CN2CCC[C@H]2c2cnn(C)c2)c1O 180053203 MKFNQUPOWQGQNG-HNNXBMFYSA-N 305.809 3.425 10 10 DGCE CCCCC1=NN2C(=N)/C(=C\c3ccco3)C(=O)N=C2S1 33424284 HQTOTHWZXYYTGN-YTSBNYKBSA-N 302.359 3.089 10 10 DGCE Cc1ccc(Cl)cc1NC(=O)Nc1cc(O)c(O)c(O)c1 217278715 WBOQQOKMQDXGPH-UHFFFAOYSA-N 308.721 3.409 10 10 DGCE Cc1cc(CN(C)Cc2cc(Br)ccc2O)no1 92254054 URPLHRMQGKPMDQ-UHFFFAOYSA-N 311.179 3.083 10 10 DGCE N[C@@H](CCO)c1cc(Cl)c(OCc2ccccc2)cc1O 95770142 VRWJVVVAROVETP-AWEZNQCLSA-N 307.777 3.007 10 10 DGCE Nc1ccc(N(C(=O)NC[C@H]2CCCO2)c2ccccc2)cc1 242548400 BZVZSUFATAGTLT-QGZVFWFLSA-N 311.385 3.296 10 10 DGCE O=C(NCc1ccc(O)c(O)c1)[C@@H]1CC[C@@H]1c1ccc(F)cc1 528863805 QPEDJXAGCQKTKM-HUUCEWRRSA-N 315.344 3.047 10 10 DGCE CCO[P@@H](=O)[C@@H](N)c1ccc(OCc2ccccc2)cc1O 382645462 WOJTUFOQFISEKF-MRXNPFEDSA-N 321.313 3.440 10 10 DGCE CC[C@@H](NCc1cc(Cl)cc(Cl)c1O)[C@@H](O)C(F)F 295071467 PGCRLVUIUXLIMV-MWLCHTKSSA-N 314.159 3.193 10 10 DGCE C[C@H](N[C@@H]1CCCCNC1)c1cccc(C(F)(F)F)c1O 817983695 IHXVKPAZGJUPPT-WDEREUQCSA-N 302.340 3.204 10 10 DGCE O=C(c1cc(O)cs1)N1CCO[C@H](c2ccc(Cl)cc2)C1 731870862 PFMQRDMVHBPKQA-ZDUSSCGKSA-N 323.801 3.321 10 10 DGCE CCC[C@]1(CO)CCN(C/C=C\c2ccc(N(C)C)cc2)C1 835051875 AWHUXQVCZUGKRA-VOFKWLDRSA-N 302.462 3.250 10 10 DGCE OC1(C2CCN(Cc3ccc(N4CCCCC4)cc3)CC2)CC1 846008442 NUDXXOXWIHQGOR-UHFFFAOYSA-N 314.473 3.414 10 10 DGCE Cc1cc(N(C)C)ccc1CN1CCC[C@@H](C2CCNCC2)C1 849350758 VFVPLFBLVPUKHQ-LJQANCHMSA-N 315.505 3.273 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CC[C@@]3(C2)CC3(F)F)c1O 844470442 HWTSIFOFJNZXAI-AWEZNQCLSA-N 315.747 3.479 10 10 DGCE Cc1cc(O)c(CNCC[C@]2(O)C[C@H]3CC[C@H]2C3)c(Cl)c1 840948852 YQAUFCMNJFLKSH-DCGLDWPTSA-N 309.837 3.385 10 10 DGCE Cc1cc(O)c(CNC2CCN(CC3CC3)CC2)c(Cl)c1 840879849 ICNVPKAXWXXCPM-UHFFFAOYSA-N 308.853 3.318 10 10 DGCE CCOC(=O)CCCCCN1CCCc2cc(CN)ccc21 843349792 COAITVIVEXCEEC-UHFFFAOYSA-N 304.434 3.021 10 10 DGCE O=C(NCc1cccc(Cl)c1O)Nc1nc2c(s1)CCC2 929355918 SCIJXGYKUKBZSH-UHFFFAOYSA-N 323.805 3.313 10 10 DGCE CNCc1ccccc1CNCc1c(O)cc(C)cc1Cl 844904347 IQTBECFXYFYWLQ-UHFFFAOYSA-N 304.821 3.363 10 10 DGCE Cc1cc(CC(=O)N2CC[C@H](F)C2)c(C)n1-c1ccccc1 854742775 SZEWEKBTZVAMJW-INIZCTEOSA-N 300.377 3.207 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC(C)(C)OC1(C)C 858199724 PRZIBMWZFBCNBD-INIZCTEOSA-N 318.461 3.305 10 10 DGCE C[C@@H]1CCC[C@@H](CNCc2cc(Cl)cc([N+](=O)[O-])c2O)O1 850379804 YFRFNKYCFXIVRL-SKDRFNHKSA-N 314.769 3.001 10 10 DGCE Cc1cc(C)c([C@@H](C)N[C@H]2C[C@@H]3OC(C)(C)O[C@@H]3C2)c(O)c1 927056171 JEKWDFLFGOMVFM-XOUADPBQSA-N 305.418 3.342 10 10 DGCE COc1cc(CN2CCO[C@@H](C3CCCCC3)C2)c(O)cc1C 758291775 QEHXEBGBCXDUOI-LJQANCHMSA-N 319.445 3.490 10 10 DGCE CC[C@@H](NC[C@@H]1CNCCC1(F)F)c1cccc(Cl)c1O 925779623 YPOKQIRQSBSAOZ-GXFFZTMASA-N 318.795 3.331 10 10 DGCE Cn1ncc(C2CCC2)c1CNCc1ccc2c(c1)CCCO2 922251543 STBJIJDGIHSHPR-UHFFFAOYSA-N 311.429 3.302 10 10 DGCE Cc1cc(Cl)cc(CNC[C@H](O)CCc2ccccc2)c1O 753594398 LRSAEGNLBDJFEG-QGZVFWFLSA-N 319.832 3.437 10 10 DGCE COc1ccc(N2CC[C@@H](NCc3cccc(F)c3F)C2)cc1 850347397 RRYNXIDXZRBXIA-CQSZACIVSA-N 318.367 3.342 10 10 DGCE CCc1onc(C)c1CN(C)CCN(C)c1ccc(OC)cc1 930851831 BHZLGBYAJFKIAQ-UHFFFAOYSA-N 317.433 3.122 10 10 DGCE C[C@H](CNC(=O)N[C@@H](C)c1ccccc1O)CC(F)(F)F 868706599 YQUHIMYWYHLLOQ-UWVGGRQHSA-N 304.312 3.341 10 10 DGCE OC[C@]12CCC[C@H]1CN(Cc1cc(Cl)cc(Cl)c1O)C2 862529507 UEFFQFIKNUVSEQ-XHDPSFHLSA-N 316.228 3.293 10 10 DGCE CCN(CC)C(=O)C1CCN(Cc2cccc(Cl)c2O)CC1 775665136 YSQRUUXOQRGVPB-UHFFFAOYSA-N 324.852 3.126 10 10 DGCE Cc1cccc(CO[C@@H](C)C(=O)N2Cc3cccc(O)c3C2)c1 871207029 IRWVKLCRCHSCQP-AWEZNQCLSA-N 311.381 3.148 10 10 DGCE O=C(NC(C1CC1)C1CC1)c1cc2cc(O)c(O)cc2s1 895614507 PABRFFRFRZSCAY-UHFFFAOYSA-N 303.383 3.231 10 10 DGCE C[C@H]1CN(C)CCN(Cc2cc(Cl)cc(Cl)c2O)C1 707531297 SLQFZCGNSZGMHC-JTQLQIEISA-N 303.233 3.083 10 10 DGCE CCN(C(=O)c1ccc(Br)cn1)c1ccc(N)cc1 63114323 YVQVQSWFUQKYPL-UHFFFAOYSA-N 320.190 3.093 10 10 DGCE CC[C@H](C)[C@H](OC)C(=O)NCc1c(O)ccc2ccccc12 1179033579 YWDIZSDARCZRCZ-SJCJKPOMSA-N 301.386 3.223 10 10 DGCE C[C@@H](O)[C@H](NCc1ccc(N2CCCC2)cc1)c1ccccc1 1327264001 NRICZDYLHXESRX-UZLBHIALSA-N 310.441 3.499 10 10 DGCE COc1ccc(CNC[C@H](C)N(C)C(=O)[C@H](C)C(C)C)cc1C 1271128518 CZFLNOPHRDOPCE-JKSUJKDBSA-N 320.477 3.232 10 10 DGCE C[C@@H]1CC=C(C(=O)N2CCOc3cc(N(C)C)ccc32)CC1 1293955329 GKJXOMGQXXZQPD-CYBMUJFWSA-N 300.402 3.224 10 10 DGCE CCC(CC)(CNC(=O)Cc1ccc(O)c(O)c1)C(F)(F)F 1454971418 VZUOLUWIDNCTHE-UHFFFAOYSA-N 319.323 3.125 10 10 DGCE CN(Cc1ccns1)C(=O)c1cc2cc(O)c(O)cc2s1 1453128490 DGAFIXMFPLHDEX-UHFFFAOYSA-N 320.395 3.041 10 10 DGCE Cc1ncc(CNC(=O)c2cc3cc(O)c(O)cc3s2)s1 1542369134 HUFXBCMVNDOHTL-UHFFFAOYSA-N 320.395 3.007 10 10 DGCE Cc1ccc(Cl)cc1OCC(=O)NCc1ccccc1O 1622772772 GOCFLJLSLNIOEN-UHFFFAOYSA-N 305.761 3.049 10 10 DGCE CC(C)(C)Oc1cccc(CNC(=O)c2cccc(O)c2O)c1 1644894451 RELVWNUUCIRRBL-UHFFFAOYSA-N 315.369 3.205 10 10 DGCE CN(C)c1ccc(CNC(=O)c2cc(C=O)sc2Cl)cc1 1587316943 PGUXUPLBYCHHSD-UHFFFAOYSA-N 322.817 3.210 10 10 DGCE Cc1cc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)c(C)n1-c1ccccc1 1653997223 LBLLOUQKBVEMMD-IPMKNSEASA-N 324.424 3.073 10 10 DGCE CC[C@H]1CN[C@H](CC)CN1Cc1cc(Cl)cc(OC)c1O 169220630 JRALOWFVMQDXMR-KGLIPLIRSA-N 312.841 3.017 10 10 DGCE CNCc1ccc(OC)c(C[S@](=O)[C@@H]2CCC[C@H](C)C2)c1 203654522 AJOYMICYHKPVDF-QSZISKGPSA-N 309.475 3.242 10 10 DGCE CN[C@@H](c1ccccc1O)C1(CNC(=O)OC(C)(C)C)CCC1 1936973486 KNNJBOKUFSDEFO-HNNXBMFYSA-N 320.433 3.348 10 10 DGCE CCN1N=C(C(F)(F)F)/C(=C/c2cn(C)c3ccccc23)C1=O 1865670447 AEENZTPHKYQNLJ-WQLSENKSSA-N 321.302 3.342 10 10 DGCE CCC1=NN(Cc2ccccc2F)C(=O)/C1=C/c1ccncc1 1865673500 HUTWBSHOMYOSJO-RVDMUPIBSA-N 309.344 3.413 10 10 DGCE C[C@H](O)c1ccc(N2C[C@H](C)[C@@H](F)C2)cc1Br 1947313776 VZVZLQFJLJIRST-RVBZMBCESA-N 302.187 3.297 10 10 DGCE CCc1c(NCc2c(O)cccc2Br)cnn1C 1963190606 MVJADGVAIQPZAB-UHFFFAOYSA-N 310.195 3.063 10 10 DGCE Cc1nc[nH]c1CCNCc1cc(Cl)cc(Cl)c1O 1970612243 LFBIJANGHNYPDC-UHFFFAOYSA-N 300.189 3.063 10 10 DGCE COc1cc(Cl)cc(CN[C@H]2C[C@@H]3CSC[C@@H]3C2)c1O 1973975144 GFNQGKGETHSZSA-PJXYFTJBSA-N 313.850 3.285 10 10 DGCE CN(CC(C)(C)CO)c1ccc(CNC(=O)OC(C)(C)C)cc1 1977923246 RJLQVDGDGRFTSA-UHFFFAOYSA-N 322.449 3.166 10 10 DGCE Clc1ccc(COc2ccc(N3CCNCC3)cc2)s1 35650826 WDZBTCUDPBTWGJ-UHFFFAOYSA-N 308.834 3.390 10 10 DGCE C[C@@H](N)c1ccc(N2CC[C@H]2C(F)F)cc1Br 2004456331 PMDBERNQJMYFJL-HQJQHLMTSA-N 305.166 3.313 10 10 DGCE Oc1c(Br)cccc1CN[C@H]1C[C@@H]1C(F)(F)F 1998615069 PKYXYKYHLXRPOB-CBAPKCEASA-N 310.113 3.195 10 10 DGCE Oc1ccc(Br)cc1CNC[C@@H]1CCCOCC1 2028645747 LBBZRWVLNUCPFK-LLVKDONJSA-N 314.223 3.061 10 10 DGCE C[C@H](N)c1ccc(N(C)[C@H]2CCCOC2)cc1Br 401496083 DJOFNVLJCJEPCT-JQWIXIFHSA-N 313.239 3.084 10 10 DGCE COc1cc(Cl)cc(CN(C)CCCCCCN)c1O 710683510 JHLMROXHWHJICI-UHFFFAOYSA-N 300.830 3.005 10 10 DGCE CNCc1cc(CC(C)C)nn1[C@@H](C)c1cc(C)ccc1O 2070058715 OQWSOGSAGBVKQI-AWEZNQCLSA-N 301.434 3.424 10 10 DGCE CC1(c2nn(Cc3cc(F)ccc3O)c(N)c2C2CC2)CC1 2079772997 XUYYRGYCGITGNZ-UHFFFAOYSA-N 301.365 3.287 10 10 DGCE [N-]=[N+]=NCC1CCN(C(=O)c2csc(C(F)F)n2)CC1 2188741616 WOHAJQOUNCTDFX-UHFFFAOYSA-N 301.322 3.243 10 10 DGCE Oc1ccc(F)cc1CNCc1cnc(C(F)(F)F)s1 2196686856 JMAHCRQFEJBJQR-UHFFFAOYSA-N 306.284 3.296 10 10 DGCE COCc1nc(CN(C)c2ccc(CO)c(Cl)c2)cs1 2188820042 FGAFVIAHOMFHLH-UHFFFAOYSA-N 312.822 3.072 10 10 DGCE C[C@H]1CC[C@H](CN(C)Cc2cc(Br)ccc2O)O1 2075379705 BTTBUXCGQZJJHO-GXFFZTMASA-N 314.223 3.154 10 10 DGCE C[C@@H]1CC[C@H](CN(C)Cc2ccc(Br)cc2O)O1 2075393384 VGFGLCJTZIGRJF-ZWNOBZJWSA-N 314.223 3.154 10 10 DGCE CN(CC[C@@H]1CC1(F)F)c1ccc(CO)c(Br)c1 2075424387 JVZRMPUMLRWGQF-SNVBAGLBSA-N 320.177 3.423 10 10 DGCE C[C@@]12C[C@@H]1CN(c1ccc(C=CC(=O)O)cc1Br)C2 2096039050 SPBGYLHPIROTND-ABAIWWIYSA-N 322.202 3.393 10 10 DGCE CSc1ncc(CNC(=O)c2cccc(N)c2Cl)s1 2269091903 BPGZWWPIIQUZJK-UHFFFAOYSA-N 313.835 3.031 10 10 DGCE CC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(C)cc2)SC1=S 2294874654 MLQBCWNRZYEKOJ-LLVKDONJSA-N 321.423 3.059 10 10 DGCE C[C@@H](c1ccc(Cl)cc1O)N1CCO[C@H](P(C)(C)=O)C1 2289225362 JYZNGWHEQSKQSY-IINYFYTJSA-N 317.753 3.388 10 10 DGCE O=C(C=Cc1ccc(N2CCOCC2)cc1)OC1(C2CC2)CC1 2297775230 NWVYKCUGGINTCI-UHFFFAOYSA-N 313.397 3.022 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)N[C@H]1CCc2cc(F)ccc21 2307986717 VLCVBQREUCCNPK-HNNXBMFYSA-N 313.328 3.054 10 10 DGCE CCCN1N=C(C(F)(F)F)C(=Cc2ccc(OC)cc2)C1=O 2332148623 XWDMEJJHHCQXBW-UHFFFAOYSA-N 312.291 3.249 10 10 DGCE CCn1nccc1N(C)Cc1ccc(C)c(Br)c1O 2352636974 NXOLZUULXQOHMN-UHFFFAOYSA-N 324.222 3.316 10 10 DGCE Cc1cc(C(=O)N(C)[C@H]2CCOC2)c(C)n1-c1ccc(F)cc1 106848665 YGTKOOYMXQEFFU-INIZCTEOSA-N 316.376 3.094 10 10 DGCE C[C@H](NCc1ccc(N(C)C)cc1)c1ccc(-n2ccnn2)cc1 119975449 NGGTZZVLWQKZEN-HNNXBMFYSA-N 321.428 3.184 10 10 DGCE COc1ccc(N2CCC(NC(=O)Cc3ccccc3)CC2)cc1 171018246 RJYBEKHNQRBRQB-UHFFFAOYSA-N 324.424 3.023 10 10 DGCE Cc1ccc(O)c([C@@H]2[C@H](C(=O)O)CCN2C(=O)OC(C)(C)C)c1 1952792933 JQSNZTFHLOTQTG-RISCZKNCSA-N 321.373 3.083 10 10 DGCE CCN1CCN(C(=O)/C=C/c2cccnc2C)c2ccccc21 1435045797 RJOZEWKRGYWODW-ZHACJKMWSA-N 307.397 3.276 10 10 DGCE Nc1ccc(Oc2ccc(NC(=O)CCCC(=O)O)cc2)cc1 39899728 APKFXHDTMKIZAP-UHFFFAOYSA-N 314.341 3.255 10 10 DGCE Oc1ccc(OC(F)(F)F)cc1CNCc1cncs1 2361044253 WHTHITOARAEFFX-UHFFFAOYSA-N 304.293 3.037 10 10 DGCE CN(C)c1ccc(CNC(=O)C2CCC(F)(F)CC2)cc1F 121465638 SJICZDZJPLGPSI-UHFFFAOYSA-N 314.351 3.333 10 10 DGCE CCOc1ccc2c(c1)ncc1c(O)c(C(=O)OC)sc12 72237174 OCXXUWKZBBPICD-UHFFFAOYSA-N 303.339 3.340 10 10 DGCE CC1(C)OC(=O)C(=Cc2ccc(Cl)c(Cl)c2)C(=O)O1 34644533 JMRPZVRUVBJTRE-UHFFFAOYSA-N 301.125 3.213 10 10 DGCE CCCC[C@@]1(C)CN(CCCO)c2cc3c(cc2N1)OCCO3 75280901 WZSPPHFEYZEMMX-SFHVURJKSA-N 320.433 3.021 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1ccnc2ccncc12 187059678 YCUNLCCKKZTRPO-UHFFFAOYSA-N 321.380 3.388 10 10 DGCE COc1cc(Cl)cc(CN2CCC[C@@H]2c2cnn(C)c2)c1O 184688763 OYTRQLDYNFEATN-CQSZACIVSA-N 321.808 3.125 10 10 DGCE CC(C)(C)OC(=O)N1CCN(c2ccc(OCCF)cc2)CC1 35929936 WYGWIBJIVGZYMO-UHFFFAOYSA-N 324.396 3.092 10 10 DGCE CN(CC[C@@H](O)c1cccs1)c1ccc(CN)cc1Cl 2366234438 YDVRVJNJWIJYFV-CQSZACIVSA-N 310.850 3.420 10 10 DGCE CN1CCc2cc([C@H](CN)Nc3ccccc3Cl)ccc21 87915801 JRUHMXGILNPTTR-INIZCTEOSA-N 301.821 3.444 10 10 DGCE NC(=O)CN(Cc1ccccc1)Cc1c(O)ccc2ccccc12 93358460 AARLTXRPZYMVIC-UHFFFAOYSA-N 320.392 3.033 10 10 DGCE CCN(c1ccc([C@@H](C)N)c(Br)c1)[C@@H](C)COC 233486724 KOAHVBOYDIGZMO-WDEREUQCSA-N 315.255 3.330 10 10 DGCE C[C@H](N)c1ccc(N2CCSC[C@@H]2C)cc1Br 235512107 QGDLCXKTCZKRJN-UWVGGRQHSA-N 315.280 3.411 10 10 DGCE COc1ccc(CCN[C@H]2C[C@H](C)c3c(F)ccc(O)c32)cn1 527991451 VPUBLILDMHZTMW-FZMZJTMJSA-N 316.376 3.316 10 10 DGCE Cc1nc([C@@H]2CCCN(Cc3cc(Cl)cc(C)c3O)C2)n[nH]1 271789001 IUBMFHKVCBCKDT-GFCCVEGCSA-N 320.824 3.160 10 10 DGCE Oc1c(F)cc(Br)cc1CNC/C=C\C1CC1 715805505 XGDCXGCWWILYPS-UPHRSURJSA-N 300.171 3.350 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1nn(C)c(C)c1Cl 817546095 CTTZUADCEZPIRX-UHFFFAOYSA-N 321.808 3.140 10 10 DGCE FCC[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1 827270810 GNTCCDCFIZWQBJ-INIZCTEOSA-N 306.425 3.095 10 10 DGCE CO[C@H](COC(=O)c1sc2nc(C)cc(C)c2c1N)C1CC1 820195669 XIDDTIZIZAIAFB-LLVKDONJSA-N 320.414 3.077 10 10 DGCE CO[C@H](C)CCNC(=O)Cc1cc(C)n(-c2ccccc2)c1C 825395879 MQGMKGRQUCOUPY-OAHLLOKOSA-N 314.429 3.178 10 10 DGCE O=C(O)[C@@H](O)c1sc2cccc(SC(F)(F)F)c2c1O 725308280 PHDNPBKHIATITF-QMMMGPOBSA-N 324.301 3.337 10 10 DGCE C[C@H](CO)[C@@H](C)NCc1ccc(N(C)Cc2cccs2)cc1 823924090 RCPDXXUIXUZRSM-HUUCEWRRSA-N 318.486 3.491 10 10 DGCE CC[C@H](N[C@H]1CCCN2CCSC[C@H]12)c1ccccc1O 903271144 JLWAOUQDGUZEES-HRCADAONSA-N 306.475 3.013 10 10 DGCE CC[C@@H](NCC1(C2(O)CCOCC2)CC1)c1ccc(C)cc1O 903346911 JMQDFICZIHNJQV-MRXNPFEDSA-N 319.445 3.063 10 10 DGCE C[C@H](NC/C=C\c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1 835052523 GIYFUMZIVTWPSM-QNAMOWSRSA-N 310.441 3.478 10 10 DGCE COC(=O)CC1(NC/C=C\c2ccc(N(C)C)cc2)CCCC1 835055214 XCQLHEDTNKVRFZ-SREVYHEPSA-N 316.445 3.231 10 10 DGCE C[C@@H](COCC(F)(F)F)NC/C=C\c1ccc(N(C)C)cc1 835036564 LUQPVPHPXUQSFJ-ZFDPJTLLSA-N 316.367 3.323 10 10 DGCE CC[C@@H](C)N1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 835053881 FUMNILFRTTUJTH-DKRLNXSXSA-N 301.478 3.182 10 10 DGCE CO[C@H](C)[C@H](C)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C 832803226 YPNHYFKOGMTDBD-GOEBONIOSA-N 314.429 3.176 10 10 DGCE C[C@H](COCC(F)(F)F)NC/C=C\c1ccc(N(C)C)cc1 835036561 LUQPVPHPXUQSFJ-DSYXLKISSA-N 316.367 3.323 10 10 DGCE COCC(C)(C)CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 839510200 YAYBTTVNCVVFKE-UHFFFAOYSA-N 318.461 3.306 10 10 DGCE CCCCCCOCC(=O)NCc1ccc2c(c1)CCCN2C 730748685 HRNKFVFEFKTZFC-UHFFFAOYSA-N 318.461 3.282 10 10 DGCE CC[C@@H](N[C@H](C)c1ccc(N2CCCCCC2)cc1)C(=O)NC 834909756 ATGNGCNLOXEEJI-CRAIPNDOSA-N 317.477 3.242 10 10 DGCE CCOc1ccc(CNCc2ccc([C@@H](C)N)cc2)c(O)c1 841029339 PYFRVIUXORGVQG-CYBMUJFWSA-N 300.402 3.100 10 10 DGCE CCc1cccc(CN[C@@H](C)C(=O)OCc2ccccc2)c1O 848922545 RWKJBUVCSRBJGM-AWEZNQCLSA-N 313.397 3.176 10 10 DGCE CCc1noc([C@@H]2CC[C@H](NCc3ccc(OC)c(C)c3)C2)n1 922871399 FTKYLDOBRHLMPO-CABCVRRESA-N 315.417 3.375 10 10 DGCE C[C@H](N[C@H]1C[C@@](CN)(c2ccccc2)C1)c1ccc(N(C)C)cc1 925887751 LTCDGOOUPJCUIV-NBHGPNQESA-N 323.484 3.462 10 10 DGCE CC[C@@H](CC(F)F)CN1CCN(c2ccc(OC)cc2)CC1 851713343 BTHHWEBNLRWYBN-AWEZNQCLSA-N 312.404 3.499 10 10 DGCE CC(C)(C)OC1CC(CC(=O)NCc2c(O)cccc2F)C1 928707772 HWLGBLKSXPZULH-UHFFFAOYSA-N 309.381 3.131 10 10 DGCE CC(C)OC(=O)N1CCC(N[C@H](C)c2cc(F)ccc2O)CC1 756708341 OSYUBZVSQCOBSV-GFCCVEGCSA-N 324.396 3.191 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)c1cscn1 852514655 KEBYTPJYHUTDRA-GFCCVEGCSA-N 318.446 3.078 10 10 DGCE COC(=O)c1nc(CN[C@@H](C)c2ccccc2O)ccc1Cl 850515102 ZOQFECBIFUTCBG-JTQLQIEISA-N 320.776 3.078 10 10 DGCE C[C@H](NC(=O)NCC[C@H]1CC1(Cl)Cl)c1ccccc1O 868796978 ZNXDVGALXWXOTN-UWVGGRQHSA-N 317.216 3.336 10 10 DGCE CCN(C)c1ccc(CN2CC[C@@H](C(C)(C)C)[C@@H](O)C2)cc1 773832302 OSPWOZNYJMAJKO-MSOLQXFVSA-N 304.478 3.372 10 10 DGCE Cc1cc(Br)cc([C@@H](C)NCc2ccn(C)n2)c1O 779040452 IWMWLBIDOXTHOR-SNVBAGLBSA-N 324.222 3.047 10 10 DGCE C[C@@H]1O[C@H](C)CN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)[C@@H]1C 782623519 YKFUZKZFYZCFGS-TUVASFSCSA-N 319.449 3.021 10 10 DGCE C[C@H]1CNc2cc3c(cc2N1CCc1cccs1)OCO3 76971679 PBZHWCLIDAVRGE-NSHDSACASA-N 302.399 3.340 10 10 DGCE CCCN(CCC)c1ccc(CN2C[C@@H]3C[C@@]3(CO)C2)cc1 783735860 UBXXJIGRWLIDDQ-HKUYNNGSSA-N 302.462 3.127 10 10 DGCE CO[C@@H](C)CN(Cc1cccc(Br)c1O)C(C)C 688095283 NPJFJXSLVPYJNT-NSHDSACASA-N 316.239 3.400 10 10 DGCE Cc1cc(C(=O)N(C)CCCO)c(C)n1-c1ccc(Cl)cc1 799796176 SRZHXJVCAVSBPI-UHFFFAOYSA-N 320.820 3.202 10 10 DGCE CN(C)c1ccc(OCC[C@@H](N)COCc2ccccc2)cc1 1902776240 HSTWRLDDNAUANP-QGZVFWFLSA-N 314.429 3.066 10 10 DGCE C[C@H](N)c1ccc(N(Cc2ccccc2)[C@H](C)CO)c(F)c1 1914367284 YDRHQMUEDRRNIG-KGLIPLIRSA-N 302.393 3.233 10 10 DGCE CO[C@H]1CCC[C@H]1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1356267179 NMLCENKTTDDLSD-MSOLQXFVSA-N 316.445 3.060 10 10 DGCE Cc1cnc(C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)c(Br)c1 1911243848 JHQIQVSOCHQCNN-SECBINFHSA-N 324.182 3.067 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cccnc1F 1353911581 SKIPCUHYKPSVJL-UHFFFAOYSA-N 313.376 3.093 10 10 DGCE C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc2c(c1)CCC2 1447176195 NOCOLSSGSSCAMF-BCRSCGJKSA-N 323.392 3.477 10 10 DGCE Nc1c(F)cc(F)cc1C(=O)Nc1cccc(N2CCCC2)c1 1544687694 PVDOYFXBWILYRM-UHFFFAOYSA-N 317.339 3.400 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)/C(C)=C/c2ccncc2)c1 1622780006 ZWIJMANADWQYIQ-RSKUSDAESA-N 312.369 3.077 10 10 DGCE COc1cc(Cl)ccc1C(=O)NCc1c(O)cccc1F 1596913428 YDTSKTSMLVSZFC-UHFFFAOYSA-N 309.724 3.123 10 10 DGCE Nc1ccc(NC(=O)CCC(=O)c2ccc(F)cc2F)cc1 160431600 RJOCADIECLFMPG-UHFFFAOYSA-N 304.296 3.149 10 10 DGCE O=[N+]([O-])c1ccc(/N=N/c2cc([N+](=O)[O-])ccc2O)c(O)c1 504044766 RCSNUHYXQJOEJS-BUHFOSPRSA-N 304.218 3.330 10 10 DGCE in-vitro CN(C(=O)c1ccc(Br)c(O)c1)c1ccc(N)cc1 234273095 CRQUAPOJQRXDIK-UHFFFAOYSA-N 321.174 3.014 10 10 DGCE CC(C)[C@H]1C[C@H]1NCc1cc(Br)cc(F)c1O 1941441426 KOHIIEZMFJEWKK-ZYHUDNBSSA-N 302.187 3.428 10 10 DGCE C[C@H](NCc1nccn1Cc1ccccc1)c1cc(O)ccc1O 1942379884 GOGXMSYJGRBOTE-AWEZNQCLSA-N 323.396 3.193 10 10 DGCE Oc1ccc(Br)cc1CN1C[C@H]2CC[C@@]1(F)C2 1943057076 RJPBXLFHGARNNO-ZANVPECISA-N 300.171 3.436 10 10 DGCE Cc1scnc1CNCc1cc(Br)ccc1O 1947342867 IYMCNHFLANBNGO-UHFFFAOYSA-N 313.220 3.209 10 10 DGCE Cc1c(CN[C@@H](C)c2ccccc2O)c(Br)nn1C 1877586269 PXZFAZMKQLAGLB-VIFPVBQESA-N 324.222 3.047 10 10 DGCE CN(C)[C@@H](CCNCc1cccc(Cl)c1O)C(F)(F)F 896877864 FWVDKPGUPQEEMD-NSHDSACASA-N 310.747 3.018 10 10 DGCE N[C@@H](CCCC(=O)O)c1cc(Cl)cc(Br)c1O 1951657914 PHBFJEKZAFKREZ-VIFPVBQESA-N 322.586 3.063 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC[C@H]2Nc2ccc(N)cc2)C1 1977677918 IICHHJGJKPVJBP-APHBMKBZSA-N 317.433 3.326 10 10 DGCE CN(Cc1ccc(N)cc1)C[C@@H]1CCCN1C(=O)OC(C)(C)C 1977927302 UQDRDKGBUOWIKJ-INIZCTEOSA-N 319.449 3.100 10 10 DGCE OCc1ccc(N2CCCC[C@@H]2CF)c(Br)c1 2004451368 LIXBHESXIBTAJC-LLVKDONJSA-N 302.187 3.270 10 10 DGCE C[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)C1(C)C)c1ccccc1O 1989694321 KOWWPGKHITWQBL-SWLSCSKDSA-N 320.433 3.441 10 10 DGCE Oc1cc(Br)ccc1CN[C@@H]1C[C@@]12CC2(F)F 2004613128 MIWCTSPEPCMYMV-GHMZBOCLSA-N 304.134 3.042 10 10 DGCE CC[C@@H]1[C@H](N[C@@H](C)c2ccccc2O)CN1C(=O)OC(C)(C)C 1991559108 NVWCCVOGCYHEAM-NWANDNLSSA-N 320.433 3.441 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](C2(Oc3ccc(N)cc3)CC2)C1 1992513855 LTUIUXZALAGNHR-ZDUSSCGKSA-N 318.417 3.437 10 10 DGCE CNCc1ccc(N2C[C@H]3C[C@H]2[C@H]2C[C@@H]32)cc1Br 2041539233 DNFPLIWITMJLNK-HTUGSXCWSA-N 307.235 3.013 10 10 DGCE C[C@@H](O)CC(C)(C)CNCc1cc(Br)ccc1O 304307300 MVASPVXSQPAYMM-SNVBAGLBSA-N 316.239 3.041 10 10 DGCE CN(Cc1ncoc1C(F)F)c1ccc(CN)cc1Cl 2160354943 JYUUPWYFLFTRNM-UHFFFAOYSA-N 301.724 3.361 10 10 DGCE COc1ccc(O)c(Cn2ncc(C3CCCCC3)c2O)c1 2070204890 GGLRDSGCBIKRPV-UHFFFAOYSA-N 302.374 3.399 10 10 DGCE COc1ccc(O)c([C@H](C)n2ncc(-c3ccccc3)c2N)c1 2070240134 FJAWETBHRRAWOW-LBPRGKRZSA-N 309.369 3.456 10 10 DGCE CSc1ncc(CN=c2cc[nH]cc2Br)s1 2243766715 CYMCQEZXVUZACT-UHFFFAOYSA-N 316.249 3.057 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)c2c(Cl)ccc(Cl)c2N)C1 2286895689 FVDRDWWVAHASRO-SSDOTTSWSA-N 314.176 3.491 10 10 DGCE Cc1nc2c(O)cccn2c1N=Nc1ccc(O)c(C(=O)O)c1 2318380373 RALFKLSIUWEERH-UHFFFAOYSA-N 312.285 3.168 10 10 DGCE CNCc1ccc(N(C)C[C@H]2C[C@H](F)C2)cc1Br 2327464577 RLSAQDHMYHOISV-UMSPYCQHSA-N 315.230 3.353 10 10 DGCE Cc1ccc(CN[C@@H](C)c2cnco2)c(O)c1Br 2327613977 ZHWFHGHOBKKSLB-VIFPVBQESA-N 311.179 3.302 10 10 DGCE O=C(Nc1cccc(N2CCOCC2)c1)c1cccc(F)c1F 102336050 ONVZBASKTAXUOM-UHFFFAOYSA-N 318.323 3.054 10 10 DGCE COc1ccc(CN(C)[C@H](C)Cc2ccccc2OC)c(O)c1 179950468 KTELWYBTHRWHSV-CQSZACIVSA-N 315.413 3.472 10 10 DGCE COc1ccc(CN(C)CCOc2ccccc2F)c(O)c1 121529573 IEUZJMNMNINZEX-UHFFFAOYSA-N 305.349 3.051 10 10 DGCE Cc1cc(C(=O)NC[C@H]2CCCO2)c(C)n1-c1cccc(F)c1 131620506 AXNNCXDUMMWEIM-MRXNPFEDSA-N 316.376 3.142 10 10 DGCE COc1cc(N(C)Cc2nc(C)cs2)cc(OC)c1OC 130985303 FMIILUKEIIGJOD-UHFFFAOYSA-N 308.403 3.114 10 10 DGCE CC(=O)N(C(=S)Nc1cccnc1Cl)c1ccc(N)cc1 244036765 SWFVIUKAFQZLHT-UHFFFAOYSA-N 320.805 3.067 10 10 DGCE C[C@H](NC[C@H]1CCCC[C@H]1O)c1cc2c(cc1O)CCCC2 248520247 QWBGWQBSOZDKOI-FDQGKXFDSA-N 303.446 3.473 10 10 DGCE C[C@H](NC[C@H](O)C(F)(F)F)c1ccc(Cl)c(Cl)c1O 273432602 WCXGFSSMJLHHQC-XNCJUZBTSA-N 318.122 3.273 10 10 DGCE O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCCC1(F)F 806432480 MSCCXEMQRJAISU-HNNXBMFYSA-N 323.387 3.274 10 10 DGCE COc1ccc(N2CC[C@@H](CN[C@@H]3CCCSC3)C2)cc1 818222882 XNNIDEAFRIRAEM-LSDHHAIUSA-N 306.475 3.007 10 10 DGCE CN(C)c1ccc(CN2CCO[C@@H](CC(F)(F)F)C2)cc1F 827789282 WFGKEFFWKCJQSS-LBPRGKRZSA-N 320.330 3.045 10 10 DGCE CCN(CC)C[C@@H]1CCN(C/C=C/c2ccc(N(C)C)cc2)C1 835026225 QODGNLHRLPRZRS-UCFODXPJSA-N 315.505 3.430 10 10 DGCE CCN(CC)c1ccc(CNC(=O)N2CC[C@@H]2C2CC2)cc1F 838392580 WCAKHOQAIXCFIW-MRXNPFEDSA-N 319.424 3.366 10 10 DGCE COC[C@@H](CC(C)(C)C)NC(=O)NCc1ccc(N(C)C)cc1 847278212 YNGYECDSCGOYOP-OAHLLOKOSA-N 321.465 3.003 10 10 DGCE NC[C@H]1CC(F)(F)CN1c1ccc(OCc2ccccc2)cc1 1899856165 FTSVSXRQQLGDTF-MRXNPFEDSA-N 318.367 3.438 10 10 DGCE Oc1cc2c(cc1CNC1CCC3(CC1)CC3(F)F)OCO2 850391106 FNDPYOFDCNZDOE-UHFFFAOYSA-N 311.328 3.179 10 10 DGCE CC(C)N(C(=O)OC(C)(C)C)[C@@H](CN)c1ccc(N(C)C)cc1 698278213 ITUYPRZYSXQRNO-INIZCTEOSA-N 321.465 3.398 10 10 DGCE COc1ccc(N2CC[C@H](N[C@H](C)c3nc(C)cs3)C2)cc1 858431365 VZIDKWHGWICQQH-KGLIPLIRSA-N 317.458 3.390 10 10 DGCE CC[C@H](NC(=O)N[C@H](C)c1ccccc1O)[C@@H]1CCCCO1 868754254 HLIQCOPCJIGJTJ-INWMFGNUSA-N 306.406 3.100 10 10 DGCE C[C@H](N[C@H](C1CCC1)[C@@H]1CCOC1)c1cc([N+](=O)[O-])ccc1O 866513024 RHGPUTCRVCPLKH-XTQGRXLLSA-N 320.389 3.156 10 10 DGCE Cc1cc(Cl)cc([C@H](C)N[C@@H]2[C@H]3C[C@@H]4CO[C@H]2[C@H]4C3)c1O 866446044 OEFISODGUZYHMV-DSRNCREKSA-N 307.821 3.428 10 10 DGCE Oc1cc2c(cc1CN1[C@H]3CC[C@H]1c1ccccc13)[C@H](O)CO2 768447666 RPRPRMPVPNWPGD-XYJFISCASA-N 309.365 3.210 10 10 DGCE CCC[C@@H]([C@H](N)c1ccccc1O)N(C)C(=O)OC(C)(C)C 1958142391 GCFKGNOKEAZAAY-DZGCQCFKSA-N 308.422 3.428 10 10 DGCE COc1cc(Br)cc([C@H](C)NC2(C)CC2)c1O 1118387031 LDAFLWGFKPHGAY-QMMMGPOBSA-N 300.196 3.366 10 10 DGCE CC(C)Oc1cccc(CC(=O)N2Cc3cccc(O)c3C2)c1 871201168 RAYJWWVRACKQMK-UHFFFAOYSA-N 311.381 3.264 10 10 DGCE Cc1cc(Br)c(O)c(CNCc2ccn(C)c2)c1 781632108 GQTJMIKVATUPBG-UHFFFAOYSA-N 309.207 3.091 10 10 DGCE C[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@@H]2CCCC[C@@H]12 1136200044 OYTOETMEQXMUFH-VHDGCEQUSA-N 303.402 3.068 10 10 DGCE CCc1ccc(/C=C2/SC(=S)N(CCOC)C2=O)cc1 96505553 DWUGAWNLTMGQLR-JLHYYAGUSA-N 307.440 3.097 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)Cc2ccccc2Br)C1 692455838 HGPUOGAOMQXJMG-NSHDSACASA-N 323.194 3.293 10 10 DGCE COc1ccc(CNC[C@H](C)NC(=O)[C@@H]2CCC2(C)C)cc1C 1321955975 KQMLLULFZBJKNJ-HOCLYGCPSA-N 318.461 3.034 10 10 DGCE C/C(=C\c1cccnc1)C(=O)N1C[C@H](C)C(=O)Nc2ccccc21 1360533735 JFCWAOHUTXCKDC-UELRPHRMSA-N 321.380 3.106 10 10 DGCE Oc1cc(Cl)ccc1CN[C@H]1CCOC[C@@H]1C(F)(F)F 1916610270 RHEQCLHNDQZVJB-QWRGUYRKSA-N 309.715 3.103 10 10 DGCE CCNCc1ccc(N2CC(F)(F)C2)c(Br)c1 1917005574 VCWHLQQBCYLRKZ-UHFFFAOYSA-N 305.166 3.014 10 10 DGCE CCC(=CC(=O)N(C)CCNCc1ccc(OC)c(C)c1)CC 1714695065 CLQXKNDQATWPHG-UHFFFAOYSA-N 318.461 3.298 10 10 DGCE Cc1ccc([C@H](C)N(C)C(=O)Cc2ccc(O)c(O)c2)c(C)c1 1629737778 OIYUUJAOZSWUKS-AWEZNQCLSA-N 313.397 3.477 10 10 DGCE CCN[C@@H](c1ccccc1O)C1(NC(=O)OC(C)(C)C)CC1 1928469000 CKDTWKOWHUMRSI-AWEZNQCLSA-N 306.406 3.100 10 10 DGCE C[C@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)[C@@H](C)C(C)(C)C 1633817799 BAIZIOLPABGBRV-FRRDWIJNSA-N 307.434 3.463 10 10 DGCE CC(C)(C)OC(=O)N1CCCCCC[C@@H]1[C@H]1CCC(=O)C1=O 1932573410 JOTBQPIZQADJKX-CHWSQXEVSA-N 309.406 3.104 10 10 DGCE Cc1cc(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)no1 1596483089 RPBHBOLGNVKMGW-UHFFFAOYSA-N 309.369 3.321 10 10 DGCE CCN1N=C(c2ccc(OC)cc2)/C(=C\c2ccc(O)cc2)C1=O 1865658749 REHNUEKPPVXVJY-SFQUDFHCSA-N 322.364 3.051 10 10 DGCE CNCc1ccc(N(C)Cc2ccccn2)cc1Br 234408775 AABFKZXEJYZGBM-UHFFFAOYSA-N 320.234 3.200 10 10 DGCE C[C@H](N[C@H]1CC[C@H]1OCc1ccccc1)c1c(O)cccc1O 1939573708 GQKKJXNQBFGONX-DHSIGJKJSA-N 313.397 3.496 10 10 DGCE CN[C@H]1C(=O)Nc2cc(N(Cc3ccccc3)CC3CC3)ccc21 1946900310 TUCIGYPJEBVRAO-LJQANCHMSA-N 321.424 3.316 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)C1CC(OCc2ccccc2)C1 1976702841 BEGUFEDQCFXSLF-PCKAHOCUSA-N 314.389 3.283 10 10 DGCE CN[C@@H](c1ccc(N(C)C)cc1)C1(NC(=O)OC(C)(C)C)CC1 1977946863 YPHLMATUSDKMSM-HNNXBMFYSA-N 319.449 3.070 10 10 DGCE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2ccc(N)cc2)C1 1977969804 FRUGCXJIGALXCX-KGLIPLIRSA-N 319.449 3.398 10 10 DGCE CC[C@@H](C[C@@H](N)c1ccc(N(C)C)cc1)NC(=O)OC(C)(C)C 1977945195 MFDCHAWRTRMNJT-GOEBONIOSA-N 321.465 3.446 10 10 DGCE C[C@H]1C[C@@H](CCNCc2ccc(Br)cc2O)CO1 2041486381 LVIDMXAAWQTLJM-WDEREUQCSA-N 314.223 3.059 10 10 DGCE CC1(C)C[C@@H](CNCc2c(O)cccc2Br)CO1 2041447717 YONJXTJRRBGIQY-JTQLQIEISA-N 314.223 3.059 10 10 DGCE CCN(Cc1cc(Br)ccc1O)[C@@H]1CCCOC1 402708132 BMWIUBSNFIZVCR-CYBMUJFWSA-N 314.223 3.156 10 10 DGCE CO[C@H]1CC(F)(F)CC[C@@H]1NCc1ccc(Cl)cc1O 2162096641 ZLKSSYWDSXXQIZ-AAEUAGOBSA-N 305.752 3.338 10 10 DGCE NCc1ccc(N2CCC(CF)CC2)c(Br)c1 689479648 DAQMMHURDVVBLZ-UHFFFAOYSA-N 301.203 3.094 10 10 DGCE CCCNCc1cc(F)c(N2CC[C@@H](SC)C2)c(F)c1 382944712 JXSLSLALGOYRKS-GFCCVEGCSA-N 300.418 3.406 10 10 DGCE Nc1ncc(F)cc1OCc1ccc(Br)cc1F 723417740 RFJYZUITSPIGJZ-UHFFFAOYSA-N 315.117 3.284 10 10 DGCE C[C@@H](O)c1ccc(N(C)C[C@@H]2C[C@@H]2F)cc1Br 1908985425 HWLOKYUQMPYIOI-ZDMBXUJBSA-N 302.187 3.297 10 10 DGCE CO[C@@H]1CN(c2ccc([C@@H](C)O)cc2Cl)CC(F)(F)C1 2185157684 JJSBPTZIHYYVKF-KOLCDFICSA-N 305.752 3.254 10 10 DGCE CNCc1ccc(N(C)[C@@H]2CC[C@@H]3C[C@H]32)c(Br)c1 2046852467 CLZCOPPKXUUZCM-YRGRVCCFSA-N 309.251 3.403 10 10 DGCE C[C@H](N)c1ccc(N(C)[C@@]2(C)CCOC2)cc1Br 2055447014 ALXWXFVCIOQZNS-HZMBPMFUSA-N 313.239 3.084 10 10 DGCE CCNCc1ccc(N(C)[C@H]2CCOC[C@@H]2F)cc1Cl 2186754449 NEKAKFPJWAURLY-GJZGRUSLSA-N 300.805 3.013 10 10 DGCE Cc1cccc(CNC[C@H]2CC[C@H]2NC(=O)OC(C)(C)C)c1O 2244728388 BUWUTFGTIPFVNK-UKRRQHHQSA-N 320.433 3.094 10 10 DGCE CC(C)(CNC(=O)C=Cc1ccc(O)c(O)c1)c1cccs1 2307987253 NEWQVHVLYCDMLD-UHFFFAOYSA-N 317.410 3.267 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)NC1(c2cccc(F)c2)CC1 2307987866 POXJCSJPXDVVOP-UHFFFAOYSA-N 313.328 3.056 10 10 DGCE CCCOC(=O)c1cccc(N=NN2C[C@H](C)O[C@H](C)C2)c1 2330232969 RCFVSRUKOXVRDH-BETUJISGSA-N 305.378 3.361 10 10 DGCE CCC[C@H](CNCc1ccc(C)c(Br)c1O)OC 2327627641 COGHLNCEQYEFST-GFCCVEGCSA-N 316.239 3.368 10 10 DGCE C[C@@H](NCc1ccc(-n2cncn2)cc1)c1ccc(N(C)C)cc1 178742243 GYKOYVUXMHKFRJ-OAHLLOKOSA-N 321.428 3.184 10 10 DGCE COc1cc(CN2C[C@H](C)O[C@@H](C)C2)c(O)c(C(C)(C)C)c1 125086324 HMJQXMNJHDKZDO-STQMWFEESA-N 307.434 3.308 10 10 DGCE CCN1[C@H]2CC[C@@H]1CN(Cc1cc(Cl)cc(Cl)c1O)C2 2360676799 MIXVPLSIJBKEFJ-BETUJISGSA-N 315.244 3.368 10 10 DGCE COc1nccc(N(C)C)c1NCc1c(O)cccc1Cl 127258931 KPGXONOGSFRYQU-UHFFFAOYSA-N 307.781 3.127 10 10 DGCE Cc1ccc(O)c([C@H](C)NCC(=O)Nc2ccc(F)cc2)c1 185243346 KAYZKHDKSPXSHU-LBPRGKRZSA-N 302.349 3.129 10 10 DGCE Nc1ccc(Cc2ccc(NC(=O)CCCC(=O)O)cc2)cc1 39899765 UNVKYQCOIYQMLG-UHFFFAOYSA-N 312.369 3.053 10 10 DGCE c1cc(N2CCCCC2)ccc1CN[C@@H]1CCc2[nH]ncc2C1 124617750 OGZBAXCELHJSKK-QGZVFWFLSA-N 310.445 3.047 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)N(C)Cc2ccccc2)c1 185861186 RULJQLHEBKPTQX-ZDUSSCGKSA-N 314.385 3.303 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2C(=O)C(C)(C)C(C)(F)F 410535299 RDODDPRNQPQIDK-UHFFFAOYSA-N 312.360 3.159 10 10 DGCE CN[C@H](C)c1ccc(N(C)C[C@H](C)OC)c(Br)c1 384975582 MBOCTPLJHVNCMJ-WDEREUQCSA-N 315.255 3.201 10 10 DGCE COc1cc(Br)cc(CNC2(C(F)F)CC2)c1O 800310725 ILRCWNFVXXSMBF-UHFFFAOYSA-N 322.149 3.051 10 10 DGCE CCN(CC)c1ccc(CNc2nnc(OC)s2)cc1F 806668997 JCDRSKKFQCXDID-UHFFFAOYSA-N 310.398 3.144 10 10 DGCE COc1ccc(N2CC[C@@H](CNC(=O)[C@H](C)CC(C)C)C2)cc1 819589000 PTHQSSBJDWHDAS-CVEARBPZSA-N 318.461 3.320 10 10 DGCE Cc1cccc(-n2c(C)cc(C(=O)N3CCO[C@H]4C[C@H]43)c2C)c1 816898629 FBULMDIEKKDJAQ-MSOLQXFVSA-N 310.397 3.016 10 10 DGCE Cc1ccc([C@H](C)NCc2c3c(nn2C)CCCC3)c(O)c1C 812736537 GYYILFGGZCJJFW-AWEZNQCLSA-N 313.445 3.472 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@@H](CCO)Cc2ccccc2)cc1 835052636 POMASNLZMWJQDP-ZGBFETHSSA-N 324.468 3.349 10 10 DGCE Cc1nn(C)c2ncc(NC/C=C/c3ccc(N(C)C)cc3)cc12 835044200 HFHDMBBYSXSWKO-AATRIKPKSA-N 321.428 3.468 10 10 DGCE OCCC1CN(Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 839135867 JRAGWLFANWBHMF-UHFFFAOYSA-N 322.452 3.064 10 10 DGCE C[C@H](N[C@@H]1CC[C@@H](C)SC1)c1ccc(N2CCOCC2)cc1 848526612 CFNCJTIJEVIVFB-HLLBOEOZSA-N 320.502 3.458 10 10 DGCE COc1cccc(CNC(=O)[C@H]2CCCC[C@H]2C2CC2)c1O 843831893 SIQVVXZESQWRLB-GJZGRUSLSA-N 303.402 3.233 10 10 DGCE CSc1cccnc1NC(=O)NCc1ccc(N(C)C)cc1 844827679 BMVCIGUCPZCETI-UHFFFAOYSA-N 316.430 3.191 10 10 DGCE CCOc1ccc(O)c(CN[C@H](c2ccccc2)[C@H](C)O)c1 850420600 PUCRBIPBKPZWFE-UGSOOPFHSA-N 301.386 3.003 10 10 DGCE CC[C@@H](NC(=O)NCc1c(O)cccc1F)c1c(C)noc1C 921672078 ROWVGVYLEWDSCP-CYBMUJFWSA-N 321.352 3.087 10 10 DGCE C[C@H](C1CC1)n1nccc1NC(=O)NCc1c(O)cccc1F 930919144 HUVRSXOKWBATMH-SNVBAGLBSA-N 318.352 3.021 10 10 DGCE CCOC(=O)CN(Cc1cc(Cl)cc(F)c1O)C1CCC1 768531092 SESGFXCEDSFPFD-UHFFFAOYSA-N 315.772 3.102 10 10 DGCE COc1cc(CN2CCC(c3cccnc3)CC2)c(O)cc1C 768459115 JRRTVDMPTSGYPQ-UHFFFAOYSA-N 312.413 3.484 10 10 DGCE C[C@@H]1C[C@H]([C@H](N)c2ccccc2O)N(C(=O)OC(C)(C)C)C1 1958387611 CKCZCHSJUSXFFZ-UXIGCNINSA-N 306.406 3.038 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CCC(C)(C)O1 1124550032 VXEAFUWASDSGAZ-QGZVFWFLSA-N 316.445 3.203 10 10 DGCE CC(=O)c1cc(F)cc(CN[C@H](c2cccnc2)C2CC2)c1O 782530792 LZXDIFVVXBJACM-KRWDZBQOSA-N 314.360 3.370 10 10 DGCE COc1cc(C)cc(CNC[C@@H]2CCC3(CCC3)CO2)c1O 895807209 QEGAMHBIGGMFTF-HNNXBMFYSA-N 305.418 3.148 10 10 DGCE CCNc1ccc(C)cc1C(=O)NCc1ccc(OC)cc1O 897630368 ZDCDPRMQEQQHKZ-UHFFFAOYSA-N 314.385 3.071 10 10 DGCE COc1ccc(CNCc2cnc(-c3ccccc3)[nH]2)c(O)c1 793387602 IIXAMLCTMLWABP-UHFFFAOYSA-N 309.369 3.081 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)[C@H](C)c1ncccc1F 791389817 XTNWJLDWVWWBEF-CYBMUJFWSA-N 316.376 3.469 10 10 DGCE COCCNCc1cc(CSc2nccs2)cs1 695010564 MFJNJVHSOKFJLV-UHFFFAOYSA-N 300.474 3.233 10 10 DGCE C[C@@H](Sc1ccc(F)cc1)C(=O)NCc1c(O)cccc1O 1156886284 XMORDAUCHFIXNO-SNVBAGLBSA-N 321.373 3.034 10 10 DGCE C[C@H](NC(=O)CCn1cnc2ccccc21)c1ccccc1O 1171729401 BRCQRDFTPNMYJQ-ZDUSSCGKSA-N 309.369 3.009 10 10 DGCE CN(C[C@H](F)C(F)(F)F)c1cc(Cl)c(CN)cc1F 2123179016 PAMVVBOBRXTNOL-JTQLQIEISA-N 302.674 3.274 10 10 DGCE C[C@@]1(CNCc2ccc(Br)cc2O)CCCCO1 1653181039 KCNIQPHCTWVOLN-AWEZNQCLSA-N 314.223 3.204 10 10 DGCE Cc1ccnc(NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)n1 1351588424 MRLYRGVRQGLYQS-UHFFFAOYSA-N 320.396 3.374 10 10 DGCE CC[C@@H](c1cc(Br)ccc1O)N(CCN)C(C)C 1913097701 HUQRYYZKKHIWAH-ZDUSSCGKSA-N 315.255 3.275 10 10 DGCE CN(CC(=O)Nc1ccccn1)c1ccc(-c2nccs2)cc1 1473535564 LQFNXVOLSAINGT-UHFFFAOYSA-N 324.409 3.280 10 10 DGCE CCCCO[C@@H]1C[C@@H](NC(=O)c2ccc(C)c(O)c2O)C1(C)C 1629523461 YIXHBJDCHGEUKT-ZIAGYGMSSA-N 321.417 3.120 10 10 DGCE O=C(CCCc1cc(F)ccc1F)NCc1cc(O)ccc1O 1633598863 FASMRGKGKRGDKD-UHFFFAOYSA-N 321.323 3.015 10 10 DGCE CC(C)C[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)c1ccccc1O 1928475641 ZWAIXAAFKSWJBC-HIFRSBDPSA-N 308.422 3.331 10 10 DGCE CN[C@@H](c1ccccc1O)C(C)(C)N(C)C(=O)OC(C)(C)C 1928470524 FGKNKIMHUSGZQY-AWEZNQCLSA-N 308.422 3.298 10 10 DGCE Cn1c(C(=O)NCc2cc(Cl)ccc2O)cc2ccccc21 1639965189 GSIKLFSPSODUTE-UHFFFAOYSA-N 314.772 3.467 10 10 DGCE O=C(/C=C/c1ccc(O)cc1)NCc1cccc(Cl)c1O 1640404827 IAFBEUFSCWGVPO-RMKNXTFCSA-N 303.745 3.081 10 10 DGCE Cc1ncsc1/C=C/C(=O)N1CCOc2c(F)ccc(F)c21 1586681640 IARVWTBIWBZRNH-SNAWJCMRSA-N 322.336 3.169 10 10 DGCE COc1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc1F 1596301340 MPBJDRZICFEGNY-UHFFFAOYSA-N 316.292 3.249 10 10 DGCE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)CCCN=[N+]=[N-] 1962287671 LOUQTHYRIKOGCV-STQMWFEESA-N 311.430 3.264 10 10 DGCE CC1(C)C[C@H](NC(=O)OC(C)(C)C)CN(CCCN=[N+]=[N-])C1 1962301464 VVVKJPKTAKKBAJ-LBPRGKRZSA-N 311.430 3.312 10 10 DGCE Cc1cc(O)c(CN2CCC(n3cncn3)CC2)cc1C(C)C 152067513 AHBKPUWUKKEQPQ-UHFFFAOYSA-N 314.433 3.253 10 10 DGCE CCCN1C(=O)/C(=C\N(C(C)=O)c2ccccc2)SC1=S 6310963 XKNJFSVIVLKDEB-JLHYYAGUSA-N 320.439 3.151 10 10 DGCE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@@H](N)c2ccccc2O)C1 1938979737 TXQPDOHKMXULDN-XPKDYRNWSA-N 320.433 3.428 10 10 DGCE Oc1cccc(Br)c1CNCc1cc(C2CC2)n[nH]1 1963628547 DHMATFFWSCDHFF-UHFFFAOYSA-N 322.206 3.045 10 10 DGCE COc1ccc(CN[C@H]2CCCC3(CC2)OCCO3)cc1C 1965987471 FJCFPBGDUGSGNA-INIZCTEOSA-N 305.418 3.169 10 10 DGCE C[C@H]1C[C@@H](CNCc2ccccc2O)CN1C(=O)OC(C)(C)C 1967774536 DPJSNRTUONDDOP-KBPBESRZSA-N 320.433 3.127 10 10 DGCE CN(C)c1ccc([C@H](O)[C@@H](NC(=O)OC(C)(C)C)C2CC2)cc1 1977940267 XDPHDPGNNKINAK-HOTGVXAUSA-N 320.433 3.089 10 10 DGCE CCN(CC)c1ccc([C@@H](O)CN(C)C(=O)OC(C)(C)C)cc1 1977933331 DBWMCOBPGQAPFE-INIZCTEOSA-N 322.449 3.433 10 10 DGCE C[C@@H](NC(=O)OC(C)(C)C)[C@H](N)c1ccc(N2CCCC2)cc1 1977946828 YBOBEFFAJVHRFB-CJNGLKHVSA-N 319.449 3.200 10 10 DGCE CCN[C@H](c1ccccc1O)[C@H]1C=CCN1C(=O)OC(C)(C)C 1983476421 SAWYHTDNMBPWQL-GDBMZVCRSA-N 318.417 3.218 10 10 DGCE C[C@H](N[C@@H]1CC[C@@H]1NC(=O)OC(C)(C)C)c1cc(F)ccc1O 1986712594 MIUNNFHJWKODMH-GDLCADMTSA-N 324.396 3.238 10 10 DGCE OCc1ccc(N2CCCC[C@@H]2CF)cc1Br 2004451159 KFRLNMARGCKJMV-GFCCVEGCSA-N 302.187 3.270 10 10 DGCE C[C@H](CN(C)Cc1c(O)cccc1Br)C(F)F 2012204454 XPPQXVXRXHMVCG-MRVPVSSYSA-N 308.166 3.488 10 10 DGCE Oc1cc(F)ccc1CNCc1cnc(Br)s1 2024887338 BWSNGPBNJUUJFS-UHFFFAOYSA-N 317.183 3.040 10 10 DGCE C[C@H]1C[C@@]1(F)CN(C)c1ccc(CO)cc1Br 2025731823 MJNWDZWFQMEKPQ-TVQRCGJNSA-N 302.187 3.126 10 10 DGCE C[C@H]1CCN(c2cc(Br)c(CN)cc2F)C[C@H]1F 2034816681 VQQLUPPBVLFELZ-QPUJVOFHSA-N 319.193 3.231 10 10 DGCE CCN(C[C@@H](C)OC)c1ccc([C@@H](C)N)cc1Br 383234733 RRCGHYVSZYYAAJ-GHMZBOCLSA-N 315.255 3.330 10 10 DGCE C[C@@H](c1cc(Br)ccc1O)N1CCOC[C@H](C)C1 399495171 JFLFEDOKDCOPIG-MNOVXSKESA-N 314.223 3.184 10 10 DGCE CCCN[C@]1(C(=O)O)CCC[C@@H](Sc2nccs2)[C@H]1C 2175812149 XSTGMHXGDSZRNM-JTNHKYCSSA-N 314.476 3.247 10 10 DGCE CC(C)(C)OC(=O)c1cnn(-c2ccc(O)c(O)c2)c1C1CC1 2069778999 OWAFDMNMKOIVQE-UHFFFAOYSA-N 316.357 3.116 10 10 DGCE CCNCc1cc(F)c(N(CC)[C@@H]2CCSC2)c(F)c1 2170129265 FIXGZQKPOUPWQL-GFCCVEGCSA-N 300.418 3.406 10 10 DGCE CN1CC[C@H]2[C@@H]1CCCN2Cc1cc(Cl)cc(Cl)c1O 2183737206 ZEOJPIGIFDCUPN-KBPBESRZSA-N 315.244 3.368 10 10 DGCE C[C@@H]1CCOCC[C@@H]1NCc1cc(Br)ccc1O 2046731212 MVNGANXLPMBYJK-MFKMUULPSA-N 314.223 3.059 10 10 DGCE CC[C@@H](N)CN(C)[C@H](CC)c1cc(Br)ccc1O 2053082576 FVHPXZHYEDYKMF-DGCLKSJQSA-N 315.255 3.275 10 10 DGCE N=C(NO)c1cc(F)c(Sc2nccs2)cc1Cl 2057254058 GICJDJBPUIMRAM-UHFFFAOYSA-N 303.771 3.391 10 10 DGCE CO[C@@H](C)CCN(C)c1ccc([C@H](C)O)cc1Br 2059358921 JBHFPZLSFMKZTM-QWRGUYRKSA-N 316.239 3.364 10 10 DGCE Nc1cccc(Br)c1N[C@@H]1CCCn2ccnc21 2074869645 CZEAXROAKZAVSC-LLVKDONJSA-N 307.195 3.175 10 10 DGCE CCCn1nc(Br)cc1NCc1ccc(N)cc1 2217598672 NDYDWAOFXUOJNK-UHFFFAOYSA-N 309.211 3.250 10 10 DGCE Cc1ccc(O)c([C@@H](C)Nc2cscc2S(C)(=O)=O)c1 2288487385 VVXALBRZLVOOIL-SNVBAGLBSA-N 311.428 3.339 10 10 DGCE Cc1ccc(O)c([C@@H](C)NC[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)c1 2296976389 YQNVNHPQTMDWBZ-VNHYZAJKSA-N 320.433 3.264 10 10 DGCE COc1ccc(Cl)cc1N(C)C(=O)C=Cc1cccnc1 2297573228 XOWITURIOGZANA-UHFFFAOYSA-N 302.761 3.420 10 10 DGCE CC1=NN(c2ccccc2)C(=O)[C@@H]1N=Nc1cccc(C(=O)O)c1 2297736463 RMRJNBMFMDQSGD-OAHLLOKOSA-N 322.324 3.260 10 10 DGCE CN(C)c1ccc(N=Nc2c(CC(=O)O)nc3ccccn23)cc1 2320767946 RQHWWOTXQZXDSZ-UHFFFAOYSA-N 323.356 3.443 10 10 DGCE Cc1ccc(C=C2SC(=S)N(CCCCCO)C2=O)cc1 2323791842 RLUGXYPIAOGHTB-UHFFFAOYSA-N 321.467 3.359 10 10 DGCE CC[C@H](CN(C)Cc1ccc(C)c(Br)c1O)OC 2327572419 VANIUDQNCYUDIF-GFCCVEGCSA-N 316.239 3.320 10 10 DGCE CCC[C@H](COC)NCc1ccc(C)c(Br)c1O 2327623411 HGGFINDOAIFXBS-GFCCVEGCSA-N 316.239 3.368 10 10 DGCE C[C@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CCCC1 172195717 PHVWLNFZSYJNOV-AWEZNQCLSA-N 303.450 3.473 10 10 DGCE Cc1csc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)n1 117383962 ZDAYICZAUJVKHN-CQSZACIVSA-N 317.458 3.139 10 10 DGCE CCN([C@H]1CCOC1)[C@H](C)c1cc(Br)ccc1O 311181906 ZAZIEUUGBOEZIX-PWSUYJOCSA-N 314.223 3.327 10 10 DGCE Cc1nn(C)c(C)c1C[C@H](C)N[C@@H](C)c1cc(F)ccc1O 185560038 MZWGWLUOXWTRQT-QWRGUYRKSA-N 305.397 3.163 10 10 DGCE CCN(CC)c1ccc(CN[C@@H](COC)C2CCOCC2)cc1 187795622 LAJJMGJIEHJGHT-IBGZPJMESA-N 320.477 3.064 10 10 DGCE CCOc1cc(O)ccc1NS(=O)(=O)/C=C/c1ccccc1 189423326 DNNMUARUTNNDET-ZHACJKMWSA-N 319.382 3.204 10 10 DGCE CN[C@H](C)c1ccc(N2CCN(CC3CC3)CC2)cc1Cl 78905602 BTENJNUDWQKACX-CYBMUJFWSA-N 307.869 3.152 10 10 DGCE C[C@H]1C[C@@H](C(=O)NCCc2ccc(O)c(O)c2)CC(C)(C)C1 184232230 VCRYSRCMMNODQU-GXTWGEPZSA-N 305.418 3.219 10 10 DGCE CN(Cc1ccc(Cl)s1)c1ccc2c(c1)N(C)C(=O)[C@H]2N 131361427 VZYZPFZPEFVCEG-AWEZNQCLSA-N 321.833 3.014 10 10 DGCE Oc1cccc(Cl)c1CNc1cnn(C[C@H]2CCCO2)c1 83552364 GYYOETMTDZMIOJ-GFCCVEGCSA-N 307.781 3.033 10 10 DGCE Cc1nn(C)c(C)c1/C=C\C(=O)N1CCSc2ccccc21 96603327 IGHPQYNCJMMTGX-HJWRWDBZSA-N 313.426 3.189 10 10 DGCE Cc1cc(O)c(CN[C@H](C)c2nnc3n2CCCCC3)cc1C 363168010 SFIWRGWWCRKMBR-CQSZACIVSA-N 314.433 3.178 10 10 DGCE CCN1CCc2cc([C@H](NC)[C@H]3CSCCS3)ccc21 2163073479 JPHWVXUYCUIHSS-CVEARBPZSA-N 308.516 3.178 10 10 DGCE O=[N+]([O-])c1cc(CN[C@@H]2CC23CC3)ccc1N1CCCCC1 818229051 KDGBPIDNMQFOLU-MRXNPFEDSA-N 301.390 3.227 10 10 DGCE CN1CCN(c2ccc(CNc3cccc(C4CC4)n3)cc2)CC1 815143640 MWZPKRJFTZIMMG-UHFFFAOYSA-N 322.456 3.323 10 10 DGCE CC[C@@H](COCC1CC1)NCc1cc(Cl)cc(F)c1O 826866835 FPFSHFJPDBAKEJ-ZDUSSCGKSA-N 301.789 3.480 10 10 DGCE C[C@H]1CN(Cc2cc(Cl)cc(F)c2O)C[C@](C)(C(F)F)O1 827955365 FXQACTMZSDIDTK-RMLUDKJBSA-N 323.742 3.429 10 10 DGCE COc1cccc(CNC2CCC(OC(F)F)CC2)c1O 825144436 NJMABFCHKLGLOF-UHFFFAOYSA-N 301.333 3.041 10 10 DGCE Nc1ccc(CCNCc2ncc(C(F)(F)F)s2)cc1 841039093 ZVZQCQMKBFEHDY-UHFFFAOYSA-N 301.337 3.076 10 10 DGCE Cc1cc(N(C)C)ccc1CNCC1(CO)CC2(CCC2)C1 840940475 ANMBKNPIIPFFTF-UHFFFAOYSA-N 302.462 3.093 10 10 DGCE Oc1cccc2c1[C@H](N[C@H]1CCN(c3ccc(F)cc3)C1)CC2 840899139 ZHXCXVGOKGNZED-DOTOQJQBSA-N 312.388 3.387 10 10 DGCE Cc1ccc([C@H](C)NC[C@@H](C)N2C[C@H](C)O[C@H](C)C2)c(O)c1C 848556981 DXGPFXIWGBCCQJ-AIANPOQGSA-N 320.477 3.157 10 10 DGCE CCOC(=O)C1=CC[C@@H](N[C@H](C)c2ccc(Cl)cc2O)C1 858508361 MYYYXYHXWLLBBS-ZWNOBZJWSA-N 309.793 3.348 10 10 DGCE CO[C@H](CN(Cc1ccccc1O)C[C@H]1CCCO1)C1CCC1 851840423 GPXVWIZPXBQFAS-IEBWSBKVSA-N 319.445 3.188 10 10 DGCE Cc1ccc(NS(=O)(=O)c2cc(F)cc(F)c2O)c(C)c1 753022522 XUWABXNWHBOCDK-UHFFFAOYSA-N 313.325 3.088 10 10 DGCE CCOc1cccc(CNCc2c(C3CCC3)cnn2C)c1O 850391796 ZXDDEZFFXXAETG-UHFFFAOYSA-N 315.417 3.082 10 10 DGCE CSCc1cc(F)ccc1CNC(=O)c1cc(O)cs1 755859212 CGUMPTHLLVKIHK-UHFFFAOYSA-N 311.403 3.386 10 10 DGCE COc1cccc([C@H](C)NC2CCC(C)(N3CCC3)CC2)c1O 927039303 UIUSMYPQAHTDKK-XVTSOASTSA-N 318.461 3.458 10 10 DGCE C[C@@H](O)c1ccc(N(Cc2ccc(N(C)C)cc2)C2CC2)nc1 865456327 IHESSBJEODFZMJ-CQSZACIVSA-N 311.429 3.370 10 10 DGCE C[C@@H](NC(=S)N1Cc2cccc(O)c2C1)c1cccs1 865258364 DGRAZXUPEWXEQE-SNVBAGLBSA-N 304.440 3.405 10 10 DGCE CC[C@H](NC[C@H]1CCC2(CCOCC2)O1)c1ccccc1O 878362505 BDQDOQCABBQYKO-ZBFHGGJFSA-N 305.418 3.161 10 10 DGCE CCCN(Cc1ncc(COC)s1)Cc1ccccc1O 775667302 IAKJDBWJWNLTMK-UHFFFAOYSA-N 306.431 3.407 10 10 DGCE C[C@@H](N)c1ccc(N2CC[C@@H](CF)C2)cc1Br 711515140 SXZDIDGSJOUUEP-ZJUUUORDSA-N 301.203 3.265 10 10 DGCE CN(C)c1ccc([C@@]2(C)C(=O)CCN2Cc2ccccc2)cc1 712064814 QZMGDRJZGVYOSN-FQEVSTJZSA-N 308.425 3.443 10 10 DGCE Cc1cc(C)c(O)c(CN2C[C@@H](C(F)(F)F)OC[C@H]2C)c1 795689838 GOTXJUATXSPTBY-YPMHNXCESA-N 303.324 3.161 10 10 DGCE Cc1ccc(O)c(CNC(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@H]32)c1 1312332459 NHVYCTNUJRZSJU-QXAKKESOSA-N 322.408 3.228 10 10 DGCE CCCN(c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-])C(C)C 1163605098 HNHNOSTZMOVVQI-VQHVLOKHSA-N 306.362 3.406 10 10 DGCE O=S(=O)(Nc1ccc(O)cc1Cl)[C@@H]1CCCC[C@@H]1F 2118891110 BPBJWFPWXPUJER-CMPLNLGQSA-N 307.774 3.068 10 10 DGCE CC(C)CNCc1cnc(S[C@H]2CCC[C@H](O)C2)s1 2133407567 HKYHVILNFRNPSZ-RYUDHWBXSA-N 300.493 3.284 10 10 DGCE COC1(C(F)(F)CNCc2cc(Cl)ccc2O)CCC1 1912520906 JXJFUJPWPFUDIG-UHFFFAOYSA-N 305.752 3.340 10 10 DGCE CC(C)(NC(=O)Cc1ccc(O)c(O)c1)c1cccc(Cl)c1 1444524457 KPHHGGROGPAEBD-UHFFFAOYSA-N 319.788 3.345 10 10 DGCE C/C(=C/c1cccnc1)C(=O)N1C[C@H](C)C(=O)Nc2ccccc21 1360533736 JFCWAOHUTXCKDC-ZVHGMHCTSA-N 321.380 3.106 10 10 DGCE O=C(NC1(Cc2cccc(F)c2)CCC1)c1cccc(O)c1O 1467299802 OCPZLBBJSAHNDD-UHFFFAOYSA-N 315.344 3.132 10 10 DGCE Cc1cc(CC(=O)NOC(C)(C)C)c(C)n1-c1ccccc1 1611059140 LBFADNFORPEZIL-UHFFFAOYSA-N 300.402 3.483 10 10 DGCE CC(=O)c1cc(F)cc(CN2C[C@@H](F)C[C@H]2C(F)(F)F)c1O 1620677341 OKQFOCNDFLRXCD-JQWIXIFHSA-N 323.261 3.209 10 10 DGCE Cc1cccc2[nH]cc(CC(=O)NCc3c(O)cccc3F)c12 1638864080 UJLOWAJSSPCYGJ-UHFFFAOYSA-N 312.344 3.180 10 10 DGCE CC(C)(C)OC(=O)N[C@H]([C@@H](N)c1ccccc1O)C(C)(C)C 1928475769 BGFLCXVBLAERCQ-UONOGXRCSA-N 308.422 3.331 10 10 DGCE Cc1[nH]c2c(C(=O)NCc3ccc(O)cc3O)cccc2c1C 1570462269 LWHHVXYYINAYFW-UHFFFAOYSA-N 310.353 3.126 10 10 DGCE CN(Cc1ccncc1Br)c1ccc2c(c1)OCO2 1657830387 QZYCWIQWGJBWBT-UHFFFAOYSA-N 321.174 3.209 10 10 DGCE O=C(CCSc1ccccc1)NCc1c(O)cccc1F 1652295224 DCAKMRPSLPZTPL-UHFFFAOYSA-N 305.374 3.330 10 10 DGCE COc1ccc(CNC[C@@H](C)N(C)C(=O)CC(C)(C)C)cc1C 1666855176 XHDNQMFKMKSJTP-OAHLLOKOSA-N 320.477 3.376 10 10 DGCE Oc1c(F)cccc1CN[C@H]1CC[C@H]1OCc1ccccc1 1934907033 XXQANOKCLXCVEI-DLBZAZTESA-N 301.361 3.369 10 10 DGCE C[C@@H]1[C@@H]([C@H](N)c2ccccc2O)CCCN1C(=O)OC(C)(C)C 1936987529 SRFXWFDKULSJSZ-WWGRRREGSA-N 320.433 3.428 10 10 DGCE C[C@@H]1CSCCCN1c1ccc(CN)cc1Br 1940236263 NVYGRZFXOOAUSF-SNVBAGLBSA-N 315.280 3.240 10 10 DGCE OC[C@@H]1[C@H]2CCN(c3ccc(OCc4ccccc4)cc3)C[C@H]21 1899864874 ISSYWGKHKKWQSZ-XUVXKRRUSA-N 309.409 3.330 10 10 DGCE CC[C@@H](NCc1cncnc1)c1cc(Br)ccc1O 1964473910 GKUJHHOXXSJODB-CYBMUJFWSA-N 322.206 3.186 10 10 DGCE COc1nscc1-c1csc(Cc2ccc(N)cc2)n1 2148826388 JOFNKNAVYFLUKJ-UHFFFAOYSA-N 303.412 3.448 10 10 DGCE Oc1cccc(F)c1CNCc1ccn(Cc2ccccc2)n1 1976860921 OZDREEXBCYOSHC-UHFFFAOYSA-N 311.360 3.066 10 10 DGCE CO[C@@H]1CN(c2ccc(CNC(C)C)c(Cl)c2)C[C@@H]1F 2146480034 WEUBXSMASWHOPX-LSDHHAIUSA-N 300.805 3.011 10 10 DGCE C[C@H](CN(C)C(=O)OC(C)(C)C)[C@H](O)c1ccc(N(C)C)cc1 1977937610 COXLJNIIOXRYSV-CJNGLKHVSA-N 322.449 3.289 10 10 DGCE CN(CC[C@](C)(O)c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C 1980079825 NKXAJQCJXQPGQL-SFHVURJKSA-N 322.449 3.217 10 10 DGCE CC1(C)CN(c2ccc(CN)cc2C(F)(F)F)CCS1 158937986 PMACFZCJPVKMOA-UHFFFAOYSA-N 304.381 3.496 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1CCN2CCC[C@H]12 37168885 QHYOYUDJKMDPJK-CHWSQXEVSA-N 301.217 3.025 10 10 DGCE C[C@H](O)c1ccc(N2CCn3ncc(Cl)c3C2)cc1Cl 2154039454 YHVACYSSZOTMKZ-VIFPVBQESA-N 312.200 3.263 10 10 DGCE CNCc1ccc(N(C)C2[C@H]3CCC[C@H]23)c(Br)c1 2033873208 DWQPVDFITQHUEP-RYUDHWBXSA-N 309.251 3.403 10 10 DGCE CNCc1ccc(N2CC[C@@H](C3CC3)C2)cc1Br 400263779 ZYYMJQYLCBBOSU-CYBMUJFWSA-N 309.251 3.405 10 10 DGCE CN(c1ccc(CN)cc1C(F)(F)F)C1CCSCC1 403702570 KGUKTRPBNARGEC-UHFFFAOYSA-N 304.381 3.496 10 10 DGCE COc1cc(Cl)cc(CNCc2sc(C)nc2C)c1O 313600466 VULNEQWMEHULPR-UHFFFAOYSA-N 312.822 3.417 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1CCc2nccn2C1 362897610 UCYCFEQDXIGLSN-LLVKDONJSA-N 312.200 3.000 10 10 DGCE C[C@@]1(O)C[C@H]2C[C@H]1C[C@H]2NCc1cc(Cl)cc(Cl)c1O 2178198200 RADPVPUGBZBTTD-FMBSFYNOSA-N 316.228 3.338 10 10 DGCE Oc1c(F)cc(Br)cc1CN[C@H]1CC12CCC2 715793991 YINZHTDSFILBJD-NSHDSACASA-N 300.171 3.326 10 10 DGCE CC1(C)CO[C@@H](CNCc2c(O)cccc2Br)C1 717608263 MCSYUHPHXHNWMQ-SNVBAGLBSA-N 314.223 3.059 10 10 DGCE CNCc1cc(C(C)C)nn1[C@H](C)c1cc(OC)ccc1O 2070173524 MHFAINMIACSAPK-GFCCVEGCSA-N 303.406 3.049 10 10 DGCE CCc1nn(Cc2ccc(Cl)cc2O)c(N)c1C1(C)CC1 2079685547 PNUACUHFEGGLNY-UHFFFAOYSA-N 305.809 3.487 10 10 DGCE Cc1cc(O)c([C@@H](n2nc(C)c(CO)c2N)C(C)(C)C)cc1C 2079938819 HOZPBJNANYPRFS-MRXNPFEDSA-N 317.433 3.224 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)c2csc(C(F)F)n2)CC1 2188739321 MHRBKWZKLHYHTI-SSDOTTSWSA-N 301.322 3.386 10 10 DGCE CN(C)c1ccc(Cn2c(S)nc3c2CCSC3)cc1 2198284392 PSSPGWUJRXNNIN-UHFFFAOYSA-N 305.472 3.075 10 10 DGCE C[C@H]1C[C@H]1CS(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1 2046139227 ZEFRSHDMVFOXKU-BQBZGAKWSA-N 310.202 3.097 10 10 DGCE CN(C[C@H]1[C@H]2CCC[C@H]21)c1ccc(CN)cc1Br 2048407728 KAAPNJUAVUMHMN-CLLJXQQHSA-N 309.251 3.390 10 10 DGCE C[C@@H](O)c1ccc(N(C)[C@]2(C)CCOC2)c(Br)c1 2055448143 JQEYRWSZWGQBNQ-QMTHXVAHSA-N 314.223 3.118 10 10 DGCE NCc1ccc(N2CC[C@]23C[C@@H](CF)C3)c(Br)c1 2061886322 SIKBXIDGFVOQDK-YEORSEQZSA-N 313.214 3.236 10 10 DGCE NC[C@@]12CCC[C@H]1CCN2Cc1cc(Cl)cc(Cl)c1O 2197337522 BKOVHVIQOQDGQY-NHYWBVRUSA-N 315.244 3.402 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@H]1NC(=O)NCCCOCc1ccccc1 2210533805 GJQATIYXHHLJDH-CABCVRRESA-N 317.393 3.124 10 10 DGCE CNCc1ccc(N(C)[C@@H]2[C@@H]3C[C@H]3[C@H]3C[C@H]32)c(Br)c1 2110320836 ZBCOCJXDDKUJTM-FSPSUXSGSA-N 321.262 3.259 10 10 DGCE C[C@H]1C[C@@H](CN)CCN1Cc1cc(Cl)cc(Cl)c1O 2091833063 HGDQVAZYHDUAMX-UWVGGRQHSA-N 303.233 3.258 10 10 DGCE Oc1cc(Br)ccc1CNC[C@@H](F)C1CCC1 2215291849 RHCBDKBENYZRNY-GFCCVEGCSA-N 302.187 3.383 10 10 DGCE COc1ccc([C@@H](C)Nc2cnncc2Br)c(O)c1 2278764757 OVTLNADYOVGTES-MRVPVSSYSA-N 324.178 3.126 10 10 DGCE CC=C(CC)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 2311350151 AEBWUFJJUCXLTA-UHFFFAOYSA-N 302.418 3.137 10 10 DGCE CS[C@@H]1CC[C@H]1NCc1ccc(C)c(Br)c1O 2307479506 JGZUADCSZGDJQG-GHMZBOCLSA-N 316.264 3.447 10 10 DGCE Cc1ncc(CNCc2ccc(C)c(Br)c2O)o1 2327624493 RQZRNAXOZUKISP-UHFFFAOYSA-N 311.179 3.049 10 10 DGCE Cc1ccc(CN2CC(C)(C)CC2=O)c(O)c1Br 2327610122 RTIDLHWEPKUTCK-UHFFFAOYSA-N 312.207 3.222 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@H]1C[C@@H]2CC[C@H]1O2 2330011475 QOLXIBQSFYSPBG-YDEJPDAXSA-N 302.201 3.356 10 10 DGCE CSc1ncc(CN[C@](C)(CC(C)(C)C)C(=O)O)s1 2350662104 YGPFWQRDDLZEJT-CYBMUJFWSA-N 302.465 3.234 10 10 DGCE Cc1cc2c(n1-c1ccc(Br)cn1)CCC[C@H]2N 41729326 ILMJRSHBKANDPZ-GFCCVEGCSA-N 306.207 3.279 10 10 DGCE Cc1ccc([C@@H](C)Nc2ccc(S(C)(=O)=O)cc2)c(O)c1 20564686 APERRPLAHHOVTJ-GFCCVEGCSA-N 305.399 3.277 10 10 DGCE CSC1CCN(c2ccc(CN)cc2Br)CC1 305977193 MCCXXNBDFKBPEL-UHFFFAOYSA-N 315.280 3.240 10 10 DGCE CCc1cc(C(=O)NCc2ccc(N(CC)CC)cc2)no1 1357724018 DPYWPCBYPKHCSM-UHFFFAOYSA-N 301.390 3.013 10 10 DGCE COc1ccc(N2CCN([C@H](C)c3ccncc3)CC2)c(F)c1 71702689 DDKBRFDCGYKTFB-CQSZACIVSA-N 315.392 3.113 10 10 DGCE O=S(=O)(CCCC(F)(F)F)Nc1ccc(O)cc1Cl 213849790 JUECNUBAASDUQF-UHFFFAOYSA-N 317.716 3.130 10 10 DGCE C[C@@H](N)c1ccc(N2CC[C@@]3(O)CCCC[C@@H]3C2)cc1Cl 220300130 MYPCNZHBZWTIRW-XNJGSVPQSA-N 308.853 3.491 10 10 DGCE Cc1cccc(C(=O)N2CCc3cc(N4CCOCC4)ccc32)c1 41121933 SNJSKBKOPJZLDG-UHFFFAOYSA-N 322.408 3.035 10 10 DGCE Cc1csc([C@@H]2COCCN2Cc2cc(Cl)ccc2O)n1 190412590 VCSSTHCQKSANHX-ZDUSSCGKSA-N 324.833 3.384 10 10 DGCE O=C1N[C@H](c2cc(Cl)c3ccccc3c2O)N2CCCC[C@@H]12 91516404 MIYSOTRUHSOVJK-HOCLYGCPSA-N 316.788 3.182 10 10 DGCE CCN[C@@H]1CCN(c2cc(Cl)c(OC)cc2OC)C[C@H]1C 250771477 ZLPYZPINANEQDW-DGCLKSJQSA-N 312.841 3.182 10 10 DGCE Cc1cc(O)c(CNCCc2c(C)nn(C)c2C)cc1Cl 825070622 ILXQENCIFKFLMG-UHFFFAOYSA-N 307.825 3.037 10 10 DGCE Cc1cc(N(C)C)ccc1CNCC1(O)CCC(F)(F)CC1 827648962 FSGXYDJDIIONGA-UHFFFAOYSA-N 312.404 3.091 10 10 DGCE COc1ccc(O)c([C@H](C)NCc2c(C)cc(CO)cc2C)c1 903308500 QLZFRRXYNRDIKI-AWEZNQCLSA-N 315.413 3.361 10 10 DGCE Nc1ccc(Cn2ccc3c2CCN=C3c2cccc(N)c2)cc1 821283199 CUXUSHKSMDVSED-UHFFFAOYSA-N 316.408 3.094 10 10 DGCE NC(=O)[C@@H]1CCC[C@H](NCc2cc(-c3ccccc3)ccc2O)C1 738439834 OIKGEIWRGVGGSJ-AEFFLSMTSA-N 324.424 3.193 10 10 DGCE CN(C/C=C\c1ccc(N(C)C)cc1)Cc1nccn1C(F)F 835025311 HTCUVASNFQEULR-PLNGDYQASA-N 320.387 3.489 10 10 DGCE C[C@H](NCc1cc(Cl)ccc1O)[C@@H]1C[C@H](C(=O)O)C1(C)C 848640648 TUVUIQIOCSDIQR-TVYUQYBPSA-N 311.809 3.271 10 10 DGCE C/C(=C/c1cccnc1)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 846977671 KRAGWCPKXHOLAN-IKESIWSLSA-N 309.413 3.428 10 10 DGCE Cc1ccc(O)c(CNC(=O)NCCCc2cccc(F)c2)c1 858208392 BBNAJHACBPKJKR-UHFFFAOYSA-N 316.376 3.272 10 10 DGCE FC1(F)C[C@H]1OCCNCc1ccc(N2CCCCC2)cc1 850365470 HRGXPGUCHCTPNS-MRXNPFEDSA-N 310.388 3.191 10 10 DGCE C[C@H](N[C@H]1CO[C@@H](C2CC2)C1)c1cc2c(cc1O)CCCC2 858547090 ISCXTLLYBCPSOG-JOKNJTHLSA-N 301.430 3.489 10 10 DGCE CC(C)(C)O[C@H]1C[C@H](NC(=O)c2cc(O)cs2)C12CCC2 855922786 RDQZIIKQPUVLOY-STQMWFEESA-N 309.431 3.310 10 10 DGCE O=C(/C=C/C1CC1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 754551082 KAUPROUPZNQLIY-JXMROGBWSA-N 317.344 3.367 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)NCC[C@@H]2C[C@H]2C2CC2)c1 924334011 AGKGPTFKYPNVTA-KFNAQCHYSA-N 318.417 3.197 10 10 DGCE Cc1cc(CO)cc(C)c1CNCc1cc(F)cc(F)c1O 922562246 IZSSCSNBQDGQEB-UHFFFAOYSA-N 307.340 3.069 10 10 DGCE C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1O 755516943 WCAWLKQKOFXFBM-ZRDIBKRKSA-N 312.325 3.020 10 10 DGCE Cc1nc(Sc2ncc(C(C)(C)C)s2)nc(N(C)C)n1 768532844 KPQKPCUPDNQGGQ-UHFFFAOYSA-N 309.464 3.151 10 10 DGCE CCCC(=O)NC1CCN(Cc2cc(Cl)cc(C)c2O)CC1 775656592 WWINGYVTSXGQFM-UHFFFAOYSA-N 324.852 3.235 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)N1CCCC12CCC2 770629703 KJVSXVUDLABRQR-UHFFFAOYSA-N 301.434 3.289 10 10 DGCE Cc1cc(O)c(CNC[C@@H]2CC[C@]3(CO[C@@H](C)[C@@H]3C)O2)cc1C 886338257 IXRFSYWWYUQZMS-RIVXBTQJSA-N 319.445 3.071 10 10 DGCE C[C@@H]1C[C@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)CCO1 1124621109 CAZKKVGFEJBIGA-NVXWUHKLSA-N 316.445 3.060 10 10 DGCE COc1ncc(CN(c2ccc(OC)c(F)c2)C(C)C)c(C)n1 799130325 CZOPRTUIICEAEZ-UHFFFAOYSA-N 319.380 3.356 10 10 DGCE CCc1cccc(CNC[C@@H]2CC[C@]3(CO[C@H](C)[C@H]3C)O2)c1O 895823274 ZAVIUZGRQWCSMA-XNWVLMOPSA-N 319.445 3.017 10 10 DGCE C[C@@H](N)c1ccc(N2CC[C@H](CF)C2)c(Br)c1 711513673 ODKWHVIFNPXLSS-NXEZZACHSA-N 301.203 3.265 10 10 DGCE CCN(CC)c1ccc(CN(CCO)Cc2ccc(C)o2)cc1 793366353 RVBGOUIZGGKICQ-UHFFFAOYSA-N 316.445 3.429 10 10 DGCE CN(C)c1ccc(CNC[C@@](C)(O)C2CCCCC2)cc1F 790999490 YHZVGFQNAZAMFP-GOSISDBHSA-N 308.441 3.313 10 10 DGCE C[C@@H]1CN(c2ccc(CO)cc2Cl)C[C@](C)(C(F)F)O1 698789917 YATQSQXNROCNGB-YMTOWFKASA-N 305.752 3.081 10 10 DGCE COc1ccc(CNC(=O)N[C@@H](C)[C@H]2CCC[C@H](C)C2)c(O)c1 1312874547 UABUTYXTCCNAHD-IHRRRGAJSA-N 320.433 3.415 10 10 DGCE O=C(NCc1cccc(Cl)c1O)NC[C@@H]1C[C@H]1C1CCC1 1252136743 RJNUKFOSJZFZQF-STQMWFEESA-N 308.809 3.281 10 10 DGCE CCCN(CCC)c1ccc(CN2C[C@@H](O)C3(CC3)C2)cc1 1338444608 AVVKPDQRRLFJIE-GOSISDBHSA-N 302.462 3.270 10 10 DGCE COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H]2C[C@H]2C)CCCC1 1438172062 RYQIDBWWZILIFI-MLGOLLRUSA-N 312.413 3.053 10 10 DGCE CCN1CCN(C(=O)/C=C\c2cccnc2C)c2ccccc21 1435045720 RJOZEWKRGYWODW-KHPPLWFESA-N 307.397 3.276 10 10 DGCE C/C(=C/C(=O)N(C)c1ccc(F)cc1Cl)c1cnccn1 1461434262 GIXWQWIEDLUPLM-YFHOEESVSA-N 305.740 3.335 10 10 DGCE COc1ccc2c(c1)CCCCN2Cc1cnn(CCF)c1 1473289134 IOTANGHYKZNWDI-UHFFFAOYSA-N 303.381 3.204 10 10 DGCE Cc1nccnc1NC(=O)Cc1cc(C)n(-c2ccccc2)c1C 1628039816 XGZKWTJSUNEREE-UHFFFAOYSA-N 320.396 3.374 10 10 DGCE COc1ccc(CN[C@H](CNC(=O)C(C)(C)C)C2CC2)cc1C 1480057418 JPVCHNJOLXSXDG-MRXNPFEDSA-N 318.461 3.034 10 10 DGCE CCOc1ccc(N(CCCN2CCOC2=O)CC2CC2)cc1 1560069914 HTWKGMMAIWFWFU-UHFFFAOYSA-N 318.417 3.144 10 10 DGCE O=C(NCc1c(O)cccc1O)c1coc(C2CCCCC2)n1 1635846835 CAEUPYFZOUKYPS-UHFFFAOYSA-N 316.357 3.064 10 10 DGCE CN(CCN=[N+]=[N-])[C@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C 1962306067 XOWXTPZGRUKEPI-LBPRGKRZSA-N 311.430 3.264 10 10 DGCE O=C1/C(=C\c2ccc[nH]2)C(C(F)(F)F)=NN1Cc1ccccc1 1865677991 NQIWVLCNWBPXSI-LCYFTJDESA-N 319.286 3.359 10 10 DGCE C[C@@H](NCc1cc(Br)ccc1O)[C@@H]1CCSC1 1942252753 BCORUQYWIBDHOU-NXEZZACHSA-N 316.264 3.386 10 10 DGCE Cc1cc(Cl)nc(Cl)c1NCc1ccc(O)c(O)c1O 235822843 QERGETKHFAZBTF-UHFFFAOYSA-N 315.156 3.426 10 10 DGCE CN(Cc1ccccc1O)Cc1cc(N)ccc1Br 1877522181 BRFMOUVSFWYPSL-UHFFFAOYSA-N 321.218 3.369 10 10 DGCE CNCc1ccc(N2CCS[C@H](C)C2)c(C(F)(F)F)c1 137238384 BCMLUMFHGSFNHN-SNVBAGLBSA-N 304.381 3.367 10 10 DGCE CN(C)c1ccc([C@@H]2CC(=O)CCN2C(=O)OC(C)(C)C)cc1 1951646555 UIJMAFODDZSHQT-INIZCTEOSA-N 318.417 3.394 10 10 DGCE C[C@H](N)c1cnc(Sc2ncccc2Br)s1 1976521431 UQHXAKBLBBFXPO-LURJTMIESA-N 316.249 3.472 10 10 DGCE CS(=O)(=O)c1ccccc1NCc1cccc(Cl)c1O 164988389 YPVRUVFHNJAEBR-UHFFFAOYSA-N 311.790 3.061 10 10 DGCE COCCNCc1cnc(Sc2cc(F)ccc2F)s1 2155334869 RTDUBCDZZXWKHS-UHFFFAOYSA-N 316.398 3.309 10 10 DGCE CNCc1ccc(N2[C@H]3C=CC[C@H]2CC3)cc1Br 2034852263 ZDYPGABQMOPJLT-STQMWFEESA-N 307.235 3.466 10 10 DGCE C[C@@](NCCN=[N+]=[N-])(C(=O)O)c1c(Cl)cccc1Cl 400930997 YTTXOQXAOVOVSL-NSHDSACASA-N 303.149 3.193 10 10 DGCE COc1cc(Cl)cc(CN2CC(F)(F)C(F)(F)C2)c1O 313344446 RQTAHILJLNQZMB-UHFFFAOYSA-N 313.678 3.140 10 10 DGCE CCC[C@H]1COC[C@@H]1NCc1c(O)cccc1Br 706881113 NVXPVOKAJJHNSF-GWCFXTLKSA-N 314.223 3.059 10 10 DGCE CC[C@H]1[C@H](C(=O)O)CCN1Cc1cc(Cl)cc(Cl)c1O 690655488 MHTMXJNQTPMUHZ-PWSUYJOCSA-N 318.200 3.384 10 10 DGCE CCNC(=O)c1cc(C(C)C)nn1[C@@H](C)c1c(O)cccc1F 2070161456 LGBFHVSYJIBCSK-NSHDSACASA-N 319.380 3.210 10 10 DGCE COc1ccc(O)c(Cn2nc(C3(C)CC3)c(C3CC3)c2N)c1 2079773095 ZUCIDJBGCFPJPG-UHFFFAOYSA-N 313.401 3.157 10 10 DGCE Cc1c(C(F)(F)F)nn(Cc2ccc(Cl)cc2O)c1N 2079783919 UTUGGYYQSQSENM-UHFFFAOYSA-N 305.687 3.200 10 10 DGCE CN[C@@H](C)c1ccc(N2CC3(F)CC2C3)cc1Br 2048731343 PIRWBIMXNZBPBY-VOIZVOFFSA-N 313.214 3.420 10 10 DGCE C[C@H]1N(c2ccc(CN)c(Br)c2F)CCC1(F)F 2052005115 FMTSULKFVNTZGD-SSDOTTSWSA-N 323.156 3.281 10 10 DGCE COC[C@@]1(C)CCN1c1ccc([C@@H](C)N)c(Br)c1 2055903650 KRIWMHITPZVMPS-QMTHXVAHSA-N 313.239 3.084 10 10 DGCE CO[C@H](C)CCN(C)c1ccc([C@H](C)N)c(Br)c1 2059359944 QWLJTRCTKUTXBZ-MNOVXSKESA-N 315.255 3.330 10 10 DGCE C[C@H](N)c1cc(F)c(N2CCC(=CBr)C2)c(F)c1 2074215473 UCYPZBUAAZHURE-QMMMGPOBSA-N 317.177 3.473 10 10 DGCE CSc1ncc(CN[C@H](C)c2ccc3c(c2)OCO3)s1 2208457159 VWPJRVPWDMUGSG-SECBINFHSA-N 308.428 3.445 10 10 DGCE Oc1cccc(Br)c1CN[C@@H]1CC2C[C@@H]3C1[C@@H]3C2 2253521679 TUATYAOWPUQQGI-BZGYDUIASA-N 308.219 3.289 10 10 DGCE Cc1cc(N2CCS[C@H](C(F)(F)F)C2)ccc1[C@@H](C)N 2285125335 BRLLMZBMKFSIDN-MFKMUULPSA-N 304.381 3.499 10 10 DGCE Cc1c(C=CC(=O)N2CCCc3cccc(Cl)c32)cnn1C 2304252709 CCIFLWMFFWHFAL-UHFFFAOYSA-N 315.804 3.375 10 10 DGCE Cc1ccc(C=CCC(=O)NCCc2ccc(O)c(O)c2)cc1 2305628484 XLUOXLHTBRNGOP-UHFFFAOYSA-N 311.381 3.168 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)NCC[C@H]1C[C@H]2CC[C@H]1C2 2307986714 VJUFPNWMMBXVOX-KKUMJFAQSA-N 301.386 3.054 10 10 DGCE Cc1cc([C@H]2CN(Cc3ccccc3O)CCO2)ccc1F 179579349 WCDQHODGHVLYFK-GOSISDBHSA-N 301.361 3.413 10 10 DGCE O=C(CCn1c2c(c3ccccc31)CCCC2)O[C@@H]1CCOC1 1849730458 CVWKTMUZCKNXGG-CQSZACIVSA-N 313.397 3.242 10 10 DGCE C[C@H](NC(=O)OC(C)(C)C)[C@@](O)(CN=[N+]=[N-])c1ccccc1 72207857 YNUQPFKZZPQHOM-NHYWBVRUSA-N 306.366 3.098 10 10 DGCE CN(Cc1ccc(N2CCCCC2)cc1)C[C@@H](O)C(F)(F)F 121033341 PPBICIYFWHCEEW-OAHLLOKOSA-N 316.367 3.032 10 10 DGCE CC[C@H](NCc1ccccc1OCCO)c1ccccc1O 185212314 TWYSYTMSKBQPBO-INIZCTEOSA-N 301.386 3.004 10 10 DGCE Cc1ccc(/N=N\c2c(CC(=O)O)nc3c(O)cccn23)cc1 71602121 GAXCUDMRJNBSNA-HNENSFHCSA-N 310.313 3.391 10 10 DGCE O=C1N=C(Nc2ccccc2)S/C1=C\c1ccccc1C(=O)O 33319721 CYOFLNUOICVGOA-UVTDQMKNSA-N 324.361 3.467 10 10 DGCE COc1ccc(O)c(CNc2ccnn2Cc2ccc(C)o2)c1 182627443 MTAZADRVACEFRO-UHFFFAOYSA-N 313.357 3.159 10 10 DGCE C[C@H](N[C@@H]1CCN(CC2CCCC2)C1)c1ccc(F)cc1O 185594908 ANWBMKWCHZKJNL-XJKSGUPXSA-N 306.425 3.446 10 10 DGCE COc1ccc(O)c(CN[C@@H](C)c2ccc(F)cc2N(C)C)c1 89726189 PZZRZKFNQWFKIN-LBPRGKRZSA-N 318.392 3.457 10 10 DGCE C[C@@H]1CN(C(=O)c2cccc(O)c2O)c2cccc(Cl)c2O1 194979664 DSAFEFCTEKYEOW-SECBINFHSA-N 319.744 3.179 10 10 DGCE COc1ccc(N2CC[C@H](N)[C@H](C)[C@H]2C)cc1Br 93036023 CTOQYXRMXQSAHJ-BREBYQMCSA-N 313.239 3.020 10 10 DGCE O=C(NCc1ccc(O)c(O)c1)[C@H]1CC[C@H]1c1ccc(F)cc1 528863803 QPEDJXAGCQKTKM-GJZGRUSLSA-N 315.344 3.047 10 10 DGCE CN(CCCF)c1ccc(/C=C\C(=O)O)cc1Br 714792461 VAPVEPWFKGUJNN-XQRVVYSFSA-N 316.170 3.343 10 10 DGCE O=C(NCc1cccc(Br)c1O)[C@@H]1CC[C@H]2C[C@H]2C1 817596689 MZHIJEXYMMNTIC-UMNHJUIQSA-N 324.218 3.207 10 10 DGCE CCCN(Cc1ccccc1O)Cc1ccnn1-c1ccncc1 824649980 KXFDWHCQYUMTAE-UHFFFAOYSA-N 322.412 3.385 10 10 DGCE c1cc(N2CCCCC2)ccc1CN[C@H]1CO[C@H](C2CC2)C1 825167644 OEKNSFYMDOZOLX-MJGOQNOKSA-N 300.446 3.334 10 10 DGCE C[C@H](NCC1(CF)CCOCC1)c1ccc(Cl)cc1O 841757132 MJIYPOFYPUPEQP-NSHDSACASA-N 301.789 3.463 10 10 DGCE CCN(CC)c1ccc(CN2CCC[C@H]([C@H]3CCCN3)C2)cc1 843044783 JFTAFKNSBIQHNR-AZUAARDMSA-N 315.505 3.497 10 10 DGCE NC[C@]12CC[C@@H]1CN(c1ccc(OCc3ccccc3)cc1)C2 1899853893 YGLSXUFHXZCZPL-XLIONFOSSA-N 308.425 3.441 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@@H]2CCCN3CCCC[C@H]23)cc1 848574127 AAJHLSQTOZKVGQ-IGLJKTCPSA-N 313.489 3.372 10 10 DGCE Oc1cc2c(cc1CN(C[C@@H]1CCCO1)C1CCCC1)OCO2 742166518 OXQQTYYZIQQWAC-HNNXBMFYSA-N 319.401 3.045 10 10 DGCE Nc1ccc(CCNC(=O)NCC2(C3CCC3)CCC2)cc1 841914403 DVUNFUSJPQXQSO-UHFFFAOYSA-N 301.434 3.081 10 10 DGCE C[C@H](N[C@H]1CCCN(C)C1)c1ccc(Cl)c(Cl)c1O 756442613 FLHNXJKSNWTHJS-UWVGGRQHSA-N 303.233 3.444 10 10 DGCE Cn1nc(C(F)(F)F)cc1CNCc1c(O)cccc1Cl 922715636 FTMJQHUEDJUXJT-UHFFFAOYSA-N 319.714 3.088 10 10 DGCE Cc1ccc([C@H](C)N[C@H]2Cc3ccccc3N(C)C2=O)c(O)c1C 850502775 ZHIIKMTWJPDMJA-YOEHRIQHSA-N 324.424 3.247 10 10 DGCE C[C@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccns1 858579944 ZNOFDEUGMHCBHJ-KGLIPLIRSA-N 317.458 3.392 10 10 DGCE Cc1cccc(-c2noc(CN(C)c3ccc4c(c3)OCO4)n2)c1 756655463 VNXHJQXFIZXVAJ-UHFFFAOYSA-N 323.352 3.410 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@H](C)CC3(OC)CCC3)C2)cc1 850489912 XXIAQRVYUOXIKQ-HZPDHXFCSA-N 318.461 3.211 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)C1(C(F)F)CCCC1 935945529 AZHTYNABSPXSAR-UHFFFAOYSA-N 318.360 3.320 10 10 DGCE CCN(CC)c1ccc(CN2C[C@@H]3CCC[C@]3(CO)C2)cc1 862529349 SIQKQKHABQPEFD-PKOBYXMFSA-N 302.462 3.127 10 10 DGCE CC[C@H](C[C@H](C)O)N[C@@H](C)c1ccc(Br)cc1O 866634208 BYSATZOLZVAMKV-JBLDHEPKSA-N 316.239 3.355 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1nc(C(C)C)oc1C 935945554 BUSPKQDJHIXTCP-UHFFFAOYSA-N 323.389 3.228 10 10 DGCE C/C=C\C[C@@H](NCc1c(O)ccc(Cl)c1F)C(=O)OCC 763367325 ZOXVMXRRQJLXAM-KTLBGCOUSA-N 315.772 3.172 10 10 DGCE [N-]=[N+]=NCC1CCN(C(=O)CCOCc2ccccc2)CC1 1958667165 DHUARDOBECCSOJ-UHFFFAOYSA-N 302.378 3.142 10 10 DGCE c1cc(N2CCCC2)ccc1CNC[C@H]1CCN1C1CCCC1 1118805951 MDVFDRMNHYTYRK-HXUWFJFHSA-N 313.489 3.393 10 10 DGCE C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 1125534089 BAAWTQPHJWCBDB-NMFUWQPSSA-N 304.409 3.190 10 10 DGCE C[C@H]1CN(c2ccc(N)cc2)[C@@H](C)CN1C(=O)OC(C)(C)C 1959572376 MHOYZHJILBQLFT-STQMWFEESA-N 305.422 3.103 10 10 DGCE CCNCc1ccc(N2CC[C@H](F)C2)cc1Br 689941614 SATMDPHOXJIKOL-NSHDSACASA-N 301.203 3.107 10 10 DGCE O=C(NCc1cc(O)ccc1O)c1cccc(-c2ccoc2)c1 1303225254 DIPVIIVADWPXQR-UHFFFAOYSA-N 309.321 3.288 10 10 DGCE C[C@H]1C(=O)CC[C@@H]1CC(=O)NCc1c(O)ccc2ccccc12 1179032498 IWMZCHDSDBHQGV-TZMCWYRMSA-N 311.381 3.167 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)C(C)(C)C(F)(F)F 1263703202 MMCOSONDVRHRKR-UHFFFAOYSA-N 302.340 3.300 10 10 DGCE CC[C@@H](O)CN(Cc1ccccc1)c1ccc(CNC)cc1F 1915399550 BIMITOQZXSJWDK-QGZVFWFLSA-N 316.420 3.323 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN(C(=O)c2ccoc2Br)C1 1912211193 TXOQCWXEWGVEED-QMMMGPOBSA-N 313.155 3.205 10 10 DGCE CC[C@@H]1CCN(Cc2ccc(Br)cc2O)CCO1 1913669076 NCTUAOSNYMQTAZ-CYBMUJFWSA-N 314.223 3.156 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H]2c2ccc[nH]2)cc1 1457525195 LADXBTWOUQVFBF-CQSZACIVSA-N 311.345 3.154 10 10 DGCE Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)/C=C\c1cccnc1C)CC2 1526959661 VSBSRCRGKNBCNS-WAYWQWQTSA-N 323.352 3.209 10 10 DGCE COc1ccc(N(C)CCN(C)CCOCC2CCCC2)cc1 1473610388 NXUCPICTBZMDRQ-UHFFFAOYSA-N 320.477 3.270 10 10 DGCE O=C(NCc1c(O)cccc1O)c1cc2c(C3CC3)cccc2[nH]1 1558536148 UOABALHKMBVXSC-UHFFFAOYSA-N 322.364 3.387 10 10 DGCE CC/C(C)=C\C(=O)NC/C=C\CNCc1ccc(OC)c(C)c1 1716291168 LBIHXQIDHVPDQY-OKYPJBATSA-N 316.445 3.122 10 10 DGCE COc1ccc(CNC2(CNC(=O)CCC(C)C)CC2)cc1C 1716675029 WLCSWNIGIAFFEC-UHFFFAOYSA-N 318.461 3.178 10 10 DGCE C[C@@H]1C[C@H](c2ccccc2)N(C(=O)Cc2ccc(O)c(O)c2)C1 1556530034 YRXWMZHGBDIYTE-CZUORRHYSA-N 311.381 3.250 10 10 DGCE CC(C)Oc1cc(C(=O)NCc2cccc(Cl)c2O)ccn1 1648606390 PYWKZVRCESIRHL-UHFFFAOYSA-N 320.776 3.158 10 10 DGCE Cc1ccc(CN(C)C(=O)/C=C\c2ccc(O)c(O)c2)cc1C 1570328337 OWNXWEZDAGHQOH-CLFYSBASSA-N 311.381 3.386 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2cc(Cl)c(Cl)n2C)c1 1641729740 YDPLECIUGVNSDD-UHFFFAOYSA-N 313.184 3.276 10 10 DGCE CC(C)(C)[C@H]1CCN(c2cc3c(cc2Cl)[C@H](N)C(=O)N3)C1 160327873 IYYPUFFANXWSLZ-XPTSAGLGSA-N 307.825 3.164 10 10 DGCE CSC[C@H](C)N(C)c1ccc(CN)cc1Br 167302776 IBRWMSAZQQRUDI-VIFPVBQESA-N 303.269 3.096 10 10 DGCE Nc1ccc(N(C(=O)c2ccc(F)c(F)c2F)C2CC2)cc1 1857926887 HAOWQTGXPAGMLE-UHFFFAOYSA-N 306.287 3.495 10 10 DGCE Cc1ccc(O)c(CNC[C@@H]2CCCN2Cc2ccccc2)c1 237761249 RZRRNKVDVWJWOT-IBGZPJMESA-N 310.441 3.455 10 10 DGCE CN(C)c1ccc(CN[C@@]23C[C@H]2CN(Cc2ccccc2)C3)cc1 1950089299 GBUUTMLZSFMTBV-PZJWPPBQSA-N 321.468 3.117 10 10 DGCE O=C1NC(=S)SC1=Cc1csc(-c2ccsc2)n1 2041466061 OEZABFQGMCLDFW-UHFFFAOYSA-N 310.450 3.360 10 10 DGCE CCNCc1cc(F)c(N(C)C2CC(SC)C2)c(F)c1 707270115 DVVXJUQIUQMWIC-UHFFFAOYSA-N 300.418 3.405 10 10 DGCE Oc1ccc(C(F)(F)F)cc1Cn1nccc1Br 2069912489 DBDMAFLOEYCNNH-UHFFFAOYSA-N 321.096 3.418 10 10 DGCE Cc1cc(CO)ccc1N(C)[C@H]1CS[C@H](C(F)(F)F)C1 2189474519 QJIXNWVMOHBBQO-YPMHNXCESA-N 305.365 3.360 10 10 DGCE CN[C@H](C)c1ccc(N2C[C@H](OC)C[C@@H]2CF)c(Cl)c1 2190233409 VKUPMISHLGLAET-RAIGVLPGSA-N 300.805 3.184 10 10 DGCE C[C@H]1CC[C@@H](CNCc2cccc(Br)c2O)OC1 2053746428 DBNYBKYWBJLWGL-JQWIXIFHSA-N 314.223 3.059 10 10 DGCE CC[C@@H](CN(C)c1ccc([C@@H](C)O)c(Br)c1)OC 2068156608 BGEKHTTUZBGZIM-PWSUYJOCSA-N 316.239 3.364 10 10 DGCE CC[C@@H](CN(C)c1ccc([C@H](C)O)c(Br)c1)OC 2068156607 BGEKHTTUZBGZIM-JQWIXIFHSA-N 316.239 3.364 10 10 DGCE CC[C@H](CN(C)c1ccc([C@H](C)N)cc1Br)OC 2068255421 UZBVQPGLISVRGL-CMPLNLGQSA-N 315.255 3.330 10 10 DGCE COc1ccc(O)c([C@@H](C)Nc2cnncc2Br)c1 2278770209 CJDZPIUUHPGNAL-MRVPVSSYSA-N 324.178 3.126 10 10 DGCE Cc1cc(O)c([C@@H](C)N2CCOC[C@@H]2C(F)F)cc1Cl 2286438405 FXORIVSOJFCKTQ-BXKDBHETSA-N 305.752 3.381 10 10 DGCE CCCN1C(=O)C(=Cc2ccc(N(C)C)cc2)SC1=S 2296676449 GPYZUAGEWSHVQW-UHFFFAOYSA-N 306.456 3.364 10 10 DGCE Cc1ccccc1C=CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 2309813771 YFCSQRXVCKEWKW-AWEZNQCLSA-N 311.381 3.167 10 10 DGCE OCc1ccc(N2C[C@@H]3C[C@H]2C(F)(F)C3)cc1Br 2308477295 ZKSQARFCSUMZHR-PELKAZGASA-N 318.161 3.175 10 10 DGCE COc1ccc(C2=NN(C)C(=O)C2=Cc2ccccc2F)cc1 2332096512 QFJSDVFVQOYXLN-UHFFFAOYSA-N 310.328 3.094 10 10 DGCE CCOc1ccc(C=C2C(=O)N(C)N=C2CC)cc1OCC 2332107074 LMDBHNIOYMUDQG-UHFFFAOYSA-N 302.374 3.105 10 10 DGCE CCN[C@@H](C)c1ccc(N(C)Cc2cnn(C)c2)c(Cl)c1 61696890 JURQZCAWOGGMTH-LBPRGKRZSA-N 306.841 3.380 10 10 DGCE C[C@@H]1CN(c2ccc(OC(F)(F)F)c(Cl)c2)[C@H](C)CN1 401296274 OJACKRLOCHIBGI-RKDXNWHRSA-N 308.731 3.425 10 10 DGCE C[C@@H](NC(=O)/C=C\c1ccc(N2CCOCC2)cc1)C(C)(C)C 210082819 AJNJWEUAGHFYGI-YYRKOSNBSA-N 316.445 3.087 10 10 DGCE COc1cc(Br)cc(CN2C[C@H]3CC[C@H]2C3)c1O 245568785 VWHCVWMWRBKXPU-CABZTGNLSA-N 312.207 3.148 10 10 DGCE CCOc1cccc(CN2CC[C@@H](C(C)(C)C)[C@H](O)C2)c1O 272370533 BMCROUYQJYMNEL-HUUCEWRRSA-N 307.434 3.020 10 10 DGCE O=C(NCc1cccc(Br)c1O)C1[C@@H]2CCCC[C@@H]12 277565779 PYIPVPBYCKDEPG-GHMZBOCLSA-N 324.218 3.207 10 10 DGCE CCn1nccc1CCN(Cc1ccc(N(C)C)cc1)C1CC1 284169882 XQHMTMYVDURGER-UHFFFAOYSA-N 312.461 3.176 10 10 DGCE CC[C@@H]1SCCS[C@@H]1[C@@H](N)c1ccc2c(c1)CCN2C 2163061739 HXJGRPRLJGZJQF-JYJNAYRXSA-N 308.516 3.306 10 10 DGCE O=C(NCc1cc(Br)ccc1O)c1ccccc1F 804737990 YBYQTRXTNDKHQO-UHFFFAOYSA-N 324.149 3.224 10 10 DGCE C[C@H]1[C@H](C)CN1c1ccc(/C=C/C(=O)O)cc1Br 706830223 ITIWKJDGVFUCFR-HANDCERCSA-N 310.191 3.392 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccncc1Cl 816822489 MDCCAQGNYUHJKI-UHFFFAOYSA-N 317.820 3.002 10 10 DGCE CC[C@H](N[C@H]1CCc2nc[nH]c2C1)c1cc(Cl)ccc1O 810254764 RATAAMQJJXUWJW-AAEUAGOBSA-N 305.809 3.367 10 10 DGCE Oc1ccc(Cl)cc1CN1C[C@]23CCCC[C@]2(COC3)C1 827849638 GMLXELDRUHZYTM-CALCHBBNSA-N 307.821 3.438 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC1C[C@@H]2C[C@H]2C1 824859173 KMKRJCIWJQLXJW-HOTGVXAUSA-N 315.461 3.471 10 10 DGCE CN1CCC(CN(C)C/C=C\c2ccc(N(C)C)cc2)CC1 835029124 UYMNLQLMRQXDQJ-WAYWQWQTSA-N 301.478 3.039 10 10 DGCE COc1ccc(O)c(CNC(=O)/C=C\c2cc(C)cc(C)c2)c1 588383995 TVTWKLCRTPZIRT-DAXSKMNVSA-N 311.381 3.347 10 10 DGCE Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2C)c(Cl)n1 734406526 YYPSLLNWVYBKIM-UHFFFAOYSA-N 317.820 3.348 10 10 DGCE CCOC[C@H](C)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C 832532645 VHZKWUYFFJNOEA-AWEZNQCLSA-N 314.429 3.178 10 10 DGCE COc1cccc(CNC(=O)C2(C(F)(F)F)CCCC2)c1O 841406997 VBNZLEZYQBSIHD-UHFFFAOYSA-N 317.307 3.140 10 10 DGCE FC1(F)C[C@]12CCCN(Cc1ccc(N3CCOCC3)cc1)C2 846107857 LIYZWFBYTWNLTK-KRWDZBQOSA-N 322.399 3.144 10 10 DGCE Cc1cc(CN(C)Cc2ccccc2O)cnc1Br 929976032 LRTIPNUKKHVRSA-UHFFFAOYSA-N 321.218 3.490 10 10 DGCE COc1nnc(CN(Cc2ccc(N(C)C)cc2)C(C)C)s1 929295094 JAQLMIWZBFIQBT-UHFFFAOYSA-N 320.462 3.023 10 10 DGCE COc1ccc(N2CC[C@@H](NCc3cc4cnccc4o3)C2)cc1 850347344 QNVOBZICXXPXIG-OAHLLOKOSA-N 323.396 3.205 10 10 DGCE COc1cccc(CN[C@H](C)[C@@H]2Oc3ccccc3[C@H]2C)c1O 752264444 DLZPWGNGITXKRC-VLXJIEOASA-N 313.397 3.444 10 10 DGCE COC[C@H](N[C@@H](C)c1cc(Cl)ccc1O)C1CCOCC1 850494742 XURQAPUUXAFVDH-NHYWBVRUSA-N 313.825 3.138 10 10 DGCE C[C@H](COc1c(F)cccc1F)NCc1ccc2c(c1)CCO2 850366954 SETYXSAGLXETST-GFCCVEGCSA-N 319.351 3.457 10 10 DGCE C[C@H](NC(=O)N[C@@H]1c2ccccc2O[C@H]1C)c1ccccc1O 868617235 ABRYQBFRDBEBNI-PRXAMGSTSA-N 312.369 3.275 10 10 DGCE COc1cccc2c1N(C(=O)/C=C\c1ccc(C)nc1)CCC2 779471085 ALLRBTXMRJCWIC-KHPPLWFESA-N 308.381 3.391 10 10 DGCE [N-]=[N+]=NCCCOc1ccc(I)cc1 42416195 QLTSKTYLERMFPC-UHFFFAOYSA-N 303.103 3.370 10 10 DGCE CO[C@H](CCN[C@@H](C)c1ccc(N(C)C)cc1)C(F)(F)F 786953862 NPYOILYRWTZALZ-SMDDNHRTSA-N 304.356 3.371 10 10 DGCE Cc1cc(Br)c(O)c(CN[C@H]2CCO[C@H](C)C2)c1 781636938 UWNBZISDQLFEJY-PWSUYJOCSA-N 314.223 3.120 10 10 DGCE Cc1cc(N(C)C)ccc1CNCc1ccc2c(=O)cc[nH]c2c1 895204970 MUNAKXGKLBSTBO-UHFFFAOYSA-N 321.424 3.192 10 10 DGCE CC1(C)CCC[C@H](CC(=O)OCC(=O)c2ccc(O)c(O)c2)C1 784377631 AFHQGLLACUGRMI-GFCCVEGCSA-N 320.385 3.430 10 10 DGCE C[C@H](NCc1ccccc1O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 279689856 HZIQADVMSCEKMD-DZGCQCFKSA-N 320.433 3.127 10 10 DGCE CCCc1occc1C(=O)NCc1ccc(N(C)C)c(F)c1 798413701 WCIGREDYOWWAOM-UHFFFAOYSA-N 304.365 3.367 10 10 DGCE C[C@H](NC(=O)c1cccc(-n2cccn2)c1)c1ccccc1O 1302538496 SLKVKARYJUORSO-ZDUSSCGKSA-N 307.353 3.069 10 10 DGCE CO/C(=C\c1ccccc1)C(=O)NCc1cc(Cl)ccc1O 1452934732 DCNQJEISRLUDIK-SXGWCWSVSA-N 317.772 3.349 10 10 DGCE COCCC[C@@H](C)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1525106444 GOJYCRFCRXODKP-MRXNPFEDSA-N 318.461 3.308 10 10 DGCE CN(C)c1ccc(CNC(=O)Cc2cccc3ncccc23)cc1 1523212000 KISZHPCKSZHOBT-UHFFFAOYSA-N 319.408 3.160 10 10 DGCE CC/C=C(\C)C(=O)NC[C@@H](CC)NCc1ccc(OC)c(C)c1 1481794193 NDOZZVUCCBXLDL-LEHPZIBWSA-N 318.461 3.344 10 10 DGCE CN[C@H](CC1(N(C)C(=O)OC(C)(C)C)CC1)c1ccccc1O 1925291335 WIZLCJRSQJVQQJ-CQSZACIVSA-N 320.433 3.442 10 10 DGCE CC[C@]1(F)CCN(c2ccc(CO)cc2Br)C1 1925566871 RTBNNFQHBUPPIK-ZDUSSCGKSA-N 302.187 3.270 10 10 DGCE COC1(C(=O)N(C)Cc2ccc(N(C)C)cc2)CCCCCC1 1623387233 UVCDSLRYWKVTRC-UHFFFAOYSA-N 318.461 3.450 10 10 DGCE O=C(NCc1cccc(Cl)c1O)NCC12CCC(CC1)C2 1564481327 DBXKAKIQUQZTJL-UHFFFAOYSA-N 308.809 3.425 10 10 DGCE O=C(NCc1ccc(O)c(O)c1)c1csc(C(F)(F)F)c1 1631434741 VOHPMKJCZUOEDL-UHFFFAOYSA-N 317.288 3.108 10 10 DGCE COc1ccc(CNC[C@@H](C)N(C)C(=O)C2CCCC2)cc1C 1732405909 YFJACMWNEQSZIH-OAHLLOKOSA-N 318.461 3.130 10 10 DGCE C[C@@H](NC(=O)Cn1cc(C=O)c2ccccc21)c1ccccc1O 1642827597 MIHBSOORLZQARB-CYBMUJFWSA-N 322.364 3.037 10 10 DGCE O=C(NCCc1ccc(O)c(O)c1)c1ccsc1C(F)F 1595752990 VWILERHLHOQXDJ-UHFFFAOYSA-N 313.325 3.069 10 10 DGCE Oc1ccc(F)cc1CNCc1nccn1Cc1ccccc1 1936952835 DKGQFRFXYZFFSQ-UHFFFAOYSA-N 311.360 3.066 10 10 DGCE Cc1cc(Br)cc([N+](=O)[O-])c1Oc1ccc(N)cn1 235753550 PIHSIKVBABISBY-UHFFFAOYSA-N 324.134 3.435 10 10 DGCE CN[C@H](C)c1ccc(N2CC(SC)C2)c(Br)c1 1948315671 USPULRFRTXQBHB-SECBINFHSA-N 315.280 3.281 10 10 DGCE Cc1ccc([C@H]2CC(=O)CCN2C(=O)OC(C)(C)C)c(O)c1 1952064663 OWTPCGQSCOKWJM-CQSZACIVSA-N 305.374 3.342 10 10 DGCE CN(C)c1ccc([C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C2CC2)cc1 1977940269 XDPHDPGNNKINAK-JKSUJKDBSA-N 320.433 3.089 10 10 DGCE C[C@H]1CCN(Cc2ccccc2)CCN1Cc1ccc(N)cc1 1990951397 CNQMADMMNNHDLH-KRWDZBQOSA-N 309.457 3.365 10 10 DGCE Oc1c(Br)cccc1CN[C@H]1C[C@]12CC2(F)F 2004620228 VUUBVRFNVKUPSA-ONGXEEELSA-N 304.134 3.042 10 10 DGCE CCN[C@@H](c1ccc(N(C)C)cc1)C(F)(F)Br 2000352762 MBEXJLJAUYXFBE-NSHDSACASA-N 307.182 3.391 10 10 DGCE Cc1ccc([C@H](C(C)C)n2nc(C)c(C(N)=O)c2Cl)c(O)c1 2079111128 IAZNYBYQDVORSS-AWEZNQCLSA-N 321.808 3.203 10 10 DGCE Cc1cc(N2CCSCC(F)(F)C2)ccc1C[C@@H](C)N 2193347373 WHEWMHGTLISGTE-GFCCVEGCSA-N 300.418 3.073 10 10 DGCE CCc1cccc(CN[C@H]2CS[C@H](C(F)(F)F)C2)c1O 2189246193 QMWIVWJEXBMYTQ-NEPJUHHUSA-N 305.365 3.481 10 10 DGCE CNCc1ccc(N(C)C2CC(CF)C2)c(Br)c1 2054703801 LIPWQHRHDZSMSU-UHFFFAOYSA-N 315.230 3.353 10 10 DGCE CC(C)NCc1ccc(N2CC[C@H]2CF)cc1Br 2063212796 GJJGMLCJYCXUHW-ZDUSSCGKSA-N 315.230 3.495 10 10 DGCE CCN1CCc2cc([C@@H](N)c3coc(Br)c3)ccc21 2106793118 KJNPSRGUFMJGAM-OAHLLOKOSA-N 321.218 3.473 10 10 DGCE Cc1nc(CN(C)c2ccc([C@H](C)N)cc2Br)co1 2113577061 CHIXZDHEFJCWFP-VIFPVBQESA-N 324.222 3.402 10 10 DGCE CCOC(=O)[C@@](CSc1nccs1)(C[C@H](C)CC)NC 2207913231 FJCKRPYJQHFKQD-RISCZKNCSA-N 316.492 3.193 10 10 DGCE Cc1cc(S(=O)(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])sc1Cl 2225798520 JKLBPCDYLMCVHR-SFYZADRCSA-N 320.827 3.220 10 10 DGCE Nc1ccc(NC(=O)CCSC2CC(C(F)F)C2)cc1 2241036977 ZQRHYQJWPMJTCH-UHFFFAOYSA-N 300.374 3.374 10 10 DGCE [N-]=[N+]=NCC1CCN(C(=O)c2cocc2Br)CC1 2258129536 XHMBXRCCLOQGQY-UHFFFAOYSA-N 313.155 3.205 10 10 DGCE Oc1cccc2c1[C@@H](Nc1cnncc1Br)CC2 2264145268 GZBUHSAXPYYPTJ-JTQLQIEISA-N 306.163 3.044 10 10 DGCE CC[C@@H](N)Cc1cnc(SCC2(OC)CCCC2)s1 2265563079 FUXAKYWROCUUJI-LLVKDONJSA-N 300.493 3.474 10 10 DGCE CC1=NN(c2ccccc2)C(=O)C1=CNc1cccc([N+](=O)[O-])c1 2295113321 XZDOLAIORLPMLY-UHFFFAOYSA-N 322.324 3.313 10 10 DGCE O=C1C(=Cc2ccc(F)cc2)SC(=S)N1CN1CCCC1 2297578260 GPSMNKBRZXKZBU-UHFFFAOYSA-N 322.430 3.080 10 10 DGCE CC(C)C1(C)CCN(C(=O)C=Cc2ccc(O)c(O)c2)CC1 2310359397 DQUFDCJIEYNQJO-UHFFFAOYSA-N 303.402 3.396 10 10 DGCE Oc1ccc(Br)cc1CNC[C@@H]1C[C@@H]2C=C[C@H]1C2 2309754746 SZEAQVDITGXVRO-WOPDTQHZSA-N 308.219 3.457 10 10 DGCE CCCOc1c(C=C2C(=O)N(CC)N=C2C)cccc1OC 2332117479 MGZQGJMIKCXKLW-UHFFFAOYSA-N 302.374 3.105 10 10 DGCE Cc1ccc(CN[C@@H](C)c2cncn2C)c(O)c1Br 2352940336 DGEJKABTDDTJBI-JTQLQIEISA-N 324.222 3.047 10 10 DGCE Cc1ccc(CCC(=O)N2CCOc3cc(N(C)C)ccc32)cc1 173207091 JHQDTRBLDSISEY-UHFFFAOYSA-N 324.424 3.419 10 10 DGCE Cc1csc([C@H]2CN(Cc3cccc(Cl)c3O)CCO2)n1 179975233 GHDGZPOHJKFFTM-CYBMUJFWSA-N 324.833 3.384 10 10 DGCE Cc1ccccc1[C@H]1C[C@@H]1C(=O)NCc1ccc(N(C)C)cc1 127728568 RCBISMMNDBWFSI-MOPGFXCFSA-N 308.425 3.481 10 10 DGCE C[C@@H](Cc1ccc(N)cc1)N1CCN(Cc2ccccc2)CC1 71426029 SSZKYJFGRXBWKX-KRWDZBQOSA-N 309.457 3.018 10 10 DGCE C[C@@H](CCSC[C@H](O)COc1ccc(N)cc1)C(F)F 2364126587 HAOYFJQMWBIDPT-CMPLNLGQSA-N 305.390 3.033 10 10 DGCE CC(C)(C)OC(=O)NC1(c2c(N)cccc2O)CC(F)(F)C1 1953071976 XXLUCPFHOSVZRS-UHFFFAOYSA-N 314.332 3.124 10 10 DGCE Nc1ccc(NC(=O)Cc2ccc(OC(F)(F)F)cc2)cc1 237857910 ANJFRIHUQWOSEP-UHFFFAOYSA-N 310.275 3.349 10 10 DGCE CC(C)n1ncc2c1C[C@H](NCc1ccc3c(c1)CCO3)CC2 365133243 LUIGPBMBWSUJMZ-QGZVFWFLSA-N 311.429 3.046 10 10 DGCE Cc1cc(Cl)cc(CN2CC[C@@H](c3nccn3C)C2)c1O 367708586 VFIHQAIVTLYGKQ-GFCCVEGCSA-N 305.809 3.077 10 10 DGCE C[C@H](NC(=O)N[C@H]1CCCC1(F)F)c1ccc(N(C)C)cc1 807139824 IJFSILBDZDPHLV-FZMZJTMJSA-N 311.376 3.301 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)[C@H](C)c1ccnn1C 817599414 FGRXWZHKJVUDDB-CQSZACIVSA-N 315.417 3.058 10 10 DGCE NCc1ccc(N2C[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2)cc1Br 723178691 AWFNDSFBRUWRDG-UOVKNHIHSA-N 319.246 3.166 10 10 DGCE Cc1ccc(C(=O)N2CC3(CCC3)[C@H]2c2ccco2)c(O)c1O 837015327 MKAYAHTYSAPFMU-MRXNPFEDSA-N 313.353 3.367 10 10 DGCE CN1CCCc2cc(/C=C3/N=C(c4ccsc4)OC3=O)ccc21 748044869 NDFMDNNITRZECB-XNTDXEJSSA-N 324.405 3.475 10 10 DGCE C[C@@]1(O)[C@H]2C[C@@H]1CN(c1ccc(OCc3ccccc3)cc1)C2 1899885780 VPENVAWMRUYIRN-YRWFTTLQSA-N 309.409 3.473 10 10 DGCE CCC(=CC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)CC 855234091 RZEMNNYXRLCYHG-OAHLLOKOSA-N 302.418 3.137 10 10 DGCE Cc1cc(C(=O)NCC[C@H]2CC2(F)F)c(C)n1-c1ccccn1 857350893 WNKXHODHDQDUNK-ZDUSSCGKSA-N 319.355 3.264 10 10 DGCE CCCN(CCC)c1ccc(CNCc2cnn(CC)n2)cc1 858204277 AYPSUXNMPJCGFD-UHFFFAOYSA-N 315.465 3.214 10 10 DGCE COc1ccc(N2CC[C@@H](NCc3sc(C)nc3C)C2)cc1 850346291 DQRJLDQLEIQXDI-CQSZACIVSA-N 317.458 3.137 10 10 DGCE Cc1ccc(O)c([C@H](C)NCc2nccn2CC(F)(F)F)c1 756539954 YBFUQFLFHZCXED-NSHDSACASA-N 313.323 3.310 10 10 DGCE COc1ccc(N(C)CCCC(=O)OC(C)(C)C)c(OC)c1 784202233 AWRTXDLEIXKYNS-UHFFFAOYSA-N 309.406 3.262 10 10 DGCE O=C(NC1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12)c1cc2cc(O)c(O)cc2s1 896986774 VLHMXFZEVNACMQ-XKEOVWDISA-N 315.394 3.087 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](Nc2c(N)cccc2F)C1 1959370986 KOBAVBHWHRQUDE-GHMZBOCLSA-N 309.385 3.266 10 10 DGCE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1Nc1ccc(N)cc1 1959371839 POLAHUKSQFPHJS-WFASDCNBSA-N 305.422 3.326 10 10 DGCE COC(=O)c1cc(CN[C@@H](C)c2ccccc2O)[nH]c1C(C)C 895459429 BYNZNTZVOJFDRO-LBPRGKRZSA-N 316.401 3.481 10 10 DGCE COc1cccc(CNc2nc3c(F)cccc3n2C)c1O 798391484 FWVKMSOJKDDDFN-UHFFFAOYSA-N 301.321 3.039 10 10 DGCE CO[C@H]1CCC[C@H]1N(C)Cc1ccc(Br)cc1O 687460623 OGBPPWLYCJVZQQ-OCCSQVGLSA-N 314.223 3.154 10 10 DGCE CN(CCCN=[N+]=[N-])C(=O)c1cccc(Br)c1F 1912147972 NJFUNPBZURJAQX-UHFFFAOYSA-N 315.146 3.361 10 10 DGCE Cc1nc2ccccc2c(C)c1C(=O)NCc1ccc(O)cc1O 1451773953 ZYFSPVPZXGYSOP-UHFFFAOYSA-N 322.364 3.193 10 10 DGCE O=C(c1cc(O)cs1)N1CCO[C@@H](c2ccccc2)CC1 1522755057 HJLXTMJLDYFOMU-CQSZACIVSA-N 303.383 3.058 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)[C@@H]1Cc2ccccc2S1 1557385891 LVQBPRDYECVOND-HNNXBMFYSA-N 319.813 3.379 10 10 DGCE Cc1[nH]nc(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1C 1637221556 ZJXUKRNGWUKOMM-UHFFFAOYSA-N 322.412 3.364 10 10 DGCE Nc1cc(Cl)c(Cl)cc1C(=O)NCc1ccccc1O 1631540645 ZTNULPOYPGYMJD-UHFFFAOYSA-N 311.168 3.211 10 10 DGCE CN(C)c1ccc(CN(C)c2nc3ccccc3nc2F)cc1 1641982605 GYCGWRMLUXTAFA-UHFFFAOYSA-N 310.376 3.471 10 10 DGCE CCCN(Cc1ccccc1O)C[C@](O)(CC)C(F)(F)F 1653476046 NNHMNQAFZUQPQZ-CQSZACIVSA-N 305.340 3.308 10 10 DGCE COc1ccc(N(C)CCN(C)C[C@H]2CCC(F)(F)C2)cc1 1659280754 IIDNLAAPLUYTTP-AWEZNQCLSA-N 312.404 3.499 10 10 DGCE C[C@@H](NC(=O)c1cc(F)c(O)c(Cl)c1)c1ccccc1O 1587447499 UJLMMXVQDJKAKE-MRVPVSSYSA-N 309.724 3.381 10 10 DGCE O=C(O)c1cc(O)ccc1NC(=O)c1cccc(F)c1Cl 165078521 RGSAWWVTNBIXCV-UHFFFAOYSA-N 309.680 3.135 10 10 DGCE CCOC(=O)[C@@H]1CCCN(/N=N/c2ccccc2OCC)C1 1860483999 UFKFEQKIBXTWGF-OYLHUBKDSA-N 305.378 3.359 10 10 DGCE CCN(C(=O)CNCc1cc(C)ccc1O)c1cccc(C)c1 1857857983 QDKLPTMXRGREDG-UHFFFAOYSA-N 312.413 3.152 10 10 DGCE Cc1ccc2oc(=O)n(CCCCOc3ccc(N)cc3)c2c1 41582778 YUICWLWPZZHWQJ-UHFFFAOYSA-N 312.369 3.344 10 10 DGCE COc1ccc(Br)c(CN[C@H]2C[C@@H](CF)C2)c1O 1966090014 HJNAJQVWQWHQJI-DTORHVGOSA-N 318.186 3.001 10 10 DGCE CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1ccc(N(C)C)cc1 1977946553 VYUGDHLJXLFLSY-CVEARBPZSA-N 321.465 3.316 10 10 DGCE CC1(F)CC(CNCc2cccc(Br)c2O)C1 2013174992 BHGJFDBQROVSJV-UHFFFAOYSA-N 302.187 3.383 10 10 DGCE CCNCc1ccc(N2CCO[C@H](CCF)C2)c(Cl)c1 700591743 VBMBMHTWIIOHAV-CYBMUJFWSA-N 300.805 3.014 10 10 DGCE Nc1ccc(NC(=O)c2cc(Br)cn2C2CC2)cc1 63063547 ZDSAIYDUZRYLOD-UHFFFAOYSA-N 320.190 3.420 10 10 DGCE Oc1cc(Br)ccc1CNCC[C@H]1CC1(F)F 701937029 VRORBWKOBGQBCA-VIFPVBQESA-N 306.150 3.290 10 10 DGCE C[C@H]1CCC[C@H](C)N1NCc1ccc(Br)cc1O 691478728 XLVYGDCZMKYVBM-QWRGUYRKSA-N 313.239 3.422 10 10 DGCE C[C@@H]1CO[C@@H](CN(C)Cc2c(O)cccc2Br)C1 2047491324 OAMIEBVRQIGKNP-WDEREUQCSA-N 314.223 3.012 10 10 DGCE C[C@@H](N)c1ccc(N(C)CCOC(F)F)cc1Br 2082818148 UQPLIMFINUPNDJ-MRVPVSSYSA-N 323.181 3.144 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](Oc3ccc(N)cc3)C[C@H]2C1 2210213340 LLHZEQLBPZIBBV-MAZHCROVSA-N 318.417 3.293 10 10 DGCE CCC[C@@H]1C[C@@H]1NCc1c(Br)ccc(OC)c1O 2220463211 XYBDUAPOSCLYKW-SKDRFNHKSA-N 314.223 3.442 10 10 DGCE CC1=NN(c2ccc(C)cc2)C(=O)C1=Cc1ccc(C(=O)O)cc1 2295081137 JZEIMWMFKPFPEG-UHFFFAOYSA-N 320.348 3.499 10 10 DGCE Cn1cc(C=CC(=O)N2CCc3cnccc32)c2ccccc21 2297699322 CINVIZCHDBSPQX-UHFFFAOYSA-N 303.365 3.176 10 10 DGCE O=C(C=Cc1ccc(Cl)nc1)N1CCOc2ccccc21 2304325214 OONPIIFKSPOZTG-UHFFFAOYSA-N 300.745 3.174 10 10 DGCE Oc1ccc(Br)cc1CN[C@@H]1C[C@@H]2C[C@H]1[C@H]1C[C@@H]21 2309578995 RNOJMAXUNVQNNH-XPBAASLYSA-N 308.219 3.289 10 10 DGCE CCOC(=O)[C@H]1CCCN(N=Nc2cc(C)ccc2OC)C1 2330234245 NJMXOWIFPOIPLZ-ZDUSSCGKSA-N 305.378 3.277 10 10 DGCE CC(C)(C)OC(=O)N1CCCN(c2ccc3c(c2)CCN3)CC1 107857191 JOEYXBZZQRDOHB-UHFFFAOYSA-N 317.433 3.102 10 10 DGCE Cc1noc([C@@H]2CCCN(Cc3cc(Cl)cc(C)c3O)C2)n1 179755932 MXLGBGGAAKXEEZ-GFCCVEGCSA-N 321.808 3.425 10 10 DGCE CN(c1cc(Cl)c(CN)cc1F)[C@H]1CC[C@@H]2[C@H]1C2(F)F 2358843537 BAUPJERMNLPHAW-YDEJPDAXSA-N 304.743 3.418 10 10 DGCE C[C@@H](NCC[C@@H]1C(=O)Nc2ccccc21)c1cc(F)ccc1O 185879807 XADZEZJFXBHSPZ-RISCZKNCSA-N 314.360 3.308 10 10 DGCE C[C@H](C(=O)Nc1ccc(N)cc1)[S@@](=O)c1ccc(Cl)cc1 40960901 WCKZAMTWMRPRPU-UZJPJQLHSA-N 322.817 3.057 10 10 DGCE CCOc1cccc(CN(C)c2cc(OC)cc(OC)c2)c1O 191682658 RLGHXCKDUJCBTK-UHFFFAOYSA-N 317.385 3.445 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)Nc1c(C)nn(C)c1C 271581875 RMAGMVBVOOEZHG-UHFFFAOYSA-N 316.405 3.187 10 10 DGCE CCc1ccc(S(=O)(=O)Nc2ccc(O)cc2CC)s1 276974092 VRVRSQMWIFCNTN-UHFFFAOYSA-N 311.428 3.379 10 10 DGCE CN(Cc1cc(Cl)c(F)cc1O)C1CCC(CO)CC1 293897179 KUCPOHQUHVGHDZ-UHFFFAOYSA-N 301.789 3.168 10 10 DGCE O=C(/C=C\c1cnc2ccccc2n1)N1CCc2cc(F)ccc21 801076810 RSSHLRODXQLILY-VURMDHGXSA-N 319.339 3.371 10 10 DGCE COC(=O)c1ccc(CNCc2cc(Cl)c(F)cc2O)cc1 816610319 GQWPHORWOHKQHH-UHFFFAOYSA-N 323.751 3.261 10 10 DGCE COc1ccc(O)c(CN[C@H](c2ccccc2)[C@@H](O)C(C)C)c1 827525600 BIZFDDMMESFDAA-MOPGFXCFSA-N 315.413 3.249 10 10 DGCE CSCCCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 736675043 XIENZDGALXJNTH-OAHLLOKOSA-N 323.458 3.043 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)N[C@H](Cc1ccccc1)C1CC1 588407042 OWBAEHYBEUXPJW-CGICMKJESA-N 323.392 3.249 10 10 DGCE CCC[C@H](C)CNCc1cc(F)c(N2CCOCC2)c(F)c1 839146596 NGNBTPCDKAKLRM-ZDUSSCGKSA-N 312.404 3.327 10 10 DGCE Cc1ccc(-c2noc(COC(=O)c3cc(O)cs3)n2)cc1 731912659 XDGQMXBDZSZVNU-UHFFFAOYSA-N 316.338 3.169 10 10 DGCE FC(F)(F)[C@@H](C[C@H]1CCCO1)NCc1ccc2c(c1)CCO2 848573856 KLEPEIODGUBHMR-UKRRQHHQSA-N 315.335 3.211 10 10 DGCE CCc1cccc(CNCc2ccc(N3CCN(C)CC3)cc2)c1 846100500 NWSBZDVGGOYBDI-UHFFFAOYSA-N 323.484 3.291 10 10 DGCE COc1ccc(O)c([C@H](C)NCCCc2c(C)noc2C)c1 756640888 QKLYFPUHTNQLKO-NSHDSACASA-N 304.390 3.289 10 10 DGCE COc1cccc([C@H](C)N[C@@H](c2ccccc2)[C@H](C)O)c1O 850585483 YPJLPYVBZVWWOZ-GDZNZVCISA-N 301.386 3.174 10 10 DGCE C[C@@H]1[C@H](C(F)(F)F)OCCN1Cc1cc2c(cc1O)CCC2 853572319 OXLKDCKFUUYCLT-MEBBXXQBSA-N 315.335 3.033 10 10 DGCE CC(=O)c1cc(Cl)cc(CN[C@@H]2CC[C@H]3CC[C@H]2OC3)c1O 934602895 XRRGRZHAEMPTDM-IUIKQTSFSA-N 323.820 3.295 10 10 DGCE CC[C@H](NC[C@H]1CC2(CCOCC2)CO1)c1ccc(C)cc1O 866533372 QKYVBZCSASDQTQ-WBVHZDCISA-N 319.445 3.327 10 10 DGCE CN(C)c1ccc(OCC2CC2)cc1I 694945185 WJWDAXMCEKYBIU-UHFFFAOYSA-N 317.170 3.146 10 10 DGCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2C[C@@H](C)[C@@H]2C)c1 861837163 QSYKWUAQODXPLW-OCCSQVGLSA-N 310.397 3.387 10 10 DGCE CCC[C@H](O)CCCSc1ncc(C(=O)OCC)s1 866033063 KINRFXQLIRNVKV-JTQLQIEISA-N 303.449 3.353 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H](Nc2ccc(N)cc2)CC1(C)C 1959351193 KTWSMTFQULXKST-CQSZACIVSA-N 305.422 3.469 10 10 DGCE Cc1cnc(Br)c(NCc2ccc(O)cc2O)c1 385231165 GZSZMDYMVCKKPJ-UHFFFAOYSA-N 309.163 3.176 10 10 DGCE CN(C)c1ccc(CN2CC[C@@H](Cc3ccncc3)C2)cc1F 783596718 FYLZABPJQJLYCC-KRWDZBQOSA-N 313.420 3.351 10 10 DGCE CCCc1nc(-c2ccc(N(C)C)cc2)sc1CC(=O)O 82428318 JLXCOTVVOPNCMC-UHFFFAOYSA-N 304.415 3.456 10 10 DGCE C[C@]1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CCCS1 896964191 QFOKOLBUBRRXAJ-OAHLLOKOSA-N 323.439 3.328 10 10 DGCE CSC[C@H]1CCN(c2ccc(CO)cc2Br)C1 706738778 INLKWUHABFGSBB-NSHDSACASA-N 316.264 3.131 10 10 DGCE OCc1ccc(NCc2ccc(Br)cc2O)cc1 691455587 QPOYRRFYQJHPQG-UHFFFAOYSA-N 308.175 3.259 10 10 DGCE CCc1cccc(CNCC2CN(Cc3ccccc3)C2)c1O 716226194 DMECTQQRTGZANG-UHFFFAOYSA-N 310.441 3.176 10 10 DGCE Cc1cccc(O[C@H](C)C(=O)NCc2cc(Cl)ccc2O)c1 1165499263 YLRKAHZDKJTKOY-GFCCVEGCSA-N 319.788 3.438 10 10 DGCE C[C@H](O)CN(Cc1ccccc1)c1ccc([C@H](C)N)cc1F 1914615664 DZBDVSZSPYEHBJ-KBPBESRZSA-N 302.393 3.233 10 10 DGCE CC(C)[C@@H](CO)N(Cc1ccccc1)c1ccc(CO)cc1F 1915281934 UQBKIVPTLQVBTD-LJQANCHMSA-N 317.404 3.342 10 10 DGCE CC[C@H](CNC(=O)Cc1cc(C)n(-c2ccccc2)c1C)OC 1460656728 VOUPDAFJPCAERY-GOSISDBHSA-N 314.429 3.178 10 10 DGCE O=C(Nc1ccccc1Br)c1ccc(O)c(O)c1 227011880 UECRWJSEOZWMEL-UHFFFAOYSA-N 308.131 3.113 10 10 DGCE CCOC(=O)CN(Cc1ccccc1O)C[C@@H]1CC[C@@H]2C[C@H]2C1 1473572449 TXPCJJGGAHTCSG-BFYDXBDKSA-N 317.429 3.194 10 10 DGCE CN[C@H](c1ccccc1O)[C@@H]1CCCN1C(=O)OC(C)(C)C 1928475344 WYYOLNRUUGEMSV-DZGCQCFKSA-N 306.406 3.052 10 10 DGCE CC(C)C[C@@H](NC(=O)OC(C)(C)C)[C@H](N)c1ccccc1O 1928475642 ZWAIXAAFKSWJBC-UKRRQHHQSA-N 308.422 3.331 10 10 DGCE O=C(CCSCc1ccccc1)NCc1cccc(O)c1O 1651175582 CYZLJOZAORKPMX-UHFFFAOYSA-N 317.410 3.038 10 10 DGCE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N(C)CCCN=[N+]=[N-] 1962287670 LOUQTHYRIKOGCV-QWHCGFSZSA-N 311.430 3.264 10 10 DGCE O=C1/C(=C\c2ccncc2)SC(=S)N1c1cccc(O)c1 5705920 OZCASDSYBQKLDJ-MDWZMJQESA-N 314.391 3.193 10 10 DGCE CC(C)=CC(=O)NCc1ccc(C(=O)Nc2ccc(N)cc2)cc1 160423867 MSILBGJTEBXNAQ-UHFFFAOYSA-N 323.396 3.104 10 10 DGCE CC(C)CNCc1ccc(N2CCC[C@@](C)(O)C2)c(Cl)c1 163370027 LYMFIKSMHDUZPZ-QGZVFWFLSA-N 310.869 3.437 10 10 DGCE CCCNCc1ccc(N(C)C[C@@H](C)O)cc1C(F)(F)F 167374794 MRZLTPHOEFBVHR-LLVKDONJSA-N 304.356 3.022 10 10 DGCE Cn1c2c(c3cc(Cl)ccc31)C[C@@H](C(=O)NC1CC1)CC2 1858153935 ZZOOQEHMXJYDIB-JTQLQIEISA-N 302.805 3.215 10 10 DGCE CN[C@H](c1ccccc1O)[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1937868639 IWLKIBWANAQZQN-DAXOMENPSA-N 320.433 3.298 10 10 DGCE CC1CCC(OC(=O)CCNCc2ccc(N(C)C)cc2)CC1 1857869335 YYOUTQHOWNMGPW-UHFFFAOYSA-N 318.461 3.354 10 10 DGCE CCCC1CN(c2cc(Br)c(CN)cc2F)C1 1946875044 ROYMZVGIPNNMOM-UHFFFAOYSA-N 301.203 3.283 10 10 DGCE C[C@@H](N)c1cnc(Sc2ccc(Br)cn2)s1 1976520867 HYXBMUWIGSFGPV-ZCFIWIBFSA-N 316.249 3.472 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)c2ccoc2Br)CC1 2038002685 OIEBCVUYJPPQGJ-MRVPVSSYSA-N 313.155 3.347 10 10 DGCE C[C@@H]1NC[C@H](C)N(Cc2cc(Cl)cc(Cl)c2O)[C@@H]1C 401210518 MXEDUVLOWFTBQX-LPEHRKFASA-N 303.233 3.270 10 10 DGCE Oc1cccc2c1[C@H](NCc1cncc(Br)c1)CC2 702999954 YRAOAZUNLXSLIN-CYBMUJFWSA-N 319.202 3.327 10 10 DGCE CCNCc1cc(F)c(N2CCSCC2(C)C)c(F)c1 2170986646 PCOWUCSLENHRAU-UHFFFAOYSA-N 300.418 3.406 10 10 DGCE Cc1cccc([C@H](C)n2cc(C(=O)OC(C)(C)C)c(O)n2)c1O 2070639058 YUFVAODIVHPURQ-NSHDSACASA-N 318.373 3.167 10 10 DGCE CO[C@H]1CC[C@@H](NCc2cc(Br)ccc2O)CC1 2042527424 ZVLXESJZQFINAB-BETUJISGSA-N 314.223 3.202 10 10 DGCE FC[C@@H]1CCN1c1ccc(CNC2CC2)c(Br)c1 2063212627 DQFTYBPCOICTIH-ZDUSSCGKSA-N 313.214 3.249 10 10 DGCE C[C@@H](c1ccccc1O)N(C)c1cc(Br)cnn1 2072467197 OTYMPJPFPUDJJI-VIFPVBQESA-N 308.179 3.142 10 10 DGCE CN[C@@H](C)c1ccc(N(C)Cc2cnco2)cc1Br 2105605314 SIXKPDRDAVJYRI-JTQLQIEISA-N 324.222 3.354 10 10 DGCE CN[C@H](c1ccc2c(c1)CCN2C)c1ccoc1Br 2106855456 OLPVOMMSWPMGIR-CQSZACIVSA-N 321.218 3.343 10 10 DGCE Nc1ccc(O)c(CNC(=O)c2cc(Cl)c(Cl)s2)c1 2099842130 BOUVWYJNKZRGLV-UHFFFAOYSA-N 317.197 3.273 10 10 DGCE O=C(O)[C@H]1[C@H]2CC[C@@H](C2)N1Cc1cc(Cl)cc(Cl)c1O 2201096844 UKUMNJKPAMGKPQ-VIRWGQHYSA-N 316.184 3.137 10 10 DGCE CC[C@@H](O)CN(Cc1ccccc1)c1ccc(OC)cc1OC 2210910621 ULTTVGXQHGIGHS-MRXNPFEDSA-N 315.413 3.481 10 10 DGCE CNCc1ccc(N(C)CC2(Cl)CC2)cc1Br 2216159876 QWVLZLUZXJLMTI-UHFFFAOYSA-N 317.658 3.376 10 10 DGCE CCCN(C[C@@H](C)O)c1ccc([C@@H](C)N)c(Br)c1 2259722724 SMHKUKOEKFRXAF-GHMZBOCLSA-N 315.255 3.066 10 10 DGCE CCc1ccc(C=C2SC(=S)N(Cc3ccon3)C2=O)o1 2300338870 KRLCUVXORVGLEX-UHFFFAOYSA-N 320.395 3.231 10 10 DGCE COC(=O)c1cccc(N=Nc2c(C(=O)O)nc3ccccn23)c1 2320767314 BXCHBBGLMJRPTF-UHFFFAOYSA-N 324.296 3.235 10 10 DGCE CC(C)n1ncc(Br)c1CNc1ccc(N)cc1 2319628425 JTIMQFDCZHAKNL-UHFFFAOYSA-N 309.211 3.421 10 10 DGCE Cc1ccc(CN2CCOCC2(C)C)c(O)c1Br 2327566314 BFOMPVLCLXRJHN-UHFFFAOYSA-N 314.223 3.074 10 10 DGCE CSc1ccc(CNC(=O)N(C)Cc2ccccc2O)cc1 56944796 NVTIXPBTOUQMQG-UHFFFAOYSA-N 316.426 3.456 10 10 DGCE Cc1ccc(O)c([C@H](C)N[C@@H]2CCc3nc(C(C)C)nn3C2)c1 185996584 XQZKRKAVVIPPFZ-UONOGXRCSA-N 314.433 3.081 10 10 DGCE Cc1cc(C(=O)NC[C@H](C)CO)c(C)n1-c1ccc(Cl)cc1 120728521 JBRMOKNSSHQNIF-NSHDSACASA-N 320.820 3.106 10 10 DGCE CCNCc1c(C(F)(F)F)nn(C)c1Sc1nccs1 2365251515 CUMQDMKKMMLGON-UHFFFAOYSA-N 322.381 3.156 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](F)C[C@H]1c1c(N)cccc1O 1953074480 XTHUZPARDCJBGM-JQWIXIFHSA-N 310.369 3.385 10 10 DGCE O=C(c1ccccc1)c1ccc(O)c(CN2C[C@H]3CC[C@H]2C3)c1O 246000181 DUWQUNLBENPZCI-ZFWWWQNUSA-N 323.392 3.313 10 10 DGCE Cc1cnc(CNC(=S)Nc2ccc([N+](=O)[O-])cc2)c(C)c1 244495799 ZKHBAWFJYJQPMH-UHFFFAOYSA-N 316.386 3.093 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C[C@@H](O)CC(F)(F)F 276370409 OISMTMFIUREHQN-HNNXBMFYSA-N 318.383 3.276 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)c1csc(C(F)(F)F)n1 2165238836 HTUZIEHWZMGYAG-LURJTMIESA-N 305.285 3.077 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCOC3)C2)cc1 807897653 SCPJNKVNUZPPDW-UHFFFAOYSA-N 324.424 3.347 10 10 DGCE C[C@@H]1SCCS[C@H]1[C@H](O)c1ccc2c(c1)CCCN2C 2163107332 OBMZVEHFQCVSGO-IUIKQTSFSA-N 309.500 3.340 10 10 DGCE CO[C@@H](C)c1nsc(NCc2ccc(N3CC=CC3)cc2)n1 800852559 CNRDFQZFPSLHNS-LBPRGKRZSA-N 316.430 3.234 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)c2cc[nH]c2C2CCC2)c1 813488834 GRIOSEFJSDXAEW-NSHDSACASA-N 314.385 3.487 10 10 DGCE CC(C)CC[C@](C)(O)CNCc1cc(Cl)c(F)cc1O 816552761 VLMARLXLEBJHLC-HNNXBMFYSA-N 303.805 3.462 10 10 DGCE COC(=O)[C@@H]1CCCC[C@@H]1NC/C=C/c1ccc(N(C)C)cc1 835055544 VXJOZOHRLSBXTC-IBQUMJASSA-N 316.445 3.087 10 10 DGCE C[C@H](N[C@H]1CCN(C)[C@@H]1C)c1ccc(N2CCCCC2)cc1 903303377 QBCJQYWRZVCZQD-FCEWJHQRSA-N 301.478 3.420 10 10 DGCE CCCN(Cc1ccc2c(c1)CNCC2)Cc1ccccc1O 846218699 RCVHODLBDMOGMZ-UHFFFAOYSA-N 310.441 3.450 10 10 DGCE NCc1ccc2c(c1)CCCN2CCc1ccc([N+](=O)[O-])cc1 843349800 DDLZWKDCGKBXFT-UHFFFAOYSA-N 311.385 3.049 10 10 DGCE COC(=O)c1cc2ccccc2c(CN2C3CCC2CC3)c1O 912788346 BIZUNRKYUMMENU-UHFFFAOYSA-N 311.381 3.459 10 10 DGCE COc1cc(CN2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c(O)cc1C 840113465 BKCWSNAANRMTDV-BRWVUGGUSA-N 319.445 3.225 10 10 DGCE CCN(CC)c1ccc(CNC[C@@H]2C=C[C@H]3C[C@@H]2CO3)cc1F 922722591 HDYQBLDHHHOHTQ-BBWFWOEESA-N 318.436 3.353 10 10 DGCE CC[C@@H](NCc1nccc(OC)c1F)c1ccc(F)cc1O 850536727 MZVHHEXHDIQLEY-GFCCVEGCSA-N 308.328 3.315 10 10 DGCE CC[C@@H](N[C@H]1CCN(C2CCC2)C1=O)c1cc(Cl)ccc1O 858603953 YIJHLQWZRRHHEY-CABCVRRESA-N 322.836 3.240 10 10 DGCE CCCc1nc(C)c(C(=O)NCc2c(O)cccc2F)s1 928710306 ATBJYMDKNPQEFF-UHFFFAOYSA-N 308.378 3.179 10 10 DGCE Oc1ccccc1CN(CC[C@@H]1CCCCO1)C[C@@H]1CCCO1 754070163 WVQKHSUGRJFTFD-ROUUACIJSA-N 319.445 3.332 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)N1CC(CC2CC2)C1 856865983 VGMDUEARNTYSRR-UHFFFAOYSA-N 301.434 3.003 10 10 DGCE O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@@H]1C[C@@H]2C[C@@H]2C1 854514522 WXPYTYIMNBNSOA-WDNDVIMCSA-N 318.380 3.381 10 10 DGCE CN(C)c1ccc(/C=C\CNC2(C3CC3)CCOCC2)cc1 1117971230 LCFRFNDKMBWDKC-ARJAWSKDSA-N 300.446 3.315 10 10 DGCE Cc1cc(O)c(CN2CCC(C)(N3CCC3)CC2)c(Cl)c1 895670318 DRIZCKRMVFULDJ-UHFFFAOYSA-N 308.853 3.414 10 10 DGCE c1cc(N2CCCCC2)ccc1CN[C@H]1COC[C@@H]1C1CC1 898385877 GSUQDGHJUBDYIG-MOPGFXCFSA-N 300.446 3.192 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)c2ccoc2C2CC2)c1 798981181 KIQKTYKBWAKMPZ-JTQLQIEISA-N 301.342 3.362 10 10 DGCE Oc1ccc(CNc2c(Cl)ccc3nsnc23)cc1O 88119058 HHGULFJEMCMRAI-UHFFFAOYSA-N 307.762 3.368 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)c1cccc(O)c1F 1150386625 LAPPBSVQHCGPJB-UHFFFAOYSA-N 315.344 3.046 10 10 DGCE Cc1cccnc1[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1159270929 KSGPHTTZGNFLPH-NSHDSACASA-N 311.345 3.043 10 10 DGCE C[C@H](NC(=O)c1cc(F)c(O)c(Cl)c1)c1ccccc1O 1171730952 UJLMMXVQDJKAKE-QMMMGPOBSA-N 309.724 3.381 10 10 DGCE O=C(NCCCSc1nccs1)N1CCC[C@H]1C(F)F 1348592886 ZGFHAUVAHJBTIY-VIFPVBQESA-N 321.418 3.064 10 10 DGCE CNCc1ccc(N(C)[C@@H]2C3C[C@@H]4C2[C@@H]4C3)cc1Br 2134317598 MFEXSVRDYYIVKC-CKKHILFZSA-N 321.262 3.259 10 10 DGCE [N-]=[N+]=NC1CN(CCC(=O)Nc2cc(Cl)ccc2Cl)C1 1912165092 GDXAODJWHRBGOZ-UHFFFAOYSA-N 314.176 3.317 10 10 DGCE [N-]=[N+]=NC[C@H]1CCN(C(=O)c2ccc(Br)cc2)C1 1912177507 FUEPEJGXTFALAD-SECBINFHSA-N 309.167 3.222 10 10 DGCE CCC[C@H](C)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 1539707380 RCXHWQOUAIWBBG-MAUKXSAKSA-N 319.493 3.298 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)NC[C@@H]1C[C@H]2C=C[C@H]1CC2 1470570956 OPFDVZWIRZQQFU-AVGNSLFASA-N 320.820 3.447 10 10 DGCE O=C(NCc1c(O)cccc1F)c1c(F)c(F)cc(F)c1F 1558454704 KLNUQFQQMQUVII-UHFFFAOYSA-N 317.213 3.018 10 10 DGCE Cc1cccc(-n2c(C)cc(C(=O)N[C@H]3C[C@@](C)(O)C3)c2C)c1 1626814246 WQEANNHZYMQTTI-GLRZTSSQSA-N 312.413 3.046 10 10 DGCE CCOc1cc(Cl)ccc1C(=O)NCc1ccc(O)cc1O 1639444327 HLOFUQNNMNLHNJ-UHFFFAOYSA-N 321.760 3.080 10 10 DGCE C[C@@H]1CC(CNC(=O)N2Cc3cccc(O)c3C2)C[C@@H](C)C1 1565044304 KMKWTGXXNMITHU-STQMWFEESA-N 302.418 3.490 10 10 DGCE C[C@H](CC(=O)NCc1c(O)ccc2ccccc12)[C@@H]1CCCO1 1652709053 TZRJJHWNDAHEEA-ACJLOTCBSA-N 313.397 3.367 10 10 DGCE COc1ccc(N(Cc2cnsn2)Cc2ccco2)cc1F 1657567125 RJZGEXPJOMGZIV-UHFFFAOYSA-N 319.361 3.486 10 10 DGCE CC[C@H]1CN(CCCN=[N+]=[N-])CC[C@H]1NC(=O)OC(C)(C)C 1962303025 DVRIOHYZPWEGAB-QWHCGFSZSA-N 311.430 3.312 10 10 DGCE C[C@@H](N[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)c1cc(F)ccc1O 1938282344 PVMFEPKHFKHUBB-RAIGVLPGSA-N 324.396 3.238 10 10 DGCE CC[C@H]1CN(CCc2ccc(N)cc2)CCN1Cc1ccccc1 1946745571 YIXARWSLIGAFNQ-NRFANRHFSA-N 323.484 3.408 10 10 DGCE C[C@H](Cc1nccn1C)NCc1cc(Cl)cc(Cl)c1O 1964057945 UGORIFUBKLEUAN-SECBINFHSA-N 314.216 3.153 10 10 DGCE CCNCc1ccc(N2CC(F)(CC)C2)c(Br)c1 2032475713 KIHWHMIMXDEZCO-UHFFFAOYSA-N 315.230 3.497 10 10 DGCE CNCc1ccc(N(C)C[C@@H]2CC2(F)F)c(Br)c1 2036085984 XQLQGJANWONRNZ-JTQLQIEISA-N 319.193 3.260 10 10 DGCE [N-]=[N+]=NCCCOc1cc(Br)ccc1[N+](=O)[O-] 703817780 PKYDHXFHAKDJGX-UHFFFAOYSA-N 301.100 3.437 10 10 DGCE C[C@H]1CN(Cc2ccccc2)CCN1CCCc1ccc(N)cc1 382753514 FDARIMVECQUIDU-SFHVURJKSA-N 323.484 3.408 10 10 DGCE Oc1c(F)cc(Br)cc1CNC[C@@H]1C[C@@H]1C1CC1 715719265 RHSXDNJKIKCXHA-JOYOIKCWSA-N 314.198 3.430 10 10 DGCE CN(CCc1ccc(N)cc1)[C@@H]1CCCN(Cc2ccccc2)C1 388881513 QYVFJKNIRXFKQE-OAQYLSRUSA-N 323.484 3.408 10 10 DGCE C[C@H](O)c1ccc(N(C)C2(CO)CCSCC2)c(Cl)c1 2171172831 MHMRUZJUVKCRCC-NSHDSACASA-N 315.866 3.088 10 10 DGCE Oc1cccc(Br)c1CN[C@H]1CC12CC(F)(F)C2 2069063292 RVAWNCRGPMXKNA-NSHDSACASA-N 318.161 3.432 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)c1ncc(Cl)cc1Cl 2107115088 VUVJFVHUOSCBFE-QMMMGPOBSA-N 300.149 3.303 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NC(=O)c1cc(Cl)nc(Cl)c1 2225794513 GNWSIDBKIDCPIE-JGVFFNPUSA-N 300.149 3.350 10 10 DGCE CC[C@@H](C)NCc1ccc(N(C)CC[S@](C)=O)cc1Cl 2240021595 WNIOWAIQMSRJOA-ODXCJYRJSA-N 316.898 3.043 10 10 DGCE CC1=NN(c2ccc(C)cc2)C(=O)C1=Cc1ccc(O)c(O)c1 2297532960 PFWMSCXBJMOTAM-UHFFFAOYSA-N 308.337 3.212 10 10 DGCE CCC[C@H](O)CCNCc1ccc(C)c(Br)c1O 2327622594 ZFJUUUKABGBULI-LBPRGKRZSA-N 316.239 3.104 10 10 DGCE Cc1ccc(CN(C)C(=O)[C@H]2CC23CC3)c(O)c1Br 2352953686 VOMWVODSAMRJBM-LLVKDONJSA-N 324.218 3.222 10 10 DGCE CCC[C@@H](C)N(C)c1c(F)cc(CNCCOC)cc1F 62736081 JSTDPZCDQDRVLP-GFCCVEGCSA-N 300.393 3.326 10 10 DGCE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NCc1ccccc1O 180392177 YRNTZYOMHOVQMM-DZGCQCFKSA-N 320.433 3.127 10 10 DGCE CNCc1ccc(N2CC[C@H](OCc3ccccc3)C2)c(F)c1 384103168 WRRDYTYGNIAJBA-KRWDZBQOSA-N 314.404 3.341 10 10 DGCE CC1=NC(=O)[C@H](N=Nc2ccccc2C(=O)O)N1c1ccccc1 253978787 HJTDGVIUYDRAOX-OAHLLOKOSA-N 322.324 3.260 10 10 DGCE CC[C@H](NCc1cc(Cl)cc(C)c1O)[C@H](O)C(F)(F)F 271789609 GGSSXPIMNILWOS-JQWIXIFHSA-N 311.731 3.145 10 10 DGCE CC[C@H](NCC[C@H](C)[S@@](C)=O)c1cccc(Cl)c1O 806147983 BRPSNXCNBWVZDV-WSHAHDTKSA-N 303.855 3.243 10 10 DGCE CC[C@H](N[C@@H]1CNCCC1(F)F)c1cc(Cl)ccc1O 817980116 IUUILYBMZUXUKA-WCQYABFASA-N 304.768 3.084 10 10 DGCE COc1ccc(N2CC[C@@H](CNC(=O)/C=C\C(C)(C)C)C2)cc1 819582123 IFMOYTJBDADOQS-KLQCNHIUSA-N 316.445 3.240 10 10 DGCE CCCC[C@H](N)[C@H](N)c1ccc(OCc2ccccc2)cc1O 713724494 IDALCZYQOVJMNW-PKOBYXMFSA-N 314.429 3.489 10 10 DGCE COc1ccc(CNC(=O)c2ccc(C(C)(C)C)cn2)c(O)c1 817598817 GDPLTCMRSHUSJC-UHFFFAOYSA-N 314.385 3.023 10 10 DGCE CCOC(=O)c1cc(CN2CCc3cc(OC)ccc32)[nH]c1C 813334667 UHFPYCRPILCFSN-UHFFFAOYSA-N 314.385 3.071 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2Cc3cccnc3C2)c1O 823006747 OAFDSODZKVTVLS-UHFFFAOYSA-N 302.761 3.159 10 10 DGCE C[C@@]12CN(Cc3ccc(N4CCOCC4)cc3)C[C@H]1[C@@H]1C=C[C@H]2C1 824703141 WKAHUKAMMLHABV-ZFMNYDKASA-N 324.468 3.167 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H](C)CC1 734687404 YTZIPVMYZGXISE-CQSZACIVSA-N 303.450 3.393 10 10 DGCE C[C@@H]1CN(C)CC[C@H]1N(C)C/C=C/c1ccc(N(C)C)cc1 835054454 VTHZOHJBQCIHMV-HVMFBIMJSA-N 301.478 3.038 10 10 DGCE C/C(=C\c1cccnc1)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 846977672 KRAGWCPKXHOLAN-OKFGHLOFSA-N 309.413 3.428 10 10 DGCE Oc1ccc(Cl)cc1CN1CCC[C@@H](C2CCNCC2)C1 849350836 YAUWGDOERRGRPQ-CQSZACIVSA-N 308.853 3.257 10 10 DGCE CCOc1ccc(CN[C@H](C)[C@](C)(O)c2ccccc2)c(O)c1 846039245 PZRPHYZVIJPBKZ-KUHUBIRLSA-N 315.413 3.177 10 10 DGCE C[C@@H]1CN(C(=O)c2cc(O)cs2)CCc2ccc(F)cc21 846662459 RMMDOBNYNBIOKS-SNVBAGLBSA-N 305.374 3.395 10 10 DGCE C[C@@H](NC[C@H]1C[C@@H](N(C)C)C1)c1cc2c(cc1O)CCCC2 848557805 LBLUUKXTESTRIN-CPUCHLNUSA-N 302.462 3.262 10 10 DGCE CCn1nc(C)c([C@H](C)NCc2ccc(N3CCCC3)cc2)n1 924647980 KCHCOHMQEGVFSP-AWEZNQCLSA-N 313.449 3.057 10 10 DGCE OC1CCN(c2ccc(CN[C@H]3C[C@H]4C=C[C@H]3CC4)cc2)CC1 922978104 USHDTCLAQIPLDI-KNBMTAEXSA-N 312.457 3.092 10 10 DGCE Fc1cc(CNC[C@@H]2CC[C@@H]3C[C@@H]3C2)ccc1N1CCOCC1 858205136 RTEGVCSSPXAVEJ-OIISXLGYSA-N 318.436 3.188 10 10 DGCE CCOCc1cc(CNC[C@H]2CCC[C@H](C)O2)ccc1OC 850379690 VLHGFFDOUOHJOH-WMLDXEAASA-N 307.434 3.279 10 10 DGCE Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCc1c(O)cccc1F 928705504 KQJOMGIFSSEKLB-GHMZBOCLSA-N 305.374 3.321 10 10 DGCE CO[C@H](CN(C)c1ccc(-c2nccs2)cc1)[C@@H]1CCOC1 852165245 AHUUXXRVNYAMGS-GDBMZVCRSA-N 318.442 3.298 10 10 DGCE Cc1cc(CC(=O)OCCC2(O)CC2)c(C)n1-c1ccccc1 853935139 XEJKCTFKGITQCS-UHFFFAOYSA-N 313.397 3.095 10 10 DGCE Oc1cc2c(cc1CN1CCO[C@@H](CC(F)(F)F)C1)CCC2 853611476 OHBUIEPLAGWVFX-AWEZNQCLSA-N 315.335 3.034 10 10 DGCE CC[C@@H](NCCN(C)CC)c1cc(Br)ccc1O 54109932 WUFRGCCYVKNGIS-CYBMUJFWSA-N 315.255 3.147 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]21 935946722 NSMAURJYEFXPMA-MELADBBJSA-N 308.418 3.320 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)Nc2csc(C)n2)c1 767131171 LCJQUZLCECXPNP-QMMMGPOBSA-N 307.375 3.048 10 10 DGCE CCCCCCNC[C@@H]1CCN(c2ccc3c(c2)OCO3)C1 76439847 BHSLBIMKYASGRI-HNNXBMFYSA-N 304.434 3.412 10 10 DGCE CCOc1ccc(CNc2nc3ccc(F)cc3[nH]2)c(O)c1 784324078 OTOYTBRMTKJMLM-UHFFFAOYSA-N 301.321 3.418 10 10 DGCE CC(C)c1cnc(CNCc2cc(Br)ccc2O)[nH]1 894755361 RSSKPNDBVGYNIL-UHFFFAOYSA-N 324.222 3.291 10 10 DGCE CN1CC[C@@H](NCc2ccc3c(c2)CCN3Cc2ccccc2)C1 796283445 FZSIQAJCVACQOY-HXUWFJFHSA-N 321.468 3.043 10 10 DGCE CN(C)c1ccc(CN[C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)cc1 798491539 AORPQRUTOFJVSI-RCCFBDPRSA-N 302.462 3.438 10 10 DGCE O=C(NCc1c(O)cccc1O)c1cncc(-c2ccccc2)c1 1178912317 RWACZZDACWKFLD-UHFFFAOYSA-N 320.348 3.090 10 10 DGCE CN(CCN=[N+]=[N-])C(=O)c1ccc(Br)cc1Cl 1912171045 FVZVDKASAZBHDB-UHFFFAOYSA-N 317.574 3.485 10 10 DGCE Cc1cc(C)c(S(=O)(=O)N2CCC(CN=[N+]=[N-])CC2)s1 1912205909 QOFUGBCBNJLTRN-UHFFFAOYSA-N 314.436 3.076 10 10 DGCE CNCc1ccc(N(Cc2ccccc2)[C@H](C)CCO)c(F)c1 1915418046 IJPIXMPISRTQGU-OAHLLOKOSA-N 316.420 3.323 10 10 DGCE CCN(CCSC)c1ccc(CO)c(Br)c1 1917026739 UCCHEEWMKIMJSW-UHFFFAOYSA-N 304.253 3.131 10 10 DGCE CCCN(C)c1ccc(C(=O)NCc2cc(C)ccc2O)cc1 1453653098 UIKQDMHWWLUNII-UHFFFAOYSA-N 312.413 3.477 10 10 DGCE CCN(CC)c1ccc(CNC(=O)COCC2CCCC2)cc1 1534245600 GAWFZXUEEDGCQJ-UHFFFAOYSA-N 318.461 3.356 10 10 DGCE Cc1ccc([C@H](C)N[C@H]2C[C@@H]2NC(=O)OC(C)(C)C)c(O)c1 227551004 OWCCWSHCMGNITL-UBHSHLNASA-N 306.406 3.017 10 10 DGCE C/C=C(/C)C(=O)NC[C@@H](NCc1ccc(OC)c(C)c1)C(C)C 1715540077 TXTCYDGLUOVDGD-UBWHZCOUSA-N 318.461 3.200 10 10 DGCE COc1cccc(CNC(=O)N[C@H](C)c2ccc(F)cc2)c1O 1638813545 BKZRZFFVJPKIKP-LLVKDONJSA-N 318.348 3.100 10 10 DGCE Cc1cccc(C)c1CNC(=O)c1ccc(N=NC(N)=O)cc1 1632429185 JECCNGUMCKMFKX-UHFFFAOYSA-N 310.357 3.396 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)N[C@H]1C[C@H]2C=C[C@H]1CC2 1687696288 MLRJHSCQYDPNCM-MJVIPROJSA-N 306.793 3.200 10 10 DGCE CN(CCCN=[N+]=[N-])C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1962306200 YRQKMPPDWMPPSZ-ZDUSSCGKSA-N 311.430 3.266 10 10 DGCE CN[C@@H](c1ccccc1O)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 1936973361 GJUSVNBNYIMGEY-YJBOKZPZSA-N 320.433 3.300 10 10 DGCE CSC1CN(c2ccc([C@@H](C)N)cc2Br)C1 1939041590 HSMZGLXKZBHWQJ-MRVPVSSYSA-N 301.253 3.020 10 10 DGCE CN(C)c1ccc(CNCCC(=O)OC2CCCCC2)cc1 1857868786 BCGDGPYZFBIIDN-UHFFFAOYSA-N 304.434 3.108 10 10 DGCE C[C@H]1CCS[C@@H]1CNCc1c(O)cccc1Br 1945606684 ALEALBVXTOUDEU-TVQRCGJNSA-N 316.264 3.386 10 10 DGCE C[C@@H]1CC[C@@](CO)(NCc2cc(Cl)cc(Cl)c2O)C1 1880896801 FOOLVYNAKWCESX-YMTOWFKASA-N 304.217 3.340 10 10 DGCE C[C@H]1C[C@@H](NCc2c(O)cccc2F)CN1C(=O)OC(C)(C)C 1976861282 UIACUYDVERWPMD-NWDGAFQWSA-N 324.396 3.019 10 10 DGCE C[C@@H]1C[C@@H]([C@H](O)c2ccc(N(C)C)cc2)N1C(=O)OC(C)(C)C 1977939394 PULMKXVNWYZGED-UHOFOFEASA-N 320.433 3.184 10 10 DGCE CC[C@H](CNC(=O)OC(C)(C)C)[C@H](O)c1ccc(N(C)C)cc1 1977959141 QNQSXZWXJPWCFU-CJNGLKHVSA-N 322.449 3.337 10 10 DGCE C[C@@H]1N(c2ccc(CN)cc2Br)CCC1(F)F 2004607707 OLKTTZWCMNHWRA-QMMMGPOBSA-N 305.166 3.142 10 10 DGCE C[C@@H](N)c1ccc(N2CC(CCF)C2)cc1Br 1996950299 FRPHSDVXSGXHJU-SECBINFHSA-N 301.203 3.265 10 10 DGCE Nc1ccc(CCNC(=O)c2cccc(Br)c2)cc1 40675647 LJESFKSHBZCNBV-UHFFFAOYSA-N 319.202 3.004 10 10 DGCE CN(c1cc(Br)c(CN)cc1F)[C@@H]1[C@H]2CCC[C@H]21 2033885627 UQOJONABJSODPT-MSRIBSCDSA-N 313.214 3.282 10 10 DGCE CNCc1ccc(N2CC(CC(F)F)C2)c(Br)c1 2034856895 NFOUOHOIYQDCTL-UHFFFAOYSA-N 319.193 3.260 10 10 DGCE CN(Cc1cc(Cl)cc(Br)c1O)[C@H]1CCOC1 708133572 MCBOMNFHNGNPBB-JTQLQIEISA-N 320.614 3.029 10 10 DGCE COc1cccc(O)c1[C@H](C)N[C@@H]1COc2cc(F)ccc2C1 2064859766 KKJUYCBHGQLXSH-FZMZJTMJSA-N 317.360 3.194 10 10 DGCE CO[C@@H]1CC[C@@H](CNCc2cccc(Br)c2O)C1 2054478823 OGPXZDSFBMNKTB-ZYHUDNBSSA-N 314.223 3.059 10 10 DGCE CCNCc1ccc(N2CC=C[C@H]2CF)c(Br)c1 2082873199 IFQMXIQMEIJRKX-LBPRGKRZSA-N 313.214 3.273 10 10 DGCE COc1cccc(O)c1CNCc1ccccc1Br 2104442229 ISFYRNFUUUUWRW-UHFFFAOYSA-N 322.202 3.453 10 10 DGCE CSc1ncc(CN=c2[nH]nc(C(C)(C)C)s2)s1 2208434952 QTBNPMTYLFGYCZ-UHFFFAOYSA-N 300.478 3.048 10 10 DGCE COc1ccc(Br)c(CN[C@H]2C[C@](C)(F)C2)c1O 2220463139 WUPKXYKTIWDQOX-XCSCGOTBSA-N 318.186 3.144 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)c2cc(Cl)cnc2Cl)C1 2228450941 NPAXYWZPUAUQKT-QMMMGPOBSA-N 300.149 3.303 10 10 DGCE CC(=C1SC(N2C[C@H](C)O[C@H](C)C2)=NC1=O)c1ccccc1 2293618980 NWIBIQZUFDWWQW-TXEJJXNPSA-N 316.426 3.156 10 10 DGCE C[C@@H]1CN(C(=O)C=Cc2cncc(F)c2)c2ccc(F)cc2O1 2297666873 PQFXSKJCVJFPDK-LLVKDONJSA-N 316.307 3.187 10 10 DGCE O=C(O)[C@]1(Sc2nccs2)CCC[C@@H]2CSC[C@H]21 2326903462 JHWWZYXTBUUHCO-LNLATYFQSA-N 301.458 3.222 10 10 DGCE c1cn(-c2ccc(CNCc3ccc4c(c3)CCO4)cc2)cn1 66876415 XFLIUYDFSPKHGA-UHFFFAOYSA-N 305.381 3.097 10 10 DGCE Cc1cc(C)c(NC(=O)Nc2cc(O)c(O)c(O)c2)c(C)c1 217278718 UDQUVSWHPCWASX-UHFFFAOYSA-N 302.330 3.373 10 10 DGCE CCN(CC)c1ccc(CN2[C@@H]3CC[C@@H]2CC(O)C3)cc1F 126633427 KZEYFDDNIQJPAO-HUUCEWRRSA-N 306.425 3.160 10 10 DGCE CC[C@@H](CSC)N[C@H](C)c1ccc(N2CCOCC2)cc1 183525131 VULVQMMTYVCTLC-ZBFHGGJFSA-N 308.491 3.315 10 10 DGCE CN(C)C(=O)c1ccc(Cl)cc1NCc1ccccc1O 37123328 NODCPKAZSUCDKG-UHFFFAOYSA-N 304.777 3.360 10 10 DGCE CN(C)c1ccc([C@H](N)Cc2ccc(Br)cn2)cc1 97416375 RSMZZZUDBWNFBY-OAHLLOKOSA-N 320.234 3.153 10 10 DGCE Cc1cc(C)cc(C[S@](=O)CCOc2ccc(N)cc2)c1 94718931 FBMUZKNQNPXFMT-NRFANRHFSA-N 303.427 3.213 10 10 DGCE COCCN(C)c1ccc(CNC(C)C)c(Br)c1 234625063 BWHQRATTYKIDDW-UHFFFAOYSA-N 315.255 3.030 10 10 DGCE Cn1nccc1C1=CCN(Cc2c(O)ccc(Cl)c2F)CC1 377707463 VQIGYSNLLRRUBL-UHFFFAOYSA-N 321.783 3.208 10 10 DGCE COc1ccc(N2CCC(N[C@@H]3CCCC3(F)F)CC2)cc1 806180209 MJRJMHPUQNZVOM-MRXNPFEDSA-N 310.388 3.441 10 10 DGCE CO[C@H](C)[C@@H](C)N[C@H](C)c1cc(Br)ccc1O 290196499 OTKRFVYHYHAMON-OPRDCNLKSA-N 302.212 3.229 10 10 DGCE CC[C@H](C)[C@@H](c1ccc(N2CCCC2)cc1)N1CCNCC1 575289496 ZTCWVOJZIWAEGL-LPHOPBHVSA-N 301.478 3.279 10 10 DGCE CCCn1cc([C@@H](C)NCc2ccc(N(CC)CC)cc2)nn1 902755838 UJENPJYJLUZTAY-OAHLLOKOSA-N 315.465 3.385 10 10 DGCE Cc1cc(O)c(CN2CCN(C(=O)C(C)(C)C)CC2)c(Cl)c1 840909795 HNCWXAOLSSRBED-UHFFFAOYSA-N 324.852 3.044 10 10 DGCE CN(C)c1ccc(CN[C@@H](C2CC2)[C@@H]2CCCOC2)cc1F 922899002 VLVJUQOEJDKLPN-QAPCUYQASA-N 306.425 3.187 10 10 DGCE O=C(CCc1ccccc1O)NCc1cc(Cl)ccc1O 857547629 NDNVLVFDSUHDRE-UHFFFAOYSA-N 305.761 3.000 10 10 DGCE CCOc1ccc(CN2CCO[C@@H](c3cccs3)C2)c(O)c1 769146523 IIRIGYFPKQBCNO-MRXNPFEDSA-N 319.426 3.426 10 10 DGCE C[C@@H](NCC[C@@H](O)C(F)F)c1cc(Cl)c(Cl)cc1O 866442677 QKJZWDRGRRXDRU-LHLIQPBNSA-N 314.159 3.366 10 10 DGCE C[C@H](c1ccc(F)cc1O)N(Cc1ccccc1)C1CNC1 1958648168 GQYADVHZOMBFHZ-CYBMUJFWSA-N 300.377 3.066 10 10 DGCE COc1cc(C)cc(CNCc2c(C3CCC3)cnn2C)c1O 895278816 DBJDFAGVIILJIT-UHFFFAOYSA-N 315.417 3.000 10 10 DGCE O=C(c1cc2cc(O)c(O)cc2s1)N1CCCC(F)(F)C1 898270726 XEFPLIANBYDWEN-UHFFFAOYSA-N 313.325 3.184 10 10 DGCE COc1cc(Br)cc(CN2CC[C@@H]2C(F)F)c1O 895434962 FIOIXZLYXAFWLT-SECBINFHSA-N 322.149 3.003 10 10 DGCE Cc1c(CN(C)Cc2cc(Cl)cc(Cl)c2O)cnn1C 790938210 QKHVZUHXPMVRIA-UHFFFAOYSA-N 314.216 3.373 10 10 DGCE COc1cccc2cc(C(=O)NCc3cc(C)ccc3O)oc12 1167291024 QURAKIDUXBORKA-UHFFFAOYSA-N 311.337 3.385 10 10 DGCE Cc1ccc(O)c(CNC(=O)NCc2ccc(C)c(F)c2)c1 1251221910 ZOUQNHXUCQHCDN-UHFFFAOYSA-N 302.349 3.148 10 10 DGCE C[C@@H](C(=O)O)N(Cc1ccccc1)[C@H](C)c1c(O)cccc1O 1902362679 FOVWHCFQOXPBAV-OLZOCXBDSA-N 315.369 3.134 10 10 DGCE CN(C)c1ccc(CNC(=O)c2ccc3c(c2)OC(C)(C)C3)cc1 1264261618 AHAHUPOQAIXMKR-UHFFFAOYSA-N 324.424 3.396 10 10 DGCE C[C@H](N[C@H](C)C(=O)Nc1ccc(F)cc1F)c1ccccc1O 1197004412 QVWBZTPJYPNPIB-WDEREUQCSA-N 320.339 3.348 10 10 DGCE CN(CCCN=[N+]=[N-])C(=O)Cc1ccc(Br)cc1 1912191055 MPPODUOLKDETSL-UHFFFAOYSA-N 311.183 3.150 10 10 DGCE CCN1C(=O)N/C(=C\c2cc(C)n(Cc3ccccc3)c2C)C1=O 479694 DREXTYSOGXHOAL-BOPFTXTBSA-N 323.396 3.066 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)NC1C[C@H]2CC[C@H](C1)C2 1479407602 MSGIVNYEKOGAJJ-QWRGUYRKSA-N 308.809 3.424 10 10 DGCE Cc1nc(NC(=O)c2ccc(N=NC(N)=O)cc2)sc1C 1542950249 GZKOICLDEVXOOY-UHFFFAOYSA-N 303.347 3.175 10 10 DGCE Cc1cccc(-n2c(C)cc(CNC(=O)c3cnccn3)c2C)c1 1624070474 SNNXLLFXNCJNIO-UHFFFAOYSA-N 320.396 3.123 10 10 DGCE C[C@H]1CCC[C@@H](C)N1NC(=O)c1cc2cc(O)c(O)cc2s1 1623801185 TWSIMXUMFCZCAM-AOOOYVTPSA-N 320.414 3.220 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[C@H](N)c1ccccc1O 1928476064 FUZCLZFWBXDYSL-LNSITVRQSA-N 306.406 3.085 10 10 DGCE COc1ccc(CN[C@@](C)(CO)Cc2ccccc2F)cc1C 1560183083 KWCKYLYQCVLGFQ-LJQANCHMSA-N 317.404 3.226 10 10 DGCE C[C@@H]1CC(=O)CC[C@H]1C(=O)NCc1c(O)ccc2ccccc12 1635965317 VNASLQHOCCZDOT-IUODEOHRSA-N 311.381 3.167 10 10 DGCE CSc1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1C 1631776390 DKFXITPDXDBYAW-UHFFFAOYSA-N 303.383 3.309 10 10 DGCE COc1ccc(CNC[C@@H](NC(=O)CC(C)C)C2CC2)cc1C 1569293137 UULBIRLMHUYEDG-QGZVFWFLSA-N 318.461 3.034 10 10 DGCE COC(=O)c1cc(OCc2ccc(F)cc2)ccc1N(C)C 1644178587 FZWUNGXMLPDNJQ-UHFFFAOYSA-N 303.333 3.257 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)Nc2cc(CO)ccn2)cc1 1643259144 MOVDFKHESBPAKT-UHFFFAOYSA-N 321.380 3.234 10 10 DGCE CCC[C@H](Cc1ccccc1)NC(=O)c1c(F)ccc(O)c1O 1654285889 DECSBTGXSQBOCP-CYBMUJFWSA-N 317.360 3.378 10 10 DGCE Cc1nccnc1N(C)C(=O)c1ccc(-n2c(C)ccc2C)cc1 1583711042 OCWMVTTXCPHEKB-UHFFFAOYSA-N 320.396 3.469 10 10 DGCE O=C(NCc1ccc(O)c(O)c1)[C@H]1C[C@H]1c1ccc(Cl)cc1 159102134 OMLWHLXMJGIFFW-KBPBESRZSA-N 317.772 3.171 10 10 DGCE CNC1C[C@@H]2CC[C@H](C1)N2Cc1cc(Cl)cc(Cl)c1O 1275270967 ICMZCHPDSUCIIC-YHWZYXNKSA-N 315.244 3.414 10 10 DGCE COc1ccc(Br)c(CNC2C[C@@H]3C[C@H]3C2)c1O 1967754085 ZKVLJLLODGJDPH-IUCAKERBSA-N 312.207 3.051 10 10 DGCE Oc1c(Br)cc(Cl)cc1CNC1[C@H]2CC[C@H]12 1976582646 PXSQVZYHRNTHBF-IUCAKERBSA-N 302.599 3.306 10 10 DGCE Cc1cccc(O)c1CNC[C@@H]1CCCN1C(=O)OC(C)(C)C 1976875719 NYDZNYKOTWBQEE-AWEZNQCLSA-N 320.433 3.190 10 10 DGCE CCN1CCC[C@@H](NCc2cc(Cl)cc(Cl)c2O)C1 40502302 DHMORZTZBIZDRT-GFCCVEGCSA-N 303.233 3.273 10 10 DGCE CNCc1ccc(N(C)[C@@H](C)C(F)F)cc1Br 2009011372 CRNVJCCRRCFVQK-QMMMGPOBSA-N 307.182 3.258 10 10 DGCE CC[C@H]1CN(c2cc(Cl)c(CN)cc2F)[C@H](CC)CO1 2177381714 QDRHPPIOKAVHRG-NEPJUHHUSA-N 300.805 3.332 10 10 DGCE CN(C[C@H]1CCCS1)c1ccc(CN)cc1C(F)(F)F 718228678 AOAPVMCLZBQZMB-LLVKDONJSA-N 304.381 3.496 10 10 DGCE CC(C)OCCCN(C)c1ccc(CN)c(Br)c1 394856038 NNYRZYUZFIQOIA-UHFFFAOYSA-N 315.255 3.159 10 10 DGCE Oc1ccc(-n2nc(Br)cc2CC2CCC2)cc1O 2069982345 RKKQQLIWKACNSH-UHFFFAOYSA-N 323.190 3.389 10 10 DGCE Cc1cccc([C@@H](C)n2nc(C3CC3)cc2C(=O)N(C)C)c1O 2070091933 OXRXINPGYKZCEK-GFCCVEGCSA-N 313.401 3.086 10 10 DGCE CC[C@@H]1[C@H](Sc2nccs2)CC[C@@]1(NC(C)C)C(=O)O 2179114913 QPAUKNOPBVALBK-GYSYKLTISA-N 314.476 3.245 10 10 DGCE C[C@@H]1CO[C@H](CN(C)Cc2c(O)cccc2Br)C1 2047491323 OAMIEBVRQIGKNP-QWRGUYRKSA-N 314.223 3.012 10 10 DGCE CN1CCCc2cc(CNCC/C=C/Br)ccc21 2051148344 UBWPTOREJMZKAI-KRXBUXKQSA-N 309.251 3.457 10 10 DGCE C[C@@H](Nc1ncc(N)cc1Br)c1ccccc1O 2072484548 PYQOSUKBWIAKTA-MRVPVSSYSA-N 308.179 3.305 10 10 DGCE Cc1cc(O)c([C@@H](C)N(C)C[C@]2(F)CCOC2)cc1Cl 2286446124 XGIFFQRDGLBZQC-IAQYHMDHSA-N 301.789 3.475 10 10 DGCE CCOC(=O)C1CCN(N=Nc2cccc(C(C)=O)c2)CC1 2330202931 ARVFRNYSNZIMCD-UHFFFAOYSA-N 303.362 3.163 10 10 DGCE CCC1=NN(Cc2ccc(F)cc2)C(=O)C1=Cc1cccnc1 2332128724 WIUQZLXIGYOSGJ-UHFFFAOYSA-N 309.344 3.413 10 10 DGCE COc1cccc(O)c1CNc1cc(O)ccc1Br 2344221686 MSTGZHFLRWAOFD-UHFFFAOYSA-N 324.174 3.481 10 10 DGCE COc1ccc(O)c(CNC(=O)Nc2cnc3ccccc3c2)c1 172019401 LOAVQWLPAPHGQC-UHFFFAOYSA-N 323.352 3.271 10 10 DGCE O=Cc1ccc(I)c2c(O)csc12 307130442 GBWCBLWYLTYGET-UHFFFAOYSA-N 304.108 3.024 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@H](C)Cc2c(C)nn(C)c2C)c1 185559225 UZWOVWSSAXFIEX-NEPJUHHUSA-N 317.433 3.033 10 10 DGCE Cc1cncc(/C=C/C(=O)N2C[C@H](C)Oc3c(F)cccc32)c1 185589881 YTMXYVKHGONMPU-YBJDMEARSA-N 312.344 3.356 10 10 DGCE CC(C)c1nc2n(n1)CCC[C@H]2N[C@H](C)c1ccc(F)cc1O 185683954 JAYPRKSLQLJLFR-BXUZGUMPSA-N 318.396 3.432 10 10 DGCE COc1ccccc1[C@H](O)CN[C@H](C)c1ccc(N(C)C)cc1 130487166 WUYWUEFUSDNYGN-RDTXWAMCSA-N 314.429 3.145 10 10 DGCE Cc1cccc([C@@H]2[C@@H](N)CCCN2C(=O)OC(C)(C)C)c1O 1952606379 DIQMWSQNNUOGLT-UONOGXRCSA-N 306.406 3.100 10 10 DGCE Cc1ccc([C@H](C)NC(=O)CCOc2ccc(N)cc2)s1 49149391 HODHCHRHEGXZBT-LBPRGKRZSA-N 304.415 3.285 10 10 DGCE C[C@H](N)c1ccc(N2CC[C@@H](OCc3ccccc3)C2)cc1O 384110362 IAWMLUVFPFQDJC-WMLDXEAASA-N 312.413 3.207 10 10 DGCE COc1ccc(CN2C[C@H](C)O[C@@H](c3ccsc3)C2)c(O)c1 93769119 QQVNGRONYUBBQB-YVEFUNNKSA-N 319.426 3.424 10 10 DGCE C[C@@H]1CN(c2ccc(N)cc2)C[C@H]1CCNC(=O)OC(C)(C)C 1894530244 CTGJDFKUNFEHDV-ZIAGYGMSSA-N 319.449 3.256 10 10 DGCE Cc1cc(O)c([C@@H]2CNCCCN2C(=O)OC(C)(C)C)cc1C 1953030214 AEBBZIQCYCWRHJ-HNNXBMFYSA-N 320.433 3.281 10 10 DGCE CCOc1ccc(O)c(CN[C@H]2CCCc3nc(O)ccc32)c1 263647646 CKUDRNGLORWQBJ-HNNXBMFYSA-N 314.385 3.059 10 10 DGCE CN(Cc1ccoc1)c1cc(Br)c(CN)cc1F 385099928 MHFBHAZKTOZUSO-UHFFFAOYSA-N 313.170 3.276 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCCC12CC2 625916166 MFIWXMGDRZJDID-AWEZNQCLSA-N 300.402 3.058 10 10 DGCE COc1cc(O)c(CN2CC3C[C@H]4CC2C[C@@H](C3)C4)cc1OC 271101840 PPCSLBYJGDTRFH-KKNUOHPOSA-N 317.429 3.420 10 10 DGCE CC(C)C(C)(C)C(=O)NCc1cc(Br)ccc1O 804739604 LKGQFTHTFYRKKN-UHFFFAOYSA-N 314.223 3.453 10 10 DGCE COC(=O)Cc1sc2cc(Br)ccc2c1O 396270099 HJFLUCHKBQADOJ-UHFFFAOYSA-N 301.161 3.085 10 10 DGCE COc1cc(Cl)cc(CNC[C@@H](C)c2ccccn2)c1O 826802342 DTRRNQISELEFFX-LLVKDONJSA-N 306.793 3.343 10 10 DGCE Cc1cc(Br)cc(CN2CC3(CC(F)C3)C2)c1O 839140510 RJEOMPRXDSCRFI-UHFFFAOYSA-N 314.198 3.397 10 10 DGCE CO[C@@H]1[C@H]2C[C@@H]3CN(C/C=C/c4ccc(N(C)C)cc4)[C@H]1[C@H]3C2 835053136 SVMHQLDIRDEQFM-MXELXNOISA-N 312.457 3.121 10 10 DGCE COC[C@@H](CC(C)(C)C)N[C@H](C)c1cc(C(=O)OC)ccc1O 848564235 KDQHBDXJNSMONL-TZMCWYRMSA-N 323.433 3.281 10 10 DGCE Cc1cccc(CN[C@H]2CCN(c3ccc(F)cc3)C2)c1O 840978180 PXXRLROBZPXFAA-INIZCTEOSA-N 300.377 3.208 10 10 DGCE CCCN(CCC)c1ccc(CN[C@@H](C(=O)O)C2CC2)cc1 841809032 ROKRSGGDLAZQGQ-QGZVFWFLSA-N 304.434 3.266 10 10 DGCE C[C@@H]1CN(C(=O)Cc2ccc(N)cc2)CCc2ccc(F)cc21 846701105 QYYQOCGJFAVSRD-CYBMUJFWSA-N 312.388 3.139 10 10 DGCE CN(C)c1ccc(CN[C@@H]2CCNC[C@H]2C2CCCC2)cc1 925512035 YQVYUAMUFUTSMA-RBUKOAKNSA-N 301.478 3.011 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)N[C@H](C)C(C)(C)C)C2)cc1 852401620 VMIVDYCXMUUEQT-ZIAGYGMSSA-N 319.449 3.008 10 10 DGCE [N-]=[N+]=NCCCCCCCCCC(=O)N1CCC[C@@H]1C(=O)O 757146073 QICVYWXDMHNURI-CYBMUJFWSA-N 310.398 3.493 10 10 DGCE COc1ccc(N2CC[C@@H](CN[C@H]3CCCSCC3)C2)cc1 850473986 HAVHUXLAJMRTBV-HOTGVXAUSA-N 320.502 3.397 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)/C=C/C3CCCC3)C2)cc1 855226764 UBHBACCCMREKQM-RFKZRZAASA-N 314.429 3.137 10 10 DGCE COc1cc(CN2CCC[C@]3(CCCOC3)C2)c(O)cc1C 768464173 OAGUOJVDMFJPRA-SFHVURJKSA-N 305.418 3.102 10 10 DGCE COc1cc(Cl)cc(CN2CCC[C@@H](OC(F)F)C2)c1O 761213501 AFHDHQLWCWLJOC-LLVKDONJSA-N 321.751 3.258 10 10 DGCE Cc1ccc(CC[C@@H](C)NC(=O)/C=C/c2ccc(O)c(O)c2)o1 779523446 BZJIUMWYNHOWEP-GCZGVDRJSA-N 315.369 3.150 10 10 DGCE CCC(CC)(C(=O)NCc1cccc(O)c1O)c1ccccc1 1123978990 YZIDWQAXCUVPNP-UHFFFAOYSA-N 313.397 3.472 10 10 DGCE COc1ccc(N(C)C(=O)/C(C)=C/c2cccnc2)cc1OC 1125533376 DNUXNYYPLUQHBJ-JLHYYAGUSA-N 312.369 3.165 10 10 DGCE COc1cc(C)cc(CN2CCC3(CCC(O)CC3)CC2)c1O 894870317 KBQXZYBYIGXVOI-UHFFFAOYSA-N 319.445 3.226 10 10 DGCE C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NCc1ccccc1O 716173108 GYTBWJLNKHIPPD-VQIMIIECSA-N 310.441 3.392 10 10 DGCE CO[C@@H]1CN(Cc2ccc(Br)cc2O)CC[C@@H]1C 691679491 SEFGXKSTJGWWJK-IINYFYTJSA-N 314.223 3.012 10 10 DGCE CN1CCCc2cc(CNC(=O)c3cc4c(o3)CCCC4)ccc21 1142465893 VRDFZBZJKRCCLM-UHFFFAOYSA-N 324.424 3.471 10 10 DGCE C[C@H](NCCOCCCO)c1ccc(N2CCCCCC2)cc1 1340992348 QSMGXMPJJKLUMD-KRWDZBQOSA-N 320.477 3.117 10 10 DGCE C[C@@H](O)CN(Cc1ccccc1)c1ccc([C@@H](C)O)cc1F 1914611726 VYNVRRLSAPSNSE-ZIAGYGMSSA-N 303.377 3.266 10 10 DGCE CCCC[C@H](O)CCC(=O)N(CCC)Cc1ccccc1O 1465846574 WBHRXWHFTSRFSJ-INIZCTEOSA-N 307.434 3.462 10 10 DGCE C[C@@H]1C[C@](O)([C@H](N)c2ccccc2O)c2ccsc2S1 1920354748 JFOHWQWHOSEDJV-XXLQHYSLSA-N 307.440 3.226 10 10 DGCE Cc1ccc(O)c(CNC(=O)/C=C\c2ccc(Cl)nc2)c1 1470257715 LBWCNSDACDWAKX-DAXSKMNVSA-N 302.761 3.079 10 10 DGCE CN(C)c1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc1 1540165709 YCSCPCQTTKWGGP-UHFFFAOYSA-N 311.345 3.167 10 10 DGCE O=C(CCOc1ccc(Cl)c(F)c1)NCc1ccccc1O 1622772986 QSYDYYPRNZHAKY-UHFFFAOYSA-N 323.751 3.270 10 10 DGCE C/C(=C/c1ccc(Cl)cc1)C(=O)NCc1ccc(O)cc1O 1638352687 UIVROYUEWPPTRF-FLIBITNWSA-N 317.772 3.471 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)c2cc(Cl)ccc2N)c1 1566374383 GWKMZGBLVAJQJR-VIFPVBQESA-N 320.776 3.127 10 10 DGCE CC(=O)c1ccc(N(C)C(=O)/C=C\c2cnc(C)s2)cc1 1583376116 HSYKXENDSOHCEM-HJWRWDBZSA-N 300.383 3.330 10 10 DGCE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(CCCCN=[N+]=[N-])C1 1962301713 WJWFPYDHYQHWDE-CHWSQXEVSA-N 311.430 3.312 10 10 DGCE C[C@@H](Oc1ccc(N)cc1)C(=O)Nc1cccc2cccnc12 1860078211 IDVMMKSQYBNRPD-GFCCVEGCSA-N 307.353 3.223 10 10 DGCE CC(C)OCCCN=NNc1ccc(N2CCN(C)CC2)cc1 1860492616 BKOBOGZDCDPXLI-UHFFFAOYSA-N 319.453 3.033 10 10 DGCE CN(C)c1cccc(NC(=O)c2ccc3c(c2)OCCCO3)c1 1874060812 LVNJOJTXWGPABM-UHFFFAOYSA-N 312.369 3.166 10 10 DGCE CCCn1cncc1CNCc1c(O)cccc1Br 1964606720 QCTDPKVRBJCCNG-UHFFFAOYSA-N 324.222 3.051 10 10 DGCE C[C@H](NCc1cc(Br)cc(F)c1O)c1ccon1 1965948303 XCBDVDRKBNHNJA-ZETCQYMHSA-N 315.142 3.133 10 10 DGCE Oc1ccc(Br)cc1CN[C@@H]1CC[C@H]2[C@@H]1C2(F)F 1967819837 MPGXVXZBADHUTO-UMNHJUIQSA-N 318.161 3.288 10 10 DGCE COc1cc2c(cc1OC)N(Cc1scnc1Cl)CC2 1970281248 MZKRMFBFTIZLSD-UHFFFAOYSA-N 310.806 3.376 10 10 DGCE CN(C(=O)CSCc1ccc(Cl)o1)c1ccc(N)cc1 2145627910 FUPTWGIBCHXGRV-UHFFFAOYSA-N 310.806 3.411 10 10 DGCE CN(c1ccc(CN)cc1Br)C1CC(CF)C1 2006489406 HMVUBQZXBPCNNW-UHFFFAOYSA-N 301.203 3.092 10 10 DGCE C[C@@H]1CN(c2ccc(N)cc2)C(C)(C)CN1C(=O)OC(C)(C)C 1977960407 LGKNMWKIYLWYAO-CYBMUJFWSA-N 319.449 3.493 10 10 DGCE C[C@H](CCN(C)C(=O)OC(C)(C)C)N(C)Cc1ccc(N)cc1 1980080773 QSSIUKXVSSEWJX-CQSZACIVSA-N 321.465 3.346 10 10 DGCE C[C@H]1CCCC[C@H]1S(=O)(=O)Nc1ccc(O)c(Cl)c1 407404096 FQTDYQREXHHYIM-TVQRCGJNSA-N 303.811 3.366 10 10 DGCE CN(C[C@@H]1OCCC1(C)C)c1cc(Cl)c(CN)cc1F 2177381615 PCDAREZKBPMYFN-AWEZNQCLSA-N 300.805 3.189 10 10 DGCE C[C@@H](O)c1ccc(N(C)[C@H]2COCCC2(F)F)c(Cl)c1 2168228071 QMLXCUSMXWGEEV-RNCFNFMXSA-N 305.752 3.254 10 10 DGCE Cn1ncc2cc(CNCc3cccc(Cl)c3O)sc21 2175261105 UWKXFFCMEWGBOR-UHFFFAOYSA-N 307.806 3.284 10 10 DGCE Cc1cc(NS(=O)(=O)[C@H]2CCCC[C@@H]2F)c(C)cc1O 2175531419 NEMIXFUQZQNAAG-FZMZJTMJSA-N 301.383 3.031 10 10 DGCE CC[C@@H](c1ccc(C)cc1O)n1nc(C2CCC2)c(CO)c1N 2079015438 USPIHMVJGNDWGI-HNNXBMFYSA-N 315.417 3.239 10 10 DGCE CCN[C@H](C)c1ccc(N2CCOC[C@@H]2CF)cc1Cl 2182605689 OJOODNYZASFSTB-YPMHNXCESA-N 300.805 3.185 10 10 DGCE CC[C@@H](COC)N(C)Cc1cc(Br)cc(F)c1O 2047296553 FIYOSOJORPRSKZ-NSHDSACASA-N 320.202 3.151 10 10 DGCE CNCc1ccc(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@@H]32)cc1Br 2053741542 OOUVVIWBBSHYEA-NHULGOKLSA-N 307.235 3.013 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNCC1CC2(CC[C@@H]2O)C1 2195371474 WCTQSHPMASIGJO-MEXZMNCTSA-N 316.228 3.340 10 10 DGCE Cc1cnccc1CN(C)c1ccc(CO)c(Br)c1 2110635467 XPNSRSIZGRIWFE-UHFFFAOYSA-N 321.218 3.281 10 10 DGCE COc1ccc(N2CCCC[C@H]2C(F)(F)CN)cc1Cl 2202993445 VXAIOOIYXGWHEB-ZDUSSCGKSA-N 304.768 3.302 10 10 DGCE COc1ccc(OC)c(C2=CC(=Cc3ccc(O)cc3)C(=O)O2)c1 2297322362 VVQGYBUQMQYROQ-UHFFFAOYSA-N 324.332 3.391 10 10 DGCE COc1ccc(N2CC[C@H](C[C@H](C)NCC(F)(F)F)C2)cc1 107937934 BIXYCBZJNJBGIH-QWHCGFSZSA-N 316.367 3.452 10 10 DGCE CC(C)(C)C1(C)OC(=O)C(=Cc2cc(Cl)ccc2O)C(=O)O1 58834349 ZPGBOSDRDYKGKK-UHFFFAOYSA-N 324.760 3.291 10 10 DGCE Cc1ccccc1-n1c(C)cc(C(=O)N[C@@H]2CCCOC2)c1C 170936859 BDBNMHNKEYQGAQ-MRXNPFEDSA-N 312.413 3.311 10 10 DGCE Cc1nc(C)c([C@@H](C)NCc2cc(Br)ccc2O)[nH]1 1893353177 NDODHWINQIJYCQ-MRVPVSSYSA-N 324.222 3.345 10 10 DGCE CCS[C@H]1CC[C@H](N(C)Cc2cc([N+](=O)[O-])ccc2O)C1 173870694 CTKPLPZKLHPUHW-JSGCOSHPSA-N 310.419 3.406 10 10 DGCE Nc1ccc(C[S@@](=O)c2ccccc2Br)cc1 42372895 FCAPGGXQILNMHN-KRWDZBQOSA-N 310.216 3.339 10 10 DGCE CC[C@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2O)[C@H](C)CO1 403825910 MMHOTISPYQMPAT-YGRLFVJLSA-N 311.809 3.248 10 10 DGCE Cc1nn(C)c(C)c1C[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1 120553266 LENAHEOKSJCDNK-UONOGXRCSA-N 314.477 3.385 10 10 DGCE CSc1cccc(NC(=O)CCOc2ccc(N)cc2)c1 40296179 JERQIKOYPMRMNX-UHFFFAOYSA-N 302.399 3.398 10 10 DGCE Nc1ccc(OCCC(=O)Nc2nc(C3CC3)cs2)cc1 49234197 LRBKHHDELZSLOI-UHFFFAOYSA-N 303.387 3.010 10 10 DGCE Cc1ccccc1S(=O)(=O)N(C)[C@H](C)c1ccccc1O 88715994 WQNMWXBCGHBHRX-CYBMUJFWSA-N 305.399 3.082 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H]1CCCC1=O 194124684 CDNOFFLWEAFLIG-CYBMUJFWSA-N 316.426 3.255 10 10 DGCE COc1ccnc(CSc2ncc(C(C)=O)s2)c1OC 2370413258 MXWLLGZLDOQLCD-UHFFFAOYSA-N 310.400 3.050 10 10 DGCE CC[C@H]1CN(c2ccc([C@@H](C)N)c(Br)c2)CCO1 234123273 NUXDZSZKJQPUCK-PWSUYJOCSA-N 313.239 3.084 10 10 DGCE N[C@@H](CC(F)(F)F)c1c(Br)ccc(F)c1O 95706410 VOLYYQJCTWHBDD-LURJTMIESA-N 302.065 3.246 10 10 DGCE CC(C)CC[C@H](N)c1cccc(I)c1O 95769568 JZBAHAYZNJUHAM-NSHDSACASA-N 319.186 3.433 10 10 DGCE CCN(CC)c1ccc(CN2CCC([C@H](C)O)CC2)cc1F 92969842 JHTYUMPNHYXVQG-AWEZNQCLSA-N 308.441 3.265 10 10 DGCE CN(C)C1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 91669362 FDUBZCHZAIECLY-UHFFFAOYSA-N 301.478 3.203 10 10 DGCE Oc1ccc(Cl)cc1CN[C@H](c1ccccc1)c1nc[nH]n1 369019829 RTBYIJTYPBPFBS-OAHLLOKOSA-N 314.776 3.043 10 10 DGCE Cc1cc(Cl)cc(CN2CCC[C@H]3CN(C)CC[C@@H]32)c1O 809767951 YXBTYOWFAHCKMS-BBRMVZONSA-N 308.853 3.270 10 10 DGCE CC(=O)C(=O)COC(=O)C(C)(C)c1ccc(-c2ccccc2)cc1 808529493 FWEBUARCRZNXNR-UHFFFAOYSA-N 324.376 3.333 10 10 DGCE COC(OC)c1ccc(F)c(CNCc2ccccc2O)c1 818191013 NOBFSWASGSPQKX-UHFFFAOYSA-N 305.349 3.113 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1C[C@@H]1C1CCCC1 649788738 DWWCSNMSDYMBPV-CVEARBPZSA-N 314.429 3.304 10 10 DGCE Cc1cc(O)c(CNCc2cccnc2N(C)C)cc1Cl 825113801 KNTFOAKWRHNROQ-UHFFFAOYSA-N 305.809 3.105 10 10 DGCE CCOc1ccc(O)c(CNC[C@]2(C)CC2(Cl)Cl)c1 824764895 DYFDVTPEWXRAHT-ZDUSSCGKSA-N 304.217 3.464 10 10 DGCE Nc1ccc(CCNC(=O)N[C@@H](C2CCCC2)C2CCC2)cc1 831177703 AEVJKKIKJHKSSI-SFHVURJKSA-N 315.461 3.469 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@]2(C)CCO[C@H]2C2CC2)cc1 835047308 FWWDAOOWLSDBNR-WWAPKCSDSA-N 300.446 3.313 10 10 DGCE Cc1csc(CCNC/C=C/c2ccc(N(C)C)cc2)n1 835035821 KWVNABHDYIJSSS-SNAWJCMRSA-N 301.459 3.363 10 10 DGCE CN(Cc1cc2c(cc1O)CCC2)C[C@@]1(O)CCc2ccccc21 842623275 LHSGKHBVLRDHGC-NRFANRHFSA-N 323.436 3.147 10 10 DGCE Cc1ccc(CCC(=O)N(C)Cc2ccc(N(C)C)cc2)o1 746582369 AHBDMGKMRFQDIM-UHFFFAOYSA-N 300.402 3.245 10 10 DGCE CN(c1ccc(OCc2ccccc2)cc1)[C@@H]1CNCC12CC2 1899893797 ROKACGZRCWQCNK-LJQANCHMSA-N 308.425 3.454 10 10 DGCE COc1ccc(O)c(CNCc2cn(C)nc2C2CCCC2)c1 921740001 BWDNBOYTIBLQOO-UHFFFAOYSA-N 315.417 3.082 10 10 DGCE COc1cc(CN[C@@H]2CCCC[C@@H]2O)c(O)c(C(C)(C)C)c1 850135905 SIJORGXGLNNFNP-CVEARBPZSA-N 307.434 3.091 10 10 DGCE COc1ccc(N2CC[C@@H](NCc3ccc(F)cc3F)C2)cc1 850345601 FVSUVICFHBGTCG-OAHLLOKOSA-N 318.367 3.342 10 10 DGCE COc1ccnc(CN[C@H]2C[C@@H](C)c3c(F)ccc(O)c32)c1F 850537007 LSPLDQTXQPUVNK-KOLCDFICSA-N 320.339 3.412 10 10 DGCE C[C@H](N[C@H](c1cccnc1)C1CC1)c1cc([N+](=O)[O-])ccc1O 756786054 WYSPXGBOCUJRHD-GTNSWQLSSA-N 313.357 3.497 10 10 DGCE CO[C@@H](C(=O)NCc1cc(Cl)ccc1O)C1CCCCC1 855023205 UVXKFLGGOCBVAZ-OAHLLOKOSA-N 311.809 3.257 10 10 DGCE C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)C1CC(F)(F)C1 862419235 WRFRUOBKPCHQSN-CYBMUJFWSA-N 324.415 3.171 10 10 DGCE CC(C)(C)c1cnc(SCc2nnnn2C(C)(C)C)s1 766043155 ASURRTPPIPRRBG-UHFFFAOYSA-N 311.480 3.474 10 10 DGCE Cc1cccnc1CCCNC(=O)N[C@@H](C)c1ccccc1O 868670059 CBBXVIMGSRWHKY-AWEZNQCLSA-N 313.401 3.089 10 10 DGCE C[C@H](NC(=O)NC[C@@H](C)Oc1ccccc1)c1ccccc1O 868253057 LUMDVFCTQYHQPN-KGLIPLIRSA-N 314.385 3.220 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1Nc1c(N)cccc1F 1959373838 NZNBYCPBUNWZRZ-QWHCGFSZSA-N 309.385 3.266 10 10 DGCE Cn1nc(-c2ccsc2)cc1NC(=O)c1cc(O)cs1 787928502 VJSPMLJGKYLKQH-UHFFFAOYSA-N 305.384 3.168 10 10 DGCE CON(CCCN[C@@H](C)c1ccccc1O)C(=O)OC(C)(C)C 694673726 NHERAHPLCJHYMR-ZDUSSCGKSA-N 324.421 3.231 10 10 DGCE CCSc1ccccc1C(=O)NCc1cc(O)ccc1O 1153879898 YXTOVFDICJWPPJ-UHFFFAOYSA-N 303.383 3.140 10 10 DGCE C[C@@H](Oc1ccc(F)cc1)C(=O)NCc1cc(Cl)ccc1O 1165497868 IVSMVLRWKHGDJQ-SNVBAGLBSA-N 323.751 3.268 10 10 DGCE CC[C@H](N=c1[nH]n(CC)cc1Br)c1ccccc1O 2124742074 UYVUFTZHROALRS-LBPRGKRZSA-N 324.222 3.356 10 10 DGCE CC(C)NCc1ccc(N2CC(F)(F)C2)c(Br)c1 1917004188 COTVJFJVYFBOSP-UHFFFAOYSA-N 319.193 3.402 10 10 DGCE Cc1oc2ccccc2c1CNC(=O)c1c(F)ccc(O)c1O 1457738139 JIYLDIAWZPSXJA-UHFFFAOYSA-N 315.300 3.222 10 10 DGCE CN(C)c1ccc(-c2nc(C(F)(F)F)c(CN)s2)cc1 1614842302 WPHCUUBEYJEBTH-UHFFFAOYSA-N 301.337 3.354 10 10 DGCE Cc1ccc(SCCC(=O)NCc2cccc(O)c2O)cc1 1558159595 ILDOZBIKDMHKRL-UHFFFAOYSA-N 317.410 3.205 10 10 DGCE C[C@@H](Oc1ccccc1Cl)C(=O)N1Cc2cccc(O)c2C1 1636230453 DSOWAPBURPLCDZ-LLVKDONJSA-N 317.772 3.355 10 10 DGCE O=C(CCSc1ccc(F)cc1)NCc1c(O)cccc1O 1639289086 IZNSLBGJINPLAE-UHFFFAOYSA-N 321.373 3.036 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2cccc3cc(O)ccc23)c1 1640796992 UZXPMFQSEHOPHG-UHFFFAOYSA-N 307.349 3.489 10 10 DGCE CCNCc1ccc(N(C)CC(F)F)c(Br)c1 233509179 SJNIIFAGRSLGDK-UHFFFAOYSA-N 307.182 3.260 10 10 DGCE CN(CCCCN=[N+]=[N-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1962298683 GZIKYFWHSAKQDH-CYBMUJFWSA-N 311.430 3.408 10 10 DGCE Cc1ccc([C@@H](C)NOCCCNC(=O)OC(C)(C)C)c(O)c1 1937012011 NGPDGRRAYBIJOC-CYBMUJFWSA-N 324.421 3.198 10 10 DGCE CN[C@H](c1ccccc1O)[C@H]1CC[C@H]1CNC(=O)OC(C)(C)C 1940089056 YOFXPGDYJZMFGC-XEZPLFJOSA-N 320.433 3.204 10 10 DGCE NCc1ccc(N2CCCC[C@@H](F)C2)c(Br)c1 1946945203 XNEUSHCYQRSRKV-LLVKDONJSA-N 301.203 3.236 10 10 DGCE Cc1cc(Br)cc(CN2C[C@@H](F)[C@H](C)C2)c1O 1947371638 KKXPPOKULKZIIG-BXKDBHETSA-N 302.187 3.253 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)NCCCOCc2ccccc2)C1 1981603249 QASDEGSMOMKIHI-HNNXBMFYSA-N 317.393 3.078 10 10 DGCE CN(Cc1ccc(Cl)s1)C(=O)COc1ccc(N)cc1 38055460 BBCPZYJSIYVUCX-UHFFFAOYSA-N 310.806 3.021 10 10 DGCE CCNCc1ccc(N2CCSCC2)c(C(F)(F)F)c1 163662076 KGDKZXFUKBMPPA-UHFFFAOYSA-N 304.381 3.368 10 10 DGCE OCc1ccc(N2CCS[C@@H]3CC[C@@H]32)cc1C(F)(F)F 2152205397 GOEMISSWOYRNRW-QWHCGFSZSA-N 303.349 3.282 10 10 DGCE COCCNCc1ccc(N2CC[C@@](C)(F)C2)c(Cl)c1 2152316718 CUDYYDRMKUCGIV-OAHLLOKOSA-N 300.805 3.014 10 10 DGCE Nc1ccc(NC(=O)NCc2ccccc2Br)cc1 48869833 BMLFFMVNSDTFRJ-UHFFFAOYSA-N 320.190 3.353 10 10 DGCE C[C@H](N(C)c1ccc([C@@H](C)N)c(Br)c1)C(C)(C)O 382810013 PBJQXIPSGUNNJO-ZJUUUORDSA-N 315.255 3.064 10 10 DGCE C[C@@H](N)c1ccc(N(C)[C@H](C)C(C)(C)O)cc1Br 382810010 PBJQXIPSGUNNJO-NXEZZACHSA-N 315.255 3.064 10 10 DGCE CC(C)n1ncc(Br)c1N(C)Cc1ccc(N)cc1 2106384283 WCGFYDJRSYASSI-UHFFFAOYSA-N 323.238 3.445 10 10 DGCE CN(C)[C@]1(C)CCN(Cc2cc(Cl)cc(Cl)c2O)C1 2093539696 KBHUWSXVXWHHAT-CQSZACIVSA-N 303.233 3.225 10 10 DGCE Cc1cc(O)c([C@H](C)N(C)[C@H]2COCC2(F)F)cc1Cl 2286444734 OZJURGNQOCRAIV-ZANVPECISA-N 305.752 3.381 10 10 DGCE CCCN1N=C(C)C(=Cc2cc(Cl)c(O)c(OC)c2)C1=O 2332139899 FUFXQWTXNQIADX-UHFFFAOYSA-N 308.765 3.066 10 10 DGCE CN(c1ccc(CO)c(Br)c1)[C@@H]1C[C@@H]2C[C@H]1[C@@H]1C[C@@H]21 2330306005 UBDJIFPXGAQNHN-KLLIRPSPSA-N 322.246 3.422 10 10 DGCE CC[C@]1(C)CC(=O)N(c2c(Cl)cc(N)cc2Cl)C1=O 2340243269 UOBHBULICWWWGF-CYBMUJFWSA-N 301.173 3.255 10 10 DGCE CCOc1ccc(O)c(CN2CCC[C@@H]2c2cccn2C)c1 179709016 CZJDOENDNIJEEM-QGZVFWFLSA-N 300.402 3.467 10 10 DGCE C[C@@H](Nc1ccnc(C2CC2)n1)c1ccc(N2CCOCC2)cc1 110289732 YCNZTZUTFXAQAH-CQSZACIVSA-N 324.428 3.364 10 10 DGCE COc1ccc2c(c1)NC1(CCCCCC1)CN2CC(N)=S 75281009 NOYGLKFJXFDUQW-UHFFFAOYSA-N 319.474 3.306 10 10 DGCE CN(Cc1cc(Cl)cc2c1OCC2)c1ccc(CN)cc1 228469625 MXJLOGWLVAPEGI-UHFFFAOYSA-N 302.805 3.370 10 10 DGCE CN(CC(=O)Nc1ccc(N)cc1)Cc1ccc(Cl)s1 48971390 NZOJFOKCIWKQME-UHFFFAOYSA-N 309.822 3.054 10 10 DGCE CCOCCCN1CC[C@H](N[C@H](C)c2ccccc2O)[C@H](C)C1 248386018 KVLBRBOPCKJWIC-NUJGCVRESA-N 320.477 3.180 10 10 DGCE C[C@H]1CCN(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 800012706 OOUMURDICYLEIV-AWEZNQCLSA-N 301.434 3.179 10 10 DGCE CCOCc1nc([C@@H](C)N[C@@H](CC)c2ccc(C)cc2O)no1 290183162 NSGXJGGFGNQJBD-OCCSQVGLSA-N 319.405 3.422 10 10 DGCE C[C@@H](NC[C@@H]1CC12CCSCC2)c1cc([N+](=O)[O-])ccc1O 817589213 MGWIFUDGPBCRGK-NEPJUHHUSA-N 322.430 3.484 10 10 DGCE CNCc1cc(F)c(N(CC(F)F)CC(F)F)c(F)c1 719515831 REMJHPUMSVVRMZ-UHFFFAOYSA-N 300.246 3.021 10 10 DGCE Cc1cc(Cl)cc(CN2CC3(CCNCC3)C[C@@H]2C)c1O 818431971 YOSJBJMTJICLGU-ZDUSSCGKSA-N 308.853 3.318 10 10 DGCE COC[C@H]1CCN1C(=O)c1cc(C)n(-c2cccc(C)c2)c1C 817815490 OPFDMTABKPUQBU-QGZVFWFLSA-N 312.413 3.263 10 10 DGCE C[C@]12COC[C@H]1CN(Cc1cc(Cl)cc(Cl)c1O)C2 827284701 VMMCUPDCULMQCR-YGRLFVJLSA-N 302.201 3.167 10 10 DGCE CC(C)CC(=O)CCN(Cc1ccccc1O)C[C@@H]1CCCO1 828062554 KGAMPULNKYQARX-SFHVURJKSA-N 319.445 3.379 10 10 DGCE CCOc1ccc(CN2CCC(c3ccon3)CC2)c(O)c1 827629273 GZIZNUHMYVIVNL-UHFFFAOYSA-N 302.374 3.159 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@]2(C)CCCC[C@H]2C(=O)O)cc1 901823212 NMQVCZIQPVVOTK-BUPXIBQPSA-N 316.445 3.389 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)C[C@@H](C)[C@@H]1CCCO1 830141338 RENAMLZQJHNNLM-PBHICJAKSA-N 305.418 3.336 10 10 DGCE COc1ccc(CNC(=O)C2(C(F)(F)F)CCCC2)c(O)c1 841430644 BAMFWGADQMPXDF-UHFFFAOYSA-N 317.307 3.140 10 10 DGCE Oc1c(Cl)cccc1CN1CCC[C@H](C2CCNCC2)C1 849350532 PHSNEZKGBNDTSC-AWEZNQCLSA-N 308.853 3.257 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)C1CC1 745324180 XXIXTSYNVUDDTL-CQSZACIVSA-N 303.450 3.471 10 10 DGCE CN1C[C@@H](CN[C@H]2CCc3cccc(O)c32)[C@H](c2ccccc2)C1 842923972 MLUQKAFRHLGWEM-QYZOEREBSA-N 322.452 3.315 10 10 DGCE OC[C@@H](CCc1ccccc1)NCc1c(O)cccc1Cl 922547435 CLQDOBWTEVKICA-CQSZACIVSA-N 305.805 3.129 10 10 DGCE Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCc1c(O)cccc1F 928705507 KQJOMGIFSSEKLB-MNOVXSKESA-N 305.374 3.321 10 10 DGCE CN1CCCc2cc(CNC(=O)NCCC3=CCCC3)ccc21 753112577 SEWXLVQEAAYXIW-UHFFFAOYSA-N 313.445 3.369 10 10 DGCE CCN[C@@H](C)c1ccc(N(CCF)CCOC)cc1Cl 697294332 MBRZCEYMLDHXCO-LBPRGKRZSA-N 302.821 3.433 10 10 DGCE c1cc(N2CCCCC2)ccc1CNc1ncc2c(n1)CCOC2 865294624 QTOJLVXTJRMWBG-UHFFFAOYSA-N 324.428 3.152 10 10 DGCE CCN(CC)c1ccc(CN(C)[C@@H](CC(C)C)C(=O)O)cc1 863528014 PYZRUBJEMYHEQE-KRWDZBQOSA-N 306.450 3.464 10 10 DGCE C[C@@H](CC(=O)OC(C)(C)C)NC/C=C/c1ccc(N(C)C)cc1 1117944978 OCOMLPDPHLTRLA-KIUWMYQTSA-N 318.461 3.476 10 10 DGCE C[C@H](NC(=O)c1c(O)cc(F)cc1F)c1ccc(N(C)C)cc1 775404825 PHINTCGGKDLCAZ-JTQLQIEISA-N 320.339 3.227 10 10 DGCE Cc1cnc([C@@H](C)NCc2ccc(Br)cc2O)o1 700992962 KVAGRSLZBOSONR-SECBINFHSA-N 311.179 3.302 10 10 DGCE C[C@@H](NC(=O)c1c(F)ccc(O)c1O)c1ccc2c(c1)CCC2 1183113594 XMCJRAAYKRQAFJ-SNVBAGLBSA-N 315.344 3.217 10 10 DGCE Cc1cc(O)ccc1CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 1348252139 FALLCEFIXDHNJO-AWEZNQCLSA-N 312.413 3.187 10 10 DGCE CC(C)C[C@@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 1439960257 LFTAGNYPXGXCMA-QAPCUYQASA-N 319.493 3.154 10 10 DGCE CN[C@H](C)c1ccc(N(Cc2ccccc2)C2COC2)cc1O 1915681027 VYMANKBHTXGQBR-CQSZACIVSA-N 312.413 3.078 10 10 DGCE Oc1ccc(Br)cc1CN[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]12 1917459677 RNOJMAXUNVQNNH-SUDMAZQFSA-N 308.219 3.289 10 10 DGCE CC[C@H](NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C)[C@@H](C)O 1467991494 LTHSTNJXBQGWAX-QAPCUYQASA-N 314.429 3.292 10 10 DGCE CSCCCN(C(=O)/C=C/c1cccnc1)c1cccnc1 1533740238 MRNIFDCYUVIPRZ-BQYQJAHWSA-N 313.426 3.276 10 10 DGCE CSc1ccc(/C=C\C(=O)NCc2c(O)cccc2O)s1 1639292636 LEHXEPWFOXNIRH-ALCCZGGFSA-N 321.423 3.211 10 10 DGCE Cc1nc2ccc(C(=O)N3Cc4cccc(O)c4C3)cc2s1 1644088058 DCCRBKAPDHBCDF-UHFFFAOYSA-N 310.378 3.466 10 10 DGCE O=C(NCc1c(O)cccc1O)c1ccc(Cl)c2occc12 1645366258 MZFGTCAZSQNSPR-UHFFFAOYSA-N 317.728 3.427 10 10 DGCE CC(C)Oc1nc(NCc2c(O)cccc2F)ccc1[N+](=O)[O-] 1655875310 CHYSDRWNVAKQEW-UHFFFAOYSA-N 321.308 3.234 10 10 DGCE [N-]=[N+]=NCCNC(=O)c1cscc1OCc1ccccc1 1934838930 LMRRMMOLFGBUDR-UHFFFAOYSA-N 302.359 3.367 10 10 DGCE CN1CCCN(c2ccc(CNC(C)(C)C)cc2Cl)CC1 163931757 PJOMNTWONXFQKN-UHFFFAOYSA-N 309.885 3.370 10 10 DGCE CN[C@H](c1ccccc1O)[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C 1938632066 LSDKBRIWXFYNSL-NJZAAPMLSA-N 324.396 3.000 10 10 DGCE Cc1c(OCc2ccc(N)cc2)c(=O)ccn1CCC(C)C 1857909961 UMIXGKMDILHBNE-UHFFFAOYSA-N 300.402 3.364 10 10 DGCE CN(Cc1ccccc1)[C@H]1CCN(CCCc2ccc(N)cc2)C1 1946760387 OFUCBKAHAJMAAQ-NRFANRHFSA-N 323.484 3.408 10 10 DGCE Cc1ccc(O)c([C@H]2CC(=O)CCN2C(=O)OC(C)(C)C)c1 1952058922 HBZDQLHEARDWRZ-CQSZACIVSA-N 305.374 3.342 10 10 DGCE Oc1c(Br)cccc1CN[C@@H]1C[C@H]2C[C@H]1C[C@H]2F 1967869645 TWZXHQLPQMAQKE-LYIQGSDWSA-N 314.198 3.381 10 10 DGCE CC[C@H](NC(=O)OC(C)(C)C)[C@H](O)c1ccc2c(c1)CCN2C 1977939511 QLUZIHXAWINYHQ-GOEBONIOSA-N 320.433 3.016 10 10 DGCE Cc1ccc(CNCCCCCNC(=O)OC(C)(C)C)c(O)c1 1994456672 OPPYQSRVPRZRKR-UHFFFAOYSA-N 322.449 3.485 10 10 DGCE CNCc1ccc(N2CC(C(C)(F)F)C2)c(Br)c1 2034066214 PSNGBAOGIPQHLL-UHFFFAOYSA-N 319.193 3.260 10 10 DGCE C[C@H]1C[C@H](N(C)c2ccc([C@@H](C)N)cc2Br)CO1 401573338 MUTMSMBGWFOKDG-UMNHJUIQSA-N 313.239 3.082 10 10 DGCE Cc1ccc(O)c(CNC[C@@H](C)N(C)C(=O)OC(C)(C)C)c1 309962798 BFVHRSMVAKAERC-CYBMUJFWSA-N 308.422 3.046 10 10 DGCE NCc1ccc(N2C[C@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cc1 310225281 GRNNESHKOPBCRB-WOJBJXKFSA-N 321.468 3.104 10 10 DGCE Nc1ccc(CC(=O)NCc2ccc(Cl)c(Cl)c2)cc1 689241906 ZOPXHESSEQCOLN-UHFFFAOYSA-N 309.196 3.435 10 10 DGCE CN(Cc1ccc(N)cc1)Cc1ncc(Br)s1 713712010 VLRJPGJCTWWKOQ-UHFFFAOYSA-N 312.236 3.120 10 10 DGCE Cc1ccc(O)c(CNCc2sncc2Br)c1 722818637 LTHBJKBCPCOUBE-UHFFFAOYSA-N 313.220 3.209 10 10 DGCE CCCNCc1ccc(N(C)Cc2cnns2)cc1Cl 400027132 PEKDLGAWKAWLEV-UHFFFAOYSA-N 310.854 3.328 10 10 DGCE COc1cccc(Cn2nc(C3CC3)cc2Br)c1O 2070026245 PHURRZGBMXLYBT-UHFFFAOYSA-N 323.190 3.286 10 10 DGCE COc1ccc([C@H](C)n2nc(-c3ccccc3)cc2CN)c(O)c1 2070119414 SDDUWTSDWQAZPA-ZDUSSCGKSA-N 323.396 3.332 10 10 DGCE NCc1cnn(Cc2cccc(C(F)(F)F)c2O)c1C(F)F 2079063033 AGSGEDCNJJTXJM-UHFFFAOYSA-N 321.249 3.052 10 10 DGCE C[C@@H](c1ccccc1O)N(C)c1cc(Br)ncn1 2072467949 YKODDTCDGGZYCK-VIFPVBQESA-N 308.179 3.142 10 10 DGCE COc1ccc(O)c(CNCc2snc(Cl)c2Cl)c1 2110924909 SUBVNHUODRHXKF-UHFFFAOYSA-N 319.213 3.454 10 10 DGCE C[C@H](O)c1ccc(N2CC[C@H]3C[C@]3(F)C2)cc1Br 2222657963 PWAKARYRKJEAPF-BHDSKKPTSA-N 314.198 3.441 10 10 DGCE NCc1ccc(N2CCC[C@H](OCC(F)F)C2)c(Cl)c1 2279239291 HYWJBZAWTZUCJK-NSHDSACASA-N 304.768 3.049 10 10 DGCE Cc1cnc(NCc2ccc(C)c(Br)c2O)nc1C 2352942786 KLBPNTKHTCIZCP-UHFFFAOYSA-N 322.206 3.482 10 10 DGCE Nc1ccc(CNC(=O)c2sccc2Br)cc1 111527591 RUSQUEPDAZJZML-UHFFFAOYSA-N 311.204 3.023 10 10 DGCE CCc1cnc(CCN[C@H](C)c2cc(OC)ccc2O)s1 185583353 XERAVIIQQFULAE-LLVKDONJSA-N 306.431 3.313 10 10 DGCE C[C@H](N)c1cc(OC(F)(F)F)c(Br)cc1O 309205936 PVIBFXGQBIYDOH-BYPYZUCNSA-N 300.074 3.073 10 10 DGCE CN(C)[C@H](c1cc([N+](=O)[O-])ccc1O)c1c[nH]c2ccccc12 71705163 CFLHTLZFNAIEFT-QGZVFWFLSA-N 311.341 3.433 10 10 DGCE C[C@H]1CN(Cc2cccc(Br)c2O)CCS1 131378344 DQDPTPINDPWGNN-VIFPVBQESA-N 302.237 3.092 10 10 DGCE COc1ccc(CNC2CC2)cc1CSc1ccncn1 81887061 NYROWJNBVRFKEJ-UHFFFAOYSA-N 301.415 3.030 10 10 DGCE CC[C@@H]1CCC[C@](NCc2cnc(SC)s2)(C(=O)O)C1 2371755016 HMANFNIMDGVNDS-QMTHXVAHSA-N 314.476 3.378 10 10 DGCE CCCN[C@H](c1ccc(N(C)C)cc1)c1c(Cl)cnn1C 97448331 PESZUFGWMYZOOP-OAHLLOKOSA-N 306.841 3.229 10 10 DGCE CSc1ncc(CN[C@]2(C(=O)O)CC[C@@H](C)C[C@@H]2C)s1 2373829743 YBJKTPNBSMIDLV-ISTVAULSSA-N 314.476 3.234 10 10 DGCE CCN(Cc1cc(Cl)cc(OC)c1O)[C@@H]1CCC[C@H]1CN 252847879 HMRJHONINKJZPE-SMDDNHRTSA-N 312.841 3.004 10 10 DGCE Oc1c(Cl)cccc1CNc1ccc2c(c1)OCCNC2 530181433 KFFMXTKAACZPSB-UHFFFAOYSA-N 304.777 3.140 10 10 DGCE Cc1cc(Cl)cc(CNc2cnc3c(c2)COCC3)c1O 378517688 KMPIHLFUZMVETC-UHFFFAOYSA-N 304.777 3.434 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)CCc1ccccc1O 299686195 VAFNVAJTWLNCMV-UHFFFAOYSA-N 313.397 3.469 10 10 DGCE COC(=O)Cc1ccc(Br)c2scc(O)c12 396277563 UDCNCSHGGLXHGD-UHFFFAOYSA-N 301.161 3.085 10 10 DGCE CCN(CC)c1ccc(CNC(=O)C[C@@H](O)CC(C)(C)C)cc1 813414315 KMZICOMBRFBXHF-QGZVFWFLSA-N 320.477 3.336 10 10 DGCE Cc1cncc(/C=C/C(=O)N2C[C@H](C)C(=O)Nc3ccccc32)c1 130288626 ZVTOWBKICIJPDH-NPQIQWPPSA-N 321.380 3.025 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)/C=C\[C@H]1CCCO1 819137677 HBLCKNUEXMBJQQ-YUIUBULTSA-N 316.445 3.225 10 10 DGCE Cc1cncc(/C=C\C(=O)N2C[C@@H](C)Oc3c(F)cccc32)c1 588512990 YTMXYVKHGONMPU-FMFIFOJESA-N 312.344 3.356 10 10 DGCE CN(C)c1ccc(/C=C\CN2CC[C@]3(CCCOC3)C2)cc1 835049015 DLKVQZJVBHRLIL-SIEMBAAWSA-N 300.446 3.268 10 10 DGCE CCCCCCOCC(=O)NCc1c(O)ccc2c1CCCC2 743719816 VRAQPVLUHVOCLV-UHFFFAOYSA-N 319.445 3.484 10 10 DGCE CCc1cccc(CN(CCOC)Cc2scnc2C)c1O 848907346 MCMDDOKAYSWMQZ-UHFFFAOYSA-N 320.458 3.368 10 10 DGCE COC[C@@H](C)n1ccc(NCc2c(O)cc(C)cc2Cl)n1 840938034 CJNBZFBKFGNHFB-LLVKDONJSA-N 309.797 3.370 10 10 DGCE CN(CCCNCc1ccc(F)c(F)c1O)Cc1ccccc1 700783354 SOWGJQVDOPGQQN-UHFFFAOYSA-N 320.383 3.282 10 10 DGCE COc1cccc([C@H](C)N[C@@H](C)[C@@H](O)c2ccccc2)c1O 846169555 FEBIWLGPNUCOOB-GDZNZVCISA-N 301.386 3.174 10 10 DGCE COc1ccc(O)c([C@@H](C)NC2CCC(C)(N3CCC3)CC2)c1 927038831 RASPWOQFKWYHBR-TZGCNFNXSA-N 318.461 3.458 10 10 DGCE CCOC1(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CCC1 857575858 ULDCZIUGEDXMTR-UHFFFAOYSA-N 316.445 3.203 10 10 DGCE Cc1cc(CN2CCC[C@@H]([C@H]3CCCN3)C2)ccc1N(C)C 923327620 DWEFTRFJKUNNKB-QZTJIDSGSA-N 301.478 3.025 10 10 DGCE CCC(C)(C)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 852280966 ZYSXZGYQTBXKNB-CQSZACIVSA-N 319.449 3.009 10 10 DGCE CCC(C)(C)[C@H](C)NCC(=O)N(C)Cc1ccc(N(C)C)cc1 852355821 JWUZHVWYWUVXIZ-HNNXBMFYSA-N 319.493 3.125 10 10 DGCE C[C@@H](NC1CCN(C2CCC2)CC1)c1cc(F)cc(F)c1O 756489241 HKVODXIQUGIXAP-LLVKDONJSA-N 310.388 3.338 10 10 DGCE COc1ccc(CN[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1 850346285 RQMQNLJSZSLMDV-MRXNPFEDSA-N 312.413 3.072 10 10 DGCE CC(C)c1nsc(CN2CCOc3cc(N(C)C)ccc32)n1 930127051 VDYNKMOFXRVOHF-UHFFFAOYSA-N 318.446 3.127 10 10 DGCE COc1ccc(N2CC[C@H](N[C@H](C)C3CC(F)(F)C3)C2)cc1 862408061 SHXOEFGKGFQUSJ-OCCSQVGLSA-N 310.388 3.297 10 10 DGCE CS[C@@H]1CC[C@H]1N[C@H](C)c1ccc(N2CCOCC2)cc1 766603056 MDJIYMHIRLLKTJ-KBRIMQKVSA-N 306.475 3.068 10 10 DGCE CCC(CC)n1nc(C(=O)N2Cc3cccc(O)c3C2)cc1C 871205092 WAZJARXVKLDLLW-UHFFFAOYSA-N 313.401 3.414 10 10 DGCE Cc1ccccc1C[C@H](C)N(C)Cc1cc2c(cc1O)OCO2 775204414 QGCJEBNNMWZIKG-AWEZNQCLSA-N 313.397 3.492 10 10 DGCE Cc1cc(C)n([C@@H](C)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1 773009096 PDBHXQWPIPKNBW-CABCVRRESA-N 314.433 3.004 10 10 DGCE CCc1nn(CC)c(COc2ccc(N)cc2)c1Br 89346926 PSUSWBCLQOYEGE-UHFFFAOYSA-N 324.222 3.389 10 10 DGCE Cc1c(F)ccc(N)c1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 1154669286 WFJSDJGKOCIJIH-LBPRGKRZSA-N 315.392 3.273 10 10 DGCE Cc1nc(C)c(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)[nH]1 1303891606 PKQPOXZUNSSCSH-UHFFFAOYSA-N 322.412 3.364 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC[C@@H]2[C@@H](C1)C2(F)F 1328089057 WCTLZHFAZXVPIM-FVQBIDKESA-N 322.399 3.392 10 10 DGCE O=C(NCC[C@@H]1CC[C@@H]2C[C@@H]12)NCc1cc(Cl)ccc1O 1248736552 IGJHCROWJLHADW-WDMOLILDSA-N 308.809 3.281 10 10 DGCE c1ccc2c(c1)C[C@H](NCc1ccc(N3CCCC3)cc1)CN2 1327240401 LJDYBTCGSBSDOD-SFHVURJKSA-N 307.441 3.413 10 10 DGCE COc1ccc(CNC[C@@H](C)NC(=O)CC(C)=C(C)C)cc1C 1268659329 OQYHDYVWZFORLH-MRXNPFEDSA-N 318.461 3.344 10 10 DGCE Oc1ccc(Br)cc1CN1[C@H]2CC[C@@H]1[C@H]1CC[C@H]2O1 1900481700 IJJNFAMMSHVMRV-AYRXBEOTSA-N 324.218 3.049 10 10 DGCE [N-]=[N+]=NC1CN(C(=O)CSCc2ccc(Cl)s2)C1 1912197805 YVLQFOCYUKFQLF-UHFFFAOYSA-N 302.812 3.156 10 10 DGCE CC1(C)CCC[C@H]1[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1469337974 JHYRXBFCNKIVTO-GJZGRUSLSA-N 317.429 3.315 10 10 DGCE CC[C@H](C)Oc1cc(NCc2c(O)cccc2F)nc(C)n1 1612950140 GNBXXHUZKDVTPP-JTQLQIEISA-N 305.353 3.419 10 10 DGCE CO[C@@H](C(=O)NCc1cccc(Cl)c1O)c1ccccc1 1472317014 QYNBGXADBSGHJW-OAHLLOKOSA-N 305.761 3.050 10 10 DGCE CC[C@@H](C)Oc1ccc(C(=O)NCc2c(O)cccc2O)cc1 1639289149 LWZYKWXZXGNYDX-GFCCVEGCSA-N 315.369 3.205 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)c1cccc2[nH]ccc12 1639621764 SMICTEMOOWWMIS-UHFFFAOYSA-N 317.348 3.352 10 10 DGCE O=C(NCc1ccc2cccnc2c1)N1Cc2cccc(O)c2C1 1637616754 VUVIPRYFNBJPIV-UHFFFAOYSA-N 319.364 3.166 10 10 DGCE CN(C)c1ccc(CN2CCN(C)[C@@H](Cc3ccccc3)C2)cc1 1645534801 RWNQKMYVVLXIKX-NRFANRHFSA-N 323.484 3.111 10 10 DGCE CC[C@H](C)C(=O)N[C@H](C)CCNCc1ccc(OC)c(C)c1 1699083133 YZJIYZPWOBLKGI-DZGCQCFKSA-N 306.450 3.034 10 10 DGCE C[C@@H](CCNC(=O)OC(C)(C)C)N[C@H](C)c1cc(O)ccc1O 1937018364 HDHVSHQNMCXQQW-NWDGAFQWSA-N 324.421 3.052 10 10 DGCE COc1cc(OC)cc(C(=O)N(c2ccc(N)cc2)C2CC2)c1 1857926958 LKHFOAISZAWCEO-UHFFFAOYSA-N 312.369 3.095 10 10 DGCE CC1(C)[C@@H](O)CC[C@H]1NCc1cc(Cl)cc(Cl)c1O 2142138214 XSASGPVULOZGME-NEPJUHHUSA-N 304.217 3.338 10 10 DGCE C[C@H](NCC1(Br)CCC1)c1ccc(F)cc1O 2002766476 FDDJTOAXRSWSQH-VIFPVBQESA-N 302.187 3.500 10 10 DGCE C[C@@H]1[C@H](NCc2c(O)cccc2F)CCN1C(=O)OC(C)(C)C 1976861708 ZUGOZQYOAFLRGF-BXUZGUMPSA-N 324.396 3.019 10 10 DGCE CC[C@@H]([C@H](N)c1ccc(N(C)C)cc1)N(C)C(=O)OC(C)(C)C 1977946552 VYTLIYWBZPBRIT-JKSUJKDBSA-N 321.465 3.398 10 10 DGCE O[C@H]1CCc2cc(N3CC[C@@H](OCc4ccccc4)C3)ccc21 1986603065 QFWWRMUTTDUNNT-QUCCMNQESA-N 309.409 3.462 10 10 DGCE C[C@@H](O)CN(Cc1ccccc1)c1c(F)cc([C@@H](C)O)cc1F 1990406852 OAFVNHHWRCUZTP-CHWSQXEVSA-N 321.367 3.406 10 10 DGCE C[C@H](N)c1cc(F)c(N(CCCO)Cc2ccccc2)c(F)c1 1990443538 JDZQFKPRKLFQAH-ZDUSSCGKSA-N 320.383 3.374 10 10 DGCE CNCc1ccc(N2C[C@@H](F)C[C@H]2C)cc1Br 1997675392 DPUGLALRZGCREE-KOLCDFICSA-N 301.203 3.105 10 10 DGCE CCCNCc1ccc(N(C)[C@@H](C)C[S@](C)=O)cc1Cl 398893257 NQPVMINQDRHPSP-YUNKPMOVSA-N 316.898 3.043 10 10 DGCE CCN[C@@](CSc1nccs1)(C[C@H](C)CC)C(=O)OC 2207919169 ZUMCVDLCHNITFO-BXUZGUMPSA-N 316.492 3.193 10 10 DGCE COc1ccc(Br)c(CNC[C@@H]2[C@@H](C)[C@H]2C)c1O 2220462393 KWIRYLXDNDIOGR-MYJAWHEDSA-N 314.223 3.155 10 10 DGCE CSc1ncc(CN=c2[nH]nc(C)c3ccccc23)s1 2284639772 KTIMKHMVDMZYHY-UHFFFAOYSA-N 302.428 3.151 10 10 DGCE CN[C@H](C)c1ccc(N2CCSCC(F)(F)C2)cc1C 2285135003 SININAKPLQPMRW-GFCCVEGCSA-N 300.418 3.464 10 10 DGCE CCc1nsc(CN(C)c2ccc([C@@H](C)O)cc2Cl)n1 2288818545 MRLFFLUMLWIWSH-SECBINFHSA-N 311.838 3.444 10 10 DGCE COc1cccc(CNC(=O)CC=Cc2ccccc2F)c1O 2297808514 ZWUHDOIUFBRNFU-UHFFFAOYSA-N 315.344 3.260 10 10 DGCE COc1ccc(O)c(CN2CCO[C@H](c3cccs3)C2)c1 179887886 XPYXNFIBEVYSSY-HNNXBMFYSA-N 305.399 3.036 10 10 DGCE CCNCc1cc(F)c(N(CCOC)CC(C)C)c(F)c1 62712948 PADIAFRSEXXGDR-UHFFFAOYSA-N 300.393 3.183 10 10 DGCE Cc1ccc(NC(=O)c2cccc(O)c2O)cc1Br 126177918 MBSZJJWCFAOEGY-UHFFFAOYSA-N 322.158 3.421 10 10 DGCE Oc1cccc([C@H]2CN(Cc3cccc(Cl)c3O)CCO2)c1 180285146 DBQPWYFUMYHVBI-MRXNPFEDSA-N 319.788 3.325 10 10 DGCE CC[C@@H](C)N(CCOC)c1ccc(CN)cc1Br 212995802 VGJHSZQIHXBDTP-LLVKDONJSA-N 315.255 3.159 10 10 DGCE Cc1nc(C)c([C@H](C)NC(=O)CCc2ccc(N)cc2)s1 40517481 RHQIJZZKURYAJZ-NSHDSACASA-N 303.431 3.152 10 10 DGCE C[C@H](N)c1ccc(N2CCOCC2(C)C)cc1Br 235511112 SSOCSKNDLLNIBT-JTQLQIEISA-N 313.239 3.084 10 10 DGCE Oc1ccc(Cl)cc1CN1CCO[C@@H](c2nccs2)C1 92831537 MVKKCMPQGOVIDU-CYBMUJFWSA-N 310.806 3.076 10 10 DGCE CC[C@H](CNC(=O)OC(C)(C)C)N[C@@H](C)c1c(O)cccc1O 234029798 JXOBUOOQGQSLEE-NWDGAFQWSA-N 324.421 3.052 10 10 DGCE Cc1ccc([C@H](C)NC[C@@H]2c3ccccc3C(=O)N2C)c(O)c1C 528002011 KVEBQUOFCQRBMZ-KBXCAEBGSA-N 324.424 3.487 10 10 DGCE COc1ccccc1[C@H](O)CN[C@@H](C)c1ccc(C)c(C)c1O 273390200 KJSRMBKYQAYDKU-WMLDXEAASA-N 315.413 3.402 10 10 DGCE CCC[C@H](COC)N(C)Cc1cc(Cl)cc(OC)c1O 2165952857 CCSZLXMVEPTBRP-CYBMUJFWSA-N 301.814 3.301 10 10 DGCE c1cc(N2CCOCC2)ccc1CNCC[C@@H]1C[C@H]2CC[C@H]1C2 394188836 SFXACSLBCKAJOM-GBESFXJTSA-N 314.473 3.439 10 10 DGCE COCCCOc1ccccc1NC[C@@H](O)CC1CCCC1 819421152 FDDSRNJIIOXEIQ-INIZCTEOSA-N 307.434 3.455 10 10 DGCE Cc1cc(N(C)C)ccc1CNC[C@H](O)c1ccc(F)cc1C 819077482 MAGQMDASXPSSHZ-IBGZPJMESA-N 316.420 3.332 10 10 DGCE Cc1cc(O)c(CN[C@H](C)Cc2c(C)nn(C)c2C)cc1Cl 825320986 RBKDWDAFKGHXTP-LLVKDONJSA-N 321.852 3.425 10 10 DGCE CC(C)[C@@H]1CC[C@H]1NCc1cc(F)c(N2CCOCC2)c(F)c1 839144640 IUVFUSQDTIHVNE-WMLDXEAASA-N 324.415 3.326 10 10 DGCE CN(C)c1ccc(/C=C\CNCCc2ccc3c[nH]nc3c2)cc1 835050529 TWCGXZRQJUCBID-ARJAWSKDSA-N 320.440 3.474 10 10 DGCE NCCN(Cc1cccc(Cl)c1)Cc1cccc(F)c1O 903954372 RWEHZOBLBQKYQB-UHFFFAOYSA-N 308.784 3.146 10 10 DGCE CCc1cccc(CN2CCC3(CCC(O)CC3)CC2)c1O 848915025 WRVPGURSLSRHNI-UHFFFAOYSA-N 303.446 3.472 10 10 DGCE Oc1cc(F)c(Cl)cc1CN[C@H](C1CCOCC1)C1CC1 846042701 NXCATQGGBQBFJT-INIZCTEOSA-N 313.800 3.480 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)NCC[C@@H]1CC[C@H]2C[C@@H]12 924391688 PXMWSZMHFSDCTH-BQFCYCMXSA-N 315.461 3.330 10 10 DGCE Cc1cc(NC(=O)NCc2ccccc2O)nn1[C@H](C)C1CC1 752841726 VCJNBCQXKZSVEC-GFCCVEGCSA-N 314.389 3.190 10 10 DGCE CN1CCCc2cc(CN[C@H](C3CC3)[C@@H]3CCCOC3)ccc21 924869825 JDOGHXVXDVYPJS-UYAOXDASSA-N 314.473 3.364 10 10 DGCE C[C@H](N[C@H]1C[C@@](CN)(c2ccccc2)C1)c1ccc(F)cc1O 925885950 BXSSCASTWLEXLZ-IYJAJMOOSA-N 314.404 3.241 10 10 DGCE Cc1cc(CC(=O)OCC(=O)C(F)F)c(C)n1-c1ccccc1 853935267 YDBVYQOJEIYECH-UHFFFAOYSA-N 321.323 3.014 10 10 DGCE C[C@@H]1C[C@@H](NCc2ccc(N3CCCCC3)cc2)c2ncnn21 850352411 VAQXDODHEZLJAM-RHSMWYFYSA-N 311.433 3.064 10 10 DGCE CCc1cc(Cl)cnc1NCc1cc2c(cc1O)OCO2 862533112 LEHLXKLXFQGDDX-UHFFFAOYSA-N 306.749 3.344 10 10 DGCE Cc1oc(C2CC2)nc1C(=O)NCc1ccc2cccnc2c1O 862026201 ILGHELGZMGATNL-UHFFFAOYSA-N 323.352 3.044 10 10 DGCE CCO[C@H](C(=O)N[C@@H](C)c1cc(OC)ccc1O)C1CCCC1 866763232 CMDSNJPERKJKKO-SJCJKPOMSA-N 321.417 3.173 10 10 DGCE COc1cc(C)cc(CN2CC[C@H](Cc3ccncc3)C2)c1O 782291928 SEZSFQUVVYOLSQ-MRXNPFEDSA-N 312.413 3.169 10 10 DGCE Nc1ccc(CC[C@H](O)c2cnc(C(F)(F)F)s2)cc1 695883060 PCSNCXAHKRDOCB-JTQLQIEISA-N 302.321 3.410 10 10 DGCE C[C@@H](NC(=O)c1cnn(C)c1-c1ccccc1)c1ccccc1O 1151886185 YRXNYIUQUWGCHD-CYBMUJFWSA-N 321.380 3.284 10 10 DGCE COc1cc(CN(C)Cc2ccc(N(C)C)c(C)c2)sn1 1308109006 KOVCQEFNCYNLQY-UHFFFAOYSA-N 305.447 3.158 10 10 DGCE Cc1cccnc1/C=C/C(=O)Nc1c(Cl)ccc2nonc12 1329519025 PQDZZBJPISQJCQ-VOTSOKGWSA-N 314.732 3.232 10 10 DGCE CN(C(=O)C=Cc1ccc(Br)o1)c1ccc(N)cc1 1912069715 OXNWVECWKIIEFJ-UHFFFAOYSA-N 321.174 3.301 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN(C(=O)c2cc(Cl)c(Cl)[nH]2)C1 1912145916 MYFUGJCKAAMNCG-SSDOTTSWSA-N 302.165 3.484 10 10 DGCE CC[C@@H]1OCC[C@H]1NC(=O)c1ccc(-n2c(C)ccc2C)cc1 1525120381 DDHISRONRWHFGC-MSOLQXFVSA-N 312.413 3.391 10 10 DGCE C[C@H](NCc1nc(-c2ccccc2F)no1)c1ccccc1O 1460635840 FPWPOOXMYXZAAB-NSHDSACASA-N 313.332 3.432 10 10 DGCE c1cc(N2CCOCC2)ccc1CN[C@@H]1C[C@H]2CC[C@H](C2)C1 1473956856 BEWMNOCWCDIRSI-PIIMJCKOSA-N 300.446 3.192 10 10 DGCE COc1ccc(CN[C@@H](CNC(=O)C=C(C)C)C(C)C)cc1C 1715489742 YZFIMISXLFTLMZ-KRWDZBQOSA-N 318.461 3.200 10 10 DGCE C[C@H]1c2ccc(F)cc2C[C@@H](C)N1C(=O)c1cccc(O)c1O 1631953745 HVAVAACVYXSOIL-MNOVXSKESA-N 315.344 3.385 10 10 DGCE CC(C)(C)OC(=O)NC1([C@@H](N)c2ccccc2O)CCCC1 1928474202 JYXREQYRAZILQL-AWEZNQCLSA-N 306.406 3.230 10 10 DGCE CC(C)(C)OC(=O)N(C[C@H](N)c1ccccc1O)C(C)(C)C 1928480893 OUWNCVRXIFJSBP-ZDUSSCGKSA-N 308.422 3.428 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)Nc2cnn(C3CCC3)c2)cc1 1635924808 JSRVMNWRMZGHIE-UHFFFAOYSA-N 312.333 3.023 10 10 DGCE O=C(c1cnc2c(F)cccc2c1)N1Cc2cccc(O)c2C1 1644088054 CYPHYGKYBDGUBA-UHFFFAOYSA-N 308.312 3.236 10 10 DGCE CCOC(=O)[C@@H]1C[C@H]1CN(CC1CC1)c1ccc(OC)cc1 1654495935 UFXBPFHDQORGRU-WMLDXEAASA-N 303.402 3.111 10 10 DGCE Cc1ccc(C(=O)N[C@H](C)c2cc3cnccc3o2)c(O)c1O 1650822170 FJXBTBRHNRHTKE-SNVBAGLBSA-N 312.325 3.038 10 10 DGCE Cc1[nH]c2ccc(C(=O)NCc3cc(O)ccc3O)cc2c1C 1593873569 RVWRIXQLMDAYDC-UHFFFAOYSA-N 310.353 3.126 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1C[C@@H](C)[C@@H](C)C1 1673745068 RAWAGXTUISJNRZ-OWCLPIDISA-N 317.477 3.289 10 10 DGCE CC(C)(C)OC(=O)N1CCN(CCCN=[N+]=[N-])C(C)(C)CC1 1962303883 JMOWZLNSGUKINN-UHFFFAOYSA-N 311.430 3.408 10 10 DGCE CCN1C(=O)/C(=C\c2ccc3cccnc3c2)SC1=S 206401612 CXKUPSNKVGKTBL-UKTHLTGXSA-N 300.408 3.456 10 10 DGCE CCC(CC)N(CCO)c1ccc(CN)cc1C(F)(F)F 163700087 OJXQYYNPOTZKQR-UHFFFAOYSA-N 304.356 3.151 10 10 DGCE CCCNCc1ccc(N(C)[C@H]2CCCN(C)C2)c(Cl)c1 164051448 NIUORVDRLNNELU-HNNXBMFYSA-N 309.885 3.370 10 10 DGCE Cc1cc(C)c(O)c(CN2CCO[C@H](c3nc(C)cs3)C2)c1 164245429 HYYLWAARKCHBCQ-HNNXBMFYSA-N 318.442 3.347 10 10 DGCE Nc1cccc(F)c1N[C@H]1CCOC[C@@H]1OCc1ccccc1 1937207851 RSAJNFPOBGOMCG-IRXDYDNUSA-N 316.376 3.194 10 10 DGCE CCC[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)C1CC1 159028638 IEDFDRVSXILOAO-QGZVFWFLSA-N 306.425 3.331 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@@H]1NC(=O)c1csc(Br)c1 2213585130 KTAUICRUTZSHOU-YUMQZZPRSA-N 315.196 3.472 10 10 DGCE CN(C)c1cccc(NC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)c1 1859710072 BPIDZBPYKAMMBQ-UHFFFAOYSA-N 323.396 3.235 10 10 DGCE CCOc1cc(/C=C2\C(=O)N(C)N=C2c2ccccc2)ccc1O 1865649994 POSUABFRHUKEAK-PTNGSMBKSA-N 322.364 3.051 10 10 DGCE CC(C)SC1CN(c2ccc(CN)c(Br)c2)C1 1948312620 CSOVSALESVPVNR-UHFFFAOYSA-N 315.280 3.238 10 10 DGCE CO[C@@H]1CN(Cc2ccc(Br)cc2O)CC1(C)C 1967793628 UOXGMDQUCCKBGX-CYBMUJFWSA-N 314.223 3.012 10 10 DGCE COc1ccc(Br)c(CNC[C@H]2C=CCC2)c1O 1967703701 VMWBQWPIYJUQOP-JTQLQIEISA-N 312.207 3.219 10 10 DGCE C[C@H]1[C@H](NCc2c(O)cccc2F)CCN1C(=O)OC(C)(C)C 1976861710 ZUGOZQYOAFLRGF-SMDDNHRTSA-N 324.396 3.019 10 10 DGCE CN[C@H](c1sccc1Cl)[C@@H](O)c1ccc(N(C)C)cc1 2148574655 UARFZKJBSQSOLC-KBPBESRZSA-N 310.850 3.462 10 10 DGCE Nc1ccc(NCc2cccc(I)c2)cc1 1982844229 MGJZPSLMCVKSDV-UHFFFAOYSA-N 324.165 3.486 10 10 DGCE C[C@@H]1CN(Cc2cccc(Br)c2O)CC1(F)F 1996513770 KYOSVLQSAGAEKU-MRVPVSSYSA-N 306.150 3.242 10 10 DGCE COc1cc(Cl)cc(CNCc2nc(C)sc2C)c1O 2152816449 WDQHCUXHQDQMDE-UHFFFAOYSA-N 312.822 3.417 10 10 DGCE C[C@H]1C[C@@H]1CCNCc1cc(Br)cc(F)c1O 2016815146 RTXOWUKGXSPBKP-IUCAKERBSA-N 302.187 3.430 10 10 DGCE C[C@H]1C[C@]1(F)CN(C)c1ccc(CO)cc1Br 2025731824 MJNWDZWFQMEKPQ-ZANVPECISA-N 302.187 3.126 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)C(C(F)(F)F)C(F)(F)F)C1 403736246 OIWNTPIAWWVWOQ-RXMQYKEDSA-N 304.194 3.029 10 10 DGCE Cc1cnccc1CNCc1c(O)cccc1Br 706855319 CCYATIZJYDDFLB-UHFFFAOYSA-N 307.191 3.148 10 10 DGCE CCOC(=O)c1cc(C(C)C)nn1Cc1c(O)cccc1F 2069904657 HXJWGFBJMDBNLT-UHFFFAOYSA-N 306.337 3.076 10 10 DGCE CSc1cnn(Cc2cc(C)ccc2O)c1Br 2070248686 CFOWVAWLDBLVIH-UHFFFAOYSA-N 313.220 3.430 10 10 DGCE C[C@@H](CNCc1cc(Cl)cc(Cl)c1O)OC(F)F 2076285082 YRWWPCJUIQFWMG-LURJTMIESA-N 300.132 3.416 10 10 DGCE Cc1cc(CN)ccc1N1C[C@](C)(F)[C@](C)(Br)C1 2084852584 QCBKPBJKZBHWMT-KGLIPLIRSA-N 315.230 3.156 10 10 DGCE COc1ccc(Br)c(CNCC(C)(C)C)c1O 2214867462 OUSFZLPLSYXJKD-UHFFFAOYSA-N 302.212 3.299 10 10 DGCE OCc1ccc(N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@H]3C2)cc1Br 2264957220 YHWRJNXMHMXTQH-AGCIHXOGSA-N 322.246 3.424 10 10 DGCE CC(F)(F)c1ncc(C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])s1 2289297021 PBYNAJAZENJHCI-RNFRBKRXSA-N 301.322 3.216 10 10 DGCE Cc1ccncc1/C=C\C(=O)N(C[C@H]1CCCO1)c1ccncc1 492496090 ZTQXBVUFBLENDA-PYTPGESOSA-N 323.396 3.010 10 10 DGCE C[C@H](CN(C)C)N(C)[C@H](C)c1cc(Br)ccc1O 2326779101 NOHZGFGQTVHVHC-GHMZBOCLSA-N 315.255 3.098 10 10 DGCE Cc1ccc(CNC(=O)[C@]23C[C@H](C)[C@H]2C3)c(O)c1Br 2352644043 VULOLUSSIGLYJX-ISOBSLSZSA-N 324.218 3.125 10 10 DGCE CCCOc1ccc(/C=C/C(=O)NCCc2ccc(N)cc2)cc1 179042545 MTJNZULDOZCXJK-KPKJPENVSA-N 324.424 3.430 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)[C@@H](C)CC(C)C)cc1 1278287961 AKKBBCABGOBECU-HNNXBMFYSA-N 306.450 3.272 10 10 DGCE Cc1ccc([C@@H](C)NC2CCN(CCOC(C)C)CC2)c(O)c1 185637497 AEMWHNRRSBUYHS-MRXNPFEDSA-N 320.477 3.241 10 10 DGCE CN[C@H](C)c1ccc(N(CCOC)[C@H](C)COC)cc1Cl 78906675 JTJWAIHYVHTBHH-CHWSQXEVSA-N 314.857 3.108 10 10 DGCE COc1ccc(O)c([C@@H](C)NCc2nccn2CC(C)C)c1 185545938 XVNMKGLVVCCMNX-CYBMUJFWSA-N 303.406 3.104 10 10 DGCE CCn1c(C)nnc1CSc1ncc(-c2ccccc2)n1C 194679387 UNZJEAQZAOBBLS-UHFFFAOYSA-N 313.430 3.299 10 10 DGCE CC(=O)N(C(=O)CCc1ccccc1Cl)c1ccc(N)cc1 244036760 SWFUKCCAXCNUDC-UHFFFAOYSA-N 316.788 3.435 10 10 DGCE Cc1ccc(CN(C)C(=O)NCc2ccc(N(C)C)cc2C)o1 802172352 GILWHBLYLWQDGA-UHFFFAOYSA-N 315.417 3.304 10 10 DGCE CN(C)c1ccc(CNC(=O)c2cc[nH]c2C2CCC2)cc1F 809148812 IBBSRZDXUIPCGQ-UHFFFAOYSA-N 315.392 3.417 10 10 DGCE Cc1ccc(O)c(CN[C@H](C)c2ncc(Br)cn2)c1 814301683 BHGPXEMTEMWXNZ-SNVBAGLBSA-N 322.206 3.104 10 10 DGCE C[C@@H](NC(=O)/C=C/C1(C)CCOCC1)c1ccc(N(C)C)cc1 829818691 ZWWNEKGCCWBHLY-BOLDSZDNSA-N 316.445 3.303 10 10 DGCE COc1ccc(N2CCN(Cc3c(C)nsc3C)CC2)cc1 821387992 ZZTZZRYXJUFBOM-UHFFFAOYSA-N 317.458 3.091 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCOCC3(CCC3)C2)cc1 835048147 MIOZPVLBXIMLKH-HWKANZROSA-N 300.446 3.268 10 10 DGCE Cc1cnn([C@@H]2CCN(C/C=C/c3ccc(N(C)C)cc3)C2)c1 835052673 ILNPBORSSVVLGW-VZSQWMKGSA-N 310.445 3.218 10 10 DGCE Cc1cc(C(=O)CN2C[C@@H](C)[C@@H]2C)c(C)n1-c1ccc(F)cn1 830027959 CRGQEIXIIMDCOA-YPMHNXCESA-N 315.392 3.151 10 10 DGCE COC[C@](C)(O)CCN[C@@H](C)c1ccc(Cl)c(Cl)c1O 834843375 IILOUFWJHGKXQX-LKFCYVNXSA-N 322.232 3.137 10 10 DGCE CCCN(CCC)c1ccc(CN2CC[C@@H](CNC)C2)cc1 843052555 NSKWXGWNTAHFHB-SFHVURJKSA-N 303.494 3.354 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@@H]1C[C@H]1C1CC1 840363896 FQJFNGLJGXEQNL-JEBQAFNWSA-N 315.461 3.090 10 10 DGCE Cc1cc(O)c(CN2CCC[C@@H](CO)[C@H]2C(F)(F)F)cc1C 843413429 IXVUHYQQVNJZTB-WFASDCNBSA-N 317.351 3.144 10 10 DGCE CN(C)c1ccc(/C=C\CNC2([C@H]3CCCCO3)CC2)cc1 923028392 PUYCTRVRDNYFGR-OOFWQKGWSA-N 300.446 3.457 10 10 DGCE COc1cc(N(C)Cc2ccnc(F)c2C)cc(OC)c1OC 862305974 ABUFIGNNBXCFDI-UHFFFAOYSA-N 320.364 3.191 10 10 DGCE CC(C)(C)OC(=O)C[C@H]1CCCN(Cc2cc(F)ccc2O)C1 779029613 QNZFEGQRTDAALU-CYBMUJFWSA-N 323.408 3.475 10 10 DGCE Oc1ccc(Cl)c(F)c1CN1CCO[C@H](C(F)F)CC1 872257783 WXOVGWOQNZNZFF-NSHDSACASA-N 309.715 3.041 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2[C@H]3CCC[C@H]32)cc1 787400639 LTARPYVTOHJGDY-BCDXTJNWSA-N 315.461 3.473 10 10 DGCE CC[C@H](NCCc1cnc(C2CC2)nc1)c1ccc(F)cc1O 796846018 DRIOQPBXBZHOOI-INIZCTEOSA-N 315.392 3.482 10 10 DGCE CC1(O)CCC(NCc2cc(Cl)cc(Cl)c2O)CC1 703563056 ISJUPWWEUASAKT-UHFFFAOYSA-N 304.217 3.482 10 10 DGCE Nc1cccc(Br)c1N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 712926880 VCENXZUHKFEEAI-CUOATXAZSA-N 323.234 3.401 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)[C@H]1C[C@@H]1c1ccccc1 1142731187 NSGKEJVZZWFBLK-SJORKVTESA-N 318.376 3.360 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1 1147957523 SKNFUTCRKPXARD-UHFFFAOYSA-N 314.341 3.156 10 10 DGCE COc1ccc(N(C)Cc2nc(O)c3sccc3n2)cc1 1307905833 RCADUOFZXJZEDD-UHFFFAOYSA-N 301.371 3.042 10 10 DGCE O=C(NCc1cccc(O)c1O)c1occc1-c1ccccc1 1303193331 KPZCEMNDYLBWON-UHFFFAOYSA-N 309.321 3.288 10 10 DGCE Cc1nc2ccc(O)cc2cc1C(=O)N[C@@H](C)c1ccccc1O 1171729363 ARBSJTRQSKMIBF-NSHDSACASA-N 322.364 3.445 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)[C@@H]1CCCc2n[nH]cc21 1179032584 MNDGBJCMAFHJJD-CQSZACIVSA-N 321.380 3.005 10 10 DGCE O=C(NCc1cccc(O)c1O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 1347541385 FPSBDIGBPNPVAO-HZSPNIEDSA-N 303.402 3.321 10 10 DGCE CNCc1ccc(N2CC[C@@H]2C(F)(F)F)c(Br)c1 1916173285 ZBMZCMNDWILUDO-LLVKDONJSA-N 323.156 3.310 10 10 DGCE NC(=O)C1CCN(/N=N/c2ccc(Cl)cc2Cl)CC1 1860495245 YXWBSHVRFMEPPP-WUKNDPDISA-N 301.177 3.189 10 10 DGCE C[C@H](NC(=O)N1CC[C@H]2[C@@H](C1)C2(F)F)c1ccc(N(C)C)cc1 1469854164 PRQGKEQBAHFHFP-TUKIKUTGSA-N 323.387 3.110 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC/C=C\C1CC1 1470343809 QZDXHWYUTGTXHA-IYKSTZQJSA-N 315.461 3.257 10 10 DGCE C[C@H](N[C@@H](C)c1ccccc1O)c1nc(O)c2ccccc2n1 1473724143 QBONXJHFBSPYMK-RYUDHWBXSA-N 309.369 3.453 10 10 DGCE C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(F)cc1 1558672412 PZNZMOWFYZLWIY-DKSFEKEHSA-N 301.317 3.128 10 10 DGCE CCCCC(=O)N1CC[C@H](NCc2ccc(OC)c(C)c2)[C@H]1C 1725553885 DLTXIRIWYWVHBP-WBVHZDCISA-N 318.461 3.273 10 10 DGCE Cc1ccc(F)c(N)c1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 1567778729 JXCVTJFWUFJLGZ-LBPRGKRZSA-N 315.392 3.273 10 10 DGCE Cc1noc(-c2ccc(C(=O)N[C@@H](C)c3ccccc3O)cc2)n1 1632250636 ZPSQBDWVBXOXKR-NSHDSACASA-N 323.352 3.242 10 10 DGCE CCN(C)c1ccc(CN2CCC[C@@H]3[C@H](O)C(C)(C)[C@@H]32)cc1 1659755505 QHTPTVJNEMZBON-KSZLIROESA-N 302.462 3.124 10 10 DGCE CC(C)(C)OC(=O)NC1CC(C)([C@@H](N)c2ccccc2O)C1 1934167992 SCIPLCMYQSOGRD-WKXXDYOBSA-N 306.406 3.085 10 10 DGCE O=C(NCc1cc(O)ccc1O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 1593872969 IOSQOZICKDGRTF-UHOFOFEASA-N 303.402 3.321 10 10 DGCE CN[C@H](c1ccccc1O)[C@@H](NC(=O)OC(C)(C)C)C1CCC1 1936969344 YAHQGKVIPUIPBV-JKSUJKDBSA-N 320.433 3.346 10 10 DGCE CN[C@@H](c1ccccc1O)[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 1936973359 GJUSVNBNYIMGEY-MAUKXSAKSA-N 320.433 3.300 10 10 DGCE Oc1ccc(CNc2c(F)c(F)c(F)c(F)c2F)cc1O 158847097 XCYSTINCDBLZKV-UHFFFAOYSA-N 305.202 3.405 10 10 DGCE CC(C)[C@H](NCc1ccc(N2CCOCC2)c(F)c1)C1CC1 165197252 HPYHCZJXKJGJCV-SFHVURJKSA-N 306.425 3.187 10 10 DGCE CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)c1ccc(N(C)C)cc1 1977957447 FNWQIKLCNKCIOH-HOTGVXAUSA-N 322.449 3.479 10 10 DGCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@H]1CCC[C@@H]1N 1978851219 NEONSUJASMWCPN-JKSUJKDBSA-N 319.449 3.027 10 10 DGCE CN[C@H](CC[C@@H]1CCN1C(=O)OC(C)(C)C)c1ccccc1O 1979167520 FSOYLWZGIBIMJE-UKRRQHHQSA-N 320.433 3.442 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN1Cc1ncc(Br)s1 1984488686 BHGQBDNLCQNYRM-SSDOTTSWSA-N 302.201 3.180 10 10 DGCE CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC[C@]1(N)c1ccccc1O 1987824170 FGJTWMNDCYRMKZ-QAPCUYQASA-N 320.433 3.212 10 10 DGCE CN(c1ccc(CN)c(Br)c1)[C@H]1CCC[C@@H]1F 2006793642 KKHZVQPUJYNDLJ-STQMWFEESA-N 301.203 3.235 10 10 DGCE C[C@@H](CN(C)Cc1c(O)cccc1Br)C(F)F 2012204457 XPPQXVXRXHMVCG-QMMMGPOBSA-N 308.166 3.488 10 10 DGCE Cn1nc(C(=O)N2CCC[C@H](N=[N+]=[N-])CC2)c(Cl)c1Cl 2155556567 RDLRCOQESWVKAG-ZETCQYMHSA-N 317.180 3.032 10 10 DGCE COc1ccc(NCc2ccc(O)cc2O)cc1Br 78470452 IYVMUXSAJQQGGS-UHFFFAOYSA-N 324.174 3.481 10 10 DGCE CN(Cc1cc(Cl)cc(Cl)c1O)[C@@H]1CCC[C@@H]1CN 89109185 CLCYEPALZMBLSW-NOZJJQNGSA-N 303.233 3.258 10 10 DGCE CC(C)(C)OCCNCc1c(O)cccc1Br 706821310 BZQUXATVTSRKBG-UHFFFAOYSA-N 302.212 3.059 10 10 DGCE Cc1ccc(O)c([C@H](C)NCc2nn(C)cc2Br)c1 393355369 OUYUHVHFGCWABP-JTQLQIEISA-N 324.222 3.047 10 10 DGCE CNC(=O)c1cc(CC(C)C)nn1[C@@H](C)c1cccc(C)c1O 2070079191 JLOUXRPZFOEUKR-ZDUSSCGKSA-N 315.417 3.065 10 10 DGCE COc1cccc(Cn2nc(C3(C)CC3)c(C(F)F)c2N)c1O 2079717349 WAWCMLKBFUMWNU-UHFFFAOYSA-N 323.343 3.217 10 10 DGCE CC(F)(F)[C@@H]1CCN(c2ccc(CN)c(Br)c2)C1 2042055761 FPLQIZHMLBETIN-SNVBAGLBSA-N 319.193 3.389 10 10 DGCE N[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)C2(CC2)C1 2098854583 FSUHZPPSLFWKFG-NSHDSACASA-N 301.217 3.155 10 10 DGCE COc1ccc(N2CC[C@H](N)[C@H](C)[C@@H]2C)c(Br)c1 2221628268 VABVLXZARBANCU-NRUUGDAUSA-N 313.239 3.020 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@H]1NC(=O)c1cc(Cl)cnc1Cl 2228448588 BBBAJPBMEWQOOI-BDAKNGLRSA-N 300.149 3.350 10 10 DGCE Cc1ccc(/C=C/C(=O)N(C[C@H]2CCCO2)c2ccncc2)cn1 492551629 ULXXKDPSEVRYIQ-IPLHWJFFSA-N 323.396 3.010 10 10 DGCE C[C@@H]1Cc2ccccc2CN1C(=O)C=Cc1ccc(O)c(O)c1 2308001444 JSXWVHGZDIMWFP-CYBMUJFWSA-N 309.365 3.084 10 10 DGCE CCCN1N=C(c2ccccc2)C(=Cc2ccc(O)cc2)C1=O 2332099661 RQJXNDWMJXZQTD-UHFFFAOYSA-N 306.365 3.432 10 10 DGCE CCN1N=C(C(F)(F)F)C(=Cc2cc(Cl)ccc2O)C1=O 2332107722 XHEVPQZMFKLQHW-UHFFFAOYSA-N 318.682 3.209 10 10 DGCE Cc1ccc(CN(C)[C@@H](C)C[C@@H](C)O)c(O)c1Br 2327791017 YFFMLVQCAVFHTF-WDEREUQCSA-N 316.239 3.054 10 10 DGCE Cc1ccc(CNC[C@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]4C3)c(O)c1Br 2352949290 BSSUBEWFCDVEHT-HPCHECBXSA-N 322.246 3.455 10 10 DGCE NC[C@H]1C[C@@H]2CCC[C@@H]2N1Cc1cc(Cl)cc(Cl)c1O 2354707302 KZLMOJVSLPVFAC-BHYNMZESSA-N 315.244 3.401 10 10 DGCE C[C@H](C(=O)Nc1ccc(N)cc1)N(Cc1ccccc1)C1CC1 302868636 IYGVDPAFAHVTOD-CQSZACIVSA-N 309.413 3.260 10 10 DGCE COC(=O)/C=C/c1ccc(N2C[C@@H](C)CC[C@H]2C)c([N+](=O)[O-])c1 301465728 XFFIAMGFYYJTHT-BPDPDCLSSA-N 318.373 3.406 10 10 DGCE CCN[C@@H](C)c1ccc(N2CCn3ccnc3C2)c(Cl)c1 62252964 ROJHDBTWTBXBBW-LBPRGKRZSA-N 304.825 3.227 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1[C@H](COc2ccc(N)cc2)C1(C)C 1952892644 FTOCOZGUOLISEK-CABCVRRESA-N 320.433 3.445 10 10 DGCE Cc1n[nH]c(C(C)C)c1C(=O)N(C)Cc1ccc(N(C)C)cc1 120496720 YQSVHJODZUHISJ-UHFFFAOYSA-N 314.433 3.180 10 10 DGCE CCN[C@H]1c2cc(F)ccc2OC[C@@H]1Sc1nccs1 2363995677 DCTLBCGIILVTQD-STQMWFEESA-N 310.419 3.486 10 10 DGCE C[C@H](N[C@@H](C)c1nnc2n1CCCC2)c1ccc(N(C)C)cc1 130886651 RVORDTJWYFMRPH-KBPBESRZSA-N 313.449 3.092 10 10 DGCE Cc1ccc(Cl)cc1NC(=O)CNCc1ccccc1O 228416020 SZOLAIOWKSXBOO-UHFFFAOYSA-N 304.777 3.082 10 10 DGCE CC(C)(C)[C@H](N)c1ccc(I)cc1O 238174241 AVROLVXARBXVKQ-SNVBAGLBSA-N 305.159 3.043 10 10 DGCE COc1ccc(CN(C)Cc2ccc(OC)c(C)c2)c(O)c1 92787164 YMSSWWBOJBKXJB-UHFFFAOYSA-N 301.386 3.350 10 10 DGCE CC(=O)c1cccc(NC(=O)[C@H](C)Cc2ccc(O)c(O)c2)c1 96785271 QGTSXGXLKHBDLP-LLVKDONJSA-N 313.353 3.118 10 10 DGCE CN[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)[C@H](C)[C@@H]1C 252604363 OTEYGLKPFQKBNR-MISXGVKJSA-N 302.340 3.408 10 10 DGCE C[C@H](N[C@H](C)Cn1cncn1)c1ccc(N2CCCCC2)cc1 269068948 ZRHJKMYDBOGDDV-CVEARBPZSA-N 313.449 3.008 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCOC[C@@H]2C)cc1 278347826 AQJUIXWHDULERV-UGSOOPFHSA-N 312.413 3.249 10 10 DGCE CN1CC[C@H](NCc2ccc(N3CCCC3)cc2)[C@@H]2CCC[C@H]21 367615549 LIFCDHOHLJOCRG-SLFFLAALSA-N 313.489 3.249 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)N2CC[C@@H](C)C2)cc1 800002627 ULQYHEDQFZRYSM-OAHLLOKOSA-N 303.450 3.426 10 10 DGCE COC(=O)CC1(NCc2cc(Cl)c(F)cc2O)CCCC1 816595016 WKCQLYOKCVBLTJ-UHFFFAOYSA-N 315.772 3.150 10 10 DGCE COc1ccc2c(c1)CCCN2C(=O)/C=C/c1cccnc1C 822341811 KHGBKLBYIVGBFG-JXMROGBWSA-N 308.381 3.391 10 10 DGCE C[C@@H](N[C@H](CO)CCc1ccccc1)c1cc(F)ccc1O 903289715 NAPDHLYOWOSLLT-CJNGLKHVSA-N 303.377 3.176 10 10 DGCE CCc1cccc(CN[C@H](c2ccccc2F)[C@@H](C)O)c1O 848920064 WSOFSLPQOUEKCD-PXAZEXFGSA-N 303.377 3.305 10 10 DGCE NCc1ccc2c(c1)CCCN2Cc1cc(F)ccc1[N+](=O)[O-] 843349785 CHOPSDHFACPXMJ-UHFFFAOYSA-N 315.348 3.145 10 10 DGCE CCN(CC)c1ccc(CNCc2cc3n(n2)CCCC3)cc1 848529577 XHRGUSVWOBDDJO-UHFFFAOYSA-N 312.461 3.355 10 10 DGCE C[C@@H](O)[C@@H](NCc1cc(Cl)ccc1O)c1ccccc1F 846017950 RIMPFWQBVWTVPK-QLJPJBMISA-N 309.768 3.396 10 10 DGCE C[C@@H]1CN(Cc2cc3c(cc2O)CCC3)C[C@](C)(C(F)F)O1 853631373 VPOZQLRBGIWJED-PIGZYNQJSA-N 311.372 3.125 10 10 DGCE Cc1nn(C)cc1[C@H]1CCCN1Cc1cc2c(cc1O)CCC2 759157656 GEDGRDNFGYZBCY-GOSISDBHSA-N 311.429 3.260 10 10 DGCE Nc1ccc(C[C@H](O)Cc2cccc(Br)c2)cc1 696515572 QCQRBHJNOROGCL-HNNXBMFYSA-N 306.203 3.177 10 10 DGCE CCOc1cccc(CN[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]32)c1O 850408837 FZYNALMEIGWPEA-RYQLBKOJSA-N 313.372 3.358 10 10 DGCE C[C@@H](N[C@H]1CCCN(C)C1)c1ccc(N2CCCCC2)cc1 765280500 LYORYBVPPPJCMY-AEFFLSMTSA-N 301.478 3.422 10 10 DGCE CCCN(CCC)c1ccc(CN(CC)CC(=O)N(C)C)cc1 768308969 VKYDIGONBGTDPP-UHFFFAOYSA-N 319.493 3.223 10 10 DGCE CCCCS[C@@H](C)C(=O)NCc1ccc2cccnc2c1O 862027843 HRBVCBPCCIJYAJ-LBPRGKRZSA-N 318.442 3.478 10 10 DGCE CC(C)N(Cc1ccccc1)Cc1cc2c(cc1O)OC[C@@H]2O 768437807 IKCSKMOWLBAMGG-SFHVURJKSA-N 313.397 3.229 10 10 DGCE O=C(N1Cc2cccc(O)c2C1)C1(c2ccc(F)cc2)CCC1 871198956 PWLWPMMVUBWRAS-UHFFFAOYSA-N 311.356 3.495 10 10 DGCE Clc1cccc(N2CCN(c3ccc4c(c3)OCO4)CC2)c1 71702937 BLEAJUILOGVJQF-UHFFFAOYSA-N 316.788 3.395 10 10 DGCE O=C(Nc1c(Cl)ccc2nonc12)c1nccc2occc12 1128604298 UJDQUPIUIPQBEQ-UHFFFAOYSA-N 314.688 3.270 10 10 DGCE C[C@@H]1CCN(C(=O)OC(C)(C)C)CCN1c1ccc(N)cc1 1959554086 RGDVDAGQZCFQRO-CYBMUJFWSA-N 305.422 3.105 10 10 DGCE Cc1cccc(CN[C@@H]2CN(Cc3ccccc3)C[C@H]2C)c1O 389792680 QYOLYXLEPBFDIA-VQIMIIECSA-N 310.441 3.311 10 10 DGCE C[C@@H]1O[C@H](C)CN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)[C@H]1C 782623517 YKFUZKZFYZCFGS-KBXIAJHMSA-N 319.449 3.021 10 10 DGCE C[C@H](N)c1ccc(N(CCO)Cc2ccccc2)cc1Cl 78907693 GQRCTVZWUXOACU-ZDUSSCGKSA-N 304.821 3.359 10 10 DGCE Oc1c(F)cc(Br)cc1CNc1cccc(F)n1 715812414 KILWHPUQKYBSOF-UHFFFAOYSA-N 315.117 3.440 10 10 DGCE CC(C)[C@@H](C(=O)NCc1ccc(O)cc1O)c1ccc(F)cc1 1162278354 HJTJCUQMRUFMGL-QGZVFWFLSA-N 317.360 3.293 10 10 DGCE C/C(=C\c1ccccn1)C(=O)NCc1ccc(N(C)C)c(F)c1 1264827100 OFUKEAVJDLBZSZ-JLHYYAGUSA-N 313.376 3.006 10 10 DGCE CCc1nocc1C(=O)NCc1cc(Cl)cc(Cl)c1O 1298840682 GBRQULZZFNUOPY-UHFFFAOYSA-N 315.156 3.179 10 10 DGCE C[C@H]1CN[C@@H](C)CN(Cc2cc(Cl)cc(Cl)c2O)C1 1921507686 JCUSJGKPCMRCDJ-UWVGGRQHSA-N 303.233 3.129 10 10 DGCE CC(C)c1ccc2c(c1)CCN(C(=O)c1cccc(O)c1O)C2 1472429889 BXSWDTXIYXAMMB-UHFFFAOYSA-N 311.381 3.420 10 10 DGCE COc1ccc(N(C)C[C@H]2CC[C@@H](C(F)(F)F)O2)cc1F 1473251864 XWPDCSPFWKBXER-MFKMUULPSA-N 307.287 3.380 10 10 DGCE COc1ccc(CNC(=O)c2ccsc2C(F)F)c(O)c1 1556354238 CJTZEEQJCIRJEA-UHFFFAOYSA-N 313.325 3.330 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N[C@@H](c1ccccc1)c1ccco1 1638230401 FOEDCKCXSPMNIE-IBGZPJMESA-N 323.348 3.139 10 10 DGCE CN(C)c1ccc(CN2CCN(C)[C@H](Cc3ccccc3)C2)cc1 1645534802 RWNQKMYVVLXIKX-OAQYLSRUSA-N 323.484 3.111 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccns1 1587551936 IOHMYIBSVIMHEN-UHFFFAOYSA-N 301.415 3.016 10 10 DGCE C/C(=C\C(=O)NCc1c(O)cccc1F)c1ccc(F)cc1 1596913450 YWFLCLSVIDDAPV-PKNBQFBNSA-N 303.308 3.390 10 10 DGCE Cc1ccc(-c2ccc(=Nc3ccc([N+](=O)[O-])cc3O)[nH]n2)cc1 1859857998 UTNMXRWWQUWTMC-UHFFFAOYSA-N 322.324 3.231 10 10 DGCE Nc1ccc(CCC(=O)N[C@H]2CC[C@@H]2OCc2ccccc2)cc1 1950400226 BPLPCYNYGFPWNM-OALUTQOASA-N 324.424 3.065 10 10 DGCE Cc1sc(C)c(S(=O)(=O)Nc2ccc(O)cc2F)c1C 2145851779 QHAFCPGFYQTHLV-UHFFFAOYSA-N 315.391 3.319 10 10 DGCE Oc1cccc(Br)c1CNCCOCCC1CC1 1974191109 NFAGYOWMUXGITO-UHFFFAOYSA-N 314.223 3.061 10 10 DGCE COc1cc(Cl)cc(CN[C@H](C)COC(F)(F)F)c1O 1974267129 QUUAJDPJVNBYJM-SSDOTTSWSA-N 313.703 3.069 10 10 DGCE Cc1cccc(N)c1N[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 1977663679 BQNBGIUCXHCWOE-VNHYZAJKSA-N 317.433 3.245 10 10 DGCE CN(C)c1ccc([C@H](O)CC2CN(C(=O)OC(C)(C)C)C2)cc1 1977938723 KQWWCIUUUAPKFY-MRXNPFEDSA-N 320.433 3.043 10 10 DGCE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N(C)c1ccc(N)cc1 1977950735 JTLIPRSHJBORFX-BBRMVZONSA-N 319.449 3.351 10 10 DGCE CC(C)(C)OC(=O)N1CCC2CC1([C@@H](N)c1ccccc1O)C2 1989647058 KZZSDHMNKMCVJO-KVIBHRHWSA-N 318.417 3.182 10 10 DGCE CN(C[C@H]1CCSC1)c1ccc(CN)cc1Br 718479465 NFXZFBBKJALWER-LLVKDONJSA-N 315.280 3.097 10 10 DGCE O=C(Nc1ccc(O)c(O)c1)[C@@H]1CCC[C@H](C(F)(F)F)C1 2062727150 QLSYIJVUAKJNNX-BDAKNGLRSA-N 303.280 3.405 10 10 DGCE COc1ccc(Cn2nc(C(C)(C)C)c(C3CC3)c2N)c(O)c1 2079774828 MWDJKYOYVKRHHS-UHFFFAOYSA-N 315.417 3.403 10 10 DGCE C[C@@H](N)c1ccc(N(C)C[C@@]2(C)CSCCO2)cc1Cl 2201257536 PIOAYAIGDRMEID-ABAIWWIYSA-N 314.882 3.318 10 10 DGCE C[C@H](c1cc(Br)ccc1O)N(C)CCOC(F)F 2082821261 BYLJWJFOBFGTPZ-MRVPVSSYSA-N 324.165 3.387 10 10 DGCE C[C@@H](O)c1ccc(N2CC3(CC=CCO3)C2)cc1Br 2094981041 FCSIRQQTUBBNJB-LLVKDONJSA-N 324.218 3.038 10 10 DGCE Oc1cc(Br)ccc1CNc1ccc2ccnn2c1 2271509504 HHJLWMVVJZZQKK-UHFFFAOYSA-N 318.174 3.415 10 10 DGCE COc1ncc(Cl)cc1NCc1ccc(F)c(F)c1O 2232893731 VUINTFAGTPWVHH-UHFFFAOYSA-N 300.692 3.340 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)c1cc(Cl)cnc1Cl 2228448591 BBBAJPBMEWQOOI-RKDXNWHRSA-N 300.149 3.350 10 10 DGCE OCc1ccc(N2C[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2)cc1Br 2264957223 YHWRJNXMHMXTQH-JLUCKKNBSA-N 322.246 3.424 10 10 DGCE C[C@H](N)c1ccc(N2CCO[C@@H](P(C)(C)=O)C2)c(Cl)c1 2289304576 GZCCLCWVJYLQNN-HZMBPMFUSA-N 316.769 3.145 10 10 DGCE CSCCCCNC(=O)c1cc(C)n(-c2ccccn2)c1C 119077048 KNRCPUVXOQYTSZ-UHFFFAOYSA-N 317.458 3.362 10 10 DGCE Cc1cc(Cl)cc(CN2CCC[C@@H](c3ccn[nH]3)C2)c1O 179780542 JGOXANQBSOWPJV-GFCCVEGCSA-N 305.809 3.457 10 10 DGCE COc1ccccc1/N=N\c1c(C(=O)O)nc2c(O)cccn12 71602050 NQTDLAHRHSPKNX-ZCXUNETKSA-N 312.285 3.162 10 10 DGCE CN(CCCC(=O)Nc1ccc(N)cc1)Cc1ccsc1 35718445 WQVLJORIDGZYDG-UHFFFAOYSA-N 303.431 3.181 10 10 DGCE C[C@@H]1SCCN(c2ccc(CN)c(Br)c2)[C@@H]1C 228155797 ZTISJDNOGNVMNZ-ZJUUUORDSA-N 315.280 3.238 10 10 DGCE CC(C)(C)[C@@H](Cn1ccnc1)NCc1c(O)cccc1Cl 83552078 JOKXQJHCKKZVCW-OAHLLOKOSA-N 307.825 3.447 10 10 DGCE CCN(CC(C)(C)CN)c1c(Cl)cc(OC)cc1OC 2368286670 YYZDTZYTTFAULY-UHFFFAOYSA-N 300.830 3.168 10 10 DGCE CCCNCc1ccc(OC)c(C[S@](=O)C2CCCC2)c1 84050212 VVQAUXAZBQOGOX-OAQYLSRUSA-N 309.475 3.386 10 10 DGCE COc1ccc(N2CCN(Cc3cnoc3C(C)C)CC2)cc1 238862294 KYHDAOHVPKIUPH-UHFFFAOYSA-N 315.417 3.129 10 10 DGCE Cc1cc(O)c(CN2CCCC[C@@H](N3CCCC3)C2)cc1C 92785630 UVQBPHKTASKWFD-GOSISDBHSA-N 302.462 3.459 10 10 DGCE Cc1cc(C(=O)N[C@H]2CC[C@H](O)CC2)c(C)n1-c1ccccc1 245560908 UVUIITWMRUTLKM-JCNLHEQBSA-N 312.413 3.127 10 10 DGCE Cc1ncc(/C=C\C(=O)N(CCN(C)C)c2ccccc2)s1 255207207 MSFDLGKZMZRIHR-KTKRTIGZSA-N 315.442 3.060 10 10 DGCE COc1cc(Cl)cc(CN[C@H](C)[C@H](O)c2ccccc2)c1O 289998106 CTPCGJNNOVKRAO-BZNIZROVSA-N 321.804 3.266 10 10 DGCE CCOc1ccc(O)c(CN2CC3(CCOCC3)[C@H]2C2CC2)c1 293580026 HRAALBIQYKLWDQ-GOSISDBHSA-N 317.429 3.182 10 10 DGCE CCOc1cccc(CNCC(C)(C)C2(O)CCCC2)c1O 825231688 DBKVVTILRCZINQ-UHFFFAOYSA-N 307.434 3.212 10 10 DGCE COc1ccc(F)c(/C=C2\SC(N3CCCCC3)=NC2=O)c1 834408926 OVTDWYKJVUQGIH-UVTDQMKNSA-N 320.389 3.291 10 10 DGCE CC[C@H](N[C@H](CC)c1cc(Cl)cc(Cl)c1O)C(=O)NC 834911198 HUMJELYLSCFIJM-NEPJUHHUSA-N 319.232 3.264 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@H](CC(C)(C)C)C(=O)O)cc1 901806337 PNKLWKFUIJCZNJ-MWWKQMNYSA-N 304.434 3.245 10 10 DGCE CC[C@@H](C)CN(C)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] 732049462 XYOXAAXIOSUAMW-ZVTBTPLYSA-N 306.362 3.263 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCC[C@H]([C@@H]3CCNC3)C2)cc1 843125224 OKYAZNJCUAGJPP-QLGSUFQJSA-N 313.489 3.087 10 10 DGCE Cc1ccc(O)c(CNC[C@@H]2CSc3ccccc3O2)c1 842726710 MILZRGOAHIEYBE-CQSZACIVSA-N 301.411 3.344 10 10 DGCE CC1(CNCc2ccc(N3CCOCC3)c(F)c2)C[C@H]2C[C@@H]2C1 858289948 CCXYTUBMRQIRMO-HZPDHXFCSA-N 318.436 3.188 10 10 DGCE Cc1ccc(O)c([C@H](C)N[C@H]2CCC[C@H]2Cc2cnn(C)c2)c1 850541155 SMIQWOOIPHODIF-ZVZYQTTQSA-N 313.445 3.496 10 10 DGCE CCOc1ccc(CN[C@@H](c2ccccc2)[C@@H](C)O)c(O)c1 850419402 DKNQJEZPTADELT-FZKQIMNGSA-N 301.386 3.003 10 10 DGCE C[C@H](NCCC[C@@H]1CCCC[C@@H]1O)c1cc([N+](=O)[O-])ccc1O 756758441 GUAYQSMRKKOWCB-XEZPLFJOSA-N 322.405 3.282 10 10 DGCE COc1ccc(N2CC[C@H](N[C@@H](C)CC3CCOCC3)C2)cc1 850486171 ABAAYYIZYIZAKD-RDJZCZTQSA-N 318.461 3.069 10 10 DGCE COC(=O)c1ccc(O)c([C@H](C)N[C@H]2CCS[C@@H](C)C2)c1 927032411 MZKIGKDHMQUKIG-GVXVVHGQSA-N 309.431 3.114 10 10 DGCE O=[N+]([O-])c1ccc(O)c(CNCC2C[C@@H]3CC[C@H](C2)S3)c1 922425670 ZTDPEIVKVKTKKP-FTNCPSPGSA-N 308.403 3.064 10 10 DGCE O=C(NCc1cc(Br)ccc1O)[C@@H]1CCC[C@@H]2C[C@H]21 854442932 ZJCJFIOQJKLGJK-OASPWFOLSA-N 324.218 3.207 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCOC[C@@H]1C 766392096 GPQYEXOPJCXXMW-MAUKXSAKSA-N 318.461 3.162 10 10 DGCE C[C@H](NC(=O)NCC(C)(C)N1CCCCC1)c1ccccc1O 867982470 BYYFJTDETUYHSF-AWEZNQCLSA-N 319.449 3.017 10 10 DGCE CCOc1ccc(CN2CCC[C@]3(CCCOC3)C2)c(O)c1 769484029 JKQGENZKEOTSKE-SFHVURJKSA-N 305.418 3.184 10 10 DGCE CCCOc1cccc(CC(=O)N2Cc3cccc(O)c3C2)c1 871204005 VRYQKZQWDSKRFL-UHFFFAOYSA-N 311.381 3.266 10 10 DGCE Cc1cc(Br)c(O)c(CN2C[C@H](C)OC[C@@H]2C)c1 781896039 GMJHFZOKHPYCSJ-QWRGUYRKSA-N 314.223 3.072 10 10 DGCE Cc1coc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)c1 893881531 VXVNSHIPTWZDSR-INIZCTEOSA-N 301.386 3.475 10 10 DGCE COc1cc(C)cc(CN[C@H](c2ccccc2F)[C@@H](C)O)c1O 895133504 KRPXGMZBAPTOJL-PXAZEXFGSA-N 319.376 3.060 10 10 DGCE Cn1ccc2ccc(C(=O)NCc3cccc(Cl)c3O)cc21 1305085160 RDCRAFRUTVJJRZ-UHFFFAOYSA-N 314.772 3.467 10 10 DGCE O=C(NCCCCCc1ccccc1)c1c(F)ccc(O)c1O 1306489984 HPOQHMUPONNHFA-UHFFFAOYSA-N 317.360 3.380 10 10 DGCE c1cc2c(cc1CNCC1([C@H]3CCCCO3)CCC1)CCO2 1308479880 PSCOTCYMZJPASS-GOSISDBHSA-N 301.430 3.451 10 10 DGCE C[C@H]1CC(CNC(=O)NCc2c(O)cccc2F)C[C@H](C)C1 1230793593 PNNIFFHBWZBGJZ-VXGBXAGGSA-N 308.397 3.403 10 10 DGCE Cc1ccc(CN[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)c(O)c1 1621451607 YWEFCJDZVAUBED-GOSISDBHSA-N 320.433 3.190 10 10 DGCE CN(C)c1ccc(OCC[C@H](N)COCc2ccccc2)cc1 1902792228 HSTWRLDDNAUANP-KRWDZBQOSA-N 314.429 3.066 10 10 DGCE CC[C@@H](CNC(=O)C1(CC)CC1)NCc1ccc(OC)c(C)c1 1269467136 SKLJGDUNWCNHRI-INIZCTEOSA-N 318.461 3.178 10 10 DGCE CCC(=O)N1CCC[C@@H](CCNCc2ccc(OC)c(C)c2)C1 1267871393 FQNCYCDFGDHDTJ-INIZCTEOSA-N 318.461 3.132 10 10 DGCE COc1ccc(N(CCc2ccccc2)Cc2cnon2)cc1 1459719674 WTXUGNCHUQYVHG-UHFFFAOYSA-N 309.369 3.328 10 10 DGCE COc1nc(C(=O)N[C@H](C)c2ccccc2O)cc2ccccc12 1557967242 XXODFFSIDAEGLT-GFCCVEGCSA-N 322.364 3.440 10 10 DGCE O=C(CCOc1ccccc1)NCc1ccc2cccnc2c1O 1570531962 UZBMXSMZIUXBME-UHFFFAOYSA-N 322.364 3.026 10 10 DGCE COC(=O)CN(Cc1ccc(N(C)C)c(C)c1)C1CCCCC1 1647471817 ACSPBSORXJLSKY-UHFFFAOYSA-N 318.461 3.369 10 10 DGCE c1ccc(C[C@H]2C[C@@H]2NCc2ccc(N3CCOCC3)cc2)cc1 1656529909 PTDWOJQFINZBCY-FPOVZHCZSA-N 322.452 3.244 10 10 DGCE Cc1cccc(C(=O)C(=O)NCc2c(O)ccc3ccccc23)c1 1652709301 ZAUYATKOWODJBJ-UHFFFAOYSA-N 319.360 3.353 10 10 DGCE CN(C(=O)/C=C\c1cn(C)cn1)c1ccc(-c2nccs2)cc1 1596779397 SSVNEHWDGWTYMU-YVMONPNESA-N 324.409 3.220 10 10 DGCE CC[C@@H]1C[C@H]1NC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C 1672169810 TZOKPRUIGBHIKJ-JJRVBVJISA-N 303.450 3.090 10 10 DGCE CC[C@H]1CN(C(=O)OC(C)(C)C)CCN1CCCCN=[N+]=[N-] 1962287521 JEAOFFKGOPTTEC-ZDUSSCGKSA-N 311.430 3.408 10 10 DGCE C[C@H](C1CN(C(=O)OC(C)(C)C)C1)N(C)CCCCN=[N+]=[N-] 1962303389 GXPQYRVJUPLHQQ-GFCCVEGCSA-N 311.430 3.264 10 10 DGCE CCN[C@@H](CC1CN(C(=O)OC(C)(C)C)C1)c1ccccc1O 1936978684 XQNWMJDCYCIZKG-HNNXBMFYSA-N 320.433 3.300 10 10 DGCE CN[C@H](CCN(C(=O)OC(C)(C)C)C1CC1)c1ccccc1O 1936970238 JYASPQVGMFLAAX-OAHLLOKOSA-N 320.433 3.442 10 10 DGCE Nc1ccc(CC[C@H](O)c2csc(C(F)(F)F)n2)cc1 2144151996 YOMZBTXRGYMOKH-NSHDSACASA-N 302.321 3.410 10 10 DGCE Nc1ccc(OCCOc2cccc(Br)c2)cc1 32209322 MPAJKPFNJVSNRY-UHFFFAOYSA-N 308.175 3.489 10 10 DGCE COc1ccc(Br)c(CN[C@@H]2CC[C@H]2C)c1O 1964061771 KBVUJXBVBLDYQP-LDYMZIIASA-N 300.196 3.051 10 10 DGCE CN(C)c1ccc([C@H](CNCC2CCSCC2)N(C)C)cc1 898446832 CBVDOWDRMNBVNV-SFHVURJKSA-N 321.534 3.088 10 10 DGCE Oc1c(F)cc(Br)cc1CNCC1[C@@H]2CC[C@@H]12 1966076405 GWTSMWIFMMJNRS-NXEZZACHSA-N 300.171 3.039 10 10 DGCE CN(CCC(C)(C)O)c1ccc(CNC(=O)OC(C)(C)C)cc1 1966415495 NPEKKAWJFWKJNQ-UHFFFAOYSA-N 322.449 3.309 10 10 DGCE CC(C)CN(c1ccc(N)cc1)C1CN(C(=O)OC(C)(C)C)C1 1977942971 MELIITWWLNNYPU-UHFFFAOYSA-N 319.449 3.351 10 10 DGCE N[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CC2(CCC2)C1 2151124669 CMMPQFNQUWWESP-GFCCVEGCSA-N 315.244 3.402 10 10 DGCE CN(C)c1ccc([C@H](N)c2csnc2Br)cc1 1999506478 QUGBRRLXSLFQEZ-NSHDSACASA-N 312.236 3.020 10 10 DGCE CO[C@@H]1CCCN(Cc2cc(Br)ccc2O)[C@@H]1C 2037811770 IUXKWMPCVJEDBG-QMTHXVAHSA-N 314.223 3.154 10 10 DGCE CCNCc1ccc(N2C[C@@H]3CC[C@H]3C2)cc1Br 688323568 VRKJTYRHCSOXHM-STQMWFEESA-N 309.251 3.405 10 10 DGCE C[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)C[C@@H]1C(=O)O 693494235 HYOMNDODUQMEFA-KWQFWETISA-N 318.200 3.242 10 10 DGCE Oc1c(F)cc(Br)cc1CNCC1(C(F)F)CC1 715810417 BACQOBHLKQDCFJ-UHFFFAOYSA-N 324.140 3.429 10 10 DGCE COc1cccc(O)c1[C@@H](C)n1nc(C2CC2)cc1CN(C)C 2070153125 OYXAKMXANBCJIY-GFCCVEGCSA-N 315.417 3.146 10 10 DGCE Clc1cscc1COc1ccc(N2CCNCC2)cc1 2176865121 MMUJCOJCWUONJA-UHFFFAOYSA-N 308.834 3.390 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1C[C@@H]2[C@@H]1[C@H]1CC[C@H]2O1 2188732291 TZOVNHAIEUYQIC-RBQFQAMWSA-N 314.212 3.355 10 10 DGCE CCc1ncncc1NCc1c(O)cccc1Br 2058448907 WWPXCKAVCPIWQS-UHFFFAOYSA-N 308.179 3.119 10 10 DGCE C[C@@H](N)c1ccc(N(C)C2CSCCSC2)c(F)c1 2228755036 URHOACIZYWJOQD-SNVBAGLBSA-N 300.468 3.130 10 10 DGCE CCN1C(=O)C(=Cc2c[nH]nc2-c2ccccc2)SC1=S 2295450056 JLYWYKFDUSBXOI-UHFFFAOYSA-N 315.423 3.298 10 10 DGCE NCc1ccc(N2C[C@@H]3[C@@H](C(F)(F)F)C[C@H]3C2)c(Cl)c1 2281172211 DMIDZWBXYFFRBM-DCAQKATOSA-N 304.743 3.433 10 10 DGCE COc1ccc2oc(C=C3SC(=S)N(C)C3=O)cc2c1 2305007778 LOINEYSXJFVBDH-UHFFFAOYSA-N 305.380 3.272 10 10 DGCE CS[C@@H]1CC[C@H]1N(C)c1ccc(CO)cc1Br 2307888759 YBWOFVQZBOCRMI-CHWSQXEVSA-N 316.264 3.272 10 10 DGCE CO[C@H]1C[C@@H]2C[C@@H](Nc3c(N)cccc3Br)[C@@H]2C1 2310852571 HGBODEPEXRMSMT-BSTOTGJRSA-N 311.223 3.257 10 10 DGCE Cc1cc(Br)c(CN2CCC[C@@H](N=[N+]=[N-])C2)cn1 2315997241 FUWSLYWTBVQKJX-LLVKDONJSA-N 310.199 3.427 10 10 DGCE CC(C)[C@H](O)C(C)(C)NCc1ccc(Br)cc1O 2318034164 YUIRHSYRZXVBAN-ZDUSSCGKSA-N 316.239 3.040 10 10 DGCE CC[C@@H]1CCCCN1N=Nc1ccc2c(c1)OCC(=O)N2C 2330245953 XLIQDYDEPZASRG-CYBMUJFWSA-N 302.378 3.305 10 10 DGCE CCCC1=NN(CCC)C(=O)C1=Cc1ccccc1[N+](=O)[O-] 2332144823 QJJSQUOJOSOLOM-UHFFFAOYSA-N 301.346 3.387 10 10 DGCE Cc1ccc(O)c(CN=c2[nH]n(C(C)C)cc2Br)c1 2341143564 PRLBTMNGZNOHDI-UHFFFAOYSA-N 324.222 3.275 10 10 DGCE C[C@H](NC(=O)[C@H](C)N(C)Cc1ccccc1O)c1ccccc1 109771818 VQEJIDZPNTYGKJ-GJZGRUSLSA-N 312.413 3.090 10 10 DGCE C[C@H](NC[C@H](C)N(C)C(=O)OC(C)(C)C)c1cc(O)ccc1O 304281052 MGRAAEYIXHCVCR-RYUDHWBXSA-N 324.421 3.004 10 10 DGCE Cc1ccc([C@H](C)N[C@@H]2CCc3nc(C(C)C)nn3C2)c(O)c1 185997180 PHTDOJKVHGIANK-UONOGXRCSA-N 314.433 3.081 10 10 DGCE CCN(Cc1ccc(N)cc1)c1ccc(Br)cn1 37671617 HLGOUFNNHLFRQZ-UHFFFAOYSA-N 306.207 3.453 10 10 DGCE NCc1ccc(N2Cc3ccccc3C2)c(Br)c1 212996130 KFNYQYZJSGBWAN-UHFFFAOYSA-N 303.203 3.428 10 10 DGCE CCCOc1ccc(CN(CCO)c2ccccc2)c(O)c1 191970205 HWKUEAGJSJQQFI-UHFFFAOYSA-N 301.386 3.180 10 10 DGCE Cc1nn(CCCOc2ccc(N)cc2)c(C)c1Br 50588683 FJYBGEOYAFNGSH-UHFFFAOYSA-N 324.222 3.314 10 10 DGCE COc1cccc(CCCOC(=O)Nc2ccc(N)cc2)c1 244305090 XABKTQHKIINXFJ-UHFFFAOYSA-N 300.358 3.459 10 10 DGCE Cc1cnn([C@@H]2CCN(Cc3cc(Cl)c(F)cc3O)C2)c1 293835665 GVJABBJADRWDSI-GFCCVEGCSA-N 309.772 3.137 10 10 DGCE [N-]=[N+]=N[C@H]1CCN(Cc2c(Cl)nc(Cl)nc2Cl)C1 2255415904 FAIODBLJIAZICO-YFKPBYRVSA-N 307.572 3.321 10 10 DGCE COc1ccc(N(C)C(=O)/C=C/c2cncc(C)c2)cc1F 132871001 MTMKCZKSHLPMPO-QPJJXVBHSA-N 300.333 3.214 10 10 DGCE Cc1cc(Cn2cc([N+](=O)[O-])c(C)n2)ccc1N1CCCCC1 829601657 GUFVTGFUDIIGKF-UHFFFAOYSA-N 314.389 3.447 10 10 DGCE CC(C)CN1CCC(NC/C=C\c2ccc(N(C)C)cc2)CC1 835035165 GIIFSCHNOTVFDD-WAYWQWQTSA-N 315.505 3.476 10 10 DGCE Cc1cccc([C@H](O)CNC/C=C\c2ccc(N(C)C)cc2)c1 835043881 UWAQANYVTNALOB-MWGFUINXSA-N 310.441 3.397 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@@H]2CCCc3c2cnn3C)cc1 835036376 PBGNKMOZLPTHEP-DUMMIQTOSA-N 310.445 3.167 10 10 DGCE CCOc1ccc(CN2CCC[C@H](C3CCNCC3)C2)c(O)c1 849350796 WSLJPAUVTOGLCP-INIZCTEOSA-N 318.461 3.003 10 10 DGCE CCc1cccc(CN[C@H]2CCN(c3ccc(F)cc3)C2)c1O 848917388 FOTUASRWBVZNNP-KRWDZBQOSA-N 314.404 3.462 10 10 DGCE C[C@H](O)[C@@H](N[C@@H]1CCc2cccc(O)c21)c1ccccc1F 846181557 CFEARDPGCRTEHO-BKGUAONASA-N 301.361 3.230 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1cc(C(=O)O)oc1C 911324073 RLYLTCILRPWFOV-UHFFFAOYSA-N 317.341 3.044 10 10 DGCE COc1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2C2CC2)c(O)c1 843874433 KKEDGRZGHNPHIC-HZPDHXFCSA-N 303.402 3.233 10 10 DGCE CN(C)c1ccc(CN[C@@H]2CCCCNC2)c(C(F)(F)F)c1 841089682 JSEMDQDGOVVVKE-CYBMUJFWSA-N 315.383 3.003 10 10 DGCE CC[C@H](COCC1CC1)N[C@H](C)c1cc([N+](=O)[O-])ccc1O 850495206 YJHMJTHBOZVQCR-DGCLKSJQSA-N 308.378 3.156 10 10 DGCE NC[C@]1(c2ccccc2)C[C@@H](N[C@@H]2CCc3cccc(O)c32)C1 925880788 BHVJEDZVAPWISH-HLIPFELVSA-N 308.425 3.028 10 10 DGCE COc1cc(CN[C@H]2COCC2(C)C)c(O)c(C(C)(C)C)c1 850318062 ONPGISIRYXILIH-HNNXBMFYSA-N 307.434 3.213 10 10 DGCE CCc1nc(CNCc2cc(F)c(N(C)C)cc2F)cs1 858131157 LYKVZVDJWLRJKQ-UHFFFAOYSA-N 311.401 3.340 10 10 DGCE CCCN1CCC(Nc2c(N)cccc2Br)CC1 697531202 KIKVFDQKHGMZOW-UHFFFAOYSA-N 312.255 3.318 10 10 DGCE CC[C@H](N[C@H]1C[C@@H](C)n2ncnc21)c1cccc(Cl)c1O 850498827 DQCRJYSSLHXFCY-ICCXJUOJSA-N 306.797 3.384 10 10 DGCE C[C@@H]1C[C@H](NC[C@@H](O)Cc2ccccc2)c2c(O)ccc(F)c21 756547676 GFLUYATTWWXVJS-INWMFGNUSA-N 315.388 3.273 10 10 DGCE CN(c1ccc(CNC(=O)c2cccnn2)cc1)C1CCCCC1 858829861 NVLBXWRKZIZNAO-UHFFFAOYSA-N 324.428 3.176 10 10 DGCE Cc1ccc(C(=O)OCc2nc3cc(F)ccc3o2)c(O)c1O 757061417 LWXRBDFZQORSJC-UHFFFAOYSA-N 317.272 3.044 10 10 DGCE O=C(NCCCSc1nccs1)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21 865784458 YLXWDPNQOXOLQL-KSSYENDESA-N 308.472 3.034 10 10 DGCE COc1cc(N(C)CCCc2ccncc2)cc(OC)c1OC 764959399 DGLCZYGGBHGHIC-UHFFFAOYSA-N 316.401 3.176 10 10 DGCE Cc1cc(Br)c(O)c(CN(C)CCCCCO)c1 789763662 OUCPTFPPGGMDAW-UHFFFAOYSA-N 316.239 3.058 10 10 DGCE C[C@H]1[C@@H](C)O[C@H](C)CN1Cc1cc(Br)ccc1O 783738883 YHKIJZVYMDOLOE-OUAUKWLOSA-N 314.223 3.152 10 10 DGCE COc1ccc(/C(C)=C\C(=O)NCc2ccc(N(C)C)cc2)cc1 1135825531 XMJDAQYABLBFMK-SQFISAMPSA-N 324.424 3.481 10 10 DGCE C[C@@H]([C@H](O)c1ccc(N(C)C)cc1)N(C)C(=O)OC(C)(C)C 1959572606 YDCOAIHUCSHMKX-WFASDCNBSA-N 308.422 3.041 10 10 DGCE C[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@@H](C)S1 896701036 MAAMRCBHKDMHSE-RKDXNWHRSA-N 323.439 3.279 10 10 DGCE C[C@@H]1C[C@@H](NCc2ccccc2O)CN(C(=O)OC(C)(C)C)C1 401671439 LOQKQCSSQVFEDY-UKRRQHHQSA-N 320.433 3.127 10 10 DGCE COc1cc(C)cc(CN2CCC=C(Br)C2)c1O 799574385 LMPGMPWCPFYUAI-UHFFFAOYSA-N 312.207 3.194 10 10 DGCE CC(C)CC[C@](C)(O)CNCc1c(O)ccc(Cl)c1F 790971106 OTOUMMCNAOSXDX-HNNXBMFYSA-N 303.805 3.462 10 10 DGCE Cc1ccncc1CNCc1ccc(N2CCSCC2)cc1 792921443 NKGZAUYASBPDJR-UHFFFAOYSA-N 313.470 3.233 10 10 DGCE C[C@H](CCc1ccccc1F)C(=O)NCc1cc(O)ccc1O 1153884392 DHNGEFSDWGIUEQ-GFCCVEGCSA-N 317.360 3.122 10 10 DGCE CCN(CCN=[N+]=[N-])C(=O)c1cscc1Br 1900606370 CUWNHQIKZYPRIA-UHFFFAOYSA-N 303.185 3.283 10 10 DGCE CN(Cc1ccccc1O)C(=O)NC[C@H]1C[C@@H]1Cc1ccccc1 1346955089 WNKXMUSOPBQNDJ-ZWKOTPCHSA-N 324.424 3.412 10 10 DGCE [N-]=[N+]=NC1CCN(C(=O)c2ccc(Cl)nc2Cl)CC1 1912205436 OVQBIPINGBEKLG-UHFFFAOYSA-N 300.149 3.303 10 10 DGCE CO[C@H]1CCN(c2ccc([C@H](C)O)c(Br)c2)[C@H]1C 1914235120 AJWRBXMMGXUCMP-BHDSKKPTSA-N 314.223 3.116 10 10 DGCE CCOc1nc2cc(NC(=O)c3cc(O)cs3)ccc2o1 1298221314 HMRBNVDNLNVNRF-UHFFFAOYSA-N 304.327 3.246 10 10 DGCE C[C@H](NC(=O)[C@@H](C)CSC(F)(F)F)c1ccccc1O 1471195495 YMQYZCARUMJFON-IUCAKERBSA-N 307.337 3.459 10 10 DGCE O=C(CCc1ccc(F)cc1)NCc1ccc2cccnc2c1O 1627068723 DEEBWXIMPDQVTG-UHFFFAOYSA-N 324.355 3.329 10 10 DGCE CC[C@@H](CC[C@H](N)c1ccccc1O)NC(=O)OC(C)(C)C 1928467372 JWUGKUUSTDTLCZ-JSGCOSHPSA-N 308.422 3.476 10 10 DGCE C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)[C@@H](N)c1ccccc1O 1928837975 LWLMTMZAEZITSS-RISCZKNCSA-N 308.422 3.331 10 10 DGCE C[C@@H](CCN(C)C(=O)OC(C)(C)C)N(C)c1ccc(N)cc1 1960839193 IDPLKHXBUSUTDI-ZDUSSCGKSA-N 307.438 3.351 10 10 DGCE Cc1ccc(C(=O)NC[C@H]2C[C@H]2Cc2ccccc2)c(O)c1O 1648797933 KWMUCMTUTDUORY-HUUCEWRRSA-N 311.381 3.015 10 10 DGCE O=C(NCc1cc(O)ccc1O)c1csc(C(F)(F)F)c1 1651225803 YUZNUKWJZUJAQW-UHFFFAOYSA-N 317.288 3.108 10 10 DGCE CCOc1ccc(N(CCn2ccccc2=O)CC2CC2)cc1 1655333045 GJQDRGWQVKYTQD-UHFFFAOYSA-N 312.413 3.164 10 10 DGCE Cc1cc2cc(C(=O)NCc3cc(O)ccc3O)oc2cc1C 1593873409 OIZCCBUKDRUKGC-UHFFFAOYSA-N 311.337 3.391 10 10 DGCE Cc1ccc(O)c(CNC(=O)NCCc2ccc3[nH]ccc3c2)c1 1680462116 YVPQUQOLJVVSQX-UHFFFAOYSA-N 323.396 3.224 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([C@H](N)c2ccccc2O)C1 1936970215 JVJXENIRFLBUFT-IOASZLSFSA-N 320.433 3.476 10 10 DGCE CC(C)NCc1ccc(N2CCN(C3CC3)CC2)c(Cl)c1 163989676 IRLNLOJVBLQBNQ-UHFFFAOYSA-N 307.869 3.122 10 10 DGCE CCOC(=O)N1CCN(/N=N/c2c(C)cccc2CC)CC1 1860485089 QWAGHQMTUCNYLS-ISLYRVAYSA-N 304.394 3.330 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H](N)c1ccc2ccccc2c1O 1951866466 WQIZGMPTGRETTJ-CQSZACIVSA-N 302.374 3.070 10 10 DGCE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)C1(N)c1ccccc1O 1976669993 GAALLQVIRLJVGG-STQMWFEESA-N 320.433 3.069 10 10 DGCE CN[C@H](c1ccc(N(C)C)cc1)[C@@H]1CCN1C(=O)OC(C)(C)C 1977946146 UAQDYAVONSLXLS-JKSUJKDBSA-N 319.449 3.023 10 10 DGCE C[C@H](N[C@H]1CN(C(=O)OC(C)(C)C)C1(C)C)c1ccccc1O 1989694322 KOWWPGKHITWQBL-WFASDCNBSA-N 320.433 3.441 10 10 DGCE CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1CN(c1ccc(N)cc1)C2 1992128597 YECSSTXFYQCMBY-ACJLOTCBSA-N 317.433 3.152 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1C[C@@H]([C@@H](F)[C@@H](N)c2ccccc2O)C1 1992605358 LOCCVPQTFAVTJM-BVIHXZOGSA-N 324.396 3.033 10 10 DGCE C[C@H]1C(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)[C@@H]1C 2033547020 HNLWLHYMFYOXBO-PHDIDXHHSA-N 310.202 3.095 10 10 DGCE CO[C@H]1C[C@@H](N(C)c2ccc([C@@H](C)N)c(Br)c2)C1 2038791919 NZQUQNUMZGFETB-JLLWLGSASA-N 313.239 3.082 10 10 DGCE C[C@H]1C[C@@H](CCNCc2cccc(Br)c2O)CO1 2041470267 DFHMYZXXONHUPV-WDEREUQCSA-N 314.223 3.059 10 10 DGCE CC[C@@H]1C[C@@H](C(=O)O)N(Cc2cc(Cl)cc(Cl)c2O)C1 2159278987 XFODHNUWIZATRD-PELKAZGASA-N 318.200 3.384 10 10 DGCE CCc1nc(CNCc2cc(Cl)cc(OC)c2O)cs1 381435965 VNUYSOCBKMJHMP-UHFFFAOYSA-N 312.822 3.363 10 10 DGCE C[C@@H]1C[C@H](N(C)Cc2cc(Br)ccc2O)[C@@H](C)O1 395069004 XRVLTYRNMKUVAT-BREBYQMCSA-N 314.223 3.152 10 10 DGCE [N-]=[N+]=NCCCCNS(=O)(=O)c1cc2ccccc2s1 2060439010 ABHWCZUKRAGBIP-UHFFFAOYSA-N 310.404 3.270 10 10 DGCE CNCc1cc(CC(C)C)nn1Cc1cccc(Cl)c1O 2070076814 ONJHXJMFWZXSCS-UHFFFAOYSA-N 307.825 3.208 10 10 DGCE COc1cc(CN(C)Cc2c(O)ccc(Cl)c2F)sn1 1308954836 LPVSFDQOLJMVBZ-UHFFFAOYSA-N 316.785 3.282 10 10 DGCE Cc1cccc(Cn2nc(C(C)C)c(CN)c2C(F)F)c1O 2079015594 XFSSHURUAJGVRD-UHFFFAOYSA-N 309.360 3.465 10 10 DGCE CNCc1ccc(N(C)[C@@H]2CC[C@H]3C[C@H]32)cc1Br 2046853000 GLSYNGDXEAYSCA-PSOPSSQASA-N 309.251 3.403 10 10 DGCE CN(CC1(Br)CC1)c1ccc2c(c1)CCC[C@H]2N 2076247984 NETYYCSSSUCMKW-CQSZACIVSA-N 309.251 3.386 10 10 DGCE CN[C@H](C)c1ccc(N2CC=C[C@H]2CF)c(Br)c1 2082869861 BEGIYPUCRJQCKC-PWSUYJOCSA-N 313.214 3.444 10 10 DGCE CCn1ncc(Br)c1CN[C@@H](C)c1ccccc1O 2094270495 BVEATWQVUXIAFR-JTQLQIEISA-N 324.222 3.222 10 10 DGCE CN(Cc1ccc(N)cc1)c1ccc(N)c(Br)c1 2221885578 MNYWCJAEBRECDK-UHFFFAOYSA-N 306.207 3.250 10 10 DGCE COc1cccc(O)c1CNc1c(C)ccnc1Br 2227168638 LVBIDWJGKIJERC-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE C[C@@H](N)c1ccc(N2CC[S@@](=O)C(C)(C)CC2)cc1Cl 321550953 ANNZSTIFJHURLH-BIBXISHDSA-N 314.882 3.097 10 10 DGCE CCP1(=O)CCC(NCc2cc(F)cc(F)c2O)CC1 2283684815 ZVAICKFSSYERJU-UHFFFAOYSA-N 303.289 3.305 10 10 DGCE CSc1ncc(CNC[C@@H]2CC[C@@H](N)[C@@H](C)C2(C)C)s1 2284708638 BVECFUXIPAZCMR-NTZNESFSSA-N 313.536 3.354 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)c2c(Cl)ccc(Cl)c2N)C1 2286895710 GANHABGXKBMALR-ZETCQYMHSA-N 314.176 3.348 10 10 DGCE Cc1cncc(C=CC(=O)N2CCN(C)c3cc(F)ccc32)c1 2302388947 GRWXGFSKHUBADF-UHFFFAOYSA-N 311.360 3.025 10 10 DGCE COc1ccc(NCc2cc(Br)ccc2O)c(C)n1 1171178277 VMEMEZMQUZKIOE-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE COc1cccc(-c2noc(C=Cc3ccc(O)c(O)c3)n2)c1 2308907982 IYBHBKDQYSDUEP-UHFFFAOYSA-N 310.309 3.327 10 10 DGCE Cc1ccc(CNc2cc(N)ns2)c(O)c1Br 2307478855 BTKGGRDFRXQPFT-UHFFFAOYSA-N 314.208 3.114 10 10 DGCE COc1cc(N=NN(C)CCc2ccncc2)cc(OC)c1 2330246284 FGVGYRCLNXDKNU-UHFFFAOYSA-N 300.362 3.272 10 10 DGCE Cc1ccc(CN(C)[C@@H]2CCCOC2)c(O)c1Br 2327579983 BGHZMRUVXQGUBS-GFCCVEGCSA-N 314.223 3.074 10 10 DGCE C[C@@H](O)c1ccc(N2Cc3cccnc3C2)cc1Br 2336973092 HVBJOOZFPLPEQN-SNVBAGLBSA-N 319.202 3.418 10 10 DGCE CC(C)N1CC(CNCc2cc(Cl)cc(Cl)c2O)C1 2341871456 MPSMHOQFSKRCBC-UHFFFAOYSA-N 303.233 3.129 10 10 DGCE c1ccc(N2CCC[C@H](NCc3ccc4c(c3)CCO4)C2)cc1 115622036 NZEHYERJUIBULI-SFHVURJKSA-N 308.425 3.380 10 10 DGCE O=C(O)/C=C\c1ccc(N2CCC=C(Br)C2)cc1 404400901 ZYRPEYARFHEDBA-YVMONPNESA-N 308.175 3.273 10 10 DGCE CCC(CC)N(CCOC)c1c(F)cc(CNC)cc1F 62713531 CFNQWATXSPPEFS-UHFFFAOYSA-N 300.393 3.326 10 10 DGCE COc1cccc(CNC(=O)/C=C(\C)c2cccc(F)c2)c1O 171869403 SSSIVNXBPMULLR-FMIVXFBMSA-N 315.344 3.260 10 10 DGCE COC(=O)/C=C/c1ccc(N2CCC[C@H](C)CC2)c([N+](=O)[O-])c1 301082568 IJAMHUYATGLLNG-CFNZNRNTSA-N 318.373 3.407 10 10 DGCE Cc1ccc(O)c([C@H](C)Nc2ccc(S(C)(=O)=O)cc2)c1 35628626 JIXZQQLVXMYQFA-LBPRGKRZSA-N 305.399 3.277 10 10 DGCE C[C@@H]1OCC[C@H]1N(C)[C@@H](C)c1cc(Br)ccc1O 211689663 JCZYXWJBNCSIIL-OUJBWJOFSA-N 314.223 3.325 10 10 DGCE COc1ccc(N2CC[C@@H](C(=O)O)[C@@H]2c2cccs2)cc1 40442889 FBLVCCNUUVPMJP-UKRRQHHQSA-N 303.383 3.409 10 10 DGCE C[C@H](NCCCN(C)C(=O)OC(C)(C)C)c1ccc(O)cc1O 227611536 VIBORARDDWXBNW-LBPRGKRZSA-N 324.421 3.005 10 10 DGCE CO[C@H]1CCCN(c2ccc([C@H](C)N)c(Br)c2)C1 234829787 AUSYUVRURLZDQX-JQWIXIFHSA-N 313.239 3.084 10 10 DGCE Cc1cc(NS(=O)(=O)C[C@@H](C)c2ccccc2)ccc1O 148633004 IBWXHGHDXLRWPT-CYBMUJFWSA-N 305.399 3.246 10 10 DGCE CCOc1ccc(O)c(CNC2(c3noc(C)n3)CCCC2)c1 237068246 BGKHBJUVMLRYCJ-UHFFFAOYSA-N 317.389 3.041 10 10 DGCE Cc1cnc(CNC(=S)Nc2cccc([N+](=O)[O-])c2)c(C)c1 242905984 GQLTYLBRSKSAGK-UHFFFAOYSA-N 316.386 3.093 10 10 DGCE CC[C@H](N[C@H]1CCO[C@@]2(CCSC2)C1)c1ccccc1O 248562562 NNRFVIFKOUESMJ-QRTARXTBSA-N 307.459 3.488 10 10 DGCE CN(C)c1ccc(CN[C@@H]2COc3ccc(F)cc3C2)cc1F 808452707 OMZFPPUHHLCHLK-HNNXBMFYSA-N 318.367 3.124 10 10 DGCE CC(=O)C(=O)COC(=O)C1(Cc2cccc(F)c2)CCCCC1 808551427 XSWBEGSJTSSSJX-UHFFFAOYSA-N 320.360 3.020 10 10 DGCE CC(C)OC[C@H](O)COc1ccc2c(c1)c1c(n2C)CCCC1 647164259 NOQOGAOINQXHFE-AWEZNQCLSA-N 317.429 3.222 10 10 DGCE CCC1(CC)CN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C1 814905118 ORBSUCGATXIWKR-CLFYSBASSA-N 318.373 3.407 10 10 DGCE [N-]=[N+]=NC[C@H]1CCN(Cc2cnsc2Br)C1 1982799425 MWIPUWWUHGQQHM-SSDOTTSWSA-N 302.201 3.038 10 10 DGCE Cc1cc(CC(=O)N[C@H]2CCSC2)c(C)n1-c1ccccc1 828974166 NQKVKUMCCQNTAZ-INIZCTEOSA-N 314.454 3.258 10 10 DGCE COc1ccc2c(c1)CCCCN2Cc1cn(C2CCC2)nn1 825943962 OCEQNNMZTCRGRG-UHFFFAOYSA-N 312.417 3.355 10 10 DGCE CN(C)c1ccc(/C=C\CNC[C@H](O)CCc2ccccc2)cc1 835047203 CXLKZOAJTHDQOR-DFOOEPSASA-N 324.468 3.349 10 10 DGCE CC[C@@H](C(=O)NCc1cc(Cl)ccc1O)c1c(C)noc1C 846472496 KUOHQSGBQNKPOO-CYBMUJFWSA-N 322.792 3.460 10 10 DGCE CC(=O)c1ccc2c(c1)CCN(C(=O)Nc1ccc(N)cc1)CC2 841298500 QJIWHKVIGSYUMD-UHFFFAOYSA-N 323.396 3.104 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCC[C@@H]2C[C@H]12 852564785 SFTSZFFAZYCPDZ-RYRKJORJSA-N 315.461 3.330 10 10 DGCE Cc1cc(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)c(C)n1-c1ccccc1 855016360 LBLLOUQKBVEMMD-QRVBRYPASA-N 324.424 3.073 10 10 DGCE C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1C[C@H]1C1CC1 858194733 IJALVFJIEHZRPS-GKCIPKSASA-N 314.473 3.172 10 10 DGCE CCCN(CCC)c1ccc(CNCC(F)(F)CO)cc1 767195067 VMRANBQZZFUARF-UHFFFAOYSA-N 300.393 3.030 10 10 DGCE CCOc1ccc(CN2CC[C@@H](c3ccc(O)cc3)C2)c(O)c1 862540492 GRPTYRXHMFWXPW-OAHLLOKOSA-N 313.397 3.486 10 10 DGCE C[C@@H]1C[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)[C@@H](C)O1 864786458 SGHQDCCBEGWHMA-LBTNJELSSA-N 316.445 3.057 10 10 DGCE C[C@@H]1C[C@H]([C@@H](N)c2ccccc2O)N(C(=O)OC(C)(C)C)C1 1958387609 CKCZCHSJUSXFFZ-KYOSRNDESA-N 306.406 3.038 10 10 DGCE CCN(CC)c1ccc(CNC(=O)C[C@H]2CC(C)(C)CO2)cc1 1125166266 GTIBDBJOVACHDU-KRWDZBQOSA-N 318.461 3.354 10 10 DGCE CCN(Cc1c[nH]c2ccccc12)C(=O)c1cccc(O)c1O 785434109 JKVLQFPVJSGCGW-UHFFFAOYSA-N 310.353 3.241 10 10 DGCE CC[C@H](N[C@@H](C)c1cc(C(=O)OC)ccc1O)C(F)(F)F 786972325 CCVPORRNROFWGX-UFBFGSQYSA-N 305.296 3.170 10 10 DGCE C[C@H]1C[C@@H](C)CN(Cc2ccc(N3CCOCC3)cc2)[C@@H]1C 789587534 YOYKHIJIIGMRQA-IXDOHACOSA-N 302.462 3.390 10 10 DGCE Cc1ccc(O)c(CNCCCCNC(=O)OC(C)(C)C)c1 397923456 MSCQUWLFJYYLMD-UHFFFAOYSA-N 308.422 3.095 10 10 DGCE CN[C@H](c1ccc(N(C)C)cc1)c1snc(OC)c1Cl 708310113 FPJQMQGOSFAVEY-GFCCVEGCSA-N 311.838 3.180 10 10 DGCE CC[C@@H](NCCc1c(C)nn(C)c1C)c1ccc(C)cc1O 794789963 BCMAQTRKCXMAFS-QGZVFWFLSA-N 301.434 3.334 10 10 DGCE COc1ccc2[nH]c(C(=O)N[C@H](C)c3ccccc3O)cc2c1 1151885858 KQVUXDHZIDKQMD-LLVKDONJSA-N 310.353 3.373 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CCOC[C@@]2(C)C2CC2)c1O 1308143689 VNZMLQWHVLCKFM-KRWDZBQOSA-N 323.820 3.249 10 10 DGCE CC(=O)c1cc(Cl)cc(CN(C)c2ccccc2CO)c1O 1473586041 ADZHOSNWNVJDJX-UHFFFAOYSA-N 319.788 3.377 10 10 DGCE COc1ccc(CNC2(CNC(=O)CC(C)(C)C)CC2)cc1C 1499161275 MQTXGHYMIZLWIH-UHFFFAOYSA-N 318.461 3.178 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1nccn1C(C)C 1635663832 YSIDLNWEQOWTJQ-UHFFFAOYSA-N 301.390 3.222 10 10 DGCE CCn1cc(Br)cc1C(=O)NCCCCN=[N+]=[N-] 231732779 YFFVAIAWGZWIQA-UHFFFAOYSA-N 314.187 3.091 10 10 DGCE CCNCc1ccc(N2CCCOCC2)c(C(F)(F)F)c1 163712548 KBJJWVPMOFWPNT-UHFFFAOYSA-N 302.340 3.042 10 10 DGCE COC(=O)C[C@H](NCc1cccc(C)c1O)c1cccs1 164988652 DFBJRPVPPBWPTN-ZDUSSCGKSA-N 305.399 3.156 10 10 DGCE C[C@H]1OCC[C@H]1CCNCc1cccc(Br)c1O 1972146599 QFQOYJNIMHVNDO-GHMZBOCLSA-N 314.223 3.059 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](Nc3ccccc3N)[C@H]2C1 1977678282 MMRANINTDWRNSU-YDHLFZDLSA-N 317.433 3.326 10 10 DGCE CN(C)c1ccc([C@@H](N)CCCCNC(=O)OC(C)(C)C)cc1 1977947023 ZNKNIDZKNRUQNP-INIZCTEOSA-N 321.465 3.447 10 10 DGCE CN(CC[C@@](C)(N)c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C 1980096386 DUCBCSPMGJXRNH-GOSISDBHSA-N 321.465 3.184 10 10 DGCE CC(C)(C)OC(=O)N[C@@]12CC[C@@H](CN(c3ccc(N)cc3)C1)C2 1982111885 JAWYJQKYKXMOOC-FZKQIMNGSA-N 317.433 3.152 10 10 DGCE CN(CCCN=[N+]=[N-])[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 1982246962 BHZWEYPEWBXHKM-IHRRRGAJSA-N 323.441 3.407 10 10 DGCE CN[C@@H]1CCc2cc(N3CC(OCc4ccccc4)C3)ccc21 1986603914 FKNPPXVULRODOO-HXUWFJFHSA-N 308.425 3.299 10 10 DGCE Cc1ccc(CNCc2nccn2Cc2ccccc2)c(O)c1 1994457826 INJHQYQRANYXHG-UHFFFAOYSA-N 307.397 3.235 10 10 DGCE C[C@@H](N(C)c1ccc(CO)cc1Br)C(C)(F)F 2009086018 RRJYRSIEIHVQCX-MRVPVSSYSA-N 308.166 3.421 10 10 DGCE CCNCc1ccc(N2CC[C@H]2CF)cc1Br 2011851406 VQGXJSFQNIYSSR-LBPRGKRZSA-N 301.203 3.107 10 10 DGCE Nc1ccc(CCN2C[C@@H]3[C@H](CCN3Cc3ccccc3)C2)cc1 2015060059 HHZFYLYDRQRBKV-TZIWHRDSSA-N 321.468 3.018 10 10 DGCE CN(Cc1cc(Br)cc(F)c1O)CP(C)(C)=O 2021433373 XIANQYLAOZVALB-UHFFFAOYSA-N 324.130 3.306 10 10 DGCE CNCc1ccc(N(C)CC2(F)CC2)cc1Br 2025735438 GRUJNRPVTZVPJL-UHFFFAOYSA-N 301.203 3.107 10 10 DGCE NCc1ccc(N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cc1 310225278 GRNNESHKOPBCRB-VQTJNVASSA-N 321.468 3.104 10 10 DGCE CO[C@@H]1CN(Cc2c(O)cccc2Br)CC[C@@H]1C 707138784 HFJUOGGRWKFGKI-IINYFYTJSA-N 314.223 3.012 10 10 DGCE Brc1cc(CNC2CC2)ccc1N1C[C@H]2C[C@H]2C1 379547744 HMTXWWVJFDCBFE-TXEJJXNPSA-N 307.235 3.157 10 10 DGCE C[C@@H]1CSCCN(c2ccc(CN)cc2C(F)(F)F)C1 379560257 QWNDYESHKYCOAU-JTQLQIEISA-N 304.381 3.353 10 10 DGCE C[C@@H]1C[C@@H](N(C)Cc2cccc(Br)c2O)CCO1 721471555 DEBYWMPQUWQYDI-PWSUYJOCSA-N 314.223 3.154 10 10 DGCE CC(C)(C)[C@@H]1CN(c2cc(Cl)c(CN)cc2F)CCO1 2177385147 JGFIUHXOVUHYAR-AWEZNQCLSA-N 300.805 3.189 10 10 DGCE Cc1nn(Cc2cccc(F)c2O)c(C(F)(F)F)c1[N+](=O)[O-] 2079223532 JORIZVBYVAOZHQ-UHFFFAOYSA-N 319.214 3.012 10 10 DGCE CCc1nn(Cc2ccc(Br)cc2O)c(N)c1CC 2079637452 RPZRNLANSSCXKX-UHFFFAOYSA-N 324.222 3.107 10 10 DGCE Cc1nn(Cc2c(O)cccc2Br)c(N)c1C(C)C 2080077720 ISDPVJGOQDIOSY-UHFFFAOYSA-N 324.222 3.414 10 10 DGCE C[C@@H](O)c1cc(F)c(N(C)C[C@H](F)C(F)(F)F)c(F)c1 2194506959 AYADULPCTLWKIW-LDWIPMOCSA-N 301.230 3.355 10 10 DGCE CN[C@H](c1ccc2c(c1)CCCN2C)C(F)(F)Br 2045736367 UZRLHETYVVJJJR-GFCCVEGCSA-N 319.193 3.317 10 10 DGCE Cc1oc(Br)cc1C(=O)NCC1(CN=[N+]=[N-])CC1 2054028564 FKYMWCXBUAGEOJ-UHFFFAOYSA-N 313.155 3.171 10 10 DGCE CC[C@H](c1cc(Br)ccc1O)N(C)CC1(N)CC1 2057941738 UQIPJUIADMIGHX-GFCCVEGCSA-N 313.239 3.029 10 10 DGCE Cc1cc(N2CCN(Cc3ccccc3)CC2)ccc1[C@@H](C)N 2243951748 BVZJNNUVDYCNLA-QGZVFWFLSA-N 309.457 3.337 10 10 DGCE CN(C(=O)c1cnc(C(F)(F)F)s1)c1ccc(N)cc1 2289301428 WSZUZQBUYRBDTM-UHFFFAOYSA-N 301.293 3.021 10 10 DGCE COc1ccc(N2N=C(C)C(=C(C)NC(C)(C)C)C2=O)cc1 2313682091 VAPLADCTUHCAOY-UHFFFAOYSA-N 301.390 3.080 10 10 DGCE O=C1CCCCN[C@@H]1c1cc(Cl)cc(Br)c1O 1952321046 KCHXTAPJBMAOJD-LLVKDONJSA-N 318.598 3.192 10 10 DGCE CC(C)[C@@H](C)CNC(=O)NCCCSc1nccs1 177834196 IXFBWIPRKLFSRE-NSHDSACASA-N 301.481 3.217 10 10 DGCE CC(C)(C)OC(=O)NCC1(NCc2ccccc2O)CCCC1 111389077 ODSDEOGMXSFVTE-UHFFFAOYSA-N 320.433 3.319 10 10 DGCE Nc1ccc(NC(=O)Nc2ncc(Br)s2)cc1 37436782 NEEJCPHUSZVAHH-UHFFFAOYSA-N 313.180 3.132 10 10 DGCE Cc1cc(NCc2cccc(O)c2O)cnc1Br 235854379 PLNKCDVAHYLQSG-UHFFFAOYSA-N 309.163 3.176 10 10 DGCE Cc1ccc(O)c([C@H](C)N[C@H](C)c2nnc3n2CCCCC3)c1 319814429 JDKHZDIMCLQASB-UONOGXRCSA-N 314.433 3.430 10 10 DGCE COc1ccc(CNc2cncc(Br)c2)c(O)c1 120976235 FSGPTZIMVRCOAN-UHFFFAOYSA-N 309.163 3.170 10 10 DGCE CC(C)N[C@](CCC1CC1)(CSc1nccs1)C(=O)O 2366639209 QQUPUACMXCSLAZ-CQSZACIVSA-N 314.476 3.247 10 10 DGCE COc1cc(OC)c2c(c1)O[C@H](c1ccc(O)c(O)c1)CS2 40556675 XYPFLFRBRGMQGR-HNNXBMFYSA-N 320.366 3.341 10 10 DGCE CC[C@H]1CN(c2cc(Cl)c(OC)cc2OC)[C@H](CC)CN1 86220358 WZEKANAAWBBZST-NWDGAFQWSA-N 312.841 3.324 10 10 DGCE CCCN(C(=O)c1snnc1C(C)C)c1ccc(N)cc1 87441470 YSIMZADDAWQOGE-UHFFFAOYSA-N 304.419 3.301 10 10 DGCE CCN[C@@H]1CCCN(c2ccc(OC)c(Br)c2)C1 88330761 DDEOWSBHMFVIHC-LLVKDONJSA-N 313.239 3.036 10 10 DGCE COC(=O)[C@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1 92643680 KHIWMKZHRHLWFY-KRWDZBQOSA-N 316.445 3.062 10 10 DGCE C[C@H]1C[C@@H](C)CN1c1cc(Br)c(CN)cc1F 383940736 HAOPASCPFPWULK-BDAKNGLRSA-N 301.203 3.282 10 10 DGCE [N-]=[N+]=NCCCN[C@@H](C(=O)O)c1cc(Cl)ccc1Cl 236453966 RZZRYTYEBGHFBM-SNVBAGLBSA-N 303.149 3.409 10 10 DGCE Cn1cnnc1[C@@H]1CCCN1Cc1c(O)ccc2ccccc12 93809777 DJHODCDUAOPFCX-INIZCTEOSA-N 308.385 3.011 10 10 DGCE CN(C)c1ccc(CN2CC(O)(c3ccc(Cl)cc3)C2)cc1 811509473 RUNLTFAILSUKKI-UHFFFAOYSA-N 316.832 3.109 10 10 DGCE Cc1cccc2[nH]cc(CCNC(=O)NCc3ccccc3O)c12 728747716 MZWGBFWOHQKYKH-UHFFFAOYSA-N 323.396 3.224 10 10 DGCE C[C@@H](NC/C=C/c1ccc(N(C)C)cc1)c1nnc2ccccn12 835035785 KTTHRZRBUGRRFT-LQYUOIDQSA-N 321.428 3.159 10 10 DGCE Cc1cc(O)c(CN2CC[C@H]3[C@H](CCCN3C)C2)c(Cl)c1 840920403 GPUNFPSDPNUNJO-CJNGLKHVSA-N 308.853 3.270 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2c(n1)CCCC2 750706080 VCAZUQFDJDGKHW-UHFFFAOYSA-N 323.440 3.299 10 10 DGCE Cc1cccc2c1CCC[C@@H]2NC(=O)NCCc1ccc(N)cc1 851664671 IJGYPEZHLOYBBU-IBGZPJMESA-N 323.440 3.497 10 10 DGCE C[C@H](Nc1ccc(N2CCCC2)nn1)c1ccc(N(C)C)cc1 865685316 YHWXFYPDWKHSKN-AWEZNQCLSA-N 311.433 3.316 10 10 DGCE CO[C@H](CCN[C@H](C)c1cc(F)cc(F)c1O)C(F)(F)F 786955400 ZJXSQHWRXHFKSZ-RDDDGLTNSA-N 313.266 3.288 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)COC(C)(C)C 1124623352 SFBYHMXLYDTSKQ-UHFFFAOYSA-N 304.434 3.060 10 10 DGCE C[C@H](NC[C@](C)(O)C1CCCCC1)c1cc([N+](=O)[O-])ccc1O 790703839 UQIUGPIBIKKEMV-SJCJKPOMSA-N 322.405 3.282 10 10 DGCE OCc1ccccc1NCc1c(O)cccc1Br 706875372 WUYMFSIMNQUKED-UHFFFAOYSA-N 308.175 3.259 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2cnc(-c3ccco3)s2)c1 1167293464 FETAJGDQYZCAFH-UHFFFAOYSA-N 314.366 3.347 10 10 DGCE Cc1cc(C(=O)N2Cc3cccc(O)c3C2)nn1-c1ccccc1 1175029868 LVECTDWSXXIDEY-UHFFFAOYSA-N 319.364 3.042 10 10 DGCE Cc1cc(CC(=O)NC2CCC(=O)CC2)c(C)n1-c1ccccc1 1262189551 IDPRPIHSKGAOOS-UHFFFAOYSA-N 324.424 3.265 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)c2cc(Cl)nc(Cl)c2)C1 1912182121 XSRKORPFDKVSGE-ZETCQYMHSA-N 300.149 3.161 10 10 DGCE C[C@H](N)c1ccc(N(Cc2ccccc2)C(C)(C)CO)cc1O 1915757932 JIVAZEXDEXFKPN-AWEZNQCLSA-N 314.429 3.189 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)/C=C(\C)c2ccco2)c1 1465991386 CVNZEEQXJZUGBQ-ZKQHCESOSA-N 301.342 3.275 10 10 DGCE CCOc1ccc(N(Cc2cnn(CC)n2)CC2CC2)cc1 1473718596 SLQPQJXMXNRWAA-UHFFFAOYSA-N 300.406 3.113 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccccc2O)C12CC2 1925692049 JPFSBVKWYFTFJB-OAHLLOKOSA-N 318.417 3.024 10 10 DGCE C[C@H]1[C@H](c2ccccc2)CCN1C(=O)Cc1ccc(O)c(O)c1 1621496401 GPCGAFBHTHZVQE-XJKSGUPXSA-N 311.381 3.045 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)Nc1cnc2c(F)cccc2c1 1628828664 FTBKPAYVHDPIKG-ALCCZGGFSA-N 324.311 3.437 10 10 DGCE CC(C)c1scnc1NC(=O)/C=C\c1ccc(O)c(O)c1 1636884627 LEPFXDJDDSIWDC-XQRVVYSFSA-N 304.371 3.330 10 10 DGCE O=C(NCc1ccc(O)cc1O)c1cc2ccc(F)cc2s1 1630301941 OJPYWAJIMWYAKK-UHFFFAOYSA-N 317.341 3.382 10 10 DGCE Cc1ccc(C(=O)N[C@@H]2c3ccccc3CC[C@@H]2F)c(O)c1O 1643473427 QDCNIDPBMDLXLH-LSDHHAIUSA-N 315.344 3.162 10 10 DGCE CC1(C)C(c2cc(NC(=O)c3cccc(O)c3O)n[nH]2)C1(C)C 1643743868 ZLFDNUOHMWWUIC-UHFFFAOYSA-N 315.373 3.223 10 10 DGCE CCC(C)(C)CC(=O)N[C@@H](C)CNCc1ccc(OC)c(C)c1 1669569232 XLMNGMVGJAZPLT-HNNXBMFYSA-N 320.477 3.424 10 10 DGCE CC[C@H](C)C(=O)NC[C@@H](NCc1ccc(OC)c(C)c1)C1CC1 1690143641 YFLLBGCUCVVZOZ-SUMWQHHRSA-N 318.461 3.034 10 10 DGCE CC(C)NCc1ccc(N2CCC[C@@H]2CN(C)C)c(Cl)c1 164054179 KCKHUCRYPXYYFC-OAHLLOKOSA-N 309.885 3.368 10 10 DGCE Cc1ccc(CCCC(=O)NCCc2ccc(O)c(O)c2)cc1 156700280 HCKZATDSZOSRDV-UHFFFAOYSA-N 313.397 3.088 10 10 DGCE O=C(c1ccco1)N1CCN(/N=N/c2ccccc2Cl)CC1 1860482771 ZVSXMIDZJHMBJW-ISLYRVAYSA-N 318.764 3.390 10 10 DGCE CCN1N=C(C(F)(F)F)/C(=C/c2ccc(F)cc2F)C1=O 1865673408 CCMCMJBTFXYIGC-UITAMQMPSA-N 304.218 3.129 10 10 DGCE COc1ccc(C)cc1[C@H]1CN(Cc2ccc(N)cc2)C(=O)O1 585893644 VOOXQEXLHGSDCS-QGZVFWFLSA-N 312.369 3.279 10 10 DGCE CC1(C)[C@@H](O)C[C@@H]1CNCc1cc(Cl)cc(Cl)c1O 1966075200 VCFAJLZIDQKPDQ-SKDRFNHKSA-N 304.217 3.196 10 10 DGCE CCCN[C@](CCCSc1nccs1)(C(=O)O)C(C)C 2144127418 WXBORRWYHKFNAM-AWEZNQCLSA-N 316.492 3.494 10 10 DGCE CN(C)c1ccc([C@H](N)C[C@@H]2CCN2C(=O)OC(C)(C)C)cc1 1979163781 XFCSYKCFSZQVPT-JKSUJKDBSA-N 319.449 3.152 10 10 DGCE CC(C)(C)OC(=O)N1CCN(CCCN=[N+]=[N-])[C@@](C)(C2CC2)C1 1982249598 JKVQIEADRBHOSY-MRXNPFEDSA-N 323.441 3.408 10 10 DGCE CCCOc1cc(N2CCC[C@@H](C3(C)OCCO3)C2)ccc1N 2145842817 AOKNDJOVNJGGQO-CQSZACIVSA-N 320.433 3.037 10 10 DGCE Oc1ccc(Br)cc1CN[C@@H]1C[C@H]2C[C@H]1C[C@@H]2F 2039899970 OEOIORCNWSNDNA-FIDNZITISA-N 314.198 3.381 10 10 DGCE NCc1cc(F)c(N2CC[C@@H](C3CC3)C2)cc1Br 400155269 GVWHARSCFSQCRJ-SNVBAGLBSA-N 313.214 3.283 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CC[C@@H](C(F)F)C2)c1O 707170243 IEOWJHLWPBRZFV-SECBINFHSA-N 303.736 3.335 10 10 DGCE COC[C@H](C)CN(C)[C@H](C)c1cc(Br)ccc1O 381325509 HAXSJQCWSHNNGV-GHMZBOCLSA-N 316.239 3.430 10 10 DGCE CCNCc1ccc(N2CC[C@@](F)(COC)C2)c(Cl)c1 2179804690 GQVXIFWUPAJPLW-HNNXBMFYSA-N 300.805 3.014 10 10 DGCE COC(=O)c1cc(CC(C)C)nn1[C@H](C)c1cccc(C)c1O 2070004508 YHQUJUNDSYPDPI-CYBMUJFWSA-N 316.401 3.492 10 10 DGCE CCOC(=O)c1cnn(Cc2c(C)cccc2O)c1C(F)F 2079000023 ZIISKHBEJHNHJT-UHFFFAOYSA-N 310.300 3.060 10 10 DGCE CC1(c2c(C3CC3)nn(Cc3c(O)cccc3F)c2N)CC1 2079698660 TYQRAHMWIFQMLP-UHFFFAOYSA-N 301.365 3.287 10 10 DGCE COCCN(c1ccc([C@@H](C)O)c(Cl)c1)[C@@H]1CCSC1 2170156849 JTPGRGIAURVMBO-DGCLKSJQSA-N 315.866 3.352 10 10 DGCE COCC(C)(C)N(C)Cc1ccc(C)c(Br)c1O 2327566750 FKYZDMODFIOYSG-UHFFFAOYSA-N 316.239 3.320 10 10 DGCE CN[C@H](C)c1ccc(N(C)[C@@H]2COCC2(F)F)cc1Cl 2197010937 HBWJGWPKBXQSEJ-NOZJJQNGSA-N 304.768 3.091 10 10 DGCE O=C(O)C=Cc1ccc(N2CCC(=CBr)C2)cc1 2052260169 OWSPDGGDJJLVTI-UHFFFAOYSA-N 308.175 3.273 10 10 DGCE CC[C@@](C)(CN(C)Cc1ccc(Br)cc1O)OC 2066248356 VFPNZLDXBJXZPH-AWEZNQCLSA-N 316.239 3.402 10 10 DGCE CO[C@@H]1CC[C@@H](N(C)Cc2cccc(Br)c2O)C1 2067116122 YIXHQIKHCJMDJJ-VXGBXAGGSA-N 314.223 3.154 10 10 DGCE CSc1ncc(CNC[C@H](O)c2ccccc2Cl)s1 2208444413 SBQCRWODZCJFHJ-LBPRGKRZSA-N 314.863 3.342 10 10 DGCE CSc1ncc(CNCCc2ccc([N+](=O)[O-])cc2)s1 2208467018 YGRGZJPHRFXVRV-UHFFFAOYSA-N 309.416 3.106 10 10 DGCE C[C@H](Nc1cn(C)nc1Br)c1ccc(N(C)C)cc1 2230764843 UUNJGTMIPKDKQS-JTQLQIEISA-N 323.238 3.422 10 10 DGCE OC[C@@]1(NC2CC2)CCCC[C@@H]1CCSc1nccs1 2288723335 OLRKFJDLKIYLFT-DOMZBBRYSA-N 312.504 3.299 10 10 DGCE Oc1cc(Br)ccc1CN=c1[nH][nH]c2ccccc12 2278864621 IBJHACMMLWGNFE-UHFFFAOYSA-N 318.174 3.065 10 10 DGCE Cc1cc(O)c([C@H](C)N2CC[S@@](=O)C(C)(C)C2)cc1Cl 2286455797 KVGQFNGWVSACSF-PRWKNARSSA-N 315.866 3.258 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)N1CC[C@H](Cc2ccccc2)C1 2307987923 UIXYAKOEGXBMDE-QGZVFWFLSA-N 323.392 3.202 10 10 DGCE Cc1cc(N(C)[C@H]2CCN(Cc3ccccc3)C2)ccc1CN 309813653 XHBXQAGQGIXLCG-FQEVSTJZSA-N 309.457 3.164 10 10 DGCE Cc1csc([C@@H](C)NC(=O)N(C)Cc2ccccc2O)n1 69829096 GYMLDAQUHBYFPF-LLVKDONJSA-N 305.403 3.060 10 10 DGCE CCCN(CCO)c1c(F)cc(CNC(C)(C)C)cc1F 62736928 ORCSJBOUIDUVRB-UHFFFAOYSA-N 300.393 3.062 10 10 DGCE CC(C)OCCCCN[C@@H](C)c1ccc(N2CCOCC2)cc1 180464718 YTMNIHPCWKPBNN-KRWDZBQOSA-N 320.477 3.379 10 10 DGCE CCSC[C@H](C)NCc1cccc(Br)c1O 127515427 NNPRWKSDEORUFK-VIFPVBQESA-N 304.253 3.386 10 10 DGCE Cc1cc(N(CCO)Cc2ccccc2)ccc1CNC1CC1 302932035 IPTWYFGGADTXBB-UHFFFAOYSA-N 310.441 3.246 10 10 DGCE CCNCc1cc(F)c(N(CCO)C(CC)CC)c(F)c1 62713339 FYOXHTWNKDEOLA-UHFFFAOYSA-N 300.393 3.062 10 10 DGCE Cc1c(C(N)=O)cc(-c2ccc(N3CCCC3)cc2)n1C1CC1 33758633 LVKMFYHLTIXZSP-UHFFFAOYSA-N 309.413 3.498 10 10 DGCE COc1cc2c(cc1OC)N(CCCCN)C[C@@](C)(C(C)C)N2 75280760 ORTKJDIOFRTGJE-SFHVURJKSA-N 321.465 3.089 10 10 DGCE COCCCN1C(=O)/C(=C\c2ccccc2F)SC1=S 33411578 OMFGTXMEHVQZOS-FMIVXFBMSA-N 311.403 3.063 10 10 DGCE CC1(C)C[C@H]2C(=O)N(c3c(Cl)cc(N)cc3Cl)C(=O)[C@H]21 2365786384 SRVQSSJTJIUWGI-XCBNKYQSSA-N 313.184 3.111 10 10 DGCE Oc1cccc(-c2nc(Cc3cccc(Cl)c3)no2)c1O 126852455 RQQXGCUUSVALNZ-UHFFFAOYSA-N 302.717 3.392 10 10 DGCE Cc1ccc([C@@H](C)N[C@H](C)c2nnc3n2CCCC3)c(O)c1 185586012 QNYXEPHTUWMHQO-CHWSQXEVSA-N 300.406 3.040 10 10 DGCE CO[C@@H](Cc1ccc(N)cc1)C(C)(C)NC(=O)OC(C)(C)C 1952756630 GNHBMRSKKYSACT-AWEZNQCLSA-N 308.422 3.130 10 10 DGCE CCN(CC)CCN(C)Cc1cc(Cl)cc(Cl)c1O 1203572078 VQZXCFWKBXBNBD-UHFFFAOYSA-N 305.249 3.473 10 10 DGCE COc1ccccc1SCCC(=O)Nc1ccc(N)cc1 41030518 ZGPNXXULKOPDLM-UHFFFAOYSA-N 302.399 3.398 10 10 DGCE CC[S@](=O)[C@@H]1CCC[C@@H](N[C@@H](C)c2cc(C)ccc2O)C1 248526219 UWXNLBUGRIUJOJ-ZLOLFTAESA-N 309.475 3.431 10 10 DGCE Cc1nc(C2CC2)oc1C(=O)N(C)Cc1ccc(N(C)C)cc1 273581138 QIURFZRQFLLVTA-UHFFFAOYSA-N 313.401 3.199 10 10 DGCE Cc1cnn([C@H]2CCN(Cc3cc(Cl)cc(C)c3O)C2)c1 291007192 WLUXBYHCTQHLPD-HNNXBMFYSA-N 305.809 3.306 10 10 DGCE N[C@@H](c1ccc(OCc2ccccc2)cc1O)[C@H](O)C1CCC1 396748833 OCJJGDODCLYNPU-RBUKOAKNSA-N 313.397 3.132 10 10 DGCE CCc1cccc(CN2C[C@@H](C)O[C@H](CC(F)(F)F)C2)c1O 827785979 FJNSVYYDUILESI-BXUZGUMPSA-N 317.351 3.496 10 10 DGCE CC[C@]1(CO)CCCN(C/C=C/c2ccc(N(C)C)cc2)C1 835045574 IXHWKPSZITXDHY-XZXOBPBMSA-N 302.462 3.250 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN(C1CC1)[C@@H]1CCNC1 843055682 NERPHKVBJCXVPW-GFCCVEGCSA-N 301.217 3.025 10 10 DGCE COc1ccc2c(c1)CCCN2C(=O)/C(C)=C/c1cccnc1 846792064 HXYDTQYSMGRBKN-SDNWHVSQSA-N 308.381 3.473 10 10 DGCE O=C(O)/C=C\c1ccc(N2CC[C@@H](F)C2)cc1Br 689862978 IHPBWRSESQKKAJ-WUWIAWFRSA-N 314.154 3.095 10 10 DGCE CC(C)N(CCc1nccs1)C(=O)Nc1ccc(N)cc1 841297443 FGEQJCITEQUTCN-UHFFFAOYSA-N 304.419 3.210 10 10 DGCE COC[C@@H](CN(C)c1cc(OC)c(OC)c(OC)c1)C(C)C 929706816 HLHRXPKWIXCPCS-CYBMUJFWSA-N 311.422 3.067 10 10 DGCE O=C(C[C@@]12CCCC[C@H]1C2(F)F)NCc1c(O)cccc1F 928710102 GWHPHDAMGWHXEY-HIFRSBDPSA-N 313.319 3.363 10 10 DGCE CN1CCN(c2ccc(CNC[C@H]3CCCC34CC4)cc2)CC1 858332925 RLRYJJSFSKODNU-GOSISDBHSA-N 313.489 3.108 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@@H](C)Cc3ccoc3)C2)cc1 850486478 HRLIMUHUDFUBTM-GOEBONIOSA-N 300.402 3.088 10 10 DGCE CCOc1cccc(CN[C@H]2C[C@H](Oc3ccccc3)C2)c1O 850374013 GOSGQYMFEIYDDA-JCNLHEQBSA-N 313.397 3.491 10 10 DGCE C[C@H](NC(=O)NCC[C@H]1CC1(F)F)c1ccc(N(C)C)cc1 856847971 AANVTZLNCYWQAO-AAEUAGOBSA-N 311.376 3.158 10 10 DGCE CO[C@@H]1CCC[C@H]([C@H](CO)N[C@@H](C)c2ccc(C)c(C)c2O)C1 850502880 SMHMVDLRERVXST-CUSZFKRNSA-N 321.461 3.226 10 10 DGCE Cc1cc(CC(=O)N2CCOCC23CC3)c(C)n1-c1ccccc1 854384551 XOPIVFZZCNZRBA-UHFFFAOYSA-N 324.424 3.028 10 10 DGCE COc1ccc(O)c([C@@H](C)NC[C@@H]2C[C@H]2C2CCOCC2)c1 866539082 FDOBNTZTDNWCQD-IFIJOSMWSA-N 305.418 3.114 10 10 DGCE CO[C@@](C)(C(=O)N(C)Cc1ccc(N2CCCC2)cc1)C1CC1 1124622013 ASVGVMBPNYCTQS-LJQANCHMSA-N 316.445 3.060 10 10 DGCE C[C@H]1CN(c2ccc(N)cc2)[C@H](C)CN1C(=O)OC(C)(C)C 1959572372 MHOYZHJILBQLFT-OLZOCXBDSA-N 305.422 3.103 10 10 DGCE C[C@]12CN(Cc3ccccc3)C[C@@H]1CN(c1ccc(N)cc1)C2 702060327 XOEKPDZQFXYZKE-YLJYHZDGSA-N 307.441 3.227 10 10 DGCE COc1cc(O)c(CN2CC[C@@H](C(F)(F)F)[C@@H]2C)cc1OC 793232572 YUPALNDFGJAHJW-GXSJLCMTSA-N 319.323 3.182 10 10 DGCE CC(=O)c1c(F)cncc1NCc1ccc(N(C)C)cc1C 892563936 IUNUEOFUHTXNFT-UHFFFAOYSA-N 301.365 3.410 10 10 DGCE CO[C@H]1CCC[C@@H](NCc2cc(Br)ccc2O)C1 746753663 GNMLPFGBCRXGOH-OLZOCXBDSA-N 314.223 3.202 10 10 DGCE COc1ccc(N(CCC(C)C)Cc2nc(N(C)C)no2)cc1 799169862 PWLDJAGRQWLOKK-UHFFFAOYSA-N 318.421 3.197 10 10 DGCE Cc1ccc(O)c(CNC(=O)[C@@H](C)Oc2ccccc2Cl)c1 1301046540 FRCGYWJGWSWKFU-GFCCVEGCSA-N 319.788 3.438 10 10 DGCE COc1ccc(C(=O)NCc2cccc(Cl)c2O)c(F)c1 1305069818 QBAXBQIWEDXCNY-UHFFFAOYSA-N 309.724 3.123 10 10 DGCE O=[N+]([O-])c1cccc2c(NCc3c(O)cccc3O)nccc12 1164212414 PLUGSHWQMYUNFS-UHFFFAOYSA-N 311.297 3.166 10 10 DGCE C/C=C\C[C@H](NCc1ccc(N2CCCC2)cc1)C(=O)OCC 1321148874 ODSVVDOWVSGNEF-AJNOYIKESA-N 316.445 3.274 10 10 DGCE CO[C@H]1CC[C@@H](NCc2cc(C)cc(Br)c2O)C1 1343464728 QFOALMBNSKIEIM-NEPJUHHUSA-N 314.223 3.120 10 10 DGCE [N-]=[N+]=NCC1CCN(S(=O)(=O)c2ccccc2Cl)CC1 1912202583 JMOQKEQUONQFCE-UHFFFAOYSA-N 314.798 3.051 10 10 DGCE C[C@@H]1C[C@@H](C)[C@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)O1 1353912291 WGKHCEKYUWOIOI-IIDMSEBBSA-N 316.445 3.059 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N(C1CC1)[C@H]1CCc2ccccc21 1292190358 VMUKKBQTYQYFPA-KRWDZBQOSA-N 323.392 3.319 10 10 DGCE CC(=O)c1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc1 1539302392 POPXXIGMLXWVGX-UHFFFAOYSA-N 310.313 3.304 10 10 DGCE CN1CCc2cc([C@@H](CCCO)NC(=O)OC(C)(C)C)ccc21 1927309064 BWOJQZBYGRVPOO-OAHLLOKOSA-N 320.433 3.017 10 10 DGCE C[C@H](CC(=O)NCc1ccc(O)cc1O)c1ccccc1F 1639444265 FAQXABATDBXPNA-LLVKDONJSA-N 303.333 3.047 10 10 DGCE COc1ccc(N(C)CCN(C)C[C@@H]2C[C@H]3CCC[C@@H]3O2)cc1 1646717628 BVAPLALEKQDNOT-MNEFBYGVSA-N 318.461 3.021 10 10 DGCE O=C(NCc1c(O)cccc1F)c1ccc2scnc2c1 1646033773 FEDYWXZCJKMZQP-UHFFFAOYSA-N 302.330 3.071 10 10 DGCE Oc1c(Cl)cccc1CNc1cnn(C[C@H]2CCCO2)c1 159733744 KYKJUXYHWACYOT-CYBMUJFWSA-N 307.781 3.033 10 10 DGCE CN1C[C@H](N(C)c2ccccc2)c2ccc(Cl)cc2[C@H]1CN 250605147 LAXNXJXIQWSRMP-MSOLQXFVSA-N 315.848 3.463 10 10 DGCE CCN[C@@H](c1ccccc1O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1936987150 PMOVARUPSGZNNR-CZUORRHYSA-N 320.433 3.300 10 10 DGCE C[C@@H]1CC[C@@H](CCNCc2cc(Br)ccc2O)O1 1967774743 GGNMKHMRGXNAIJ-MFKMUULPSA-N 314.223 3.202 10 10 DGCE CCN[C@H](c1ccccc1O)[C@@]1(NC(=O)OC(C)(C)C)C[C@@H]1C 1984173724 PGGQAOYJIYWQJW-WBHUJUFNSA-N 320.433 3.346 10 10 DGCE CC(C)(C)OC(=O)Nc1c(F)cccc1C(=O)NCCN=[N+]=[N-] 1985100140 DHCDHNNCPOZFIF-UHFFFAOYSA-N 323.328 3.213 10 10 DGCE CN[C@H](C[C@@H]1CC[C@H]1NC(=O)OC(C)(C)C)c1ccccc1O 1985968353 ZFFBKOCXIZYDPK-NWANDNLSSA-N 320.433 3.346 10 10 DGCE Oc1c(Br)cccc1CN1C[C@@H](F)C[C@H](F)C1 2011415987 UUJFRWVLXKVWCU-UWVGGRQHSA-N 306.150 3.037 10 10 DGCE C[C@H]1CCO[C@H](C)CN1Cc1cc(Br)ccc1O 2031607123 LQDHZGLTPXPVIC-WDEREUQCSA-N 314.223 3.154 10 10 DGCE CC(C)NCc1ccc(N2CC(C)(F)C2)c(Br)c1 2032476235 PMKCPTOFDNQPEE-UHFFFAOYSA-N 315.230 3.495 10 10 DGCE CN(C)Cc1cnn(-c2ccc(O)c(O)c2)c1C1CCCC1 2069795016 NHDVDTMRDYSQSG-UHFFFAOYSA-N 301.390 3.003 10 10 DGCE C[C@H](COC(F)F)NCc1cc(Cl)cc(Cl)c1O 2067267845 JHXVAWQUSUOMAC-ZCFIWIBFSA-N 300.132 3.416 10 10 DGCE C[C@H]1C[C@H](C)N(Cc2cc(Cl)cc(Cl)c2O)CCN1 2108181643 KEHYBQSRCBWIMG-UWVGGRQHSA-N 303.233 3.271 10 10 DGCE C[C@H](O)c1ccc(N(C)Cc2cccn2C)cc1Br 2114546873 ZSFWRGUULDXVCR-NSHDSACASA-N 323.234 3.477 10 10 DGCE CO[C@H](CSc1ncc(CNCC(C)C)s1)C1CC1 2232230512 CECNHBHXSDPDLW-CYBMUJFWSA-N 300.493 3.406 10 10 DGCE CC[C@@H](C)NCc1cnc(Sc2n[nH]c(C3CC3)n2)s1 2239999437 HQFAMHZZBOLWSS-MRVPVSSYSA-N 309.464 3.178 10 10 DGCE CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc2c(c1)OCO2 2296800800 WSSVPJZHZCPDFV-UHFFFAOYSA-N 321.336 3.134 10 10 DGCE O=C1NC(=S)SC1=Cc1ccc(OC2CCCC2)cc1 2297366975 LNDYWIYKZYLSGB-UHFFFAOYSA-N 305.424 3.497 10 10 DGCE COc1ccc(O)c(CNC(=O)C(C)=Cc2ccc(F)cc2)c1 2301549720 GQMJQGOBBDYHSK-UHFFFAOYSA-N 315.344 3.260 10 10 DGCE Cc1ccc(CN2CCCCCO2)c(O)c1Br 2307471117 QUCSVFKUDDEERE-UHFFFAOYSA-N 300.196 3.381 10 10 DGCE CCc1ccc2c(c1)[C@@]1(NN=C(Cc3ccccc3)S1)C(=O)N2 834588 FMCDHUPYGKJCFE-SFHVURJKSA-N 323.421 3.247 10 10 DGCE COc1ccc(N2CCN(Cc3nc4ccccc4o3)CC2)cc1 69579746 OZAGBVMHNHCMFN-UHFFFAOYSA-N 323.396 3.159 10 10 DGCE CCN(Cc1cc(Br)cc(C)c1O)[C@H](C)COC 124546472 DKGPQTCIJLXXJC-LLVKDONJSA-N 316.239 3.320 10 10 DGCE Cc1cc(O)c(CN2CCC(Cc3nccn3C)CC2)cc1C 121772294 MGJZPYBOFCSMMQ-UHFFFAOYSA-N 313.445 3.197 10 10 DGCE C[C@H](c1cccs1)N(C)CCC(=O)Nc1ccc(N)cc1 49725937 SLNCBIZNBJRBHC-GFCCVEGCSA-N 303.431 3.352 10 10 DGCE Cc1ccc([C@@H](C)Nc2cc(-n3cnnn3)ccc2C)c(O)c1 192765099 MXALHEQWRXRNMM-CYBMUJFWSA-N 309.373 3.158 10 10 DGCE CC[C@@H](Nc1ccc(N2CCOCC2)nc1)c1ccccc1O 192798135 JQGQAPZOZVQAQQ-MRXNPFEDSA-N 313.401 3.187 10 10 DGCE CN(c1ccc(CN)cc1)[C@@H]1CCOC2(CCSCC2)C1 94364458 LFKGVRKULSWNLH-MRXNPFEDSA-N 306.475 3.026 10 10 DGCE Nc1ccc(Oc2ccc(Br)cc2[N+](=O)[O-])nc1 236358585 YGPFKWULZUFFEB-UHFFFAOYSA-N 310.107 3.127 10 10 DGCE C[C@@H](N)c1ccc(N(C)CC(F)(F)F)cc1Br 235167485 XINKQVWZKIVZJT-SSDOTTSWSA-N 311.145 3.467 10 10 DGCE CC1(C)OC[C@@H]2C[C@@]21NCc1cc(Cl)cc(Cl)c1O 527766535 OTRSQRCJHDAUOD-LKFCYVNXSA-N 302.201 3.356 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1C[C@@H]2Oc1ccc(N)cc1 259643705 SCFYWJOAXQDPQV-INWMFGNUSA-N 318.417 3.436 10 10 DGCE CSc1ncc(CN[C@@]2(C(=O)O)CCCCC[C@@H]2C)s1 2374525060 YILGPTUNZNVPMF-HZMBPMFUSA-N 314.476 3.378 10 10 DGCE CC[C@H](N[C@H](CC)[C@H](O)C(F)F)c1ccc(N(C)C)cc1 296316688 GQEPLYPCYNMDDD-ZNMIVQPWSA-N 300.393 3.198 10 10 DGCE CCOc1cccc(CN2C[C@]34CCCC[C@]3(COC4)C2)c1O 827849979 KYBMILZTFIEFEP-KDURUIRLSA-N 317.429 3.184 10 10 DGCE CCC(C)(C)CNC(=O)/C=C\c1ccc(N2CCOCC2)cc1 588590742 JBBXOFBSURRNGD-YFHOEESVSA-N 316.445 3.089 10 10 DGCE O=C1N=C(N2CCCCC2)S/C1=C\c1cc2cccnc2o1 834408543 LRGUXEQXZVDFQG-RAXLEYEMSA-N 313.382 3.284 10 10 DGCE Cc1ccc([C@H](C)CNC(=O)/C=C\c2ccc(O)c(O)c2)cc1 588407174 MUKGVNBFQXGAJI-LBIZBFCRSA-N 311.381 3.339 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)[C@H](OC)C1CCCC1 830141119 NDOMOWTUFROEMU-QGZVFWFLSA-N 305.418 3.336 10 10 DGCE Cc1ccc([C@@H](C)NC(=O)NCCc2ccc(N)cc2)cc1F 841857919 LCZHFOZIYUBWAW-CYBMUJFWSA-N 315.392 3.319 10 10 DGCE Cc1cc(O)c(CNc2ccc(C3(O)COC3)cc2)c(Cl)c1 840945790 XTZVZPMGNWFRTK-UHFFFAOYSA-N 319.788 3.184 10 10 DGCE COc1ccc(/C=C(\C)C(=O)NCc2ccccc2O)cc1F 755516401 RAYOQZUKIGWWEB-FMIVXFBMSA-N 315.344 3.260 10 10 DGCE Cc1ccc(O)c(CNC(=O)NC2CCC3(CC2)CC3(F)F)c1 858615318 HEEUVVDMEUTROH-UHFFFAOYSA-N 324.371 3.468 10 10 DGCE COc1ccc(O)c([C@@H](C)Nc2cccc(-n3nccn3)c2)c1 864021556 CZBRMSNSYOWKDH-GFCCVEGCSA-N 310.357 3.155 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1Nc1c(N)cccc1F 1959351481 MBSRYAXFEBGCEB-MFKMUULPSA-N 309.385 3.075 10 10 DGCE Oc1ccc(Cl)cc1CN1CCCC[C@H](N2CCCC2)C1 769233949 RZQJATCEXZQPKA-INIZCTEOSA-N 308.853 3.496 10 10 DGCE C[C@H](O)c1ccc(N2CC=C(c3ccc(Cl)nc3)CC2)nc1 865658226 YTLSTBYURGFBFR-LBPRGKRZSA-N 315.804 3.477 10 10 DGCE CCNCc1cc(F)c(N2CCS[C@H](C)[C@@H]2C)c(F)c1 133287361 XXVRVLHBOGFSEU-WDEREUQCSA-N 300.418 3.405 10 10 DGCE CC[C@H]1CCCC[C@H]1OCC(=O)N1Cc2cccc(O)c2C1 871203514 AYKLMSGNCNTYFC-SUMWQHHRSA-N 303.402 3.220 10 10 DGCE Oc1cc(Br)ccc1CNOCc1ccccc1 691457359 YNVPBTSSSGPDTP-UHFFFAOYSA-N 308.175 3.376 10 10 DGCE CC[C@H]1CCN1Cc1c(O)ccc(C(=O)c2ccccc2)c1O 793823987 QXGOICCFOBHSTH-AWEZNQCLSA-N 311.381 3.313 10 10 DGCE CCC[C@@H]1COC[C@@H]1NCc1cccc(Br)c1O 699558360 QZGRURWOHADUMT-YPMHNXCESA-N 314.223 3.059 10 10 DGCE CCCN[C@@]1(C(=O)O)CCC[C@@H]1CCSc1nccs1 93629925 DULJNWJWGFEMRF-RISCZKNCSA-N 314.476 3.248 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)c1ccc(C(F)F)o1 1162612365 ICKZQTCJSHQJRX-UHFFFAOYSA-N 318.279 3.401 10 10 DGCE O=C(NCc1cccc(Cl)c1O)NC[C@@H]1CC[C@@H]2C[C@H]2C1 1313062129 DSAGPMGUMCSUSK-NQBHXWOUSA-N 308.809 3.281 10 10 DGCE OC[C@@H](CCc1ccccc1)NCc1ccc(N2CCCC2)cc1 1339894689 DLMWUZVSPDEZEF-HXUWFJFHSA-N 324.468 3.370 10 10 DGCE CCN(CCN=[N+]=[N-])C(=O)c1csc(Br)c1 1900612284 GFGKLZUFLYEBBZ-UHFFFAOYSA-N 303.185 3.283 10 10 DGCE Cc1cc(O)c(CN2CCO[C@]3(CCSC3)C2)cc1Cl 1330818326 OHUCOUNLKZGUKY-OAHLLOKOSA-N 313.850 3.062 10 10 DGCE CCN(CCSC)c1cc(Br)c(CN)cc1F 1917005042 LZKISJYSXDVTBK-UHFFFAOYSA-N 321.259 3.236 10 10 DGCE O=C(CCc1ccsc1)NCc1ccc2cccnc2c1O 1451956947 QNJBOWBTYLBNJS-UHFFFAOYSA-N 312.394 3.251 10 10 DGCE C[C@H]1CC=C(C(=O)N2CCOc3cc(N(C)C)ccc32)CC1 1293955330 GKJXOMGQXXZQPD-ZDUSSCGKSA-N 300.402 3.224 10 10 DGCE C[C@H](c1cc(F)ccc1F)N(C)C(=O)Cc1ccc(O)c(O)c1 1464071109 HXJZZZHIRBAIQT-SNVBAGLBSA-N 321.323 3.138 10 10 DGCE CCN1N=C(C)/C(=C\c2cc(Br)ccc2F)C1=O 1865673540 KLKJTQSSGUUJGD-YRNVUSSQSA-N 311.154 3.210 10 10 DGCE CCOc1ccc(N2CCN(C(=O)C(F)=C3CCC3)CC2)cc1 1545931594 NRLTZCIRBAZJPS-UHFFFAOYSA-N 318.392 3.141 10 10 DGCE Cc1ccc(N(C)C(=O)Cc2ccc(O)c(O)c2)cc1Cl 1633250701 VQQARZBAUAJFFG-UHFFFAOYSA-N 305.761 3.265 10 10 DGCE CC(C)(C)OC(=O)N[C@H](C[C@H](N)c1ccccc1O)C1CC1 1928473408 AXVFKWAMBJUCQN-UONOGXRCSA-N 306.406 3.085 10 10 DGCE COC(=O)C1(NCc2ccc(N(C)C)c(C)c2)CCCCCC1 1645177752 DOXXAKJTWALMNT-UHFFFAOYSA-N 318.461 3.417 10 10 DGCE COC1(CNC(=O)N[C@@H](C)c2ccccc2O)CCCCCC1 1684602232 WTZQJQGJQXOQSK-AWEZNQCLSA-N 320.433 3.492 10 10 DGCE Oc1cc2c(cc1CN1CC=C(c3ccccc3)CC1)OCO2 5067414 DEHPUWVKKGZVQV-UHFFFAOYSA-N 309.365 3.410 10 10 DGCE CC[C@H]1CN(Cc2cc(Cl)cc(OC)c2O)[C@H](CC)CN1 169220703 JRALOWFVMQDXMR-UONOGXRCSA-N 312.841 3.017 10 10 DGCE O=C(O)[C@@H](Nc1cccc(Br)c1)c1ccccc1O 166123953 SNZXQBCUTLYZLO-ZDUSSCGKSA-N 322.158 3.393 10 10 DGCE CCCCOc1ccc(/N=N/N2CCN(C(C)=O)CC2)cc1 1860486923 QRNMKNDDHWQWAM-ISLYRVAYSA-N 304.394 3.028 10 10 DGCE C[C@@H]1CC[C@@H](CCNCc2c(O)cccc2Br)O1 1967775946 PBPUEWIJIWVMRC-MNOVXSKESA-N 314.223 3.202 10 10 DGCE C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)[C@@H](O)c1ccc(N(C)C)cc1 1977960770 WJOVUNDGYGKXOA-DVOMOZLQSA-N 322.449 3.335 10 10 DGCE C[C@@H](N(Cc1ccccc1)c1ccc(CN)cc1F)C(C)(C)O 1980733070 JYTFAASPKCNYFF-CQSZACIVSA-N 316.420 3.450 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(CCN=[N+]=[N-])CC1 1982242618 PJKBJXBOKSIUGD-AWEZNQCLSA-N 323.441 3.408 10 10 DGCE Cc1ccc(O)c(CNCC2(N(C)C(=O)OC(C)(C)C)CC2)c1 1988064890 ZUYVKUKKAKKQAC-UHFFFAOYSA-N 320.433 3.190 10 10 DGCE Oc1c(Br)cccc1CNC[C@H]1CCC1(F)F 2011542380 WADNNUJXXCIUTF-SECBINFHSA-N 306.150 3.290 10 10 DGCE Nc1ccc(OC[C@@H](O)CSc2cccc(Cl)c2)cc1 54185170 BJUMYYDIBKKOBW-CYBMUJFWSA-N 309.818 3.454 10 10 DGCE OCc1ccc(N2CCC[C@@H](C(F)F)C2)cc1Br 2032456136 AOQMBYLVJZMUEO-SECBINFHSA-N 320.177 3.423 10 10 DGCE C[C@@H]1CCN(C(=O)C=Cc2cnn(C)c2)c2ccccc2S1 2040968019 BMGZSTHTGOZGAB-CYBMUJFWSA-N 313.426 3.351 10 10 DGCE C[C@H]1[C@@H](CNCc2cc(Br)cc(F)c2O)C1(F)F 2036008262 ZXFHTZRDUANZND-IMTBSYHQSA-N 324.140 3.285 10 10 DGCE COC(=O)[C@H](NCCN=[N+]=[N-])c1cc(Cl)c(Cl)s1 2037474064 ADGSEBHTTBEERT-SSDOTTSWSA-N 309.178 3.169 10 10 DGCE CC[C@@H](c1cc(Br)ccc1O)N(C)[C@H](C)CCN 2040925035 MPISJFWIPXUTFD-MFKMUULPSA-N 315.255 3.275 10 10 DGCE CC(C)[C@H]1COC[C@@H]1N(C)c1cc(Cl)c(CN)cc1F 2177382885 GNBLRUJOSIJZFD-ABAIWWIYSA-N 300.805 3.045 10 10 DGCE C[C@H](c1c(O)cccc1F)n1cc(C(=O)OC(C)(C)C)cn1 2069978328 VRGKWPSYOUNXIA-SNVBAGLBSA-N 306.337 3.292 10 10 DGCE CNCc1cc(C2CCCC2)nn1Cc1c(O)cccc1F 2070086994 NGDZLVGSMRQVSQ-UHFFFAOYSA-N 303.381 3.153 10 10 DGCE CCCN[C@]1(C(=O)O)C[C@@H](C)C[C@@H](Sc2nccs2)C1 2175482013 BLXPMELLENATJX-MISXGVKJSA-N 314.476 3.247 10 10 DGCE COc1ccc([C@H](C)n2nc(C(F)F)c(N)c2Cl)c(O)c1 2079873825 VEBGKIXCFHYKRD-LURJTMIESA-N 317.723 3.380 10 10 DGCE CC[C@@H](c1cc(C)c(C)cc1O)n1nc(C2CC2)c(N)c1N 2079982324 VEHBICXKWVPLMI-ZDUSSCGKSA-N 300.406 3.247 10 10 DGCE CCO[C@@H](CNCc1c(O)cccc1Br)C(C)C 2068093946 OCQRLHVYBLRLNG-AWEZNQCLSA-N 316.239 3.305 10 10 DGCE NC[C@@H](Nc1c(N)cccc1Br)C1CCCCC1 2071607040 OKFIKDYTMKVZLM-CYBMUJFWSA-N 312.255 3.351 10 10 DGCE C[C@@H](NC[C@]1(Br)CC1(F)F)c1cc(F)ccc1O 2082489078 KEDGXORDIZJVGI-RDDDGLTNSA-N 324.140 3.355 10 10 DGCE CN(C)c1ccc([C@H](NN)c2snc(Cl)c2Cl)cc1 2110894689 GHKMKDVQXPCZDJ-JTQLQIEISA-N 317.245 3.069 10 10 DGCE Cc1cc(Br)c(C(=O)N2CC[C@H](N=[N+]=[N-])C2)s1 2215962149 AEKIYJKWLSKITC-ZETCQYMHSA-N 315.196 3.344 10 10 DGCE COc1ccc(Br)c(CNC[C@@]2(F)C[C@H]2C)c1O 2220462263 JCWJFSISTQENRN-OQPBUACISA-N 318.186 3.001 10 10 DGCE Nc1ncccc1OCc1c(F)cc(Br)cc1F 2259016162 YYUIQWFVIYIVAF-UHFFFAOYSA-N 315.117 3.284 10 10 DGCE CC[C@@H](NCC[C@@H]1CCO1)c1cc(Br)ccc1O 2264021331 JOCILSASHWZHRD-DGCLKSJQSA-N 314.223 3.374 10 10 DGCE O=C(C=Cc1ccc(Cl)nc1)N1CCOc2cccc(F)c21 2304528929 MODKNTDDSRACHQ-UHFFFAOYSA-N 318.735 3.313 10 10 DGCE COc1ccc(O)c(CNC(=O)C=Cc2cc(C)cc(C)c2)c1 2306917434 TVTWKLCRTPZIRT-UHFFFAOYSA-N 311.381 3.347 10 10 DGCE CCOC1(C)CCC(Sc2nccs2)(C(=O)O)CC1 2351875447 SGKHFWIKUHDMPJ-UHFFFAOYSA-N 301.433 3.428 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)Nc1ncnc2c(F)cccc12 302768372 AVOOJEHDNNAQAQ-JTQLQIEISA-N 313.332 3.223 10 10 DGCE COc1cccc(CNC(=O)[C@@H]2C[C@@H]2C2CCCCC2)c1O 175930401 HQQVSIPPFSCIFS-HUUCEWRRSA-N 303.402 3.233 10 10 DGCE CC(C)(C)OC(=O)Nc1cccc(O)c1[C@@H]1NCCCCC1=O 1952981846 KJOXUNLEYYRCSX-OAHLLOKOSA-N 320.389 3.123 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccc(C(F)F)cc1 185406646 AUXIAHNNRWJUDD-XBXARRHUSA-N 319.307 3.365 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1C[C@H]2CC[C@H]1O2 191467462 RWPDLVWPCVHVOL-VNHYZAJKSA-N 316.426 3.205 10 10 DGCE Cc1ccc([C@H](C)NC[C@H]2c3ccccc3C(=O)N2C)c(O)c1C 528002031 KVEBQUOFCQRBMZ-KSSFIOAISA-N 324.424 3.487 10 10 DGCE CC[C@@H](C)CN(C)C(=O)/C=C\c1ccc(N2CCOCC2)cc1 255392467 LVXHVDPTQTUWNY-BSDKJSHOSA-N 316.445 3.041 10 10 DGCE Cc1cc(O)c(CN[C@H](c2ccccc2)c2nc[nH]n2)cc1C 369019466 YGIMSTUBCVGIOO-QGZVFWFLSA-N 308.385 3.006 10 10 DGCE CC1(C)CN(c2ccc(/C=C/C(=O)O)c(Br)c2)C1 380941733 MHYPCYSOJQIQPR-GQCTYLIASA-N 310.191 3.393 10 10 DGCE Cc1cc(O)c(CNc2ccc(COCCO)cc2)c(Cl)c1 818233333 JDNNIAYCYVSTOF-UHFFFAOYSA-N 321.804 3.475 10 10 DGCE CCn1nncc1COc1ccc2c(c1)c1c(n2C)CCCC1 647164343 QPCJNYHLYLIUQR-UHFFFAOYSA-N 310.401 3.248 10 10 DGCE COCC[C@H](COC)N[C@H](C)c1cc(Cl)cc(C)c1O 810257735 UYDTWHWVKAAAID-DGCLKSJQSA-N 301.814 3.056 10 10 DGCE COc1ccc2c(c1)CCCN2C(=O)/C=C\c1cccnc1C 822341813 KHGBKLBYIVGBFG-YFHOEESVSA-N 308.381 3.391 10 10 DGCE CC[C@H](N[C@@H](C)c1cc(Cl)cc(C)c1O)[C@@H](O)C(F)F 834875862 UWSUOBDCVLTWSP-LJUAHTATSA-N 307.768 3.409 10 10 DGCE COc1ccc(N(Cc2nsc(N(C)C)n2)CC2CC2)cc1 831587762 KVFCPWFDVWDBHL-UHFFFAOYSA-N 318.446 3.029 10 10 DGCE O=C(NCc1ccccc1OC(F)(F)F)c1cc(O)cs1 731865897 AJNNUHLDPCHIJD-UHFFFAOYSA-N 317.288 3.282 10 10 DGCE O=C(NCC[C@@H]1CSc2ccccc2O1)c1cc(O)cs1 844146037 HSHFCRQYJGWGLE-LLVKDONJSA-N 321.423 3.127 10 10 DGCE Cc1ccc(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)c(O)c1O 751535083 MEBDHPUVPAURNH-CQSZACIVSA-N 317.772 3.477 10 10 DGCE CC(C)Oc1ccc(N(C)CC(=O)NC2CCCCC2)cc1 759916371 UVGGJAIUCDOEII-UHFFFAOYSA-N 304.434 3.359 10 10 DGCE C[C@H](NC[C@]1(C(F)(F)F)CCCN1)c1cc(F)cc(F)c1O 925856042 PUKKWDVVNCSFOR-SDBXPKJASA-N 324.293 3.006 10 10 DGCE CCOc1ccc(O)c(CN[C@H]2COc3cc(F)ccc3C2)c1 850381632 HWLSBSFIUPHKQU-OAHLLOKOSA-N 317.360 3.023 10 10 DGCE COc1cc(O)c(CN(CCC2CC2)CC2CC2)cc1OC 853604962 BMVDJGVZEWEGQK-UHFFFAOYSA-N 305.418 3.422 10 10 DGCE COC[C@H](N[C@H](C)c1cc(Cl)ccc1O)C1CCOCC1 850494740 XURQAPUUXAFVDH-ABAIWWIYSA-N 313.825 3.138 10 10 DGCE C[C@H](NS(=O)(=O)c1ccc(C2CC2)cc1)c1ccccc1O 867836606 ZSQPQJPEVONHJF-LBPRGKRZSA-N 317.410 3.309 10 10 DGCE Nc1ccc(Cn2cccc(OCc3ccc(F)cc3)c2=O)cc1 57874919 BKVKASRZOIZOHE-UHFFFAOYSA-N 324.355 3.197 10 10 DGCE O=[N+]([O-])c1ccc(O)c(CNCC2([C@@H]3CCCCO3)CCC2)c1 865726894 UNDVYCYSRORYJU-INIZCTEOSA-N 320.389 3.129 10 10 DGCE C[C@@H]1CN(Cc2cc(F)c(N(C)C)cc2F)C2(CCC2)CO1 862403940 YOTPOGMDNUAVDA-GFCCVEGCSA-N 310.388 3.174 10 10 DGCE CC(C)[C@@H](C(=O)Nc1ccc(N)cc1)N(C)C1CCCCC1 62461171 OWFFFCLNZNUAOC-KRWDZBQOSA-N 303.450 3.496 10 10 DGCE COc1ccc(N2CCC(N[C@@H]3CC[C@@H]3SC)CC2)cc1 766600829 GVUSPJLGNWSBLD-SJORKVTESA-N 306.475 3.148 10 10 DGCE O=C(c1ccc(OC2CCCC2)nc1)N1Cc2cccc(O)c2C1 871204396 HTTGPFZWQBBLRD-UHFFFAOYSA-N 324.380 3.265 10 10 DGCE COc1ccc(O)c(CNCCc2ccc3ccccc3n2)c1 776151826 WHMVGJAFCRGCFS-UHFFFAOYSA-N 308.381 3.281 10 10 DGCE COc1ccc(O)c([C@H](C)Nc2ccc3ccc(=O)n(C)c3c2)c1 786942412 VSJNABOQHKLKNX-LBPRGKRZSA-N 324.380 3.426 10 10 DGCE CCc1cccc(CN[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c1O 691522009 JOVAIUAMLONVQO-QWHCGFSZSA-N 322.449 3.346 10 10 DGCE Oc1cc(Cl)ccc1CN[C@H]1CCOC[C@H]1C(F)(F)F 1916610269 RHEQCLHNDQZVJB-MNOVXSKESA-N 309.715 3.103 10 10 DGCE Cc1ccc(F)c2oc(C(=O)NCc3cc(O)ccc3O)cc12 1153889390 OHFYXBPVHJVXEU-UHFFFAOYSA-N 315.300 3.222 10 10 DGCE COC[C@@H](CN1CCCN(c2ccc(OC)cc2)CC1)C(C)C 1167107621 FKIRRCALEZYLLT-QGZVFWFLSA-N 320.477 3.126 10 10 DGCE O=C(Nc1c(Cl)ccc2nonc12)c1scnc1C1CC1 1326037380 GKVKYVRFIBEPJL-UHFFFAOYSA-N 320.761 3.462 10 10 DGCE CO[C@]1(C(F)(F)F)CCN(Cc2ccc(N(C)C)c(C)c2)C1 1197326685 UURFXGKPLINMQD-OAHLLOKOSA-N 316.367 3.214 10 10 DGCE CC[C@](C)(O)CN(Cc1ccccc1)c1ccc(OC)cc1N 1915142473 DBHBWAOPUUWWPR-IBGZPJMESA-N 314.429 3.445 10 10 DGCE CN(Cc1cnn(Cc2ccccc2)c1)c1ccc(CN)cc1F 1915034141 OXRZDTJMFYQNIJ-UHFFFAOYSA-N 324.403 3.166 10 10 DGCE Cc1ccc2nc(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)cn2c1 1517374877 SLZZQCCSQSUDOX-AWEZNQCLSA-N 322.412 3.200 10 10 DGCE CCNCc1ccc(N2CC(F)(F)C2)cc1Br 1917015649 YMYWAPJVSCXGDC-UHFFFAOYSA-N 305.166 3.014 10 10 DGCE COc1ccc(CNC[C@H](C)N(C)Cc2ccccc2)c(O)c1 111389438 FQMZHUXLBVNUIP-HNNXBMFYSA-N 314.429 3.011 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)NC[C@H]2C[C@@H]2C2CCCC2)cc1 1520906668 TWCZHMAZKOFAJJ-UKRRQHHQSA-N 314.389 3.405 10 10 DGCE CC[C@H](N[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C)c1ccccc1O 227548220 JOIRUZNICSXMRH-MJBXVCDLSA-N 306.406 3.099 10 10 DGCE CC(=O)c1ccc(NCc2cc(C)ccc2O)c([N+](=O)[O-])c1 1472835663 GLGOWWGEOKWERB-UHFFFAOYSA-N 300.314 3.424 10 10 DGCE C[C@@H]1CN(C(=O)/C=C/c2cccnc2)c2cc(F)c(F)cc2O1 1617199880 LKYZXORJINQMGF-SGUJLRQBSA-N 316.307 3.187 10 10 DGCE Cc1ccc(-n2ccc(NC(=O)c3ccc(C)c(O)c3O)n2)cc1 1639542917 QNGLQSIJIZARBT-UHFFFAOYSA-N 323.352 3.153 10 10 DGCE COc1cc2c(c(OC)c1)N(C[C@H](OC)C1CCC1)CCC2 1646203353 GMMAVEUPVGKEPW-KRWDZBQOSA-N 305.418 3.272 10 10 DGCE COc1ccc(CN[C@@](C)(c2noc(C)n2)C2CC2)cc1C 1643213155 RCYIORPIFKWWBG-QGZVFWFLSA-N 301.390 3.110 10 10 DGCE CC(=O)c1cc(C(=O)NCc2cc(Cl)ccc2O)ccc1C 1640919819 BRRNQPORTFYACJ-UHFFFAOYSA-N 317.772 3.487 10 10 DGCE O=C(c1ccnc(-c2ccco2)c1)N1Cc2cccc(O)c2C1 1587933320 RDYNEDBTMNRYGE-UHFFFAOYSA-N 306.321 3.203 10 10 DGCE CC(C)(C(=O)NCCCSc1nccs1)c1ccccn1 1585222570 PBKJJXYTJHTZBO-UHFFFAOYSA-N 321.471 3.114 10 10 DGCE C[C@H](NC(=O)N1C[C@H]2CCCC[C@H]21)c1ccc(N(C)C)cc1 1686173762 OSEGTJRWWUDYQZ-YSVLISHTSA-N 301.434 3.398 10 10 DGCE CNCc1ccc(N2C[C@@H](C)OC[C@H]2C)c(C(F)(F)F)c1 163675186 IIBILLJLPANQPF-GHMZBOCLSA-N 302.340 3.038 10 10 DGCE CCN1N=C(C(F)(F)F)/C(=C/c2c[nH]c3ccccc23)C1=O 1865672961 PJZRROMOUCAPQB-XFFZJAGNSA-N 307.275 3.332 10 10 DGCE Cc1ccc(CNC2CC(CNC(=O)OC(C)(C)C)C2)c(O)c1 1964595724 XWHYDJLKAGOYIG-UHFFFAOYSA-N 320.433 3.094 10 10 DGCE CN[C@H](C)c1ccc(N2CC(SC)C2)cc1Br 1948312884 AGFGOCDVDISEHE-SECBINFHSA-N 315.280 3.281 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@]2(Nc3ccc(N)cc3)C[C@H]2C1 1977675371 YHXOVHJOAUDYHD-UGSOOPFHSA-N 317.433 3.470 10 10 DGCE CC[C@@](C)(O)CN(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 1977930798 ZQDOLANEIRCSIK-GOSISDBHSA-N 322.449 3.309 10 10 DGCE CC(C)(C)OC(=O)NC[C@H]1CCN(c2ccc(N)cc2)C1(C)C 1977983694 WMJVFWVNXSVQRE-CYBMUJFWSA-N 319.449 3.398 10 10 DGCE CCN(CC)c1ccc([C@H](CNC(=O)OC(C)(C)C)NC)cc1 1977942535 WGNQNLCZTIHFOE-INIZCTEOSA-N 321.465 3.318 10 10 DGCE CN(C)c1ccc([C@@H](N)[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)cc1 1977945044 LVRXSZBEDYYSRH-IJEWVQPXSA-N 319.449 3.056 10 10 DGCE C[C@H](O)c1ccc(N2C[C@H]3C[C@H]2CN(Cc2ccccc2)C3)cc1 1997908763 AQCMFUMTCGPTGH-MDKPJZGXSA-N 322.452 3.451 10 10 DGCE C[C@@H](O)c1ccc(N2CCOCC[C@H]2C)cc1Br 2031689436 RTWQHFZUMBDSGB-GHMZBOCLSA-N 314.223 3.118 10 10 DGCE CC(F)(F)C1CN(c2cc(Br)c(CN)cc2F)C1 2034064658 VQUNQVCKFUJWCG-UHFFFAOYSA-N 323.156 3.138 10 10 DGCE CC(C)[C@@H]1COC[C@@H]1N(C)c1cc(Cl)c(CN)cc1F 2177382887 GNBLRUJOSIJZFD-NHYWBVRUSA-N 300.805 3.045 10 10 DGCE CCc1nn([C@@H](c2ccc(C)cc2O)C(C)(C)C)c(N)c1C=O 2079126642 BHQXHRDSLMWOKQ-INIZCTEOSA-N 315.417 3.490 10 10 DGCE C[C@@H]1CNC[C@@H](C)N(Cc2cc(Cl)cc(Cl)c2O)C1 2102880286 NGXFNHBFQFEKSR-NXEZZACHSA-N 303.233 3.129 10 10 DGCE C[C@](O)(c1ccc(Br)cc1)[C@H](N)c1ccccc1O 2091867475 MKZDBLAHMLEIAC-CABCVRRESA-N 322.202 3.062 10 10 DGCE CCCn1cncc1CNCc1cc(Br)ccc1O 2096720769 RHIWFHQILJLXNU-UHFFFAOYSA-N 324.222 3.051 10 10 DGCE FC1CN(c2ccc(CNC3CCC3)cc2Br)C1 2223530916 KWVOTXSSXRXQDQ-UHFFFAOYSA-N 313.214 3.249 10 10 DGCE CN[C@@H](C)c1ccc(N(C)C[C@]2(F)CCOC2)cc1Cl 2238284503 KQBWXMXENZAGII-XHDPSFHLSA-N 300.805 3.185 10 10 DGCE C[C@]1(CNCc2cc(Cl)cc(Cl)c2O)CCC[C@H]1O 2271306355 RMJFOVSQQHIMLQ-TZMCWYRMSA-N 304.217 3.340 10 10 DGCE CSc1ncc(CNc2ncnc3snc(C)c23)s1 2269100354 RJDQMWKDUDLAMM-UHFFFAOYSA-N 309.445 3.185 10 10 DGCE COC(=O)c1ccc([C@@H](C)NCc2cnc(SC)s2)o1 2284495677 BHGPHIMFVMPQDL-MRVPVSSYSA-N 312.416 3.095 10 10 DGCE NN1C(=O)C(=Cc2c(Cl)cccc2Cl)SC1=S 2294874506 JBMTWGOYDIAHPN-UHFFFAOYSA-N 305.211 3.068 10 10 DGCE COc1cccc2c1N(C(=O)C=Cc1cncc(C)c1)CCC2 2302357569 BGHGARFOZCLSAD-UHFFFAOYSA-N 308.381 3.391 10 10 DGCE Cc1ccc(CN2C(=O)C[C@H](C)[C@H]2C)c(O)c1Br 2327802162 XQJJAIIIZLTXPA-VHSXEESVSA-N 312.207 3.220 10 10 DGCE CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 109088328 HWEKWUKTUMHKKS-ZIAGYGMSSA-N 317.335 3.433 10 10 DGCE COc1cc(OC)c(-n2c(C)cc(C(=O)O)c2C)cc1Cl 21804900 KQUYZAAAXSKQEK-UHFFFAOYSA-N 309.749 3.463 10 10 DGCE COc1ccc(CNCc2ccc(-n3ccnc3)cc2)cc1C 66876473 VOTHUHCBDYMRQB-UHFFFAOYSA-N 307.397 3.479 10 10 DGCE CC(F)(F)c1csc(CNCc2ccc(F)cc2O)n1 2360800417 CZQVHENLRILPHW-UHFFFAOYSA-N 302.321 3.389 10 10 DGCE Cc1cc(O)ccc1NS(=O)(=O)c1cccc(Cl)c1C 151871298 JVUHOXNKKPSMFL-UHFFFAOYSA-N 311.790 3.463 10 10 DGCE Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NCc1ccc(N(C)C)cc1 127728314 RCBISMMNDBWFSI-OALUTQOASA-N 308.425 3.481 10 10 DGCE CCN(CCN=[N+]=[N-])C(=O)CSc1ccc(F)c(F)c1 2362991555 VWLQQJZYRIATJZ-UHFFFAOYSA-N 300.334 3.216 10 10 DGCE CC[C@H](N)Cc1cccc2c1ccn2CCOC(F)(F)F 89056588 IGVJMGGJBAIENS-LBPRGKRZSA-N 300.324 3.458 10 10 DGCE NCCc1ccccc1C(=O)Nc1cccc(N2CCCC2)c1 321769399 NYAKBSSJUXRTMV-UHFFFAOYSA-N 309.413 3.040 10 10 DGCE COc1cc(Cl)c(N(C)CCCCCCN)c(OC)c1 2368286158 UMUYZIZTVQAZQT-UHFFFAOYSA-N 300.830 3.313 10 10 DGCE COc1c(C)cc(CN(C)C(=O)Cc2ccc(N)cc2)cc1C 237127338 VANYGROLGJFMGC-UHFFFAOYSA-N 312.413 3.095 10 10 DGCE C[C@H](NC[C@]1(C)COc2ccccc2O1)c1ccc(F)cc1O 527930969 IUYHWHACKUNIOK-KPZWWZAWSA-N 317.360 3.412 10 10 DGCE CCCN(CCC)c1ccc(CN2CC[C@H](CC(N)=O)C2)cc1 809785053 NESAVINDTVIAOC-QGZVFWFLSA-N 317.477 3.010 10 10 DGCE O=C(O)/C=C\c1ccc(N2C[C@H]3C[C@H]3C2)c(Br)c1 380373894 FBOFCRJGZVDYHE-XVBRFGGHSA-N 308.175 3.003 10 10 DGCE COCC1(C2CCC2)CN(Cc2cc(Cl)c(F)cc2O)C1 827011789 OWCCWZLKXCSCSF-UHFFFAOYSA-N 313.800 3.433 10 10 DGCE COc1cc2c(c(OC)c1)N(C[C@@H]1CCO[C@@H](C)C1)CCC2 839656410 KFJXJHAVPAAOPP-UONOGXRCSA-N 305.418 3.272 10 10 DGCE C[C@H](NC[C@@H]1CC[C@@H](C(F)(F)F)O1)c1cc(F)ccc1O 903179553 QHACUBDEGYBBHV-FWDPORAESA-N 307.287 3.292 10 10 DGCE CCCN1CCC(NC/C=C\c2ccc(N(C)C)cc2)CC1 835043471 UTUCITIWWRIRDA-WAYWQWQTSA-N 301.478 3.230 10 10 DGCE COC(=O)/C=C/c1ccc(N(C)CCC(C)C)c([N+](=O)[O-])c1 917094807 KNBUKUIGHYYBPM-SOFGYWHQSA-N 306.362 3.263 10 10 DGCE CC[C@@H](NCc1cc(F)cc(C(C)=O)c1O)[C@@H]1CCCCO1 847074707 BTWLJOFSPHMYDR-CVEARBPZSA-N 309.381 3.171 10 10 DGCE COc1cc(Br)cc([C@H](C)NC[C@@H]2C[C@H]2C)c1O 848526957 MXEVIKPKYFJZPP-UTLUCORTSA-N 314.223 3.470 10 10 DGCE COC(=O)c1ccc(O)c([C@H](C)NC[C@@H]2C[C@H]2C(F)(F)F)c1 926951400 QTJJYVSNKSQRMD-PTOFAABTSA-N 317.307 3.028 10 10 DGCE O=C(c1c(F)ccc(O)c1O)N1CCCC2(CCCC2)CC1 857305340 DDTLUEJPYWHYIF-UHFFFAOYSA-N 307.365 3.423 10 10 DGCE c1cc2c(cc1CN[C@H](C1CC1)[C@H]1CCCOC1)CCCO2 922901293 OREUFKNAEMPLKF-PKOBYXMFSA-N 301.430 3.306 10 10 DGCE CSc1cc(CNC(=O)N[C@@H](C)c2ccccc2O)ccn1 868474529 KBPNQTIVWCJDQU-NSHDSACASA-N 317.414 3.070 10 10 DGCE Cc1cc(Br)c(O)c(CN[C@@H]2C[C@H](C)O[C@@H]2C)c1 865690137 WERYCQCSIZZWTI-OPQQBVKSSA-N 314.223 3.119 10 10 DGCE c1cc(N2CCCCC2)ccc1CN1CCO[C@H](C2CC2)C1 777223430 YPFPFNFGFVBPGV-IBGZPJMESA-N 300.446 3.288 10 10 DGCE COc1cc(O)c(CN[C@@H]2CCCC(F)(F)C2)cc1OC 776249219 SRKOYYYHUXPJNV-LLVKDONJSA-N 301.333 3.077 10 10 DGCE CC[C@H](NCc1cc(Cl)cc(F)c1O)[C@@H]1CCCOC1 895661350 ABKAPFGPFANIIG-YGRLFVJLSA-N 301.789 3.480 10 10 DGCE C[C@@H](NCCCCNC(=O)OC(C)(C)C)c1c(O)cccc1O 397855162 LZTUKFGKUOGZEY-GFCCVEGCSA-N 324.421 3.053 10 10 DGCE C[C@@H]1C[C@H](NCc2cccc(F)c2O)CN1Cc1ccccc1 398031688 NOEVXENWKLXTEP-PBHICJAKSA-N 314.404 3.284 10 10 DGCE COc1ccc(N(C)C(=O)/C=C/c2ccc(Cl)nc2)cc1 1130574365 HILVOIJRFXNRHE-ONNFQVAWSA-N 302.761 3.420 10 10 DGCE Cc1cc(C)c(O)c(CN2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c1 797418757 VQGYCCGUBOSNMC-BXWFABGCSA-N 319.445 3.167 10 10 DGCE CC1=C[C@@H](C)CN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 797440994 KTSFCAMWJKETBY-CQSZACIVSA-N 313.445 3.177 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)c2ccn(C)c2C)cc1 798851194 WBRDXNATLIBCHV-UHFFFAOYSA-N 313.445 3.452 10 10 DGCE CC(=O)c1cccc(CNC(=O)N[C@@H](C)c2ccccc2O)c1 1312950586 VUZUJYIQWKNEBM-LBPRGKRZSA-N 312.369 3.155 10 10 DGCE Cc1nc(NCc2c(O)cccc2O)c2c(C)csc2n1 1187717467 UKLXMDJSKJIODS-UHFFFAOYSA-N 301.371 3.331 10 10 DGCE Cc1cc(O)ccc1CC(=O)N[C@H](C)c1ccc(N(C)C)cc1 1348252140 FALLCEFIXDHNJO-CQSZACIVSA-N 312.413 3.187 10 10 DGCE Oc1cccc(Br)c1CN1[C@H]2CC[C@@H]1[C@H]1CC[C@H]2O1 1900481909 LHMUOFRGMLNGIW-AYRXBEOTSA-N 324.218 3.049 10 10 DGCE CCc1nc(CN2C[C@H](C(C)C)Cc3cc(OC)ccc32)no1 1473570682 ZTODUARHGJTBLL-CQSZACIVSA-N 315.417 3.476 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCCC1CC1 1629018577 OYZUPFATYLZTNJ-UHFFFAOYSA-N 310.397 3.437 10 10 DGCE C[C@H](C(=O)NCc1ccc2cccnc2c1O)c1cccc(F)c1 1627070083 WAPGFYNJFVTHRS-LBPRGKRZSA-N 324.355 3.499 10 10 DGCE O=C(Nc1cccc(O)c1Br)c1cc(O)cs1 1636029992 MMTKSIRCEBGQQF-UHFFFAOYSA-N 314.160 3.174 10 10 DGCE CC[C@@H](CNC(=O)CC(C)C)NCc1ccc(OC)c(C)c1 1567947429 LYEUHERDFNGFRS-INIZCTEOSA-N 306.450 3.034 10 10 DGCE O=C1/C(=C/N2CCCC2)SC(=S)N1c1ccc(F)cc1 6242012 JCFJDRBKLJXPGI-XFXZXTDPSA-N 308.403 3.128 10 10 DGCE CCC(=O)Nc1cccc(C(=O)Nc2cccc(N(C)C)c2)c1 1859140860 HFDMBHRZKZNUPG-UHFFFAOYSA-N 311.385 3.353 10 10 DGCE CN[C@@H](C)c1ccc(N(C)C2CSC2)c(Br)c1 1941421843 YHBGQOBDPUGCHN-VIFPVBQESA-N 315.280 3.281 10 10 DGCE Oc1c(F)cc(Br)cc1CN[C@@H]1CC[C@@H]2C[C@@H]21 1941000033 LSJPCRIYDRTLEO-INNHCVQGSA-N 300.171 3.182 10 10 DGCE CN[C@@H](C)c1ccc(N2CC(SC)C2)cc1Br 1948312885 AGFGOCDVDISEHE-VIFPVBQESA-N 315.280 3.281 10 10 DGCE Oc1c(Cl)cccc1CN[C@@H]([C@@H]1CCOC1)C(F)(F)F 2143639556 VFVKMZQBQNOVQL-SKDRFNHKSA-N 309.715 3.103 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@H]2[C@H](N)c1ccccc1O 1978356641 PRAYFCMPNHDAJV-WXYCVUISSA-N 318.417 3.038 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@]2(CCCN(CCN=[N+]=[N-])C2)C1 1982241459 HPDDYRJNGXTQLR-INIZCTEOSA-N 323.441 3.410 10 10 DGCE CC(C)(C)OC(=O)NCC1CC2(CCN2c2ccc(N)cc2)C1 1985551549 KTKSWWGHEOCOBC-UHFFFAOYSA-N 317.433 3.152 10 10 DGCE C[C@H](N)c1ccc(N2CCOCC[C@H]2C)cc1Br 2031623652 DXUMZUCZCYEUAC-MNOVXSKESA-N 313.239 3.084 10 10 DGCE CC[C@@H](CCNCc1c(O)cccc1Br)COC 2034914610 AVJPYRKUORWPBT-NSHDSACASA-N 316.239 3.307 10 10 DGCE CO[C@@H](C)CN(c1ccc(CO)cc1Br)C(C)C 688031246 ONURINPGBNIAFP-NSHDSACASA-N 316.239 3.191 10 10 DGCE Cn1ncc(NCc2cc(Cl)ccc2O)c1Br 694129226 CLHUXEKBCXDYRB-UHFFFAOYSA-N 316.586 3.154 10 10 DGCE Nc1ccc(OCc2nc3cccc(Br)c3[nH]2)cc1 388586742 XQIQQJPGQDRUIN-UHFFFAOYSA-N 318.174 3.487 10 10 DGCE C[C@H]1COCCCN1[C@@H](C)c1cc(Br)ccc1O 398956933 WDMWZDOBSKPRHB-QWRGUYRKSA-N 314.223 3.327 10 10 DGCE C[C@H](O)c1ccc(N(CC(F)(F)F)C2COC2)c(Cl)c1 2196630719 QIWXUGUJQKBSBX-QMMMGPOBSA-N 309.715 3.161 10 10 DGCE C[C@@H](F)[C@@H]1CCCN1c1ccc(CN)c(Br)c1F 2060888851 SNHQHUDRPILBIT-SCZZXKLOSA-N 319.193 3.374 10 10 DGCE C[C@H](CCNCc1ccc(N)cc1)CCNC(=O)OC(C)(C)C 2243681968 AIJGYAPFPSZTFW-CQSZACIVSA-N 321.465 3.299 10 10 DGCE CSc1ncc(CNC(=O)c2ccc3[nH]ccc3c2)s1 2284711830 KTBKBYMGSBRZQN-UHFFFAOYSA-N 303.412 3.276 10 10 DGCE CCN1CCc2cc([C@H](N)c3cocc3Br)ccc21 2270486983 AWLYHFANZSAJMW-HNNXBMFYSA-N 321.218 3.473 10 10 DGCE CC(=O)NC1=NC(=O)C(=Cc2ccc(C(C)(C)C)cc2)S1 2293239083 WBUVMTOAGJADPK-UHFFFAOYSA-N 302.399 3.091 10 10 DGCE Cc1ccc(CN2CCS[C@H](C)C2)c(O)c1Br 2307470484 IWSHYSOBNULAIR-SNVBAGLBSA-N 316.264 3.400 10 10 DGCE Cc1ccc(CNC2(C)CCOCC2)c(O)c1Br 2327624456 RJOLHEFMFKNLBM-UHFFFAOYSA-N 314.223 3.122 10 10 DGCE NC1C[C@H]2CC[C@H](C1)N2Cc1cc(Cl)cc(Cl)c1O 104009710 JEIUQMWNRIUCKQ-VXGBXAGGSA-N 301.217 3.153 10 10 DGCE Cc1ccccc1-n1c(C)cc(C(=O)N(C)[C@@H]2CCOC2)c1C 106848755 WYOPHJSWISKHFR-MRXNPFEDSA-N 312.413 3.263 10 10 DGCE C[C@@H](N)c1ccc(N(C)[C@H]2CCSC2)c(Br)c1 109567075 BVKCCIVAPPHNIY-KOLCDFICSA-N 315.280 3.411 10 10 DGCE Cn1cc(/C=C/C(=O)N2CCOc3ccncc32)c2ccccc21 174918943 KCFLSWOUIWUCDN-VOTSOKGWSA-N 319.364 3.012 10 10 DGCE C[C@H](N[C@@H](C)c1cc(F)ccc1O)c1ccc2c(c1)CC(=O)N2 185108528 ZERRTQAUBVNHCI-QWRGUYRKSA-N 314.360 3.438 10 10 DGCE COC(=O)c1ccc(/N=N\c2c(C(=O)O)nc3ccccn23)cc1 71581150 JBUDHNUPWJBNCS-HNENSFHCSA-N 324.296 3.235 10 10 DGCE [N-]=[N+]=NCCNC(=O)c1ccc(Cl)cc1Br 236044594 PTPMVWOLTDVLDV-UHFFFAOYSA-N 303.547 3.143 10 10 DGCE CC[C@H](CNC(=O)OC(C)(C)C)NCc1ccc(OC)c(C)c1 227726852 QOGKRQQMMXSFEM-OAHLLOKOSA-N 322.449 3.397 10 10 DGCE COc1cc(N)ccc1NC(=O)CCCSc1nccs1 40676678 CFKGTCPMFRZPDT-UHFFFAOYSA-N 323.443 3.245 10 10 DGCE COc1ccc(O)c(CN[C@@H](C)c2ccc(N(C)C)cc2)c1 89726209 MROUYZKYZVHNQA-ZDUSSCGKSA-N 300.402 3.318 10 10 DGCE CCN(CCCNCc1cccc(C)c1O)C(=O)OC(C)(C)C 224797151 FHZBSDKJCOOFDP-UHFFFAOYSA-N 322.449 3.437 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(C)c(CC)o1 808094433 OITULMOGKLYMRF-UHFFFAOYSA-N 308.374 3.272 10 10 DGCE O=C(NC1CC1)c1cccc(N[C@H]2CCc3cccc(O)c32)c1 296604350 XXNOWVXURGHNHK-INIZCTEOSA-N 308.381 3.384 10 10 DGCE Cc1cc(CN2[C@H]3CC[C@H]2[C@H](CO)C3)c(O)c(C(C)(C)C)c1 811795036 DBQFEPKEHQRBFX-ZOBUZTSGSA-N 303.446 3.343 10 10 DGCE COc1cncc(/C=C\CCN(C)c2ccc3c(c2)OCO3)c1 828098287 KUJSFUJTUKFZTE-HYXAFXHYSA-N 312.369 3.359 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2C[C@H]2C2CCC2)cc1 823776353 NZHFGZWVZHPSKI-JSGCOSHPSA-N 300.362 3.015 10 10 DGCE COc1cc(Cl)cc(CN2CCCC[C@@]3(CCNC3)C2)c1O 903959945 SOAQFGHPRVQNBO-KRWDZBQOSA-N 324.852 3.020 10 10 DGCE CN(C)c1ccc(/C=C\CNCC2(C(=O)O)CCCCC2)cc1 901784192 SKPLCDXKBRCEJI-SREVYHEPSA-N 316.445 3.391 10 10 DGCE CC[C@H](NC(=O)c1cc(O)cs1)c1nc2ccccc2[nH]1 732284396 OPHSAMBJHGBQBH-JTQLQIEISA-N 301.371 3.211 10 10 DGCE CCc1ccc(N(CC2CC2)C(=O)/C=C/c2cnccn2)cc1 836835036 JEHDCVNRQCRMON-JXMROGBWSA-N 307.397 3.495 10 10 DGCE C[C@H](O)C[C@H]1CCCCN1C/C=C/c1ccc(N(C)C)cc1 835051811 JYSGVXIFFVVARW-CIHFUWIRSA-N 302.462 3.391 10 10 DGCE CN(C)CC[C@@H](N[C@H]1CCc2cccc(O)c21)c1cccnc1 903381374 WBCQKNTVVGNJGZ-SJORKVTESA-N 311.429 3.057 10 10 DGCE CC(=O)C(C)(C)COC(=O)c1cc(C)n(-c2ccccn2)c1C 835916773 XQDIONQAQURYRN-UHFFFAOYSA-N 314.385 3.261 10 10 DGCE [N-]=[N+]=NCCCN1CCC(NC(=O)OCc2ccccc2)CC1 1954206693 KRLXPXRNVXVUTR-UHFFFAOYSA-N 317.393 3.078 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)C2(C)C[C@@H]3C[C@H]3C2)cc1 844857338 UGEFNSCEAVLRSX-GJZGRUSLSA-N 316.445 3.026 10 10 DGCE COCC1(CN[C@@H](C)c2cccc(C(F)(F)F)c2O)CC1 848560631 IEEQTVJDEIWOQQ-JTQLQIEISA-N 303.324 3.488 10 10 DGCE OC[C@@]12CC[C@@H]1CN(c1ccc(OCc3ccccc3)cc1)C2 1899864807 LTWCANIYJNCWTQ-XLIONFOSSA-N 309.409 3.474 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CC3(CCC3)OC[C@@H]2C)c1O 852441999 VVDHRPYMSSMZKM-NSHDSACASA-N 323.820 3.392 10 10 DGCE COc1ccc(N2CC[C@H](NCC3(OC)CCCCC3)C2)cc1 850346939 LJUPUEQMZNYAGZ-INIZCTEOSA-N 318.461 3.213 10 10 DGCE C[C@@H](NC[C@]12OCCC[C@H]1C2(F)F)c1ccc(N(C)C)cc1 850533745 DZGZXXCMDYJIDR-WQVCFCJDSA-N 310.388 3.218 10 10 DGCE Clc1cnc(SC[C@H]2CC3(CCOCC3)CO2)s1 865371669 GWWCQLJJRCMXCF-SECBINFHSA-N 305.852 3.474 10 10 DGCE C[C@@H]1O[C@H](C)C[C@@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O 868357428 XJQMULFTLTYFSA-FYBVGQRMSA-N 318.200 3.129 10 10 DGCE C[C@H](N[C@@H]1CC[C@@H](C)NC1)c1cccc(C(F)(F)F)c1O 863544765 ANFSPTLHSJOGBE-OUAUKWLOSA-N 302.340 3.202 10 10 DGCE O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1=CCC1 779962853 HFIBFQSEIYUHMC-ZDUSSCGKSA-N 322.355 3.093 10 10 DGCE C[C@@H](CC1CN(C(=O)OC(C)(C)C)C1)Nc1ccc(N)cc1 1959350607 FVKAFUNKBIUYDJ-LBPRGKRZSA-N 305.422 3.326 10 10 DGCE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCc1ccccc1O 277922979 QCHNIMZGXFETEJ-ZFWWWQNUSA-N 320.433 3.127 10 10 DGCE CO[C@H](C)CN(c1ccc(CO)c(Br)c1)C(C)C 688032602 SSTHDDJQIUFVQM-LLVKDONJSA-N 316.239 3.191 10 10 DGCE C[C@@H](NCc1c(O)cccc1Br)c1ccccn1 706855869 YRKHKMPENDEZFL-SNVBAGLBSA-N 307.191 3.401 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(F)nn2)cc1 1131422586 DICBCAACCZHPOP-UHFFFAOYSA-N 310.332 3.276 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)C[C@H]2C=CCCC2)cc1 1130544532 RCWOGWQQQAIOMO-INIZCTEOSA-N 316.445 3.336 10 10 DGCE Cc1cccc(CNCC(C)(C)N(C)C(=O)OC(C)(C)C)c1O 698230962 HDMMELSIHGEPKB-UHFFFAOYSA-N 322.449 3.436 10 10 DGCE NCc1cc(F)c(N2CC(CC3CC3)C2)cc1Br 699555332 WVYSUKSXNQRESG-UHFFFAOYSA-N 313.214 3.283 10 10 DGCE C[C@@H](NCc1nc(-c2ccccc2F)no1)c1ccccc1O 1197003010 FPWPOOXMYXZAAB-LLVKDONJSA-N 313.332 3.432 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CC[C@@H]2[C@@H](C1)C2(F)F 1347500145 XDYMONYUOYYEIO-DAXOMENPSA-N 322.399 3.359 10 10 DGCE [N-]=[N+]=NCCc1c(Br)cncc1Br 1951388376 IMMKQZCVFNXAJZ-UHFFFAOYSA-N 305.961 3.459 10 10 DGCE CNCc1ccc(N(Cc2ccccc2)C(C)(C)CO)cc1C 1915788666 PFZJHICMRYQQOL-UHFFFAOYSA-N 312.457 3.492 10 10 DGCE CCN(c1nnc(C)n1CCCSc1nccs1)C1CC1 1515377603 BZKKODBIULVINN-UHFFFAOYSA-N 323.491 3.214 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@H]2CC2(C)C)cc1 1299241761 BPGXSLIEZDLANH-SFHVURJKSA-N 324.424 3.364 10 10 DGCE CO[C@@H](C(=O)NCc1cc(Cl)ccc1O)c1ccccc1 1452934500 BHXMBGNFIOPANN-OAHLLOKOSA-N 305.761 3.050 10 10 DGCE CCn1ccnc1NC(=O)Cc1cc(C)n(-c2ccccc2)c1C 1451285022 ZWXVORMGCCIWEG-UHFFFAOYSA-N 322.412 3.492 10 10 DGCE Cc1ccncc1/C=C/C(=O)NCc1cccc(Cl)c1O 1606860746 RIGCTKCZSZOPHF-AATRIKPKSA-N 302.761 3.079 10 10 DGCE CC[C@@H](CNC(=O)OC(C)(C)C)N[C@H](C)c1ccccc1O 227724291 FHKOWOWTXCDSFK-OLZOCXBDSA-N 308.422 3.346 10 10 DGCE O=C(NCc1c(O)cccc1F)c1ccccc1OC(F)F 1558455076 NHHADDJAUFRYAS-UHFFFAOYSA-N 311.259 3.063 10 10 DGCE Cc1cc(CN2Cc3ccccc3NC(=O)[C@@H]2C)ccc1N(C)C 1559989572 SSUMMNLAPMCBES-HNNXBMFYSA-N 323.440 3.404 10 10 DGCE O=C(/C=C\c1ccsc1)NCc1ccc2cccnc2c1O 1627072662 DCMLIFMBSLBSPI-UTCJRWHESA-N 310.378 3.332 10 10 DGCE CC(C)(CC[C@H](N)c1ccccc1O)NC(=O)OC(C)(C)C 1928471334 JPBAZEVEKHVFDU-ZDUSSCGKSA-N 308.422 3.476 10 10 DGCE Cc1ccc([C@@H]2C[C@H]2NC(=O)/C=C/c2ccc(O)c(O)c2)cc1 1638820319 WPZCGRZIHXPGAW-NJEVBOHQSA-N 309.365 3.092 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@H]1c1ccc(F)cc1 1641050220 VPGZSMYTRKGXKY-FTPZRKARSA-N 313.328 3.224 10 10 DGCE COc1ccc(CN[C@@H](C)CNC(=O)[C@@H](C)C(C)(C)C)cc1C 1662263155 PTYOCWNIKBOZGN-LSDHHAIUSA-N 320.477 3.280 10 10 DGCE COc1ccc(CN[C@@H](C)CCNC(=O)C2(C)CCC2)cc1C 1674220967 TVJNVALZOKQPNH-HNNXBMFYSA-N 318.461 3.178 10 10 DGCE CC/C=C\Cn1c(CC)nnc1N(C)Cc1ccccc1O 1694997310 OWGFSFWNBRRASZ-TWGQIWQCSA-N 300.406 3.149 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C[C@H](N)c1ccccc1O 1936979097 AHGQQASPCWJNAL-VHDGCEQUSA-N 320.433 3.476 10 10 DGCE Oc1c(Br)cccc1CN1CCCC[C@@H](F)C1 1946967890 MKTFSEPKVWUBSS-LLVKDONJSA-N 302.187 3.479 10 10 DGCE Cc1cc(O)c(CN2CC[C@](CO)(C(F)(F)F)C2)cc1Cl 895837594 OAHPOYPWJYYXRD-ZDUSSCGKSA-N 323.742 3.101 10 10 DGCE C[C@H](CC1CN(C(=O)OC(C)(C)C)C1)[C@H](N)c1ccccc1O 1984136708 CFKNOYARJYEOIA-WBMJQRKESA-N 320.433 3.285 10 10 DGCE CN[C@@H]1CCc2cc(N(Cc3ccccc3)C3COC3)ccc21 1986606381 LXKIVQWREDNBAN-HXUWFJFHSA-N 308.425 3.299 10 10 DGCE C[C@H]1CC(F)(F)CN1Cc1ccc(Br)cc1O 2004636822 GFLXMRIWSQPZDU-QMMMGPOBSA-N 306.150 3.384 10 10 DGCE CN(C)c1ncccc1NCc1cccc(Br)c1O 48796134 YHKOXRRDFZLFPA-UHFFFAOYSA-N 322.206 3.228 10 10 DGCE C[C@]1(NCc2cccc(F)c2O)CCN(Cc2ccccc2)C1 405973317 WDCGUDKLOQOXCS-IBGZPJMESA-N 314.404 3.286 10 10 DGCE CNCc1ccc(N2C[C@H]3C[C@H]2CS3)cc1C(F)(F)F 322008469 RSVAJLZHZTXCFO-NWDGAFQWSA-N 302.365 3.119 10 10 DGCE CCN(Cc1cc(Br)cc(F)c1O)CC(F)F 715770686 KDGVDEXQTDTJFM-UHFFFAOYSA-N 312.129 3.381 10 10 DGCE CN(c1ccc(CO)cc1F)[C@H]1CS[C@H](C(F)(F)F)C1 2189473753 LHGNSLQRUPKARZ-SKDRFNHKSA-N 309.328 3.191 10 10 DGCE C[C@H](O)c1ccc(N2C[C@@H]3C[C@@H]3[C@H]3C[C@@H]32)c(Br)c1 2053731591 XHJXOKOKMADWCO-LBSLZEFRSA-N 308.219 3.347 10 10 DGCE COc1ccc(N2CC[C@H](C(F)(F)F)[C@H](N)C2)cc1Cl 2202997897 BGPKGAWIUHXTNE-GXSJLCMTSA-N 308.731 3.065 10 10 DGCE Brc1nocc1CNCc1ccc2c(c1)CCCO2 2230731965 CBIWIWLOOCRSAM-UHFFFAOYSA-N 323.190 3.052 10 10 DGCE CN(C)c1ccc(OCc2cncc(Br)c2)cc1 2221882744 KUJXURFXVIBVNU-UHFFFAOYSA-N 307.191 3.489 10 10 DGCE NC(=O)c1cnc(Sc2ccc(O)c3ccccc23)s1 2233893320 MYHOTFXSLULZCS-UHFFFAOYSA-N 302.380 3.252 10 10 DGCE Oc1ccc2ccccc2c1CNC1CSCCSC1 2237049011 XLFDSJPNSPZAMB-UHFFFAOYSA-N 305.468 3.484 10 10 DGCE C[C@@H](O)c1ccc(N2CCO[C@H](P(C)(C)=O)C2)cc1Cl 2289324615 ZPBJZTFHDIYRDO-QMTHXVAHSA-N 317.753 3.179 10 10 DGCE Cc1ccc2c(c1)[C@@H](NC(=O)C=Cc1ccc(O)c(O)c1)[C@H](C)C2 2308083254 IPDPTYKAHJUYSC-XCLFUZPHSA-N 323.392 3.469 10 10 DGCE C[C@@H]1CCN(C(=O)C=Cc2cncc(O)c2)c2c(O)cccc21 2309377869 XFACJFDZJRHANN-GFCCVEGCSA-N 310.353 3.046 10 10 DGCE Cc1ccc(Cl)cc1CNC(=O)C=Cc1ccc(O)c(O)c1 2311210371 LYVBYNMHFSJLBJ-UHFFFAOYSA-N 317.772 3.389 10 10 DGCE Cc1ccc(CN(C)Cc2cccn2C)c(O)c1Br 2352664054 MXVSDECAKDFJQB-UHFFFAOYSA-N 323.234 3.434 10 10 DGCE COc1ccc(O)c(CN2CCO[C@@H](c3cccs3)C2)c1 179887905 XPYXNFIBEVYSSY-OAHLLOKOSA-N 305.399 3.036 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H](N)c1cccc(C(C)(C)C)c1O 309846401 YIQRNBIXJFKYRU-CYBMUJFWSA-N 308.422 3.214 10 10 DGCE COc1cccc(/N=N\c2c(C(=O)O)nc3c(O)cccn23)c1 71602019 XVESVEGZZVLQTE-ZCXUNETKSA-N 312.285 3.162 10 10 DGCE CCCN(c1ccc(N)cc1)S(=O)(=O)CCCC(F)(F)F 212032552 JLXMVVKXMNMXQO-UHFFFAOYSA-N 324.368 3.158 10 10 DGCE C[C@H]1CO[C@H](C)CN1c1ccc([C@@H](C)N)c(Br)c1 235222055 XIOLPUGYDAZPHK-HBNTYKKESA-N 313.239 3.082 10 10 DGCE C[C@H](N)c1ccc(N2C[C@@H](C)OC[C@@H]2C)cc1Br 235514141 XIOLPUGYDAZPHK-AXFHLTTASA-N 313.239 3.082 10 10 DGCE COc1ccc(N2CCN(C(=O)C(C)(C)C)CC2)cc1Cl 240621767 ACHMIRORGIUBSE-UHFFFAOYSA-N 310.825 3.043 10 10 DGCE COc1ccc(NC(=S)Nc2ccc(N)cc2)cc1OC 242702129 CZDTZIPZARKPLT-UHFFFAOYSA-N 303.387 3.095 10 10 DGCE CCOc1ccc(CCC(=O)Nc2ccc(N)cc2)cc1OC 244205633 VRFWWAOOQJDOAV-UHFFFAOYSA-N 314.385 3.247 10 10 DGCE CCCOc1ccc(CN2CC[C@H]3OCCC[C@H]3C2)c(O)c1 245707349 FGWCLHMTEHWYBV-MAUKXSAKSA-N 305.418 3.182 10 10 DGCE CCCC[C@@]1(C)CN([C@H](C)CN)c2cc(OC)c(OC)cc2N1 606610966 SQWSGYKYKOMMDG-ACJLOTCBSA-N 321.465 3.232 10 10 DGCE Cc1ccc(C(=O)N2CC[C@@](F)(c3ccccc3)C2)c(O)c1O 377120148 MLGYJWFZQZLFQX-SFHVURJKSA-N 315.344 3.117 10 10 DGCE COCC1(CCNCc2cc(Cl)c(F)cc2O)CCC1 293575870 HHQXRRZFWSLUQD-UHFFFAOYSA-N 301.789 3.481 10 10 DGCE Oc1c(Cl)cccc1CN[C@@H]1COc2ccc(F)cc2C1 809791965 CWJXDLMMLBOAGL-ZDUSSCGKSA-N 307.752 3.278 10 10 DGCE CCC[C@@H](C)C(=O)NCc1cc(Br)ccc1O 804736384 UQLAKZNAETTXSE-SECBINFHSA-N 300.196 3.207 10 10 DGCE C[C@H](NC[C@H]1CC12CCSCC2)c1cc([N+](=O)[O-])ccc1O 817589215 MGWIFUDGPBCRGK-NWDGAFQWSA-N 322.430 3.484 10 10 DGCE Cn1nccc1[C@@H]1CCCN1Cc1cc2c(cc1O)CCCC2 905734054 BDEIKDFEPBDPOD-SFHVURJKSA-N 311.429 3.342 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@]2(CO)CCc3ccccc32)cc1 835042315 SNXMADHFDIIQPX-RMUOZIPVSA-N 322.452 3.189 10 10 DGCE CCNCC1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 843055765 OTLWLGUXDXZUAN-WAYWQWQTSA-N 301.478 3.087 10 10 DGCE Cc1csc([C@H](C)N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)n1 756537104 VWKCQFGJZKYOAV-UWVGGRQHSA-N 307.375 3.477 10 10 DGCE Cc1nn(C)c(C)c1C[C@@H](C)N[C@@H](C)c1cc(F)cc(F)c1O 756615984 YABBQIFONDJEIR-ZJUUUORDSA-N 323.387 3.303 10 10 DGCE Cc1cc(O)c(CN[C@@H]2CCC[C@@H]([S@](C)=O)C2)c(Cl)c1 850354825 BBZRFHFCORIAGZ-HTGLOVNISA-N 315.866 3.133 10 10 DGCE CCCN(CCC)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 852452815 GRJPMHNWIGKFRO-HNNXBMFYSA-N 319.449 3.106 10 10 DGCE Cc1cc(CN2CC[C@@H]3COC[C@@H]3C2)ccc1N1CCCCC1 852663949 AIDAJEUNJDKQQZ-MOPGFXCFSA-N 314.473 3.454 10 10 DGCE CCN(CC)c1ccc(CN2CC[C@H]3CC[C@@H](C2)[S@]3=O)cc1 862526797 DSVPFOXUEAOYDY-FGSXEWAUSA-N 320.502 3.018 10 10 DGCE Cc1cc2c(cc1C)[C@H](C(=O)N1Cc3cccc(O)c3C1)CO2 871204409 HZPGODYRRFKGPW-MRXNPFEDSA-N 309.365 3.027 10 10 DGCE COCCN(Cc1cc(C(C)C)c(C)cc1O)[C@@H]1CCOC1 782964400 VCIGTYSAHADTAJ-MRXNPFEDSA-N 307.434 3.061 10 10 DGCE CN1C[C@H](N(C)c2ccccc2)c2c(Cl)cccc2[C@@H]1CN 82805189 KSGRKYPHTUCUGB-IRXDYDNUSA-N 315.848 3.463 10 10 DGCE CCN(CC)c1ccc(CN(C)C[C@@H](O)CC(F)(F)F)cc1 787151681 JIVKOUFLNCHYEO-HNNXBMFYSA-N 318.383 3.278 10 10 DGCE c1cc(CNCCCSc2nccs2)c2c(c1)OCCO2 1200691969 JSBYYPLBLBYIEB-UHFFFAOYSA-N 322.455 3.186 10 10 DGCE C[C@H]1[C@@H](NCc2cccc(F)c2O)CCN1C(=O)OC(C)(C)C 704615929 KQTZPBVVNHEERV-FZMZJTMJSA-N 324.396 3.019 10 10 DGCE C[C@@H](NCc1ccc(Br)cc1O)c1ccncc1 691449152 HWZLYCMFACBSFM-SNVBAGLBSA-N 307.191 3.401 10 10 DGCE O=C1NC(=S)N/C1=C\c1cc(N=Nc2ccccc2)ccc1O 1084609217 FRGSLDHILMIQGB-DSTUGVOXSA-N 324.365 3.153 10 10 DGCE COc1ccc(CNC(=O)c2cscc2C(F)F)c(O)c1 1155575872 ZRLKCIYYJNEPGV-UHFFFAOYSA-N 313.325 3.330 10 10 DGCE CCCCC[C@H](O)C(=O)NCc1c(O)ccc2ccccc12 1179033553 YFXGVNDECKHODN-KRWDZBQOSA-N 301.386 3.103 10 10 DGCE Cc1ccc(O)c(CNC(=O)NCc2ccc(Cl)cc2F)c1 1312556956 QWTHPPNLWGTDAU-UHFFFAOYSA-N 322.767 3.493 10 10 DGCE CCN(CCN=[N+]=[N-])Cc1nc(Br)sc1C 1900610362 ZKTGNTAMEZWCSU-UHFFFAOYSA-N 304.217 3.346 10 10 DGCE Cc1cncc(/C=C\C(=O)NCc2cccc(Cl)c2O)c1 1180410834 RJNWGILQBPGCLB-WAYWQWQTSA-N 302.761 3.079 10 10 DGCE CNCc1ccc(N(Cc2ccccc2)[C@H](CO)C(C)C)cc1 1915276104 LHEFXBJTCAIHDO-HXUWFJFHSA-N 312.457 3.430 10 10 DGCE C/C=C/[C@H](O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 1442442994 BKNAIVDWQIHHET-JGIVAVPZSA-N 316.445 3.009 10 10 DGCE Cc1cc(CC(=O)Nc2ccc(F)nn2)c(C)n1-c1ccccc1 1532770735 VDGZPMOKPYDADM-UHFFFAOYSA-N 324.359 3.204 10 10 DGCE C[C@@H](NC(=O)c1cccc(OC(C)(C)C)n1)c1ccccc1O 1471195084 BFKWHXIMRHIUCV-GFCCVEGCSA-N 314.385 3.456 10 10 DGCE C[C@H](CF)N(C)c1ccc(C=CC(=O)O)c(Br)c1 2257912086 IVMPKTCYWMSETM-SECBINFHSA-N 316.170 3.341 10 10 DGCE O=C(NCCC1(c2ccccc2)CC1)c1c(F)ccc(O)c1O 1639075642 SZMLFDUQYAVORT-UHFFFAOYSA-N 315.344 3.089 10 10 DGCE C[C@H](NC(=O)c1cnn2cccc(Cl)c12)c1ccccc1O 1635803597 HCOCLOAHALGZLL-JTQLQIEISA-N 315.760 3.184 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2CCCN(CCCN=[N+]=[N-])[C@@H]2C1 1962303893 JOUAWSDXHLLCEU-QWHCGFSZSA-N 309.414 3.018 10 10 DGCE Nc1ccc(CCNC(=O)/C=C/c2cccc3cccnc23)cc1 152483858 TYRBRIYGOCLFLV-DHZHZOJOSA-N 317.392 3.189 10 10 DGCE CCN[C@@H](c1ccccc1O)[C@H](NC(=O)OC(C)(C)C)C1CC1 1936973135 FHUUMYLPBPDWIM-CVEARBPZSA-N 320.433 3.346 10 10 DGCE COC(=O)C1CCN(/N=N/c2ccccc2OC(C)C)CC1 1860485265 AFYNUBHLNBSUPP-ISLYRVAYSA-N 305.378 3.358 10 10 DGCE CCC1=NN(Cc2ccc(F)cc2)C(=O)/C1=C/c1cccnc1 1865673213 WIUQZLXIGYOSGJ-MHWRWJLKSA-N 309.344 3.413 10 10 DGCE CCc1ccccc1NC(=O)CCNCc1cc(C)ccc1O 1857853357 VUMXOGGLQPHENP-UHFFFAOYSA-N 312.413 3.381 10 10 DGCE CC[C@@H]1C[C@H]([C@H](N)c2ccccc2O)N(C(=O)OC(C)(C)C)C1 1894361193 UHMCFFCJNQSURQ-XNRPHZJLSA-N 320.433 3.428 10 10 DGCE C[C@@H]1CCN(c2ccc(CO)cc2Br)C[C@@H]1F 1946883669 XIEQFRIQOSMFGR-SKDRFNHKSA-N 302.187 3.126 10 10 DGCE CN(Cc1cc(Cl)cc(Cl)c1O)[C@@H]1CCC[C@H]1CN 249957798 CLCYEPALZMBLSW-TVQRCGJNSA-N 303.233 3.258 10 10 DGCE C[C@@H]1C[C@H](CNCc2ccc(N)cc2)CN1C(=O)OC(C)(C)C 1976796827 RRPCUKRMMXIMTN-UKRRQHHQSA-N 319.449 3.004 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2CN(CCCCN=[N+]=[N-])C[C@@]2(C)C1 1982240164 BBULLNGPQNYSDY-BBRMVZONSA-N 323.441 3.266 10 10 DGCE Oc1ccc(Br)cc1CNC[C@H]1C[C@H]1C(F)F 1997383466 NZEFBWLLLZNQHS-GMSGAONNSA-N 306.150 3.146 10 10 DGCE C[C@H]1COCC[C@H]1N(C)Cc1cc(Br)ccc1O 2031921165 SDCHKPJUFUTQGI-GXFFZTMASA-N 314.223 3.012 10 10 DGCE C[C@@H]1OCCN(c2ccc([C@@H](C)N)c(Br)c2)[C@@H]1C 380487192 ADLGHSYRYLDCPS-MXWKQRLJSA-N 313.239 3.082 10 10 DGCE COc1ccc(O)c([C@H](C)n2nc(C3CCC3)cc2C=O)c1 2070003351 RRNJXKGDIIZILW-NSHDSACASA-N 300.358 3.287 10 10 DGCE CSc1cnn(Cc2cc(F)ccc2O)c1Br 2070245452 DZMABCHCOZWYRS-UHFFFAOYSA-N 317.183 3.261 10 10 DGCE CCOC(=O)c1cnn([C@H](C)c2ccc(C)cc2O)c1Cl 2070386851 WFECFMPDBVNVNJ-SNVBAGLBSA-N 308.765 3.337 10 10 DGCE CCc1c(C2(C)CC2)nn(Cc2cccc(Cl)c2O)c1N 2079807110 YXZVVYUIWRGVEK-UHFFFAOYSA-N 305.809 3.487 10 10 DGCE COc1ccc([C@@H](C2CC2)n2nc(C)c(CO)c2Cl)c(O)c1 2079972375 UKRYWSFQLKWIGK-OAHLLOKOSA-N 322.792 3.051 10 10 DGCE CC[C@H](O)CN(CC)c1ccc([C@H](C)O)cc1Br 2044542995 DXNBQDDBLGWRHT-JQWIXIFHSA-N 316.239 3.100 10 10 DGCE CC[C@H](COC)N(C)c1ccc(CNC)cc1Br 2047305900 FFRMIVKETJOONA-GFCCVEGCSA-N 315.255 3.030 10 10 DGCE CN(C)c1ccc([C@H](O)c2ccc(N)cc2Br)cc1 2106791757 VXTUCKCYXQINLK-HNNXBMFYSA-N 321.218 3.179 10 10 DGCE CN[C@@H](c1ccc2c(c1)CCN2C)c1ccc(Br)o1 2106855614 PYLZYUOUDNVIGA-HNNXBMFYSA-N 321.218 3.343 10 10 DGCE CN(C)C[C@H]1C[C@@H](NCc2cc(Cl)cc(Cl)c2O)C1 2109564484 FIEQQOBQTDXNEG-WVSHTKLVSA-N 303.233 3.129 10 10 DGCE COc1ccc(N2CC[C@@H](C(F)(F)F)[C@@H](N)C2)cc1Cl 2202997898 BGPKGAWIUHXTNE-KOLCDFICSA-N 308.731 3.065 10 10 DGCE COc1ccc(N2CCN[C@@H](C)[C@H]2C(F)(F)F)cc1Cl 2202997274 JBACUNBXKARCGO-UFBFGSQYSA-N 308.731 3.078 10 10 DGCE COc1cccc(OC)c1CNCc1cnc(SC)s1 2208433850 JOBSESVLJRJLTR-UHFFFAOYSA-N 310.444 3.172 10 10 DGCE COc1ncc(Cl)cc1CNCc1cccc(Cl)c1O 2232911987 JQFPYWBMKMSQAH-UHFFFAOYSA-N 313.184 3.392 10 10 DGCE CN(Cc1cc(Cl)ccc1O)C[C@@H](F)C1CCOCC1 2238364840 MYGVTLIZNSQVEH-CQSZACIVSA-N 301.789 3.242 10 10 DGCE CCCc1nc(Sc2ncc(CN[C@H](C)CC)s2)n[nH]1 2240000390 MLQRZMXCSUWCCR-SECBINFHSA-N 311.480 3.253 10 10 DGCE Cc1cc(N2C[C@H]3C[C@H]2CN3Cc2ccccc2)ccc1[C@@H](C)N 2248955571 XMSHEVOPOXOZQE-AHRSYUTCSA-N 321.468 3.478 10 10 DGCE CCCNCc1cnc(Sc2nc3nccnc3s2)s1 2283823463 LTBCNBHXCYJJIE-UHFFFAOYSA-N 323.472 3.194 10 10 DGCE COc1c([C@@H](O)c2ccc3c(c2)CCN3C)csc1Cl 2284199042 YJJJEDQSLAZIPM-ZDUSSCGKSA-N 309.818 3.484 10 10 DGCE COC[C@]1(F)CCN([C@H](C)c2cc(Cl)c(C)cc2O)C1 2286458858 RATBBDXXYIHYRG-ABAIWWIYSA-N 301.789 3.475 10 10 DGCE [N-]=[N+]=NCCOc1c(F)cc(Br)cc1[N+](=O)[O-] 2301111903 WFJKSSXLVLCFSX-UHFFFAOYSA-N 305.063 3.186 10 10 DGCE Cn1ccc2ccc([C@H]3[C@H](N)CCN3C(=O)OC(C)(C)C)cc21 1952324583 ONTJNVKGMMSNTH-ZBFHGGJFSA-N 315.417 3.188 10 10 DGCE CCCOc1ccc(CNCC2(O)CCCCCC2)c(O)c1 117947223 JMKFOCCTKZYAPW-UHFFFAOYSA-N 307.434 3.356 10 10 DGCE O=C(/C=C/c1cccc2cccnc12)N1CCc2cnccc21 118637377 RKLOIFSWHMJRSY-VOTSOKGWSA-N 301.349 3.232 10 10 DGCE COC(=O)/C=C/c1ccc(N2[C@@H](C)CC[C@H]2C)c([N+](=O)[O-])c1 301635635 WJJNAPTWTXRZHX-SBDFBNMLSA-N 304.346 3.158 10 10 DGCE CC(=O)CCC(C)(C)C(=O)NCc1c(O)ccc2c1CCCC2 121155150 LMUANISCMNBSGJ-UHFFFAOYSA-N 317.429 3.283 10 10 DGCE Cc1cc(O)c([C@H]2[C@@H](N)CCCN2C(=O)OC(C)(C)C)cc1C 1953043509 GJAHDVFXDBNXSZ-HOCLYGCPSA-N 320.433 3.408 10 10 DGCE COc1ccc(N2CCC(NCCCCSC)CC2)cc1 133646354 WFDZZAAVCVKONP-UHFFFAOYSA-N 308.491 3.397 10 10 DGCE Cc1ccc(NCc2ccc(O)c(O)c2O)c(Br)c1 226749113 NLCFRPNUADKWPL-UHFFFAOYSA-N 324.174 3.486 10 10 DGCE COc1ccc(O)c(CNc2cc(OC)cc(F)c2[N+](=O)[O-])c1 92654520 FHCOPTJKVCRJNI-UHFFFAOYSA-N 322.292 3.069 10 10 DGCE C[S@](=O)c1ccc(CNCc2cccc(Cl)c2O)cc1 809793580 HIAPGQHWHMBUGO-FQEVSTJZSA-N 309.818 3.073 10 10 DGCE CC(=O)N1CCCN(Cc2cccc(F)c2O)c2ccccc21 809785769 BDZBFYWPXONUJZ-UHFFFAOYSA-N 314.360 3.295 10 10 DGCE C[C@H](Cc1ccsc1)N(C)C(=O)/C=C\c1ccc(O)c(O)c1 588406948 UIEYUFXCRTWGAV-TXNVCOODSA-N 317.410 3.262 10 10 DGCE CN(C)C[C@H](Cc1ccccc1)N[C@H]1CCc2cccc(O)c21 834527092 VEGFWCBHRTYRSW-ROUUACIJSA-N 310.441 3.142 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)[C@@H](OC)C2CCCCC2)c1 830540824 NXJDMLBCJMDCNS-SJCJKPOMSA-N 321.417 3.173 10 10 DGCE C[C@H](NC(=O)NCc1ccccc1O)C1CCC(F)(F)CC1 847303135 USGQDPWXADRYOF-NSHDSACASA-N 312.360 3.405 10 10 DGCE Cc1cc(O)c(CNC[C@@H](O)c2cccc(F)c2)c(Cl)c1 840886463 XBKORRDAYPGVTF-MRXNPFEDSA-N 309.768 3.316 10 10 DGCE CCc1cccc(F)c1CNC[C@@H](N)c1ccc(N(C)C)cc1 841042044 JNOMCABHWXCSBL-LJQANCHMSA-N 315.436 3.244 10 10 DGCE Cc1cc(Cl)cc(CNCCCNCc2cccnc2)c1O 841043383 VHVFIEWQQXLBOE-UHFFFAOYSA-N 319.836 3.019 10 10 DGCE c1cc(N2CCOCC2)ccc1CNC[C@@]12CCCC[C@H]1C2 922425738 GJYPLUBHBFHKOZ-HKUYNNGSSA-N 300.446 3.193 10 10 DGCE O=C(NCC1C[C@@H]2CC[C@H](C1)S2)N1Cc2cccc(O)c2C1 924325398 GOVJBZLUVCTUOC-QXMXGUDHSA-N 318.442 3.092 10 10 DGCE COCCN(C[C@H]1C[C@@H]2C[C@@H]2C1)c1ccc(OC)c(OC)c1 851846751 HAPMVIKYGPWHTO-QDMKHBRRSA-N 305.418 3.203 10 10 DGCE CC[C@H](N[C@@H]1[C@H]2C[C@@H]3CO[C@@H]1[C@H]3C2)c1ccc(N(C)C)cc1 866444495 INNONJYATOSIDZ-GDJIKERASA-N 300.446 3.217 10 10 DGCE Cc1nnccc1NC(=O)c1ccc(-n2c(C)ccc2C)cc1 779470026 NKNMEVCQIGEXBW-UHFFFAOYSA-N 306.369 3.445 10 10 DGCE Cc1ccc(C(=O)CCC(=O)N2Cc3cccc(O)c3C2)s1 871199938 WHQCQSQZDZQBSH-UHFFFAOYSA-N 315.394 3.267 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@H]3C[C@H]2[C@@H]2C[C@@H]32)cc1 1125235825 VEBPYVACHRREJC-QFACEVIFSA-N 312.457 3.441 10 10 DGCE C[C@H](CNCc1cccc(F)c1O)N(C)Cc1ccccc1 390577501 XKRDTLWTLWMHIP-CQSZACIVSA-N 302.393 3.141 10 10 DGCE O=C(NCc1cccc(Cl)c1O)N[C@@H]1CCCC[C@H]1F 895369625 CEYLVJVGAFXJBP-VXGBXAGGSA-N 300.761 3.126 10 10 DGCE O=S(=O)(Nc1nc(-c2ccc(F)cc2)cs1)c1ccoc1 795544866 GGCUZHBLEQITDW-UHFFFAOYSA-N 324.358 3.343 10 10 DGCE C[C@@H](N)c1ccc(N(C)CC2CSC2)c(Br)c1 718265150 DZZXGRYHPSYNEV-SECBINFHSA-N 315.280 3.268 10 10 DGCE CC(C)(C)N1CC[C@H](Nc2c(N)cccc2Br)C1 697461947 PSZCMBYMULMKAR-JTQLQIEISA-N 312.255 3.316 10 10 DGCE Cc1cc(C(=O)NCc2c(O)ccc3ccccc23)cnc1F 1157041849 QESMMPPGGZGXDL-UHFFFAOYSA-N 310.328 3.318 10 10 DGCE Cc1nccn1[C@@H](C)CNCc1c(O)cccc1Br 2129520473 YPPLHLGAXOTXRK-JTQLQIEISA-N 324.222 3.010 10 10 DGCE Cc1ccccc1COCC(=O)NCc1cc(Cl)ccc1O 1452934747 DKKLTLGKJQJWDK-UHFFFAOYSA-N 319.788 3.187 10 10 DGCE CCn1cccc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 1520773619 VLPUWKIXEQFXFR-UHFFFAOYSA-N 311.429 3.379 10 10 DGCE C/C(=C/c1cccnc1)C(=O)N1CCOc2c(F)ccc(F)c21 1531417401 UQXMVNGWRFKCLQ-LUAWRHEFSA-N 316.307 3.189 10 10 DGCE COc1ccc(NC(=O)OC(C)(C)C)c([C@@H](CO)N=[N+]=[N-])c1 1535988468 YLIQTHYBCKLGRC-GFCCVEGCSA-N 308.338 3.386 10 10 DGCE Cc1cc([C@@H](C)NC(=O)c2c(F)ccc(O)c2O)ccc1F 1472567865 QKGWYAIBNZOSCQ-SECBINFHSA-N 307.296 3.175 10 10 DGCE Clc1ccc(NN=NCCN2CCOCC2)c(Cl)c1 1860494328 BEZTWNHJWVGGJI-UHFFFAOYSA-N 303.193 3.105 10 10 DGCE CCOc1ccc(N(CC)Cc2cccnc2[N+](=O)[O-])cc1 1559634862 BNFQVHDHDUTOFI-UHFFFAOYSA-N 301.346 3.415 10 10 DGCE CC(C)CC1(CNC(=O)Cc2ccc(O)c(O)c2)CCCC1 1566299670 RQGBIEFAZILITK-UHFFFAOYSA-N 305.418 3.363 10 10 DGCE O=C(NCc1c(O)cccc1F)c1csc(-c2ccco2)n1 1638862595 CKNHKTCVWUSFBH-UHFFFAOYSA-N 318.329 3.178 10 10 DGCE Cc1noc(C(F)F)c1C(=O)NCc1cccc(Cl)c1O 1648606298 MVGJYFWYYUGYCS-UHFFFAOYSA-N 316.691 3.210 10 10 DGCE Cc1nc2c(C(=O)NCc3cc(Cl)ccc3O)cccc2o1 1640919795 BGUMEGSGQFSFSA-UHFFFAOYSA-N 316.744 3.425 10 10 DGCE C[C@H](c1ccccc1O)N(C)C(=O)c1cc(N)cc(Cl)c1 165682292 SWSZMWWDKHOCQE-SNVBAGLBSA-N 304.777 3.461 10 10 DGCE COCCOC(=O)CCn1c2c(c3ccccc31)CCCC2 1849730609 LWEUKWNGEZFYKB-UHFFFAOYSA-N 301.386 3.100 10 10 DGCE CCCC1=NN(c2ccccn2)C(=O)/C1=C/c1ccccc1O 1865677287 BGMZGRKLAPFZBN-WYMLVPIESA-N 307.353 3.374 10 10 DGCE CCCN[C@@](CO)(CSc1nccs1)C[C@H](C)CC 2142625807 AXOCUAOROACLMD-OCCSQVGLSA-N 302.509 3.402 10 10 DGCE COc1ccc(Br)c(CN[C@@H]2C=CCCC2)c1O 1964041316 ACULEBHMCKHJKE-SNVBAGLBSA-N 312.207 3.362 10 10 DGCE COc1ccc(Br)c(CNC(C)(C)C(F)F)c1O 1964062125 RHMRMKKEJIAUSO-UHFFFAOYSA-N 324.165 3.297 10 10 DGCE COCCC1CC(NCc2cccc(Br)c2O)C1 1967721846 ANXIQZRTGRLBKK-UHFFFAOYSA-N 314.223 3.059 10 10 DGCE [N-]=[N+]=NCCNC(=O)c1cc(F)c(Br)cc1Cl 1971514885 UVUUHJXUKSJCAV-UHFFFAOYSA-N 321.537 3.282 10 10 DGCE CC(C)(C)OC(=O)N[C@@H](CC1CCC1)[C@H](N)c1ccccc1O 1986006590 QNOOKRVIAIULPE-GOEBONIOSA-N 320.433 3.476 10 10 DGCE CC[C@H](COC(F)F)Nc1c(N)cccc1Br 2014144521 UYJDGDGPPXKBQX-SSDOTTSWSA-N 309.154 3.461 10 10 DGCE CN1CCc2cc([C@@H](N)[C@@H]3CCN(Cc4ccccc4)C3)ccc21 2015162530 SEBZJKGHRDQOMH-TZIWHRDSSA-N 321.468 3.201 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C[C@]2(Br)CC2(F)F)CC1 2023775832 LUGWRTNZXMVISQ-DTWKUNHWSA-N 309.158 3.324 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN(Cc2cc(Br)sn2)C1 2024816742 RCELIJZMEQJPKI-QMMMGPOBSA-N 316.228 3.428 10 10 DGCE CCOC1CC(CNCc2ccc(Br)cc2O)C1 2029084894 PQGZGLGDNXZNFN-UHFFFAOYSA-N 314.223 3.059 10 10 DGCE COC(=O)c1cnc(Oc2ccc(N)cc2)c(Br)c1 311743753 BPNYEFZIFOWGPN-UHFFFAOYSA-N 323.146 3.005 10 10 DGCE NCc1cc(F)c(N(CCO)C2CCCCC2)cc1Cl 2177384658 BTDQUNAMBCZJFR-UHFFFAOYSA-N 300.805 3.069 10 10 DGCE CCN(C(=O)/C=C/c1cnc2ccccc2n1)c1cccnc1 104400291 GYICAJONVILPHD-MDZDMXLPSA-N 304.353 3.091 10 10 DGCE CN(c1ccc(CN)cc1Cl)C1CSCCSC1 2221349090 GZOBFOOVOVPSOG-UHFFFAOYSA-N 302.896 3.084 10 10 DGCE CCNCc1ccc(N2CC[C@H](OC(F)F)C2)cc1Cl 2239221040 NIHBSSQBBWHMQV-LBPRGKRZSA-N 304.768 3.267 10 10 DGCE CSc1ncc(CNC[C@@H]2CC[C@H]3CCCC[C@@H]3N2)s1 2284716661 ZXHIRAHTSJGNOO-DYEKYZERSA-N 311.520 3.265 10 10 DGCE CC(C)N1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)SC1=S 2296664662 VQHJLVXOYOBUFS-UHFFFAOYSA-N 308.384 3.204 10 10 DGCE COc1cccc([C@@H]2C[C@H]2C(=O)N(C)Cc2ccccc2O)c1 106907992 QSIPNDKPQZWGEQ-DLBZAZTESA-N 311.381 3.163 10 10 DGCE CC(C)(C)c1nnsc1CNCc1cccc(Cl)c1O 2360881201 ZYBZUDUIXBCPOB-UHFFFAOYSA-N 311.838 3.484 10 10 DGCE Cc1ccc(O)c(NC2=NC(=O)/C(=C\c3cccn3C)S2)c1 39869654 NADLHAZMGXVJLO-NTEUORMPSA-N 313.382 3.122 10 10 DGCE COc1ccc(O)c([C@@H](C)N[C@@H]2CCN(CC3CCCC3)C2)c1 185595060 XNKKVKHSKIAAIL-GDBMZVCRSA-N 318.461 3.316 10 10 DGCE COc1cc(C)cc(CN(C)C[C@H](C)c2nccs2)c1O 182851333 JJFNECAYMJOHEP-LBPRGKRZSA-N 306.431 3.401 10 10 DGCE C[C@@H](N)c1ccc(N2CCSC[C@H]2C)cc1Br 235219631 QGDLCXKTCZKRJN-NXEZZACHSA-N 315.280 3.411 10 10 DGCE CC(C)N[C@](CO)(CSc1nccs1)[C@H]1CC12CCC2 2371154819 PZVZMASJOPMUDB-SWLSCSKDSA-N 312.504 3.155 10 10 DGCE C[C@@H](N[C@@H](CC(=O)O)c1cccs1)c1cc(F)ccc1O 94617428 WCCAJJUGQJQNOB-SKDRFNHKSA-N 309.362 3.459 10 10 DGCE CCN(Cc1c(Br)ccc(OC)c1O)C(C)C 1231548224 QCMBKTODZXJQJC-UHFFFAOYSA-N 302.212 3.394 10 10 DGCE COc1ccc(O)c(CNC(=O)C/C=C\c2cccc(F)c2)c1 255230405 QUHPLIZOJDBIES-HYXAFXHYSA-N 315.344 3.260 10 10 DGCE COc1ccc(O)c(CN2CCC(c3ccc(O)cc3)CC2)c1 271772669 FOOPHSVIFGUZCU-UHFFFAOYSA-N 313.397 3.486 10 10 DGCE COc1ccccc1CN(CCO)Cc1cccc(Cl)c1O 271710612 GVKGSKMVEFZQNH-UHFFFAOYSA-N 321.804 3.049 10 10 DGCE O=C(NCc1cccc(Br)c1O)[C@@H]1[C@H]2CCCC[C@H]21 277565782 PYIPVPBYCKDEPG-PJXYFTJBSA-N 324.218 3.207 10 10 DGCE COc1cc(NS(=O)(=O)c2ccc(C(C)C)cc2)ccc1O 280573924 LYSXOXMAXLEUDV-UHFFFAOYSA-N 321.398 3.325 10 10 DGCE CO[C@@H](C)[C@@H](C)NCc1ccc(OCc2ccccc2)cc1O 290841384 IHMFFYXGLYTTHS-CABCVRRESA-N 315.413 3.484 10 10 DGCE Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N(C)Cc1ccccc1O 391967185 SPWMUDQBPQVILR-UHFFFAOYSA-N 318.304 3.020 10 10 DGCE CCN1CC[C@@H](N(C)Cc2cc(Cl)c(F)cc2O)[C@@H](C)C1 816514726 FXVVOTZUBYVTHP-XHDPSFHLSA-N 314.832 3.347 10 10 DGCE Cc1cccc(-n2c(C)cc(C(=O)N3[C@H]4COC[C@H]3C4)c2C)c1 819733388 LADKRWINCIMZLK-IAGOWNOFSA-N 310.397 3.016 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCC[C@]2(C)CCCO)cc1 835053134 KUAVSMKNGCXIJC-ZLHKHBAESA-N 302.462 3.393 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1C[C@H](COc2ccc(N)cc2)[C@H]2C[C@H]21 1897329997 PLWSSTUVNGNQJM-RAEVTNRLSA-N 318.417 3.197 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCC[C@H]([C@H]3CCCN3)C2)cc1 843044012 FYGKEOANWVZRNV-JBJGNSMKSA-N 313.489 3.230 10 10 DGCE Cc1cc(N(C)C)ccc1CNCCCc1c(C)nn(C)c1C 840936281 IFSCUMDYWXJRME-UHFFFAOYSA-N 314.477 3.134 10 10 DGCE O=C(NCc1c(O)cccc1F)[C@H]1SCCc2sccc21 928705486 KNHFKRAXZWFFBI-AWEZNQCLSA-N 323.414 3.240 10 10 DGCE Cc1cc(CN2C[C@@H]3COC[C@@]3(C)C2)ccc1N1CCCCC1 852536478 VAQPZZFUQVHIAS-UYAOXDASSA-N 314.473 3.454 10 10 DGCE C[C@@H](NC(=O)NCC[C@@H]1CCSC1)c1ccc(N(C)C)cc1 868515955 XRFBOJOGRYYZCK-ZIAGYGMSSA-N 321.490 3.256 10 10 DGCE Cc1ccc([C@H](C)NC[C@@H]2CC3(CCOCC3)CO2)c(O)c1C 866533747 VBCFZRSAMGITCI-HOTGVXAUSA-N 319.445 3.245 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC(C2CC2)C1 861788118 ZFBGLEJQDKLROO-UHFFFAOYSA-N 322.408 3.389 10 10 DGCE C[C@@H](c1cc(F)ccc1O)N(Cc1ccccc1)C1CNC1 1958647962 DLNURCCHDYPVCK-ZDUSSCGKSA-N 300.377 3.066 10 10 DGCE CN(Cc1ccccc1O)Cc1cncn1Cc1ccccc1 782513502 RFVSFYCJVLJGNT-UHFFFAOYSA-N 307.397 3.269 10 10 DGCE CN(C)c1ccc(CN(C(=O)N[C@H]2[C@H]3CCC[C@H]32)C2CC2)cc1 787402269 UJOFZURMROKKSI-BCDXTJNWSA-N 313.445 3.225 10 10 DGCE C[C@H](N)c1ccc(N2CCC(F)CC2)c(Br)c1 689408974 SHPAVAQMRHEPIR-VIFPVBQESA-N 301.203 3.407 10 10 DGCE CC[C@](C)(CNC(=O)OC(C)(C)C)N(C)c1ccc(N)cc1 1959561375 WUJFHASNTFYPPM-QGZVFWFLSA-N 307.438 3.398 10 10 DGCE C[C@H]1C[C@H](N(C)Cc2c(O)cccc2Br)CCO1 721484345 XUDGEEQBDJUXON-WDEREUQCSA-N 314.223 3.154 10 10 DGCE CO[C@H]1CC[C@H](C)N(Cc2cc(Br)ccc2O)C1 687214820 ASVPLSNAARPUDW-GWCFXTLKSA-N 314.223 3.154 10 10 DGCE C[C@H](NC(=O)/C=C/c1ccc(Cl)nc1)c1ccccc1O 1151900262 NJOWNHLIRBBHSV-DJYGCBNOSA-N 302.761 3.331 10 10 DGCE c1nc(C2CC2)ncc1CCNCc1ccc(N2CCCC2)cc1 1337277688 BIXSCKQLWYFWBG-UHFFFAOYSA-N 322.456 3.287 10 10 DGCE CC12CC(CN1c1nnc(-c3sccc3O)n1CC1CC1)C2 1263681394 MFNTZFVZTSFFNV-UHFFFAOYSA-N 316.430 3.111 10 10 DGCE Nc1ccc(NC(=O)[C@@H]2CCc3[nH]c4ccccc4c3C2)cc1 212486592 TUYGWIIAPFWZEO-GFCCVEGCSA-N 305.381 3.494 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)[C@@H](C)C2CCCC2)cc1 1461333264 BMVAYVPMSBQJBP-HNNXBMFYSA-N 318.461 3.416 10 10 DGCE COC[C@@H](C)CNC(=O)c1cc(C)ccc1-n1c(C)ccc1C 1542402967 FHUGEYLCTVUJRL-AWEZNQCLSA-N 314.429 3.415 10 10 DGCE CCOc1ccc(N(CC)C(=O)c2cccc(O)c2O)cc1 1543404583 MVIAGHBNBNDUEJ-UHFFFAOYSA-N 301.342 3.163 10 10 DGCE CN(CCCC(=O)OC(C)(C)C)Cc1ccc(N(C)C)cc1 1620644499 NGFNNPBVQYDGQO-UHFFFAOYSA-N 306.450 3.306 10 10 DGCE COc1ccccc1/C(C)=C\C(=O)NCc1cc(C)ccc1O 1557554393 YITANFLYPADPMA-KAMYIIQDSA-N 311.381 3.429 10 10 DGCE Cc1cc(C)n2ccc(C(=O)N[C@@H](C)c3ccccc3O)c2n1 1642830927 MGLDCTJSWSKBBZ-ZDUSSCGKSA-N 309.369 3.148 10 10 DGCE COc1ccc(N(C)C[C@@H]2CC[C@H](C(F)(F)F)O2)c(OC)c1 1652957672 NDKVNVLTXZSKHA-SMDDNHRTSA-N 319.323 3.250 10 10 DGCE Cc1cnc(NC(=O)c2ccccc2-n2c(C)cc(C=O)c2C)[nH]1 1588188588 IZLFWYYNOWDEGB-UHFFFAOYSA-N 322.368 3.190 10 10 DGCE Cc1ccc(CNC(=O)NCc2cccc(Cl)c2O)cc1F 1676298431 HLXHZAOHVMSAGX-UHFFFAOYSA-N 322.767 3.493 10 10 DGCE NC(=O)NCc1ccc(NCc2c(O)ccc3ccccc23)cc1 152894609 KDGIZJPEAHEZQK-UHFFFAOYSA-N 321.380 3.326 10 10 DGCE C[C@H](c1ccccc1O)N(C)C(=O)c1cccc(Cl)c1N 155906330 CKGNKENIUHUMCV-SNVBAGLBSA-N 304.777 3.461 10 10 DGCE CCN(CC)CCN=NNc1cc(OC)c(Cl)cc1OC 1860491015 HEOFHIZPLAKXFH-UHFFFAOYSA-N 314.817 3.478 10 10 DGCE CCc1ccc(/N=N/N2CCN(C(=O)c3ccco3)CC2)cc1 1860483221 JKVWGEJQOVAKGX-VHEBQXMUSA-N 312.373 3.299 10 10 DGCE COc1ccc(C2=NN(C)C(=O)/C2=C/c2sccc2C)cc1 1865670910 YTHSVPUDYADWBN-GXDHUFHOSA-N 312.394 3.325 10 10 DGCE CCCCN(C)c1ccc(CNCCCO)cc1OC(C)C 212153468 JHNCQGPORIPDMT-UHFFFAOYSA-N 308.466 3.182 10 10 DGCE Oc1ccc(Br)cc1CN[C@H]1CCc2cccnc21 894755641 VMXIFMHFEBEGBA-ZDUSSCGKSA-N 319.202 3.327 10 10 DGCE CCN[C@@H](c1ccccc1O)[C@@H]1C=CCN1C(=O)OC(C)(C)C 1983476423 SAWYHTDNMBPWQL-HOCLYGCPSA-N 318.417 3.218 10 10 DGCE COCCNCc1ccc(N2CCC(Cl)=C(Cl)C2)cc1 2153618023 FUQWUTZDLDHOFK-UHFFFAOYSA-N 315.244 3.322 10 10 DGCE Nc1ccc(CNC[C@@]23CC[C@H]2CN(Cc2ccccc2)C3)cc1 2023083608 UPDFSKFHCRCPSJ-PZJWPPBQSA-N 321.468 3.271 10 10 DGCE C[C@H](N)c1ccc(N(C)[C@H]2CO[C@H](C)C2)c(Br)c1 401573334 MUTMSMBGWFOKDG-JFGNBEQYSA-N 313.239 3.082 10 10 DGCE CCC(F)(F)CN(C)c1ccc(CN)c(Br)c1 692357378 APWRHYRTFNQNHD-UHFFFAOYSA-N 307.182 3.389 10 10 DGCE Cc1oc(Br)cc1C(=O)N(C)Cc1ccccc1O 396665309 VUASGCKOORPNGR-UHFFFAOYSA-N 324.174 3.328 10 10 DGCE C[C@@H](c1cc(Br)ccc1O)N1CCCOC[C@H]1C 398956932 WDMWZDOBSKPRHB-MNOVXSKESA-N 314.223 3.327 10 10 DGCE Cc1cc(O)c([C@H](C)n2nc(C3CCC3)c(C=O)c2N)cc1C 2079987494 XESZFWHRIXAEMP-LBPRGKRZSA-N 313.401 3.477 10 10 DGCE CCCOC1(CNCc2cccc(Br)c2O)CC1 2047792605 OKVABGMKMDBHSR-UHFFFAOYSA-N 314.223 3.204 10 10 DGCE Nc1ccc(NC(=O)Nc2ccnc(Br)c2)cc1 2071567965 FKIBPOVWWBAXKG-UHFFFAOYSA-N 307.151 3.070 10 10 DGCE CN1CCCc2cc(CNCC3(Br)CCC3)ccc21 2111881465 VVWRZDABRUULMW-UHFFFAOYSA-N 323.278 3.476 10 10 DGCE O=C1C(=Cc2cccs2)SC(=S)N1C[C@H]1CCCO1 2296663488 YTSZOJKTVYQDKG-SECBINFHSA-N 311.453 3.128 10 10 DGCE COc1ccc(C2=CC(=Cc3ccncc3)C(=O)O2)c(OC)c1 2297617250 SEAPGRJICYQQPO-UHFFFAOYSA-N 309.321 3.080 10 10 DGCE Oc1ccc(Br)cc1CN[C@@H]1C[C@@H]2C[C@H]1[C@H]1C[C@@H]21 2309575657 RNOJMAXUNVQNNH-XPBAASLYSA-N 308.219 3.289 10 10 DGCE CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1cn[nH]c1 57029299 KTDLZQBXCKMPOK-UHFFFAOYSA-N 313.405 3.064 10 10 DGCE C[C@@H](NCC1(CN(C)C)CCCC1)c1ccc(F)c(F)c1O 187919176 VPBHERUSXOMPRA-GFCCVEGCSA-N 312.404 3.443 10 10 DGCE O=C(c1ccc(Cl)s1)N1CCc2cc(O)c(O)cc2C1 2366902558 FQAOYXRFZLBVIP-UHFFFAOYSA-N 309.774 3.011 10 10 DGCE CN(Cc1ccc(Br)cc1)Cc1cc(N)ccc1O 48881524 LCEAKEPXXYTNOT-UHFFFAOYSA-N 321.218 3.369 10 10 DGCE COc1ccc(O)c([C@@H](C)Nc2ccc(-n3nccn3)cc2)c1 192835730 XBXXJHFKEPANJR-GFCCVEGCSA-N 310.357 3.155 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H]1CCNCc1ccccc1O 227639720 WAPOOMKITVNCHB-HNNXBMFYSA-N 320.433 3.271 10 10 DGCE CCOc1ccc(O)c(CN(C)CCc2ncc(C)s2)c1 93807361 YRHUWQNWBITFMZ-UHFFFAOYSA-N 306.431 3.230 10 10 DGCE CC(=O)N(C(=O)OCc1cccc(F)c1)c1ccc(N)cc1 244227418 WDLPPYNHFALZAI-UHFFFAOYSA-N 302.305 3.098 10 10 DGCE COc1cccc(CN2C[C@H](C)O[C@H](c3ccccc3)C2)c1O 245551536 BMAMFFRUWVKJKP-KSSFIOAISA-N 313.397 3.363 10 10 DGCE C[C@H](N[C@@H]1C[C@@H]2OCCC[C@@H]21)c1cc2c(cc1O)CCCC2 251854424 NTCZFLIMFJBCJR-IQRRUJBNSA-N 301.430 3.489 10 10 DGCE Cc1cccc(CN2CC[C@@H](OCc3c(C)noc3C)C2)c1O 368050736 HKZCYJSBMPCOAV-MRXNPFEDSA-N 316.401 3.097 10 10 DGCE CCCc1occc1C(=O)N1CCOc2cc(N(C)C)ccc21 282568799 KSFGMPOQJCGIOI-UHFFFAOYSA-N 314.385 3.337 10 10 DGCE CCCCN(Cc1ccccc1O)C[C@@H](O)c1ccc(F)cn1 801596594 GYMAUQFSIIVYLI-GOSISDBHSA-N 318.392 3.262 10 10 DGCE CC[C@@H](NC[C@]1(OC(C)C)CCOC1)c1ccc(N(C)C)cc1 903360697 LSTJHHQMOOCCPA-RTBURBONSA-N 320.477 3.377 10 10 DGCE CN(C)c1ccc(/C=C\CNc2cnc3c(c2)COCC3)cc1 835042761 LKXSANRODOXYHT-ARJAWSKDSA-N 309.413 3.346 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@@H]3CCCSCC3)C2)cc1 850489185 WGENMJRGCYZOIY-HUUCEWRRSA-N 306.475 3.149 10 10 DGCE CCOC(=O)[C@H](CC1CC1)NCc1cc(Cl)cc(F)c1O 753568996 NOYGSJWFSCZPTN-ZDUSSCGKSA-N 315.772 3.006 10 10 DGCE CC[C@@H](C)[C@H](NC(=O)N1Cc2cccc(O)c2C1)C(F)(F)F 931097771 ZQARJNGGUYHXRG-RNCFNFMXSA-N 316.323 3.394 10 10 DGCE Cc1cc(C2(NCc3cccc(Cl)c3O)CCOCC2)on1 862541952 AQUYFPGYRQECQD-UHFFFAOYSA-N 322.792 3.138 10 10 DGCE [N-]=[N+]=NC[C@H]1CCN(C(=O)CCCOCc2ccccc2)C1 1958666979 APKBRCTVDCOCGO-OAHLLOKOSA-N 302.378 3.142 10 10 DGCE Cc1ccc(/C=C/C(=O)N2CCOc3c(Cl)cccc32)cn1 779472802 JZBFXCOIOXRIPA-BQYQJAHWSA-N 314.772 3.482 10 10 DGCE COc1cc(Br)cc(CNC2CCCC2)c1O 76276075 UVRXWFOEXGCWIU-UHFFFAOYSA-N 300.196 3.196 10 10 DGCE Cc1ccccc1[C@H]1C[C@H](NCc2cc3c(cc2O)OCO3)C1 798501531 LMBAYYLIHTYZRD-CTYIDZIISA-N 311.381 3.465 10 10 DGCE CNC(=O)C[C@@H](N[C@@H](C)c1ccc(C)cc1O)c1ccccc1 795849979 SAUQBMALZZTGKC-WMLDXEAASA-N 312.413 3.229 10 10 DGCE C[C@H](N)c1ccc(N2CCO[C@](C)(C(F)F)C2)c(Cl)c1 698821768 LGEAEOOIHRTQPJ-XPTSAGLGSA-N 304.768 3.220 10 10 DGCE Cc1ccc(SCCC(=O)NCc2cc(O)ccc2O)cc1 1153879149 HDLDLRFHNNUFQG-UHFFFAOYSA-N 317.410 3.205 10 10 DGCE C[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@H]1c1ccccc1 1303504819 HRVNDVHHHBNPDW-ORAYPTAESA-N 311.381 3.250 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@@H]2CCCC[C@@H]2N(C)C)cc1 1347943214 WYJDDPIKJZXMDA-ZSQQTYLHSA-N 301.478 3.228 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)c1ccc2c(c1)C[C@H](C)O2 1360075681 OGDQXXJBLCJTDA-AWEZNQCLSA-N 324.424 3.314 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)NCC[C@@H]2C[C@H]3CC[C@H]2C3)cc1 1292477791 GBRIHWICEMRTMA-FPMFFAJLSA-N 314.389 3.405 10 10 DGCE C[C@@H](NC(=O)[C@]1(O)CCCC(C)(C)C1)c1ccc(N(C)C)cc1 1467260833 UZQSRUAQFJIXOP-KUHUBIRLSA-N 318.461 3.261 10 10 DGCE C[C@@H]1CCC[C@H]([C@@H]2CCCC(=O)C2=O)N1C(=O)OC(C)(C)C 227197999 QKHDYBVOFAIEFT-FRRDWIJNSA-N 309.406 3.103 10 10 DGCE C[C@@H](C(=O)O)C1=CCC(=S)C(OC(=O)Cc2ccccc2)=C1 1616057391 HKGXEFXPCXNQQR-LLVKDONJSA-N 316.378 3.077 10 10 DGCE COc1ccc(CCC(=O)NCc2cc(Cl)ccc2O)cc1 1639965466 KJSZQSDMIDTFJH-UHFFFAOYSA-N 319.788 3.303 10 10 DGCE O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)c1cc2cc(O)c(O)cc2s1 1565886846 UVFITYQNHAAPDY-ATZCPNFKSA-N 303.383 3.231 10 10 DGCE C[C@H]1c2ccccc2C[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 1640094256 JQFYHQAIVZYDTM-MEDUHNTESA-N 322.368 3.307 10 10 DGCE C[C@@H](NC(=O)c1c(F)ccc(O)c1O)c1cc2ccccc2o1 1654487859 NZZCUOZCLZDNLP-SECBINFHSA-N 315.300 3.474 10 10 DGCE C[C@@H](NC(=O)c1cc(F)c(F)c(F)c1F)c1ccccc1O 1587444519 IECCEFKQAQVYOZ-SSDOTTSWSA-N 313.250 3.440 10 10 DGCE CC(C)(C)OC(=O)N[C@]1(C)CCCN(CCCCN=[N+]=[N-])C1 1962287212 GQQWDRBEILYEPE-OAHLLOKOSA-N 311.430 3.456 10 10 DGCE CC(C)CNCc1ccc(N2CCC(C)(O)CC2)c(Cl)c1 164173491 UKNNLARUDHSTQX-UHFFFAOYSA-N 310.869 3.437 10 10 DGCE Cc1ccc(C)n1[C@H](CC(=O)OC1COC1)c1ccc(F)cc1 1853045251 KUSRKMXJIWAOLP-QGZVFWFLSA-N 317.360 3.166 10 10 DGCE Cc1ccc(O)c(CNCCC(=O)Nc2cc(C)ccc2C)c1 1857853295 RWEVWJXBUWMRQG-UHFFFAOYSA-N 312.413 3.436 10 10 DGCE CC(C)(C)OC(=O)N[C@H](CN=[N+]=[N-])Cc1ccc([N+](=O)[O-])cc1 1951351061 RJCQOOYTAKPDLE-NSHDSACASA-N 321.337 3.341 10 10 DGCE C[C@@H]1CC[C@@H](CCNCc2ccc(Br)cc2O)O1 1965985570 SJLJRHDOUXNKCG-MFKMUULPSA-N 314.223 3.202 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC1CC(c2ncc[nH]2)C1 1967788272 VBFGUDQQJOHNJT-UHFFFAOYSA-N 312.200 3.458 10 10 DGCE C[C@H](c1ccccc1O)N(C)Cc1c(Br)cnn1C 1968790741 NCMVINRASTYHSW-SNVBAGLBSA-N 324.222 3.081 10 10 DGCE Cc1ccc(F)c(S(=O)(=O)Nc2ccc(O)cc2Cl)c1 2145851372 MVTDHHYIKGKRIX-UHFFFAOYSA-N 315.753 3.294 10 10 DGCE C[C@@H](CO)N(Cc1ccccc1)c1ccc2c(c1)CCC[C@@H]2O 1986601659 WOMPHINJYUGVGC-YWZLYKJASA-N 311.425 3.444 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](Oc2ccc(N)cc2)[C@@H]1C1CC1 1992515480 RLTWRTJNQMEXNP-HOTGVXAUSA-N 318.417 3.436 10 10 DGCE O=C(O)C[C@H](NCc1cccc(Cl)c1O)c1cccs1 164992537 REMUSTZGSSOOBS-NSHDSACASA-N 311.790 3.413 10 10 DGCE Nc1ccc(CCNC(=O)c2ccccc2Br)cc1 40675567 JUKHBJRFUFCNSO-UHFFFAOYSA-N 319.202 3.004 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C[C@]2(Br)CC2(F)F)CC1 2023775843 LUGWRTNZXMVISQ-RKDXNWHRSA-N 309.158 3.324 10 10 DGCE CC[C@@H](NC1CC(C)(O)C1)c1cc(Br)ccc1O 2040939784 TVIGKJJOPTWVKJ-KSGYAGIASA-N 314.223 3.109 10 10 DGCE CNCc1ccc(N2C[C@H]3[C@H](C2)C3(C)C)cc1Br 379547656 HIXOVPRLVXIBJW-STQMWFEESA-N 309.251 3.261 10 10 DGCE CNCc1ccc(N2CCN(Cc3ccccc3)C[C@H]2C)c(C)c1 382761726 ZTOXXGMNIIUIPB-GOSISDBHSA-N 323.484 3.425 10 10 DGCE CC[C@H](c1cc(Br)ccc1O)N(C)C1CC(N)C1 385251745 XCONOWYAUHXYCY-GCZXYKMCSA-N 313.239 3.027 10 10 DGCE COc1cccc(Cn2nc(C)c(C)c2Br)c1O 2080107970 WFVSLWPRIVRCEN-UHFFFAOYSA-N 311.179 3.025 10 10 DGCE CCCNCc1ccc(N2CC[C@H]2CF)c(Br)c1 2063225492 QYGHWSQHDLKCSM-LBPRGKRZSA-N 315.230 3.497 10 10 DGCE Cc1cc(CN(C)c2ccc([C@@H](C)N)c(Br)c2)on1 2114172856 LDCAUXJUBAWOES-SNVBAGLBSA-N 324.222 3.402 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)Cc1cccc(Br)c1 2225798632 HJVYOUBYLGNSQO-VXGBXAGGSA-N 323.194 3.339 10 10 DGCE CCn1c(C)cc(C=C2NC(=O)N(c3ccccc3)C2=O)c1C 2294061185 KEUJKDKAKDGXCP-UHFFFAOYSA-N 309.369 3.222 10 10 DGCE CCN1C(=O)C(=C2C=Cc3cc(C)ccc3N2CC)OC1=S 2294737401 QJWXYJVEEPDIHI-UHFFFAOYSA-N 314.410 3.223 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@@H]1C[C@@H]2CC[C@H]1O2 2296840028 QOLXIBQSFYSPBG-LJUAHTATSA-N 302.201 3.356 10 10 DGCE Cc1ccc2nc(C(=O)O)c(N=Nc3ccc(C(=O)O)cc3)n2c1 2318380527 VIHAKZSFZZYOBZ-UHFFFAOYSA-N 324.296 3.455 10 10 DGCE Oc1cc2c(cc1O)CN(CC[C@H]1CC1(Cl)Cl)CC2 2341194159 OEEYMBZWVAJRSR-NSHDSACASA-N 302.201 3.040 10 10 DGCE CCc1nc(CN(c2ccc(OC)cc2)[C@@H](C)C2CC2)no1 111236620 CYKYSNPLKAQFEW-LBPRGKRZSA-N 301.390 3.446 10 10 DGCE CN1CCCc2cc(/C=C3\N=C(c4ccsc4)OC3=O)ccc21 51976929 NDFMDNNITRZECB-GDNBJRDFSA-N 324.405 3.475 10 10 DGCE CC(C)=C(F)C(=O)NCc1ccc(N2CCSCC2)cc1 126278904 ZNEPXLYSWYGHGG-UHFFFAOYSA-N 308.422 3.119 10 10 DGCE Cc1nccn1C[C@@H](C)CN[C@H](C)c1ccc(F)c(F)c1O 187699154 RPXAGOIPZZOYJF-WDEREUQCSA-N 309.360 3.162 10 10 DGCE COc1ccc(CN2C[C@@H](c3ccccc3)OC[C@H]2C)c(O)c1 130685225 LHMNLJDFEOMUKD-KUHUBIRLSA-N 313.397 3.363 10 10 DGCE CC[C@@H](CN[C@@H](C)c1cc(O)ccc1O)NC(=O)OC(C)(C)C 227716661 IYAFFIIJKBBSQQ-RYUDHWBXSA-N 324.421 3.052 10 10 DGCE CN(CCC(F)(F)F)c1ccc(CN)c(Br)c1 228153578 MLLKGVCAOLSMGC-UHFFFAOYSA-N 311.145 3.296 10 10 DGCE Cc1ccc(O)c(CN[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 382476854 JLECBFQNDYDIDW-LSDHHAIUSA-N 320.433 3.236 10 10 DGCE Cc1ccccc1C1=CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 378613539 ZLXKJEZKSWPPIA-VQHVLOKHSA-N 321.376 3.345 10 10 DGCE Nc1c(F)ccc([C@@H](N)c2ccc(OC(F)(F)F)cc2)c1O 725274800 GEVUGKPZEFFYGP-NSHDSACASA-N 316.254 3.060 10 10 DGCE COC[C@H](C)n1ccc(NC/C=C\c2ccc(N(C)C)cc2)n1 835047191 ZZSZCTDNJZKLNO-YVACAVLKSA-N 314.433 3.282 10 10 DGCE CC(C)[C@H]1CN(C)CCN1C/C=C/c1ccc(N(C)C)cc1 835045566 WKDMWQGBZXBQDL-OVKVCFKUSA-N 301.478 3.038 10 10 DGCE COc1cccc([C@H](C)NCCOc2ccc(F)cc2F)c1O 846151499 ZECWUVFMFSTOEC-NSHDSACASA-N 323.339 3.409 10 10 DGCE CCOc1ccc(O)c(CN[C@@H](C)[C@@H]2C[C@H](C(=O)O)C2(C)C)c1 848639701 JMTFAEFYZYXLET-TUKIKUTGSA-N 321.417 3.016 10 10 DGCE COc1ccc([C@@H](CN)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c(O)c1 1083679251 BQURNKBJRKCNJO-NRXGSXMXSA-N 318.461 3.301 10 10 DGCE C[C@@H](N[C@H]1CCc2cc(N)ccc21)c1cc([N+](=O)[O-])ccc1O 854227203 UIGSXWLWWPLQDF-HWPZZCPQSA-N 313.357 3.221 10 10 DGCE CCO[C@@H](CN[C@@H](CC)c1cc(Cl)ccc1O)CN(C)C 926959559 JRQQXARSCDCGCF-ZFWWWQNUSA-N 314.857 3.053 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)OC[C@H]1CCc2ccccc2C1 759589788 SUSAAVNMNULICY-XMELGKRDSA-N 324.376 3.459 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)/C=C(/C)C(C)(C)C)C2)cc1 855226375 RMOXSUNOJHLEQJ-IKESIWSLSA-N 316.445 3.383 10 10 DGCE C[C@H](CNCc1ccc(N2CCOCC2)cc1)Cc1ccccc1 753966753 ITCLFCWYIMWBAC-SFHVURJKSA-N 324.468 3.492 10 10 DGCE C[C@@H](C(=O)NCc1c(O)ccc2c1CCCC2)c1ccncc1 866770730 CPWZCCMTGKFFGA-CYBMUJFWSA-N 310.397 3.086 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)C(F)=C1CCCC1 862027550 WQUBXIBKGJNHNR-UHFFFAOYSA-N 300.333 3.354 10 10 DGCE COC(=O)c1coc([C@@H](C)Sc2ncc(Cl)s2)n1 865372285 OQPQLTXLFBBFJI-RXMQYKEDSA-N 304.780 3.424 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@]12CCC[C@H]1OCC2 865027446 QCMHWGFCUUINSF-MJGOQNOKSA-N 316.445 3.060 10 10 DGCE COc1ccc(O)c([C@@H](C)N[C@H]2C[C@@H](C(=O)OC(C)(C)C)C2)c1 866525197 PJGVYTQBYSDZEK-UPJWGTAASA-N 321.417 3.172 10 10 DGCE O=C(c1cc(O)cs1)N1CCC(Oc2ccccc2F)CC1 870244231 GBTKBRCXKUYAQL-UHFFFAOYSA-N 321.373 3.276 10 10 DGCE CCCOc1ccc(CNC2CCC(C(=O)NC)CC2)cc1C 873025693 FFOOWRJBJCPCIS-UHFFFAOYSA-N 318.461 3.178 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CC[C@H](Nc2c(N)cccc2F)C1 1959370988 KOBAVBHWHRQUDE-QWRGUYRKSA-N 309.385 3.266 10 10 DGCE O=C(NC[C@H]1CCCCS1)c1cc2cc(O)c(O)cc2s1 897368693 SFVDTZHWFTUYIE-SNVBAGLBSA-N 323.439 3.328 10 10 DGCE C[C@H](CNCc1cccc(O)c1O)COCc1ccccc1 389935763 MCDXZSCFJYJFQG-CQSZACIVSA-N 301.386 3.040 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCC(C)(N3CCC3)CC2)cc1 895670270 DMTFXYPSNAYFAK-XQRVVYSFSA-N 313.489 3.326 10 10 DGCE C[C@@H](NCc1ccc(N(C)C)cc1C(F)(F)F)C(C)(C)O 792951068 BUADILNEMQNHIT-SNVBAGLBSA-N 304.356 3.020 10 10 DGCE C[C@H]1[C@H](C)C[C@H]1NCc1cc(Br)cc(F)c1O 715826790 JFYVYDVAWMGADL-RGNHYFCHSA-N 302.187 3.428 10 10 DGCE CN(C[C@H]1CCCS1)c1ccc(CN)c(C(F)(F)F)c1 718457301 DEOJJUPMLRXKOB-GFCCVEGCSA-N 304.381 3.496 10 10 DGCE CCc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1cccc(O)c1O 1348048805 WWZIDVRPKLCQTM-JKSUJKDBSA-N 311.381 3.080 10 10 DGCE CCCCC(=O)N[C@@H](C)[C@@H](C)NCc1ccc(OC)c(C)c1 1505561324 KMZRAPPGTMGDSX-CABCVRRESA-N 306.450 3.177 10 10 DGCE Cc1ncccc1/C=C/C(=O)N1CCOc2c(Cl)cccc21 1532565930 VRYWDEOBSVYYTF-BQYQJAHWSA-N 314.772 3.482 10 10 DGCE Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccccc2O)c1 1471195426 HXRKNPCMSLYDFQ-LLVKDONJSA-N 300.314 3.100 10 10 DGCE CCC/C=C\[C@@H](O)C(=O)NCc1cc(Cl)cc(Cl)c1O 1556884225 RQGPCRWBVDEQLW-QMAVJUDZSA-N 318.200 3.032 10 10 DGCE COc1ccc(N(C)CCN(C)C[C@H]2CCC(C)(C)CO2)cc1 1646717684 CVWCVDWXDOQZQT-GOSISDBHSA-N 320.477 3.268 10 10 DGCE CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NCc1cc(O)ccc1O 1643882186 PVAYOMBIWUOXHI-MJEQTWJJSA-N 321.417 3.088 10 10 DGCE Cc1ccc2nc(NC(=O)Cc3ccc(O)c(O)c3)sc2c1 1584704635 HMZUSYZFJPGCGK-UHFFFAOYSA-N 314.366 3.197 10 10 DGCE CN(C[C@H]1CCCN(CCCN=[N+]=[N-])C1)C(=O)OC(C)(C)C 1962287241 GYHDASDTGRRUNW-CYBMUJFWSA-N 311.430 3.266 10 10 DGCE NC(=O)c1cccc2c1N[C@H](c1ccc(O)cc1O)[C@H]1CC=C[C@H]21 13639715 UFCFBSXOMZUVDV-PRXAMGSTSA-N 322.364 3.023 10 10 DGCE CC[C@H]1CO[C@H](C)CN1c1ccc(/C=C/C(=O)O)cc1Cl 164356643 WLVURXHAYIRNRA-HASJVIIQSA-N 309.793 3.442 10 10 DGCE CNCc1ccc(OC)c(C[S@](=O)[C@@H]2CCC[C@@H](C)C2)c1 203654520 AJOYMICYHKPVDF-FQWGINHLSA-N 309.475 3.242 10 10 DGCE CCOC(=O)N1CCN(/N=N/c2cccc(Cl)c2C)CC1 1860482966 XKGDQZXXBJYWCC-WUKNDPDISA-N 310.785 3.421 10 10 DGCE Nc1ccc(CN2C[C@H](c3cc(F)ccc3F)OC2=O)cc1 585896642 PAQKEEHRIJQUOB-OAHLLOKOSA-N 304.296 3.241 10 10 DGCE CN[C@H](C)c1ccc(N(C)C2CSC2)cc1Br 1941418738 DKPROQXUXPMVAQ-SECBINFHSA-N 315.280 3.281 10 10 DGCE Oc1cccc2c1[C@H](NCc1nccn1Cc1ccccc1)CC2 1942379663 BFHMOKGNDCFABP-QGZVFWFLSA-N 319.408 3.414 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNCc1cnn2c1CCC2 825939673 GCCNCUCRGHLHCA-UHFFFAOYSA-N 312.200 3.132 10 10 DGCE C[C@@]1(C(=O)NCc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)CC1(F)F 1890740074 VUAQBVYXEQMYPN-QRTARXTBSA-N 320.383 3.337 10 10 DGCE CC(C)OC(C)(C)CNCc1ccc(Br)cc1O 1964607519 UGHDEYHWJWOMNG-UHFFFAOYSA-N 316.239 3.448 10 10 DGCE CO[C@@H]1[C@@H](NCc2cc(Br)ccc2O)CC1(C)C 1974252510 LPAWMYRFKCJCLI-WCQYABFASA-N 314.223 3.058 10 10 DGCE CN[C@H]1CCc2cc(N(CCCO)Cc3ccccc3)ccc21 1986606142 IYVXCOMQJIHKGO-FQEVSTJZSA-N 310.441 3.282 10 10 DGCE Cc1ccc(CNC[C@H](NC(=O)OC(C)(C)C)C(C)C)c(O)c1 1994457852 JACPXOHRPMMUJU-HNNXBMFYSA-N 322.449 3.340 10 10 DGCE CNCc1ccc(N(C)CC(C)(C)F)cc1Br 2001372734 FKBLKSLGWMBEPZ-UHFFFAOYSA-N 303.219 3.353 10 10 DGCE Cc1onc(CN2CCC[C@H]2CN=[N+]=[N-])c1Br 2009443927 ZIFBLOJNCCNYQK-QMMMGPOBSA-N 300.160 3.020 10 10 DGCE CO[C@H]1CN(Cc2c(O)cccc2Br)CC[C@H]1C 707138788 HFJUOGGRWKFGKI-YGRLFVJLSA-N 314.223 3.012 10 10 DGCE COc1ccc(Cn2nc(C3CC3)c(C3(C)CC3)c2N)c(O)c1 2079690875 KHOHNQQNLRWDBU-UHFFFAOYSA-N 313.401 3.157 10 10 DGCE CCC(CC)Cc1cc(O)n2nc(C3CCC3)c(C(=O)O)c2n1 2080882181 IQESWBLAYOOGCM-UHFFFAOYSA-N 317.389 3.379 10 10 DGCE CNCc1ccc(N2CC(C)(C3CC3)C2)c(Br)c1 2044963395 BAGCATRHHHSDLY-UHFFFAOYSA-N 309.251 3.405 10 10 DGCE Nc1ccc(CCOCc2cncc(Br)c2)cc1 2056190196 VUQYJHNKQNGMHZ-UHFFFAOYSA-N 307.191 3.186 10 10 DGCE CC[C@](C)(CN(C)c1ccc(CN)c(Br)c1)OC 2066250912 XAUWPXGHQZHICG-CQSZACIVSA-N 315.255 3.159 10 10 DGCE Cc1cnn(C)c1[C@@H](C)NCc1cc(Br)ccc1O 2094117981 MIIRCAKAQZCKLN-SNVBAGLBSA-N 324.222 3.047 10 10 DGCE COc1ccc(Br)c(CN[C@]2(C)CC2(C)C)c1O 2220461914 DFANAQAIJTVGBF-CQSZACIVSA-N 314.223 3.442 10 10 DGCE N=C(NO)c1cnc(Sc2ccc(C(F)(F)F)cn2)s1 2296263199 GKCPQTJRGANOFP-UHFFFAOYSA-N 320.321 3.012 10 10 DGCE O=C(O)c1nc2c(O)cccn2c1N=Nc1ccc(F)cc1 2320774210 JYNANFGCJDYCJM-UHFFFAOYSA-N 300.249 3.293 10 10 DGCE Cc1ccc(CN[C@H]2C[C@@H](CF)C2)c(O)c1Br 2307472467 DTPRPGWOLRLRTM-JGZJWPJOSA-N 302.187 3.301 10 10 DGCE COc1ncc(Br)c(C)c1NCc1ccccc1O 2344240791 KOKOCBONPMLNEM-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H](N)C[C@H]1c1cc(Cl)ccc1O 1952460258 UTOHGQHCBJUQDX-JQWIXIFHSA-N 312.797 3.055 10 10 DGCE Oc1cc2c(cc1CN1CCN(c3cccs3)CC1)CCC2 121659721 XRIKPGVPPJSEGA-UHFFFAOYSA-N 314.454 3.265 10 10 DGCE CC1(C)CN(c2ccc(CN)c(Br)c2)CCS1 228155856 PECPBPXNQSDKJY-UHFFFAOYSA-N 315.280 3.240 10 10 DGCE CCN1CCN(c2ccc(CNC(C)C)cc2Cl)C[C@H]1C 250307163 LHZFBMRQGRJSOU-CQSZACIVSA-N 309.885 3.368 10 10 DGCE Cc1cc(CNC(=O)Cc2cc(C)n(-c3ccccc3)c2C)no1 823637371 JWGMRGVMOXDDBD-UHFFFAOYSA-N 323.396 3.249 10 10 DGCE Oc1ccc2c(c1)CN(Cc1cccc(Cl)c1O)CCO2 827657390 NDBPUXXGZGUHCM-UHFFFAOYSA-N 305.761 3.146 10 10 DGCE CN(C)c1ccc([C@@H]2C[C@H]2C(=O)N2Cc3cccc(O)c3C2)cc1 828328278 WVCRDQXBDAIXGL-DLBZAZTESA-N 322.408 3.104 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@H]1Cc1ccccc1 588403564 OZAWMFWDQPVFHE-CCCPALQASA-N 323.392 3.345 10 10 DGCE CN(C)c1ccc(/C=C/CN2CC[C@@H](O)CC(C)(C)C2)cc1 835054655 LZCBAWLLDHLVDS-DUMMIQTOSA-N 302.462 3.249 10 10 DGCE CN(C)c1ccc(/C=C/CNCC[C@@H](O)c2ccccc2)cc1 835052455 CDPRUZRXGTWUPJ-ROUKRRSUSA-N 310.441 3.479 10 10 DGCE Oc1cc2c(cc1CN1CC[C@@H](CN3CCCCC3)C1)CCC2 742169262 QMJGACOUKNTKPS-INIZCTEOSA-N 314.473 3.189 10 10 DGCE CC1(c2noc(-c3csc(Cc4ccc(N)cc4)n3)n2)CC1 843238369 IIKZJMHBGJJBBR-UHFFFAOYSA-N 312.398 3.418 10 10 DGCE COc1cc(O)c(CNCC[C@@]2(C)C[C@@]2(F)Cl)cc1OC 846035575 HDWXSXFUSXQTEP-GJZGRUSLSA-N 317.788 3.204 10 10 DGCE Cc1cc(CN[C@H]2C[C@H](O)C23CCC3)ccc1N1CCCCC1 852580909 GDSHOUVDTGDHHH-OALUTQOASA-N 314.473 3.378 10 10 DGCE COc1ccc(N2CC[C@@H](Nc3ncnc4c3CCCC4)C2)cc1 853758832 KZUWPNAJVWCFPG-CQSZACIVSA-N 324.428 3.055 10 10 DGCE CCN(CC)c1ccc(CN[C@@H]2CC=C(C(=O)OC)C2)cc1F 862465861 MALLFISHUZLXKF-OAHLLOKOSA-N 320.408 3.023 10 10 DGCE CCCc1csc(NC(=O)N2Cc3cccc(O)c3C2)n1 930725283 XXKOENGLCOGKMA-UHFFFAOYSA-N 303.387 3.349 10 10 DGCE C[C@H](NC(=O)N[C@@H]1C[C@H]1c1cccc(F)c1)c1ccccc1O 868165219 ZYEJTECMRHLWQG-KNXALSJPSA-N 314.360 3.448 10 10 DGCE CC/C=C(\F)C(=O)NCc1cccc(Br)c1O 867831294 TWKULZRQUPFJCX-WMZJFQQLSA-N 302.143 3.034 10 10 DGCE C[C@@H](NCc1cc(O)ccc1[N+](=O)[O-])c1ccc(N(C)C)cc1 775362618 IZVSOGJNZGNVTA-GFCCVEGCSA-N 315.373 3.217 10 10 DGCE O=C(NCC[C@@H]1CCCS1)c1cc2cc(O)c(O)cc2s1 899168650 DVNSTHASLBNPET-JTQLQIEISA-N 323.439 3.328 10 10 DGCE Cc1ncsc1/C=C/C(=O)N1CCOc2c(F)cc(F)cc21 1130421492 XCWGAZFDEZACQZ-NSCUHMNNSA-N 322.336 3.169 10 10 DGCE O=C(CCc1ccccn1)NCc1c(O)ccc2ccccc12 1157041711 MBWUDIQOUHBKRQ-UHFFFAOYSA-N 306.365 3.189 10 10 DGCE C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccccc1O 1151892294 NGQQRSHFIKWROK-VIFPVBQESA-N 320.732 3.445 10 10 DGCE Cc1ccc(C(=O)N[C@@H](C)COCC2CCCCC2)c(O)c1O 1156148183 PVWWKBDENVPZFS-ZDUSSCGKSA-N 321.417 3.121 10 10 DGCE O=C(NCc1ccc(N2CCCCC2)cc1)C1(CF)CCC1 1349811343 JUKZQOLXRCCHAY-UHFFFAOYSA-N 304.409 3.433 10 10 DGCE CC1(C)C[C@H](C(=O)O)N(Cc2cc(Cl)cc(Cl)c2O)C1 1912577703 YOCIYOOFDREGMX-LLVKDONJSA-N 318.200 3.384 10 10 DGCE CCCN(CC1CC1)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] 1458284852 ZPPHPMJDJOWEBS-VQHVLOKHSA-N 318.373 3.407 10 10 DGCE O=C(Nc1ccnn1C1CC1)c1cc2cc(O)c(O)cc2s1 1457063405 SZVFTFQFRMDVGG-UHFFFAOYSA-N 315.354 3.096 10 10 DGCE Cc1ccc(C(=O)N2CCC[C@H](C3CCC3)CC2)c(O)c1O 1455084275 FMCVPXSPDZSFID-AWEZNQCLSA-N 303.402 3.449 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2COC[C@@H]2C2CC2)cc1 1537611189 QEXRNKAOGSBERQ-RTBURBONSA-N 324.424 3.249 10 10 DGCE CCCCN(CC)c1ccc(CNCCCO)cc1OCC 211863268 ACNMIUHGFHXQLY-UHFFFAOYSA-N 308.466 3.184 10 10 DGCE COC(=O)[C@H](NCc1ccc(N(C)C)c(C)c1)C1CCCCC1 1559731699 UCNMTOBSVKEHGI-GOSISDBHSA-N 318.461 3.273 10 10 DGCE O=C(NCc1ccc(-c2cnco2)cc1)c1cc(O)cs1 1627592920 DDRNYJBWIJBVGZ-UHFFFAOYSA-N 300.339 3.039 10 10 DGCE CCc1ccc2occ(C(=O)NCc3cc(O)ccc3O)c2c1 1637126269 QTFAIKSOFZYELB-UHFFFAOYSA-N 311.337 3.336 10 10 DGCE Cc1nnc(-c2cccc(C(=O)N[C@@H](C)c3ccccc3O)c2)o1 1648892346 WQXSCKYAJSIAMC-NSHDSACASA-N 323.352 3.242 10 10 DGCE C[C@H](NC(=O)Cc1ccc(OC(F)F)cc1)c1ccccc1O 1648891539 AVIKIGFZCOLZSA-NSHDSACASA-N 321.323 3.414 10 10 DGCE Cc1ccc(C(=O)NCc2cc(O)ccc2O)c(Cl)c1C 1643881755 DFPWIJLHTFRDKZ-UHFFFAOYSA-N 305.761 3.298 10 10 DGCE CN1CCc2cc(CNc3cccnc3Br)ccc21 231674846 BMTBWEQSDSIIGX-UHFFFAOYSA-N 318.218 3.449 10 10 DGCE Cc1cc(O)c(CN2CCO[C@H](c3nccs3)C2)cc1C 152230512 LATVHSYINPNLDD-HNNXBMFYSA-N 304.415 3.039 10 10 DGCE N[C@]1(c2ccccc2O)C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 1938309882 PABYWNRXPPHLKM-YRWFTTLQSA-N 308.425 3.373 10 10 DGCE C[C@@H](CCN(C)C(=O)OC(C)(C)C)N(C)Cc1ccc(N)cc1 1980080772 QSSIUKXVSSEWJX-AWEZNQCLSA-N 321.465 3.346 10 10 DGCE CCN[C@H](c1ccccc1O)C1(F)CN(C(=O)OC(C)(C)C)C1 1984091299 NVCCSGIGIZQCSE-CQSZACIVSA-N 324.396 3.002 10 10 DGCE Nc1ccc2nc(NC(=O)CSc3nccs3)sc2c1 40676630 MHTYKOSFXBUDDF-UHFFFAOYSA-N 322.440 3.066 10 10 DGCE CCOc1ccc2nc(Sc3ncc(C=O)s3)[nH]c2c1 2155354180 ISOFTGAYKNCHJX-UHFFFAOYSA-N 305.384 3.382 10 10 DGCE CC(C)NCc1cc(F)c(N(C)[C@@H]2CCSC2)c(F)c1 62710469 USPSWHGWTCYUSE-GFCCVEGCSA-N 300.418 3.405 10 10 DGCE Oc1cc(Br)ccc1CN1C[C@H]2C[C@H]1C(F)(F)C2 2038341786 NXHTXBIZRDEUQV-UFBFGSQYSA-N 318.161 3.384 10 10 DGCE CC[C@@H]1CNCCN1c1ccc(OC(F)(F)F)c(Cl)c1 401253315 CYIFQVSHBRCBJH-SECBINFHSA-N 308.731 3.427 10 10 DGCE Cc1ccc(O)c(CNCc2cncc(Br)c2)c1 702965497 FQLMBPHEHJYCCN-UHFFFAOYSA-N 307.191 3.148 10 10 DGCE CSC1CC(N(C)c2ccc(CN)cc2C(F)(F)F)C1 707271294 LJIIVJIYUHBYOS-UHFFFAOYSA-N 304.381 3.494 10 10 DGCE C[C@H]1C[C@H](N(C)Cc2cc(Br)ccc2O)CCO1 721481053 YEUQOGSQMPMLAZ-GXFFZTMASA-N 314.223 3.154 10 10 DGCE Oc1cnn(Cc2cccc(C(F)(F)F)c2O)c1C(F)F 2079026253 YKFICSCKYVHLKY-UHFFFAOYSA-N 308.206 3.299 10 10 DGCE CCCNCc1ccc(N2CCOC[C@H]2CF)c(Cl)c1 2182600459 RWRIFIOBPMBTBV-CYBMUJFWSA-N 300.805 3.014 10 10 DGCE Cc1cc(Br)ncc1CN1CCC[C@H]1CN=[N+]=[N-] 2059050918 WSEKLKMXMIYEEK-NSHDSACASA-N 310.199 3.427 10 10 DGCE CCOc1cccc(CN[C@H]2CCC=C2Br)c1O 2076079826 SQAHJFZDFXXQLG-LBPRGKRZSA-N 312.207 3.322 10 10 DGCE Cc1cccc(CNC(=O)c2ccc(Cl)nc2Cl)c1O 2204624789 QNNRVVTZXMJHCL-UHFFFAOYSA-N 311.168 3.332 10 10 DGCE COC(=O)[C@@](CSc1nccs1)(CC(C)C)NC(C)C 2207925514 IYIMVJIJSNNAJI-AWEZNQCLSA-N 316.492 3.191 10 10 DGCE C[C@@H](O)c1ccc(N(C)C2CSCCSC2)c(F)c1 2228721901 ZPOPEWVAZNWYET-SNVBAGLBSA-N 301.452 3.164 10 10 DGCE CCCN1CCC[C@@H]([C@H](C)NCc2cnc(SC)s2)C1 2284688617 LLJXVMOLPBUSFO-QWHCGFSZSA-N 313.536 3.465 10 10 DGCE CC(=Cc1ccccc1)C=C1SC(=S)N(CCCO)C1=O 2294874507 JCBSDSOBXTUOPL-UHFFFAOYSA-N 319.451 3.217 10 10 DGCE C[C@@H](N)c1ccc(N2CCc3ncsc3CC2)c(Cl)c1 2287243164 NNNDSVUQUXLTFW-SNVBAGLBSA-N 307.850 3.421 10 10 DGCE CN(C(=O)C=Cc1ccc(Cl)nc1)c1ccc([N+](=O)[O-])cc1 2304516166 RKHPKWRYLNRJIQ-UHFFFAOYSA-N 317.732 3.319 10 10 DGCE Cc1ccc(CN2CCC(F)(F)C2)c(O)c1Br 2307459538 ARLNRWZFGWDFIQ-UHFFFAOYSA-N 306.150 3.304 10 10 DGCE CCCN1N=C(c2ccc(OC)cc2)C(=Cc2cccnc2)C1=O 2332128577 HPMLNRCDCCXMSY-UHFFFAOYSA-N 321.380 3.130 10 10 DGCE CCC1=NN(CC(C)C)C(=O)C1=Cc1ccc([N+](=O)[O-])cc1 2332148227 LUYASNCCOMFDKB-UHFFFAOYSA-N 301.346 3.242 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H](COc1ccc(N)cc1)C1CC1 1952672316 ZQWHPQWVLSLQCW-ZDUSSCGKSA-N 306.406 3.199 10 10 DGCE CCCN(CCC)c1ccc(CN(C)Cc2nnc[nH]2)cc1 179797067 POLXBOAXGDGDQZ-UHFFFAOYSA-N 301.438 3.063 10 10 DGCE Cc1ccc2ncnc(N[C@H](C)Cc3ccc(O)c(O)c3)c2c1 183599288 WDADHGQLPCGSRU-GFCCVEGCSA-N 309.369 3.393 10 10 DGCE c1cc(N2CCCCC2)ccc1CN[C@@H]1C[C@@H]2OCCC[C@@H]21 187112003 CNEVGKZBPZPWND-QRVBRYPASA-N 300.446 3.334 10 10 DGCE CC[C@]1(C)C[C@H]1C(=O)NC1CCN(c2ccc(OC)cc2)CC1 127402788 QMSZJQXANJZLRI-PKOBYXMFSA-N 316.445 3.216 10 10 DGCE CCC(CC)C(=O)N1CCN(c2ccc(OC)c(Cl)c2)CC1 244261634 WMXKQVHELQJIGW-UHFFFAOYSA-N 324.852 3.433 10 10 DGCE Cn1cc(/C=C\C(=O)N2CCOc3ncccc32)c2ccccc21 255727063 FENLYOPLYLBNGE-HJWRWDBZSA-N 319.364 3.012 10 10 DGCE c1ccc2c(c1)C[C@H](CNCc1ccc(N3CCCC3)cc1)O2 378929403 WPEQYJSTDVDOMR-LJQANCHMSA-N 308.425 3.380 10 10 DGCE Fc1cc(CN[C@H]2CC[C@@H]2C2CCC2)ccc1N1CCOCC1 800968128 XQAHQCOIJXQIMH-AEFFLSMTSA-N 318.436 3.331 10 10 DGCE CC(C)NC(=O)CCN(Cc1ccccc1O)C1CCCC1 732205059 YUHZLQSZFXPTEG-UHFFFAOYSA-N 304.434 3.052 10 10 DGCE CCCN(CCC)c1ccc(CNCC(F)(F)C(=O)O)cc1 904032738 XSSXIDWPCSHFAG-UHFFFAOYSA-N 314.376 3.123 10 10 DGCE C/C(=C\c1cccnc1)C(=O)N(CCN(C)C)c1ccccc1 846842500 YMVILHMEVRFPHS-JQIJEIRASA-N 309.413 3.080 10 10 DGCE Cc1ccc(C(=O)N[C@@H](C)C2CCC(F)(F)CC2)c(O)c1O 848346480 CUTBEVCOODKNGY-JTQLQIEISA-N 313.344 3.350 10 10 DGCE c1ccc(COc2ccc(N3C[C@@H]4CNCC[C@H]4C3)cc2)cc1 1899883710 PIZWLXXQRSSQBC-ROUUACIJSA-N 308.425 3.311 10 10 DGCE C[C@H]1C[C@H](NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)c2c(O)ccc(F)c21 926937549 PDXLWPUOIXBVMF-AIUMHDJVSA-N 303.377 3.260 10 10 DGCE O=C(O)[C@@H](CNCc1ccc(N2CCCCC2)cc1)C1CCC1 854245348 JHPIMQFYQRYDIP-SFHVURJKSA-N 316.445 3.267 10 10 DGCE COCCN(CC[C@H]1CCCCO1)c1ccc(OC)c(OC)c1 754065014 HOIIYJANXHCJFO-MRXNPFEDSA-N 323.433 3.116 10 10 DGCE CC[C@H](NC[C@@H]1CNC[C@H]1C)c1ccc(C(F)(F)F)cc1O 925784220 IFRALTFEQQYBRU-SUNKGSAMSA-N 316.367 3.307 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)Nc1cc(CO)c(F)cn1 853692117 PIWOASDIGHERLG-ZDUSSCGKSA-N 317.408 3.131 10 10 DGCE Cc1nc2cc(Cl)cnc2n1CCOc1ccc(N)cc1 57879213 QAERAQXFOJVFEF-UHFFFAOYSA-N 302.765 3.054 10 10 DGCE C[C@H](Nc1cccc([C@H]2CNC(=O)C2)c1)c1cc(F)ccc1O 757619855 UZAILAULKKJYCO-WCQYABFASA-N 314.360 3.308 10 10 DGCE COc1ccc(N(C)CCOC2CCSCC2)c(OC)c1 930082266 VSIPWOALRNYCKQ-UHFFFAOYSA-N 311.447 3.052 10 10 DGCE COc1ccc(N2CCC(N[C@H]3CC[C@H]3SC)CC2)cc1 766600826 GVUSPJLGNWSBLD-DLBZAZTESA-N 306.475 3.148 10 10 DGCE CC[C@H]1CCCC[C@@H]1OCC(=O)N1Cc2cccc(O)c2C1 871203512 AYKLMSGNCNTYFC-GUYCJALGSA-N 303.402 3.220 10 10 DGCE C[C@H](NC[C@H](C)N(C)Cc1ccccc1)c1ccc(O)cc1O 390528809 KOYVZXISPCEOMY-GJZGRUSLSA-N 314.429 3.269 10 10 DGCE CC[C@@H](NCc1cc(Cl)cc(OC)c1O)[C@@H]1CCCOC1 895665026 WZMFCAIATWSUJE-BXUZGUMPSA-N 313.825 3.349 10 10 DGCE C[C@@H](NC(=O)c1cnc2cnccc2c1)c1ccc(N(C)C)cc1 798502230 QSJAGVIEUHYSRD-CYBMUJFWSA-N 320.396 3.187 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC1(C(C)C)CC1 1230194639 DAYBDXSSVRRZMS-OAHLLOKOSA-N 317.477 3.480 10 10 DGCE CCOCc1cc(CNC2C[C@H]3[C@H](C2)C3(F)F)ccc1OC 1328063479 YRNVNBHGROUEEO-GJZGRUSLSA-N 311.372 3.365 10 10 DGCE CCOC(=O)c1cnc(SCCCOC2CCC2)s1 2128297601 MFQVNJITTKVCRR-UHFFFAOYSA-N 301.433 3.371 10 10 DGCE C/C(=C\c1cccnc1)C(=O)NCc1cccc(Cl)c1O 1180420016 HRVUHDIIJIAJMG-DHZHZOJOSA-N 302.761 3.160 10 10 DGCE c1cc(N2CCCC2)ccc1CN1CC[C@@H]2CSC[C@@H]2C1 1262012426 VXEVLWLUMDOKHX-SJORKVTESA-N 302.487 3.472 10 10 DGCE C[C@H](CCO)N(Cc1ccccc1)c1c(F)cc(CO)cc1F 1915082456 JFUHNMPLUONTNU-CYBMUJFWSA-N 321.367 3.235 10 10 DGCE CCNCc1ccc(N(Cc2ccccc2)[C@H](C)CO)cc1C 1914295541 QPTXXMLGCCPSBS-QGZVFWFLSA-N 312.457 3.492 10 10 DGCE Cc1nc(Cl)c(Cl)cc1C(=O)N1CC[C@H](CN=[N+]=[N-])C1 1912174819 DZYZNKMCUAFHFV-MRVPVSSYSA-N 314.176 3.469 10 10 DGCE O=C(Nc1ccc(O[C@H]2CC2(F)F)cc1)c1cc(O)cs1 1453772353 ORJZBLZYHWLGCJ-LBPRGKRZSA-N 311.309 3.492 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N1CCCC[C@H]1c1ccccc1 1556099415 PUTFOWYOMCNQGP-INIZCTEOSA-N 311.381 3.394 10 10 DGCE Nc1c(C(=O)NCc2ccccc2O)ccc(Cl)c1Cl 1630363080 IKABHNNMPVVAGL-UHFFFAOYSA-N 311.168 3.211 10 10 DGCE Cc1cc(Br)cc(N(C)Cc2ccccc2O)n1 1639661912 WHRLHWLYPXGPIC-UHFFFAOYSA-N 307.191 3.495 10 10 DGCE O=C(NCc1c(O)cccc1O)[C@@H]1CCC[C@H](C(F)(F)F)C1 1597568902 KEGUFMOPBPINCA-ZJUUUORDSA-N 317.307 3.083 10 10 DGCE C=COc1ccc(NC(=O)NCc2c(O)cccc2F)cc1 1678341764 ICXBGJIKGFDWRR-UHFFFAOYSA-N 302.305 3.375 10 10 DGCE Oc1c(Cl)cccc1CNc1ccc(-n2ccnc2)nc1 164974886 AWSVYNIERVIFMP-UHFFFAOYSA-N 300.749 3.238 10 10 DGCE CC(C)(C)OC(=O)NC[C@H](C[C@@H](N)c1ccccc1O)C1CC1 1936973564 HGKZUKBFMTVVFK-DZGCQCFKSA-N 320.433 3.333 10 10 DGCE CCN1N=C(c2ccccc2)/C(=C/c2cccc([N+](=O)[O-])c2)C1=O 1865676807 LJLOUELSDIYEPO-VBKFSLOCSA-N 321.336 3.245 10 10 DGCE COc1cccc(CN[C@@H]2CC[C@@H]2OCc2ccccc2)c1O 1939573131 CBWLYMGAYHFLIU-SJORKVTESA-N 313.397 3.238 10 10 DGCE Oc1cc(Br)ccc1CNC[C@@H]1CC[C@@H](F)C1 1945237093 OBBFEKDQHUBZFC-BXKDBHETSA-N 302.187 3.383 10 10 DGCE C[C@@H]1CC[C@@H](CCNCc2cccc(Br)c2O)O1 1967777229 VSSHKAQFOQRGAW-PWSUYJOCSA-N 314.223 3.202 10 10 DGCE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2Nc1ccc(N)cc1 1977682116 LNZJFGDTRSMLHE-OAHLLOKOSA-N 317.433 3.470 10 10 DGCE CC[C@@](C)(NC(=O)OC(C)(C)C)[C@@H](N)c1ccc(N(C)C)cc1 1977944399 FMPVRZAAFGZOMS-MAUKXSAKSA-N 321.465 3.446 10 10 DGCE CC1(C)CSCCN1c1ccc(CO)c(Br)c1 2004161846 FQPKBOCNDCPMKY-UHFFFAOYSA-N 316.264 3.273 10 10 DGCE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC(N=[N+]=[N-])C2)cc1 1985106292 XYGYGTOFISUXIW-UHFFFAOYSA-N 317.349 3.168 10 10 DGCE CN1C[C@H]2CC[C@H]1[C@@H](NCc1cc(Cl)cc(Cl)c1O)C2 401795016 HYCYJISKQKBZQE-HERUPUMHSA-N 315.244 3.271 10 10 DGCE COCCNCc1ccc(N2CCC[C@@H](F)C2)c(Cl)c1 689494373 MOMOWFDBAXGFEQ-CYBMUJFWSA-N 300.805 3.014 10 10 DGCE CCS[C@H]1CCN(c2ccc(CN)c(Br)c2)C1 383056918 PTKQDUGLILCZII-LBPRGKRZSA-N 315.280 3.240 10 10 DGCE CC(C)Cc1cc(N)n(Cc2cccc(Br)c2O)n1 2070168995 MQAKRVMFXBEHHL-UHFFFAOYSA-N 324.222 3.180 10 10 DGCE CCN1CCc2cc([C@H](NC)c3nc(Cl)cs3)ccc21 2196948785 KRRUKFHMCLUBQG-AWEZNQCLSA-N 307.850 3.488 10 10 DGCE Cc1oc(Br)cc1[C@H](N)c1ccc(N(C)C)cc1 2044708715 PMXWUSSRQSYCBV-CQSZACIVSA-N 309.207 3.465 10 10 DGCE CN1CCc2cc([C@H](O)c3ccoc3Br)ccc21 2044714731 QGFWGLVOVASTES-ZDUSSCGKSA-N 308.175 3.116 10 10 DGCE CNCc1ccc(N(C)[C@@H]2CC[C@@H]3C[C@@H]32)cc1Br 2046853001 GLSYNGDXEAYSCA-RIEGTJTDSA-N 309.251 3.403 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@@H]3C[C@@H]3[C@H]3C[C@@H]32)c(Br)c1 2053731588 XHJXOKOKMADWCO-DPXQDECBSA-N 308.219 3.347 10 10 DGCE CSc1ncc(CNCc2cn3cc(C)ccc3n2)s1 2208621001 SIOXKFGEUMGXNE-UHFFFAOYSA-N 304.444 3.111 10 10 DGCE [N-]=[N+]=N[C@@H]1CCN(C(=O)c2c(Cl)ccc(Cl)c2N)C1 2271323007 IUSTTZWRSQTQET-ZCFIWIBFSA-N 300.149 3.100 10 10 DGCE COc1ccc(O)c(CNC(=O)C=C(C)c2ccc(F)cc2)c1 2297574846 BUPNQURIZSZLRB-UHFFFAOYSA-N 315.344 3.260 10 10 DGCE COc1cc(OC)cc(N(C)C(=O)/C=C\c2cncc(C)c2)c1 491964196 MPMFCQVQRMBLPH-WAYWQWQTSA-N 312.369 3.083 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)Nc1nc2c(s1)CCCC2 2307987569 TYIWIWCLQZVYKR-UHFFFAOYSA-N 316.382 3.085 10 10 DGCE O=C1C(=Cc2ccncc2)C(C(F)(F)F)=NN1c1ccccc1 2332129622 WDUBKGYYCBNASE-UHFFFAOYSA-N 317.270 3.430 10 10 DGCE COCC[C@@H](C)N(C)Cc1ccc(C)c(Br)c1O 2327601666 BLKWJMKEDSPKIH-LLVKDONJSA-N 316.239 3.320 10 10 DGCE CC[C@@H](C)NC(=O)NCc1ccc(C)c(Br)c1O 2327632467 XTTFTJLGRTUQOE-SECBINFHSA-N 315.211 3.061 10 10 DGCE CC[C@H](c1cc(Br)ccc1O)N1CCC[C@@H](N)C1 217502961 IAVHJERMJFDJHK-DGCLKSJQSA-N 313.239 3.029 10 10 DGCE CCN[C@H]1C(=O)Nc2cc(N(CC)Cc3ccccc3)ccc21 302869401 TXCFWFJZIZSAJB-GOSISDBHSA-N 309.413 3.316 10 10 DGCE CCCCN1C(=O)C2(CCCCC2)N[C@@H]1c1ccccc1O 78768472 RHRHCQHRSJYLCR-INIZCTEOSA-N 302.418 3.326 10 10 DGCE COc1cccc(/C=C2/SC(=S)N(C(C)C)C2=O)c1O 33712998 USJZPPKZJGFWOK-YRNVUSSQSA-N 309.412 3.010 10 10 DGCE Cc1nc2ccc(C(=O)O)cn2c1/N=N\c1cccc(C(=O)O)c1 71592457 BXAWRXUWVMMCSL-HNENSFHCSA-N 324.296 3.455 10 10 DGCE COc1cc(OC)c(N2CCC[C@@H](NC(C)C)C2)cc1Cl 71198065 UCWVOPQEVPJIAS-GFCCVEGCSA-N 312.841 3.324 10 10 DGCE COc1ccc(CNCc2nc3ccccc3s2)c(O)c1 40905942 QOXHZRYZYBSILJ-UHFFFAOYSA-N 300.383 3.300 10 10 DGCE COc1ccc(N2CCN(C(=O)c3cc(C)cs3)CC2)cc1 82320286 FXGCENWJIPFJPS-UHFFFAOYSA-N 316.426 3.028 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](NCc2cccc(F)c2O)C1 382490598 CTHWMNCDCRZJMA-QWHCGFSZSA-N 324.396 3.067 10 10 DGCE CCOC(=O)[C@H](CN=[N+]=[N-])Nc1ccc(Br)cc1 91314473 WAULQQJPDHIKET-JTQLQIEISA-N 313.155 3.103 10 10 DGCE Cc1cc(O)ccc1NS(=O)(=O)/C=C\c1ccc(F)cc1 255914185 SWUNVOZBIFAKDB-HJWRWDBZSA-N 307.346 3.252 10 10 DGCE O=C(O)[C@H]1CCCCCC[C@@H]1NCc1ccc2c(c1)CCO2 277281539 MAVLENHVAUTZKT-HOTGVXAUSA-N 303.402 3.135 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCOC[C@@H]1C 802304661 JGRYFCCKJNAKMH-GOEBONIOSA-N 320.433 3.129 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCC[C@H](CCO)CC2)cc1 817419640 VQKXQLINIAYUAE-AJNOYIKESA-N 302.462 3.250 10 10 DGCE COc1cccc(CNc2cncc(Br)c2C)c1O 722753140 WYSJUGIRKVKUPS-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE CC(C)OC(=O)[C@H](C)N(C)C/C=C\c1ccc(N(C)C)cc1 835028166 JMMVZBIKRGXCFF-LZNQSLFOSA-N 304.434 3.038 10 10 DGCE Cc1ccc(CC[C@@H](C)NCc2cc([N+](=O)[O-])ccc2O)o1 742380194 MAZNSWDUJDAXDT-LLVKDONJSA-N 304.346 3.313 10 10 DGCE Cc1cc(Cl)cc(CN2CCCC[C@@H]2[C@H]2CCNC2)c1O 841086266 GWMRLOOMHJDTEW-XJKSGUPXSA-N 308.853 3.318 10 10 DGCE Cc1ccc(O[C@H]2CCN(Cc3cc(Cl)ccc3O)C2)nc1 858010710 FKEGSIABYVQBOM-HNNXBMFYSA-N 318.804 3.402 10 10 DGCE CC[C@H](CC(C)C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855222824 AZUDLAYSFOBQRU-HZPDHXFCSA-N 318.461 3.462 10 10 DGCE CC1(N2CCC2)CCC(N[C@H]2CCc3cccc(O)c32)CC1 927037280 MLLXXJFBPLSHOR-WUJZJPHMSA-N 300.446 3.376 10 10 DGCE CC[C@H](N[C@@H]1CCN(C2CCC2)C1=O)c1cc(Cl)ccc1O 858603956 YIJHLQWZRRHHEY-LSDHHAIUSA-N 322.836 3.240 10 10 DGCE C[C@H](CNCc1cc(F)c(N(C)C)cc1F)c1ccccn1 858188043 PZDFRUYHWNWDPO-GFCCVEGCSA-N 305.372 3.319 10 10 DGCE COc1cccc(CN[C@H](c2ccccc2)[C@H](O)C(C)C)c1O 850395779 YSLMYPRHNKKIAC-QZTJIDSGSA-N 315.413 3.249 10 10 DGCE COc1ccc2ccc(O)c(CN3CC[C@@H]4COC[C@H]4C3)c2c1 853586649 VTJKDPBAAZVXIK-HUUCEWRRSA-N 313.397 3.022 10 10 DGCE COC(=O)c1ccc(O)c([C@H](C)NCC[C@@]2(C)CC2(F)F)c1 850535767 BEXUXLAUHMKTKM-BONVTDFDSA-N 313.344 3.265 10 10 DGCE CN(C)c1ccc(CNC(=O)C(F)(F)c2ccccc2F)cc1 765544171 LYGXAORTWZMLAG-UHFFFAOYSA-N 322.330 3.300 10 10 DGCE CC[C@@H](CNC(=O)OC(C)(C)C)NCc1c(C)cccc1O 1958786041 GXXKMYPAJFLWMW-ZDUSSCGKSA-N 308.422 3.094 10 10 DGCE FC(F)(F)CCSCCNCc1ccc2c(c1)CCO2 865788540 VEHRERZIWMAPSC-UHFFFAOYSA-N 305.365 3.397 10 10 DGCE CCN(CC)c1ccc(CNC(=O)N2CC[C@H](C)[C@@H](F)C2)cc1 778620277 JCPSHWLOCRADRQ-YOEHRIQHSA-N 321.440 3.422 10 10 DGCE Cc1cc(CN(C)c2ccc(CO)c(Br)c2)ccn1 705505837 LAIAYGPMSZVDFL-UHFFFAOYSA-N 321.218 3.281 10 10 DGCE C[C@@H]1C[C@@H](NCc2cc(Br)cc(F)c2O)[C@@H]1C 715826781 JFYVYDVAWMGADL-DNSOKLHBSA-N 302.187 3.428 10 10 DGCE CCNCc1cc(F)c(N(C)C[C@H]2CCSC2)c(F)c1 718284991 TTXDAIKCBBXSIA-LLVKDONJSA-N 300.418 3.264 10 10 DGCE O=C(/C=C/COc1ccccc1)NCc1cccc(Cl)c1O 1159041507 PXQMTTOBJGSLOZ-BJMVGYQFSA-N 317.772 3.297 10 10 DGCE COc1ccc2cc(C(=O)NCc3cc(C)ccc3O)[nH]c2c1 1301046483 CKDPDPNZKKYDGC-UHFFFAOYSA-N 310.353 3.121 10 10 DGCE C[C@@H](NC(=O)Cc1c[nH]c2ccc(F)cc12)c1ccccc1O 1171723129 MXDAIHKSPVWDHG-LLVKDONJSA-N 312.344 3.433 10 10 DGCE CO[C@@]1(C)C[C@H](NCc2cc(F)cc(C(C)=O)c2O)C1(C)C 1170386299 NDGBCNBLAOQZRF-YOEHRIQHSA-N 309.381 3.027 10 10 DGCE O=C(NCc1c(O)cccc1F)[C@@H]1Cc2ccc(Cl)cc21 1178413277 PSQOGKVCLITUMP-GFCCVEGCSA-N 305.736 3.141 10 10 DGCE C[C@H](NC(=O)COC/C=C/c1ccccc1)c1ccccc1O 1171730240 MTYBWCIBFXAIPZ-VSGCLNPGSA-N 311.381 3.299 10 10 DGCE O=C(O)C=Cc1ccc(N2CC[C@@H]3C[C@@H]32)cc1Br 1912069655 UPVITVWDEWMOPL-MFKMUULPSA-N 308.175 3.146 10 10 DGCE [N-]=[N+]=N[C@H]1CCN(C(=O)c2ccc(Br)s2)C1 1912154286 LMIZEOUENLKNDH-LURJTMIESA-N 301.169 3.035 10 10 DGCE CC(C)(O)CCN(Cc1ccccc1)c1ccc(CO)cc1F 1915628033 BQPQJILRIPJTAI-UHFFFAOYSA-N 317.404 3.486 10 10 DGCE COc1cccc(NC(=O)c2ccc(N=NC(N)=O)cc2)c1C 1453439217 MCJOROHMIZZETR-UHFFFAOYSA-N 312.329 3.418 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)cc1 1299887382 RZKOATBGYFPVQG-HOCLYGCPSA-N 322.368 3.383 10 10 DGCE O=C(NCc1c(O)cccc1O)[C@@H]1CC[C@@H](c2ccccc2)C1 1472063111 CWGGYZQIAZEHGJ-HUUCEWRRSA-N 311.381 3.298 10 10 DGCE O=C(NCc1ccc(F)cc1)c1cc2cc(O)c(O)cc2s1 1628281136 SZWRTOOWTZQSGX-UHFFFAOYSA-N 317.341 3.382 10 10 DGCE CSc1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)cn1 1627884387 GOSBIFUBYDYWBJ-UHFFFAOYSA-N 315.358 3.218 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCC2CSC2)c1 1556607799 RHJXLEINAQLJRD-UHFFFAOYSA-N 314.454 3.495 10 10 DGCE CNc1cc(Cl)ccc1C(=O)NCc1ccc(OC)cc1O 1568098203 WJNGKLUOEGEASC-UHFFFAOYSA-N 320.776 3.026 10 10 DGCE CC(C)(C)OC(=O)N[C@H]([C@H](N)c1ccccc1O)C(C)(C)C 1928468890 BGFLCXVBLAERCQ-ZIAGYGMSSA-N 308.422 3.331 10 10 DGCE C/C(=C/c1ccccc1Cl)C(=O)NCc1c(O)cccc1O 1639292622 KRFJXRAQMOOKDG-LUAWRHEFSA-N 317.772 3.471 10 10 DGCE CCOc1cccc(/C=C\C(=O)NCc2c(O)cccc2F)c1 1638866658 IGPGWKLSVDZZNX-KTKRTIGZSA-N 315.344 3.260 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2ccc(C)c3cccnc23)c1 1640800922 XXBWZUULNCJQKW-UHFFFAOYSA-N 306.365 3.487 10 10 DGCE Cc1nc(-c2cccnc2)nc(NCc2cc(O)ccc2O)c1C 1651380772 JLYGHHUUMFFFHM-UHFFFAOYSA-N 322.368 3.179 10 10 DGCE CC(C)Cc1c[nH]c(C(=O)NCc2ccc(N(C)C)c(F)c2)c1 1583753547 WXRFEBQISZEDCR-UHFFFAOYSA-N 317.408 3.348 10 10 DGCE CCc1ccccc1OCC(=O)NCc1cc(Cl)ccc1O 1583816878 NFWDSVXCCVPDPK-UHFFFAOYSA-N 319.788 3.303 10 10 DGCE CN(CCCCc1ccccc1)C(=O)Cc1ccc(O)c(O)c1 1596467810 XZWNWGATFDMULS-UHFFFAOYSA-N 313.397 3.122 10 10 DGCE Cc1ccc(O)c(CNC(=O)NC[C@@H]2C[C@H]2C2CCCC2)c1 1685785173 HGJMUYGMJIMMIL-HOCLYGCPSA-N 302.418 3.326 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC1C[C@H]2C[C@@H]2C1 1683295823 QFQXGSHRKHWIOS-HZPDHXFCSA-N 313.445 3.227 10 10 DGCE COCCN(Cc1cc(Br)cc(C)c1O)C(C)C 160971831 BPAOBDRKYIFYMU-UHFFFAOYSA-N 316.239 3.320 10 10 DGCE OC1C[C@@H]2CC[C@@H](C1)N2c1ccc(CNC2CC2)cc1Cl 164085868 OERDHDFECLJANQ-KBPBESRZSA-N 306.837 3.084 10 10 DGCE CCc1cc2c(Sc3nccs3)nc(NN)nc2s1 234257541 QBEDMDVBDFEOFQ-UHFFFAOYSA-N 309.445 3.147 10 10 DGCE CC(C)(C)OC(=O)N1CC(=O)C[C@H]1c1ccc(Cl)cc1O 1951948427 OOVZQLGSYDNUPW-LBPRGKRZSA-N 311.765 3.297 10 10 DGCE CN(Cc1ccc(N)cc1)C(=O)c1cc(Cl)nc(Cl)c1 2148888595 HAPZPPRCECWAAY-UHFFFAOYSA-N 310.184 3.243 10 10 DGCE CN(Cc1ccc(N)cc1)C(=O)c1ccc(Cl)nc1Cl 2148901621 SGXGVPPYJLIGHK-UHFFFAOYSA-N 310.184 3.243 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCC[C@@H](C2CNC2)C1 2149012517 KGXLOWWVFFGPFR-SNVBAGLBSA-N 315.244 3.130 10 10 DGCE C[C@H](N)c1cc(F)c(N(Cc2ccccc2)[C@H](C)CO)c(F)c1 1990440672 TUMLQWDAMOOCBC-OLZOCXBDSA-N 320.383 3.372 10 10 DGCE CC[C@H](C)[C@@H](NCc1cc(Cl)cc(Cl)c1O)C(=O)OC 37103118 UIGDVFOJCVGSRB-QPUJVOFHSA-N 320.216 3.376 10 10 DGCE C[C@H](N(C)c1ccc(CO)c(Br)c1)C(C)(F)F 2009084970 NDPSDOVHUOMJAE-QMMMGPOBSA-N 308.166 3.421 10 10 DGCE C[C@@H](F)[C@H]1CCCN1c1ccc(CO)c(Br)c1 2010502874 YHHSFYAZNOJQJQ-NOZJJQNGSA-N 302.187 3.268 10 10 DGCE C[C@H](F)[C@H]1CCCN1c1ccc(CO)c(Br)c1 2010502879 YHHSFYAZNOJQJQ-TVQRCGJNSA-N 302.187 3.268 10 10 DGCE CC(C)(C)OC(=O)NCC1(CCNCc2ccccc2O)CC1 404588856 PDSFMVHIWXLIMK-UHFFFAOYSA-N 320.433 3.177 10 10 DGCE Cc1ccc(O)c(CNCCC(C)(C)NC(=O)OC(C)(C)C)c1 405921870 HFCAYFIGUBJNJU-UHFFFAOYSA-N 322.449 3.484 10 10 DGCE CN1C[C@H]2CN(Cc3cc(Cl)cc(Cl)c3O)C[C@@]2(C)C1 702435211 LOOUAFMLEDJQLL-XHDPSFHLSA-N 315.244 3.083 10 10 DGCE CNCc1cc(F)c(N(C)CC2CCSCC2)c(F)c1 718290433 MLPKNDBIOFGHIN-UHFFFAOYSA-N 300.418 3.264 10 10 DGCE COCC(C)(C)CCNCc1cc(Cl)cc(OC)c1O 718693145 FSKJJIZDKFBXFF-UHFFFAOYSA-N 301.814 3.207 10 10 DGCE COC(=O)c1cc(CC(C)C)nn1[C@H](C)c1ccc(C)cc1O 2069999184 SFOFLXCFFCQBBS-CYBMUJFWSA-N 316.401 3.492 10 10 DGCE Oc1cccc(Br)c1Cn1ccc(C(F)(F)F)n1 2070091242 CPROBWRPKVMEIA-UHFFFAOYSA-N 321.096 3.418 10 10 DGCE Oc1ccc(Br)cc1CNC[C@H]1C[C@H]1C(F)(F)F 2041785486 WNBDPYKQQXJIQN-GMSGAONNSA-N 324.140 3.443 10 10 DGCE Nc1ccc(CCNc2ccc(N)cc2Br)cc1 2071653832 IALSLTZJRRVRIT-UHFFFAOYSA-N 306.207 3.268 10 10 DGCE CC[C@H](O)CN(Cc1ccccc1)c1ccc(OC)cc1OC 2210910620 ULTTVGXQHGIGHS-INIZCTEOSA-N 315.413 3.481 10 10 DGCE CN[C@@H](C)c1ccc(N2Cc3conc3C2)c(Br)c1 2104150868 QLMPWWMGQWJJGR-VIFPVBQESA-N 322.206 3.238 10 10 DGCE C[C@H](O)c1ccc(N2C[C@@](C)(F)[C@](C)(Br)C2)cc1 2084856242 MHTSCFLNRSVBCM-ZLKJLUDKSA-N 316.214 3.442 10 10 DGCE C[C@]1(CNCc2cc(Cl)cc(Cl)c2O)CCC[C@@H]1O 2271306352 RMJFOVSQQHIMLQ-GXTWGEPZSA-N 304.217 3.340 10 10 DGCE COc1c(C)cnc(CNCc2cnc(SC)s2)c1C 2284507574 MKCIJHGCWQXJPU-UHFFFAOYSA-N 309.460 3.175 10 10 DGCE CCOC(=O)[C@@H]1CCC[C@H](NCc2cnc(SC)s2)C1 2284689534 OCLQPUDNMZGRJV-MNOVXSKESA-N 314.476 3.077 10 10 DGCE CN[C@@H](C)c1ccc(N2CC(c3nncs3)C2)c(Cl)c1 2285446616 CZBGJSVQSOXZGI-VIFPVBQESA-N 308.838 3.076 10 10 DGCE Cc1ccc(CN=c2ccc(F)c[nH]2)c(O)c1Br 2327596518 ZZVSJLQFWMJMDD-UHFFFAOYSA-N 311.154 3.031 10 10 DGCE Cc1ccc(CN(C)C(=O)c2ccoc2)c(O)c1Br 2352950198 PCCMRJOLIUUUQC-UHFFFAOYSA-N 324.174 3.328 10 10 DGCE COC(=O)/C=C/c1ccc(N2Cc3ccccc3C2)c([N+](=O)[O-])c1 106065897 DXTZAOHASKRBBR-VQHVLOKHSA-N 324.336 3.301 10 10 DGCE CN(C[C@@H]1CCCOC1)c1ccc(CN)c(C(F)(F)F)c1 111153709 SXYIMLKSLXTUCY-NSHDSACASA-N 302.340 3.027 10 10 DGCE C[C@@H](C(=O)NCc1c(O)ccc2c1CCCC2)c1cccnc1 174077520 ZYXSKJUMIRILGF-CYBMUJFWSA-N 310.397 3.086 10 10 DGCE C[C@@H](Nc1ccc(Cl)c(C(N)=O)c1)c1ccc(O)cc1O 37046119 SXNLDHZKSAHSHP-MRVPVSSYSA-N 306.749 3.023 10 10 DGCE CCN(C)c1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1 33586191 XPFXEMBGPIGRBN-LGMDPLHJSA-N 306.365 3.487 10 10 DGCE Cc1ccc(O)c([C@H](C)NCC[C@@H]2C(=O)Nc3ccccc32)c1 185878048 GIGJCYNMJHDDFG-ZFWWWQNUSA-N 310.397 3.477 10 10 DGCE C[C@@H](N)c1ccc(N2CC[C@@H]3[C@@H](CCCN3C)C2)c(Cl)c1 220913599 XDJOCNJMBOCPLG-IVMMDQJWSA-N 307.869 3.280 10 10 DGCE CCN[C@H]1C(=O)Nc2cc(N3CC[C@@H](CC)C3)c(Cl)cc21 228733801 WNGZKENLXFSVNR-MEBBXXQBSA-N 307.825 3.179 10 10 DGCE Cc1ccc([C@@H]2CN(Cc3ccc(N(C)C)cc3)CCO2)o1 93864555 WIFQLKLSCHOFOA-SFHVURJKSA-N 300.402 3.228 10 10 DGCE Cc1ccnc(C)c1NC(=O)NCc1ccc(N2CC=CC2)cc1 287623603 UJVNIHSGXAXLJY-UHFFFAOYSA-N 322.412 3.396 10 10 DGCE O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1C[C@H]1C1CC1 805425153 KZOFERDMXGIPFO-CMPLNLGQSA-N 315.200 3.297 10 10 DGCE [N-]=[N+]=NCCCNC(=O)/C=C\c1ccccc1Br 701339226 ZJROPSOKTFGPFX-SREVYHEPSA-N 309.167 3.279 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1CCCC1(F)F 807597352 ZXQRMQQLBYZSIE-HNNXBMFYSA-N 324.371 3.258 10 10 DGCE Cc1oc(C2CC2)nc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 803121301 PFJOIBVPSASCQK-NSHDSACASA-N 313.401 3.417 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCO[C@@H](C(F)F)C1 802655336 ULTNOSJYJAXVCO-SNVBAGLBSA-N 312.143 3.165 10 10 DGCE Cc1cc(Cl)cc([C@H](C)NCC[C@@H](C)[S@@](C)=O)c1O 808706797 VCDXELMWIKGAAT-RMDKCXRXSA-N 303.855 3.162 10 10 DGCE COc1cc(Br)cc([C@@H](N)c2cccs2)c1O 725274930 FCIWDFUNOHVQGT-LLVKDONJSA-N 314.204 3.273 10 10 DGCE C[C@@H](COc1c(F)cccc1F)NCc1cc(F)ccc1O 827106116 OTKVRPYTEZRLFW-JTQLQIEISA-N 311.303 3.367 10 10 DGCE C[C@H](NC[C@H]1CC[C@@H](C(F)(F)F)O1)c1c(O)cccc1F 903176584 QOKTVZBHBKXICI-SBMIAAHKSA-N 307.287 3.292 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)c2[nH]ccc2C2CC2)c1 837485646 PSKUSRGGNOOZCM-SNVBAGLBSA-N 300.358 3.097 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@@H](C)Cc2ccn(C(C)C)n2)c1 845973092 XAYNPNWYUCMRFI-KBPBESRZSA-N 317.433 3.460 10 10 DGCE C[C@@H](N[C@H]1CNc2ccccc2C1)c1cc(F)cc(F)c1O 844920868 NQVCRIWQRDKKSU-ZWNOBZJWSA-N 304.340 3.358 10 10 DGCE C[C@H]1CCN(Cc2ccccc2O)C[C@@H]1C(=O)OC(C)(C)C 843414538 HXFCHFJBMMHOAT-ZFWWWQNUSA-N 305.418 3.192 10 10 DGCE COc1ccc(N2CC[C@H](COC(=O)/C=C\C3CC3)C2)cc1 842880025 VPZSMLOHALLMGB-NOKKCYSASA-N 301.386 3.031 10 10 DGCE COc1cccc([C@H](C)N[C@@H]2COc3ccc(F)cc3C2)c1O 846173319 RBNRFVOOALFJGD-FZMZJTMJSA-N 317.360 3.194 10 10 DGCE C[C@@]1(c2cccc(F)c2)CCN(C(=O)Cc2ccc(N)cc2)C1 846691185 VDERVQSLOOLBPN-LJQANCHMSA-N 312.388 3.141 10 10 DGCE COc1ccc(N2CCCN(C[C@H]3C[C@@H]4C[C@@H]4C3)CC2)cc1 851732949 DYJFXWDVBFDGNB-BJWYYQGGSA-N 300.446 3.253 10 10 DGCE CCOc1cccc(CN(CCCN)c2ccccc2F)c1O 753590323 LNSGMSLPPSVRKM-UHFFFAOYSA-N 318.392 3.285 10 10 DGCE O=C(O)/C=C\c1ccc(N2CC[C@@H]3C[C@@H]3C2)cc1Br 699271828 HGZZWFMHMFALAI-DNDCWNJCSA-N 322.202 3.393 10 10 DGCE COC[C@H](CN(Cc1cccs1)c1ccc(OC)cc1)OC 851835959 JMVNRTPGUXACDI-INIZCTEOSA-N 321.442 3.425 10 10 DGCE CC(C)N1CCC(Nc2c(N)cccc2Br)CC1 697487401 SYJMEYLRNVKNRR-UHFFFAOYSA-N 312.255 3.316 10 10 DGCE CN(C[C@@H]1C[C@H]2COC[C@@H]2O1)c1ccc(-c2nccs2)cc1 930709815 IJDPOEDNKYMSGC-BPUTZDHNSA-N 316.426 3.050 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)OCCC(F)(F)F 866797259 QZUMTQOCANQUEV-UHFFFAOYSA-N 304.312 3.240 10 10 DGCE CCN(CC)c1ccc(CN[C@H](CO)c2ccsc2)cc1 769934646 NFJGKELLXPGMSW-QGZVFWFLSA-N 304.459 3.418 10 10 DGCE C/C=C\C[C@@H]1CCCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 863820394 YEMFOPBBBSQJIW-MJCLHDTHSA-N 301.386 3.316 10 10 DGCE CCOC(=O)C1=CC[C@@H](NCc2ccc3ccccc3c2O)C1 862489060 YLALQAYUBHQHOT-MRXNPFEDSA-N 311.381 3.287 10 10 DGCE C[C@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)C[C@@H]1F 779148660 IGQAXMKOBQIAML-KWQFWETISA-N 302.733 3.134 10 10 DGCE C[C@H]([C@H](N)c1ccc(N(C)C)cc1)N(C)C(=O)OC(C)(C)C 1959563316 ZOBBRQCFNGQQJD-DOMZBBRYSA-N 307.438 3.008 10 10 DGCE CCOC(=O)CC1(NCc2ccc(OC)c(C)c2)CCCC1 789780278 USFVJKHIYHVQRU-UHFFFAOYSA-N 305.418 3.359 10 10 DGCE CCOC(=O)[C@H](C)N(Cc1cc(Cl)cc(C)c1O)C1CC1 787439305 CRSGYOXVEONEFR-NSHDSACASA-N 311.809 3.270 10 10 DGCE Nc1ccc(Cc2nccn2Cc2ccc([N+](=O)[O-])cc2)cc1 82734799 ORBBUSXRGXXDDD-UHFFFAOYSA-N 308.341 3.013 10 10 DGCE C[C@@H]1CN(c2ccc(CN)c(Cl)c2)C[C@@](C)(C(F)F)O1 705115895 HHHXTEHAXCLBNH-OTYXRUKQSA-N 304.768 3.048 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1 705958847 TXTXZAIGMNGUTO-AHRSYUTCSA-N 321.468 3.275 10 10 DGCE Cc1ccnc(CNCc2ccc(Br)cc2O)c1 691443596 ITCJFFNABRKKDB-UHFFFAOYSA-N 307.191 3.148 10 10 DGCE COC(=O)c1cncnc1/C=C\c1ccc(N2CCCCC2)cc1 790608793 GKMFSGSNIUUEMH-YFHOEESVSA-N 323.396 3.424 10 10 DGCE CN1CCc2cc(CN(CCC(=O)O)Cc3ccccc3)ccc21 692414270 GYCFMWDQTWLQAW-UHFFFAOYSA-N 324.424 3.156 10 10 DGCE [N-]=[N+]=N[C@H]1CCN(C(=O)c2ccc(Br)cc2F)C1 1912171082 GHAYBFCTNWVSRN-QMMMGPOBSA-N 313.130 3.113 10 10 DGCE Cc1ccc(CCC(=O)NCc2cc(O)ccc2O)cc1Cl 1303223254 HNNSWJUMFQSHOZ-UHFFFAOYSA-N 319.788 3.309 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)C(F)=C2CCCC2)cc1 1437380581 MPKBZYFVKDRQQW-UHFFFAOYSA-N 320.408 3.387 10 10 DGCE Cc1cc(CCNC(=O)[C@H]2C[C@H]2F)c(C)n1-c1ccccc1 1438176276 DOOHLKMUNZXHHR-DLBZAZTESA-N 300.377 3.111 10 10 DGCE C[C@@H](N)c1ccc(N(Cc2ccccc2)[C@H](C)CCO)cc1O 1915401813 XTYCZHPQQLZSND-HUUCEWRRSA-N 314.429 3.189 10 10 DGCE Cc1ccc(O)c(CNc2cc(Cl)nc3cc(C)nn23)c1 1472835498 ALZTWRAXSUXVRQ-UHFFFAOYSA-N 302.765 3.317 10 10 DGCE CC(C)n1ccnc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 1633315782 WSKGABACYXZGSH-CYBMUJFWSA-N 300.406 3.021 10 10 DGCE O=C(CCc1cc(Cl)cs1)NCc1cc(O)ccc1O 1637126450 ZBJJLBULNAELQC-UHFFFAOYSA-N 311.790 3.062 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2cnn(-c3ccccc3C)c2)c1 1633283121 VALWJHUIJITLAA-UHFFFAOYSA-N 321.380 3.125 10 10 DGCE CC/C(C)=C\C(=O)N(C)CCCNCc1ccc(OC)c(C)c1 1569199453 LDZMRRJEBVGZOZ-QINSGFPZSA-N 318.461 3.298 10 10 DGCE CC(C)(C)c1coc(NC(=O)c2ccc(N=NC(N)=O)cc2)n1 1637317258 VJOPKRZHSKCJBU-UHFFFAOYSA-N 315.333 3.387 10 10 DGCE COc1ccc(CNCCCN(C)C(=O)C2=CCCC2)cc1C 1733097241 OPZYJWIMAQUHIS-UHFFFAOYSA-N 316.445 3.052 10 10 DGCE C[C@H](NCc1cc(=O)oc2cc(O)ccc12)c1ccccc1O 1654532284 MWFAZNWPTPUPCW-NSHDSACASA-N 311.337 3.055 10 10 DGCE COc1cccc(CNC(=O)NCC2C[C@H](C)C[C@@H](C)C2)c1O 1682577658 DFIYAERAPFPPFZ-CHWSQXEVSA-N 320.433 3.272 10 10 DGCE CCNCc1ccc(N(C)[C@@H]2CCOC2)c(C(F)(F)F)c1 160126476 BDEMPSBTXVBBKN-GFCCVEGCSA-N 302.340 3.040 10 10 DGCE COCC1CCN(c2ccc(CN)cc2C(F)(F)F)CC1 163721006 BTDDQTAUTUFGPE-UHFFFAOYSA-N 302.340 3.027 10 10 DGCE Cc1noc([C@@H](N[C@H](C)c2ccc(N(C)C)cc2)C(C)C)n1 167967237 HNJQVNIDPZSMCI-WBMJQRKESA-N 302.422 3.492 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@]1(C)[C@@H](N)c1ccccc1O 1936969619 ZWACMFNKMIYFTB-MRAWALMUSA-N 320.433 3.285 10 10 DGCE CN[C@H](c1ccccc1O)[C@@H](CC1CC1)NC(=O)OC(C)(C)C 1936977568 WXDPLFHBLCODDU-GDBMZVCRSA-N 320.433 3.346 10 10 DGCE CCCOC(=O)c1ccc(/N=N/N(C)CCC(=O)OCC)cc1 1860482051 HHANJEPABQFDDV-ISLYRVAYSA-N 321.377 3.137 10 10 DGCE CCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C/c1cccn1C 1865670562 GGBRZOGDYCEKRN-FOWTUZBSSA-N 309.369 3.230 10 10 DGCE O=C(CCNCc1cc(Cl)ccc1O)OC1CCCCC1 1857870207 JFGYQWZALQSSDC-UHFFFAOYSA-N 311.809 3.401 10 10 DGCE CNCc1ccc(N(C)[C@@H]2CCSC2)cc1C(F)(F)F 167355495 BCEWHDWDOPETNA-GFCCVEGCSA-N 304.381 3.367 10 10 DGCE CC(C)(C)OC(=O)N(CCNCc1c(O)cccc1F)C1CC1 1976877401 OIAADEZSTYGMBM-UHFFFAOYSA-N 324.396 3.020 10 10 DGCE Cc1cccc(O)c1CN[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 1976877548 QIRBLNYFPJLAIE-KBPBESRZSA-N 320.433 3.236 10 10 DGCE NCc1ccc(N2CCO[C@H](c3cccs3)C2)cc1Cl 2171855982 VYGRRHOHMDOQCF-AWEZNQCLSA-N 308.834 3.438 10 10 DGCE COc1ccc(NCc2c(O)cccc2Br)cc1O 706834260 QEWGWMRJSVRQJX-UHFFFAOYSA-N 324.174 3.481 10 10 DGCE CCOC[C@@H]1CCCN1Cc1c(O)cccc1Br 707164303 TYUATXDZORYZJN-NSHDSACASA-N 314.223 3.156 10 10 DGCE Cn1cnc2sc(CNCc3c(O)cccc3Cl)cc21 2175266811 NSRWSWILYRVNAV-UHFFFAOYSA-N 307.806 3.284 10 10 DGCE CC(C)c1cc(C(=O)N(C)C)n([C@@H](C)c2ccc(F)cc2O)n1 2070083688 HUWXJURLGCJAGM-NSHDSACASA-N 319.380 3.162 10 10 DGCE CC(C)c1cc(C(=O)N(C)C)n(Cc2ccc(Cl)cc2O)n1 2070092316 WCHNKZAGLZRUTH-UHFFFAOYSA-N 321.808 3.116 10 10 DGCE C[C@@H](NCc1cccc(Br)c1O)c1cncs1 897933990 CKDKZWLSWISQAB-MRVPVSSYSA-N 313.220 3.462 10 10 DGCE Cc1ccc([C@@H](C2CC2)n2nc(C)c(CO)c2Cl)c(O)c1 2079126535 ZMADIUYTUYBEGR-OAHLLOKOSA-N 306.793 3.351 10 10 DGCE CCN[C@H](C)c1cnc(Sc2nnc(CC)s2)s1 2041814890 LKLZWIMAEJPAEO-SSDOTTSWSA-N 300.478 3.379 10 10 DGCE C[C@H](N)c1ccc(N2CC[C@H](c3nncs3)C2)c(Cl)c1 2196548086 IKAPLZTWLWQPNJ-ONGXEEELSA-N 308.838 3.205 10 10 DGCE CN(Cc1ccc(Cl)s1)c1ccc(CO)c([N+](=O)[O-])c1 2188573609 ICTMLIKALLBFDU-UHFFFAOYSA-N 312.778 3.438 10 10 DGCE CN[C@H](c1ccc(OC)c(Br)c1)c1ccccc1O 2090039021 CKMPISYJKUHLHZ-OAHLLOKOSA-N 322.202 3.472 10 10 DGCE Cc1cc(N(C)Cc2cc(Br)co2)ccc1CCN 2113579880 SQOUGYNNXFGRDH-UHFFFAOYSA-N 323.234 3.488 10 10 DGCE C[C@@H](N)c1ccc(N2CC[C@@H](OC(F)(F)F)C2)c(Cl)c1 2238903746 HKMQTWZPPJEFCZ-PSASIEDQSA-N 308.731 3.475 10 10 DGCE CSc1ncc(CN[C@@H]2CCC[C@@H]3CSC[C@H]32)s1 2257098620 CVYYIAVRRBIFCZ-YUSALJHKSA-N 300.518 3.486 10 10 DGCE C[C@H](N)Cc1cnc(Sc2nc3cccnc3s2)s1 2268594635 GULFDZPYSHLROD-ZETCQYMHSA-N 308.457 3.189 10 10 DGCE COc1cccc(N(CC(C)C)C(=O)/C=C/c2cnccn2)c1 491120017 QAPLSQSVMIDJAD-BQYQJAHWSA-N 311.385 3.188 10 10 DGCE CN[C@@H](C)c1ccc(N(CCF)CCF)cc1Br 2317588707 DUEXTLTVBZTFTG-JTQLQIEISA-N 321.209 3.475 10 10 DGCE COCCCCCN(C)Cc1ccc(Br)cc1O 2319969208 ZLAMYRREHKKMHZ-UHFFFAOYSA-N 316.239 3.403 10 10 DGCE CCCN1N=C(C)C(=Cc2ccc(OCC)c(OCC)c2)C1=O 2332106806 IFARUZKDVZVYSX-UHFFFAOYSA-N 316.401 3.496 10 10 DGCE CC[C@@H](N[C@H](C)C(=O)N1CCCCC1)c1ccc(N(C)C)cc1 178464688 XPONFCYUWDFAQZ-CRAIPNDOSA-N 317.477 3.194 10 10 DGCE CN[C@H]1C(=O)Nc2cc(N(Cc3ccccc3)C(C)C)ccc21 302868703 LUEQFQKGJWQFLS-GOSISDBHSA-N 309.413 3.314 10 10 DGCE COc1ccc(O)c(CNC(=O)C/C=C/c2cccc(F)c2)c1 176871136 QUHPLIZOJDBIES-HWKANZROSA-N 315.344 3.260 10 10 DGCE Cc1ccc(O)c([C@@H](C)NCC(=O)N2CCCc3ccccc32)c1 185192670 QBQFLOSYYLVXPM-OAHLLOKOSA-N 324.424 3.331 10 10 DGCE Cc1ccc(C(=O)Nc2cccc(N(C)C)c2C)c(O)c1O 182991556 BHHANKBVYPSUMM-UHFFFAOYSA-N 300.358 3.033 10 10 DGCE Nc1ccc(NC(=O)CC[S@@](=O)c2ccc(Cl)cc2)cc1 40960747 YGAFTROUOBRGRX-NRFANRHFSA-N 322.817 3.059 10 10 DGCE CCN1CC[C@H](N(C)Cc2ccc(N(C)C)c(F)c2)[C@H](C)C1 130483633 ZOUALUIBYYBDRT-PBHICJAKSA-N 307.457 3.054 10 10 DGCE COc1cc(OC)c2c(c1)O[C@@H](c1ccc(O)c(O)c1)CS2 40556674 XYPFLFRBRGMQGR-OAHLLOKOSA-N 320.366 3.341 10 10 DGCE CCOc1ccc(O)c(CN2CCO[C@H](c3ccc(C)o3)C2)c1 93865051 LLORYWWBZQGODY-SFHVURJKSA-N 317.385 3.266 10 10 DGCE Cc1ccc(O)c(CN2CC[C@@H](CNc3cccc(C)n3)C2)c1 92813336 CVFBACDGYRGMLB-INIZCTEOSA-N 311.429 3.338 10 10 DGCE CCOc1ccccc1NC(=S)NCc1cc(C)ccn1 240785079 AXHGPWXLFJVXMM-UHFFFAOYSA-N 301.415 3.275 10 10 DGCE COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cc(C)ccc1O 246195825 LOQUJGJCUYAUNT-BPUTZDHNSA-N 303.402 3.007 10 10 DGCE Cc1cn2c(n1)CN(Cc1ccc(N3CCCCC3)cc1)CC2 359898985 NSIWBARQYAXUSI-UHFFFAOYSA-N 310.445 3.198 10 10 DGCE CCOC1CC(CCNCc2cc(Cl)c(F)cc2O)C1 294750150 RKFMVPWWUGVHKT-UHFFFAOYSA-N 301.789 3.480 10 10 DGCE COc1ncc(/C=C\C(=O)N(C)c2ccccc2C(C)C)cn1 809390062 CFHMHVQZDLSRJE-KTKRTIGZSA-N 311.385 3.285 10 10 DGCE CN(CCC1CCOCC1)Cc1cc(Cl)c(F)cc1O 295448729 VCJNWXNLSGPARO-UHFFFAOYSA-N 301.789 3.433 10 10 DGCE CCOCc1nc([C@@H](C)N[C@@H](CC)c2ccc(F)cc2O)no1 290034569 DCQVDKYKMDZPJG-MFKMUULPSA-N 323.368 3.253 10 10 DGCE CC(C)(C)[C@@H](c1cc(F)cc(Cl)c1O)N1CCNCC1 575283617 CXIFJZCSJJFUAB-CQSZACIVSA-N 300.805 3.177 10 10 DGCE Cc1nc(CN[C@H]2CCc3cccc(O)c32)nc2ccccc12 834558228 CYZKPRHBJAYSMS-INIZCTEOSA-N 305.381 3.421 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCC[C@H](c3nccn3C)C2)cc1 835048023 DRHDQWLSVNRUGL-JXTAAOLFSA-N 324.472 3.379 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@@](C)(CO)c2ccccc2)cc1 835039081 GDWXKFGZLBORAT-AQWUKCDYSA-N 310.441 3.263 10 10 DGCE CCc1cccc(CN2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1O 848907408 CSWWCGBLTNZREC-ZRGWGRIASA-N 319.445 3.113 10 10 DGCE Cc1cc(O)c(CNCc2cccc3c2OCO3)c(Cl)c1 840880153 AXNQYVJLSGFKBQ-UHFFFAOYSA-N 305.761 3.373 10 10 DGCE CCCn1cc(CN[C@@H](C)Cc2ccc(N(C)C)cc2C)cn1 840977510 UZLAHDPVRYGWQC-INIZCTEOSA-N 314.477 3.388 10 10 DGCE C[C@@]1(CCNC(=O)NCc2c(O)cccc2F)C[C@]1(F)Cl 923067273 UNZIXCCVBFAOHI-ZIAGYGMSSA-N 318.751 3.035 10 10 DGCE COc1ccc(N2CC[C@H](N[C@@H]3CCC[C@@H]4C[C@@]43C)C2)cc1 850486128 GHSWOGSFENYNIN-OHQAAIJDSA-N 300.446 3.442 10 10 DGCE C[C@H](Nc1c(N)cccc1Br)[C@H]1C[C@H]2CC[C@H]1O2 697509203 YSIVAVDJBCSOOX-DCJFZGGZSA-N 311.223 3.399 10 10 DGCE C[C@H](NC(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccccc1O 868555528 KZYLBTMCSGXFAO-KNXALSJPSA-N 314.360 3.448 10 10 DGCE Cc1cc(C)cc(CS(=O)(=O)N[C@H](C)c2ccccc2O)c1 867834750 MCEAOWTUCNWXJE-CQSZACIVSA-N 319.426 3.190 10 10 DGCE CN1CCN(c2ccc(CN3C[C@@H]4CCCC[C@H]4C3)cc2)CC1 775698743 RZHCMPBSEYFECL-OALUTQOASA-N 313.489 3.060 10 10 DGCE CC(C)(C)OC(=O)NCCC1CC(Nc2ccc(N)cc2)C1 1959368803 WVKRXSJRFUSMDR-UHFFFAOYSA-N 305.422 3.374 10 10 DGCE COc1cc2c(cc1F)CN(Cc1cccc(C)c1O)CC2 777440011 CLBVMWJORMFNCP-UHFFFAOYSA-N 301.361 3.407 10 10 DGCE COc1cccc(CN[C@H](C)COCc2ccccc2)c1O 390575071 VTSAHVBUKHCSIQ-CQSZACIVSA-N 301.386 3.096 10 10 DGCE C[C@H](NC[C@H](C)N(C)Cc1ccccc1)c1c(O)cccc1O 390547650 VUIZFDKNUUWAHU-GJZGRUSLSA-N 314.429 3.269 10 10 DGCE O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@H](C2CC2)C1 897266620 NNTFUPMWAYMQPA-SNVBAGLBSA-N 303.383 3.185 10 10 DGCE COc1ccc(CN[C@@H]2CCc3cnn(C(C)C)c3C2)cc1C 790994623 AARQVHNSKXVEOG-QGZVFWFLSA-N 313.445 3.428 10 10 DGCE CC(=O)c1cc(NC(=O)NCc2c(O)cccc2F)ccc1C 1219279802 BETFDEBPYLVLHG-UHFFFAOYSA-N 316.332 3.364 10 10 DGCE COC(=O)COc1ccc(N(C)CC[C@@H]2C[C@H]2C2CC2)cc1 1169187263 FZOCFXJGRGXYGN-PBHICJAKSA-N 303.402 3.111 10 10 DGCE CC[C@H](CNC(=O)[C@H](C)CC)NCc1ccc(OC)c(C)c1 1318503125 OHJNFAIXIUSEJY-CZUORRHYSA-N 306.450 3.034 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H]([C@H](N)c2ccccc2O)[C@H]2C[C@@H]21 1902970803 CURFHTCFLVZWOM-AEIGPULVSA-N 318.417 3.038 10 10 DGCE C[C@H]1CCO[C@@H]1CCNCc1ccc(Br)cc1O 1918132064 YSJPHNOFDSZDSG-IINYFYTJSA-N 314.223 3.059 10 10 DGCE O=C(NCc1ccc(O)c(O)c1)c1ccc(C(F)F)c(F)c1 1294868724 GMDBPXIWYUGVLW-UHFFFAOYSA-N 311.259 3.105 10 10 DGCE Cc1nc2c(F)cccc2cc1C(=O)NCc1ccccc1O 1294926059 XULIZCUWJRJEFG-UHFFFAOYSA-N 310.328 3.318 10 10 DGCE CCSc1cccc(CNC(=O)Cc2ccc(O)c(O)c2)c1 1468681524 RGAGLDNRAUKFCI-UHFFFAOYSA-N 317.410 3.069 10 10 DGCE C[C@@H](C(=O)NCc1cc(O)ccc1O)c1ccc(Cl)s1 1471660808 AEWWXYRAPLRPQE-MRVPVSSYSA-N 311.790 3.233 10 10 DGCE Cc1cc(CNC(=O)C2(O)CCCC2)c(C)n1-c1ccccc1 1471017707 LAQASNMOTOHHJR-UHFFFAOYSA-N 312.413 3.015 10 10 DGCE COc1ccc(CNC2CC(CNC(=O)CC(C)C)C2)cc1C 1707286555 VJZBSHNHGKMNOS-UHFFFAOYSA-N 318.461 3.034 10 10 DGCE COc1ccc(O)c(CN[C@@H]2CCC[C@@H]2Cc2cc(C)no2)c1 1615852510 NNCJMNPNOBVEKM-CXAGYDPISA-N 316.401 3.198 10 10 DGCE Cc1cc(CN2CC[C@H](O)[C@H]3CCCC[C@@H]32)ccc1N(C)C 1473737494 KRYFRZGGVIJHGU-WDSOQIARSA-N 302.462 3.186 10 10 DGCE Cc1ccc(C(=O)N[C@H]2CCCc3c(F)cccc32)c(O)c1O 1625368724 REQGEXRWWQSUOY-HNNXBMFYSA-N 315.344 3.353 10 10 DGCE CCCC[C@H](O)CCC(=O)N[C@H](C)c1ccc(N(C)C)cc1 1556260970 WPZQQFJDNCTPAT-PBHICJAKSA-N 306.450 3.261 10 10 DGCE O=C(NCc1cccc(O)c1O)c1coc2ccc(Cl)cc12 1644711308 XEWNOSDASJGUNN-UHFFFAOYSA-N 317.728 3.427 10 10 DGCE CCN(C[C@@H]1CCC[C@]2(CCOC2)O1)c1ccc(OC)cc1 1657657934 WFGLOWQPEBRAOK-ZWKOTPCHSA-N 305.418 3.250 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@]12CCN(CCCCN=[N+]=[N-])C2 1962302614 ATBQRKVAIIBZQT-OAHLLOKOSA-N 309.414 3.162 10 10 DGCE COc1ccc(CNCC[C@H]2[C@@H](C)CCCN2C(C)=O)cc1C 1691983275 XADUODWETDRLTP-KSSFIOAISA-N 318.461 3.130 10 10 DGCE NC(=O)c1cccc2c1N[C@@H](c1ccc(O)cc1O)[C@@H]1CC=C[C@H]21 13639719 UFCFBSXOMZUVDV-XWCIJXRUSA-N 322.364 3.023 10 10 DGCE CC(C)CNCc1ccc(N(C)CC2CC(O)C2)c(Cl)c1 164129666 QLUJIEZUZQBVMK-UHFFFAOYSA-N 310.869 3.293 10 10 DGCE CC[C@@H]1COCCN1c1ccc(CNC)c(C(F)(F)F)c1 167361014 VZURGGCDXZWTGR-GFCCVEGCSA-N 302.340 3.040 10 10 DGCE Cc1ccccc1/C=C1/SC(=S)N(C(C)(C)C(=O)O)C1=O 1858594074 KFJSBCSWCUSYDM-DHZHZOJOSA-N 321.423 3.059 10 10 DGCE CS(=O)(=O)c1ccccc1NCc1c(O)cccc1Cl 127284070 ANTHIFBUYNEXST-UHFFFAOYSA-N 311.790 3.061 10 10 DGCE C[C@H](NCc1cc(Br)cc(F)c1O)[C@@H]1C[C@H]1C 1942720499 NKRBOIZKRPXGIN-VHSKPIJISA-N 302.187 3.428 10 10 DGCE CC[C@H](NCCC1COC1)c1cc(Br)ccc1O 1971428413 CIZXCVBVPMMOFA-ZDUSSCGKSA-N 314.223 3.232 10 10 DGCE Nc1ccc(OC[C@@H](O)CSCc2ccc(Cl)o2)cc1 2145628487 MFDIXCIORVFNDZ-LLVKDONJSA-N 313.806 3.188 10 10 DGCE C[C@H](CN(C)C(=O)OC(C)(C)C)[C@@H](O)c1ccc(N(C)C)cc1 1977937612 COXLJNIIOXRYSV-CZUORRHYSA-N 322.449 3.289 10 10 DGCE CN(C)c1ccc([C@H](O)[C@H]2CC[C@@H]2NC(=O)OC(C)(C)C)cc1 1994856569 XWCJXJFCZFLDFY-JYJNAYRXSA-N 320.433 3.089 10 10 DGCE CNCc1ccc(N2CCSC[C@H]2C)c(C(F)(F)F)c1 163721416 ZCMLWNJIMDHOLL-SNVBAGLBSA-N 304.381 3.367 10 10 DGCE CNCc1ccc(N2C[C@@H](F)C[C@@H]2C)c(Br)c1 1997687593 ZQFOTJGZMIADAC-ONGXEEELSA-N 301.203 3.105 10 10 DGCE CC(=O)c1ccc(O)c(CN2CC=C(Br)CC2)c1 2031540545 RXJJUQLHPFTCCJ-UHFFFAOYSA-N 310.191 3.079 10 10 DGCE Oc1ccccc1CN[C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 310158073 QPXSRDCGLBYWIO-SLFFLAALSA-N 322.452 3.392 10 10 DGCE CN(Cc1ccccc1O)C(=O)c1cc(Cl)cc(Cl)n1 2161150376 HOFAJEBMBDXGGK-UHFFFAOYSA-N 311.168 3.366 10 10 DGCE Cc1ccc(S(=O)(=O)N(C)c2ccc(N)cc2)c(Cl)c1 702087274 RXOVLNZFQYJMPZ-UHFFFAOYSA-N 310.806 3.056 10 10 DGCE Nc1ccc(N2CCN(Cc3csc(Cl)c3)CC2)cc1 379001442 VMQKYZGPSIHJQI-UHFFFAOYSA-N 307.850 3.306 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)c1ccc(Br)cc1 691687592 DOXYCUMBHVJOCW-LLVKDONJSA-N 309.167 3.364 10 10 DGCE CNC(=O)c1cc(C2CCC2)nn1[C@@H](C)c1cc(C)ccc1O 2070050548 RKIAMGQURBCAON-LBPRGKRZSA-N 313.401 3.134 10 10 DGCE C[C@@H](c1ccccc1O)N(C)c1ccc(Br)nn1 2072457758 BBOUFRNHYUKPNI-VIFPVBQESA-N 308.179 3.142 10 10 DGCE CN(C)c1ccc([C@@H](O)c2ccc(N)cc2Br)cc1 2106791758 VXTUCKCYXQINLK-OAHLLOKOSA-N 321.218 3.179 10 10 DGCE Cc1cc(C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])oc1Br 2218737756 KJMAKERUNAUJBT-HTQZYQBOSA-N 313.155 3.312 10 10 DGCE CSc1ncc(CNC(=O)c2cc(S)ccc2F)s1 2269322290 RPSNWTDZEPCAFS-UHFFFAOYSA-N 314.432 3.223 10 10 DGCE COCCN1C(=O)C(=Cc2ccccc2Cl)SC1=S 2296664584 PELVLFZPIBMWOX-UHFFFAOYSA-N 313.831 3.188 10 10 DGCE COCCN1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S 2296665690 LSXOCSYEWIBQRQ-UHFFFAOYSA-N 313.831 3.188 10 10 DGCE CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccc(O)cc1 2296734207 YEZRVRVAXQXWSY-UHFFFAOYSA-N 307.353 3.419 10 10 DGCE CCN1C(=O)C(=Cc2ccc(N3CCCCC3)o2)SC1=S 2314646552 BOIVJFMBZMPHEU-UHFFFAOYSA-N 322.455 3.491 10 10 DGCE CCN1N=C(c2ccccc2)C(=Cc2ccccc2C(=O)O)C1=O 2332131819 ISTCPAKJPIZZRO-UHFFFAOYSA-N 320.348 3.035 10 10 DGCE O=C(O)[C@]1(Sc2nccs2)CCC[C@H]2CSC[C@@H]21 2326903461 JHWWZYXTBUUHCO-AUTRQRHGSA-N 301.458 3.222 10 10 DGCE Cc1ccc(CN[C@@H]2C(F)(F)C23CC3)c(O)c1Br 2327612108 IWOLRHDCKLXAPQ-NSHDSACASA-N 318.161 3.350 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@]1(O)CCCSC1 2343703381 UADQYXPSVDJZAW-CYBMUJFWSA-N 322.257 3.047 10 10 DGCE Cc1ccc(O)c(O)c1CC[C@@H]1C(=O)CC[C@]2(C)C(=O)CC[C@@H]12 4096541 YUHVBHDSVLKFNI-NJSLBKSFSA-N 316.397 3.303 10 10 DGCE in-vivo CCc1nnsc1CN(C)c1ccc([C@@H](C)N)cc1Cl 2361114576 KNHUGAMCYDSXJT-SECBINFHSA-N 310.854 3.410 10 10 DGCE [N-]=[N+]=NCCCCNC(=O)c1ccc(Br)c(F)c1 231730793 RAEYIRSYFWMUOG-UHFFFAOYSA-N 315.146 3.409 10 10 DGCE Cc1ccc([C@@H]2[C@H](N)CCCN2C(=O)OC(C)(C)C)c(O)c1 1952606704 CXEASDPHMQFMQS-UKRRQHHQSA-N 306.406 3.100 10 10 DGCE CC(C)[C@@H](NS(=O)(=O)Cc1ccc(N)cc1)c1cccs1 49554637 JWQXOZPBWWKQGL-OAHLLOKOSA-N 324.471 3.147 10 10 DGCE C[C@H]1[C@@H](C)SCCN1c1c(F)cc(/C=C/C(=O)O)cc1F 133341839 QAMJEKCEZFEAGU-FCVPOFOPSA-N 313.369 3.393 10 10 DGCE Cc1cc(Br)cc(CN(C)[C@H]2CCO[C@@H]2C)c1O 160971415 UZLBTBJGLDZCSS-MFKMUULPSA-N 314.223 3.072 10 10 DGCE CCN[C@@H]1C(=O)Nc2cc(N(C)C3CCCC3)c(Cl)cc21 92750253 YNPQRHJGXUYHOR-HNNXBMFYSA-N 307.825 3.322 10 10 DGCE Cc1ccc(O)c(CN2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)c1 92094923 QTAKTAXVDKZVAH-WMLDXEAASA-N 319.351 3.287 10 10 DGCE CC(=O)N(C(=S)N[C@H](C)c1ccccc1)c1ccc(N)cc1 243684691 PIUFQEXAKTZDQE-GFCCVEGCSA-N 313.426 3.257 10 10 DGCE CCN[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C[C@H]1C 250585883 BEMQHNCIYJICRL-RISCZKNCSA-N 302.340 3.410 10 10 DGCE C[C@@]1(c2ccc(F)cc2)CCN(C(=O)c2cccc(O)c2O)C1 369539881 GXWSSGZRKGVFOR-GOSISDBHSA-N 315.344 3.041 10 10 DGCE CCC(CC)C(=O)NCc1cc(Br)ccc1O 804735389 WUPPZDURIUNCCR-UHFFFAOYSA-N 300.196 3.207 10 10 DGCE C[C@H](N[C@H]1COc2ccc(F)cc2C1)c1ccc(F)cc1O 808729137 HPZXXGLOIMUARK-IINYFYTJSA-N 305.324 3.325 10 10 DGCE CC(C)(C)C[C@@H](O)CC(=O)NCc1ccc(N2CCCC2)cc1 291502554 PGGGFDWFXQLART-KRWDZBQOSA-N 318.461 3.090 10 10 DGCE O=C(C[C@H]1C=CCC1)NCc1cc(Br)ccc1O 804737676 VXWYUTMCCASLTG-JTQLQIEISA-N 310.191 3.127 10 10 DGCE CCC1(NC(=O)c2csc(Cc3ccc(N)cc3)n2)CCC1 817944830 NHIRHQQARMRUGE-UHFFFAOYSA-N 315.442 3.379 10 10 DGCE CC(C)(NC(=O)c1cc(O)cs1)c1cc(C(F)(F)F)on1 839797608 BJYOKAVEEZDGHT-UHFFFAOYSA-N 320.292 3.126 10 10 DGCE O=C(O)[C@@H]1CCCCCC[C@H]1NCc1cc(F)cc(F)c1O 904005603 SMJYSRXDECSMRR-TZMCWYRMSA-N 313.344 3.184 10 10 DGCE CN(C)c1ccc(/C=C\CNCc2noc3c2CCCC3)cc1 835054190 SEIQKUTYOQYRRH-WAYWQWQTSA-N 311.429 3.422 10 10 DGCE Cn1cc(-c2noc(-c3ccc(-n4cccc4)c(F)c3)n2)cn1 731794603 JRUVEFIEFFTJMW-UHFFFAOYSA-N 309.304 3.067 10 10 DGCE COc1cc(O)c(CNCC[C@@]2(C)C[C@]2(F)Cl)cc1OC 846035577 HDWXSXFUSXQTEP-LSDHHAIUSA-N 317.788 3.204 10 10 DGCE OC1CCN(c2ccc(CNC3C[C@H]4CC[C@H](C3)C4)cc2)CC1 850406385 FLHRPJRZPNPCIH-IRXDYDNUSA-N 314.473 3.316 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)C[C@@H]3C=CCCC3)C2)cc1 855228195 XFIKLFSTHOXMPC-CVEARBPZSA-N 314.429 3.137 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)NCC[C@@H]2CC[C@@H]3C[C@@H]23)cc1 927475563 BZHJSQPBEMVNEA-SUHUHFCYSA-N 300.362 3.015 10 10 DGCE CO[C@H](CN(Cc1ccccc1O)C[C@@H]1CCCO1)C1CCC1 851840425 GPXVWIZPXBQFAS-PKOBYXMFSA-N 319.445 3.188 10 10 DGCE O=C(NCc1ccccc1O)NC1CCC2(CC1)CC2(F)F 852607260 DDYKXAWJZMULFG-UHFFFAOYSA-N 310.344 3.159 10 10 DGCE CC/C=C(\F)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 865115230 HFQADXPWFAGMTJ-XRVIQIRUSA-N 306.381 3.044 10 10 DGCE CCC[C@H](C)[C@@H](CO)NCc1ccc(Br)cc1O 1118577315 MSRZMHAMUJBAES-GXFFZTMASA-N 316.239 3.041 10 10 DGCE CC1(C)CCCC[C@H]1C(=O)OCC(=O)c1ccc(O)c(O)c1 789063407 DMZFSNMFDCBGIA-LBPRGKRZSA-N 306.358 3.040 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H](Nc2ccc(N)cc2)C2(CC2)C1 1959367283 WDDCAGBKOASFSL-AWEZNQCLSA-N 303.406 3.080 10 10 DGCE COc1ccc(O)c(CN2CCCC[C@H](C3CCOCC3)C2)c1 895717484 RICSOBYUJGGGLF-INIZCTEOSA-N 319.445 3.430 10 10 DGCE CCNC(=O)N(C)c1cccc(NCc2cccc(C)c2O)c1 793318131 PWISKWFVONGUSP-UHFFFAOYSA-N 313.401 3.478 10 10 DGCE C[C@@H](N)c1ccc(N2CC3(CN(Cc4ccccc4)C3)C2)cc1 706639154 QWGXUWZONXOZCP-MRXNPFEDSA-N 307.441 3.029 10 10 DGCE CC1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 697954286 QWPIAGPOAIXAHX-UHFFFAOYSA-N 317.433 3.018 10 10 DGCE CN(C)c1ccc(CN2CC[C@H](N(C)c3ccccc3)C2)cc1 1307968879 LTXPTDNAHCCFHZ-FQEVSTJZSA-N 309.457 3.463 10 10 DGCE Cn1c(C(=O)NCC2(CN=[N+]=[N-])CC2)cc(Cl)c1Cl 2117727403 HPHCDMTVTZDUEG-UHFFFAOYSA-N 302.165 3.152 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCC1CC(C)C1 1251988308 IHELFUVEGAUFTN-SIWZUTFBSA-N 317.477 3.337 10 10 DGCE c1cnc([C@@H](NCc2ccc(N3CCCC3)cc2)C2CC2)nc1 1332353952 VIQAHGHUFODCQS-SFHVURJKSA-N 308.429 3.318 10 10 DGCE COc1ccc(N(C)CCN(C)C[C@H](CC(C)C)OC)cc1 1195789299 LJCNLPKCBVTNMC-SFHVURJKSA-N 308.466 3.124 10 10 DGCE C[C@@H]1CCO[C@H]1CCNCc1cccc(Br)c1O 1918153004 OJJNOIOYUSTXJF-MFKMUULPSA-N 314.223 3.059 10 10 DGCE COc1cc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)[nH]n1 1532338164 VNYOUHIOXDHONM-UHFFFAOYSA-N 310.357 3.078 10 10 DGCE CC(C)(C)OC(=O)N[C@](C)(C1CC1)[C@@H](N)c1ccccc1O 1928476732 MHBVLFDVIALEAQ-WMLDXEAASA-N 306.406 3.085 10 10 DGCE CC(C)(NC(=O)c1cc(O)cs1)c1ccc([N+](=O)[O-])cc1 1635274622 KZOQGKWFUKDOBR-UHFFFAOYSA-N 306.343 3.027 10 10 DGCE O=C(/C=C/c1ccc(Cl)s1)NCc1ccc(O)cc1O 1638357795 VGPXBUIYNIEDCB-GQCTYLIASA-N 309.774 3.142 10 10 DGCE COc1ccc(CNCCN(C)C(=O)C2(C)CCCC2)cc1C 1731938055 WWMPDYSJFNADER-UHFFFAOYSA-N 318.461 3.132 10 10 DGCE Cc1cn2ccc(NC(=O)c3ccc(N=NC(N)=O)cc3)cc2n1 1642164083 RYBNRHRFSNARFC-UHFFFAOYSA-N 322.328 3.057 10 10 DGCE CCCN(CCN(CC)CC)Cc1cc(F)cc(C(C)=O)c1O 1653231542 ZFZXTKMZMHEAEK-UHFFFAOYSA-N 324.440 3.288 10 10 DGCE C[C@H]1C[C@@H](C)CN1c1ccc(CN)c(Br)c1F 231840773 GSYVEGXPPABATQ-BDAKNGLRSA-N 301.203 3.282 10 10 DGCE CSCCCCn1c(C)nnc1N(C)Cc1ccccc1O 1771465087 UNEXPEMDHXIUTA-UHFFFAOYSA-N 320.462 3.072 10 10 DGCE CN[C@H](c1ccccc1O)[C@@H](CNC(=O)OC(C)(C)C)C(C)C 1936973347 GGQUXKUQPSDDOK-GOEBONIOSA-N 322.449 3.450 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)N(C)[C@@H]1CCOC1 162624555 MDUDJAQFGJABRT-CYBMUJFWSA-N 304.415 3.017 10 10 DGCE CC(C)NCc1ccc(N(C)C[C@H](C)O)c(C(F)(F)F)c1 163708910 RYOXTBPSKCFLFD-NSHDSACASA-N 304.356 3.020 10 10 DGCE CCCNCc1ccc(N(C)CCN2CCCC2)c(Cl)c1 164066630 OJPFEKITYPTVEP-UHFFFAOYSA-N 309.885 3.372 10 10 DGCE CCc1nn(CC)c(CC(=O)Cc2ccc(N)cc2)c1Cl 166813696 BCJSOMKZCOLEMK-UHFFFAOYSA-N 305.809 3.055 10 10 DGCE C[C@H](O)[C@@H]1CCN(c2ccc(CNC(C)(C)C)cc2Cl)C1 167887686 DRIVNLWITWXQBQ-GXTWGEPZSA-N 310.869 3.435 10 10 DGCE COc1cccc(CN[C@]2(CO)C[C@H](C)CC(C)(C)C2)c1O 152400194 NTEGHKHPWGSNJE-FZKQIMNGSA-N 307.434 3.068 10 10 DGCE O=C1NN(c2ccccc2)C(=O)/C1=C/C=C\c1ccccc1Cl 4456071 VVZJFICTTKPNCK-DIASDXIDSA-N 324.767 3.358 10 10 DGCE O=C1CSC(=S)N1c1ccc(Cc2ccncc2)cc1 1860075361 JAXQGESGSIQXMW-UHFFFAOYSA-N 300.408 3.037 10 10 DGCE CSC1CN(c2ccc([C@@H](C)O)c(Br)c2)C1 1939039011 UCIOZVFUZFVRFP-MRVPVSSYSA-N 302.237 3.054 10 10 DGCE CCCOc1cc(N(CCCN)Cc2ccccc2)ccc1N 1989342252 BPWSKIXNSHJRFU-UHFFFAOYSA-N 313.445 3.413 10 10 DGCE C[C@@H](c1ccccc1O)N(C)S(=O)(=O)c1ccc(Cl)o1 2152791104 KZRSEYRSHHOZSM-VIFPVBQESA-N 315.778 3.020 10 10 DGCE CC(C)OCCN(C)Cc1c(O)cccc1Br 707165529 HMEFVUSTVLQSFO-UHFFFAOYSA-N 302.212 3.012 10 10 DGCE CCOC(=O)c1cc(C)nn1[C@@H](C)c1cc(C)c(C)cc1O 2069874927 ULQGSJKSQSKIJE-ZDUSSCGKSA-N 302.374 3.300 10 10 DGCE CC(C)c1cnn(Cc2ccc(O)cc2O)c1Br 2070311978 JNRUBRGYOMPWPF-UHFFFAOYSA-N 311.179 3.229 10 10 DGCE Cc1ccc(Br)c([C@H](O)c2ccc(N(C)C)cc2)n1 2112728229 JUGULEVHELBFAV-OAHLLOKOSA-N 321.218 3.300 10 10 DGCE C[C@@H](O)c1ccc(N2CCn3cccc3C2)cc1Br 2114548851 HCVJTBDXNVURAV-LLVKDONJSA-N 321.218 3.324 10 10 DGCE COc1ccc(Br)c(CNC2CC(CF)C2)c1O 2220462152 HJNAJQVWQWHQJI-UHFFFAOYSA-N 318.186 3.001 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@H]1C[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]12 2296892900 TZOVNHAIEUYQIC-DDNRWTCHSA-N 314.212 3.355 10 10 DGCE CC1=NN(c2ccc(C(=O)O)cc2)C(=O)C1=CC=Cc1ccco1 2297576699 NAHMJGVTAFLHKN-UHFFFAOYSA-N 322.320 3.340 10 10 DGCE CCOC(=O)CCN(C)N=Nc1cccc(OC(F)(F)F)c1 2318775611 CNOWINZEGNLTBH-UHFFFAOYSA-N 319.283 3.469 10 10 DGCE Cc1nc2ccccn2c1C=C1SC(=S)N(C(C)C)C1=O 2323701903 ICQMCVBHRNOOJR-UHFFFAOYSA-N 317.439 3.252 10 10 DGCE Cc1ccc(CN[C@H]2CSC2(C)C)c(O)c1Br 2307566157 UACFTZMSZKCJDQ-JTQLQIEISA-N 316.264 3.447 10 10 DGCE CCN(CCN=[N+]=[N-])C(=O)c1cc(Br)cn1CC 2315990042 WMUZBRHDCCTFLJ-UHFFFAOYSA-N 314.187 3.043 10 10 DGCE CCOC(=O)CCN(C)N=Nc1ccc(N2CCCC2)cc1 2330221514 QQSVXKOPIWJBSI-UHFFFAOYSA-N 304.394 3.171 10 10 DGCE O=C1C(=Cc2ccc[nH]2)C(C(F)(F)F)=NN1c1ccccc1 2332143639 UTXZESAKXRUUKA-UHFFFAOYSA-N 305.259 3.363 10 10 DGCE C[C@H](NC(=O)CCN(C)Cc1ccccc1O)c1ccccc1 109772933 HTMMERFUGODUPR-HNNXBMFYSA-N 312.413 3.092 10 10 DGCE Cc1cc(Cl)cc(CN2CCN(C(=O)C(C)(C)C)CC2)c1O 179672097 ITGNCHVARGRTTA-UHFFFAOYSA-N 324.852 3.044 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1C[C@H]2[C@H]3CC[C@H](O3)[C@@H]12 2356935084 TZOVNHAIEUYQIC-QIWZIZFYSA-N 314.212 3.355 10 10 DGCE Nc1ccc(CS(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1 34940547 XYPDPOMVXSSMES-UHFFFAOYSA-N 314.769 3.003 10 10 DGCE Cc1cc(/C=C/C(=O)N2CCC[C@@H](O)C2)c(C)n1-c1ccccc1 73493392 HFEWPNAZVQQFBN-GNISGLHKSA-N 324.424 3.091 10 10 DGCE Cc1cncc(/C=C/C(=O)N(C)c2cccnc2N2CCCC2)c1 132298261 MALPTIKBMKPCQP-BQYQJAHWSA-N 322.412 3.061 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)c2cc3sccc3[nH]2)c1 192178588 VJDUIYCYYXDQBI-SECBINFHSA-N 316.382 3.435 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H]1CNCc1cccc(F)c1O 226609909 OUYDOQKYWJSZER-ZDUSSCGKSA-N 324.396 3.020 10 10 DGCE CN(CC1CC1)c1ccc(/C=C/C(=O)O)c(Br)c1 234289444 QWXSYOVQNKLAAO-FNORWQNLSA-N 310.191 3.393 10 10 DGCE Cc1cccc(CN2[C@H]3CC[C@H]2CC(c2ccnn2C)C3)c1O 374998355 WUKBTZCIVXBCON-IRXDYDNUSA-N 311.429 3.345 10 10 DGCE Oc1c(F)cc(Cl)cc1CN1CCOC[C@@H]1CC(F)F 809712373 KSXXIGRXRURBJQ-JTQLQIEISA-N 309.715 3.041 10 10 DGCE CCOc1ccc(O)c(CNc2cccc(OC(=O)NC)c2)c1 813791401 CBRHZBMTWDRKCQ-UHFFFAOYSA-N 316.357 3.121 10 10 DGCE C[C@@H](Cc1ccco1)C(=O)NCCCSc1nccs1 827474506 BBGUNXVEALFFBK-NSHDSACASA-N 310.444 3.213 10 10 DGCE COC1CCN(c2ccc(CN3CC[C@@H](C(F)F)C3)cc2)CC1 828545215 OGHUTFHLUFIPHK-OAHLLOKOSA-N 324.415 3.389 10 10 DGCE CCOc1cccc(CN[C@H](c2cnn(C)c2)C(C)(C)C)c1O 748245622 BZAPNEICTDJEJS-QGZVFWFLSA-N 317.433 3.401 10 10 DGCE Oc1ccc(Cl)cc1CN[C@@H]1CNCC[C@@H]1c1ccccc1 849350366 YBNBYEJZQYBRLN-IAGOWNOFSA-N 316.832 3.281 10 10 DGCE C[C@@H](O)[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccccc1F 846015613 CROKFUOURWIXEI-XIKOKIGWSA-N 320.383 3.243 10 10 DGCE Oc1ccc2ccccc2c1CN1CC[C@H](Nc2ncccn2)C1 842616155 SKRPJYGGEAIPAR-HNNXBMFYSA-N 320.396 3.022 10 10 DGCE FC1CCC(CNCc2ccc(N3CCOCC3)cc2)CC1 842775123 NFZHNCURNOFNCO-UHFFFAOYSA-N 306.425 3.141 10 10 DGCE Cc1ccc([C@H](C)N[C@H]2CCCc3c2ccc(=O)n3C)c(O)c1 846216013 OVLCCZFHZOVROP-BBRMVZONSA-N 312.413 3.128 10 10 DGCE CN(C)c1ccc(/C=C\CNCCCO[C@H]2CCCCO2)cc1 922231559 OCXSZLAIDKNUFT-WPGJWXSHSA-N 318.461 3.289 10 10 DGCE CCc1ccccc1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855233516 IBHYBUSTCHOZBH-INIZCTEOSA-N 324.424 3.266 10 10 DGCE COc1ccc(N(C)Cc2ccc3c(c2)OCCO3)c(OC)c1 752112096 NTYNKVJHSXFEKP-UHFFFAOYSA-N 315.369 3.111 10 10 DGCE C[C@]12C[C@@H]1CCC[C@H]2NCc1ccc(N2CCC(O)CC2)cc1 850567939 MKWUQNNCEINCLA-DBVUQKKJSA-N 314.473 3.316 10 10 DGCE CCOc1ccc(CN[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)c(O)c1 850409751 ZXNLGRYLDVXFFD-NZSAHSFTSA-N 313.372 3.358 10 10 DGCE CO[C@@H]1CC[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 854476034 ZRBOBEYSETWOII-LDYMZIIASA-N 318.200 3.130 10 10 DGCE C[C@H]1CN(c2ccc(N)cc2)CC[C@H]1NC(=O)OC(C)(C)C 1959569374 SQKUSMWCSBNPAU-SWLSCSKDSA-N 305.422 3.008 10 10 DGCE Oc1c(F)cc(F)cc1CN1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O 894885372 BPDXNFGRTRKGGN-IMJJTQAJSA-N 311.372 3.186 10 10 DGCE Oc1c(F)cc(F)cc1CNc1cccnc1Br 708482571 XPSWVVQWGCCXIB-UHFFFAOYSA-N 315.117 3.440 10 10 DGCE O=C(CCCc1c(F)cccc1F)NCc1ccc(O)c(O)c1 1137443569 UOOZVRFFCGMEBQ-UHFFFAOYSA-N 321.323 3.015 10 10 DGCE C[C@@H](NC[C@@H](CO)Cc1ccc(F)c(F)c1)c1ccccc1O 790737618 NTIHRCKCZCIVIQ-OCCSQVGLSA-N 321.367 3.172 10 10 DGCE Cc1csc(C)c1S(=O)(=O)N[C@@H](C)c1ccccc1O 919119862 RMBAPUHOTTWVQQ-JTQLQIEISA-N 311.428 3.110 10 10 DGCE Cc1onc(-c2ccccn2)c1C(=O)N[C@H](C)c1ccccc1O 1171723707 YBEAISYPUINWFS-LLVKDONJSA-N 323.352 3.242 10 10 DGCE NC(=O)c1c(F)cc(Br)cc1Nc1ccc(N)cc1 2127908758 BBTMXHQFKSMDHL-UHFFFAOYSA-N 324.153 3.013 10 10 DGCE Cc1cccc(-n2c(C)cc(CNC(=O)c3ncccn3)c2C)c1 1287661579 RSDFHHXDGGMKHB-UHFFFAOYSA-N 320.396 3.123 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1cc(F)c(F)cc1N 1445659730 YCIGKRTVLOFWIA-UHFFFAOYSA-N 320.339 3.305 10 10 DGCE Cc1cccc2c1CCN(C(=O)c1ccc(N=NC(N)=O)cc1)C2 1443647170 SLAOXQDXKPGBBH-UHFFFAOYSA-N 322.368 3.356 10 10 DGCE CC(C)n1cccc1C(=O)NCc1ccc2cccnc2c1O 1451944905 ABHMEJRDHFUGEY-UHFFFAOYSA-N 309.369 3.253 10 10 DGCE CCC1=NN(C)C(=O)/C1=C/c1cc(Br)ccc1F 1865673369 AOHDPMMUUYHLJD-JXMROGBWSA-N 311.154 3.210 10 10 DGCE Cc1cc(CC(=O)N2CCOC2)c(C)n1-c1ccc(Cl)cc1 1463437370 KNYMGRVRYDHBMX-UHFFFAOYSA-N 318.804 3.106 10 10 DGCE C[C@]1(CNCc2cc(Cl)cc(Cl)c2O)CSCCO1 2136565493 WIDYXOROFSTUHR-ZDUSSCGKSA-N 322.257 3.311 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@@H]2[C@H]2C[C@H]2C)cc1 1534246034 RCNDOYILPKZRDA-BVPBIZIASA-N 300.446 3.441 10 10 DGCE COC1(CNC(=O)NCc2c(O)cccc2F)CCCCCC1 1638913263 UBUHWFXMRVJKMV-UHFFFAOYSA-N 324.396 3.070 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2C[C@@H](O)C23CCC3)cc1 1632933148 PEFSZLJHLHCCAE-ZWKOTPCHSA-N 324.424 3.127 10 10 DGCE Nc1c(C(=O)N2Cc3cccc(O)c3C2)ccc(Cl)c1Cl 1650674410 BCSMRBJVKIBIFM-UHFFFAOYSA-N 323.179 3.437 10 10 DGCE O=C(/C=C\c1ccc(Cl)cc1)NCc1cc(O)ccc1O 1651225452 JZBVBPJCXULWRV-BAQGIRSFSA-N 303.745 3.081 10 10 DGCE CC(C)Cc1ccc(CC(=O)NCc2cc(O)ccc2O)cc1 1651222435 FLIOHXRYKGJPAD-UHFFFAOYSA-N 313.397 3.155 10 10 DGCE Cc1cccc(-n2c(C)cc(C(=O)N=c3cc[nH]cc3O)c2C)c1 1650783436 MFTNYTSVSQUSKL-UHFFFAOYSA-N 321.380 3.177 10 10 DGCE COc1ccc(CNC[C@@H](C)NC(=O)C(C)(C)C2CC2)cc1C 1699377705 LFWGMHWMUIGEHH-CQSZACIVSA-N 318.461 3.034 10 10 DGCE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN(CCCCN=[N+]=[N-])C1 1962301716 WJWFPYDHYQHWDE-OLZOCXBDSA-N 311.430 3.312 10 10 DGCE COc1ccc(-c2ccc(=Nc3ccc(C)cc3O)[nH]n2)cc1 1859840058 GQIJKJXTWGXAJF-UHFFFAOYSA-N 307.353 3.332 10 10 DGCE c1ccc(CN(Cc2ccc(N3CCNCC3)cc2)C2CC2)cc1 1235994689 VHFKUGMJRWQHSP-UHFFFAOYSA-N 321.468 3.261 10 10 DGCE Oc1cccc(Br)c1CNC[C@H]1CC[C@@H](F)C1 1945261869 RESUEBMRYXTIRR-VHSXEESVSA-N 302.187 3.383 10 10 DGCE Cc1csc([C@H](CO)N=[N+]=[N-])c1I 1951595156 QAKJVHOCWBRBSN-YFKPBYRVSA-N 309.132 3.005 10 10 DGCE COc1cc(Br)ccc1CNCc1ccccc1O 1967722028 BNOCAYABVPTGHK-UHFFFAOYSA-N 322.202 3.453 10 10 DGCE CO[C@@H]1[C@H](NCc2c(O)cccc2Br)CC1(C)C 1974289796 KKQSBULOGVSKPX-DGCLKSJQSA-N 314.223 3.058 10 10 DGCE C[C@@]1(C(F)F)C[C@@H]1NCc1c(O)cccc1Br 2008235847 ISSGRQGPPZQERG-CMPLNLGQSA-N 306.150 3.288 10 10 DGCE CN[C@H](C)c1ccc(N2CC[C@@H]2CF)cc1Br 2011854382 KXIDHTWATCNOTC-MWLCHTKSSA-N 301.203 3.278 10 10 DGCE C[C@@H]1C[C@@H]1CCNCc1cc(Br)cc(F)c1O 2016815144 RTXOWUKGXSPBKP-BDAKNGLRSA-N 302.187 3.430 10 10 DGCE CCCNCc1cc(F)c(N2CCSC[C@H]2C)c(F)c1 70220697 SZGZKAUADRXLTL-LLVKDONJSA-N 300.418 3.406 10 10 DGCE C[C@H](OCc1ccccc1)C(=O)N(Cc1ccc(N)cc1)C1CC1 404519399 VFAPJLOADIXCKB-HNNXBMFYSA-N 324.424 3.365 10 10 DGCE C[C@H]1CN(c2cc(Cl)c(CN)cc2F)CC(C)(C)CO1 2177383916 SBOQKYVAJWDGJP-JTQLQIEISA-N 300.805 3.189 10 10 DGCE CC(C)c1ccc(C=C2SC(N3CCOCC3)=NC2=O)cc1 2053467627 JPBHOXFOHLNEBX-UHFFFAOYSA-N 316.426 3.113 10 10 DGCE CCCNCc1ccc(N(C)Cc2cnns2)c(Cl)c1 400045035 UNTQUGUBMISHHP-UHFFFAOYSA-N 310.854 3.328 10 10 DGCE Cc1ccc([C@H](C(C)C)n2nc(C(F)F)c(N)c2N)c(O)c1 2079061220 UTLJIBSLQALKKN-ZDUSSCGKSA-N 310.348 3.245 10 10 DGCE C[C@@H](O)c1ccc(N(CCO)Cc2cccs2)cc1Cl 2171092123 JRLHNSBOVFKXOX-LLVKDONJSA-N 311.834 3.454 10 10 DGCE C[C@H](O)c1ccc(N2CC(O)(c3cccs3)C2)c(Cl)c1 2193353036 HHEOGQNNMLOJPN-JTQLQIEISA-N 309.818 3.163 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@]1(O)C[C@H]2CCC[C@@H]21 2197536407 IZEAWXWFAAUCSZ-MURWCNHISA-N 316.228 3.340 10 10 DGCE CNCc1ccc(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@H]32)c(Br)c1 2053742704 SOROFILXSBWIEX-JUFZMCDQSA-N 307.235 3.013 10 10 DGCE CC[C@@H](c1cc(Br)ccc1O)N(C)CC1(N)CC1 2057941739 UQIPJUIADMIGHX-LBPRGKRZSA-N 313.239 3.029 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)c2nc(Cl)sc2Cl)C1 2078398589 CJIQOKOTPOYURB-YFKPBYRVSA-N 306.178 3.365 10 10 DGCE C[C@@H]1C[C@H]2CN(c3cc(Br)c(CN)cc3F)C[C@@H]12 2085513786 OIRRKXFKEGHTKA-MIMYLULJSA-N 313.214 3.139 10 10 DGCE CC(C)(C)OC(=O)N1CCC=C[C@]1(C)[C@H](N)c1ccccc1O 2212448300 MDHFVURXBLACKQ-CRAIPNDOSA-N 318.417 3.348 10 10 DGCE C[C@](NCCCN=[N+]=[N-])(C(=O)O)c1ccc(Cl)c(F)c1 2235859040 NPQCHKYEIGGYIW-GFCCVEGCSA-N 300.721 3.069 10 10 DGCE CCC(F)(F)CC[S@](=O)CCCOc1ccc(N)cc1 2283695474 CPPQHISWQZLPBU-HXUWFJFHSA-N 305.390 3.222 10 10 DGCE COc1ccc(N(C)C(=O)C=Cc2cn(C)c3ccccc23)cn1 2297694091 OUKQANQJIGRWOL-UHFFFAOYSA-N 321.380 3.258 10 10 DGCE CN(C(=O)/C=C/c1cnccn1)c1cccc(OC(F)(F)F)c1 491480275 VSGUQPUBQYEAFT-AATRIKPKSA-N 323.274 3.051 10 10 DGCE CN(C[C@H]1C[C@@H](F)C1)c1ccc(CN)cc1Br 2307375135 GDDIJGQBOUABAU-PHIMTYICSA-N 301.203 3.092 10 10 DGCE C[C@H](c1ccccc1O)N(C)c1c(Br)ncn1C 2315571221 HXTBGYSHGGGLAI-SECBINFHSA-N 310.195 3.086 10 10 DGCE Cc1ccc(CN2C(=O)CC23CCC3)c(O)c1Br 2327598715 GPXUBYHMJVBGDA-UHFFFAOYSA-N 310.191 3.118 10 10 DGCE Cc1ccc(CN(C)[C@@H](C)C(C)(C)N)c(O)c1Br 2327797536 YGOCRHKBVHXTHD-JTQLQIEISA-N 315.255 3.021 10 10 DGCE Cc1ccnc(CNCc2ccc(C)c(Br)c2O)c1 2352685352 WGFUMIZLWYQHGQ-UHFFFAOYSA-N 321.218 3.456 10 10 DGCE CCc1cnc(NCc2ccc(C)c(Br)c2O)nc1 2352941235 OKAMONXSBXWHSP-UHFFFAOYSA-N 322.206 3.428 10 10 DGCE Cc1ccc(NC(=O)[C@@]23CC[C@@](C)(C(=O)C2=O)C3(C)C)cc1C 8550712 ACSWPYMJUKHBTQ-RBUKOAKNSA-N 313.397 3.206 10 10 DGCE CCCN(c1ccc(N)cc1)S(=O)(=O)CC1CCCCC1 63115445 YAPYEAFBGKMODN-UHFFFAOYSA-N 310.463 3.395 10 10 DGCE Cc1ccc(CN(C)c2ccc(CN)cc2Br)o1 212889854 MQJWHVJKQYRESC-UHFFFAOYSA-N 309.207 3.446 10 10 DGCE CN(C[C@@H]1C[C@H]1COc1ccc(N)cc1)C(=O)OC(C)(C)C 1952753688 BPVVZSHFMXLZJW-STQMWFEESA-N 306.406 3.151 10 10 DGCE CC[C@@H]1CN(c2ccc(OC)c(Br)c2)CCCN1 88331082 KSVJXQCSUOKSNR-LLVKDONJSA-N 313.239 3.036 10 10 DGCE Oc1cc(Br)ccc1CNCC[C@H]1CCCOC1 529638071 XVKRQOGKBVPNOE-LLVKDONJSA-N 314.223 3.061 10 10 DGCE CC(C)C[C@H]1CN(c2ccc(OC(F)(F)F)cc2)CCN1 86122634 KEIAIEDSWLZTNQ-LBPRGKRZSA-N 302.340 3.410 10 10 DGCE CNCc1ccc(N2CCS[C@H](C)C2)cc1Br 234371523 JDNWDYCLBNAACH-SNVBAGLBSA-N 315.280 3.110 10 10 DGCE CC(=O)N(C(=O)OCCc1cccc(C)c1)c1ccc(N)cc1 243697211 PKMHYDZYXARWJH-UHFFFAOYSA-N 312.369 3.309 10 10 DGCE CC(C)NCc1ccc(N2CCN3CCC[C@H]3C2)c(Cl)c1 250709195 CVFDMCLJMYCUGY-HNNXBMFYSA-N 307.869 3.122 10 10 DGCE COC(=O)/C=C/c1ccc(N2CCC[C@@H]2C2CC2)c([N+](=O)[O-])c1 728566514 HQDSOKVUAKSTPL-VZUFXWRPSA-N 316.357 3.160 10 10 DGCE COC1(C(F)(F)F)CN(c2ccc([C@@H](C)N)cc2Cl)C1 724167765 AMROQZOLVWCESP-MRVPVSSYSA-N 308.731 3.127 10 10 DGCE C[C@@H](N[C@@H](c1ncccn1)C1CC1)c1cc(F)cc(F)c1O 903326706 MUWKNKVFYZKIBL-YMTOWFKASA-N 305.328 3.262 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@@H](CC(=O)O)C2CCCC2)cc1 904043902 XNJJVKARLVNXKM-QWNKOJSDSA-N 316.445 3.389 10 10 DGCE Cc1cc(C(=O)N[C@@H](C)[C@H](C)N)c(C)n1-c1cccc(Cl)c1 834822334 WXVCFNWWZMBHJN-RYUDHWBXSA-N 319.836 3.213 10 10 DGCE Cc1cc(O)c(CNC[C@H](c2ccco2)N(C)C)c(Cl)c1 840876485 NAYVDEYAUFUBQQ-CQSZACIVSA-N 308.809 3.340 10 10 DGCE C[C@@H](NC(=O)NCc1c(O)cccc1F)C1CCC(F)CC1 923321352 LNHARKFYDDWITH-VOMCLLRMSA-N 312.360 3.247 10 10 DGCE COC(=O)c1ccc(O)c([C@@H](C)NC[C@H]2C(C)(C)C2(F)F)c1 850553204 UAFAJBYLDWUHQA-RNCFNFMXSA-N 313.344 3.121 10 10 DGCE COc1ccc(O)c([C@@H](C)NCCCc2c(C)noc2C)c1 756640881 QKLYFPUHTNQLKO-LLVKDONJSA-N 304.390 3.289 10 10 DGCE COc1ccc(N2CC[C@@H](Nc3cc(C(C)C)ncn3)C2)cc1 853759758 ZHSGDCLPMCCDBU-CQSZACIVSA-N 312.417 3.299 10 10 DGCE Cc1csc([C@@H](C)N[C@H](C)c2cc([N+](=O)[O-])ccc2O)n1 756537103 VWKCQFGJZKYOAV-NXEZZACHSA-N 307.375 3.477 10 10 DGCE COc1ccc(N(Cc2cccs2)C[C@@H]2COCCO2)cc1 751030722 RDKNRXODTSXMMT-MRXNPFEDSA-N 319.426 3.179 10 10 DGCE CCN(CC)c1ccc(CN[C@@H]2CCN(C)C(C)(C)C2)cc1 858100268 ASVBPFQGIUDRQR-QGZVFWFLSA-N 303.494 3.495 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1C[C@@H](C)[C@@H]1C 861836961 NOTQFGLFESJLDC-OCCSQVGLSA-N 310.397 3.387 10 10 DGCE C[C@H](NC(=O)NCC[C@]1(C)C[C@@]1(F)Cl)c1ccccc1O 868742852 DSSMXMDXTMCUMU-VQISRLSMSA-N 314.788 3.457 10 10 DGCE CCc1oc(C(=O)NCc2ccc3c(c2)CCCN3C)cc1C 760474750 REVUAKRGLRFARG-UHFFFAOYSA-N 312.413 3.463 10 10 DGCE CCOc1cccc(CN2CCC(CN(CC)CC)CC2)c1O 768304059 ROEFUMRWRSNPEO-UHFFFAOYSA-N 320.477 3.345 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@@H]2[C@H]3[C@@H]4CC[C@@H](C4)[C@H]32)cc1 1125235309 NMDNZOFQWNVODY-BKPSIGNASA-N 312.457 3.441 10 10 DGCE O=C(c1c(F)ccc(O)c1O)N1CCC[C@@]2(CC=CCC2)C1 789980229 WWESEWSDCYSCBD-KRWDZBQOSA-N 305.349 3.199 10 10 DGCE CCOc1ccc(CNC[C@@H]2CCC3(CCC3)CO2)c(O)c1 886317928 FAYJVLXGIUCFTB-INIZCTEOSA-N 305.418 3.230 10 10 DGCE Cc1ccc(CNCc2ccc(Br)cc2O)nc1 701015703 QKQXWJXOKLRMTI-UHFFFAOYSA-N 307.191 3.148 10 10 DGCE OCc1cccc(NCc2ccc(Br)cc2O)c1 691457474 ZQJWIGDJRMAUPJ-UHFFFAOYSA-N 308.175 3.259 10 10 DGCE CCC[C@H]1COC[C@H]1NCc1ccc(Br)cc1O 691454411 LEEHXQMMXMTAFM-WCQYABFASA-N 314.223 3.059 10 10 DGCE Oc1ccc(CCNCc2ccc(Br)cc2O)cc1 691440892 SOLLUNPZHDAESU-UHFFFAOYSA-N 322.202 3.193 10 10 DGCE CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/Nc1c(C)n[nH]c1C 1084643992 TVMKGDQFQXCTQA-CXUHLZMHSA-N 323.400 3.362 10 10 DGCE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@@]1(N)c1ccccc1O 1903272968 QIMBHCPWNSGERY-JCGVRSQUSA-N 320.433 3.212 10 10 DGCE Cc1cc(CNC(=O)c2ccc(N=NC(N)=O)cc2)ccc1F 1440770964 XRIVJBRKYIYSDL-UHFFFAOYSA-N 314.320 3.227 10 10 DGCE CCN(CCNCc1cc(C)ccc1O)C(=O)OC(C)(C)C 113333546 UTGXFOICEPVQHQ-UHFFFAOYSA-N 308.422 3.047 10 10 DGCE C/C(=C\c1cccnc1)C(=O)N1CCOc2cc(F)c(F)cc21 1530995448 DXVPRCIZZQNHLA-YRNVUSSQSA-N 316.307 3.189 10 10 DGCE CCn1c(=O)c(N[C@@H](C)c2ccccc2O)nc2ccccc21 1559259198 MLADSVGKJMKYKM-LBPRGKRZSA-N 309.369 3.295 10 10 DGCE O=C(NCc1ccc(O)c(O)c1)c1cc2c(C3CC3)cccc2[nH]1 1630272573 BJOIQPHUDRDVNR-UHFFFAOYSA-N 322.364 3.387 10 10 DGCE O=C(NCc1c(O)cccc1F)NC[C@@H]1CCC[C@H]1C1CC1 1564921809 MCLMPUHCDXXVMJ-STQMWFEESA-N 306.381 3.157 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)N[C@H]2COC[C@H]2C)c1 1597046179 XYUOVKOVZRDNIM-DYVFJYSZSA-N 312.413 3.167 10 10 DGCE CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@@](C)(N)c1ccccc1O 1933869020 IHJJTCSZHHSKGX-PBHICJAKSA-N 308.422 3.115 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC1CC(C)(C)C1 1686826834 QIMLUPRQTMCZGR-CQSZACIVSA-N 317.477 3.480 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)N1CC2C[C@H]3CC1C[C@@H](C2)C3 1772911320 SPXPVWXPAYSGDL-BYRIRPAFSA-N 313.397 3.148 10 10 DGCE CCOC1=NN(c2ccccc2)C(=O)/C1=C/Nc1ccccc1 18156696 AWDNOLDKRXEHND-DTQAZKPQSA-N 307.353 3.379 10 10 DGCE COc1ccc(C(=O)O)cc1NCc1cccc(Cl)c1O 165041951 XWILHRZDULTTDL-UHFFFAOYSA-N 307.733 3.365 10 10 DGCE Cc1ccccc1-n1c(C)cc(C(=O)N[C@@H](C)[C@H](C)CO)c1C 151154405 HZLSGBHOCBRMKZ-HIFRSBDPSA-N 314.429 3.149 10 10 DGCE C[C@@H]1CN(C)CCCN1Cc1cc(Cl)cc(Cl)c1O 235361789 JTBSYHZNFMIMAY-SNVBAGLBSA-N 303.233 3.225 10 10 DGCE Oc1cc(Cl)ccc1CNCc1ccc2nsnc2c1 1963624888 SGHQUGRJQSICEO-UHFFFAOYSA-N 305.790 3.340 10 10 DGCE CN(Cc1csnn1)c1ccc(CNC2CC2)cc1Cl 2150305393 ODQQISWFEREXDJ-UHFFFAOYSA-N 308.838 3.080 10 10 DGCE CCN(C[C@@H](C)NC(=O)OC(C)(C)C)c1ccc(OC)cc1N 1977952108 QBDUAVKGYAVVLL-GFCCVEGCSA-N 323.437 3.017 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@H]2[C@@H](N)c1ccccc1O 1978356639 PRAYFCMPNHDAJV-JMGFVUJMSA-N 318.417 3.038 10 10 DGCE Oc1cccc(Br)c1CNC[C@@H]1C[C@H]1C(F)F 1997384393 YMUATYVNTGXRAW-JGVFFNPUSA-N 306.150 3.146 10 10 DGCE Nc1ccc(Cl)cc1NC(=O)CCSc1nccs1 40676506 KXKIQTAJGVGFTO-UHFFFAOYSA-N 313.835 3.500 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2)CC1 2155549931 CEHAIQPTGPPVOO-NSHDSACASA-N 314.798 3.194 10 10 DGCE Oc1cc(F)ccc1CNC1CCN(Cc2ccccc2)CC1 294302464 PYWSYMKCVUIKNI-UHFFFAOYSA-N 314.404 3.286 10 10 DGCE Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)cc1Cl 312328515 ZDPGWDVEGLBJJF-UHFFFAOYSA-N 307.136 3.376 10 10 DGCE Oc1c(F)cc(Br)cc1CN1CC[C@@H](C(F)F)C1 715817767 JJGLKTWIBNWWDA-SSDOTTSWSA-N 324.140 3.381 10 10 DGCE CCCN(C[C@H]1CCOC1)c1cc(Cl)c(CN)cc1F 2177379400 YXUCYMLEGAHUKM-LLVKDONJSA-N 300.805 3.191 10 10 DGCE CC(F)(F)[C@@H]1CCN(c2ccc(CO)c(Br)c2)C1 2042060543 XDFCGJTYYZNIMH-SNVBAGLBSA-N 320.177 3.423 10 10 DGCE CN(C[C@@H](O)COCc1ccccc1)c1ccc2c(c1)CCC2 2210873180 GWEBWBQTKLHOKQ-HXUWFJFHSA-N 311.425 3.189 10 10 DGCE CN(CC1(Cl)CC1)c1c(F)cc(C=CC(=O)O)cc1F 2237984629 XROIACRUPBVJMV-UHFFFAOYSA-N 301.720 3.270 10 10 DGCE COCCCN1C(=O)C(=Cc2sccc2C)SC1=S 2296664727 ZSZLOHLBCJJHDF-UHFFFAOYSA-N 313.469 3.294 10 10 DGCE O=C1CC[C@H]2CN(C(=O)C=Cc3cccnc3)c3cccc1c32 2309215418 WOQURMJHOSFACK-AWEZNQCLSA-N 304.349 3.202 10 10 DGCE O=C1CC[C@H]2CN(C(=O)C=Cc3cncc(F)c3)c3cccc1c32 2309215421 XAVUPNLKJOZRNV-ZDUSSCGKSA-N 322.339 3.341 10 10 DGCE Cc1ccc(CN2CC3(F)CC2C3)c(O)c1Br 2307468564 HEDWBSKFWXGKLR-UHFFFAOYSA-N 300.171 3.149 10 10 DGCE CC(C)OC(=O)c1cccc(N=NN2CCC(C(=O)O)CC2)c1 2330233070 TWJBMDAZAQZOKR-UHFFFAOYSA-N 319.361 3.047 10 10 DGCE Cc1ccc(CN2CCCOC[C@@H]2C)c(O)c1Br 2327799174 RFOFYWBWKCPJPH-NSHDSACASA-N 314.223 3.074 10 10 DGCE NC(=O)c1cccc2c1N[C@H](c1ccccc1O)[C@@H]1CC=C[C@@H]21 20706775 WIBYZHIONRWMHH-QFSBIZTOSA-N 306.365 3.318 10 10 DGCE O=C(Nc1cccc(CNCc2ccccc2O)c1)C(F)(F)F 305671012 KLHFIMHUMREWHS-UHFFFAOYSA-N 324.302 3.183 10 10 DGCE COCCN(CC(C)C)c1ccc(CN)cc1Br 212915921 DRBYUCFTSBDTAU-UHFFFAOYSA-N 315.255 3.017 10 10 DGCE Cc1ccc(C(=O)N2Cc3ccccc3C3(CC3)C2)c(O)c1O 187291566 DTUVYQIVMFVVPL-UHFFFAOYSA-N 309.365 3.094 10 10 DGCE CN1CCc2cc(CN[C@H]3CCOC4(CCCC4)C3)ccc21 125064844 BREBYLDEFLCOJU-KRWDZBQOSA-N 300.446 3.260 10 10 DGCE Cc1cc(NS(=O)(=O)CCCC(F)(F)F)cc(C)c1O 2366526993 DJKXOFRRLMWGJL-UHFFFAOYSA-N 311.325 3.093 10 10 DGCE COc1cccc(CN2C[C@H](c3ccccc3)O[C@H](C)C2)c1O 92486449 BMAMFFRUWVKJKP-RDTXWAMCSA-N 313.397 3.363 10 10 DGCE Cc1cc(C)n2nc(N)c(N=Nc3ccc([N+](=O)[O-])cc3)c2n1 254290029 HZNIVRQPCIFDIC-UHFFFAOYSA-N 311.305 3.252 10 10 DGCE CCOc1ccc(O)c(CN2CCOc3ccc(C)cc3C2)c1 809702960 BGFSWDSQYYKNBL-UHFFFAOYSA-N 313.397 3.494 10 10 DGCE CC[C@H](C)[C@H](NC(=O)c1ccccc1C(=O)N=N)/C(O)=C/N=N 575244140 UIKXJFWUZGAGQF-NXFWTTAFSA-N 317.349 3.433 10 10 DGCE CCN(Cc1cc(OC)cc(C(C)(C)C)c1O)[C@@H]1CCOC1 812297018 VZTWMPNHDNJGKF-CQSZACIVSA-N 307.434 3.309 10 10 DGCE COc1ccc(N2CCN(C(=O)CCCC(C)C)CC2)cc1 822197098 KZHVZBLSZSQIKJ-UHFFFAOYSA-N 304.434 3.170 10 10 DGCE C[C@H](CNCc1cc(Cl)cc([N+](=O)[O-])c1O)CC(F)F 842727694 QIDMLPXAZMYBDJ-ZETCQYMHSA-N 308.712 3.335 10 10 DGCE O=C(CCCC(=O)N1Cc2cccc(O)c2C1)c1ccccc1 913726245 KUGVEOIVFAYJRA-UHFFFAOYSA-N 309.365 3.288 10 10 DGCE CN(C)c1ccc(/C=C/CNC2([C@H]3CCCCO3)CC2)cc1 923028391 PUYCTRVRDNYFGR-DUMMIQTOSA-N 300.446 3.457 10 10 DGCE Cc1csc(C[C@H]2CCN(C(=O)Nc3ccc(N)cc3)C2)n1 926140609 BOUABEPFNAMHHS-GFCCVEGCSA-N 316.430 3.130 10 10 DGCE O=C(O)/C=C\c1ccc(N2C[C@@H]3CC[C@H]3C2)c(Br)c1 688353058 VVVMPSGBELJAIZ-TXHOQGCJSA-N 322.202 3.393 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(C2CCC2)CC1 855437802 MVKIDGOWPKGCIA-FNORWQNLSA-N 301.386 3.150 10 10 DGCE C[C@@H](NCc1ccn(C)n1)c1ccc(Cl)c(Cl)c1O 756777801 LDRSVLOSMAHPFD-MRVPVSSYSA-N 300.189 3.283 10 10 DGCE Cn1ncc(NCc2cc(Br)ccc2O)c1C1CC1 769924424 RWKHLUPVJGYCPS-UHFFFAOYSA-N 322.206 3.378 10 10 DGCE CCOCCCCCC(=O)NCc1c(O)ccc2c1CCCC2 866770893 IEYQZJJXUBGJCR-UHFFFAOYSA-N 319.445 3.484 10 10 DGCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2C[C@@H](C)[C@H]2C)c1 861837164 QSYKWUAQODXPLW-TZMCWYRMSA-N 310.397 3.387 10 10 DGCE O=C(c1cc(O)cs1)N1CCC(Cc2nccs2)CC1 870265648 JPUKPFSDYFWEIJ-UHFFFAOYSA-N 308.428 3.005 10 10 DGCE COc1c([N+](=O)[O-])ccc(CN2C[C@H](C)C[C@@H](C)[C@H]2C)c1O 775111283 OAJYHSDIPFSPFN-IJLUTSLNSA-N 308.378 3.175 10 10 DGCE COc1ccc(N2CC[C@H](CNCCC(C)C)C2)c(OC)c1 76375970 PJGOXPYIAZANSS-OAHLLOKOSA-N 306.450 3.166 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1C[C@H]2CSC[C@H]2C1 895780646 RGTUMUQTERSRHL-AOOOYVTPSA-N 304.242 3.494 10 10 DGCE Cc1ccc(F)cc1C(=O)NCc1ccc2cccnc2c1O 1142727598 ASTUZZHNUSASKQ-UHFFFAOYSA-N 310.328 3.318 10 10 DGCE CCOC(=O)[C@H](NCCN=[N+]=[N-])c1c(Cl)cccc1Cl 90257592 KTAQTHBIKKHKMA-LLVKDONJSA-N 317.176 3.498 10 10 DGCE CNc1ccc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)cc1F 1150543436 OQASELHKAQDJSQ-JTQLQIEISA-N 318.348 3.073 10 10 DGCE Oc1c(CN=c2cc[nH]cc2C(F)(F)F)ccc2cccnc12 1307145874 PKURWRDJTQSECQ-UHFFFAOYSA-N 319.286 3.388 10 10 DGCE C[C@@H](CCN(C)C(=O)OC(C)(C)C)Nc1c(N)cccc1F 1960846372 ULGJOXZAIVJRAB-NSHDSACASA-N 311.401 3.465 10 10 DGCE CC(C)(C)c1nc(C(=O)NCc2c(O)cccc2F)cs1 1178412564 AFCBWYXPGAWJEW-UHFFFAOYSA-N 308.378 3.215 10 10 DGCE Oc1cc(Br)ccc1CN1[C@H]2CC[C@@H]1[C@H]1CC[C@@H]2O1 1900465835 XPNTXINUZAEVNS-CUFDPUGPSA-N 324.218 3.049 10 10 DGCE C[C@H](Cc1ccco1)C(=O)Nc1c(Cl)ccc2nonc12 1459789524 RUBWLJQLLPAHSK-MRVPVSSYSA-N 305.721 3.287 10 10 DGCE COc1ccc(CN[C@@H](C)CCNC(=O)[C@@H]2CC2(C)C)cc1C 1700322508 WJCTYPVFNMOLTP-HOCLYGCPSA-N 318.461 3.034 10 10 DGCE O=C1NC(=S)N/C1=C\c1cc(/N=N/c2ccccc2)ccc1O 108300495 FRGSLDHILMIQGB-LNPOLRDASA-N 324.365 3.153 10 10 DGCE COc1ccc(CNC(=O)NC[C@@H]2CCCC(C)(C)C2)c(O)c1 1564934397 YDQRSSMXZYQYCO-CYBMUJFWSA-N 320.433 3.416 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)/C(C)=C\c2ccco2)c1 1566374912 YKHWANBKXLIYCF-MMRAYRKESA-N 301.342 3.275 10 10 DGCE Cc1cc(NCc2c(O)cccc2F)nc(-c2ccccn2)n1 1655875966 KQGGHSGVUQVBMN-UHFFFAOYSA-N 310.332 3.304 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCCN2CCCN=[N+]=[N-] 1962299365 MLGSBRGZBLETCF-STQMWFEESA-N 309.414 3.161 10 10 DGCE CCCN1CCC2=NN[C@@H](c3ccc(N(CC)CC)cc3)[C@@H]2C1 169965228 FMDAZSHZCOYBLI-MJGOQNOKSA-N 314.477 3.265 10 10 DGCE COC(=O)[C@H](NCc1cccc(Cl)c1O)c1ccccc1 154657033 VVYDQEPWUKEPCP-CQSZACIVSA-N 305.761 3.050 10 10 DGCE O=C1N=C(Nc2cccc(O)c2)S/C1=C/c1ccc(O)cc1 208101593 SOEBHQCFYCRMJW-RIYZIHGNSA-N 312.350 3.180 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H]([C@@H](N)c3ccccc3O)[C@@H]21 1938162476 SNFXAJWKURJSOD-DMRZNYOFSA-N 318.417 3.038 10 10 DGCE Nc1ccc(OCCNc2cc(Br)ccc2N)cc1 1876230339 JKBBBANGMZZWBA-UHFFFAOYSA-N 322.206 3.104 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@@H](C)[C@@H](F)C2)cc1Br 1947313774 VZVZLQFJLJIRST-KKFJDGPESA-N 302.187 3.297 10 10 DGCE CN1CCc2cc([C@@H](O)[C@@H](N)c3sccc3Cl)ccc21 2148558776 SMMSLGLHLYMNBG-ZIAGYGMSSA-N 308.834 3.127 10 10 DGCE C[C@H](CC[C@H](N)c1ccc(N(C)C)cc1)NC(=O)OC(C)(C)C 1977946800 XOXHHQIPFZWVAG-CJNGLKHVSA-N 321.465 3.446 10 10 DGCE [N-]=[N+]=NCC1CCN(C[C@@]2(Br)CC2(F)F)CC1 2023775974 LXRWVDXBPMHYIC-VIFPVBQESA-N 309.158 3.181 10 10 DGCE C[C@]1(F)CCCN(c2cc(Br)c(CN)cc2F)C1 2034773852 HVLYXVBCHXSFQA-ZDUSSCGKSA-N 319.193 3.375 10 10 DGCE C[C@H]1[C@H](CNCc2cc(Br)cc(F)c2O)C1(F)F 2036008264 ZXFHTZRDUANZND-RCOVLWMOSA-N 324.140 3.285 10 10 DGCE CCNCc1ccc(N2CCC(F)(F)C2)c(Br)c1 313331409 ZZYQHRMYVYLXFB-UHFFFAOYSA-N 319.193 3.404 10 10 DGCE C[C@H](N)c1ccc(N2CC[C@H](CF)C2)c(Br)c1 711513675 ODKWHVIFNPXLSS-VHSXEESVSA-N 301.203 3.265 10 10 DGCE C[C@@H](O)c1ccc(N(C)[C@@H](CCO)C(F)(F)F)cc1Cl 2178510850 NEDJQOKIVJQLLW-PELKAZGASA-N 311.731 3.143 10 10 DGCE Cc1ccc([C@@H](C)n2nc(C3CCC3)c(C(=O)O)c2N)c(O)c1 2078999960 YGXWXALBTWZMRK-SNVBAGLBSA-N 315.373 3.054 10 10 DGCE Oc1cc(-c2nc(-c3csc(Cl)c3)no2)cc(O)c1O 2188910164 RXUMUXYDGAFYGZ-UHFFFAOYSA-N 310.718 3.235 10 10 DGCE C[C@@H](N)c1ccc(N2CC3(CC(F)C3)C2)cc1Br 2051886904 JEBCXEAUDHCYSP-SECBINFHSA-N 313.214 3.407 10 10 DGCE CN(C)c1ccc(CNC[C@]2(Br)CC2(F)F)cc1 2082495468 YQTDJAJLVVXTCN-GFCCVEGCSA-N 319.193 3.015 10 10 DGCE CN[C@H](C)c1ccc(N2Cc3conc3C2)c(Br)c1 2104150867 QLMPWWMGQWJJGR-SECBINFHSA-N 322.206 3.238 10 10 DGCE CC(C)(C)OC(=O)N1[C@@H]([C@H](N)c2ccccc2O)CCC12CC2 2210286939 UQUGHVDHEYPWHN-UKRRQHHQSA-N 318.417 3.324 10 10 DGCE Cc1sc(C(=O)N2CC[C@H](N=[N+]=[N-])C2)cc1Br 2213773129 JKSYTCWSFFEQOL-ZETCQYMHSA-N 315.196 3.344 10 10 DGCE COc1ccc(Br)c(CNCC2CC(C)C2)c1O 2220448805 JPDBZSIFJQIDRP-UHFFFAOYSA-N 314.223 3.299 10 10 DGCE CN(c1cc(Br)c(CN)cc1F)C1C[C@H]2C[C@@H]2C1 2222757335 URDSWCHOBVNYAO-RKDXNWHRSA-N 313.214 3.282 10 10 DGCE Cc1ccc(N=Nc2c(C(=O)O)nc3cc(CO)ccn23)cc1 2295926672 REJXIDZGNHOBHW-UHFFFAOYSA-N 310.313 3.249 10 10 DGCE O=C1N=C(N2CCCCCC2)SC1=Cc1cccc(O)c1 2296680768 UYABNJFPDIFPKF-UHFFFAOYSA-N 302.399 3.239 10 10 DGCE CN(C)c1ccc(C=C2N=C(c3cccc(F)c3)OC2=O)cc1 2297296196 JGRVCSTYUKBGCX-UHFFFAOYSA-N 310.328 3.236 10 10 DGCE CCCN1N=C(CC)C(=Cc2ccc(O)c(OCC)c2)C1=O 2332094844 OGTJFPAESFTPLU-UHFFFAOYSA-N 302.374 3.193 10 10 DGCE C=C=CCC(=O)N(C)Cc1ccc(C)c(Br)c1O 2327608822 LKEVKDYLBVRNMA-UHFFFAOYSA-N 310.191 3.153 10 10 DGCE Cc1ccc(CNC(C)(C)C(C)(C)O)c(O)c1Br 2327624015 NMFIHHLTNSUROD-UHFFFAOYSA-N 316.239 3.102 10 10 DGCE CC[C@H](O)[C@@H](CC)NCc1ccc(C)c(Br)c1O 2327624997 XKXMWKODJIQNIW-NEPJUHHUSA-N 316.239 3.102 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)n2)C1 2335598211 GKBWBGFQVJZKGW-MRVPVSSYSA-N 300.149 3.303 10 10 DGCE Cc1cnnc(NCc2ccc(C)c(Br)c2O)c1C 2352643721 RPTNHBKXGXKGMS-UHFFFAOYSA-N 322.206 3.482 10 10 DGCE CCOc1ccc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1 107946590 KMGVMSSUSLUPQO-CQSZACIVSA-N 320.433 3.436 10 10 DGCE NC(=O)c1cccc2c1N[C@H](c1ccc(O)cc1)[C@@H]1CC=C[C@@H]21 20679433 OGCQFBRZMKKBNM-CKEIUWERSA-N 306.365 3.318 10 10 DGCE Cc1cc(Cl)ccc1OC[C@@H](O)COc1ccc(N)cc1 51327636 TYRMUCGBMPJRGY-AWEZNQCLSA-N 307.777 3.049 10 10 DGCE CN(C)c1ccc(CN(C)c2ncnc3c(F)cccc23)cc1 302782507 KIJBJEJKGDUFBY-UHFFFAOYSA-N 310.376 3.471 10 10 DGCE COc1ccc(N2CCN(C(=O)C(C)=C3CCCC3)CC2)cc1 176500653 DAIMJCLJWPYKCD-UHFFFAOYSA-N 314.429 3.234 10 10 DGCE CC1(C)SC[C@@H]1NCc1cc(OC(F)(F)F)ccc1O 2361026277 DDPRYWNEXRCUKZ-NSHDSACASA-N 307.337 3.274 10 10 DGCE Oc1ccc2ccccc2c1CN1CCC[C@H](Cn2cncn2)C1 128553355 GUQWDSONZKDDOX-HNNXBMFYSA-N 322.412 3.049 10 10 DGCE COc1ccc(CNCc2ncc(C(F)F)s2)c(O)c1 2369602700 HJASQDQOGSHJIA-UHFFFAOYSA-N 300.330 3.085 10 10 DGCE CC[C@](C)(NC(=O)c1cc(C)n(-c2ccccc2)c1C)C(=O)O 262430775 OGPZLVFDJVEONJ-SFHVURJKSA-N 314.385 3.077 10 10 DGCE O=C(O)[C@@H]1CCCCCC[C@H]1NCc1ccc2c(c1)CCO2 277281552 MAVLENHVAUTZKT-HZPDHXFCSA-N 303.402 3.135 10 10 DGCE COC(=O)Cc1cc(Br)c2c(O)csc2c1 396269850 MOMVFXILAANUAG-UHFFFAOYSA-N 301.161 3.085 10 10 DGCE C[C@@H](N[C@H]1CNCCC1(F)F)c1ccc(N2CCCCC2)cc1 817979817 OVHAJPUYLDNADJ-PBHICJAKSA-N 323.431 3.325 10 10 DGCE Cc1cc(CN2CCC[C@@]3(CCCOC3)C2)ccc1N(C)C 815056376 OUSRGTZKPIATIP-LJQANCHMSA-N 302.462 3.454 10 10 DGCE Cc1cc(O)c(CNC2CCN(C3CCC3)CC2)cc1Cl 825143201 FIECIXOYNHEVFJ-UHFFFAOYSA-N 308.853 3.461 10 10 DGCE C[C@H](O)c1ccc(N2CCS[C@H](C(F)(F)F)C2)c(F)c1 721381471 DKYLDTALLJZTGA-UFBFGSQYSA-N 309.328 3.363 10 10 DGCE Oc1cc(F)c(Cl)cc1CN[C@@H]1C[C@@H](O)c2ccccc21 827172338 RIAMONHTGZNRPA-GDBMZVCRSA-N 307.752 3.453 10 10 DGCE COC(C)(C)[C@H](C)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 903331827 NZQVYTYMWLVZJM-KGLIPLIRSA-N 324.440 3.126 10 10 DGCE C[C@@H](CC(=O)NCc1ccc2c(c1)CCCN2C)c1cccnc1 734429296 LLHZFGJWSADWCF-HNNXBMFYSA-N 323.440 3.274 10 10 DGCE COC[C@@H](C)n1ccc(NC/C=C\c2ccc(N(C)C)cc2)n1 835047188 ZZSZCTDNJZKLNO-IYKSTZQJSA-N 314.433 3.282 10 10 DGCE C[C@@H](NCC1=CCOCC1)c1cc(Br)ccc1O 834860621 SYQPWSQJDCAKRO-SNVBAGLBSA-N 312.207 3.152 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCC[C@H](c3ncc[nH]3)C2)cc1 835025803 NPLVQYMPIUPLEF-IVZVJUQRSA-N 310.445 3.369 10 10 DGCE CC[C@H](NC[C@H]1CN(C2CC2)C(=O)O1)c1cc(Cl)ccc1O 848570168 KEMYMZLLECJMNL-JSGCOSHPSA-N 324.808 3.070 10 10 DGCE COc1ccc(O)c([C@@H](C)N[C@H](C)Cc2ccn(C(C)C)n2)c1 845973095 XAYNPNWYUCMRFI-ZIAGYGMSSA-N 317.433 3.460 10 10 DGCE Cc1cc(O)c(CNc2ccc3c(c2)CNCCO3)c(Cl)c1 841082673 OYNMUNHFBXYJBF-UHFFFAOYSA-N 318.804 3.448 10 10 DGCE C[C@H](N[C@H]1C[C@H](O)c2ccccc21)c1cc(F)cc(F)c1O 850529137 PJHSBVYEFXXIGC-RWJJJZRFSA-N 305.324 3.499 10 10 DGCE COc1ccccc1[C@H](C)NC(=O)NCc1cc(C)ccc1O 858091917 JYISZNJPNJKBKL-ZDUSSCGKSA-N 314.385 3.270 10 10 DGCE COc1ccc(O)c([C@H](C)NCCC[C@@H]2CCCC[C@@H]2O)c1 756762207 WOFLTMWNVILBSH-ZQIUZPCESA-N 307.434 3.383 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)c3cscc3C)C2)cc1 855231402 LQWZAPOZHXTNAW-ZDUSSCGKSA-N 316.426 3.074 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)Nc1ccc(Br)cc1 244093224 UEZHQARDROWGRR-UHFFFAOYSA-N 322.158 3.042 10 10 DGCE CC[S@@](=O)CCN[C@@H](C)c1ccc(N2CCCCCC2)cc1 765946439 RDZBUQFRGQNUED-KSFYIVLOSA-N 322.518 3.486 10 10 DGCE Cc1ccc(O)c(CNC(=O)Nc2scnc2C2CC2)c1 860839370 HJVVGYHQGOJVRG-UHFFFAOYSA-N 303.387 3.356 10 10 DGCE CCCN(CCC)c1ccc(CN2CCCC[C@@H]2C(N)=O)cc1 768184963 KHGRCSSUANEPRF-GOSISDBHSA-N 317.477 3.153 10 10 DGCE CCOc1cccc(CNc2cc(C)cc(OCCO)c2)c1O 775034535 ULGRLSCTIBBASX-UHFFFAOYSA-N 317.385 3.083 10 10 DGCE C[C@@H](O)C(C)(C)NCc1cc(Cl)cc(Br)c1O 708100164 SLYDGESXEBDBPZ-SSDOTTSWSA-N 322.630 3.057 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CC[C@H]2COC[C@@H]2C1 690798856 KQCRXBWVCODSCW-ONGXEEELSA-N 302.201 3.167 10 10 DGCE C[C@H](NC[C@@H]1CCN1Cc1ccccc1)c1c(O)cccc1O 716297549 IHDYUPYJIAGIQN-HOCLYGCPSA-N 312.413 3.023 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)c1cc2c(s1)CCSC2 692850520 YVVVXDZKELQHFE-JTQLQIEISA-N 308.432 3.452 10 10 DGCE Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)CO2 1149786323 YQHJCUKKWMOVEB-CQSZACIVSA-N 324.340 3.021 10 10 DGCE COc1ccc(N(C)[C@](C)(CN)COCc2ccccc2)cc1 699400113 DBDVMYOZDZBFBQ-LJQANCHMSA-N 314.429 3.066 10 10 DGCE CN(CCNC(=O)C1CC1)c1ccc(OCc2ccccc2)cc1 1169342247 JGWAZGUGXKGFOK-UHFFFAOYSA-N 324.424 3.228 10 10 DGCE Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)c1ccccc1O 1171729656 FVKHAEFFMDXKIN-NSHDSACASA-N 300.314 3.100 10 10 DGCE C[C@H](N[C@@H]1CC[C@H]2[C@H](C1)C2(F)F)c1cc([N+](=O)[O-])ccc1O 1327604971 DNZKWLQKSOGEOI-FQPOAREZSA-N 312.316 3.385 10 10 DGCE Cc1ccc(C(F)(F)C(=O)NCc2c(O)cccc2F)cc1 1178412594 AZMPCAPPUDRNJA-UHFFFAOYSA-N 309.287 3.248 10 10 DGCE Cc1cc(C(=O)NCc2c(O)cccc2F)c(C)n1C1CC1 1335310826 GHMRXEJHNGQTIY-UHFFFAOYSA-N 302.349 3.215 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)[C@@H]1CCC[C@@H](F)C1 1348353611 GJJIUCCKFXPVEU-TZMCWYRMSA-N 302.349 3.085 10 10 DGCE CN(CCN=[N+]=[N-])C(=O)C1(c2ccc(Br)cc2)CC1 1912186177 ANGLSCGPSBRNEY-UHFFFAOYSA-N 323.194 3.249 10 10 DGCE CCc1nnc(N(C)CC)n1Cc1ccc(N(CC)CC)cc1 1292824053 FPTBUMBLLXMFRX-UHFFFAOYSA-N 315.465 3.191 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)c1cc(Cl)ncc1C 1521374018 BXLLNHBNCPAROX-UHFFFAOYSA-N 317.820 3.348 10 10 DGCE Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC/C=C/CO)c1 1469971136 DPPLZNJMCCYDII-ONEGZZNKSA-N 318.804 3.026 10 10 DGCE COc1ccc(N(CC[C@@H]2COC(C)(C)O2)CC2CC2)cc1 1618018348 KLAGHKLXMXBHBL-QGZVFWFLSA-N 305.418 3.453 10 10 DGCE C[C@H]1CN(C(=O)/C=C/c2cccnc2)c2cc(F)c(F)cc2O1 1617199882 LKYZXORJINQMGF-ZWNMCFTASA-N 316.307 3.187 10 10 DGCE Cc1cc(C(=O)NCc2ccc(O)cc2O)c(C)cc1Cl 1626837851 HABTUWSXPFUARW-UHFFFAOYSA-N 305.761 3.298 10 10 DGCE CN[C@H](c1ccccc1O)[C@H]1CCCN1C(=O)OC(C)(C)C 1928475346 WYYOLNRUUGEMSV-UKRRQHHQSA-N 306.406 3.052 10 10 DGCE CNc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)nc1 1638693587 HEFDWHWORSISHD-UHFFFAOYSA-N 324.428 3.044 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)c1ccc(F)c(F)c1 1630525996 AGNFHNPUDWNXCH-UHFFFAOYSA-N 314.291 3.149 10 10 DGCE O=C(NCc1ccc(O)cc1O)c1ccc(C(F)F)cc1F 1639444437 LPEDYOOAKIEGTK-UHFFFAOYSA-N 311.259 3.105 10 10 DGCE [N-]=[N+]=NCCCCNS(=O)(=O)c1cc(Cl)ccc1Cl 231733428 MCXQXXGZNGWNEW-UHFFFAOYSA-N 323.205 3.362 10 10 DGCE C[C@@H](NC(=O)c1cc(O)cs1)c1ccc(C(F)(F)F)nc1 1594629832 LKQLHJHTFDKXBY-SSDOTTSWSA-N 316.304 3.359 10 10 DGCE CCCc1cc(C(=O)NCc2c(O)ccc3ccccc23)n[nH]1 1597737217 SLOJOUIBSXLCLK-UHFFFAOYSA-N 309.369 3.151 10 10 DGCE CC1(C)CC(NC(=O)NCc2c(O)ccc3c2CCCC3)C1 1684055104 QRTXFBOBBLCSSX-UHFFFAOYSA-N 302.418 3.259 10 10 DGCE CCCN[C@H](c1ccccc1O)C1(NC(=O)OC(C)(C)C)CC1 1936984217 UTUPWKYZJQLYPJ-OAHLLOKOSA-N 320.433 3.490 10 10 DGCE Cc1cc(OCCC(F)(F)F)ccc1N1CCC(N)CC1 157876291 DHVQJSXXELUBDM-UHFFFAOYSA-N 302.340 3.254 10 10 DGCE Cc1ccc(CNCc2ncc(Br)s2)c(O)c1 877766458 BVUCNSVBUCENJH-UHFFFAOYSA-N 313.220 3.209 10 10 DGCE CC[C@@H]1COCCN(Cc2cccc(Br)c2O)C1 1964594688 REYBJXXURPXIPG-NSHDSACASA-N 314.223 3.013 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CN(CCCN=[N+]=[N-])CC2(CCC2)C1 1982250215 OWTXPBDASXIURR-ZDUSSCGKSA-N 323.441 3.456 10 10 DGCE CN[C@H](c1ccccc1O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 259965181 RKYGAZHHDDHMGY-CJNGLKHVSA-N 320.433 3.300 10 10 DGCE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](COc1ccc(N)cc1)C2 1992425750 ORDIMIZUKMBINS-INWMFGNUSA-N 318.417 3.436 10 10 DGCE C[C@H]1CC(F)(F)CN1c1ccc(CN)c(Br)c1 2004605889 RADBRTIVALSYQT-QMMMGPOBSA-N 305.166 3.142 10 10 DGCE C[C@H]1[C@@H](C(=O)O)CCCN1Cc1cc(Cl)cc(Cl)c1O 384248272 LATTVRGCQQTFDF-KWQFWETISA-N 318.200 3.384 10 10 DGCE CCc1nn([C@@H](c2cc(C)c(C)cc2O)C(C)C)c(N)c1N 2079952128 DHRCFIXRZVPOFF-MRXNPFEDSA-N 302.422 3.178 10 10 DGCE C[C@H]1[C@@H](C)[C@@H]1CN(C)c1cc(Br)c(CN)cc1F 2043303735 IJBMCJWILFMZHU-JZYVYDRUSA-N 315.230 3.385 10 10 DGCE CN(Cc1ccc(F)c(F)c1O)C[C@@](C)(F)C(F)(F)F 2191875274 QVYZCDWZZXSYNO-LLVKDONJSA-N 301.230 3.393 10 10 DGCE O=C(O)C=Cc1ccc(N2C[C@H]3C=C[C@H]2C3)cc1Br 2089869917 JDESWEVQIZRYMB-JQWIXIFHSA-N 320.186 3.312 10 10 DGCE CN(C)c1ccc([C@@H](NN)c2snc(Cl)c2Cl)cc1 2110894690 GHKMKDVQXPCZDJ-SNVBAGLBSA-N 317.245 3.069 10 10 DGCE [N-]=[N+]=NC1CCN(C(=O)c2cc(Cl)cnc2Cl)CC1 2228452058 SYPGEWPREVIXDH-UHFFFAOYSA-N 300.149 3.303 10 10 DGCE OCc1ccc(N2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2)cc1Br 2228690398 QHIQOGFSSPKZCC-BAESOJJISA-N 320.230 3.200 10 10 DGCE CSc1ncc(CNc2ncc(C(F)(F)F)cn2)s1 2269194157 AMZNTEXCOYMTMV-UHFFFAOYSA-N 306.338 3.286 10 10 DGCE C[C@H](CNCc1cc(Cl)cc(Cl)c1O)Cc1cn[nH]c1 2290422174 GBNDRXVGSZRGTK-VIFPVBQESA-N 314.216 3.391 10 10 DGCE Cc1cc(O)c([C@@H](C)N2CC[S@@](=O)C(C)(C)C2)cc1Cl 2286455795 KVGQFNGWVSACSF-BIBXISHDSA-N 315.866 3.258 10 10 DGCE O=C1C(=Cc2ccccn2)SC(=S)N1Cc1ccccc1 2296667810 LUQDLMPMKVOELA-UHFFFAOYSA-N 312.419 3.483 10 10 DGCE COc1ccc(C=C2SC(=S)N(CC(C)C)C2=O)cc1O 2297363130 YYKSVRZURBZQHT-UHFFFAOYSA-N 323.439 3.258 10 10 DGCE C[C@@H](c1ccco1)N(C(=O)C=Cc1ccc(O)c(O)c1)C1CC1 2307986605 LEINHWGRHSUBDQ-LBPRGKRZSA-N 313.353 3.456 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)cc1Br 2308719449 UTWDGEGATVKERC-SVUUNPHSSA-N 307.235 3.313 10 10 DGCE CCN(CCN=[N+]=[N-])C(=O)c1cc(F)ccc1Br 2315988781 LUPWFCAQOOSMFU-UHFFFAOYSA-N 315.146 3.361 10 10 DGCE CNCc1ccc(N(C)CCCSC)c(Br)c1 305933380 FJQWKAXOGRVOPG-UHFFFAOYSA-N 317.296 3.358 10 10 DGCE Nc1ccc(CNC(=O)c2cccn2Cc2ccccc2)cc1 303702042 UUYOYLAFVYQWDL-UHFFFAOYSA-N 305.381 3.049 10 10 DGCE CC[C@H](C)COC(=O)/C=C/c1ccc(N2CCOCC2)cc1 124358938 NJCTYQZMDWHSGG-PPYMECGQSA-N 303.402 3.126 10 10 DGCE CN(C(=O)COCc1ccccc1Cl)c1ccc(N)cc1 37274847 RYUBGQUIHJEFQF-UHFFFAOYSA-N 304.777 3.102 10 10 DGCE Cc1cc(Cl)cc(CN2CCC[C@@H]2c2cnn(C)c2)c1O 180053184 MKFNQUPOWQGQNG-OAHLLOKOSA-N 305.809 3.425 10 10 DGCE CN(C)c1ccc([C@@H](Nc2cccc(Cl)c2)C(N)=O)cc1 37942502 MUVLKSXVNXQITD-OAHLLOKOSA-N 303.793 3.045 10 10 DGCE O=C1CC[C@@H]2CN(Cc3cc4c(cc3O)OCO4)c3cccc1c32 185629742 APAGQVZMSPWEFM-LLVKDONJSA-N 323.348 3.201 10 10 DGCE OC[C@@H]1CCCCCN1c1ccc(CNC2CC2)cc1Cl 133873358 XTVOSKBQXGKTLA-HNNXBMFYSA-N 308.853 3.333 10 10 DGCE Nc1ccc(CCN2CC[C@H](COCc3ccccc3)C2)cc1 383873813 YGGZJJGMOSLQRO-IBGZPJMESA-N 310.441 3.350 10 10 DGCE COc1ccc(O)c(CN[C@H](c2ccccc2)[C@@H]2CCOC2)c1 362043879 YBJNKAWSPRCFAN-DNVCBOLYSA-N 313.397 3.268 10 10 DGCE CCOc1ccc(O)c(CN2CCCC[C@H]2c2ccnn2C)c1 281349521 UACIYINAGSYULX-KRWDZBQOSA-N 315.417 3.252 10 10 DGCE CN(C)c1ccc([C@H](N)CN[C@@H]2CCCc3ccccc3C2)cc1 817944226 YCPSLDQOALGBIK-TZIWHRDSSA-N 323.484 3.290 10 10 DGCE C[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@](C)(C(F)F)O1 827962090 FSCPUMZUXPYIBU-MEDUHNTESA-N 316.367 3.136 10 10 DGCE Cc1cc(O)c(CN2CCC[C@@H](C(=O)NC(C)C)C2)cc1Cl 827674020 KETPHAPNNZXZAZ-CYBMUJFWSA-N 324.852 3.091 10 10 DGCE C[C@@H](N[C@@H](CCN(C)C)c1cccnc1)c1cc(F)ccc1O 903381872 ZJUPOCXANYVBII-DYVFJYSZSA-N 317.408 3.270 10 10 DGCE C[C@H]1CN(C(=O)c2cc(O)cs2)C[C@H](c2ccccc2)O1 731871069 DAWJXXCFHAXUGG-SMDDNHRTSA-N 303.383 3.056 10 10 DGCE CN(C)c1ccc(/C=C/CNC[C@H]2CC[C@H](C(=O)O)CC2)cc1 903989097 QLSWHLIONRJESA-GQEDJZSUSA-N 316.445 3.246 10 10 DGCE O=C(NCCCSc1nccs1)C1(C(F)(F)F)CC1 733971949 GYEMIYWHRAWZAG-UHFFFAOYSA-N 310.366 3.084 10 10 DGCE CN(C)c1ccc(/C=C\CNC[C@H](O)c2cccc(F)c2)cc1 835034355 AHUATHUPHXMSNK-HMECNJMJSA-N 314.404 3.228 10 10 DGCE Cc1ccn([C@H](C)CC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1 832437101 XDEHZOYEBIKRGY-CABCVRRESA-N 314.433 3.086 10 10 DGCE COc1ccc(O)c(CNC(=O)[C@@H]2CCCC[C@H]2C2CC2)c1 843830284 FMHPWJSQZSOETN-JKSUJKDBSA-N 303.402 3.233 10 10 DGCE CC[C@@H](NCc1cc(Cl)cc(OC)c1O)[C@@H]1CCCCO1 848928016 UETBHCFYEKCMMF-KGLIPLIRSA-N 313.825 3.492 10 10 DGCE CC[C@H](N[C@H]1CCN(C2CCC2)C1=O)c1cccc(Cl)c1O 858602853 KFHLDLCKZWWOCD-GJZGRUSLSA-N 322.836 3.240 10 10 DGCE Cc1cc(CC(=O)N[C@H](C)c2ncc[nH]2)c(C)n1-c1ccccc1 854593965 ABVDKFCMDAUESV-CQSZACIVSA-N 322.412 3.237 10 10 DGCE CC1(C)CCCN(c2ccnc(N3Cc4cccc(O)c4C3)n2)C1 866116838 CCLOJDJBMNYJJH-UHFFFAOYSA-N 324.428 3.329 10 10 DGCE Nc1ccc(Cn2cccc(OCc3cccc(F)c3)c2=O)cc1 57874944 PLFKFJBKUSCUKL-UHFFFAOYSA-N 324.355 3.197 10 10 DGCE CN(C)c1ccc(CN2CCC[C@@H]([C@H]3CCOC3)C2)cc1F 770374989 PMYCBBQNBZIEDN-CVEARBPZSA-N 306.425 3.140 10 10 DGCE C[C@@H]1C[C@H](CN(Cc2ccccc2O)C[C@H]2CCCO2)CCO1 778991584 AQNPFXNPPHPUKK-JFIYKMOQSA-N 319.445 3.188 10 10 DGCE Cn1cnc(/C=C\C(=O)N2CC(C)(C)Sc3ccccc32)c1 1126984369 ZDKZAFCCSXOMFB-HJWRWDBZSA-N 313.426 3.351 10 10 DGCE CC[C@@H](NCc1ncc[nH]1)c1cc(Br)ccc1O 80580345 RTUJZVHSPJFDHC-LLVKDONJSA-N 310.195 3.119 10 10 DGCE CO[C@@H](C)c1cccc(NC(=O)c2c(F)ccc(O)c2O)c1 789973550 HZCJTJSGVJVYNG-VIFPVBQESA-N 305.305 3.197 10 10 DGCE Cc1cc(Br)c(O)c(CN[C@]2(C)CCCOC2)c1 781638649 MWVCBMHZZPCQEF-CQSZACIVSA-N 314.223 3.122 10 10 DGCE O=C(NC[C@@H]1CC=CCC1)c1cc2cc(O)c(O)cc2s1 895902665 JKTAVCGODVZUBH-SNVBAGLBSA-N 303.383 3.399 10 10 DGCE CCC[C@](C)(CO)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 1137870678 YHYIJUAAQOOSQP-LJQANCHMSA-N 314.429 3.375 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNCC[C@@H](O)C(F)(F)F 717410424 ZRZMYIXTWGFRJR-SECBINFHSA-N 318.122 3.102 10 10 DGCE Nc1cccc(Br)c1N[C@H]1CCCN(C2CCC2)C1 2116448586 KHMNKFONQPHOSL-NSHDSACASA-N 324.266 3.460 10 10 DGCE Nc1ccc(COc2cc(Br)nc(C3CC3)n2)cc1 2128245647 VDIPIBIEWUIHLN-UHFFFAOYSA-N 320.190 3.278 10 10 DGCE Cc1cc(O)c(CN2CCO[C@](C)(C(F)F)C2)cc1Cl 1330434200 HQHSZXYXKGBBRI-AWEZNQCLSA-N 305.752 3.210 10 10 DGCE CCNCc1ccc(N2CC(N(C)Cc3ccccc3)C2)c(C)c1 1914221432 RBXKFRGJZOLHHG-UHFFFAOYSA-N 323.484 3.425 10 10 DGCE CC/C(C)=C/C(=O)N[C@H](C)[C@H](C)NCc1ccc(OC)c(C)c1 1275395757 WVRMTNZZHQKILF-LSALWYQZSA-N 318.461 3.343 10 10 DGCE Nc1ccc(NC(=O)C=Cc2ccc(Br)o2)cc1 1911927768 PYHZLFTUGBDVGT-UHFFFAOYSA-N 307.147 3.276 10 10 DGCE [N-]=[N+]=N[C@H]1CCN(C(=O)CSCc2ccc(Cl)cc2)C1 1912184322 DRYFBWAUWZHJPM-LBPRGKRZSA-N 310.810 3.484 10 10 DGCE [N-]=[N+]=N[C@@H]1CCN(C(=O)CSCc2cccc(Cl)c2)C1 1912179332 SVBVLPRKLHVYJW-GFCCVEGCSA-N 310.810 3.484 10 10 DGCE CCN[C@H](c1ccccc1O)[C@]1(C)CCN1C(=O)OC(C)(C)C 1912946833 XRLSUYQJCGQXLE-QAPCUYQASA-N 320.433 3.442 10 10 DGCE Cc1ccc(Br)cc1NCc1ccc(O)c(O)c1O 226748257 OVQPFIIUHZYUBJ-UHFFFAOYSA-N 324.174 3.486 10 10 DGCE C[C@@H](NC(=O)CCCc1nccs1)c1ccc(N(C)C)cc1 1616834773 MHQBWENQLQXKMF-CYBMUJFWSA-N 317.458 3.409 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)Nc1cc(C2CCCCC2)[nH]n1 1635128471 DTHRAQWBMIQMRT-UHFFFAOYSA-N 315.373 3.050 10 10 DGCE CC[C@@H](C(=O)NCc1c(O)cccc1O)c1ccc(F)cc1 1635847179 JQJUOBDTFZGAFT-CYBMUJFWSA-N 303.333 3.047 10 10 DGCE CN(CCn1ccccc1=O)c1ccc(-c2nccs2)cc1 1658932022 CWADMNJWSUPFFS-UHFFFAOYSA-N 311.410 3.108 10 10 DGCE O=C(c1cscc1Br)N1Cc2cccc(O)c2C1 1650675215 UAMAMBWQAQGQRR-UHFFFAOYSA-N 324.199 3.372 10 10 DGCE Cc1ccc2[nH]cc(CCNC(=O)NCc3ccccc3O)c2c1 1684721996 GDILJKUUTZSRMZ-UHFFFAOYSA-N 323.396 3.224 10 10 DGCE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(CCCN=[N+]=[N-])C1 1962287464 IHGQMNMVCZOAKR-OLZOCXBDSA-N 311.430 3.312 10 10 DGCE COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C/c1ccco1 5701200 CLHJSIOPZQWFME-LFIBNONCSA-N 323.348 3.152 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1[C@@H](N)c1ccccc1O 1936977907 VRKOQFTUFFYKMC-JGGQBBKZSA-N 320.433 3.476 10 10 DGCE CCCN(CCC)c1ccc(CNc2nc(C)nn2C)cc1 162448150 UKPQXMRBFICQAE-UHFFFAOYSA-N 301.438 3.362 10 10 DGCE CN1C(=O)/C(=C\c2ccc(N3CCCCC3)o2)SC1=S 205772598 KSOAAWFILAVRIB-PKNBQFBNSA-N 308.428 3.101 10 10 DGCE CCOc1ccc(/C=C2\C(=O)N(CC)N=C2C(F)(F)F)cc1 1865669094 BASWZBNYGZUDMZ-XFXZXTDPSA-N 312.291 3.249 10 10 DGCE Cc1nscc1CNCc1cccc(Br)c1O 1945110692 WOLYWPDGGBRWOY-UHFFFAOYSA-N 313.220 3.209 10 10 DGCE C[C@@H](NCCC1(NC(=O)OC(C)(C)C)CC1)c1ccccc1O 1972579910 GEBMMMQJMVETCP-CYBMUJFWSA-N 320.433 3.490 10 10 DGCE CC[C@H](N[C@H]1C[C@@H]1CNC(=O)OC(C)(C)C)c1ccccc1O 1973247960 KCXWNTAJJLGMIG-SNPRPXQTSA-N 320.433 3.346 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@H]1C[C@@]12CCOC2 1974202672 RPWKMFNSPMVOQX-QMTHXVAHSA-N 302.201 3.215 10 10 DGCE CC[C@@H](C[C@H](N)c1ccc(N(C)C)cc1)NC(=O)OC(C)(C)C 1977945196 MFDCHAWRTRMNJT-HOCLYGCPSA-N 321.465 3.446 10 10 DGCE C[C@@H](N)c1cc(F)c(N2CC(OCc3ccccc3)C2)c(F)c1 1990444469 OAPMDICRWJCSMY-GFCCVEGCSA-N 318.367 3.390 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@@H](F)C[C@H]2C)c(Br)c1 1997694637 XBHDZSRVFCWGCT-KKZNHRDASA-N 301.203 3.406 10 10 DGCE NCc1ccc(N2C[C@@H]3CN(Cc4ccccc4)CC[C@H]3C2)cc1 310225274 GRNNESHKOPBCRB-PMACEKPBSA-N 321.468 3.104 10 10 DGCE CN1CCCc2cc(CNCc3cnc(Cl)s3)ccc21 718192506 MXZXBGFMHNHTBH-UHFFFAOYSA-N 307.850 3.469 10 10 DGCE OCc1cc(C2CC2)nn1Cc1cccc(C(F)(F)F)c1O 2070117301 MNEYVYOBTXEIMH-UHFFFAOYSA-N 312.291 3.026 10 10 DGCE CO[C@@H]1CCN(c2cc(Cl)c(CN)cc2F)C(C)(C)C1 2177386091 VUTMMRLYIXUMLL-LLVKDONJSA-N 300.805 3.332 10 10 DGCE CC(C)(O)[C@@H]1CCCCN1c1cc(Cl)c(CN)cc1F 2177383959 SSVHOURXSLQPSB-AWEZNQCLSA-N 300.805 3.068 10 10 DGCE CN(Cc1cnn(C(F)F)c1)c1ccc(CN)c(Cl)c1 2177341715 IQNDCSHENUTBGU-UHFFFAOYSA-N 300.740 3.027 10 10 DGCE Cc1cccc(CN[C@H](C)CCN(C)C(=O)OC(C)(C)C)c1O 1172956683 DNAXKFIGOBDWMA-CQSZACIVSA-N 322.449 3.436 10 10 DGCE Cc1cc(CNCc2cc(Cl)cc(Cl)c2O)nnc1C 2185744925 SIJNESLGFWIDSU-UHFFFAOYSA-N 312.200 3.396 10 10 DGCE C[C@H]1OCC[C@@H]1CN(C)Cc1ccc(Br)cc1O 2057475516 OPZSBOLBPLJGBO-GHMZBOCLSA-N 314.223 3.012 10 10 DGCE CN(CC[C@@H]1CC1(F)F)c1ccc(CN)cc1Br 2075413044 LGPFYSUKSJGIIY-SNVBAGLBSA-N 319.193 3.389 10 10 DGCE COc1ccc([C@H](C)N[C@H]2CCC=C2Br)c(O)c1 2076080054 UVSPXHJCECAVPL-ZANVPECISA-N 312.207 3.493 10 10 DGCE Cc1noc(C)c1CN(C)c1ccc(CN)c(Br)c1 2114162989 MJPSDXDWKLFJBX-UHFFFAOYSA-N 324.222 3.149 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@@]1(C2CC2)CCOC1 2230033435 RVNXKDKWNOGKEK-AWEZNQCLSA-N 302.201 3.358 10 10 DGCE CSc1ncc(CNC(=O)c2cc(N)cc(Cl)c2)s1 2269136338 YJCWOLXSTCPUMX-UHFFFAOYSA-N 313.835 3.031 10 10 DGCE CC[C@H](C)[C@@H]1CN(Cc2cnc(SC)s2)[C@H](CC)CN1 2284677037 MTDRCINUYYLTLV-SCRDCRAPSA-N 313.536 3.464 10 10 DGCE Cc1ccc(CN2CCSC[C@H]2C)c(O)c1Br 2307566246 UQKAWALOFNOGDH-SNVBAGLBSA-N 316.264 3.400 10 10 DGCE CCOc1cccc(C=C2C(=O)N(C)N=C2c2ccccc2)c1 2332116708 QZGRAXCYTYSALX-UHFFFAOYSA-N 306.365 3.345 10 10 DGCE Cc1ccc(N(C)Cc2ccc(C)c(Br)c2O)nn1 2352950392 RXCBIJGQCMNILB-UHFFFAOYSA-N 322.206 3.198 10 10 DGCE CCCN(Cc1cc([N+](=O)[O-])ccc1O)C[C@H]1CCCCO1 173348098 ZBPIRGHEFRHWJJ-OAHLLOKOSA-N 308.378 3.082 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H](F)[C@@H]1COc1ccc(N)cc1 1953062117 CAELJGPXZKXTGS-CABCVRRESA-N 324.396 3.385 10 10 DGCE C[C@@H](CCNCc1cccc(O)c1O)N(C)Cc1ccccc1 379659243 ZGMZECPPDNOFFK-HNNXBMFYSA-N 314.429 3.098 10 10 DGCE CCCN(Cc1cc(Cl)cc(OC)c1O)CC(C)(C)CN 229104410 PWDQCSKSBUWOLD-UHFFFAOYSA-N 314.857 3.251 10 10 DGCE Nc1ccc(CCC(=O)Nc2nc3c(s2)CCCC3)cc1 49551259 IDOUBXGJWDCMPZ-UHFFFAOYSA-N 301.415 3.175 10 10 DGCE CNCc1ccc(OC)c(C[S@](=O)c2ccc(C)cc2)c1 82002844 WUZGCPKRBBNXGX-OAQYLSRUSA-N 303.427 3.031 10 10 DGCE COc1ccc(CNC(C)(C)CNC(=O)OC(C)(C)C)cc1C 221047410 CSNRBOHTCGXZKO-UHFFFAOYSA-N 322.449 3.397 10 10 DGCE CN(C)c1ccc(CN2CC[C@@H](CNc3ccccn3)C2)cc1 92812384 CNNFCYVUAMLNRK-KRWDZBQOSA-N 310.445 3.082 10 10 DGCE Cc1cccc(NC[C@H]2CCN(Cc3ccc(N(C)C)cc3)C2)n1 92813008 KBWYBVGQGSWFGY-GOSISDBHSA-N 324.472 3.390 10 10 DGCE C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)[C@H](N)c1ccc(N(C)C)cc1 1895691983 MKVZFXXUWZUCLZ-CDHAZOANSA-N 319.449 3.056 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)[C@H]1CCCOCC1 374571806 KOLVIVLJVUCRBD-HNNXBMFYSA-N 305.418 3.338 10 10 DGCE C[C@H](N[C@H]1CCCCNC1)c1ccc(Cl)c(Cl)c1O 817983921 LSYJGMWPCIVLCX-UWVGGRQHSA-N 303.233 3.492 10 10 DGCE O=C(NCc1cc(Br)ccc1O)[C@@H]1CC[C@H]2C[C@H]2C1 817601543 ARAYBIWGXUPFMZ-AXFHLTTASA-N 324.218 3.207 10 10 DGCE NCc1ccc(N2C[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2)c(Br)c1 723193754 AWRJXPQWBLTXOP-XDQVBPFNSA-N 319.246 3.166 10 10 DGCE CC(C)CN(C/C=C/c1ccc(N(C)C)cc1)CCC(=O)O 901592619 GPEIQVSDOZSKSU-AATRIKPKSA-N 304.434 3.199 10 10 DGCE CCC[C@@H](C)CNCc1cc(F)c(N2CCOCC2)c(F)c1 839146595 NGNBTPCDKAKLRM-CYBMUJFWSA-N 312.404 3.327 10 10 DGCE Oc1cc2c(cc1CNC1(c3cccc(F)c3)CCC1)OCO2 842744218 QYAYCSSPMPTBNC-UHFFFAOYSA-N 315.344 3.429 10 10 DGCE CCCN(CCC)c1ccc(CN[C@H]2C=C[C@@H](C(=O)O)C2)cc1 841814156 QSVIFSHVWBGDCG-SJORKVTESA-N 316.445 3.432 10 10 DGCE Cc1ccc([C@@H](NC(=O)c2cc(O)cs2)C(F)(F)F)o1 848391711 OBFVIQJVDZEIMB-SNVBAGLBSA-N 305.277 3.389 10 10 DGCE CCc1noc([C@@H]2CC[C@H](N[C@H](C)c3c(O)cccc3F)C2)n1 927054525 VRTCQNVMNZDFPB-UTUOFQBUSA-N 319.380 3.464 10 10 DGCE O=C(NCc1c(O)cccc1F)C1(c2cccnc2)CCCC1 928706858 XPEHEAQYASWMLL-UHFFFAOYSA-N 314.360 3.055 10 10 DGCE COC[C@@H](CCN[C@H](C)c1cc(Cl)cc(C)c1O)OC 850487199 YEUPBCKESMVKQG-DGCLKSJQSA-N 301.814 3.056 10 10 DGCE CN1CCCc2cc(CN[C@@H](C3CC3)[C@H]3CCCOC3)ccc21 924869815 JDOGHXVXDVYPJS-ICSRJNTNSA-N 314.473 3.364 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCn3cncc32)cc1 857989831 PVOVPQYCIDYFCC-QGZVFWFLSA-N 320.396 3.165 10 10 DGCE Oc1ccccc1CNc1nccc(OCc2ccccc2)n1 760232334 RBZRWRUIYZGDJY-UHFFFAOYSA-N 307.353 3.373 10 10 DGCE C[C@H](NC(=O)N[C@@H]1C[C@]1(F)c1ccccc1)c1ccccc1O 868725810 PHNSGVLNJHYQML-XZOAIXRZSA-N 314.360 3.390 10 10 DGCE C[C@H]1C[C@H](Nc2ccc(N)cc2)CCN1C(=O)OC(C)(C)C 1959373652 LKLJISOEGOZOLN-SWLSCSKDSA-N 305.422 3.469 10 10 DGCE COc1ccc([C@@H]2C[C@H]2C(=O)N2Cc3cccc(O)c3C2)cc1 871206178 VESWSFOSTCSHSS-JKSUJKDBSA-N 309.365 3.047 10 10 DGCE Oc1c(F)cc(F)cc1CN1C[C@@]23CCCC[C@]2(COC3)C1 895350745 GYUIKRNBEABBMZ-IAGOWNOFSA-N 309.356 3.063 10 10 DGCE CC[C@@H](C)[C@@H](O)CNC(=O)c1sccc1-n1c(C)ccc1C 1137355930 TXHSLEMSWXLWLA-ABAIWWIYSA-N 320.458 3.292 10 10 DGCE CCN(Cc1ccc(Br)cc1O)[C@@H]1CCCOC1 691681868 ZANJCIURFRXCHJ-CYBMUJFWSA-N 314.223 3.156 10 10 DGCE CCn1ncc(C(=O)NCc2c(O)ccc3ccccc23)c1C 1157050399 GDMFDIKJYZUKLL-UHFFFAOYSA-N 309.369 3.000 10 10 DGCE Cc1cc(NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)n[nH]1 1542100237 XKKHJSGRMAENEF-UHFFFAOYSA-N 308.385 3.307 10 10 DGCE CCCCN(CC)Cc1ccc(N2CCNCC2)c(OCC)c1 212640826 HCKSWTAVGQWKBV-UHFFFAOYSA-N 319.493 3.117 10 10 DGCE COCC(C)(C)CCCNC(=O)c1ccc(N=NC(N)=O)cc1 1625757383 BBOMKPRCRFZMQH-UHFFFAOYSA-N 320.393 3.032 10 10 DGCE C[C@H](NC(=O)CCc1ccc(F)cc1F)c1ccccc1O 1632250640 ZSXQGPBDXRFTJW-NSHDSACASA-N 305.324 3.480 10 10 DGCE CC1(C)CCC[C@@H]1CCNC(=O)/C=C\c1ccc(O)c(O)c1 1633668019 WAFOADHMMLTYOH-IQCBXXCUSA-N 303.402 3.444 10 10 DGCE CC(=O)N1CCc2cc(NCc3cc(F)cc(F)c3O)ccc21 1655356135 LKWCFELXWQOWER-UHFFFAOYSA-N 318.323 3.192 10 10 DGCE CC1(C)C[C@@H](NC(=O)c2c(F)ccc(O)c2O)c2ccccc21 1654412478 QAEKKAGGVSBQSK-CYBMUJFWSA-N 315.344 3.389 10 10 DGCE Cn1c(C(=O)NCc2c(O)cccc2F)cc(Cl)c1Cl 1596912147 MASHCBKZLCBWAO-UHFFFAOYSA-N 317.147 3.107 10 10 DGCE O=C(CCCn1cccc1)NCc1ccc(N2CCCC2)cc1 1595435981 OBPUYAFTEMAMKS-UHFFFAOYSA-N 311.429 3.185 10 10 DGCE COc1ccc2ccc(O)c(CN3[C@H]4CC[C@H]3CC(O)C4)c2c1 158548719 YCKREDYTCPJAHU-KBPBESRZSA-N 313.397 3.042 10 10 DGCE CCN(C[C@@H]1CCCO1)c1ccc(CN)cc1C(F)(F)F 163691366 MGMHYYFHGHVZIM-LBPRGKRZSA-N 302.340 3.169 10 10 DGCE Cc1cc2[nH]c(=Nc3ccc(C(=O)O)cc3O)oc2cc1Cl 1859858137 CMDNMRCOHMEMOX-UHFFFAOYSA-N 318.716 3.359 10 10 DGCE Nc1ccc(Oc2ccc(NC(=O)[C@H]3CCCCN3)cc2)cc1 1866039113 RDGIOEPVRIDTAG-QGZVFWFLSA-N 311.385 3.142 10 10 DGCE CCOc1cccc2c(O)cc(C(=O)Nc3ccc(N)cc3)nc12 1866506423 LEUYKPAIPYFUPA-UHFFFAOYSA-N 323.352 3.174 10 10 DGCE CN(C)[C@@H](CCNCc1c(O)cccc1Cl)C(F)(F)F 922752150 MYJXRIQHRLBGDF-LBPRGKRZSA-N 310.747 3.018 10 10 DGCE COc1cc(Cl)cc(CNC[C@@H]2C[C@@]23CC3(F)F)c1O 1876078719 QGBNDFIIBNSBNO-TVQRCGJNSA-N 303.736 3.189 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccccc1-c1cc[nH]n1 1179687711 UUIPPZYUBTVMCM-SOFGYWHQSA-N 321.336 3.140 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@H]1C[C@@H]2COC[C@@H]2C1 1967786296 DPKSFKXTFNYHGI-IAZYJMLFSA-N 302.201 3.214 10 10 DGCE CN(CCCCCN)c1ccc(CNC(=O)OC(C)(C)C)cc1 1977891487 KPNUDLARXKCRCE-UHFFFAOYSA-N 321.465 3.277 10 10 DGCE CN(C)c1ccc([C@@H](N)[C@]2(C)CCN2C(=O)OC(C)(C)C)cc1 1977944485 GOISSPNPKHHLGJ-QAPCUYQASA-N 319.449 3.152 10 10 DGCE CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](O)c1ccc(N(C)C)cc1 1977959140 QNQSXZWXJPWCFU-BBRMVZONSA-N 322.449 3.337 10 10 DGCE N[C@@H]1CCCc2cc(N(Cc3ccccc3)C3COC3)ccc21 1986600969 RBCXBOCPHSLGAJ-HXUWFJFHSA-N 308.425 3.428 10 10 DGCE C[C@H](COCc1ccccc1)CN1CCc2cc(CN)ccc21 1988539312 GSSSWQNHIGTXDN-INIZCTEOSA-N 310.441 3.361 10 10 DGCE C[C@@H](NC[C@H]1C=CCN1C(=O)OC(C)(C)C)c1ccccc1O 1992540113 LGLVQTHIHXQKOQ-ZIAGYGMSSA-N 318.417 3.218 10 10 DGCE Nc1ccc(CCN2CC3(CC(OCc4ccccc4)C3)C2)cc1 2000817113 DBTOMNVIRJUQHA-UHFFFAOYSA-N 322.452 3.493 10 10 DGCE C[C@@H](CN(C)c1ccc(CN)cc1Br)C(F)F 2012197402 YQGBLLCMVRMCGP-QMMMGPOBSA-N 307.182 3.245 10 10 DGCE CN(Cc1cc(Br)sn1)c1ccc(CN)cc1 2024816443 MRMARYGYTIXYEZ-UHFFFAOYSA-N 312.236 3.001 10 10 DGCE CN(Cc1ccc(N)cc1)Cc1sncc1Br 719889407 KVMKFJIDDDXPLW-UHFFFAOYSA-N 312.236 3.120 10 10 DGCE Cc1cc(C(=O)NC2CC2)n([C@H](C)c2cc(C)c(C)cc2O)n1 2070075692 GFXDEYUUDHOZCX-CYBMUJFWSA-N 313.401 3.015 10 10 DGCE CCNC(=O)c1cc(C2CC2)nn1[C@@H](C)c1cc(C)ccc1O 2070169436 URRFLONWVXMZSS-LBPRGKRZSA-N 313.401 3.134 10 10 DGCE CCNC(=O)c1cc(C2CC2)nn1[C@H](C)c1cccc(C)c1O 2070170606 ONYFLUFJRVVPJH-GFCCVEGCSA-N 313.401 3.134 10 10 DGCE CC(C)(C)[C@H]1CN(c2cc(Cl)c(CN)cc2F)CCO1 2177385148 JGFIUHXOVUHYAR-CQSZACIVSA-N 300.805 3.189 10 10 DGCE CN[C@H](c1ccc2c(c1)CCCN2C)c1nc(Cl)cs1 2196948055 AMUOXVIQISXHIU-CQSZACIVSA-N 307.850 3.488 10 10 DGCE CN(c1cc(Br)c(CN)cc1F)[C@@H]1CCC[C@@H]1F 2055388286 KUFPVIPZJDCPBS-CMPLNLGQSA-N 319.193 3.374 10 10 DGCE Oc1c(F)cc(Br)cc1CN[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32 2070882048 UHGHLKZGLKIPIJ-OHRLBVJMSA-N 312.182 3.038 10 10 DGCE CCNCc1ccc(N2C[C@H]3C[C@H]2[C@@H]2C[C@H]32)cc1Br 2103270783 KNLDOWJCFYCFAQ-MEWXFMAXSA-N 321.262 3.403 10 10 DGCE CCN(CC)CCSc1ncc(CNCC(C)C)s1 2099105989 STAGPOZJSDRLCD-UHFFFAOYSA-N 301.525 3.323 10 10 DGCE C[C@@H](N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C)c1ccccc1O 2211054631 KLKSSYIJQPRCBZ-NFAWXSAZSA-N 320.433 3.441 10 10 DGCE COCCN([C@H](C)COC)[C@H](C)c1ccc(Cl)cc1O 2203340345 YRWBCDYAEYXVHL-VXGBXAGGSA-N 301.814 3.090 10 10 DGCE C[C@H](c1ccc(Cl)cc1O)N1CCOC[C@@H]1C(F)(F)F 2203341246 QSPPXZSANYGBCI-PRHODGIISA-N 309.715 3.370 10 10 DGCE Cc1cc(N2CC3(CN(Cc4ccccc4)C3)C2)ccc1[C@H](C)N 2248950202 PRETTZNWZJIMMB-KRWDZBQOSA-N 321.468 3.337 10 10 DGCE CSc1ncc(CNc2ncc(N)cc2C(F)(F)F)s1 2284699062 LCXGIKFOMWVOHC-UHFFFAOYSA-N 320.365 3.473 10 10 DGCE Cc1nc2cc(C(=O)O)ccn2c1N=Nc1ccc2c(c1)OCO2 2320774311 PBZUHOXSUKNNFI-UHFFFAOYSA-N 324.296 3.485 10 10 DGCE CC(C)Oc1ccccc1C=C1C(=O)N(C)N=C1C(F)(F)F 2332133890 NEADFHPJNVOCEH-UHFFFAOYSA-N 312.291 3.248 10 10 DGCE Cc1ccc(CN(C)Cc2ccncc2)c(O)c1Br 2352649707 QHHQNFKVPBZPSP-UHFFFAOYSA-N 321.218 3.490 10 10 DGCE C[C@H](N)c1ccc(N(C)[C@@H]2CCSC2)c(Br)c1 61695010 BVKCCIVAPPHNIY-GXSJLCMTSA-N 315.280 3.411 10 10 DGCE C[C@@H](NC[C@@H](C)N(C)C(=O)OC(C)(C)C)c1ccc(O)cc1O 304317730 ROYXQPJXQMHWRQ-VXGBXAGGSA-N 324.421 3.004 10 10 DGCE O=C(/C=C/c1cc2ccccc2[nH]c1=O)N1CCc2ccccc21 62107617 GEUQYCIJNKZWPL-MDZDMXLPSA-N 316.360 3.131 10 10 DGCE CCN(CC)c1ccc(CN[C@@H]2C[C@H](C)N(C)C[C@@H]2C)cc1 178228606 LWCLQUVWULHIDA-TXPKVOOTSA-N 303.494 3.351 10 10 DGCE Cc1cc2c(N)cccc2n1C(=O)[C@@H](C)Cc1ccc(O)c(O)c1 170025767 MMKDVNIEFFAMPO-NSHDSACASA-N 324.380 3.462 10 10 DGCE Oc1ccc([C@@H](c2c[nH]c3ccccc23)N2CCOCC2)cc1O 71704636 SCYXSBKKDHDCOF-IBGZPJMESA-N 324.380 3.001 10 10 DGCE CCO[C@@H]1C[C@@H](NCc2cc(C)c(C)cc2O)C12CCOCC2 185652612 QTEZOPSZABDMLE-QZTJIDSGSA-N 319.445 3.073 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1cc(O)ccc1OC 188504405 HJCAOTNATGBTSG-UHFFFAOYSA-N 315.369 3.159 10 10 DGCE CCCNCc1ccc(N2C[C@@H](N(C)C)[C@H](C)C2)c(Cl)c1 124699718 KZUOZHKXGIEBHN-CXAGYDPISA-N 309.885 3.226 10 10 DGCE C[C@H](N[C@H](C)[C@@H]1CCCO1)c1cc(Br)ccc1O 185000329 PSZNNPRFKWKULJ-RBZYPMLTSA-N 314.223 3.373 10 10 DGCE CO[C@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)CC[C@H]1C 190193662 WCZJDPAZHYLSRG-WBMJQRKESA-N 307.434 3.252 10 10 DGCE CNCc1ccc(N2C[C@@H]3CCC[C@H]3C2)c(Br)c1 234436501 YASAVKWJOFTTSK-STQMWFEESA-N 309.251 3.405 10 10 DGCE O=C(/C=C\c1cnn(-c2ccccc2)c1)N1CCc2ccccc21 96911690 JNNXZFOJPNUHSK-KHPPLWFESA-N 315.376 3.475 10 10 DGCE C[C@@H]1CN(CCCCN[C@H](C)c2cc(F)ccc2O)C[C@@H](C)O1 248484167 DFKKSPCJDHUVNU-RBSFLKMASA-N 324.440 3.071 10 10 DGCE CC(C)n1ncc2c1C[C@@H](NCc1ccc3c(c1)CCO3)CC2 365133242 LUIGPBMBWSUJMZ-KRWDZBQOSA-N 311.429 3.046 10 10 DGCE C[C@]12C[C@H]1CCC[C@@H]2NCc1ccc(N2CCOCC2)c(F)c1 800475432 BTEQNFXBKCIUGH-MNEFBYGVSA-N 318.436 3.331 10 10 DGCE O=C(NCCC1(F)CCC1)NCc1ccc(N2CC=CC2)cc1 805145796 XVVDCLDTCFLJCP-UHFFFAOYSA-N 317.408 3.144 10 10 DGCE Cc1cc(Br)c(O)c(CN[C@H]2CCOC2(C)C)c1 824625215 GYJVDMFPPUVCHI-LBPRGKRZSA-N 314.223 3.120 10 10 DGCE CC(C)[C@@]1(C(=O)O)CCN(C/C=C\c2ccc(N(C)C)cc2)C1 901470098 ZKMPLCYFPYADAZ-SFFCAUCYSA-N 316.445 3.199 10 10 DGCE Cc1ccc([C@H](O)CNC/C=C/c2ccc(N(C)C)cc2)cc1 835034671 CKZWVTRRPUIWFA-DPZZJQGRSA-N 310.441 3.397 10 10 DGCE COc1cccc([C@H](C)NCCCc2c(C)noc2C)c1O 846151619 ZTKLKMUPIURCDJ-NSHDSACASA-N 304.390 3.289 10 10 DGCE COC[C@H](CC(C)(C)C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O 848564917 RWVJVUIAJQLREW-RYUDHWBXSA-N 310.394 3.402 10 10 DGCE CC[C@H]1C[C@@H](CN(C)CCN(C)c2ccc(OC)cc2)CCO1 846051294 FGAGJWARPXPFMS-WMZOPIPTSA-N 320.477 3.268 10 10 DGCE CCCN(C/C=C\c1ccc(N(C)C)cc1)C1CCNCC1 843044168 GAKAYBKVSLVABR-WAYWQWQTSA-N 301.478 3.230 10 10 DGCE COC(=O)CCC1CCN(Cc2cc3c(cc2O)CCC3)CC1 753173242 XEZYBLLEDUULIY-UHFFFAOYSA-N 317.429 3.046 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)Nc1cc(CO)c(F)cn1 853692116 PIWOASDIGHERLG-CYBMUJFWSA-N 317.408 3.131 10 10 DGCE Cc1cc(CNC(=O)N[C@H]2CC23CC3)c(C)n1-c1ccccc1 858554565 PQCBRATVLALQRX-KRWDZBQOSA-N 309.413 3.446 10 10 DGCE C[C@@H](N[C@H]1c2ccccc2CC[C@H]1O)c1cc(F)ccc1O 927139964 PGTDINPANLASTM-AFBMGJRZSA-N 301.361 3.230 10 10 DGCE COc1ccc(N2CC[C@@H](NCc3cc(F)ccc3F)C2)cc1 850345463 BAKJDQDPTYAKRJ-OAHLLOKOSA-N 318.367 3.342 10 10 DGCE O=C(O)CCC1CCN(Cc2cc(Cl)cc(F)c2O)CC1 854241712 UGQXBGJIOLLROR-UHFFFAOYSA-N 315.772 3.262 10 10 DGCE COc1cnccc1[C@H](C)NCc1cc(F)c(N(C)C)cc1F 858159158 XJDXNFRAPDVEAS-NSHDSACASA-N 321.371 3.285 10 10 DGCE C[C@@H](NCC[C@H]1CCOC1)c1ccc(Br)cc1O 757658629 SHFRLYDYXSXJSG-MNOVXSKESA-N 314.223 3.232 10 10 DGCE CN(C)c1ccc(CNC(=O)NC[C@H]2CCCC23CC3)cc1 859014638 LWXFYQUFUPIADC-OAHLLOKOSA-N 301.434 3.132 10 10 DGCE C[C@H](NCC[C@H]1COc2ccccc2O1)c1cc(F)ccc1O 756756967 ASUJKEMUWOOWLQ-JSGCOSHPSA-N 317.360 3.412 10 10 DGCE CN(C)c1ccc(CNc2ccn(C3CCOCC3)n2)cc1F 850384808 QXOHEGHVTZLUCE-UHFFFAOYSA-N 318.396 3.052 10 10 DGCE CC(C)C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H](C)c1ccccc1O 868516448 IIOXAAYWRDRPBI-LXZKKBNFSA-N 320.433 3.346 10 10 DGCE C[C@H](CC(=O)NCc1c(O)ccc2c1CCCC2)C(F)(F)F 860243528 PFDLZDXKQKZHCM-SNVBAGLBSA-N 315.335 3.476 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@H](C2CCC2)[C@@H]2CCOC2)c1 866512459 KWNRVTUPUFCJBF-WPKBUWHJSA-N 305.418 3.257 10 10 DGCE C[C@@H](NCc1nn(C)cc1C(F)F)c1ccc(N(C)C)cc1 866563750 QGGARJBFTSZWSQ-LLVKDONJSA-N 308.376 3.275 10 10 DGCE O=C(NCc1ccccc1O)c1cccc([C@@H]2CCCOC2)c1 767086975 CJRFMYSERKSMHA-QGZVFWFLSA-N 311.381 3.216 10 10 DGCE CN(C)c1ccc(CN[C@H]2CCN(Cc3ccccc3)C2)cc1 72670556 VLIUMFJHYZFBJP-IBGZPJMESA-N 309.457 3.117 10 10 DGCE CC(C)(CCNC(=O)OC(C)(C)C)NCc1ccccc1O 397445501 KYQAXUXVZKLSFY-UHFFFAOYSA-N 308.422 3.175 10 10 DGCE C[C@@H](O)c1ccc(N2CC(C(F)F)C2)cc1Br 706497484 RRAQZRPNPZJNDL-SSDOTTSWSA-N 306.150 3.204 10 10 DGCE CNC(=O)C[C@H](N[C@H](C)c1cc(F)ccc1O)c1ccccc1 795850652 CBANYBKCKMZUKZ-WBMJQRKESA-N 316.376 3.059 10 10 DGCE CC[C@@H](C)n1ncc(C(=O)N(C)Cc2ccccc2O)c1C 790772466 MBQLGFQBGCZMTB-GFCCVEGCSA-N 301.390 3.140 10 10 DGCE CC1=C[C@H](C)CN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 797440993 KTSFCAMWJKETBY-AWEZNQCLSA-N 313.445 3.177 10 10 DGCE NCc1ccc(N2CCCC3(CC3)C2)c(F)c1Br 695098530 HRUAMMXXLHIIOY-UHFFFAOYSA-N 313.214 3.427 10 10 DGCE Cc1ccc(C(=O)NCC2(OC(C)C)CCCCC2)c(O)c1O 1149713643 NQIOZSWETITALZ-UHFFFAOYSA-N 321.417 3.264 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)[C@]2(C)CCC[C@@H]2C)cc1 1300279572 HXVYTCMQEQNTLG-HNAYVOBHSA-N 318.461 3.416 10 10 DGCE Cc1ccc(Cl)cc1CNC(=O)c1c(F)ccc(O)c1O 1161870133 ATVBVXXXEITJCC-UHFFFAOYSA-N 309.724 3.129 10 10 DGCE Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCCC[C@H]1CCOC1=O 1332276934 LAFBRSBDCOSMFN-HZSPNIEDSA-N 303.402 3.182 10 10 DGCE COc1nc(C)cc(N[C@H](C)Cc2ccc(N(C)C)cc2C)n1 1186729926 JMAJTXJGVOIMJG-CYBMUJFWSA-N 314.433 3.211 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)Cc1ccc(O)cc1C 1347014583 JTXJNAKFBAGZJO-UHFFFAOYSA-N 313.397 3.388 10 10 DGCE [N-]=[N+]=N[C@@H]1CCN(CC(=O)Nc2c(Cl)cccc2Cl)C1 1912143702 JNPFGPLNQDBTQP-MRVPVSSYSA-N 314.176 3.317 10 10 DGCE CCn1ccnc1CN(C)Cc1ccc(Br)cc1O 1913380944 SKBBKYOOOFVNKX-UHFFFAOYSA-N 324.222 3.003 10 10 DGCE O=C(NCc1cccc(Cl)c1O)c1cc(-c2ccco2)on1 1457039577 XMPWZDQVJAIITB-UHFFFAOYSA-N 318.716 3.224 10 10 DGCE Cc1cc(CN2CCN(C)C[C@H]2CC(C)C)ccc1N(C)C 1473824269 DURWSGGKUXOTSS-GOSISDBHSA-N 303.494 3.223 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](C)CC(C)(C)O 1624370733 VSDHGVMAXCOPLF-LLVKDONJSA-N 320.458 3.435 10 10 DGCE Cc1cccc(Cl)c1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 1633819957 YASJDPVKJNNRGM-LLVKDONJSA-N 319.788 3.421 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@H]1CCO[C@H]1C1CC1 230314940 OXYKFUXTDMGHRP-JSGCOSHPSA-N 302.201 3.356 10 10 DGCE CC1CCN(c2ccc(CNC(=O)[C@@H]3CC[C@H](C)O3)cc2)CC1 153426337 CKTNUNCRVHVDBF-YJBOKZPZSA-N 316.445 3.107 10 10 DGCE Cc1ccc(O)c(CNCCC(=O)Nc2cccc(Cl)c2)c1 1857854407 ZJVPKQBZQDUOGW-UHFFFAOYSA-N 318.804 3.472 10 10 DGCE CC(C)(C)[C@@](C)(O)CNCc1cc(Br)ccc1O 1964606475 PFZCSWRPBXEDPW-AWEZNQCLSA-N 316.239 3.041 10 10 DGCE C[C@H](O)c1ccc(N2CCOC[C@H]2C(F)(F)F)c(Cl)c1 2150362554 MVKMYPMVHIWSGF-UFBFGSQYSA-N 309.715 3.161 10 10 DGCE CN(Cc1cc(Cl)cc(Cl)c1O)CC(C)(C)C(=O)O 1972162215 DVENVJJZTQGMAZ-UHFFFAOYSA-N 306.189 3.242 10 10 DGCE C[C@@H]1C[C@H]([C@H](O)c2ccc(N(C)C)cc2)N1C(=O)OC(C)(C)C 1977939392 PULMKXVNWYZGED-DAXOMENPSA-N 320.433 3.184 10 10 DGCE C[C@H](CCCCCO)Nc1c(N)cccc1Br 2006109406 WEOAXMVPEDBOJY-SNVBAGLBSA-N 301.228 3.384 10 10 DGCE C[C@H]1CN(c2ccc(CN)c(Br)c2F)CC1(F)F 2040576566 NHRLTOHDDRBANK-ZETCQYMHSA-N 323.156 3.138 10 10 DGCE COCCNCc1ccc(N2CCC[C@H](F)C2)c(Cl)c1 689494375 MOMOWFDBAXGFEQ-ZDUSSCGKSA-N 300.805 3.014 10 10 DGCE Oc1cccc(Br)c1CN1CCC[C@H](CF)C1 711494685 BXNVDYBJLCZLMU-SNVBAGLBSA-N 302.187 3.336 10 10 DGCE Cc1cc(O)c([C@@H](C)n2nc(C3CC3)cc2C(=O)O)cc1C 2070003836 OIUKYJHWTZYIAN-LLVKDONJSA-N 300.358 3.390 10 10 DGCE CC(C)c1cc(N)n(Cc2ccc(Br)cc2O)n1 2070117391 GVJLQTGZSKWHRS-UHFFFAOYSA-N 310.195 3.105 10 10 DGCE Oc1cc(Br)ccc1Cn1ncc(C2CCC2)c1O 2070246639 GRVVSRJJUBTZPC-UHFFFAOYSA-N 323.190 3.373 10 10 DGCE COc1ccc(Cn2nc(C3(C)CC3)c(C3CC3)c2N)c(O)c1 2079772250 VUPASFWQGCXBFY-UHFFFAOYSA-N 313.401 3.157 10 10 DGCE CNCc1ccc(N(C)CC2(F)CCC2)c(Br)c1 2057672846 QKNQOZZWAOAZME-UHFFFAOYSA-N 315.230 3.497 10 10 DGCE COC(=O)[C@H](NCCCN=[N+]=[N-])c1cc(C)c(Cl)s1 2109073738 VQLNLSZWESONPV-SECBINFHSA-N 302.787 3.214 10 10 DGCE Cc1cc([C@H](O)[C@@H](N)c2ccccc2O)ccc1Br 2091868640 UAHVTZPFZGFBNX-GJZGRUSLSA-N 322.202 3.197 10 10 DGCE [N-]=[N+]=NCC1(CNC(=O)c2c(F)ccc(Cl)c2F)CC1 2234928927 QMKLLUYYBYXYGS-UHFFFAOYSA-N 300.696 3.439 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)N1CCc2ccc(Cl)cc21 2307990021 VAZYNTAHYSCHGQ-UHFFFAOYSA-N 315.756 3.354 10 10 DGCE CCN1N=C(c2ccccc2)C(=Cc2cccc(OC)c2)C1=O 2332141617 KTARVUUTEJVJPQ-UHFFFAOYSA-N 306.365 3.345 10 10 DGCE Cc1ccc(Cl)c(OC[C@H](O)COc2ccc(N)cc2)c1 51328059 QWZWIUJVMICWHY-CYBMUJFWSA-N 307.777 3.049 10 10 DGCE COCCCN(C)c1c(F)cc(CNC(C)(C)C)cc1F 62738423 FXFQSJRUZLUEIF-UHFFFAOYSA-N 300.393 3.326 10 10 DGCE [N-]=[N+]=NCCCCNC(=O)c1ccc(Br)s1 231732628 NWCCQMGRVCFWKA-UHFFFAOYSA-N 303.185 3.331 10 10 DGCE CC[C@H](N[C@@H](C)[C@H](C)CO)c1cc(Br)ccc1O 252945661 MBJNKSNVULWBPJ-NRUUGDAUSA-N 316.239 3.212 10 10 DGCE Cc1ccc(O)c([C@H](C)NCCCc2nc(C(C)C)no2)c1 185319167 TXRFEKACPZJTFB-ZDUSSCGKSA-N 303.406 3.490 10 10 DGCE CCN[C@@H]1c2cc(F)ccc2OC[C@H]1Sc1nccs1 2363995674 DCTLBCGIILVTQD-CHWSQXEVSA-N 310.419 3.486 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1C[C@@H]1c1ccccc1 413528029 CVUQZFIIRBDHGQ-SJORKVTESA-N 322.408 3.282 10 10 DGCE CC[C@@H](CNC(=O)OC(C)(C)C)N[C@@H](C)c1ccc(O)cc1O 227725522 YZPDYYKLXGNMAF-RYUDHWBXSA-N 324.421 3.052 10 10 DGCE CCOC(=O)c1ccccc1NC(=S)Nc1ccc(N)cc1 244093511 UFDCXIUWQAFIPB-UHFFFAOYSA-N 315.398 3.254 10 10 DGCE C[C@@H]1CC[C@H](C(=O)NCc2cc(Br)ccc2O)C1 804738331 MCWVHKQOTUQCEX-ZJUUUORDSA-N 312.207 3.207 10 10 DGCE COc1ccc(O)c(CN2CCn3c(cc4ccccc43)C2)c1 812798845 MENQVJPIEYHTPI-UHFFFAOYSA-N 308.381 3.371 10 10 DGCE C[C@@]1(C(=O)NCc2cc(Br)ccc2O)C[C@@H]2C[C@@H]2C1 816653703 DUZAOWFZGTXCGC-RTUWITSCSA-N 324.218 3.207 10 10 DGCE CN(C)c1ccc(CN2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cc1 824696326 LJXXNAKDVQSPEJ-GUDVDZBRSA-N 302.462 3.268 10 10 DGCE CC(C)CC[C@@H](c1cc([N+](=O)[O-])ccc1O)N1CCOCC1 575307690 BJEGNKSYMJTSBC-HNNXBMFYSA-N 308.378 3.110 10 10 DGCE COC1(C(F)(F)F)CN(c2ccc([C@@H](C)O)c(Cl)c2)C1 724175889 KSXSJAYZFADQDH-MRVPVSSYSA-N 309.715 3.161 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CNc3ccc(N)cc3)[C@@H]2C1 1897905779 PGKHBAJPTMKVCW-OWCLPIDISA-N 317.433 3.184 10 10 DGCE Cc1ccc(O)c(CN[C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)c1 842783638 IDXKWDJDZZMOTK-DZGCQCFKSA-N 305.418 3.301 10 10 DGCE CC[C@H](C)C[C@@H]1NC(=O)N([C@@H](C)c2ccc(N(C)C)cc2)C1=O 843307173 CXCCZFSLBWGVBS-XEZPLFJOSA-N 317.433 3.170 10 10 DGCE C[C@H](NC[C@@H]1C[C@H]1C(F)(F)F)c1cc([N+](=O)[O-])ccc1O 926951614 SFAVUWVBEHOSOT-DKCNOQQISA-N 304.268 3.149 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC(C)(C)OC1(C)C 858199725 PRZIBMWZFBCNBD-MRXNPFEDSA-N 318.461 3.305 10 10 DGCE C[C@H](NCC1(CCO)CCC1)c1cc2c(cc1O)CCCC2 756763842 AAABXBUWKYYQIJ-AWEZNQCLSA-N 303.446 3.474 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)[C@H]1CC[C@H](OC)C1 854374870 ZNTSDHKCQLLJEM-HOCLYGCPSA-N 305.418 3.336 10 10 DGCE Cc1ccc(Br)cc1C[C@@H](O)Cc1ccc(N)cc1 696584645 MXNOAEWFIWNWKC-INIZCTEOSA-N 320.230 3.486 10 10 DGCE C[C@H](NC(=O)NCC(C)(C)c1cccnc1)c1ccccc1O 868710332 KKGOHJKJPNQBNI-ZDUSSCGKSA-N 313.401 3.125 10 10 DGCE Cc1ccc(O)c(CN(C)[C@H]2CCN(Cc3ccccc3)C2)c1 768245375 QRDFBGSPOAKBBM-IBGZPJMESA-N 310.441 3.407 10 10 DGCE CCOc1cccc(CN2CC(CC3CCOCC3)C2)c1O 1119517059 MRFRACATVXHCIU-UHFFFAOYSA-N 305.418 3.039 10 10 DGCE Cc1cc(Cl)cc(CN2CCC[C@H]2[C@@H](O)C(F)(F)F)c1O 775690302 PRRMTNODMLLBNR-WCQYABFASA-N 323.742 3.242 10 10 DGCE COCCOc1ccccc1CN1CCc2cc(OC)ccc21 772600747 YNVXOKODYWVPGM-UHFFFAOYSA-N 313.397 3.283 10 10 DGCE Cc1cncc(/C=C/C(=O)N2CCOc3c(Cl)cccc32)c1 772168991 KZVTXIOCANNFJN-AATRIKPKSA-N 314.772 3.482 10 10 DGCE CN(c1ccc(CN)cc1)[C@@H]1CCCN(Cc2ccccc2)C1 388480182 KATGDECLQUYYEZ-HXUWFJFHSA-N 309.457 3.246 10 10 DGCE Cc1ccc(O)c([C@@H]2C[C@H](c3ccccc3)n3ncnc3N2)c1 407858 JKWNOKNDLXZEDR-JKSUJKDBSA-N 306.369 3.438 10 10 DGCE Oc1c(Br)cc(Cl)cc1CN[C@@H]1CCCOC1 708055932 HGKQWTXETSXCPC-SNVBAGLBSA-N 320.614 3.077 10 10 DGCE c1csc(CCCNCc2ccc(N3CCOCC3)cc2)c1 1201450347 TVYIUNSKUBUAPR-UHFFFAOYSA-N 316.470 3.307 10 10 DGCE CCNCc1ccc(N2C[C@H]3CC[C@H]3C2)c(Br)c1 711242056 MWIPOMDJYCSTDP-BETUJISGSA-N 309.251 3.405 10 10 DGCE C[C@H](c1cc(Cl)ccc1O)N1CCO[C@@](C)(C(F)F)C1 698949441 JJHYSSNUKTWWHM-YMTOWFKASA-N 305.752 3.463 10 10 DGCE O=C(NCc1cc(O)ccc1O)[C@H]1CCc2c(Cl)cccc21 1153884298 BIHKGKKTOCGNSX-AWEZNQCLSA-N 317.772 3.097 10 10 DGCE CCC(CC)NC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C 1230195233 LFRGFWGYDIJSNX-AWEZNQCLSA-N 305.466 3.480 10 10 DGCE COc1ccc(CN[C@@H](C)CNC(=O)/C=C\C(C)(C)C)cc1C 1266927655 LBORRIGHDDNLEH-KVPUOBJLSA-N 318.461 3.200 10 10 DGCE CCSc1cccc(CNC(=O)c2c(F)ccc(O)c2O)c1 1457851679 GKCJYZIBAAMNSS-UHFFFAOYSA-N 321.373 3.279 10 10 DGCE O=C(NCc1c(O)cccc1F)c1ccc(OC(F)F)cc1 1456093714 NOYCNOBLJZAUKW-UHFFFAOYSA-N 311.259 3.063 10 10 DGCE Cc1cccc(-n2c(C)cc(CNC(=O)c3cncnc3)c2C)c1 1535136465 OYBCHXKRRCPDIW-UHFFFAOYSA-N 320.396 3.123 10 10 DGCE CC(C)c1ncsc1NC(=O)/C=C/c1ccc(O)c(O)c1 1468118417 SPGBOBXREHGOLO-GQCTYLIASA-N 304.371 3.330 10 10 DGCE Cc1cc(CN2CC[C@@H](C)[C@@H](O)C2)ccc1N1CCCCC1 1616825179 XTHRXWPZDQKUFX-BEFAXECRSA-N 302.462 3.188 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)/C=C/c1ccc(C=O)cc1 1543309399 CXSMKDOGVNBBEF-DHZHZOJOSA-N 322.408 3.203 10 10 DGCE COc1ccc(N(C)C[C@H]2COC3(CCCCC3)O2)c(OC)c1 1473295130 XOFPOXAOKGLRRC-HNNXBMFYSA-N 321.417 3.216 10 10 DGCE Oc1ccc(CNc2cc(Cl)cnc2Cl)c(O)c1O 2137727776 TUAWHFCZIVUYHA-UHFFFAOYSA-N 301.129 3.117 10 10 DGCE CCCN[C@@H](c1ccccc1O)[C@H](C)NC(=O)OC(C)(C)C 1928475749 BDZAXLHGGREFMW-SWLSCSKDSA-N 308.422 3.346 10 10 DGCE CCC[C@H](O)CCNC(=O)c1ccc(-n2c(C)ccc2C)cc1 1645910767 TUWBFEGPUPXDOY-SFHVURJKSA-N 314.429 3.375 10 10 DGCE Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H](C)c1ccccc1O 1648890003 WBIDXXRPPAWPMJ-SNVBAGLBSA-N 318.304 3.239 10 10 DGCE Cc1cnn(-c2ccc(C(=O)N[C@H](C)c3ccccc3O)cc2)c1 1648889677 HKLYXIYZWTZNLI-CQSZACIVSA-N 321.380 3.377 10 10 DGCE O=C(NCc1cccc(Cl)c1O)NC[C@@H]1CCC[C@@H]2C[C@H]12 1684056466 XLXGEKQRLFSUEG-MDZLAQPJSA-N 308.809 3.281 10 10 DGCE C[C@H]1C[C@@]1(N)c1cc(Br)cc(Br)c1O 1951731785 UVMVRUZZAVDJGA-RRAGMBSWSA-N 321.012 3.111 10 10 DGCE CC[C@@H](Oc1ccccc1)C(=O)NCc1ccc(N(C)C)cc1 18214863 GUHXUHZKQWUCLX-GOSISDBHSA-N 312.413 3.226 10 10 DGCE CC(C)(C)OC(=O)Nc1ccc([C@@H](N)c2ccccc2O)nc1 1936986280 GJYNAZPYBNBLIE-HNNXBMFYSA-N 315.373 3.182 10 10 DGCE CCOC(=O)c1ccc(/N=N/N(C)CCc2ccncc2)cc1 1860481402 XKAHNIIHGJMRER-FMQUCBEESA-N 312.373 3.432 10 10 DGCE COc1ccc(Br)c(CNCC=CC2CC2)c1O 1964082034 KMWKCMLPTBBFSH-UHFFFAOYSA-N 312.207 3.219 10 10 DGCE CN(C)c1ccc(CNCc2cc(Br)co2)cc1 1964021728 JCQOFGSXVYZZDH-UHFFFAOYSA-N 309.207 3.398 10 10 DGCE C[C@@H]1C[C@](N)(c2ccc(N(C)C)cc2)CN1Cc1ccccc1 1977956888 BGNYZNRSNUFZKR-OXQOHEQNSA-N 309.457 3.201 10 10 DGCE CN(C)c1ccc([C@H](N)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 1977944495 GPVDHIUCFAEKQO-HOCLYGCPSA-N 319.449 3.009 10 10 DGCE CN(C)c1ccc([C@](C)(O)C(C)(C)NC(=O)OC(C)(C)C)cc1 1991753886 JOYQVNCWISLTQD-SFHVURJKSA-N 322.449 3.263 10 10 DGCE C[C@H]1C[C@@H](F)CN1c1ccc([C@@H](C)N)cc1Br 1997694636 XBHDZSRVFCWGCT-IQJOONFLSA-N 301.203 3.406 10 10 DGCE CN(C(=O)c1cscc1Br)c1ccc(N)cc1 404866543 RWCGHIKUYDLYAM-UHFFFAOYSA-N 311.204 3.369 10 10 DGCE CCN(Cc1ccc(N)cc1)C(=O)c1coc(Br)c1 380897099 MNHHMNQNGUMOQE-UHFFFAOYSA-N 323.190 3.287 10 10 DGCE CO[C@H]1CCCC[C@@H]1NCc1ccc(Br)cc1O 825773363 FBMXJEHUAPDIGO-JSGCOSHPSA-N 314.223 3.202 10 10 DGCE CCOC(=O)c1cnn([C@H](C)c2ccc(OC)cc2O)c1Cl 2070375027 ARUZZGKPBZXOHE-SECBINFHSA-N 324.764 3.037 10 10 DGCE CCOC(=O)c1cnn(Cc2ccc(Cl)cc2O)c1Cl 2070389737 WVKAMRNLSQYAFI-UHFFFAOYSA-N 315.156 3.121 10 10 DGCE CCc1nn(Cc2cc(Br)ccc2O)c(N)c1CC 2079637580 BCYZMXYHVPLTRS-UHFFFAOYSA-N 324.222 3.107 10 10 DGCE COc1cc(Cl)cc(CN[C@@H]2[C@@H]3CCC(F)(F)[C@H]32)c1O 2170820610 MCCIEBGUSBLPRO-YUSALJHKSA-N 303.736 3.188 10 10 DGCE O=C(OCc1ccccc1)N1CC[C@@H](c2ccc(O)c(O)c2)C1 2081067194 XSWGOBSDBFCKQC-OAHLLOKOSA-N 313.353 3.224 10 10 DGCE C[C@@H](O)c1ccc(N2CC(O)(c3ccsc3)C2)c(Cl)c1 2193349891 DJJJBKMXEMNUSW-SNVBAGLBSA-N 309.818 3.163 10 10 DGCE Cc1cc(N(C)[C@@H]2CS[C@@H](C(F)(F)F)C2)ccc1CN 2189452290 AIJGIBVTEGHJEW-QWHCGFSZSA-N 304.381 3.326 10 10 DGCE CNCc1ccc(N(C)C[C@H]2CC23CC3)c(Br)c1 2047207604 WUWYUAGUIBMQEX-GFCCVEGCSA-N 309.251 3.405 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@@H](F)C[C@@H](F)C2)c(Br)c1 2062397884 XYKBFMPIHOTFET-IEBDPFPHSA-N 319.193 3.355 10 10 DGCE CNCc1ccc(N(C)C[C@@H]2C[C@@H]2CF)c(Br)c1 2071384699 WZVHBBLGIPKJNW-NEPJUHHUSA-N 315.230 3.210 10 10 DGCE CCn1ncc(Br)c1Cn1ccc2cc(N)ccc21 2094300552 ZHJCZWBBJUEZLR-UHFFFAOYSA-N 319.206 3.251 10 10 DGCE FC1(F)C[C@]1(Cl)CNCc1ccc(N2CCCC2)cc1 2205573162 NCMMAUKLMLZOOC-AWEZNQCLSA-N 300.780 3.393 10 10 DGCE [N-]=[N+]=N[C@H]1CCN(C(=O)c2c(Cl)ccc(Cl)c2N)C1 2271323005 IUSTTZWRSQTQET-LURJTMIESA-N 300.149 3.100 10 10 DGCE C[C@@H](N)c1ccc(N2CC(OC(F)(F)CF)C2)cc1Cl 2237637153 MYVMBTBWDNGDIC-MRVPVSSYSA-N 308.731 3.127 10 10 DGCE CCNCc1ccc(N(C)[C@H](C)CF)cc1Br 2249279361 PRSDFIHGVCZFLF-SNVBAGLBSA-N 303.219 3.353 10 10 DGCE CCCN[C@@H](C)c1cnc(SC[C@]2(OC)CCOC2)s1 2285439520 LGAMBTAMVSGMBG-FZMZJTMJSA-N 316.492 3.101 10 10 DGCE O=C(O)c1nc2ccccn2c1N=Nc1cccc([N+](=O)[O-])c1 2320767979 SOXLWECILGYUDY-UHFFFAOYSA-N 311.257 3.356 10 10 DGCE Cc1ccc(CN[C@@H]2[C@@H]3[C@H]4C[C@@H]5[C@@H]([C@H]43)[C@@H]52)c(O)c1Br 2352947053 PEBKZXVNKYTCIW-QYZIWOQQSA-N 320.230 3.063 10 10 DGCE C[C@]1(O)C[C@@H]2C[C@H]1C[C@H]2NCc1cc(Cl)cc(Cl)c1O 2355716054 RADPVPUGBZBTTD-XJFVKYJOSA-N 316.228 3.338 10 10 DGCE C[C@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1nccs1 106282382 YYWOPJUPXHJKNV-LBPRGKRZSA-N 318.446 3.112 10 10 DGCE Cc1cccc(C[S@@](=O)CCCOc2ccc(N)cc2)c1 54966157 XAHQVSYQGCJXBJ-OAQYLSRUSA-N 303.427 3.295 10 10 DGCE COC[C@H](CCCc1ccc(N)cc1)NC(=O)OC(C)(C)C 1952518308 QYEYRGNDZMKQDI-HNNXBMFYSA-N 308.422 3.131 10 10 DGCE Oc1ccc(Cl)cc1CN1CCC(Cn2cccn2)CC1 122078531 SBERVXITGADNAY-UHFFFAOYSA-N 305.809 3.154 10 10 DGCE Cc1nc(CNC(=O)/C=C/c2ccc(N(C)C)cc2)sc1C 41530386 RRSMPBSFBZLBLF-JXMROGBWSA-N 315.442 3.156 10 10 DGCE Cc1ccc([C@@H](C)NC[C@H](CC(C)C)N2CCOCC2)c(O)c1 192936024 BSBDPWUFWQMQHO-SJORKVTESA-N 320.477 3.098 10 10 DGCE C[C@H](Nc1ccc(Cl)c(C(N)=O)c1)c1cc(F)ccc1O 94617349 QNYXEIMNOZEXJI-QMMMGPOBSA-N 308.740 3.457 10 10 DGCE COc1cc(Cl)cc(CN(C)[C@H]2CCCC[C@H]2CN)c1O 252876777 XHLUJWWFAWHRRA-FZMZJTMJSA-N 312.841 3.004 10 10 DGCE CN(C(=O)c1c[nH]cc1-c1cnn(C)c1)c1ccc2cc[nH]c2c1 352410481 PNXIARKXMPFOAC-UHFFFAOYSA-N 319.368 3.173 10 10 DGCE Cc1nc([C@@](C)(NCc2ccc(N(C)C)c(C)c2)C2CC2)no1 815123511 BELDWRBSUSRFPC-SFHVURJKSA-N 314.433 3.167 10 10 DGCE CO[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)C1CCCC1 821841826 GEQPGJRKZVXBQK-GOSISDBHSA-N 316.445 3.108 10 10 DGCE Oc1ccc(Cl)cc1[C@@H]1CC(c2ccc3c(c2)OCO3)=NN1 821166393 QOTCPQJCHAJTJW-ZDUSSCGKSA-N 316.744 3.213 10 10 DGCE COc1ccc(N(C)Cc2nnc(C3CC3)s2)cc1OC 827490652 DOGUGLIXKFVLFM-UHFFFAOYSA-N 305.403 3.069 10 10 DGCE CCOc1ccc(O)c(CNC[C@H]2CCO[C@@H](C(C)C)C2)c1 824798567 DZHLTFUTPXYSQC-KBXCAEBGSA-N 307.434 3.332 10 10 DGCE C[C@@H](CNC(=O)NCCCSc1nccs1)CC(F)F 826692456 HXRYNDNBSNQDOY-SECBINFHSA-N 323.434 3.216 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)NCc1cnc(CC)o1 838699138 XJUHFWFHJTUKRA-UHFFFAOYSA-N 317.389 3.064 10 10 DGCE C[C@@H]1CC(C)(C)C[C@](CO)(NCc2ccc3c(c2)CCO3)C1 740008154 XGJFJNXGIAHVOI-AUUYWEPGSA-N 303.446 3.288 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)c3ccc(C)c(C)c3)C2)cc1 855234619 HESCLHZYKLJWCA-QGZVFWFLSA-N 324.424 3.321 10 10 DGCE Nc1ccc(C[C@H](O)Cc2ccc(Br)s2)cc1 696527080 GLGZGIMHUKSDQK-NSHDSACASA-N 312.232 3.239 10 10 DGCE C[C@H](NC[C@@H]1CCN1C1CCCC1)c1cc(F)cc(F)c1O 858531323 DKSIKNPMKOAAHE-FZMZJTMJSA-N 310.388 3.338 10 10 DGCE C[C@@H](NCC[C@@H](O)C(F)F)c1cccc(C(F)(F)F)c1O 866442257 HYGCRZWVGNZEBW-GMSGAONNSA-N 313.266 3.078 10 10 DGCE Cc1cc(O)c(CNCC[C@@H]2COc3ccccc3O2)cc1C 765265996 KJSAHKXEMMHGFH-MRXNPFEDSA-N 313.397 3.329 10 10 DGCE CC[C@H]1CN(Cc2cc(C)c(C)cc2O)CCN1CC(F)F 765721055 OCXLOMRXMUCUOD-HNNXBMFYSA-N 312.404 3.170 10 10 DGCE Cc1cc(Cl)cc([C@@H](C)NCCC[C@@H]2CCOC2=O)c1O 872111281 CAXZNUJAUDJVSI-VXGBXAGGSA-N 311.809 3.348 10 10 DGCE CCOC[C@@H](O)CNc1ccccc1OCc1ccccc1 390790274 VZCITAKIWNVBIE-INIZCTEOSA-N 301.386 3.075 10 10 DGCE Cc1cccnc1CNCc1cc(Br)ccc1O 106480189 KPUOAOFATNUTRN-UHFFFAOYSA-N 307.191 3.148 10 10 DGCE Oc1ccc(Cl)c(F)c1CN1CCC[C@@H]([C@@H]2CCOC2)C1 792173049 QBQPEJFGGMEXQI-VXGBXAGGSA-N 313.800 3.433 10 10 DGCE CCCN(c1ccc(N)cc1)S(=O)(=O)c1ccc(C)s1 63115525 GNZIBBOXINWUCZ-UHFFFAOYSA-N 310.444 3.244 10 10 DGCE O=C(CCNc1ccccc1)NCc1cc(Cl)ccc1O 1146230915 AGEZBWHJZPSBDZ-UHFFFAOYSA-N 304.777 3.164 10 10 DGCE C[C@@H](c1cc(Br)ccc1O)N1[C@H]2CC[C@H]1COC2 695063035 FQBBHRMDGYFFQK-DLOVCJGASA-N 312.207 3.079 10 10 DGCE CNc1ccc(C(=O)N[C@H](C)c2cc(OC)ccc2O)cc1F 1150543437 OQASELHKAQDJSQ-SNVBAGLBSA-N 318.348 3.073 10 10 DGCE C[C@H](NC(=O)c1cccc(-c2cnn(C)c2)c1)c1ccccc1O 1171731000 WFRSOGYMFONRAI-ZDUSSCGKSA-N 321.380 3.284 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(Cc2nc(Br)cs2)C1 1902657476 XTJVMWKKHXNNEG-SSDOTTSWSA-N 302.201 3.180 10 10 DGCE CC[C@H](C)C(=O)NCC[C@@H](C)NCc1ccc(OC)c(C)c1 1266127402 GCGJJUDXZDPCKY-DZGCQCFKSA-N 306.450 3.034 10 10 DGCE COC(=O)C1=C(C)O[C@H](CN(C)c2ccc(OC(C)C)cc2)C1 1193384763 MLQSNZBFLDVENZ-INIZCTEOSA-N 319.401 3.146 10 10 DGCE CC[C@@H](O)CN(Cc1ccccc1)c1ccc(CN)c(F)c1F 1915380572 ZYBZEBQPICQKHL-OAHLLOKOSA-N 320.383 3.201 10 10 DGCE C[C@H](c1ccncc1)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 1442610406 LPFHNRWWBCLWOH-LLVKDONJSA-N 311.345 3.077 10 10 DGCE COc1ccc(N(C)C[C@@H]2CCC3(CCC3)CO2)cc1OC 1459391365 GACGNLUCXVUCMR-HNNXBMFYSA-N 305.418 3.489 10 10 DGCE Cc1ccc2c(c1)OCCN2C(=O)c1ccc(N=NC(N)=O)cc1 1294220491 SXRNMUDXOAHFNM-UHFFFAOYSA-N 324.340 3.197 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)CC2CCCC2)cc1 1530897193 NUCAJGUKNVSUAB-UHFFFAOYSA-N 304.434 3.170 10 10 DGCE O=C(NC/C=C/Cl)NCc1cc(Cl)cc(Cl)c1O 1479514432 WPQVUUBGXDODJF-OWOJBTEDSA-N 309.580 3.251 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)/C=C/C=C(Cl)Cl)c1 1545684266 QDBIBKGTRACJBF-SGRBOOSSSA-N 316.184 3.453 10 10 DGCE Cc1cc(Cl)c(C(=O)NCc2cc(O)ccc2O)cc1C 1471661096 HXALALNLZOATQL-UHFFFAOYSA-N 305.761 3.298 10 10 DGCE COc1ccc2[nH]c(NC(=O)/C=C\c3ccc(O)c(O)c3)cc2c1 1556179990 ZAUZLHLHSWUPFR-CLTKARDFSA-N 324.336 3.240 10 10 DGCE CCCCOc1ccc(NC(=O)c2ccc(C)c(O)c2O)cn1 1633642833 CTIHVDBTVHWAFV-UHFFFAOYSA-N 316.357 3.232 10 10 DGCE O=C(c1n[nH]c2ccc(Cl)cc12)N1Cc2cccc(O)c2C1 1636231087 PVXYGOVAAPSOEC-UHFFFAOYSA-N 313.744 3.078 10 10 DGCE Cc1ccc(O)c(CNC(=O)Cc2ccc(F)cc2Cl)c1 1645801016 ZRVNSFLTLZJHKY-UHFFFAOYSA-N 307.752 3.352 10 10 DGCE CCOC(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2O)cc1 1643741810 AXQGVFGXJFJUHL-GFCCVEGCSA-N 313.353 3.060 10 10 DGCE O=C(CCSc1ccccn1)NCc1cccc(Cl)c1O 1653567177 ODQDYAXKYADTGP-UHFFFAOYSA-N 322.817 3.239 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1NCc1ccccc1O 1935611713 KSYNNPNXDZMXOH-CABCVRRESA-N 320.433 3.318 10 10 DGCE CCNCc1ccc(N(C)C2CCN(CC)CC2)c(Cl)c1 164026529 PLEQIYPGYQKUBL-UHFFFAOYSA-N 309.885 3.370 10 10 DGCE O=C1N=C(Nc2cccc(O)c2)S/C1=C\c1ccc(O)cc1 5590530 SOEBHQCFYCRMJW-ZSOIEALJSA-N 312.350 3.180 10 10 DGCE CCCOc1ccc(/C=C2\C(=O)N(C)N=C2C(F)(F)F)cc1 1865669311 HXYCBNRAWXBYTI-XFXZXTDPSA-N 312.291 3.249 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@@H](C)[C@@H](F)C2)c(Br)c1 1947339292 HZTNPZXGUGCKPY-LNLATYFQSA-N 301.203 3.263 10 10 DGCE C[C@H]1CCS[C@H]1CNCc1c(O)cccc1Br 1945606685 ALEALBVXTOUDEU-ZANVPECISA-N 316.264 3.386 10 10 DGCE COc1ccc(Br)c(CN[C@H]2CC=CCC2)c1O 1964034927 KLULMHUINLVNOO-JTQLQIEISA-N 312.207 3.362 10 10 DGCE CC(=O)C(=O)c1cc(C)cc([N+](=O)[O-])c1NC(=O)OC(C)(C)C 1951548049 DVZLSQMXCOZGTL-UHFFFAOYSA-N 322.317 3.022 10 10 DGCE CCC[C@H](CNC(=O)OC(C)(C)C)NCc1ccc(C)cc1O 1994457684 GBYXTPFGQAQEJT-OAHLLOKOSA-N 322.449 3.484 10 10 DGCE C[C@H]1C[C@@](N)(c2ccc3c(c2)CCN3C)CN1Cc1ccccc1 1999506301 CYNZFBCVIVFTLH-KKSFZXQISA-N 321.468 3.127 10 10 DGCE Nc1ccc(CCCN2CCCN(Cc3ccccc3)CC2)cc1 323855278 WDTKLNMBLGSMKT-UHFFFAOYSA-N 323.484 3.409 10 10 DGCE C[C@H]([C@@H]1CCCCO1)N(C)c1cc(Cl)c(CN)cc1F 2177380462 DWIAQUUMDBEANT-BMIGLBTASA-N 300.805 3.332 10 10 DGCE C[C@H](c1cc(Cl)ccc1O)N1CCO[C@@H](C(F)F)CC1 687289882 ZQBAAXYQLMKONB-NOZJJQNGSA-N 305.752 3.463 10 10 DGCE O=C(O)[C@@H]1C[C@@]12CC[C@@H]2NCc1cc(Cl)cc(Cl)c1O 2172502233 UYYOJWPCFWABTP-CHIMOYNISA-N 316.184 3.042 10 10 DGCE COCCCN1C(=O)C(=Cc2ccc(C)cc2)SC1=S 2053490393 LMGWBJVIIAZJMU-UHFFFAOYSA-N 307.440 3.233 10 10 DGCE Cc1c(CNC[C@H](C)CC2(C)OCCO2)n(C)c2ccccc12 716019939 FAWYEEOHLKRMMN-CQSZACIVSA-N 316.445 3.366 10 10 DGCE CN(Cc1cc(Cl)ccc1O)C[C@H]1COCCC1(F)F 2166665416 JKWFJPJRVKRUJQ-NSHDSACASA-N 305.752 3.149 10 10 DGCE C[C@H](N)c1ccc(N(C)[C@@H](CCO)C(F)(F)F)cc1Cl 2178510089 CHORKKHUCWAPON-UFBFGSQYSA-N 310.747 3.109 10 10 DGCE COc1ccc(O)c(Cn2ncc(C3CCCCC3)c2N)c1 2070284724 PDTNMIDRLZBQNW-UHFFFAOYSA-N 301.390 3.276 10 10 DGCE COc1cnn([C@@H](C)c2c(O)cccc2F)c1Br 2070288641 WAKNMXCVXYSPSR-ZETCQYMHSA-N 315.142 3.108 10 10 DGCE CC1(c2nn(Cc3cccc(F)c3O)c(N)c2C2(C)CC2)CC1 2079719693 WYZMYAXZNPHNLL-UHFFFAOYSA-N 315.392 3.461 10 10 DGCE COc1cc(Cl)cc(CN[C@]23CCC[C@H]2CSC3)c1O 2201966496 NTORIHVHBGZRHT-NHYWBVRUSA-N 313.850 3.430 10 10 DGCE COc1ccc(N(C)Cc2ccc(Br)o2)c(C=O)c1 2227701900 JFVIBNLCAOAXAE-UHFFFAOYSA-N 324.174 3.500 10 10 DGCE C[C@@H](O)c1ccc(N(C)C[C@H](F)[C@H]2CCOC2)c(Cl)c1 2238344594 XZLHEGJQOHZXKL-OSMZGAPFSA-N 301.789 3.204 10 10 DGCE C[C@@H]1Oc2ccccc2C=C1C=C1SC(=S)N(C)C1=O 2296702664 DRBKZYNZUMJFLP-VIFPVBQESA-N 303.408 3.225 10 10 DGCE Cc1cc(C=CC(=O)NCc2cc[nH]n2)c(C)n1-c1ccccc1 2297307638 WPTPUYODVQMNQM-UHFFFAOYSA-N 320.396 3.147 10 10 DGCE Cc1ccc(CN2C[C@@H](F)[C@H](C)C2)c(O)c1Br 2307568196 BUCAWBKSULJNMC-MWLCHTKSSA-N 302.187 3.253 10 10 DGCE Oc1cccc(Br)c1CN[C@@H]1C[C@@H]2C[C@H]1C[C@H]2F 2308606652 QBDXKVMMTVVVGX-RBJBARPLSA-N 314.198 3.381 10 10 DGCE CCN1CCN(N=Nc2ccc(OC(F)(F)F)cc2)CC1 2330245609 CJNMLZZVXGSGRS-UHFFFAOYSA-N 302.300 3.221 10 10 DGCE CCCN1N=C(C)C(=Cc2ccc(OCC)c(OC)c2)C1=O 2332124530 LHHUAILCEWQQPD-UHFFFAOYSA-N 302.374 3.105 10 10 DGCE Cc1ccc(Cn2cc(C(=O)O)cc2C)c(O)c1Br 2352695141 XDOKFUJKCPITOA-UHFFFAOYSA-N 324.174 3.320 10 10 DGCE COc1ccc(OC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1 25916875 GVDGFVHFWUCRRR-UHFFFAOYSA-N 322.320 3.478 10 10 DGCE Cc1cc(Cl)nc(C(=O)NCc2ccc(N(C)C)cc2)c1 1353505299 YHJZUEFEESRUSJ-UHFFFAOYSA-N 303.793 3.039 10 10 DGCE Oc1ccc(OC(F)(F)F)cc1CN[C@H]1CCCSC1 2361045245 LFEZTGFIRZDJQU-JTQLQIEISA-N 307.337 3.276 10 10 DGCE COc1ccc(O)c(CN[C@@H](C)c2ccc(OC)c(F)c2)c1 122170671 UGAUFRRAWKMXGJ-NSHDSACASA-N 305.349 3.399 10 10 DGCE CCN(C(=O)c1ccc(C)c(O)c1O)[C@H](C)c1cccnc1 182454119 BZEMWNYIUSHQFV-GFCCVEGCSA-N 300.358 3.025 10 10 DGCE CCNCc1ccc(N(C)[C@@H](C)COC)c(Br)c1 233511953 UMIJGDLJNRGULK-NSHDSACASA-N 315.255 3.030 10 10 DGCE Cc1ccnc(CNC(=S)Nc2ccc(F)c(F)c2F)c1 244204627 VQSADKKVOIEGFD-UHFFFAOYSA-N 311.332 3.294 10 10 DGCE C[C@H](N[C@@H]1CCCC[C@H]1CO)c1cc2c(cc1O)CCCC2 248532651 YPYAJTHOPDDWPY-QANKJYHBSA-N 303.446 3.473 10 10 DGCE CCOCc1nc([C@@H](C)N[C@H](C)c2ccc(C)c(C)c2O)no1 289589502 AVHMGVBWGAPIRO-CHWSQXEVSA-N 319.405 3.340 10 10 DGCE COc1cc(CN(C)c2ccc([C@H](C)O)c(Cl)c2)sn1 722396733 SYFMPPUAJPSTES-VIFPVBQESA-N 312.822 3.495 10 10 DGCE Oc1cc(F)c(Cl)cc1CNCCC1SCCS1 827674835 UWWGGUDGMBTCRY-UHFFFAOYSA-N 307.843 3.471 10 10 DGCE CN(C)c1ccc(CNC(=O)NC2(C3CCC3)CCC2)cc1 837379592 JAYHVFXHWRIDCZ-UHFFFAOYSA-N 301.434 3.275 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@H](c2ccccc2F)[C@@H](C)O)c1 846013041 JIGIYTPTGDVCGV-IUUKEHGRSA-N 319.376 3.313 10 10 DGCE CN(C)c1cc(F)c(CNCCCC2CCOCC2)cc1F 858171168 WBQJGYSJCSKSNQ-UHFFFAOYSA-N 312.404 3.327 10 10 DGCE CCN(CC)c1ccc(CNc2ccc(C(=O)OC)nc2)cc1 758472288 VKBPOJYUAZXKKV-UHFFFAOYSA-N 313.401 3.327 10 10 DGCE O=C(NCc1c(O)cccc1F)C1(c2cccc(F)c2)CCC1 928708361 GGWVQMKTGNERCG-UHFFFAOYSA-N 317.335 3.409 10 10 DGCE CC[C@H](N[C@@H]1C(=O)N(C)Cc2ccccc21)c1ccccc1O 857875335 KSFKAMCOGFREFB-WMZOPIPTSA-N 310.397 3.146 10 10 DGCE CSCC1(CC(=O)NCc2ccc3cccnc3c2O)CC1 862025231 PJPIDEXFBHXMFF-UHFFFAOYSA-N 316.426 3.090 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2C(=O)OCCC(F)(F)F 866899846 XJKSLTDFGITPFL-UHFFFAOYSA-N 318.295 3.040 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2conc2C2CCCC2)c1 869409894 FOWMCJDRLWQUSJ-UHFFFAOYSA-N 300.358 3.276 10 10 DGCE CCN(c1ccc(N)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1959573684 WFQKXVHCWQURLX-OAHLLOKOSA-N 305.422 3.105 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)OCCC1(O)CC1 785665546 AYPXECIYUFPHNB-UHFFFAOYSA-N 305.399 3.227 10 10 DGCE CS[C@H](C)CC(=O)N(C)Cc1ccc(N2CCCC2)cc1 1136025243 BTDSXLGANFJFRE-CQSZACIVSA-N 306.475 3.387 10 10 DGCE C[C@@H](NC(=O)c1cncnc1-c1ccccc1)c1ccccc1O 1302532651 MYSXIKIELSYRKA-CYBMUJFWSA-N 319.364 3.340 10 10 DGCE COc1ccc2c(c1)CCCCN2CC(=O)NCCC(C)(C)C 1192316278 XSYJJVRLYVMUNP-UHFFFAOYSA-N 318.461 3.390 10 10 DGCE Cc1cc(N(Cc2ccccc2)[C@H](CO)C2CC2)ccc1CO 1915278456 RKSUTSSAPUYIKU-HXUWFJFHSA-N 311.425 3.265 10 10 DGCE [N-]=[N+]=NC[C@H]1CCN(C(=O)c2cc(Cl)ncc2Cl)C1 1912181151 KNMYRVLBZAHBDQ-SSDOTTSWSA-N 300.149 3.161 10 10 DGCE COc1ccc(CNC[C@H](NC(=O)C2CC2)C(C)(C)C)cc1C 1284563028 WOKSAUXRSJITLU-KRWDZBQOSA-N 318.461 3.034 10 10 DGCE CC(C)(C)OC(=O)Nc1ccc([C@@](C)(N)C(F)F)c(O)c1 1536017225 VZYWUGLMYSZZEC-CQSZACIVSA-N 302.321 3.178 10 10 DGCE COc1cc([C@@H](CO)N=[N+]=[N-])cc(NC(=O)OC(C)(C)C)c1O 1535994909 RHMVCNFMKXZFAY-SNVBAGLBSA-N 324.337 3.092 10 10 DGCE O=C(Nc1ccc(-c2ccon2)cc1)c1c(F)ccc(O)c1O 1472624584 ZGXQSTWKEKHIBZ-UHFFFAOYSA-N 314.272 3.144 10 10 DGCE C[C@@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1O 1557965486 FTWMDBNKNDNUTF-NXIHDVOMSA-N 312.325 3.191 10 10 DGCE CC[C@@H](C)c1ncc(NC(=O)/C=C/c2ccc(O)c(O)c2)cn1 1635030333 SOJWHXVSXCLDTI-OKPNEXGHSA-N 313.357 3.053 10 10 DGCE CCc1ncc(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)[nH]1 1646317553 KWMDSSHUJVBNDA-UHFFFAOYSA-N 322.412 3.310 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1 1645800527 HZMAIHSHKRGGOR-UHFFFAOYSA-N 320.732 3.192 10 10 DGCE COc1ccc(F)cc1C(=O)NCc1cccc(Cl)c1O 1647826940 PQDLCAZQHQZXNG-UHFFFAOYSA-N 309.724 3.123 10 10 DGCE CCCOc1ccnc(NCc2ccc(N3CC=CC3)cc2)n1 1651557323 JXQMAXAEQCXHSE-UHFFFAOYSA-N 310.401 3.254 10 10 DGCE O=C(CC1CC(c2ccccc2)C1)NCc1cc(O)ccc1O 1651225395 HUTHSCKBUVBSOT-UHFFFAOYSA-N 311.381 3.298 10 10 DGCE CN(C[C@H]1CCCN1CCCCN=[N+]=[N-])C(=O)OC(C)(C)C 1962300818 SQGDHBFEVLZZOZ-CYBMUJFWSA-N 311.430 3.408 10 10 DGCE CC(C)CNCc1ccc(N2CCN(C)[C@@H](C)C2)c(Cl)c1 164074704 MWHCSLWIBZXYKM-AWEZNQCLSA-N 309.885 3.226 10 10 DGCE CC(=O)[C@@H](C)CCCCC(=O)NCc1ccc(N(C)C)c(F)c1 155070007 KTERTDGDTUYNEM-ZDUSSCGKSA-N 322.424 3.293 10 10 DGCE COC(=O)c1sc(Cc2ccc(N)cc2)nc1C(C)(C)C 157762254 OEVNWPUJWRYRQS-UHFFFAOYSA-N 304.415 3.400 10 10 DGCE C[C@@H](CC(=O)O)[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 155912142 JJUQBALYHSXTCL-RYUDHWBXSA-N 311.809 3.368 10 10 DGCE CCN[C@@H](c1ccc(N(C)C)cc1)[C@@H](C)NC(=O)OC(C)(C)C 1977944210 BWVOKORUYLRGFV-CZUORRHYSA-N 321.465 3.316 10 10 DGCE CN(C)c1ccc([C@H](O)CC2(NC(=O)OC(C)(C)C)CC2)cc1 1977960733 WFNXUXKZMQOONO-OAHLLOKOSA-N 320.433 3.233 10 10 DGCE CCN(c1ccc(N)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1977965255 GDVDFZQDIYHVCF-UHFFFAOYSA-N 319.449 3.495 10 10 DGCE CN(CC[C@@](C)(O)c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C 1980079824 NKXAJQCJXQPGQL-GOSISDBHSA-N 322.449 3.217 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([C@H](N)c2ccccc2O)C1(C)C 1989483329 LOENERGFZDOGNY-NWANDNLSSA-N 320.433 3.331 10 10 DGCE CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CN(c1ccc(N)cc1)C2 1993502348 JDNNFLCOXBUDCE-SCLBCKFNSA-N 317.433 3.010 10 10 DGCE C[C@H]1COCC[C@@H]1N(C)Cc1cccc(Br)c1O 2031920068 OMAAKWWTKZDZEP-GWCFXTLKSA-N 314.223 3.012 10 10 DGCE N[C@H](c1ccccc1O)[C@H](O)c1cc(Cl)c(Cl)s1 2037473520 UJGFROOOQLNGQM-GHMZBOCLSA-N 304.198 3.494 10 10 DGCE CC(C)(C)OCCNCc1cc(Br)ccc1O 308728003 HPNQFNBIZNBCDC-UHFFFAOYSA-N 302.212 3.059 10 10 DGCE Cc1cccc(CNCc2cncc(Br)c2)c1O 702970796 AVTXBLJDRNXDRV-UHFFFAOYSA-N 307.191 3.148 10 10 DGCE COC(=O)c1cnn(-c2ccc(O)c(O)c2)c1C1CCCCC1 2069760369 QFQNTTPMXXDCNI-UHFFFAOYSA-N 316.357 3.118 10 10 DGCE CCc1nn([C@H](c2ccc(C)cc2O)C2(C)CC2)c(N)c1C=O 2079127006 IBFCDBOJWKRKBV-MRXNPFEDSA-N 313.401 3.244 10 10 DGCE Cc1c(C2CC2)nn(Cc2cccc(Br)c2O)c1N 2079745773 GWNYGWFAKWYISP-UHFFFAOYSA-N 322.206 3.168 10 10 DGCE CCC[C@@H]1C[C@@H](NCc2c(O)cccc2Br)CO1 2065789727 DDWAZZAGFFTAAN-GHMZBOCLSA-N 314.223 3.202 10 10 DGCE CN[C@H]1CCN(c2ccc(OC)cc2Br)[C@H](C)C1 2221628695 VPYFVWXPRXURCM-MNOVXSKESA-N 313.239 3.034 10 10 DGCE CC1(C)[C@@H]2C[C@@H]2CN1c1cc(Br)c(CN)cc1F 2256964124 HSGOGZJDJNUZCU-NXEZZACHSA-N 313.214 3.282 10 10 DGCE Cc1cc(N2CCS[C@@H](C(F)(F)F)C2)ccc1[C@@H](C)N 2285125337 BRLLMZBMKFSIDN-ZWNOBZJWSA-N 304.381 3.499 10 10 DGCE COc1ccc(C=C2SC(N3CCC[C@@H](C)C3)=NC2=O)cc1 2296680787 ZLKGXALCMPDTPD-GFCCVEGCSA-N 316.426 3.397 10 10 DGCE COc1ccc(C2=CC(=Cc3ccc(O)cc3)C(=O)O2)c(OC)c1 2297322055 KAQGHLIOKGZFPJ-UHFFFAOYSA-N 324.332 3.391 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)N1Cc2ccccc2C2(CC2)C1 2309982891 KTFXEBDDJMUGSU-UHFFFAOYSA-N 321.376 3.185 10 10 DGCE O=C1C(=Cc2ccc[nH]2)C(c2ccccc2)=NN1c1ccccn1 2332143310 IXBKDXMRLXYVMV-UHFFFAOYSA-N 314.348 3.244 10 10 DGCE CO[C@H](C)c1cccc(NC(=O)c2ccc(C)c(O)c2O)c1 179474031 KPOLHZHRZLLVIP-LLVKDONJSA-N 301.342 3.366 10 10 DGCE C[C@H](NCC[C@@H]1C(=O)Nc2ccccc21)c1ccc(F)cc1O 185878176 DDBQAOSNCSMHPW-NHYWBVRUSA-N 314.360 3.308 10 10 DGCE COc1ccc(CN2C[C@@H]3CCC(=O)c4cccc2c43)c(O)c1 185629685 QSEUSZOPANCMLV-ZDUSSCGKSA-N 309.365 3.481 10 10 DGCE CCOC(=O)[C@@H](C)[C@H](C)NCc1c(O)ccc2ccccc12 190956386 YZFHRZHCSZRMLO-STQMWFEESA-N 301.386 3.223 10 10 DGCE COc1ccc(CN2CCCC[C@H]2c2cccn2C)c(O)c1 93845579 VMGIPJTWWAVKIL-KRWDZBQOSA-N 300.402 3.467 10 10 DGCE COc1ccc(N2CCC(N[C@@H]3CSC3(C)C)CC2)cc1 367247574 WSYRGDQAALSDDQ-MRXNPFEDSA-N 306.475 3.148 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)c2nc(C3CC3)oc2C)c1 802781552 ARSSDZHBDSCFDL-SECBINFHSA-N 316.357 3.066 10 10 DGCE CC[C@@H](NCc1ccnn1C)c1ccc(C(F)(F)F)cc1O 810208757 FPBDIWIQIUYZHG-CYBMUJFWSA-N 313.323 3.385 10 10 DGCE C[C@H](CNCc1c(O)ccc2ccccc12)CC1(C)OCCO1 716017619 CNSFHWNIDCZYEQ-AWEZNQCLSA-N 315.413 3.424 10 10 DGCE C[C@H](N[C@H]1CCOC[C@@H]1C)c1cccc(C(F)(F)F)c1O 815621571 XPAPSGYRVDIIBG-KWBADKCTSA-N 303.324 3.487 10 10 DGCE CCOc1cccc(CN2C[C@]34CCCC[C@@]3(COC4)C2)c1O 827849980 KYBMILZTFIEFEP-OALUTQOASA-N 317.429 3.184 10 10 DGCE COc1nscc1CN(C)c1ccc([C@H](C)N)c(Cl)c1 723214302 ICEUONIJEXDBHG-VIFPVBQESA-N 311.838 3.461 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1ccn(C(C)(C)C)n1 847571695 FMCJNQSFIRXQNB-UHFFFAOYSA-N 315.417 3.396 10 10 DGCE COc1cccc([C@@H](C)NCCN2[C@@H](C)CCC[C@H]2C)c1O 846147248 UXVCLEOQQLZAPD-QLFBSQMISA-N 306.450 3.314 10 10 DGCE COC(=O)c1ccc(O)c([C@H](C)N[C@H]2C[C@H](OC(C)(C)C)C2)c1 848566395 WYHIIRRDDXZAQL-UBHSHLNASA-N 321.417 3.176 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)c2ncccc2SC)c1 845834018 PLAFTDZHWJFELM-SNVBAGLBSA-N 318.398 3.009 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)NCC[C@@H]2CC[C@H]3C[C@@H]23)cc1 927475562 BZHJSQPBEMVNEA-JKOKRWQUSA-N 300.362 3.015 10 10 DGCE COc1cccc([C@@]2(C)CCN(C(=O)c3cc(O)cs3)C2)c1 855838778 RGLGMRPMRFSRIT-KRWDZBQOSA-N 317.410 3.266 10 10 DGCE Cc1cc(C(=O)NC(C)(C)[C@@H](C)O)c(C)n1-c1ccc(F)cc1 770439355 CSUDDDRUMPDDJG-CYBMUJFWSA-N 318.392 3.122 10 10 DGCE COc1cc(C)cc(CNC2CCC(OC(F)F)CC2)c1O 894926680 APUQREVGMOSHCM-UHFFFAOYSA-N 315.360 3.349 10 10 DGCE CC1(C2CC2)CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 793468541 LLESKOQALPMQGC-CLTKARDFSA-N 301.386 3.150 10 10 DGCE CO[C@@H](C)CN(c1ccc(CN)cc1Br)C(C)C 708281836 MOFIPNBKYTVCOP-NSHDSACASA-N 315.255 3.158 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)c1ccc2cc[nH]c2c1 1142728247 PDPIXXAVBZUBCG-UHFFFAOYSA-N 317.348 3.352 10 10 DGCE Oc1cccc(Cl)c1CNC[C@H]1CC[C@@H](C(F)(F)F)O1 722405553 XIAOXEJJXFKUPU-PELKAZGASA-N 309.715 3.245 10 10 DGCE CN[C@@H]1C(=O)Nc2cc(Sc3nccs3)c(Cl)cc21 92770590 ZVGUZCIPWQQKDY-JTQLQIEISA-N 311.819 3.160 10 10 DGCE O=C(NCc1c(O)cccc1O)c1cccc(C(F)F)c1F 1156885543 JAISTZGUQMSZPO-UHFFFAOYSA-N 311.259 3.105 10 10 DGCE Nc1ccc(CCNC(=O)C=Cc2ccc(Cl)s2)cc1 1912072371 YKZPZPNPYRHXKR-UHFFFAOYSA-N 306.818 3.356 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@](C)([C@H](N)c2ccccc2O)C1 1916518157 DSNHPIAXWOTOOV-DWQUBVKVSA-N 320.433 3.476 10 10 DGCE Cc1nocc1CNC(=O)c1sccc1-n1c(C)ccc1C 1298575559 OPTODKRVWYMMJA-UHFFFAOYSA-N 315.398 3.382 10 10 DGCE CCN(C(=O)/C=C/c1cn(C)cn1)c1ccc(Cl)cc1F 1539878839 FGVAGOSMDOOCGY-FNORWQNLSA-N 307.756 3.279 10 10 DGCE CC[C@H](CNC(=O)CC1CCC1)NCc1ccc(OC)c(C)c1 1715054012 SHIIVXJKAJEGNX-QGZVFWFLSA-N 318.461 3.178 10 10 DGCE Cc1ccc2[nH]cc(CCNC(=O)c3ccc(C)c(O)c3O)c2c1 1640491976 HTTWJQDSXZQGQU-UHFFFAOYSA-N 324.380 3.168 10 10 DGCE COc1ccc(CN[C@@H](C)CNC(=O)CC(C)(C)C)cc1C 1690553550 YOCQEDKZOVFDPL-AWEZNQCLSA-N 306.450 3.034 10 10 DGCE Nc1ccc(NC(=O)CCOc2ccc(Cl)c(F)c2)cc1 156218905 DWWBEWMPMNNXFX-UHFFFAOYSA-N 308.740 3.469 10 10 DGCE C[C@H](NC1CCS(=O)CC1)c1ccc2ccccc2c1O 157933214 HMMYYABABCWVHM-LTKVMPMFSA-N 303.427 3.107 10 10 DGCE CCCN1N=C(C)/C(=C\c2ccc(OC(C)C)c(OC)c2)C1=O 1865672122 MFJXWQDXARLZEW-XNTDXEJSSA-N 316.401 3.494 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2([C@H](N)c2ccccc2O)C1 1938392331 FVXDIAZFRPAOII-PNPHSEOMSA-N 318.417 3.039 10 10 DGCE Cc1sc(Br)c(C(=O)N2CC(N=[N+]=[N-])C2)c1C 1951110508 KOLOQNZUPRRFDF-UHFFFAOYSA-N 315.196 3.262 10 10 DGCE Nc1ccc(CN2CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1 2003107889 HEUSKCWXMGZSLO-PMACEKPBSA-N 321.468 3.223 10 10 DGCE CN1CCCc2cc([C@@H](O)CCNC(=O)OC(C)(C)C)ccc21 1977934986 NALFVVQXLQQCGF-INIZCTEOSA-N 320.433 3.017 10 10 DGCE CC(C)(C)OC(=O)NC[C@]1(C)CCCN1Cc1ccc(N)cc1 1985874112 ROVCNDLLJFVDBK-SFHVURJKSA-N 319.449 3.148 10 10 DGCE C[C@@H](N)c1cnc(Sc2ccc3c(c2)OCCCO3)s1 2159808560 BUFAZUXPJDQRJB-SECBINFHSA-N 308.428 3.475 10 10 DGCE C[C@H]1CC[C@H]1N(C)c1cc(Br)c(CN)cc1F 1998771876 PZXUJBMVXQOPCP-QPUJVOFHSA-N 301.203 3.282 10 10 DGCE CO[C@@H]1CCCC[C@@H]1NCc1ccc(Br)cc1O 2027931687 FBMXJEHUAPDIGO-GXTWGEPZSA-N 314.223 3.202 10 10 DGCE CC1(F)CCN(c2cc(Br)c(CN)cc2F)CC1 2034879159 IVVULFYQWWZUQT-UHFFFAOYSA-N 319.193 3.375 10 10 DGCE NCc1ccc(N2C[C@H]3C[C@H]2C(F)(F)C3)cc1Br 2038341056 FYYPVPVXJRAGLF-UFBFGSQYSA-N 317.177 3.142 10 10 DGCE Cc1ccc(O)c([C@@H](C)N[C@H]2[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c1 398297107 DVFHCJBUAUIMPE-ZXFPDNNPSA-N 322.452 3.482 10 10 DGCE O=C(O)c1cc(-c2ccccc2)nn1Cc1cc(F)ccc1O 2069900657 AWHKXUOZDNLKMB-UHFFFAOYSA-N 312.300 3.141 10 10 DGCE Cc1cc(O)c([C@@H](n2nc(C)c(N)c2N)C(C)(C)C)cc1C 2079944533 SFLGPARRILIESP-OAHLLOKOSA-N 302.422 3.314 10 10 DGCE CN(c1ccc(CN)c(Br)c1F)[C@@H]1CC[C@@H]2C[C@@H]21 2046861129 FAUDHFRUJUOWSU-DVVUODLYSA-N 313.214 3.282 10 10 DGCE CN[C@H](C)c1cc(F)c(N2CCSC[C@H](C)C2)c(F)c1 2194707242 CSXLDXXBFSKBOO-GHMZBOCLSA-N 300.418 3.435 10 10 DGCE CN(Cc1ccc(Cl)cc1O)[C@@H]1CO[C@@H](C(F)(F)F)C1 2185542878 NQFCOBVYVSEBSH-CMPLNLGQSA-N 309.715 3.197 10 10 DGCE COc1cc(Cl)cc(CNC[C@@](C)(F)C(F)(F)F)c1O 2191877295 XQBHPDKJYCBESR-LLVKDONJSA-N 315.694 3.434 10 10 DGCE Cc1nc2c(s1)CN(c1ccc(CN)c(Br)c1)C2 2081621977 KTHGEWONVATVNS-UHFFFAOYSA-N 324.247 3.193 10 10 DGCE Cc1c(Br)cccc1C[C@H](O)Cc1ccc(N)cc1 2087377670 MCLDOFGCVWVGQF-OAHLLOKOSA-N 320.230 3.486 10 10 DGCE CCn1ncc(Br)c1N(C)Cc1ccccc1O 2219577877 KZVYEWJBICAYOR-UHFFFAOYSA-N 310.195 3.008 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NC(=O)Cc1ccc(Br)cc1 2225796872 AYYCGVQOYYXQKG-NWDGAFQWSA-N 323.194 3.339 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H]1CSc1ncc(N)s1 2241277720 QFCILAAUIFVFRE-SECBINFHSA-N 315.464 3.217 10 10 DGCE CSc1ncc(CNC[C@]23C[C@](C(F)(F)F)(CO2)C3)s1 2284501879 XRDGSZRPKPRRIM-XYPYZODXSA-N 324.393 3.066 10 10 DGCE NC(=O)c1ccccc1NCc1cc(Cl)cc(Cl)c1O 2279095173 WJLQSSIRWITGKT-UHFFFAOYSA-N 311.168 3.410 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CC(P(C)(C)=O)C2)c1O 2286192503 ZXDOJIRCIQHSIY-UHFFFAOYSA-N 315.737 3.055 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)NC[C@@H]1CCCc2ccccc21 2307982308 ZASIVRACVUGVIF-INIZCTEOSA-N 323.392 3.347 10 10 DGCE CCN(C(=O)C=Cc1ccc(O)c(O)c1)[C@@H](C)c1cccnc1 2308001362 BCMHVRHUOKYCLN-ZDUSSCGKSA-N 312.369 3.116 10 10 DGCE CCCN(C(=O)C=Cc1cccnc1)c1cccc([N+](=O)[O-])c1 2312516818 QCRLVMGHFWIAOC-UHFFFAOYSA-N 311.341 3.446 10 10 DGCE Ic1ccc(N=NN2CCCC2)cc1 2318775685 GMIPLMJUQZZHLA-UHFFFAOYSA-N 301.131 3.386 10 10 DGCE Cc1nc2c(O)cccn2c1N=Nc1cc([N+](=O)[O-])ccc1O 2320774489 YPBCDQOTITUADE-UHFFFAOYSA-N 313.273 3.378 10 10 DGCE Cn1nc(NC(=O)Nc2ccc(N)cc2)cc1-c1ccccc1 170589445 VXSURRHGRKJFPT-UHFFFAOYSA-N 307.357 3.313 10 10 DGCE CO[C@H](C)CCOC(=O)c1cc(C)n(-c2ccccn2)c1C 174810468 QESAMPMQADLPKW-CYBMUJFWSA-N 302.374 3.071 10 10 DGCE Cc1cc(C(=O)NC(C)C)c(C)n1-c1ccc2c(c1)OCCO2 28261850 HRXWKJSTPOWLJN-UHFFFAOYSA-N 314.385 3.004 10 10 DGCE C[C@H](c1cc(Br)ccc1O)N(C)C[C@H]1CCCO1 251793899 WRIZDSLJHRHZDH-ZYHUDNBSSA-N 314.223 3.327 10 10 DGCE CN(C)c1ccc(/C=C\c2cc(C(F)(F)F)nc(O)n2)cc1 33481139 BXUXTHMBDVRIMH-UTCJRWHESA-N 309.291 3.437 10 10 DGCE O=C(N[C@@H](c1ccccc1)c1ccco1)c1cccc(O)c1O 186798149 NINYQDIDKFPIDN-INIZCTEOSA-N 309.321 3.210 10 10 DGCE Cc1cccnc1/C=C/C(=O)NCc1c(O)ccc2c1CCCC2 183978415 RPSYQUSMDVWIEX-PKNBQFBNSA-N 322.408 3.304 10 10 DGCE CC[C@H](NCC(=O)Nc1ccc(F)cc1)c1ccccc1O 183339547 UJKPPMPSGKGKHC-HNNXBMFYSA-N 302.349 3.211 10 10 DGCE CN(Cc1ccccc1O)C(=O)COCc1ccccc1Cl 77258435 KUTLPQDYMSJWKP-UHFFFAOYSA-N 319.788 3.221 10 10 DGCE Cc1cccc(CN[C@@H]2CCCN(Cc3ccccc3)C2)c1O 378960660 QCYXVTCBQKRCPR-LJQANCHMSA-N 310.441 3.455 10 10 DGCE Cc1ccc(O)c([C@@H](C)Nc2cccc(-n3nnnc3C)c2)c1 192823668 ATJJVVJCROXXBH-GFCCVEGCSA-N 309.373 3.158 10 10 DGCE CN(Cc1ncc(C(F)F)s1)c1ccc(CN)cc1F 2369561853 MSJLWCYRGGCAKS-UHFFFAOYSA-N 301.337 3.315 10 10 DGCE CC[C@@H](C)N(CCOC)Cc1cc(Br)ccc1O 133358667 IKQSDRFBONURAH-LLVKDONJSA-N 316.239 3.402 10 10 DGCE CCc1nc(NC(=O)CCOc2ccc(N)cc2)sc1C 49149101 NSQYQNPKEZDVDC-UHFFFAOYSA-N 305.403 3.004 10 10 DGCE CCNCc1ccc(N2CCSCC2)cc1Br 233533736 OOHHZGLXCOKIAG-UHFFFAOYSA-N 315.280 3.112 10 10 DGCE N[C@@H](c1c(Br)ccc(Cl)c1O)C(F)(F)F 95716285 UEBKZUOJXXBXOZ-ZETCQYMHSA-N 304.493 3.370 10 10 DGCE COc1cccc(CNC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1O 246123850 IPEAMEICJYAWLN-MBNYWOFBSA-N 306.406 3.025 10 10 DGCE C[C@@]1(C(=O)NCc2ccc3cccnc3c2O)C[C@H]2CC[C@H]1C2 529499977 CBKSEEFZTBOOFJ-VRHCTWJESA-N 310.397 3.383 10 10 DGCE C[C@@H](N[C@@H]1CCc2nc[nH]c2C1)c1cc2c(cc1O)CCCC2 377802499 KIONZWDLRYQRLL-IUODEOHRSA-N 311.429 3.202 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N1CC[C@@H](C)C1 800012969 UALJRNRMXKAGRZ-OAHLLOKOSA-N 303.450 3.425 10 10 DGCE COCC[C@H](COC)N[C@H](C)c1cccc(C(F)(F)F)c1O 815628381 YTFNWZYARAJNES-GHMZBOCLSA-N 321.339 3.113 10 10 DGCE Cc1c(C)n(C)c2ccc(OC(=O)c3cn(C(C)C)nn3)cc12 817762141 QIYDEBZMVPRINC-UHFFFAOYSA-N 312.373 3.187 10 10 DGCE Cn1cc(C[C@@H]2CCC[C@H]2NCc2cccc(Cl)c2O)cn1 827322059 STIHDXIJTCFBJL-XJKSGUPXSA-N 319.836 3.280 10 10 DGCE Cc1ncccc1/C=C\C(=O)NCc1ccc(N2CCCC2)cc1 822495522 JAWOJBAYXVWVOQ-FLIBITNWSA-N 321.424 3.320 10 10 DGCE C[C@@H]1CN(C(=O)c2c[nH]cc2-c2cnn(C)c2)c2ccccc21 495018215 MODXEMMBVWJZAT-GFCCVEGCSA-N 306.369 3.179 10 10 DGCE Oc1ccc(Cl)c(F)c1CNCCCC1CCOCC1 824477248 OGNJGKQYQQMUFX-UHFFFAOYSA-N 301.789 3.481 10 10 DGCE C[C@H]1CCN(C(=O)/C=C\c2cncc(O)c2)c2c(O)cccc21 588480166 XFACJFDZJRHANN-FJOGCWAESA-N 310.353 3.046 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)NCC[C@H]2CCCO2)cc1 914833859 RHJAMTSQTBODGW-GOSISDBHSA-N 312.413 3.393 10 10 DGCE CO[C@H](C)c1nc(CN2CCCc3cc(CN)ccc32)cs1 844218912 FCOGURGQFNIHGF-GFCCVEGCSA-N 317.458 3.262 10 10 DGCE Oc1c(Cl)cccc1CNc1ccc([C@H]2CNCCO2)cc1 849352658 OUWSRZRVMNCXDI-MRXNPFEDSA-N 318.804 3.319 10 10 DGCE C[C@@H](NC[C@@H](n1cccn1)C(F)(F)F)c1cc(F)ccc1O 858448558 CKKAYOBUKAKWDY-NOZJJQNGSA-N 317.286 3.182 10 10 DGCE CCCN(CCC)c1ccc(CN(CC(N)=O)C(C)C)cc1 768180337 MUHDNTVENOPMFR-UHFFFAOYSA-N 305.466 3.009 10 10 DGCE COc1ccc(-n2c(C)cc(CN(C)Cc3cn[nH]c3)c2C)cc1 769425379 PGCWKMINJIIJMF-UHFFFAOYSA-N 324.428 3.458 10 10 DGCE COc1ccc2c(c1)CCCCN2CCCCCNC(C)=O 930142082 HOYRSEUIBRGRDA-UHFFFAOYSA-N 304.434 3.144 10 10 DGCE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1Nc1ccc(N)cc1 1959370246 FBARRJKSNCGNBP-SWLSCSKDSA-N 305.422 3.326 10 10 DGCE CS[C@H]1C[C@H](NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 868515675 PKDAKMUCNNZKAF-WHOFXGATSA-N 307.463 3.007 10 10 DGCE COc1ccc2c(=O)n(CCCOc3ccc(N)cc3)ccc2c1 57879035 VIXMNBYSZUIZPT-UHFFFAOYSA-N 324.380 3.061 10 10 DGCE COC(C)(C)C[C@@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 896678350 AOEGKKBYSNTEOT-SECBINFHSA-N 323.414 3.246 10 10 DGCE CCN(Cc1cc(Cl)cc(Cl)c1O)[C@H](C)CC(=O)O 86763590 BTHXHUXCPAGUGK-MRVPVSSYSA-N 306.189 3.384 10 10 DGCE Cc1cccc(-n2c(C)cc(CNC(=O)[C@H]3C[C@@H]3F)c2C)c1 1132043737 LVUYQOZUPQEWNT-IRXDYDNUSA-N 300.377 3.377 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C 1142416879 JCYMEWZKTRYIHO-BNEJOLLZSA-N 300.446 3.393 10 10 DGCE COC(=O)[C@@H](NCCCN=[N+]=[N-])c1ccc(Cl)cc1Cl 90259430 ABGQDOJYZMNBGE-NSHDSACASA-N 317.176 3.498 10 10 DGCE C[C@H]1CCC[C@@H]1CNC(=O)c1cc2cc(O)c(O)cc2s1 1155458417 PEMPLZFJMXCNOZ-VHSXEESVSA-N 305.399 3.479 10 10 DGCE O=C(O)C=Cc1ccc(N2C[C@@H]3C[C@H]3C2)cc1Br 1911917431 ICUQBVRPJOVAEJ-QWRGUYRKSA-N 308.175 3.003 10 10 DGCE [N-]=[N+]=N[C@H]1CCN(C(=O)c2cc(Br)cn2C2CC2)C1 1912179663 STEWWCWMSDRLHS-VIFPVBQESA-N 324.182 3.110 10 10 DGCE Cc1cc(CN)ccc1N(C)Cc1cnn(Cc2ccccc2)c1 1915033827 MDMHRPKJFVJCMU-UHFFFAOYSA-N 320.440 3.335 10 10 DGCE Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC/C=C\CO)c1 1469971135 DPPLZNJMCCYDII-ARJAWSKDSA-N 318.804 3.026 10 10 DGCE CCc1cccc(C(=O)NCc2ccc(N(C)C)cc2C)c1O 1465034010 WEVJUNUJYMCYQJ-UHFFFAOYSA-N 312.413 3.259 10 10 DGCE C[C@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1O 1471194044 BIYMMHPOVVPOKC-RYUDHWBXSA-N 314.341 3.281 10 10 DGCE O=C(NCC1(c2ccccc2F)CCC1)c1cccc(O)c1O 1557345417 MSICARPEBSZYDG-UHFFFAOYSA-N 315.344 3.089 10 10 DGCE O=C(NCc1c(O)cccc1O)[C@@H]1CCCC[C@@H]1C(F)(F)F 1558536153 UXOURCOJQSWZAN-KOLCDFICSA-N 317.307 3.083 10 10 DGCE CC(C)(C)OC(=O)N(CC1CC1)C[C@H](N)c1ccccc1O 1928469581 JNGMENRFALQLSG-AWEZNQCLSA-N 306.406 3.039 10 10 DGCE CCCOC(=O)[C@H](C)N1CCCc2cc(OC(F)F)ccc21 1644806139 JKSSCCICYONLOM-NSHDSACASA-N 313.344 3.382 10 10 DGCE Cc1cc(CN2C[C@@H](C)[C@](C)(CO)C2)ccc1N1CCCCC1 1647806503 IFPJHZUGZKIGJK-XLIONFOSSA-N 316.489 3.436 10 10 DGCE CC/C(C)=C\C(=O)N[C@H](C)CCNCc1ccc(OC)c(C)c1 1732692745 IEXOCOONCGCGSI-SYCZXOQXSA-N 318.461 3.344 10 10 DGCE CC(C)O[C@@H]1C[C@@H](NC(=O)N[C@H](C)c2ccccc2O)C1(C)C 1681359720 SRCZIGICWKOSAW-DAXOMENPSA-N 320.433 3.345 10 10 DGCE CCN(C(=O)OC(C)(C)C)C1CCN(CCCN=[N+]=[N-])CC1 1962303184 FHEKKALWZOIQBB-UHFFFAOYSA-N 311.430 3.408 10 10 DGCE CC[C@@H](NCc1ccncn1)c1cc(Br)ccc1O 233888080 ZJDBKNWUEIXHQU-CYBMUJFWSA-N 322.206 3.186 10 10 DGCE C[C@H](N)c1ccc2c(c1)CCCN2CCOCC(F)(F)F 162217150 INLAZRONLGKPBD-NSHDSACASA-N 302.340 3.038 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)N(C)[C@H]1CCOC1 162624664 MDUDJAQFGJABRT-ZDUSSCGKSA-N 304.415 3.017 10 10 DGCE C[C@@H]1C[C@H]1[C@@H](C)NCc1cc(Br)cc(F)c1O 1942720498 NKRBOIZKRPXGIN-SOCHQFKDSA-N 302.187 3.428 10 10 DGCE COc1ccc(N(C)[C@H]2CC[C@H]2OCc2ccccc2)c(N)c1 1939610503 JLOHIOCSEZEXED-RBUKOAKNSA-N 312.413 3.461 10 10 DGCE Cc1ccc(O)c(CNCCC(=O)Nc2c(F)cccc2F)c1 1857854235 RBCCUBBRCHGMQI-UHFFFAOYSA-N 320.339 3.097 10 10 DGCE Cc1cc(OCc2ccc(N)cc2)cc(=O)n1Cc1ccccc1 1857921576 CZTGXIUKOZMOKG-UHFFFAOYSA-N 320.392 3.366 10 10 DGCE CC(C)(C)[C@@](C)(O)CNCc1cccc(Br)c1O 1964603837 CCZJCQLCWFYMOJ-AWEZNQCLSA-N 316.239 3.041 10 10 DGCE Cc1cc(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)c(Br)s1 1951110606 LNNXXDNDYXETHF-SSDOTTSWSA-N 315.196 3.344 10 10 DGCE Oc1c(F)cc(Br)cc1CN1CCC[C@H]1CF 1970256934 NYZTVQAKCIMIHP-JTQLQIEISA-N 306.150 3.228 10 10 DGCE CC(C)(C)OC(=O)NC1(C2([C@@H](N)c3ccccc3O)CC2)CC1 1981384804 IBPWAAPPONKPNW-AWEZNQCLSA-N 318.417 3.230 10 10 DGCE Nc1ccc(O)c(CNC(=O)c2c(Cl)cccc2Cl)c1 36737502 JNMNVGYBBONICI-UHFFFAOYSA-N 311.168 3.211 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@]12C[C@@H](COc1ccc(N)cc1)C2 1992519697 NESNPVUKKMBTRC-KTXOBNNYSA-N 318.417 3.437 10 10 DGCE CNCc1ccc(N2CCCSCC2)c(C(F)(F)F)c1 163687068 GVCILNWTEVOSEF-UHFFFAOYSA-N 304.381 3.368 10 10 DGCE C[C@H](NCc1ccc(Br)cc1O)c1cnsc1 1998188522 LNHYTRAEXORPIT-QMMMGPOBSA-N 313.220 3.462 10 10 DGCE CC(C)(F)[C@H]1CCN(c2ccc(CN)c(Br)c2)C1 2028903709 APOPYTYNXAFDOC-NSHDSACASA-N 315.230 3.482 10 10 DGCE Cn1c(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])cc(Cl)c1Cl 701282752 WTESXALPNVMCNS-SSDOTTSWSA-N 302.165 3.247 10 10 DGCE COc1ccc(CNC2[C@H]3CN(Cc4ccccc4)C[C@H]23)cc1C 398328240 PKGXPXXWARSBBU-OALUTQOASA-N 322.452 3.224 10 10 DGCE C[C@H](N)c1ccc(N2CCCOC[C@H]2C)c(Br)c1 398890556 MOUAZKFPIVTAPM-MNOVXSKESA-N 313.239 3.084 10 10 DGCE CNCc1cnn(-c2ccc(O)c(O)c2)c1C1CCCCC1 2069777107 ZBZIKUOYHPZOLF-UHFFFAOYSA-N 301.390 3.051 10 10 DGCE COC(=O)c1cc(C(C)C)nn1[C@@H](C)c1ccc(F)cc1O 2069952691 FAHMUPICXKLIAX-JTQLQIEISA-N 306.337 3.247 10 10 DGCE Cc1ccc([C@H](C(C)C)n2nc(C(F)F)c(CN)c2N)c(O)c1 2079061537 YEAMBGJHYQNUEJ-AWEZNQCLSA-N 324.375 3.121 10 10 DGCE CCOCC1CCN(c2cc(Cl)c(CN)cc2F)CC1 2177377509 MZUGBYGPQQFXQM-UHFFFAOYSA-N 300.805 3.191 10 10 DGCE CP(C)(=O)[C@@H]1CCCN(c2ccc(CN)cc2Cl)C1 2103091164 OFVNGGRENAMJQM-GFCCVEGCSA-N 300.770 3.390 10 10 DGCE CNCc1ccc(N2C[C@](C)(F)[C@](C)(Br)C2)cc1 2084857766 WWUQPIUUQDZAID-KGLIPLIRSA-N 315.230 3.108 10 10 DGCE CO[C@@H]1C[C@H](C)CN(Cc2cccc(Br)c2O)C1 2085098182 OJJCIZXBYAXDLS-CMPLNLGQSA-N 314.223 3.012 10 10 DGCE Oc1ccc(Br)cc1CNCc1cnoc1C1CC1 2093965845 YSROMROJIFGZGR-UHFFFAOYSA-N 323.190 3.310 10 10 DGCE Cc1ccnc(Br)c1NC(=O)Nc1ccc(N)cc1 2227252122 ILMLXBFTZTWTEN-UHFFFAOYSA-N 321.178 3.379 10 10 DGCE CN(c1ccc(N)cc1)[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2245366192 AIPZFLFXWUMHLX-OAHLLOKOSA-N 319.449 3.351 10 10 DGCE C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)C=Cc2ccc(O)c(O)c2)C1 2308699084 UEYZXSBWAZRAHW-CJNGLKHVSA-N 324.380 3.116 10 10 DGCE NCc1ccc(N2CC=C(C(F)(F)F)C2)c(Br)c1 2318084379 DASUFCKGTBQYOM-UHFFFAOYSA-N 321.140 3.217 10 10 DGCE O=C(O)[C@]1(Sc2nccs2)CS[C@H](C(F)(F)F)C1 2327014117 MUIZRMOXRCLVTB-YLWLKBPMSA-N 315.363 3.126 10 10 DGCE Cc1ccc(CNc2cncc(N)c2)c(O)c1Br 2327591681 LQPSCKIVHUYUBW-UHFFFAOYSA-N 308.179 3.052 10 10 DGCE Cc1cc(NS(=O)(=O)c2ccc(Cl)o2)cc(C)c1O 2340839994 UEHPOMHJIIIAKR-UHFFFAOYSA-N 301.751 3.056 10 10 DGCE NC1C[C@@H]2CCC[C@H](C1)N2c1ccc(OC(F)(F)F)cc1 54601658 DRCPLAWROASVDL-VGPLMAKISA-N 300.324 3.434 10 10 DGCE C[C@@H](Cc1ccsc1)N(C)Cc1cc([N+](=O)[O-])ccc1O 176452599 YYXJXYXODJKSEI-NSHDSACASA-N 306.387 3.425 10 10 DGCE Cc1cc(O)c([C@H]2[C@@H](N)CCN2C(=O)OC(C)(C)C)cc1C 1953003546 YJPDOEWRKNVHRK-ZFWWWQNUSA-N 306.406 3.018 10 10 DGCE Nc1ccc(OCCCc2nc(-c3cccs3)no2)cc1 38055832 ZQHHENZMXYAZLX-UHFFFAOYSA-N 301.371 3.392 10 10 DGCE CCOc1ccc(O)c(CNc2ccc(OC3COC3)cc2)c1 186501696 HAZMRTISLKSVQX-UHFFFAOYSA-N 315.369 3.181 10 10 DGCE Cc1cc(O)c([C@@H]2CC(=O)CN2C(=O)OC(C)(C)C)cc1C 1952931934 QQJGRGTUYHLLDN-AWEZNQCLSA-N 305.374 3.260 10 10 DGCE CC1=NNC(=O)/C1=C\c1ccc2noc(-c3ccccc3)c2c1 35516039 XJKIXIAJCRLAPY-ZROIWOOFSA-N 303.321 3.384 10 10 DGCE CNCc1cc(F)c(N2CCC[C@H](C(F)(F)F)C2)c(F)c1 88432477 KEGASDDGOKKCDT-JTQLQIEISA-N 308.294 3.463 10 10 DGCE COc1cc(OC)c(N2C[C@H](C(C)C)NC[C@H]2C)cc1Cl 86155304 YTAMYCBTVSESNW-DGCLKSJQSA-N 312.841 3.180 10 10 DGCE CCC[C@@H]1CN(c2cc(Cl)c(OC)cc2OC)CCCN1 86287793 OHRFIIHJRZKPGX-GFCCVEGCSA-N 312.841 3.326 10 10 DGCE CC(C)CC[C@H](N)c1cc(I)ccc1O 95769534 XZOMATJMRXHYJT-NSHDSACASA-N 319.186 3.433 10 10 DGCE COc1ccc(CN(C)[C@@H](C)Cc2ccc(O)cc2)c(O)c1 93324924 LAKNDVSIRBUVOK-ZDUSSCGKSA-N 301.386 3.169 10 10 DGCE COc1ccccc1CCCOC(=O)Nc1ccc(N)cc1 240829559 BERWUUFKOLNHKW-UHFFFAOYSA-N 300.358 3.459 10 10 DGCE CC[C@@H](NC[C@@H](O)c1ccccc1OC)c1ccc(F)cc1O 285541487 CCNKVKWNKYAFFM-NVXWUHKLSA-N 319.376 3.314 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)NCCC1(F)CCC1 806043310 GNLBSEHXAACUIS-UHFFFAOYSA-N 307.413 3.176 10 10 DGCE COc1ncc(/C=C/C(=O)N(C)c2ccccc2C(C)C)cn1 809390063 CFHMHVQZDLSRJE-MDZDMXLPSA-N 311.385 3.285 10 10 DGCE CC[C@@H](N[C@@H]1CCc2nc[nH]c2C1)c1cc(Cl)ccc1O 810254765 RATAAMQJJXUWJW-DGCLKSJQSA-N 305.809 3.367 10 10 DGCE C[C@@H]1CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@@H]1C 816647873 ZHCALMXNIDPVJY-ZIAGYGMSSA-N 303.406 3.425 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)/C=C/[C@H]1CCCO1 819137675 HBLCKNUEXMBJQQ-IENJSVCTSA-N 316.445 3.225 10 10 DGCE CN(C)c1ccc(/C=C/CN2C[C@@]3(C)COC[C@@]3(C)C2)cc1 827017694 IHNWLJJVTLMDRA-QCUQMOABSA-N 300.446 3.124 10 10 DGCE CCCN1CC[C@@H](CNC/C=C/c2ccc(N(C)C)cc2)C1 835034565 BLNSVELDHAVOJA-QWNKOJSDSA-N 301.478 3.087 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCC[C@H](n3ccnc3)C2)cc1 835028786 SHFPVUGEKRYWMS-UABKOXTMSA-N 310.445 3.299 10 10 DGCE Cc1cc(C(=O)CN2C[C@H](C)[C@@H]2C)c(C)n1-c1ccc(F)cn1 830027956 CRGQEIXIIMDCOA-AAEUAGOBSA-N 315.392 3.151 10 10 DGCE Cc1cc(O)c(CNCCN2Cc3ccccc3C2)c(Cl)c1 840885746 GYYDXBLXDKXOPK-UHFFFAOYSA-N 316.832 3.459 10 10 DGCE O=C(NCc1ccccc1O)[C@@H]1C[C@@H]1c1cc(F)ccc1F 743326725 HTGUCGRJFKRRHG-TZMCWYRMSA-N 303.308 3.090 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)[C@]3(C)CC=CCC3)C2)cc1 855222819 AZNGIKDQTGVCOK-DNVCBOLYSA-N 314.429 3.137 10 10 DGCE C[C@H](CNC(=O)NCCc1ccc(N)cc1)C1CCCCC1 851664985 NGPOIXVOIYWJKL-CQSZACIVSA-N 303.450 3.327 10 10 DGCE COc1cc(CN[C@@H]2CCC[C@H](CO)C2)c(O)c(C(C)(C)C)c1 850326630 APTWJWLZUZWQCA-DZGCQCFKSA-N 321.461 3.339 10 10 DGCE C[C@H](N[C@@H]1CCCN(C)C1)c1ccc(Cl)c(Cl)c1O 756442615 FLHNXJKSNWTHJS-VHSXEESVSA-N 303.233 3.444 10 10 DGCE COc1ccc(N2CC[C@H](Nc3sccc3[N+](=O)[O-])C2)cc1 853758394 DWQQXRCKWHNOLI-NSHDSACASA-N 319.386 3.356 10 10 DGCE COc1ccc(O)c([C@@H](C)NCCN(C)C2CCCCC2)c1 756459251 ZAKMUPYQNZFXSL-CQSZACIVSA-N 306.450 3.316 10 10 DGCE CCS[C@H](C(=O)NCc1ccc2cccnc2c1O)C(C)C 862027883 IJXLPZARQAUWOT-INIZCTEOSA-N 318.442 3.334 10 10 DGCE CCC(F)(F)C(C)(C)CNC(=O)c1ccc(C)c(O)c1O 862945128 LTFPVFXGTANEFQ-UHFFFAOYSA-N 301.333 3.208 10 10 DGCE c1cc(CN(Cc2ccc(N3CCOCC3)cc2)C2CC2)ccn1 930112583 XZOPMVRPPCVMMB-UHFFFAOYSA-N 323.440 3.083 10 10 DGCE C[C@@H]1C[C@H](N[C@@H]2[C@H]3C[C@@H]4CO[C@@H]2[C@H]4C3)c2c(O)ccc(F)c21 866447135 ZDBLWWZOVMRZPC-DPBXLHMCSA-N 303.377 3.093 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](Nc3ccccc3N)[C@H]1C2 1959360110 VYSHGDZLTUVLDU-KCPJHIHWSA-N 303.406 3.079 10 10 DGCE CCc1cccc(CNC[C@@H]2CC[C@]3(CO[C@@H](C)[C@H]3C)O2)c1O 895823273 ZAVIUZGRQWCSMA-MCPREKNCSA-N 319.445 3.017 10 10 DGCE Cc1ccc(C[C@@H](CO)NCc2cc(Cl)cc(C)c2O)cc1 786578733 IDBHCXQQYAVWAI-KRWDZBQOSA-N 319.832 3.356 10 10 DGCE CCOc1cccc(CN2CCC3(CCCCO3)CC2)c1O 895658712 MRWCUFVSJWWAOO-UHFFFAOYSA-N 305.418 3.326 10 10 DGCE CC1=C[C@@H](C)CN(C(=O)NCc2ccc(N(C)C)cc2C)C1 797461169 XORZYLKZUJZXNC-CYBMUJFWSA-N 301.434 3.169 10 10 DGCE COc1ccc(CNC(=O)[C@H]2Cc3ccc(Cl)cc32)c(O)c1 1155575695 XDAKHMBXMRMPOE-HNNXBMFYSA-N 317.772 3.010 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H](C)c2ncon2)cc1 1178714881 OPEZHHSTKOJEBR-GFCCVEGCSA-N 324.384 3.011 10 10 DGCE CO[C@@H]1CCN(Cc2cc(Br)cc(C)c2O)[C@@H]1C 1914344971 AAAXIZBLOJGPDC-ZWNOBZJWSA-N 314.223 3.072 10 10 DGCE [N-]=[N+]=NC[C@H]1CCN(CCc2ccc(Br)cn2)C1 1912186699 GCJZVHMVIZKCGC-SNVBAGLBSA-N 310.199 3.019 10 10 DGCE COc1cccc(C(=O)NCc2ccc3cccnc3c2O)c1C 1451962865 UNOGXTJMCRPEHB-UHFFFAOYSA-N 322.364 3.187 10 10 DGCE O=C(c1sccc1Br)N1Cc2cccc(O)c2C1 1455037348 PXMQMNIZVWCLGG-UHFFFAOYSA-N 324.199 3.372 10 10 DGCE N[C@@]1(c2ccccc2O)CCc2c(Br)cccc21 1920433218 OQDOLZGVAJTZML-HNNXBMFYSA-N 304.187 3.303 10 10 DGCE CC[C@H](N[C@H]1C[C@@H]1NC(=O)OC(C)(C)C)c1ccccc1O 227548230 JOIRUZNICSXMRH-IHRRRGAJSA-N 306.406 3.099 10 10 DGCE O=C(CCOc1cccc(F)c1)NCc1cccc(Cl)c1O 1472315910 ILPXEYNGTTXXNR-UHFFFAOYSA-N 323.751 3.270 10 10 DGCE CCN[C@H](CCCNC(=O)OC(C)(C)C)c1ccccc1O 1928465514 QAHJPHCNJJNZAT-CQSZACIVSA-N 308.422 3.348 10 10 DGCE O=C(NCc1c(O)cccc1O)c1ccc(C(F)(F)F)cc1 1647268816 DPRZKEPURIFQGL-UHFFFAOYSA-N 311.259 3.047 10 10 DGCE COc1cccc(C(=O)NCc2ccc3c(c2)CCCN3C)c1C 1597856277 ULAZFVNLOLQGBD-UHFFFAOYSA-N 324.424 3.316 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N(C)CCCN=[N+]=[N-] 1962303903 JUNYMZRMJPSFER-OLZOCXBDSA-N 311.430 3.264 10 10 DGCE OC[C@@](CCSc1nccs1)(NC1CC1)c1ccccc1 168455645 JYZBJOLSZPTSQK-MRXNPFEDSA-N 320.483 3.265 10 10 DGCE O=C(NCc1ccc(O)c(O)c1)[C@H]1C[C@H]1c1cccc(Cl)c1 159106941 CRDXUNVPFQECFE-KBPBESRZSA-N 317.772 3.171 10 10 DGCE CCNCc1ccc(N2CC(SC)C2)c(Br)c1 1948312824 HARQTPYATSNKBX-UHFFFAOYSA-N 315.280 3.110 10 10 DGCE COc1cc(Cl)cc(CNC[C@H](F)C(F)(F)F)c1O 1876096723 YFRSGRIWKODHQN-VIFPVBQESA-N 301.667 3.044 10 10 DGCE CCN(Cc1ccc(N)cc1)Cc1cncc(Br)c1 167081365 MYXHYFNVANMDQF-UHFFFAOYSA-N 320.234 3.448 10 10 DGCE CN(CCCC(=O)O)c1ccc(CNC(=O)OC(C)(C)C)cc1 1977838505 IQRWNOTUAWWTKT-UHFFFAOYSA-N 322.405 3.012 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@@H](Oc1ccc(N)cc1)C2 1992448218 ZUDGYYKKEGTIRJ-XEZPLFJOSA-N 318.417 3.293 10 10 DGCE Cc1ccc(CN[C@H](CNC(=O)OC(C)(C)C)C(C)C)c(O)c1 1994457542 CVJNKXLGZMXFRW-OAHLLOKOSA-N 322.449 3.340 10 10 DGCE C[C@@H](N)Cc1cnc(Sc2ncnc3ccccc23)s1 2155374364 ZTRFOGZEQHSEAI-SECBINFHSA-N 302.428 3.127 10 10 DGCE CC(C)(F)[C@@H]1CCN(c2ccc(CN)c(Br)c2)C1 2028903708 APOPYTYNXAFDOC-LLVKDONJSA-N 315.230 3.482 10 10 DGCE C[C@@H]1C[C@@H](CN(C)Cc2cc(Br)ccc2O)CO1 2040273535 FOSXZVTWFQICHL-MNOVXSKESA-N 314.223 3.012 10 10 DGCE CCN[C@H]1CCN(c2ccc(OC(F)(F)F)c(Cl)c2)C1 401257640 KMXRDUDVSWMTOE-VIFPVBQESA-N 308.731 3.427 10 10 DGCE CCCN[C@]1(C(=O)O)CCC[C@H](CSc2nccs2)C1 404035293 HMCIITOXYYJTQU-SMDDNHRTSA-N 314.476 3.248 10 10 DGCE C[C@@H]1CCO[C@@H]1CCN(C)c1cc(Cl)c(CN)cc1F 2177388198 OHXTVDJHMXOCPC-MEBBXXQBSA-N 300.805 3.189 10 10 DGCE C[C@H](NCc1cnn(Cc2ccccc2)c1)c1c(O)cccc1O 390425210 LXZQIPDTSAGXSX-AWEZNQCLSA-N 323.396 3.193 10 10 DGCE C[C@@H](O)c1cc(F)c(N(CC(F)F)CC(F)F)c(F)c1 2194530052 AHRXCVJTWXFEAL-ZCFIWIBFSA-N 301.230 3.355 10 10 DGCE Cc1ccc(Br)c(OCCc2ccc(N)cc2)n1 2056268520 CEUOQBCTOZKOSD-UHFFFAOYSA-N 307.191 3.356 10 10 DGCE COCCOCCCN(C)[C@@H](C)c1cc(Cl)ccc1O 2186326071 WWDDIRPYHNHLBP-LBPRGKRZSA-N 301.814 3.092 10 10 DGCE C[C@H](N)c1ccc(N2CC[C@H](OC(F)(F)F)C2)c(Cl)c1 2238903753 HKMQTWZPPJEFCZ-WPRPVWTQSA-N 308.731 3.475 10 10 DGCE Cc1cccnc1N(C)C(=O)/C=C/c1cnc2ccccc2n1 491956221 ATCTTYDXWFXWPL-MDZDMXLPSA-N 304.353 3.009 10 10 DGCE COc1ccc(Cc2noc(C=Cc3ccc(O)c(O)c3)n2)cc1 2308907980 IVCXXISSVBKPBF-UHFFFAOYSA-N 324.336 3.251 10 10 DGCE Cc1ccc(OC[C@H](O)COc2ccc(N)cc2)c(Cl)c1 54349112 GOPDCIXPEIPKFM-CYBMUJFWSA-N 307.777 3.049 10 10 DGCE c1ccc(-n2ccnc2)c(CNCc2ccc3c(c2)CCO3)c1 67250154 HZAGJVBNYCTZRR-UHFFFAOYSA-N 305.381 3.097 10 10 DGCE CC(C)(C)OC(=O)N1CCCCC(=O)[C@H]1c1c(N)cccc1O 1953068353 WKYRIFFJXFSOPO-HNNXBMFYSA-N 320.389 3.006 10 10 DGCE Cc1ccc(O)c([C@@H](C)N[C@@H](C)c2nnc3n2CCCCC3)c1 319814426 JDKHZDIMCLQASB-KGLIPLIRSA-N 314.433 3.430 10 10 DGCE Cc1ccc([C@@H](C)NCC(=O)Nc2ccc(F)cc2)c(O)c1 185243718 UIOOEWRRJHDYSB-GFCCVEGCSA-N 302.349 3.129 10 10 DGCE COc1ccc(O)c([C@H](C)NCc2nccn2CC(C)C)c1 185545921 XVNMKGLVVCCMNX-ZDUSSCGKSA-N 303.406 3.104 10 10 DGCE CCN1C(=O)/C(=C/C=C/c2ccccc2OC)SC1=S 198587569 MMCHKCDBNJNBGP-DEOSACLMSA-N 305.424 3.473 10 10 DGCE COc1ccc(CN2CCO[C@@H](c3cccs3)C2)c(O)c1 92594901 FDDKBPMUIKMZFI-OAHLLOKOSA-N 305.399 3.036 10 10 DGCE Nc1ccc(Oc2ncc([N+](=O)[O-])cc2Br)cc1 93434477 SKZJPXXBNWNIAE-UHFFFAOYSA-N 310.107 3.127 10 10 DGCE Fc1cc(CN2CC[C@H]3CCCC[C@@H]32)ccc1N1CCOCC1 92709650 CLSZLDCXKNSBRG-AEFFLSMTSA-N 318.436 3.427 10 10 DGCE Oc1cccc2c1[C@@H](NC[C@@H]1CCN1C1CCCCC1)CC2 527943768 BZQXJUSKNUGTDH-IRXDYDNUSA-N 300.446 3.376 10 10 DGCE Cc1cccc(CN[C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)c1O 1335133038 BYRPPJHXNZRFBP-CTYIDZIISA-N 320.433 3.094 10 10 DGCE C[C@@H]1SCCS[C@H]1[C@@H](N)c1ccc2c(c1)CCCN2C 2163096978 KEWJNTGMPOXKRB-KNXALSJPSA-N 308.516 3.306 10 10 DGCE CN(C)c1ccc(CN2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1F 824696990 WYIXCPIJYLYCLA-WDYCEAGBSA-N 320.452 3.407 10 10 DGCE CN(C/C=C\c1ccc(N(C)C)cc1)C[C@H]1CCCN(C)C1 835026450 WSOWXFMZEVLPMY-LZCIBIBXSA-N 301.478 3.039 10 10 DGCE CCOc1ccc(O)c(CN[C@H](c2cnn(C)c2)C(C)(C)C)c1 748246860 QHBHWZDGLJCSDB-QGZVFWFLSA-N 317.433 3.401 10 10 DGCE Cc1nocc1/C=C1\SC(=S)N(C(C2CC2)C2CC2)C1=O 841498746 UPIOHHYYTQAGAQ-SDQBBNPISA-N 320.439 3.373 10 10 DGCE Cc1cccc([C@H](O)CNCc2c(O)cc(C)cc2Cl)c1 840909310 QACOILFXEDEGKQ-QGZVFWFLSA-N 305.805 3.486 10 10 DGCE C[C@@H](N[C@@H]1CNCC[C@@H]1c1ccccc1)c1ccc(F)cc1O 854222708 KBTPQESXOYLOFD-FSPWUOQZSA-N 314.404 3.328 10 10 DGCE COC[C@@H](N[C@H](C)c1ccc(C)c(C)c1O)C1CCOCC1 850494671 VYEUIFUKOYJGRN-RHSMWYFYSA-N 307.434 3.101 10 10 DGCE C[C@@H](Nc1cnn(-c2ccncc2)c1)c1cc(F)cc(F)c1O 756868469 UODGGHZFYZZVDN-SNVBAGLBSA-N 316.311 3.424 10 10 DGCE C[C@H](NC(=O)c1cc(O)cs1)c1ccc2c(c1)CCCO2 856494184 BGJYINMXAYOWPQ-JTQLQIEISA-N 303.383 3.270 10 10 DGCE CCC(CC)[C@H](C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855233535 IFBSXNPLTQTJNP-GOEBONIOSA-N 318.461 3.462 10 10 DGCE COc1nc(C)cc(C)c1CN(C)Cc1cc(C)ccc1O 857068975 JZIVCNXJGZBJLB-UHFFFAOYSA-N 300.402 3.353 10 10 DGCE CC[C@H](N[C@@H]1[C@H]2C[C@@H]3CO[C@H]1[C@H]3C2)c1ccc(N(C)C)cc1 866444498 INNONJYATOSIDZ-QILXNOBMSA-N 300.446 3.217 10 10 DGCE CN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@H]1c1ccsc1 875869520 HGJYOTVKUNLDAM-UONOGXRCSA-N 302.399 3.151 10 10 DGCE C[C@@H]1O[C@H](C)CN(Cc2cccc(Br)c2O)[C@H]1C 783736969 GRKQOQAPOQIDMC-VWYCJHECSA-N 314.223 3.152 10 10 DGCE CC[C@@H]1COC[C@@H]1N(C)Cc1cc(Br)ccc1O 688186034 CXERMSIYJATINL-MFKMUULPSA-N 314.223 3.012 10 10 DGCE CC(C)(C)c1ccc(CNC(=O)c2cccc(O)c2O)s1 1177212294 WKSRHBXBXSOFJU-UHFFFAOYSA-N 305.399 3.387 10 10 DGCE CCc1cccc(CNC(=O)NCc2c(O)cccc2F)c1 1252561438 HOLSGOMEYIMZDE-UHFFFAOYSA-N 302.349 3.093 10 10 DGCE C[C@@H](c1cc(O)ccc1O)N(Cc1ccccc1)[C@H](C)C(=O)O 1902368387 YFDFAYNBYGKETG-QWHCGFSZSA-N 315.369 3.134 10 10 DGCE CCOc1cccc(/C=C/C(=O)NCc2ccc(N(C)C)cc2)c1 1348908569 CPXSMWUMGWDVTG-JLHYYAGUSA-N 324.424 3.481 10 10 DGCE C[C@@H](N)c1ccc(N(Cc2ccccc2)[C@H](CO)C2CC2)cc1 1915190082 VHNAPTPOZGSTLP-FOIQADDNSA-N 310.441 3.484 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)c2nc(Cl)ccc2Cl)C1 1912162651 YSCCLYVCBZPFAY-ZETCQYMHSA-N 300.149 3.161 10 10 DGCE CCOP(=O)(CCN1CCC[C@@H](CN=[N+]=[N-])C1)OCC 1912196267 UBIKXJRGELVJPX-LBPRGKRZSA-N 304.331 3.275 10 10 DGCE CN(CCCN=[N+]=[N-])C(=O)c1ccc(Br)c(F)c1 1912209627 BGJINZIFFKWJJG-UHFFFAOYSA-N 315.146 3.361 10 10 DGCE CC1(C)C[C@H]([C@H](N)c2ccccc2O)N(C(=O)OC(C)(C)C)C1 1912801367 QHFSZSCBJRWQHP-UKRRQHHQSA-N 320.433 3.428 10 10 DGCE CC(C)(C)OC(=O)Nc1ccc(O)c([C@@](C)(N)C(F)F)c1 1535933278 VNRCTHGCNDGCSP-CQSZACIVSA-N 302.321 3.178 10 10 DGCE O=C(/C=C/c1cccc(O)c1)NCc1cccc(Cl)c1O 1637227188 QOXYCXNYFKQSNS-BQYQJAHWSA-N 303.745 3.081 10 10 DGCE CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@H](N)c1ccccc1O 1928477903 ZWAIXAAFKSWJBC-ZFWWWQNUSA-N 308.422 3.331 10 10 DGCE COc1ccc(N(C)CCN(C)Cc2cccc(OC)c2)cc1 1654114403 JPONGJMOKRJCPE-UHFFFAOYSA-N 314.429 3.272 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)/C=C/c2ccccc2)cc1 1586649933 SSXTZIPBBJTCIE-NTEUORMPSA-N 324.424 3.303 10 10 DGCE C=Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2O)cc1 1664995756 VHJOZCUERYXLGM-LBPRGKRZSA-N 303.383 3.075 10 10 DGCE COc1ccc(CN[C@@H](C)[C@H](C)NC(=O)CC2CCC2)cc1C 1674647004 MMLJLOIMLYGMNF-GJZGRUSLSA-N 318.461 3.177 10 10 DGCE C[C@@H](NC[C@@H]1CCCN1C)c1ccc(N2CCCCC2)cc1 154507006 UEEFAXXTFZTOBU-APWZRJJASA-N 301.478 3.422 10 10 DGCE CCCC1=NN(CCC)C(=O)/C1=C/c1ccc(O)c(OC)c1 1865677031 SCNJASRPDYSQEB-JLHYYAGUSA-N 302.374 3.193 10 10 DGCE CCN(CC)c1ccc(CN[C@@H]2CCC[C@H]2C(=O)OC)cc1F 1320835706 AWVIFZWBQTYKFZ-GDBMZVCRSA-N 322.424 3.103 10 10 DGCE CP(C)(=O)[C@H]1CC[C@H](NCc2ccc(F)c(F)c2O)C1 1973924409 LBLQGOZERZVUME-QWRGUYRKSA-N 303.289 3.304 10 10 DGCE CSCC1CC(NCc2cccc(Br)c2O)C1 1974332967 MHXCBYKGFWOYLB-UHFFFAOYSA-N 316.264 3.386 10 10 DGCE CCN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2ccc(N)cc2)C1 1977934281 ORKPCNIDSKEEFX-INIZCTEOSA-N 319.449 3.495 10 10 DGCE C[C@H](CO)N(Cc1ccccc1)c1ccc2c(c1)CCC[C@@H]2N 1986601958 ZDOPLLOOOLYTGW-QRWLVFNGSA-N 310.441 3.410 10 10 DGCE CN(Cc1c(O)cccc1Br)[C@H]1CCC[C@H]1F 2006800562 BRVIBBHRJRWIRR-NEPJUHHUSA-N 302.187 3.477 10 10 DGCE CCNCc1cnc(Sc2ccc3c(c2)OCCO3)s1 2155313683 NAASDPGZSJOZCP-UHFFFAOYSA-N 308.428 3.175 10 10 DGCE CN(CCC1CC1)c1ccc(CN)c(Br)c1F 383845941 LATMIQKVMVNACQ-UHFFFAOYSA-N 301.203 3.283 10 10 DGCE C[C@H](NCc1cnc(Br)s1)c1ccccc1O 718191610 HMYBNSZOQMQMRC-QMMMGPOBSA-N 313.220 3.462 10 10 DGCE Cc1c(C(C)C)nn(Cc2cccc(Br)c2O)c1N 2079737636 XLQKHCWTWBZLMN-UHFFFAOYSA-N 324.222 3.414 10 10 DGCE CC(C)(C)[C@@H]1NCC[C@@H]1Nc1c(N)cccc1Br 2072345997 PJPVZISMVHICST-WCQYABFASA-N 312.255 3.220 10 10 DGCE C[C@H](N)c1ccc(N(C)CCOC(F)F)c(Br)c1 2082817089 ITGNBDRIXGDJCD-QMMMGPOBSA-N 323.181 3.144 10 10 DGCE CN[C@H](C)c1ccc(N(C)Cc2cocn2)c(Br)c1 2104104614 MEDOZBBRLJCIMG-SNVBAGLBSA-N 324.222 3.354 10 10 DGCE Cc1ccc(Br)c(CNCc2c(C)cccc2O)n1 2112734254 LFZTXMBQHLLAPA-UHFFFAOYSA-N 321.218 3.456 10 10 DGCE COC[C@](C)(CN(C)[C@H](C)c1ccc(Cl)cc1O)OC 2203363272 RFTBGMIAJSZUAE-ABAIWWIYSA-N 301.814 3.090 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NC(=O)c1ncc(Cl)cc1Cl 2225795878 RIKCIBOZSZFMPU-DTWKUNHWSA-N 300.149 3.350 10 10 DGCE OCc1ccc(N2CCC[C@@H](OCC(F)F)C2)cc1Cl 2279246238 XMDCDLIIVNETCD-GFCCVEGCSA-N 305.752 3.083 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)N1CC=C(c2ccccc2)CC1 2307987490 KORSGVZSQUPGAC-UHFFFAOYSA-N 321.376 3.427 10 10 DGCE Cc1ccc(CN2CC(C(F)F)C2)c(O)c1Br 2307474433 WEMYUGQAZDVVPX-UHFFFAOYSA-N 306.150 3.160 10 10 DGCE C[C@H](N)c1ccc(N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)c(Br)c1 2308724177 CTWIJFZGOBJDKG-WJYQBBMDSA-N 307.235 3.313 10 10 DGCE CN(CCc1ccc(F)cc1)Cc1cc([N+](=O)[O-])ccc1O 170913932 OIJVWYSRCUBLPJ-UHFFFAOYSA-N 304.321 3.114 10 10 DGCE CC[C@@]1(C)CN(c2cc(Cl)c(OC)cc2OC)CCCN1 86287798 JRYSQPWVRWFFLW-INIZCTEOSA-N 312.841 3.326 10 10 DGCE COc1cccc(CN2CCC[C@H](c3nccs3)C2)c1O 92788819 UQIWHXFNXCPOCN-ZDUSSCGKSA-N 304.415 3.237 10 10 DGCE Cc1ccc(O)c(CN[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 382476852 JLECBFQNDYDIDW-HUUCEWRRSA-N 320.433 3.236 10 10 DGCE C[C@H](N[C@H]1CNCCC1(F)F)c1cccc(C(F)(F)F)c1O 817981058 PKFOQNNQCIKJRW-KWQFWETISA-N 324.293 3.059 10 10 DGCE CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CC12CC2 817548162 XLSGXUIOLHHBRK-LBPRGKRZSA-N 324.218 3.303 10 10 DGCE COC[C@H](NC/C=C\c1ccc(N(C)C)cc1)c1ccco1 835043596 SOOMPSADASYBSF-AATOQMJSSA-N 300.402 3.336 10 10 DGCE COCc1cc(CN2CCCc3cc(OC(F)F)ccc32)no1 839012099 XEOYUUOQPWGDBW-UHFFFAOYSA-N 324.327 3.375 10 10 DGCE Cc1noc([C@H]2CCCN2C/C=C\c2ccc(N(C)C)cc2)n1 835052920 IPMBFLWYSIOPJP-XQDHMALISA-N 312.417 3.294 10 10 DGCE Cc1cccc(CN[C@H]2c3sccc3OC(C)(C)[C@@H]2O)c1O 839171777 JXFIQCIJFJCJFL-XJKSGUPXSA-N 319.426 3.125 10 10 DGCE Nc1ccc(CC(=O)N2CCc3sc(Cl)cc3C2)cc1 843504715 QBMFNDDYFROULW-UHFFFAOYSA-N 306.818 3.111 10 10 DGCE COC[C@H](C)n1ccc(NCc2c(O)cc(C)cc2Cl)n1 840938037 CJNBZFBKFGNHFB-NSHDSACASA-N 309.797 3.370 10 10 DGCE COc1cc(Br)cc([C@@H](C)NCC(C)(F)F)c1O 848551166 FOUULVKRUNITCD-SSDOTTSWSA-N 324.165 3.469 10 10 DGCE COc1cccc([C@H](C)NCCC[C@H]2CCCC[C@@H]2O)c1O 846156913 PWPLGXOMKPXPPE-LZWOXQAQSA-N 307.434 3.383 10 10 DGCE CCc1cccc(CN[C@H]2CCN(C)[C@@H]2c2ccccc2)c1O 848898981 BMEOGAMQCPHCFG-RBUKOAKNSA-N 310.441 3.490 10 10 DGCE c1ccc(COc2ccc(N3CC[C@@H]4CNC[C@H]4C3)cc2)cc1 1899880589 ZMDQXPRBPUTRNT-MSOLQXFVSA-N 308.425 3.311 10 10 DGCE COC(=O)c1ccc(O)c([C@H](C)N[C@H](C)c2ccns2)c1 858577053 OIRPFNXGDPJSKS-VHSXEESVSA-N 306.387 3.047 10 10 DGCE CCC(CC)[C@@H](C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855233534 IFBSXNPLTQTJNP-GDBMZVCRSA-N 318.461 3.462 10 10 DGCE CC(C)(C)c1cc(O)c(O)c(CN2CCO[C@](C)(C3CC3)C2)c1 853528159 LYBUOOBFNBIICX-IBGZPJMESA-N 319.445 3.396 10 10 DGCE CC[C@H](N[C@@H]1CC=C(C(=O)OC)C1)c1ccc(N(C)C)cc1 858474234 XCPDBSDDFOPJCN-WBVHZDCISA-N 302.418 3.055 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@H](C2CCC2)C1 856171860 BBVBSVPJAZZOIW-VIHMKRCTSA-N 301.386 3.150 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCOC[C@H]1C 766392095 GPQYEXOPJCXXMW-CRAIPNDOSA-N 318.461 3.162 10 10 DGCE Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NC[C@]1(OC(C)C)CCOC1 1119606944 UXOKISUAXULVOH-ZRGWGRIASA-N 319.445 3.423 10 10 DGCE COc1ccc(N2CCCN(CC3CCSCC3)CC2)cc1 876631079 CTONLEWQWHWMPC-UHFFFAOYSA-N 320.502 3.351 10 10 DGCE CCN(CC)c1ccc(CNC(=O)c2ccc(F)c(O)c2)cc1 1136300235 JREKGPWAZQAJJZ-UHFFFAOYSA-N 316.376 3.308 10 10 DGCE CC1=C(C)CN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 897631871 HFAOUSDUEWOAPS-UHFFFAOYSA-N 303.383 3.495 10 10 DGCE CCCSCCNCc1cccc(Br)c1O 397356736 WJEHNZASKTZHPW-UHFFFAOYSA-N 304.253 3.388 10 10 DGCE O=C(NOC1CCCCC1)c1cc2cc(O)c(O)cc2s1 897455167 LXPPYFLCTFCLDH-UHFFFAOYSA-N 307.371 3.307 10 10 DGCE C[C@@H](NC(=O)Cn1ccc2ccc(F)cc21)c1ccccc1O 1151885789 HSAMHIZPMKUXIO-GFCCVEGCSA-N 312.344 3.363 10 10 DGCE Cc1ccccc1C1=CCN(C(=O)c2c(F)ccc(O)c2O)C1 1161056122 HMAFYRRFMMQFJA-UHFFFAOYSA-N 313.328 3.085 10 10 DGCE Cc1cc(Cl)cc(CN2CCO[C@](C)(C(F)F)C2)c1O 1327963673 LSFXGHRKELFMAT-AWEZNQCLSA-N 305.752 3.210 10 10 DGCE CCn1nc(C)c(CN(c2ccc(OC)cc2)[C@@H](C)C2CC2)n1 1324720036 HORVZTWTJLKXPP-AWEZNQCLSA-N 314.433 3.420 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)[C@@H]1CCC[C@H](F)C1 1348353610 GJJIUCCKFXPVEU-OCCSQVGLSA-N 302.349 3.085 10 10 DGCE CO[C@@H]1CCN(Cc2ccc(Br)cc2O)C1(C)C 1914335256 PGRXIROXYCDYAV-CYBMUJFWSA-N 314.223 3.154 10 10 DGCE O=C(O)C=Cc1ccc(N2CC[C@H]3C[C@@H]32)c(Br)c1 1912011696 RPNFKNYDZRQJED-GWCFXTLKSA-N 308.175 3.146 10 10 DGCE Cc1nc(Cl)nc(Cl)c1CCN1CCC[C@@H](N=[N+]=[N-])C1 1912149948 NLZCYAFIHBYNLE-SECBINFHSA-N 315.208 3.409 10 10 DGCE Cc1noc(C)c1NC(=O)c1cc2cc(O)c(O)cc2s1 1292167020 CSYQJNWLTFEBLX-UHFFFAOYSA-N 304.327 3.170 10 10 DGCE CN(C)c1ccc(CNC(=O)Cc2cccc3cnccc23)cc1 1531321411 QEBGGXYJWSMMFC-UHFFFAOYSA-N 319.408 3.160 10 10 DGCE COc1ccc(N(C)CCN(C)C[C@@H]2CC3(CCC3)CO2)cc1 1460335009 LPXORLUEISRJGZ-SFHVURJKSA-N 318.461 3.022 10 10 DGCE CN(C)[C@@H]1CCC[C@H]1NCc1cc(Cl)cc(Cl)c1O 1921758004 VIOVSEGWDLSYJQ-CHWSQXEVSA-N 303.233 3.271 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)c2c(Cl)ccnc2F)c1 1630373880 VHQZQJLSLRDWGC-QMMMGPOBSA-N 324.739 3.079 10 10 DGCE CC(=O)c1cncc(C(=O)NCc2c(O)ccc3ccccc23)c1 1635968778 ICCGXUVHBMSYNT-UHFFFAOYSA-N 320.348 3.073 10 10 DGCE COc1ccc(CNC2CC(N(C)C(=O)CC(C)C)C2)cc1C 1734589079 IPTJDEFMGDMFDD-UHFFFAOYSA-N 318.461 3.129 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccccc1-c1cc[nH]n1 1570864969 UUIPPZYUBTVMCM-VURMDHGXSA-N 321.336 3.140 10 10 DGCE CN(C)c1ccc(CN(CCc2ccns2)C2CC2)cc1 1657023443 CGYXTELNJDETTQ-UHFFFAOYSA-N 301.459 3.416 10 10 DGCE O=C(NC/C=C/c1ccccc1)NCc1c(O)cccc1F 1684421736 RLWMRTDOBNKCSQ-VMPITWQZSA-N 300.333 3.044 10 10 DGCE CC(C)(C)OC(=O)N1CC(N(CCCN=[N+]=[N-])CC2CC2)C1 1962305244 RLZBHIAJAOSEDD-UHFFFAOYSA-N 309.414 3.018 10 10 DGCE CN[C@H](c1ccccc1O)C1(NC(=O)OC(C)(C)C)CCCC1 1936979359 CBVCKPNISNCXTM-OAHLLOKOSA-N 320.433 3.490 10 10 DGCE CC(C)OC(=O)c1cccc(/N=N/N2C[C@H](C)O[C@@H](C)C2)c1 1860487285 YRQCUYGHNYNEMB-SBJXPDJQSA-N 305.378 3.360 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN1Cc1cnc(Br)s1 1984490034 NFAZBLJAMGHSSM-SSDOTTSWSA-N 302.201 3.180 10 10 DGCE CN[C@H](c1ccccc1O)[C@]12C[C@H](CN1C(=O)OC(C)(C)C)C2 1989662037 URCRBNBXABPVHG-DWQUBVKVSA-N 318.417 3.052 10 10 DGCE C[C@H](N)c1ccc(N2CC(CCF)C2)c(Br)c1 1996950605 MARJDWGMOPSTIO-VIFPVBQESA-N 301.203 3.265 10 10 DGCE CN(Cc1ccccc1)[C@H]1CCN(c2ccc3c(c2)CC[C@H]3O)C1 2012704681 FFJOEECDBJVBGK-PZJWPPBQSA-N 322.452 3.377 10 10 DGCE C[C@@H]1CCOC[C@@H]1N(C)Cc1cccc(Br)c1O 2035126442 SGYOCIPYCLVSRW-MFKMUULPSA-N 314.223 3.012 10 10 DGCE Nc1ccc(C[C@H](O)Cc2cc(Br)ccc2F)cc1 702787601 WJJLTSJKLZUWQF-AWEZNQCLSA-N 324.193 3.317 10 10 DGCE CO[C@H]1CC[C@H](C)N(Cc2cccc(Br)c2O)C1 687217327 RHTGBGQYNYEDIA-JQWIXIFHSA-N 314.223 3.154 10 10 DGCE NCc1ccc(N2CC[C@H]3CCC[C@@H]32)c(F)c1Br 386105649 SFSYRFDTGGOACF-KOLCDFICSA-N 313.214 3.426 10 10 DGCE Cc1ccc([C@H](C)n2nc(C3CC3)cc2C(=O)N(C)C)c(O)c1 2070086505 FBBWHCGNYFRUSN-LBPRGKRZSA-N 313.401 3.086 10 10 DGCE CCc1c(C)nn(Cc2cccc(F)c2O)c1Br 2080059524 BDWCBWKSDDOTDG-UHFFFAOYSA-N 313.170 3.409 10 10 DGCE C[C@H](N)c1cc(F)c(N(CC(F)F)CC(F)F)c(F)c1 2194696162 AYZDAHJUBAQHEF-LURJTMIESA-N 300.246 3.321 10 10 DGCE CNCc1ccc(N2CCC[C@H]2[C@H](C)F)cc1Br 2060892135 AVZDWGUPCHZLEH-HZMBPMFUSA-N 315.230 3.495 10 10 DGCE CCCN(Cc1ccc(N)cc1)c1ncc(Br)cn1 104382382 QBELPIAQDXTAGB-UHFFFAOYSA-N 321.222 3.238 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1CN(CCCCN=[N+]=[N-])C2 2210740339 MHNSOYIFAJTCAH-RDBSUJKOSA-N 323.441 3.312 10 10 DGCE COc1ccc(OCCNCc2cnc(SC)s2)cc1 2208427735 LQRWTWQZWTWXRX-UHFFFAOYSA-N 310.444 3.042 10 10 DGCE Nc1ccc(NCCc2ccc(O)c(O)c2)cc1Br 2229391465 NDANRLAGZGNDFD-UHFFFAOYSA-N 323.190 3.097 10 10 DGCE CSc1ncc(CNC2=NC[C@H](C(C)C)CS2)s1 2257025196 CUTSKZGIHVIADL-VIFPVBQESA-N 301.506 3.330 10 10 DGCE COc1ccc(O)c(CNc2cnccc2Br)c1 2264142761 CMECHTAFFBVAST-UHFFFAOYSA-N 309.163 3.170 10 10 DGCE CSc1ncc(CN=c2[nH]c3cc(N)ccc3s2)s1 2269279677 RJJYWICFBQZTNX-UHFFFAOYSA-N 308.457 3.091 10 10 DGCE Cc1csc(=NCc2ccc(C)c(Br)c2O)[nH]1 2307569362 FHILJVWKMGAGFY-UHFFFAOYSA-N 313.220 3.262 10 10 DGCE CCN(CCN=[N+]=[N-])C(=O)Cc1ccccc1Br 2315989669 SMAMRKKYVMUZMU-UHFFFAOYSA-N 311.183 3.150 10 10 DGCE COc1ccc(C=C2C(=O)N(Cc3ccccc3)N=C2C)cc1O 2332100129 OEGCKZOYQZUEED-UHFFFAOYSA-N 322.364 3.203 10 10 DGCE Cc1ccc(CN[C@H]2[C@H]3[C@H]4C[C@@H]2C[C@H]43)c(O)c1Br 2327798797 MODFDVLJAGNCTC-GHMOJZLGSA-N 308.219 3.207 10 10 DGCE CO[C@@H]1CCN(Cc2ccc(C)c(Br)c2O)[C@H]1C 2327793119 SEQFXNPRIPUEAT-CMPLNLGQSA-N 314.223 3.072 10 10 DGCE CN(C(=O)OC(C)(C)C)C1CCN(c2ccc(N)cc2)CC1 114174421 RYZWEYRCZZEMTI-UHFFFAOYSA-N 305.422 3.105 10 10 DGCE Cc1cc(C(=O)O[C@H](C)[C@H]2CCOC2)c(C)n1-c1ccccn1 175253181 PRTUOXLVSPGQMJ-CABCVRRESA-N 314.385 3.071 10 10 DGCE COc1ccc(CN2CCO[C@@H](c3ccc(F)cc3)C2)c(O)c1 179430331 OUCPROJUVCRJIB-GOSISDBHSA-N 317.360 3.113 10 10 DGCE CC(C)(C)OC(=O)N1CCCCC(=O)[C@H]1c1cc(N)ccc1O 1952995135 GEBMELCYEMYBJU-OAHLLOKOSA-N 320.389 3.006 10 10 DGCE Cc1cnn(CCN[C@H](C)c2ccc(Br)cc2O)c1 185843709 WPWCIINUVFQKBM-LLVKDONJSA-N 324.222 3.010 10 10 DGCE O=C(O)c1ccccc1/N=N\c1c(C(=O)O)nc2ccccn12 71581158 BWTCEDBVXFOXCW-ZCXUNETKSA-N 310.269 3.146 10 10 DGCE CN(C)c1ccc(CN[C@H]2CCOC3(CCCC3)C2)cc1F 136715341 IWTRRDDNDNYEND-HNNXBMFYSA-N 306.425 3.473 10 10 DGCE CNCc1ccc(N(C)[C@@H]2CCSC2)cc1Br 234414103 WIPFAABAUXXEFF-GFCCVEGCSA-N 315.280 3.110 10 10 DGCE CC[C@@](C)(NC(=O)c1cc(C)n(-c2ccccc2)c1C)C(=O)O 262430773 OGPZLVFDJVEONJ-GOSISDBHSA-N 314.385 3.077 10 10 DGCE Cc1nn(C)c(Cn2ccc3cc(N)ccc32)c1Br 89233640 VUCBQZHIXBSFQD-UHFFFAOYSA-N 319.206 3.076 10 10 DGCE C[C@]1(CCCO)CCCN1Cc1cc(Cl)c(F)cc1O 293958921 PRRHVMRGKBOQIT-OAHLLOKOSA-N 301.789 3.312 10 10 DGCE O=C1CCC(C(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 813684771 WSGOPFNUXDFLPT-UHFFFAOYSA-N 316.184 3.075 10 10 DGCE Cc1[nH]c2ccc(CNC(=O)NCc3ccccc3O)cc2c1C 726245502 KJGZZZSYPOETEA-UHFFFAOYSA-N 323.396 3.490 10 10 DGCE CCc1cccc(CN[C@H]2CCC[C@@H]2Cc2cnn(C)c2)c1O 827319226 AZSXDYXHQLVDQF-AEFFLSMTSA-N 313.445 3.189 10 10 DGCE Cc1ccc(OCCn2ccc(-c3cccnc3)cc2=O)cc1 821185480 LRZCENZVCAMSOZ-UHFFFAOYSA-N 306.365 3.298 10 10 DGCE COC1(C(F)(F)F)CN(c2ccc([C@H](C)N)cc2Cl)C1 724167766 AMROQZOLVWCESP-QMMMGPOBSA-N 308.731 3.127 10 10 DGCE COCc1c(C)cc(C)c(/C=C2/SC(=S)NC2=O)c1C 901415840 ALKBKZFJGAQYMY-AWNIVKPZSA-N 307.440 3.247 10 10 DGCE CCOC1(C(=O)NCc2ccc(N(CC)CC)c(F)c2)CCC1 826942680 RXHJHXASBHOWLL-UHFFFAOYSA-N 322.424 3.247 10 10 DGCE CC(C)Oc1ccc(N(C)C(=O)/C=C\c2cncc(O)c2)cc1 588591780 CWZHFBHUHCYAEW-WTKPLQERSA-N 312.369 3.251 10 10 DGCE CC[C@H](N[C@H]1CCCN2CCSC[C@H]12)c1ccc(F)cc1O 903271660 JZSGKFFHLVYRCR-HRCADAONSA-N 324.465 3.152 10 10 DGCE CN(C)c1ccc(/C=C\CNCc2ccc3cnn(C)c3c2)cc1 835055869 ONDLSVGJHDDAFK-PLNGDYQASA-N 320.440 3.442 10 10 DGCE CCN1Cc2cccc(NC(=O)/C=C\c3ccc(O)c(O)c3)c2C1 588407196 FSSVYNBJWXDGKZ-CLFYSBASSA-N 324.380 3.085 10 10 DGCE CCCN(CCO)c1ccc(CNCC)cc1C(F)(F)F 163688558 UCQXOKZFYFWKAP-UHFFFAOYSA-N 304.356 3.024 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@@H](C)c3nccs3)C2)cc1 850489259 SFYUASBAFQTKKX-QWHCGFSZSA-N 303.431 3.081 10 10 DGCE COc1ccc(N2CC[C@@H](NC3Cc4ccccc4C3)C2)cc1 850487112 GBWVDTPEGWESHW-QGZVFWFLSA-N 308.425 3.031 10 10 DGCE COCC1(CNCc2cc(OC)cc(C(C)(C)C)c2O)CC1 850338452 HWIHNINDEKNHCI-UHFFFAOYSA-N 307.434 3.215 10 10 DGCE Cc1nc(C2CC2)oc1C(=O)NCCCSc1nccs1 759849060 NYGRLSGAGBOWBD-UHFFFAOYSA-N 323.443 3.229 10 10 DGCE COc1ccc(N2CC[C@@H](Nc3noc(C(C)(C)C)n3)C2)cc1 853758894 MFMGNLWYKOMTRU-GFCCVEGCSA-N 316.405 3.067 10 10 DGCE CCn1cnc2c(N[C@H](C)c3ccccc3O)nc(Cl)nc21 866239167 SMBAEWBHXRCBAG-SECBINFHSA-N 317.780 3.378 10 10 DGCE C[C@@H](O)c1ccc(N2CCO[C@](C)(C(F)F)C2)c(Cl)c1 698735556 LSTXQDKLSDYPOO-OTYXRUKQSA-N 305.752 3.254 10 10 DGCE C[C@H](N[C@H](C1CCC1)[C@H]1CCCO1)c1cc([N+](=O)[O-])ccc1O 866491479 RWRQYOXYVRRDJA-YMRXKLBXSA-N 320.389 3.299 10 10 DGCE CCCN(c1ccc(CN)cc1)C1CCN(CC2CC2)CC1 775139583 DAXKOKJFIHQHCR-UHFFFAOYSA-N 301.478 3.236 10 10 DGCE CC[C@@H](N)CN1CC2(CCCCC2)Nc2cc(OC)ccc21 76931081 MZHSLZYVMZCLJI-CQSZACIVSA-N 303.450 3.367 10 10 DGCE CCOCCN(CC)Cc1cc(C)cc(Br)c1O 781899072 GBYPUEFHPZDUTH-UHFFFAOYSA-N 316.239 3.322 10 10 DGCE CCSCCCNC(=O)c1cc2cc(O)c(O)cc2s1 897669331 QZUWDRCROVCWRO-UHFFFAOYSA-N 311.428 3.186 10 10 DGCE CC[C@H](C)n1ncc(C(=O)N(C)Cc2ccccc2O)c1C 790772470 MBQLGFQBGCZMTB-LBPRGKRZSA-N 301.390 3.140 10 10 DGCE [N-]=[N+]=N[C@@H]1CCN(C(=O)Nc2ccc(Br)cc2)C1 1912153668 CVVSMEYITOPSOJ-SNVBAGLBSA-N 310.155 3.366 10 10 DGCE CCC/C=C\[C@@H](O)C(=O)N(CCCC)Cc1ccccc1O 1297004923 DJCITHJRAOMKEV-UUKWBXHYSA-N 305.418 3.238 10 10 DGCE O=C(c1ncccc1-c1ccccn1)N1Cc2cccc(O)c2C1 1455036669 IGHVNSVBWOUMBD-UHFFFAOYSA-N 317.348 3.005 10 10 DGCE CCOc1ccc(C(=O)NCc2ccc3cccnc3c2O)cc1 1469247591 CNZSBXXXHQXVEH-UHFFFAOYSA-N 322.364 3.269 10 10 DGCE C[C@@H](NC(=O)c1cccc2cc(O)ncc12)c1ccccc1O 1471195695 LODLHKUBMSCAHC-LLVKDONJSA-N 308.337 3.137 10 10 DGCE CN(C)c1ccc(CN2CCC[C@@H]2[C@@H](O)c2ccccc2)cc1 1620481895 UZNKASBQMADKHY-UXHICEINSA-N 310.441 3.451 10 10 DGCE C/C=C(/C)C(=O)N(C)C1CC(NCc2ccc(OC)c(C)c2)C1 1486459080 JPFJCXLAZCWTDG-MLPAPPSSSA-N 316.445 3.049 10 10 DGCE CCC[C@@H](CCO)NC(=O)c1sccc1-n1c(C)ccc1C 1632111110 QWWPTKQKVWMEOF-AWEZNQCLSA-N 320.458 3.437 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CC(F)(F)C2)c1 1632661091 SSRIXGBWFKUKFY-UHFFFAOYSA-N 304.340 3.494 10 10 DGCE COc1cc(CN2CCO[C@H](c3ccsc3)C2)c(O)cc1C 160396457 YNHNJVKOFDYMER-KRWDZBQOSA-N 319.426 3.344 10 10 DGCE CCN[C@@H](c1ccccc1O)C1(CNC(=O)OC(C)(C)C)CC1 1936972095 ZZUFRWINFSNLNG-HNNXBMFYSA-N 320.433 3.348 10 10 DGCE CSC(C)(C)CN[C@@H](C)c1ccc(N2CCOCC2)cc1 154207256 YQWKTFMGUMKDAY-AWEZNQCLSA-N 308.491 3.315 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@]2(Nc2ccc(N)cc2)C1 1977685836 WFNAOBLNUSGCCA-SCLBCKFNSA-N 317.433 3.470 10 10 DGCE CN(Cc1ccc(N)cc1)C[C@H]1CCCN1C(=O)OC(C)(C)C 1977921398 UQDRDKGBUOWIKJ-MRXNPFEDSA-N 319.449 3.100 10 10 DGCE Cc1sc2nc(CSc3nccs3)nc(NN)c2c1C 51151102 OOBROUNMVWVRLL-UHFFFAOYSA-N 323.472 3.343 10 10 DGCE CN[C@H](C)c1ccc(N2C[C@H]3C[C@H]2CN3Cc2ccccc2)cc1 310392375 GMFARZOLVPUYGT-HBGVWJBISA-N 321.468 3.430 10 10 DGCE C[C@H]1CCCC[C@@H]1S(=O)(=O)Nc1ccc(O)cc1Cl 407435121 RFAAHKIPZOHFBK-ZANVPECISA-N 303.811 3.366 10 10 DGCE CN[C@H](C)c1ccc(N2CC[C@H](F)C2)c(Br)c1 689845991 CRZZXKFJQFEWEP-KOLCDFICSA-N 301.203 3.278 10 10 DGCE COCC(C)(C)CCNCc1ccc(Br)cc1O 718771625 DETALDSAXPCCGN-UHFFFAOYSA-N 316.239 3.307 10 10 DGCE CO[C@H]1CC[C@@H]1N(C)c1ccc([C@@H](C)N)cc1Br 724221011 GFMXUIWQHVDEEC-IIMNLJJBSA-N 313.239 3.082 10 10 DGCE CCNC(=O)c1cc(C(C)C)nn1Cc1c(O)cccc1Cl 2070171976 MONIABVJHKQQSB-UHFFFAOYSA-N 321.808 3.164 10 10 DGCE Cc1cc(O)c([C@@H](C)n2ncc(CN)c2Br)cc1C 2070332795 GKARWLIOHKZHDT-SNVBAGLBSA-N 324.222 3.036 10 10 DGCE CCC[C@H]1CCOCCN1c1cc(Cl)c(CN)cc1F 2177390627 ZDSTYEMIICLZSP-LBPRGKRZSA-N 300.805 3.333 10 10 DGCE C[C@H](O)c1ccc(N2C[C@@H]3C[C@@H]3[C@H]3C[C@H]32)cc1Br 2053728617 AIXKTMRTEGKNPP-WLGFQKAXSA-N 308.219 3.347 10 10 DGCE Oc1ccc(Br)cc1CNc1ccc2ccnn2c1 2271507206 UYGIKQFHAQLKNE-UHFFFAOYSA-N 318.174 3.415 10 10 DGCE C[C@@](NCCCN=[N+]=[N-])(C(=O)O)c1ccc(Cl)c(F)c1 2235859042 NPQCHKYEIGGYIW-LBPRGKRZSA-N 300.721 3.069 10 10 DGCE Cc1ccc(C(=O)O)cc1N=Nc1c(C(=O)O)nc2ccccn12 2320767794 NRUZKNGKMQZELW-UHFFFAOYSA-N 324.296 3.455 10 10 DGCE O=C(O)[C@@]1(Sc2nccs2)CS[C@H](C(F)(F)F)C1 2327014115 MUIZRMOXRCLVTB-XNCJUZBTSA-N 315.363 3.126 10 10 DGCE Cc1ccc(CN[C@H](C)c2ccn(C)n2)c(O)c1Br 2352678557 FIHYYHXMNNRRNA-SNVBAGLBSA-N 324.222 3.047 10 10 DGCE CCc1cccc(NS(=O)(=O)c2cccc3nsnc23)c1 212972 LVJMBBZAIRFPOK-UHFFFAOYSA-N 319.411 3.055 10 10 DGCE CC[C@@H]1CN(c2ccc(CN)c(Br)c2)CCS1 228155828 CRAGLLZZHQFZDR-GFCCVEGCSA-N 315.280 3.240 10 10 DGCE CCCN(Cc1cccc(Br)c1O)[C@H]1CCOC1 311132317 JNQNSKSEKAQJKJ-LBPRGKRZSA-N 314.223 3.156 10 10 DGCE c1ccc(CN2CCN(c3ccc(CNC4CC4)cc3)CC2)cc1 301136172 DARYCDVKPUMTEA-UHFFFAOYSA-N 321.468 3.261 10 10 DGCE c1cc(N2CCCC2)ccc1CNC[C@@H]1CC[C@H](C2CC2)O1 1355362029 IFOBRMQTVAKSHM-RBUKOAKNSA-N 300.446 3.334 10 10 DGCE Cc1ccccc1-n1c(C)cc(C(=O)N[C@H]2CCC[C@@H]2O)c1C 178604054 PHHTYPPUOJQJIV-WMZOPIPTSA-N 312.413 3.046 10 10 DGCE CC(C)(C)OC(=O)N[C@H](c1c(N)cccc1O)C(F)(F)F 1953067155 BGXDYYWHDAGCIE-SNVBAGLBSA-N 306.284 3.103 10 10 DGCE C[C@@H](NC1CCSCC1)c1ccc(N2CCC(O)CC2)cc1 180507971 CFQQRXKAUJNFRW-CQSZACIVSA-N 320.502 3.194 10 10 DGCE C[C@H]1COCCN1CCSc1ncc(C(C)(C)C)s1 188325154 OVUNVZBPVXCIFL-NSHDSACASA-N 300.493 3.253 10 10 DGCE CN[C@H](C)c1ccc(N(CCO)Cc2ccccc2)c(F)c1 381808326 GSDNDBXDNQWJSX-CQSZACIVSA-N 302.393 3.105 10 10 DGCE O=S(=O)(CC1CCCCC1)Nc1ccc(O)c(Cl)c1 85204610 VORAQEPIKQVPKT-UHFFFAOYSA-N 303.811 3.368 10 10 DGCE CN(C)c1ccc(CN[C@H]2CCOC3(CCSCC3)C2)cc1 269355001 SYMLHIWJSLMCII-INIZCTEOSA-N 320.502 3.287 10 10 DGCE C[C@@H](F)CCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 815148795 KOMXINJXMKJVRA-CYBMUJFWSA-N 309.385 3.423 10 10 DGCE Oc1cc2c(cc1CN[C@H]1CCCc3c(F)cccc31)OCO2 824469014 UXCVUEGEZKXOHI-HNNXBMFYSA-N 315.344 3.427 10 10 DGCE CC(=O)NCCCCCOc1ccc2c(c1)c(C)c(C)n2C 902445550 PAPCXNOLLIJJEF-UHFFFAOYSA-N 302.418 3.480 10 10 DGCE CCSCC[C@@H](C)N(C)C(=O)/C=C\c1ccc(O)c(O)c1 588405828 UXCVMRNBWXAHNZ-XYLWRLHESA-N 309.431 3.101 10 10 DGCE CC[C@H](N[C@H]1CCCN2CCSC[C@H]12)c1ccc(C)cc1O 903269683 AZEHAWCAFPAVOR-YESZJQIVSA-N 320.502 3.321 10 10 DGCE COC[C@](C)(O)CCN[C@H](C)c1ccc(N2CCCCC2)cc1 834843752 KGWAXMWHEPOOON-VQIMIIECSA-N 320.477 3.115 10 10 DGCE Cc1cc(O)c(CN2CCCC[C@H]2C2OCCO2)c(Cl)c1 840916457 VENHPVHARXQIOT-AWEZNQCLSA-N 311.809 3.081 10 10 DGCE CC(C)[C@H](NCc1ccc2c(c1)CCO2)C1(CO)CC=CC1 843432405 DCNFDTHMZLXYLK-SFHVURJKSA-N 301.430 3.064 10 10 DGCE COc1cc(Cl)cc(CN2CCCC[C@@H]2[C@H]2CCNC2)c1O 841086224 GCUMAVLJSYCPOA-SWLSCSKDSA-N 324.852 3.018 10 10 DGCE CO[C@@](C)(CO)CN[C@@H](C)c1ccc(N2CCCCCC2)cc1 848560153 ZEJMOOOCXGBSQH-QFBILLFUSA-N 320.477 3.115 10 10 DGCE CC(C)[C@H]1N(C(=O)/C=C\c2ccc(O)c(O)c2)CC12CC=CC2 844094867 DHWPXMLTSHTROC-XOWYPZSQSA-N 313.397 3.314 10 10 DGCE COc1cc(Cl)cc(CNCCCN(C)CC(C)C)c1O 845997118 UWFSMNCAFFRAPL-UHFFFAOYSA-N 314.857 3.122 10 10 DGCE CN(C)c1ccc(CNC(=O)N[C@H](c2cccnc2)C2CC2)cc1 758552997 BOLUFNLTAQUWNO-SFHVURJKSA-N 324.428 3.098 10 10 DGCE CCCN(C(=O)c1ccnc2c1CC(=O)N2)c1ccc(CC)cc1 854825093 YMIYYPDTHGWFHU-UHFFFAOYSA-N 323.396 3.195 10 10 DGCE Cc1ccsc1[C@@H](CO)N[C@@H](C)c1cc(F)cc(F)c1O 756735693 GYTCIEMOMLXBQD-TVQRCGJNSA-N 313.369 3.425 10 10 DGCE c1csc(SCCCN[C@H](C2CCC2)[C@H]2CCOC2)n1 925104391 YLNDYRIKHCBPMX-UONOGXRCSA-N 312.504 3.420 10 10 DGCE C[C@H](N[C@@H]1CCCOC1)c1cc(Br)c(F)cc1O 756554728 JACHUVCVQJAORZ-DTWKUNHWSA-N 318.186 3.123 10 10 DGCE COc1ccc(N2CC[C@H](N[C@@H]3C[C@@H](N)c4ccccc43)C2)cc1 854217189 KKDCPIPQSGMKDN-VHKYSDTDSA-N 323.440 3.008 10 10 DGCE CC[C@@H](NCC(C)(C)C(=O)N1CCCC1)c1ccc(C)cc1O 858541121 SSLZATJSQCPCCU-MRXNPFEDSA-N 318.461 3.390 10 10 DGCE CN(C)c1ccc(Cn2ccnc2Cc2cccc(N)c2)cc1 82734884 XXMLJDRKURNOJM-UHFFFAOYSA-N 306.413 3.170 10 10 DGCE C[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)c1ncccc1F 791308257 SLCGAQOPTQIOAW-CYBMUJFWSA-N 315.392 3.049 10 10 DGCE C[C@@H](O)c1ccc(N2CC3(CN(Cc4ccccc4)C3)C2)cc1 706218700 PYWPUCXWNXIHJC-MRXNPFEDSA-N 308.425 3.062 10 10 DGCE COCC1(N(C)c2ccc([C@H](C)O)c(Br)c2)CC1 706383970 DKSKJSCJPXMRSN-JTQLQIEISA-N 314.223 3.118 10 10 DGCE Cc1ccc(O)c(CNC(=O)Cc2ccccc2OC(F)F)c1 1147957693 VCNGUJYIAQZNEP-UHFFFAOYSA-N 321.323 3.161 10 10 DGCE CCCCc1ccc(CC(=O)NCc2c(O)cccc2O)cc1 1304050028 GWBCCVFAPYKTNV-UHFFFAOYSA-N 313.397 3.299 10 10 DGCE Cc1ccc(CC(C)(C)NC(=O)c2ccc(C)c(O)c2O)cc1 1162235406 DOHJBGGFABKPJK-UHFFFAOYSA-N 313.397 3.466 10 10 DGCE CCOc1ccc(N(CC(=O)NCC(C)(C)C)CC2CC2)cc1 1175371183 CJFWPIWFFILRPI-UHFFFAOYSA-N 318.461 3.464 10 10 DGCE CC(C)(C)OC(=O)N[C@H](CN=[N+]=[N-])COCc1ccccc1 207737468 GUNIDPYOECZUPN-CYBMUJFWSA-N 306.366 3.407 10 10 DGCE Cn1cnc(/C=C/C(=O)N(Cc2cscn2)c2ccccc2)c1 1265128822 RLVAYVLWYHHCJD-BQYQJAHWSA-N 324.409 3.123 10 10 DGCE CC(C)c1nnc(N(C)Cc2ccccc2O)n1[C@H]1C[C@H]1C 1508915375 LNHBPDGHXWOMFL-OCCSQVGLSA-N 300.406 3.324 10 10 DGCE CN(CCCN=[N+]=[N-])C(=O)c1ccc(F)cc1Br 1912168960 YFNYLGKUGMKSTM-UHFFFAOYSA-N 315.146 3.361 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N(Cc2ccccn2)C2CC2)cc1 1290242650 ZDYMNKPNWQIRGA-UHFFFAOYSA-N 323.356 3.049 10 10 DGCE COc1cccc(NC(=O)c2ccc(N=NC(N)=O)cc2)c1F 1296798070 URYYVEVFTUUKTP-UHFFFAOYSA-N 316.292 3.249 10 10 DGCE COCCn1c(C)c(C)c2cc(C(=O)NCC(C)(C)F)ccc21 1534465212 WJXLPEGNSILFHX-UHFFFAOYSA-N 320.408 3.382 10 10 DGCE C[C@@H](CC(=O)NCc1c(O)cccc1F)c1ccccc1F 1471974629 IHMQQDLTKUJEJQ-NSHDSACASA-N 305.324 3.480 10 10 DGCE C[C@H](NC(=O)NCc1c(O)cccc1F)c1cccc(F)c1F 1478254590 OIVYUBNGJKJPMR-VIFPVBQESA-N 324.302 3.370 10 10 DGCE Cc1cnc([C@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)s1 1621756227 OEOWGOUZDPMAMR-VIFPVBQESA-N 317.374 3.105 10 10 DGCE CCOc1ccc(N2CCN(C[C@H]3CC(C)(C)CO3)CC2)cc1 1559666920 DRQUYMKIKSBAMY-GOSISDBHSA-N 318.461 3.022 10 10 DGCE C[C@H](NC(=O)c1ncc2cc(Cl)ccn12)c1ccccc1O 1557968288 FWQUTGFSXAHXKK-JTQLQIEISA-N 315.760 3.184 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(-c2ccon2)cc1 1639068970 HJJQQWSJPJFMHV-WAPJZHGLSA-N 322.320 3.405 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@H]1C=CCC1 1636267982 XBQVIHXAPLDFIF-HOTGVXAUSA-N 315.461 3.257 10 10 DGCE Cc1ccc(O)c(CN=c2c([N+](=O)[O-])c[nH]c3ccccc23)c1 1640177754 HMSRJIZTQYGHOB-UHFFFAOYSA-N 309.325 3.191 10 10 DGCE C[C@H](CC(=O)NCc1cc(O)ccc1O)c1ccc(F)cc1 1593873282 NLKWDFCPCFZIDW-LLVKDONJSA-N 303.333 3.047 10 10 DGCE C[C@@H]1C[C@H]([C@H](N)c2ccccc2O)CCN1C(=O)OC(C)(C)C 1936977540 WMETYRUZNLGRJC-IOASZLSFSA-N 320.433 3.428 10 10 DGCE Nc1ccc(CN(c2nnc(C(F)(F)F)s2)C2CC2)cc1 160398413 HOQJROPEZZSQDP-UHFFFAOYSA-N 314.336 3.308 10 10 DGCE c1ccc(CN2CCN(/N=N/c3ccc4c(c3)OCO4)CC2)cc1 1860481695 OIHUDFCANYLGOJ-FMQUCBEESA-N 324.384 3.232 10 10 DGCE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1cccnc1 1889885245 IOLOXGXNECVTRT-YJBOKZPZSA-N 307.397 3.000 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(N)cc1)C2 1896803574 APPAWAGRADHMDY-BJJXKVORSA-N 317.433 3.151 10 10 DGCE COCCNCc1ccc(N2CCS[C@H](C)C2)c(Cl)c1 137247205 YKHUEKZTWDYNMC-GFCCVEGCSA-N 314.882 3.018 10 10 DGCE CC(C)(C)OC(=O)Nc1cc([N+](=O)[O-])ccc1[C@H](CO)N=[N+]=[N-] 1951355137 XFLLWKYFGIIUBM-NSHDSACASA-N 323.309 3.286 10 10 DGCE CC(C)(C)OC(=O)N1CC(=O)C[C@@H]1c1cccc(Cl)c1O 1951966410 HIBCTXDXQMRLGC-GFCCVEGCSA-N 311.765 3.297 10 10 DGCE CC(C)(C)[C@H](CO)CNCc1cc(Cl)cc(Cl)c1O 1965905800 DDCGSDOTSIBHHD-JTQLQIEISA-N 306.233 3.443 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@](C)(CNCc2ccc(N)cc2)C1 1976953794 UVRHYPXQQSRMGA-SFHVURJKSA-N 319.449 3.006 10 10 DGCE CN1CCCc2cc([C@@](C)(N)COCc3ccccc3)ccc21 1977933600 FTWQZKGUGGIQBY-FQEVSTJZSA-N 310.441 3.460 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)NCCCOCc2ccccc2)C1 1981603250 QASDEGSMOMKIHI-OAHLLOKOSA-N 317.393 3.078 10 10 DGCE CN[C@@H](C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1O 1985527834 SLMBSGNSLBLNMY-GUTXKFCHSA-N 320.433 3.346 10 10 DGCE Cc1sc(Br)nc1CN1CCC[C@@H](N=[N+]=[N-])C1 2004968891 FHUPQBJPOQFZIM-MRVPVSSYSA-N 316.228 3.489 10 10 DGCE CC1(C)CC[C@H](CNCc2cccc(Br)c2O)O1 189728273 RULPSZVBYOGNOO-LLVKDONJSA-N 314.223 3.202 10 10 DGCE Oc1ccccc1CN[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]21 310158075 QPXSRDCGLBYWIO-VAMGGRTRSA-N 322.452 3.392 10 10 DGCE O=C1N=C(N2CCCCC2)SC1=Cc1ccc(F)c(F)c1 2042913950 MSPXAAHPDKYPBC-UHFFFAOYSA-N 308.353 3.421 10 10 DGCE CCN[C@H](C)c1ccc(N2CCO[C@@H](CF)C2)cc1Cl 2172041662 OQZZDDCVFAAJGO-YPMHNXCESA-N 300.805 3.185 10 10 DGCE CN(c1ccc(CN)cc1C(F)(F)F)[C@H]1CCCSC1 821897355 ZAPBDDVKHPAVSV-NSHDSACASA-N 304.381 3.496 10 10 DGCE CC[C@](C)(CN(C)c1ccc(CO)cc1Br)OC 2066262624 JCUBSPLYVNQVAI-CQSZACIVSA-N 316.239 3.193 10 10 DGCE CN(Cc1ccccc1O)c1ccc(N)cc1Br 2072450649 NFHRZCFQMSLQNW-UHFFFAOYSA-N 307.191 3.373 10 10 DGCE COc1cccc(O)c1CNc1ccc(Br)nc1C 2104443002 SNEZTVVXHLGKJV-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)c1ncc(Cl)cc1Cl 2107115087 VUVJFVHUOSCBFE-MRVPVSSYSA-N 300.149 3.303 10 10 DGCE OCc1ccc(N2Cc3ncsc3C2)c(C(F)(F)F)c1 2201390694 CLTKNOJYEXYBCD-UHFFFAOYSA-N 300.305 3.174 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@@H]1NC(=O)c1cc(Br)cs1 2213593988 ZTEWNRQPXQCAPP-YUMQZZPRSA-N 315.196 3.472 10 10 DGCE CC[C@H](NCc1c(Br)ccc(OC)c1O)C1CC1 2220462248 IWIKXWMENPRFIC-LBPRGKRZSA-N 314.223 3.442 10 10 DGCE CC[C@H](C)NCc1cnc(SCCCC(=O)OC)s1 2231621034 FARYOUWZLJXKLL-JTQLQIEISA-N 302.465 3.077 10 10 DGCE CSc1ncc(CNCC[C@]2(CN)C[C@H]3CC[C@H]2C3)s1 2284708914 CORKYWOXVTZNPA-SLEUVZQESA-N 311.520 3.110 10 10 DGCE Cc1cc(O)c([C@@H](C)N(C)[C@H]2COCC2(F)F)cc1Cl 2286444721 OZJURGNQOCRAIV-RNCFNFMXSA-N 305.752 3.381 10 10 DGCE Cc1ccc(CNC2(C)CC(F)C2)c(O)c1Br 2307479633 KQXMBPBCKOXWIB-UHFFFAOYSA-N 302.187 3.443 10 10 DGCE CCS[C@@H]1CCCCN(C(=O)C=Cc2ccc(O)c(O)c2)C1 2307987087 CGRREVOVBLBQOI-CQSZACIVSA-N 321.442 3.245 10 10 DGCE CC(C)(NC(=O)C=Cc1ccc(O)c(O)c1)c1cccc(F)c1 2307987790 LNZOBSFTIBXHTG-UHFFFAOYSA-N 315.344 3.302 10 10 DGCE C[C@@H](O)CCCN(C)c1ccc([C@@H](C)N)cc1Br 2314472070 PSIJRXWFLYBDFH-GHMZBOCLSA-N 315.255 3.066 10 10 DGCE Cc1ccc(CO)c(Oc2ccc(N)cn2)c1Br 2327559128 JMRLKPQJWXXWMN-UHFFFAOYSA-N 309.163 3.019 10 10 DGCE Cc1ccc(CN(C)Cc2cnoc2)c(O)c1Br 2327792315 IJMMOLVMMNQFBC-UHFFFAOYSA-N 311.179 3.083 10 10 DGCE CC(C)(C)OC(=O)NC[C@H](N)c1cc(C(C)(C)C)ccc1O 309812535 NEQWCPOBPDMGDL-ZDUSSCGKSA-N 308.422 3.214 10 10 DGCE CC(C)(C)OC(=O)NC[C@H](COc1ccc(N)cc1)C1CC1 1952672315 ZQWHPQWVLSLQCW-CYBMUJFWSA-N 306.406 3.199 10 10 DGCE Cc1ccc(O)c(CNCc2ncc(-c3ccccc3)cn2)c1 185865623 GRVSTENWZADONP-UHFFFAOYSA-N 305.381 3.447 10 10 DGCE COc1cc(Cl)cc(CNC2(CO)CCC(C)CC2)c1O 228677585 NJFRXFOOQCQVIV-UHFFFAOYSA-N 313.825 3.085 10 10 DGCE COc1cccc(C(=O)N2CCc3cc(N4CCCC4)ccc32)c1 41121284 KIRRAJNPOSBGMD-UHFFFAOYSA-N 322.408 3.498 10 10 DGCE CC1=NN(c2ccccc2C)C(=O)/C1=C/c1ccc(C(=O)O)cc1 97499262 NAMJGCLDZVXKDB-LFIBNONCSA-N 320.348 3.499 10 10 DGCE CC[C@@H]1COCCN1c1ccc([C@H](C)N)c(Br)c1 233916928 NADJOVHPEGIWRY-WDEREUQCSA-N 313.239 3.084 10 10 DGCE CC(=O)N(C(=O)Oc1ccc(F)c(F)c1)c1ccc(N)cc1 242880810 GLRCDNWGYJFSGJ-UHFFFAOYSA-N 306.268 3.099 10 10 DGCE CC(=O)N(C(=O)CCc1ccc(Cl)cc1)c1ccc(N)cc1 243192475 KAMOSRWDEPSRHR-UHFFFAOYSA-N 316.788 3.435 10 10 DGCE C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@H]1N(C)C 251840279 QJNMIAZIBFQRNK-TVQRCGJNSA-N 303.233 3.081 10 10 DGCE CC[C@@H](NCc1ccc(CO)c(F)c1)c1ccc(F)cc1O 286244189 UBWMGWWXKYMALF-MRXNPFEDSA-N 307.340 3.404 10 10 DGCE CCn1ccnc1CN[C@@H](C)c1ccc(Br)cc1O 296546466 RGINVLARSVIZFS-JTQLQIEISA-N 324.222 3.222 10 10 DGCE COc1cc(Cl)c(C)cc1NC(=O)c1cc(O)c(O)c(O)c1 586738570 RTGGFJSNJXSTSO-UHFFFAOYSA-N 323.732 3.026 10 10 DGCE O=C(COC(=O)c1cccc2ccccc12)c1ccc(O)c(O)c1 916589923 IOIGWINHYTYEIV-UHFFFAOYSA-N 322.316 3.291 10 10 DGCE Cc1cc(Cl)cc(CN2CCCC[C@H]2[C@H]2CCNC2)c1O 841086263 GWMRLOOMHJDTEW-BBRMVZONSA-N 308.853 3.318 10 10 DGCE CCc1cccc(NC(=S)NCc2nccc(OC)c2F)c1 849296905 LPNAVIPBVPPEPL-UHFFFAOYSA-N 319.405 3.278 10 10 DGCE N[C@@H]1CC[C@H]2CN(c3ccc(OCc4ccccc4)cc3)C[C@@H]12 1899859919 LPKBSKIUYLSANN-PWIZWCRZSA-N 308.425 3.439 10 10 DGCE C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)C1CCC(F)CC1 852633557 SXGNHUZCHLESGW-IUDNXUCKSA-N 321.440 3.469 10 10 DGCE CC[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855224311 FGXXPOGZQCDWGM-RKVPGOIHSA-N 316.445 3.216 10 10 DGCE CC[C@@H]1CCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C1 756135127 VZVYLGJLGADULP-SMYYYNMVSA-N 304.346 3.017 10 10 DGCE CC[C@H](C)n1ncc(NC(=O)N2Cc3cccc(O)c3C2)c1C 931069219 CSTQKRHATNRLEA-NSHDSACASA-N 314.389 3.416 10 10 DGCE Cc1cc(CC(=O)O)c(C)n1-c1cccc(Br)c1 57652875 PVEMCQQSASDXBG-UHFFFAOYSA-N 308.175 3.484 10 10 DGCE COCCc1ccccc1NC(=O)N1Cc2cccc(O)c2C1 931030724 GYIKGJRWZBYJDD-UHFFFAOYSA-N 312.369 3.129 10 10 DGCE C[C@H](NC[C@@H]1C[C@@H]1C)c1ccc(N2CCOCC2)cc1Cl 765338074 USHYQCCZQLIYQO-IHRRRGAJSA-N 308.853 3.483 10 10 DGCE C[C@@H]1O[C@H](C)CN(Cc2c(O)cccc2Br)[C@H]1C 862337553 WYVPKAQWTFZCIK-VWYCJHECSA-N 314.223 3.152 10 10 DGCE CN(Cc1cc(F)ccc1O)[C@H]1CCN(Cc2ccccc2)C1 778996708 XSIZJXOWALBNIZ-SFHVURJKSA-N 314.404 3.238 10 10 DGCE COc1ccc(O)c(CN(C)[C@H](C)[C@@H]2Cc3ccccc3O2)c1 775740562 OBKGHFFBPHAGCQ-YJYMSZOUSA-N 313.397 3.225 10 10 DGCE CNCc1ccc(N2CCN(Cc3ccccc3)[C@H](C)C2)cc1C 396354341 RAFMRZBKQZEKEG-GOSISDBHSA-N 323.484 3.425 10 10 DGCE CC(C)c1cnc(CN(C)c2ccc(OCCN(C)C)cc2)[nH]1 894461147 AUJIIZIKSJLKPV-UHFFFAOYSA-N 316.449 3.110 10 10 DGCE CO[C@@]1(C(F)(F)F)CCN(Cc2cccc(Cl)c2O)C1 895577451 KUNSPZMDWKCSDN-LBPRGKRZSA-N 309.715 3.199 10 10 DGCE C[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)c1ncccc1F 791308258 SLCGAQOPTQIOAW-ZDUSSCGKSA-N 315.392 3.049 10 10 DGCE FC(F)Oc1ccc(N2CCC[C@@H](NCC3(F)CC3)C2)cc1 792999457 DFDBPCZGZKXVMN-GFCCVEGCSA-N 314.351 3.349 10 10 DGCE COc1ccc(O)c(CNC(=O)C23CC(c4ccccc4)(C2)C3)c1 790787840 OMCHJKFTSKMTGF-UHFFFAOYSA-N 323.392 3.139 10 10 DGCE Nc1ccc(CC[C@H](O)c2sncc2Br)cc1 712117299 ZDEQPESSQMZAEW-NSHDSACASA-N 313.220 3.154 10 10 DGCE Cc1cc(C)cc(C[C@@H](C)NC(=O)c2ccc(C)c(O)c2O)c1 1148218194 VUHHOOUWLDINQO-CQSZACIVSA-N 313.397 3.384 10 10 DGCE Oc1ccc(Br)cc1CNCCCOC1CCC1 717325239 RTZYXHLRXYBTRJ-UHFFFAOYSA-N 314.223 3.204 10 10 DGCE Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)CO2 1149786322 YQHJCUKKWMOVEB-AWEZNQCLSA-N 324.340 3.021 10 10 DGCE CC[C@@H](C)C(=O)NC1CC(CNCc2ccc(OC)c(C)c2)C1 1275204029 CWPLRKREZMEROE-NVPAJSRCSA-N 318.461 3.034 10 10 DGCE CCOc1cc(CNC[C@@H]2CCCO2)ccc1N(CC)CC 211969952 LJXJLTKAUXCHTC-INIZCTEOSA-N 306.450 3.200 10 10 DGCE Cn1cc(/C=C\C(=O)N2CCCc3ccc(F)c(Cl)c32)cn1 1530376947 DUTOTDUPVLUHAS-DAXSKMNVSA-N 319.767 3.205 10 10 DGCE C/C(=C\c1cccnc1)C(=O)N1CCOc2c1ccc(F)c2F 1536464308 DUEHGDOUMYSPSE-PKNBQFBNSA-N 316.307 3.189 10 10 DGCE Cc1cc(CN2CC[C@H](O)[C@H]3CCCC[C@H]32)ccc1N(C)C 1473737493 KRYFRZGGVIJHGU-UHOSZYNNSA-N 302.462 3.186 10 10 DGCE Cc1cc(Br)ncc1NC(=O)c1cc(O)cs1 1618680133 UOMPSOJBKKLNMV-UHFFFAOYSA-N 313.176 3.172 10 10 DGCE Nc1ccc(OCCC(=O)NCc2csc(Cl)c2)cc1 1924619951 NAABUALWGITAQX-UHFFFAOYSA-N 310.806 3.069 10 10 DGCE CC(C)Oc1cccnc1C(=O)NCc1cccc(Cl)c1O 1637226975 HMRDWGSTBKYAQJ-UHFFFAOYSA-N 320.776 3.158 10 10 DGCE CCC(=CC(=O)N[C@@H](C)CNCc1ccc(OC)c(C)c1)CC 1569052456 UDQSBQHKRAVTSY-HNNXBMFYSA-N 318.461 3.344 10 10 DGCE C[C@@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1O 1635793769 HOIHHOKADJKKJO-SECBINFHSA-N 320.732 3.445 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C)c2ncc[nH]2)cc1 1648807211 ZNMUWTALGOWXFU-AWEZNQCLSA-N 308.385 3.308 10 10 DGCE CCO[C@H](C(=O)NCc1c(O)ccc2ccccc12)C(C)C 1647791149 LSCRZPHXFDLZRD-KRWDZBQOSA-N 301.386 3.223 10 10 DGCE Cc1cccc(O)c1C(=O)NCc1c(O)ccc2ccccc12 1652709228 WNWDTSCSRCYQSX-UHFFFAOYSA-N 307.349 3.489 10 10 DGCE CC[C@@H](Cc1ccccc1C)C(=O)NCc1cc(O)ccc1O 1651225724 WFMKEDQSHGZXCL-AWEZNQCLSA-N 313.397 3.291 10 10 DGCE CC[C@@H](CNCc1ccccc1O)CNC(=O)OC(C)(C)C 1931103034 YJXVYUKTZHBRQP-ZDUSSCGKSA-N 308.422 3.033 10 10 DGCE C[C@H]1CCCN(CCCN=[N+]=[N-])[C@@H]1CNC(=O)OC(C)(C)C 1962287849 NVYPVLWQYGAPTP-QWHCGFSZSA-N 311.430 3.312 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CN(CCCN=[N+]=[N-])C2(CCC2)C1 1962303941 KJMBIVUUSCVUDL-GFCCVEGCSA-N 309.414 3.209 10 10 DGCE CC(C)Cc1nnc(N(C)Cc2ccccc2O)n1[C@@H]1C[C@@H]1C 1692079815 FZBZRZDRLKAYDN-DZGCQCFKSA-N 314.433 3.400 10 10 DGCE CCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2)SC1=S 16904489 GDAXGXHCMXFGGY-ZGSOTFDTSA-N 321.423 3.141 10 10 DGCE CC(C)CNCc1ccc(N2CCCC[C@@H]2CO)c(Cl)c1 163970727 PIIAUYFTQBNFCE-OAHLLOKOSA-N 310.869 3.437 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)[C@@H](C)C1CCOCC1 156837321 VNQBANLQMOFKKF-AWEZNQCLSA-N 305.418 3.194 10 10 DGCE CN[C@@H](CN(CC1CC1)C(=O)OC(C)(C)C)c1ccccc1O 1936971018 RFUKEXDFYLZUEE-HNNXBMFYSA-N 320.433 3.300 10 10 DGCE Nc1cccc(C(=O)O)c1N[C@H]1CC[C@H]1OCc1ccccc1 1939578447 MSTCVVANUNQUOZ-JKSUJKDBSA-N 312.369 3.127 10 10 DGCE CCN(C(=O)CCNCc1cc(C)ccc1O)c1ccccc1 1857853811 DQUATNWVLGGNGV-UHFFFAOYSA-N 312.413 3.233 10 10 DGCE CCSC1CN(c2ccc([C@@H](C)O)cc2Br)C1 1948318053 MRGPTROESOEBIM-SECBINFHSA-N 316.264 3.444 10 10 DGCE CC(F)(F)C1(NCc2cccc(Br)c2O)CC1 1948707820 BCOMUJFHBGMWRZ-UHFFFAOYSA-N 306.150 3.432 10 10 DGCE CCC(C)(C)NCc1c(Br)ccc(OC)c1O 1964535732 KOLQGHZOFGDALC-UHFFFAOYSA-N 302.212 3.442 10 10 DGCE CC1(C)CCN(Cc2c(O)cccc2Br)CCO1 1967850607 VZNCVBPQKOIKCM-UHFFFAOYSA-N 314.223 3.156 10 10 DGCE Cc1cccc(N)c1N[C@@H]1C[C@H]2[C@H]1CCN2C(=O)OC(C)(C)C 1977665174 VAPFMUPVXQITNC-CFVMTHIKSA-N 317.433 3.387 10 10 DGCE CC(C)(C)OC(=O)N[C@]1(C)CCCN(Cc2ccc(N)cc2)C1 1977917279 BYJBSHXSVQRISK-GOSISDBHSA-N 319.449 3.148 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccccc2N)[C@H]2CC[C@H]21 1983875602 YRGJULCLGXZLQL-IVMMDQJWSA-N 317.433 3.469 10 10 DGCE C[C@H](N[C@H]1CC[C@H]1NC(=O)OC(C)(C)C)c1ccc(F)cc1O 1986714317 ZBVUTSLAWGBEAM-LEWSCRJBSA-N 324.396 3.238 10 10 DGCE CC(C)[C@@H]1C[C@@]1(NC(=O)OC(C)(C)C)[C@@H](N)c1ccccc1O 1992236479 ZFGPZQHFPVBEIK-YEWWUXTCSA-N 320.433 3.331 10 10 DGCE Cc1csc(C)c1S(=O)(=O)N1CCC[C@H](N=[N+]=[N-])CC1 2155557137 UUCSQMFBOVHQDO-NSHDSACASA-N 314.436 3.218 10 10 DGCE CC(C)(C)NCc1cnc(Sc2ncc3n2CCC3)s1 2176930928 PAQJKUADWSHPCF-UHFFFAOYSA-N 308.476 3.325 10 10 DGCE CN[C@@H]1CCN(Cc2ccccc2)[C@@]1(C)c1ccc(N(C)C)cc1 712092925 VTZLIWLJFCQDJZ-RTWAWAEBSA-N 323.484 3.462 10 10 DGCE Oc1c(F)cccc1CNCc1sncc1Br 722765951 QOHZUGSXBDVWJR-UHFFFAOYSA-N 317.183 3.040 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@@H]3C[C@@H]3[C@H]3C[C@H]32)cc1Br 2053728610 AIXKTMRTEGKNPP-DEEIYTSESA-N 308.219 3.347 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@@H](F)C[C@H](F)C2)c(Br)c1 2062397894 XYKBFMPIHOTFET-MIMYLULJSA-N 319.193 3.355 10 10 DGCE C[C@H]1CC[C@@H](CN(C)Cc2cc(Br)ccc2O)O1 2075379704 BTTBUXCGQZJJHO-GWCFXTLKSA-N 314.223 3.154 10 10 DGCE CO[C@H]1C[C@H](C)CN(Cc2ccc(Br)cc2O)C1 2085081258 OSRSGRJCYJNPRW-GWCFXTLKSA-N 314.223 3.012 10 10 DGCE CC1(C)[C@H](CN)CCN1Cc1cc(Cl)cc(Cl)c1O 2106892729 JZVUQIACYIMWHY-JTQLQIEISA-N 303.233 3.258 10 10 DGCE Cc1cc2c(n1-c1ncc(Br)cc1F)CCC[C@H]2N 2268333619 OZHVQIWRBCKNKZ-GFCCVEGCSA-N 324.197 3.418 10 10 DGCE CSc1ncc(CNc2nccc(C(F)(F)F)n2)s1 2269192013 AHKGGQAPDBIEJE-UHFFFAOYSA-N 306.338 3.286 10 10 DGCE COc1ccc(O)c(CNC(=O)C(C)=Cc2ccc(C)cc2)c1 2307787431 MBKBYAWHWBYEMG-UHFFFAOYSA-N 311.381 3.429 10 10 DGCE Cc1ccc(CN2CC=C[C@@H]2CF)c(O)c1Br 2307565490 OEGHERZFJCKMSF-LLVKDONJSA-N 300.171 3.173 10 10 DGCE C[C@H](O)CCCN(C)c1ccc([C@@H](C)N)c(Br)c1 2314472474 RLPQJGUWFLNRQX-WDEREUQCSA-N 315.255 3.066 10 10 DGCE COc1cc(N2C(=O)CSC2=S)cc(C(F)(F)F)c1 1045310 AWVLWTZMRHRQSY-UHFFFAOYSA-N 307.318 3.079 10 10 DGCE CCCCN(CCO)c1c(F)cc(CNCCC)cc1F 62712616 MDYGCKNPLPVBIQ-UHFFFAOYSA-N 300.393 3.063 10 10 DGCE Oc1ccc(F)cc1CN1CCC(Nc2nccs2)CC1 189960491 NOYMXEYMZFJZDB-UHFFFAOYSA-N 307.394 3.064 10 10 DGCE CC(C)(C)[C@H]1CN(c2ccc(OC(F)(F)F)cc2)CCN1 86122617 VYYQMUMGFRUNEK-CYBMUJFWSA-N 302.340 3.410 10 10 DGCE Cc1cnc(Br)c(NCc2cccc(O)c2O)c1 380902548 OLZZCNZKZCHZAA-UHFFFAOYSA-N 309.163 3.176 10 10 DGCE C[C@]1(C(=O)O)CCCN1Cc1cc(Cl)cc(Cl)c1O 86816781 OVRYGCXFJZXQIC-CYBMUJFWSA-N 304.173 3.138 10 10 DGCE COc1cc(Cl)cc(CNC[C@@]2(O)CCC[C@@H](C)C2)c1O 228674383 RZCVLIWOENHOLT-BDJLRTHQSA-N 313.825 3.085 10 10 DGCE C[C@@H](N)c1ccc(N2CCCSCC2)cc1Br 235215005 WYNQPIGDTYJBAC-SNVBAGLBSA-N 315.280 3.412 10 10 DGCE COc1ccc(C[C@H](C)NCc2cccc(OC)c2O)cc1 289181685 AORHUJSYNMAYDZ-ZDUSSCGKSA-N 301.386 3.130 10 10 DGCE COc1ccc(N2CC[C@H](CNC(=O)CCCC(C)C)C2)cc1 819591733 WBTJGMXQJAHYCO-MRXNPFEDSA-N 318.461 3.464 10 10 DGCE CC(C)(C)N1CC[C@H]1CNCc1cc(Cl)cc(F)c1O 826791202 TWXHBIUJRVOVPQ-LBPRGKRZSA-N 300.805 3.147 10 10 DGCE CCOc1cccc(CN2CC(COC)(C3CCC3)C2)c1O 827010878 AHIJBTIBDOKPGY-UHFFFAOYSA-N 305.418 3.039 10 10 DGCE COCc1c(C)cc(C)c(/C=C2\SC(=S)NC2=O)c1C 901415841 ALKBKZFJGAQYMY-MLPAPPSSSA-N 307.440 3.247 10 10 DGCE COc1cc(Cl)cc(CN2C[C@H](C)OCC23CCC3)c1O 846067664 VWYFLEMEYYINRT-NSHDSACASA-N 311.809 3.198 10 10 DGCE CCN(CC)c1ccc(CN2CCNC[C@H]2c2cccnc2)cc1 843117852 UYEPNBRYMBLWKI-FQEVSTJZSA-N 324.472 3.074 10 10 DGCE COc1cccc(O)c1CNCC[C@H]1CCc2ccccc2N1 844904289 GVOVLUZLVDWFQX-OAHLLOKOSA-N 312.413 3.307 10 10 DGCE CC[C@@H](NCc1cc(Cl)cc(OC)c1O)[C@H]1CCCCO1 848928018 UETBHCFYEKCMMF-ZIAGYGMSSA-N 313.825 3.492 10 10 DGCE CN(Cc1ccccc1O)C(=O)NC[C@H]1CCCC2(CCC2)O1 927156086 MVROWOUYWQLFIS-OAHLLOKOSA-N 318.417 3.025 10 10 DGCE C[C@H](N[C@@H]1CNC[C@H]1C)c1ccc(N2CCCCC2)c(F)c1 925786392 OGNIZPRDQNGEEO-JKIFEVAISA-N 305.441 3.075 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)CC2CCC2)c1 868983469 DXFRVSJITLUVRW-NWDGAFQWSA-N 306.406 3.340 10 10 DGCE COc1cc(C)cc(CN[C@@H](C2CCOCC2)C2CC2)c1O 1119512187 MXCFQDAXZGMAGZ-QGZVFWFLSA-N 305.418 3.004 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@@H]2Nc1ccccc1N 1959362829 HSOHWPVSQVTCEG-XUJVJEKNSA-N 303.406 3.079 10 10 DGCE C[C@@H](CN(C)C(=O)OC(C)(C)C)N[C@@H](C)c1ccc(O)cc1O 706533701 AODNMMJIOUVEII-RYUDHWBXSA-N 324.421 3.004 10 10 DGCE C[C@@H](O)c1ccc(N2CC(C(F)F)C2)c(Br)c1 706503369 FSBKUYYMCVVABP-SSDOTTSWSA-N 306.150 3.204 10 10 DGCE CC(C)[C@H]1CC[C@H]1NCc1ccc(N2CCOCC2)c(F)c1 796696541 TYMIGOURVOSYIN-NVXWUHKLSA-N 306.425 3.187 10 10 DGCE Cc1cc(O)nc2ccc(NC(=O)c3cc(O)cs3)cc12 1148140941 YKTCIJJRERPMQJ-UHFFFAOYSA-N 300.339 3.268 10 10 DGCE CO[C@]1(C)C[C@H](NCc2cc(F)cc(C(C)=O)c2O)C1(C)C 1170386298 NDGBCNBLAOQZRF-WMLDXEAASA-N 309.381 3.027 10 10 DGCE COc1cc(C)cc(C(=O)NCc2ccc(N(C)C)cc2)c1C 1351265437 DVRXQLOMDFYTHQ-UHFFFAOYSA-N 312.413 3.308 10 10 DGCE C[C@@H](O)c1ccc(N2CC3(C2)CC3(F)F)cc1Br 1914922989 WKPLGPFBUPSBJV-MRVPVSSYSA-N 318.161 3.348 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1C[C@@H](O)C1(C)C 1448027984 NRELICAQZBMGBS-UONOGXRCSA-N 318.442 3.045 10 10 DGCE Nc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)CC(=O)CC4)cc1 212483062 NGXDKAXXEKAKPW-UHFFFAOYSA-N 319.364 3.060 10 10 DGCE Oc1c(CNc2ncnc3ccccc23)ccc2cccnc12 1559217134 ZCDHSKYOXZDXAB-UHFFFAOYSA-N 302.337 3.496 10 10 DGCE C[C@H](NC(=O)c1ccc(OC(F)F)cc1)c1ccccc1O 1635799098 OUPRXOQZXJVYJQ-JTQLQIEISA-N 307.296 3.485 10 10 DGCE COc1ccc(CN[C@H]2C[C@H](CNC(=O)CC(C)C)C2)cc1C 1565858946 VJZBSHNHGKMNOS-QAQDUYKDSA-N 318.461 3.034 10 10 DGCE CCCN(Cc1ccccc1F)C(=O)Cc1ccc(O)c(O)c1 1640574171 UFUMGEHELASXGJ-UHFFFAOYSA-N 317.360 3.218 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cccc(O)c1 1587547891 UXYYFIOIVBBKIJ-UHFFFAOYSA-N 310.397 3.265 10 10 DGCE C[C@H](C(=O)NCc1cc(O)ccc1O)c1cc2ccccc2o1 1651225313 FHVMZAZQYDUOGM-NSHDSACASA-N 311.337 3.264 10 10 DGCE CC(C)(C)OC(=O)NCCN(CCCCN=[N+]=[N-])CC(F)F 1962298935 JMLKXIKVUMQZPR-UHFFFAOYSA-N 321.372 3.169 10 10 DGCE Cc1nnc(N(C)CC2CC2)n1CCCSc1nccs1 1693462354 DPJSZTZOLPTUBA-UHFFFAOYSA-N 323.491 3.072 10 10 DGCE CC(C)[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)C1CC1 165197360 HPYHCZJXKJGJCV-GOSISDBHSA-N 306.425 3.187 10 10 DGCE CCCC1=NN(c2ccccn2)C(=O)/C1=C/c1ccc(O)c(O)c1 1865650137 XLSSUKVFIAKBRK-JLHYYAGUSA-N 323.352 3.079 10 10 DGCE CCCC1=NN(CCC)C(=O)/C1=C/c1ccc2c(c1)OCCO2 1865671462 CIXNKGUWOHLTDW-SDNWHVSQSA-N 314.385 3.250 10 10 DGCE c1cc2c(cc1CN[C@@H]1CCCC3(CC1)OCCO3)CCCO2 1965996069 KIUQFJZYIXVXOW-QGZVFWFLSA-N 317.429 3.177 10 10 DGCE CCC[C@@H](CNC(=O)OC(C)(C)C)NCc1c(C)cccc1O 1976875981 RPKIVUAPCMRTEY-AWEZNQCLSA-N 322.449 3.484 10 10 DGCE CNCc1ccc(N2CC[C@@H]2C(F)F)cc1Br 2004453120 CZXBFPDDILSZIT-LLVKDONJSA-N 305.166 3.012 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN1Cc1cnc(Br)s1 1984490035 NFAZBLJAMGHSSM-ZETCQYMHSA-N 302.201 3.180 10 10 DGCE Cc1cccc(CN[C@@H]2CC[C@@H]2CNC(=O)OC(C)(C)C)c1O 1986710863 YRVXFBLZHJHQHJ-UKRRQHHQSA-N 320.433 3.094 10 10 DGCE CN(CC(C)(C)F)c1ccc(CN)c(Br)c1F 2001374022 YXROKVBKNBMYNL-UHFFFAOYSA-N 307.182 3.231 10 10 DGCE Cc1ccc(CNCc2csnc2Br)c(O)c1 2024810102 ACOQZIJZIQKWBX-UHFFFAOYSA-N 313.220 3.209 10 10 DGCE COC[C@@H](CNCc1cc(Br)ccc1O)C(C)C 2027326391 AOSZHYDDLBGCQR-GFCCVEGCSA-N 316.239 3.163 10 10 DGCE C[C@H]1CN(Cc2c(O)cccc2Br)[C@H](C)CCO1 2031608013 QUOPFOOPBGFFFU-MNOVXSKESA-N 314.223 3.154 10 10 DGCE C[C@@H]1CN(CCc2ccc(N)cc2)CCN(Cc2ccccc2)C1 323962629 UGFFUZJIDWQYJN-GOSISDBHSA-N 323.484 3.265 10 10 DGCE C[C@@H](N)c1ccc(N2CCS[C@H]3COCC[C@@H]32)c(Cl)c1 2170487710 SCLHNDVWFUFKTP-ONERCXAPSA-N 312.866 3.070 10 10 DGCE CCN(C(=O)c1coc(Br)c1)c1ccc(N)cc1 385986694 PBOULNUFSNTLLM-UHFFFAOYSA-N 309.163 3.291 10 10 DGCE CCOC(=O)C1(C(=O)CSc2nccs2)CCCCC1 2199710203 WFGMKJZSDJMZOS-UHFFFAOYSA-N 313.444 3.318 10 10 DGCE CCNCc1ccc(N2C[C@H]3C[C@H]2[C@@H]2C[C@H]32)c(Br)c1 2103270547 JBPUXCZDSHIQKX-JXFSHQFZSA-N 321.262 3.403 10 10 DGCE C[C@]1(Br)CN(c2ccc(CO)cc2F)C[C@@]1(C)F 2084854203 AECRUCUENIWIBN-QWHCGFSZSA-N 320.177 3.020 10 10 DGCE C[C@@H](O)c1ccc(N2CCn3cccc3C2)c(Br)c1 2114548503 ASPFGDJIYKADSH-LLVKDONJSA-N 321.218 3.324 10 10 DGCE COc1ccc(Br)c(CNC[C@@H]2CC2(C)C)c1O 2220462047 GCPXQITZFFHUBG-VIFPVBQESA-N 314.223 3.299 10 10 DGCE CN(c1ccc(CO)cc1Br)[C@H]1CC2C[C@@H]3C1[C@@H]3C2 2264479193 TZRJAQQTGHIQAQ-MAHHRDCOSA-N 322.246 3.422 10 10 DGCE CCCOc1ncnc(NCc2cnc(SC)s2)c1C 2284493457 AXDZXPIDKNZWOP-UHFFFAOYSA-N 310.448 3.364 10 10 DGCE CCOc1ccc(C=CC(=O)N(C)Cc2ccccc2O)cc1 2299692418 OMUMVLJDGSEFQF-UHFFFAOYSA-N 311.381 3.463 10 10 DGCE [N-]=[N+]=NCCCS(=O)(=O)Cc1cccc(Br)c1 2302464889 RONFAYHBMIQMJH-UHFFFAOYSA-N 318.196 3.064 10 10 DGCE Cc1ccc(CNOC2CCCC2)c(O)c1Br 2307474475 LRKVDIVVAYGSTA-UHFFFAOYSA-N 300.196 3.427 10 10 DGCE CC[C@H]1CCCCN1N=Nc1ccc2c(c1)OCC(=O)N2C 2330245954 XLIQDYDEPZASRG-ZDUSSCGKSA-N 302.378 3.305 10 10 DGCE COc1cc(OC)c(NCc2ccc(O)c(O)c2)cc1Cl 20545931 QJZFXEINXUHQAR-UHFFFAOYSA-N 309.749 3.381 10 10 DGCE COCCNCc1cc(F)c(N(C)[C@H](C)C(C)C)c(F)c1 62736021 KRFOVZSXXOMODG-GFCCVEGCSA-N 300.393 3.182 10 10 DGCE Cc1cc(CN2[C@H]3CC[C@H]2CC(O)C3)c(O)c(C(C)(C)C)c1 172906033 PCRVUYBNHZFMQJ-GJZGRUSLSA-N 303.446 3.486 10 10 DGCE CC(C)(C)OC(=O)CCNCc1c(O)ccc2ccccc12 174432892 JJXRHYGTHPKQFU-UHFFFAOYSA-N 301.386 3.367 10 10 DGCE C[C@H](Nc1ccc2oc(=O)n(C)c2c1)c1ccc(F)cc1O 186438732 WPUTUVVXUGEPRJ-VIFPVBQESA-N 302.305 3.149 10 10 DGCE Cc1ccc(/C=C2\C(=O)N(c3ccccc3C)C(=O)N=C2O)o1 33314784 SYXFWQUCIZYPHM-LCYFTJDESA-N 310.309 3.403 10 10 DGCE CC[C@@H]1SCCS[C@@H]1c1noc(-c2cccc(O)c2O)n1 126889114 PDRXJLVQIJAFAN-JQWIXIFHSA-N 324.427 3.448 10 10 DGCE Cc1scc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1C 186423868 XSAAOQRSHRYFCY-VIFPVBQESA-N 305.399 3.137 10 10 DGCE CSc1ccccc1NC(=O)CCOc1ccc(N)cc1 40311225 PDSPJVDUHQYLIN-UHFFFAOYSA-N 302.399 3.398 10 10 DGCE CCN[C@@H](c1ccccc1O)C1CC(NC(=O)OC(C)(C)C)C1 1936987392 RMXXGGSOUWAMBJ-SEEARECTSA-N 320.433 3.346 10 10 DGCE COc1ccc([C@@H]2CCN(Cc3ccc(OC)cc3O)C2)cc1 92783652 UYWZYDAGYJEYHQ-OAHLLOKOSA-N 313.397 3.399 10 10 DGCE COc1ccc(OC)c([C@H](C)NCc2cccc(OC)c2O)c1 237274798 MPOJRJRZLCHGBB-LBPRGKRZSA-N 317.385 3.269 10 10 DGCE Cc1ccc(N(C)C(=O)/C=C\c2cnn(C)c2C)cc1Cl 255208177 OEBYELVAKLKOMY-VURMDHGXSA-N 303.793 3.367 10 10 DGCE COc1cc(Cl)cc(CNC2CC(N3CCCCC3)C2)c1O 370129826 FJEWIXKKXUCEFW-UHFFFAOYSA-N 324.852 3.161 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)N[C@H]1CSC1(C)C 283102293 ZZHISHJAQHJYCD-AWEZNQCLSA-N 308.447 3.208 10 10 DGCE O=C(CCC1CCC1)NCc1cc(Br)ccc1O 804737920 VICSYYKNSLURKJ-UHFFFAOYSA-N 312.207 3.351 10 10 DGCE COc1nn(C)cc1N[C@@H](C)c1cccc(C(F)(F)F)c1O 815619033 AIKXVJYCBSYWQD-QMMMGPOBSA-N 315.295 3.326 10 10 DGCE C[C@@H](CC(=O)NCc1ccc(N2CCCC2)cc1)n1cccc1 729288532 UHUMNIQYQQHQKK-INIZCTEOSA-N 311.429 3.356 10 10 DGCE Oc1ccc(Cl)cc1CN1C[C@]23CCCC[C@@]2(COC3)C1 827849640 GMLXELDRUHZYTM-IRXDYDNUSA-N 307.821 3.438 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](C)Cc1ccco1 827956096 NZMQNENWFRFMJH-AWEZNQCLSA-N 300.402 3.149 10 10 DGCE Cc1cccnc1/C=C\C(=O)NCc1ccc(N2CCCC2)cc1 588454812 SHWSPDJDIYLCJZ-KHPPLWFESA-N 321.424 3.320 10 10 DGCE CC[C@H](NC/C=C\c1ccc(N(C)C)cc1)[C@@H](O)C(F)(F)F 835042044 QJTPLVSVVJDIEX-RWCKICOTSA-N 316.367 3.057 10 10 DGCE COc1ccc2c(c1)CCN2Cc1ccc(Br)cn1 738309654 PIKXXTDVHPMBDP-UHFFFAOYSA-N 319.202 3.415 10 10 DGCE CCN(C[C@H](O)c1ccc(C)cc1)C(=O)Nc1ccc(N)cc1 841298621 CDBXRGLLWIFHOO-KRWDZBQOSA-N 313.401 3.165 10 10 DGCE Cc1cccc(CNC[C@@H]2CN(C)C[C@H]2c2ccccc2)c1O 843429577 GYMVRJBPDJQXIW-MOPGFXCFSA-N 310.441 3.136 10 10 DGCE CCN1C[C@H](CN(C)c2ccc(-c3nccs3)cc2)OC1=O 846996392 RLIYGQNTWHPONI-AWEZNQCLSA-N 317.414 3.087 10 10 DGCE CC[C@H]1C[C@H](CN(C)CCN(C)c2ccc(OC)cc2)CCO1 846051290 FGAGJWARPXPFMS-AEFFLSMTSA-N 320.477 3.268 10 10 DGCE CCOc1ccc(O)c(CN(C)C(C)(C)CN2CCCC2)c1 841893076 DOHSEGNNRQSEJK-UHFFFAOYSA-N 306.450 3.097 10 10 DGCE COc1ccc2c(c1)N(C(=O)/C=C\c1cncc(C)c1)CCC2 856076959 LXAFYBLSEUHBNZ-YVMONPNESA-N 308.381 3.391 10 10 DGCE Cc1cc(CNC(=O)N[C@@H]2CC23CC3)c(C)n1-c1ccccc1 858554607 PQCBRATVLALQRX-QGZVFWFLSA-N 309.413 3.446 10 10 DGCE CCN(C)c1ccc([C@@H](C)N[C@H](COC)C2CCOCC2)cc1 850491538 FAFBHTSFWOHMSQ-DNVCBOLYSA-N 320.477 3.235 10 10 DGCE CC[C@@H](N[C@@H]1Cc2ccccc2N(C)C1=O)c1ccccc1O 850502421 WCHIOVIJVMMJHY-HZPDHXFCSA-N 310.397 3.021 10 10 DGCE CN(C)c1cc(F)c(CN[C@H](C2CCC2)[C@H]2CCOC2)cc1F 864053444 KQFSYKHWRJZIEW-SCLBCKFNSA-N 324.415 3.326 10 10 DGCE CC(C)c1cc(CNC(=O)N[C@@H](C)c2ccccc2O)on1 868256785 PVSRQXRRQHXCML-NSHDSACASA-N 303.362 3.064 10 10 DGCE COC[C@@]1(C)CN(Cc2cc(C)cc(C(C)(C)C)c2O)CCO1 863339334 BPIIQIOPTFCWNE-LJQANCHMSA-N 321.461 3.235 10 10 DGCE CCOc1ccc(NC(=O)NCc2cc(C)ccc2O)nc1C 861217442 YAJVSAHRVWXEGK-UHFFFAOYSA-N 315.373 3.124 10 10 DGCE CO[C@@H](C)c1nc(C)c(C(=O)NCc2cc(C)ccc2O)s1 862758473 ZVYPZKHKBUTSQJ-NSHDSACASA-N 320.414 3.103 10 10 DGCE Cc1cc(O)c(CNC[C@@H]2CC[C@]3(CO[C@H](C)[C@H]3C)O2)cc1C 886338255 IXRFSYWWYUQZMS-IIHSZXCVSA-N 319.445 3.071 10 10 DGCE O=C(N[C@@H]1CCc2cc(Cl)ccc21)c1c(F)ccc(O)c1O 789963618 MVGOQUXEFKOGTQ-GFCCVEGCSA-N 321.735 3.308 10 10 DGCE COc1cc(C)cc(CNC[C@H]2CCC3(CCC3)CO2)c1O 895807210 QEGAMHBIGGMFTF-OAHLLOKOSA-N 305.418 3.148 10 10 DGCE Nc1ccc(O)c(CN2CCc3ccc(Br)cc32)c1 713348465 IINQRURJCCESPR-UHFFFAOYSA-N 319.202 3.300 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1cnc2cnccc2c1 798977195 GWUJQZKVCXRPCE-UHFFFAOYSA-N 321.380 3.388 10 10 DGCE O=C(NCc1c(O)cccc1F)c1ccccc1-n1cccc1 1156178022 SGVPUHMFHSCKAO-UHFFFAOYSA-N 310.328 3.252 10 10 DGCE COc1ccc(N(Cc2nnn(C(C)(C)C)n2)CC(C)C)cc1 1171276101 GUYWHRUHNRWSDB-UHFFFAOYSA-N 317.437 3.099 10 10 DGCE COc1cccc(Br)c1[C@@H](N)c1ccccc1O 1913189232 YNXXULPZXVXKAQ-AWEZNQCLSA-N 308.175 3.211 10 10 DGCE CN(Cc1ccccc1O)C(=O)c1cc(F)cc(Cl)c1N 1294678727 NFHQUORCFVSTNA-UHFFFAOYSA-N 308.740 3.039 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@]1(C)C=CCC1 1529277410 GNTYAJZVIPFPJS-BEFAXECRSA-N 300.446 3.465 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C\C=C(Cl)Cl 1466791156 PREBOVRNNWKJCB-FIFYQCSRSA-N 316.184 3.020 10 10 DGCE CC(=O)C(=O)c1sc(Br)cc1Br 1951984492 AOLJPKFARGWZEF-UHFFFAOYSA-N 311.982 3.045 10 10 DGCE COc1ccc2[nH]cc(C3=CCN(c4cc(F)ncn4)CC3)c2c1 1472662712 HKZLIXAWSSXXIJ-UHFFFAOYSA-N 324.359 3.399 10 10 DGCE CN(C)c1ccc(-c2nc(CN)c(Br)s2)cc1 217270558 KDEDBQXZDWLTJT-UHFFFAOYSA-N 312.236 3.097 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CCC(C)(C)CO1 1540518510 QYTKSIPQVWJJQD-KRWDZBQOSA-N 318.461 3.306 10 10 DGCE CC[C@H]1CCN(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)C1 1564945754 UGHWNTWBBBTEBX-CVEARBPZSA-N 317.477 3.434 10 10 DGCE Cc1c(C(=O)NCc2c(O)cccc2O)oc2ccc(F)cc12 1647178868 VPINSORTCBECAG-UHFFFAOYSA-N 315.300 3.222 10 10 DGCE O=C(NCc1c(O)cccc1O)[C@@H]1CCC[C@H]2CCCC[C@H]21 1597574510 OEHLKPHDBRVHTR-MGPQQGTHSA-N 303.402 3.321 10 10 DGCE Cc1ccncc1C(=O)NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1 1889893215 QHSISZRTHGKUTA-WMZOPIPTSA-N 321.424 3.309 10 10 DGCE CP(C)(=O)CCCNCc1ccc(Br)cc1O 1969957452 OPPBJWFDLLIBJH-UHFFFAOYSA-N 320.167 3.257 10 10 DGCE CO[C@H]1[C@H](NCc2ccc(Br)cc2O)CC1(C)C 1974298512 LANBEAYDYYLBEJ-YPMHNXCESA-N 314.223 3.058 10 10 DGCE C[C@H](CCNC(=O)OC(C)(C)C)[C@H](N)c1ccc(N(C)C)cc1 1977944588 HXCDAZWJPJZXHL-CJNGLKHVSA-N 321.465 3.303 10 10 DGCE CN(Cc1ccc(N)cc1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 1977921657 XOPFUQHWKMSAKY-INIZCTEOSA-N 319.449 3.004 10 10 DGCE NCc1cc(F)c(N2CC[C@H](C3CC3)C2)cc1Br 400155264 GVWHARSCFSQCRJ-JTQLQIEISA-N 313.214 3.283 10 10 DGCE CSC[C@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)C1 706669615 UMTNJUAJAIMUJM-NSHDSACASA-N 313.850 3.433 10 10 DGCE C[C@H](N)c1ccc(N2CCO[C@H](C)[C@@H]2C)cc1Br 380487184 ADLGHSYRYLDCPS-GARJFASQSA-N 313.239 3.082 10 10 DGCE N#Cc1cc(CN)ccc1N1CCC(OCc2ccccc2)CC1 384082463 AOHWIVYMZSJVCC-UHFFFAOYSA-N 321.424 3.203 10 10 DGCE COc1cccc(O)c1[C@@H](C)n1nc(C2CCC2)cc1C(=O)O 2069859393 OYAIWULDVUSXIY-SNVBAGLBSA-N 316.357 3.172 10 10 DGCE Cc1ccc([C@@H](C)n2nc(C3CC3)c(CN)c2Cl)c(O)c1 2079002426 IYUILEGNTKEQGV-SNVBAGLBSA-N 305.809 3.496 10 10 DGCE Cc1ccc([C@@H](n2nc(C)c(C(=O)O)c2N)C(C)(C)C)c(O)c1 2079110721 DPYPWUQWTMIFFT-CQSZACIVSA-N 317.389 3.121 10 10 DGCE COc1ccc([C@H](C(C)C)n2nc(C)c(CO)c2Cl)c(O)c1 2079971010 AMFJDVNZYUEDKD-HNNXBMFYSA-N 324.808 3.297 10 10 DGCE C[C@H](N[C@@H]1CS[C@@H](C(F)(F)F)C1)c1ccc(O)cc1O 2189219538 BQKCJPQYNBLFTM-YVZVNANGSA-N 307.337 3.185 10 10 DGCE CC[C@@](C)(CN(C)Cc1cc(Cl)cc(OC)c1O)OC 2186323232 QMEWNFRKDVSKHI-HNNXBMFYSA-N 301.814 3.301 10 10 DGCE COc1ccc(N(Cc2ccccc2)C(C)(C)CO)c(C=O)c1 2211293959 XSIPBSAMZWLELE-UHFFFAOYSA-N 313.397 3.285 10 10 DGCE Cc1cc([C@H](O)c2ccc3c(c2)CCN3C)oc1Br 2106794504 XOYKGDZKYGAGFM-CQSZACIVSA-N 322.202 3.425 10 10 DGCE CN(Cc1cc(N)ccc1O)Cc1snc(Cl)c1Cl 2110911512 GHJUEEGNNISBDW-UHFFFAOYSA-N 318.229 3.370 10 10 DGCE C[C@H]1[C@@H](N)[C@H](C)CCN1Cc1cc(Cl)cc(Cl)c1O 2095701197 DONMAGRSSRVNSM-ZDMBXUJBSA-N 303.233 3.257 10 10 DGCE CC1(C)C[C@H](N)CCN1Cc1cc(Cl)cc(Cl)c1O 2098861774 CLYBZWUWVPJDFN-LLVKDONJSA-N 303.233 3.401 10 10 DGCE CC1=NN(c2ccccc2)C(=O)C1=CNc1cccc(C(=O)O)c1 2297532076 MZGUOJVYIFDSCY-UHFFFAOYSA-N 321.336 3.103 10 10 DGCE O=C(C=Cc1ccccc1)NCCCSc1nccs1 2297570581 XCLGZKAWKPHOPY-UHFFFAOYSA-N 304.440 3.455 10 10 DGCE Cc1ccc(CNC2CC(F)(F)C2)c(O)c1Br 2307571408 PLWQJALYEQSJRA-UHFFFAOYSA-N 306.150 3.350 10 10 DGCE NCc1ccc(N2CC[C@](F)(C(F)F)C2)cc1Br 2315950398 RVQQDHHAOMHBTN-GFCCVEGCSA-N 323.156 3.091 10 10 DGCE Cc1cc(Cl)cc(CNC[C@H](c2ccco2)N(C)C)c1O 181617257 KBWVUUCPQYTJOZ-CQSZACIVSA-N 308.809 3.340 10 10 DGCE NC(=O)c1cc(NCc2cc(Cl)ccc2O)c(F)cc1F 36920756 RYWOYHZDXXBBRF-UHFFFAOYSA-N 312.703 3.035 10 10 DGCE CCC(CC)CCS(=O)(=O)N1CCC[C@H](N=[N+]=[N-])CC1 2363201539 YHSDRFPDXFMYFG-ZDUSSCGKSA-N 302.444 3.307 10 10 DGCE C[C@@H](NCCC(=O)Nc1ccccc1)c1ccc(F)c(F)c1O 187717715 HYHZIJPCAPTYRI-LLVKDONJSA-N 320.339 3.350 10 10 DGCE CN(Cc1ccccc1O)C(=O)C(C)(C)c1ccccc1F 136948291 OFHZKASHTBHCNH-UHFFFAOYSA-N 301.361 3.468 10 10 DGCE C[C@H]1SCCS[C@@H]1c1noc(-c2sccc2O)n1 135962557 AUAOOGMCHUNZCT-SVRRBLITSA-N 300.430 3.413 10 10 DGCE Cc1cc(C)nc(NC2=NC(=O)/C(=C\c3ccccc3)S2)n1 83309489 QELBVQIPBPPWON-UKTHLTGXSA-N 310.382 3.176 10 10 DGCE CC(=O)Nc1ccc(CN[C@H](C)c2ccc(F)c(F)c2O)cc1 191190857 ULHWVPQHDLCQSD-SNVBAGLBSA-N 320.339 3.480 10 10 DGCE Cc1cc(N(C)Cc2ccccc2O)nc(-c2cccnc2)n1 131415754 JXRCJOTUOLOXMV-UHFFFAOYSA-N 306.369 3.189 10 10 DGCE CCNCc1ccc(OC)c(CSCCN(CC)CC)c1 88735889 JQGFKYMJPOZGBS-UHFFFAOYSA-N 310.507 3.380 10 10 DGCE CN(CC(F)F)c1ccc(/C=C/C(=O)O)c(Br)c1 234286884 AKTLABQIEBHZOW-HWKANZROSA-N 320.133 3.248 10 10 DGCE Oc1cc(Br)cc(Br)c1[C@H]1CCCN1 238727212 PNUBNUVJUABDPE-MRVPVSSYSA-N 321.012 3.342 10 10 DGCE Cc1cc(O)ccc1NS(=O)(=O)Cc1cccc(Cl)c1 243444910 NDZIYYKGPKDLRX-UHFFFAOYSA-N 311.790 3.296 10 10 DGCE O=C(/C=C\c1cc2ccccc2o1)NCCc1ccc(O)c(O)c1 255366683 UOWJLQIWBNECNM-VURMDHGXSA-N 323.348 3.216 10 10 DGCE CN(C(=O)/C=C\c1ccc(Cl)nc1)c1cccc([N+](=O)[O-])c1 255690825 VJKBQQUIAUQDAV-VURMDHGXSA-N 317.732 3.319 10 10 DGCE COc1ccc2c(c1)CCN2C(=O)/C=C\c1cnc(C)s1 255695875 ONRXJSCCLXUXEA-XQRVVYSFSA-N 300.383 3.063 10 10 DGCE CCOc1ccc(O)c(CN2CCC[C@H]2c2cn(C)nc2C)c1 373175195 FQEIHOYAMHGNKU-KRWDZBQOSA-N 315.417 3.170 10 10 DGCE CN[C@@H](c1ccc(N(C)C)cc1)[C@@H](O)c1sccc1Cl 2163129782 AUIMDBBPUKZALE-UONOGXRCSA-N 310.850 3.462 10 10 DGCE NCc1ccc2c(c1)CCCN2CCc1ccc2c(c1)CCO2 390846320 DQEIKYYTXWNEKS-UHFFFAOYSA-N 308.425 3.076 10 10 DGCE Cc1cc(CN2CCC[C@H]([C@@H]3CCOC3)C2)ccc1N(C)C 815074238 MVFNTLLAMBDPJY-ZWKOTPCHSA-N 302.462 3.310 10 10 DGCE CC[C@H](N[C@@H]1CNCCC1(F)F)c1cccc(Cl)c1O 817979776 FDNSNBMUPKRNKY-NWDGAFQWSA-N 304.768 3.084 10 10 DGCE COc1ccc(N(C)Cc2c(C3CCC3)cnn2C)cc1F 825468812 PPVYNEXMFILRMO-UHFFFAOYSA-N 303.381 3.472 10 10 DGCE CN1CCCc2cc(CNC(=O)c3cncc(Cl)c3)ccc21 825510745 GXIXHDOIROJNDT-UHFFFAOYSA-N 315.804 3.047 10 10 DGCE Cc1cn2cc(NC(=O)N(C)Cc3ccccc3O)ccc2n1 738920451 PPWCHPWKBOIMLS-UHFFFAOYSA-N 310.357 3.012 10 10 DGCE CN(C)c1ccc(CN[C@@H]2COCC2(C)C)c(C(F)(F)F)c1 825098141 BBKLVCKVXYBCFL-CQSZACIVSA-N 316.367 3.286 10 10 DGCE CC(C)N1CCC([C@@H]2C[C@@H]2NCc2ccc3c(c2)CCO3)CC1 585506908 MTUVPMPTSGBJGL-OALUTQOASA-N 314.473 3.220 10 10 DGCE CC(C)O[C@]1(CN[C@@H]2C[C@H](C)c3c(F)ccc(O)c32)CCOC1 903357236 LJLUCJYYOZYPSL-WRSAYESZSA-N 323.408 3.253 10 10 DGCE CCN(CC)c1ccc(CN2CCC(C3(O)CC3)CC2)cc1 846009421 ZHUVYHXQNAHORA-UHFFFAOYSA-N 302.462 3.270 10 10 DGCE Cc1ccccc1[C@H]1C[C@H](NC(=O)NCCc2ccc(N)cc2)C1 841897436 ZCLXVIYTSMBVCA-SAABIXHNSA-N 323.440 3.365 10 10 DGCE Cc1cc(O)c(CNCc2cnc3n2CCCC3)c(Cl)c1 840942956 BZNSBTALSTVOLF-UHFFFAOYSA-N 305.809 3.177 10 10 DGCE COc1cc(Br)cc([C@H](C)NCC(C)C)c1O 848515259 WWFKCYZCENFNEG-VIFPVBQESA-N 302.212 3.470 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CC[C@H](C2CC2)O1 929527609 SUUCWEOFUHRYQH-ZWKOTPCHSA-N 316.445 3.059 10 10 DGCE CC(C)[C@@H](O)[C@@H](NCc1ccc2c(c1)CCO2)c1ccccc1 850395844 ZVTYMIKZVGKMPR-VQTJNVASSA-N 311.425 3.469 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@]1(O)C[C@H]2C=C[C@H]1C2 850374944 ULTOHPGMKJWNHN-CCUNJIBTSA-N 314.212 3.116 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)Nc1ccc(OC)cn1 752825471 FXYBJDLKGQATHE-UHFFFAOYSA-N 315.373 3.240 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2C(=O)[C@]12CCCC[C@H]1C2 866203663 PRIIGGPLSIRGBL-UGSOOPFHSA-N 300.402 3.058 10 10 DGCE CC(C)C[C@@H](C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 764999637 COQIGAIHKIFTLM-HZPDHXFCSA-N 318.461 3.383 10 10 DGCE CC(C)OC1(CN[C@H](C)c2cc([N+](=O)[O-])ccc2O)CCC1 872114846 CTZMACVLNWZAKM-GFCCVEGCSA-N 308.378 3.299 10 10 DGCE CN(C[C@H]1CC=CCC1)C(=O)NCc1ccc(N(C)C)cc1 783926899 JZLVZTQWNHTYGL-INIZCTEOSA-N 301.434 3.250 10 10 DGCE C[C@H](NC(=O)NC[C@H]1OCc2ccccc21)c1ccccc1O 1123734064 OBJODBFWIXSVES-YVEFUNNKSA-N 312.369 3.024 10 10 DGCE C[C@@H]1CC[C@@]2(CCN(C(=O)NCc3ccc(N(C)C)cc3)C2)C1 781610060 QYJSXZALQUSLOG-DNVCBOLYSA-N 315.461 3.474 10 10 DGCE COc1cc(C)cc(CN[C@H](C2CC2)[C@H]2CCCCO2)c1O 895182199 CBKMWBMHDLJMDG-NVXWUHKLSA-N 305.418 3.147 10 10 DGCE CSCCCCNCc1ccc(Br)cc1O 691464158 FCMMYYYDCGUDKF-UHFFFAOYSA-N 304.253 3.388 10 10 DGCE C[C@@H]1CCC[C@H](CNCc2ccc(Br)cc2O)O1 691464846 GPMVQYGLVHUGOT-ZWNOBZJWSA-N 314.223 3.202 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)c1ccccc1Br 691690671 WQRPTWSWQKODOL-SECBINFHSA-N 309.167 3.364 10 10 DGCE C[C@H]1CCC[C@H](CN)N1Cc1cc(Cl)cc(Cl)c1O 70150874 SCVUGPWCDJKELG-JOYOIKCWSA-N 303.233 3.401 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@@H]1[C@H]1C[C@H]1C 1142416880 JCYMEWZKTRYIHO-BVPBIZIASA-N 300.446 3.393 10 10 DGCE COC(=O)c1cc(OCc2ncccc2Cl)ccc1N(C)C 1166714743 YBMGYWBZGMAIKF-UHFFFAOYSA-N 320.776 3.167 10 10 DGCE CO[C@@H]1CCN(c2ccc([C@@H](C)N)cc2Br)[C@H]1C 1914271596 IUISRWSGKSDPHM-ISTVAULSSA-N 313.239 3.082 10 10 DGCE CCCCO[C@H](C)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1525107480 STSXNCGIRABBOC-MRXNPFEDSA-N 318.461 3.450 10 10 DGCE CN(Cc1ccccc1O)C(=O)NC[C@@H]1C[C@@H]1C1CCCC1 1521349531 KBLNQECYJUPOMQ-JKSUJKDBSA-N 302.418 3.360 10 10 DGCE Cc1ncccc1/C=C/C(=O)N1CCOc2cc(F)c(F)cc21 1461291405 LUOWIRJVFCXUFH-SNAWJCMRSA-N 316.307 3.107 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)NCCCc2ccccc2)cc1 1540385642 IBCBDGWLBDPHJX-UHFFFAOYSA-N 310.357 3.212 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)N[C@@H]2CO[C@@H](C)C2)c1 1557342038 XQTJVBOUVVMCJG-HOTGVXAUSA-N 312.413 3.310 10 10 DGCE CCCCC(=O)NC1CC(CNCc2ccc(OC)c(C)c2)C1 1717380640 ZVKRITNZGNCZST-UHFFFAOYSA-N 318.461 3.178 10 10 DGCE CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)[C@H](N)c1ccccc1O 1928477310 RZRVAULCUBSEFG-DFBGVHRSSA-N 308.422 3.331 10 10 DGCE CC[C@H](CO)[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1927309743 ORKHIIAKZQBLBZ-CZUORRHYSA-N 322.449 3.337 10 10 DGCE CC/C=C(\C)C(=O)N[C@H](C)CCNCc1ccc(OC)c(C)c1 1667994572 UOOFZFHEBPXNAK-SNQWNFELSA-N 318.461 3.344 10 10 DGCE CC(C)(C)OC(=O)NCC[C@@H]1CCCN(CCCN=[N+]=[N-])C1 1962287164 GIQWLKNDMXXOLU-ZDUSSCGKSA-N 311.430 3.314 10 10 DGCE COc1cc(C)cc(CN2CCC[C@@H](n3cc(C)cn3)C2)c1O 164388044 WLKXEKLPCDEYHL-MRXNPFEDSA-N 315.417 3.051 10 10 DGCE Nc1ccc(CC(=O)NCCCc2ccc(Cl)cc2)cc1 154716401 KHHQRNUVEDWQGX-UHFFFAOYSA-N 302.805 3.214 10 10 DGCE C[C@@H]1[C@@H](CNCc2cc(Br)ccc2O)C1(F)F 1947969145 GMLCZFVQSPVEJJ-GMSGAONNSA-N 306.150 3.146 10 10 DGCE COc1ccc(Br)c(CN[C@@H](C)CC(F)F)c1O 1964060743 MNTXRSBTRUPJDA-ZETCQYMHSA-N 324.165 3.297 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)C2CC(OCc3ccccc3)C2)C1 1976704321 NVQUYXIDYIQIPV-PCKAHOCUSA-N 314.389 3.283 10 10 DGCE CN1CCc2cc([C@@]3(O)CC[C@@H]3OCc3ccccc3)ccc21 1977940401 ZNCFZZGYABLUOL-PMACEKPBSA-N 309.409 3.246 10 10 DGCE CCN(CCCNCc1ccc(C)cc1O)C(=O)OC(C)(C)C 1994458834 ZJLGXDRNXFFINR-UHFFFAOYSA-N 322.449 3.437 10 10 DGCE C[C@@H]1CCOC[C@H]1N(C)Cc1ccc(Br)cc1O 2035126825 BARRHNYXTOWVTB-ZWNOBZJWSA-N 314.223 3.012 10 10 DGCE CNCc1ccc(N2CCC(F)CC2)c(Br)c1 689388324 KHJPYYSGPKECMS-UHFFFAOYSA-N 301.203 3.107 10 10 DGCE C[C@@H]1CC[C@H](CCN(C)c2cc(Cl)c(CN)cc2F)O1 2177381898 SIOHUINVECSWJN-ZYHUDNBSSA-N 300.805 3.332 10 10 DGCE Oc1c(Br)cccc1CNC[C@@H]1C[C@@H]1C(F)(F)F 2041784483 QFNBOWNHOUVMSM-IUCAKERBSA-N 324.140 3.443 10 10 DGCE C[C@H]1OCC[C@@H]1CN(C)Cc1c(O)cccc1Br 2057474614 ILUPQCJSAOHRQZ-GHMZBOCLSA-N 314.223 3.012 10 10 DGCE Oc1cccc2c1[C@H](NC[C@]1(Br)CC1(F)F)CC2 2082494616 RUPYAAUYKXSTHI-BXKDBHETSA-N 318.161 3.142 10 10 DGCE CP(C)(=O)C1CCN(c2ccc(CN)c(Cl)c2)CC1 2103100889 ZZDBRIIJRPNBBH-UHFFFAOYSA-N 300.770 3.390 10 10 DGCE CCc1ocnc1CN(C)c1ccc(CN)c(Br)c1 2104088664 TWPJOSZMCAWBJA-UHFFFAOYSA-N 324.222 3.095 10 10 DGCE CNCc1ccc(N2C[C@@H]3CC[C@]3(C)C2)cc1Br 2086872338 IHVFSWBIJHJRHK-SWLSCSKDSA-N 309.251 3.405 10 10 DGCE CSc1ncc(CNc2ccc(C)cc2C(N)=S)s1 2269243905 YXUYVCNPLPRSFL-UHFFFAOYSA-N 309.485 3.420 10 10 DGCE COc1ccc(Br)c(NCc2ccccc2O)n1 2254575814 ZDGZMLGFGGDNHC-UHFFFAOYSA-N 309.163 3.170 10 10 DGCE CC1(C)[C@H]2C[C@@H]2CN1c1cc(Br)c(CN)cc1F 2256964131 HSGOGZJDJNUZCU-ZJUUUORDSA-N 313.214 3.282 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1CC[C@H]2C[C@H]1CO2 2265672821 GHVLYWIIHXUOAH-XHVZSJERSA-N 302.201 3.356 10 10 DGCE CO[C@@H](CS(=O)(=O)CCCCN=[N+]=[N-])C1CCCCC1 2283996560 UQGOAXDIUVXSRU-ZDUSSCGKSA-N 303.428 3.087 10 10 DGCE CC(C)N1C(=O)C(=Cc2ccc([N+](=O)[O-])s2)SC1=S 2297478043 LAWRJNCAVJNOJM-UHFFFAOYSA-N 314.413 3.266 10 10 DGCE O=C(O)C=Cc1ccc(N2CCSC2)cc1Br 2303458224 DGBIKUSWFZKUGH-UHFFFAOYSA-N 314.204 3.058 10 10 DGCE CCC1=NN(c2ccccn2)C(=O)C1=Cc1cccc([N+](=O)[O-])c1 2332134474 AXVOTPZCOPAJDG-UHFFFAOYSA-N 322.324 3.186 10 10 DGCE CCc1cncc(CNCc2cc(Br)ccc2O)c1 2353060895 CYUQHFMSMONBQB-UHFFFAOYSA-N 321.218 3.402 10 10 DGCE C[C@@H]1CN(Cc2cc(F)ccc2O)C[C@H](c2ccccc2)O1 179986777 RMIBXGCLUNAYML-FZKQIMNGSA-N 301.361 3.493 10 10 DGCE O=C1/C(=C\Nc2nccs2)SC(=S)N1c1ccccc1 102599708 OYINWAXNJUVIOW-CSKARUKUSA-N 319.436 3.461 10 10 DGCE COCC1(CNCc2cccc(Br)c2O)CCC1 310999087 UWTZGUKJPFOACM-UHFFFAOYSA-N 314.223 3.061 10 10 DGCE CC[C@H](c1cc(Br)ccc1O)N1CC[C@H](N)[C@H]1C 310668260 HJXKJLAHXFLLQL-JIMOISOXSA-N 313.239 3.027 10 10 DGCE COc1cccc(CNc2nc(-c3ccc(C)cc3)no2)c1O 302081299 XUYYHSVJVOXYJB-UHFFFAOYSA-N 311.341 3.371 10 10 DGCE Nc1ccc(Oc2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1 38056432 QSMOETZQVBDGMA-UHFFFAOYSA-N 317.288 3.355 10 10 DGCE CCCNCc1ccc(N2C[C@H](C)N(C)[C@H](C)C2)c(Cl)c1 127891165 TXIRAYVTBJMNJL-OKILXGFUSA-N 309.885 3.368 10 10 DGCE CC(C)C[C@H](C)NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 121974993 QSSCQXBYPULDHD-FSNWXROXSA-N 316.445 3.087 10 10 DGCE COc1ccc(O)c([C@@H](C)N[C@@H](CN(C)C)c2ccccc2)c1 192926362 XBKBTUVMBKVSJN-KDOFPFPSSA-N 314.429 3.354 10 10 DGCE CC(C)[C@H](CN[C@H](C)c1ccc(F)c(F)c1O)N1CCCC1 191197626 RYJWEAJBQMXADA-DOMZBBRYSA-N 312.404 3.441 10 10 DGCE C[C@H](NC1CC(NC(=O)OC(C)(C)C)C1)c1cc(F)ccc1O 227581762 PVMFEPKHFKHUBB-PKSQDBQZSA-N 324.396 3.238 10 10 DGCE CCCN(Cc1ccc(O)c(OC)c1)c1ccc(CN)cc1 195004365 SEUDLXUHHMVYSU-UHFFFAOYSA-N 300.402 3.276 10 10 DGCE N[C@H](CCCO)c1cc(Cl)c(OCc2ccccc2)cc1O 95781386 HOLCRZMWEDNRHD-OAHLLOKOSA-N 321.804 3.397 10 10 DGCE COc1cccc(CN2CCC[C@H]2C[C@@H](O)c2ccco2)c1O 246796167 QQEDAJIBORUFLU-LSDHHAIUSA-N 317.385 3.082 10 10 DGCE CC[C@H](NC1CCC(NC(C)=O)CC1)c1ccc(F)cc1O 286011534 JGPZUCHBQFMOOI-XUJLQICISA-N 308.397 3.019 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](C)CC(F)F)c1 827160174 LWXLGIDEEOQJMY-UWVGGRQHSA-N 316.348 3.052 10 10 DGCE Cc1ccc2c(c1)[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)[C@H](C)C2 588413552 IPDPTYKAHJUYSC-LLSYWKPESA-N 323.392 3.469 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccn(C)c1C 839921839 NNJOQKKAAMBKJN-CQSZACIVSA-N 313.445 3.069 10 10 DGCE CC[C@H](CC(F)F)C(=O)NCCCSc1nccs1 837414485 QBSUPWGMRHZBJI-SECBINFHSA-N 308.419 3.423 10 10 DGCE CCc1ccccc1[C@@H](N)CNCc1ccc(N(C)C)c(F)c1 841086841 NGLZAARRNNBYHI-SFHVURJKSA-N 315.436 3.244 10 10 DGCE COc1ccc(C2CCN(Cc3cc(C)ccc3O)CC2)nc1 845996215 NCERRGPGUYTQSP-UHFFFAOYSA-N 312.413 3.484 10 10 DGCE CCN1C[C@@H](CSc2ncc(-c3ccccc3)n2C)OC1=O 848427301 VKNMKNAVALVPAW-ZDUSSCGKSA-N 317.414 3.020 10 10 DGCE NCc1ccc2c(c1)CCCN2Cc1cnn(-c2ccccc2)c1 843057207 HIVPTGDSNFLNDK-UHFFFAOYSA-N 318.424 3.284 10 10 DGCE CN(C)c1ccc(CN(C(=O)N[C@H]2CC2(C)C)C2CC2)cc1 840411139 UDTYGJDMZNOQTB-INIZCTEOSA-N 301.434 3.225 10 10 DGCE Oc1c(F)cc(F)cc1CNCC[C@H]1OCCc2ccccc21 922958013 MQWGYSAWGQRPLZ-QGZVFWFLSA-N 319.351 3.464 10 10 DGCE OC[C@@H]1C[C@H]2CN(c3ccc(OCc4ccccc4)cc3)C[C@@H]12 1899861387 BPHSXNJAUBIXRQ-ABSDTBQOSA-N 309.409 3.330 10 10 DGCE COc1cc(CN2C[C@]34CCCC[C@]3(COC4)C2)c(O)cc1C 853622175 CUJNYKZMRIMEDV-KDURUIRLSA-N 317.429 3.102 10 10 DGCE C[C@H](NCCc1cnc(C2CC2)nc1)c1ccc(F)cc1O 756770473 XPCPNIAJPKYQIF-NSHDSACASA-N 301.365 3.092 10 10 DGCE Cc1ccc([C@@H](C)NCc2nccn2CC(F)(F)F)c(O)c1 756538658 DPKNOQIXCNCTDD-LLVKDONJSA-N 313.323 3.310 10 10 DGCE CC[C@H](NC[C@@H](OC)[C@H]1CCOC1)c1cc(Cl)ccc1O 850484263 FYGLXESRPKOLPD-HZUKXOBISA-N 313.825 3.138 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)C3(F)CCCCC3)C2)cc1 855225294 JNHAWYAYAJKJNQ-AWEZNQCLSA-N 320.408 3.063 10 10 DGCE COC(=O)/C=C\c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 931274149 VQEGVYPCDSYQJT-XQRVVYSFSA-N 304.346 3.017 10 10 DGCE [N-]=[N+]=NC1CCN(C(=O)CCCOCc2ccccc2)CC1 1958669829 VFKZWBKEHVOYKP-UHFFFAOYSA-N 302.378 3.285 10 10 DGCE CC[C@@H]1[C@@H](Nc2ccc(N)cc2)CCN1C(=O)OC(C)(C)C 1959365653 HSUNKRQKOMZQFB-LSDHHAIUSA-N 305.422 3.469 10 10 DGCE CC[C@H](OC1CCCCC1)C(=O)N1Cc2cccc(O)c2C1 871202799 GLLKBSJULGCLSS-KRWDZBQOSA-N 303.402 3.362 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(N)cc2)C1(C)C 1959369546 GJTJWQBDGQOMRT-CQSZACIVSA-N 305.422 3.469 10 10 DGCE Cc1ccc(CN(c2ccccn2)[C@H]2CC[C@H](N)CC2)c(O)c1 895117157 YGXBLLCFOHLRKS-QAQDUYKDSA-N 311.429 3.372 10 10 DGCE [N-]=[N+]=NCCCCNC(=O)CSc1ccc(F)cc1F 706342348 DESGAMHCOHHFQG-UHFFFAOYSA-N 300.334 3.264 10 10 DGCE Cc1ccc([C@H](C)NCc2cc(Br)no2)c(O)c1 718881539 LFGXNFVZQOJCHG-VIFPVBQESA-N 311.179 3.302 10 10 DGCE Cc1cccc2oc(C(=O)NCCc3ccc(O)c(O)c3)cc12 1150487524 FPNPWMIZSGFQLV-UHFFFAOYSA-N 311.337 3.125 10 10 DGCE CCCCc1cc(N[C@@H](C)Cc2ccc(O)c(O)c2)ncn1 1307091940 LBNFHPPTUWQELJ-LBPRGKRZSA-N 301.390 3.274 10 10 DGCE Oc1c(Cl)cccc1CN=c1cc[nH]cc1C(F)(F)F 1307229652 LHJKAOSIYFYXBM-UHFFFAOYSA-N 302.683 3.493 10 10 DGCE CO[C@@H](CCNCc1ccc(N2CCCC2)cc1)C(F)(F)F 1320621384 QFDMKFCUOIVVKF-HNNXBMFYSA-N 316.367 3.344 10 10 DGCE O=C(/C=C\c1cncc(F)c1)N1CC2(CC2)Oc2ccccc21 1439955805 DODHXJHOIPBLHZ-WAYWQWQTSA-N 310.328 3.192 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N2CC[C@H]2c2ccccc2)cc1 1441395002 BGAXABPBRFITJG-HNNXBMFYSA-N 308.341 3.436 10 10 DGCE CN1CC[C@H](NCc2cc(Cl)cc(Cl)c2O)C1(C)C 1924327604 PKBBDXRAJNEMPC-LBPRGKRZSA-N 303.233 3.271 10 10 DGCE Cc1cccc(C)c1NCC(=O)NCc1cc(Cl)ccc1O 1628667210 RYIYKFGGTBTOBL-UHFFFAOYSA-N 318.804 3.391 10 10 DGCE C[C@H](NC(=O)c1cc(Cl)ccc1N)c1ccc(N(C)C)cc1 1556260948 WESXAYVNHGLKDB-NSHDSACASA-N 317.820 3.479 10 10 DGCE CC/C(C)=C\C(=O)N1CC[C@H](NCc2ccc(OC)c(C)c2)C1 1491724856 BCRITJFSCBWPOQ-QXSWTLKVSA-N 316.445 3.050 10 10 DGCE CSc1ccc(CNC(=O)NCc2c(O)cccc2F)cc1 1564589077 XHIIKYWHOOVROB-UHFFFAOYSA-N 320.389 3.253 10 10 DGCE O=C(CCc1ccc(Cl)cc1)NCc1ccc(O)cc1O 1643100880 NPFTYQICAVHURH-UHFFFAOYSA-N 305.761 3.000 10 10 DGCE CCN(C)c1ccc(CN[C@]2(c3ccccc3)C[C@H](O)C2)cc1 1644417894 MMGDROYRTKTFDZ-BGYRXZFFSA-N 310.441 3.283 10 10 DGCE CCCCC(=O)N[C@H]1C[C@H](CNCc2ccc(OC)c(C)c2)C1 1571087445 ZVKRITNZGNCZST-QAQDUYKDSA-N 318.461 3.178 10 10 DGCE O=C(CCCc1ccc(O)c(F)c1)NCc1c(O)cccc1F 1596911680 IXJKWOFIPFDOJE-UHFFFAOYSA-N 321.323 3.015 10 10 DGCE C[C@H](CCNC(=O)OC(C)(C)C)N[C@H]1CCc2cccc(O)c21 1937008854 JZKVFEUOUMXNAZ-OCCSQVGLSA-N 320.433 3.272 10 10 DGCE Nc1ccc(NS(=O)(=O)/C=C\c2ccc(Cl)cc2)cc1 209216122 SPHHPBVXZUINDZ-KTKRTIGZSA-N 308.790 3.335 10 10 DGCE O=C1/C(=C\c2ccsc2)SC(=S)N1C[C@@H]1CCCO1 1858587652 RYLCECMIRKOMOA-OTXQMUPVSA-N 311.453 3.128 10 10 DGCE Cc1ccc([C@H]2CN(CCOc3ccc(N)cc3)C(=O)O2)cc1 585887706 NNAINUWHZDEVTD-QGZVFWFLSA-N 312.369 3.150 10 10 DGCE Nc1ccc(NC(=O)C2=NO[C@H](c3ccc(Cl)cc3)C2)cc1 586035585 LOZPLQRRXGEQFQ-HNNXBMFYSA-N 315.760 3.378 10 10 DGCE CSC1CN(c2ccc([C@@H](C)O)cc2Br)C1 1939037208 FGOPQDNEELOASO-MRVPVSSYSA-N 302.237 3.054 10 10 DGCE C[C@H](N[C@@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1)c1ccccc1O 1168819990 XABWROMBTCSVEX-MELADBBJSA-N 320.433 3.441 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@@H](C)[C@@H](F)C2)cc1Br 1947337558 CPQXPWVFSGTQPO-KKFJDGPESA-N 301.203 3.263 10 10 DGCE COc1ccc(O)c([C@@H](C)NCCC=CBr)c1 1966191703 VMHJLEKTNWYEGH-SNVBAGLBSA-N 300.196 3.350 10 10 DGCE Oc1c(Br)cccc1CNCc1ncoc1C1CC1 1971360010 BJUYCCBDGDWZIL-UHFFFAOYSA-N 323.190 3.310 10 10 DGCE O=C(O)c1ccc(Br)c(Sc2nccs2)n1 1983531466 AZCXLWAZXZJSOR-UHFFFAOYSA-N 317.189 3.150 10 10 DGCE C[C@@H](c1cc(Cl)ccc1O)N1CC[S@@](=O)C(C)(C)CC1 322112145 LLPZQVXFQJZDEG-PRWKNARSSA-N 315.866 3.340 10 10 DGCE CO[C@@H](CNCc1c(O)cccc1Br)C1CCC1 706805291 XSZAAOPOQFZVLX-AWEZNQCLSA-N 314.223 3.059 10 10 DGCE C[C@@H]1CCC[C@H](CNCc2cccc(Br)c2O)O1 688867037 RKCDUKIEPWDCGI-ZYHUDNBSSA-N 314.223 3.202 10 10 DGCE CCN[C@H](C)c1ccc(N2CC(OC(F)F)C2)c(Cl)c1 398868792 AXXYEKIGVQIOMZ-SECBINFHSA-N 304.768 3.438 10 10 DGCE COc1ccc(O)c([C@@H](C)n2ncc(C3CCCC3)c2N)c1 2070217289 IUOMYROOXVZTIO-LLVKDONJSA-N 301.390 3.446 10 10 DGCE Cc1c(C2CC2)nn(Cc2cc(C(F)(F)F)ccc2O)c1N 2079742880 UFBLUMLDTQIGFM-UHFFFAOYSA-N 311.307 3.424 10 10 DGCE CO[C@H]1CC[C@@H](NCc2c(O)cccc2Br)CC1 2042522829 XNQOIXQJMCBEPN-PHIMTYICSA-N 314.223 3.202 10 10 DGCE CN1CCc2cc([C@@H](N)c3ccc(Br)o3)ccc21 2044748722 WBPWXWIKIJQPFN-CQSZACIVSA-N 307.191 3.083 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CC[C@@H]2COCC[C@@H]21 2088705242 BANWTMMMKDZBNY-RNCFNFMXSA-N 302.201 3.310 10 10 DGCE C[C@@](O)(c1ccccc1Br)[C@@H](N)c1ccccc1O 2091863984 QMVJDXNVDDHOMQ-LSDHHAIUSA-N 322.202 3.062 10 10 DGCE CO[C@H]1CN([C@@H](C)c2ccc(Cl)cc2O)CC(F)(F)C1 2203339070 KMRMAPREBBAYTJ-GXSJLCMTSA-N 305.752 3.463 10 10 DGCE COc1ccc(Br)c(CNC[C@@H]2CC[C@@H]2C)c1O 2220607826 OTOUMVZDNXHMBB-UWVGGRQHSA-N 314.223 3.299 10 10 DGCE CN1C(=O)C(=Cc2ccc(OC(F)F)c(F)c2)SC1=S 2303813765 XPYBXPLGIRIEBI-UHFFFAOYSA-N 319.329 3.258 10 10 DGCE CCOC(=O)CCN(C)N=Nc1ccc([N+](=O)[O-])cc1Cl 2318775726 IIUORHTWQUCXPN-UHFFFAOYSA-N 314.729 3.132 10 10 DGCE COC(=O)Cc1nc2cc(C)ccn2c1N=Nc1ccc(O)cc1 2320768372 CGUNUSOSFSCMOI-UHFFFAOYSA-N 324.340 3.479 10 10 DGCE CN(C)c1ccc(/C=C2/N=C(CCc3ccco3)OC2=O)cc1 244537720 ZWUCNYKBERIUSI-UHFFFAOYSA-N 310.353 3.275 10 10 DGCE CN(Cc1ccccc1O)C(=O)[C@H]1Cc2cc(Cl)ccc2O1 53915057 QVYLSFFMHTTXBY-MRXNPFEDSA-N 317.772 3.008 10 10 DGCE CN(C)C[C@@H](NCc1cc(Cl)ccc1O)c1ccccc1 21014260 OCJHOLGBKDVWCJ-MRXNPFEDSA-N 304.821 3.438 10 10 DGCE CCN([C@@H](C)c1cc(Br)ccc1O)[C@@H]1CCOC1 311181904 ZAZIEUUGBOEZIX-CMPLNLGQSA-N 314.223 3.327 10 10 DGCE C[C@@H](NCCc1ccc(-n2cccn2)cc1)c1ccccc1O 183404447 GBXRCROOLXVHJE-OAHLLOKOSA-N 307.397 3.471 10 10 DGCE CCN(CCN=[N+]=[N-])C(=O)CSc1ccc(F)cc1F 2362994760 YRIWHXYPORFPJR-UHFFFAOYSA-N 300.334 3.216 10 10 DGCE CC[C@@H](C)COC(=O)/C=C/c1ccc(N2CCOCC2)cc1 124358742 NJCTYQZMDWHSGG-RZIFZGNASA-N 303.402 3.126 10 10 DGCE CCN[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C[C@@H]1C 49707425 BEMQHNCIYJICRL-SMDDNHRTSA-N 302.340 3.410 10 10 DGCE CC1CCC(N(C)c2cc3c(cc2Cl)[C@@H](N)C(=O)N3)CC1 92750832 HSDZHTRVKCXWIX-HKJQSTPSSA-N 307.825 3.307 10 10 DGCE CN(C)c1cccc(NC(=S)Nc2ccc3cn[nH]c3c2)c1 243650528 OZRGTDIOFSUEKT-UHFFFAOYSA-N 311.414 3.438 10 10 DGCE CCOCc1nc([C@H](C)N[C@@H](C)c2ccc(C)cc2O)no1 290200341 PCAOBAVCMGTDHM-RYUDHWBXSA-N 305.378 3.032 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)N1C[C@H](O)CC[C@H]1C 817767391 ATXWEPCJZXPQDL-BXUZGUMPSA-N 318.442 3.141 10 10 DGCE CN(C)c1ccc(/C=C2/N=C(c3ccsc3)OC2=O)cc1F 727659415 PCPSACWQDHWNEH-MDWZMJQESA-N 316.357 3.298 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCC[C@](O)(C2CC2)C1 827151760 JFWBTXQSQFTXOI-OAHLLOKOSA-N 316.228 3.436 10 10 DGCE CCOCc1cc(CNC2(CC(=O)O)CCCC2)ccc1OC 901687177 LJIRDUFGMAHGOX-UHFFFAOYSA-N 321.417 3.109 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@H](CO)CCc2ccccc2)c1 903289972 PRMHZOZGQKKFBB-HOCLYGCPSA-N 315.413 3.045 10 10 DGCE C[C@H](NC/C=C/c1ccc(N(C)C)cc1)c1nnc2ccccn12 835035782 KTTHRZRBUGRRFT-LFAOLKIESA-N 321.428 3.159 10 10 DGCE CCO[C@@H]1C[C@@H](NCc2c(O)cccc2Cl)[C@@H]1SC 842767495 USUZOCVUBRTFLS-BNOWGMLFSA-N 301.839 3.044 10 10 DGCE Oc1ccc2ccccc2c1CN1CCC(Cn2cnnc2)CC1 844734549 ZLZZGEKOHQZPOF-UHFFFAOYSA-N 322.412 3.049 10 10 DGCE CC[C@@H](NC[C@@H](C)N1C[C@H](C)O[C@H](C)C1)c1ccc(C)cc1O 848558474 QKHMLLKXOOVTTG-XLMAVXFVSA-N 320.477 3.239 10 10 DGCE CC[C@H](NC[C@H]1CNCCC1(F)F)c1cccc(Cl)c1O 925779624 YPOKQIRQSBSAOZ-MFKMUULPSA-N 318.795 3.331 10 10 DGCE COCC1(CCNCc2cccc(Br)c2O)CC1 842728913 LNLNAHTUKSMKHV-UHFFFAOYSA-N 314.223 3.061 10 10 DGCE Cn1cc(C[C@H]2CCC[C@H]2NCc2cc(Cl)ccc2O)cn1 850383986 GSTCXTMJYPKIAJ-CZUORRHYSA-N 319.836 3.280 10 10 DGCE COc1ccc(N2CC[C@H](NC3Cc4ccccc4C3)C2)cc1 850487111 GBWVDTPEGWESHW-KRWDZBQOSA-N 308.425 3.031 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)NC(C)(C)C(C)C)C2)cc1 854295754 BBXCIFOLSQLWFY-CQSZACIVSA-N 319.449 3.008 10 10 DGCE CN(C)c1cc(F)c(CN[C@@H](C2CC2)[C@H]2CCCOC2)cc1F 922896823 PJAKIIGJTPBXGE-UGSOOPFHSA-N 324.415 3.326 10 10 DGCE O=C(c1cc(O)cs1)N1CC2(CCOCC2)[C@@H]1c1ccco1 855596369 BJZNYHJNOJFIEN-AWEZNQCLSA-N 319.382 3.041 10 10 DGCE C[C@@H]1C[C@H](NCCC[C@H]2CCOC2=O)c2c(O)ccc(F)c21 872113213 NNTFIDJNPVIRCA-MDZLAQPJSA-N 307.365 3.013 10 10 DGCE C[C@@H](O)c1ccc(N2CC(OCC(F)(F)F)C2)c(Cl)c1 687911006 BOSLPCFMCDENNK-MRVPVSSYSA-N 309.715 3.161 10 10 DGCE OCc1ccc(NCc2c(O)cccc2Br)cc1 706871934 RCMKMAKTUNXATE-UHFFFAOYSA-N 308.175 3.259 10 10 DGCE CC(C)N(C[C@H](C)O)c1ccc([C@H](C)N)cc1Br 691375363 OORNURSIWWIURR-QWRGUYRKSA-N 315.255 3.064 10 10 DGCE C[C@@H]1CO[C@H](C(F)(F)F)CN1Cc1cc2c(cc1O)CCC2 795694237 OSAAHCFVSUVOIY-BMIGLBTASA-N 315.335 3.033 10 10 DGCE CCc1ccc(S(=O)(=O)N(CC)c2ccc(N)cc2)s1 63114414 CVSMTEWCAQQWNA-UHFFFAOYSA-N 310.444 3.108 10 10 DGCE CNC(=O)C[C@@H](N[C@@H](C)c1cc(F)ccc1O)c1ccccc1 795850649 CBANYBKCKMZUKZ-BLLLJJGKSA-N 316.376 3.059 10 10 DGCE C[C@H](NC(=O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]12)c1ccc(N(C)C)cc1 1226646949 LVQHWCCKTCFRMZ-IYTBDQPUSA-N 313.445 3.157 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)Nc2ccc3c(n2)CCCC3)cc1 1303332807 OBUZHLRWMCRONL-UHFFFAOYSA-N 323.356 3.375 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCCCC1CC1 1230194376 AIJVKGIGBHKTQL-HNNXBMFYSA-N 317.477 3.481 10 10 DGCE O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CC[C@@H]2C[C@H]2C1 1329237118 RUACACGICQCSBH-IXDOHACOSA-N 311.429 3.051 10 10 DGCE [N-]=[N+]=NC[C@H]1CCN(C(=O)c2cc(F)c(F)cc2Cl)C1 1912211621 YSBCEJRGYWYTNT-SSDOTTSWSA-N 300.696 3.391 10 10 DGCE Cc1cc(C)cc(CNC(=O)c2ccc(N=NC(N)=O)cc2)c1 1453948531 KKHLTCFQAVLVBH-UHFFFAOYSA-N 310.357 3.396 10 10 DGCE CSc1ccc(Cl)c(C(=O)NCc2c(O)cccc2O)c1 1456236325 RJHUIUTVPRASTA-UHFFFAOYSA-N 323.801 3.403 10 10 DGCE CCOC(=O)C1(NCc2ccc(N(C)C)c(C)c2)CCCCC1 1473239071 KDXPPFXDHHVSIK-UHFFFAOYSA-N 318.461 3.417 10 10 DGCE O=C(Nc1cc(-n2cccc2)ccc1F)c1cccc(O)c1O 1542682523 KKNJZSJXUCRVGD-UHFFFAOYSA-N 312.300 3.280 10 10 DGCE CSc1ccc(Cl)c(C(=O)NCc2cccc(O)c2O)c1 1558159221 BTQHASGWLJPGGV-UHFFFAOYSA-N 323.801 3.403 10 10 DGCE O=[N+]([O-])c1ccc(O)c(N=c2[nH]c3c(F)cc(F)cc3s2)c1 1859843170 KKUIQRTUWVVUHX-UHFFFAOYSA-N 323.280 3.354 10 10 DGCE COc1cc(N)c(Cl)cc1C(=O)Nc1cccc(N(C)C)c1 1866102877 WAQUOCIZSVFEBC-UHFFFAOYSA-N 319.792 3.249 10 10 DGCE C[C@H](N)c1ccc(N2C[C@H](C)[C@@H](F)C2)c(Br)c1 1947332418 HZTNPZXGUGCKPY-AUTRQRHGSA-N 301.203 3.263 10 10 DGCE [N-]=[N+]=NCCCCNC(=O)[C@H]1CCCN(Cc2ccccc2)C1 1963732667 QLEPTSCPNWKNSB-INIZCTEOSA-N 315.421 3.105 10 10 DGCE CN(CC1(O)CCC1)c1ccc(CNC(=O)OC(C)(C)C)cc1 1977923350 SNGLREYZQRFCKC-UHFFFAOYSA-N 320.433 3.063 10 10 DGCE CN(C)c1ccc([C@H](O)CC(C)(C)NC(=O)OC(C)(C)C)cc1 1977957698 HXKCLQLVJLWVSF-OAHLLOKOSA-N 322.449 3.479 10 10 DGCE CN(C)c1ccc([C@H](N)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 1977945400 NNUCENHCBPJTMR-HOTGVXAUSA-N 319.449 3.152 10 10 DGCE Oc1cc(Cl)ccc1CN[C@H]([C@H]1CCOC1)C(F)(F)F 2146308043 HZRWTXOPBIBGQX-JOYOIKCWSA-N 309.715 3.103 10 10 DGCE CC(C)(C)OC(=O)N1C[C@]2([C@H](N)c3ccccc3O)C[C@@]2(C)C1 1978994565 QHHNHSYXTMHEGK-JLSDUUJJSA-N 318.417 3.039 10 10 DGCE Oc1cccc(Br)c1CN1CCCC[C@@H]1CF 2004478680 YQYNETGGCRFSGV-SNVBAGLBSA-N 302.187 3.479 10 10 DGCE CCCN[C@@H](C)c1cnc(Sc2ncc3n2CCC3)s1 2176937866 UWYWGFBSPBGKBL-JTQLQIEISA-N 308.476 3.498 10 10 DGCE Oc1c(F)cc(F)cc1CNc1ccc(Br)nc1 708481631 RWTGBKALDTWYEX-UHFFFAOYSA-N 315.117 3.440 10 10 DGCE CCNCc1ccc(N2C[C@@H](F)[C@H](F)C2)cc1Br 714709812 UOAOFTOAIDZPOR-CHWSQXEVSA-N 319.193 3.055 10 10 DGCE Oc1c(Cn2nccc2Br)cccc1C(F)(F)F 2069913717 ZZVDXJCDCMWLIZ-UHFFFAOYSA-N 321.096 3.418 10 10 DGCE COCc1nc(CN(C)c2ccc(CN)c(Cl)c2)cs1 2188803282 YYIRYDTYEALCQY-UHFFFAOYSA-N 311.838 3.038 10 10 DGCE CO[C@H](C)CCN(C)c1ccc([C@@H](C)N)cc1Br 2059358340 CVFYRQJYWYMJND-GHMZBOCLSA-N 315.255 3.330 10 10 DGCE CCNCc1ccc(N2C[C@H]3C(C(F)F)[C@@H]3C2)cc1Cl 2192283513 ULWQWLNDFIBPDD-VXGBXAGGSA-N 300.780 3.397 10 10 DGCE CCNCc1ccc(N(C)C[C@H]2C[C@@H]2F)c(Br)c1 2068042222 AQRAQIQGKDXUFO-YPMHNXCESA-N 315.230 3.353 10 10 DGCE C[C@H](c1ccccc1O)N(C)c1cnc(Br)cn1 2072468078 ZTUSQHIMBZBYJI-SECBINFHSA-N 308.179 3.142 10 10 DGCE CN(CC1(Cl)CC1)c1ccc(CO)cc1Br 2212044179 VMXBJMSDLDLSGP-UHFFFAOYSA-N 304.615 3.149 10 10 DGCE [N-]=[N+]=NC1CCN(Cc2nscc2Br)CC1 2211137695 KABQRJZURPEQDB-UHFFFAOYSA-N 302.201 3.180 10 10 DGCE CC(C)(C)OC(=O)N1CCCC[C@](N)(c2ccccc2O)CC1 2244869907 WSKCVVNLGQOPTC-GOSISDBHSA-N 320.433 3.357 10 10 DGCE CSc1ncc(CNc2ncnc3sc(N)cc23)s1 2269282622 XOEREGMLWPKFEH-UHFFFAOYSA-N 309.445 3.064 10 10 DGCE Cc1ccsc1C=C1SC(N2C[C@H](C)O[C@H](C)C2)=NC1=O 2293606109 CXSCXXJSWFBCQD-PHIMTYICSA-N 322.455 3.136 10 10 DGCE CCN1C(=O)SC(=Cc2ccc(N3CCCC3)cc2F)C1=O 2293783175 IVEPCZFHKKVRGW-UHFFFAOYSA-N 320.389 3.482 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)C=Cc2ccc(F)cc2)c1 2301402181 ODWTWCFUVBSXRV-LBPRGKRZSA-N 315.344 3.431 10 10 DGCE NCc1ccc(N2CC[C@H]3C=C[C@@H]2C3)c(F)c1Br 2311394899 MFHJQXWLHBJREX-MWLCHTKSSA-N 311.198 3.202 10 10 DGCE CCN1N=C(c2ccccc2)C(=Cc2ccccc2OC)C1=O 2332143607 SDRJTLJLNMRIBS-UHFFFAOYSA-N 306.365 3.345 10 10 DGCE CCCNC(=O)NCc1cc(C)n(-c2ccc(OC)cc2)c1C 9228671 ZDGSLWPZVXGDRE-UHFFFAOYSA-N 315.417 3.312 10 10 DGCE CCCN(c1ccc(N)cc1)S(=O)(=O)Cc1ccccc1 63115499 SMJFFRRKFLAHBL-UHFFFAOYSA-N 304.415 3.015 10 10 DGCE CCS(=O)(=O)c1ccc(N[C@@H](C)c2ccccc2O)cc1 36982409 OZXKMHUQMXNNJQ-LBPRGKRZSA-N 305.399 3.359 10 10 DGCE Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C\c3cccnc3)NC(=O)CN21 33912395 NTNSIQPVVGVBPT-GWQNQTGSSA-N 319.408 3.027 10 10 DGCE CN(Cc1cccc(Br)c1O)CC1CCOCC1 156026835 FELAYTUHDDRZLM-UHFFFAOYSA-N 314.223 3.013 10 10 DGCE Cc1ccc([C@@H](C)N[C@H]2CCc3nnc(C(C)C)n3C2)c(O)c1 186293860 KQYRFGMAHBVWCZ-KGLIPLIRSA-N 314.433 3.081 10 10 DGCE CN1CCCc2cc(CNC(=O)c3cccn3C3CC3)ccc21 181155195 VHUVAYWYDFMOLN-UHFFFAOYSA-N 309.413 3.135 10 10 DGCE c1cc(N2CCOCC2)ccc1CN[C@@H]1CC2CCC1CC2 320739387 SWUATHJMHMFYGZ-GXOAENINSA-N 300.446 3.192 10 10 DGCE C[C@@H](c1ccc(F)cc1O)N(CCCN)Cc1ccccc1 381829622 NWJRQCFIDLSWNO-AWEZNQCLSA-N 302.393 3.443 10 10 DGCE COc1ccccc1CCN(C)Cc1cccc(OC)c1O 93105248 YTCGHFMTGVIXEF-UHFFFAOYSA-N 301.386 3.084 10 10 DGCE Nc1ccc(Nc2c(F)cc(F)cc2Br)nc1 236355763 OBGRWAVGKHVBTA-UHFFFAOYSA-N 300.106 3.448 10 10 DGCE O=C1N=C(N2CCCCC2)S/C1=C/c1ccccc1[N+](=O)[O-] 96759398 UTQUOQBTFZIWLP-JLHYYAGUSA-N 317.370 3.051 10 10 DGCE CC(=O)N(C(=O)Nc1ccc(F)cc1F)c1ccc(N)cc1 242810330 FJBWEDJAXCZUBL-UHFFFAOYSA-N 305.284 3.132 10 10 DGCE COc1ccc(O)c([C@@H](C)NC[C@H]2CCN2C2CCCCC2)c1 527951197 QPKKMVCXFUPZLR-GDBMZVCRSA-N 318.461 3.458 10 10 DGCE CN(C(=O)/C=C\c1cn(C)c2ccccc12)c1ncccc1F 254976895 FKTHPFQIKHVKTE-KTKRTIGZSA-N 309.344 3.389 10 10 DGCE CC(C)[C@H]1C[C@@H]1C(=O)NCc1cc(Br)ccc1O 804738639 YFDKQPUXFYTRNL-NEPJUHHUSA-N 312.207 3.063 10 10 DGCE COC[C@H]1CCN1Cc1ccc2c(c1)CCN2Cc1ccccc1 816636611 CBQHKSVKPQGYNN-HXUWFJFHSA-N 322.452 3.470 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)/C=C\[C@H]2CCCO2)cc1 819040303 ZJCWDOOCYJIUEI-MENFKHAKSA-N 316.445 3.226 10 10 DGCE C[C@H](N[C@H]1CNCC[C@@H]1C)c1ccc(N2CCCCC2)cc1 817968056 NXOALRWHXLIBRV-BXWFABGCSA-N 301.478 3.326 10 10 DGCE CCS[C@@H]1CCC[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C1 588405156 NKLLVTWWYUKHRX-MHVKHXTKSA-N 321.442 3.292 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCO[C@H](c3ccco3)C2)cc1 835027973 HUGOUPQXWQQPOO-JUGMSXHOSA-N 312.413 3.432 10 10 DGCE Cc1cc(N(C)C)ccc1CN1CCC2(C1)Oc1ccccc1O2 840947535 VXVDLRUOWXDAKW-UHFFFAOYSA-N 324.424 3.434 10 10 DGCE CCOc1cccc(CN[C@H](C2CC2)[C@H]2CCCCO2)c1O 848560700 QEBKDESEMIYJFF-NVXWUHKLSA-N 305.418 3.228 10 10 DGCE Cc1ccc(CC[C@@H](C)NC(=O)NCc2ccccc2O)o1 743672303 IBFGRJHKNOXNSD-GFCCVEGCSA-N 302.374 3.114 10 10 DGCE CC1(C2CC2)CCN(C(=O)NCCc2ccc(N)cc2)CC1 841956322 CFKWYTHVMZKIKC-UHFFFAOYSA-N 301.434 3.033 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H](CNc2ccc(N)cc2)C2(CC2)C1 1900007274 FIMCUPQOYMNJIG-CYBMUJFWSA-N 317.433 3.328 10 10 DGCE COc1cccc(CNC(=O)NCC[C@H]2CCC[C@H](C)C2)c1O 745826697 CFJVFFSTMBOGRT-UONOGXRCSA-N 320.433 3.416 10 10 DGCE OC1CCN(c2ccc(CNC[C@]34CCCC[C@H]3C4)cc2)CC1 922428600 LCHTXFMJENLEBA-FXAWDEMLSA-N 314.473 3.318 10 10 DGCE C[C@H](N[C@H]1C[C@H](C)n2ncnc21)c1ccc2ccccc2c1O 850498774 DAIZTWWHEIAHKX-MKBNYLNASA-N 308.385 3.494 10 10 DGCE Cc1cc(O)c(CNCCCO[C@H]2CCCCO2)c(Cl)c1 922230634 HFCQZETTYAZMNC-INIZCTEOSA-N 313.825 3.377 10 10 DGCE COc1cc(C)c(C)cc1NC(=O)NCCc1ccc(N)cc1 850755088 AUSNBTNKHGCMHZ-UHFFFAOYSA-N 313.401 3.258 10 10 DGCE CN(C)c1ccc(CN[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]32)cc1F 850409302 QDRLVIQQKQHTOR-ZYSHUDEJSA-N 314.379 3.459 10 10 DGCE C[C@H](NC1CC(CF)(CF)C1)c1ccc(N2CCOCC2)cc1 850427946 IBKOTJMAHVVKOO-AWEZNQCLSA-N 324.415 3.262 10 10 DGCE C[C@@H]1CN(Cc2c(O)ccc3ccncc23)C[C@@](C)(C(F)F)O1 853631456 WKNAWZDCUWSWLA-DIFFPNOSSA-N 322.355 3.185 10 10 DGCE COC1(CNC(=O)N[C@@H](C)c2ccccc2O)CCCCC1 868551801 WOOCNBWPMYMJJQ-ZDUSSCGKSA-N 306.406 3.102 10 10 DGCE C[C@@H]1C[C@@H]([C@@H](N)c2ccccc2O)N(C(=O)OC(C)(C)C)C1 1958387612 CKCZCHSJUSXFFZ-ZLDLUXBVSA-N 306.406 3.038 10 10 DGCE CC[C@H](NCCCSc1nccs1)[C@@H]1CCCOC1 872038474 NZCAHFKWFYOIHL-OLZOCXBDSA-N 300.493 3.420 10 10 DGCE COc1cc(Cl)cc(CNc2cnn(C)c2C2CC2)c1O 770666357 VGJMUYKLZXOIJW-UHFFFAOYSA-N 307.781 3.277 10 10 DGCE COc1ccc2c(c1)NC1(CCCC1)CN2C(C)(C)C(=O)O 76931047 QHNZSDGOLGTHIX-UHFFFAOYSA-N 304.390 3.103 10 10 DGCE COc1ccc(O)c(CNCCCOCc2ccccc2)c1 390107289 UGDDJGPXWQADRZ-UHFFFAOYSA-N 301.386 3.097 10 10 DGCE Cc1cc(CNC(=O)c2ccccn2)c(C)n1-c1ccccc1 1132048151 LDRDWEKQRURDIG-UHFFFAOYSA-N 305.381 3.419 10 10 DGCE O=C(C[C@@H]1CCC2(CCC2)O1)NCc1cc(Cl)ccc1O 898276678 DJCNKGDMFHDRBO-ZDUSSCGKSA-N 309.793 3.154 10 10 DGCE CC(C)c1cnc(CNCc2cccc(Br)c2O)[nH]1 894571391 PYWYILIYNOETIV-UHFFFAOYSA-N 324.222 3.291 10 10 DGCE O=C(NCc1cccc(Cl)c1O)N[C@@H]1CCCC[C@@H]1F 896104331 CEYLVJVGAFXJBP-NWDGAFQWSA-N 300.761 3.126 10 10 DGCE C[C@H](O)c1ccc(N2CCO[C@@H](C(F)F)CC2)c(Cl)c1 687553771 OVZDCLVVGSPWSC-TVQRCGJNSA-N 305.752 3.254 10 10 DGCE CN(C)c1ncccc1NCc1ccc(Br)cc1O 691476166 IDCRMHKCMVOPCP-UHFFFAOYSA-N 322.206 3.228 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)c1cccc(Br)c1 691690174 RBJWHLKFJNPTPR-NSHDSACASA-N 309.167 3.364 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F 1328089059 WCTLZHFAZXVPIM-VNQPRFMTSA-N 322.399 3.392 10 10 DGCE Cc1c(NC(=O)c2ccc(N=NC(N)=O)cc2)c[nH]c2nccc1-2 1472020712 HKIYTKANVGEEKU-UHFFFAOYSA-N 322.328 3.238 10 10 DGCE COC[C@@H](CN(Cc1ccccc1O)C[C@H]1CCCO1)C(C)C 1473262354 WSWTUWVQTAUJFO-QZTJIDSGSA-N 321.461 3.292 10 10 DGCE CC(C)(C)OC(=O)NCCCNCc1ccc2c(c1)CCCO2 1473985597 ZBUTZPYHEJBDOX-UHFFFAOYSA-N 320.433 3.016 10 10 DGCE O=C(NCc1c(O)cccc1F)NC[C@H]1C[C@H]1C1CCCC1 1565481154 HWFWONKZMARMBR-OLZOCXBDSA-N 306.381 3.157 10 10 DGCE Cc1nnc(N(C)Cc2ccccc2O)n1CCC1(C)CC1 1742754799 SLXPBBAIVJTJAX-UHFFFAOYSA-N 300.406 3.119 10 10 DGCE CCOc1cccc(CN[C@@](C)(COC)c2ccccc2)c1O 154642944 WDPIUKUCFNJCFJ-IBGZPJMESA-N 315.413 3.442 10 10 DGCE NCCCCCC(=O)Nc1ccc(Cc2ccc(N)cc2)cc1 1865955364 PZILSRMOCHMVFY-UHFFFAOYSA-N 311.429 3.317 10 10 DGCE Cc1ccc(O)c(CNCCC(=O)NCCC2=CCCCC2)c1 1857862077 YNGKLLFWMZTSBA-UHFFFAOYSA-N 316.445 3.187 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@@]1(O)C[C@H]2CC[C@H]1C2 2145238081 AZGIKHLXZRWTSM-ZSGNIPIJSA-N 316.228 3.340 10 10 DGCE CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)c1ccc2c(c1)CCN2C 1977939516 QLUZIHXAWINYHQ-ZBFHGGJFSA-N 320.433 3.016 10 10 DGCE CN(C(=O)c1cccc(F)c1Br)c1ccc(N)cc1 155665260 FBAFKLSMPVSYDN-UHFFFAOYSA-N 323.165 3.447 10 10 DGCE C[C@H]1CN(c2ccc(CO)c(Br)c2)CC1(F)F 1996507046 PMLDNOKMRJYLOF-QMMMGPOBSA-N 306.150 3.033 10 10 DGCE CNCc1ccc(N2C[C@@H](F)C[C@H]2C)c(Br)c1 1997687591 ZQFOTJGZMIADAC-KOLCDFICSA-N 301.203 3.105 10 10 DGCE C[C@H]1C[C@H](F)CN1c1ccc([C@@H](C)N)c(Br)c1 1997690901 GATARPSHFJSYBE-AEJSXWLSSA-N 301.203 3.406 10 10 DGCE CCCc1cc(O)nc(Sc2ncc([C@H](C)NC)s2)n1 2159809503 QFBRAAZWYLNMNA-QMMMGPOBSA-N 310.448 3.023 10 10 DGCE C[C@@H]1CN(Cc2ccc(Br)cc2O)[C@H](C)CCO1 2031608223 RYRMMOIOEJDNAK-GHMZBOCLSA-N 314.223 3.154 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCO[C@H](CCF)C1 700594845 PNZCVAOVAABGTE-LLVKDONJSA-N 308.180 3.259 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@@]12COC[C@H]1C2(F)F 2161887402 ONMRZEWSKNLDJJ-ZYHUDNBSSA-N 324.154 3.070 10 10 DGCE CN1CCc2cc([C@H](O)c3c(Cl)cncc3Cl)ccc21 2163072405 AKQCSSUMUBUDKO-HNNXBMFYSA-N 309.196 3.462 10 10 DGCE CN(C[C@H]1CCCS1)c1ccc(CO)cc1Br 718352497 SONUPTAQCTXSFT-LLVKDONJSA-N 316.264 3.273 10 10 DGCE CCCNCc1ccc(N(C)Cc2cnsn2)cc1Cl 2167117837 FAGJKARKBOYBMP-UHFFFAOYSA-N 310.854 3.328 10 10 DGCE Cc1cccc(O)c1CNC[C@H]1CCN(C(=O)OC(C)(C)C)C1 877315086 ZEJWRBBZZNHCTI-CQSZACIVSA-N 320.433 3.047 10 10 DGCE CC[C@@H](c1ccc(C)cc1O)n1nc(C2(C)CC2)c(N)c1N 2079023356 QDQVCYOINVBGMJ-LBPRGKRZSA-N 300.406 3.112 10 10 DGCE CCCCN(c1cc(Cl)c(CN)cc1F)[C@H]1CCOC1 2197226464 CWQBHRPNDYVGSM-LBPRGKRZSA-N 300.805 3.333 10 10 DGCE C[C@H]1C[C@@]1(F)CN(C)c1cc(Br)c(CN)cc1F 2085435339 KNSJEADQESCXTA-ISVAXAHUSA-N 319.193 3.231 10 10 DGCE Nc1snnc1-c1nc(-c2cccc(Cl)c2Cl)no1 2099891165 USJOCQBHHNNUHT-UHFFFAOYSA-N 314.157 3.144 10 10 DGCE CCC[C@@](CSc1nccs1)(NC(C)C)C(=O)OCC 2207856823 MZSVNLOVSXSVLJ-AWEZNQCLSA-N 316.492 3.335 10 10 DGCE CCOC(=O)[C@](CSc1nccs1)(C[C@H](C)CC)NC 2207913226 FJCKRPYJQHFKQD-BXUZGUMPSA-N 316.492 3.193 10 10 DGCE Cc1ccc(CN[C@@H]2CSC2(C)C)c(O)c1Br 2307566158 UACFTZMSZKCJDQ-SNVBAGLBSA-N 316.264 3.447 10 10 DGCE COCC[C@H](C)CNCc1ccc(C)c(Br)c1O 2327621353 MHPYKJJSKAVNTM-JTQLQIEISA-N 316.239 3.225 10 10 DGCE CN[C@@H]1C(=O)Nc2cc(N3CCC(C)(C)CC3)c(Cl)cc21 118706271 AYKJGSBOEIAWCL-AWEZNQCLSA-N 307.825 3.179 10 10 DGCE Cc1cccc(N)c1N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@H]12 1895592946 GPPMOJXLOXZKNP-BPLDGKMQSA-N 317.433 3.387 10 10 DGCE CC(C)(C)c1nnc(NCc2cc([N+](=O)[O-])ccc2O)s1 181589490 LSXWMHSVVZCRST-UHFFFAOYSA-N 308.363 3.062 10 10 DGCE Nc1ccc(NC(=O)CCOc2c(F)cccc2Cl)cc1 212939216 GDFOEHSAJDBALN-UHFFFAOYSA-N 308.740 3.469 10 10 DGCE COCCC(C)(C)CN[C@H](C)c1ccc(N2CCOCC2)cc1 183945060 NGKAZYYKUQEEBC-MRXNPFEDSA-N 320.477 3.237 10 10 DGCE Nc1ccc(OCCC(=O)Nc2ccc(F)cc2Cl)cc1 40302400 SYLNRCSIAYTYRT-UHFFFAOYSA-N 308.740 3.469 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCO[C@@H](CC)C1 817788954 LWYOEGQVGPCGCE-HOTGVXAUSA-N 320.433 3.271 10 10 DGCE COC(=O)c1ccc2c(c1)CN(Cc1cc3c(cc1O)CCC3)C2 730253974 DOGWHHUJUAFXCC-UHFFFAOYSA-N 323.392 3.183 10 10 DGCE C[C@H](N[C@@H](CO)CCc1ccccc1)c1cc(F)cc(F)c1O 903292176 CUOBGAGPDSYWJP-SWLSCSKDSA-N 321.367 3.315 10 10 DGCE CC[C@@]1(CO)CCCN(C/C=C/c2ccc(N(C)C)cc2)C1 835045573 IXHWKPSZITXDHY-WSSFADSRSA-N 302.462 3.250 10 10 DGCE OC[C@@]1(CNCc2c(O)cccc2Cl)CCc2ccccc21 846011950 RCRBECWSSAXFPO-SFHVURJKSA-N 317.816 3.012 10 10 DGCE C/C(=C\c1cccnc1)C(=O)NCCCSc1nccs1 847487810 LJULTQXIIQDMPK-ZRDIBKRKSA-N 319.455 3.240 10 10 DGCE COc1cc(Cl)cc(CNCc2ccc([C@@H](C)N)cc2)c1O 841028923 IHZAQFPGPXNCFO-LLVKDONJSA-N 320.820 3.364 10 10 DGCE CCOc1cccc(CN[C@@H](C)[C@@H]2C[C@H](C(=O)O)C2(C)C)c1O 848639780 LLRDZLNTWGRDRV-FPMFFAJLSA-N 321.417 3.016 10 10 DGCE Cc1nc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2s1 754832690 KYRIGXJDYIZZKB-IZZDOVSWSA-N 306.437 3.436 10 10 DGCE c1cc(N2CCCCC2)ccc1CN[C@@H]1COC2(CCC2)C1 850368411 XPKPMTXUDHBIEO-KRWDZBQOSA-N 300.446 3.478 10 10 DGCE COc1ccc(N(CC(C)C)C[C@@H](OC)[C@@H]2CCOC2)cc1 851829482 IFNSNMAHWQQCSH-CRAIPNDOSA-N 307.434 3.209 10 10 DGCE Fc1cc(CN[C@@H]2CC23CCCC3)ccc1N1CCOCC1 758525756 PPLQHYGXOVXCSL-QGZVFWFLSA-N 304.409 3.085 10 10 DGCE C[C@@H]1CC[C@@H](N[C@H](C)c2cccc(C(F)(F)F)c2O)CN1 863544763 ANFSPTLHSJOGBE-GMTAPVOTSA-N 302.340 3.202 10 10 DGCE O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCCC[C@H]1F 868111485 CKJXYRHYRSUOJJ-SJORKVTESA-N 319.424 3.367 10 10 DGCE Fc1cc(CN[C@@]23CCCC[C@H]2C3)ccc1N1CCOCC1 865704557 VNTMUWHKGJJLOJ-MAUKXSAKSA-N 304.409 3.085 10 10 DGCE CC(C)n1ncc(-c2nc(Cc3ccc(N)cc3)no2)c1Cl 863656170 NMRMPRBPFXKTJF-UHFFFAOYSA-N 317.780 3.340 10 10 DGCE Cc1cc(Br)cc([C@H](C)NCc2ccn(C)n2)c1O 779040450 IWMWLBIDOXTHOR-JTQLQIEISA-N 324.222 3.047 10 10 DGCE O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1=CCC1 779962851 HFIBFQSEIYUHMC-CYBMUJFWSA-N 322.355 3.093 10 10 DGCE CCOc1ccc(CN2CC[C@H](c3nccs3)C2)c(O)c1 895582146 FLPWCDBZQIVJAO-ZDUSSCGKSA-N 304.415 3.237 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)Nc2cccc3c2CCO3)cc1 1139851470 UJLXNBOUXRPSJP-UHFFFAOYSA-N 310.313 3.036 10 10 DGCE Cc1nc(CNCc2c(O)cccc2Br)oc1C 706822023 WHVDEHRMCGHGQM-UHFFFAOYSA-N 311.179 3.049 10 10 DGCE CNCc1ccc(N2CCC[C@@H](CF)C2)cc1Br 711457553 WJARDEKJMHAUAI-NSHDSACASA-N 315.230 3.354 10 10 DGCE C[C@@H](N)c1ccc(N(C)CC2CSC2)cc1Br 718265909 GBQNGMNDWORNDD-SECBINFHSA-N 315.280 3.268 10 10 DGCE CC[C@]1(C(=O)O)CCN(Cc2cc(Cl)cc(Cl)c2O)C1 86781218 VYGJVCGLHBPQKI-AWEZNQCLSA-N 318.200 3.386 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2cc(-c3cccs3)on2)c1 1167291102 ULFUFXBJFOBIMH-UHFFFAOYSA-N 314.366 3.347 10 10 DGCE Oc1cccc(F)c1CN[C@H]1CCCN(Cc2ccccc2)C1 1660046899 AZJBYWFQORFDAJ-INIZCTEOSA-N 314.404 3.286 10 10 DGCE CCN(CCNCc1ccc(OC)c(C)c1)C(=O)C(C)(C)CC 1273581874 MTGHAVYSCUTFOP-UHFFFAOYSA-N 320.477 3.378 10 10 DGCE CNCc1ccc(N(Cc2ccccc2)[C@H](C)CCO)cc1C 1915368906 OSSSLBXQBCMNNH-QGZVFWFLSA-N 312.457 3.492 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(Cc2sncc2Br)C1 1912185223 NIURYHSMCDSRQK-SSDOTTSWSA-N 302.201 3.180 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 1912201692 XVSAOMGXXPQDMS-SNVBAGLBSA-N 314.798 3.051 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)NC/C=C/c2ccccc2)cc1 1295767579 LWQBHDZRJNCEDP-AFQGZZBRSA-N 308.341 3.292 10 10 DGCE O=C(NCc1ccc(O)cc1O)c1cccc2c1CCCCC2 1469161112 HHDXLVGXWJONSA-UHFFFAOYSA-N 311.381 3.297 10 10 DGCE CC[C@H](C)[C@@H](C)C(=O)N(C)CCN(C)c1ccc(OC)cc1 1461336855 IULAGHYVSXKDHP-LSDHHAIUSA-N 306.450 3.272 10 10 DGCE CCCN1N=C(C(F)(F)F)/C(=C/c2ccccc2F)C1=O 1865653958 ARVNKHAZSRWFCG-NTMALXAHSA-N 300.255 3.380 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)CCN(C)C 1625240287 LAIJRUKJMCWPNE-MRXNPFEDSA-N 319.493 3.077 10 10 DGCE C[C@H](NC(=O)c1cc(Cl)cc(F)c1N)c1ccccc1O 1635803455 GENKAUSGQGMPHB-QMMMGPOBSA-N 308.740 3.258 10 10 DGCE CCc1cc(C(=O)NCc2c(O)cccc2F)cc(Cl)n1 1646033771 FAYHQDUTBAFOPS-UHFFFAOYSA-N 308.740 3.072 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 1654734997 NXMMCTPUFFAWSE-UHFFFAOYSA-N 320.732 3.192 10 10 DGCE CC/C=C(/C)C(=O)NC/C=C\CNCc1ccc(OC)c(C)c1 1668731772 LPKDKTAEECZWBW-WEWPEUQNSA-N 316.445 3.122 10 10 DGCE CC[C@H]1CN(C(=O)OC(C)(C)C)CCCN1CCCN=[N+]=[N-] 1962301140 UKABWVPYCLKYLO-ZDUSSCGKSA-N 311.430 3.408 10 10 DGCE CC(C)(C)OC(=O)N1CC(N(CCN=[N+]=[N-])CC2CCC2)C1 1962300378 QFXAYLIGDYNEQW-UHFFFAOYSA-N 309.414 3.018 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNCCCc1nncs1 1877898727 WRZCADUQOYUTCI-UHFFFAOYSA-N 318.229 3.273 10 10 DGCE Nc1cccc(Br)c1N[C@@H]1CCCC[C@H]1CCO 2030113075 KDMYIHWDOXBPRP-GXFFZTMASA-N 313.239 3.384 10 10 DGCE Oc1c(F)cc(Br)cc1CNCC1[C@@H]2CCC[C@@H]12 2032738503 DIVLNMCMGRRWEV-GHMZBOCLSA-N 314.198 3.430 10 10 DGCE COC(C)(C)CN(C)c1ccc([C@H](C)N)c(Br)c1 404290666 ZGTBOIJDRIQOMQ-JTQLQIEISA-N 315.255 3.330 10 10 DGCE CC1CCC(S(=O)(=O)Nc2ccc(O)cc2Cl)CC1 407304940 LOQHVYOFLCJNBW-UHFFFAOYSA-N 303.811 3.366 10 10 DGCE C[C@H]1CCN(c2cc(Br)c(CN)cc2F)[C@H]1C 380560490 TZHPELGZDXNTOP-IUCAKERBSA-N 301.203 3.282 10 10 DGCE CCN[C@@H](c1ccc2c(c1)CCN2C)[C@H]1CSCCS1 2163080059 RPLDENSNSHZSKI-CVEARBPZSA-N 308.516 3.178 10 10 DGCE CN[C@@H](c1ccc(N(C)C)cc1)[C@H](O)c1ccsc1Cl 2163134542 ZSWPEVISZZGQHG-UONOGXRCSA-N 310.850 3.462 10 10 DGCE CCc1nn([C@@H](c2ccc(C)cc2O)C(C)(C)C)c(N)c1CO 2079136877 FBIQHJPQFJDCBF-INIZCTEOSA-N 317.433 3.170 10 10 DGCE O=Cc1nn(Cc2cc(F)ccc2O)c(C(F)(F)F)c1Cl 2079227794 NPCRCHVHAPBIQN-UHFFFAOYSA-N 322.645 3.261 10 10 DGCE COc1ccc([C@H](C(C)C)n2nc(C(C)C)c(N)c2N)c(O)c1 2080001761 NLBCZUKQRIVSGD-INIZCTEOSA-N 318.421 3.131 10 10 DGCE Oc1cc(Cl)ccc1CNCc1c[nH]nc1C(F)(F)F 2183027143 VHUJUIMCEKSTCC-UHFFFAOYSA-N 305.687 3.077 10 10 DGCE Cc1cc(N(C)Cc2cc(Br)co2)ccc1CN 2050627665 DKWWSWWHTJDRHB-UHFFFAOYSA-N 309.207 3.446 10 10 DGCE CNCc1ccc(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@H]32)cc1Br 2053741540 OOUVVIWBBSHYEA-GZCFXPHUSA-N 307.235 3.013 10 10 DGCE Nc1ccc(NCCc2ccc(O)c(O)c2)c(Br)c1 2091749872 AZWAUWOGHDXKEL-UHFFFAOYSA-N 323.190 3.097 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(Cc2nc(Cl)cc(Cl)n2)CC1 2099329310 LWEMZCFJUNXHJC-MRVPVSSYSA-N 301.181 3.448 10 10 DGCE CO[C@@H]1CN([C@H](C)c2ccc(Cl)cc2O)CC(F)(F)C1 2203339071 KMRMAPREBBAYTJ-KOLCDFICSA-N 305.752 3.463 10 10 DGCE CN[C@@H](C)c1ccc(N2CC(c3nncs3)C2)cc1Cl 2285449174 OZNMHZKVCULOQN-VIFPVBQESA-N 308.838 3.076 10 10 DGCE CN[C@@H](C)c1ccc(N(C)Cc2nc(C)ns2)cc1Cl 2288820117 GPXLXJZFNXZFEC-VIFPVBQESA-N 310.854 3.417 10 10 DGCE COc1cccc(C=C2SC(N3CCC(C)CC3)=NC2=O)c1 2296681938 CJVVSXZDVBLKFA-UHFFFAOYSA-N 316.426 3.397 10 10 DGCE O=C(C=Cc1cccc2cccnc12)N1CCc2cnccc21 2297605444 RKLOIFSWHMJRSY-UHFFFAOYSA-N 301.349 3.232 10 10 DGCE Cc1ccc(CNCc2cccc(Br)c2O)cc1O 2344926653 IFTZQJMCMAMGDE-UHFFFAOYSA-N 322.202 3.459 10 10 DGCE CN(C)c1ccc(CNC(=O)C[C@@H]2CCOc3ccccc32)cc1 117581526 AUEVDCLQBQSQFV-INIZCTEOSA-N 324.424 3.325 10 10 DGCE CC(C)N(Cc1ccccc1)C(=O)[C@H]1CNc2ccccc2N1 303989212 QLOUTSQGWFPWNR-GOSISDBHSA-N 309.413 3.330 10 10 DGCE Cc1ccc(O)c([C@H](C)N[C@H](C)Cc2c(C)nn(C)c2C)c1 185559056 HXIITBYNPZESHZ-OLZOCXBDSA-N 301.434 3.333 10 10 DGCE Cc1ccc([C@H](C)CNC(=O)/C=C/c2ccc(O)c(O)c2)cc1 181108211 MUKGVNBFQXGAJI-OAUONFCTSA-N 311.381 3.339 10 10 DGCE CN(C)c1ccc(CNC(=O)N2C[C@@H]3CCCC[C@H]3C2)cc1F 78917977 ROCWWJRMRAPTMB-GJZGRUSLSA-N 319.424 3.223 10 10 DGCE CN(C)c1ccc(CNC(=O)/C=C/c2ccnc(Cl)c2)cc1 133527095 ZLQSPLYPHHGORL-VMPITWQZSA-N 315.804 3.131 10 10 DGCE CCCOc1ccc(CN[C@@H](C)C[C@@H](O)c2ccco2)c(O)c1 130399935 VHTLQNQVGWINCS-SUMWQHHRSA-N 319.401 3.376 10 10 DGCE Cn1cc([C@@H]2CCCN2Cc2c(O)ccc(Cl)c2F)cn1 191322746 MTVWENICCGISEV-ZDUSSCGKSA-N 309.772 3.255 10 10 DGCE CCCc1cc(C(=O)NCc2ccccc2O)cc(Cl)n1 228409767 ULAJEYVYVVQXOV-UHFFFAOYSA-N 304.777 3.323 10 10 DGCE C[C@@H](NCc1ccnn1C)c1cc(Cl)c(Cl)cc1O 192657515 MWBAENWTGMXZGD-MRVPVSSYSA-N 300.189 3.283 10 10 DGCE CC(C)(C)[C@H](N)[C@@H](N)c1ccc(OCc2ccccc2)cc1O 95840224 LVRIRQDFIDNPKW-ZWKOTPCHSA-N 314.429 3.344 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1NCc1cc(F)ccc1O 232502397 IGYHGSZLJRXEJK-KBPBESRZSA-N 324.396 3.067 10 10 DGCE C[C@@H]1CCN(c2ccc(/C=C/C(=O)O)cc2Br)C1 235346345 MDALYMUOEISYAE-RXNUUUNCSA-N 310.191 3.393 10 10 DGCE COc1cc(CN(C)Cc2cc(OC)ccc2O)cc(OC)c1 271719862 JOFWOGFVGSNLBZ-UHFFFAOYSA-N 317.385 3.050 10 10 DGCE CC(C)C[C@H](O)[C@@H](N)c1ccc(OCc2ccccc2)cc1O 709992900 KCSRGPYBCASJAT-OALUTQOASA-N 315.413 3.378 10 10 DGCE [N-]=[N+]=N[C@H](CO)c1cc(I)ccc1Cl 1951369641 VPYASTNOLAVAIN-MRVPVSSYSA-N 323.521 3.288 10 10 DGCE C[C@H](N[C@@H]1CNCC[C@H]1C)c1ccc(N2CCCCC2)cc1 817968060 NXOALRWHXLIBRV-JTDSTZFVSA-N 301.478 3.326 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@H]2CC[C@@H](OC)C2)cc1F 826941438 JHUDNLPNGBSWMC-LSDHHAIUSA-N 322.424 3.103 10 10 DGCE Cc1cnccc1/C=C/C(=O)NCc1c(O)ccc2c1CCCC2 827323730 PFTSHKIATSTZFR-VQHVLOKHSA-N 322.408 3.304 10 10 DGCE C[C@@H](CO)C1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 846057221 FMBUFMMBPYRCDD-APHBUQMISA-N 302.462 3.106 10 10 DGCE CC[C@@H](NC[C@H](C)N1C[C@H](C)O[C@H](C)C1)c1ccc(C)cc1O 848558472 QKHMLLKXOOVTTG-LISAXSMJSA-N 320.477 3.239 10 10 DGCE COc1ccc(F)c(/C=C2/SC(=S)N(C3CC3)C2=O)c1 841494895 DSCCJROTAHWIHU-KPKJPENVSA-N 309.387 3.198 10 10 DGCE CCc1ccccc1[C@H](N)CNCc1ccc(N(C)C)c(F)c1 841086840 NGLZAARRNNBYHI-GOSISDBHSA-N 315.436 3.244 10 10 DGCE C/C(=C\c1cccnc1)C(=O)N(C[C@@H]1CCCO1)c1ccncc1 846879773 QELYTPNBRWMSQJ-XOVFHRFOSA-N 323.396 3.092 10 10 DGCE COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2CCCC(F)(F)C2)c1 756764353 HATXSAUPVMBEHE-CMPLNLGQSA-N 313.344 3.407 10 10 DGCE COc1ccc(N2CC[C@H](NCc3ccc(Cl)o3)C2)cc1 850345792 KOMOHBDOPAXJFZ-LBPRGKRZSA-N 306.793 3.310 10 10 DGCE CC[C@H]1CN(Cc2c(O)cccc2Cl)CCN1CC(F)F 769513380 BYKQHVDIOKHZLS-NSHDSACASA-N 318.795 3.207 10 10 DGCE CC[C@@H](NC[C@@H]1CC2(CCOCC2)CO1)c1ccccc1O 866533740 VAHWVORBKSNPDO-GOEBONIOSA-N 305.418 3.019 10 10 DGCE CCCn1ncc(C(=O)N2Cc3cccc(O)c3C2)c1C1CC1 871204334 YGVQPIWKLLUZRD-UHFFFAOYSA-N 311.385 3.032 10 10 DGCE Oc1c(F)cc(F)cc1CN1CC[C@@H](O)C[C@H]1c1ccccc1 895422800 OITWFUTZIWQABA-WBVHZDCISA-N 319.351 3.368 10 10 DGCE CC[C@H](N[C@@H](C)[C@@H](C)CO)c1cc(Br)ccc1O 166903474 MBJNKSNVULWBPJ-KWBADKCTSA-N 316.239 3.212 10 10 DGCE CC(C)CNCc1cc(F)c(N2CCSCC2)c(F)c1 62734945 TWMMEOCCIJYMIN-UHFFFAOYSA-N 300.418 3.264 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2C[C@H]3CSC[C@H]3C2)c1O 711550310 UJWAPQJWRDXQIZ-TXEJJXNPSA-N 311.834 3.043 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]23CCOC3)cc1 1326242426 JHVFPSJJKQTXMA-LJQANCHMSA-N 310.397 3.099 10 10 DGCE NCc1ccc(N(Cc2ccccc2)[C@@H]2CCOC2)c(F)c1F 1915478372 WRWYKDNYWNKBMM-OAHLLOKOSA-N 318.367 3.219 10 10 DGCE C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)Nc1c(Cl)ccc2nonc12 1520359751 VLBSYFKBGZWKLV-KYXWUPHJSA-N 305.765 3.497 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(F)c(C)c1N 1465031599 PVDHJHAIZKKFBF-UHFFFAOYSA-N 315.392 3.021 10 10 DGCE O=C(NC[C@@H](O)c1cccc2ccccc12)c1cc(O)cs1 1470004554 NDDQDUZPSMKMKL-OAHLLOKOSA-N 313.378 3.070 10 10 DGCE Cc1cnn(C)c1NC(=O)c1ccc(-n2c(C)ccc2C)cc1 1617343781 BAUOVNNIJBHBDP-UHFFFAOYSA-N 308.385 3.388 10 10 DGCE C[C@H](NC(=O)Cc1cc(F)ccc1O)c1ccc(N(C)C)cc1 1616834957 PABOBLGJBJGUJS-LBPRGKRZSA-N 316.376 3.017 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)Nc2ccc(Cl)cc2O)cc1 1556081717 IUFOYMIPCDQJSN-UHFFFAOYSA-N 318.720 3.460 10 10 DGCE CCn1c(C(=O)NCc2c(O)cccc2F)cc2ccccc21 1645048188 KKGIRLOTRFJJOF-UHFFFAOYSA-N 312.344 3.436 10 10 DGCE Cc1cc(N(C)C(=O)/C=C/c2ccc(Cl)nc2)ccc1O 1587082013 ALNZRAMLKJRJDI-XBXARRHUSA-N 302.761 3.425 10 10 DGCE Cc1cc(CN2C[C@]34CCCC[C@@]3(COC4)C2)ccc1N(C)C 1655187164 MZDHDZOSXMEFGH-PMACEKPBSA-N 314.473 3.454 10 10 DGCE CN(Cc1ccccc1O)C(=O)Cc1ccc2cccnc2c1 1588156398 YWNDDABRKAXWRC-UHFFFAOYSA-N 306.365 3.142 10 10 DGCE Cc1ccc(C(=O)Nc2cccc(-c3ccon3)c2)c(O)c1O 1652525106 UAAVGZXGHAUOQY-UHFFFAOYSA-N 310.309 3.314 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1[C@@H](N)c1ccccc1O 1936977212 VRKOQFTUFFYKMC-JGGQBBKZSA-N 320.433 3.476 10 10 DGCE Cc1nc([C@H](N[C@H](C)c2ccccc2O)c2ccccc2)n[nH]1 154166329 UXHGDYVOQICPFB-SJKOYZFVSA-N 308.385 3.259 10 10 DGCE CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc(N)cc1 31896500 LDRBSYLVSBNAMM-LBPRGKRZSA-N 300.358 3.074 10 10 DGCE Cn1c(-c2cccc(O)c2O)nc2cc(Br)ccc21 126585180 WYPLOHJXFIJQHC-UHFFFAOYSA-N 319.158 3.414 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC1CC(n2cccn2)C1 877529673 KTVYVCAYHLMHFA-UHFFFAOYSA-N 312.200 3.389 10 10 DGCE Oc1ccc(Br)cc1CNC[C@H]1C[C@@]12CC2(F)F 1876068293 HDQYSLJPJWGGQE-BXKDBHETSA-N 318.161 3.290 10 10 DGCE Oc1cc(F)ccc1CNCc1nccn1Cc1ccccc1 1970592040 XISJAKIBRSUXFX-UHFFFAOYSA-N 311.360 3.066 10 10 DGCE CN(C)c1ccc([C@H](O)C2(C)CN(C(=O)OC(C)(C)C)C2)cc1 1977937488 CAUJPEUCURUMPM-HNNXBMFYSA-N 320.433 3.043 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H]2CN(CCCCN=[N+]=[N-])CC[C@H]21 1982245142 CDTGYCBCBLUIDP-UONOGXRCSA-N 323.441 3.408 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2CCN(CCCN=[N+]=[N-])CC[C@@H]2C1 1982246972 BKRKTASYOYJYQO-ZIAGYGMSSA-N 323.441 3.266 10 10 DGCE CC(C)(C)OC(=O)N1CC(N(CCN=[N+]=[N-])CC2CCCC2)C1 1982247152 DSTYGJGYPDEWNN-UHFFFAOYSA-N 323.441 3.408 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(CCN=[N+]=[N-])CC2)C1 1990088565 QSWBINXSBXUAME-CQSZACIVSA-N 323.441 3.266 10 10 DGCE Nc1cccc(Br)c1N[C@@H]1CC[C@@H]2[C@@H]1C2(F)F 1996510063 YSIZKDDCGNIDEA-DRTBCBBWSA-N 303.150 3.487 10 10 DGCE CC(C)NCc1ccc(N2CCOC(F)(F)C2)cc1Cl 2152298286 OBYCBNHZBPSFEJ-UHFFFAOYSA-N 304.768 3.267 10 10 DGCE C[C@H](C(F)F)N(C)Cc1cc(Br)cc(F)c1O 2009013584 YRUUHGLIGNMUSZ-ZCFIWIBFSA-N 312.129 3.379 10 10 DGCE C[C@H](O)c1ccc(N2CC(COC(F)(F)F)C2)cc1Cl 2156324459 UHWHMWCANRDXOH-QMMMGPOBSA-N 309.715 3.366 10 10 DGCE CS[C@H]1CCN(c2ccc([C@H](C)N)c(Br)c2)C1 382957111 NHZOCRLCXJZMGG-ONGXEEELSA-N 315.280 3.411 10 10 DGCE CCc1cccc(CNc2cnn(C)c2Br)c1O 694138489 FBRXVMHCMNIKEY-UHFFFAOYSA-N 310.195 3.063 10 10 DGCE CN[C@H](C)c1ccc(N(C)C[C@@H]2OCC[C@H]2F)c(Cl)c1 2179110003 IRDITRKPKPNIPQ-YVLXSGLVSA-N 300.805 3.184 10 10 DGCE CNCc1ccc(N2CCC(F)(F)[C@H]2C)cc1Br 2052000117 FKQHLTUJSROTJU-SECBINFHSA-N 319.193 3.402 10 10 DGCE CCNCc1ccc(N(C)[C@@H]2CCOC[C@@H]2F)c(Cl)c1 2186754794 PQZSMHGCJVEMLT-DZGCQCFKSA-N 300.805 3.013 10 10 DGCE CN(C[C@@H]1C[C@H]1CF)c1ccc(CN)c(Br)c1F 2071385702 ZPSGSYVCAAXEFV-UWVGGRQHSA-N 319.193 3.089 10 10 DGCE CSc1ncc(CNCc2cc(C(C)(F)F)on2)s1 2208889009 IUESRRZKBATDSD-UHFFFAOYSA-N 305.375 3.255 10 10 DGCE COc1ccc(Br)c(CN[C@@H](C)C(C)(F)F)c1O 2220462082 GOMLCMJDVCAAJP-ZETCQYMHSA-N 324.165 3.297 10 10 DGCE C[C@H](CCNCc1cc(Br)ccc1O)OC(F)F 2261310471 YALCBDYFLXNHSG-MRVPVSSYSA-N 324.165 3.262 10 10 DGCE C=C(Cl)C(=O)N(C)Cc1ccc(C)c(Br)c1O 2307453168 UUHCFMRJIFJCME-UHFFFAOYSA-N 318.598 3.174 10 10 DGCE CC1CCN(c2ccc(CNC(=O)N[C@@H]3C[C@@H]3C)cc2)CC1 108583942 KUBKORRUZKVOCE-WMLDXEAASA-N 301.434 3.131 10 10 DGCE N[C@H](CCCCO)c1ccc(OCc2ccccc2)cc1O 309888079 LTANYTIYVPVGDG-QGZVFWFLSA-N 301.386 3.134 10 10 DGCE CC(C)(C)OC(=O)N1CCC(=O)[C@H]1CCCc1ccc(N)cc1 1952755691 URLBDELFLHUJBJ-OAHLLOKOSA-N 318.417 3.170 10 10 DGCE Cc1cncc(/C=C/C(=O)N(CC(F)(F)F)c2ccccn2)c1 121833018 HCCUEDOXOCPUCH-AATRIKPKSA-N 321.302 3.394 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 246665779 DVJQSJGMQTUENF-RPLLJCPNSA-N 311.425 3.179 10 10 DGCE CC(=O)c1ccc(NC(=S)NCc2ncc(C)cc2C)cc1 243671593 PEHKGAKMDRNHIE-UHFFFAOYSA-N 313.426 3.388 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cncc(Cl)c1 295707947 MVJYLIQLWWLNPL-UHFFFAOYSA-N 317.820 3.463 10 10 DGCE C[C@@H](NC(=O)N[C@H]1CCCC1(F)F)c1ccc(N(C)C)cc1 807139825 IJFSILBDZDPHLV-RISCZKNCSA-N 311.376 3.301 10 10 DGCE C[C@@H](CO)N(C)Cc1ccc(N(C)Cc2cccs2)cc1 296115440 SSMOOGJQKWYJMD-AWEZNQCLSA-N 304.459 3.197 10 10 DGCE C[C@@H](NC(=O)[C@H]1CCc2cccc(O)c21)c1ccc(N(C)C)cc1 816180114 FURLEZLTLFRCCW-DYVFJYSZSA-N 324.424 3.365 10 10 DGCE Cc1cc(CCNC(=O)N[C@@H]2C[C@H]2C)c(C)n1-c1ccccc1 727845841 BLYUEMWMSLZEMF-FZKQIMNGSA-N 311.429 3.344 10 10 DGCE CC1(C)Cc2n[nH]cc2CN(Cc2cccc(Cl)c2O)C1 828013703 HXSOLRYTDFRQGI-UHFFFAOYSA-N 305.809 3.353 10 10 DGCE CC(C)[C@H](O)[C@H](NCc1cc(F)ccc1O)c1ccccc1 827525684 CQMLVQOSPJVYHX-MSOLQXFVSA-N 303.377 3.379 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@]2(C)CCO[C@@H]2C2CC2)cc1 835047310 FWWDAOOWLSDBNR-XOIGSVRCSA-N 300.446 3.313 10 10 DGCE COc1ccc(N2CC[C@@H](NCc3cccc4c3NCC4)C2)cc1 849350704 SECJTGHJAXBDSJ-QGZVFWFLSA-N 323.440 3.032 10 10 DGCE CC[C@H](C(=O)NCc1cc(Cl)ccc1O)c1c(C)noc1C 846472498 KUOHQSGBQNKPOO-ZDUSSCGKSA-N 322.792 3.460 10 10 DGCE Cc1ccc(O)c(CN[C@H](C[C@@H]2CCCO2)C(F)(F)F)c1 848571186 DSOCVWXEUHSUOG-GXTWGEPZSA-N 303.324 3.290 10 10 DGCE COc1cc(CN2C[C@@H]3C[C@H]2CS3)c(O)c(C(C)(C)C)c1 840167759 CVZCIGPSEACRLH-JSGCOSHPSA-N 307.459 3.388 10 10 DGCE COCC1(CCNCc2cc(Br)ccc2O)CC1 842729624 QJLSCCQTGOPPCE-UHFFFAOYSA-N 314.223 3.061 10 10 DGCE C[C@H](NC[C@@H]1CCCC2(CCC2)O1)c1cc([N+](=O)[O-])ccc1O 927009378 CMVSIXUSUYNEQZ-JSGCOSHPSA-N 320.389 3.443 10 10 DGCE O=C(O)/C=C\c1ccc(N2CC[C@@H]3C[C@H]3C2)c(Br)c1 699271875 IDCKPLFFUUCXAD-AAJWOFDGSA-N 322.202 3.393 10 10 DGCE Cc1ccc(O)c(CNC(=O)NC[C@@H]2CC23CCSCC3)c1 858549035 ZRFKOCRWLRSZJA-AWEZNQCLSA-N 320.458 3.033 10 10 DGCE C[C@H](NC(=O)N[C@H](C)c1c(F)cncc1F)c1ccccc1O 868605475 DUEQUWQSGPLIDF-VHSXEESVSA-N 321.327 3.187 10 10 DGCE Nc1ccc(CCCN2CCN(c3ccccc3F)CC2)cc1 58267564 CVOPOCUWLXWORJ-UHFFFAOYSA-N 313.420 3.163 10 10 DGCE CCCn1nccc1NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 775432641 KTHVBOSCHHWBNP-ZDUSSCGKSA-N 315.421 3.242 10 10 DGCE CC[C@@H]1C[C@H](C(=O)NCc2c(O)ccc3ccccc23)CCO1 1558554029 HRPWRRFTMPKUMQ-HUUCEWRRSA-N 313.397 3.367 10 10 DGCE COc1ccc(O)c(CN[C@H]2Cc3ccc(Cl)cc3C2)c1 772983789 LYPHNHBOMIUWLU-HNNXBMFYSA-N 303.789 3.311 10 10 DGCE COc1ccc(C[C@@H](C)NCc2ccc(OC)cc2O)cc1 793385564 BXSJDLQJANNEGA-CYBMUJFWSA-N 301.386 3.130 10 10 DGCE CN(C)c1ccc([C@]2(C)[C@H](N)CCN2Cc2ccccc2)cc1 712040319 LXXIFXQLACTXDM-WOJBJXKFSA-N 309.457 3.201 10 10 DGCE CCC[C@@H](C)C(=O)N[C@@H](C)CNCc1ccc(OC)c(C)c1 1321813033 AVYODEHRALWTSF-HIFRSBDPSA-N 306.450 3.034 10 10 DGCE CN(Cc1cc(Cl)cc(Cl)c1O)C[C@H]1OCC[C@@H]1F 2122536675 FCPXMTSFZKOVEQ-NWDGAFQWSA-N 308.180 3.258 10 10 DGCE CNCc1ccc(N(Cc2ccccc2)[C@@H](C)CO)cc1Cl 1914361670 BJUJUMJCAUDGFA-AWEZNQCLSA-N 318.848 3.447 10 10 DGCE C[C@@H](O)CN(Cc1ccccc1)c1ccc(CNC2CC2)cc1 1914624432 AVSYLUDCEFGEGN-MRXNPFEDSA-N 310.441 3.326 10 10 DGCE [N-]=[N+]=NCC1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 1912167348 JZDFHBDODFGNIC-UHFFFAOYSA-N 320.827 3.113 10 10 DGCE Oc1ccc(Cl)cc1CN[C@@H]1CCOC[C@H]1C(F)(F)F 1916618207 XAUXTGPYOBETOH-GHMZBOCLSA-N 309.715 3.103 10 10 DGCE Oc1c(Br)cccc1CN[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21 1917459830 STXFJXPGWGOLOX-MPLKPFFPSA-N 308.219 3.289 10 10 DGCE CNc1ccc(Cl)c(C(=O)NCc2cccc(OC)c2O)c1 1465993579 UHECSUJOZIAMRV-UHFFFAOYSA-N 320.776 3.026 10 10 DGCE Cc1ccc(O)c(CNc2cc(C)nc(-c3ccccn3)n2)c1 1612628119 NLFQYSMKGLIUNK-UHFFFAOYSA-N 306.369 3.473 10 10 DGCE Cc1ccc(C[C@@H](C)N(C)C(=O)Cc2ccc(O)c(O)c2)cc1 1618023277 BKYWCYMIXKJUAL-CQSZACIVSA-N 313.397 3.038 10 10 DGCE O=C(/C=C/Sc1ccccc1)NCc1c(O)cccc1O 1647289410 CJUOGLOWWYDJRP-MDZDMXLPSA-N 301.367 3.020 10 10 DGCE CC(C)Oc1ccccc1C(=O)NCc1c(O)cccc1F 1646035550 YNNILNAHTGRPJQ-UHFFFAOYSA-N 303.333 3.249 10 10 DGCE CCO[C@H]1[C@@H](C(=O)N(C)Cc2ccc(N(CC)CC)cc2)[C@H]1C 1587460244 RNKISBNMJPIIKM-FHLIZLRMSA-N 318.461 3.162 10 10 DGCE COc1ccc2c(c1)C[C@H](C(C)C)CN2Cc1cnsn1 1654793131 CAOJYCVOPQTIJW-ZDUSSCGKSA-N 303.431 3.382 10 10 DGCE O=C(NCc1c(O)cccc1O)[C@H]1CCC[C@@H](C(F)(F)F)C1 1597568901 KEGUFMOPBPINCA-VHSXEESVSA-N 317.307 3.083 10 10 DGCE CC(C)(C)OC(=O)N1CCN(CCN=[N+]=[N-])[C@H]2CCCC[C@@H]21 1962304325 MMBMQACWDLXTHV-STQMWFEESA-N 309.414 3.161 10 10 DGCE C[C@H]1CN(c2ccc(/C=C/C(=O)O)cc2Cl)CC(C)(C)O1 164375585 DUEKBGZIQKWWHW-ZRQQLDRUSA-N 309.793 3.442 10 10 DGCE Cc1cccc([C@H]2C[C@@H](N)CCN2C(=O)OC(C)(C)C)c1O 1952137470 VJBIBXCHBBIOCL-GXTWGEPZSA-N 306.406 3.100 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](Nc3ccc(N)cc3)C[C@H]1C2 1977688882 ILABVOORXIVAIM-VBNZEHGJSA-N 317.433 3.469 10 10 DGCE CC[C@H](N[C@@H]1CC[C@@H]1NC(=O)OC(C)(C)C)c1ccccc1O 1986711758 GLFCCIHMUYRLDV-ZNMIVQPWSA-N 320.433 3.489 10 10 DGCE C[C@H](N)c1ccc(N2C[C@H](F)C[C@H]2C)cc1Br 1997690905 GATARPSHFJSYBE-KXUCPTDWSA-N 301.203 3.406 10 10 DGCE CN(Cc1cccc(Br)c1O)[C@@H]1CCC[C@@H]1F 2006807605 ODEWZHWNPATLKH-NWDGAFQWSA-N 302.187 3.477 10 10 DGCE CNCc1ccc(N2C[C@H]3C[C@H]2[C@H]2C[C@@H]32)c(Br)c1 2041540795 NNQXWIGEFAVCSY-YXMPFFBPSA-N 307.235 3.013 10 10 DGCE COc1ccc(O)c([C@H](C)n2nc(C3CCC3)cc2C(=O)O)c1 2069859165 KQEYBTFWKVALBV-JTQLQIEISA-N 316.357 3.172 10 10 DGCE C[C@H](O)c1ccc(N(C)Cc2c(Cl)cnn2C)cc1Cl 2168144937 HKWUNGLZOKDPEM-VIFPVBQESA-N 314.216 3.417 10 10 DGCE Cc1ccc([C@H](C2CC2)n2nc(C3CCC3)c(N)c2N)c(O)c1 2079014718 HTORNCUVCQOYEC-KRWDZBQOSA-N 312.417 3.328 10 10 DGCE CC(C)CN1CC[C@@H](Nc2c(N)cccc2Br)C1 2041968981 PWMMLSIKFIEMAR-LLVKDONJSA-N 312.255 3.174 10 10 DGCE CO[C@]1(CN(C)c2ccc([C@H](C)N)cc2Cl)CCSC1 2186279644 YHXWYGQGSAIZCD-NHYWBVRUSA-N 314.882 3.318 10 10 DGCE C[C@]1(O)CCC[C@@H](NCc2cc(Cl)cc(Cl)c2O)C1 2102074882 PSCGHYRHERJFCU-RISCZKNCSA-N 304.217 3.482 10 10 DGCE CNCc1ccc(N2C[C@@H]3C[C@@H](C)[C@H]3C2)cc1Br 2085508343 UQDQCEFCPZEGCU-SCDSUCTJSA-N 309.251 3.261 10 10 DGCE Cc1nc(CSCC(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])cs1 2234175541 CYEMZOBLWGGXPV-GHMZBOCLSA-N 311.436 3.032 10 10 DGCE CCCOc1ccc(C=C2SC(=S)NC2=O)cc1OCC 2297306783 HIBXQPGUMFYCLO-UHFFFAOYSA-N 323.439 3.363 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)N1CCC[C@@H]1c1ccccc1 2307987415 AVMPAVKQCNLPLQ-MRXNPFEDSA-N 309.365 3.475 10 10 DGCE Cc1cc(Cl)ccc1N=NN1CCN(c2ncccn2)CC1 2330152950 BCZQARGNXYVKBX-UHFFFAOYSA-N 316.796 3.259 10 10 DGCE Cc1ccc(CNC(=O)[C@@H]2C[C@H]2C2CC2)c(O)c1Br 2352946183 HDPJHMDIRYGYSK-NWDGAFQWSA-N 324.218 3.125 10 10 DGCE COc1ccc(N2CCN(Cc3cccc4[nH]ccc34)CC2)cc1 179531116 BWHVQUXLHCLVKS-UHFFFAOYSA-N 321.424 3.499 10 10 DGCE Cc1ccc([C@@H](C)N[C@H]2CCN(c3ccccc3)C2=O)c(O)c1 185813067 PCDJLYRPXNXEBR-PBHICJAKSA-N 310.397 3.157 10 10 DGCE Oc1cccc(N2CCN(Cc3cc(Cl)ccc3O)CC2)c1 121636148 OGPBESUWLYLXOX-UHFFFAOYSA-N 318.804 3.073 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)N(C)Cc2ccccc2)c1 185861206 RULJQLHEBKPTQX-CYBMUJFWSA-N 314.385 3.303 10 10 DGCE Cc1nn(C)c(C)c1CCCN[C@H](C)c1ccc(F)c(F)c1O 187829084 SITSBWBECWRSNH-SNVBAGLBSA-N 323.387 3.304 10 10 DGCE CCc1nn(CC)c(CN(C)Cc2ccc(N)cc2)c1Cl 89350798 USRHAOKWIXFLBK-UHFFFAOYSA-N 306.841 3.333 10 10 DGCE O=C(NCc1cc(Cl)cc(Cl)c1)c1ccc(O)c(O)c1 2366809116 HNFQGIFVVWUEBJ-UHFFFAOYSA-N 312.152 3.335 10 10 DGCE CC[C@H](Oc1ccc(N)cc1)C(=O)c1ccc(OC)c(OC)c1 40353975 KVOANWHDIAWENE-HNNXBMFYSA-N 315.369 3.326 10 10 DGCE COc1ccc(CN(C)Cc2nc3c(s2)CCCC3)c(O)c1 93336139 YZTQQMLEGJNUHI-UHFFFAOYSA-N 318.442 3.368 10 10 DGCE Oc1ccc(Cl)c(F)c1CN1CC[C@@H](Oc2ccncc2)C1 369390930 GSBAISDNPUKGIU-GFCCVEGCSA-N 322.767 3.233 10 10 DGCE Cc1cc(Cl)cc(CNc2cccc3c2OCC(=O)N3)c1O 367955182 ADBRPGSAFCOGAH-UHFFFAOYSA-N 318.760 3.297 10 10 DGCE CCOc1cccc(CN[C@@H](C)[C@@H](O)c2ccccc2)c1O 288432206 BROYTQPRAUTNDQ-SUMWQHHRSA-N 301.386 3.003 10 10 DGCE CCC1CN(c2ccc(/C=C/C(=O)O)c(Br)c2)C1 704648564 WKPMUUDYCXESKZ-GQCTYLIASA-N 310.191 3.393 10 10 DGCE CC1(C)CN(C(=O)c2ccccc2CCN)c2cc(F)ccc21 653203573 SABHXGRWQZVXPG-UHFFFAOYSA-N 312.388 3.265 10 10 DGCE CC(C)[C@@](C)(CC(=O)O)NC/C=C/c1ccc(N(C)C)cc1 901817750 MNOVBWQJPGHJRC-IPLHWJFFSA-N 304.434 3.245 10 10 DGCE Cc1ccc([C@@H](C)N[C@H](CCN(C)C)c2cccnc2)c(O)c1 903379398 GLAKDISMNUEMAK-CRAIPNDOSA-N 313.445 3.439 10 10 DGCE CCN(CC)c1ccc(CNC(=O)N2CCCCCO2)cc1 844899566 YKWMJJRBBKXMHX-UHFFFAOYSA-N 305.422 3.160 10 10 DGCE CCC1(CC)CN(Cc2ccc(N(C)C)cc2C)CC[S@@]1=O 840938789 RIOXTZGYQJWTQU-QFIPXVFZSA-N 322.518 3.184 10 10 DGCE CC[C@@H](C)n1ncc(C(=O)NCc2cc(Cl)ccc2O)c1C 846474010 QDBKOAMHBDJFKN-SNVBAGLBSA-N 321.808 3.452 10 10 DGCE Cc1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)c(Cl)n1 746803406 XHJVTQRZUPDDAN-UHFFFAOYSA-N 321.783 3.179 10 10 DGCE C[C@H](NC(=O)NC[C@]1(C)CCCCO1)c1ccc(N(C)C)cc1 922056248 WYUAJCOPZPMRLP-KSSFIOAISA-N 319.449 3.072 10 10 DGCE Oc1cc2c(cc1CN1CCO[C@H](CC(F)(F)F)C1)CCC2 853611477 OHBUIEPLAGWVFX-CQSZACIVSA-N 315.335 3.034 10 10 DGCE Cc1ccc(/C=C/C(=O)N2C[C@@H](C)Oc3cc(F)ccc32)cn1 754308181 NOSNWRWCJVUQGL-OQHXTRMZSA-N 312.344 3.356 10 10 DGCE O=[N+]([O-])c1cc(Cl)cc(CNCC[C@@H]2CC2(F)F)c1O 856802832 YZIUZSLHGLGWKT-MRVPVSSYSA-N 306.696 3.089 10 10 DGCE O=C(N[C@H]1CCSC2(CCC2)C1)N1Cc2cccc(O)c2C1 927284067 SPBLNZBCHHJMOY-ZDUSSCGKSA-N 318.442 3.236 10 10 DGCE Nc1ccc(C[C@@H](O)Cc2cc(F)ccc2Br)cc1 696531247 ZNKHXSNCFZNGJM-CQSZACIVSA-N 324.193 3.317 10 10 DGCE C[C@@H](N[C@@H]1CNC[C@H]1C)c1ccc(N2CCCCC2)c(F)c1 925786389 OGNIZPRDQNGEEO-CKEIUWERSA-N 305.441 3.075 10 10 DGCE CCO[C@H](CC(=O)NCc1ccc2cccnc2c1O)C(C)C 862027228 NKTWCGCDOSJNMK-OAHLLOKOSA-N 316.401 3.008 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)NCC[C@@H]2CCCS2)c1 868977316 ORPBVRSUZWNUHV-YPMHNXCESA-N 324.446 3.047 10 10 DGCE CC[C@@H](C(=O)N1Cc2cccc(O)c2C1)c1c(C)noc1C 871201415 VRICAQSGDGNJEY-CYBMUJFWSA-N 300.358 3.033 10 10 DGCE CCN1CC[C@@H](N(C)Cc2cc(Cl)cc(F)c2O)[C@@H](C)C1 775717914 VFJASADHGZFLGW-XHDPSFHLSA-N 314.832 3.347 10 10 DGCE CCOC(=O)[C@@H]1CCCN(Cc2cc(Cl)cc(C)c2O)C1 775632882 CTJZTOWBYYWIQB-GFCCVEGCSA-N 311.809 3.129 10 10 DGCE Cc1cc(Br)cc(CN(C)Cc2ccc[nH]2)c1O 775733847 JJFCAIVPHCLWMU-UHFFFAOYSA-N 309.207 3.423 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@H]3C[C@H]2[C@H]2C[C@H]23)cc1 1125235826 VEBPYVACHRREJC-VINWQNLFSA-N 312.457 3.441 10 10 DGCE CC[C@@H]1OCC[C@@H]1CNCc1ccc(Br)cc1O 701143192 SDGPRYBFTFLCSB-RISCZKNCSA-N 314.223 3.059 10 10 DGCE C[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@@H]2CCCC[C@H]12 1136200042 OYTOETMEQXMUFH-BPLDGKMQSA-N 303.402 3.068 10 10 DGCE COc1ncc(CN(C)c2ccc(OC)c(Cl)c2)c(C)n1 799127399 GSYLZHCXSYQWJB-UHFFFAOYSA-N 307.781 3.092 10 10 DGCE Oc1ccc(Br)cc1CNC1C[C@H]2[C@H](C1)C2(F)F 693377292 CDMDFAMXWBLYMR-QWRGUYRKSA-N 318.161 3.288 10 10 DGCE Oc1cc(-c2nc3cccc(Br)c3[nH]2)cc(O)c1O 2132404197 PVAAFSCHRLUVPV-UHFFFAOYSA-N 321.130 3.109 10 10 DGCE CN(Cc1ccccc1)C1CN(c2ccc(CNC3CC3)cc2)C1 1914204268 CLSGQBLAMKCYHQ-UHFFFAOYSA-N 321.468 3.259 10 10 DGCE O=C(NC1(c2cccc(F)c2)CCC1)c1cccc(O)c1O 1299807907 VGNYOYDEFGKHIV-UHFFFAOYSA-N 301.317 3.046 10 10 DGCE Cc1c(C(=O)O)cc(C(F)(F)F)n1-c1ccccc1[N+](=O)[O-] 1542989830 HKWCAAPRHWBGFH-UHFFFAOYSA-N 314.219 3.411 10 10 DGCE C[C@H](NC(=O)c1cnc(-c2ccccc2)[nH]1)c1ccccc1O 1557967941 BLCDKMFCCIDPAY-LBPRGKRZSA-N 307.353 3.273 10 10 DGCE Cc1ccnc(CNCc2ccc(N)cc2)c1Br 1927116701 IBZZDKTVSSYOAL-UHFFFAOYSA-N 306.207 3.025 10 10 DGCE CC1(CNC(=O)c2cc3cc(O)c(O)cc3s2)C[C@H]2C[C@@H]2C1 1635077390 VWMWSEQAVLSTLG-GHMZBOCLSA-N 317.410 3.479 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1cn2ccccc2n1 1645441192 VVVDVMOQQWMUTD-UHFFFAOYSA-N 317.348 3.123 10 10 DGCE O=C(NCc1c(O)cccc1F)N[C@@H]1CCc2cc(F)ccc21 1676529480 JUAVHDJMTBCURT-OAHLLOKOSA-N 318.323 3.157 10 10 DGCE COc1ccc(N(CCCN)Cc2cnc(Cl)s2)cc1 2143730960 YIHJHXSNJNYCEC-UHFFFAOYSA-N 311.838 3.161 10 10 DGCE CN(CC[C@H]1CCCO1)Cc1c(O)cccc1Br 1972191878 GOPAIFFZFHVTBT-LLVKDONJSA-N 314.223 3.156 10 10 DGCE CC[C@](C)(CNC(=O)OC(C)(C)C)N(C)Cc1ccc(N)cc1 1977925824 JONXJDBKBPRSMS-GOSISDBHSA-N 321.465 3.394 10 10 DGCE CN[C@@H](C[C@@H](C)NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1977946118 SYIPQZNFQIDDGQ-CJNGLKHVSA-N 321.465 3.316 10 10 DGCE CN(C)c1ccc([C@@H](N)CC2(NC(=O)OC(C)(C)C)CC2)cc1 1977944815 JVUBNIJOWXZTBK-HNNXBMFYSA-N 319.449 3.200 10 10 DGCE C[C@H](N)c1ccc(N2C[C@@H](F)C[C@H]2C)c(Br)c1 1997694641 XBHDZSRVFCWGCT-YWVKMMECSA-N 301.203 3.406 10 10 DGCE C[C@H](NC[C@]1(Br)CC1(F)F)c1ccccc1O 2023779878 QUSQOXVAVVGEHX-GZMMTYOYSA-N 306.150 3.216 10 10 DGCE CN(c1ccc(CN)c(Br)c1)[C@@H]1CCCSC1 689583374 AYWZPCNLQFCQEF-GFCCVEGCSA-N 315.280 3.240 10 10 DGCE C[C@H](N)c1ccc(N2CCO[C@H](C)CC2)c(Br)c1 720431661 LIBWWVGKALRMJA-MNOVXSKESA-N 313.239 3.084 10 10 DGCE CC[C@@H](C)n1ncc(C(=O)Nc2ccc(O)c(O)c2)c1C1CC1 2064262480 YHNMNHUHOQVUDV-SNVBAGLBSA-N 315.373 3.395 10 10 DGCE COC(=O)c1cc(CC(C)C)nn1[C@@H](C)c1cccc(C)c1O 2070004509 YHQUJUNDSYPDPI-ZDUSSCGKSA-N 316.401 3.492 10 10 DGCE Cc1ccc(O)c(Cn2nc(C(C)C)c(CN)c2C(F)F)c1 2079014982 MAJMPTCYIPHELO-UHFFFAOYSA-N 309.360 3.465 10 10 DGCE COc1cccc(O)c1CNc1cncc(Br)c1 2042572302 WLDLWYWVZDUMAT-UHFFFAOYSA-N 309.163 3.170 10 10 DGCE Cc1cc(Br)cc(CN(C)[C@]2(C)CCOC2)c1O 2055447430 FQOGQBYGEJBWRK-CQSZACIVSA-N 314.223 3.074 10 10 DGCE CC[C@H](CN(C)c1ccc(CNC)cc1Br)OC 2068257429 UYGUTFZVRYAFMR-GFCCVEGCSA-N 315.255 3.030 10 10 DGCE NCc1ccc(N2CC(SC(F)F)C2)cc1C(F)(F)F 2196690083 BIOGOFZYIDXIRF-UHFFFAOYSA-N 312.307 3.309 10 10 DGCE CCNCc1ccc(N2Cc3conc3C2)c(Br)c1 2104148676 AFYPASMEXBTRNB-UHFFFAOYSA-N 322.206 3.067 10 10 DGCE Cc1cccc(CNc2ncc(Br)cc2N)c1O 2084066165 XPCKOVKMELAVAP-UHFFFAOYSA-N 308.179 3.052 10 10 DGCE CN(C)c1ccc([C@H](N)c2ncc(Br)cc2F)cc1 2111304034 JFYVKRNNUNZLFP-ZDUSSCGKSA-N 324.197 3.097 10 10 DGCE C[C@@H]1CC[C@H]1CNCc1cc(Br)cc(F)c1O 2215006906 CYQNAMVCSHYDGG-BDAKNGLRSA-N 302.187 3.430 10 10 DGCE CNCc1ccc(N2CC[C@H]3C[C@]3(F)C2)cc1Br 2222711245 XXHAILHSWSDZRO-FZMZJTMJSA-N 313.214 3.107 10 10 DGCE CNCc1ccc(N2CCC(OC(F)F)CC2)c(Cl)c1 2239202787 MLMAMTVCAGAWGD-UHFFFAOYSA-N 304.768 3.267 10 10 DGCE CC[C@H]1CN[C@H](C(C)(C)C)CN1Cc1cnc(SC)s1 2284675774 CYNJTEIZFOUYPN-AAEUAGOBSA-N 313.536 3.464 10 10 DGCE Nc1ccc(CC[S@@](=O)CC2(C(F)(F)F)CCC2)cc1 2290356135 AMAGRVGVLILPIR-HXUWFJFHSA-N 305.365 3.293 10 10 DGCE CC1=NN(C)C(=O)C1=Cc1ccc(OCc2ccccc2)cc1 2332116537 YYTXICIGCOXOFC-UHFFFAOYSA-N 306.365 3.497 10 10 DGCE Nc1ccc(NC(=O)Cc2cccc(Br)c2)cc1 50039664 YBERCIHBOIPCBT-UHFFFAOYSA-N 305.175 3.213 10 10 DGCE CC(C)(C)OC(=O)NC1(CCCOc2ccc(N)cc2)CC1 1952756954 KDBDXVQMXYRTCR-UHFFFAOYSA-N 306.406 3.485 10 10 DGCE CCn1c(C)cc(/C=C2\NC(=O)N(c3ccccc3)C2=O)c1C 33312360 KEUJKDKAKDGXCP-WJDWOHSUSA-N 309.369 3.222 10 10 DGCE C[C@H](c1cc(O)ccc1O)N(CCCN)Cc1ccccc1 379451778 KYJZPNFRJJJKML-CQSZACIVSA-N 300.402 3.010 10 10 DGCE CN(Cc1ccccc1O)C(=O)N[C@@H]1CCOc2ccccc21 43165476 VBQOAGUVMXZFTM-OAHLLOKOSA-N 312.369 3.057 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](F)C[C@@H]1c1ccc(N)cc1O 1953062331 FPARQKUJVISDEI-GXFFZTMASA-N 310.369 3.385 10 10 DGCE COc1c([N+](=O)[O-])ccc(CN2CC3(CCC3)C[C@@H]2C)c1O 375717227 FUFHILQTRQHDBI-NSHDSACASA-N 306.362 3.074 10 10 DGCE CC[C@@H](NC1CCC(NC(C)=O)CC1)c1ccc(F)cc1O 286011536 JGPZUCHBQFMOOI-ZBCRRDGASA-N 308.397 3.019 10 10 DGCE O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@H]1[C@H]2CCC[C@H]21 807185136 HYDRTHXDUZHXSC-PEGIJTEDSA-N 315.200 3.297 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCC[C@@H](CCO)CC2)cc1 817419645 VQKXQLINIAYUAE-YWPBOTNQSA-N 302.462 3.250 10 10 DGCE COc1ccc(N2CC[C@@H](CNc3ccnc(C4CC4)n3)C2)cc1 819936257 QQNGIHXAWBMHTR-AWEZNQCLSA-N 324.428 3.301 10 10 DGCE C[C@@H]1CC[C@@H](O)CN1Cc1ccc(N(C)C)cc1C(F)(F)F 817414075 FUYHFQKBVKWKPY-BXUZGUMPSA-N 316.367 3.117 10 10 DGCE Cc1cc(CC(=O)NCc2cccn2C)c(C)n1-c1ccccc1 829360583 YERBKYBBIPZHDR-UHFFFAOYSA-N 321.424 3.292 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@H](CC(C)(C)C)C(=O)O)cc1 901806335 PNKLWKFUIJCZNJ-FYCOFBDGSA-N 304.434 3.245 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)NCC[C@@H](C)F)cc1 836483739 WAWJXMIXYPZPSX-CQSZACIVSA-N 309.429 3.422 10 10 DGCE CCN(CC)c1ccc(CN2CC[C@H](C)[C@H](C(=O)O)C2)cc1 843041560 SFJGTWOMZFIAEZ-WMLDXEAASA-N 304.434 3.075 10 10 DGCE Cc1ccc(O)c([C@@H](C)N[C@@H]2CNCC[C@@H]2c2ccccc2)c1 854223753 VMWWGEYSUCXEEK-SZVBFZGTSA-N 310.441 3.497 10 10 DGCE Cc1noc(C(C)C)c1NC(=O)/C=C\c1ccc(O)c(O)c1 928786070 OSXVWPHJSGQMLT-ALCCZGGFSA-N 302.330 3.170 10 10 DGCE COc1cc(C)cc(CN2CCC[C@@H]2c2cc(C)no2)c1O 754728019 VDFQYPDMPJQDOJ-CQSZACIVSA-N 302.374 3.343 10 10 DGCE CC(C)n1ccc(NC(=O)NCc2cccc(Cl)c2O)n1 931245072 IAKXQXXHZNEIKH-UHFFFAOYSA-N 308.769 3.145 10 10 DGCE CN(CC1C[C@@H]2C[C@H]2C1)c1ccc(CO)c(Br)c1 697844238 KOCKHTXVSGQXAZ-CHWSQXEVSA-N 310.235 3.424 10 10 DGCE Cc1ccc(C(=O)N2CC(C)(C)[C@H]2c2ccco2)c(O)c1O 869786737 BACBQGTZVYGBRO-OAHLLOKOSA-N 301.342 3.223 10 10 DGCE Cc1ccc(O)c(CNC(=O)[C@@H](C)Cn2ncc3ccccc32)c1 862755976 OMEBFRFNNIBBTR-AWEZNQCLSA-N 323.396 3.003 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)c2coc(C(F)F)c2)c1 860242984 XVRUSWJDRXFNAY-MRVPVSSYSA-N 311.284 3.422 10 10 DGCE COCCN([C@@H](C)c1cc(Cl)ccc1O)[C@H](C)COC 133458086 FBVBXBYBRAMHAH-NEPJUHHUSA-N 301.814 3.090 10 10 DGCE C[C@@H](Nc1ncncc1Br)c1ccc(N(C)C)cc1 772301944 XWDCJXAAZLFWBT-SNVBAGLBSA-N 321.222 3.478 10 10 DGCE COC(=O)N1CCC[C@H]([C@@H](C)N[C@@H](C)c2ccc(F)cc2O)C1 775582692 XPBLAHUDKHBNBZ-AGIUHOORSA-N 324.396 3.049 10 10 DGCE Cc1cc(C(=O)N2CC[C@H](C)[C@@H](F)C2)c(C)n1-c1ccccn1 778466869 IJALCKKRCBSBFE-LRDDRELGSA-N 315.392 3.309 10 10 DGCE Cc1cc(Br)c(O)c(CN2CCSCC2)c1 781898235 VYNVQTPLGRLBRU-UHFFFAOYSA-N 302.237 3.012 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)Cc2ccsc2C)c1 787131620 QLQPYSFZJDYSRU-JTQLQIEISA-N 305.399 3.191 10 10 DGCE CC(C)CCOCCNC(=O)c1cc2cc(O)c(O)cc2s1 895940712 XQNWAMPTYKYWFV-UHFFFAOYSA-N 323.414 3.105 10 10 DGCE [N-]=[N+]=NCCCNC(=O)CSCc1ccc(Cl)s1 701271112 SLUKBKVZOFSMQL-UHFFFAOYSA-N 304.828 3.451 10 10 DGCE COc1cc(F)c(C(=O)N(C)Cc2ccccc2O)c(Cl)c1 1137345337 DJYYXBRZVFSFPW-UHFFFAOYSA-N 323.751 3.466 10 10 DGCE CCN(Cc1cc(Br)cc(F)c1O)[C@@H](C)COC 715723773 HDRMRUJMFLSHOZ-VIFPVBQESA-N 320.202 3.151 10 10 DGCE CO[C@@H](C)CN(c1ccc(CO)c(Br)c1)C(C)C 688032603 SSTHDDJQIUFVQM-NSHDSACASA-N 316.239 3.191 10 10 DGCE [N-]=[N+]=NCC1(CNC(=O)Cc2cccc(Br)c2)CC1 2117725179 QZYQNLKQONMABU-UHFFFAOYSA-N 323.194 3.198 10 10 DGCE Cc1ccc(F)c2oc(C(=O)NCc3cccc(O)c3O)cc12 1176576932 UWPNDMOPHGSDKP-UHFFFAOYSA-N 315.300 3.222 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN(Cc2cccc(Br)n2)C1 1912162310 UWEVKKZXJUCWDG-JTQLQIEISA-N 310.199 3.366 10 10 DGCE CC/C(C)=C\C(=O)N[C@H](C)[C@H](C)NCc1ccc(OC)c(C)c1 1275395759 WVRMTNZZHQKILF-WLDSXTBVSA-N 318.461 3.343 10 10 DGCE CS(C)(=O)=Nc1cccc(NC(=O)c2cc(O)cs2)c1 1299205620 IYNNUVAWCMGAHE-UHFFFAOYSA-N 310.400 3.065 10 10 DGCE C[C@H](NC(=O)N1CC[C@@H]2[C@@H](C1)C2(F)F)c1ccc(N(C)C)cc1 1469854161 PRQGKEQBAHFHFP-NILFDRSVSA-N 323.387 3.110 10 10 DGCE Cc1ccc([C@@H](NC(=O)c2cccc(O)c2O)C(F)(F)F)o1 1469541560 GCSZBAXVQRSMLT-GFCCVEGCSA-N 315.247 3.033 10 10 DGCE C[C@H](NCc1ccc(Br)cn1)c1ccccc1O 1474253884 YCXFHNNIMHQECX-JTQLQIEISA-N 307.191 3.401 10 10 DGCE C/C(=C/c1cccc(Cl)c1)C(=O)NCc1ccc(O)cc1O 1626837746 DUNXOZJMDOYDLC-XFFZJAGNSA-N 317.772 3.471 10 10 DGCE O=C1/C(=C\c2ccccc2)SC(=S)N1C[C@H]1CCCO1 5772090 RUYIUTHXMSKCGN-AUWXEVLLSA-N 305.424 3.067 10 10 DGCE CN(C)Cc1ccc(C(=O)NCc2c(O)ccc3ccccc23)o1 1635969633 UPCYFCCMAWCCPG-UHFFFAOYSA-N 324.380 3.130 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)Nc2[nH]nnc2C)c1 1647864868 BNTMRFDKVYQYPE-UHFFFAOYSA-N 309.373 3.081 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc2c(c1)CCCC2=O 1570652007 WJKGLIGHTHVSFT-WEVVVXLNSA-N 323.348 3.269 10 10 DGCE CC(C)(C)Oc1ccccc1CNC(=O)c1cccc(O)c1O 1586993953 URLPTWGXHKWSTJ-UHFFFAOYSA-N 315.369 3.205 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCCC12CN(CCCN=[N+]=[N-])C2 1962302730 BPUWXIYKQPASGZ-GFCCVEGCSA-N 309.414 3.066 10 10 DGCE Cc1cc(C(=O)N2CCOCC23CCC3)c(C)n1-c1ccccc1 152067002 NSHYCSFKOOOFKV-UHFFFAOYSA-N 324.424 3.489 10 10 DGCE Cc1ccc(-n2c(C)cc(C(=O)NC[C@@H]3CCCO3)c2C)cc1 1874030577 DETMUGCBEKVISX-KRWDZBQOSA-N 312.413 3.311 10 10 DGCE Cc1cc([C@@H]2CC(C(=O)Nc3ccc(N)cc3)=NO2)ccc1F 586037886 VFALUSVHMZTDIK-INIZCTEOSA-N 313.332 3.172 10 10 DGCE COc1cccc(CNc2cccnc2Br)c1O 234979813 KEFRYQVOCIWSOF-UHFFFAOYSA-N 309.163 3.170 10 10 DGCE C[C@@H](c1ccccc1O)N(C)C(=O)c1cc(Br)c[nH]1 37996715 MUKYVBXZURRROM-VIFPVBQESA-N 323.190 3.316 10 10 DGCE CC1(C)OCCC[C@H]1NCc1c(O)cccc1Br 1966074144 XXUDOLCYOVGPOZ-CYBMUJFWSA-N 314.223 3.202 10 10 DGCE Oc1cccc(Cl)c1CNCC1(Br)CCC1 1980137231 DMYSNJZZCUPRLZ-UHFFFAOYSA-N 304.615 3.453 10 10 DGCE C[C@H]1CN(Cc2ccc(Br)cc2O)CC1(F)F 1996515713 ZWCZJPLCGUGWNS-QMMMGPOBSA-N 306.150 3.242 10 10 DGCE Oc1cc(Br)ccc1CN1C[C@@H](F)C[C@@H](F)C1 2011406398 SEEQGZQKAUJDFJ-PHIMTYICSA-N 306.150 3.037 10 10 DGCE CNCc1ccc(N2CC[C@H](C)[C@@H](F)C2)c(Br)c1 2034801231 CLVPNBIQMKGBAK-GWCFXTLKSA-N 315.230 3.353 10 10 DGCE CCOCCCN(C)c1ccc([C@@H](C)N)cc1Br 382785452 HVKHZJJFMJPFJJ-LLVKDONJSA-N 315.255 3.332 10 10 DGCE COc1cccc(O)c1[C@@H](C)n1nc(C(C)C)cc1C(=O)O 2070004043 PRSUWGMBINQYFB-SNVBAGLBSA-N 304.346 3.028 10 10 DGCE CNCc1ccc(N(CCOC)[C@@H]2CCSC2)c(Cl)c1 2170132775 RVGOPMUCZOERSP-CYBMUJFWSA-N 314.882 3.018 10 10 DGCE Cc1ccc([C@H](C)n2nc(C3CC3)c(C(N)=O)c2Cl)c(O)c1 2078999583 RPWCLRMRDYAMLT-VIFPVBQESA-N 319.792 3.136 10 10 DGCE CCOC(=O)c1c(C)nn(Cc2cccc(C)c2O)c1C(F)F 2079163022 ZHLGYDSBQHNMRN-UHFFFAOYSA-N 324.327 3.368 10 10 DGCE COc1ccc([C@H](C2CC2)n2nc(C)c(C=O)c2Cl)c(O)c1 2079955625 DDFRPPRRBZGLOO-HNNXBMFYSA-N 320.776 3.371 10 10 DGCE CN(C[C@@](C)(F)C(F)(F)F)c1c(F)cc(CO)cc1F 2191862383 JQYQGWGNZAMPFF-LLVKDONJSA-N 301.230 3.184 10 10 DGCE OCc1ccc(N2CCC23CC(CF)C3)c(Br)c1 2061799757 QKTHYHCYXMDPFR-UHFFFAOYSA-N 314.198 3.270 10 10 DGCE C[C@@H]1CCNC[C@@H]1N(C)Cc1cc(Cl)cc(Cl)c1O 2107359008 KSBBUISUGXIDJX-RNCFNFMXSA-N 303.233 3.129 10 10 DGCE COc1ccc(Br)c(CNCc2ccccc2)c1O 2209045332 GVBRDBWNMJFZHD-UHFFFAOYSA-N 322.202 3.453 10 10 DGCE CC[C@@H](N)Cc1cnc(Sc2nc3ncccc3o2)s1 2234035732 QTLKPZLOZNBTOM-MRVPVSSYSA-N 306.416 3.110 10 10 DGCE C[C@H](Nc1cscc1S(C)(=O)=O)c1ccc(F)cc1O 2288332954 SHIGGQVUYOHMNB-QMMMGPOBSA-N 315.391 3.169 10 10 DGCE COc1cc(N=Nc2ccccc2C(=O)O)cc(C=O)c1O 1081393616 GEDFONNVQGGQRB-UHFFFAOYSA-N 300.270 3.327 10 10 DGCE COc1ccc(O)c(CNC(=O)C=Cc2ccc(Cl)s2)c1 2301551265 FORZSROWZZRHAK-UHFFFAOYSA-N 323.801 3.445 10 10 DGCE Cc1ccc(CN2CCO[C@H](C)[C@@H]2C)c(O)c1Br 2327581197 LNIFEXKVEJXXJD-WDEREUQCSA-N 314.223 3.072 10 10 DGCE O=C(O)C=Cc1ccc(N2C[C@H]3C=C[C@@H]2C3)c(Br)c1 2329318432 IGQJARPJSUPHCW-NWDGAFQWSA-N 320.186 3.312 10 10 DGCE Nc1ccc(CCNC(=O)c2cc(Cl)cn2C2CC2)cc1 63129761 UZICQFBTUHPNOH-UHFFFAOYSA-N 303.793 3.031 10 10 DGCE Cc1ccccc1-n1c(C)cc(C(=O)N[C@@H]2CCC[C@@H]2O)c1C 178604041 PHHTYPPUOJQJIV-AEFFLSMTSA-N 312.413 3.046 10 10 DGCE CCc1nnsc1CN(C)c1ccc([C@H](C)O)c(Cl)c1 2360888826 FUXSASKKQGJVHN-VIFPVBQESA-N 311.838 3.444 10 10 DGCE CN1CCN(c2ccc(CNC3CCCCCC3)cc2)CC1 39129909 ZBYZQWXZFHJFCJ-UHFFFAOYSA-N 301.478 3.251 10 10 DGCE CN(Cc1csc([C@@H]2CCCO2)n1)Cc1ccccc1O 136359623 NQVWBXLQQVJCQU-HNNXBMFYSA-N 304.415 3.332 10 10 DGCE CSCCCCN[C@H](C)c1ccc(N2CCOCC2)cc1 133578616 NQMCBPKUEUYOGW-OAHLLOKOSA-N 308.491 3.317 10 10 DGCE COc1ccc(N(C)Cc2csc([N+](=O)[O-])c2)c(OC)c1 132229710 ZKSTZTIZNLZCFG-UHFFFAOYSA-N 308.359 3.310 10 10 DGCE O=C(/C=C/c1cnc2ccccc2n1)N1CCc2ccc(F)cc21 194900492 VXLBAUFWZLNPMF-BQYQJAHWSA-N 319.339 3.371 10 10 DGCE FC(F)(F)Oc1ccc(N2CCNC3(CCCC3)C2)cc1 86122585 IZLKUPMNJQBSQL-UHFFFAOYSA-N 300.324 3.308 10 10 DGCE CC(=O)N(C(=S)Nc1ccc(F)cc1F)c1ccc(N)cc1 243092605 IXHVBILMEBCEDU-UHFFFAOYSA-N 321.352 3.297 10 10 DGCE C[C@H](O)c1ccc(N(C)[C@@H]2COCCC2(F)F)c(Cl)c1 2168228072 QMLXCUSMXWGEEV-TVQRCGJNSA-N 305.752 3.254 10 10 DGCE CN1CCCc2cc(CNC(=O)C3(C(F)(F)F)CC3)ccc21 726146029 DZTGHTSHWVEHIS-UHFFFAOYSA-N 312.335 3.028 10 10 DGCE CCOC(=O)C(=O)[C@@H](N=Nc1ccccc1)C(=O)c1ccccc1 725437448 NJSWQKBUHFAWBX-HNNXBMFYSA-N 324.336 3.154 10 10 DGCE COc1cccc([C@H](C)NC[C@H]2CC[C@@H](C(F)(F)F)O2)c1O 903176419 OSKOACWASKDMMT-CWSCBRNRSA-N 319.323 3.161 10 10 DGCE CN(C)c1ccc(/C=C\CNC2CCN(CC3CC3)CC2)cc1 835036370 PTUZUTQWNOBVBZ-ARJAWSKDSA-N 313.489 3.230 10 10 DGCE C[C@@H](N[C@H]1CCn2ccnc21)c1cccc(C(F)(F)F)c1O 834831542 JUXLDMKATUXMNN-SKDRFNHKSA-N 311.307 3.403 10 10 DGCE CCN(C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[C@@H]1CCCOC1 845126036 UQGDRMZWYDTNTF-WMLDXEAASA-N 319.449 3.024 10 10 DGCE CCOC(=O)C1CCN(Cc2c(O)cc(C)cc2Cl)CC1 840907279 BJMYWRWKPFVZGM-UHFFFAOYSA-N 311.809 3.129 10 10 DGCE Oc1c(F)cc(Cl)cc1CN1CCCC[C@H]1[C@@H]1CCNC1 841087478 OGGTZBSZPCRDKU-ABAIWWIYSA-N 312.816 3.149 10 10 DGCE Fc1cc(CN2CCC23CCCC3)ccc1N1CCOCC1 845999456 JQQPHHSIEHEMCO-UHFFFAOYSA-N 304.409 3.181 10 10 DGCE CC[C@H](NCCOC1CCOCC1)c1cccc(Cl)c1O 927076374 GPTYPEBNNKCYGH-HNNXBMFYSA-N 313.825 3.282 10 10 DGCE CCN(CC)c1ccc(CNc2cncc(OC)n2)cc1F 754835679 JTRDSKYPIGBLJL-UHFFFAOYSA-N 304.369 3.083 10 10 DGCE C[C@H](NC(=O)N[C@@H](C1CCC1)[C@@H]1CCCO1)c1ccccc1O 868988706 AZIIZEGSKZSRHV-ZLIFDBKOSA-N 318.417 3.100 10 10 DGCE C[C@H](Nc1cnn(C)c1C1CC1)c1cc([N+](=O)[O-])ccc1O 769979542 GYYYBSXRFHWSMS-VIFPVBQESA-N 302.334 3.084 10 10 DGCE C[C@H](CCc1cccnc1)NCc1ccc(N(C)C)c(F)c1 866247526 AVTGMLDVKCSPEI-CQSZACIVSA-N 301.409 3.398 10 10 DGCE C[C@@H]1CC[C@@]2(CCN(C(=O)/C=C\c3ccc(O)c(O)c3)C2)C1 782110744 LJYQTKMLVFLCFC-MTRFTSAKSA-N 301.386 3.150 10 10 DGCE Cc1sccc1CC(=O)NCc1c(O)ccc2c1CCCC2 787130976 DWABRXVLSTWFCA-UHFFFAOYSA-N 315.438 3.500 10 10 DGCE Oc1c(F)cc(F)cc1CN1CCO[C@@H](c2cccs2)C1 893978126 PDUNPTSXOYGVGN-CYBMUJFWSA-N 311.353 3.305 10 10 DGCE Oc1c(F)cc(Br)cc1CNC1(C(F)F)CC1 715814262 QSOYNRHXRZRFAJ-UHFFFAOYSA-N 310.113 3.181 10 10 DGCE Nc1cccc(Br)c1N[C@H]1CCN(C2CCCC2)C1 2116452147 PJSJYIXAFXUFJH-NSHDSACASA-N 324.266 3.460 10 10 DGCE CC[C@@H](CNC(=O)[C@@H](C)CC)NCc1ccc(OC)c(C)c1 1318503120 OHJNFAIXIUSEJY-BBRMVZONSA-N 306.450 3.034 10 10 DGCE OCc1ccc(N2CC[C@@H](n3cccc3)C2)c(Br)c1 2115189499 GFHHDWXXAVTYDF-CYBMUJFWSA-N 321.218 3.194 10 10 DGCE Cc1onc(CNCc2ccc(N(C)C)cc2)c1Br 2118991392 DNKCUMKNAWJWOW-UHFFFAOYSA-N 324.222 3.101 10 10 DGCE CCON(CC)C(=O)c1ccccc1-n1c(C)cc(C=O)c1C 1171930221 HJBXCIHFYYBDFY-UHFFFAOYSA-N 314.385 3.320 10 10 DGCE COc1ccc(CN[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)cc1C 1621103692 HXVZDMNAKBLEFP-SHTZXODSSA-N 320.433 3.149 10 10 DGCE CN(C(=O)/C=C\c1cnn(C)c1)c1ccc(-c2nccs2)cc1 1275306949 WPVGMQVVQTYTTQ-BAQGIRSFSA-N 324.409 3.220 10 10 DGCE NCc1ccc(N2CC[C@@H]2C(F)(F)F)c(Br)c1 1916194673 MIWXIYVVOXQGSB-SNVBAGLBSA-N 309.129 3.049 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)[C@@H]1CCCCS1 1456306922 AUAJNJCAGPGGKS-INIZCTEOSA-N 301.411 3.447 10 10 DGCE COc1ccc(NC(=O)OC(C)(C)C)cc1[C@@H](CO)N=[N+]=[N-] 1535970511 QYFUNLGHHHIUHP-LLVKDONJSA-N 308.338 3.386 10 10 DGCE COc1cc(Cl)cc(CNCC2CC(C(F)F)C2)c1O 1925158510 VPCWEDRJCHWXSS-UHFFFAOYSA-N 305.752 3.435 10 10 DGCE O=C(NCc1c(O)cccc1F)NC[C@H]1C[C@@H]1C1CCCC1 1565481153 HWFWONKZMARMBR-CHWSQXEVSA-N 306.381 3.157 10 10 DGCE CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NCc1cc(O)ccc1O 1643882189 PVAYOMBIWUOXHI-VMGRFDJRSA-N 321.417 3.088 10 10 DGCE O=C(Nc1cccc2ccc(O)cc12)c1c(F)ccc(O)c1O 1650896689 GEHWFSZEFSCMBO-UHFFFAOYSA-N 313.284 3.348 10 10 DGCE COc1ccc(CN[C@@H](C)CNC(=O)C[C@H](C)C2CC2)cc1C 1774049059 BIAWCNVFHDWCIO-ZFWWWQNUSA-N 318.461 3.034 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H]2CN(CCCN=[N+]=[N-])CC[C@H]21 1962301126 UHUMEJSRTXKOGZ-QWHCGFSZSA-N 309.414 3.018 10 10 DGCE [N-]=[N+]=NCCNC(=O)c1cccc(Br)c1Cl 160422101 YTQUDCARYAZCTP-UHFFFAOYSA-N 303.547 3.143 10 10 DGCE CC[C@@H](N[C@@H]1C[C@H]1COC)c1cc(Br)ccc1O 1875837201 QUWTZFTUTPNAOF-ZWKOPEQDSA-N 314.223 3.230 10 10 DGCE C[C@@H](O)c1cnc(SCCCNC(=O)OC(C)(C)C)s1 1883323456 OHBZVJKLOJNOJW-SECBINFHSA-N 318.464 3.203 10 10 DGCE CN1CCCc2cc([C@](C)(N)COCc3ccccc3)ccc21 1977933601 FTWQZKGUGGIQBY-HXUWFJFHSA-N 310.441 3.460 10 10 DGCE CN(c1ccc(N)cc1)[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 1977970247 KVMIPHJJDKEZIP-CZUORRHYSA-N 319.449 3.398 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1C[C@@H]2Nc1ccc(N)cc1 1978675697 FTEZQHLMRFVFFB-KNPMLCFXSA-N 317.433 3.373 10 10 DGCE C[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)CN1c1ccc(N)cc1 1988712826 YXPXSXKCHLRPHE-ZDUSSCGKSA-N 319.449 3.493 10 10 DGCE CC(C)(C)OC(=O)NC[C@]1(F)C[C@H](COc2ccc(N)cc2)C1 1992454231 HLNCRFANNTVIDL-QASKLWRZSA-N 324.396 3.291 10 10 DGCE CSC1CN(c2c(F)cc(CNC(C)(C)C)cc2F)C1 2153906376 DVEGVRHZZXEFIY-UHFFFAOYSA-N 300.418 3.405 10 10 DGCE CNCc1cc(F)c(N2CC(SC(C)(C)C)C2)c(F)c1 2153908402 YOVCTRCCBJBVIM-UHFFFAOYSA-N 300.418 3.405 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)c2ccc(Br)o2)CC1 2038002809 PSDMHLBASUVUFI-QMMMGPOBSA-N 313.155 3.347 10 10 DGCE C[C@H](c1cc(Br)ccc1O)N(C)[C@@H]1CCCOC1 401554545 CAOJSGFOZCGNGC-ZYHUDNBSSA-N 314.223 3.327 10 10 DGCE CNCc1cc(F)c(N(C)[C@@H]2CC[C@@H](C)SC2)c(F)c1 689581388 AQTFLZJCIJRKDL-ZYHUDNBSSA-N 300.418 3.405 10 10 DGCE CCOC(=O)c1cc(C(C)C)nn1Cc1cccc(C)c1O 2069906572 YWYQEBKCASEFGL-UHFFFAOYSA-N 302.374 3.246 10 10 DGCE CC[C@H](c1ccc(C)cc1O)n1nc(C2CC2)c(C(=O)O)c1N 2078999243 MKJOIVIAFBYWII-GFCCVEGCSA-N 315.373 3.054 10 10 DGCE Cc1nn(Cc2cccc(Br)c2O)c(N)c1C(C)C 2080078789 YEKKOKFADVCBJV-UHFFFAOYSA-N 324.222 3.414 10 10 DGCE CN(c1ccc(CN)cc1F)[C@H]1CS[C@@H](C(F)(F)F)C1 2189455055 SMOLOXPRUFZWKT-BXKDBHETSA-N 308.344 3.157 10 10 DGCE CC[C@H](CN(C)c1ccc([C@H](C)O)cc1Br)OC 2068156834 DECGPYPJDVYGTP-CMPLNLGQSA-N 316.239 3.364 10 10 DGCE C[C@@H](N)c1cc(F)c(N2CCC(=CBr)C2)c(F)c1 2074227057 UCYPZBUAAZHURE-MRVPVSSYSA-N 317.177 3.473 10 10 DGCE NCc1ccc(N2CC[C@H]3C=C[C@H]2C3)c(F)c1Br 2078714324 MFHJQXWLHBJREX-KOLCDFICSA-N 311.198 3.202 10 10 DGCE Nc1ccc(CC[C@H](O)c2nc(C(F)(F)F)cs2)cc1 2234782619 AYMYRQRUTRTEPW-JTQLQIEISA-N 302.321 3.410 10 10 DGCE Cc1cc(O)c([C@H](C)N(C)[C@@H]2COCC2(F)F)cc1Cl 2286444727 OZJURGNQOCRAIV-TVQRCGJNSA-N 305.752 3.381 10 10 DGCE Cc1ncc(C=CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)s1 2297540734 QXXIZPXKEMQRRW-UHFFFAOYSA-N 303.343 3.036 10 10 DGCE COc1ccc(N(C)C(=O)/C=C\c2ccc(C)nc2)cc1OC 492429828 RZMDFTJFBVBHMM-YFHOEESVSA-N 312.369 3.083 10 10 DGCE COC(=O)Cc1nc2c(C)cccn2c1N=Nc1ccccc1O 2320767545 IIEKTJFRINOCHP-UHFFFAOYSA-N 324.340 3.479 10 10 DGCE Cc1ccc(CN[C@@H](C)c2ccon2)c(O)c1Br 2327792972 PYETWKPERKAWNE-VIFPVBQESA-N 311.179 3.302 10 10 DGCE Cc1ccnc(CN(C)c2ccc(CO)c(Br)c2)c1 2343512520 VWKFDKMUNJXLDP-UHFFFAOYSA-N 321.218 3.281 10 10 DGCE Cc1ccc(CNC(=O)[C@@]23CCC[C@H]2C3)c(O)c1Br 2352638220 VNNQSIFJVZFWPL-XHDPSFHLSA-N 324.218 3.270 10 10 DGCE Cc1ccc(CN2C[C@@H]3CCC[C@@H]3C2=O)c(O)c1Br 2352656848 MOJCEFWILNGUSV-JQWIXIFHSA-N 324.218 3.222 10 10 DGCE Cc1ccc(N2C(=O)CN(Cc3cccs3)C2=S)c(C)c1 216330 JMQXVBVURFPHAR-UHFFFAOYSA-N 316.451 3.499 10 10 DGCE Oc1c(Br)ccc(Br)c1[C@H]1CCCN1 306204809 OAJNSNLGVQBZAB-MRVPVSSYSA-N 321.012 3.342 10 10 DGCE CC1(C)CCC[C@@H](CC(=O)NCCc2ccc(O)c(O)c2)C1 122563905 OPAMTFFCXIAGMJ-AWEZNQCLSA-N 305.418 3.363 10 10 DGCE CCO[C@@H]1C[C@H](N[C@@H](C)c2ccc(F)cc2O)C12CCOCC2 186318444 MIYXPIWMMFSLGS-AFAVFJNCSA-N 323.408 3.156 10 10 DGCE Oc1cccc(Cl)c1CNc1ccc2c(c1)OCCNC2 530181553 MAHZRQWWCJIDFE-UHFFFAOYSA-N 304.777 3.140 10 10 DGCE Cc1ncc2c(n1)CC[C@H](NCc1cc(Cl)cc(C)c1O)C2 367694330 QOVNKRAYSHSHLG-HNNXBMFYSA-N 317.820 3.100 10 10 DGCE CC[C@H](NCCCNCc1cccnc1)c1ccc(F)cc1O 817942027 XBNRZFGILVDEAG-KRWDZBQOSA-N 317.408 3.147 10 10 DGCE C[C@H](N[C@H](C)[C@H](C)N)c1cc(Br)cc(Cl)c1O 817977921 RLCBXDOUIJZAGX-RNJXMRFFSA-N 321.646 3.194 10 10 DGCE Cc1ncccc1/C=C/C(=O)NCCCSc1nccs1 823297277 AQYNEHRXANGNKZ-AATRIKPKSA-N 319.455 3.158 10 10 DGCE Cc1ccc(O)c(CN2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c1 824636471 QRRXUISUBNFAKA-HKUYNNGSSA-N 315.388 3.001 10 10 DGCE Cc1ccc(C(=O)N2CC3(CCC3)[C@@H]2c2ccco2)c(O)c1O 837015323 MKAYAHTYSAPFMU-INIZCTEOSA-N 313.353 3.367 10 10 DGCE CCOC(=O)C1=CC[C@H](N[C@H](C)c2cc(Cl)ccc2O)C1 858505750 PMSJHAISZFEMIX-MFKMUULPSA-N 309.793 3.348 10 10 DGCE CC[C@@H](NC[C@@H]1CCC2(CCOCC2)O1)c1ccc(C)cc1O 927017066 VQGHJCUBEKIFAK-DOTOQJQBSA-N 319.445 3.470 10 10 DGCE CC[C@@H](CCOC)OC(=O)c1cc(C)n(-c2ccccn2)c1C 754585831 SOGKTQZQIIXFKU-HNNXBMFYSA-N 316.401 3.461 10 10 DGCE C[C@@H](N[C@H]1CCCN(C)C1)c1ccc(Cl)c(Cl)c1O 756442619 FLHNXJKSNWTHJS-ZJUUUORDSA-N 303.233 3.444 10 10 DGCE CCOc1ccc(CN2CC[C@@H](C(C)(C)C)[C@H](O)C2)c(O)c1 757864680 BTCHDWOVSPWHEI-NVXWUHKLSA-N 307.434 3.020 10 10 DGCE CCOc1cccc(CN2CCC[C@@]3(CCCOC3)C2)c1O 769485198 LUFRJDUVELMBIS-GOSISDBHSA-N 305.418 3.184 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@@H](C)O[C@@H]1C 864949036 FQQBWSMWJAPWHE-RKVPGOIHSA-N 318.461 3.303 10 10 DGCE C[C@H](NC(=O)N[C@@H]1CCCc2occc21)c1ccccc1O 868033826 OEIQGUPJIGODFK-SMDDNHRTSA-N 300.358 3.423 10 10 DGCE COc1ccc2ccc(O)c(CN3CCO[C@H](C4CC4)C3)c2c1 776773657 USESXCCVQSYXDP-IBGZPJMESA-N 313.397 3.165 10 10 DGCE C[C@H]1[C@@H](Nc2c(N)cccc2F)CCN1C(=O)OC(C)(C)C 1959359276 HSBZCHSBJRTDLX-GWCFXTLKSA-N 309.385 3.218 10 10 DGCE COc1cc(Cl)cc(CNc2ccc(CC(=O)O)cc2)c1O 76274100 VZNFRLHIKBBLHR-UHFFFAOYSA-N 321.760 3.293 10 10 DGCE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1Nc1ccc(N)cc1 1959370245 FBARRJKSNCGNBP-IUODEOHRSA-N 305.422 3.326 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)c2csc(Cl)n2)c1 781924265 AUTSTNMAIKSEAU-SSDOTTSWSA-N 312.778 3.002 10 10 DGCE COc1cc(C)cc(CN[C@@H](C2CC2)[C@H]2CCCCO2)c1O 895182301 CBKMWBMHDLJMDG-WBVHZDCISA-N 305.418 3.147 10 10 DGCE COC(=O)/C=C/c1ccc(N2CC(C)=C[C@H](C)C2)c([N+](=O)[O-])c1 797438744 HGXZKRQHQYCGHG-PZBABLGHSA-N 316.357 3.183 10 10 DGCE CCNCc1ccc(OC)c(C[S@@](=O)c2cccs2)c1 84030540 CORSUSYXXFJIRI-FQEVSTJZSA-N 309.456 3.174 10 10 DGCE Cn1nccc1[C@@H]1CCCCN1Cc1cc2c(cc1O)CCC2 799151091 TVPONLHHTHVPOK-SFHVURJKSA-N 311.429 3.342 10 10 DGCE CSc1cccc(C(=O)NCc2cccc(Cl)c2O)n1 1159041106 DBTLMIQWLKGWRA-UHFFFAOYSA-N 308.790 3.093 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@@]1(C)CC1(C)C 1312883731 DPRWUTUKOJPVJO-KUHUBIRLSA-N 317.477 3.480 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)/C(F)=C(/C)C2CC2)cc1 1164597936 WTWFPJRYCNRCFK-GHRIWEEISA-N 320.408 3.243 10 10 DGCE COc1ccc(CN[C@@H]2CC[C@H](CNC(=O)C(C)C)C2)cc1C 1316646215 OXNFXFNZZGSMQF-DLBZAZTESA-N 318.461 3.034 10 10 DGCE Cc1oc(NC(=O)c2ccc(N=NC(N)=O)cc2)nc1C1CC1 1179412543 BDAGVQVARXZWGI-UHFFFAOYSA-N 313.317 3.275 10 10 DGCE CO[C@H]1CCN(c2ccc([C@@H](C)N)cc2Br)[C@H]1C 1914271592 IUISRWSGKSDPHM-BFVZDQMLSA-N 313.239 3.082 10 10 DGCE CC1(C)CCc2nc(NC(=O)c3cccc(O)c3O)sc2C1 1299496973 SWEFTWDLLUGPEG-UHFFFAOYSA-N 318.398 3.322 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@]1(C)CC1(C)C 1479197500 FJDWMUKHQPOFLC-GOSISDBHSA-N 303.450 3.330 10 10 DGCE COc1cccc(CNC(=O)NCC[C@H]2CCCC2(C)C)c1O 1479016676 DEEBWFDSEXPUKD-CQSZACIVSA-N 320.433 3.416 10 10 DGCE Cc1ccccc1C(C)(C)CNC(=O)c1ccc(C)c(O)c1O 1546180079 GTRWMNJRYCYRKM-UHFFFAOYSA-N 313.397 3.422 10 10 DGCE CCN(CC)CCCN(Cc1ccc(N(C)C)cc1)C1CC1 1657023751 OZGNZQJGMPZNCV-UHFFFAOYSA-N 303.494 3.449 10 10 DGCE CN(CCCN=[N+]=[N-])[C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 1962286954 DSGKKGXLFFHFJE-QWHCGFSZSA-N 311.430 3.312 10 10 DGCE Cc1ccc(O)c(CNC(=O)NCc2cc(O)ccc2Cl)c1 1684891176 ZBWGBKIOBCQVDU-UHFFFAOYSA-N 320.776 3.059 10 10 DGCE CN(C(=O)OC(C)(C)C)C1(C)CCN(CCCN=[N+]=[N-])CC1 1962304102 LHVVACBAAFMIKA-UHFFFAOYSA-N 311.430 3.408 10 10 DGCE CCSC1=NSC2=NC(=O)/C(=C\c3cccs3)C(=N)N12 13121980 TUTKATCJEVNJKG-IOAGGNQZSA-N 322.440 3.078 10 10 DGCE Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cccc(F)n1 160579640 QJIIHFZYBJJHBO-UHFFFAOYSA-N 310.288 3.037 10 10 DGCE CCN(CC)CCCN=NNc1cc(OC)c(OC)c(OC)c1 1860493879 GKGRBJOEOAVLAH-UHFFFAOYSA-N 324.425 3.223 10 10 DGCE Cc1ccc([C@H](c2ccc(N(C)C)cc2)N2CCNCC2)cc1 19931564 QTDBUURBKOMWNN-HXUWFJFHSA-N 309.457 3.056 10 10 DGCE C[C@H](NCc1ccc(Br)cc1O)[C@@H]1CCSC1 1942256149 LHWYXDLNGWGGIH-GXSJLCMTSA-N 316.264 3.386 10 10 DGCE Oc1c(F)cc(Br)cc1CNCC=CC1CC1 1940192714 XGDCXGCWWILYPS-UHFFFAOYSA-N 300.171 3.350 10 10 DGCE C[C@@H]1SCCS[C@H]1c1noc(-c2ccc(O)c(O)c2)n1 235296521 UXFZGWRCDQPDAB-WRWORJQWSA-N 310.400 3.057 10 10 DGCE Cc1cccc(OCC(=O)N(c2ccc(N)cc2)C2CC2)c1C 1857927010 OODLJUJFFQYBQR-UHFFFAOYSA-N 310.397 3.460 10 10 DGCE C[C@@H]1[C@@H](CNCc2cccc(Br)c2O)C1(F)F 1947978041 IKJYVCIRVBKDOH-VXNVDRBHSA-N 306.150 3.146 10 10 DGCE CN(C)c1ccc([C@@H]2C(=O)CCN2C(=O)OC(C)(C)C)cc1 1951799408 PVSPFHAQJSZOOH-OAHLLOKOSA-N 304.390 3.004 10 10 DGCE Cc1ccc([C@@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)O)c(O)c1 1951858425 WLJHZHZQFKJVFO-CYBMUJFWSA-N 323.389 3.377 10 10 DGCE N[C@@H]1CC[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3O)C[C@H]2C1 1969033609 FVJQQKIUHUGQDM-GIPNMCIBSA-N 315.244 3.258 10 10 DGCE CN(C)c1ccc([C@H](N)c2cnn(Cc3ccccc3)c2)cc1 1977946630 WMHSUQCSGTYMFX-IBGZPJMESA-N 306.413 3.046 10 10 DGCE CN(C)c1ccc([C@H](N)C2(N(C)C(=O)OC(C)(C)C)CC2)cc1 1977944666 JBMATIYYQRRJKL-HNNXBMFYSA-N 319.449 3.152 10 10 DGCE C[C@@H](CNC(=O)OC(C)(C)C)C[C@H](O)c1ccc(N(C)C)cc1 1977957432 FJHWZSDNXYYQLP-CJNGLKHVSA-N 322.449 3.337 10 10 DGCE COC(=O)[C@H](CC(C)C)NCc1cc(Cl)cc(Cl)c1O 36981024 YUKHYRNGFYWGTB-LBPRGKRZSA-N 320.216 3.376 10 10 DGCE CC[C@@H]1COC[C@H]1N(C)Cc1c(O)cccc1Br 707171273 JLWXXLFPELUSJC-ZWNOBZJWSA-N 314.223 3.012 10 10 DGCE NCc1ccc(N2CCC[C@@H](CF)C2)c(Br)c1 711483007 UNZGYWRNWLOLIH-NSHDSACASA-N 301.203 3.094 10 10 DGCE CN(CCCF)c1ccc(CNC2CC2)c(Br)c1 716825773 HCLWLWCPEGTBGV-UHFFFAOYSA-N 315.230 3.497 10 10 DGCE CNCc1cc(C2CCCC2)nn1Cc1cccc(OC)c1O 2070085663 PXUPMUIRKZCALA-UHFFFAOYSA-N 315.417 3.023 10 10 DGCE CCc1nn(Cc2cc(Cl)ccc2O)c(N)c1C(F)(F)F 2079647522 FKHKCRJMHGTVTB-UHFFFAOYSA-N 319.714 3.454 10 10 DGCE Cc1c(C2CC2)nn(Cc2cc(Br)ccc2O)c1N 2079744661 HIICZGDQJODJSW-UHFFFAOYSA-N 322.206 3.168 10 10 DGCE C[C@H](N(C)c1ccc(CN)cc1F)C(F)(F)C(F)(F)F 2182436866 LEENOZHLLMOKFF-ZETCQYMHSA-N 300.246 3.307 10 10 DGCE C[C@H](NCc1nn(C)c(Cl)c1Cl)c1ccccc1O 2094366139 MZVSONAGGSOHTB-QMMMGPOBSA-N 300.189 3.283 10 10 DGCE COc1ccc(Br)c(CN[C@]23CCC[C@@H]2C3)c1O 2220462918 STHTVPGEQZFXGE-OTYXRUKQSA-N 312.207 3.196 10 10 DGCE C[C@@H](c1cc(Cl)ccc1O)N1CCO[C@@H](P(C)(C)=O)C1 2289221852 KMKISXUJBCZNML-HZMBPMFUSA-N 317.753 3.388 10 10 DGCE CSc1ncc(CN=c2ccc3cc(N)ccc3[nH]2)s1 2284700781 WMJFNHPHBKBMFP-UHFFFAOYSA-N 302.428 3.029 10 10 DGCE O=C(O)c1cc2nc(N=Nc3ccccc3)[nH]c2cc1C(=O)O 2295012742 FZGMOVGZYQQPRB-UHFFFAOYSA-N 310.269 3.375 10 10 DGCE COc1ccc(N(C)C(=O)C=Cc2scnc2C)c(OC)c1 2310107274 RWDBGBXNFFCJJB-UHFFFAOYSA-N 318.398 3.145 10 10 DGCE O=C(O)Cc1nc2ccccn2c1N=Nc1ccc(C(=O)O)cc1 2320767499 HLILJNUAUPQUQC-UHFFFAOYSA-N 324.296 3.075 10 10 DGCE C[C@H](CN(C)Cc1ccccc1)N[C@H](C)c1c(O)cccc1O 309932207 ZOKBZKXSUOWYOG-HUUCEWRRSA-N 314.429 3.269 10 10 DGCE COc1ccc(CNCCCN(C)Cc2ccccc2)c(O)c1 64621138 WGMPWBCOTBDAKA-UHFFFAOYSA-N 314.429 3.013 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)N(C)c2ccc(F)cc2)c1 176666754 OOXNSAIDLQDRTE-LLVKDONJSA-N 318.348 3.447 10 10 DGCE Nc1ccc(OCCC(=O)N(Cc2ccccc2)C2CC2)cc1 302909538 QXSYOPMTGNDJLL-UHFFFAOYSA-N 310.397 3.229 10 10 DGCE Cc1cc(O)c([C@@H]2C[C@@H](N)CN2C(=O)OC(C)(C)C)cc1C 1953030446 CJLIKRNUQXLMDQ-OCCSQVGLSA-N 306.406 3.018 10 10 DGCE Nc1ccc(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 37018487 XUKWLSRXWJDWHF-UHFFFAOYSA-N 305.721 3.012 10 10 DGCE CCOC(C)(C)CN[C@@H](C)c1ccc(N2CCC(O)CC2)cc1 188692343 MJYQLAKQUQCGMU-HNNXBMFYSA-N 320.477 3.113 10 10 DGCE Cc1cc2c(n1-c1ncccc1Br)CCCC2=O 88447428 FKXWEXSOJPUXPK-UHFFFAOYSA-N 305.175 3.462 10 10 DGCE CNCC[C@@H]1CCCCN1Cc1cc(Cl)cc(OC)c1O 229103927 VZPUMSVHSRRNTA-AWEZNQCLSA-N 312.841 3.018 10 10 DGCE CC[C@H](C)CN(CC)c1cc2c(cc1Cl)[C@H](NC)C(=O)N2 93251313 BHOAGDRWDCNYSP-BONVTDFDSA-N 309.841 3.425 10 10 DGCE CN[C@@](CO)(CSc1nccs1)C1CCCCCC1 2142998799 QIXXOZIHPMPACH-AWEZNQCLSA-N 300.493 3.156 10 10 DGCE CN1CC[C@H](NCc2ccc(N3CCCC3)cc2)[C@@H]2CCC[C@@H]21 367615550 LIFCDHOHLJOCRG-UFYCRDLUSA-N 313.489 3.249 10 10 DGCE COc1ccc(O)c(CNc2cc(OC)cc(OC)c2C)c1 800529351 KMEUJVOCCPKHEC-UHFFFAOYSA-N 303.358 3.339 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1cc(C)ccc1C 808095338 CEJVPZIQKREMEW-UHFFFAOYSA-N 318.413 3.354 10 10 DGCE C[C@@H]1SCCS[C@@H]1[C@@H](N)c1ccc2c(c1)CCCN2C 2163096979 KEWJNTGMPOXKRB-UVBJJODRSA-N 308.516 3.306 10 10 DGCE CCOCc1nc([C@@H](C)N[C@@H](C)c2cc(C)ccc2O)no1 290113705 IWZZQKZJWYZALU-NWDGAFQWSA-N 305.378 3.032 10 10 DGCE O=C(O)/C=C\c1ccc(N2C[C@H]3CSC[C@H]3C2)cc1Cl 711574655 YDNCKDJXZHDWMG-AGQFFEFTSA-N 309.818 3.237 10 10 DGCE Cc1cc(Cl)cc([C@@H](C)N[C@@H]2CCc3nc[nH]c3C2)c1O 810252777 JAGDGZACBXOBJP-ZYHUDNBSSA-N 305.809 3.285 10 10 DGCE C[C@@H]1CCCN(c2ccc(CNC[C@@H](O)C3CC3)cc2Cl)C1 819290785 MHXMYVLCGQSGBV-FZKQIMNGSA-N 322.880 3.437 10 10 DGCE COc1cc(Cl)cc(CN2CCO[C@@](C)(C3CC3)C2)c1O 826878130 UHUNUNFMLNXGKM-MRXNPFEDSA-N 311.809 3.055 10 10 DGCE c1cc(N2CCOCC2)ccc1CNC1C[C@H]2CCC[C@@H]2C1 902761377 OXTDFCVXPPPGAQ-IAGOWNOFSA-N 300.446 3.192 10 10 DGCE CO[C@H](COc1ccc2c(c1)c(C)c(C)n2C)[C@@H]1CCOC1 664097936 HWOURQVOZDOYEZ-RDTXWAMCSA-N 303.402 3.225 10 10 DGCE CC(C)O[C@]1(CN[C@H]2C[C@H](C)c3c(F)ccc(O)c32)CCOC1 903357237 LJLUCJYYOZYPSL-YEWDVWPNSA-N 323.408 3.253 10 10 DGCE Cc1ccc(O)c(CN2CCC[C@H]2COc2cccnc2C)c1 841897009 SISAHJQKWKGOEL-KRWDZBQOSA-N 312.413 3.447 10 10 DGCE C[C@H]1CN(C/C=C\c2ccc(N(C)C)cc2)CC2(CCC2)O1 843431702 BUBJQFCCUMSJIB-LEXSJLIMSA-N 300.446 3.409 10 10 DGCE Cc1ccc(C(=O)CCC(=O)NCc2ccccc2O)cc1C 748349602 IAXLBJJTPWFVJO-UHFFFAOYSA-N 311.381 3.288 10 10 DGCE CN1CCN(c2ccc(CN(C)C[C@@H]3CC=CCC3)cc2)CC1 753574738 DQFBGSPQGZBJSK-GOSISDBHSA-N 313.489 3.227 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@]1(C)CCCO1 755173718 JHHLHTXHYQIQPZ-GOSISDBHSA-N 304.434 3.059 10 10 DGCE CCN(CC)c1ccc(CNCc2cnn3c2CCC3)cc1F 850128525 DBTCAQJCAFBMAC-UHFFFAOYSA-N 316.424 3.104 10 10 DGCE CC[C@@H](N[C@H]1CC=C(C(=O)OC)C1)c1cccc(Cl)c1O 858471149 BMZVUXAIWIOJML-SMDDNHRTSA-N 309.793 3.348 10 10 DGCE Cc1ccsc1[C@H](CO)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O 756736925 PXUVVWWBMSKBTA-GWCFXTLKSA-N 322.386 3.055 10 10 DGCE C[C@H](O)[C@@H](NC/C=C\c1ccc(N(C)C)cc1)c1ccccc1 850419850 HZKXGZLGJDRDLA-ADELNMMNSA-N 310.441 3.478 10 10 DGCE COc1ccc(N2CCC(N[C@@H]3CC[C@H]3SC)CC2)cc1 766600827 GVUSPJLGNWSBLD-IAGOWNOFSA-N 306.475 3.148 10 10 DGCE C[C@@H]1CC2(CCC2)CN1C(=O)NCc1ccc(N(C)C)cc1 761573152 WAMMSCPWBRXYMQ-CQSZACIVSA-N 301.434 3.227 10 10 DGCE CC(=O)c1cc(F)cc(CN[C@@H]2CCOC23CCCCC3)c1O 933876074 ZRMRNXXORQQAEH-MRXNPFEDSA-N 321.392 3.315 10 10 DGCE CCN(CC)c1ccc(CNc2nnc(COC)s2)cc1 763330146 QDQDZAQMVICBFJ-UHFFFAOYSA-N 306.435 3.143 10 10 DGCE COC(=O)c1ccc(O)c([C@@H](C)NCC2(OC(C)C)CCC2)c1 872117142 ZAMSECDIVZHLBV-CYBMUJFWSA-N 321.417 3.177 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H](CCNc2ccc(N)cc2)C1 1959376996 HUNIPKCUGWRKLD-CYBMUJFWSA-N 305.422 3.328 10 10 DGCE CCC[C@@H](C)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 773145666 KWLFETKJZKOCNO-QGZVFWFLSA-N 315.505 3.497 10 10 DGCE Nc1cccc(Cl)c1N[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21 398305533 PCJHAVQVQGVJJM-HALDLXJZSA-N 313.832 3.465 10 10 DGCE CC1(C)SC[C@H]1NCc1c(O)cccc1Br 706881109 NFGRJRXFWAZKRH-LLVKDONJSA-N 302.237 3.138 10 10 DGCE C[C@H](O)C(C)(C)NCc1cc(Cl)cc(Br)c1O 708100166 SLYDGESXEBDBPZ-ZETCQYMHSA-N 322.630 3.057 10 10 DGCE C[C@@H](N[C@@H]1CCCC2(C1)OCCO2)c1ccc(N(C)C)cc1 715640433 PTYOJYUFYMAFGZ-GDBMZVCRSA-N 304.434 3.089 10 10 DGCE C[C@H](NC(=O)[C@@](C)(O)c1ccc(Cl)cc1)c1ccccc1O 1302538323 NKJWRWMQLCSDTP-GTNSWQLSSA-N 319.788 3.131 10 10 DGCE C[C@@H](NC(=O)NCCc1cccc2[nH]ccc12)c1ccccc1O 1312581350 CQRJPBCZSLYEMU-CYBMUJFWSA-N 323.396 3.476 10 10 DGCE CO[C@H]1CCN(c2ccc([C@@H](C)N)cc2Br)[C@@H]1C 1914271599 IUISRWSGKSDPHM-RULNRJAQSA-N 313.239 3.082 10 10 DGCE COC1(C(=O)NCc2cc(Cl)ccc2O)CCCCCC1 1469877510 PUTHGDAMFRSJRG-UHFFFAOYSA-N 311.809 3.401 10 10 DGCE CN(C)c1ccc(CNC(=O)c2cc3c(cc2O)CCCC3)cc1 1463727749 UPZPEBYWQZDLMZ-UHFFFAOYSA-N 324.424 3.267 10 10 DGCE Cc1ccc(C(=O)NCc2c(O)cccc2F)c2ncccc12 1471975888 LKBWETSIVNGXIF-UHFFFAOYSA-N 310.328 3.318 10 10 DGCE COc1cc(C)nc(N(C)Cc2ccc(N3CCCC3)cc2)n1 1472649146 TUFWHHDLKQFBPR-UHFFFAOYSA-N 312.417 3.030 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)NCC[C@@H](C)N(C)C 1629042570 NYLSGXPYPWZFRD-GFCCVEGCSA-N 319.474 3.226 10 10 DGCE CC/C=C(\C)C(=O)NC[C@H](CC)NCc1ccc(OC)c(C)c1 1481794187 NDOZZVUCCBXLDL-AAKUMTKESA-N 318.461 3.344 10 10 DGCE C=C/C=C\CCNC(=O)NCc1ccc(N(CC)CC)cc1 1629811984 MPYBNXUBAYNKON-FPLPWBNLSA-N 301.434 3.464 10 10 DGCE COC(=O)c1cc(Sc2nccs2)c([N+](=O)[O-])cc1F 122112279 KEWBSDRLIBOKNJ-UHFFFAOYSA-N 314.319 3.128 10 10 DGCE CCC1(C(=O)NC[C@H](C)CNCc2ccc(OC)c(C)c2)CC1 1568190444 JPXDQPCSYYOESY-CQSZACIVSA-N 318.461 3.036 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2cc(Cl)cc(F)c2N)c1 1641733303 QFEQIVOYJJALNC-UHFFFAOYSA-N 308.740 3.005 10 10 DGCE C[C@H](NC(=O)c1cc(F)c(F)c(O)c1F)c1ccccc1O 1642830817 JORNFVFQKNTNDZ-ZETCQYMHSA-N 311.259 3.006 10 10 DGCE Cc1ccnc(-c2cccc(NC(=O)c3cc(O)cs3)c2)n1 1585898577 JVFJYYKIDKPEOG-UHFFFAOYSA-N 311.366 3.471 10 10 DGCE O=Cc1cnc(Sc2ncccc2Br)s1 1934295157 PUYVWBDVGLJGRX-UHFFFAOYSA-N 301.190 3.264 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(CCCN=[N+]=[N-])C2 1962287637 LHYHTNIYNLZGTO-AVGNSLFASA-N 309.414 3.064 10 10 DGCE C[C@H]1CN(CCCN=[N+]=[N-])C[C@@H]1CCNC(=O)OC(C)(C)C 1962304650 OFBUPDORPOQNQY-STQMWFEESA-N 311.430 3.170 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H](C[C@@H](N)c2ccccc2O)C1 1936971484 WSGQIJOMJIAUTE-UKRRQHHQSA-N 320.433 3.429 10 10 DGCE CN(CC1(O)CCCC1)c1ccc(CNC2CC2)cc1Cl 161871958 KBXKJHHTAPDZBP-UHFFFAOYSA-N 308.853 3.333 10 10 DGCE Cn1cc(NC(=O)CCn2c3c(c4ccccc42)CCCC3)cn1 1850001325 XCHKWACGJHVLRB-UHFFFAOYSA-N 322.412 3.282 10 10 DGCE CC(C)(C)c1ccc(/C=C2/SC(=S)N(CCO)C2=O)cc1 1858588188 UODCDYBIXZHMTE-JLHYYAGUSA-N 321.467 3.178 10 10 DGCE CCC1=NN(Cc2cccc(F)c2)C(=O)/C1=C/c1cccn1C 1865670796 RQAYSNQTNJHPMH-LFIBNONCSA-N 311.360 3.356 10 10 DGCE CC(C)C[C@H](N)C(=O)Nc1ccc(Cc2ccc(N)cc2)cc1 1865917174 SARNZCJDVNNUSE-SFHVURJKSA-N 311.429 3.172 10 10 DGCE Nc1ccc(OCC(=O)c2ccc(Br)s2)cc1 41562967 TZAFJHCFMPCZHQ-UHFFFAOYSA-N 312.188 3.355 10 10 DGCE C[C@H]1C[C@H](CNCc2ccc(N)cc2)CN1C(=O)OC(C)(C)C 1976796825 RRPCUKRMMXIMTN-DZGCQCFKSA-N 319.449 3.004 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](C2CCN(CCN=[N+]=[N-])CC2)C1 1990088564 QSWBINXSBXUAME-AWEZNQCLSA-N 323.441 3.266 10 10 DGCE CN(Cc1c(O)cccc1Br)[C@@H]1CCC[C@H]1F 2006800575 BRVIBBHRJRWIRR-VXGBXAGGSA-N 302.187 3.477 10 10 DGCE CN(C[C@@H]1[C@H]2CCC[C@H]21)c1ccc(CN)cc1Br 2032801126 KAAPNJUAVUMHMN-ITGUQSILSA-N 309.251 3.390 10 10 DGCE C[C@H]1CCO[C@H]1CN(C)Cc1cc(Br)ccc1O 2034984719 LTBPNLPUCNZMTC-HZMBPMFUSA-N 314.223 3.012 10 10 DGCE CNCc1ccc(N2CCN(Cc3ccccc3)C[C@H]2C)cc1C 382764543 AYONYDOJFSDJTL-GOSISDBHSA-N 323.484 3.425 10 10 DGCE C[C@@H](NCc1cnc(Br)s1)c1ccccc1O 718191608 HMYBNSZOQMQMRC-MRVPVSSYSA-N 313.220 3.462 10 10 DGCE C[C@H]1[C@H](NCc2cc(Cl)cc(Cl)c2O)C2CCN1CC2 2192787466 KPDRBXLEXSVFEK-XPTSAGLGSA-N 315.244 3.271 10 10 DGCE CCCN[C@H](c1ccccc1O)[C@@H](O)c1nc(Cl)cs1 2196958642 REFHOLXWAJHOHX-CHWSQXEVSA-N 312.822 3.276 10 10 DGCE CO[C@H]1CN([C@H](C)c2cc(Cl)ccc2O)CC(F)(F)C1 2185147133 MLLXAIYRAKPWTK-MWLCHTKSSA-N 305.752 3.463 10 10 DGCE Cc1ncnc(C)c1NCc1c(O)cccc1Br 2067232265 JTQKISMFRDBCEU-UHFFFAOYSA-N 308.179 3.174 10 10 DGCE C[C@H]1CCC[C@H]1CS(=O)(=O)Nc1ccc(O)c(Cl)c1 2093552883 MDGBUUPNVNDJLR-UWVGGRQHSA-N 303.811 3.224 10 10 DGCE COc1ccc(Br)c(CNC[C@@]2(C)C[C@H]2C)c1O 2220462730 QELZBIRSEPVEOO-YMTOWFKASA-N 314.223 3.299 10 10 DGCE Cc1cc(O)c([C@@H](C)N2CCO[C@H](CCF)C2)cc1Cl 2286444399 OHMJKIXKCGYIIS-VXGBXAGGSA-N 301.789 3.475 10 10 DGCE COc1ccc(N(C)C(=O)C=Cc2cncc(O)c2)cc1Cl 2308034307 SRSXUBLUFBMIQL-UHFFFAOYSA-N 318.760 3.125 10 10 DGCE CCCC1=NN(CC)C(=O)C1=Cc1cccc(OC)c1OC 2332130443 BLDDIXLBDYOOBA-UHFFFAOYSA-N 302.374 3.105 10 10 DGCE Cc1cc(CNCc2ccc(C)c(Br)c2O)ccn1 2352945164 RPMIAUMLLSYXSA-UHFFFAOYSA-N 321.218 3.456 10 10 DGCE CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/NCc1ccccc1 101148983 XDHWCJOEXBURCE-QGOAFFKASA-N 305.381 3.391 10 10 DGCE CCCOCCOC(=O)c1cc(C)n(-c2ccccn2)c1C 107415419 DFBPXAOIRSWZAJ-UHFFFAOYSA-N 302.374 3.073 10 10 DGCE CN[C@@H](C)c1ccc(N2CCN(CC3CC3)CC2)c(Cl)c1 61696957 XWBCPDKYMGIENX-ZDUSSCGKSA-N 307.869 3.152 10 10 DGCE COC(=O)c1ccc(Cl)cc1NCc1ccc(O)c(O)c1 36952383 ALAYFCMMVXCZRO-UHFFFAOYSA-N 307.733 3.150 10 10 DGCE CCNCc1cc(Br)cc(Br)c1O 32069237 ZIHPNQIAAAJKDV-UHFFFAOYSA-N 309.001 3.027 10 10 DGCE Nc1ccc(CNC(=O)C2CCC(C(F)(F)F)CC2)cc1 216270811 QLHSTJXXHASVGX-UHFFFAOYSA-N 300.324 3.254 10 10 DGCE CCN1CC[C@@H](CN[C@@H](C)c2cc3c(cc2O)CCCC3)C1 185059855 GWDWINPSXOSFOZ-GJZGRUSLSA-N 302.462 3.263 10 10 DGCE C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)NCc1ccc(N(C)C)cc1 381816791 CTXOJIRFOLELQC-KGLIPLIRSA-N 321.465 3.144 10 10 DGCE Oc1ccc(Br)cc1CNCC(F)(F)C(F)F 191772000 YVDQNJKZOJZYNI-UHFFFAOYSA-N 316.092 3.145 10 10 DGCE C[C@@H]1CCC[C@H](N(C)c2cc3c(cc2Cl)[C@H](N)C(=O)N3)C1 92750868 YOTUALUBZCKMIT-FTGAXOIBSA-N 307.825 3.307 10 10 DGCE CN(C)c1ccc(CN2CCO[C@H](c3cccs3)C2)cc1 92593341 YZFQRISPBCGLBA-INIZCTEOSA-N 302.443 3.388 10 10 DGCE CCOCc1cc(CN[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)ccc1OC 527803911 LKOXKICOAVNLGF-ZXTQRBJTSA-N 307.434 3.133 10 10 DGCE CC[C@H](NCc1cn(C)nn1)c1cc(Cl)cc(Cl)c1O 806157421 FSWPCMZYFQCVLC-LBPRGKRZSA-N 315.204 3.068 10 10 DGCE C[C@H](N[C@H]1CNCC[C@H]1C)c1ccc(N2CCCCC2)cc1 817968058 NXOALRWHXLIBRV-GJYPPUQNSA-N 301.478 3.326 10 10 DGCE C[C@@H](NCC[C@@H]1CCOC1)c1cccc(C(F)(F)F)c1O 815615701 VLLAQYQHTGLUNV-GHMZBOCLSA-N 303.324 3.488 10 10 DGCE Cc1cc(Cl)cc(CN[C@@H](C2CC2)[C@H](CO)C2CC2)c1O 824845733 NJVHYYTVHXADHQ-CVEARBPZSA-N 309.837 3.241 10 10 DGCE CO[C@H]1CC[C@@H](C(=O)NCc2ccc(N3CCCCC3)cc2)C1 824262412 XJGWJMOQZPFTJS-AEFFLSMTSA-N 316.445 3.108 10 10 DGCE Cc1ccc2c(c1)[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)[C@@H](C)C2 588413553 IPDPTYKAHJUYSC-QCHXSENUSA-N 323.392 3.469 10 10 DGCE C[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)[C@H]1CCCO1 906434599 SNGQVGRAXXERTH-MAUKXSAKSA-N 316.445 3.108 10 10 DGCE C[C@@H]1[C@H](N2CCCC2)CCN1C/C=C\c1ccc(N(C)C)cc1 835052941 ITESIKJMGSVEFQ-LDBCMITESA-N 313.489 3.324 10 10 DGCE CN(C)c1ccc(/C=C\CNCCCNc2ccccn2)cc1 835043742 BUGOQBNGBAPLQR-ALCCZGGFSA-N 310.445 3.253 10 10 DGCE COCC1(CN[C@H](C)c2cccc(C(F)(F)F)c2O)CC1 848560632 IEEQTVJDEIWOQQ-SNVBAGLBSA-N 303.324 3.488 10 10 DGCE Cc1nccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)n1 841494402 AVLWLOYYCOIFCI-UKTHLTGXSA-N 319.455 3.319 10 10 DGCE N[C@@H]1CC[C@H]2CN(c3ccc(OCc4ccccc4)cc3)C[C@H]12 1899859916 LPKBSKIUYLSANN-FFZOFVMBSA-N 308.425 3.439 10 10 DGCE Cc1cc(CN2CC[C@@](O)(C(F)F)C2)c(O)c(C(C)(C)C)c1 840114687 OBBUFIYDFMGMDW-KRWDZBQOSA-N 313.388 3.200 10 10 DGCE Oc1ccc(Cl)c(F)c1CN[C@H]1CNc2ccccc2C1 844904565 CQGOJIQRQZOOCR-LLVKDONJSA-N 306.768 3.311 10 10 DGCE CN(C)c1ccc(CN(Cc2cnn(CCF)c2)C2CC2)cc1 929294407 CUPGRXZVLRFTLW-UHFFFAOYSA-N 316.424 3.083 10 10 DGCE CC[C@H](COCC1CC1)N[C@@H](C)c1cc(C(=O)OC)ccc1O 850494621 RDLCDGKDFTWRRA-SWLSCSKDSA-N 321.417 3.035 10 10 DGCE [N-]=[N+]=NCCCCCCCCCC(=O)N1CC[C@H](C(=O)O)C1 757145090 ODOFSIIRJPYGDX-ZDUSSCGKSA-N 310.398 3.351 10 10 DGCE CCOCc1cccc(NC(=O)N2Cc3cccc(O)c3C2)c1 930112747 AFPOQKWIESYBMA-UHFFFAOYSA-N 312.369 3.476 10 10 DGCE C[C@H](NC(=O)N[C@H]1CCCC12CC2)c1ccc(N(C)C)cc1 868515120 IZVYEHSJBUDISM-BBRMVZONSA-N 301.434 3.446 10 10 DGCE CCC(F)(F)C(C)(C)CNC(=O)/C=C/c1ccc(O)c(O)c1 862945123 LJLNGDXBJZMFTC-SOFGYWHQSA-N 313.344 3.299 10 10 DGCE Oc1ccc2ccncc2c1CN1CC[C@H]2CC[C@@H](C1)S2 863294574 JITDFTBKMFFCEU-KGLIPLIRSA-N 300.427 3.410 10 10 DGCE C[C@H](Nc1ccc(N)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1959362545 XAWJFYWYDYQNIS-QWHCGFSZSA-N 305.422 3.326 10 10 DGCE Oc1c(F)cc(Cl)cc1CN1CCC[C@@H]([C@H]2CCOC2)C1 775740312 UOZUCRCNKUMEIE-NEPJUHHUSA-N 313.800 3.433 10 10 DGCE CCCc1ccc(C(=O)OCC(=O)c2ccc(O)c(O)c2)cc1 783180279 ZKCUZOKGPXURQL-UHFFFAOYSA-N 314.337 3.090 10 10 DGCE C[C@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)CC(F)F 898080001 AZYAHNPWYCWZRG-ZETCQYMHSA-N 315.341 3.334 10 10 DGCE O=C(Oc1ccc(NC(=O)C2CC2)cc1)c1cc(O)cs1 1136268456 OMNGHQBJJQRMHK-UHFFFAOYSA-N 303.339 3.021 10 10 DGCE CC(C)[C@@H]1C[C@@H](NCc2cccc(Br)c2O)CO1 691488308 NJVBRCBHRRUYDY-YPMHNXCESA-N 314.223 3.058 10 10 DGCE O=C(NC[C@@H]1CCC[C@@H]2C[C@@H]12)c1cc2cc(O)c(O)cc2s1 1147563682 IMICCDGVOCUDPS-JFGNBEQYSA-N 317.410 3.479 10 10 DGCE CCC(C)(C)CC(=O)N(C)CCNCc1ccc(OC)c(C)c1 1317589293 RKPSGTNCKGUNID-UHFFFAOYSA-N 320.477 3.378 10 10 DGCE C[C@@H](NC(=O)Cc1ccc2cnccc2c1)c1ccccc1O 1171723671 WUYCBSCNFJVXPI-CYBMUJFWSA-N 306.365 3.360 10 10 DGCE CN(C)c1ccc(CNC(=O)c2ccc(C(F)F)o2)cc1F 1329777970 PACJAJGWERUJLW-UHFFFAOYSA-N 312.291 3.352 10 10 DGCE Cc1nccn1[C@H](C)CNCc1c(O)cccc1Br 2129520474 YPPLHLGAXOTXRK-SNVBAGLBSA-N 324.222 3.010 10 10 DGCE [N-]=[N+]=NCC1CCN(C(=O)c2ccncc2Br)CC1 1912204439 JUTFNHHVFDMUDG-UHFFFAOYSA-N 324.182 3.007 10 10 DGCE O=C(N[C@H]1COc2ccccc2C1)c1ccccc1-n1cccc1 1290947190 WLXCOYXDXJFXDM-MRXNPFEDSA-N 318.376 3.211 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C)CC(C)(C)O)cc1 1468152865 IJOFGNCUWNNRLB-ZDUSSCGKSA-N 314.429 3.373 10 10 DGCE Cc1ncncc1NC(=O)c1ccc(-n2c(C)ccc2C)cc1 1618414463 DZIZSHPDXHWKAU-UHFFFAOYSA-N 306.369 3.445 10 10 DGCE CC(=O)c1ccc(C(=O)NCc2cc(Cl)ccc2O)cc1 1557385445 DKKLJJQZCFBEOV-UHFFFAOYSA-N 303.745 3.178 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)NC[C@H](O)C(C)C)c1 1629995777 KLLLXCUAIILBPT-SFHVURJKSA-N 314.429 3.149 10 10 DGCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCc2ccoc2)c1 1626961986 YBXAUZIJZBFSCJ-UHFFFAOYSA-N 322.364 3.430 10 10 DGCE Cc1coc(-c2cccc(NC(=O)Cc3ccc(O)c(O)c3)c2)n1 1566411348 GJLJITAGLFDMCD-UHFFFAOYSA-N 324.336 3.242 10 10 DGCE O=C(NCc1cccc(O)c1O)c1ccc(Cl)cc1Cl 1637035280 QALAKUFNJTXIBU-UHFFFAOYSA-N 312.152 3.335 10 10 DGCE CC1(C)CN(C(=O)/C=C/c2cncc(O)c2)c2cc(F)ccc21 1644331134 SBWBJTUMQLXFMK-ZZXKWVIFSA-N 312.344 3.264 10 10 DGCE c1cc(N2CCCC2)ccc1CN[C@@H]1CCO[C@H](C2CC2)C1 1650919129 QZPDESGLUXIVPN-MJGOQNOKSA-N 300.446 3.334 10 10 DGCE COc1ccc(CN[C@H](C)[C@H](C)NC(=O)C2CCCC2)cc1C 1674618662 MFLQRKUUKUBSPS-CABCVRRESA-N 318.461 3.177 10 10 DGCE CCNCc1ccc(N(C)CCOCC)c(Br)c1 233510567 XLUSJWFCDDMTFQ-UHFFFAOYSA-N 315.255 3.031 10 10 DGCE Cc1cc(C(=O)O)c(C)n1-c1c(F)c(F)c(F)c(F)c1F 158844447 HFLMMHDVFYGBCA-UHFFFAOYSA-N 305.202 3.488 10 10 DGCE CCCN[C@@H]1C(=O)Nc2cc(N3CC=CCC3)c(Cl)cc21 167764631 RZILCQRPBLRLPX-HNNXBMFYSA-N 305.809 3.099 10 10 DGCE C[C@]1(F)CCCN(c2ccc(CO)c(Br)c2)C1 1946856117 BSIBPAQLCZBUTC-ZDUSSCGKSA-N 302.187 3.270 10 10 DGCE Cc1nc(CCNCc2cc(Cl)cc(Cl)c2O)co1 1970391228 IELAQVQNULMRJF-UHFFFAOYSA-N 301.173 3.328 10 10 DGCE Oc1cccc(F)c1CNC[C@H]1CCCN1Cc1ccccc1 1976860172 FAUQMWRRQYCWAK-MRXNPFEDSA-N 314.404 3.286 10 10 DGCE CN1CCc2cc(C3(O)CC(OCc4ccccc4)C3)ccc21 1977939061 NMBHRFFQVANUEM-UHFFFAOYSA-N 309.409 3.246 10 10 DGCE CCN[C@H](c1ccc(N(C)C)cc1)[C@H](C)NC(=O)OC(C)(C)C 1977944208 BWVOKORUYLRGFV-BBRMVZONSA-N 321.465 3.316 10 10 DGCE Oc1cc(Cl)ccc1CN[C@H]([C@@H]1CCOC1)C(F)(F)F 2146308041 HZRWTXOPBIBGQX-BXKDBHETSA-N 309.715 3.103 10 10 DGCE O[C@H]1CCCc2cc(N3CC(OCc4ccccc4)C3)ccc21 1986598997 BWDYBTNYTNJTJO-FQEVSTJZSA-N 309.409 3.462 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@@H]3CCN(Cc4ccccc4)[C@H]3C2)cc1 2015069537 UTKMLISZMYCNEH-PBEJRMEISA-N 322.452 3.451 10 10 DGCE CN(C[C@@H]1CC[C@@H]2C[C@@H]21)c1ccc(CO)c(Br)c1 2040242400 YYHWZKYKSUBNAZ-SUNKGSAMSA-N 310.235 3.424 10 10 DGCE CN(Cc1ccccc1O)C(=O)c1coc(Br)c1 77258378 DJOJIQBOJHTFOK-UHFFFAOYSA-N 310.147 3.020 10 10 DGCE Cc1cc(CN)ccc1N1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 705947050 VCOIXVRSFGRCEL-WOJBJXKFSA-N 321.468 3.022 10 10 DGCE CCCn1ccnc1CNCc1cccc(Br)c1O 385223044 RHROTWSHMMOLDD-UHFFFAOYSA-N 324.222 3.051 10 10 DGCE Oc1ccc(Br)cc1Cn1ccc(C(F)(F)F)n1 2070096271 VUZPUCWOIYCPRC-UHFFFAOYSA-N 321.096 3.418 10 10 DGCE C[C@@H](N)c1ccc(N2Cc3ncsc3C2)cc1Br 2081611182 GPXZQHJHURJVKU-MRVPVSSYSA-N 324.247 3.446 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1C[C@H]2CC[C@H]1[C@H](O)C2 2204611049 PMHQZFPYFMKBFQ-KLPZLMTLSA-N 316.228 3.338 10 10 DGCE C[C@@H](O)c1ccc(N2CC[C@H]3C[C@@]3(F)C2)c(Br)c1 2222684286 CJEQQWRLDBTDJW-OLUVUFQESA-N 314.198 3.441 10 10 DGCE N[C@H](c1ccccc1O)c1c(F)ccc(Br)c1F 2223339860 KTVLDMKGCQZQAQ-CYBMUJFWSA-N 314.129 3.481 10 10 DGCE CCNCc1ccc(N(C)C2CSCCSC2)c(C)c1 2237061526 QLAUISVQGQJULR-UHFFFAOYSA-N 310.532 3.389 10 10 DGCE CC[C@H](N)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1 2244234121 UFZWTGNTDQFNGM-INIZCTEOSA-N 319.449 3.154 10 10 DGCE CC(F)(F)c1ncc(C(=O)N2CCC[C@H]2CN=[N+]=[N-])s1 2289297526 VPEFGJPDHFXCFS-ZETCQYMHSA-N 301.322 3.170 10 10 DGCE Cc1cncc(C=CC(=O)NCc2c(O)ccc3c2CCCC3)c1 2302473263 CFVQPYFKEIMZPY-UHFFFAOYSA-N 322.408 3.304 10 10 DGCE CS[C@H]1CC[C@@H]1N(C)c1ccc(CN)c(Br)c1 2307631286 ZCIDOLWPXNKLDG-STQMWFEESA-N 315.280 3.238 10 10 DGCE CCCN1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=S 2313507583 VNMPKOJKKFTYFJ-UHFFFAOYSA-N 308.384 3.206 10 10 DGCE Cc1ccc(CN[C@@H]2[C@H](C)C2(F)F)c(O)c1Br 2307565243 KZTXMFJTZXOKEX-WRWORJQWSA-N 306.150 3.206 10 10 DGCE Cc1ccc(CNCCCOC(F)F)c(O)c1Br 2327624802 VEHRDBCKFIZGEO-UHFFFAOYSA-N 324.165 3.182 10 10 DGCE Cc1cc(C(=O)NCC[C@@H](C)O)c(C)n1-c1cccc(Cl)c1 118719334 ZQKAAWJXSPWQNT-GFCCVEGCSA-N 320.820 3.248 10 10 DGCE CN(Cc1ccc(N)cc1)C(=O)c1cc2c(s1)CCSC2 123684966 TVMCRRVYZFDBKZ-UHFFFAOYSA-N 318.467 3.392 10 10 DGCE CCOC(=O)Oc1ccc(NC(=O)Nc2ccc(N)cc2)cc1 217265773 XRZBYZRHKMCECW-UHFFFAOYSA-N 315.329 3.448 10 10 DGCE COc1ccc(O)c([C@H](C)NCCCc2nc(C(C)C)no2)c1 185319236 PUBKBZQVJMWUSU-LBPRGKRZSA-N 319.405 3.191 10 10 DGCE Cc1nc(Br)ccc1NCc1ccc(O)cc1O 235808837 IDRPBJGKVVXUGW-UHFFFAOYSA-N 309.163 3.176 10 10 DGCE COc1ccc(O)c(CN[C@H](c2ccccc2)c2ncc[nH]2)c1 127927640 RAPYWECVFARWBG-QGZVFWFLSA-N 309.369 3.003 10 10 DGCE O=C(O)c1ccc(F)c(Sc2ncc([N+](=O)[O-])s2)c1 226766324 VUOLOTIBHXEAEH-UHFFFAOYSA-N 300.292 3.040 10 10 DGCE FC(F)(F)c1cc(CNC2CC2)ccc1N1CCSC1 2369310857 ONUXSIVLFILRES-UHFFFAOYSA-N 302.365 3.468 10 10 DGCE COc1ccc2nc(C(=O)N(C)Cc3ccccc3O)ccc2c1 136946893 IDANEEBCVGCAOU-UHFFFAOYSA-N 322.364 3.221 10 10 DGCE CN[C@H]1C(=O)Nc2cc(N3C[C@@H](C)C[C@@H](C)C3)c(Cl)cc21 221189302 NNIGANHETFAOOG-HFBDOXOYSA-N 307.825 3.035 10 10 DGCE CCn1ncc(CN[C@H](C)c2cc(Cl)c(Cl)cc2O)n1 527923546 KVGPKBABPBESLO-MRVPVSSYSA-N 315.204 3.161 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CC[C@@H]3C[C@H]3C2)c1 528090554 ZWIPVXDDRMUOEX-REWJHTLYSA-N 318.417 3.197 10 10 DGCE C[C@@H](CC(=O)NCc1cc(Br)ccc1O)C1CC1 804735209 PKKPKJLDDFVJTG-VIFPVBQESA-N 312.207 3.207 10 10 DGCE COc1ccccc1N1CC[C@H](N[C@H]2CCc3cccc(O)c32)C1 297608309 IJEATCXUEGJOFQ-HOTGVXAUSA-N 324.424 3.257 10 10 DGCE C[C@@H](N)c1ccc(N(C)Cc2cc(Cl)n(C)n2)c(Cl)c1 2166504130 MSSSWAFXRSCJOA-SECBINFHSA-N 313.232 3.383 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)c2csc(C(F)(F)F)n2)C1 2165238464 GUDCVZRTMQQUOB-LURJTMIESA-N 305.285 3.077 10 10 DGCE C[C@@H](Cc1ccco1)C(=O)NCc1ccc(N2CCCC2)cc1 821842265 JSIAPLRRAFQQPE-HNNXBMFYSA-N 312.413 3.375 10 10 DGCE CC(C)[C@@]1(CO)CCCN(C/C=C\c2ccc(N(C)C)cc2)C1 835055485 KUFCJMFMNXZPHG-BPJPHKDRSA-N 316.489 3.496 10 10 DGCE O=C1N=C(N2CCCCC2)S/C1=C/c1cc2cccnc2o1 834408542 LRGUXEQXZVDFQG-JLHYYAGUSA-N 313.382 3.284 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1 835040095 OAVBVNXYSSCFAL-UWBQZYMWSA-N 300.446 3.169 10 10 DGCE Cc1cc(O)c(CN2CCc3ccnc(O)c3C2)c(Cl)c1 840942216 VRGHPZUDEZKDNT-UHFFFAOYSA-N 304.777 3.013 10 10 DGCE CCc1cccc(CN2CC[C@H](C(=O)OC(C)(C)C)C2)c1O 848888294 RGQCKOIQXGLLSD-HNNXBMFYSA-N 305.418 3.118 10 10 DGCE COc1cccc([C@@H](O)CNCc2c(O)cc(C)cc2Cl)c1 840896961 PCXHCBJJURYHLI-KRWDZBQOSA-N 321.804 3.186 10 10 DGCE Cc1nocc1/C=C1/SC(=S)N([C@H]2C[C@H]3CC[C@H]2C3)C1=O 841497835 YYJNDRZPORDFNG-BRJDZLAXSA-N 320.439 3.373 10 10 DGCE Cc1cc(CNCc2ccc(N3CCSCC3)cc2)ccn1 858100675 WLOBEOLUGYSITF-UHFFFAOYSA-N 313.470 3.233 10 10 DGCE C[C@H]1C[C@H](NCc2cc(Cl)cc(Cl)c2O)c2ncnn21 850352279 QYXZYWBWEHEYAH-CPCISQLKSA-N 313.188 3.086 10 10 DGCE COC(=O)C1=CC[C@@H](N[C@@H](C)c2ccc3ccccc3c2O)C1 858471985 FYKJPYYBIQMOOW-SWLSCSKDSA-N 311.381 3.458 10 10 DGCE C[C@H](NC[C@@H](n1cccn1)C(F)(F)F)c1cc(F)ccc1O 858448560 CKKAYOBUKAKWDY-TVQRCGJNSA-N 317.286 3.182 10 10 DGCE CCOc1cccc(CN[C@@H]2[C@H]3Cc4cc(F)ccc4[C@H]32)c1O 850408835 FZYNALMEIGWPEA-CGTJXYLNSA-N 313.372 3.358 10 10 DGCE CC1(C)CN(C(=O)/C=C\c2ccc(O)c(O)c2)[C@@H]1c1ccco1 869788461 QRUMZISYJOSLMX-BQLWYNFJSA-N 313.353 3.314 10 10 DGCE CC(C)(C)OC(=O)NC[C@]1(F)C[C@@H](Nc2ccc(N)cc2)C1 1959387074 YRYMNKAWWFOEAT-AKAXFMLLSA-N 309.385 3.076 10 10 DGCE Cc1cc(Cl)cc(CN2CCCC[C@H]2C2OCCO2)c1O 775674634 HAIFBCGESJTVJS-AWEZNQCLSA-N 311.809 3.081 10 10 DGCE CCOc1ccc(N(CC)C(=O)/C=C\c2cncc(O)c2)cc1 779653080 QKXGQLRZSLLUJL-YHYXMXQVSA-N 312.369 3.252 10 10 DGCE CC[C@@H]1[C@H](C)CCN1c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] 772258981 WEVLMXIXGDZQPI-QJUZWUIZSA-N 318.373 3.406 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)N[C@@H](C)[C@H](C)OC)cc1 786147812 PXWTWZZZBWUVBY-GJZGRUSLSA-N 321.465 3.098 10 10 DGCE CC[C@@H](C)N(Cc1ccccc1)c1ccc2c(c1)NC(=O)[C@@H]2N 387345291 HNLIKKFPCJCKAZ-FZKQIMNGSA-N 309.413 3.444 10 10 DGCE Cc1cc(O)c(C(C)C)cc1NC(=O)Cc1ccc(O)c(O)c1 1137674568 ZDIXAXSBQUAVGD-UHFFFAOYSA-N 315.369 3.416 10 10 DGCE C[C@H]1CN(c2ccc(CNCC3(F)CC3)cc2F)C[C@H](C)O1 792920248 RVORHSOFTDATCW-STQMWFEESA-N 310.388 3.031 10 10 DGCE CN(CC1C[C@H]2C[C@@H]2C1)c1ccc(CO)c(Br)c1 697844243 KOCKHTXVSGQXAZ-STQMWFEESA-N 310.235 3.424 10 10 DGCE Nc1ccc(NC(=O)N(Cc2ccccc2)Cc2cc[nH]n2)cc1 1916270281 ZVSICACYSOXDGH-UHFFFAOYSA-N 321.384 3.226 10 10 DGCE O=C(NCc1ccc(O)cc1O)[C@@H]1C[C@H]1c1cccc(Cl)c1 1162277914 DCFRONAUDNRBPC-LSDHHAIUSA-N 317.772 3.171 10 10 DGCE C[C@@H](CO)N(Cc1ccccc1)c1ccc(CO)c(Cl)c1 1914222413 ZLMOMUOHVDUYII-ZDUSSCGKSA-N 305.805 3.220 10 10 DGCE O=C(NC1(c2ccc(F)cc2)CCCC1)c1cccc(O)c1O 1443234476 CCZDRQCHRRXFJS-UHFFFAOYSA-N 315.344 3.436 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2ocnc2-c2ccccc2)c1 1629740263 CFZYZTJZUMBPLG-UHFFFAOYSA-N 308.337 3.286 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N1CCCC2(CCCCC2)C1 1632888705 FPODJCXSNDXLPS-UHFFFAOYSA-N 303.402 3.213 10 10 DGCE CCC1(NC(=O)OC(C)(C)C)CC(N)(c2ccccc2O)C1 1933870801 HBOGOSRNDUQTOP-UHFFFAOYSA-N 306.406 3.014 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCN(CCN=[N+]=[N-])C2(CCC2)C1 1962288003 PNMKMRHENAXSAX-GFCCVEGCSA-N 309.414 3.209 10 10 DGCE Cc1ccccc1N1C(=O)[C@@H](CN2CCCCC2)SC1=S 5756235 KAEMSVUUBMKFSA-CQSZACIVSA-N 320.483 3.214 10 10 DGCE CN[C@H](c1ccccc1O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 1936986758 LPCXOFUEHZIWKH-XEZPLFJOSA-N 320.433 3.346 10 10 DGCE CC(C)NCc1ccc(N(C)C[C@@H](C)O)cc1C(F)(F)F 167374332 GRBBTINNEBBIIN-LLVKDONJSA-N 304.356 3.020 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C[C@@H](N)c1ccccc1O 1936988123 ZAXDJEAROUGTPY-VNHYZAJKSA-N 320.433 3.285 10 10 DGCE C[C@@H](NCc1nccn1Cc1ccccc1)c1c(O)cccc1O 1942380105 KWXJSJCMQLVVTN-CQSZACIVSA-N 323.396 3.193 10 10 DGCE Nc1ccc(CCCNCc2nccn2Cc2ccccc2)cc1 1942382028 HFDQKWJZJJMSJQ-UHFFFAOYSA-N 320.440 3.236 10 10 DGCE CCCN(CCC)C(=O)CCNCc1cc(Cl)ccc1O 1857864867 LABHMMMWYOUPEG-UHFFFAOYSA-N 312.841 3.174 10 10 DGCE CC[C@@H](NCCc1ncc[nH]1)c1cc(Br)ccc1O 139110715 QJRUEXQADNLCNH-GFCCVEGCSA-N 324.222 3.161 10 10 DGCE C[C@@H]1CC[C@H](CCNCc2cccc(Br)c2O)O1 1967777230 VSSHKAQFOQRGAW-ZYHUDNBSSA-N 314.223 3.202 10 10 DGCE C[C@H](N[C@H]1C[C@H]1CNC(=O)OC(C)(C)C)c1ccc(F)cc1O 1973243091 ANRGYLNIILPBFC-MJVIPROJSA-N 324.396 3.095 10 10 DGCE NCc1cc(F)c(N2CCCC(F)(F)C2)cc1Br 405176512 CBKFQTOFIPNTTD-UHFFFAOYSA-N 323.156 3.282 10 10 DGCE C[C@H](NCCC1CN(C(=O)OC(C)(C)C)C1)c1ccccc1O 877758241 OPCZSTJADKRYKV-ZDUSSCGKSA-N 320.433 3.300 10 10 DGCE CNC(=O)c1cc(C(C)C)nn1[C@@H](C)c1cc(C)c(C)cc1O 2070027789 PMKOEXXPFWUPSB-ZDUSSCGKSA-N 315.417 3.298 10 10 DGCE C[C@H]1C[C@@H]1CS(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1 2046139228 ZEFRSHDMVFOXKU-NKWVEPMBSA-N 310.202 3.097 10 10 DGCE Nc1cccc(Br)c1NC1[C@H]2CCC[C@H]1COC2 2049995379 YBUBEHHTEGBXJB-UWVGGRQHSA-N 311.223 3.258 10 10 DGCE C[C@@H](NCc1ccccc1O)c1ncccc1Br 2056546613 HWGQODFLKRWCRP-SNVBAGLBSA-N 307.191 3.401 10 10 DGCE CN(Cc1ccc(N)cc1)Cc1cnc(C(F)(F)F)s1 2196627931 HAKYSCLVAIWMMV-UHFFFAOYSA-N 301.337 3.376 10 10 DGCE CP(C)(=O)C1CCN(c2ccc(CO)cc2Cl)CC1 2103095704 FJURIJGDAXEPTC-UHFFFAOYSA-N 301.754 3.424 10 10 DGCE C[C@H](c1cc(Cl)ccc1O)N(C)C[C@@H](F)[C@H]1CCOC1 2238367728 OAZJMXQTISHJAZ-UHIISALHSA-N 301.789 3.413 10 10 DGCE COCC1CC(Sc2ncc(CNCC(C)C)s2)C1 2229858465 XEIYRQNWACIXIK-UHFFFAOYSA-N 300.493 3.406 10 10 DGCE Cc1cc(N2CCN(Cc3ccccc3)CC2)ccc1[C@H](C)O 2243957960 DXMRHRRWNPFGAO-KRWDZBQOSA-N 310.441 3.371 10 10 DGCE CCN(CC)c1ccc(CNC(=O)C=Cc2cccnc2)cc1 2297331587 XPCVAYGTALHQLH-UHFFFAOYSA-N 309.413 3.257 10 10 DGCE Cc1ccsc1C=C1SC(=S)N(Cc2ccon2)C1=O 2300341920 KELZGOXXDUILLT-UHFFFAOYSA-N 322.436 3.446 10 10 DGCE Cc1ccc(CN2CC[C@H]2C(F)F)c(O)c1Br 2307467830 BENDKAUULGXAQB-VIFPVBQESA-N 306.150 3.303 10 10 DGCE Cc1ccc(CN(C)C(=O)C(C)C)c(O)c1Br 2307570107 MOVBSUDOMFDKOY-UHFFFAOYSA-N 300.196 3.078 10 10 DGCE Cc1cc(Br)c(CN(C)Cc2ccc(N)cc2)cn1 2337824809 GKMJCHPEVQGZPX-UHFFFAOYSA-N 320.234 3.367 10 10 DGCE CCCC[C@](CC)(NCc1cnc(SC)s1)C(=O)O 2349500201 ITTSOHLDYVJVFJ-ZDUSSCGKSA-N 302.465 3.378 10 10 DGCE CN(CCCNCc1ccc2c(c1)CCN2C)Cc1ccccc1 237089496 ICQWPWHJIKCCDF-UHFFFAOYSA-N 323.484 3.291 10 10 DGCE COc1ccc(N2CC[C@H](COCc3ccccc3)C2)c(N)c1 383890974 DESNBLPYMKUQLE-INIZCTEOSA-N 312.413 3.321 10 10 DGCE COc1ccc(N2CCC(N[C@@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 366391718 YHSBPSCLMYMIMJ-YZVOILCLSA-N 300.446 3.442 10 10 DGCE C[C@@H]1SC[C@H]([C@@H](O)c2ccc3c(c2)CCN3C)S[C@H]1C 2163063873 TWTCBJCHFDGGIZ-QMMBQJITSA-N 309.500 3.338 10 10 DGCE CCOCc1cc(CN[C@H]2CCO[C@@H](CC)C2)ccc1OC 817413970 AXOIHBMTKGVYRG-IRXDYDNUSA-N 307.434 3.279 10 10 DGCE Cc1cc(CN[C@@](C)(CO)C(C)C)ccc1N1CCCCC1 829957326 GJFLSAUWRWZXEY-IBGZPJMESA-N 304.478 3.482 10 10 DGCE COc1ccc(O)c(CNC(=O)N[C@H]2CCCC[C@@H]2C(C)C)c1 734071793 YSGNAUWOGNROFW-CVEARBPZSA-N 320.433 3.415 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)C[C@H](C)c2cccnc2)c1 734548242 CBVBSCGOYQOYFG-QWHCGFSZSA-N 314.385 3.167 10 10 DGCE CN(CCCN=[N+]=[N-])[C@@H]1CCN(C(=O)OCc2ccccc2)C1 1954206664 KBLYPTUSSMBFEQ-OAHLLOKOSA-N 317.393 3.030 10 10 DGCE CCCN(CCC)c1ccc(CN(CC(=O)O)C2CC2)cc1 901971591 KFQAZHWNUJQLHI-UHFFFAOYSA-N 304.434 3.362 10 10 DGCE COc1cc(Br)cc([C@H](C)NCC(C)(F)F)c1O 848551167 FOUULVKRUNITCD-ZETCQYMHSA-N 324.165 3.469 10 10 DGCE CC1=CC[C@@](C)(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)CC1 852791549 JBCABPGSXSKPGQ-PKOBYXMFSA-N 315.461 3.005 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2Cc3c[nH]nc3[C@H](C)C2)c1O 931456963 CYOFLFYXNYNZFL-SECBINFHSA-N 319.792 3.091 10 10 DGCE Cc1ccc(O)c([C@H](C)NC2CCN(C(=O)OC(C)C)CC2)c1 756707034 KEIXGGOYDKBBBA-AWEZNQCLSA-N 320.433 3.361 10 10 DGCE C[C@@H](NC[C@@H]1CCC12CCOCC2)c1cc([N+](=O)[O-])ccc1O 866528966 LFSQUEDTKFZJOI-OLZOCXBDSA-N 320.389 3.158 10 10 DGCE Cc1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c2nccn2c1 860951114 YQNJILPJBWZDHI-CQSZACIVSA-N 322.412 3.200 10 10 DGCE CCOC1CC2(C1)C[C@H]2C(=O)N[C@H](C)c1ccc(N(C)C)cc1 867505464 VJTQPQJJYQGHJT-XZSFARSDSA-N 316.445 3.135 10 10 DGCE CNC(=O)Cc1ccccc1NC/C=C/c1ccc(N(C)C)cc1 1117830557 FEOSHFQODHOITN-VOTSOKGWSA-N 323.440 3.166 10 10 DGCE COc1ccc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)nc1 775750640 KGHSKAPIOWFLIP-GFCCVEGCSA-N 314.389 3.039 10 10 DGCE COCCN(Cc1cccc(OC)c1O)[C@@H]1C[C@H]2CC[C@H]1C2 775204686 BUJJVMMXYVEBNY-OFQRWUPVSA-N 305.418 3.038 10 10 DGCE Cc1ccncc1/C=C/C(=O)N1CCc2cc(F)c(F)cc21 783907276 QRCCNJOMPJVUQC-NSCUHMNNSA-N 300.308 3.271 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)c1cncc(F)c1Cl 896400956 QLAGTNIVVDRDSF-UHFFFAOYSA-N 321.783 3.179 10 10 DGCE Cc1ccccc1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 1135248860 SGYBIPILFPHTIM-UHFFFAOYSA-N 310.357 3.430 10 10 DGCE C[C@H](N[C@H](C)C1CN(C(=O)OC(C)(C)C)C1)c1ccccc1O 686281610 VYSFQCFYPWEOKN-OLZOCXBDSA-N 320.433 3.298 10 10 DGCE C[C@H](O)c1ccc(N2CC(OCC(F)(F)F)C2)cc1Cl 687920197 CJIMRYVWQGVBHC-QMMMGPOBSA-N 309.715 3.161 10 10 DGCE C/C(=C/C(=O)NCc1cc(O)ccc1O)c1ccccc1Cl 1153879578 QOKSJNFUVOZYSZ-FLIBITNWSA-N 317.772 3.471 10 10 DGCE C[C@H](NC(=O)[C@@H](C)Oc1cccc(F)c1)c1ccccc1O 1151892231 MASYXKKCIVSBQB-NWDGAFQWSA-N 303.333 3.176 10 10 DGCE CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NCc1cccc(O)c1O 1349078502 HPIPAIHKDLOKJI-BJJXKVORSA-N 321.417 3.088 10 10 DGCE C[C@H](CO)N(Cc1ccccc1)c1ccc(CO)c(C2CC2)c1 1901155523 BTZTZBQWLSNKPG-OAHLLOKOSA-N 311.425 3.444 10 10 DGCE CNCc1ccc(N(Cc2ccccc2)[C@@H](C)CCO)cc1C 1915368904 OSSSLBXQBCMNNH-KRWDZBQOSA-N 312.457 3.492 10 10 DGCE C[C@@H](CO)N(Cc1ccccc1)c1ccc([C@@H](C)N)cc1F 1914367285 YDRHQMUEDRRNIG-UONOGXRCSA-N 302.393 3.233 10 10 DGCE C[C@@H]1CCN(c2ccc(C=CC(=O)O)cc2Br)C1 1911790164 MDALYMUOEISYAE-SNVBAGLBSA-N 310.191 3.393 10 10 DGCE [N-]=[N+]=N[C@@H]1CCN(CC(=O)Nc2cccc(Cl)c2Cl)C1 1912194103 ISADUFRUHKHLKA-MRVPVSSYSA-N 314.176 3.317 10 10 DGCE COc1ccc(N(Cc2ccccc2)C[C@H](C)O)cc1OC 1460974908 TUDKWGIBDNJSLP-AWEZNQCLSA-N 301.386 3.091 10 10 DGCE CN(C)[C@@H]1CCCC[C@@H]1Nc1c(N)cccc1Br 1921761037 ULILCTWKLAAUOM-QWHCGFSZSA-N 312.255 3.316 10 10 DGCE C[C@H](NC(=O)COc1ccccc1Cl)c1ccccc1O 1471194628 NEJCPEPWNDJDOM-NSHDSACASA-N 305.761 3.302 10 10 DGCE O=C(c1c[nH]cc1Cc1ccccc1)N1Cc2cccc(O)c2C1 1471355542 KEABGWCJAJGRDL-UHFFFAOYSA-N 318.376 3.467 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)[C@@H](O)C(C)(C)CC)cc1 1624541455 QCMIDSBJSNHAGB-QGZVFWFLSA-N 320.477 3.288 10 10 DGCE CCOC(=O)c1cc(NC(=O)c2cc(O)cs2)c(F)cc1C 1556575645 WYZIOYSXSBIUOP-UHFFFAOYSA-N 323.345 3.330 10 10 DGCE C[C@H](NCc1ncccc1Br)c1ccc(O)cc1O 1927137114 ZDWAOVCWXASDHU-VIFPVBQESA-N 323.190 3.106 10 10 DGCE CC(C)n1ccc(C(=O)NCc2c(O)ccc3ccccc23)n1 1639384624 NFFUBNOKGYNMNZ-UHFFFAOYSA-N 309.369 3.253 10 10 DGCE CCOc1cc(Cl)ccc1NC(=O)c1cccc(O)c1O 1635986970 GMEFICWNAVSLAR-UHFFFAOYSA-N 307.733 3.402 10 10 DGCE CCn1ccnc1C(=O)NCc1cc(C)n(-c2ccccc2)c1C 1648612237 ZGCCBMWMNHFAEV-UHFFFAOYSA-N 322.412 3.241 10 10 DGCE O=C(NCC[C@@H]1C[C@H]1C1CC1)NCc1cc(Cl)ccc1O 1687599828 KVKZYEYJSMKVNP-RISCZKNCSA-N 308.809 3.281 10 10 DGCE CN[C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccccc1O 1936969401 CDAYBWSWXPIRTI-HIFRSBDPSA-N 320.433 3.442 10 10 DGCE CCCNCc1ccc(N2[C@@H]3CC[C@@H]2CC(O)C3)c(Cl)c1 164085285 VBPPSRXAZVKVPM-ZIAGYGMSSA-N 308.853 3.332 10 10 DGCE CCO[C@@H]1CCCN(c2ccc(/C=C/C(=O)O)cc2Cl)C1 164363523 IUQKLMVGXAZOBH-STMXVASLSA-N 309.793 3.443 10 10 DGCE Oc1c(Cl)cccc1CNCc1conc1Br 2216691295 XEFIKJOJYXGQCW-UHFFFAOYSA-N 317.570 3.086 10 10 DGCE CN(c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-])C1CCCCC1 33500554 LLLAVESUBSAVTK-CSKARUKUSA-N 304.346 3.462 10 10 DGCE CC1CC(N(C)c2cc(Br)c(CN)cc2F)C1 1942055419 RVHLFTWYIUPPMB-UHFFFAOYSA-N 301.203 3.282 10 10 DGCE Cc1cc(C(=O)NCc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)ccn1 1889919573 KZLVQNFFNDABJM-LPHOPBHVSA-N 321.424 3.309 10 10 DGCE CN(Cc1ccccc1O)Cc1ccncc1Br 1137695728 IXRWAGBJZXUYQU-UHFFFAOYSA-N 307.191 3.182 10 10 DGCE C[C@@H]1C[C@H](NCc2ccc(F)cc2O)CN1Cc1ccccc1 1964581783 UGFQZSWWOLNYRW-KDOFPFPSSA-N 314.404 3.284 10 10 DGCE COCCNCc1ccc(N2CC[C@@](C)(F)C2)cc1Cl 2152317506 MHZRGJMMJAUTMA-OAHLLOKOSA-N 300.805 3.014 10 10 DGCE Cc1ccc2nc(Sc3ncc(C[C@H](C)N)s3)[nH]c2c1 2155373794 UVYWIQXFIZRFNV-VIFPVBQESA-N 304.444 3.369 10 10 DGCE CC[C@@H](CN(C)Cc1cc(Br)ccc1O)OC 2014870664 KHLVESZQSCBQQN-LBPRGKRZSA-N 302.212 3.012 10 10 DGCE C[C@@H](O)c1ccc(N2CC(COC(F)(F)F)C2)c(Cl)c1 2156324119 QFCDLMOLMGPPCI-MRVPVSSYSA-N 309.715 3.366 10 10 DGCE CO[C@@H]1CCCN(Cc2cccc(Br)c2O)[C@H]1C 2037813377 UEJMBJCHIMRFGQ-GXFFZTMASA-N 314.223 3.154 10 10 DGCE CCCN[C@@]1(CO)CCC[C@@H](CSc2nccs2)C1 403077717 YRWJZLBMLHZUQR-OCCSQVGLSA-N 300.493 3.156 10 10 DGCE CCO[C@@H]1CCN(Cc2cc(Br)cc(C)c2O)C1 701661679 OYCVQCVZRCVHGP-CYBMUJFWSA-N 314.223 3.074 10 10 DGCE C[C@@H](NCC1(CNC(=O)OC(C)(C)C)CC1)c1ccccc1O 877755593 HORXHBBDHZAFGU-CYBMUJFWSA-N 320.433 3.348 10 10 DGCE COc1cccc(O)c1[C@H](C)n1nc(C2CCC2)cc1C=O 2070005613 UCVYCGAGBKHILK-NSHDSACASA-N 300.358 3.287 10 10 DGCE Cc1cc(Br)n(Cc2cccc(Cl)c2O)n1 2070171217 ZDRRFHDWZNZXMT-UHFFFAOYSA-N 301.571 3.361 10 10 DGCE Cc1nn(Cc2ccc(Cl)cc2O)c(N)c1C(F)(F)F 2079637922 XBBWEMXBYGOZRG-UHFFFAOYSA-N 305.687 3.200 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@]1(O)C[C@@H]2CCC[C@@H]21 2197536408 IZEAWXWFAAUCSZ-ONENECBXSA-N 316.228 3.340 10 10 DGCE CCC[C@@H]1COCCN1Cc1ccc(Br)cc1O 2050897296 IJMYVACWPUEUDO-CYBMUJFWSA-N 314.223 3.156 10 10 DGCE C[C@@]1(C(F)F)CCN(c2ccc(CN)c(Br)c2)C1 2054236792 AVVOKNNLPJXXJG-CYBMUJFWSA-N 319.193 3.389 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCC[C@@H]2NCC[C@@H]21 2087391039 ZEWAXQASFWJBLO-STQMWFEESA-N 301.217 3.025 10 10 DGCE COc1ccc(N2CCC[C@]2(CN)C(F)(F)F)cc1Cl 2203010862 ONZXSRHCZJGKDQ-LBPRGKRZSA-N 308.731 3.209 10 10 DGCE C[C@@H](O)c1ccc(N2CCc3ncsc3CC2)cc1Cl 2287051691 PJDNDFPOZMWWNI-SNVBAGLBSA-N 308.834 3.455 10 10 DGCE CN(C(=O)/C=C\c1cnccn1)c1c(Cl)cccc1Cl 492325306 UNSBACKPQJVRFT-WAYWQWQTSA-N 308.168 3.460 10 10 DGCE CSCC1CN(Cc2ccc(C)c(Br)c2O)C1 2307464931 AUMCKXAJEZBDLU-UHFFFAOYSA-N 316.264 3.258 10 10 DGCE Cc1ccc(CN2C[C@@H]3C[C@H]2[C@@H]2C[C@H]32)c(O)c1Br 2327598849 HLUFZBKKAKRVSK-LOWDOPEQSA-N 308.219 3.303 10 10 DGCE Cc1ccc(CN2C(=O)CCC[C@@H]2C)c(O)c1Br 2327616102 REGGQSLNPOEHLH-JTQLQIEISA-N 312.207 3.364 10 10 DGCE Cc1ccc(CN2CCC(C)(C)C2=O)c(O)c1Br 2327797202 SGRPRSBZKOSKNH-UHFFFAOYSA-N 312.207 3.222 10 10 DGCE COc1ccc2sc(I)c(O)c2c1 306687896 LZZMJDVJPHIFCG-UHFFFAOYSA-N 306.124 3.220 10 10 DGCE CCCCC1=NN2C(=N)/C(=C\c3ccccc3)C(=O)N=C2S1 33719448 IWLXXRFLQOCLTH-SKXPXVKHSA-N 312.398 3.496 10 10 DGCE COCCN1C(=O)/C(=C/C=C\c2ccccc2)SC1=S 33406198 NBULJABZRPCUIX-GNMLYANXSA-N 305.424 3.090 10 10 DGCE CC[C@@H](N[C@@H]1CCc2nnc(C(C)C)n2C1)c1ccccc1O 186325493 WKMKCIISZPDSAJ-UKRRQHHQSA-N 314.433 3.163 10 10 DGCE COc1ccc(CNCC[C@@H](C)NC(=O)OC(C)(C)C)cc1C 222084070 XUVJTMGAYUNATF-CQSZACIVSA-N 322.449 3.397 10 10 DGCE Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2Cl)s1 85205205 CUQWCISKQHRIBF-UHFFFAOYSA-N 303.792 3.216 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2sccc2[nH]1 192205963 GEHXYJKDYZFOQZ-VIFPVBQESA-N 316.382 3.002 10 10 DGCE Clc1cc(CNC2CC2)ccc1N1CCO[C@@H]2CCC[C@H]21 227544702 UHCAZPSNOJVWJZ-IAGOWNOFSA-N 306.837 3.350 10 10 DGCE Cn1cccc1[C@@H]1CCCCN1Cc1cc2c(cc1O)OCO2 93845536 MRGMPDORPBHZSV-HNNXBMFYSA-N 314.385 3.187 10 10 DGCE CN(C)c1cccc(NC(=S)Nc2ccccc2[N+](=O)[O-])c1 243114001 JGFAAOCMVUWMJB-UHFFFAOYSA-N 316.386 3.470 10 10 DGCE CC(C)c1ncc2c(n1)CCN(Cc1cc(F)ccc1O)C2 527619759 VFUKTXMBQIKNRS-UHFFFAOYSA-N 301.365 3.003 10 10 DGCE Cc1cc(Cl)cc(CN(CCCO)CC(F)(F)F)c1O 271714490 HWNBGZQJLVHASJ-UHFFFAOYSA-N 311.731 3.101 10 10 DGCE CCc1nnc(CNCc2ccc(N(CC)CC)cc2)s1 289817231 NNFIPOYSSYFHQC-UHFFFAOYSA-N 304.463 3.237 10 10 DGCE CCN1CCc2cc([C@@H](NC)c3scnc3Cl)ccc21 2164125988 VDANUXATFHFVEH-CYBMUJFWSA-N 307.850 3.488 10 10 DGCE Nc1ccc(CCC(=O)Cc2ccncc2Br)cc1 702919157 DMSLARCQPUMMFP-UHFFFAOYSA-N 319.202 3.171 10 10 DGCE CN1CCc2cc([C@@H](N)[C@H](O)c3ccc(Cl)s3)ccc21 2163124625 YPBVEWWCYOVDED-HUUCEWRRSA-N 308.834 3.127 10 10 DGCE CN(C)c1ccc([C@@H](N)[C@@](C)(O)c2ccc(Cl)s2)cc1 2163133050 IYPCOEGQCDGPQV-CABCVRRESA-N 310.850 3.375 10 10 DGCE Oc1ccc2c(n1)CCC[C@H]2NCc1cc(Cl)ccc1O 728781861 DXXPUFKIXVCXLU-CYBMUJFWSA-N 304.777 3.313 10 10 DGCE Oc1ccccc1CN(CCC[C@@H]1CCOC1)C[C@H]1CCCO1 828062137 BYIDBXQDPYGAFE-SJLPKXTDSA-N 319.445 3.190 10 10 DGCE CC(C)Cn1ccnc1CNC/C=C/c1ccc(N(C)C)cc1 835043498 VZPISCPSXFRYSS-AATRIKPKSA-N 312.461 3.408 10 10 DGCE C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(F)c(F)c1 588403869 YOZXQVPICFYMKZ-NXSJDDFASA-N 319.307 3.267 10 10 DGCE CN(C)c1ccc(/C=C\CNC[C@H]2COC3(CCCC3)O2)cc1 835042536 JBCNCRGRUXASHS-XFHJGTJQSA-N 316.445 3.041 10 10 DGCE CC1(C)CC[C@@H]1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 830899530 GNQPFGYWYXHEAH-HZPDHXFCSA-N 317.429 3.336 10 10 DGCE CCCN(CCC)c1ccc(CN[C@@H]2CCNC[C@@H]2C)cc1 841064654 RZOQSUQLHPACPZ-QFBILLFUSA-N 303.494 3.401 10 10 DGCE CCCN(CCC)c1ccc(CN[C@H]2C[C@H](C(=O)O)C2)cc1 849232427 ZHHPGTBPFXDLHO-WKILWMFISA-N 304.434 3.266 10 10 DGCE CCN(CC)CC1CCN(Cc2cc(C)cc(OC)c2O)CC1 754731362 ABHZICDYAZIYIG-UHFFFAOYSA-N 320.477 3.263 10 10 DGCE Cc1cccc(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c1 930205131 HFRZWNBRBOCELO-UHFFFAOYSA-N 322.408 3.094 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1CNc1ccc(N)cc1 1959363839 LNPFISJUQFHBKJ-DOMZBBRYSA-N 305.422 3.374 10 10 DGCE CCOCCCCCC(=O)NCc1ccc2cccnc2c1O 868938468 UAIFDIQTNVRLAI-UHFFFAOYSA-N 316.401 3.154 10 10 DGCE C[C@H](N[C@H]1C[C@@H](C)O[C@H]1C)c1ccc(Br)cc1O 866442875 DQTCZHNDINHJKY-QYTUQVAYSA-N 314.223 3.371 10 10 DGCE CC[C@@](C)(CO)C(=O)NCc1cc(C)n(-c2ccccc2)c1C 863163564 JAAREEQDAXABLH-IBGZPJMESA-N 314.429 3.119 10 10 DGCE COc1cccc(O)c1CN1CCC[C@@H](OC2CCC2)CC1 872259889 CQVZPWVRKXKNPR-OAHLLOKOSA-N 305.418 3.324 10 10 DGCE C[C@@H](NC(=O)c1cncc(Br)c1)c1ccccc1O 1557966197 WELZCWPFGVQLPM-SECBINFHSA-N 321.174 3.041 10 10 DGCE CN(C)c1ccc(CNc2ccc3ccc(=O)n(C)c3c2)cc1 785534826 OGFMAZHEUFYVDK-UHFFFAOYSA-N 307.397 3.217 10 10 DGCE CN(Cc1ccccc1O)C(=O)c1n[nH]c2ccc(Cl)cc12 788283993 RLSKNMOEOLMVRG-UHFFFAOYSA-N 315.760 3.194 10 10 DGCE CNC(=O)C[C@@H](N[C@H](C)c1cc(F)ccc1O)c1ccccc1 795850651 CBANYBKCKMZUKZ-MLGOLLRUSA-N 316.376 3.059 10 10 DGCE CC1=C[C@@H](C)CN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 797429721 WLGXVKFIQBATQP-OAHLLOKOSA-N 313.445 3.394 10 10 DGCE CC(C)COCCNCc1cc(Br)cc(F)c1O 715747924 XICFAYLPFCRDDR-UHFFFAOYSA-N 320.202 3.056 10 10 DGCE NCc1ccc(N2CC[C@H](CC(F)F)C2)cc1Br 1916723457 SVXUMYCYJNZYHY-SECBINFHSA-N 319.193 3.389 10 10 DGCE CCCOc1ccnc(NCc2ccc3cccnc3c2O)n1 1163539557 XSDFHYWFHBYNTB-UHFFFAOYSA-N 310.357 3.131 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@@H]1[C@H]2CCCO[C@@H]12 2119927225 YYUAXQJIBBGPBK-JTNHKYCSSA-N 302.201 3.214 10 10 DGCE CSC[C@@H](C)NCc1ccc(C)c(Br)c1O 1905142187 JKEHXXPNKNOKEX-SECBINFHSA-N 304.253 3.304 10 10 DGCE c1cc(N2CCCC2)ccc1CN1CC(C2CCOCC2)C1 1339932152 IEGYZRCSIUIGIB-UHFFFAOYSA-N 300.446 3.145 10 10 DGCE C[C@H](C(=O)O)N(CCCc1ccc(N)cc1)Cc1ccccc1 1902396741 IVVWHRNVQQHNJG-OAHLLOKOSA-N 312.413 3.177 10 10 DGCE C[C@@H]1Oc2ccccc2C=C1/C=C1/SC(=S)N(C)C1=O 1103568 DRBKZYNZUMJFLP-ITTMYVLYSA-N 303.408 3.225 10 10 DGCE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)N(c2ccc(CN)cc2)C1 1921427923 ZAVPKIIGQLXUNN-QZTJIDSGSA-N 323.484 3.492 10 10 DGCE COc1ccc(N(C)CCN(C)CC2(O)CCCCCC2)cc1 1473610763 SZNJSPBVKQSDNV-UHFFFAOYSA-N 320.477 3.149 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)OCc2nncs2)cc1 1544476969 XCDMQBYFJKNAOJ-UHFFFAOYSA-N 313.382 3.303 10 10 DGCE CCCCC[C@H](O)C(=O)NCc1ccc(N(CC)CC)cc1 1626085117 CVWLQUYOTNVYJZ-KRWDZBQOSA-N 306.450 3.090 10 10 DGCE Cc1cc2occ(C(=O)NCc3c(O)cccc3O)c2cc1C 1558533778 JTTQQBBHIVSGCC-UHFFFAOYSA-N 311.337 3.391 10 10 DGCE CCn1c(C(=O)NCc2c(O)cccc2O)cc2ccccc21 1558533596 IECRWFJMMGRYFJ-UHFFFAOYSA-N 310.353 3.002 10 10 DGCE CCC1([C@H](N)c2ccccc2O)CN(C(=O)OC(C)(C)C)C1 1928481385 VRCRUIIZVUKGSZ-CQSZACIVSA-N 306.406 3.039 10 10 DGCE CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(O)cs1 1641968367 BTAGPZFGZFRLCC-UHFFFAOYSA-N 308.315 3.013 10 10 DGCE O=C(CCc1ccc(F)cc1F)NCc1c(O)cccc1F 1652297912 AXAXOAWQRFGCKQ-UHFFFAOYSA-N 309.287 3.059 10 10 DGCE CC(C)[C@H](C(=O)NCc1cccc(Cl)c1O)N1CCCCC1 1653563925 SJINCDQZEHIFCN-OAHLLOKOSA-N 324.852 3.172 10 10 DGCE COC(=O)[C@@H]1CCN1c1ccc(OCc2ccccc2)cc1C 1935528599 DPLGWGREQRHEBK-SFHVURJKSA-N 311.381 3.326 10 10 DGCE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1CCCCN=[N+]=[N-] 1962298747 HXEZAEVOYUAOLW-QWHCGFSZSA-N 311.430 3.407 10 10 DGCE CCCOC1(CNC(=O)Cc2ccc(N)cc2)CCCCC1 162810701 AJVRBBVZMJKPOB-UHFFFAOYSA-N 304.434 3.057 10 10 DGCE CCNC(=O)c1ccc2[nH]c(-c3ccc(N(C)C)cc3)nc2c1 1872730258 JJCOERRKWXWMRB-UHFFFAOYSA-N 308.385 3.046 10 10 DGCE COC[C@H](CNCc1cccc(Br)c1O)C(C)C 922949687 PIRWGCDBKYXRTD-LBPRGKRZSA-N 316.239 3.163 10 10 DGCE CCSC1CN(c2ccc([C@H](C)N)c(Br)c2)C1 1948317667 HEFQLYPZAAZPII-VIFPVBQESA-N 315.280 3.411 10 10 DGCE CC(C)(C)OC(=O)Nc1cccc(CC(=O)NCCN=[N+]=[N-])c1 1963808941 ISGGXJJUQCTITK-UHFFFAOYSA-N 319.365 3.003 10 10 DGCE C[C@@H](NCC1(Br)CCC1)c1cc(O)ccc1O 2002766432 DOGSQDABJICALJ-SECBINFHSA-N 300.196 3.066 10 10 DGCE COC[C@@](C)(NCc1cccc(Br)c1O)C1CC1 1967797151 NVJZRDXPQHBJSO-CQSZACIVSA-N 314.223 3.059 10 10 DGCE C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@@H](C)C1N 1968000569 IAIKHPRRBFSTOU-RKDXNWHRSA-N 303.233 3.114 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCCN(Cc2ccc(N)cc2)CC1 1977919892 CMLMPABTZGEQML-MRXNPFEDSA-N 319.449 3.148 10 10 DGCE CNCc1ccc(N(C)[C@H](C)C(F)F)cc1Br 2009011371 CRNVJCCRRCFVQK-MRVPVSSYSA-N 307.182 3.258 10 10 DGCE C[C@H](c1cc(Br)ccc1O)N1C[C@@]2(C)C[C@H]1CO2 2028069315 KICBAESPTYGDRP-OLUVUFQESA-N 312.207 3.079 10 10 DGCE CN1C(=O)C(=Cc2cnn(Cc3ccccc3)c2)c2ccccc21 2040483273 PRBIFNMFJBGFFQ-UHFFFAOYSA-N 315.376 3.448 10 10 DGCE CC1=C(Br)CN(c2ccc([C@@H](C)O)c(O)c2)CC1 2034765769 YHKOVEVAQWJQMY-SNVBAGLBSA-N 312.207 3.325 10 10 DGCE C[C@H](NCc1ccccc1O)[C@@H]1CCCN1C(=O)OC(C)(C)C 400580082 QMIYEGVZMNONLQ-ZFWWWQNUSA-N 320.433 3.270 10 10 DGCE Oc1ccc(Br)c(CNCc2ccccc2O)c1 314958547 BDTRDDUVABSLTP-UHFFFAOYSA-N 308.175 3.150 10 10 DGCE CCNCc1ccc(N(C)C[C@H]2OCC[C@@H]2F)c(Cl)c1 2179098437 AGFKINWMORFRFF-DZGCQCFKSA-N 300.805 3.013 10 10 DGCE CC[C@@H](c1cc(C)c(C)cc1O)n1nc(C(F)F)c(CN)c1N 2079846623 GQUNUEVMABXPHC-LBPRGKRZSA-N 324.375 3.183 10 10 DGCE N[C@H]1CCc2cc(N3CCS[C@H](C(F)(F)F)C3)ccc21 2184737229 DQJROCUVPLNETA-STQMWFEESA-N 302.365 3.117 10 10 DGCE N[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)C2(CC2)C1 2098854582 FSUHZPPSLFWKFG-LLVKDONJSA-N 301.217 3.155 10 10 DGCE CC[C@H](O)CN(Cc1ccccc1)c1ccc(OC)c(OC)c1 2210906210 RAWLGBYUHGZWFQ-KRWDZBQOSA-N 315.413 3.481 10 10 DGCE C[C@H](c1ccccc1O)N(C)c1cc(N)c(Br)cn1 2231037261 MBTQOAWUHWGLFA-SECBINFHSA-N 322.206 3.329 10 10 DGCE CNCc1ccc(N2CCC[C@@H](OC(F)F)C2)cc1Cl 2235667054 RJIFYMCOEAPCME-GFCCVEGCSA-N 304.768 3.267 10 10 DGCE C[C@@H](CCNCc1ccccc1O)CCNC(=O)OC(C)(C)C 2243696388 BSZFKKPXPSMSBO-AWEZNQCLSA-N 322.449 3.423 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)c2cnc(C(F)(F)F)s2)C1 2289275671 XNIQCFJCIBXFFW-ZCFIWIBFSA-N 305.285 3.077 10 10 DGCE CC1=NN(c2cccc(C)c2)C(=O)C1=CNc1c(C)n[nH]c1C 2313548115 MBUOCNBAZDKIGE-UHFFFAOYSA-N 309.373 3.053 10 10 DGCE Oc1cc(Br)ccc1CN[C@H]1CCc2cccnc21 2337872355 ZMCCYLVEVYXEOW-ZDUSSCGKSA-N 319.202 3.327 10 10 DGCE CCN(Cc1ccccc1)[C@@H](CN)c1ccc2c(c1)CCN2C 302929560 QDAMMZYHRQIGLM-FQEVSTJZSA-N 309.457 3.201 10 10 DGCE CCc1nnsc1CN(C)c1ccc([C@H](C)N)cc1Cl 2360898485 KNHUGAMCYDSXJT-VIFPVBQESA-N 310.854 3.410 10 10 DGCE CCN(CC)c1ccc([C@H](N)CNC(=O)OC(C)(C)C)cc1 309609978 LQFJJDBOFTZSBL-OAHLLOKOSA-N 307.438 3.057 10 10 DGCE Cc1ccc([C@@H](C)NCc2cccnc2-n2ccnc2)c(O)c1 184989650 BPXMZOVMDMDXRU-CQSZACIVSA-N 308.385 3.132 10 10 DGCE O=C(Nc1cc(O)c(O)c(O)c1)Nc1ccc(F)c(Cl)c1 217278889 DIXYEXXAVIZLAD-UHFFFAOYSA-N 312.684 3.240 10 10 DGCE CCN(Cc1ccncc1)c1ccc(CN)cc1Br 213010875 ITVVGISYMURQJY-UHFFFAOYSA-N 320.234 3.329 10 10 DGCE CCS[C@H]1CCC[C@@H]1NCc1ccc(N2CCOCC2)cc1 319311904 HPSLZVGUKUKIGH-ROUUACIJSA-N 320.502 3.287 10 10 DGCE CCN[C@H]1CCN(c2cc(Cl)c(OC)cc2OC)[C@@H](C)C1 219818157 FTVKSLBYQUMOLE-RYUDHWBXSA-N 312.841 3.324 10 10 DGCE CN(Cc1csc([C@H]2CCCO2)n1)Cc1ccccc1O 136359665 NQVWBXLQQVJCQU-OAHLLOKOSA-N 304.415 3.332 10 10 DGCE CN[C@H]1C(=O)Nc2cc(N(C)[C@H](C)c3cccs3)ccc21 49727419 YCZHIYKDJSJFSP-MEBBXXQBSA-N 301.415 3.158 10 10 DGCE CN(C)c1ccc(CNC(=O)[C@H]2C[C@@H]2c2ccccc2F)cc1 248132772 QUULJRMYCQMJHW-SJORKVTESA-N 312.388 3.312 10 10 DGCE CC(=O)NC1CCC(N[C@@H](C)c2ccc(C)c(C)c2O)CC1 273598730 RMTLYTGIJPSWSB-JEYLPNPQSA-N 304.434 3.107 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)N(C)CCCCO)c1 276462528 OBMQXQKGRRWGPD-UHFFFAOYSA-N 314.429 3.247 10 10 DGCE CC[C@H](NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1ccccc1O 283374794 OHCUTICLQFDTSP-QILLFSRXSA-N 319.445 3.001 10 10 DGCE COC(=O)Cc1c(Br)ccc2scc(O)c12 396270032 GRCZUKZTQQWGKS-UHFFFAOYSA-N 301.161 3.085 10 10 DGCE C[C@H](N[C@@H]1CCNC[C@@H]1C)c1cc(Cl)c(Cl)cc1O 817969227 AAWDAGMUEPNMFB-MWODSPESSA-N 303.233 3.348 10 10 DGCE C[C@@H](N)c1ccc(N(CC(F)F)CC(F)(F)F)c(F)c1 720120332 SFIJBKCADGATOS-SSDOTTSWSA-N 300.246 3.479 10 10 DGCE CN(C)CC[C@H](N[C@H]1CCc2cccc(O)c21)c1cccnc1 903381373 WBCQKNTVVGNJGZ-IRXDYDNUSA-N 311.429 3.057 10 10 DGCE CC[C@@H](N[C@@H](C)c1ccc(N2CCCCCC2)cc1)C(=O)NC 834909760 ATGNGCNLOXEEJI-MAUKXSAKSA-N 317.477 3.242 10 10 DGCE O=C(NCCCc1cccs1)NCc1c(O)cccc1F 921749328 FKNSWLDYALGIOB-UHFFFAOYSA-N 308.378 3.025 10 10 DGCE CC1(C)C[C@@H](CNC(=O)N2Cc3cccc(O)c3C2)C(C)(C)O1 927633138 SBEGLKYIGIWIIT-ZDUSSCGKSA-N 318.417 3.011 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)NCC1CSC1 854876758 JWGXJOTUZFZQHO-UHFFFAOYSA-N 306.456 3.248 10 10 DGCE CCC1(CN[C@H]2CCN(c3ccc(OC)cc3)C2)CCOCC1 850346583 HJXHCSWACCVZAI-INIZCTEOSA-N 318.461 3.070 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)C1CCOCC1 755698577 GWURUTVHEDNFEL-HNNXBMFYSA-N 318.461 3.164 10 10 DGCE Cc1ccc(-c2noc(CN(C)c3ccc4c(c3)OCO4)n2)cc1 756654440 UFYLRWASLZGNMC-UHFFFAOYSA-N 323.352 3.410 10 10 DGCE CC[C@H](NCC[C@H](COC)OC)c1cc(Cl)ccc1O 850486949 WOXYOHPRDGSTRV-OCCSQVGLSA-N 301.814 3.138 10 10 DGCE C[C@H](C1CC1)n1nccc1NC(=O)N1Cc2cccc(O)c2C1 930921705 JIZHDNRUWXFSCG-LLVKDONJSA-N 312.373 3.107 10 10 DGCE COc1cccc(CNC(=O)CCCCCCSC)c1O 860240877 LDRIQETWXSDBQV-UHFFFAOYSA-N 311.447 3.331 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)CCOCc2ccccc2)CC1 1958668393 MGTVGGJLOCOHLH-HNNXBMFYSA-N 302.378 3.285 10 10 DGCE Cc1cc(Br)cnc1NCCOc1ccc(N)cc1 94051375 UCQQUIHBOPKDPU-UHFFFAOYSA-N 322.206 3.226 10 10 DGCE C[C@H]1CCC[C@H]1CNC(=O)c1cc2cc(O)c(O)cc2s1 1155458416 PEMPLZFJMXCNOZ-UWVGGRQHSA-N 305.399 3.479 10 10 DGCE CCOC1CN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1 1159619892 QHGMBVJUIRGKCA-UHFFFAOYSA-N 312.413 3.263 10 10 DGCE CCC(CC)NC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C 1230195234 LFRGFWGYDIJSNX-CQSZACIVSA-N 305.466 3.480 10 10 DGCE Cc1cc(CN2C[C@H](C)O[C@@](C)(C(F)F)C2)ccc1N(C)C 1174723532 CLXUGLLFUMVKGF-SUMWQHHRSA-N 312.404 3.306 10 10 DGCE COC(=O)CC(C)(C)N(C)C/C=C\c1ccc(N(C)C)cc1 1324611535 ZXBCXAWWUYRNEH-FPLPWBNLSA-N 304.434 3.039 10 10 DGCE Cc1ccc(CN(C)C2CSC2)c(O)c1Br 1905174731 VZQOPNQKDFMSRY-UHFFFAOYSA-N 302.237 3.010 10 10 DGCE C[C@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H]1C 1333749192 QNDFTXRXHLSUIR-VHSXEESVSA-N 305.399 3.431 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)N=c1cc(C)[nH]c(C)c1 1335445625 QBDIBUBNVNTFIS-UHFFFAOYSA-N 313.401 3.270 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2C[C@@H]1CCC(C)(C)CO1 1192938066 CSDOPGKSBZWMOT-HNNXBMFYSA-N 304.434 3.157 10 10 DGCE Cc1ccc(O)c([C@H](C)NCC=CCNC(=O)OC(C)(C)C)c1 1911691762 AFFOUGXPKQLYEB-AWEZNQCLSA-N 320.433 3.432 10 10 DGCE Cc1cn(C(C)(C)C(=O)NCc2c(O)ccc3ccccc23)cn1 1472085542 VFENJWZWXGOMFD-UHFFFAOYSA-N 323.396 3.102 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)OCc2ccccc2)c1 1923924164 RLDMGZMRCHTKNE-LBPRGKRZSA-N 301.342 3.388 10 10 DGCE CC[C@H](NC(=O)c1cc(C)n(-c2ccccc2C)c1C)[C@@H](C)O 1556585669 BLBQDQSNPNVVDE-WBVHZDCISA-N 314.429 3.292 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)NCCCc1cccc(Cl)c1 1639919787 HEULJAGPEORCAO-UHFFFAOYSA-N 319.788 3.043 10 10 DGCE C[C@H](NC(=O)c1cc(C=O)ccc1F)c1ccc(N(C)C)cc1 1567777061 ICPYXPIVVSEYFN-LBPRGKRZSA-N 314.360 3.195 10 10 DGCE CCN[C@H](C)c1ccc(N(CCO)CC(F)F)cc1Cl 231323004 FBDGIZAESROLSI-SNVBAGLBSA-N 306.784 3.074 10 10 DGCE C[C@H](N[C@H](C)c1nc(-c2cccnc2)no1)c1ccccc1O 1648054287 TUGPMXJSURWFLU-NWDGAFQWSA-N 310.357 3.249 10 10 DGCE Cc1cc(C(=O)NCc2cc(Cl)ccc2O)c(N)cc1F 1644590782 OLKNVSSLIVVOBW-UHFFFAOYSA-N 308.740 3.005 10 10 DGCE CC(C)(C)OC(=O)N[C@@H](C[C@H](N)c1ccccc1O)C1CCC1 1936970273 KISSTUVTJDOBNW-GJZGRUSLSA-N 320.433 3.476 10 10 DGCE CC(C)O[C@H]1C[C@H](NC(=O)N[C@H](C)c2ccccc2O)C1(C)C 1681359721 SRCZIGICWKOSAW-KCXAZCMYSA-N 320.433 3.345 10 10 DGCE C[C@@H]1CCN(CCCN=[N+]=[N-])C[C@H]1CNC(=O)OC(C)(C)C 1962306133 YFUVKIIMHJXQOJ-CHWSQXEVSA-N 311.430 3.170 10 10 DGCE CCN(CC)CCCN=NNc1cc([N+](=O)[O-])ccc1OC 1860492038 BGGASIQKXVRISP-UHFFFAOYSA-N 309.370 3.114 10 10 DGCE CC(C)C[C@@H](N)C(=O)Nc1ccc(Cc2ccc(N)cc2)cc1 1865917173 SARNZCJDVNNUSE-GOSISDBHSA-N 311.429 3.172 10 10 DGCE CN1CC[C@](C)(CNCc2cc(Cl)cc(Cl)c2O)C1 1879334073 QJSKOEQMVPIHFX-CQSZACIVSA-N 303.233 3.130 10 10 DGCE Oc1cccc(F)c1CNCc1csc(C(F)(F)F)n1 896641711 VHBYMWUZQQUDAT-UHFFFAOYSA-N 306.284 3.296 10 10 DGCE O=C(O)[C@H]1C[C@H]2CC[C@H]1N2Cc1cc(Cl)cc(Cl)c1O 250755682 QROFIXVWPYSYSB-JFGNBEQYSA-N 316.184 3.137 10 10 DGCE CC(C)(C)OC(=O)NC[C@H]1CCCCN(c2ccc(N)cc2)C1 1977970387 MDNURSULHKIQMI-CQSZACIVSA-N 319.449 3.400 10 10 DGCE O=C(O)C[C@H](NCc1ccc(Cl)cc1O)c1cccs1 2146307699 CUJZBKQJFYITST-NSHDSACASA-N 311.790 3.413 10 10 DGCE CC1(C)C[C@H](CNCc2c(O)cccc2Br)CO1 2041447718 YONJXTJRRBGIQY-SNVBAGLBSA-N 314.223 3.059 10 10 DGCE C[C@H](N)c1ccc(N(C)[C@H]2CO[C@H](C)C2)cc1Br 401560720 GHQCFCZPQLLPRF-JFGNBEQYSA-N 313.239 3.082 10 10 DGCE N[C@H](CSc1nccs1)c1ccc2c(c1)OCCCO2 81897334 SORVNVQPJVKWAB-LLVKDONJSA-N 308.428 3.097 10 10 DGCE CC[C@H](O)[C@H](C)NCc1cc(Cl)cc(Br)c1O 708133525 LPPCVASNAARSPA-CPCISQLKSA-N 322.630 3.057 10 10 DGCE O=C(O)CCN(Cc1cc(Cl)cc(Cl)c1O)CC1CC1 717203245 QDHQGTTWHOTGOP-UHFFFAOYSA-N 318.200 3.386 10 10 DGCE CCCCN(c1cc(Cl)c(CN)cc1F)[C@@H]1CCOC1 2197226463 CWQBHRPNDYVGSM-GFCCVEGCSA-N 300.805 3.333 10 10 DGCE Nc1ccc(CNc2cc(Br)c(F)cc2N)cc1 2071652417 KAFLBNNPXYQOPM-UHFFFAOYSA-N 310.170 3.365 10 10 DGCE CSc1ncc(CN[C@H]2CCO[C@]3(CCSC3)C2)s1 2208656321 RYGJKIOWUWHOJH-GXFFZTMASA-N 316.517 3.009 10 10 DGCE CNCc1ccc(N(C)[C@H]2C[C@@H]3C[C@@H]3C2)c(Br)c1 2222651855 YLWUIPZXPNPJOZ-CLLJXQQHSA-N 309.251 3.403 10 10 DGCE COCCNCc1cc(OC)ccc1Sc1nccs1 2235965857 KFUHVCHRLSKKIQ-UHFFFAOYSA-N 310.444 3.039 10 10 DGCE Cc1c(Br)nnc(N(C)Cc2ccccc2O)c1C 2226494167 KACLTGFTNHLLTD-UHFFFAOYSA-N 322.206 3.198 10 10 DGCE CN1CCc2cc([C@@H](N)c3cocc3Br)ccc21 2258125836 AVEGJHCAYHNCHK-CQSZACIVSA-N 307.191 3.083 10 10 DGCE Nc1ccc(CC[S@@](=O)CC2CC(C(F)(F)F)C2)cc1 2287334740 OSPGDPIYPFPEJR-YNBSLNEISA-N 305.365 3.149 10 10 DGCE CC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1cccc(C)n1 2313682274 YZFAHXIFRWUYSP-UHFFFAOYSA-N 306.369 3.499 10 10 DGCE NCc1ccc(N2C[C@@H]3C[C@H]2C(F)(F)C3)cc1Br 2308471522 FYYPVPVXJRAGLF-PELKAZGASA-N 317.177 3.142 10 10 DGCE CO[C@H]1C[C@@H]2C[C@H]1C[C@H]2Nc1c(N)cccc1Br 2308687260 CELCSYKLALKFHX-NGERZBJRSA-N 311.223 3.257 10 10 DGCE CCN1N=C(c2ccccc2)C(=Cc2ccccc2[N+](=O)[O-])C1=O 2332144845 SHLJGMZZAQQZCE-UHFFFAOYSA-N 321.336 3.245 10 10 DGCE Cc1ccc(CNC(=O)[C@H]2CC2(C)C)c(O)c1Br 2327585499 GXHFCRBCVDVIEP-SNVBAGLBSA-N 312.207 3.125 10 10 DGCE CCN(c1ccc([C@@H](C)N)cc1Br)[C@H](C)COC 109570542 PWWLGKKNNUUBHR-GHMZBOCLSA-N 315.255 3.330 10 10 DGCE CC[C@H](N)c1cc(Br)cc(Br)c1O 60309426 LRAUEPFTVNBFOK-QMMMGPOBSA-N 309.001 3.327 10 10 DGCE O=Cc1sc2ccc(I)cc2c1O 307175510 SKLHJQNOQCJKTB-UHFFFAOYSA-N 304.108 3.024 10 10 DGCE O=C(O)[C@@H]1c2ccsc2CCN1Cc1c(O)cccc1Cl 128829235 UUNGZYSHKFAWLV-AWEZNQCLSA-N 323.801 3.291 10 10 DGCE Cc1ccc(O)c([C@H](C(N)=S)N(C)Cc2ccccc2)c1 211971031 MWUXJDBSLCWVGW-MRXNPFEDSA-N 300.427 3.160 10 10 DGCE CCCCOC[C@@H](O)CN(c1ccc(OC)c(F)c1)C(C)C 195186883 LHCHCWMJVYANCP-HNNXBMFYSA-N 313.413 3.227 10 10 DGCE C[C@@H](c1ccccc1O)N(C)C(=O)c1ccc(Cl)cc1N 40332837 ASYWVQMBOSEEBM-JTQLQIEISA-N 304.777 3.461 10 10 DGCE CN(Cc1ccccc1O)C(=O)/C=C/c1c(F)cccc1F 136949915 RNOQTVGFGVGVRB-MDZDMXLPSA-N 303.308 3.342 10 10 DGCE COC[C@H](C)[C@H](C)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1352616036 WLSBHNUUIDOGRM-HOTGVXAUSA-N 318.461 3.164 10 10 DGCE CC[C@H]1CN(c2ccc([C@H](C)N)c(Br)c2)CCO1 234124411 NUXDZSZKJQPUCK-JQWIXIFHSA-N 313.239 3.084 10 10 DGCE CC[C@@H](N[C@H]1CCCn2nc(C)nc21)c1ccc(N(C)C)cc1 90225408 OTIWEBPHXBHVHU-SJORKVTESA-N 313.449 3.228 10 10 DGCE Nc1ccc(N(C(=O)NCCCCCO)c2ccccc2)cc1 244135861 UMIXTYMXPUMGSH-UHFFFAOYSA-N 313.401 3.279 10 10 DGCE Cc1cc(/C=C\C(=O)NC2CCOCC2)c(C)n1-c1ccccc1 255054327 VUDTUWSGBYULCN-HJWRWDBZSA-N 324.424 3.403 10 10 DGCE COc1ccc(O)c(CNC[C@H]2CC[C@@H](c3ccccc3)O2)c1 367957925 QOXZDSOPCLZSDB-MJGOQNOKSA-N 313.397 3.411 10 10 DGCE C[C@H](N[C@H]1CCOC[C@H]1C)c1cc(Br)ccc1O 278623297 RQAWNPHASIZDRN-NRUUGDAUSA-N 314.223 3.230 10 10 DGCE O=C(O)/C=C/c1ccc(N2C[C@H]3C[C@H]3C2)c(Br)c1 380373891 FBOFCRJGZVDYHE-BUYCOLMZSA-N 308.175 3.003 10 10 DGCE Cc1ncsc1/C=C\C(=O)N1CCc2c(F)ccc(F)c21 814425485 AATXQGRRBQUIGX-PLNGDYQASA-N 306.337 3.332 10 10 DGCE C[C@@H](N)c1ccc(N2CCS[C@H](C(F)(F)F)C2)c(F)c1 721389586 NFXLHRBUNCNSCA-PELKAZGASA-N 308.344 3.330 10 10 DGCE C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@@H]1CCN 723924568 QIPUMBKSYATIOM-ZJUUUORDSA-N 303.233 3.116 10 10 DGCE Cc1ncccc1/C=C/C(=O)N[C@H](C)c1ccc(N(C)C)cc1 829818667 ZLZMEHODBFCQHS-SAAWKEMMSA-N 309.413 3.347 10 10 DGCE Cc1ccc(O)c(CN2CCN(CC(F)(F)F)C[C@H](C)C2)c1 825124438 PYZSKMABPKZCIG-CYBMUJFWSA-N 316.367 3.017 10 10 DGCE CN(C)c1ccc(/C=C\CNCCCCN(C)C2CC2)cc1 835062860 FTRCPUFPQUNMBH-SREVYHEPSA-N 301.478 3.230 10 10 DGCE C[C@H](N[C@@H]1CCN(C)[C@@H]1C)c1ccc(Cl)c(Cl)c1O 903299895 CTQDKSWZJALULI-YGOYTEALSA-N 303.233 3.442 10 10 DGCE CC[C@H](N[C@@H](CC)c1ccc(Cl)c(Cl)c1O)C(=O)NC 834911184 HQLVOJYTMDXUFR-QWRGUYRKSA-N 319.232 3.264 10 10 DGCE Cc1cc(O)c(CNCc2cccnc2N(C)C)c(Cl)c1 840876646 RIRNXGBHRPKOOW-UHFFFAOYSA-N 305.809 3.105 10 10 DGCE OC1CCN(c2ccc(CNC[C@@]34CCCC[C@H]3C4)cc2)CC1 922428602 LCHTXFMJENLEBA-PXNSSMCTSA-N 314.473 3.318 10 10 DGCE CN1CCCc2cc(CN[C@@H](C3CC3)[C@@H]3CCCOC3)ccc21 924869819 JDOGHXVXDVYPJS-QUCCMNQESA-N 314.473 3.364 10 10 DGCE OCC1CCN(c2ccc(CN[C@H]3CCCC34CC4)cc2)CC1 850427200 OUJBCGVZJAZGIS-IBGZPJMESA-N 314.473 3.318 10 10 DGCE Cc1nn(C)c(C)c1CCN[C@H]1C[C@H](C)c2c(F)ccc(O)c21 756378451 DTIYFVQZWKAVLV-BONVTDFDSA-N 317.408 3.262 10 10 DGCE C[C@H](NC(=O)NCC[C@]1(C)C[C@]1(F)Cl)c1ccccc1O 868742833 DSSMXMDXTMCUMU-COLVAYQJSA-N 314.788 3.457 10 10 DGCE C[S@@](=O)(=NC(=O)/C=C\c1ccc(O)c(O)c1)C1CCCCC1 1119632015 KLEWCCRWZIDQBB-ZVXDMYHRSA-N 323.414 3.068 10 10 DGCE CCCOc1ccc(CNCc2nc(C3CC3)n[nH]2)cc1C 873128793 DVNQXMBCCYAVGU-UHFFFAOYSA-N 300.406 3.069 10 10 DGCE Cc1ncc(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)s1 773268670 JDQXGYMOROCFKZ-NSHDSACASA-N 318.446 3.078 10 10 DGCE CCCCCNC[C@H]1CCN(c2ccc(OC)c(OC)c2)C1 76378946 IWRQSVYREXGYCH-OAHLLOKOSA-N 306.450 3.310 10 10 DGCE Oc1cc2c(cc1CN1CCO[C@H](Cc3ccccc3)C1)CCC2 776294744 VCWQCIOHNNCGRP-HXUWFJFHSA-N 323.436 3.324 10 10 DGCE CCn1cc(Cl)cc1C(=O)NCc1ccc(N(C)C)cc1C 1126004860 OFGCKBYIUGOGFN-UHFFFAOYSA-N 319.836 3.466 10 10 DGCE Cc1cccc(-n2c(C)cc(CNC(=O)[C@@H]3C[C@@H]3F)c2C)c1 1132043739 LVUYQOZUPQEWNT-SJORKVTESA-N 300.377 3.377 10 10 DGCE Cc1ccc(O)c(CNc2ccc(C(N)=O)c(OC(C)C)c2)c1 798086102 JOKZCBFHFKMSJD-UHFFFAOYSA-N 314.385 3.199 10 10 DGCE CCOc1cc(C(=O)NCc2ccc(OC)cc2O)ccc1C 794378008 SSLXEUJAMBCVPF-UHFFFAOYSA-N 315.369 3.038 10 10 DGCE CC[C@@H](C(=O)OC(C)(C)C)N(C)Cc1ccc(N(C)C)cc1 792202472 KEDFQQKWZYUTKJ-INIZCTEOSA-N 306.450 3.305 10 10 DGCE CCCNCc1ccc(N2CC[C@@H](F)C2)c(Br)c1 689832121 WJIBZLDAMJALNL-GFCCVEGCSA-N 315.230 3.497 10 10 DGCE CCNCc1ccc(N2CC[C@@H](CF)C2)cc1Br 711516999 HAXYTISGUGYDFO-NSHDSACASA-N 315.230 3.354 10 10 DGCE COc1cccc(CNC(=O)NCC2(C)CCC(C)CC2)c1O 793328507 NYJJNCZRFHOOOY-UHFFFAOYSA-N 320.433 3.416 10 10 DGCE C[C@@H](NC(=O)CCOc1ccc(F)cc1)c1ccccc1O 1302530660 VCJCEDAQYKLSQD-GFCCVEGCSA-N 303.333 3.178 10 10 DGCE CCOc1ccccc1C(=O)NCc1cc(Cl)ccc1O 1300402014 WAKNCFFJOHXHCW-UHFFFAOYSA-N 305.761 3.374 10 10 DGCE [N-]=[N+]=NCCC[S@@](=O)Cc1cccc(Br)c1 1902037915 ZLSWBEOYOBASRQ-MRXNPFEDSA-N 302.197 3.398 10 10 DGCE [N-]=[N+]=NC1CN(C(=O)c2cc(Cl)ccc2Br)C1 1912190610 GMULJLKKYBHCPE-UHFFFAOYSA-N 315.558 3.237 10 10 DGCE CCn1ccnc1CN(C)Cc1cccc(Br)c1O 1913381072 WESGPCMZAGCYFE-UHFFFAOYSA-N 324.222 3.003 10 10 DGCE CC1(C)[C@@H](CNC(=O)c2cccc(O)c2O)[C@@H]1c1ccccc1 1468836019 COROLWDIXJJJMO-HOCLYGCPSA-N 311.381 3.267 10 10 DGCE Cc1ccc(N(CC2CC2)C(=O)/C=C\c2cn(C)cn2)cc1F 1534690278 CIIBUUTXCZPVBI-VURMDHGXSA-N 313.376 3.324 10 10 DGCE NC(=O)C1CCN(/N=N/c2cc(Cl)cc(Cl)c2)CC1 1860489759 BYECHXJSOJTGQE-WUKNDPDISA-N 301.177 3.189 10 10 DGCE Cc1ccc(C(=O)Nc2ccc(OCC(C)C)nc2)c(O)c1O 1627748766 GKMHRIOBRGJWKF-UHFFFAOYSA-N 316.357 3.088 10 10 DGCE O=C(NCc1ccc(O)cc1O)c1[nH]ccc1-c1ccccc1 1557085533 OWTDWXWXGYFFDI-UHFFFAOYSA-N 308.337 3.023 10 10 DGCE CC[C@@H](C[C@H](NC)c1ccccc1O)NC(=O)OC(C)(C)C 1928469045 CZHFOTSQGSIYKQ-JSGCOSHPSA-N 308.422 3.346 10 10 DGCE CCOC(=O)c1ccc(C(=O)N[C@@H](C)c2ccccc2O)cc1 1632254413 AXQGVFGXJFJUHL-LBPRGKRZSA-N 313.353 3.060 10 10 DGCE CC[C@](C)(CNC(=O)OC(C)(C)C)[C@H](N)c1ccccc1O 1928481441 WKLPVAWGRAQIPD-RHSMWYFYSA-N 308.422 3.333 10 10 DGCE CCSc1cc(C(=O)NCc2cccc(Cl)c2O)ccn1 1637227143 PDTYLXYLGHRSEO-UHFFFAOYSA-N 322.817 3.483 10 10 DGCE O=C(NCc1cc(O)ccc1O)[C@H]1C[C@]12CCCc1ccccc12 1644754027 OIAUGLWDCTVLOT-XLIONFOSSA-N 323.392 3.008 10 10 DGCE C[C@@H](NCC(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1O 1648053752 GHWJGQBQWSVYSQ-SNVBAGLBSA-N 322.767 3.474 10 10 DGCE COC(=O)/C=C/c1ccc(N(C)[C@H](C)C2(C)CC2)c([N+](=O)[O-])c1 1655223614 GVVYHJXWBNBIOF-WAFBPQNNSA-N 318.373 3.406 10 10 DGCE Cc1ccc([C@](C)(O)CN[C@@H](C)c2ccc(N(C)C)cc2)o1 165649256 IGQOKJTYAUUGHN-KBXCAEBGSA-N 302.418 3.212 10 10 DGCE CNCc1ccc(OC)c(C[S@](=O)[C@H]2CCC[C@@H](C)C2)c1 203654513 AJOYMICYHKPVDF-QTPGKHNVSA-N 309.475 3.242 10 10 DGCE CN(Cc1cc(N)ccc1O)[C@H]1CC[C@H]1OCc1ccccc1 1939601304 AEEJJVZHVCGVNT-PKOBYXMFSA-N 312.413 3.154 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCC[C@]2(CCNC2)C1 843123962 SNTXPXPPBWCTEY-OAHLLOKOSA-N 315.244 3.275 10 10 DGCE O=C1CCCCN[C@H]1c1ccc(OCc2ccccc2)cc1O 1952380797 ZRCKMKKUACOMFM-IBGZPJMESA-N 311.381 3.355 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCC[C@H](C2CNC2)C1 2149012516 KGXLOWWVFFGPFR-JTQLQIEISA-N 315.244 3.130 10 10 DGCE COc1cccc(O)c1CNC[C@@H](C)N(C)Cc1ccccc1 1976859381 WDHCLKDKCORLOT-OAHLLOKOSA-N 314.429 3.011 10 10 DGCE CN(CCCN(C)C(=O)OC(C)(C)C)CCc1ccc(N)cc1 1977890911 POLRNYDMBGWSRD-UHFFFAOYSA-N 321.465 3.000 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@H]1CCN2CCC[C@H]12 37168886 QHYOYUDJKMDPJK-QWHCGFSZSA-N 301.217 3.025 10 10 DGCE CCN1CCc2cc([C@@]3(N)CCN(Cc4ccccc4)C3)ccc21 1999510046 SVABADHFURHGBA-OAQYLSRUSA-N 321.468 3.129 10 10 DGCE CN(c1ccc(CN)cc1Br)[C@H]1CCC[C@H]1F 2006795304 RKFOQEDMWAPVEV-YPMHNXCESA-N 301.203 3.235 10 10 DGCE COc1ccc([C@H](N)c2ccccc2O)cc1Br 2029558268 JASPMEIWIWFZHM-AWEZNQCLSA-N 308.175 3.211 10 10 DGCE C[C@@H]1C[C@@H](N(C)c2ccc([C@@H](C)N)cc2Br)CO1 401573328 MUTMSMBGWFOKDG-CKYFFXLPSA-N 313.239 3.082 10 10 DGCE C[C@@H](Nc1cnn(C)c1Br)c1cc(F)ccc1O 694163978 CMLLEPDWCJBRKI-SSDOTTSWSA-N 314.158 3.200 10 10 DGCE Cc1nn(Cc2cc(F)ccc2O)cc1C(=O)OC(C)(C)C 2070252252 MABLLKIESPYIBR-UHFFFAOYSA-N 306.337 3.040 10 10 DGCE Cc1ccc(Cn2nc(C3CC3)c(CN)c2C(F)F)c(O)c1 2078984099 NVDQLDUSXPGTKF-UHFFFAOYSA-N 307.344 3.219 10 10 DGCE CN[C@@H](c1ccc2c(c1)CCCN2C)C(F)(F)Br 2045736368 UZRLHETYVVJJJR-LBPRGKRZSA-N 319.193 3.317 10 10 DGCE C[C@H]1OCC[C@@H]1CCN(C)c1cc(Cl)c(CN)cc1F 2196313238 DUWVMDBHFJQWIN-MNOVXSKESA-N 300.805 3.189 10 10 DGCE C[C@@H](O)c1ccc(N2CC3(CC(F)C3)C2)c(Br)c1 2051891248 CNYFILYRWFCRFJ-SECBINFHSA-N 314.198 3.441 10 10 DGCE CN(Cc1ccccc1N)Cc1ccc(Br)cc1O 2092734634 JLKCAWOGCGPLCW-UHFFFAOYSA-N 321.218 3.369 10 10 DGCE COc1ccc(Br)c(CN[C@@H](C)CC2CC2)c1O 2220462723 QEEXDZZJSYIUAP-VIFPVBQESA-N 314.223 3.442 10 10 DGCE CN[C@@H](C)c1ccc(N2CC(OC(F)(F)F)C2)cc1Cl 2237636565 FNPYZFNWTGLWPV-QMMMGPOBSA-N 308.731 3.345 10 10 DGCE OCc1ccc(N2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2)c(Br)c1 2228692178 TVXRCQRHBXQFKY-XJFOESAGSA-N 320.230 3.200 10 10 DGCE Cc1cc([C@H](C)N)ccc1N1CCS[C@@H](C(F)(F)F)C1 2240839061 BIVKSQMVEJCVDN-GXFFZTMASA-N 304.381 3.499 10 10 DGCE Cc1ccc(O)c([C@@H](C)NC[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)c1 2296976388 YQNVNHPQTMDWBZ-IPYPFGDCSA-N 320.433 3.264 10 10 DGCE Cc1nc2ccc(NC(=O)C=Cc3ccc(O)c(O)c3)cc2o1 2307981875 AQFNWVUSBXRPLD-UHFFFAOYSA-N 310.309 3.199 10 10 DGCE CSc1cc(N2CCC=C(Br)C2)ccc1CN 2308065790 RAXFTBQLCFKGGK-UHFFFAOYSA-N 313.264 3.356 10 10 DGCE C[C@@H]1Cc2ccccc2N1N=Nc1ccc2c(c1)OCC(=O)N2C 2330246116 AXGFEKWIMFQSNM-GFCCVEGCSA-N 322.368 3.492 10 10 DGCE CCCC1=NN(c2ccccn2)C(=O)C1=Cc1cccc(O)c1 2332094885 RHFGMDBDYLUFHQ-UHFFFAOYSA-N 307.353 3.374 10 10 DGCE CCCC1=NN(CC)C(=O)C1=Cc1ccc(OC)cc1OC 2332140575 RYGHCXRTAHMZFF-UHFFFAOYSA-N 302.374 3.105 10 10 DGCE Cc1ccc(CNC[C@@H]2[C@@H](C)C2(F)F)c(O)c1Br 2327627376 ULFJOSPBEVSVMJ-PSASIEDQSA-N 320.177 3.454 10 10 DGCE Cc1ccc(CN(C)[C@H]2CCCC2=O)c(O)c1Br 2327614704 FULLIWLZOHEDGL-NSHDSACASA-N 312.207 3.017 10 10 DGCE CC1=NN(c2ccccc2)C(=O)/C1=C(\C)Nc1cccc(C)n1 103916003 YZFAHXIFRWUYSP-GHRIWEEISA-N 306.369 3.499 10 10 DGCE COc1ccc(N(C)C[C@H](O)COc2ccc(C)cc2)cc1F 121751538 PCQBRYJYZOPKAU-HNNXBMFYSA-N 319.376 3.019 10 10 DGCE C[C@H]1CO[C@@H](c2ccccc2)CN1Cc1cc(F)ccc1O 180059448 OJZRWDUHNXSLIW-SCLBCKFNSA-N 301.361 3.493 10 10 DGCE CC(C)=C(F)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 136266835 TTXXJCLNPRXFDI-AWEZNQCLSA-N 307.365 3.163 10 10 DGCE CN(C)c1ccc(CN(C(=O)[C@@H]2CCC(C)(C)O2)C2CC2)cc1 278489725 LHLLDCSQKZIGMM-KRWDZBQOSA-N 316.445 3.201 10 10 DGCE CCCN(CCC)c1ccc(CN2CCNC(=O)C[C@H]2C)cc1 809765258 NFCBPMJKIMVQMM-MRXNPFEDSA-N 317.477 3.023 10 10 DGCE CC[C@@](C)(C(=O)OC)N(Cc1cc(F)ccc1O)CC1CC1 822504537 UKMNHETXJDAOKE-KRWDZBQOSA-N 309.381 3.085 10 10 DGCE CCN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@H](C)c1cccnc1 588407941 BCMHVRHUOKYCLN-FNOHHLHBSA-N 312.369 3.116 10 10 DGCE Cc1ncc2c(n1)CC[C@H](NC/C=C/c1ccc(N(C)C)cc1)C2 835037688 VSETZZLUFCWWEF-WRFKIARRSA-N 322.456 3.011 10 10 DGCE CN(Cc1ccccc1O)C(=O)[C@H]1CCOC2(CCCC2)C1 906990143 APDZZEBEDRDGIQ-AWEZNQCLSA-N 303.402 3.090 10 10 DGCE C[C@H](N[C@H]1CCN(C)[C@H]1C)c1cccc(C(F)(F)F)c1O 903301267 PETLODFUGRKBOU-KWBADKCTSA-N 302.340 3.154 10 10 DGCE C[C@@H](NC(=O)N1CCC[C@@](C)(F)C1)c1ccc(N(C)C)cc1 836405360 DLSOLFJEIDSZLZ-CXAGYDPISA-N 307.413 3.347 10 10 DGCE COc1cc(N(C)CCOCC2CCCC2)cc(OC)c1OC 838852462 BNOOECLVVVVNPK-UHFFFAOYSA-N 323.433 3.355 10 10 DGCE Cc1ccc(O)c(CN[C@@H](C[C@H]2CCCO2)C(F)(F)F)c1 848571190 DSOCVWXEUHSUOG-OCCSQVGLSA-N 303.324 3.290 10 10 DGCE C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)Nc1ccc(N)cc1 841299798 OEFLUDIWGRECTC-VHSXEESVSA-N 301.312 3.464 10 10 DGCE CC(C)CC(=O)NCc1cc(NC(=O)CC(C)C)ccc1O 923126942 UEVPFQUZJQCODL-UHFFFAOYSA-N 306.406 3.039 10 10 DGCE COc1cccc([C@@]2(C)CCN(C(=O)Cc3ccc(N)cc3)C2)c1 851645343 IQCIXVSGNILFOX-FQEVSTJZSA-N 324.424 3.010 10 10 DGCE Cc1ccc([C@H](C)NCC2(CC(N)=O)CCCCC2)c(O)c1 850573965 UJOFPRJKWMGXKM-AWEZNQCLSA-N 304.434 3.177 10 10 DGCE CCOc1cccc(CNCC[C@H]2CC2(Cl)Cl)c1O 856806135 ATYSDHMHJZMOJF-NSHDSACASA-N 304.217 3.464 10 10 DGCE Cc1ccc(O)c([C@H](C)NCC2(CC(N)=O)CCCCC2)c1 850574402 YAAXAYZKLKWNNW-AWEZNQCLSA-N 304.434 3.177 10 10 DGCE Cc1cc(C)cc(-n2ncc(CNCc3cc(C)ccc3O)n2)c1 858239910 WJTPGIBZDLIMOP-UHFFFAOYSA-N 322.412 3.188 10 10 DGCE O=C(C=C1CCSCC1)NCc1ccc2cccnc2c1O 862027509 VHPXUNZGUQSOQK-UHFFFAOYSA-N 314.410 3.010 10 10 DGCE Cc1nnc(CCN(C)c2ccc(-c3nccs3)cc2)o1 930709819 IKHLZBDQXRCKJH-UHFFFAOYSA-N 300.387 3.180 10 10 DGCE Oc1c(F)cc(Cl)cc1CN1CCC[C@@H](n2ccnc2)C1 775674437 ARMWVOJQXXOQMM-CYBMUJFWSA-N 309.772 3.218 10 10 DGCE CC(=O)CCC(C)(C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 775407859 XBWOLCPTQNTEPF-AWEZNQCLSA-N 304.434 3.325 10 10 DGCE Oc1cc(OCc2ccccc2)ccc1CNCC1CSC1 895421278 COTJBTGKWILYIJ-UHFFFAOYSA-N 315.438 3.424 10 10 DGCE CCc1[nH]c(CNCc2cc(Cl)ccc2O)cc1C(=O)OC 895137808 XRERKVJOPQCFLY-UHFFFAOYSA-N 322.792 3.013 10 10 DGCE C[C@H](N)c1ccc(N2CCCOC[C@@H]2C)cc1Br 398912285 WMTAJRHRXKTZNM-QWRGUYRKSA-N 313.239 3.084 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)Nc1cncc2c1CCCC2 1147248666 UAMXPFZAWXZQRQ-VURMDHGXSA-N 310.353 3.024 10 10 DGCE CC(C)(C)[C@@H]1CCN(Cc2c(O)ccc(Cl)c2F)C[C@H]1O 792174125 LRHISUKEEXDZRQ-BXUZGUMPSA-N 315.816 3.414 10 10 DGCE Cc1cc(C)cc(C[C@H](C)NC(=O)c2ccc(C)c(O)c2O)c1 1148218193 VUHHOOUWLDINQO-AWEZNQCLSA-N 313.397 3.384 10 10 DGCE C[C@H](O)c1ccc(N2CCO[C@H](C(F)F)CC2)c(Cl)c1 687553772 OVZDCLVVGSPWSC-ZANVPECISA-N 305.752 3.254 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)N[C@H]1C[C@H]1c1ccccc1 1227470003 FYAXKJNHFKLTMG-GJZGRUSLSA-N 316.788 3.401 10 10 DGCE O=C(C[C@H]1OCc2ccccc21)NCc1cc(Cl)ccc1O 1300395910 HATKZWQDSSLXRB-MRXNPFEDSA-N 317.772 3.323 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CCC[C@H](F)C1 1348976923 CICAMTFGIITISI-KBPBESRZSA-N 305.393 3.416 10 10 DGCE CCOP(=O)(CCN1CCC[C@H](CN=[N+]=[N-])C1)OCC 1912196265 UBIKXJRGELVJPX-GFCCVEGCSA-N 304.331 3.275 10 10 DGCE [N-]=[N+]=NC1CN(C(=O)c2cc([N+](=O)[O-])cc(Cl)c2Cl)C1 1912171580 MQPPSIGZERPNLY-UHFFFAOYSA-N 316.104 3.036 10 10 DGCE CC1(C)C[C@@H]([C@H](N)c2ccccc2O)N(C(=O)OC(C)(C)C)C1 1912801365 QHFSZSCBJRWQHP-DZGCQCFKSA-N 320.433 3.428 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)c1nccc2occc12 1451960841 PPQNWHGQCKHIRP-UHFFFAOYSA-N 319.320 3.012 10 10 DGCE COc1ccc(-n2c(C)cc(C(=O)NOC(C)C)c2C)cc1 1298555983 STGWYKUJSYOFQX-UHFFFAOYSA-N 302.374 3.173 10 10 DGCE Cc1cccc(-n2c(C)cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H]3O4)c2C)c1 1608089840 PKCGMKJOWLEWFQ-QXAKKESOSA-N 324.424 3.452 10 10 DGCE Cc1noc(C)c1N(C)C(=O)c1cc2cc(O)c(O)cc2s1 1618608708 SKYKYFCLXOTNTB-UHFFFAOYSA-N 318.354 3.194 10 10 DGCE C[C@@H]1C[C@@H]1n1c(CC2CC2)nnc1N(C)Cc1ccccc1O 1708002014 ORWHUJXTKXXKFK-DOMZBBRYSA-N 312.417 3.154 10 10 DGCE Cc1cccc(-n2c(C)cc(CNC(=O)C3=COCC3)c2C)c1 1471014962 WZWSIYJBLBRLHY-UHFFFAOYSA-N 310.397 3.323 10 10 DGCE CC[C@@H](CC[C@@H](N)c1ccccc1O)NC(=O)OC(C)(C)C 1928467371 JWUGKUUSTDTLCZ-GXTWGEPZSA-N 308.422 3.476 10 10 DGCE CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NC)c1ccccc1O 1928471107 IFHIHRDQBIWLLY-UKRRQHHQSA-N 308.422 3.346 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)c1cccc(F)c1F 1570531898 RVQSAXHWVKAQLS-UHFFFAOYSA-N 314.291 3.149 10 10 DGCE CC[C@H](C)CC(=O)N[C@H](C)CNCc1ccc(OC)c(C)c1 1669280725 MDHVMGKYOODBBU-DZGCQCFKSA-N 306.450 3.034 10 10 DGCE CCCN(CCN=[N+]=[N-])C[C@@H]1CCCN1C(=O)OC(C)(C)C 1962299428 MYXCXGZGIDNOGW-ZDUSSCGKSA-N 311.430 3.408 10 10 DGCE Cc1ccc(O)c(CNCc2cnc(C(F)(F)F)s2)c1 1963054363 SRALBHWWRRMOJZ-UHFFFAOYSA-N 302.321 3.466 10 10 DGCE COc1cc(/C=C2\SC(=S)NC2=O)ccc1OCC(C)C 16575351 KYEACSSHWLSCBK-QPEQYQDCSA-N 323.439 3.219 10 10 DGCE COc1cc(O)c(CN2CCC[C@H]2c2ccco2)cc1OC 160206887 YSZNHBHZXBEUME-ZDUSSCGKSA-N 303.358 3.340 10 10 DGCE C[C@@H]1CN2CCC[C@@H]2CN1Cc1cc(C(C)(C)C)cc(O)c1O 153247551 IBHIDJAIQMAYEV-CZUORRHYSA-N 318.461 3.064 10 10 DGCE CN(Cc1cc(N)ccc1O)[C@@H]1CC[C@@H]1OCc1ccccc1 1939601301 AEEJJVZHVCGVNT-MJGOQNOKSA-N 312.413 3.154 10 10 DGCE CCCCCNC(=O)CCNCc1ccc(N(CC)CC)cc1 1857859306 JHHOYYYURUODLY-UHFFFAOYSA-N 319.493 3.319 10 10 DGCE Cc1ccc(O)c(CNCC(=O)N(c2ccccc2)C(C)C)c1 1857858159 WEVZXGFMYZPCRR-UHFFFAOYSA-N 312.413 3.232 10 10 DGCE CCCn1nccc1CNCc1ccc(Br)cc1O 1964594938 QOHLJFKKVKEDHC-UHFFFAOYSA-N 324.222 3.051 10 10 DGCE COc1cc(Cl)cc(CNC[C@@H]2C(F)(F)C23CC3)c1O 1974196954 APPKKLGCGKSDJK-NSHDSACASA-N 303.736 3.189 10 10 DGCE Cc1cccc(N)c1N[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 1977663677 BQNBGIUCXHCWOE-KCQAQPDRSA-N 317.433 3.245 10 10 DGCE CC(C)(C)OC(=O)NCC[C@H](O)c1ccc(N2CCCC2)cc1 1977933571 FLMNBWVPLYNEAO-INIZCTEOSA-N 320.433 3.235 10 10 DGCE COc1cc(Cl)cc(CNC/C=C/Br)c1O 1980889595 OVAXEZATYDLFTE-NSCUHMNNSA-N 306.587 3.052 10 10 DGCE C[C@H](O)CN(Cc1ccccc1)c1ccc2c(c1)CCC[C@@H]2O 1986598755 AKFCMLSYWSFWDF-YWZLYKJASA-N 311.425 3.444 10 10 DGCE Oc1c(Br)cc(Cl)cc1CNC[C@@H]1C[C@H]1F 1987847626 IFRSRAPNBRQDKS-QUBYGPBYSA-N 308.578 3.256 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 705963653 TXTXZAIGMNGUTO-UXPWSPDFSA-N 321.468 3.275 10 10 DGCE COc1cccc(O)c1[C@H](C)NCc1ccc2cnn(C)c2c1 2065218744 RNNRBPLBCUSVRK-LBPRGKRZSA-N 311.385 3.138 10 10 DGCE O=C(O)c1cc(C2CCC2)nn1Cc1cc(Cl)ccc1O 2069861623 GEWWOAAZLQBRSU-UHFFFAOYSA-N 306.749 3.256 10 10 DGCE COc1cccc(Cn2nc(C(C)(C)C)c(C3CC3)c2N)c1O 2079775624 DZXZINVOHDFXEQ-UHFFFAOYSA-N 315.417 3.403 10 10 DGCE Cc1cc(CO)ccc1N(C)[C@@H]1CS[C@@H](C(F)(F)F)C1 2189474518 QJIXNWVMOHBBQO-WCQYABFASA-N 305.365 3.360 10 10 DGCE NCc1ccc(N2CCCC[C@@H]2CF)c(F)c1Br 2051761100 JTACNXKVFDPLQA-SNVBAGLBSA-N 319.193 3.375 10 10 DGCE Cc1cc(Br)nc(N(C)Cc2ccccc2O)c1 2077435176 AVXSBAULVRGVSA-UHFFFAOYSA-N 307.191 3.495 10 10 DGCE COc1ccc(N(CCN(C)C)Cc2ccccc2)c(C=O)c1 2211286190 FDHVCLQJPWVFER-UHFFFAOYSA-N 312.413 3.076 10 10 DGCE Oc1ccc(Br)cc1CNC[C@@H](F)C1CCC1 2215291391 QAWJDJDSGFNBHS-GFCCVEGCSA-N 302.187 3.383 10 10 DGCE Cc1cc([C@@H](C)N)ccc1N1CC2(CN(Cc3ccccc3)C2)C1 2217348711 ORZAZFLGCYFVRZ-QGZVFWFLSA-N 321.468 3.337 10 10 DGCE C[C@H](N)c1ccc(N(C)CC[C@@H]2CCO2)cc1Br 2263969575 RTNKXZWJRCEYOA-CMPLNLGQSA-N 313.239 3.084 10 10 DGCE Cc1cc(O)cc(C)c1NS(=O)(=O)c1ccccc1Cl 1256316684 NXGIMPJTBQYCOI-UHFFFAOYSA-N 311.790 3.463 10 10 DGCE C[C@H](Nc1cccc(NS(C)(=O)=O)c1)c1ccc(F)cc1O 170789033 RIWNBIZIXGVJAR-JTQLQIEISA-N 324.377 3.076 10 10 DGCE COc1cc(I)c2scc(O)c2c1 306697373 ZEYWFEANCDFMIU-UHFFFAOYSA-N 306.124 3.220 10 10 DGCE C[C@H](NCc1nnc2ccccn12)c1cc2c(cc1O)CCCC2 183809037 GLPMSPOOXVFJRM-ZDUSSCGKSA-N 322.412 3.165 10 10 DGCE CN[C@H](C)c1ccc(N2CCN(CC(C)C)CC2)cc1Cl 78927332 XXOSXFYNOCETCZ-CQSZACIVSA-N 309.885 3.398 10 10 DGCE CCC[C@H]1CCCCN1c1cc2c(cc1Cl)[C@H](N)C(=O)N2 211430700 SGARLLCSMQJHBS-BONVTDFDSA-N 307.825 3.451 10 10 DGCE C[C@H](NCc1ncc(C(F)F)s1)c1cc(O)ccc1O 2369603142 JVFRPYVEOZSFOU-ZETCQYMHSA-N 300.330 3.343 10 10 DGCE C[C@@]1(C2CC2)CN(c2ccc(OC(F)(F)F)cc2)CCN1 86122614 OSESNUXLYQHYNB-AWEZNQCLSA-N 300.324 3.164 10 10 DGCE CC[C@](CCCSc1nccs1)(NC1CC1)C(=O)O 234177541 GUFGYWNQTGSIID-CYBMUJFWSA-N 300.449 3.001 10 10 DGCE CCOc1ccc(O)c(CN(C)Cc2cc(Cl)cn2C)c1 91931305 CFXAKEDEJOSODH-UHFFFAOYSA-N 308.809 3.415 10 10 DGCE COc1ccc([C@@H](C)NCc2cccc(OC)c2O)cc1F 237235454 HAYNEGZXNKHQJO-LLVKDONJSA-N 305.349 3.399 10 10 DGCE CCN1CCC[C@@H]1CNCc1ccc(N2CCCCC2)cc1 236836813 STOASSZRWYVEHF-LJQANCHMSA-N 301.478 3.251 10 10 DGCE C[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccc(F)c(F)c1O 249106595 QPBFPMJBRLWMGG-PLVUELBSSA-N 309.356 3.279 10 10 DGCE CC[C@H](N[C@H](C)[C@H](C)CO)c1cc(Br)ccc1O 252945660 MBJNKSNVULWBPJ-BREBYQMCSA-N 316.239 3.212 10 10 DGCE CN(C)c1ccc(CN[C@@H](CO)c2ccc(Cl)cc2)cc1F 289722914 FSBRZJXWXZMWEI-INIZCTEOSA-N 322.811 3.368 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)c1cncc(Cl)c1 296358297 JIOUQUGBNWFDBU-UHFFFAOYSA-N 303.793 3.073 10 10 DGCE CC1(C)CN(Cc2cc3c(cc2O)CCC3)[C@H]1[C@H]1CCCO1 811778263 LDVMLJAVNVRNMM-MSOLQXFVSA-N 301.430 3.270 10 10 DGCE Cc1ccc(CN(CCO)Cc2ccc3ccccc3c2O)o1 816596718 NLSRXOMWBBOAOM-UHFFFAOYSA-N 311.381 3.441 10 10 DGCE CN(Cc1ccccc1O)c1nc2c(cc1[N+](=O)[O-])CCCC2 825880807 HOJGBDKHMDLBDJ-UHFFFAOYSA-N 313.357 3.211 10 10 DGCE COc1ccccc1-c1cc(C)c(=O)n(Cc2ccc(N)cc2)c1 821181113 SCLKTTFHXILZSC-UHFFFAOYSA-N 320.392 3.463 10 10 DGCE CN(C)CCCC(C)(C)NC/C=C/c1ccc(N(C)C)cc1 835055525 VLZDNKLVRQJUDB-VQHVLOKHSA-N 303.494 3.476 10 10 DGCE C/C(=C\c1cccnc1)C(=O)NCc1ccc2c(c1)CCCN2C 846843219 NEYIRYPWWOOAKI-RVDMUPIBSA-N 321.424 3.184 10 10 DGCE COc1cccc([C@H](C)NCCN(C)C2CCCCC2)c1O 846142121 BZNWETJOQCDBIF-AWEZNQCLSA-N 306.450 3.316 10 10 DGCE C/C(=C/c1cccnc1)C(=O)N(CCN(C)C)c1ccccc1 846842506 YMVILHMEVRFPHS-PEZBUJJGSA-N 309.413 3.080 10 10 DGCE Cc1cc(N(C)C)ccc1CN[C@H](C1CCOCC1)C1CC1 846045213 VUZKLNJIIIEARD-IBGZPJMESA-N 302.462 3.356 10 10 DGCE CN(Cc1ccccc1O)C[C@H]1CCC[C@@H](C(F)(F)F)O1 929976235 MKYPESAXGKCUEG-OCCSQVGLSA-N 303.324 3.324 10 10 DGCE O=C(NCc1c(O)cccc1F)NC[C@H]1CCCC(F)(F)C1 922354139 FWBYRNHVZZLBGL-JTQLQIEISA-N 316.323 3.156 10 10 DGCE C[C@@]12CNC[C@@H]1CN(c1ccc(OCc3ccccc3)cc1)C2 1899859970 DIQZEWYDEOSXTM-XLIONFOSSA-N 308.425 3.311 10 10 DGCE CN(C)c1ccc(/C=C\CNCc2c(C3CC3)cnn2C)cc1 850379477 QLBKOAPVOMOXHT-PLNGDYQASA-N 310.445 3.167 10 10 DGCE C[C@H](N[C@@H]1CNCC[C@@H]1c1ccccc1)c1cc(F)ccc1O 854221899 BPUNCWHWGXFHRG-FDQGKXFDSA-N 314.404 3.328 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NCc1cn(C2CC2)cn1 865603826 NAPCSSLUYDDHPS-OAHLLOKOSA-N 312.461 3.313 10 10 DGCE CC[C@H](C[C@H](C)O)NCc1cc(C)cc(Br)c1O 865873736 HNBGHGNLDCAHBQ-CMPLNLGQSA-N 316.239 3.102 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN(C(=O)CCOCc2ccccc2)C1 1958667186 DKNQJBGHHGXPKZ-HNNXBMFYSA-N 302.378 3.142 10 10 DGCE Cc1cc(C(=O)N2Cc3cccc(O)c3C2)c(C(F)(F)F)o1 871203587 COIJNZHGFLRQRS-UHFFFAOYSA-N 311.259 3.468 10 10 DGCE O=C(CO[C@H]1CCCc2ccccc21)N1Cc2cccc(O)c2C1 871204525 FNXMUKRNKSISQY-IBGZPJMESA-N 323.392 3.329 10 10 DGCE Cc1cccc(CSCC(=O)N2Cc3cccc(O)c3C2)c1 871199528 QVKRBWACZWJWOL-UHFFFAOYSA-N 313.422 3.476 10 10 DGCE C[C@@H](NCc1cn(C)nn1)c1ccc(N2CCCCCC2)cc1 783531735 FDQWZTDPSAHXOU-OAHLLOKOSA-N 313.449 3.046 10 10 DGCE CN(Cc1ccc(Br)nc1)Cc1ccccc1O 1474377011 YOCBKUVGNMMAHV-UHFFFAOYSA-N 307.191 3.182 10 10 DGCE C[C@@H](NC[C@@H](C)N(C)Cc1ccccc1)c1cc(O)ccc1O 390541091 QZPRYGSNGXUHCL-HUUCEWRRSA-N 314.429 3.269 10 10 DGCE Oc1c(F)cc(Br)cc1CN1CC2(C1)CC2(F)F 895184979 YJNDBZROVKGZDM-UHFFFAOYSA-N 322.124 3.135 10 10 DGCE CC(=O)c1c(C)[nH]c(C(=O)NCc2cccc(Cl)c2O)c1C 890756443 DDRZGUJMBZXTLX-UHFFFAOYSA-N 320.776 3.123 10 10 DGCE CN(Cc1ccc(N)cc1)Cc1ccncc1Br 702864584 JBDGCPLRWMYZRH-UHFFFAOYSA-N 306.207 3.058 10 10 DGCE Oc1cccc(Br)c1CNCCOc1ccccc1 706821722 NCOJPZJVJYQWTE-UHFFFAOYSA-N 322.202 3.323 10 10 DGCE CN(C)c1ccc(NCc2c(O)cccc2Br)cn1 706829857 BWSVZHGAWOHMPG-UHFFFAOYSA-N 322.206 3.228 10 10 DGCE CC/C=C(/C)C(=O)N(C)[C@@H](C)CNCc1ccc(OC)c(C)c1 1319428287 GZIFNQWCRQHUKN-VCHSTOLQSA-N 318.461 3.296 10 10 DGCE COC(=O)c1ccc(O)c([C@@H](C)NC2CC3(C2)CC3(F)F)c1 1327607520 PGGWSOXZQRDWHP-IWPPJYEWSA-N 311.328 3.017 10 10 DGCE COC1CC(N(C)c2ccc([C@H](C)N)c(Br)c2)C1 1914799802 NZQUQNUMZGFETB-GCVQQVDUSA-N 313.239 3.082 10 10 DGCE CN(CCN=[N+]=[N-])C(=O)c1c(F)cc(Br)cc1F 1912210801 NXIDAIILNGLBOQ-UHFFFAOYSA-N 319.109 3.110 10 10 DGCE C[C@@H](NC(=O)c1cccc(-n2cccn2)c1)c1ccccc1O 1454808081 SLKVKARYJUORSO-CYBMUJFWSA-N 307.353 3.069 10 10 DGCE O=C(NCc1c(O)cccc1O)c1cc2ccc(F)cc2s1 1472061485 RHMKIRZUILXJKJ-UHFFFAOYSA-N 317.341 3.382 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N(Cc1ccco1)c1ccccc1 1628026026 GUUVOIWFXUIANP-UHFFFAOYSA-N 323.348 3.467 10 10 DGCE Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccccc1O 1635799006 LZSBRNNEDBJVJX-SNVBAGLBSA-N 318.304 3.239 10 10 DGCE COCn1cc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cn1 1630667233 CMNNZXDGXCMSEA-UHFFFAOYSA-N 324.384 3.147 10 10 DGCE CC(C)[C@H](Cc1ccccc1)NC(=O)NCc1ccccc1O 1565351311 CYFPVFVWXILLPF-KRWDZBQOSA-N 312.413 3.459 10 10 DGCE CCOc1ccc(N(CC)CC(=O)NCCC(C)(C)C)cc1 1644897654 WOCOGZIMIVFITM-UHFFFAOYSA-N 306.450 3.464 10 10 DGCE O=C(N[C@H]1CCc2cc(F)c(F)c(F)c21)c1cc(O)cs1 1569132335 BTLIQYNWWIZYIW-VIFPVBQESA-N 313.300 3.288 10 10 DGCE Cc1cc(CNC(=O)c2ncccc2O)c(C)n1-c1ccccc1 1643370456 NRDVYTZQCCMHRV-UHFFFAOYSA-N 321.380 3.125 10 10 DGCE COc1ccc(N(CCCCCNC(C)=O)CC(C)C)cc1 1654766802 BEAAPTRKSLOUSH-UHFFFAOYSA-N 306.450 3.464 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCC[C@H](C)C1 1673738102 UYHINURUDMNYPD-GOEBONIOSA-N 317.477 3.434 10 10 DGCE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[C@@H](N)c1ccccc1O 1936972944 DLKHWVMPCSJMAL-INWMFGNUSA-N 320.433 3.285 10 10 DGCE C[C@H]1CCN(CCCCN=[N+]=[N-])C[C@@H]1NC(=O)OC(C)(C)C 1962298752 HYWOXZHMJIFDAK-STQMWFEESA-N 311.430 3.312 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)OC1CCOCC1 158372547 PRFWVCANHLZBEX-UHFFFAOYSA-N 305.399 3.491 10 10 DGCE Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CCC[C@@]2(C)CO 2031811 XDUXBBDRILEIEZ-IBGZPJMESA-N 310.349 3.220 10 10 DGCE biogenic,in-vitro CN[C@H](c1ccccc1O)[C@@H]1C[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C 1982385015 NWXCOPMTYLEKFL-XKVFNRALSA-N 320.433 3.202 10 10 DGCE NC(=O)c1ccc(NCc2ccc(Cl)cc2O)cc1Cl 2146320717 LQSUTIRKAFOXBT-UHFFFAOYSA-N 311.168 3.410 10 10 DGCE CN1[C@H]2CC[C@@H]1C[C@H](NCc1cc(Cl)cc(Cl)c1O)C2 2154908528 GKYOWFFILSFXBB-CLLJXQQHSA-N 315.244 3.414 10 10 DGCE C[C@@H]1CN(c2ccc(OC(F)(F)F)c(Cl)c2)CC[C@H]1N 401286185 OGKDQWJJJUILPZ-LDYMZIIASA-N 308.731 3.412 10 10 DGCE C[C@@H]1CCOCC[C@@H]1NCc1cccc(Br)c1O 2046729801 GBUPJVLNSAZWFD-MFKMUULPSA-N 314.223 3.059 10 10 DGCE CN(Cc1cc(Cl)ccc1O)[C@H]1CO[C@@H](C(F)(F)F)C1 2185547455 WDEVBFJWKXLLSB-ZYHUDNBSSA-N 309.715 3.197 10 10 DGCE Nc1ccc(CN(C(=O)C2(Br)CCC2)C2CC2)cc1 2111900066 GKJMLPJEKNZKBT-UHFFFAOYSA-N 323.234 3.077 10 10 DGCE CC[C@H]1CN[C@H](C)CN1c1ccc(OC)cc1Br 2221622890 CNSNRXODCRDIHU-MNOVXSKESA-N 313.239 3.034 10 10 DGCE COc1ccc(N2CC[C@H](N)[C@@H](C)[C@@H]2C)c(Br)c1 2221628266 VABVLXZARBANCU-KWBADKCTSA-N 313.239 3.020 10 10 DGCE CNCc1ccc(N2CC[C@H]3C[C@@]3(F)C2)cc1Br 2222711247 XXHAILHSWSDZRO-SMDDNHRTSA-N 313.214 3.107 10 10 DGCE C[C@H](N)c1ccc(N2CC(OC(F)(F)CF)C2)cc1Cl 2237637154 MYVMBTBWDNGDIC-QMMMGPOBSA-N 308.731 3.127 10 10 DGCE N[C@@H](c1ccccc1O)[C@@H](O)c1ccc(C(F)(F)F)s1 2295020057 VRDDMTVRJPGXAH-RYUDHWBXSA-N 303.305 3.206 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc(O)c(Cl)c1 2308081222 MHDQZQWXUARVHG-UHFFFAOYSA-N 305.717 3.109 10 10 DGCE Cc1ccc(CN[C@H](C)c2ncco2)c(O)c1Br 2327796873 OBLHLSHPFHVTFR-SECBINFHSA-N 311.179 3.302 10 10 DGCE Cc1ccc(CNCc2ccn(C)c2)c(O)c1Br 2327796134 CALZAQMILZZRPF-UHFFFAOYSA-N 309.207 3.091 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)c1cc(Cl)cc(Cl)n1 2335532045 BBBHQKGVHRBMOW-HTQZYQBOSA-N 300.149 3.350 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@]1(C)CNCc1ccccc1O 309728231 ODYHJKCDQSGKHY-SFHVURJKSA-N 320.433 3.271 10 10 DGCE C[C@@H]1CCC[C@@H](S(=O)(=O)CCCOc2ccc(N)cc2)C1 54692109 FTOFGAKKLGWGQH-CZUORRHYSA-N 311.447 3.031 10 10 DGCE CC[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)c1nccs1 121187272 ADMAOPQQICLZIH-CQSZACIVSA-N 318.446 3.160 10 10 DGCE Nc1ccc(Oc2ccccc2I)nc1 35453989 KNHUNWNKDJQVJZ-UHFFFAOYSA-N 312.110 3.061 10 10 DGCE Cc1ccc([C@@H](C)Nc2cccc(S(C)(=O)=O)c2)c(O)c1 37763478 FQQLIMFHVQNDPW-GFCCVEGCSA-N 305.399 3.277 10 10 DGCE Cc1nc(CN(C)C(=O)c2cc(C)n(-c3ccccc3)c2C)no1 181821692 UJYQGAJATLBWKO-UHFFFAOYSA-N 324.384 3.058 10 10 DGCE C[C@H]1CCN(c2ccc(/C=C\C(=O)O)cc2Br)C1 310599927 MDALYMUOEISYAE-ATPLWMGHSA-N 310.191 3.393 10 10 DGCE COc1ccc(O)c(CNCc2nc(-c3ccccc3)c[nH]2)c1 194312373 QWOPZUFIGHUBHX-UHFFFAOYSA-N 309.369 3.081 10 10 DGCE COc1ccc(N2CC[C@@H](C(=O)O)[C@@H]2c2ccc(F)cc2)cc1 40442887 UUWPKFBWNJTZDH-SJORKVTESA-N 315.344 3.487 10 10 DGCE C[C@H](NC/C=C/CNC(=O)OC(C)(C)C)c1ccc(F)cc1O 227759726 ZZHVEQKMGFEFSJ-FYJFLYSWSA-N 324.396 3.263 10 10 DGCE c1ccc(CCOCCCNCc2ccc3c(c2)CCO3)cc1 236722630 JVLYDVLHUHXTGR-UHFFFAOYSA-N 311.425 3.361 10 10 DGCE COc1ccc2c(c1)N[C@](C)(C(C)C)CN2C[C@H]1CCCNC1 606610953 LZUOEEPAAVCDLY-KXBFYZLASA-N 317.477 3.341 10 10 DGCE CCOc1ccc(O)c(CN[C@H]2CCO[C@@H](C(C)(C)C)C2)c1 270606068 BRSAUIUNORJHCH-WMLDXEAASA-N 307.434 3.474 10 10 DGCE C[C@@H](O)C(C)(C)NCc1ccc(N(C)C)cc1C(F)(F)F 280165760 FWTJUZANGAUOSE-SNVBAGLBSA-N 304.356 3.020 10 10 DGCE CCC1CN(c2ccc(/C=C\C(=O)O)c(Br)c2)C1 704648566 WKPMUUDYCXESKZ-XQRVVYSFSA-N 310.191 3.393 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)c2cc[nH]c2C2CCC2)c1 813488833 GRIOSEFJSDXAEW-LLVKDONJSA-N 314.385 3.487 10 10 DGCE Oc1cccc(Cl)c1CNc1ccc(C(F)(F)F)nn1 811838415 HZXTXRVNYXIQHZ-UHFFFAOYSA-N 303.671 3.467 10 10 DGCE CC[C@H](C)[C@H](NC(=O)c1ccccc1C(=O)N=N)/C(O)=C\N=N 575244139 UIKXJFWUZGAGQF-KZWRQSNPSA-N 317.349 3.433 10 10 DGCE CC(=O)[C@@H](OC(=O)c1cc(C)n(-c2ccccn2)c1C)C(C)C 828702463 VRBMNTQWWHCXOF-KRWDZBQOSA-N 314.385 3.260 10 10 DGCE C[C@@H](c1ccco1)N(C(=O)/C=C\c1ccc(O)c(O)c1)C1CC1 588408098 LEINHWGRHSUBDQ-LRAPTIAOSA-N 313.353 3.456 10 10 DGCE C[C@H](NCc1ccc(N(C)C)c(F)c1)[C@](C)(O)c1ccccc1 846035747 DIJWPHRGMLTXKD-LIRRHRJNSA-N 316.420 3.278 10 10 DGCE CC(C)C(=O)N1CCC(N[C@H](C)c2ccc(Cl)cc2O)CC1 841743543 AVQJQVVBBZLCQI-GFCCVEGCSA-N 324.852 3.343 10 10 DGCE C[C@@H](N)c1ccc(CNCc2ccc(N(C)C)c(F)c2)cc1 841028401 DCOCLZSJOAZHMP-CYBMUJFWSA-N 301.409 3.201 10 10 DGCE CC[C@H](C[C@@](C)(O)CC)N[C@H]1CCN(c2ccc(OC)cc2)C1 926680253 LGGXNFSDSSFFTQ-GJYPPUQNSA-N 320.477 3.193 10 10 DGCE Cc1cccc(CO[C@H](C)C(=O)NCc2c(O)cccc2F)c1 928709648 KHWMDFIQFWTPCA-CYBMUJFWSA-N 317.360 3.061 10 10 DGCE COc1ccc(C)cc1[C@H](C)NC(=O)c1ccc(C)c(O)c1O 751534216 VLWDLRPHLSSFFT-LBPRGKRZSA-N 315.369 3.214 10 10 DGCE O=C(NCC[C@@H]1CC1(F)F)NCc1ccc(N2CCCC2)cc1 856825869 NJULKHAUJSMEKH-CQSZACIVSA-N 323.387 3.131 10 10 DGCE O=C(Nc1cnc2c(c1)CCCC2)N1Cc2cccc(O)c2C1 930767429 GNUVNLKGLKELKL-UHFFFAOYSA-N 309.369 3.214 10 10 DGCE CN(C)c1cc(F)c(CN2CC[C@@]3(C2)CC3(F)F)cc1F 862403358 YVRDUMFNJSPECX-AWEZNQCLSA-N 302.315 3.262 10 10 DGCE COc1cc(C)c(CN(C)c2ccc(OC)c(OC)c2)c(C)n1 761219711 BDKFHWOKYMMOGQ-UHFFFAOYSA-N 316.401 3.361 10 10 DGCE CO[C@H](C)CN(Cc1cc(Cl)cc([N+](=O)[O-])c1O)C(C)C 769471678 AXMOLLBFONOXHK-SNVBAGLBSA-N 316.785 3.199 10 10 DGCE CN(C)c1ccc(CN2CC[C@@H](C(C)(C)C)[C@H](O)C2)cc1F 779432109 KOWPMHVDHRIWMS-RHSMWYFYSA-N 308.441 3.121 10 10 DGCE COc1ccc(CNC(=O)CC(C)(C)CC(F)(F)F)c(O)c1 879847091 UOLRXXUTJLQNRE-UHFFFAOYSA-N 319.323 3.386 10 10 DGCE COc1c([N+](=O)[O-])ccc(CN(C)C[C@H]2CC=CCC2)c1O 775061107 SATCUMCWIQNKEO-LBPRGKRZSA-N 306.362 3.097 10 10 DGCE COc1ccc2ccc(O)c(CN3CCn4cc(C)nc4C3)c2c1 782281557 VFXWVFURBABFBA-UHFFFAOYSA-N 323.396 3.075 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)C[C@H]2CCC(F)(F)C2)c1 797942949 LTJZTRMIFRJQKW-WDEREUQCSA-N 313.344 3.404 10 10 DGCE Oc1c(Cl)cccc1CNCCOC(F)(F)C(F)(F)F 720266906 COTHLXOQNPLDER-UHFFFAOYSA-N 319.657 3.307 10 10 DGCE COc1cccc(CNC(=O)c2ccc(F)c3occc23)c1O 1150543411 OBMMJCNTUGYGBB-UHFFFAOYSA-N 315.300 3.216 10 10 DGCE Oc1c(Br)cccc1CN1[C@H]2CC[C@@H]1[C@H]1CC[C@@H]2O1 1900444798 LFMICQZGAOQQCL-KPWCQOOUSA-N 324.218 3.049 10 10 DGCE CN(C)c1ccc([C@H](N)[C@@H]2CC[C@H]2NC(=O)OC(C)(C)C)cc1 1898029954 VOKIDXMOCNXDDX-OAGGEKHMSA-N 319.449 3.056 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)[C@@H]1Cc2cccnc2C1 1263819934 HHEHQZAYTZWYIG-QGZVFWFLSA-N 324.424 3.331 10 10 DGCE CN(C)c1ccc(CNC(=O)Cc2ccc3cccnc3c2)cc1 1348910137 LXNGJAWPTHTPTQ-UHFFFAOYSA-N 319.408 3.160 10 10 DGCE CN(CCCCN1CCCCC1)Cc1ccc(N(C)C)cc1 1197286537 XQVCHBQPODFEGO-UHFFFAOYSA-N 303.494 3.451 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN(C(=O)CC(F)(F)C(F)(F)F)C1 1912200686 KKVCRLGSTJPVCP-SSDOTTSWSA-N 300.231 3.123 10 10 DGCE C[C@@H]1C[C@@H]2C[C@H]2C[C@@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 1532654732 BLSIFIOWPYRXQD-NYTXWWLZSA-N 314.429 3.160 10 10 DGCE CC(C)c1ccc(/C=C2\C(=O)NN(c3ccc(F)cc3)C2=O)cc1 444526 BWUVOAIVGRQVCZ-GZTJUZNOSA-N 324.355 3.411 10 10 DGCE CCCN(CCC)c1ccc(CNCCCOC)cc1OC 212654766 USKVPUMOQVBRCH-UHFFFAOYSA-N 308.466 3.448 10 10 DGCE COc1ccccc1SCC(=O)N[C@@H](C)c1ccccc1O 1635803419 DTQOQTZOLAFJPK-LBPRGKRZSA-N 317.410 3.370 10 10 DGCE CCOC(=O)CCCCCCCNC(=O)c1cc(O)cs1 1634873515 WISZSGQNAODDCX-UHFFFAOYSA-N 313.419 3.087 10 10 DGCE Cc1cccc(OCC(=O)NCc2cccc(Cl)c2O)c1 1640401814 FPRPSAXVCXTQQC-UHFFFAOYSA-N 305.761 3.049 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2cc(F)c(F)c(F)c2F)c1 1645800535 IQKJCHJKJUZYKH-UHFFFAOYSA-N 313.250 3.187 10 10 DGCE Cn1cnc(/C=C\C(=O)N2CC(C)(C)c3cc(Cl)ccc32)c1 1596344232 HEQNXWZSPZVITL-ALCCZGGFSA-N 315.804 3.411 10 10 DGCE Cc1ccc(CNCc2nc(C)ccc2Br)c(O)c1 2139767396 MCGSYAHOHAXVFD-UHFFFAOYSA-N 321.218 3.456 10 10 DGCE CC(C)(C)OC(=O)N1Cc2ccccc2CN1CCN=[N+]=[N-] 1962303602 IAGSAQZLCNGXLL-UHFFFAOYSA-N 303.366 3.465 10 10 DGCE C[C@H]1CN(CCCCN=[N+]=[N-])C[C@@H](C)N1C(=O)OC(C)(C)C 1962305680 UNOKLSOCYDWQIH-BETUJISGSA-N 311.430 3.407 10 10 DGCE CCN(C)CCN[C@H](C)c1ccc(N2CCCCC2)c(F)c1 158760658 ZHOGTIOQWMBQDQ-OAHLLOKOSA-N 307.457 3.418 10 10 DGCE Nc1ccc(NC(=O)CCCCCC(=O)N2CCCCC2)cc1 1866219539 ZGFOAFPZUMBVKH-UHFFFAOYSA-N 317.433 3.170 10 10 DGCE Oc1cccc(Cl)c1CN[C@@H]([C@@H]1CCOC1)C(F)(F)F 2143638033 JGKPMGJXSXXCTJ-PELKAZGASA-N 309.715 3.103 10 10 DGCE COCc1cc(CNCc2cc(Cl)cc(Cl)c2O)on1 1964070203 QZONUPYJTXBXHQ-UHFFFAOYSA-N 317.172 3.123 10 10 DGCE C[C@H]1CN(c2ccc([C@@H](C)N)c(Br)c2)C[C@@H]1F 1947330464 CPQXPWVFSGTQPO-RWEMILLDSA-N 301.203 3.263 10 10 DGCE [N-]=[N+]=NCC1(CNC(=O)c2sccc2Br)CC1 2006021551 VNYRRQPRHQCIFM-UHFFFAOYSA-N 315.196 3.331 10 10 DGCE CC(C)(NCc1ccc(Br)cc1O)[C@H]1CCCO1 1967842885 FOMDXKXLXDCCJT-CYBMUJFWSA-N 314.223 3.202 10 10 DGCE CN(Cc1cc(Cl)cs1)c1ccc2c(c1)NC(=O)[C@H]2O 2150408964 VDHRAJHWNXHAAS-ZDUSSCGKSA-N 308.790 3.023 10 10 DGCE CCN(C[C@@H](NC)c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C 1977947048 ZWQACUVKFLVVHY-MRXNPFEDSA-N 321.465 3.270 10 10 DGCE CC[C@H]1CN(c2ccc(CN)cc2C(F)(F)F)CCS1 157816266 MGZTUEMYCBOHRU-NSHDSACASA-N 304.381 3.496 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1C[C@H](CC[C@H](N)c2ccccc2O)C1 1985718369 LMSKTSMOJCAKDI-YDHLFZDLSA-N 320.433 3.476 10 10 DGCE O[C@H]1CCc2cc(N(Cc3ccccc3)[C@@H]3CCOC3)ccc21 1986602211 CJKGOOZULCEMNA-QUCCMNQESA-N 309.409 3.462 10 10 DGCE CC(C)(O)CN(Cc1ccccc1)c1ccc2c(c1)CC[C@@H]2N 1986608267 CGEVPHGFWDQZGD-IBGZPJMESA-N 310.441 3.410 10 10 DGCE CN(Cc1ccccc1)[C@H]1CCN(c2ccc3c(c2)CC[C@@H]3N)C1 2012706520 FEEIMQKDWYTGGO-FPOVZHCZSA-N 321.468 3.343 10 10 DGCE CC(C)[C@H](CN(C)C)NCc1cc(Cl)cc(Cl)c1O 49196241 JWDQUWPQEDXKQS-ZDUSSCGKSA-N 305.249 3.375 10 10 DGCE CC(F)(F)C1CN(c2ccc(CN)c(Br)c2F)C1 2034063610 GOUIGCYULOYUEC-UHFFFAOYSA-N 323.156 3.138 10 10 DGCE CC[C@H](CNC(=O)OC(C)(C)C)N[C@@H]1CCc2cccc(O)c21 309720437 NOEWWHAYSGVZHS-ZIAGYGMSSA-N 320.433 3.272 10 10 DGCE CN(c1cc(Cl)c(CN)cc1F)[C@H]1CCCCC[C@@H]1O 2177389816 VNOQPOMYCLTGQP-ZFWWWQNUSA-N 300.805 3.068 10 10 DGCE Oc1c(F)cc(Br)cc1CNCCc1ccco1 715799135 YAFITRNDPKIKSG-UHFFFAOYSA-N 314.154 3.219 10 10 DGCE CN1CCc2cc([C@H](CN)N(Cc3ccccc3)C3CC3)ccc21 383600948 VDDAECFYBGYULI-NRFANRHFSA-N 321.468 3.343 10 10 DGCE Cc1nc(C)c(CNCc2cc(Br)ccc2O)o1 385543623 VCFSUKICYOSYNN-UHFFFAOYSA-N 311.179 3.049 10 10 DGCE CN(CC[S@@](C)=O)c1ccc(CNC(C)(C)C)cc1Cl 399085849 MUFOPBPKXDKZGY-HXUWFJFHSA-N 316.898 3.043 10 10 DGCE CN(C)c1ccc(Cn2c(Cl)nc(Cl)c2C(=O)O)cc1 2175466980 SYRKRUXYYYSJAR-UHFFFAOYSA-N 314.172 3.002 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@@H]2CCC=C2Br)c1 2076080964 ZGUKXAZLZSSSCU-TVQRCGJNSA-N 312.207 3.493 10 10 DGCE C[C@@]1(F)CN(CCc2ccc(N)cc2)C[C@@]1(C)Br 2084850893 FEJSMWKEBRGWPR-ZIAGYGMSSA-N 315.230 3.009 10 10 DGCE CO[C@@H]1C[C@H](C)CN(Cc2ccc(Br)cc2O)C1 2085081259 OSRSGRJCYJNPRW-GXFFZTMASA-N 314.223 3.012 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@H]1NC(=O)c1ccc(Br)s1 2213584508 DZIVIFIJDUOULN-RQJHMYQMSA-N 315.196 3.472 10 10 DGCE [N-]=[N+]=NCC1CCN(Cc2cc(Br)ccn2)CC1 2219109372 VDZYHZWCAJPGPT-UHFFFAOYSA-N 310.199 3.366 10 10 DGCE COc1ccc(Br)c(CN[C@H](C)[C@@H]2C[C@H]2C)c1O 2220462540 MUWJWHHOCBBWLB-OPRDCNLKSA-N 314.223 3.297 10 10 DGCE COCCCCCCNCc1c(O)cccc1Br 2221360027 BQOZBSXQENOJFK-UHFFFAOYSA-N 316.239 3.451 10 10 DGCE CCNCc1ccc(N(C)C[C@]2(F)CCOC2)cc1Cl 2238288525 VWOKQFQOWFYBFL-OAHLLOKOSA-N 300.805 3.014 10 10 DGCE CN[C@H](C)c1ccc(N2CC[C@H](OC(F)F)C2)cc1Cl 2238877551 FUWCIJAONZWWGB-KOLCDFICSA-N 304.768 3.438 10 10 DGCE CSc1ncc(CN[C@@H](C)c2cnc3sccn23)s1 2269279191 PVLRDQQXWIRRHB-QMMMGPOBSA-N 310.473 3.425 10 10 DGCE CC[C@H](C)[C@@H]1CN(Cc2cnc(SC)s2)[C@@H](CC)CN1 2284677035 MTDRCINUYYLTLV-OBJOEFQTSA-N 313.536 3.464 10 10 DGCE CC(F)(F)c1ncc(C(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])s1 2289297019 PBYNAJAZENJHCI-BQBZGAKWSA-N 301.322 3.216 10 10 DGCE Cc1ncc(C=CC(=O)N2CCN(C)c3ccc(F)cc32)s1 2297702432 HAVAUWASSNMWGC-UHFFFAOYSA-N 317.389 3.087 10 10 DGCE CN1CCN(C(=O)C=Cc2ccc(Cl)nc2)c2ccccc21 2304400900 FQUXGLAEGVJGGP-UHFFFAOYSA-N 313.788 3.231 10 10 DGCE CC[C@@H](NC(=O)C=Cc1ccc(O)c(O)c1)c1nc(C)cs1 2307987276 PHEUJMXYDBZGQO-GFCCVEGCSA-N 318.398 3.143 10 10 DGCE C[C@H]1CN(C(=O)C=Cc2ccc(O)c(O)c2)[C@@H]1c1ccccc1 2307987958 VICGHQFUCQZQKK-DJJJIMSYSA-N 309.365 3.331 10 10 DGCE COc1cccc2c1N(C(=O)/C=C/c1cnc(C)s1)CCC2 112234303 LSOANCWEINLMIF-CMDGGOBGSA-N 314.410 3.453 10 10 DGCE Cc1cc2c(N)cccc2n1C(=O)[C@H](C)Cc1ccc(O)c(O)c1 170025771 MMKDVNIEFFAMPO-LLVKDONJSA-N 324.380 3.462 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](CCOc2ccc(N)cc2)C1 1952756874 JCJAYMZLICQUSF-CYBMUJFWSA-N 306.406 3.295 10 10 DGCE COc1cc(CNCCCSc2nccs2)ccc1O 180149832 SISADJWWDILPHX-UHFFFAOYSA-N 310.444 3.129 10 10 DGCE COc1ccc(N(C[C@H](O)CC(F)(F)F)C(C)C)cc1F 189646183 YIUMAUHXPJBCAP-LLVKDONJSA-N 309.303 3.362 10 10 DGCE CSC1CCN(c2ccc(CN)c(Br)c2)CC1 379841511 BUBLUGYSUAZWBJ-UHFFFAOYSA-N 315.280 3.240 10 10 DGCE CCCNCc1ccc(N2C[C@H]3[C@H](O)CC[C@H]3C2)c(Cl)c1 228064313 JOQJMHPYYBHGBJ-JJRVBVJISA-N 308.853 3.047 10 10 DGCE COCCN(c1ccc([C@@H](C)N)c(Br)c1)C1CC1 234661562 PUBOIZNMCMZEON-SNVBAGLBSA-N 313.239 3.084 10 10 DGCE Cc1cc(-n2c(C)cc(C(=O)O)c2C)ncc1Br 94063456 GHVLLVDVZVPLLA-UHFFFAOYSA-N 309.163 3.258 10 10 DGCE CC(C)(C)OC(=O)NC/C=C\CN[C@@H]1CCc2cccc(O)c21 381908110 YVLFPTWRVXEHQX-ZRUQZJFASA-N 318.417 3.050 10 10 DGCE Cc1cc(Cl)cc(CN2CCCN(CC(F)F)CC2)c1O 809757520 PJICILHQEBQMLV-UHFFFAOYSA-N 318.795 3.127 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCOC1(C)C 298000023 CZPVDSPMPMSUKS-MRXNPFEDSA-N 320.433 3.271 10 10 DGCE COc1ncc(/C=C/C(=O)N2CC(C)(C)Cc3ccccc32)cn1 816902622 YQTGLFYQPGUCST-CMDGGOBGSA-N 323.396 3.114 10 10 DGCE Cn1ncc(C2CCC2)c1CNCc1cc(Cl)cc(F)c1O 827400558 ATSWJQFHLSVJCU-UHFFFAOYSA-N 323.799 3.476 10 10 DGCE C[C@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)C1CCCCC1 837589233 XLXPFYSAEMZASM-CUZBXDDWSA-N 318.369 3.192 10 10 DGCE CCCN(C)C[C@H]1CCN(C/C=C/c2ccc(N(C)C)cc2)C1 835027121 BJQSDCNUTLPSRF-OVKVCFKUSA-N 315.505 3.430 10 10 DGCE Cc1cc(O)c(CNC[C@@H](CO)c2ccccc2)c(Cl)c1 840903828 QOFLBPIALBINBV-AWEZNQCLSA-N 305.805 3.220 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)Cc1cc2n(n1)CCC2 844277616 DVZPWSMCCRHGFJ-UHFFFAOYSA-N 312.461 3.306 10 10 DGCE Oc1cc2c(cc1CN1CCCC[C@@H]1[C@H]1CCC[C@H]1O)CCC2 840118728 ZSHYCFPTTYLNJP-GUDVDZBRSA-N 315.457 3.396 10 10 DGCE CCOc1cccc(CN[C@@H](c2cnn(C)c2)C(C)(C)C)c1O 748245621 BZAPNEICTDJEJS-KRWDZBQOSA-N 317.433 3.401 10 10 DGCE C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1CC1(C)C 850406461 HFYNLTPYFPCXFK-RDTXWAMCSA-N 302.462 3.172 10 10 DGCE CCN(C)c1ccc([C@H](C)NC[C@@H]2CNCCC2(F)F)cc1 925779999 DDGXGXMXQBJNHJ-ZFWWWQNUSA-N 311.420 3.038 10 10 DGCE COc1ccc(N2CC[C@@H](NCc3ccc(F)cc3)C2)cc1 850345865 MQXIYWLXYXHVSO-MRXNPFEDSA-N 300.377 3.203 10 10 DGCE Cc1cc(C)cc(-n2c(C)cc(C(=O)N3CCC34COC4)c2C)c1 854838488 LMVDUTSYXSKOMA-UHFFFAOYSA-N 324.424 3.326 10 10 DGCE FC(F)C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 769445179 DDBVBJOTGBZANK-UHFFFAOYSA-N 310.388 3.000 10 10 DGCE C[C@@H]1O[C@H](C)C[C@@H]1N[C@H](C)c1ccc(Br)cc1O 866442873 DQTCZHNDINHJKY-DNJQJEMRSA-N 314.223 3.371 10 10 DGCE CCc1oc(C(=O)NCc2ccc(N(C)C)cc2C)cc1C 760546487 YQSCTLIGZHKGCG-UHFFFAOYSA-N 300.402 3.455 10 10 DGCE CC(=O)c1cc(F)cc(CNC2([C@@H]3CCCCO3)CCC2)c1O 879732470 KAAPEMSVSOQEJW-INIZCTEOSA-N 321.392 3.315 10 10 DGCE COc1ccc2c(c1)CCCCN2C(=O)/C=C/c1cncc(O)c1 779675638 ZRMOGXLBCIBRPD-VMPITWQZSA-N 324.380 3.179 10 10 DGCE CCc1nnc(CN(CC)c2ccc(OC)c(OC)c2)s1 784177008 SVFRONKBCOTILE-UHFFFAOYSA-N 307.419 3.144 10 10 DGCE CN(C)c1ccc(/C=C/CN2CC[C@H]([C@H]3CCCO3)C2)cc1 895842612 ICZHRNQUDZEYTO-UJNJHQOQSA-N 300.446 3.267 10 10 DGCE Cc1cccc(CNCC2CC(NC(=O)OC(C)(C)C)C2)c1O 715079769 GKTWXCNHAVRGEB-UHFFFAOYSA-N 320.433 3.094 10 10 DGCE CSC1CC(NCc2cc(Br)cc(F)c2O)C1 715735058 CKEACLXAGPSJRQ-UHFFFAOYSA-N 320.227 3.277 10 10 DGCE C[C@H]1Oc2ccccc2[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 1160570218 BBZRGCJRKILECP-MEBBXXQBSA-N 324.340 3.101 10 10 DGCE CN(C)c1ccc(CNC(=O)/C=C\COc2ccccc2)cc1 1264262221 XQGLNEZODOKKIT-TWGQIWQCSA-N 310.397 3.004 10 10 DGCE CN(C)c1ccc(/C=C/CN2CC[C@@H]3OCCC[C@H]3C2)cc1 1344439616 WKVJHZFYGMYAEJ-ONFZBDQASA-N 300.446 3.267 10 10 DGCE CCCN(C)c1nnc(C)n1Cc1ccc(N(CC)CC)cc1 1500656751 ZBBBMOYTMXTCIK-UHFFFAOYSA-N 315.465 3.327 10 10 DGCE Cc1ccnc(C(=O)N2CCC[C@H]2CN=[N+]=[N-])c1Br 1912144689 XBRMRFUGKCDIIP-VIFPVBQESA-N 324.182 3.067 10 10 DGCE CC1(C)C[C@@H](C(=O)O)N(Cc2cc(Cl)cc(Cl)c2O)C1 1912577704 YOCIYOOFDREGMX-NSHDSACASA-N 318.200 3.384 10 10 DGCE C[S@@](=O)(=NC(=O)c1cc(O)cs1)c1ccc(Cl)cc1 1607005497 MYEIULWUEKUVKP-IBGZPJMESA-N 315.803 3.404 10 10 DGCE Cc1cc(CCCC(=O)NCc2c(O)cccc2O)c(C)s1 1639289140 LKADSDSZYTWHOP-UHFFFAOYSA-N 319.426 3.415 10 10 DGCE O=C(NCc1cc(O)ccc1O)C1(Sc2ccccc2)CC1 1633599249 UWHIJLDBVVYFRZ-UHFFFAOYSA-N 315.394 3.039 10 10 DGCE CN(C)c1ccc(C2(O)CCN(Cc3ccccc3)CC2)cc1 1962718258 FCZRAJQRSDGFCT-UHFFFAOYSA-N 310.441 3.236 10 10 DGCE CCOC(=O)[C@@H](NCCCN=[N+]=[N-])c1cccc(Cl)c1F 166895958 SAQOKMLNOOBOQI-LBPRGKRZSA-N 314.748 3.373 10 10 DGCE CC[C@H](NCCOc1ccc2c(c1)OCO2)c1ccccc1O 155271383 MBUVWDMTRMQLDI-HNNXBMFYSA-N 315.369 3.241 10 10 DGCE CCOC(=O)CCN(C)/N=N/c1ccccc1Br 1860481743 QSLJIZHNVAGAJZ-CCEZHUSRSA-N 314.183 3.333 10 10 DGCE COc1ccc(N2CCN(CC3CCCCC3)CC2)c(OC)c1 1201401713 QXJIDOCKNJTOCD-UHFFFAOYSA-N 318.461 3.406 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1COC[C@H]1C1CC1 914433244 MKPJQNZZJUSCJD-WCQYABFASA-N 302.201 3.214 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H](N)[C@@H]1c1ccc(Cl)cc1O 1952309408 VKPWFSRMHWUECL-YPMHNXCESA-N 312.797 3.055 10 10 DGCE Cc1nc(Br)sc1CN1CCC[C@@H](N=[N+]=[N-])C1 2011870302 NHYRDSGZTWINLJ-MRVPVSSYSA-N 316.228 3.489 10 10 DGCE C[C@@]12CC[C@@H](CN1c1ccc(CN)c(Br)c1F)C2 2029192599 JVXQTWUVFBGFQP-OTYXRUKQSA-N 313.214 3.426 10 10 DGCE C[C@@H]1CCN(c2cc(Br)c(CN)cc2F)C[C@@H]1F 2034816679 VQQLUPPBVLFELZ-PELKAZGASA-N 319.193 3.231 10 10 DGCE COc1ccc(C=C2C(=O)N(Cc3ccccc3)N=C2C)cc1 2053466439 AZESONXFMWKZCC-UHFFFAOYSA-N 306.365 3.497 10 10 DGCE Nc1ccc(CCc2nc(CCOCc3ccccc3)no2)cc1 395508512 BFLKLLIHUXMOBB-UHFFFAOYSA-N 323.396 3.196 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)c1cccc2c1COC2 2062766218 DENFGKIBSKSFCY-UHFFFAOYSA-N 323.392 3.231 10 10 DGCE CC(C)c1cc(C(=O)N(C)C)n(Cc2cccc(Cl)c2O)n1 2070096498 XMOXWGCUTMNBPE-UHFFFAOYSA-N 321.808 3.116 10 10 DGCE COc1cccc(Cn2ncc(C3CC3)c2Br)c1O 2070259933 PAIJXNVWVHDVJL-UHFFFAOYSA-N 323.190 3.286 10 10 DGCE COc1ccc(Cn2nc(C)c(C)c2Br)c(O)c1 2080107617 PYQSWSXXFLWYPF-UHFFFAOYSA-N 311.179 3.025 10 10 DGCE Oc1cc(Br)ccc1CNC[C@H]1C[C@@H]1C(F)(F)F 2041781904 ZTGFDVDGQATADV-SCZZXKLOSA-N 324.140 3.443 10 10 DGCE Cc1ncnc(C)c1NCc1cccc(Br)c1O 2067223451 SMXSZEVHCSTQDG-UHFFFAOYSA-N 308.179 3.174 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@@H]1COC2CC1C2 2208743771 HVZIJSAKKXAYDV-KRBLXSNTSA-N 302.201 3.214 10 10 DGCE CN1CCc2cc([C@@H](O)C(=O)c3cc(Cl)cs3)ccc21 2290364754 AHCNMPVWRWQCGG-CQSZACIVSA-N 307.802 3.310 10 10 DGCE CCOC(=O)c1cccc(NCc2cnc(SC)s2)n1 2284542757 XKOQGCYLZIJRIW-UHFFFAOYSA-N 309.416 3.049 10 10 DGCE COc1ccc(O)c(CNC(=O)C=Cc2cc3ccccc3o2)c1 2301549748 OVHBWKZPGLLJAR-UHFFFAOYSA-N 323.348 3.477 10 10 DGCE Cc1cncc(/C=C\C(=O)N2C[C@@H]3CCCN3c3ccccc32)c1 492204286 YJBIXYMNHBKZBM-JJEJIETFSA-N 319.408 3.419 10 10 DGCE O=C(C=Cc1ccc(Cl)nc1)N1CCc2c(F)cccc21 2309004905 CSPWYRKXWVWHBC-UHFFFAOYSA-N 302.736 3.477 10 10 DGCE CCOC(=O)[C@H]1CCCN(N=Nc2ccc(N(C)C)cc2)C1 2330221512 PUVADGWFXYICDQ-ZDUSSCGKSA-N 304.394 3.026 10 10 DGCE Cc1ccc(CN(C)CCOC(C)C)c(O)c1Br 2327567370 JOPPEXJIUSODKZ-UHFFFAOYSA-N 316.239 3.320 10 10 DGCE CO[C@H]1C[C@@H](N(C)Cc2ccc(C)c(Br)c2O)C1 2327616076 QVTLOGLRCQZRJP-TXEJJXNPSA-N 314.223 3.072 10 10 DGCE Cc1ccc(CN[C@@H](C)c2cn(C)cn2)c(O)c1Br 2352688275 TYSTTWDZFYTSIT-JTQLQIEISA-N 324.222 3.047 10 10 DGCE O=[N+]([O-])c1ccc(O)c(CN2CCCC[C@H]2c2nccs2)c1 170914420 LSRJUOLNUBTXDA-ZDUSSCGKSA-N 319.386 3.484 10 10 DGCE CC[C@]1(C)C[C@H]1C(=O)N1CCCN(c2ccc(OC)cc2)CC1 177207750 YRNKPKQDLVIDGQ-PKOBYXMFSA-N 316.445 3.170 10 10 DGCE O=S(=O)(Nc1ccc(O)cc1F)c1c(F)cccc1Cl 126402775 WMJWQGLHCCHWRC-UHFFFAOYSA-N 319.716 3.125 10 10 DGCE CC(C)(C)OC(=O)NCC1CCN(c2ccc(N)cc2)CC1 88261463 HWZMAJDCBOBJHW-UHFFFAOYSA-N 305.422 3.010 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1ccc2c(c1)CCN2 132992269 GFAAIXIOUDMSFL-UHFFFAOYSA-N 310.397 3.413 10 10 DGCE C[C@H]1CN(c2ccc([C@@H](C)N)c(Br)c2)[C@@H](C)CO1 235223077 XIOLPUGYDAZPHK-GARJFASQSA-N 313.239 3.082 10 10 DGCE Oc1ccc(Cl)cc1CNC[C@@H](n1cccn1)C(F)(F)F 527741536 DQSVDPUXVLCOIY-GFCCVEGCSA-N 319.714 3.135 10 10 DGCE CC(C)Oc1ccc(N2CCN(C(=O)NC(C)(C)C)CC2)cc1 242746139 DFVXHXWQVODZOO-UHFFFAOYSA-N 319.449 3.104 10 10 DGCE COc1ccc(O)c(CN[C@H]2[C@@H]3c4ccc(Cl)cc4C[C@H]32)c1 529639192 DJCFFNKEXGOUAT-KBAYOESNSA-N 315.800 3.482 10 10 DGCE CCOc1ccc(O)c(CNCc2ccnc(OC(F)F)c2)c1 283836922 FKJDXMGRGYGVMG-UHFFFAOYSA-N 324.327 3.077 10 10 DGCE CO[C@H](C)c1nsc(NCCCSc2nccs2)n1 800851489 CIRPFDZTVCTXLC-MRVPVSSYSA-N 316.477 3.296 10 10 DGCE c1cc(N2CCCCC2)ccc1CN1CCCc2n[nH]cc2C1 828013733 IVKAOBCBZGKBSD-UHFFFAOYSA-N 310.445 3.348 10 10 DGCE C[C@@]1(CCNC(=O)c2ccc(N=NC(N)=O)cc2)CC1(F)F 824552215 WHLNXWSXXKUKHS-CYBMUJFWSA-N 310.304 3.014 10 10 DGCE COCc1nccc2c1ccn2CCCOc1ccc(N)cc1 821289386 GOWMWHHDRHGYTC-UHFFFAOYSA-N 311.385 3.234 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)NCC1=CCOCC1 838642357 NRNSOSHZSPIEAL-UHFFFAOYSA-N 318.417 3.051 10 10 DGCE CC(C)N1CC[C@@H](N(C)C/C=C\c2ccc(N(C)C)cc2)C1 835054613 LOHBLQFXOABURE-LIXSYLKWSA-N 301.478 3.180 10 10 DGCE CN1CCC(C)(CNC/C=C/c2ccc(N(C)C)cc2)CC1 835043666 BAMXOSZWFXAHGO-AATRIKPKSA-N 301.478 3.087 10 10 DGCE CCN(CC)c1ccc(CN2CCO[C@@]3(CCSC3)C2)cc1 843418438 SWLXVZVCBSZZTG-SFHVURJKSA-N 320.502 3.241 10 10 DGCE Oc1ccc(F)cc1CNC[C@@H]1CSc2ccccc2O1 843417774 KRPQCZCRHLKUJJ-CYBMUJFWSA-N 305.374 3.174 10 10 DGCE C[C@]12CNC[C@@H]1CN(c1ccc(OCc3ccccc3)cc1)C2 1899859972 DIQZEWYDEOSXTM-YLJYHZDGSA-N 308.425 3.311 10 10 DGCE CN(Cc1cc2c(cc1O)OCO2)C[C@@H]1CCc2ccccc21 853611082 WGZOBOBTMVYVDW-AWEZNQCLSA-N 311.381 3.283 10 10 DGCE COc1cc(CN2CC3(CCCC3)OC[C@@H]2C)c(O)cc1C 853576620 CUIAWJUFWKDPQU-AWEZNQCLSA-N 305.418 3.243 10 10 DGCE CC[C@H](N[C@H]1Cc2ccccc2N(C)C1=O)c1ccc(C)cc1O 850500236 DTGHJCARVDGUCN-IRXDYDNUSA-N 324.424 3.329 10 10 DGCE c1cc(N2CCOCC2)ccc1CNc1ccc2c(c1)CCOC2 850382046 LVPPDBPNCYAYRY-UHFFFAOYSA-N 324.424 3.208 10 10 DGCE CCC[C@H]1COC[C@H]1NCc1cccc(Br)c1O 699558357 QZGRURWOHADUMT-WCQYABFASA-N 314.223 3.059 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H](C)O[C@H]1C 868110083 SBFMZYCKHMUFOT-IJEWVQPXSA-N 305.418 3.334 10 10 DGCE Oc1c(F)cc(Cl)cc1CN1CCO[C@@H](C(F)F)CC1 872256891 DZIIFXTUGBJDGE-LLVKDONJSA-N 309.715 3.041 10 10 DGCE Cc1cc(Br)c(O)c(CNCCc2ccco2)c1 781624608 LCURGKCZLFPLLS-UHFFFAOYSA-N 310.191 3.388 10 10 DGCE C[C@@H](NC(=O)c1csc(Cl)n1)c1ccc(N(C)C)cc1 781993144 BCGMCRDXMSNXTD-SECBINFHSA-N 309.822 3.354 10 10 DGCE CN(C(=O)Cc1ccc(O)c(O)c1)c1ccc(F)c(Cl)c1 1152823761 DXXUBOIQTAIZJK-UHFFFAOYSA-N 309.724 3.096 10 10 DGCE Cc1ccc(O)c(CNC(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]32)c1 1312332461 NHVYCTNUJRZSJU-YTQUADARSA-N 322.408 3.228 10 10 DGCE COc1ccc(Br)nc1NCCc1ccc(N)cc1 2119594643 LRUWAMLJDQQANQ-UHFFFAOYSA-N 322.206 3.090 10 10 DGCE Cc1cnc(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])c(Br)c1 1911243470 FHTGBAPHRIIMSP-SECBINFHSA-N 324.182 3.067 10 10 DGCE CCCCC(=O)N1CCC[C@H]1CNCc1ccc(OC)c(C)c1 1270007545 YZHWOMBOXTWZRX-KRWDZBQOSA-N 318.461 3.274 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)C[C@H]1CCCCO1 1353910443 JODQMVXBZUAUEG-GOSISDBHSA-N 316.445 3.204 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)c1coc(C(C)(C)C)n1 1435118440 MINWMNZFPJKYMK-UHFFFAOYSA-N 315.417 3.277 10 10 DGCE NCc1ccc(N(Cc2ccccc2)[C@H]2CCOC2)cc1F 1915472867 WHJFGGJIIQROLW-KRWDZBQOSA-N 300.377 3.080 10 10 DGCE CNCc1ccc(N(Cc2ccccc2)[C@@H](C)CO)c(Cl)c1 1914367775 ZFQMQDLVZYPTJV-AWEZNQCLSA-N 318.848 3.447 10 10 DGCE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)CN1c1ccc(CN)cc1 1921427922 ZAVPKIIGQLXUNN-MSOLQXFVSA-N 323.484 3.492 10 10 DGCE COc1nscc1CN(Cc1ccc(N(C)C)cc1)C1CC1 1615219659 OURHTQWXSXGAOE-UHFFFAOYSA-N 317.458 3.382 10 10 DGCE CCOC(=O)CCCCN(CC)c1ccc(OC)c(OC)c1 1616266226 SHBJYAJHURJJDT-UHFFFAOYSA-N 309.406 3.264 10 10 DGCE COc1ccc(CNC[C@@H](CC(C)C)NC(=O)C(C)C)cc1C 1568325014 BOZCLEACPNNMNZ-QGZVFWFLSA-N 320.477 3.280 10 10 DGCE CCN[C@@H](C[C@H](C)NC(=O)OC(C)(C)C)c1ccccc1O 1928469805 LWLUCWMJTTVEAC-JSGCOSHPSA-N 308.422 3.346 10 10 DGCE C[C@@H](NC(=O)c1cc(C=O)ccc1F)c1ccc(N(C)C)cc1 1567777060 ICPYXPIVVSEYFN-GFCCVEGCSA-N 314.360 3.195 10 10 DGCE CCC(C)(CC)C(=O)N(C)CCN(C)c1ccc(OC)cc1 1644438356 NVGFDHJWWLBZSK-UHFFFAOYSA-N 306.450 3.416 10 10 DGCE Cc1ccc(O)c(CNC(=O)CNc2ccccc2Cl)c1 1641732937 HFTAELADPRGWDF-UHFFFAOYSA-N 304.777 3.082 10 10 DGCE COc1ccc(N(C)C[C@H]2CC[C@H](C(F)(F)F)O2)c(OC)c1 1652957669 NDKVNVLTXZSKHA-BXUZGUMPSA-N 319.323 3.250 10 10 DGCE Cc1nnc(N(C)Cc2ccccc2O)n1CC1(C(C)C)CC1 1751882313 SJQFWTNOOBJFSI-UHFFFAOYSA-N 314.433 3.365 10 10 DGCE CC/C=C(\C)C(=O)NC/C=C\CNCc1ccc(OC)c(C)c1 1668731773 LPKDKTAEECZWBW-WLYYOSHGSA-N 316.445 3.122 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCC(C)(C)F 1686827283 ZPJMHRULHDIXGM-CYBMUJFWSA-N 309.429 3.039 10 10 DGCE CC[C@H](C)C(=O)NC[C@@H](NCc1ccc(OC)c(C)c1)C(C)C 1698960519 KMRPNKVFQXFTDO-WMLDXEAASA-N 320.477 3.280 10 10 DGCE COc1ccc(CN[C@H]2C[C@H](NC(=O)CCC(C)C)C2)cc1C 1690263805 NTPWSSDGKJTXBZ-QAQDUYKDSA-N 318.461 3.177 10 10 DGCE CNCc1ccc(OC)c(C[S@](=O)[C@H]2CCC[C@H](C)C2)c1 203654516 AJOYMICYHKPVDF-PCMMCCAGSA-N 309.475 3.242 10 10 DGCE COc1ccc(F)c(NC(=O)NCc2ccc(N(C)C)cc2)c1 151915428 SUONWUJJEVVIIX-UHFFFAOYSA-N 317.364 3.222 10 10 DGCE C[C@@H](NCc1ncnn1C)c1ccc(N2CCCCCC2)cc1 152990631 VVPRRJACJJOJPH-OAHLLOKOSA-N 313.449 3.046 10 10 DGCE CC[C@H](N[C@@H]1CCc2nc(C(C)C)nn2C1)c1ccccc1O 156508955 ALHIBPDEBLLHHK-HIFRSBDPSA-N 314.433 3.163 10 10 DGCE CN1CCC(N(C)/N=N/c2cccc(Br)c2)CC1 1860481668 MZCYIVQFDAOKQL-FOCLMDBBSA-N 311.227 3.474 10 10 DGCE CC(C)(C)OC(=O)N1CCN(/N=N/c2ccc(F)cc2)CC1 1860481261 BYMAJDBJKSJLTE-ISLYRVAYSA-N 308.357 3.377 10 10 DGCE CN(Cc1ccc(N)cc1)C(=O)c1cccn1Cc1ccccc1 1944020367 OHHOJMGEOWAHRB-UHFFFAOYSA-N 319.408 3.391 10 10 DGCE CN(c1ccc(N)cc1)[C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 1977970246 KVMIPHJJDKEZIP-CJNGLKHVSA-N 319.449 3.398 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCCC12CN(c1ccc(N)cc1)C2 1977931135 DWRRMNPKDYXRLS-OAHLLOKOSA-N 317.433 3.152 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@](N)(c2ccccc2O)C1(C)C 1987923479 JFPFCNPWSYEAFG-GOSISDBHSA-N 320.433 3.356 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@H]3C[C@H]2CN(Cc2ccccc2)C3)cc1 1997908764 AQCMFUMTCGPTGH-MMOPVJDHSA-N 322.452 3.451 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(S(=O)(=O)c2ccccc2Cl)CC1 2155554063 VMNFVYQXASNPHK-SNVBAGLBSA-N 314.798 3.194 10 10 DGCE Oc1cccc(CNCc2cc(C(F)(F)F)cs2)c1O 2161213726 BXGHMXNYPCXYHW-UHFFFAOYSA-N 303.305 3.468 10 10 DGCE Oc1c(Br)cc(Cl)cc1CNCc1cocn1 708113571 LRVYWYPXAQBXCZ-UHFFFAOYSA-N 317.570 3.086 10 10 DGCE C[C@@H](NCc1cnn(Cc2ccccc2)c1)c1c(O)cccc1O 390425211 LXZQIPDTSAGXSX-CQSZACIVSA-N 323.396 3.193 10 10 DGCE CC1(C)CN(Cc2cc(Cl)cc(Cl)c2O)CC[C@@H]1N 388741851 YZMVJARCUAXFDN-LBPRGKRZSA-N 303.233 3.258 10 10 DGCE COC(=O)c1cc(C2CCC2)nn1[C@H](C)c1ccc(F)cc1O 2069967394 JJUPGYVEWSWQHD-SNVBAGLBSA-N 318.348 3.391 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@H]1CCN(C2CCC2)C1 2169574209 RHFXSEHOEGHNCR-LBPRGKRZSA-N 315.244 3.415 10 10 DGCE Cc1cccc(O)c1Cn1nc(CN(C)C)cc1C(F)(F)F 2079160608 DLCUXRIDYAKKOC-UHFFFAOYSA-N 313.323 3.026 10 10 DGCE CC(C)NCc1ccc(N2CCSC2)c(Br)c1 2303469803 SQHCVFYLBVUHIV-UHFFFAOYSA-N 315.280 3.458 10 10 DGCE CN(C[C@H]1CC12CC2)c1ccc(CN)c(Br)c1F 2047198710 MUZHFASYTRRLSV-SNVBAGLBSA-N 313.214 3.283 10 10 DGCE Cc1cccc(CN=c2[nH]cc(Br)cc2C)c1O 2084057301 SKKLEOVJTVHOOT-UHFFFAOYSA-N 307.191 3.201 10 10 DGCE N[C@@H](CCCNC(=O)OCc1ccccc1)c1ccccc1O 2209262487 AEVJFXPZQOMNAK-INIZCTEOSA-N 314.385 3.099 10 10 DGCE C=Cn1cc(C=C2CCn3c2nc2sc(C)c(C)c2c3=O)cn1 2312130615 SMQGGPRVVLFUNI-UHFFFAOYSA-N 324.409 3.316 10 10 DGCE CS[C@@H]1CC[C@@H]1N(C)c1ccc(CO)cc1Br 2307888763 YBWOFVQZBOCRMI-QWHCGFSZSA-N 316.264 3.272 10 10 DGCE Oc1cc(Br)ccc1CN[C@@H]1C[C@@H]2C[C@H]1C[C@H]2F 2308607497 YRLZGSXDSFOKKR-YRRQLQLVSA-N 314.198 3.381 10 10 DGCE COc1ccc(C)cc1N=NN1CCN(c2ccccn2)CC1 2330234319 XNXWOFZKXNBROK-UHFFFAOYSA-N 311.389 3.220 10 10 DGCE COC(C)(C)[C@@H](N)c1c(O)cccc1NC(=O)OC(C)(C)C 1952884777 UEXAJNSQLHZYLG-ZDUSSCGKSA-N 310.394 3.164 10 10 DGCE O=[N+]([O-])c1ccc(O)c(CNc2nnc(C3CCCCC3)o2)c1 181628172 PEZZNPYCMWMLQP-UHFFFAOYSA-N 318.333 3.343 10 10 DGCE Nc1ccc(Oc2cccc(I)c2)nc1 34962941 NYGMTHZEIHAFMD-UHFFFAOYSA-N 312.110 3.061 10 10 DGCE COc1ccc([C@H](C)NC(=O)Nc2ccc(N)cc2)cc1OC 217313569 OBCPGQCYFRMDKU-NSHDSACASA-N 315.373 3.169 10 10 DGCE CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](C)c1cc(OC)ccc1O 192565189 TWSVFHKTFCPPRV-VIFPVBQESA-N 320.349 3.007 10 10 DGCE CCOc1cccc(CN[C@@]2(CO)C[C@@H](C)CC(C)(C)C2)c1O 236959521 KTSFHFLJTPRDGV-LIRRHRJNSA-N 321.461 3.458 10 10 DGCE C[C@H](CO[C@H]1CCOC1)N[C@H](C)c1ccc2ccccc2c1O 248525314 UJURBEHJQQPTDF-FMKPAKJESA-N 315.413 3.390 10 10 DGCE Cc1cc(F)cc2c1N(C(=O)/C=C\c1cnn(C)c1C)CCC2 255129765 LSHADIFXSCWOLO-SREVYHEPSA-N 313.376 3.169 10 10 DGCE CN[C@@H](C)c1ccc(N2CCCN3CCC[C@H]3C2)cc1Cl 251493490 DGICEDCLRZZYNB-ZFWWWQNUSA-N 307.869 3.295 10 10 DGCE CCOc1ccc(O)c(CN[C@H](C)[C@H](O)c2ccccc2)c1 288480232 GKJWJBQAHMQURH-ACJLOTCBSA-N 301.386 3.003 10 10 DGCE Cc1cc(Cl)cc([C@H](C)NCC[C@H](C)[S@@](C)=O)c1O 808706798 VCDXELMWIKGAAT-ZHYXMNDGSA-N 303.855 3.162 10 10 DGCE C[C@H](NC(=O)NCCC1(F)CCC1)c1ccc(N(C)C)cc1 805310398 SCGMYIFUNRCTRG-ZDUSSCGKSA-N 307.413 3.395 10 10 DGCE C[C@H](N[C@H](C)[C@H](O)c1ccccc1)c1cc(F)cc(F)c1O 808721087 HORBHWMZJKWCLH-USBNGQNGSA-N 307.340 3.443 10 10 DGCE CCC(C)(C)NC(=O)CN(c1ccc(OC)c(F)c1)C(C)C 725816473 WEFDZJPAAGMAJJ-UHFFFAOYSA-N 310.413 3.354 10 10 DGCE COc1ccccc1[C@@H](O)CNCc1cc(Cl)c(C)cc1O 825130726 DSMMVJNWTZVRMF-INIZCTEOSA-N 321.804 3.186 10 10 DGCE Cc1ccc([C@H](C)N[C@@H]2CCCN3CCSC[C@@H]23)c(O)c1C 903272490 UYLOVKYGPWXETF-UAGQMJEPSA-N 320.502 3.239 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@]2([C@@H](N)c3ccccc3O)C[C@@H]2C1 1897240970 SMLKTYWMAYLHGL-MRAWALMUSA-N 318.417 3.039 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1COCC1(C)C 838702132 RYNNEKAMYUHZST-MRXNPFEDSA-N 320.433 3.129 10 10 DGCE CN(C)c1ccc(CN[C@@H](c2cnn(C)c2)C(C)(C)C)cc1 748246289 LRQNPRUHJILZER-KRWDZBQOSA-N 300.450 3.363 10 10 DGCE COC(=O)c1ccc(CNCc2c(O)cc(C)cc2Cl)o1 840899404 WHCVZFJCAYXWHU-UHFFFAOYSA-N 309.749 3.023 10 10 DGCE COc1ccc(C2CCN(Cc3cccc(C)c3O)CC2)nc1 845997848 HUIDOGMAXIEZQD-UHFFFAOYSA-N 312.413 3.484 10 10 DGCE Cc1cc(C)c([C@@H](C)NC[C@@H]2CCC3(CCOCC3)O2)c(O)c1 927012064 FLZHCKHKXYEKCA-CVEARBPZSA-N 319.445 3.388 10 10 DGCE Cc1cc(CC(=O)OCc2cnn(C)c2)c(C)n1-c1ccccc1 853098787 MQXPSHSBUQHDAR-UHFFFAOYSA-N 323.396 3.114 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)NCC[C@H]1CCOC1 752393052 MRYOHJCRCCVNSO-AWEZNQCLSA-N 318.442 3.312 10 10 DGCE CN(Cc1cccs1)c1ccc(CN[C@H]2CCC[C@@H]2O)cc1 865736286 AHHCDUUHDNCZST-ROUUACIJSA-N 316.470 3.388 10 10 DGCE C[C@@H](NCC[C@@H](O)C(F)F)c1ccc(Cl)c(Cl)c1O 866442103 DRIXSWIYLRIYPJ-HZGVNTEJSA-N 314.159 3.366 10 10 DGCE CC[S@](=O)CCN[C@@H](C)c1cc(Cl)c(Cl)cc1O 774181035 DPCBIJGKXHQPQR-ASCAZGACSA-N 310.246 3.118 10 10 DGCE C[C@H](NC(=O)C[C@H]1CCC2(CCC2)CO1)c1ccccc1O 899182119 SARLQUCQQLYGMG-UONOGXRCSA-N 303.402 3.309 10 10 DGCE CS[C@H]1CC[C@@H]1NCc1ccc(Br)cc1O 702014337 FENQGUGQBXYQPW-JQWIXIFHSA-N 302.237 3.138 10 10 DGCE COc1cc(C)cc(CNC2CC(Nc3ccccc3)C2)c1O 895476513 KDGPUQMLGLXLRN-UHFFFAOYSA-N 312.413 3.442 10 10 DGCE O=C(Nc1ccc(O[C@H]2CC2(F)F)cc1)c1cccc(O)c1O 1167415851 CCRCZUNCFCPHDO-ZDUSSCGKSA-N 321.279 3.137 10 10 DGCE C[C@@H](NC(=O)c1cc(O)cs1)c1cc(F)ccc1N(C)C 1160046072 RKSTUKYMVUSPKB-SECBINFHSA-N 308.378 3.150 10 10 DGCE O=S(=O)(Nc1ccc(O)cc1Cl)[C@H]1CCCC[C@@H]1F 2118891111 BPBJWFPWXPUJER-JQWIXIFHSA-N 307.774 3.068 10 10 DGCE Cc1cc(=NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc(C)[nH]1 1338319703 KTPKOPVMUFPTCQ-AWEZNQCLSA-N 312.417 3.069 10 10 DGCE C[C@H](O)c1ccc(N(C)CCOC2CC2)cc1Br 1914519681 BNHTUZRKSWIWTM-JTQLQIEISA-N 314.223 3.118 10 10 DGCE Cc1cc(C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)oc1Br 1912143435 GIMNCZCTRVAFEF-MRVPVSSYSA-N 313.155 3.265 10 10 DGCE CC(C)(C)OC(=O)NC[C@H](N)c1cc(Cl)cc(Cl)c1O 1951862549 CDLYHEMSOMHARU-JTQLQIEISA-N 321.204 3.224 10 10 DGCE O=C(c1sccc1-n1cccc1)N1Cc2cccc(O)c2C1 1455037649 RVHRLKUXWYUSDI-UHFFFAOYSA-N 310.378 3.400 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N(C(C)C)C2COC2)cc1 1523326142 YCAVTHJEIPMKCL-UHFFFAOYSA-N 312.413 3.344 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C)c2cnccn2)cc1 1469677075 CPOLULFLZKMBFI-OAHLLOKOSA-N 320.396 3.375 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)NC[C@@]12CCC[C@@H]1C2 1471416551 NVYHLNCQGNRNFT-KUHUBIRLSA-N 314.429 3.260 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)Nc2ncc(Cl)s2)cc1 1617305465 YKSUFRUOVLGAJC-UHFFFAOYSA-N 309.738 3.211 10 10 DGCE COc1ccc(N(CCC(C)C)C[C@H]2CCc3ncnn32)cc1 1559809677 JJZGZSQZWPPDHD-MRXNPFEDSA-N 314.433 3.327 10 10 DGCE CCN(C[C@@H](C)[C@H](N)c1ccccc1O)C(=O)OC(C)(C)C 1928469110 DQOFBSVWUDFNBB-DOMZBBRYSA-N 308.422 3.285 10 10 DGCE COc1cc(C)nc(N[C@@H](C)Cc2ccc(N(C)C)cc2C)n1 1640043530 VPQVVWIPWDNYJO-ZDUSSCGKSA-N 314.433 3.211 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CCCC12CC2 1683237994 BRFRLZQHMBLAPN-QGZVFWFLSA-N 314.429 3.403 10 10 DGCE CC/C(C)=C\C(=O)N(C)C[C@H](C)NCc1ccc(OC)c(C)c1 1774115486 JNEBJICUDHSLGO-DNXIFWLFSA-N 318.461 3.296 10 10 DGCE Cc1ccc(S(C)(=O)=O)cc1NCc1cccc(C)c1O 164960178 FKWJLKXXDULQHO-UHFFFAOYSA-N 305.399 3.025 10 10 DGCE COc1cccc(CNCc2ccccc2OCC2CC2)c1O 152749891 DMPLRNBTBMQEEJ-UHFFFAOYSA-N 313.397 3.479 10 10 DGCE COc1ccc(OC)c(NN=NCc2ccc3c(c2)OCO3)c1 1860494527 KMKIDLJMAYKKQB-UHFFFAOYSA-N 315.329 3.412 10 10 DGCE CCNCc1ccc(N(C)C2CSC2)c(Br)c1 1941413259 GAHNLMSCCJBBBV-UHFFFAOYSA-N 315.280 3.110 10 10 DGCE CC[C@H]1COCCN(Cc2cccc(Br)c2O)C1 1964594687 REYBJXXURPXIPG-LLVKDONJSA-N 314.223 3.013 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@@H]1CC2(CC2)CO1 1965991797 OEWKVTYPHVIXDT-NSHDSACASA-N 302.201 3.358 10 10 DGCE CC(C)(C)OC(=O)N1CCCC[C@@H]2[C@H](Nc3ccc(N)cc3)[C@H]21 1977666436 MIRMRCNYERGCLB-PMPSAXMXSA-N 317.433 3.469 10 10 DGCE CC(C)(O)CN(Cc1ccccc1)c1ccc2c(c1)CC[C@@H]2N 1986602203 CGEVPHGFWDQZGD-IBGZPJMESA-N 310.441 3.410 10 10 DGCE Oc1cc(F)ccc1CNc1csnc1Br 1994513089 KGNUWWPRCUTHAS-UHFFFAOYSA-N 303.156 3.362 10 10 DGCE CN[C@@H](c1cscc1Cl)[C@H](O)c1ccc(N(C)C)cc1 2148340934 VGVHGZMIINKPIL-LSDHHAIUSA-N 310.850 3.462 10 10 DGCE CC1(C)CCO[C@H]1CNCc1cc(Br)ccc1O 2036742722 NZPINEIUQBZPOU-ZDUSSCGKSA-N 314.223 3.059 10 10 DGCE CN(C)c1ccc([C@H](NN)c2cccc(Br)c2)cc1 688561618 MLNFUDYPPKRZLI-HNNXBMFYSA-N 320.234 3.068 10 10 DGCE Cc1c(CN[C@H]2CCCCC23OCCO3)n(C)c2ccccc12 715684133 PNBGTTJXOPMIBJ-SFHVURJKSA-N 314.429 3.262 10 10 DGCE CCCCOCCNCc1cc(Br)cc(F)c1O 715746774 UAWUKWKQJZQSNK-UHFFFAOYSA-N 320.202 3.200 10 10 DGCE Clc1cc(COc2ccc(N3CCNCC3)cc2)cs1 393496435 ZTVRYVBMPXDAFK-UHFFFAOYSA-N 308.834 3.390 10 10 DGCE CO[C@@H]1CC[C@H]1NCc1cc(Cl)cc(Br)c1O 724199312 QOBOORSLSCBZJB-GHMZBOCLSA-N 320.614 3.075 10 10 DGCE Cc1cccc(O)c1CNC[C@H](C)N(C)C(=O)OC(C)(C)C 877504305 JJXNSKGDSOIVLP-ZDUSSCGKSA-N 308.422 3.046 10 10 DGCE COc1ccc(O)c(Cn2nc(C3CC3)c(C(F)F)c2N)c1 2079691196 SBGIQBBKYQXKRR-UHFFFAOYSA-N 309.316 3.043 10 10 DGCE CN(C[C@H]1C[C@H]1C(F)F)c1ccc(CO)c(Br)c1 2041774767 IVDXFLYQVFIXBU-MWLCHTKSSA-N 320.177 3.279 10 10 DGCE CCC[C@H](COC)N(C)Cc1cc(Br)ccc1O 2047299170 SBPHGGJENAGCIA-CYBMUJFWSA-N 316.239 3.402 10 10 DGCE C[C@]1(O)CCC[C@H](NCc2cc(Cl)cc(Cl)c2O)C1 2102074881 PSCGHYRHERJFCU-FZMZJTMJSA-N 304.217 3.482 10 10 DGCE C[C@H](NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCC[C@@H]1O 2111562143 XNKCDTSMAGOIHJ-KDDOJWQBSA-N 304.217 3.338 10 10 DGCE OCCc1ccccc1NCc1ccc(Br)cc1O 2100014723 AIONGQVLVCXYJS-UHFFFAOYSA-N 322.202 3.302 10 10 DGCE CCC[C@H](C)NCc1c(Br)ccc(OC)c1O 2214869106 UVBLYWJQWNKJSE-VIFPVBQESA-N 302.212 3.442 10 10 DGCE COc1cc(CNCc2cnc(SC)s2)cc(OC)c1 2208436235 POEVSIBYEUUSSX-UHFFFAOYSA-N 310.444 3.172 10 10 DGCE CC[C@H](C)NCc1cnc(Sc2ncc3n2CCC3)s1 2239997417 SURZGCHSDJIDMO-JTQLQIEISA-N 308.476 3.325 10 10 DGCE COc1cc(OC)c(N(C)CC[C@@H](N)C(C)C)cc1Cl 2285937103 PXIXUORIPRWPJQ-GFCCVEGCSA-N 300.830 3.167 10 10 DGCE Cc1ccc(N2C(=O)C(=Cc3ccnn3C)SC2=S)cc1 2296958668 QZKPUKWNEHDVTO-UHFFFAOYSA-N 315.423 3.134 10 10 DGCE COC(=O)C1=C(C)N(C(C)C)C(=O)C1=Cc1ccccc1Cl 2313499093 KMLJNNYHAOPBIJ-UHFFFAOYSA-N 319.788 3.421 10 10 DGCE CCCOC(=O)c1ccc(N=NN(C)C2CCN(C)CC2)cc1 2318776038 UKXQGWNUROBJLW-UHFFFAOYSA-N 318.421 3.278 10 10 DGCE Cc1cccc(CN=c2[nH]n(C(C)C)cc2Br)c1O 2341145218 JUGCZTNBTRBAIU-UHFFFAOYSA-N 324.222 3.275 10 10 DGCE COc1ccc(O)c(CNC(=O)/C=C(/C)c2cccc(F)c2)c1 114541295 RPZNEGJKCRJEGZ-WQLSENKSSA-N 315.344 3.260 10 10 DGCE O=C1N(CC2CC2)[C@@H](c2cccc(Cl)c2O)NC12CCCC2 178541188 STTNBUVMOLFBRJ-HNNXBMFYSA-N 320.820 3.199 10 10 DGCE CC(C)(C)C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 181092376 SAFUQQXELYKLIU-FNORWQNLSA-N 303.402 3.396 10 10 DGCE CCN[C@H](C)c1ccc(N2CCN(C3CC3)CC2)cc1Cl 78905576 IIQCCYHAWBAGIR-CYBMUJFWSA-N 307.869 3.295 10 10 DGCE CC[C@H](CSC)N(C)CCCC(=O)Nc1ccc(N)cc1 123753501 GSEKIRSSFDUTLY-OAHLLOKOSA-N 309.479 3.061 10 10 DGCE CC[C@@H](N)CN1CC(CC)(CC)Nc2cc(OC)c(OC)cc21 75280724 YPIAVCKJBGWZEV-CYBMUJFWSA-N 321.465 3.232 10 10 DGCE COc1ccc(N2CCN(C(=O)/C=C/C(C)(C)C)CC2)cc1F 84815494 CAKLTBONDVBPEU-BQYQJAHWSA-N 320.408 3.085 10 10 DGCE Cc1ccn(-c2ccccc2NCc2cc3c(cc2O)OCO3)n1 90201132 NQWAMDOSHCCCLF-UHFFFAOYSA-N 323.352 3.227 10 10 DGCE CCOC(=O)c1ccc(O)c([C@@H](C)NC(=O)OC(C)(C)C)c1 261242533 WLGAFGXTSGTKTQ-SNVBAGLBSA-N 309.362 3.155 10 10 DGCE COc1cccc(CNC[C@H]2CC[C@@H](c3ccccc3)O2)c1O 377797033 WWGUKJLRGQSRFR-SJORKVTESA-N 313.397 3.411 10 10 DGCE CC[C@@H]1SCCS[C@H]1[C@@H](N)c1ccc2c(c1)CCN2C 2163061738 HXJGRPRLJGZJQF-HRCADAONSA-N 308.516 3.306 10 10 DGCE Oc1ccc(CCNCc2ncc(Cl)cc2Cl)cc1O 2163379896 CQIJAJHZNCLMSB-UHFFFAOYSA-N 313.184 3.132 10 10 DGCE CC(=O)C(=O)COC(=O)c1ccc(-c2cccc(C(C)C)c2)o1 808533826 BDOXICOGXFUNEK-UHFFFAOYSA-N 314.337 3.385 10 10 DGCE C[C@@H](NCc1c2c(nn1C)CCCC2)c1ccc(N(C)C)cc1 812737981 UZESJLCUHULBBA-CQSZACIVSA-N 312.461 3.216 10 10 DGCE Cc1ccc([C@@H](CCC(F)(F)F)N2CCOCC2)c(O)c1 575305429 PADMQNCVOHBTFN-CYBMUJFWSA-N 303.324 3.416 10 10 DGCE CO[C@@H]1CC[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C1 822897843 CUPRNLLEUWJSPY-FUHWJXTLSA-N 318.461 3.305 10 10 DGCE Cc1cc(Cl)cc(CNC[C@H](O)Cc2cccc(F)c2)c1O 824500938 BMMZXSUDEWYGOR-MRXNPFEDSA-N 323.795 3.186 10 10 DGCE C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)CC(F)(F)F 823587444 MPMPYQDSFIKMJK-QMMMGPOBSA-N 316.283 3.167 10 10 DGCE Cc1cccc2[nH]cc(CCNC(=O)c3cc(O)cs3)c12 732286935 LRIUIUFRQQRYNB-UHFFFAOYSA-N 300.383 3.216 10 10 DGCE CCN(C/C=C\c1ccc(N(C)C)cc1)C[C@@H](O)C(F)(F)F 835046597 TYQBYRFNKUOOLT-IYKSTZQJSA-N 316.367 3.011 10 10 DGCE O=C(C[C@@H]1CCCc2ccccc21)NCc1ccc(O)cc1O 910954153 IIFUGLMPEKRUQI-AWEZNQCLSA-N 311.381 3.224 10 10 DGCE COc1ccnc(CNC(=S)Nc2c(C)cccc2C)c1F 849297855 YIDYVITVHZIBDM-UHFFFAOYSA-N 319.405 3.333 10 10 DGCE Nc1ccc(CNC(=O)[C@H]2[C@H]3CC[C@@]2(c2ccccc2)C3)cc1 927767823 MFGIAIUVOPOKOB-CVAIRZPRSA-N 306.409 3.253 10 10 DGCE CC(=O)c1cc(F)cc(CN2CC3(CCCC3)OC[C@H]2C)c1O 852637022 AQYADLOZDKPWJU-GFCCVEGCSA-N 321.392 3.267 10 10 DGCE COc1ccc(OC)c(CN(C)c2ccc(OC)c(F)c2)c1 757852325 KCQDXJDBMLFCRK-UHFFFAOYSA-N 305.349 3.488 10 10 DGCE COc1ccc(N2CC[C@H](N[C@@H](C)c3cccc(O)c3)C2)cc1 850488927 POUKXFWLKAFXAW-HOCLYGCPSA-N 312.413 3.330 10 10 DGCE O=C1NC(=S)S/C1=C\c1cc(Cl)c(O)cc1Cl 759034624 JEORNAIOAUBYFF-WAPJZHGLSA-N 306.195 3.188 10 10 DGCE CCC(CC)CCCN(C)Cc1cc2c(cc1O)OC[C@@H]2O 853589910 QWKVDGVNWAYCKQ-KRWDZBQOSA-N 307.434 3.466 10 10 DGCE O=C1CCN(C(=O)c2cc(O)cs2)[C@H](c2ccccc2)C1 868499262 IMIJHTVCWOUHSL-AWEZNQCLSA-N 301.367 3.000 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H](c1ccccn1)C1CCC1 862744828 IBYGHYFBCYBXNO-IBHIWXBSSA-N 324.380 3.164 10 10 DGCE CN(CCO[C@H]1CCOC1)c1ccc(-c2nccs2)cc1 930710070 OFBYMBYQSRZWNY-HNNXBMFYSA-N 304.415 3.052 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccccc2N)[C@@H](F)C1 1959369102 ZPKXXILCAKVRNK-WCQYABFASA-N 309.385 3.028 10 10 DGCE O=C(/C=C/c1cncc(O)c1)N1CC2(CCC2)c2c(F)cccc21 779660208 AYHHMLJMWSJJBS-AATRIKPKSA-N 324.355 3.408 10 10 DGCE COc1ccc(N(CCC(=O)O)Cc2cccc(F)c2)cc1 71721975 UWENPPGBGHNFFC-UHFFFAOYSA-N 303.333 3.316 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@@H]1C[C@H]1C1CC1 1227426671 PIOXXONEOUDEFJ-ZWKOTPCHSA-N 313.445 3.227 10 10 DGCE Cc1ccc(O)c(CNC(=O)C(F)(F)c2ccc(F)cc2)c1 1167293480 FTZBNDMERQOBPZ-UHFFFAOYSA-N 309.287 3.248 10 10 DGCE Cc1ccc(O)c(CNC(=O)Cn2cc(C)c3ccccc32)c1 1167293931 VCPLUKBEWHGRMZ-UHFFFAOYSA-N 308.381 3.280 10 10 DGCE COc1ccc(N2CC[C@H](Nc3ncc4ccccc4n3)C2)cc1 1347920621 WSWXMTTYLBHVLP-HNNXBMFYSA-N 320.396 3.329 10 10 DGCE Cc1cc(N(Cc2ccccc2)[C@@H]2CCOC2)ccc1CCN 1915503724 XIBVTEMXHYEKML-HXUWFJFHSA-N 310.441 3.292 10 10 DGCE O=C(NC[C@H]1CCC[C@@H]1c1ccccc1)c1cccc(O)c1O 1298514749 ZIURPFJMXNWWDH-HUUCEWRRSA-N 311.381 3.412 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N1CC2(CCC2)[C@H]1c1ccccc1 1556830301 AKEWJKYYZVVQKJ-LJQANCHMSA-N 323.392 3.394 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)[C@@H]1Cc2ccc(F)cc21 1627073162 KKUAEHZDPDEOGJ-MRXNPFEDSA-N 322.339 3.036 10 10 DGCE CCOc1ncc(C(=O)N[C@@H](C)c2ccccc2O)cc1Cl 1643741834 BPKCDCGIDGUOTL-JTQLQIEISA-N 320.776 3.330 10 10 DGCE Cc1cnc(C(=O)NCc2ccc3c(c2)CCCN3C)cc1C 1583627762 GPXGEOJIOQAVQH-UHFFFAOYSA-N 309.413 3.011 10 10 DGCE COc1ccc(CN[C@H](C)[C@H](C)NC(=O)CC2CCC2)cc1C 1674647002 MMLJLOIMLYGMNF-CABCVRRESA-N 318.461 3.177 10 10 DGCE CC[C@H]1CN(CCN=[N+]=[N-])[C@H](CC)CN1C(=O)OC(C)(C)C 1962301144 ULHKCSQFYNJDRZ-OLZOCXBDSA-N 311.430 3.407 10 10 DGCE Cc1cccc(O)c1CN[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1963064615 XUXRQNVRBVTIRY-CQSZACIVSA-N 320.433 3.190 10 10 DGCE Oc1c(F)cccc1CNCc1nccn1Cc1ccccc1 1936954052 NFTFCRMDGSNKBE-UHFFFAOYSA-N 311.360 3.066 10 10 DGCE Cc1ccc(O)c(CN[C@H](CNC(=O)OC(C)(C)C)C2CC2)c1 153855241 KBGNGENXJCLGRV-OAHLLOKOSA-N 320.433 3.094 10 10 DGCE CCCCOc1ccc(NC(=O)COc2ccc(N)cc2)cc1 1860078023 HMELWDLPAYLCMP-UHFFFAOYSA-N 314.385 3.465 10 10 DGCE CCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C/c1cccnc1 1865673157 UPHCUFVETUZMSX-LFIBNONCSA-N 307.353 3.286 10 10 DGCE Cc1cccc(C(C)C)c1NC(=O)c1cc(O)c(O)c(O)c1 1865876583 UNZNCGFYAVNGJG-UHFFFAOYSA-N 301.342 3.488 10 10 DGCE Cc1cccc([C@@H](c2ccc(N(C)C)cc2)N2CCNCC2)c1 19931518 SRFIHDXDCYXGQX-HXUWFJFHSA-N 309.457 3.056 10 10 DGCE Nc1ccc(CCN2CCCSC[C@@H]2C(F)(F)F)cc1 2143626608 UWYVPULHYYAIPR-CYBMUJFWSA-N 304.381 3.181 10 10 DGCE C[C@H]1[C@@H](NCc2ccc(F)cc2O)CCN1Cc1ccccc1 1964572254 MJJMTMNYWJZTQQ-KSSFIOAISA-N 314.404 3.284 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H](OCCCc2ccc(N)cc2)C1 1952517967 PJVDQRRSKWIGFP-MRXNPFEDSA-N 320.433 3.227 10 10 DGCE Cc1cc(N2CC(OCc3ccccc3)C2)ccc1C[C@H](C)N 1977135525 ILPBXJYTMKHYKC-INIZCTEOSA-N 310.441 3.290 10 10 DGCE CC(C)(C)OC(=O)N1CC2(CCC[C@@H]2Nc2ccc(N)cc2)C1 1977665511 ZTHKQULDYXLPOG-HNNXBMFYSA-N 317.433 3.470 10 10 DGCE CCOC1CC(CNCc2c(O)cccc2Br)C1 2029082403 FTIAAIXXVOVURP-UHFFFAOYSA-N 314.223 3.059 10 10 DGCE Cc1nsc(Sc2ncc(CNC(C)(C)C)s2)n1 2037791466 XEHBSWRCEHYTJN-UHFFFAOYSA-N 300.478 3.342 10 10 DGCE CCN(CC)c1ccc(CNC2CCC3(CC2)OCCO3)cc1 69709655 ITHLDLBPAROMJK-UHFFFAOYSA-N 318.461 3.308 10 10 DGCE NCc1ccc(N2CCC=C(Cl)C2)cc1Br 404430658 QDSDJUJMUIGAOK-UHFFFAOYSA-N 301.615 3.241 10 10 DGCE CCCNCc1ccc(N2CCO[C@H](CF)C2)cc1Cl 2172051144 RHZJFSQSLKOALF-CQSZACIVSA-N 300.805 3.014 10 10 DGCE CC[C@@]12C[C@H]1CN(c1ccc(CN)c(Br)c1F)C2 2048605293 KRPFTAXFMVEAJK-HZMBPMFUSA-N 313.214 3.283 10 10 DGCE CN[C@@H]1CCc2cc(N3CCC(=CBr)C3)ccc21 2065065188 IMPJCCRZVRQZKH-OAHLLOKOSA-N 307.235 3.382 10 10 DGCE CN[C@@H](C)c1cc(F)c(N2CC[C@H](CSC)C2)c(F)c1 2194695004 QEPLEKGXXQRCEU-QWRGUYRKSA-N 300.418 3.435 10 10 DGCE CC[C@H](C)NCc1ccc(N2CC(F)C2)c(Br)c1 2223538312 ZNVNYKDYGPZYBO-JTQLQIEISA-N 315.230 3.495 10 10 DGCE NCc1ccc(N2C[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2)cc1Br 2264894223 HIOGGNPVNQIHQI-JLUCKKNBSA-N 321.262 3.390 10 10 DGCE CCC[C@H](C(=O)O)N1C(=O)C(=Cc2ccccc2)SC1=S 2294874474 GDAXGXHCMXFGGY-LLVKDONJSA-N 321.423 3.141 10 10 DGCE CO[C@@H]1C[C@@H](CF)N([C@H](C)c2cc(Cl)c(C)cc2O)C1 2286445311 SFFMEDGUNONJKU-GRYCIOLGSA-N 301.789 3.474 10 10 DGCE C[C@H](c1cc(Cl)ccc1O)N1CCO[C@@H](P(C)(C)=O)C1 2289221855 KMKISXUJBCZNML-YGRLFVJLSA-N 317.753 3.388 10 10 DGCE Nc1ccc(CC[C@H](O)c2cncc(Br)c2)cc1 2321236881 IFKMZHKDAOUEIU-AWEZNQCLSA-N 307.191 3.093 10 10 DGCE Cc1ccnnc1NCc1ccc(C)c(Br)c1O 2327597071 RQCGQPIJJHOVPZ-UHFFFAOYSA-N 308.179 3.174 10 10 DGCE COc1ccc(N2[C@H]3CC[C@H]2CC(=O)C3)cc1Br 115125137 BKSBSIWHKDLCOC-UWVGGRQHSA-N 310.191 3.158 10 10 DGCE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1c1cccc(N)c1O 1953065974 FMCYDOSAFMEWOT-LLVKDONJSA-N 314.332 3.292 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@@H](C)CN2CCCCCC2)c1 186738340 WVUVTCXVVHPOTR-GJZGRUSLSA-N 306.450 3.316 10 10 DGCE Cc1nocc1/C=C1\CCn2c1nc1sc(C)c(C)c1c2=O 515294457 LRNIGEHFYUOKHD-IZZDOVSWSA-N 313.382 3.316 10 10 DGCE Cc1ccc(Br)cc1N1C(=O)CSC1=S 48547247 BKUXOOQVNAMEOH-UHFFFAOYSA-N 302.218 3.122 10 10 DGCE CSc1ncc(CN[C@]2(C(=O)O)CCC[C@H](C)[C@H]2C)s1 2371711648 DHTYIEJBIWHRDJ-IMSIIYSGSA-N 314.476 3.234 10 10 DGCE CNCc1ccc(N2CCS[C@@H](C)C2)cc1Br 234371303 JDNWDYCLBNAACH-JTQLQIEISA-N 315.280 3.110 10 10 DGCE C[C@H](Cn1cncn1)N[C@H](C)c1ccc(N2CCCCC2)cc1 269068952 ZRHJKMYDBOGDDV-HZPDHXFCSA-N 313.449 3.008 10 10 DGCE COc1cc(Cl)cc(CNC[C@@H]2C[C@@H]2C(C)(F)F)c1O 2164440165 BLLZLHHASSRRCK-KWQFWETISA-N 305.752 3.435 10 10 DGCE C[C@H]1CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@H]1C 816647870 ZHCALMXNIDPVJY-KBPBESRZSA-N 303.406 3.425 10 10 DGCE C[C@@H](Nc1nc(N)nc2c1CCCC2)c1ccc(N(C)C)cc1 825953072 VUWOSADEQTWKJN-GFCCVEGCSA-N 311.433 3.177 10 10 DGCE CC(C)=CC[C@H](NC/C=C/c1ccc(N(C)C)cc1)C(=O)O 904033081 QGNWCOXGTZNSQU-RTRPANQVSA-N 302.418 3.165 10 10 DGCE Cn1ccc([C@H]2CCCN(Cc3c(O)ccc4ccncc34)C2)n1 905716263 QTAWUOAGAXHTGL-HNNXBMFYSA-N 322.412 3.054 10 10 DGCE Cc1ccc(CN[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c(O)c1 1897934804 JXLJWGUFNKXYLD-HIFRSBDPSA-N 320.433 3.046 10 10 DGCE CN1C[C@@H](CNCc2ccc(N(C)C)cc2)[C@H](c2ccccc2)C1 842765482 WRAAZWZCPGOMBY-CTNGQTDRSA-N 323.484 3.188 10 10 DGCE CC[C@@H](N[C@@H]1CCN(C2CCC2)C1=O)c1cc(Cl)ccc1O 858603955 YIJHLQWZRRHHEY-HUUCEWRRSA-N 322.836 3.240 10 10 DGCE Nc1ccc(NC(=O)N2CCC[C@@H](Cc3nccs3)C2)cc1 926143331 OFEIWHLCBMMOKY-LBPRGKRZSA-N 316.430 3.212 10 10 DGCE Cc1cc(C[C@H](C)N[C@H]2C[C@H](C)c3c(F)ccc(O)c32)n[nH]1 756764331 GGSHYFICUVYOAF-BHDSKKPTSA-N 303.381 3.332 10 10 DGCE CC[S@@](=O)CCN[C@@H](C)c1ccc(Cl)c(Cl)c1O 756576157 LFXBDDZPKPAUMX-DCXZOGHSSA-N 310.246 3.118 10 10 DGCE CCOc1ccc(CN2CCCC[C@H](CCOC)C2)c(O)c1 768542791 ZHEOYOJFZVRYCX-OAHLLOKOSA-N 307.434 3.430 10 10 DGCE CCOC(=O)/C=C\CN(Cc1ccc(N(C)C)cc1)C(C)C 1307424446 QUQZGTUTZKLOBU-FPLPWBNLSA-N 304.434 3.082 10 10 DGCE CCc1ccnc(CNCc2cc(Br)ccc2O)c1 1912370784 UKIFMUQCUKHUGT-UHFFFAOYSA-N 321.218 3.402 10 10 DGCE C[C@@H](C(=O)NCc1ccc(O)cc1O)c1cccc(Cl)c1 1451768320 NDIDVTNJXVTLGI-SNVBAGLBSA-N 305.761 3.171 10 10 DGCE CCN(CC)c1ccc(CNC(=O)c2cncc3[nH]ccc23)cc1 1525931387 GLNSYLGABNYNRS-UHFFFAOYSA-N 322.412 3.339 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)[C@@H]2C[C@@]2(C)C(C)C)cc1 1531374424 CCCWVSDRUQWYMB-HKUYNNGSSA-N 318.461 3.272 10 10 DGCE CC[C@H](C)[C@H](C)C(=O)N(C)CCN(C)c1ccc(OC)cc1 1461336853 IULAGHYVSXKDHP-GJZGRUSLSA-N 306.450 3.272 10 10 DGCE Cc1ncc(/C=C\C(=O)N2CCOc3c(F)ccc(F)c32)s1 1531417585 YQJXZXPKYXMZQO-DJWKRKHSSA-N 322.336 3.169 10 10 DGCE CCCCN(C)c1ccc(CNC[C@H]2CCCO2)cc1OC 212693587 SWGBHJSPNFAEQZ-MRXNPFEDSA-N 306.450 3.200 10 10 DGCE COc1cccc(NC(=O)OC(C)(C)C)c1[C@@H](CO)N=[N+]=[N-] 1951356338 PNXIGVYSLZBUSR-SNVBAGLBSA-N 308.338 3.386 10 10 DGCE CCC1(C(=O)N[C@@H](C)CCNCc2ccc(OC)c(C)c2)CC1 1715679689 WDSDGFPVWDGVLC-HNNXBMFYSA-N 318.461 3.178 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)N=c2cc[nH]cc2)c1 1628912814 SZNHYFPIODIJSC-UHFFFAOYSA-N 305.381 3.472 10 10 DGCE CC(C)[C@H](c1ccccc1)N(C)C(=O)Cc1ccc(O)c(O)c1 1633355549 HWFFUYIORPWBGL-LJQANCHMSA-N 313.397 3.496 10 10 DGCE Cc1ccc(CCCCC(=O)NCc2c(O)cccc2O)cc1 1635843393 PUKVPFGPDCKASL-UHFFFAOYSA-N 313.397 3.435 10 10 DGCE Cc1cc(CCCC(=O)NCc2cc(O)ccc2O)c(C)s1 1643881814 GNUZQIJTUKFECQ-UHFFFAOYSA-N 319.426 3.415 10 10 DGCE C[C@@H](NC(=O)c1ccccc1OC(F)F)c1ccccc1O 1648889656 GRQGEYNLGYBPJL-SNVBAGLBSA-N 307.296 3.485 10 10 DGCE CC(=O)c1cc(F)cc(CN[C@@H](C)c2ncccc2C)c1O 1648602154 XTQBAHNFOCGASM-NSHDSACASA-N 302.349 3.288 10 10 DGCE COCCNCc1ccc(N(C)[C@@H](C)CCSC)cc1C 161689553 ZSETUPCUFHSRSH-HNNXBMFYSA-N 310.507 3.309 10 10 DGCE CNCc1ccc(N(C)[C@@H]2CCO[C@H]2C)cc1C(F)(F)F 160099525 WYBYTBSSEFVMOW-IINYFYTJSA-N 302.340 3.038 10 10 DGCE CN(C)C(=O)N(CCc1c[nH]c2ccccc12)c1ccc(N)cc1 1857992449 SMOBVNXBVFICDN-UHFFFAOYSA-N 322.412 3.481 10 10 DGCE CC(C)[C@@H]1C[C@@H]1NCc1cc(Br)cc(F)c1O 1941441424 KOHIIEZMFJEWKK-JQWIXIFHSA-N 302.187 3.428 10 10 DGCE COc1cccc(CN[C@H]2CC[C@H]2OCc2ccccc2)c1O 1939573128 CBWLYMGAYHFLIU-DLBZAZTESA-N 313.397 3.238 10 10 DGCE C[C@@H]1CC[C@@H](CN)N(Cc2cc(Cl)cc(Cl)c2O)C1 1205804633 NZPLBTOGHMRPNN-SKDRFNHKSA-N 303.233 3.258 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCC[C@@H]1[C@H]1CCCN1 250757592 ROYXPODUVTXNRP-ZIAGYGMSSA-N 315.244 3.415 10 10 DGCE CN[C@H](C[C@H](C)NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1977946120 SYIPQZNFQIDDGQ-XJKSGUPXSA-N 321.465 3.316 10 10 DGCE CN(C[C@H](O)c1ccc(N2CCCC2)cc1)C(=O)OC(C)(C)C 1977932936 AJUQOWKYLNTFNC-INIZCTEOSA-N 320.433 3.187 10 10 DGCE C[C@@H]1C[C@]1(F)CNCc1cc(Br)cc(F)c1O 2025707470 PWOQATJCCQFLEX-KRTXAFLBSA-N 306.150 3.132 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN1Cc1csc(Br)n1 1984489900 MDYLZTHZRJRVNP-MRVPVSSYSA-N 302.201 3.180 10 10 DGCE Nc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 36961574 OCYJPKPMDDETQI-UHFFFAOYSA-N 317.197 3.376 10 10 DGCE Cc1ccc(CN[C@@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)c(O)c1 1994456431 LRMUUKPVUWFIHL-UKRRQHHQSA-N 320.433 3.188 10 10 DGCE Nc1ccc(O)c(CN2Cc3ccc(Br)cc3C2)c1 708015989 HAAUHJZRTQABEY-UHFFFAOYSA-N 319.202 3.253 10 10 DGCE C[C@H](c1cc(Cl)ccc1O)N1CCO[C@H](C(F)F)CC1 687289883 ZQBAAXYQLMKONB-RNCFNFMXSA-N 305.752 3.463 10 10 DGCE CNCc1cc(CC(C)C)nn1Cc1ccc(Cl)cc1O 2070071337 YCCLPWZFQHLQND-UHFFFAOYSA-N 307.825 3.208 10 10 DGCE CC(C)c1cc(CN(C)C)n(Cc2cccc(Cl)c2O)n1 2070135609 VSDGKYGCHPZHMV-UHFFFAOYSA-N 307.825 3.475 10 10 DGCE Oc1c(F)cccc1Cn1ncc(Br)c1C(F)F 2079082029 NDVOAKHJBDAWOV-UHFFFAOYSA-N 321.096 3.476 10 10 DGCE NCc1ccc(N2CCO[C@@H](c3cccs3)C2)cc1Cl 2171855983 VYGRRHOHMDOQCF-CQSZACIVSA-N 308.834 3.438 10 10 DGCE CN(Cc1cccc(Cl)c1O)CC(F)(F)[C@@H]1CCOC1 2185333586 DDSIYFPKGPKJSJ-LLVKDONJSA-N 305.752 3.149 10 10 DGCE C[C@@H]1CC[C@H](CNCc2cc(Br)ccc2O)OC1 2053747337 HTFSPDNCKWNIQP-ZWNOBZJWSA-N 314.223 3.059 10 10 DGCE COC[C@]1(C)CCN1c1ccc([C@H](C)O)cc1Br 2055907908 ADXREZAIEJCIOP-HZMBPMFUSA-N 314.223 3.118 10 10 DGCE CN(c1ccc(CO)cc1Br)[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2 2070848166 JNCWCQKWPOMOSL-IUPFNGILSA-N 308.219 3.032 10 10 DGCE Brc1cc(CNC2CC2)ccc1N1C[C@H]2C=C[C@H]1C2 2089870739 SRUPRQLVJLELIP-JSGCOSHPSA-N 319.246 3.466 10 10 DGCE CN[C@H](c1ccccc1O)c1ccc(Br)cc1OC 2090039905 LBQWHHYRKSOSNQ-OAHLLOKOSA-N 322.202 3.472 10 10 DGCE CC[C@]1(C)C[C@@H]1NCc1c(Br)ccc(OC)c1O 2220463194 XTOYIQVMLVIPBI-GXTWGEPZSA-N 314.223 3.442 10 10 DGCE C[C@@H](N)c1ccc(N(C)CC[C@H]2CCO2)c(Br)c1 2263968346 HWUXBWGIJYVXEI-PWSUYJOCSA-N 313.239 3.084 10 10 DGCE CSc1ncc(CNCc2ccc3[nH]c(=N)sc3c2)s1 2284711880 LBHVWYYLQNRCIB-UHFFFAOYSA-N 322.484 3.177 10 10 DGCE Cc1ccc(CN(C)[C@H](C)C(C)(C)O)c(O)c1Br 2327797619 ZLDXUGPJBLDSSQ-SNVBAGLBSA-N 316.239 3.054 10 10 DGCE Cc1ccc(C)c(SC[C@H](O)COc2ccc(N)cc2)c1 51328381 JQCJZRWGNVPRER-OAHLLOKOSA-N 303.427 3.418 10 10 DGCE CC(C)(C)c1ncc(/C=C/C(=O)N2CCc3cnccc32)s1 173572251 GJDCFUFCWFKPSJ-SNAWJCMRSA-N 313.426 3.438 10 10 DGCE CN(C)c1ccc(CNC(=O)[C@H]2C[C@H]2C2CCCC2)cc1F 1434913429 AIYOPOLTWQIVGV-GJZGRUSLSA-N 304.409 3.334 10 10 DGCE Cc1ccc([C@H](C)N[C@@H]2CCc3nnc(C(C)C)n3C2)c(O)c1 186293842 KQYRFGMAHBVWCZ-UONOGXRCSA-N 314.433 3.081 10 10 DGCE COCCN(CCOC)N=Nc1ccc(Br)cc1 2330209922 PSZZQVIVKBLYFF-UHFFFAOYSA-N 316.199 3.043 10 10 DGCE OCc1ccccc1NCc1cccc(Br)c1O 42412318 TXHDKNYZHHLDHF-UHFFFAOYSA-N 308.175 3.259 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CC[C@H](O)CC1 245548593 NZJYEIGZUUXRFT-HDJSIYSDSA-N 318.442 3.189 10 10 DGCE Cc1cncc(/C=C\C(=O)N2CCN(C)c3ccc(F)cc32)c1 255122176 HRECHVNSCKSDQE-UTCJRWHESA-N 311.360 3.025 10 10 DGCE COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CC[C@H]3C)ccc21 356755920 MYPTZWKHWJOJLB-PXAZEXFGSA-N 314.429 3.433 10 10 DGCE CCOC(=O)[C@@H]1CC[C@H](N[C@H](C)c2ccc(C)c(C)c2O)C1 280981992 JDMBBJGAIISXMO-KFWWJZLASA-N 305.418 3.391 10 10 DGCE COc1c([N+](=O)[O-])ccc(CN2CC3(CCC3)C[C@H]2C)c1O 375717225 FUFHILQTRQHDBI-LLVKDONJSA-N 306.362 3.074 10 10 DGCE CC(=O)CCC(=O)NCCc1cc(C)n(-c2ccccc2)c1C 800397371 QXLATMXRKRKUJG-UHFFFAOYSA-N 312.413 3.122 10 10 DGCE OCc1ccc(N2CC[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc1 717406685 NTDUDNRLWYEDFJ-LEWJYISDSA-N 322.452 3.422 10 10 DGCE C[C@H](CC(=O)NCc1ccc2c(c1)CCCN2C)n1cccc1 729262519 ULMFWWSPQPNHQQ-OAHLLOKOSA-N 311.429 3.138 10 10 DGCE C[C@@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)[C@@H]2CCCC[C@@H]12 588423059 LQUBEQVKKWFFSM-LRKKUOOWSA-N 301.386 3.148 10 10 DGCE CC(C)(C)c1cc(O)c(O)c(CN2CCO[C@H](C3CCC3)C2)c1 840177114 VCCOGCZQASZCNW-KRWDZBQOSA-N 319.445 3.396 10 10 DGCE CCOc1ccc(O)c(CN2CCC[C@H](C3CCNCC3)C2)c1 849349772 HAGVVTOPMDNZKX-INIZCTEOSA-N 318.461 3.003 10 10 DGCE Nc1ccc(Cc2noc(-c3ccc4c(c3O)CCCC4)n2)cc1 843159001 KJEAOVSERHUGEE-UHFFFAOYSA-N 321.380 3.494 10 10 DGCE Cc1cccc(C)c1C(=O)Nc1cccc(N2CCOCC2)c1 744364149 NNUXJXJUCICXRV-UHFFFAOYSA-N 310.397 3.392 10 10 DGCE CCOc1ccc(CN[C@@H](c2ccccc2F)[C@H](C)O)c(O)c1 846016911 KLAPLTPHOSVILZ-KPZWWZAWSA-N 319.376 3.142 10 10 DGCE COc1cc(Br)cc([C@H](C)N[C@@H]2CC23CC3)c1O 848553931 RNBQOBXQODYQCL-QPUJVOFHSA-N 312.207 3.366 10 10 DGCE Cc1ccc(C(=O)N(C)C[C@H]2CCc3ccccc32)c(O)c1O 856306358 YUNZXQCTPGELBK-CQSZACIVSA-N 311.381 3.208 10 10 DGCE CC(C)[C@@H]1COCC[C@@H]1NCCCSc1nccs1 925101492 IGJYQFABIXKLKF-STQMWFEESA-N 300.493 3.276 10 10 DGCE COc1cncc(CN(c2ccc(OC)c(F)c2)C(C)C)n1 859184995 JBCYXKQHRWHYBA-UHFFFAOYSA-N 305.353 3.048 10 10 DGCE COc1ccc2c(c1)N(C(=O)/C=C\c1ccc(C)nc1)CCC2 856076281 AHPJJRXZFWDQEX-YFHOEESVSA-N 308.381 3.391 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CCCC3(C)C)C2)cc1 855223611 BKVXYFIYBNXOAA-PBHICJAKSA-N 316.445 3.216 10 10 DGCE COc1cc(Br)cc(CNC2CC(C)(C)C2)c1O 850415929 YWOMTYHLEGLGEK-UHFFFAOYSA-N 314.223 3.442 10 10 DGCE COc1cc(C)c(NCc2cc3c(cc2O)OCO3)cc1C 767737809 LQOSKXUGEXAGNH-UHFFFAOYSA-N 301.342 3.358 10 10 DGCE COc1ccc(O)c(CN[C@H](c2cnn(C)c2)C(C)(C)C)c1 776231984 RZYFVVKACJSHQG-MRXNPFEDSA-N 303.406 3.011 10 10 DGCE CN(C)c1ccc(CN(c2ccccn2)[C@H]2CC[C@H](N)CC2)cc1 895111397 OPDKHQFKPQQNME-UAPYVXQJSA-N 324.472 3.424 10 10 DGCE CO[C@@]1(C(F)(F)F)CCN(Cc2cc(Cl)ccc2O)C1 895577291 IFMBMDHBZGMMRB-LBPRGKRZSA-N 309.715 3.199 10 10 DGCE COc1ccc(CNC(=O)NCC[C@@H]2CCC[C@@H](C)C2)c(O)c1 792944715 DNFYCULPTLBORV-KGLIPLIRSA-N 320.433 3.416 10 10 DGCE Cc1cc(C)c(O)c(CN2CCN(c3cnccc3C)CC2)c1 799155624 XWXOHOXGNSPVDU-UHFFFAOYSA-N 311.429 3.035 10 10 DGCE CC(C)Nc1ccccc1NC(=O)Cc1ccc(O)c(O)c1 1147706459 ABLMDDWOEMUYAW-UHFFFAOYSA-N 300.358 3.099 10 10 DGCE Oc1ccccc1CNc1ncnc2c1ncn2-c1ccccc1 1162314454 VXIWVZXFJZWPGV-UHFFFAOYSA-N 317.352 3.133 10 10 DGCE CN1CCCc2cc(CNC(=O)[C@H]3CCC[C@@H](F)C3)ccc21 1325880212 STLSUWCTJUTRNJ-JKSUJKDBSA-N 304.409 3.214 10 10 DGCE CCCCCC(=O)N1CC[C@H](NCc2ccc(OC)c(C)c2)C1 1265419917 RBDRWGRYFXFQHR-KRWDZBQOSA-N 318.461 3.274 10 10 DGCE Cc1cccc(-n2c(C)cc(CNC(=O)N3CCCO3)c2C)c1 1637577286 AAUJHJRGFYNRAI-UHFFFAOYSA-N 313.401 3.249 10 10 DGCE CN[C@@H](c1ccccc1O)[C@@H](NC(=O)OC(C)(C)C)C(C)C 1928477000 OXNJXDMWCJZTEH-GJZGRUSLSA-N 308.422 3.202 10 10 DGCE C[C@@H](CCCNC(=O)OC(C)(C)C)[C@@H](N)c1ccccc1O 1928466774 FUZZOFXSPHJYOQ-SWLSCSKDSA-N 308.422 3.333 10 10 DGCE CCC(C)(CC)C(=O)N(C)CCNCc1ccc(OC)c(C)c1 1731984102 KXFQQLCYTCIOMM-UHFFFAOYSA-N 320.477 3.378 10 10 DGCE Cc1cnccc1/C=C/C(=O)NCc1cccc(Cl)c1O 1640405267 OSLMNWALJCDTHG-AATRIKPKSA-N 302.761 3.079 10 10 DGCE Cc1ccc(OCC(=O)NCc2cccc(Cl)c2O)cc1 1647826871 NFMYURQKNXUDQI-UHFFFAOYSA-N 305.761 3.049 10 10 DGCE COc1ccc(CNC[C@H](C)NC(=O)[C@H](C)C2CCC2)cc1C 1699409353 WOIKFANBSHXFRF-LSDHHAIUSA-N 318.461 3.034 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[C@@H](N)c1ccccc1O 1936987042 OIWQXNRAIXYEFV-HEHGZKQESA-N 320.433 3.333 10 10 DGCE C[C@@H]1CN(c2ccc(CNC(C)(C)C)cc2Cl)CC[C@@H]1O 166510114 MYIKJJBGKDRSFD-WBMJQRKESA-N 310.869 3.435 10 10 DGCE CCNCc1ccc(N(C)[C@H](C)COC)cc1C(F)(F)F 167370210 ODKMMYVGBXHZOU-LLVKDONJSA-N 304.356 3.286 10 10 DGCE CC(C)c1ccccc1/N=N/N1CCN(c2ncccn2)CC1 1860485148 TUKSTVVCQHXKTO-QZQOTICOSA-N 310.405 3.421 10 10 DGCE Cc1cccc(CNCCc2cnn(Cc3ccccc3)c2)c1O 1942444810 RSLFJZMSQDFEJI-UHFFFAOYSA-N 321.424 3.278 10 10 DGCE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@@H](N)c2ccccc2O)C1 1938981785 TXQPDOHKMXULDN-XPKDYRNWSA-N 320.433 3.428 10 10 DGCE Oc1ccc(Br)cc1CN[C@H](C(F)F)C1CC1 1942707733 RSZILGSURPICED-NSHDSACASA-N 306.150 3.288 10 10 DGCE c1cc(N2CCCC2)ccc1CN1CC[C@@]2(CCCOC2)C1 1118559743 QWZPYDWBMNSGGW-IBGZPJMESA-N 300.446 3.289 10 10 DGCE C[C@@H]1CC[C@@H](C(=O)O)N(Cc2cc(Cl)cc(Cl)c2O)C1 1964726626 NROWTQHXZQTVDM-PELKAZGASA-N 318.200 3.384 10 10 DGCE COc1ccc(Br)c(CNC[C@@H]2C=CCC2)c1O 1967703702 VMWBQWPIYJUQOP-SNVBAGLBSA-N 312.207 3.219 10 10 DGCE Nc1ccc(CN[C@H]2CCCCN(Cc3ccccc3)C2)cc1 1976026797 SDKRLLPVTZXSCQ-FQEVSTJZSA-N 309.457 3.413 10 10 DGCE Oc1cccc(Cl)c1CNCC1CCC2(CC1)OCCO2 2030318114 AHNVQTAKGXTMHK-UHFFFAOYSA-N 311.809 3.069 10 10 DGCE C[C@@H](c1cc(Br)ccc1O)N1CCOC(F)(F)C1 2034870711 CDRVOEGZTONZSV-QMMMGPOBSA-N 322.149 3.141 10 10 DGCE NCc1cc(F)c(N2CCCC[C@H](F)C2)cc1Br 2034861471 ZMZZZDDPALAMGW-JTQLQIEISA-N 319.193 3.375 10 10 DGCE C[C@@H]1CCO[C@H]1CN(C)Cc1ccc(Br)cc1O 2034985726 QMVQFAXFVQYYSN-YGRLFVJLSA-N 314.223 3.012 10 10 DGCE C[C@@H]1CCN(c2ccc(CN)cc2Br)CCS1 379525004 RPVHLWZNDYFZGP-SNVBAGLBSA-N 315.280 3.240 10 10 DGCE O=Cc1cc(C2CC2)nn1Cc1c(O)cccc1Br 2069998450 DFIPPHJMZWRNHZ-UHFFFAOYSA-N 321.174 3.089 10 10 DGCE CC(C)c1cc(C(=O)N(C)C)n(Cc2c(O)cccc2Cl)n1 2070094404 HYQZFXCRMKHABV-UHFFFAOYSA-N 321.808 3.116 10 10 DGCE COC(=O)c1cnn([C@@H](C)c2cc(C)c(C)cc2O)c1Cl 2070366378 XEQPQCFDCAOWPN-JTQLQIEISA-N 308.765 3.255 10 10 DGCE COC1(CN(C)c2ccc([C@@H](C)O)cc2Br)CC1 2048925055 LGDJOWUNSFDTOA-SNVBAGLBSA-N 314.223 3.118 10 10 DGCE Cc1ccc(CNCc2ccncc2Br)c(O)c1 2084075699 QQKHSGLEZSZKDY-UHFFFAOYSA-N 307.191 3.148 10 10 DGCE CC[C@@H](O)CN(Cc1ccccc1)c1ccc(OC)cc1C=O 2211290902 AEQZBCZINDAKGE-QGZVFWFLSA-N 313.397 3.285 10 10 DGCE Nc1ccc(NC[C@H]2CC2(Br)Br)cc1 2209433807 MVYZPSUHVWROGI-SSDOTTSWSA-N 320.028 3.187 10 10 DGCE C[C@@H](N)c1ccc(N2CC[C@@H]3C[C@]3(F)C2)cc1Br 2222718859 RYFGMYMIVVCINX-RULNRJAQSA-N 313.214 3.407 10 10 DGCE Cc1ccc(Br)c([C@H](O)[C@@H](N)c2ccccc2O)c1 2228071520 CHHDPYDVLNQDME-GJZGRUSLSA-N 322.202 3.197 10 10 DGCE C[C@@H](O)c1ccc(N(C)C[C@@H](F)[C@@H]2CCOC2)c(Cl)c1 2238344593 XZLHEGJQOHZXKL-MPKXVKKWSA-N 301.789 3.204 10 10 DGCE CC(C)NCc1ccc(N(C)Cc2nncs2)c(Cl)c1 2281366227 WZIZNQNZZCRZEF-UHFFFAOYSA-N 310.854 3.326 10 10 DGCE CC(F)(F)c1ncc(C(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])s1 2289297020 PBYNAJAZENJHCI-NKWVEPMBSA-N 301.322 3.216 10 10 DGCE C[C@H](c1ccco1)N(C(=O)C=Cc1ccc(O)c(O)c1)C1CC1 2307986604 LEINHWGRHSUBDQ-GFCCVEGCSA-N 313.353 3.456 10 10 DGCE Oc1ccc(Br)cc1CN1CC[C@](F)(C(F)F)C1 2315877633 JVSXGTUJBMZQFI-GFCCVEGCSA-N 324.140 3.334 10 10 DGCE CC(=O)Nc1cccc(N=NN2CCN(c3ccccc3)CC2)c1 2330216838 PSOUXJFYGCIRED-UHFFFAOYSA-N 323.400 3.466 10 10 DGCE CCC1=NN(Cc2cccc(F)c2)C(=O)C1=Cc1ccncc1 2332129531 MASJBVBHWYJSGV-UHFFFAOYSA-N 309.344 3.413 10 10 DGCE CCC1=NN(c2ccccn2)C(=O)C1=Cc1cccc(OC)c1 2332141633 LSQCRHHKLNEXHQ-UHFFFAOYSA-N 307.353 3.286 10 10 DGCE Cc1ccc(CN[C@H](C)c2cn[nH]c2)c(O)c1Br 2327798517 IVMMSABGLJJRNA-SECBINFHSA-N 310.195 3.037 10 10 DGCE OC[C@]12CC[C@H](C[C@@H]1NCc1cc(Cl)cc(Cl)c1O)C2 2354531486 XUBBTNHDARDLAX-ZDBHGNHJSA-N 316.228 3.340 10 10 DGCE CN[C@H](C)c1ccc(N2CCCN3CCC[C@@H]3C2)c(Cl)c1 62941070 INFVBSNYNZQJOX-UKRRQHHQSA-N 307.869 3.295 10 10 DGCE COC[C@@H](CCCc1ccc(N)cc1)N(C)C(=O)OC(C)(C)C 1952755976 XSJDHMOFWWSIKC-MRXNPFEDSA-N 322.449 3.473 10 10 DGCE C[C@H](N)c1ccc(N(C)C[C@@H]2CCCO2)c(Br)c1 61696721 HIYZGCOLWWBGLB-JQWIXIFHSA-N 313.239 3.084 10 10 DGCE Nc1ccc(CCC(=O)[C@H]2CCO[C@]3(CCSC3)C2)cc1 124651926 XYEQWPVNHGRIIH-WMLDXEAASA-N 305.443 3.073 10 10 DGCE CC(=O)Nc1ccc(NCc2ccc(O)c(O)c2)cc1Cl 36983128 XIPCUFATDZGXFI-UHFFFAOYSA-N 306.749 3.322 10 10 DGCE O=C(C[C@H]1CCCCO1)N1CCc2cc(N3CCCC3)ccc21 62526175 NXWHLXMWNBXRFX-QGZVFWFLSA-N 314.429 3.135 10 10 DGCE Cc1cccc(S(=O)(=O)N(C)[C@H](C)c2ccccc2O)c1 38089845 MJYPIVNKBQTHNU-CYBMUJFWSA-N 305.399 3.082 10 10 DGCE COc1ccc(O)c(CN(C)[C@H](C)Cc2ccc(O)cc2)c1 180192710 JFVDWNVAETVTAZ-CYBMUJFWSA-N 301.386 3.169 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1[C@H]2CC[C@H]1CC(O)C2 126687438 ODKDYJBVFGSSDA-QWRGUYRKSA-N 302.201 3.187 10 10 DGCE CCOC(=O)C1CCN(Cc2cc(Cl)cc(C)c2O)CC1 183463908 VQQBMHGGLCFKMP-UHFFFAOYSA-N 311.809 3.129 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1[C@H]2CC[C@@H]1CC(O)C2 126687230 ODKDYJBVFGSSDA-FOSCPWQOSA-N 302.201 3.187 10 10 DGCE CN(C)c1ccc(CNCc2ncc(-c3ccccc3)cn2)cc1 185876084 FLUSGJCZBUBVTP-UHFFFAOYSA-N 318.424 3.499 10 10 DGCE Cc1cc(/C=C/C(=O)N2CCC[C@H](O)C2)c(C)n1-c1ccccc1 73493391 HFEWPNAZVQQFBN-VYENPZKTSA-N 324.424 3.091 10 10 DGCE Oc1cc2c(cc1CN1CCC3(C1)Oc1ccccc1O3)CCC2 808239414 VXTZSXJDFIZJBJ-UHFFFAOYSA-N 323.392 3.254 10 10 DGCE COc1cc(O)c(CN2CCCC[C@H]2C(F)F)cc1OC 800533038 DZTYEGIVPKMGAA-NSHDSACASA-N 301.333 3.029 10 10 DGCE CC[C@@H]1SCCS[C@H]1[C@@H](O)c1ccc2c(c1)CCN2C 2163063004 OQKJUIFPDBCFAU-HRCADAONSA-N 309.500 3.340 10 10 DGCE C[C@H](N[C@@H]1CC12CC2)c1ccc(N2CCOCC2)cc1Cl 818356003 HRFABOQRSHFYGV-BLLLJJGKSA-N 306.837 3.380 10 10 DGCE O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@H]1CC12CC2 817438419 GHZIJYHTRXVVBG-GFCCVEGCSA-N 304.353 3.135 10 10 DGCE Cc1ocnc1C(=O)NCCc1cc(C)n(-c2ccccc2)c1C 726525011 KSIPUNQBAAHFSS-UHFFFAOYSA-N 323.396 3.363 10 10 DGCE C[C@@H](O)[C@H](NCc1cc(Cl)cc(F)c1O)c1ccccc1 827855692 GRZSBBRLCHGOTH-BMIGLBTASA-N 309.768 3.396 10 10 DGCE Oc1ccc2ccccc2c1CN1CCOC[C@H]1C(F)(F)F 739871760 WYPVVIVBNGHBII-HNNXBMFYSA-N 311.303 3.309 10 10 DGCE CCOC(=O)[C@@H]1CCC[C@@H]1NC/C=C/c1ccc(N(C)C)cc1 835055819 ZRCWNFZVZGLUHF-IBQUMJASSA-N 316.445 3.087 10 10 DGCE C[C@H]1CN(Cc2ccc(N(C)C)cc2)C[C@H](CC(F)(F)F)O1 852741121 FPWMMPDSKIOZMH-WFASDCNBSA-N 316.367 3.294 10 10 DGCE COc1ccc(N2CC[C@@H](Nc3ncc(C(F)F)cn3)C2)cc1 853761412 SRXXEKVVTASPHV-GFCCVEGCSA-N 320.343 3.114 10 10 DGCE Oc1ccc(Br)cc1CNCC1(C(F)F)CC1 697871370 JXZVUFFTYALRIE-UHFFFAOYSA-N 306.150 3.290 10 10 DGCE Nc1ccc(C[C@H](O)Cc2sccc2Br)cc1 696543662 VNMAOYNXBZNOSA-NSHDSACASA-N 312.232 3.239 10 10 DGCE COc1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2C(C)C)c(O)c1 792981591 XPPZLQPUJBIFNZ-JKSUJKDBSA-N 320.433 3.415 10 10 DGCE CCc1nc(C(C)C)ccc1C(=O)NCc1c(O)cccc1O 1156885967 QJYYLSNLIZNIOG-UHFFFAOYSA-N 314.385 3.109 10 10 DGCE COc1ccc(CNC[C@@H](NC(=O)C(C)(C)C)C2CC2)cc1C 1269141197 ZJMDQHHCNHKYBP-MRXNPFEDSA-N 318.461 3.034 10 10 DGCE Nc1ccc(Oc2cc(Br)cc(F)c2F)nc1 219770064 RPZHCMXEGXQKTF-UHFFFAOYSA-N 301.090 3.497 10 10 DGCE CCN(C(=O)/C=C(/C)c1cnccn1)c1ccc(F)c(F)c1 1526158349 AZQKBLUWPKNODS-FLIBITNWSA-N 303.312 3.211 10 10 DGCE CCN(CC(=O)NCc1cccc(Cl)c1O)c1ccccc1 1472316620 ZVLDBIYXKKNIFJ-UHFFFAOYSA-N 318.804 3.188 10 10 DGCE CC(=O)c1cccc(C(=O)NCc2cc(Cl)ccc2O)c1 1628681007 RUGRXZCVUCMOSA-UHFFFAOYSA-N 303.745 3.178 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)Nc1cnccc1-c1ccccc1 1632878133 LEZAKLLQSJHEEY-UHFFFAOYSA-N 320.348 3.341 10 10 DGCE O=C(NCc1c(O)cccc1F)NC[C@@H]1C[C@H]1C1CCCC1 1565481156 HWFWONKZMARMBR-STQMWFEESA-N 306.381 3.157 10 10 DGCE CCN(CC)c1ccc(CNC(=O)NOCC2CCC2)cc1F 1682876433 QKKGFEJMNDPECX-UHFFFAOYSA-N 323.412 3.203 10 10 DGCE CC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CCCCN=[N+]=[N-] 1962287520 JEAOFFKGOPTTEC-CYBMUJFWSA-N 311.430 3.408 10 10 DGCE C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC(C)(C)CN1CCN=[N+]=[N-] 1962303685 IRPXRDFAISVFON-RYUDHWBXSA-N 311.430 3.310 10 10 DGCE CCN(CCN=[N+]=[N-])C[C@@H]1CCCCN1C(=O)OC(C)(C)C 1962302523 ZGBVGLBUSBMSSV-ZDUSSCGKSA-N 311.430 3.408 10 10 DGCE CNCc1ccc(N(C)[C@@H]2CCO[C@@H]2C)cc1C(F)(F)F 160099393 WYBYTBSSEFVMOW-QMTHXVAHSA-N 302.340 3.038 10 10 DGCE CC(C)(C)OC(=O)N[C@]1(C)CCC[C@H]1[C@H](N)c1ccccc1O 1937394425 YVKHZSSDKBGYDL-JCKWVBRZSA-N 320.433 3.476 10 10 DGCE CC(=O)NCCN=NNc1cc(C(F)(F)F)ccc1Cl 1860492278 LQKLRVDWIWNDRW-UHFFFAOYSA-N 308.691 3.274 10 10 DGCE CCN(CC)c1ccc(-c2nc3cc(C(=O)NC)ccc3[nH]2)cc1 1872730862 SAZLFAFOCYEZCT-UHFFFAOYSA-N 322.412 3.436 10 10 DGCE CN(Cc1cccc(Br)c1O)CC1CC(F)C1 1944068884 LLZRKZZJZLUBAQ-UHFFFAOYSA-N 302.187 3.335 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@@H]1C[C@H](O)C12CCC2 1875446456 VLWKAKRXYZWAKX-GWCFXTLKSA-N 316.228 3.340 10 10 DGCE Nc1ccc(CN[C@@H]2CCCCN(Cc3ccccc3)C2)cc1 1976026800 SDKRLLPVTZXSCQ-HXUWFJFHSA-N 309.457 3.413 10 10 DGCE C[C@H](CCNC(=O)OC(C)(C)C)[C@H](O)c1ccc(N(C)C)cc1 1977957526 GHQUUAJYMJBYKW-CJNGLKHVSA-N 322.449 3.337 10 10 DGCE CC(C)CN(CCNC(=O)OC(C)(C)C)Cc1ccc(N)cc1 1977912904 HDZYDRPBGRNOLK-UHFFFAOYSA-N 321.465 3.252 10 10 DGCE N[C@@H](c1ccccc1O)[C@@H](O)c1ccsc1C(F)(F)F 2148147960 MYNMBVMROKDRJR-QWRGUYRKSA-N 303.305 3.206 10 10 DGCE Nc1ccc(NC(=O)CCSc2nccs2)c(Cl)c1 40676598 DRHDGPRPWLQVMJ-UHFFFAOYSA-N 313.835 3.500 10 10 DGCE C[C@]1(C(F)F)C[C@@H]1NCc1cccc(Br)c1O 2008230649 PIXPEXUCPNDLKV-CABZTGNLSA-N 306.150 3.288 10 10 DGCE CC[C@@H](c1cc(Br)ccc1O)N(C)CC(C)(C)N 692070602 GAXZNBOUINXDTD-LBPRGKRZSA-N 315.255 3.275 10 10 DGCE COc1ccc(O)c(Cn2nc(C3CC3)c(C(C)(C)C)c2N)c1 2079746219 LNORZOHYFZBROG-UHFFFAOYSA-N 315.417 3.403 10 10 DGCE CSc1ncc(CN[C@H]2CCN(Cc3ccccc3)C2)s1 2208424639 FBTRGQKPWMIPRI-AWEZNQCLSA-N 319.499 3.229 10 10 DGCE CSc1ncc(CNCc2cccc([N+](=O)[O-])c2F)s1 2208618584 YGBOKXHYAKXYFE-UHFFFAOYSA-N 313.379 3.202 10 10 DGCE CN(c1cc(Cl)c(CN)cc1F)[C@@H]1CC[C@@H]2[C@H]1C2(F)F 2238687592 BAUPJERMNLPHAW-XTWCZFFVSA-N 304.743 3.418 10 10 DGCE Cc1ccc(CN[C@@H](C)CCCCO)c(O)c1Br 2327801882 VTNHPLJTFMSPBX-NSHDSACASA-N 316.239 3.104 10 10 DGCE Cc1ccccc1CSC[C@@H](O)COc1ccc(N)cc1 54963811 FVKKKNMJORPGOO-INIZCTEOSA-N 303.427 3.250 10 10 DGCE CC1=NN(c2ccccc2)C(=O)/C1=C/N(O)Cc1ccccc1 103505762 HHOCYUXQKOMOKB-GHRIWEEISA-N 307.353 3.184 10 10 DGCE COc1ccc(CNC[C@@H](C)NC(=O)CC(C)(C)C)cc1C 1274678791 MBLFDJYAWVXCIH-CQSZACIVSA-N 306.450 3.034 10 10 DGCE Cc1ccc(C(=O)Nc2nccc3sccc23)c(O)c1O 129068483 RONAHXGPBUXJJD-UHFFFAOYSA-N 300.339 3.268 10 10 DGCE C[C@H](NCCCNC(=O)c1cccs1)c1cc(F)ccc1O 186032040 LXAXAZKOQKXRCA-NSHDSACASA-N 322.405 3.064 10 10 DGCE CC(C)c1nnsc1CN(C)c1ccc(CN)cc1Cl 2361103285 UVYPZXUJMXLALW-UHFFFAOYSA-N 310.854 3.410 10 10 DGCE CCC[C@H]1CCCCN1c1cc2c(cc1Cl)[C@@H](N)C(=O)N2 219343539 SGARLLCSMQJHBS-ZUZCIYMTSA-N 307.825 3.451 10 10 DGCE CCN1/C(=C2\SC(=S)NC2=O)C=Cc2cccc(C)c21 30734573 AEPHGEHDNBSRIA-QBFSEMIESA-N 302.424 3.208 10 10 DGCE CC1(C)CN(c2ccc(/C=C/C(=O)O)cc2Br)C1 311149441 IJBWCKHWCJXDDS-GQCTYLIASA-N 310.191 3.393 10 10 DGCE COc1cc(OC)cc(N(C)Cc2c[nH]nc2-c2cccnc2)c1 191681260 CNLPQJBJDJYBED-UHFFFAOYSA-N 324.384 3.125 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@H](CN(C)C)c2ccccc2)c1 192926375 XBKBTUVMBKVSJN-KBXCAEBGSA-N 314.429 3.354 10 10 DGCE CC(C)(C)OC(=O)NC/C=C\CN[C@H]1CCc2cccc(O)c21 381908108 YVLFPTWRVXEHQX-WSNITJDQSA-N 318.417 3.050 10 10 DGCE CCN(CC)c1ccc(CNC(=O)/C=C\[C@H]2CCCO2)cc1F 819261138 ZWWLMWRQKRDKLB-WKTRQSJXSA-N 320.408 3.023 10 10 DGCE CCN(c1ccc(N)cc1)S(=O)(=O)c1c(C)csc1C 725094563 BVZIEPRFEHOURF-UHFFFAOYSA-N 310.444 3.162 10 10 DGCE CO[C@]1(CN[C@@H]2C[C@H](C)c3c(F)ccc(O)c32)CCSC1 903314736 PFCQFSMYCOVKDN-IETSOEAISA-N 311.422 3.191 10 10 DGCE CN(C)c1ccc(/C=C/CNc2ccc(OCCO)cc2)cc1 835031843 NOUANEZSHXIMQB-ONEGZZNKSA-N 312.413 3.249 10 10 DGCE COc1ccc(N(CC(C)C)C(=O)/C=C/c2cnccn2)cc1 918156246 OQIHRUAOFZNBQH-RUDMXATFSA-N 311.385 3.188 10 10 DGCE COc1cc(C)c(CNCc2cc(Cl)ccc2O)c(C)n1 846054892 HTPPQQGNCDCSRZ-UHFFFAOYSA-N 306.793 3.356 10 10 DGCE CCN(CC)c1ccc(CN(C)C2C[C@@H]3CC[C@H](C2)N3)cc1F 843046892 HURQLFHWPVYGQO-SJPCQFCGSA-N 319.468 3.387 10 10 DGCE CCN(CC)c1ccc(CN2CC[C@@H](C)[C@H](C(=O)O)C2)cc1 843041559 SFJGTWOMZFIAEZ-RHSMWYFYSA-N 304.434 3.075 10 10 DGCE COc1cccc(CCN[C@@H](C)c2cccc(OC)c2O)c1 846140689 YLLAYJPVLYNHDV-ZDUSSCGKSA-N 301.386 3.303 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@]2(C1)CC2(F)F 844994343 ZNICICSVUNDHPI-INIZCTEOSA-N 323.387 3.002 10 10 DGCE CCCc1ccc(O)c([C@@H](CC(=O)O)NC(=O)OC(C)(C)C)c1 687752716 MFPAAYBOINNFSI-CYBMUJFWSA-N 323.389 3.385 10 10 DGCE C[C@@H](NC(=O)Nc1ccc(N)cc1)c1ccc2c(c1)CCCO2 853321960 WJGRRKKZZILQFZ-GFCCVEGCSA-N 311.385 3.477 10 10 DGCE CC[C@@H]1C[C@@H](CN(C)c2ccc(OCCN(C)C)cc2)CCO1 761222683 LHTFZXZEVSESIV-FUHWJXTLSA-N 320.477 3.268 10 10 DGCE COc1ccccc1C/C(C)=C\C(=O)N1Cc2cccc(O)c2C1 871202693 LIRZHTBCLBYOMR-KAMYIIQDSA-N 323.392 3.432 10 10 DGCE CC(C)(C)OC(=O)NC1CC(F)(CNc2ccc(N)cc2)C1 1959382699 MZMMCVKPBSNCCL-UHFFFAOYSA-N 309.385 3.076 10 10 DGCE Cc1cc(CN2CC[C@]23CCOC3)ccc1N1CCCCC1 1117989359 HVWYHQGRFCQRMV-LJQANCHMSA-N 300.446 3.350 10 10 DGCE C[C@H](Nc1ncncc1Br)c1ccc(N(C)C)cc1 772301943 XWDCJXAAZLFWBT-JTQLQIEISA-N 321.222 3.478 10 10 DGCE CC1(C)CN(Cc2ccc(F)cc2)c2ccc(CN)cc2O1 74337612 PIOLSEKFYSBIMA-UHFFFAOYSA-N 300.377 3.462 10 10 DGCE Cc1cccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)c1O 704625671 VMXRGIPUTXLZMF-UKRRQHHQSA-N 320.433 3.188 10 10 DGCE Oc1c(F)cc(Cl)cc1CNC1(c2ncccn2)CCC1 895621901 DPPMDJFRYCNJMX-UHFFFAOYSA-N 307.756 3.144 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@@H]3[C@H](C2)C3(F)F)cc1Br 715519771 COBWCZFMOIYXTD-ONOSFVFSSA-N 318.161 3.204 10 10 DGCE Nc1ccc(OC[C@H]2Cc3cc(Br)ccc3O2)cc1 90900474 YDLKVBHHSXYCAC-CQSZACIVSA-N 320.186 3.414 10 10 DGCE C[C@H](NC(=O)COCc1cccc(Cl)c1)c1ccccc1O 1302538247 KWEHHIXYKXTXGL-LBPRGKRZSA-N 319.788 3.440 10 10 DGCE Cc1ccc(O)c([C@H](C)NCC2CCC3(CC2)OCCO3)c1 193381000 DFTCIETUWSKGOR-AWEZNQCLSA-N 305.418 3.285 10 10 DGCE C[C@H](CNC(=O)OC(C)(C)C)NCc1ccc2c(c1)CCCO2 1620910675 BHPCHRUDFWQNJI-CYBMUJFWSA-N 320.433 3.014 10 10 DGCE COCCOCCN(CCCCN=[N+]=[N-])Cc1ccccc1 1912154900 DPVTWMGEODBPTM-UHFFFAOYSA-N 306.410 3.242 10 10 DGCE CCN(CCSC)c1ccc(CNC)cc1Br 1917004691 HCCCGIGKDGRGNE-UHFFFAOYSA-N 317.296 3.358 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnc2ccccc2c1 1447563158 MGOLRGACYHXTEA-LBPRGKRZSA-N 322.364 3.007 10 10 DGCE CC[C@@H]1C[C@H]1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1525594924 WYFHXTBBFRIOKE-BDJLRTHQSA-N 319.360 3.447 10 10 DGCE O=C(NCc1c(O)cccc1F)c1nc2ccccc2s1 1645048466 XCUFKRXPZCLABP-UHFFFAOYSA-N 302.330 3.071 10 10 DGCE Cc1ccoc1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 1641439253 KLSPVPMLCPVQLW-UHFFFAOYSA-N 300.318 3.023 10 10 DGCE COc1cccc2[nH]c(C(=O)N(C)Cc3ccccc3O)cc12 1588156344 WAQKSHHSYNIHCE-UHFFFAOYSA-N 310.353 3.154 10 10 DGCE CCc1cccc(N(C)C(=O)c2cn(C)nc2-c2cccnc2)c1 1596549487 UWEWMLPPJRYKML-UHFFFAOYSA-N 320.396 3.321 10 10 DGCE C[C@H](c1ccccn1)N1CCN(Cc2ccc(N(C)C)cc2)CC1 155044533 OIWFUCJJDZEOSF-QGZVFWFLSA-N 324.472 3.026 10 10 DGCE CN[C@H](c1ccccc1O)[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1937868641 IWLKIBWANAQZQN-WQVCFCJDSA-N 320.433 3.298 10 10 DGCE O=C1/C(=C\c2ccsc2)SC(=S)N1C[C@H]1CCCO1 1858587653 RYLCECMIRKOMOA-VUUNSECVSA-N 311.453 3.128 10 10 DGCE C[C@H](N(C)c1ccc(CO)c(Br)c1)C(F)(F)F 1946342534 UKNFQUWXLAEEKE-ZETCQYMHSA-N 312.129 3.328 10 10 DGCE CCN[C@@](CC)(CCCSc1nccs1)C(=O)OCC 2144122772 XLPHTGBQLCRPAB-AWEZNQCLSA-N 316.492 3.337 10 10 DGCE CCN(CC)c1ccc(CN[C@@H]2CCC[C@@H]2C(=O)OC)cc1F 1320835707 AWVIFZWBQTYKFZ-GOEBONIOSA-N 322.424 3.103 10 10 DGCE CCc1nc([C@@H](N)c2ccccc2O)c(Br)s1 2003573093 XHUGKKLRGPVVMO-JTQLQIEISA-N 313.220 3.222 10 10 DGCE CN(C)c1ccc([C@@H](O)CC(C)(C)NC(=O)OC(C)(C)C)cc1 1977957697 HXKCLQLVJLWVSF-HNNXBMFYSA-N 322.449 3.479 10 10 DGCE CN(C)c1ccc([C@@H](N)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 1977945402 NNUCENHCBPJTMR-JKSUJKDBSA-N 319.449 3.152 10 10 DGCE C[C@H](O)c1ccc(N2CCC[C@@H]2CF)cc1Br 2004457071 YYQWBTGLFHKVOB-GXSJLCMTSA-N 302.187 3.441 10 10 DGCE COc1ccc2nc(Sc3ncc([C@@H](C)N)s3)[nH]c2c1 2159807632 NLPYXJPRBVOZKU-SSDOTTSWSA-N 306.416 3.199 10 10 DGCE CN[C@@H](c1ccc(N(C)C)cc1)c1ccnn1Cc1ccccc1 2024721660 IDCVAZAPNZZJBR-FQEVSTJZSA-N 320.440 3.306 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN(Cc2cc(Br)sn2)C1 2024816741 RCELIJZMEQJPKI-MRVPVSSYSA-N 316.228 3.428 10 10 DGCE CN(CC1[C@@H]2CCC[C@@H]12)c1ccc(CN)c(Br)c1 2032802734 XORUORPAZJPTSG-CHWSQXEVSA-N 309.251 3.390 10 10 DGCE CCNCc1ccc(N2C[C@H]3C[C@]3(C)C2)cc1Br 2035032476 RZTQIODCCGNSJQ-IUODEOHRSA-N 309.251 3.405 10 10 DGCE CN1CCc2cc([C@@H](N)[C@H](O)c3sccc3Cl)ccc21 2163128904 YKKZLKVCUWAAMX-KGLIPLIRSA-N 308.834 3.127 10 10 DGCE NCc1cc(F)c(N(CC(F)F)C2CC2)cc1Br 386070811 JIZBRRDIGJXIKF-UHFFFAOYSA-N 323.156 3.281 10 10 DGCE Nc1cccc(Br)c1N[C@@H](CCO)C1CCCC1 725126930 LCOIPOVLWKURQF-ZDUSSCGKSA-N 313.239 3.384 10 10 DGCE CC(C)c1cc(C=O)n(Cc2cccc(Br)c2O)n1 2069982963 YATCIRJWSZQFNM-UHFFFAOYSA-N 323.190 3.335 10 10 DGCE Cc1ccc([C@H](C)n2nc(C(C)(C)C)c(C=O)c2N)c(O)c1 2079030788 AAIFMNVIUVCSMY-NSHDSACASA-N 301.390 3.199 10 10 DGCE Cc1cc(O)c([C@H](C2CC2)n2nc(C(F)F)c(N)c2N)cc1C 2079847876 ZTPXBPQNJAFQEB-AWEZNQCLSA-N 322.359 3.307 10 10 DGCE CCc1nn([C@@H](c2ccc(OC)cc2O)C2CC2)c(Cl)c1N 2079998597 ROFTUBLYKMDVJB-OAHLLOKOSA-N 321.808 3.395 10 10 DGCE CN[C@@H](C)c1cc(F)c(N2CC(SC(F)F)C2)c(F)c1 2196704590 PWANQQZGUDQYBX-ZETCQYMHSA-N 308.344 3.390 10 10 DGCE Cn1nc(CNCc2cccc(Cl)c2O)c(Cl)c1Cl 2094364918 USQUUJCIWCHXMH-UHFFFAOYSA-N 320.607 3.376 10 10 DGCE COc1cc(Cl)cc(CNC[C@H]2SCC[C@H]2C)c1O 2094447178 BJPJTMKUKDMBLC-NOZJJQNGSA-N 301.839 3.285 10 10 DGCE CN(Cc1ccccc1O)c1c(F)cncc1Br 2219383584 UHCIVZWIFIWBJR-UHFFFAOYSA-N 311.154 3.325 10 10 DGCE COc1ccc(N2CC3(CCOCC3)C2)c(Br)c1 2221624204 SRZPSMHGXPNPQK-UHFFFAOYSA-N 312.207 3.075 10 10 DGCE CCCOc1cc(N2CC(SC(F)(F)F)C2)ccc1N 2237482511 HDUQZAAXYDTXGV-UHFFFAOYSA-N 306.353 3.499 10 10 DGCE Cc1ncc(Br)cc1NCc1ccc(O)c(O)c1 2254067132 HUTSGVKGYIQEHT-UHFFFAOYSA-N 309.163 3.176 10 10 DGCE CSc1ncc(Cn2c(Cl)nc(Cl)c2C(=O)O)s1 2256941694 SVGORULWWBYUTN-UHFFFAOYSA-N 324.214 3.115 10 10 DGCE COc1cccc(O)c1CNc1cc(Br)cnc1C 2265177721 WTRYVVVSOLCIPQ-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE O=C1C(=Cc2ccncc2)SC(=S)N1Cc1ccccc1 2296667793 DTCONVUMFNKVFF-UHFFFAOYSA-N 312.419 3.483 10 10 DGCE COc1ccc([N+](=O)[O-])cc1N=NN(C)CCc1ccncc1 2330193344 DQWIMHLXDNKGRZ-UHFFFAOYSA-N 315.333 3.172 10 10 DGCE Oc1cc2c(cc1O)CN(c1cccc(Br)c1)CC2 2341217472 XMPDJJARMWTEER-UHFFFAOYSA-N 320.186 3.423 10 10 DGCE Oc1cc2c(cc1CN1CCN(c3ccccc3)CC1)CCC2 2630215 VZKCLLQKALAJPA-UHFFFAOYSA-N 308.425 3.203 10 10 DGCE CCN(CC)c1ccc(CNC(=O)c2ccn3ccnc3c2)cc1 178474222 FWACZTHXZCIMKU-UHFFFAOYSA-N 322.412 3.111 10 10 DGCE CC(C)(C)CS(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1 213416286 IKIKXLCEIWTVMO-UHFFFAOYSA-N 312.218 3.487 10 10 DGCE C[C@H](NC(=O)COc1ccc(N)cc1)c1ccccc1Cl 38055693 ZIVOLHMZDRCMGI-NSHDSACASA-N 304.777 3.178 10 10 DGCE CCc1ccc(C(=O)N[C@H](C)c2cc(OC)ccc2O)c(C)n1 184055723 ZJAQDZOFJFCUHF-GFCCVEGCSA-N 314.385 3.158 10 10 DGCE CC[C@H]1CN([C@@H](C)c2cc(Br)ccc2O)CCO1 132010723 KRTHABMWZSUNHU-JQWIXIFHSA-N 314.223 3.327 10 10 DGCE CCN[C@@H](C)c1ccc(N2C[C@@H](N(C)C)[C@H](C)C2)c(Cl)c1 227226076 KKHUVWIGJPPGAY-IIYDPXPESA-N 309.885 3.397 10 10 DGCE COc1ccc([C@H](C)NCc2ccc3c(c2)CCO3)c(OC)c1 43288545 MWHZYHWEWUJWAP-ZDUSSCGKSA-N 313.397 3.490 10 10 DGCE CSCCC1CC(N(C)c2c(F)cc(CO)cc2F)C1 2370645088 IVKQHNGGUBUSTR-UHFFFAOYSA-N 301.402 3.425 10 10 DGCE Nc1ccc(CC(=O)NCc2ccccc2OC2CCC2)cc1 237905406 UZMPWURQIHAACG-UHFFFAOYSA-N 310.397 3.059 10 10 DGCE COc1cccc(CN2CC[C@@](F)(c3ccccc3)C2)c1O 802656922 SCEWVUCFQQIFNH-SFHVURJKSA-N 301.361 3.472 10 10 DGCE Cc1cc(N(CC(F)(F)F)CC(F)(F)F)ccc1CN 719435045 KYDDCCSPWLQSBW-UHFFFAOYSA-N 300.246 3.385 10 10 DGCE C[C@@H](N[C@H]1CC12CCNCC2)c1ccc(Cl)c(Cl)c1O 817976152 HMJLCKSCGRJRKW-SKDRFNHKSA-N 315.244 3.492 10 10 DGCE CN(C)c1ncccc1CNCc1ccc2ccccc2c1O 816534956 AADNIBGRBOZSAI-UHFFFAOYSA-N 307.397 3.296 10 10 DGCE Cc1nc(Br)c(Br)n1CCN=[N+]=[N-] 725521366 XVNOKVNDEXRWFI-UHFFFAOYSA-N 308.965 3.027 10 10 DGCE CC(C)N(Cc1ccc(Br)cc1O)[C@H]1CCOC1 825955263 JDRMIPZUZWDOPO-ZDUSSCGKSA-N 314.223 3.154 10 10 DGCE Oc1c(F)cc(Cl)cc1CN[C@@H]1C[C@H](O)c2ccccc21 827179447 YBDBPZDNHSJUPS-CABCVRRESA-N 307.752 3.453 10 10 DGCE COc1cccc(CNCc2cc(C)c(OC)c(C)c2)c1O 733900768 GXSMULQBTVQQQT-UHFFFAOYSA-N 301.386 3.316 10 10 DGCE CC(C)c1ccc(NC(=O)COC(=O)c2cc(O)cs2)cc1 731911258 HZVDCZXRYMUGEQ-UHFFFAOYSA-N 319.382 3.373 10 10 DGCE CC(C)c1nc([C@H](C)NC/C=C/c2ccc(N(C)C)cc2)n[nH]1 835042394 UXFCWJXEJUYTRC-UZYOAWRESA-N 313.449 3.358 10 10 DGCE Cc1cc(C)cc(-n2c(C)cc(C(=O)NCC[C@@H](C)O)c2C)c1 749393515 MYPYNDVKHJJZCV-OAHLLOKOSA-N 314.429 3.212 10 10 DGCE CCOc1cccc(CN2CCCc3cc(CN)ccc32)c1O 843057342 HZUUKQYHQZALKT-UHFFFAOYSA-N 312.413 3.202 10 10 DGCE C[C@H]1CC[C@H](NCc2ccc(N3CCOCC3)c(F)c2)CS1 848520727 JZFNYUCOIDWCKW-ZFWWWQNUSA-N 324.465 3.036 10 10 DGCE C[C@@]1(NCc2cc([N+](=O)[O-])ccc2O)CCOc2ccccc21 923024846 INWYZOHBGWGXCH-QGZVFWFLSA-N 314.341 3.088 10 10 DGCE CCOc1ccc(CN[C@]2(CO)CCCC(C)(C)C2)c(O)c1 858252239 ZLCNBNKKOTWZFF-GOSISDBHSA-N 307.434 3.212 10 10 DGCE O=C(NCc1c(O)cccc1F)[C@@H]1CC[C@H](C(F)(F)F)C1 928708723 RQXOXUYFZCLQBN-BDAKNGLRSA-N 305.271 3.126 10 10 DGCE Cc1nc(CN(Cc2ccccc2O)C[C@H]2CCCO2)c(C)o1 851841150 NKRVWBNBKBJCAR-MRXNPFEDSA-N 316.401 3.178 10 10 DGCE CC[C@H](C)n1ncc(NC(=O)NCc2c(O)cccc2F)c1C 931070085 ODDUMXSXXPPOQP-JTQLQIEISA-N 320.368 3.329 10 10 DGCE COCC(C)(C)CNC(=O)c1ccc(-n2c(C)ccc2C)cc1 1129413897 XIIDGEXERYXRPN-UHFFFAOYSA-N 314.429 3.497 10 10 DGCE Cc1cc(Br)c(O)c(CNC[C@]2(C)CCCO2)c1 781631891 CWWFIGJIBRQYGP-AWEZNQCLSA-N 314.223 3.122 10 10 DGCE CN(c1ccc(CO)cc1Cl)C1CCP(C)(=O)CC1 1879109208 LNNAHZBLIVRXKD-UHFFFAOYSA-N 301.754 3.424 10 10 DGCE Cc1cc(C(=O)N[C@H](C)c2ccccc2O)ccc1-n1cccn1 1151885968 PGDPPUPFYRJIJX-CQSZACIVSA-N 321.380 3.377 10 10 DGCE Cc1ccc(C(=O)Nc2ccc(-c3ccon3)cc2)c(O)c1O 1303966817 JMHZPGGTPHQGEV-UHFFFAOYSA-N 310.309 3.314 10 10 DGCE O=C(/C=C\COc1ccccc1)NCc1cccc(Cl)c1O 1159041508 PXQMTTOBJGSLOZ-YHYXMXQVSA-N 317.772 3.297 10 10 DGCE CN(C)c1ccc([C@H](O)CCCNC(=O)OC(C)(C)C)cc1 1959570394 QUCISBKTHHOEQI-OAHLLOKOSA-N 308.422 3.091 10 10 DGCE Cc1cc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc(O)c1C 1176276015 FPJRFPYSNFWCNN-UHFFFAOYSA-N 312.329 3.424 10 10 DGCE COC(=O)[C@H](CC(C)(C)C)NCc1ccc(N2CCCC2)cc1 1327121404 QCWFKBTYWIGYBI-KRWDZBQOSA-N 318.461 3.354 10 10 DGCE CC(C)(CC(=O)NCc1cccc(O)c1O)CC(F)(F)F 1263896156 QFXNIKQYLLAKQE-UHFFFAOYSA-N 305.296 3.083 10 10 DGCE COc1ccc(N(C)C(=O)/C=C\c2cccnc2C)cc1OC 1264853080 RGGVJCKULWDQQC-YFHOEESVSA-N 312.369 3.083 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)N[C@H]2C[C@@](C)(O)C2)c1 1451728120 SVLHUIXOBZISES-GLRZTSSQSA-N 312.413 3.046 10 10 DGCE CC[C@@H](NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C)[C@H](C)O 1467991490 LTHSTNJXBQGWAX-MAUKXSAKSA-N 314.429 3.292 10 10 DGCE CCOC(=O)c1c[nH]nc1Sc1ncc(C(F)F)s1 2118033954 MLTVRMVNLKWUGT-UHFFFAOYSA-N 305.331 3.132 10 10 DGCE Cc1ccc(O)c(CNC(=O)Cc2c[nH]c3ccc(F)cc23)c1 1640796755 NUMFEGCLBQSDGR-UHFFFAOYSA-N 312.344 3.180 10 10 DGCE O=[N+]([O-])c1ccc(N2Cc3cccc(O)c3C2)c2ccncc12 1651353220 NDMMZNYBJIGGEZ-UHFFFAOYSA-N 307.309 3.369 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)N[C@@H]1C[C@H]2C=C[C@H]1CC2 1687696287 MLRJHSCQYDPNCM-COPLHBTASA-N 306.793 3.200 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCC(C)(C)F 1684538666 XFDABSDEWSCVQY-UHFFFAOYSA-N 307.413 3.176 10 10 DGCE COc1ccc2ccc(O)c(CN(C)C[C@H]3CCCO3)c2c1 151740982 YHDBGMSNMUTOMI-OAHLLOKOSA-N 301.386 3.165 10 10 DGCE COc1ccc([C@H]2CN(Cc3ccc(N)cc3)C(=O)O2)cc1C 585893648 VOSKBSJDOJYQLQ-QGZVFWFLSA-N 312.369 3.279 10 10 DGCE [N-]=[N+]=NCCC[S@](=O)Cc1cccc(Br)c1 1902037914 ZLSWBEOYOBASRQ-INIZCTEOSA-N 302.197 3.398 10 10 DGCE CCCN(c1ccc([C@H](C)N)cc1Br)C1COC1 1915643464 KRHVIXSRTXRRRH-JTQLQIEISA-N 313.239 3.084 10 10 DGCE CNCc1ccc(N2CCSC[C@@H]2C)cc1C(F)(F)F 167381104 ZTCSMRCYAKRTTF-JTQLQIEISA-N 304.381 3.367 10 10 DGCE CN1CCc2cc([C@]3(O)CC[C@@H]3OCc3ccccc3)ccc21 1977940403 ZNCFZZGYABLUOL-VQTJNVASSA-N 309.409 3.246 10 10 DGCE CN(CCCN=[N+]=[N-])[C@@H]1CCN(C(=O)OC(C)(C)C)CC12CC2 1986944821 UGFJCXXHVCMOJY-CYBMUJFWSA-N 323.441 3.408 10 10 DGCE CN(CCN=[N+]=[N-])[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1 1991835652 IDAWBKPUFKHOCA-AWEZNQCLSA-N 319.409 3.495 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@](F)(COc2ccc(N)cc2)C1 1992433853 OQUIPWIMURSHRG-QGZVFWFLSA-N 324.396 3.387 10 10 DGCE Oc1cccc(Br)c1CN[C@@H]1C[C@@]12CC2(F)F 2004611540 YVYFHYVRLJWFED-GHMZBOCLSA-N 304.134 3.042 10 10 DGCE C[C@H](F)[C@H]1CCCN1c1ccc(CO)cc1Br 2010503021 ZGBIZGMZTUKTSX-JOYOIKCWSA-N 302.187 3.268 10 10 DGCE COc1ccc(COc2ccc(C)nc2N)cc1Br 50441099 XVEQAEGIXKQJIN-UHFFFAOYSA-N 323.190 3.322 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C[C@@]2(Br)CC2(F)F)CC1 2023775836 LUGWRTNZXMVISQ-IUCAKERBSA-N 309.158 3.324 10 10 DGCE CN(C[C@@H]1CC1(F)F)c1cc(Br)c(CN)cc1F 2036086693 DIQCCDZPCZGEFQ-QMMMGPOBSA-N 323.156 3.138 10 10 DGCE CNCc1cc(F)c(N2CCC[C@@H](CSC)C2)c(F)c1 380770329 RPDCYOLLSQLKKO-LLVKDONJSA-N 300.418 3.264 10 10 DGCE [N-]=[N+]=NCCCNC(=O)c1ccc(Cl)nc1C(F)(F)F 2178762364 PECYHCDHOYYRRM-UHFFFAOYSA-N 307.663 3.184 10 10 DGCE C[C@H](c1cc(Br)ccc1O)N(C)[C@@]1(C)CCOC1 2055449153 RMWCLJAHZXOJQS-YGRLFVJLSA-N 314.223 3.327 10 10 DGCE CC(=O)N[C@@H](c1cccc(F)c1)c1ccc2cccnc2c1O 22108600 HMOAULYPJNEQMW-INIZCTEOSA-N 310.328 3.305 10 10 DGCE CNCc1ccc(N(C)C[C@@]2(Br)CC2(F)F)cc1 2082513636 IRKPCSBPWWPYPZ-LBPRGKRZSA-N 319.193 3.015 10 10 DGCE CNCc1ccc(N2C[C@H]3[C@@H](C)C[C@H]3C2)c(Br)c1 2085506785 HGKPYMGIJBPTPG-DRZSPHRISA-N 309.251 3.261 10 10 DGCE CN1CCCc2cc([C@H](N)c3ccoc3Br)ccc21 2106832108 WUVNTGSAJRTDJG-AWEZNQCLSA-N 321.218 3.473 10 10 DGCE Oc1c(Br)cccc1CNC[C@@H](F)C1CCC1 2215288385 HVAULMOOGNFWTK-GFCCVEGCSA-N 302.187 3.383 10 10 DGCE CCCN[C@H]1CCN(c2ccc(OC)cc2Br)C1 2221624004 HJKKTQPESVLVKC-NSHDSACASA-N 313.239 3.036 10 10 DGCE O=C(C=Cc1cnc2ccccc2n1)N1CCc2ccc(F)cc21 2297412271 VXLBAUFWZLNPMF-UHFFFAOYSA-N 319.339 3.371 10 10 DGCE O=C(c1cncc(Br)c1)c1cccc2c1NCC2 2321119151 XMXLUJHCAFGGER-UHFFFAOYSA-N 303.159 3.043 10 10 DGCE Cc1ccc(CNC(=O)NC(C)(C)C)c(O)c1Br 2327631733 SFEFASCTLNINGQ-UHFFFAOYSA-N 315.211 3.061 10 10 DGCE Cc1ccc(CN(C)CC[C@@H]2CCO2)c(O)c1Br 2327605188 DRJMYSITXNYEBV-GFCCVEGCSA-N 314.223 3.074 10 10 DGCE CC(C)Oc1nc(-c2cccc(F)c2)n(-c2ccc(N)cc2)n1 4420644 RHTWZNSWQRHSQD-UHFFFAOYSA-N 312.348 3.443 10 10 DGCE C[C@@H](C(=O)Nc1ccc(N)cc1)N(C)[C@@H](C)c1cccs1 49725926 BFIMGDQEZBACNU-RYUDHWBXSA-N 303.431 3.350 10 10 DGCE COc1ccc(CNC(C)C)cc1C[S@](=O)C1CCCC1 84050224 NNOVEIQFMKPYNW-OAQYLSRUSA-N 309.475 3.385 10 10 DGCE CN(c1ccc(CN)cc1)[C@H]1CCOC2(CCSCC2)C1 94364459 LFKGVRKULSWNLH-INIZCTEOSA-N 306.475 3.026 10 10 DGCE Cc1cc(NS(=O)(=O)c2cccc3ncccc23)ccc1O 136493385 PQESGSPNUPABBU-UHFFFAOYSA-N 314.366 3.050 10 10 DGCE CCC[C@@H]1CCN(c2cc3c(cc2Cl)[C@H](NC)C(=O)N3)C1 160392424 RDHKGJNWYCRMFO-BMIGLBTASA-N 307.825 3.179 10 10 DGCE CC(=O)c1cc(F)cc(CN[C@@H](c2nccs2)C2CC2)c1O 185446735 HDAUWXHWFSNKDP-CQSZACIVSA-N 320.389 3.431 10 10 DGCE CCOC[C@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)C(C)C 189363572 RSQAADLILMTNMJ-APWZRJJASA-N 320.477 3.235 10 10 DGCE CN(Cc1c(F)cc(C#N)cc1F)c1ccc2c(c1)OCO2 194475430 CEEKSUROUKTERA-UHFFFAOYSA-N 302.280 3.202 10 10 DGCE COc1ccc(CNC[C@@H](C)COCc2ccccc2)c(O)c1 237166196 HPNRSFFCKUFWSE-OAHLLOKOSA-N 315.413 3.343 10 10 DGCE C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)/C=C/c1ccc(O)c(O)c1 245746795 SRBCKDVDFHXUQJ-YKHUSTECSA-N 301.386 3.291 10 10 DGCE Cc1cccc(CN2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)c1O 246015754 ZJQSQWJGNPWLRA-YOEHRIQHSA-N 319.351 3.287 10 10 DGCE NCc1ccc(N2CC[C@H](COCc3ccccc3)C2)cc1F 383903681 KNSDBKBLQCXFTI-INIZCTEOSA-N 314.404 3.328 10 10 DGCE CN[C@H](C)c1ccc(N(C)C[C@H](C)OC)cc1Br 393990231 PYKKVHMPTDGANY-WDEREUQCSA-N 315.255 3.201 10 10 DGCE CNCc1ccc(N2CCC[C@@H](F)C2)c(Br)c1 689453651 UKIFCYFGMDERPZ-LLVKDONJSA-N 301.203 3.107 10 10 DGCE C[C@@H](c1c(O)cccc1O)N(CCC(=O)O)Cc1ccccc1 692428767 PMSJSSLXDJMYRP-ZDUSSCGKSA-N 315.369 3.136 10 10 DGCE CN1CCC[C@@H]1CCNCc1cc(Cl)cc(Cl)c1O 693899316 TVALRCPFYRFVMR-GFCCVEGCSA-N 303.233 3.273 10 10 DGCE [N-]=[N+]=NCCNC(=O)CCOc1ccc(Cl)c(Cl)c1 706285403 RJXLHHKFCGKCCY-UHFFFAOYSA-N 303.149 3.189 10 10 DGCE CO[C@@H](C)CN(C)Cc1cc(Cl)cc(Br)c1O 708134273 QQALGUQBLBGJGM-QMMMGPOBSA-N 322.630 3.275 10 10 DGCE COc1cc(Br)cc(CN[C@@H](C)C2(C)CC2)c1O 725849899 ZVUWWPPVVLBTKR-VIFPVBQESA-N 314.223 3.442 10 10 DGCE COC(=O)c1ccc(O)c([C@@H](C)N[C@@H](C)c2nc(C)cs2)c1 756533759 IBQFUOSITGUTAB-MNOVXSKESA-N 320.414 3.356 10 10 DGCE Cc1ccc2nc(CNCc3cccc(Cl)c3O)cn2c1 776174993 UJYNEEKESXNRFE-UHFFFAOYSA-N 301.777 3.292 10 10 DGCE CCN(CC)c1ccc(CNC(=O)NCCCCF)cc1F 812884802 BAYATBYODSZANA-UHFFFAOYSA-N 313.392 3.221 10 10 DGCE COc1ccc(N2CC[C@H](CNC(=O)/C=C\C(C)(C)C)C2)cc1 819582125 IFMOYTJBDADOQS-ZHUYAKLQSA-N 316.445 3.240 10 10 DGCE CN(C)c1ccc(/C=C/CNCc2ncccc2N(C)C)cc1 835055729 NURJZBLTCHRFEF-FNORWQNLSA-N 310.445 3.017 10 10 DGCE COC[C@H](CCN[C@H](C)c1ccc(N2CCCCC2)cc1)OC 850485561 LBZOLQAMWQZYDJ-APWZRJJASA-N 320.477 3.379 10 10 DGCE COc1ccc(N2CCN(C[C@H]3C[C@@H]4C[C@@H]4C3)CC2)cc1F 851807043 CDYIAQAUMWXSKE-QDMKHBRRSA-N 304.409 3.002 10 10 DGCE Cc1ccc(C(=O)N2CC3(CCC3)[C@H]2c2ccncc2)c(O)c1O 856492135 KJFMQGPOSLNPDU-QGZVFWFLSA-N 324.380 3.169 10 10 DGCE CCO[C@H](C(=O)NCc1ccc(N(CC)CC)cc1)C(C)C 858605404 SREVDAGUKFCTKA-KRWDZBQOSA-N 306.450 3.210 10 10 DGCE O=C(NCc1cccc(Br)c1O)[C@]12CCCC[C@@H]1C2 867830994 MTWMZDCCLAYZKH-ABAIWWIYSA-N 324.218 3.351 10 10 DGCE C[C@H](NC(=O)NCCCOC1CCCCC1)c1ccccc1O 867985536 GUPYLVPOXGSCLE-AWEZNQCLSA-N 320.433 3.492 10 10 DGCE C[C@H](NC(=O)NC[C@@H]1[C@H]2Cc3ccccc3[C@H]21)c1ccccc1O 868423346 ZHIMRDAQXKACAE-ZHCSWWCTSA-N 322.408 3.338 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CCC2(CCC2)O1 895484917 CUBAKIZZXIXYQK-KRWDZBQOSA-N 316.445 3.203 10 10 DGCE c1cc(N2CCOCC2)ccc1CNc1noc2c1CCCC2 902284673 ATRGAPIQDIILCB-UHFFFAOYSA-N 313.401 3.002 10 10 DGCE COc1ccc(O)c([C@H](C)NC[C@H]2CC[C@@H](C(F)(F)F)O2)c1 903178768 JIOZWHSLVQHVRW-PXWWUCIGSA-N 319.323 3.161 10 10 DGCE c1csc(SCCCN[C@H](C2CCOCC2)C2CC2)n1 925104300 XINJQRUONHDMGE-AWEZNQCLSA-N 312.504 3.420 10 10 DGCE CC(=O)c1cc(Cl)cc(CN[C@]23C[C@H]2COC32CCC2)c1O 933391293 CPWFKEDDTCZJGQ-YVEFUNNKSA-N 321.804 3.049 10 10 DGCE C[C@H](NS(=O)(=O)c1ccccc1Cl)c1ccccc1O 1256347417 WBHYNJLZDSUCCV-JTQLQIEISA-N 311.790 3.085 10 10 DGCE O=C(CCc1ccc(Cl)s1)NCc1cc(O)ccc1O 1303223558 VCDLXFFVCLZBEH-UHFFFAOYSA-N 311.790 3.062 10 10 DGCE COc1ccc(CN[C@H](C)CNC(=O)C2CC(C)(C)C2)cc1C 1491445483 WDKNHFGHFDXELC-CQSZACIVSA-N 318.461 3.034 10 10 DGCE CCOC(C)(C)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1531706350 REAOHZBBMSCSBP-UHFFFAOYSA-N 304.434 3.060 10 10 DGCE C/C(=C\c1cccnc1)C(=O)N1CCN(C)c2cc(F)ccc21 1539670500 CGNPICPDGHWXHN-JLHYYAGUSA-N 311.360 3.107 10 10 DGCE CCCCN(Cc1ccccc1O)C[C@@H]1C[C@H]1C(=O)OCC 1559790435 SPMFWWWFKQZWCP-JKSUJKDBSA-N 305.418 3.194 10 10 DGCE CC(=O)c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)ccc1C 1639244110 IPJROQBHWVDDKK-VMPITWQZSA-N 311.337 3.261 10 10 DGCE CC[C@H](C)OC(=O)CCNCc1ccc(N(CC)CC)cc1 1857869909 ZFQBYAIIZFHVHG-HNNXBMFYSA-N 306.450 3.354 10 10 DGCE CCC1=NN(CC)C(=O)/C1=C/c1ccc(OC(C)C)c(OC)c1 1865671206 PSXXHWXHSPBNOA-GXDHUFHOSA-N 316.401 3.494 10 10 DGCE CN(Cc1ccc(N)cc1)Cc1nccn1Cc1ccccc1 1915013716 KUUCGHKMFUURBI-UHFFFAOYSA-N 306.413 3.146 10 10 DGCE CC(C)C[C@@H](NC(=O)OC(C)(C)C)[C@H](N)c1ccccc1O 1928477902 ZWAIXAAFKSWJBC-UKRRQHHQSA-N 308.422 3.331 10 10 DGCE CN(C)c1ccc([C@H]2CC(=O)CCN2C(=O)OC(C)(C)C)cc1 1951646556 UIJMAFODDZSHQT-MRXNPFEDSA-N 318.417 3.394 10 10 DGCE C[C@@H](N[C@H]1C=CCN(C(=O)OC(C)(C)C)C1)c1ccccc1O 1971832639 CGJUVUYISYDSIK-KGLIPLIRSA-N 318.417 3.218 10 10 DGCE COC1(OC)CC[C@H]1CNCc1cc(Cl)cc(Cl)c1O 1972387089 HAGVNZJRGCVILU-JTQLQIEISA-N 320.216 3.188 10 10 DGCE CN(C)c1ccc([C@@H](O)C2(N(C)C(=O)OC(C)(C)C)CC2)cc1 1977939801 SJRCISIOVATHMD-OAHLLOKOSA-N 320.433 3.186 10 10 DGCE CC[C@H](C(F)F)N(C)c1ccc(CN)cc1Br 2009015070 NKSXSSNDSPGFPO-SNVBAGLBSA-N 307.182 3.388 10 10 DGCE NCc1cc(F)c(N2CCC[C@H]3CC[C@H]32)cc1Br 2034337988 BLSLJUNJFWJQLM-TVQRCGJNSA-N 313.214 3.426 10 10 DGCE CC[C@H](c1cc(Br)ccc1O)N(C)[C@@H]1CC[C@@H]1N 2043165244 KPTHIBSSZLXFAU-YNEHKIRRSA-N 313.239 3.027 10 10 DGCE O=C(NCc1c(O)cccc1O)C1CCC(C(F)(F)F)CC1 2063840001 KIAIOBSMMCKJMI-UHFFFAOYSA-N 317.307 3.083 10 10 DGCE CC[C@H](c1ccc(C)cc1O)n1nc(C2(C)CC2)c(C=O)c1N 2079021602 FTYQZKGJOZREOV-CQSZACIVSA-N 313.401 3.343 10 10 DGCE Cc1nn(Cc2cccc(C(F)(F)F)c2O)c(N)c1C1CC1 2079600345 HRHSCLZXSOLYPD-UHFFFAOYSA-N 311.307 3.424 10 10 DGCE CN1CCC[C@]1(C)CNCc1cc(Cl)cc(Cl)c1O 2098728585 DZNLIADGBZHQFG-CQSZACIVSA-N 303.233 3.273 10 10 DGCE CN(C)c1ccc([C@](C)(N)c2ccc(Br)cn2)cc1 2100912477 UXJUDIRJZCDDDQ-HNNXBMFYSA-N 320.234 3.132 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCNCC12CCCC2 2179889234 VMSMBJLZAYMYGE-UHFFFAOYSA-N 315.244 3.417 10 10 DGCE N[C@H]1CCCc2cc(N3CC(SC(F)(F)F)C3)ccc21 2237484782 PGXQAUXZPZZSMF-ZDUSSCGKSA-N 302.365 3.464 10 10 DGCE CCOC(=O)C1=C(C)N(CC(C)C)C(=O)C1=Cc1cccs1 2294085086 GBSRNZVSDLIHPD-UHFFFAOYSA-N 319.426 3.467 10 10 DGCE Cc1ccc(CN2CCC(=O)C[C@@H]2C)c(O)c1Br 2327788151 BAERFUKANDHOLO-JTQLQIEISA-N 312.207 3.017 10 10 DGCE CC(=O)N1CCN(N=Nc2ccc(Cl)c(Cl)c2)CC1 2330156522 ULAVSNVKJCDUNF-UHFFFAOYSA-N 301.177 3.156 10 10 DGCE CC(C)[C@H](CNCc1cc(Cl)cc(Cl)c1O)N(C)C 20547522 ODBGNISBHBUCCB-ZDUSSCGKSA-N 305.249 3.375 10 10 DGCE CC1CCN(Cc2cc([N+](=O)[O-])c3cccnc3c2O)CC1 59507300 INASUAHFXYZNMC-UHFFFAOYSA-N 301.346 3.081 10 10 DGCE CN[C@H](C)c1ccc(N2CC=C(C(F)(F)F)CC2)cc1O 167226687 UWBYWAQJRFZHFY-SNVBAGLBSA-N 300.324 3.371 10 10 DGCE CNCc1ccc(N2CCSC[C@H]2C)cc1C(F)(F)F 167380991 ZTCSMRCYAKRTTF-SNVBAGLBSA-N 304.381 3.367 10 10 DGCE Cc1ccc(NC(=O)NCCc2cc(O)c(O)cc2C)cc1 170293041 LZSQXIBGSXRAML-UHFFFAOYSA-N 300.358 3.079 10 10 DGCE CCc1cccc(NC(=O)[C@H](C)N(C)Cc2ccccc2O)c1 171936967 ZZHLNZQWUGGOPO-AWEZNQCLSA-N 312.413 3.414 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@@H](C)c2cccnc2)cc1 174046368 ADZHROFCQIFXHH-HNNXBMFYSA-N 311.429 3.348 10 10 DGCE CCN(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1O 179328057 PEXINRWTYROFAU-UHFFFAOYSA-N 301.386 3.432 10 10 DGCE COc1cccc2[nH]cc(CCNCc3ccc4c(c3)CCO4)c12 180454012 BQORNRRZJYMTIF-UHFFFAOYSA-N 322.408 3.444 10 10 DGCE Cc1ccc(O)c([C@H](C)NCC[C@H]2C(=O)Nc3ccccc32)c1 185878003 GIGJCYNMJHDDFG-DZGCQCFKSA-N 310.397 3.477 10 10 DGCE CC(C)c1cccc(N(C)C(=O)c2cnoc2-c2cnn(C)c2)c1 188763243 JYTWNSPCWRIZHC-UHFFFAOYSA-N 324.384 3.475 10 10 DGCE CO[C@@H](C)c1nc(=NCc2c(C)c3ccccc3n2C)s[nH]1 337944659 ZYKOWFWKCKDXSF-NSHDSACASA-N 316.430 3.080 10 10 DGCE CCCN(CC(F)F)c1ccc(CN)cc1Br 386034550 KAAWLYVJAMUZQL-UHFFFAOYSA-N 307.182 3.389 10 10 DGCE Cc1nc(C)c(CNCc2ccc(Br)cc2O)o1 691460993 DIKBZYVSKMBHNT-UHFFFAOYSA-N 311.179 3.049 10 10 DGCE C[C@H]1CN(Cc2cc(Br)ccc2O)CC[C@@H](C)O1 694863507 ANAYFNCDGUZQFW-MNOVXSKESA-N 314.223 3.154 10 10 DGCE CC(C)C[C@@H](N)[C@H](N)c1ccc(OCc2ccccc2)cc1O 713839719 PJQLCYOFKHNJFE-IEBWSBKVSA-N 314.429 3.344 10 10 DGCE Cc1ccc(/C=C\C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cn1 775402140 BNRUUKQNGDMRON-XCHKQJEOSA-N 309.413 3.347 10 10 DGCE COc1ccc(CNC(=O)NCC[C@H]2CCC[C@H](C)C2)c(O)c1 792944717 DNFYCULPTLBORV-UONOGXRCSA-N 320.433 3.416 10 10 DGCE COc1cc(O)c(CN2CC[C@@H](C(F)(F)F)[C@H]2C)cc1OC 793232574 YUPALNDFGJAHJW-MWLCHTKSSA-N 319.323 3.182 10 10 DGCE Cc1cc(CN2[C@H]3CC[C@H]2[C@@H](CO)C3)c(O)c(C(C)(C)C)c1 811795035 DBQFEPKEHQRBFX-VYDXJSESSA-N 303.446 3.343 10 10 DGCE CN(Cc1cncc(C(F)(F)F)c1)c1ccc2c(c1)OCO2 812831527 VXZBDQXMNXIXSV-UHFFFAOYSA-N 310.275 3.466 10 10 DGCE CO[C@@H]1[C@H]2C[C@@H]3CN(C/C=C/c4ccc(N(C)C)cc4)[C@@H]1[C@H]3C2 835053133 SVMHQLDIRDEQFM-JDLZTQOXSA-N 312.457 3.121 10 10 DGCE Cc1cc(C(=O)NC[C@@H]2C[C@H]2C2CC2)c(C)n1-c1ccccn1 837114395 MVCIMFUJNVEQSJ-RDJZCZTQSA-N 309.413 3.265 10 10 DGCE COc1ccc(N2CC[C@@H](Nc3nc(C)c(C)s3)C2)cc1 853758921 MYKPRGHZAMRSAI-CYBMUJFWSA-N 303.431 3.459 10 10 DGCE Cc1cc(CNC(=O)N[C@@H](C)CF)c(C)n1-c1ccccc1 858486213 LOFVSKOIFFQKFF-LBPRGKRZSA-N 303.381 3.251 10 10 DGCE CCN(C)c1ccc(CN2[C@H](C)CC(C(=O)O)C[C@H]2C)cc1 863476328 AHHOLXQNJPTZPB-ZIAGYGMSSA-N 304.434 3.216 10 10 DGCE C[C@@H]1C[C@@H](C(=O)NCc2ccc(N3CCCCC3)cc2)[C@@H](C)O1 865030629 BCAZJRRYDAHIJU-IIDMSEBBSA-N 316.445 3.107 10 10 DGCE COc1cccc([C@H](C)N[C@@H](C2CCC2)[C@@H]2CCOC2)c1O 866513113 RMRFDZGQLKTSMK-QEORTHHSSA-N 305.418 3.257 10 10 DGCE Oc1cccc2c1[C@H](NCCOC(F)(F)C(F)(F)F)CC2 872110491 JMEBOEOUFUXTEA-SECBINFHSA-N 311.250 3.141 10 10 DGCE Oc1ccccc1CN(CCc1ccns1)C[C@@H]1CCCO1 929970726 KMYGDRADSTUWEY-HNNXBMFYSA-N 318.442 3.072 10 10 DGCE Cc1cc(CC(=O)NN2CCCCC2)c(C)n1-c1ccccc1 1138017015 ZCNROOUBEDDOGH-UHFFFAOYSA-N 311.429 3.154 10 10 DGCE CCCCCc1cc(C(=O)N[C@@H](C)c2ccccc2O)n[nH]1 1151900217 LYWNLADLJLSDPA-LBPRGKRZSA-N 301.390 3.339 10 10 DGCE CC[C@@H](C)C(=O)NCC1(NCc2ccc(OC)c(C)c2)CCC1 1280469369 ZMHKUFLPTZJGSE-CQSZACIVSA-N 318.461 3.178 10 10 DGCE COc1cc(N(C)Cc2ccoc2C)c([N+](=O)[O-])cc1OC 1458138704 DOXRKHNRMWOFNX-UHFFFAOYSA-N 306.318 3.150 10 10 DGCE Cc1cnccc1CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 1464055827 FNRIFAXPJDQADF-UHFFFAOYSA-N 323.440 3.190 10 10 DGCE CN(Cc1ccc(Cl)s1)C(=O)c1c(F)ccc(O)c1O 1472475953 BVQUOCZNISXCHS-UHFFFAOYSA-N 315.753 3.224 10 10 DGCE CCOc1ccc(N(CC2CC2)C[C@@H](O)C(F)(F)F)cc1 1473718633 TVMQRSXPKFRNDS-CQSZACIVSA-N 303.324 3.225 10 10 DGCE C[C@@H](NC(=O)NCC[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccccc1O 1478885127 DXSJVLFHLPPXQZ-CBBWQLFWSA-N 300.402 3.355 10 10 DGCE COc1ccc(CN[C@H](CNC(=O)CC(C)C)C2CC2)cc1C 1480001041 ZCIUXSXMTQFQJS-QGZVFWFLSA-N 318.461 3.034 10 10 DGCE Cc1cc(Cl)c(C(=O)NCc2ccccc2O)cc1[N+](=O)[O-] 1566374192 XYPKSPFJZQTJGW-UHFFFAOYSA-N 320.732 3.192 10 10 DGCE CC(C)[C@H]1CC[C@@H](C)C[C@H]1CNC(=O)Cc1ccc(O)c(O)c1 1583966289 JMOVFQFVOWTXSX-VNQPRFMTSA-N 319.445 3.465 10 10 DGCE CCO[C@@H]1[C@H](C)[C@H]1C(=O)N(C)Cc1ccc(N(CC)CC)cc1 1587460246 RNKISBNMJPIIKM-ZTFGCOKTSA-N 318.461 3.162 10 10 DGCE O=C(NCc1cccc(Cl)c1O)NC1Cc2ccccc2C1 1634049698 NVVXLSNXEOKGMI-UHFFFAOYSA-N 316.788 3.012 10 10 DGCE O=C(NCc1cc(O)ccc1O)[C@@H]1CCC[C@H]1c1ccccc1 1637125999 JXODZZYEPXKULR-DLBZAZTESA-N 311.381 3.298 10 10 DGCE CCOC(=O)[C@H](C)N(C)Cc1ccc(N2CCCCC2)c(C)c1 1656445212 FWLHSTXHSGROQF-INIZCTEOSA-N 318.461 3.369 10 10 DGCE O=C(NCc1c(O)cccc1F)NC[C@@H]1CC2CCC1CC2 1686863620 RSQHKDAKYHIQCH-BPCQOVAHSA-N 306.381 3.157 10 10 DGCE C[C@@H]1[C@@H](CNCc2ccc(Br)cc2O)C1(F)F 1947959213 GEHUGIBEMYHIEC-GMSGAONNSA-N 306.150 3.146 10 10 DGCE Cc1cccc(N)c1N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C 1959358630 CYIHDCCRRDLOPB-GXTWGEPZSA-N 305.422 3.387 10 10 DGCE CC[C@](C)(NC(=O)OC(C)(C)C)[C@@H](O)c1ccc(N(C)C)cc1 1977938774 LCQQKMPJOLHGJG-YJBOKZPZSA-N 322.449 3.479 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)C2Oc1ccc(N)cc1 1992453751 BERATISJJBNHTA-OCZCAGDBSA-N 318.417 3.293 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1C[C@@H]([C@H](F)[C@@H](N)c2ccccc2O)C1 1992605360 LOCCVPQTFAVTJM-JLUCKKNBSA-N 324.396 3.033 10 10 DGCE Cc1ccc(CNC2(CNC(=O)OC(C)(C)C)CCC2)c(O)c1 1994457406 AHEKVHNSGWOBPJ-UHFFFAOYSA-N 320.433 3.238 10 10 DGCE Cc1cc(Br)ccc1[C@H](NN)c1ccccc1O 2029543319 IAUDKCUOJQQHMB-AWEZNQCLSA-N 307.191 3.016 10 10 DGCE Oc1cc(Br)ccc1CNc1cnn(C2CC2)c1 2035764719 LARQNHQYILPMFL-UHFFFAOYSA-N 308.179 3.298 10 10 DGCE CCC[C@@H](COC)N(C)c1ccc(CO)cc1Br 2047304284 MCWCIQOCNHFQCA-LBPRGKRZSA-N 316.239 3.193 10 10 DGCE CCCOC1(CNCc2c(O)cccc2Br)CC1 2047782472 VTVFOXZLRUFZLA-UHFFFAOYSA-N 314.223 3.204 10 10 DGCE CNCc1cc(C2CCC2)nn1[C@H](C)c1c(O)cccc1OC 2070036529 XDJILJNVMPXYIZ-GFCCVEGCSA-N 315.417 3.194 10 10 DGCE CCN1CCc2cc([C@H](N)c3coc(Br)c3)ccc21 2106793117 KJNPSRGUFMJGAM-HNNXBMFYSA-N 321.218 3.473 10 10 DGCE CO[C@H]1CN([C@H](C)c2ccc(Cl)cc2O)CC(F)(F)C1 2203339072 KMRMAPREBBAYTJ-MWLCHTKSSA-N 305.752 3.463 10 10 DGCE [N-]=[N+]=NC[C@H]1CCN(Cc2ncsc2Br)C1 2210633504 CIARBFPMLVRECA-SSDOTTSWSA-N 302.201 3.038 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)c2c(F)ccc(Cl)c2F)C1 2234928915 QIYKRYJVFWMOCK-ZETCQYMHSA-N 300.696 3.391 10 10 DGCE C[C@@H](O)c1ccc(N(C)CC[C@H]2CCO2)c(Br)c1 2264016402 UIJJKLGCYGUTRT-PWSUYJOCSA-N 314.223 3.118 10 10 DGCE CSc1ncc(CNc2ccc(F)cc2C(N)=S)s1 2269220596 MOPAPMHEGANKMA-UHFFFAOYSA-N 313.448 3.250 10 10 DGCE C[C@@H](c1ccc(Cl)cc1O)N1CCO[C@@H](P(C)(C)=O)C1 2289225360 JYZNGWHEQSKQSY-HZMBPMFUSA-N 317.753 3.388 10 10 DGCE CCCNCc1ccc(N2CCSC2)cc1Br 2303471634 NTPQSCUJQWGBQI-UHFFFAOYSA-N 315.280 3.459 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)Nc1cccc(Cl)c1O 2308006169 YOKJPHPLORXAQF-UHFFFAOYSA-N 305.717 3.109 10 10 DGCE CCC1=NN(c2ccc(OC)cc2)C(=O)C1=Cc1cccnc1 2332128711 UPHCUFVETUZMSX-UHFFFAOYSA-N 307.353 3.286 10 10 DGCE CC(C)NCc1ccc(N2CCOC[C@H](F)C2)c(Cl)c1 2361809698 ZFIJGVSAQUKHFB-CYBMUJFWSA-N 300.805 3.013 10 10 DGCE CCc1cnn(CCNCc2cc(Cl)cc(Cl)c2O)c1 2372531866 OBRBBSVKKAYRLI-UHFFFAOYSA-N 314.216 3.248 10 10 DGCE Cc1ccc(NC(=O)[C@H](C)Sc2nccs2)cc1[N+](=O)[O-] 52914312 QPDPAGDEOZSOEK-VIFPVBQESA-N 323.399 3.479 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H](N)c1cc(C(C)(C)C)ccc1O 309812534 NEQWCPOBPDMGDL-CYBMUJFWSA-N 308.422 3.214 10 10 DGCE COc1cccc(CNC(=O)[C@H]2C[C@@H]2C2CCCCC2)c1O 175930421 HQQVSIPPFSCIFS-CABCVRRESA-N 303.402 3.233 10 10 DGCE CC(C)N(Cc1ccccc1)[C@H](CN)c1ccc(O)cc1O 32066769 MAIXGKWPGJJYBM-QGZVFWFLSA-N 300.402 3.008 10 10 DGCE CC[C@@H]1[C@H](C)CCN1c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] 302468626 WEVLMXIXGDZQPI-JDQXGDOCSA-N 318.373 3.406 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)CCc1cccc(F)c1 78231402 VSUJQPIQMGSEFO-UHFFFAOYSA-N 314.404 3.483 10 10 DGCE CCN(CC)c1ccc(CN2CCC[C@H]2Cn2ccnc2)cc1 188400002 MWAHAWUXBNXBLJ-IBGZPJMESA-N 312.461 3.394 10 10 DGCE Nc1ccc(OCCC(=O)OCc2ccccc2Cl)cc1 41087364 SRFJGVCORPYESQ-UHFFFAOYSA-N 305.761 3.435 10 10 DGCE Cc1nc(NCCc2ccc(N)cc2)ccc1Br 235948400 VETFRUDDANTDQK-UHFFFAOYSA-N 306.207 3.389 10 10 DGCE O=C(O)[C@H]1CCCCCC[C@H]1NCc1ccc2c(c1)CCO2 277281564 MAVLENHVAUTZKT-JKSUJKDBSA-N 303.402 3.135 10 10 DGCE C[C@H](NCCc1cnn(C)c1)c1cccc(C(F)(F)F)c1O 815562236 ADLYFFPUEIKDSU-JTQLQIEISA-N 313.323 3.038 10 10 DGCE COC(=O)c1cnc(SCCSC(F)(F)F)s1 917777725 KVBQDXGVQSOSAJ-UHFFFAOYSA-N 303.352 3.275 10 10 DGCE C[C@H](NCc1ccc2c(c1)CCCN2C)c1cc2n(n1)CCCC2 842835964 JUJLIYCWLUOWAE-HNNXBMFYSA-N 324.472 3.453 10 10 DGCE COc1ccc(N2CC[C@H](N[C@@H](C)[C@@H]3C[C@H]3C3CC3)C2)cc1 858187367 TXSHRAYYRZDCNO-BMIPRAEKSA-N 300.446 3.298 10 10 DGCE CC[C@H](NCc1nccc(OC)c1F)c1ccc(F)cc1O 850536729 MZVHHEXHDIQLEY-LBPRGKRZSA-N 308.328 3.315 10 10 DGCE COC(=O)c1ccc(O)c([C@@H](C)NC[C@@]2(C)C[C@@H]3C[C@@H]3C2)c1 858536430 HTKJUGKNQZEIBH-GNTLTTKYSA-N 303.402 3.266 10 10 DGCE O=C(NCc1c(O)cccc1F)[C@@H]1SCCc2sccc21 928705488 KNHFKRAXZWFFBI-CQSZACIVSA-N 323.414 3.240 10 10 DGCE COc1cc(CN2C[C@H]3COC[C@]3(C)C2)c(O)c(C(C)(C)C)c1 853566321 NXMCCOMSQLQGPH-LIRRHRJNSA-N 319.445 3.167 10 10 DGCE C[C@H](NC(=O)N[C@H]1c2ccccc2O[C@@H]1C)c1ccccc1O 868617240 ABRYQBFRDBEBNI-XWCIJXRUSA-N 312.369 3.275 10 10 DGCE COC[C@@H](CC(C)(C)C)NC(=O)N[C@@H](C)c1ccccc1O 868752531 POCJLYRQPXXYOS-QWHCGFSZSA-N 308.422 3.204 10 10 DGCE Cc1cc([C@@H](C)NC(=O)/C=C/c2ccc(O)c(O)c2)ccc1F 779527578 GWTHPJJSDLEMAR-WNPFHQFXSA-N 315.344 3.436 10 10 DGCE CC1(C)SC[C@H]1NCc1ccc(Br)cc1O 691485492 AUQXZXLVJRDNBI-LLVKDONJSA-N 302.237 3.138 10 10 DGCE CCOC1CC(CNCc2cccc(Br)c2O)C1 877479829 YXTONIGBLXXMFX-UHFFFAOYSA-N 314.223 3.059 10 10 DGCE COC(C)(C)CN(C)Cc1cc(C)cc(Br)c1O 781909022 OCIUNCVHYLSYPN-UHFFFAOYSA-N 316.239 3.320 10 10 DGCE COC(C)(C)C[C@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 896678351 AOEGKKBYSNTEOT-VIFPVBQESA-N 323.414 3.246 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H](C2CCCCC2)C1 1301408884 YTPPMLJKNQIOKL-INIZCTEOSA-N 317.429 3.459 10 10 DGCE O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CC[C@H]2C[C@H]2C1 1329237119 RUACACGICQCSBH-YESZJQIVSA-N 311.429 3.051 10 10 DGCE CSC(C)(C)CN(C)c1ccc(CN)c(Br)c1 713932541 LBVCVJUOSLUFQC-UHFFFAOYSA-N 317.296 3.486 10 10 DGCE Cc1c(C(=O)N2Cc3cccc(O)c3C2)cnn1C1CCCC1 1335796905 SQWPCZNXRUWHKJ-UHFFFAOYSA-N 311.385 3.168 10 10 DGCE C[C@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)CC[C@@H](C)O1 1333723864 ZGCDCUDEGZCTEK-OLZOCXBDSA-N 307.434 3.395 10 10 DGCE COc1ccc(CNC[C@@H](C)NC(=O)C[C@@H](C)C2CC2)cc1C 1268674734 YOUWEHOGOOOVEO-UKRRQHHQSA-N 318.461 3.034 10 10 DGCE FC(F)C[C@H]1COCCN1Cc1ccc(N2CCCC2)cc1 1347178911 LLGGKZPDGPWNET-INIZCTEOSA-N 310.388 3.143 10 10 DGCE CC(C)(C(=O)NCc1c(O)ccc2c1CCCC2)C(F)(F)F 1346450000 ITCZOKFDXMCIRW-UHFFFAOYSA-N 315.335 3.476 10 10 DGCE CO[C@]1(CN[C@@H]2C[C@H](C)c3c(C)ccc(O)c32)CCSC1 1350636498 PPBBRLGHFGBJLF-AHIWAGSCSA-N 307.459 3.361 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 1453646946 DPLNCWCWBWNDHK-UHFFFAOYSA-N 320.732 3.192 10 10 DGCE CC[C@@H](C)NCc1ccc(N(CC)CCO)c(OC(C)C)c1 212129004 FKMBZDHALJFVPJ-OAHLLOKOSA-N 308.466 3.181 10 10 DGCE COc1ccc(CN[C@@H](C)CN(C)C(=O)CC2CCC2)cc1C 1700743562 IXENETOLYFXCBQ-HNNXBMFYSA-N 318.461 3.130 10 10 DGCE C[C@@H](CCc1ccco1)NC(=O)c1ccc(N=NC(N)=O)cc1 1624367523 KKVDDUBGIDKSHX-NSHDSACASA-N 314.345 3.193 10 10 DGCE C[C@H](CC(=O)NCc1c(O)cccc1F)c1ccc(F)cc1 1635360290 IAGIYSDTSWUHNA-LLVKDONJSA-N 305.324 3.480 10 10 DGCE C/C(=C\c1ccccc1)CN(C)C(=O)c1c(F)ccc(O)c1O 1648710771 QJZXOAUEKXPISG-ZRDIBKRKSA-N 315.344 3.412 10 10 DGCE COC(=O)c1cnc(Sc2nc3cnccc3s2)s1 2126232540 SNSUKOPDLPPNRS-UHFFFAOYSA-N 309.397 3.086 10 10 DGCE N=C(N)c1ccc(Sc2nccs2)c(Br)c1 169214982 UPNDABDJRKHURE-UHFFFAOYSA-N 314.233 3.341 10 10 DGCE CC[C@@H]1CN(c2ccc(CNC)c(C(F)(F)F)c2)CCO1 167358269 HAPJBWCLMVQXSB-CYBMUJFWSA-N 302.340 3.040 10 10 DGCE C[C@H](N)c1ccc(N(C)[C@H]2CCO[C@H]2C)c(Br)c1 159720148 ZSPCVNMAFNBCTQ-KWBADKCTSA-N 313.239 3.082 10 10 DGCE C[C@@H](NC(=O)c1ccc(Br)cn1)c1ccccc1O 1643738471 CEFKPVNJFBXDKT-SECBINFHSA-N 321.174 3.041 10 10 DGCE [N-]=[N+]=N[C@H]1CCN(C(=O)COc2ccc(Cl)c(Cl)c2)C1 1912201252 RMEVGKFVZKVSCO-QMMMGPOBSA-N 315.160 3.283 10 10 DGCE C[C@@H](N[C@H](CCO)COCc1ccccc1)c1ccccc1O 1902794069 FJQCUWPPCDWOSL-NVXWUHKLSA-N 315.413 3.011 10 10 DGCE CN(C[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2)c1ccc(CO)c(Br)c1 2134495778 CEMXZNMQVMCSMA-RSQMQNDGSA-N 322.246 3.280 10 10 DGCE CNCc1ccc(N(Cc2ccccc2)CC(C)(C)O)c(C)c1 1915407311 MYOATNNRSKUFJT-UHFFFAOYSA-N 312.457 3.492 10 10 DGCE COc1cccc(CNC[C@@H](C)N(C)Cc2ccccc2)c1O 111389491 MOZZSULCNXBMJY-OAHLLOKOSA-N 314.429 3.011 10 10 DGCE CN1CC[C@@H](NCc2cc(Cl)cc(Cl)c2O)CC12CC2 1974260509 JLNQHDCURSMMJH-GFCCVEGCSA-N 315.244 3.415 10 10 DGCE CC[C@H]1CN(C(=O)OC(C)(C)C)CCCN1c1ccc(N)cc1 1977941827 FWMWVWUMTWFPCK-HNNXBMFYSA-N 319.449 3.495 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(c3ccc(N)cc3)C[C@@H]21 1977969917 HAQFSXTXNBCRMV-VBNZEHGJSA-N 317.433 3.008 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@H]2Nc1ccccc1N 1978676914 NFFOOSQEUKCZFS-NOXHYTERSA-N 317.433 3.373 10 10 DGCE CNCc1cc(F)c(N2CCC=C(Br)C2)c(F)c1 404389682 HGKJPRZXSNUSJP-UHFFFAOYSA-N 317.177 3.173 10 10 DGCE CNCc1cc(C2CCC2)nn1[C@@H](C)c1ccc(OC)cc1O 2070025287 JZTLNMAOPYADAJ-LBPRGKRZSA-N 315.417 3.194 10 10 DGCE C[C@H](N)c1ccc(N(C)Cc2cocn2)c(Br)c1 2042269384 AGTBQEQECBBTSF-VIFPVBQESA-N 310.195 3.093 10 10 DGCE NCc1ccc(N2[C@H]3CC[C@H]2CC(F)C3)c(Br)c1 2072029942 SSDVFGDKXYISEN-RYUDHWBXSA-N 313.214 3.377 10 10 DGCE NCc1ccc(N2CCC[C@@H]2C(F)(F)F)c(Br)c1 2083833506 AKLXYECTWVEUSZ-LLVKDONJSA-N 323.156 3.439 10 10 DGCE Cc1cc(CO)ccc1N1C[C@](C)(Br)[C@](C)(F)C1 2084854879 FGEVGHFULNBVEY-UONOGXRCSA-N 316.214 3.189 10 10 DGCE CNCc1ccc(N2CCC[C@@H]2c2nncs2)c(Cl)c1 2204721067 FXMJBEMDSCEYMM-CYBMUJFWSA-N 308.838 3.252 10 10 DGCE CSc1ncc(CNCc2ccc3c(c2)COCC3)s1 2208722612 FVHCQIJUZCJWEU-UHFFFAOYSA-N 306.456 3.228 10 10 DGCE C[C@@H](NCc1conc1Br)c1cc(F)ccc1O 2222852835 ZTPYWOROOMMFMP-SSDOTTSWSA-N 315.142 3.133 10 10 DGCE CN(c1ccc(CO)cc1Br)[C@@H]1CC2C[C@@H]3C1[C@@H]3C2 2264479192 TZRJAQQTGHIQAQ-DRIQLJMLSA-N 322.246 3.422 10 10 DGCE COCCC1(NCc2ccc(C)c(Br)c2O)CC1 2327630588 KQWCNXSTPXPURI-UHFFFAOYSA-N 314.223 3.122 10 10 DGCE COc1cc2c(cc1OC)N(CCO)CC1(CCCCCC1)N2 75280794 JBCFVYIQGJEELH-UHFFFAOYSA-N 320.433 3.021 10 10 DGCE C[C@@H](NCc1ccccc1O)c1cnn(Cc2ccccc2)c1 155151685 QXMZTVACQIINRS-OAHLLOKOSA-N 307.397 3.488 10 10 DGCE Nc1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1 160365850 NSFJOQVDCGCQHC-UHFFFAOYSA-N 312.329 3.004 10 10 DGCE CCN(CC)c1ccc(CNC[C@](C)(O)c2ccc(C)o2)cc1 174494035 OMHPDGORRMITQH-IBGZPJMESA-N 316.445 3.432 10 10 DGCE COCc1ccsc1C(=O)N[C@@H](C)c1cc(OC)ccc1O 182507550 DOAQZFFKFJAEDA-JTQLQIEISA-N 321.398 3.100 10 10 DGCE Cc1cccc(N2CCC(N[C@H](C)c3ccccc3O)CC2)n1 183518016 JXHDCIQBRTVJHA-OAHLLOKOSA-N 311.429 3.415 10 10 DGCE CN(CCNCc1cc(Cl)ccc1O)Cc1ccccc1 237152787 VVGWEHLIQNXICH-UHFFFAOYSA-N 304.821 3.267 10 10 DGCE Cc1cc(Cl)cc(CNC[C@@H](O)c2ccc(F)cc2)c1O 278804272 YATJOSYNMRTAAD-OAHLLOKOSA-N 309.768 3.316 10 10 DGCE CC(C)CCCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 294277021 BHFKATYNMKGUGI-UHFFFAOYSA-N 322.424 3.105 10 10 DGCE COc1ccc(O)c([C@@H](C)NC[C@H](O)c2ccc(F)cc2C)c1 305786127 XYXVISDKLVFZEY-XIKOKIGWSA-N 319.376 3.233 10 10 DGCE C[C@H](c1cc(Cl)ccc1O)N1CC[S@@](=O)C(C)(C)CC1 322112140 LLPZQVXFQJZDEG-BIBXISHDSA-N 315.866 3.340 10 10 DGCE CCCC[C@@H]1OC(=O)N[C@@H]1c1ccc(Br)cc1O 575256045 WMQIGDONCNWPNA-NWDGAFQWSA-N 314.179 3.494 10 10 DGCE C[C@@H](NCc1cc(Br)ccc1O)c1cscn1 697935121 IKINGCNWOSKJPR-MRVPVSSYSA-N 313.220 3.462 10 10 DGCE C[C@@H](c1cc(Cl)ccc1O)N1CCO[C@H](C(F)(F)F)C1 698967220 FEXGNBPTSQQGGE-UFBFGSQYSA-N 309.715 3.370 10 10 DGCE NCc1ccc(N2Cc3cccc(Br)c3C2)cc1 713261153 SMWPIBKUJAJDNT-UHFFFAOYSA-N 303.203 3.428 10 10 DGCE C[C@@H](NCc1ccc(Br)cc1O)c1ccns1 715965288 JDDMRKLRPOZXLH-MRVPVSSYSA-N 313.220 3.462 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)NCCOCC1CCC1 765890856 GCUWCFWBDXYARO-UHFFFAOYSA-N 320.433 3.131 10 10 DGCE CC[S@@](=O)CCN[C@@H](C)c1cc(Cl)c(Cl)cc1O 774181040 DPCBIJGKXHQPQR-DCXZOGHSSA-N 310.246 3.118 10 10 DGCE COC(=O)CN(Cc1cc(Cl)cc(C)c1O)C1CCCC1 775725776 NSXPOEWVBXISSB-UHFFFAOYSA-N 311.809 3.272 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N(C)CCCN(C)C)cc1 775817087 AIPZNTOACZWBAY-UHFFFAOYSA-N 313.445 3.118 10 10 DGCE COc1cc(C)cc(CN2CCC[C@@H]2C2CCOCC2)c1O 776778948 YWPQORAVVHDMJN-MRXNPFEDSA-N 305.418 3.100 10 10 DGCE CN1CN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1=O 779350608 MGSAALWUBQLGRQ-UHFFFAOYSA-N 323.356 3.365 10 10 DGCE COc1ccc(N(C)CCCC(=O)OC(C)(C)C)cc1OC 784139970 ZTGCFVSSTYADSQ-UHFFFAOYSA-N 309.406 3.262 10 10 DGCE COCCN(Cc1cc(C)ccc1O)Cc1scnc1C 787308996 HANBTOPCSHBTBQ-UHFFFAOYSA-N 306.431 3.114 10 10 DGCE CO[C@@H](C)c1nsc(N[C@@H](C)c2ccc(N(C)C)cc2)n1 800864765 PXZGLEBXCYQSED-QWRGUYRKSA-N 306.435 3.485 10 10 DGCE CCCCN(Cc1ccccc1O)Cc1cnc(OC)nc1C 801596335 VNQSAMSHDQXFHL-UHFFFAOYSA-N 315.417 3.302 10 10 DGCE C[C@H]1CO[C@H](C(F)(F)F)CN1Cc1cc(Cl)ccc1O 809696752 QCUXRVBXXHLMBX-UFBFGSQYSA-N 309.715 3.197 10 10 DGCE Oc1ccc(Cl)cc1CN1CC(O)(c2ccc(Cl)cc2)C1 811509521 STMQEGASCNFRKE-UHFFFAOYSA-N 324.207 3.402 10 10 DGCE CCN(C)c1ccc(CN2C[C@@H](C(F)(F)F)OC[C@@H]2C)cc1 815116188 DDQWDQBAIANEMN-WFASDCNBSA-N 316.367 3.294 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@]3(C2)CC3(F)F)cc1 824245985 GAAQARKUWJXDNQ-AWEZNQCLSA-N 322.315 3.110 10 10 DGCE Oc1cc(Br)ccc1CN1CCCSCC1 825450656 KCWFZKOFKGGWQR-UHFFFAOYSA-N 302.237 3.094 10 10 DGCE CN(C)c1ccc(/C=C/CNCCCOCC(F)(F)F)cc1 835034740 AWLCZOBJGVDJLI-HWKANZROSA-N 316.367 3.324 10 10 DGCE Cc1cc(N(C)C)ccc1[C@@H]1NC2(CC2)C(=O)N1c1ccccc1 840828882 SHPSJXVKUCOOSO-GOSISDBHSA-N 321.424 3.229 10 10 DGCE CCO[C@@H]1C[C@@H](N[C@H](C)c2cc(F)cc(F)c2O)[C@@H]1SC 842923911 MBZGPXNCBAKOGJ-QFKGGZDISA-N 317.401 3.230 10 10 DGCE C[C@H](N[C@H](C1CC1)[C@@H]1CCCCO1)c1cc([N+](=O)[O-])ccc1O 848558894 PMCIJMZQBHBMIT-MZPVMMEZSA-N 320.389 3.299 10 10 DGCE COC[C@H](CCN[C@@H](C)c1cc(Cl)c(Cl)cc1O)OC 850485374 GOWMLXSDYWSEOU-UWVGGRQHSA-N 322.232 3.401 10 10 DGCE CC1(C)CC[C@@H]1C(=O)NCc1cc(Br)ccc1O 854442735 VXHMYWZXGNVCRP-LLVKDONJSA-N 312.207 3.207 10 10 DGCE CN(C)c1cc(F)c(CNC[C@H]2C(C)(C)C2(F)F)cc1F 858191956 CQWRQIBEBOOHLV-ZDUSSCGKSA-N 304.331 3.412 10 10 DGCE O=C(NCc1ccc(O)c(O)c1)[C@@H]1CC[C@@H](c2ccccc2)C1 860243484 OBWZMZHKRVUZOB-HZPDHXFCSA-N 311.381 3.298 10 10 DGCE Oc1ccc([C@@H]2CCN(Cc3cc(F)cc(F)c3O)C2)cc1 895413455 DSHXXLPAOLHZHA-GFCCVEGCSA-N 305.324 3.366 10 10 DGCE Cc1ccc([C@@H](C)NC[C@@]2(OC(C)C)CCOC2)c(O)c1C 903356356 CAHGGJOTURQJPG-QAPCUYQASA-N 307.434 3.244 10 10 DGCE COC(=O)c1cnc(SC[C@H]2CCC3(CCC3)CO2)s1 917778387 RFSTUSBJIFLOSV-SNVBAGLBSA-N 313.444 3.371 10 10 DGCE C[C@@H](CCCC(F)(F)F)NC(=O)NCc1c(O)cccc1F 922189027 IYCDDQTWHNEIAG-VIFPVBQESA-N 322.302 3.452 10 10 DGCE CN(C)c1ccc(CNC[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1F 922458520 QNYMICSREFTABS-FZMZJTMJSA-N 320.330 3.091 10 10 DGCE Cc1ccc([C@@H](C)NC[C@]2(C(F)(F)F)CCCN2)c(O)c1 925852756 GHNPVBVFGCRJIM-RISCZKNCSA-N 302.340 3.036 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCCC[C@@H]2N)cc1 1118287437 ZLMAPVQOIUNTHB-ROUUACIJSA-N 317.477 3.009 10 10 DGCE Cc1cc(C)n(CCC(=O)NCc2c(O)ccc3ccccc23)n1 1157037727 WUEYSHLBWMBDSW-UHFFFAOYSA-N 323.396 3.065 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1cncc2[nH]ccc12 1157051296 QKFYNUOWGKJTOC-UHFFFAOYSA-N 317.348 3.352 10 10 DGCE COc1ccc(N(C)CCN(C)Cc2cc(C)cc(C)n2)cc1 1195787778 DBWUIIIJZUJANX-UHFFFAOYSA-N 313.445 3.275 10 10 DGCE CSc1ccc(CNC(=O)N2Cc3cccc(O)c3C2)cc1 1312524721 CKUVVSUJIMECOJ-UHFFFAOYSA-N 314.410 3.340 10 10 DGCE c1coc([C@H]2COCCN2Cc2ccc(N3CCCC3)cc2)c1 1319949680 BURJIDAOPAKKIW-GOSISDBHSA-N 312.413 3.453 10 10 DGCE Cc1c(F)cccc1C(=O)NCc1ccc(N(C)C)c(F)c1 1357192021 HSJAXHQGHZSVNT-UHFFFAOYSA-N 304.340 3.269 10 10 DGCE C[C@H](NC(=O)C[C@@H]1Cc2ccccc2O1)c1ccc(N(C)C)cc1 1435954431 XNEMHYQWDOHKBS-KSSFIOAISA-N 324.424 3.324 10 10 DGCE Cc1cc(CNC(=O)[C@@H](O)C(C)(C)C)c(C)n1-c1ccccc1 1454627033 SHUKXGNHCASIMM-QGZVFWFLSA-N 314.429 3.117 10 10 DGCE CC(C)Oc1cccc(C(=O)NCc2cccc(Cl)c2O)n1 1457036386 MMHMCDPWBLMBAM-UHFFFAOYSA-N 320.776 3.158 10 10 DGCE Cc1ccc(O)c(CNC(=O)COc2cccc(Cl)c2C)c1 1470254860 MEEQATBTYSTVJC-UHFFFAOYSA-N 319.788 3.358 10 10 DGCE COc1ccc(N(C)C(=O)/C=C\c2cccnc2C)c(OC)c1 1519543872 QCBFUINFHAZQEL-YFHOEESVSA-N 312.369 3.083 10 10 DGCE Cc1ccc2c(CC(=O)NCc3c(O)cccc3O)coc2c1 1558534627 TYNGFYBVJLAWTL-UHFFFAOYSA-N 311.337 3.011 10 10 DGCE CC(C)(CC(=O)NCc1c(O)cccc1O)CC(F)(F)F 1558536162 VEFLIZIIXYFLGL-UHFFFAOYSA-N 305.296 3.083 10 10 DGCE COc1ccc2c(c1)CCCCN2CCNC(=O)OC(C)(C)C 1559659139 BJQXDDWWWBGXPE-UHFFFAOYSA-N 320.433 3.363 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)/C=C\c1ccc(C=O)cc1 1628793481 LJTNGUWUWMLARU-RAXLEYEMSA-N 322.408 3.237 10 10 DGCE CCC(C)(C)C(=O)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1628954676 PBXJUPLJLPLZFP-UHFFFAOYSA-N 316.445 3.251 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)[C@H]1CCc2cccc(O)c21 1632228214 MPUPJQBRTJYDLA-ZDUSSCGKSA-N 317.772 3.097 10 10 DGCE CC[S@@](=O)c1ccccc1C(=O)N[C@@H](C)c1ccccc1O 1632250043 JCCZWLQJIXBUMI-AMXDTQDGSA-N 317.410 3.011 10 10 DGCE C[C@H](NC(=O)Cc1cccc2ncccc12)c1ccccc1O 1632254734 GHBZQRCAOYOERR-ZDUSSCGKSA-N 306.365 3.360 10 10 DGCE O=C(/C=C/c1ccc(Cl)cc1)NCc1cccc(O)c1O 1633515532 FGHNIKBTLIEEFG-RMKNXTFCSA-N 303.745 3.081 10 10 DGCE CCCCC(=O)NCC1CC(NCc2ccc(OC)c(C)c2)C1 1692332520 XPHKESYPCOKNTJ-UHFFFAOYSA-N 318.461 3.178 10 10 DGCE [N-]=[N+]=N[C@@H]1CCN(C(=O)c2cccc(F)c2Br)C1 1912144045 NUCAIUTTZSUBRG-SSDOTTSWSA-N 313.130 3.113 10 10 DGCE O=C(O)C=Cc1ccc(N2CC(F)(F)C2)cc1Br 1917019295 CKNSNWHZRHBJOU-UHFFFAOYSA-N 318.117 3.002 10 10 DGCE Cc1cc(O)c([C@@H]2[C@@H](N)CCN2C(=O)OC(C)(C)C)cc1C 1953003543 YJPDOEWRKNVHRK-DZGCQCFKSA-N 306.406 3.018 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H](Nc3ccc(N)cc3)[C@@H]21 1959365689 ICMDARUUXDYNTQ-RBSFLKMASA-N 303.406 3.079 10 10 DGCE Cc1cccc(N)c1N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C 1959369978 JHCWMXYVSCWBGD-JSGCOSHPSA-N 305.422 3.245 10 10 DGCE CC[C@@](C)(CNC(=O)OC(C)(C)C)N(C)c1ccc(N)cc1 1959561374 WUJFHASNTFYPPM-KRWDZBQOSA-N 307.438 3.398 10 10 DGCE CN(C)c1ccc([C@H](N)C(C)(C)NC(=O)OC(C)(C)C)cc1 1959563234 YPVCZEVIKOLEEB-AWEZNQCLSA-N 307.438 3.056 10 10 DGCE CC(C)C[C@H](CO)CNCc1cc(Cl)cc(Cl)c1O 1962902239 FSIXYGWODASTTC-JTQLQIEISA-N 306.233 3.443 10 10 DGCE Oc1cc(F)ccc1CNC[C@H]1CCCN1Cc1ccccc1 1964572153 KVAFLCKULRNIRJ-GOSISDBHSA-N 314.404 3.286 10 10 DGCE CCC1(NCc2c(O)cccc2F)CN(C(=O)OC(C)(C)C)C1 1976861214 SWKOLLJESVPRQF-UHFFFAOYSA-N 324.396 3.020 10 10 DGCE CC[C@H](C[C@@H](O)c1ccc(N(C)C)cc1)NC(=O)OC(C)(C)C 1977937889 FJKMKOVABMKAOP-GDBMZVCRSA-N 322.449 3.479 10 10 DGCE CN(C)c1ccc([C@H](O)C2(N(C)C(=O)OC(C)(C)C)CC2)cc1 1977939800 SJRCISIOVATHMD-HNNXBMFYSA-N 320.433 3.186 10 10 DGCE C[C@H](CCCN(C)C(=O)OC(C)(C)C)NCc1ccc(N)cc1 1980084017 DFNJDGSKBBFOIZ-CQSZACIVSA-N 321.465 3.394 10 10 DGCE CC(C)(C)OC(=O)N1CC2(CCCN(CCCCN=[N+]=[N-])C2)C1 1982245158 CGCVQTOHZGVWLJ-UHFFFAOYSA-N 323.441 3.410 10 10 DGCE Oc1cc(Br)ccc1CN1CCCC[C@@H]1CF 2004478667 YNCDNUKNNXHXFI-GFCCVEGCSA-N 302.187 3.479 10 10 DGCE O=[N+]([O-])c1ccc(O)c(Cn2ncc(C3CCC3)c2Cl)c1 2070222557 UPXTVPSWWNSJEI-UHFFFAOYSA-N 307.737 3.466 10 10 DGCE CN(c1ccc(CO)cc1Br)[C@H]1C2C[C@@H]3C1[C@@H]3C2 2070843574 JNCWCQKWPOMOSL-KUHGFHKHSA-N 308.219 3.032 10 10 DGCE Cc1cnc(Br)c(CN2CCC[C@@H]2CN=[N+]=[N-])c1 2085943594 BDIZFXOMRQVNOU-LLVKDONJSA-N 310.199 3.427 10 10 DGCE CN[C@H](c1ccc2c(c1)CCCN2C)c1ncc(Cl)s1 2164077045 AHWHSYBSKGITKN-CQSZACIVSA-N 307.850 3.488 10 10 DGCE Oc1cccc(Cl)c1CNCc1cc(C(F)(F)F)on1 2192908560 NXCWUKJTEAHPRC-UHFFFAOYSA-N 306.671 3.342 10 10 DGCE CCn1nc(C)c(CNC2CCC2)c1Sc1nccs1 2281304286 UVKXNDQAFNKBLR-UHFFFAOYSA-N 308.476 3.461 10 10 DGCE CN(C)c1ccc2cc(NC(=O)C=Cc3cccnc3)ccc2n1 2297399429 LPZZHPOPPMSHHU-UHFFFAOYSA-N 318.380 3.348 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)NCc1cc2ccccc2o1 2307986148 BEEYGILUQCAMLM-UHFFFAOYSA-N 309.321 3.174 10 10 DGCE COc1ccccc1N1CCN(N=Nc2ccc(O)cc2)CC1 2330146522 RPNJRYFVGSQJBH-UHFFFAOYSA-N 312.373 3.222 10 10 DGCE Cc1ccc(CNCCc2cccnc2)c(O)c1Br 2352676755 SLQCOHUHTCYDGK-UHFFFAOYSA-N 321.218 3.190 10 10 DGCE Cc1ccc(CNc2c(C)ncnc2C)c(O)c1Br 2352678659 HYGYSZUEPAGBPK-UHFFFAOYSA-N 322.206 3.482 10 10 DGCE CN[C@@H](C)c1ccc(N2C[C@H](OC)C[C@@H]2CF)cc1Cl 2357026602 WABFFFFBTOHFHI-CYZMBNFOSA-N 300.805 3.184 10 10 DGCE CC(=O)Nc1cccc(-c2nccn2Cc2ccccc2O)c1 82735707 FSHOIPKFVJELIM-UHFFFAOYSA-N 307.353 3.262 10 10 DGCE CN(CC(=O)Nc1ccccc1)Cc1cc(Cl)ccc1O 91901891 QKIAUUABSYGZIN-UHFFFAOYSA-N 304.777 3.116 10 10 DGCE COc1ccc(CN(C)Cc2cc([N+](=O)[O-])ccc2O)cc1C 170917341 AUZSOMGAFUFXJZ-UHFFFAOYSA-N 316.357 3.249 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CCCN(Cc2cc(F)ccc2O)C1 179934661 NXXHGTHJOFBLGB-AWEZNQCLSA-N 324.396 3.020 10 10 DGCE Cc1noc([C@@H](N[C@@H](C)c2ccc(F)c(F)c2O)C(C)C)n1 187719200 CVULRCXGQKKWER-SDBXPKJASA-N 311.332 3.410 10 10 DGCE COCc1noc(CNc2ccccc2C(=O)c2ccccc2)n1 192589051 TZOKQTLURXCKLU-UHFFFAOYSA-N 323.352 3.059 10 10 DGCE C[C@H](N[C@@H](C)c1cc(Br)ccc1O)c1cn[nH]c1 273353074 CEGHOFKGGTZVBZ-IUCAKERBSA-N 310.195 3.290 10 10 DGCE CC[C@H](NCCNC(=O)c1ccccc1)c1ccc(F)cc1O 286328566 XVBHTDOHZBHHHK-INIZCTEOSA-N 316.376 3.002 10 10 DGCE CCN(Cc1ccccc1)C(=O)c1ccn(-c2ccc(N)cc2)n1 301138790 ZJGPWUPIFDEINL-UHFFFAOYSA-N 320.396 3.117 10 10 DGCE CC(C)[C@H]1C[C@H](NCc2cc(Br)ccc2O)CO1 691487929 MMBZEMVPUBYPSA-GXTWGEPZSA-N 314.223 3.058 10 10 DGCE Oc1ccc(Br)cc1CN[C@@H]1C[C@H]2[C@@H](C1)C2(F)F 693377291 CDMDFAMXWBLYMR-JGPRNRPPSA-N 318.161 3.288 10 10 DGCE CN(CCCCCCN)Cc1ccc(Br)cc1O 710797927 HZHVNLJGQKPLIJ-UHFFFAOYSA-N 315.255 3.106 10 10 DGCE Oc1c(Br)cc(Cl)cc1CN[C@@H]1CC12CC2 715296840 WMLWHRRSZJOOCC-SNVBAGLBSA-N 302.599 3.450 10 10 DGCE COc1cc(Cl)cc(CNCc2nc(C)c(C)s2)c1O 719618139 UCHGYWOEHDKZLF-UHFFFAOYSA-N 312.822 3.417 10 10 DGCE Cc1nn(C)c(C)c1CCN[C@@H]1C[C@@H](C)c2c(F)ccc(O)c21 756378452 DTIYFVQZWKAVLV-MEBBXXQBSA-N 317.408 3.262 10 10 DGCE Oc1cccc(Cl)c1CNc1cccc2c1OCC[C@H]2O 766083897 DKHIJRKEZGQMEH-OAHLLOKOSA-N 305.761 3.474 10 10 DGCE COc1ccc(N2CCN(C(=O)[C@H]3CCCC3(C)C)CC2)cc1 771866393 BZZZHHYZZRELBP-QGZVFWFLSA-N 316.445 3.170 10 10 DGCE c1csc(SCCCNc2ccc(N3CCCC3)nn2)n1 779430022 LWLPXFVMHARZMI-UHFFFAOYSA-N 321.475 3.128 10 10 DGCE CO[C@H](C)[C@H](C)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 786676893 KWEMXGZXFKEJHM-LSDHHAIUSA-N 300.402 3.247 10 10 DGCE CCc1cccc(CN2CCO[C@@H](CC(F)(F)F)C2)c1O 827786052 HAZSZINEFGGUJB-ZDUSSCGKSA-N 303.324 3.108 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCC([C@@H]3CCNC3)CC2)cc1 843127020 NXFXOVWBEVWKFW-ZRHASKPBSA-N 313.489 3.087 10 10 DGCE O=C(NCCC1(F)CCC1)NCc1cc(Cl)ccc1O 845199948 XBFUYQSWGPPDBP-UHFFFAOYSA-N 300.761 3.127 10 10 DGCE Oc1cccc(Cl)c1CNc1ccc([C@@H]2CNCCO2)cc1 849353062 XOWPLSITZGRILT-KRWDZBQOSA-N 318.804 3.319 10 10 DGCE CN(C)c1ccc(/C=C/CNCc2c(C3CC3)cnn2C)cc1 850379478 QLBKOAPVOMOXHT-SNAWJCMRSA-N 310.445 3.167 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@H](C)Cc3ccoc3)C2)cc1 850486477 HRLIMUHUDFUBTM-GDBMZVCRSA-N 300.402 3.088 10 10 DGCE C[C@H](NC(=O)N[C@H](C)c1cscn1)c1ccc(N(C)C)cc1 852261389 RCFQHZKWAPMMLA-NWDGAFQWSA-N 318.446 3.331 10 10 DGCE Oc1ccc2ccncc2c1CN1C[C@]23CCCC[C@]2(COC3)C1 853623539 RJXGPYYJAANIJS-BGYRXZFFSA-N 324.424 3.333 10 10 DGCE C/C=C/C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 862551698 XSTYHYYSCNQXEP-ITDFMYJTSA-N 320.389 3.487 10 10 DGCE C[C@H](NC[C@@H]1C[C@H]1C1CCOCC1)c1cc(F)cc(F)c1O 866538273 QAPIRWKRFLKUNT-WBIUFABUSA-N 311.372 3.384 10 10 DGCE O=C(CCC[C@H](O)c1ccccc1)N1Cc2cccc(O)c2C1 871204130 DBTRCXOFINNBSJ-KRWDZBQOSA-N 311.381 3.138 10 10 DGCE C[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)[C@H](C)[C@@H]1C 897989708 PORIVGVXTVYRMX-OPRDCNLKSA-N 305.399 3.429 10 10 DGCE COc1cccc([C@H](C)NC[C@@H]2CC[C@@H](C(F)(F)F)O2)c1O 903176421 OSKOACWASKDMMT-KWBADKCTSA-N 319.323 3.161 10 10 DGCE C[C@H](O)[C@H](NCc1ccc2c(c1)CCCO2)c1ccccc1F 922215337 GJAIIEWICXEGKX-DJJJIMSYSA-N 315.388 3.362 10 10 DGCE COc1ccc(CN[C@H](CCN(C)C)c2cccnc2)cc1C 922632800 WCUUJOPIIIEUDC-GOSISDBHSA-N 313.445 3.181 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)NC[C@@]23CCCC[C@@H]2C3)cc1 927432005 VDFBSNGCPPJEDW-WBMJQRKESA-N 300.362 3.159 10 10 DGCE COc1cccc(C(F)F)c1C(=O)NCc1ccccc1O 1137471733 YNYAJVMMFWYQPW-UHFFFAOYSA-N 307.296 3.268 10 10 DGCE Cc1noc2ncc(CN[C@H](C)c3ccc(N(C)C)cc3)cc12 1262188423 QHURPQMMIVIMDR-GFCCVEGCSA-N 310.401 3.448 10 10 DGCE C[C@H](NC(=O)C(C)(C)c1ccccn1)c1ccc(N(C)C)cc1 1296647798 CYFXHNMFPJPYQI-AWEZNQCLSA-N 311.429 3.303 10 10 DGCE CCN1CC[C@@H](N(C)Cc2ccc(N3CCCC3)cc2)[C@@H](C)C1 1319717059 KGKAYNOIMZDCOT-FXAWDEMLSA-N 315.505 3.449 10 10 DGCE CC(C)CN(Cc1ccccc1)C(=O)Cc1ccc(O)c(O)c1 1583717722 NORFNFLAPAFHAQ-UHFFFAOYSA-N 313.397 3.325 10 10 DGCE CN(Cc1ccco1)C(=O)c1cc2cc(O)c(O)cc2s1 1618031966 AHHKCEAOJGRFHG-UHFFFAOYSA-N 303.339 3.178 10 10 DGCE C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C(C)(C)c1ccccc1 1627842839 JQKUQHCNLXTWBO-CYBMUJFWSA-N 313.397 3.123 10 10 DGCE Cc1csc(CNC(=O)NCc2cc(Cl)ccc2O)c1 1635395076 ZNVBJEBLWFDJSE-UHFFFAOYSA-N 310.806 3.415 10 10 DGCE CCOc1c(F)cccc1C(=O)N[C@@H](C)c1ccccc1O 1635798908 HMQQFHODIVBNMM-NSHDSACASA-N 303.333 3.421 10 10 DGCE CCCN(Cc1ccccc1O)C[C@H]1CCC[C@@]2(CCOC2)O1 1641902228 KJIDDQHRPPSZIJ-MJGOQNOKSA-N 319.445 3.332 10 10 DGCE COCc1c(C(=O)N2Cc3cccc(O)c3C2)oc2ccccc12 1643169029 MUBJTMOBDUJZRL-UHFFFAOYSA-N 323.348 3.441 10 10 DGCE COc1ccc(CNC/C=C\CNC(=O)[C@H](C)C(C)C)cc1C 1669069327 GGMGTJQVRHCYRD-MWWKQMNYSA-N 318.461 3.058 10 10 DGCE CCN(CCc1ccc(N)cc1)[C@@H]1CCN(Cc2ccccc2)C1 1915071015 DAYMELOMMCLPMK-OAQYLSRUSA-N 323.484 3.408 10 10 DGCE CCCN(C[C@@H](NC)c1ccccc1O)C(=O)OC(C)(C)C 1928471043 SSVIMCXXJPQTEW-CQSZACIVSA-N 308.422 3.300 10 10 DGCE Cn1ncc(Br)c1NCc1ccc(Cl)cc1O 1949992011 IXABHDDSESRIOH-UHFFFAOYSA-N 316.586 3.154 10 10 DGCE CC(C)(C)OC(=O)N[C@@H](c1cccc(N)c1O)C(F)(F)F 1953030880 IAXVGKXBPKYEPJ-JTQLQIEISA-N 306.284 3.103 10 10 DGCE C[C@@]1(CNCc2cc(Br)ccc2O)CCCOC1 1962990439 YLVQTVQYPRGLSD-AWEZNQCLSA-N 314.223 3.061 10 10 DGCE CP(C)(=O)[C@H]1CC[C@H](NCc2cc(F)cc(F)c2O)C1 1973922385 BJUUEGUQMCABDD-RYUDHWBXSA-N 303.289 3.304 10 10 DGCE CC(C)(C)OC(=O)NC[C@](C)(O)c1ccc(N2CCCC2)cc1 1977935257 OFYSFSHRWJESSQ-SFHVURJKSA-N 320.433 3.019 10 10 DGCE C[C@@H](C[C@H](N)c1ccc(N(C)C)cc1)N(C)C(=O)OC(C)(C)C 1977944776 JPBPBEHGUYULRH-BBRMVZONSA-N 321.465 3.398 10 10 DGCE Nc1ccc(N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1 1978011494 MFQHJRXDUFXOHN-HXUWFJFHSA-N 307.441 3.371 10 10 DGCE NCc1ccc(N2CCC(=CBr)C2)c(Cl)c1 1981332738 JIGLIOXUFWNWSD-UHFFFAOYSA-N 301.615 3.288 10 10 DGCE C[C@@H](CO)N(Cc1ccccc1)c1ccc2c(c1)CCC[C@@H]2N 1986601959 ZDOPLLOOOLYTGW-YWZLYKJASA-N 310.441 3.410 10 10 DGCE CCCN(CCCO)c1ccc([C@H](C)O)cc1Br 2032097452 XLJQLSBTBGIXLE-NSHDSACASA-N 316.239 3.101 10 10 DGCE CNCc1ccc(N2C[C@H]3CC=CC[C@H]32)cc1Br 2057023741 YJIVEWSBOWLAEL-IUODEOHRSA-N 307.235 3.323 10 10 DGCE COc1ccc([C@H](C)n2nc(CC(C)C)cc2C(=O)O)c(O)c1 2069882650 XSDQGUDSKOIAID-NSHDSACASA-N 318.373 3.103 10 10 DGCE CC(C)Cc1cc(CN(C)C)n(Cc2cccc(F)c2O)n1 2070200285 QRDLPIHCESWGMP-UHFFFAOYSA-N 305.397 3.036 10 10 DGCE CN(c1ccc(CO)c(Br)c1)[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2 2070849556 RZPHCLSVHTWWAA-OEOBOFROSA-N 308.219 3.032 10 10 DGCE CN(CC[C@@H]1CC1(F)F)c1ccc(CN)c(Br)c1 2075411863 ASFMGISQQJFJBN-SNVBAGLBSA-N 319.193 3.389 10 10 DGCE C[C@@H](N)c1cc(F)c(N(C)CC2(Br)CC2)c(F)c1 2076248053 NYNXBZRCHMKXNS-MRVPVSSYSA-N 319.193 3.348 10 10 DGCE CCc1nn(Cc2ccc(C)cc2O)c(C(F)F)c1C(=O)OC 2078852824 FQENODUTILLNIO-UHFFFAOYSA-N 324.327 3.232 10 10 DGCE Cc1cccc(O)c1Cn1nc(C2CC2)c(C(F)(F)F)c1N 2079798736 JVZILHMHTCPRIS-UHFFFAOYSA-N 311.307 3.424 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCC[C@H]2NCC[C@@H]21 2087391037 ZEWAXQASFWJBLO-OLZOCXBDSA-N 301.217 3.025 10 10 DGCE COc1ccc(CNc2cnc(C)c(Br)c2)c(O)c1 2092456489 YSAHYGLWTWOGFP-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE CCN[C@@](CCCSc1nccs1)(C(=O)OC)C(C)C 2144125256 IOLAZPOWIQPCKF-CQSZACIVSA-N 316.492 3.193 10 10 DGCE Cc1cccc(CNCc2cnc(C(F)(F)F)s2)c1O 2196685909 WVZQPPBBRRMECY-UHFFFAOYSA-N 302.321 3.466 10 10 DGCE CCOC(=O)[C@H](NCCN=[N+]=[N-])c1cc2sccc2s1 2205532061 XIFFWFFBBYUPKN-LLVKDONJSA-N 310.404 3.467 10 10 DGCE CC[C@H](C)C[C@@](CSc1nccs1)(NC(C)C)C(=O)O 2207913631 BTWLSAQWWYABFD-FZMZJTMJSA-N 316.492 3.493 10 10 DGCE COc1ccc(Br)c(CN2CC[C@H](C)[C@H]2C)c1O 2220484062 YLYILLTYMMFWEY-VHSXEESVSA-N 314.223 3.394 10 10 DGCE Oc1ccc(Br)cc1CN[C@H]1CC2C[C@@H]3C1[C@@H]3C2 2253527217 LODTUMWCTSGJLH-JYVZDMQKSA-N 308.219 3.289 10 10 DGCE CC1=NNC(=O)C1=Cc1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1 2296820118 XKLLZIVCZOZFFL-UHFFFAOYSA-N 311.297 3.052 10 10 DGCE CC(C)c1nnc(NC(=O)C=Cc2ccc(N(C)C)cc2)s1 2314836078 ANZXZUFAZFVFPZ-UHFFFAOYSA-N 316.430 3.379 10 10 DGCE CC[C@H](C)N1C(=O)C(=Cc2ccc(O)c(OC)c2)SC1=S 2323675601 BGIWYTCZJAVBNY-VIFPVBQESA-N 323.439 3.401 10 10 DGCE CCC(O)(CC)CNCc1ccc(C)c(Br)c1O 2327799153 QUFPBBWQFTYTAU-UHFFFAOYSA-N 316.239 3.104 10 10 DGCE CN(c1ccc(CN)c(Br)c1)[C@@H]1C[C@@H]2C[C@H]1[C@H]1C[C@H]21 2330298792 IPAANTUIOIJFNU-UKTSDXOISA-N 321.262 3.389 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCN[C@H]2CCC[C@H]21 2341942386 MIEMKBBUJFTJMC-QWHCGFSZSA-N 301.217 3.025 10 10 DGCE CN(C)c1ccc(/C=C\C2=NC(=O)N[C@@H](C(F)(F)F)C2)cc1 33880683 MCTPGXXTYUSHQW-ACVFHECNSA-N 311.307 3.251 10 10 DGCE Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(N)cc2)c1C 36283776 IHGPKJNGTGXHBU-UHFFFAOYSA-N 304.415 3.303 10 10 DGCE CC(C)n1nccc1NC(=O)N(C)Cc1ccc(N(C)C)cc1 43451613 CTIWAJNTRBQVNL-UHFFFAOYSA-N 315.421 3.194 10 10 DGCE C[C@H]1CCC[C@@H](S(=O)(=O)CCCOc2ccc(N)cc2)C1 54692113 FTOFGAKKLGWGQH-XJKSGUPXSA-N 311.447 3.031 10 10 DGCE C[C@@H]1C[C@@H]1Cn1c(-c2ccccc2)cnc1SCC(=O)O 159833952 RSMLBKUFOXIAKT-DGCLKSJQSA-N 302.399 3.383 10 10 DGCE CCOc1cc(CNC(C)C)ccc1N1C[C@@H](C)O[C@H](C)C1 212715149 XCQMPIAXCUQVCR-HUUCEWRRSA-N 306.450 3.197 10 10 DGCE CCN(CC)c1ccc(CN(C)[C@H]2CCN(C)[C@@H](C)C2)cc1 245718244 HMGFFUAQGIHZGW-LPHOPBHVSA-N 303.494 3.447 10 10 DGCE CCN(CC)c1ccc(CN(C)[C@@H]2CCN(C)[C@@H](C)C2)cc1 245718249 HMGFFUAQGIHZGW-QFBILLFUSA-N 303.494 3.447 10 10 DGCE Cc1cc(/C=C\C(=O)N[C@@H]2CCOC2)c(C)n1-c1ccccc1 255294318 VWKFZTPLQWVRRA-XZVRFQMRSA-N 310.397 3.012 10 10 DGCE CCOc1ccc(O)c(CNc2ccc(C(=O)N(C)C)cc2)c1 284205830 BWZBYQFPSIRUOI-UHFFFAOYSA-N 314.385 3.105 10 10 DGCE C[C@H](N[C@H]1CCc2cccc(O)c21)c1ccc(-n2cncn2)cc1 295853417 GDMBUCVADJVLIH-GUYCJALGSA-N 320.396 3.311 10 10 DGCE CS[C@@H]1CCN(c2ccc([C@@H](C)N)c(Br)c2)C1 382957110 NHZOCRLCXJZMGG-MWLCHTKSSA-N 315.280 3.411 10 10 DGCE C[C@@H](COCc1ccccc1)N[C@@H](C)c1cc(O)ccc1O 390553023 DZCBDSRIWZKUDS-KBPBESRZSA-N 301.386 3.354 10 10 DGCE Nc1ccc(C[C@H](O)Cc2cc(F)cc(Br)c2)cc1 696581218 AILZEQCVQMYXAY-HNNXBMFYSA-N 324.193 3.317 10 10 DGCE CCCC[C@@H](N)[C@@H](N)c1ccc(OCc2ccccc2)cc1O 713724493 IDALCZYQOVJMNW-MJGOQNOKSA-N 314.429 3.489 10 10 DGCE Oc1ccc(Cl)cc1CNCCOC(F)(F)C(F)(F)F 720266832 CCFDPACBIPBWRA-UHFFFAOYSA-N 319.657 3.307 10 10 DGCE O=C(NCc1ccccc1O)[C@H]1C[C@@H]1c1cc(F)ccc1F 743326724 HTGUCGRJFKRRHG-OCCSQVGLSA-N 303.308 3.090 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)OCCc1ccc(F)c(F)c1 759595715 LJAGXKPCUHZROS-UTCJRWHESA-N 320.291 3.175 10 10 DGCE CN(Cc1ccc(Cl)cc1)Cc1cc2c(cc1O)OC[C@H]2O 768439051 YVTPZGPBKCAVSP-MRXNPFEDSA-N 319.788 3.103 10 10 DGCE CC1(C)CCCC[C@@H]1C(=O)OCC(=O)c1ccc(O)c(O)c1 789063406 DMZFSNMFDCBGIA-GFCCVEGCSA-N 306.358 3.040 10 10 DGCE Cc1cc(C)c([C@@H](C)NC[C@@H]2COc3ccccc3O2)c(O)c1 815553894 MQJJTCRALZYAJX-HUUCEWRRSA-N 313.397 3.500 10 10 DGCE Cc1cc(CN2CCC[C@H](O)[C@@H]2C)ccc1N1CCCCC1 831260154 QAORDMRBGNCTTQ-LPHOPBHVSA-N 302.462 3.331 10 10 DGCE CC[C@H](N[C@H](C)c1ccc(N2CCCCCC2)cc1)C(=O)NC 834909763 ATGNGCNLOXEEJI-QAPCUYQASA-N 317.477 3.242 10 10 DGCE C[C@H](CC(F)(F)F)C(=O)NCc1ccc(N2CCCC2)cc1 837342352 SKVGEIXHAJVXPO-GFCCVEGCSA-N 314.351 3.492 10 10 DGCE Cc1ccc(C(=O)N2CC3(CC=CC3)[C@H]2C(C)C)c(O)c1O 844096610 OWTWOHYLCLOYNM-MRXNPFEDSA-N 301.386 3.223 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1OCc2ccccc21 847304489 SGKXMHJELXROFK-LJQANCHMSA-N 324.424 3.373 10 10 DGCE CC[C@H](NC[C@H](OC)[C@H]1CCOC1)c1cccc(Cl)c1O 850485213 ZAZKYQOSPFDZAO-CQDKDKBSSA-N 313.825 3.138 10 10 DGCE C[C@H](NC(=O)NCCC[C@@H]1CCCCO1)c1ccccc1O 868501258 HDGRTJAYSSAPAU-KBPBESRZSA-N 306.406 3.102 10 10 DGCE CO[C@H](CCNCc1ccc2c(c1)CCCO2)C(F)(F)F 922042520 UWBSDOOVSRCBCX-CQSZACIVSA-N 303.324 3.069 10 10 DGCE C[C@H](NC(=O)[C@]1(C)C=CCC1)c1ccc(N2CCOCC2)cc1 930745222 UCNWTHDYUCEEHO-HNAYVOBHSA-N 314.429 3.057 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CC[C@H]2NCCC[C@H]2C1 1237384430 WSGOFQFLNHYSMB-IINYFYTJSA-N 315.244 3.273 10 10 DGCE CN(C(=O)c1cc2cc(O)c(O)cc2s1)c1nccs1 1292941076 XXTSJUKGDJZTTR-UHFFFAOYSA-N 306.368 3.046 10 10 DGCE CC[C@@H](CNC(=O)[C@H](C)C1CC1)NCc1ccc(OC)c(C)c1 1494960220 IGYJCGCOTHZJEC-PBHICJAKSA-N 318.461 3.034 10 10 DGCE CCCCC1(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 1532106068 QDPQRFSDUXJURU-OAHLLOKOSA-N 316.445 3.361 10 10 DGCE CCc1ccc(C(C)(C)NC(=O)Cc2ccc(O)c(O)c2)cc1 1566216285 JFCFHDMWAJRAFB-UHFFFAOYSA-N 313.397 3.254 10 10 DGCE C[C@@H](CC(=O)NCc1cc(O)ccc1O)c1ccc(F)cc1 1593873284 NLKWDFCPCFZIDW-NSHDSACASA-N 303.333 3.047 10 10 DGCE CCCC[C@@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 1627464618 PCVZWPLLLMKOJS-QAPCUYQASA-N 319.493 3.298 10 10 DGCE CSc1ccc(Cl)c(C(=O)NCc2ccc(O)cc2O)c1 1630301530 DWRAPCKTDWAPQA-UHFFFAOYSA-N 323.801 3.403 10 10 DGCE O=C(CCCc1ccccc1Cl)NCc1c(O)cccc1O 1635847890 VUTJATASLVQJRJ-UHFFFAOYSA-N 319.788 3.390 10 10 DGCE Cc1cc2ccccc2nc1C(=O)NCc1c(O)cccc1F 1638866750 LVIFTQMFJIDCNM-UHFFFAOYSA-N 310.328 3.318 10 10 DGCE COC(=O)c1cc(OC[C@@H]2CCC(C)(C)CO2)ccc1N(C)C 1644179038 MAKNHFQTCNWVBD-AWEZNQCLSA-N 321.417 3.123 10 10 DGCE CCOC(=O)c1cc(CN(C)c2ccc(OC(C)C)cc2)on1 1654139285 HLRANDZUGGMIHG-UHFFFAOYSA-N 318.373 3.275 10 10 DGCE CN(C)[C@H](CCNCc1ccc(Cl)cc1O)C(F)(F)F 1665623739 NLGDKHAZGUOXLT-GFCCVEGCSA-N 310.747 3.018 10 10 DGCE CCC1(CC)[C@@H](NC(=O)N2Cc3cccc(O)c3C2)C[C@H]1OC 1680882287 KTLGIZXBYZZHOG-JKSUJKDBSA-N 318.417 3.011 10 10 DGCE C[C@@H]1C[C@@H](C)CN(C(=O)CCNCc2cc(Cl)ccc2O)C1 1857865152 XZVFBBHIEAHPSZ-CHWSQXEVSA-N 324.852 3.030 10 10 DGCE c1ccc(COc2ccc(N3C[C@H]4CCNC[C@@H]4C3)cc2)cc1 1899883709 PIZWLXXQRSSQBC-QZTJIDSGSA-N 308.425 3.311 10 10 DGCE CN[C@H](c1ccc(Br)c(C)n1)c1ccccc1O 1924885802 LVXKWWIMFPHJNY-AWEZNQCLSA-N 307.191 3.167 10 10 DGCE COc1ccc(CNc2csnc2Br)c(O)c1 1926859028 QKXOAWQGOVBQPT-UHFFFAOYSA-N 315.192 3.232 10 10 DGCE CCC[C@@H](C[C@H](N)c1ccccc1O)NC(=O)OC(C)(C)C 1928469463 IJSIADFZUUAFLO-JSGCOSHPSA-N 308.422 3.476 10 10 DGCE CN[C@H](C[C@H]1CCN1C(=O)OC(C)(C)C)c1ccccc1O 1960445576 LLDUKNBXGIDYOO-TZMCWYRMSA-N 306.406 3.052 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]2CCC[C@H]2N1CCN=[N+]=[N-] 1962301801 WTGVSEWWFAXKEK-RWMBFGLXSA-N 309.414 3.064 10 10 DGCE CCN(CC)c1ccc([C@@H](N)[C@H](C)NC(=O)OC(C)(C)C)cc1 1977944511 GVWVKTAVOAXDHD-BBRMVZONSA-N 321.465 3.446 10 10 DGCE CN(C)Cc1cnn(-c2ccc(O)c(O)c2)c1CC1CCCC1 2069760072 OLACMZREBLQITN-UHFFFAOYSA-N 315.417 3.078 10 10 DGCE CCc1nn(Cc2cc(F)ccc2O)c(C(F)(F)F)c1C=O 2078873037 SVVBFIIHYPGGPG-UHFFFAOYSA-N 316.254 3.170 10 10 DGCE Nc1c(C2CC2)nn(Cc2c(O)cccc2F)c1C(F)(F)F 2079124038 GMQSWKYDPJMSCH-UHFFFAOYSA-N 315.270 3.255 10 10 DGCE CCNCc1ccc(N(C)Cc2cnco2)cc1Br 2105610141 DKZGJCZHXNXYRD-UHFFFAOYSA-N 324.222 3.183 10 10 DGCE CN(C[C@H]1C2C[C@@H]3C1[C@@H]3C2)c1ccc(CN)c(Br)c1 2134491761 WIRVMUZTQGBEEJ-JRFBXIJQSA-N 321.262 3.246 10 10 DGCE CCN[C@H](C)c1ccc(N2C[C@H](F)[C@H](OC)C2)cc1Cl 2146468672 BKQAYRFHMKJCHV-WKPIXPDZSA-N 300.805 3.184 10 10 DGCE CN(CCCCN=[N+]=[N-])[C@@H]1CN(C(=O)OC(C)(C)C)CC12CC2 2244524168 CEPAKUDGDQIYMX-CYBMUJFWSA-N 323.441 3.408 10 10 DGCE CCCN(C[C@H](C)O)c1ccc([C@@H](C)O)c(Br)c1 2259764715 TXKIMLSGXRZRBD-WDEREUQCSA-N 316.239 3.100 10 10 DGCE NCc1ccc(N2C[C@@H]3C[C@H](C(F)(F)F)[C@@H]3C2)c(Cl)c1 2281172208 DMIDZWBXYFFRBM-AXFHLTTASA-N 304.743 3.433 10 10 DGCE COc1cc(F)c(NC(=O)C=Cc2ccc(O)c(O)c2)cc1F 2308002371 YNEUHDBPHXRXNU-UHFFFAOYSA-N 321.279 3.037 10 10 DGCE Cc1ccc(CN(C)Cc2cnco2)c(O)c1Br 2327616078 QWVMCZVRPXDCAO-UHFFFAOYSA-N 311.179 3.083 10 10 DGCE Cc1ccc(CNC(=O)C2CC3(CC3)C2)c(O)c1Br 2352641923 YXIFFGOJAURSCB-UHFFFAOYSA-N 324.218 3.270 10 10 DGCE Nc1nn(-c2ccccc2)c(N)c1/N=N\c1ccc([N+](=O)[O-])cc1 107915251 LIQASILHUMARQX-HNENSFHCSA-N 323.316 3.360 10 10 DGCE C[C@H](NCc1ccc(CN(C)C)cc1)c1cc(F)ccc1O 184895782 KQGSIXNNMISSLD-ZDUSSCGKSA-N 302.393 3.444 10 10 DGCE CC(C)[C@@H]1CN(c2ccc(OC(F)(F)F)cc2)[C@@H](C)CN1 86151591 BXOMLGRXNOUEGD-FZMZJTMJSA-N 302.340 3.408 10 10 DGCE Oc1c(Br)cc(Br)cc1[C@H]1CCCN1 238709789 NKWHYXACQPMVDT-SECBINFHSA-N 321.012 3.342 10 10 DGCE CN(CCOCC1CC1)c1ccc(CN)c(C(F)(F)F)c1 94983671 FBPRNLDCEYODAY-UHFFFAOYSA-N 302.340 3.027 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3OCCC[C@H]32)cc1 251778420 LGOXCASXBUHXBG-OTWHNJEPSA-N 324.424 3.391 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2C(=O)c1coc(C(F)F)c1 625915945 FHERKJJIHCGQNC-UHFFFAOYSA-N 322.311 3.322 10 10 DGCE CCOc1ccc(O)c(CN2CC[C@H](Cc3ccncc3)C2)c1 370718260 BCJJZTLQKBVVPD-MRXNPFEDSA-N 312.413 3.251 10 10 DGCE C[C@@H]1CO[C@H](C(F)(F)F)CN1Cc1ccc(N(C)C)c(F)c1 809697292 ZCXLJHQXNGIZCD-YGRLFVJLSA-N 320.330 3.043 10 10 DGCE CCc1nc(C)cc(NCc2cc(Br)ccc2O)n1 804828326 NIHNRWCFYWRNCL-UHFFFAOYSA-N 322.206 3.428 10 10 DGCE CN(C(=O)/C=C/c1cn(C)c2ccccc12)c1ncccc1F 131119732 FKTHPFQIKHVKTE-MDZDMXLPSA-N 309.344 3.389 10 10 DGCE C[C@H](N[C@@H]1CCOC[C@@H]1C)c1cccc(C(F)(F)F)c1O 815621573 XPAPSGYRVDIIBG-OUJBWJOFSA-N 303.324 3.487 10 10 DGCE Cc1cc(Cl)cc(CN2CC(O)(c3ccccc3)C2)c1O 811509485 ZCCOOVWYKIIGJL-UHFFFAOYSA-N 303.789 3.057 10 10 DGCE C[C@@H](N[C@H]1CC12CC2)c1cc(Br)cc(F)c1O 818355895 KYMRFEMVHOXJFZ-HQJQHLMTSA-N 300.171 3.497 10 10 DGCE COc1ccc(CN[C@H](c2ccccc2F)[C@@H](C)O)cc1C 846017015 LDJNKGBKRSUKEJ-ACJLOTCBSA-N 303.377 3.354 10 10 DGCE CCOC(=O)c1cc(CSc2ncc(Cl)s2)on1 918095741 NODQSKMDKNGSJH-UHFFFAOYSA-N 304.780 3.254 10 10 DGCE C[C@@H](NCC1(O)Cc2ccccc2C1)c1ccc(Cl)cc1O 841753626 FLOSWRSVHMYNFR-GFCCVEGCSA-N 317.816 3.226 10 10 DGCE CCc1cccc(CN2CC[C@@H](Oc3ccc(C)cn3)C2)c1O 858015328 YYAADZJHHCXPGN-QGZVFWFLSA-N 312.413 3.311 10 10 DGCE COC[C@H](CN(Cc1ccccc1)c1ccc(OC)cc1)OC 851821449 SCIGMPWDRLSCSM-IBGZPJMESA-N 315.413 3.363 10 10 DGCE C[C@H](NC[C@@H]1Cc2ccccc2CO1)c1cc(F)cc(F)c1O 858453940 QXVATFBFFCOZAG-NHYWBVRUSA-N 319.351 3.463 10 10 DGCE CN(CCO[C@@H]1CCOC1)c1ccc(-c2nccs2)cc1 930710071 OFBYMBYQSRZWNY-OAHLLOKOSA-N 304.415 3.052 10 10 DGCE O=C(CCCc1ccc(F)c(F)c1)NCc1ccccc1O 755768564 OLAZCPWFJCNBPZ-UHFFFAOYSA-N 305.324 3.310 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC2CCC1CC2 769180955 VUFJFMQRTSCYBR-JFUPDXTOSA-N 315.461 3.473 10 10 DGCE CC[C@@H]1NCC[C@H]1N[C@H](C)c1cc(Cl)c(Cl)cc1O 863542019 DGLSPYLAHTYKNU-OXHMUOHRSA-N 303.233 3.490 10 10 DGCE C[C@H](NC(=O)NCCC[C@H]1CCCCO1)c1ccccc1O 868501260 HDGRTJAYSSAPAU-UONOGXRCSA-N 306.406 3.102 10 10 DGCE O=C(N[C@@H]1CCc2cc(F)ccc21)N1Cc2cccc(O)c2C1 875145521 NGIOMYVTIWIKFZ-MRXNPFEDSA-N 312.344 3.244 10 10 DGCE COc1ccc(C(=O)Nc2c(Cl)ccc3nonc23)c(F)c1 1128607490 RZEOODQPXSWZOX-UHFFFAOYSA-N 321.695 3.276 10 10 DGCE C[C@@](CCCCSc1nccs1)(NC1CC1)C(=O)O 45596410 YADYHKUIDUIOTJ-ZDUSSCGKSA-N 300.449 3.001 10 10 DGCE Cc1ccn(-c2ccc(C(=O)N[C@H](C)c3ccccc3O)cc2)n1 1151886034 RZWDRWZJABBOLK-CQSZACIVSA-N 321.380 3.377 10 10 DGCE OCCN1CC[C@H](CNc2ccc(Nc3ccccc3)cc2)C1 76470012 NYMQZJAVAICUTE-MRXNPFEDSA-N 311.429 3.156 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)NC[C@@]2(C)CC2(C)C)c1 1313225214 PCWNHKNVQVYOEZ-APPDUMDISA-N 306.406 3.197 10 10 DGCE C[C@H](N)c1ccc(N2CCCOC[C@H]2C)cc1Br 398912282 WMTAJRHRXKTZNM-MNOVXSKESA-N 313.239 3.084 10 10 DGCE Oc1cc(Br)ccc1CNOCCC(F)(F)F 691401683 JVRUINHZJLUYSP-UHFFFAOYSA-N 314.101 3.128 10 10 DGCE CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NCc1cccc(O)c1O 1349078507 HPIPAIHKDLOKJI-XPKDYRNWSA-N 321.417 3.088 10 10 DGCE COC(=O)c1coc(CN(CC2CC2)c2ccc(OC)cc2)c1 1460129064 LNGAQIXAGUWUAW-UHFFFAOYSA-N 315.369 3.491 10 10 DGCE COC(=O)COc1ccc(N(C)C[C@@H]2C[C@H]3CC[C@H]2C3)cc1 1473372637 BCVZUIITMMCVCN-KKUMJFAQSA-N 303.402 3.111 10 10 DGCE C[C@H]1C[C@H](c2ccccc2)N(C(=O)Cc2ccc(O)c(O)c2)C1 1556530035 YRXWMZHGBDIYTE-XJKSGUPXSA-N 311.381 3.250 10 10 DGCE CCCCC[C@H](O)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C 1638243613 JEJONXBOAZEMRK-YJBOKZPZSA-N 320.477 3.049 10 10 DGCE CC(C)(CNC(=O)Cc1ccc(O)c(O)c1)C1CCCCC1 1566472747 PDRWVWBPZFWDKZ-UHFFFAOYSA-N 305.418 3.363 10 10 DGCE CC(C)c1nc([C@@H]2CCCCN2C(=O)c2cc(O)cs2)no1 1634995594 ZJFVMHAMYYGQMG-NSHDSACASA-N 321.402 3.328 10 10 DGCE CCc1cccc(CNCc2c(O)cccc2Br)n1 2121945470 WNWJMXKTUVFRGF-UHFFFAOYSA-N 321.218 3.402 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2ccc3oc(S)nc3c2)c1 1633282859 OIUUIBFZAXSJCN-UHFFFAOYSA-N 314.366 3.061 10 10 DGCE O=C1C[C@H](C(=O)NCc2cc(Cl)ccc2O)c2ccccc21 1632223325 IELKTWKDQANSJS-AWEZNQCLSA-N 315.756 3.032 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2cccnc2C(F)(F)F)c1 1645800698 OYPQYYUXQBSOGL-UHFFFAOYSA-N 310.275 3.044 10 10 DGCE Cc1cc(Cl)ncc1NC(=O)c1ccc(N=NC(N)=O)cc1 1596119953 QAFOZXSJYWBPJS-UHFFFAOYSA-N 317.736 3.458 10 10 DGCE CCCN(CCC(=O)O)Cc1cc(Cl)cc(Cl)c1O 1964725029 TUMVJBHYDUIIMM-UHFFFAOYSA-N 306.189 3.386 10 10 DGCE CN(CCN1CCCC1)c1ccc(CNC2CC2)cc1Cl 164066756 IKQOEYFMGWVCEZ-UHFFFAOYSA-N 307.869 3.124 10 10 DGCE [N-]=[N+]=NC1CCN(C(=O)c2ccccc2Br)CC1 1912151538 IPYGCPVBQBYQRG-UHFFFAOYSA-N 309.167 3.364 10 10 DGCE [N-]=[N+]=NC1CN(C(=O)c2ccccc2OCc2ccccc2)C1 1912197414 SXGYQVJQZFIPCY-UHFFFAOYSA-N 308.341 3.400 10 10 DGCE COC(=O)[C@@](C)(NCCCN=[N+]=[N-])c1ccc(Cl)s1 1912165150 HCLXEXLVHYICRD-NSHDSACASA-N 302.787 3.080 10 10 DGCE Cc1cc(C(=O)N(C)CCN=[N+]=[N-])sc1Br 1912203441 QMYBYUJPFFTFMP-UHFFFAOYSA-N 303.185 3.201 10 10 DGCE Cc1cc(N2CC(N(C)Cc3ccccc3)C2)ccc1C[C@H](C)N 1914206193 DGHGNBJFVWOPDV-KRWDZBQOSA-N 323.484 3.205 10 10 DGCE CC(C)(C)OC(=O)NC1([C@@H](N)c2ccccc2O)CC=CC1 1923265920 IWMIHIPZWGTDRV-AWEZNQCLSA-N 304.390 3.006 10 10 DGCE CN(C)c1ccc([C@@H](N)[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)cc1 1977945043 LVRXSZBEDYYSRH-IIAWOOMASA-N 319.449 3.056 10 10 DGCE CC(C)(C)OC(=O)N1CC2(CC=CCN2c2ccc(N)cc2)C1 1977972076 WNILXNVWBQKBIT-UHFFFAOYSA-N 315.417 3.025 10 10 DGCE Cc1nc(Br)sc1CN(C)c1ccc(N)cc1 2011880454 UHRLDKWZDRDXAF-UHFFFAOYSA-N 312.236 3.433 10 10 DGCE O=S(=O)(Nc1ccc(O)cc1Cl)c1ccccc1Cl 85205174 ZHCAVKMVLOGWLT-UHFFFAOYSA-N 318.181 3.500 10 10 DGCE CCSC[C@@H](C)N(C)c1ccc(CN)cc1Br 706381575 PKKJZHQJTXBUKO-SNVBAGLBSA-N 317.296 3.486 10 10 DGCE CNCc1cc(F)c(N(C)C[C@@H]2CCCSC2)c(F)c1 718281551 GTRNCMUVTCUGEZ-NSHDSACASA-N 300.418 3.264 10 10 DGCE CCc1nn([C@H](c2ccc(C)cc2O)C(C)C)c(N)c1C=O 2079124243 IBJKIRNXLORHLA-INIZCTEOSA-N 301.390 3.100 10 10 DGCE Cc1cc(O)c([C@@H](C)n2nc(C(C)(C)C)c(CO)c2N)cc1C 2080021890 BUXXRPPUUZWFHI-GFCCVEGCSA-N 317.433 3.187 10 10 DGCE CCN[C@@]1(C(=O)O)C[C@H](Sc2nccs2)CC(C)(C)C1 2183528466 JIWGSZUQMCFKMO-YGRLFVJLSA-N 314.476 3.247 10 10 DGCE CN(C[C@@H]1[C@H]2CC[C@H]21)c1cc(Br)c(CN)cc1F 2041985513 DXDCNUSOBVPKIQ-URLYPYJESA-N 313.214 3.139 10 10 DGCE CN1CCc2cc([C@@H](N)c3cc(Br)co3)ccc21 2049662446 NZXQNECJMLAZNY-CQSZACIVSA-N 307.191 3.083 10 10 DGCE CO[C@@H](CN(C)Cc1cccc(Br)c1O)C(C)C 2068248712 HUQRUAPWMBXWPO-ZDUSSCGKSA-N 316.239 3.258 10 10 DGCE C[C@@H]1CCC[C@H]1CS(=O)(=O)Nc1ccc(O)cc1Cl 2093556310 CIBUYNMTZPSCCG-ZJUUUORDSA-N 303.811 3.224 10 10 DGCE CCN(C(=O)/C=C/c1cnc2ccccc2n1)c1ccncc1 117665517 QWTDUZSEUTWHRL-BQYQJAHWSA-N 304.353 3.091 10 10 DGCE COCCCCCCNCc1cc(Br)ccc1O 2221361874 ZJHTVRDYMOOFPI-UHFFFAOYSA-N 316.239 3.451 10 10 DGCE COc1ccc(N2CCC(Cl)=C(Cl)C2)c(CCN)c1 2227683727 YMXVOXJKUDZICK-UHFFFAOYSA-N 301.217 3.096 10 10 DGCE COc1ccccc1CC(C)=CC(=O)NCCc1ccc(N)cc1 2301693487 PPXVPGZIZYLHCM-UHFFFAOYSA-N 324.424 3.125 10 10 DGCE COc1cc(Cl)cc(CN[C@@H]2[C@@H]3[C@H]2CCC3(F)F)c1O 2355146267 MCCIEBGUSBLPRO-USWWRNFRSA-N 303.736 3.188 10 10 DGCE CC(C)(C)OC(=O)[C@@H]1CCN(Cc2cc3c(cc2O)CCC3)C1 176170051 TWUMMCAZPBRCLN-OAHLLOKOSA-N 317.429 3.045 10 10 DGCE Oc1cccc([C@@H](c2c[nH]c3ccccc23)n2ccnc2)c1O 71708817 ZKRSSEWKVNTSJZ-KRWDZBQOSA-N 305.337 3.413 10 10 DGCE CC(C)[C@@H]1CN(c2ccc(OC(F)(F)F)cc2)CCCN1 86269343 WSWVIAGFFOGCRK-AWEZNQCLSA-N 302.340 3.410 10 10 DGCE CC[C@@H](C)[C@@H]1CN(c2ccc(OC(F)(F)F)cc2)CCN1 86122591 WLRSEMGRLUXSNU-RISCZKNCSA-N 302.340 3.410 10 10 DGCE COc1ccc(Br)cc1NCc1ccc(O)c(O)c1 48439988 OPLYGEYAGVENFQ-UHFFFAOYSA-N 324.174 3.481 10 10 DGCE COc1ccc(O)c(CN[C@H](C)c2nc3ccccc3n2C)c1 91374565 SURULUZJBNSBKG-GFCCVEGCSA-N 311.385 3.138 10 10 DGCE NCc1ccc(N2CCC(OCc3ccccc3)CC2)c(F)c1 383894014 BZNDCOOWDRCOEL-UHFFFAOYSA-N 314.404 3.470 10 10 DGCE CCN(C(=O)c1ccoc1Br)c1ccc(N)cc1 233413875 GZALRANFYFSOQY-UHFFFAOYSA-N 309.163 3.291 10 10 DGCE Cc1cc(Cl)cc([C@@H](C)NC2CCC(C(N)=O)CC2)c1O 808707814 ZSJOVVIUEVATQO-XSRFYTQQSA-N 310.825 3.049 10 10 DGCE Cc1ccc(O)c([C@H]2NCCc3nc4ccc(Cl)cn4c32)c1 821242749 KNCRRCKCBCNEBI-MRXNPFEDSA-N 313.788 3.237 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2C[C@@H]3C[C@@H]3C2)cc1 824860170 QSQOHCHYSKHLDS-BJWYYQGGSA-N 315.461 3.473 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@H](CCO)Cc2ccccc2)cc1 835052634 POMASNLZMWJQDP-QKWWCAPFSA-N 324.468 3.349 10 10 DGCE CC[C@@H]1CCC[C@@]1(C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 907276181 ZTBKCDCYMNZBFK-WPKBUWHJSA-N 305.418 3.361 10 10 DGCE C/C=C\C[C@H](CO)N[C@H](C)c1ccc(Br)cc1O 588489773 VLFYEHOPFGMVLU-YZKQYGISSA-N 314.223 3.132 10 10 DGCE Cc1cc(Cl)cc(CNCc2nc(C(C)(C)C)n[nH]2)c1O 839170856 REYIHRYZJVNGGI-UHFFFAOYSA-N 308.813 3.059 10 10 DGCE Cc1sc(C)c(S(=O)(=O)N2Cc3cccc(O)c3C2)c1C 918883481 PCKPWARELVNJTK-UHFFFAOYSA-N 323.439 3.083 10 10 DGCE COc1ccc2c(c1)CCN2Cc1ccc([N+](=O)[O-])cc1F 747840861 XMPSRDUKLOQJGQ-UHFFFAOYSA-N 302.305 3.305 10 10 DGCE Cc1nc2c(s1)[C@H](NC(=O)Nc1ccc(N)cc1)CCC2 841296178 PYVPNRZFNYZQIA-CYBMUJFWSA-N 302.403 3.233 10 10 DGCE Cc1cc(O)c(CN[C@@H]2CCN(CC(F)(F)F)C2)c(Cl)c1 840887280 VJOUXICHBVXXQH-SNVBAGLBSA-N 322.758 3.080 10 10 DGCE CC(C)[C@H]1N(Cc2cc3c(cc2O)OCO3)CC12CC=CC2 843431508 FWAPSOWRHDUSLW-QGZVFWFLSA-N 301.386 3.298 10 10 DGCE CC[C@@H](NCC12CC(CN1)C2)c1cc(Cl)cc(Cl)c1O 854226970 KDIBESWOIHDFPY-KWCGZIOASA-N 315.244 3.492 10 10 DGCE C[C@H](NC[C@@H]1C[C@H]1C1CCOCC1)c1ccc(N(C)C)cc1 866536302 CURWPYOCMDOKLW-FNHZYXHNSA-N 302.462 3.466 10 10 DGCE C[C@@H]1C[C@H](C(=O)NCc2ccc(N3CCCCC3)cc2)[C@@H](C)O1 865030630 BCAZJRRYDAHIJU-RKVPGOIHSA-N 316.445 3.107 10 10 DGCE Cc1cnc([C@H](C)NC(=O)N[C@@H](C)c2ccccc2O)s1 868343319 OWSHNRQQKUMBOS-QWRGUYRKSA-N 305.403 3.279 10 10 DGCE Oc1cc2c(cc1CN1CCC[C@@]3(CC=CCC3)C1)[C@H](O)CO2 768445670 GKKVGTDVYQQPGM-MJGOQNOKSA-N 315.413 3.140 10 10 DGCE CC[C@H](C(=O)N1Cc2cccc(O)c2C1)c1c(C)noc1C 871201418 VRICAQSGDGNJEY-ZDUSSCGKSA-N 300.358 3.033 10 10 DGCE CCOc1ccc(CN2CCC[C@@H]([C@H]3CCOC3)C2)c(O)c1 770374375 MXFJSPUFQPRGLD-ZBFHGGJFSA-N 305.418 3.039 10 10 DGCE C[C@@H]1CCCCCN1Cc1ccc(N2CCN(C)CC2)cc1 775702087 POPNMWRTSWZMFB-QGZVFWFLSA-N 301.478 3.203 10 10 DGCE Cc1cc(Cl)cc(CN2CCO[C@H](C(F)(F)F)C2)c1O 775715508 ZJUIZNBIUHCCCD-NSHDSACASA-N 309.715 3.117 10 10 DGCE C/C(=C\c1cccnc1)C(=O)N1C[C@@H](C)Oc2cc(F)ccc21 1126538946 ZBSFYDVJLSFUMB-YQCJOKCJSA-N 312.344 3.438 10 10 DGCE CC[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccncc1 1136922930 XIXSOMDHXLHJOO-AWEZNQCLSA-N 311.345 3.125 10 10 DGCE CCNCc1cc(F)c(N2CCS[C@@H](C)[C@@H]2C)c(F)c1 133287567 XXVRVLHBOGFSEU-QWRGUYRKSA-N 300.418 3.405 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1Nc1c(N)cccc1F 1959364514 NZNBYCPBUNWZRZ-QWHCGFSZSA-N 309.385 3.266 10 10 DGCE C[C@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1O 1302532533 HOIHHOKADJKKJO-VIFPVBQESA-N 320.732 3.445 10 10 DGCE C[C@@H](CNCc1cccc(F)c1O)N(C)Cc1ccccc1 390577499 XKRDTLWTLWMHIP-AWEZNQCLSA-N 302.393 3.141 10 10 DGCE CS[C@H]1CC[C@@H]1NCc1cc(Br)ccc1O 390573305 VNHRNJRKUQTWCP-JQWIXIFHSA-N 302.237 3.138 10 10 DGCE Cc1cccc(COCC(=O)NCc2cccc(Cl)c2O)c1 1606867754 CIZIAIHYMAFZNJ-UHFFFAOYSA-N 319.788 3.187 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc2ncccc2o1 1540440899 YFRKEFIQRZGEFV-UHFFFAOYSA-N 309.369 3.166 10 10 DGCE COC(=O)c1cnc(SCc2ccc3c[nH]nc3c2)s1 1613812202 JFPYIJXWHPRMIY-UHFFFAOYSA-N 305.384 3.098 10 10 DGCE COc1ccc(CN[C@@H](C)[C@@H](C)NC(=O)C(C)(C)C)cc1C 1485213804 CCRRAVYUPHEBSD-UONOGXRCSA-N 306.450 3.033 10 10 DGCE NCc1cc(F)c(N2CC(F)(F)C(F)(F)C2)cc1Cl 2120886206 XLBOBTYOUODMDT-UHFFFAOYSA-N 300.658 3.028 10 10 DGCE Cc1c(C(=O)N[C@@H](C)c2ccccc2O)nc(O)c2ccccc12 1632256095 ZAQAORYQHPNSLX-LBPRGKRZSA-N 322.364 3.445 10 10 DGCE O=C(Nc1ccc(Oc2cnccn2)cc1)c1cc(O)cs1 1630205411 DXXPZWNNURUDSI-UHFFFAOYSA-N 313.338 3.288 10 10 DGCE O=C(COCc1cccc(Cl)c1)NCc1c(O)cccc1F 1645051086 VPMPUCXZZRWOHN-UHFFFAOYSA-N 323.751 3.018 10 10 DGCE C[C@H](NC(=O)Cc1ccc(N)cc1)c1ncc(-c2ccccc2)o1 160475029 KXOXBZKJAOKFDC-ZDUSSCGKSA-N 321.380 3.344 10 10 DGCE CC(C)CNC(=O)NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1 1890439048 RZYIKCVDVILSPE-RDJZCZTQSA-N 301.434 3.131 10 10 DGCE NCc1ccc2c(c1)CCN2Cc1ccccc1Br 2133393662 AIULCVUXQIAEKW-UHFFFAOYSA-N 317.230 3.471 10 10 DGCE CC(C)(C)OC(=O)NCCCCCNCc1ccc(N)cc1 1929710764 KYYZOQANNNHXKS-UHFFFAOYSA-N 307.438 3.053 10 10 DGCE Cc1cc([C@@H](NN)c2ccccc2O)sc1Br 1942400176 HDSKKJADMNGGOG-NSHDSACASA-N 313.220 3.077 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](N)[C@@H]1c1c(O)cccc1Cl 1952365091 NEHGICKKBBRBCD-GXFFZTMASA-N 312.797 3.055 10 10 DGCE CSCC1CC(NCc2cc(Br)ccc2O)C1 1974332801 KEYCGOYFHONCCO-UHFFFAOYSA-N 316.264 3.386 10 10 DGCE NCc1ccc(N2CCCSC[C@@H]2C(F)(F)F)c(F)c1 2143596592 BCKUMUDGXDZSJB-GFCCVEGCSA-N 308.344 3.159 10 10 DGCE [N-]=[N+]=NC[C@H]1CCN(C(=O)C2CC(OCc3ccccc3)C2)C1 1976703408 GSXJBDYDEFVWKT-QQFBHYJXSA-N 314.389 3.141 10 10 DGCE C[C@H](CC1CN(C(=O)OC(C)(C)C)C1)[C@@H](N)c1ccccc1O 1984136706 CFKNOYARJYEOIA-MLGOLLRUSA-N 320.433 3.285 10 10 DGCE CC1(C)CN(Cc2ccccc2)CCN1CCc1ccc(N)cc1 1997365325 GADOWFBPFJKEFY-UHFFFAOYSA-N 323.484 3.408 10 10 DGCE CN(Cc1cc(Cl)cc(Cl)c1O)[C@@H]1CN2CCC1CC2 380806103 LSJMPOSDJIXQJM-CQSZACIVSA-N 315.244 3.225 10 10 DGCE CCN(Cc1cc(Cl)cc(Cl)c1O)[C@H]1CCN(C)C1 693475826 OJAPDLBUUVCJAA-LBPRGKRZSA-N 303.233 3.225 10 10 DGCE CCNCc1cc(F)c(N2CCC[C@H](SC)C2)c(F)c1 394865570 IXFBBNFWCTWBSZ-LBPRGKRZSA-N 300.418 3.406 10 10 DGCE CNCc1cc(CC(C)C)nn1[C@@H](C)c1ccc(OC)cc1O 2070050214 MKOCDBBKGGTRJY-ZDUSSCGKSA-N 317.433 3.125 10 10 DGCE CNCc1cc(CC(C)C)nn1[C@H](C)c1cc(C)ccc1O 2070058718 OQWSOGSAGBVKQI-CQSZACIVSA-N 301.434 3.424 10 10 DGCE C[C@H](N[C@H]1CS[C@H](C(F)(F)F)C1)c1cc(O)ccc1O 2189223169 POJXFTMVZRRYLW-SXMVTHIZSA-N 307.337 3.185 10 10 DGCE CN(C)[C@@]1(C)CCN(Cc2cc(Cl)cc(Cl)c2O)C1 2093539695 KBHUWSXVXWHHAT-AWEZNQCLSA-N 303.233 3.225 10 10 DGCE CSc1ncc(CNC[C@@H]2CC[C@@H](C(F)(F)F)O2)s1 2208786737 PKJBQUNZUFEKMV-CBAPKCEASA-N 312.382 3.065 10 10 DGCE CSc1ncc(CNc2ncnc3sc(C)nc23)s1 2269188199 NBYZUJXBENLRKH-UHFFFAOYSA-N 309.445 3.185 10 10 DGCE O=C(/C=C/c1cnccn1)N(Cc1ccco1)c1ccccc1 491188599 XMKAOKWFLWEMIK-CMDGGOBGSA-N 305.337 3.316 10 10 DGCE CN1CCc2cc(N3CCN(Cc4ccccc4)CC3)ccc21 71702526 XZJAWOKILDLJIG-UHFFFAOYSA-N 307.441 3.001 10 10 DGCE Nc1ccc(Cc2nc(Cc3c(F)cccc3Cl)n[nH]2)cc1 82752288 QMRKKCSGSSROBV-UHFFFAOYSA-N 316.767 3.361 10 10 DGCE Cc1noc(CCN[C@@H](C)c2ccc(N3CCCCC3)cc2)n1 89518205 KHYRAMYDKBKKGL-AWEZNQCLSA-N 314.433 3.262 10 10 DGCE CCOC(=O)[C@H](NCCN=[N+]=[N-])c1cc(Cl)cc(Cl)c1 90257665 KFNZBNCHCUPSSX-LLVKDONJSA-N 317.176 3.498 10 10 DGCE c1cc(N2CCOCC2)ccc1CN(CC1CC1)CC1CC1 93480096 HPLWSKJKKIYNFC-UHFFFAOYSA-N 300.446 3.145 10 10 DGCE CCOc1ccc(O)c(CN(C)Cc2ccc(N(C)C)cc2)c1 155184600 BKWBRAHZLLBZKI-UHFFFAOYSA-N 314.429 3.489 10 10 DGCE CCN[C@H](C)c1ccc2c(c1)CCN2CCOC(F)(F)F 162175297 MCOVWPSSZNGPEW-LLVKDONJSA-N 302.340 3.256 10 10 DGCE C[C@H](N[C@@H]1CCCN(c2ccccc2)C1=O)c1ccccc1O 179884695 LWFACQQGHGSHBN-WMLDXEAASA-N 310.397 3.238 10 10 DGCE Cc1ccc([C@@H](C)NC2CCN(c3ccccn3)CC2)c(O)c1 192709244 IGVFTDBZADKMCP-OAHLLOKOSA-N 311.429 3.415 10 10 DGCE CC(C)C(=O)N1CCC(N[C@H](C)c2ccc(N(C)C)cc2)CC1 193022199 XGWJNYYZOWKAMZ-OAHLLOKOSA-N 317.477 3.050 10 10 DGCE Cc1cnccc1CNCc1cc(Br)ccc1O 235808045 FHXHIWKJXFQUJT-UHFFFAOYSA-N 307.191 3.148 10 10 DGCE CCN(C)c1ccc([C@H](C)NC[C@H](C)Cn2ccnc2)cc1 247029527 NLQJHWHQOYIDOW-HOTGVXAUSA-N 300.450 3.326 10 10 DGCE Cc1cc(Cl)cc(CNC[C@](C)(O)c2cccs2)c1O 271767459 APUKWNREWNPSHX-HNNXBMFYSA-N 311.834 3.413 10 10 DGCE C[C@@H](c1cc(Br)ccc1O)N(C)[C@H]1CO[C@H](C)C1 401442109 WJRXUKZNEJBSKK-JFGNBEQYSA-N 314.223 3.325 10 10 DGCE CCc1ccccc1NS(=O)(=O)c1cc(F)cc(F)c1O 753016302 JBZOMRNKUUGRNO-UHFFFAOYSA-N 313.325 3.034 10 10 DGCE C[C@H](NCC[C@H]1CCOC1)c1ccc(Br)cc1O 757658632 SHFRLYDYXSXJSG-QWRGUYRKSA-N 314.223 3.232 10 10 DGCE COc1ccc(N(C)Cc2ccc3c(c2)OCCO3)cc1F 757852230 IGQPNEGUMSVPBE-UHFFFAOYSA-N 303.333 3.242 10 10 DGCE Cn1nc(CNCc2cccc(Cl)c2O)c2ccccc21 761225593 JUCDJFIJMYOYPZ-UHFFFAOYSA-N 301.777 3.222 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2C[C@H](C)O[C@@H](C)[C@@H]2C)c1O 782630227 ZAKQSBGVDKLPPN-NHCYSSNCSA-N 311.809 3.246 10 10 DGCE COc1ccc(CNC(=O)C/C=C/c2ccc(F)cc2)c(O)c1 794380470 DQIXREQTYZPCFJ-NSCUHMNNSA-N 315.344 3.260 10 10 DGCE CCc1nc(C(=O)NCc2ccc(N(CC)CC)cc2)c(C)o1 795346034 SYJLSIXQGDKLKC-UHFFFAOYSA-N 315.417 3.322 10 10 DGCE Oc1c(F)cc(Cl)cc1CNCC1(O)CCC(F)(F)CC1 827648875 FHZHLUPJYHIBSQ-UHFFFAOYSA-N 323.742 3.215 10 10 DGCE Cc1cc(N(C)C)ccc1CN[C@H](CO)c1sccc1C 840935204 IGFGMWKDFIAPFQ-MRXNPFEDSA-N 304.459 3.254 10 10 DGCE Cc1cc(N(C)C)ccc1CN[C@H](c1ccccc1F)[C@@H](C)O 846012616 GFJYMOGSTFBKEU-KUHUBIRLSA-N 316.420 3.412 10 10 DGCE CCc1cccc(CN[C@H](c2ccccc2F)[C@H](C)O)c1O 848920065 WSOFSLPQOUEKCD-SJCJKPOMSA-N 303.377 3.305 10 10 DGCE COc1cc(CN[C@@H](C)c2nccn2C)c(O)c(C(C)(C)C)c1 850410396 SWAWRFOTJNHXGU-LBPRGKRZSA-N 317.433 3.283 10 10 DGCE CSCCNC(=O)Cc1cc(C)n(-c2ccccc2)c1C 854251401 BLZYGDYXWAXRJT-UHFFFAOYSA-N 302.443 3.116 10 10 DGCE COC(=O)C1=CC[C@H](N[C@@H](C)c2ccc3ccccc3c2O)C1 858471987 FYKJPYYBIQMOOW-WFASDCNBSA-N 311.381 3.458 10 10 DGCE CC[C@@H](N[C@H]1C[C@H](C(N)=O)C1)c1cc(Cl)cc(Cl)c1O 858494819 OGECOPJYRJZFKC-JWKOBGCHSA-N 317.216 3.004 10 10 DGCE C[C@@H]1O[C@H](C)C[C@@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 864786456 SGHQDCCBEGWHMA-GLJUWKHASA-N 316.445 3.057 10 10 DGCE CCN1C(=O)/C(=C\c2cn3cc(Cl)ccc3n2)SC1=S 920754835 DSWZWIJIACQBHE-BJMVGYQFSA-N 323.830 3.209 10 10 DGCE Cc1cc(Cl)cc([C@H](C)NC[C@H]2CNCCC2(F)F)c1O 925776485 KRXCGBZOZSSTRF-WDEREUQCSA-N 318.795 3.249 10 10 DGCE CC(=O)c1cc(Cl)cc(CN[C@H]2CC[C@H]3CC[C@H]2OC3)c1O 934602899 XRRGRZHAEMPTDM-KNXALSJPSA-N 323.820 3.295 10 10 DGCE CC(C)(C)c1nsc(NC(=O)N2Cc3cccc(O)c3C2)n1 1119694277 GQHKJDWYFCNYCY-UHFFFAOYSA-N 318.402 3.089 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC1(C(C)C)CC1 1230194638 DAYBDXSSVRRZMS-HNNXBMFYSA-N 317.477 3.480 10 10 DGCE CC[C@@H](NCCOCCCO)c1ccc(Cl)c(Cl)c1O 1257445483 YMFSQMQLMFOMGO-GFCCVEGCSA-N 322.232 3.139 10 10 DGCE COc1ccc(CN[C@H](C)[C@@H](C)NC(=O)C2=CCCC2)cc1C 1282114644 UNPMZNCXYKYJFS-HUUCEWRRSA-N 316.445 3.097 10 10 DGCE Cc1cc2occ(C(=O)NCc3ccc(O)cc3O)c2cc1C 1299575250 YLCOWKSKNQEAAF-UHFFFAOYSA-N 311.337 3.391 10 10 DGCE CC(=O)c1ccsc1NC(=O)c1ccc(C2=S=CC=C2)o1 1436485407 PPPVGZIZUQNSDJ-UHFFFAOYSA-N 317.391 3.422 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)/C=C/c1ccco1 1436857683 VCZUBGXGMJCHOF-FEAKQIBJSA-N 312.413 3.415 10 10 DGCE C[C@@H](CCCc1ccccc1)C(=O)NCc1cccc(O)c1O 1528771165 LSBWMRYQJIBDMF-AWEZNQCLSA-N 313.397 3.373 10 10 DGCE O=C(NCc1c(O)cccc1F)c1cnc(-c2ccco2)s1 1558454788 MGDLGMVICSCAMA-UHFFFAOYSA-N 318.329 3.178 10 10 DGCE Cc1nc(CC(C)C)c(NC(=O)Cc2ccc(O)c(O)c2)s1 1622892043 NFIMRPRMAZALAA-UHFFFAOYSA-N 320.414 3.242 10 10 DGCE O=C(Cc1coc(-c2ccccc2)n1)N1Cc2cccc(O)c2C1 1632704272 YEBZLUDUCUWOAG-UHFFFAOYSA-N 320.348 3.132 10 10 DGCE O=C(Cc1ccc(O)cc1)NCc1c(O)ccc2ccccc12 1635965409 ZCEKTKYGZJFONH-UHFFFAOYSA-N 307.349 3.110 10 10 DGCE COc1cc(N2CC[C@H](CC(C)C)C2)c([N+](=O)[O-])cc1OC 1651582723 HSOKABMIAOYGCE-GFCCVEGCSA-N 308.378 3.484 10 10 DGCE C[C@@H](NC(=O)NCc1ccccc1O)[C@@H]1CC2CCC1CC2 1686933503 PJAXFHDPNDXESO-WOICTCIZSA-N 302.418 3.406 10 10 DGCE CC[C@@H](Nc1nccc(O)n1)c1cc(Br)ccc1O 1877598427 ALSHOYAOFXKUAS-SNVBAGLBSA-N 324.178 3.214 10 10 DGCE Cc1ccc(Cn2cc(Cl)cn2)c(O)c1Br 1905179590 LAQVTKKZZAHGTB-UHFFFAOYSA-N 301.571 3.361 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2C(Nc3c(N)cccc3Cl)[C@@H]2C1 1959377478 OSBRHDCMPFIYEP-NXEZZACHSA-N 323.824 3.199 10 10 DGCE NCc1cc(F)c(N(CCCO)Cc2ccccc2)cc1Cl 1974800792 KATPVJCXKAPWKQ-UHFFFAOYSA-N 322.811 3.327 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H]2CCN(c3ccc(N)cc3)C[C@H]21 1977970210 KIHJEAMNPBGQDX-CZUORRHYSA-N 317.433 3.105 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1C[C@@H]([C@@H](F)[C@H](N)c2ccccc2O)C1 1992605357 LOCCVPQTFAVTJM-BAESOJJISA-N 324.396 3.033 10 10 DGCE CS[C@H]1C[C@@H](CNCc2c(O)cccc2Br)C1 2016152560 WWLXLFBHDQCSPJ-AOOOYVTPSA-N 316.264 3.386 10 10 DGCE CN(C)c1ccc([C@@](C)(N)c2ccnn2Cc2ccccc2)cc1 2024705616 DTGYSJNZUIUACM-HXUWFJFHSA-N 320.440 3.220 10 10 DGCE C[C@@H](O)c1ccc(N(C)Cc2ccon2)c(Br)c1 2042310655 OOXBHOZIHQDXSM-SECBINFHSA-N 311.179 3.127 10 10 DGCE CNCc1cc(CC(C)C)nn1[C@@H](C)c1c(O)cccc1OC 2070050124 KXSOWELXDSSXLC-ZDUSSCGKSA-N 317.433 3.125 10 10 DGCE COc1ccc([C@H](C)n2ncc(-c3ccccc3)c2N)c(O)c1 2070241635 WMLFEARPAJZAKN-LBPRGKRZSA-N 309.369 3.456 10 10 DGCE C[C@@H]1CC[C@H](CN(C)Cc2c(O)cccc2Br)O1 2075393839 YNZYFZQAFKNHHK-GHMZBOCLSA-N 314.223 3.154 10 10 DGCE CNCc1ccc(N2CCC(Br)=C(C)C2)c(F)c1 2077213952 JRJILASWLOXOJW-UHFFFAOYSA-N 313.214 3.424 10 10 DGCE Cc1cc(O)c([C@H](C)n2nc(C(C)(C)C)c(CN)c2N)cc1C 2080023597 YRUWHABLOYQNGG-LBPRGKRZSA-N 316.449 3.153 10 10 DGCE Nc1ccc(COC[C@H](O)c2ccccc2Br)cc1 2113438485 DTQQYOCJEZGBTD-HNNXBMFYSA-N 322.202 3.282 10 10 DGCE CCn1nc(Br)cc1NCc1cccc(C)c1O 2219692764 LDGAPOYWSKHWRN-UHFFFAOYSA-N 310.195 3.292 10 10 DGCE Cc1cc(C(=O)N(C)CCN=[N+]=[N-])cc(C)c1Br 2220092077 KBVUHACRBJRCLT-UHFFFAOYSA-N 311.183 3.448 10 10 DGCE NCc1ccc(N2CCC[C@H](OC(F)(F)F)C2)cc1Cl 2239150333 SNDLGTAPIPIJDH-NSHDSACASA-N 308.731 3.304 10 10 DGCE CCCN(C[C@H](C)O)c1ccc([C@H](C)N)cc1Br 2259723188 WYBDFSFQSFSJHR-QWRGUYRKSA-N 315.255 3.066 10 10 DGCE CCC(F)(F)CC[S@@](=O)CCCOc1ccc(N)cc1 2283695473 CPPQHISWQZLPBU-FQEVSTJZSA-N 305.390 3.222 10 10 DGCE CSc1ncc(CNC[C@H]2Cc3cc(C)ccc3O2)s1 2284631772 YDQFQIHCNFQIFY-GFCCVEGCSA-N 306.456 3.267 10 10 DGCE Cc1ccsc1C=C1SC(N2C[C@H](C)O[C@@H](C)C2)=NC1=O 2293606110 CXSCXXJSWFBCQD-QWRGUYRKSA-N 322.455 3.136 10 10 DGCE Cc1ccc(CN2C(=O)CCC2(C)C)c(O)c1Br 2327606820 CZTZEXKMWAASNU-UHFFFAOYSA-N 312.207 3.364 10 10 DGCE CCN1N=C(C(F)(F)F)C(=Cc2ccc(F)cc2F)C1=O 2332129443 CCMCMJBTFXYIGC-UHFFFAOYSA-N 304.218 3.129 10 10 DGCE O=C1N=C(O)/C(=C\c2ccccc2)C(=O)N1c1ccccc1F 2983943 PFYNTAXMTCGBIH-ZRDIBKRKSA-N 310.284 3.332 10 10 DGCE C[C@@H](Oc1ccc(F)c(Cl)c1)C(=O)Nc1ccc(N)cc1 111763999 QIZLZAVCUGFCDG-SECBINFHSA-N 308.740 3.467 10 10 DGCE C[C@@H](N)c1ccc(N2CCN(Cc3ccccc3)CC2)c(F)c1 302832745 UEVJMKWETPVMFZ-OAHLLOKOSA-N 313.420 3.168 10 10 DGCE C[C@H](NC/C=C\CNC(=O)OC(C)(C)C)c1ccccc1O 309691002 IQUUZLXGLASLEU-WSROAFLRSA-N 306.406 3.124 10 10 DGCE Oc1cccc(Cl)c1CNc1cccc(-n2cnnc2)c1 120397445 LINNEFKYGZNXST-UHFFFAOYSA-N 300.749 3.238 10 10 DGCE O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C/C=C\c1ccccc1 33314599 GJZBEHWMAWWIHF-YXAWYSDKSA-N 324.767 3.358 10 10 DGCE O=C(/C=C/c1ccc(N2CCOCC2)cc1)Nc1ccsc1 135364614 LFVSEXNKWNYOEI-ZZXKWVIFSA-N 314.410 3.237 10 10 DGCE COc1ccc(O)c([C@@H](C)N[C@H](CN(C)C)c2ccccc2)c1 192926390 XBKBTUVMBKVSJN-RDTXWAMCSA-N 314.429 3.354 10 10 DGCE CN(Cc1ccc(Cl)s1)c1cc2c(cc1N)OCCO2 48971506 RWBBEPVSILMRLK-UHFFFAOYSA-N 310.806 3.391 10 10 DGCE CSc1ncc(CNC2(C(=O)O)C[C@H](C)C[C@@H](C)C2)s1 2373740388 RTMVEDORYWIPET-NXEZZACHSA-N 314.476 3.234 10 10 DGCE COc1ccc(OC)c(NC(=S)Nc2ccc(N)cc2)c1 243191186 JZURSLAAOGXMNO-UHFFFAOYSA-N 303.387 3.095 10 10 DGCE Oc1ccc(Br)cc1CNc1ncncc1Cl 804828722 XRQVJPIRIAYPRA-UHFFFAOYSA-N 314.570 3.210 10 10 DGCE O=C(NC[C@H]1CC[C@H](c2ccccc2)O1)c1cc(O)cs1 811564195 UPRVNJGJRXUQHB-ZIAGYGMSSA-N 303.383 3.104 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)[C@H](OC)C2CCC2)cc1 819973691 ARRQSSNPUJWAHV-GOSISDBHSA-N 318.461 3.306 10 10 DGCE CON(C)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 588553256 XAYMHJIOOJGQKW-UHFFFAOYSA-N 312.329 3.060 10 10 DGCE CN(C)c1ccc(CN(Cc2ccco2)C(=O)C2(F)CC2)cc1 843527160 INPKZARZKKUVSR-UHFFFAOYSA-N 316.376 3.377 10 10 DGCE O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cccc(Cl)c1O 840997716 GPORQYNXXOOKGM-GDLCADMTSA-N 309.793 3.263 10 10 DGCE CN(C)c1ccc(/C=C/CNc2ccc(OCCN)cc2)cc1 841053721 AXCFALQYCSXCMK-ONEGZZNKSA-N 311.429 3.215 10 10 DGCE Cc1cc(N(C)C)ccc1CN1CCCC[C@H]1[C@@H]1CCNC1 841086255 GRTMPRZDJRSMQZ-APWZRJJASA-N 301.478 3.025 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)[C@H](C)c3ccccc3)C2)cc1 855228082 UXEFZUNJYUBXJQ-WBVHZDCISA-N 324.424 3.194 10 10 DGCE Cc1ccc(/C=C/C(=O)N2CCOc3ccc(Cl)cc32)cn1 754322073 WVPGPIYDVGPNIO-QPJJXVBHSA-N 314.772 3.482 10 10 DGCE COc1cccc(CN2CCO[C@@H](C3CCCCC3)C2)c1O 758062559 KTEYCFWGGSGZKW-QGZVFWFLSA-N 305.418 3.182 10 10 DGCE COc1ccc(O)c([C@H](C)NCc2nc3ccc(C)cc3[nH]2)c1 756630999 WXEAXIDVFMCZQC-LBPRGKRZSA-N 311.385 3.436 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)C[C@@H]2CCC(F)(F)C2)c1 797942947 LTJZTRMIFRJQKW-QWRGUYRKSA-N 313.344 3.404 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H]2CCN(CCCN=[N+]=[N-])C[C@H]21 1899965636 IXNPYCMOVICEQN-UONOGXRCSA-N 323.441 3.408 10 10 DGCE CCO/C=C1/SC(=S)N(c2ccc(F)c(F)c2)C1=O 1088730333 RXHZKVXJPROBTD-UXBLZVDNSA-N 301.339 3.207 10 10 DGCE CCOC(=O)C1=CC[C@@H](NCc2ccc(N3CCCC3)cc2)C1 1329078614 NZHQUPSIGSOZLX-QGZVFWFLSA-N 314.429 3.028 10 10 DGCE CC12C[C@@H]3C[C@H](C1)CC(C(=O)NCc1cccc(O)c1O)(C3)C2 1349076922 AKFRQXGOQRYERV-NFAYLAGKSA-N 315.413 3.321 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)c2cc3c(C)cccn3c2)c1 1445964161 CDMSYHTUINESOU-CYBMUJFWSA-N 324.380 3.453 10 10 DGCE Cc1ccc(/C=C\C(=O)N2CCOc3c2ccc(F)c3F)cn1 1529217635 AENWCLBANVIPCP-DAXSKMNVSA-N 316.307 3.107 10 10 DGCE O=C(CSCc1ccc(F)cc1)NCc1c(O)cccc1F 1456094009 POKSYPUSGKJXKG-UHFFFAOYSA-N 323.364 3.220 10 10 DGCE CC[C@H]1CCCCCN1CC(=O)NCc1ccc(N(C)C)cc1 1459531727 MDUTVUNROMXPQN-KRWDZBQOSA-N 317.477 3.023 10 10 DGCE CN(Cc1ccc(F)cc1)C(=O)c1ccc(N=NC(N)=O)cc1 1540352238 FNSAWSJRVPSFLZ-UHFFFAOYSA-N 314.320 3.260 10 10 DGCE CC(C)(C(=O)NCc1c(O)ccc2c1CCCC2)c1ccccn1 1622664095 GRQKYCFCNJSMJO-UHFFFAOYSA-N 324.424 3.260 10 10 DGCE Cc1ccccc1C[C@@H](C)C(=O)NCc1c(O)cccc1F 1558454225 BXOYFVLDPMDUIJ-CYBMUJFWSA-N 301.361 3.335 10 10 DGCE O=C(NCc1cc(O)ccc1O)c1ccc(-c2cccs2)o1 1558175491 SQQAKGBTMNCVJB-UHFFFAOYSA-N 315.350 3.349 10 10 DGCE C[C@H](CCc1cccc(F)c1)C(=O)NCc1c(O)cccc1O 1558533850 LQPDPNKNSMXLMR-GFCCVEGCSA-N 317.360 3.122 10 10 DGCE CO/C(=C/c1ccccc1)C(=O)NCc1cccc(Cl)c1O 1637227126 ODFQDRPMGFJJKT-XNTDXEJSSA-N 317.772 3.349 10 10 DGCE CCOc1ccc(N2CCN(C[C@@H](CC(C)C)OC)CC2)cc1 1653840649 LQJZXIYKOMOFSW-LJQANCHMSA-N 320.477 3.268 10 10 DGCE O=C(NCc1cc(O)ccc1O)c1cc2cccc(Cl)c2o1 1593873437 PFDVKCFUNQJHHE-UHFFFAOYSA-N 317.728 3.427 10 10 DGCE CN(C[C@H]1CCCCO1)c1ccc(/C=C/C(=O)O)cc1Cl 164357932 OAYPOIBTYXTQCE-STMXVASLSA-N 309.793 3.443 10 10 DGCE CCCn1cc(CN(CC)Cc2ccc(N(C)C)cc2)cn1 156842576 ZIVXVDYIZDWTNG-UHFFFAOYSA-N 300.450 3.381 10 10 DGCE Cc1cc(C)c(NC(=O)CNCc2cc(C)ccc2O)c(C)c1 113312606 QHFNKQYALJPXNO-UHFFFAOYSA-N 312.413 3.354 10 10 DGCE CNCc1ccc(N(CCCO)Cc2ccccc2)cc1Cl 1914646562 QYXWMQHMWRKSLJ-UHFFFAOYSA-N 318.848 3.448 10 10 DGCE CC[C@@H](C)N(C[C@@H](N)c1ccccc1O)C(=O)OC(C)(C)C 1928469295 GTFZDQISDZIPOE-TZMCWYRMSA-N 308.422 3.428 10 10 DGCE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2[C@@H](N)c1ccccc1O 1936967276 GAGCPRWFPAORMO-DSRCVFDASA-N 318.417 3.180 10 10 DGCE C[C@@H](NCC1(F)CN(C(=O)OC(C)(C)C)C1)c1ccccc1O 1937182766 QGIXRXNJWFWHFN-GFCCVEGCSA-N 324.396 3.002 10 10 DGCE Nc1cc2c(cc1N(Cc1ccccc1)C1CCC1)NC(=O)CO2 1946893708 DCDMTLIUWUZPLG-UHFFFAOYSA-N 323.396 3.159 10 10 DGCE Cc1cc(Br)cc(CN2C[C@H](C)[C@H](F)C2)c1O 1947371640 KKXPPOKULKZIIG-JOYOIKCWSA-N 302.187 3.253 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H](N)C[C@@H]1c1cccc(Cl)c1O 1952445896 AJSVUZJXEHBCJI-BXKDBHETSA-N 312.797 3.055 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@@H]1[C@@H]2CCOC[C@H]21 1972262982 OZDOANSEBKWIDF-QJPTWQEYSA-N 302.201 3.071 10 10 DGCE CN(C)c1ccc([C@H](N)[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)cc1 1977945045 LVRXSZBEDYYSRH-LZWOXQAQSA-N 319.449 3.056 10 10 DGCE C[C@H]1CN(Cc2ccc(N)cc2)[C@H](C)CN1C(=O)OC(C)(C)C 1977925275 JLFDLZXNJXXEFE-KGLIPLIRSA-N 319.449 3.099 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](CN(CCCCN=[N+]=[N-])C2)C1 1982245857 MVTLIHPTUJUQMP-KBPBESRZSA-N 323.441 3.266 10 10 DGCE CN(c1ccc2c(c1)CC[C@H]2N)[C@H]1CCN(Cc2ccccc2)C1 2012699733 GQORNYZIYISHHR-PZJWPPBQSA-N 321.468 3.343 10 10 DGCE CSc1ncc(CNCCCCC(C)(C)C(=N)NO)s1 2284537198 JUCRAILSEKDLSD-UHFFFAOYSA-N 316.496 3.107 10 10 DGCE COc1ccc(NCc2cnc(SC)s2)c([N+](=O)[O-])c1 2284640925 OPTZCQHUCZKXSJ-UHFFFAOYSA-N 311.388 3.394 10 10 DGCE Cc1cncc(C=CC(=O)N(C)Cc2ccc(N(C)C)cc2)c1 2302462340 BKFLKWIAAFRSRK-UHFFFAOYSA-N 309.413 3.128 10 10 DGCE CCN(CC)CCCCNC(=O)C=Cc1ccc(N(C)C)cc1 2320615696 WQGQZOVOCPRJRT-UHFFFAOYSA-N 317.477 3.004 10 10 DGCE CN[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2O)CC1 2340125894 MSUDVXVFQJFUCF-LBPRGKRZSA-N 303.233 3.273 10 10 DGCE CC[C@@H](C(=O)NC1=NN(c2ccccc2)C(=O)C1)c1ccccc1 8906454 KFHYNYMBWIUEDG-MRXNPFEDSA-N 321.380 3.047 10 10 DGCE COc1ccc(OC)c(/C=C2\SC(=S)N(C3CC3)C2=O)c1 54499017 JDHXQQGNBJOQCV-JYRVWZFOSA-N 321.423 3.067 10 10 DGCE COC(=O)[C@@H](NCCN=[N+]=[N-])c1ccc(Cl)cc1Cl 90256856 QHZOJJXCPPJCRJ-JTQLQIEISA-N 303.149 3.107 10 10 DGCE CCN(C)c1ccc([C@@H](C)N[C@@H](C)Cc2cc(C)[nH]n2)cc1 90533389 NRVPRXVQTSWTIU-DZGCQCFKSA-N 300.450 3.456 10 10 DGCE CCO[C@H]1C[C@@H](N(C)Cc2ccc(OC)cc2O)C12CCC2 92041144 DGIWGJIDNIXEHY-SJORKVTESA-N 305.418 3.180 10 10 DGCE COc1ccc(N(C)Cc2cnn(C)c2C(F)(F)F)cc1F 121779252 VYAFOVBMCHDIIB-UHFFFAOYSA-N 317.286 3.223 10 10 DGCE COc1cccc(CN[C@H]2CCOC3(CCCCC3)C2)c1O 136749144 YFFVGLLLIRTVFX-HNNXBMFYSA-N 305.418 3.372 10 10 DGCE CN(Cc1csc([C@H]2CCCO2)n1)c1ccc2c(c1)OCO2 137177348 RAMKBFSIRCETRG-CQSZACIVSA-N 318.398 3.360 10 10 DGCE C[C@H](N[C@H](CN(C)C)c1ccccc1)c1ccc(F)cc1O 170788913 VVBLAEKWJILUHQ-SUMWQHHRSA-N 302.393 3.485 10 10 DGCE Oc1c(Cl)cccc1CN1CC[C@@H](Oc2cccnc2)C1 180484529 DRZKRONRWYLAGO-CQSZACIVSA-N 304.777 3.094 10 10 DGCE CCn1cc(N[C@@H](C)c2ccc(N3CCC(O)CC3)cc2)cn1 183358066 HLBGRBCVWLSWRQ-AWEZNQCLSA-N 314.433 3.037 10 10 DGCE CCOC(=O)[C@H](NCCN=[N+]=[N-])c1cc(Cl)ccc1Cl 233709548 TWRDYWUIIUAUDX-LLVKDONJSA-N 317.176 3.498 10 10 DGCE CNCc1ccc(N(CCOC)C(C)C)c(Br)c1 234411319 DANNSSLCDGCQQM-UHFFFAOYSA-N 315.255 3.030 10 10 DGCE OC[C@H]1CCC[C@@H](NCc2ccc(N3CCCCC3)cc2)C1 319094617 CXJMIJALCSVTKX-ZWKOTPCHSA-N 302.462 3.318 10 10 DGCE Cc1ccc([C@@H](C)NCC2(O)Cc3ccccc3C2)c(O)c1C 363857600 CWQVHMFFDPCARP-OAHLLOKOSA-N 311.425 3.190 10 10 DGCE C[C@@H]1CCSCCN1c1ccc(CN)c(Br)c1 385355918 WMARPTVRXFSCHT-SNVBAGLBSA-N 315.280 3.240 10 10 DGCE CC(C)N[C@]1(C(=O)O)CCC[C@@H](CSc2nccs2)C1 403809338 MCRHQKGIAQJKTR-BXUZGUMPSA-N 314.476 3.247 10 10 DGCE COc1ccc(N(C)C(=O)/C=C\c2ccc(C)nc2)c(OC)c1 492476608 SPTQHDCDHKRGTN-YFHOEESVSA-N 312.369 3.083 10 10 DGCE Cc1cc(N(C)C(=O)/C=C/c2cnc3ccccc3n2)ccn1 492619171 ZWQFSSDKJWAVQA-BQYQJAHWSA-N 304.353 3.009 10 10 DGCE CCCCN(C(=O)c1ccnc2c1CC(=O)N2)c1ccccc1 612055679 BPGFPGBJMHWZRT-UHFFFAOYSA-N 309.369 3.023 10 10 DGCE F[C@H]1CCN(c2ccc(CNC3CC3)cc2Br)C1 689827456 KRDYVBLSUDHCFK-NSHDSACASA-N 313.214 3.249 10 10 DGCE CN(C)[C@@H]1CCC[C@H](Nc2c(N)cccc2Br)C1 715492570 VNVVAUSTZWRXAR-WDEREUQCSA-N 312.255 3.316 10 10 DGCE C[C@@H]1CN(C)C[C@H]1NCc1ccc(N(C)C2CCCCC2)cc1 756106333 IHMORIFFYFZLMG-OXQOHEQNSA-N 315.505 3.495 10 10 DGCE CC(C)CC[C@](C)(O)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O 756604172 MEGVKTDWLNXGEI-LRDDRELGSA-N 310.394 3.138 10 10 DGCE COc1cccc(O)c1CN[C@H](C)[C@H]1Oc2ccccc2[C@H]1C 773402828 UDIPOUPVONBSPW-VPZZIHKRSA-N 313.397 3.444 10 10 DGCE O=C(NCc1ccccc1O)c1ccc(C(F)(F)F)c(O)c1 774061587 BGVKIZMQKGYIGH-UHFFFAOYSA-N 311.259 3.047 10 10 DGCE Cc1cc(Cl)cc([C@H](C)NC2CCC(C(N)=O)CC2)c1O 808707815 ZSJOVVIUEVATQO-ZBOXLXRLSA-N 310.825 3.049 10 10 DGCE COCC[C@H](COC)NCc1cc(-c2ccccc2)ccc1O 810173619 GTCGUCSFKAMLOK-GOSISDBHSA-N 315.413 3.200 10 10 DGCE Oc1ccc(CCNc2ncc(C(F)(F)F)s2)cc1O 811811596 YHRVABLSFFWWEC-UHFFFAOYSA-N 304.293 3.228 10 10 DGCE COc1cc(Br)cc(CNCCCCF)c1O 812773760 QMIDHDHSWYBGDJ-UHFFFAOYSA-N 306.175 3.003 10 10 DGCE Cn1cc(NCc2cc(Br)ccc2O)c(C2CC2)n1 812777838 WXBQGRVUQWNITB-UHFFFAOYSA-N 322.206 3.378 10 10 DGCE OC[C@@H](NCc1cc(Cl)c(F)cc1O)c1ccsc1 816571321 ZPUHTFRSADZHIR-GFCCVEGCSA-N 301.770 3.069 10 10 DGCE C[C@@H](NCC1(N)C2CC3CC(C2)CC1C3)c1ccccc1O 817984778 ZSDJUDOIGJTBQJ-IGMKFADOSA-N 300.446 3.196 10 10 DGCE C[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@H](C)C1O 827152876 XMPKTBIAXVRHGG-HOTGVXAUSA-N 302.462 3.126 10 10 DGCE CCCN(C/C=C/c1ccc(N(C)C)cc1)C1CCNCC1 843044166 GAKAYBKVSLVABR-AATRIKPKSA-N 301.478 3.230 10 10 DGCE Cc1cc(O)c(CN2CCC([C@@H]3CCNC3)CC2)c(Cl)c1 843126295 HXNGMWCTOOXXBI-CQSZACIVSA-N 308.853 3.176 10 10 DGCE NC[C@@H]1c2ccccc2CCN1Cc1c(O)ccc(Cl)c1F 843128771 LJVZQTVTAQXCBY-OAHLLOKOSA-N 320.795 3.243 10 10 DGCE COc1cc(CNCCC2(CO)CCC2)c(O)c(C(C)(C)C)c1 850340397 ZWPUFUMSZLNJLO-UHFFFAOYSA-N 321.461 3.341 10 10 DGCE Oc1ccc(Cl)c(F)c1CN[C@H]1C[C@H](O)c2ccccc21 850373179 DHGBBTYOSHMBKS-ZFWWWQNUSA-N 307.752 3.453 10 10 DGCE c1cc2n(n1)CCC[C@@H]2NCc1ccc(N2CCCCC2)cc1 850431273 VNOAFXAMWUUYGQ-SFHVURJKSA-N 310.445 3.498 10 10 DGCE Cc1cc(F)ccc1C[C@H](C)NC(=O)NCc1ccccc1O 852463379 QIBQCXUZRUVNDG-ZDUSSCGKSA-N 316.376 3.270 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)C[C@H]3C=CCCC3)C2)cc1 855228196 XFIKLFSTHOXMPC-HOTGVXAUSA-N 314.429 3.137 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)C[C@H]3C=CCCC3)C2)cc1 855228198 XFIKLFSTHOXMPC-JKSUJKDBSA-N 314.429 3.137 10 10 DGCE Cc1ccncc1CN(C)Cc1cc(F)c(N(C)C)cc1F 862350941 JULNSVHQMZNBHT-UHFFFAOYSA-N 305.372 3.366 10 10 DGCE c1cc(N2CCCC2)ccc1CN1CC[C@]2(CCCOC2)C1 1118559744 QWZPYDWBMNSGGW-LJQANCHMSA-N 300.446 3.289 10 10 DGCE CC(C)Nc1cc(F)ccc1NC(=O)Cc1ccc(O)c(O)c1 1293745401 PRBZECAYCTUCEQ-UHFFFAOYSA-N 318.348 3.238 10 10 DGCE O=C(NCc1cccc(Cl)c1O)NC[C@H]1C[C@H]2C=C[C@H]1C2 1313407737 LVUGSZWSEGYFSK-GMXVVIOVSA-N 306.793 3.057 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@H]2OC(C)(C)C)cc1 1355015089 JPFUZMZSIJOVJU-IAGOWNOFSA-N 318.461 3.353 10 10 DGCE CSc1ccc(/C=C/C(=O)NCc2ccc(O)c(O)c2)s1 1445899929 HSQHCUZPURJTHT-ZZXKWVIFSA-N 321.423 3.211 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H]1/C=C\c1ccccc1 1472163084 LKFJGWQWWPYHSX-PXAMLJHWSA-N 323.392 3.345 10 10 DGCE CCN(C)c1ccc(CN2CCN(C)C[C@H]2CC(C)C)cc1 1473825010 YQJQGCKFNPLQBD-LJQANCHMSA-N 303.494 3.305 10 10 DGCE Cc1csc([C@@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)n1 1611355463 FREARHDDLDZHCU-SECBINFHSA-N 317.374 3.105 10 10 DGCE O=C(NCc1cc(O)ccc1O)c1cscc1C(F)(F)F 1633598792 AQTFWYBCDJJAAO-UHFFFAOYSA-N 317.288 3.108 10 10 DGCE Cc1ccc(C(C)(C)CNC(=O)c2cccc(O)c2O)c(C)c1 1636533619 LFDLQASUKCUZDN-UHFFFAOYSA-N 313.397 3.422 10 10 DGCE Cc1ccc(-n2ncc(NC(=O)c3cccc(O)c3O)c2C)cc1 1639669819 VWDIQUMHYZSQNP-UHFFFAOYSA-N 323.352 3.153 10 10 DGCE CN(Cc1ccccc1O)C(=O)NCc1cccc2ncccc12 1685026977 VTLSDBCFVNHWOC-UHFFFAOYSA-N 321.380 3.282 10 10 DGCE CCCC1=NN(CC(C)C)C(=O)/C1=C/c1cccc(OC)c1O 1865658197 DCRAVYRWLYFZAH-GXDHUFHOSA-N 316.401 3.439 10 10 DGCE CN(CCCSc1ncc(C=O)s1)C(=O)OC(C)(C)C 1883307123 PYIUPAYOQZBBJT-UHFFFAOYSA-N 316.448 3.305 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]([C@@H](N)c2ccccc2O)C12CCC2 1901211815 DSWHWYUTCRPNSM-ZFWWWQNUSA-N 318.417 3.182 10 10 DGCE Cc1cc(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])oc1Br 1912149896 MOWCPRUWFADAGI-MRVPVSSYSA-N 313.155 3.265 10 10 DGCE C[C@H](CN1CCC[C@@H](CN=[N+]=[N-])C1)C(=O)OCc1ccccc1 1912176176 VURMBCJEDHRFQG-ZBFHGGJFSA-N 316.405 3.388 10 10 DGCE CN[C@@H](C)c1ccc(N(Cc2ccccc2)C[C@@H](C)O)c(F)c1 1914617138 IAWGXPHNFZHTDL-CABCVRRESA-N 316.420 3.494 10 10 DGCE CC(C)(C)OC(=O)Nc1cccc(O)c1[C@H]1CC(F)(F)CN1 1953042397 TXTHGXQOXVOBMY-SNVBAGLBSA-N 314.332 3.409 10 10 DGCE O=C(O)[C@@H]1CC2(CC2)CN1Cc1cc(Cl)cc(Cl)c1O 1964722307 UJIHIYFWWCHESB-NSHDSACASA-N 316.184 3.138 10 10 DGCE C[C@@H]1CN(Cc2ccccc2)CC[C@]1(O)c1ccc(N(C)C)cc1 1999505017 MTYBKCKZXXZSJA-DYESRHJHSA-N 324.468 3.482 10 10 DGCE Oc1ccc(Br)cc1CN[C@H]1C[C@]12CC2(F)F 2004618282 FLKCNBXMTRQVDQ-QWRGUYRKSA-N 304.134 3.042 10 10 DGCE C[C@H]1CN(Cc2ccccc2)CCN1c1ccc2c(c1)CC[C@H]2O 2012706949 MJAHKJSAARZAQO-HRAATJIYSA-N 322.452 3.377 10 10 DGCE CC(C)(C)OC(=O)c1ccnn1Cc1cccc(Cl)c1O 2069981836 LMHAVQDHXRWDGN-UHFFFAOYSA-N 308.765 3.246 10 10 DGCE Cc1sc(Br)c(O)c1I 2080441646 VJGMCKSTSVTRKW-UHFFFAOYSA-N 318.961 3.129 10 10 DGCE Oc1ccc(CCNCc2ccccc2Br)cc1O 2091753332 IGLLWCXCDKEGDB-UHFFFAOYSA-N 322.202 3.193 10 10 DGCE NN[C@@H](COc1ccc(Cl)cc1Cl)c1ccccc1O 2152425859 WZJJKAOUBDGZHG-LBPRGKRZSA-N 313.184 3.282 10 10 DGCE C[C@@H](N)c1ccc(N(C)[C@@H]2COCCC2(F)F)cc1Cl 2168221158 USJCIFOGHPBAKW-NOZJJQNGSA-N 304.768 3.220 10 10 DGCE C[C@]1(C(=O)O)C=CCCN1Cc1cc(Cl)cc(Cl)c1O 2239430552 MUJQNBFXLHUSKU-CQSZACIVSA-N 316.184 3.304 10 10 DGCE NCc1ccc(N2CCC3(CC=CC3)C2)cc1Br 2258925695 GUIIKHRIJMMAPV-UHFFFAOYSA-N 307.235 3.454 10 10 DGCE CC(F)(F)c1cnc(Sc2cc(C(=O)O)ccn2)s1 2264507373 QJXSCGFTRMHUOZ-UHFFFAOYSA-N 302.327 3.499 10 10 DGCE CSc1ncc(CN2CCNC[C@@H]2c2ccccc2)s1 2284678807 YPMLMOGBNGBRPI-CQSZACIVSA-N 305.472 3.012 10 10 DGCE Cc1ccc(CN(C)Cc2cocn2)c(O)c1Br 2327799200 RLTLPSACOWPULH-UHFFFAOYSA-N 311.179 3.083 10 10 DGCE CC1(C)CC(=O)N(c2c(Cl)cc(N)cc2Cl)C(=O)C1 2328553573 ZAOHYRNXRPVLEK-UHFFFAOYSA-N 301.173 3.255 10 10 DGCE CCCC1=NN(c2ccccn2)C(=O)C1=Cc1ccc(O)cc1 2332099514 BQDCDSOTXMZDSO-UHFFFAOYSA-N 307.353 3.374 10 10 DGCE CN(C[C@H]1C[C@@H]1COc1ccc(N)cc1)C(=O)OC(C)(C)C 1952753685 BPVVZSHFMXLZJW-CHWSQXEVSA-N 306.406 3.151 10 10 DGCE Nc1ccc(C[S@@](=O)c2cccc(Br)c2)cc1 55308740 IKRKVLOWAKZKMX-KRWDZBQOSA-N 310.216 3.339 10 10 DGCE Cc1cccc([C@H]2[C@H](C(=O)O)CCN2C(=O)OC(C)(C)C)c1O 1952824930 FYDMBZVAOOADFZ-OLZOCXBDSA-N 321.373 3.083 10 10 DGCE Cc1ccccc1-c1nnc(CN(C)c2ccc3c(c2)OCO3)o1 121264737 JWWXRTXCKHGSOU-UHFFFAOYSA-N 323.352 3.410 10 10 DGCE C[C@H](N[C@H](C)c1ccc(F)cc1O)c1ccc2c(c1)CC(=O)N2 185107851 FUSNEALYFTYDTP-WDEREUQCSA-N 314.360 3.438 10 10 DGCE Cc1cnn(CCN[C@@H](C)c2cc(Br)ccc2O)c1 185842465 VEGNUEUASPDQPL-NSHDSACASA-N 324.222 3.010 10 10 DGCE Nc1ccc(CCC(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 40306690 RNJAELJXKSYPFC-LBPRGKRZSA-N 300.324 3.002 10 10 DGCE C[C@@H](CN(C)Cc1ccccc1)N[C@H](C)c1cc(O)ccc1O 381015879 UQTZCBFOHNTJIQ-LSDHHAIUSA-N 314.429 3.269 10 10 DGCE NCc1ccc(N2CC3CCC2CC3)c(F)c1Br 381510918 PIEAPCQMYMSJRH-UHFFFAOYSA-N 313.214 3.426 10 10 DGCE Cc1ccc(O)c([C@H](C)N[C@@H]2CCO[C@@]3(CCSC3)C2)c1 248491865 IXMSDKDPYGHRFX-VBQJREDUSA-N 307.459 3.406 10 10 DGCE Oc1cccc2c(NC(=S)NCc3ccccn3)cccc12 244321765 XIUXCWXFKWFOAU-UHFFFAOYSA-N 309.394 3.427 10 10 DGCE O=C(NCc1cccc(-c2cccnc2)c1)c1cccc(O)c1O 369312407 OLDLINJWCSKDJE-UHFFFAOYSA-N 320.348 3.090 10 10 DGCE Cc1cc(CCNCc2nccn2C)c(C)n1-c1ccccc1 727642722 GFLWKMWYMSGHNG-UHFFFAOYSA-N 308.429 3.160 10 10 DGCE Cc1csc(C2(NCc3cc4c(cc3O)OCO4)CCC2)n1 725851476 RPSRYJBEEWTCOQ-UHFFFAOYSA-N 318.398 3.055 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 739024943 OBJGQUVNGYHZFG-YQQAZPJKSA-N 301.434 3.083 10 10 DGCE C[C@@](CC(=O)O)(NCc1ccc(N2CCCCC2)cc1)C1CC1 901949563 HAMYONKILFYYFS-IBGZPJMESA-N 316.445 3.410 10 10 DGCE CN(C)c1ccc(/C=C/CNCC[C@H](O)c2ccccc2)cc1 835052456 CDPRUZRXGTWUPJ-YJJPMGAVSA-N 310.441 3.479 10 10 DGCE C[C@@H]1C[C@@H](N(C)C/C=C\c2ccc(N(C)C)cc2)CCN1C 835026371 RYKOAQRJASQUJP-VAQJZUQRSA-N 301.478 3.180 10 10 DGCE C[C@@H](Cc1ccco1)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 832437282 YPKIBGPDXZRLBI-UONOGXRCSA-N 300.402 3.402 10 10 DGCE CN(C)c1ccc(/C=C\CNCC2CCN(C3CC3)CC2)cc1 835051023 ADYACCMYFZFYSZ-ARJAWSKDSA-N 313.489 3.230 10 10 DGCE Cc1cc(O)c(CNC[C@@H](C)Cn2ccnc2C)c(Cl)c1 840891947 GQUXUQQHQBNSRE-GFCCVEGCSA-N 307.825 3.285 10 10 DGCE C[C@H](O)[C@@H](NCc1c(O)cccc1Cl)c1ccccc1F 846018270 SGQDPFRSZKOVON-MGPLVRAMSA-N 309.768 3.396 10 10 DGCE CCCC[C@@](C)(CO)NCc1cccc(Br)c1O 842745747 FUTYHBWHQREBHA-AWEZNQCLSA-N 316.239 3.186 10 10 DGCE C[C@@H](N[C@@H]1CCN(c2ccc(F)cc2)C1)c1ccccc1O 840896628 JIVRHIGSBZXXPD-UKRRQHHQSA-N 300.377 3.461 10 10 DGCE O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CC12CCCC2 758369943 VQRSKGQRIKSLCM-QGZVFWFLSA-N 313.445 3.419 10 10 DGCE Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCc1c(O)cccc1F 928705510 KQJOMGIFSSEKLB-QWRGUYRKSA-N 305.374 3.321 10 10 DGCE COC(=O)/C=C/c1ccc(N2C[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 853719237 KTKARXUTJGQPOB-CYUPMTOZSA-N 316.357 3.160 10 10 DGCE CC(C)C[C@H]1C[C@@H](NC(=O)N[C@@H](C)c2ccccc2O)CCO1 868479846 LKCUIUHFTXQGDW-KKUMJFAQSA-N 320.433 3.346 10 10 DGCE COc1ccc(CNC[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)cc1C 1894536239 CGCNUXUGTQJDPM-GJZGRUSLSA-N 320.433 3.006 10 10 DGCE CCC(NC(=O)/C=C/c1ccc(O)c(O)c1)(C1CC1)C1CC1 862685926 KVJFTLDIAONAHV-ONNFQVAWSA-N 301.386 3.196 10 10 DGCE Cc1cc(Br)c(O)c(CN[C@@H]2C[C@H](C)O[C@H]2C)c1 865690138 WERYCQCSIZZWTI-OUJBWJOFSA-N 314.223 3.119 10 10 DGCE CCCCOc1ccccc1NC[C@@H](O)C[C@@](C)(O)C1CC1 872210491 BMWRFVTWXGFUIW-MAUKXSAKSA-N 307.434 3.189 10 10 DGCE COc1cc(C)cc(CN[C@H](C)c2ccccc2[N+](=O)[O-])c1O 894369666 BCOIPTUURMFZLS-GFCCVEGCSA-N 316.357 3.468 10 10 DGCE C[C@H]1CC[C@@]2(CCN(C(=O)NCc3ccc(N(C)C)cc3)C2)C1 781610061 QYJSXZALQUSLOG-HNAYVOBHSA-N 315.461 3.474 10 10 DGCE CC(C)[C@@H]1CC[C@@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1 796703704 UIBDHQLCXNYVLE-WMZOPIPTSA-N 320.452 3.311 10 10 DGCE Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccccc3C)C2)c(O)c1O 799035727 JVKPMTIQPXVDEG-HDJSIYSDSA-N 311.381 3.391 10 10 DGCE CCOc1ccc(O)c(CN2CCC=C(Br)C2)c1 799737033 SHOFNMJBEQIJQE-UHFFFAOYSA-N 312.207 3.275 10 10 DGCE Cc1c(C(=O)N[C@@H](C)c2ccccc2O)oc(=O)c2ccccc12 1302538010 CWQGNAAGWXOXIK-LBPRGKRZSA-N 323.348 3.298 10 10 DGCE CC[C@@H](C)Oc1cc(NCCc2ccc(O)c(O)c2)nc(C)n1 1185611986 RIDQQNUUEKTSFS-LLVKDONJSA-N 317.389 3.028 10 10 DGCE C/C(=C\c1cccnc1)C(=O)N1C[C@H](CCN)Cc2ccccc21 1341253813 ALTNLRPSYGHNGB-GSPCDJLXSA-N 321.424 3.039 10 10 DGCE O=C(/C=C\c1ccccc1F)NCc1ccc2cccnc2c1O 1299726012 PQVPXKKSWYOHCQ-KTKRTIGZSA-N 322.339 3.409 10 10 DGCE CC(C)(C)c1csc(NC(=O)Cc2ccc(O)c(O)c2)n1 1468074485 WOVJNJVMWSXCDP-UHFFFAOYSA-N 306.387 3.033 10 10 DGCE CC(C)[C@@H]1C[C@H]1CNC(=O)c1cc2cc(O)c(O)cc2s1 1627693260 DXKLYWLSCYTOAA-QWRGUYRKSA-N 305.399 3.334 10 10 DGCE CC[C@H](C[C@H](C)O)NC(=O)c1sccc1-n1c(C)ccc1C 1558010375 YQAHHCWWKSGNDG-UONOGXRCSA-N 320.458 3.435 10 10 DGCE Cc1noc(-c2ccccc2C(=O)N[C@@H](C)c2ccccc2O)n1 1635799336 ZKHGNTYYQVZWSF-NSHDSACASA-N 323.352 3.242 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)N1Cc2ccc(Cl)cc2C1 1638818952 MDNYMHVLGNNOKX-QHHAFSJGSA-N 315.756 3.307 10 10 DGCE C[C@H](CCNC(=O)c1c(F)ccc(O)c1O)c1ccccc1 1648745805 VPYBXULCNNIYDY-LLVKDONJSA-N 303.333 3.161 10 10 DGCE O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cc2cc(O)c(O)cc2s1 1646376765 BONFSYSGNFSCND-MXWKQRLJSA-N 317.410 3.479 10 10 DGCE COc1ccc(N(CC(=O)NCC(C)(C)C)CC(C)C)cc1 1654767058 JFGPNPBCMXXYFH-UHFFFAOYSA-N 306.450 3.320 10 10 DGCE COc1ccc(Br)c(CN[C@H]2CC[C@H]2C)c1O 1964061769 KBVUJXBVBLDYQP-KCJUWKMLSA-N 300.196 3.051 10 10 DGCE CC(C)OC(=O)Oc1cccc2c1C(=O)c1ccccc1C2=O 5125225 RFPMYDODCDJJLI-UHFFFAOYSA-N 310.305 3.386 10 10 DGCE COc1ccccc1/C=C/C(=O)NCc1ccc(N(C)C)cc1 8170853 MRNUHCPMGAZADZ-JLHYYAGUSA-N 310.397 3.091 10 10 DGCE CC[C@@H](N)Cc1cnc(SCCOCCC2CC2)s1 2127763266 KABFLUWBYMETRE-GFCCVEGCSA-N 300.493 3.332 10 10 DGCE CCCc1nc(Br)cc(OCc2ccc(N)cc2)n1 2128243913 FUQLTJSUUIVFMP-UHFFFAOYSA-N 322.206 3.353 10 10 DGCE O=C(O)C=Cc1ccc(N2CC[C@H]3C[C@H]32)cc1Br 1912069654 UPVITVWDEWMOPL-GXFFZTMASA-N 308.175 3.146 10 10 DGCE CC(C)(CO)N(Cc1ccccc1)C(=O)Nc1ccc(N)cc1 1915798435 BNKQYVURYDSPQR-UHFFFAOYSA-N 313.401 3.074 10 10 DGCE CC[C@]1([C@@H](N)c2ccccc2O)CCN(C(=O)OC(C)(C)C)C1 1936970336 KZZIDXCWWXVPRG-YJBOKZPZSA-N 320.433 3.429 10 10 DGCE Oc1ccccc1CNC1[C@H]2CC[C@H]1CN(Cc1ccccc1)C2 1949704243 KMSOMMFRUFOOJQ-OALUTQOASA-N 322.452 3.392 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@H]1[C@H]2COCC[C@@H]21 1972262984 OZDOANSEBKWIDF-UTUOFQBUSA-N 302.201 3.071 10 10 DGCE CN(C)c1ccc([C@H](O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 1977956876 BFWLTXCQLOJBGK-HOTGVXAUSA-N 320.433 3.186 10 10 DGCE CN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(N)cc1 1977978750 KSTAFUNHOCWCQD-CQSZACIVSA-N 319.449 3.352 10 10 DGCE C[C@H](N(Cc1ccccc1)c1ccc(CN)c(F)c1)C(C)(C)O 1980733246 MGCYWBSYNNGZCJ-AWEZNQCLSA-N 316.420 3.450 10 10 DGCE C[C@H](N[C@H]1CC[C@@H]1NC(=O)OC(C)(C)C)c1ccc(F)cc1O 1986714312 ZBVUTSLAWGBEAM-BPNCWPANSA-N 324.396 3.238 10 10 DGCE CN(C)c1ccc([C@@H](O)[C@@H]2CCN(Cc3ccccc3)C2)cc1 1988153559 WIGSOVYXGARUPV-UYAOXDASSA-N 310.441 3.308 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccccc2N)[C@H]1C1CC1 1991052573 IPJBWCJFTMSSBQ-HZPDHXFCSA-N 317.433 3.469 10 10 DGCE Cc1ccc(O)c(CN[C@@H](C)C(C)(C)NC(=O)OC(C)(C)C)c1 1991719993 NNAXCGNZUVKITK-ZDUSSCGKSA-N 322.449 3.482 10 10 DGCE CN(Cc1ccc(N)cc1)Cc1csc(C(F)(F)F)n1 2148886688 BNOUCBIQJDZCLI-UHFFFAOYSA-N 301.337 3.376 10 10 DGCE NCc1cc(F)c(N2CCC(=CBr)C2)cc1Cl 2008208273 BFXLUIGBEQTNLJ-UHFFFAOYSA-N 319.605 3.427 10 10 DGCE CO[C@H]1C[C@@H](N(C)c2ccc([C@@H](C)N)cc2Br)C1 2038792102 PREPNNLSQQCJDP-JLLWLGSASA-N 313.239 3.082 10 10 DGCE C[C@H](O)CC(C)(C)CNCc1cc(Br)ccc1O 304307298 MVASPVXSQPAYMM-JTQLQIEISA-N 316.239 3.041 10 10 DGCE COc1cc(Cl)cc(CN[C@H]2CCCSCC2)c1O 709587402 NDJCHTNILYJZFY-LBPRGKRZSA-N 301.839 3.430 10 10 DGCE Oc1ccc(Cl)cc1CNC1(C(F)(F)F)CCOCC1 2168288637 XBONGMAWIWHTQQ-UHFFFAOYSA-N 309.715 3.247 10 10 DGCE C[C@H](N[C@H]1CS[C@@H](C(F)(F)F)C1)c1cc(O)ccc1O 2189223168 POJXFTMVZRRYLW-JOAULVNJSA-N 307.337 3.185 10 10 DGCE Cc1ccn([C@H](C)CC(=O)NCc2c(O)ccc3ccccc23)n1 1597742542 NFIUXBLTBPIVFW-CQSZACIVSA-N 323.396 3.318 10 10 DGCE CN(c1ccc(CO)cc1F)[C@@H]1CS[C@@H](C(F)(F)F)C1 2189473752 LHGNSLQRUPKARZ-JOYOIKCWSA-N 309.328 3.191 10 10 DGCE CC[C@@](C)(CN(C)Cc1cc(Br)ccc1O)OC 2066248841 ZTNOMCOBDQKFJL-AWEZNQCLSA-N 316.239 3.402 10 10 DGCE CCNCc1ccc(N(C)Cc2ccon2)c(Br)c1 2104163097 DGANPZSCSNIPFU-UHFFFAOYSA-N 324.222 3.183 10 10 DGCE C[C@H]1C[C@]1(F)CN(C)c1ccc(CN)c(Br)c1F 2085434722 FUTQZLKGBXEYTB-SDBXPKJASA-N 319.193 3.231 10 10 DGCE CNCc1ccc(N2C[C@H]3[C@H](C)C[C@H]3C2)cc1Br 2085508342 UQDQCEFCPZEGCU-OSMZGAPFSA-N 309.251 3.261 10 10 DGCE CN[C@@H](c1ccccc1O)[C@@]1(C)C=CCN1C(=O)OC(C)(C)C 2211738987 JFKNXIDPTPPCQC-MAUKXSAKSA-N 318.417 3.218 10 10 DGCE COc1ccc(Br)c(CNc2cnsc2)c1O 2214882571 IJAZDSCKZBYLMA-UHFFFAOYSA-N 315.192 3.232 10 10 DGCE CC[C@@H]1CC[C@H]1NCc1c(Br)ccc(OC)c1O 2220462765 QOTWUZVFHDCUCV-BXKDBHETSA-N 314.223 3.442 10 10 DGCE COc1c(C(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])csc1Cl 2268924862 ZAWJSANSHRZLGC-YUMQZZPRSA-N 300.771 3.371 10 10 DGCE OCc1ccc(N2CCC[C@H](OCC(F)F)C2)c(Cl)c1 2279242314 LNBHQANSGBQRCS-NSHDSACASA-N 305.752 3.083 10 10 DGCE CSc1ncc(CNc2cc(C(F)(F)F)cc(=N)[nH]2)s1 2284721177 JZCXTGAJWXRWSV-UHFFFAOYSA-N 320.365 3.303 10 10 DGCE CCCC1=NN2C(=N)C(=Cc3ccccc3C)C(=O)N=C2S1 2296394108 XJIZTJBRIRJDSK-UHFFFAOYSA-N 312.398 3.414 10 10 DGCE CN[C@H](C)c1ccc(N2CC(c3nncs3)C2)c(Cl)c1 2285446615 CZBGJSVQSOXZGI-SECBINFHSA-N 308.838 3.076 10 10 DGCE COc1ccc(N2CCC(CO)(C(F)F)CC2)cc1Cl 2289939658 OQDOZYZJFKAXIB-UHFFFAOYSA-N 305.752 3.193 10 10 DGCE CC(C)Oc1cccc(C=CC(=O)NCCc2ccc(N)cc2)c1 2301696484 BLNCKMDVAGODIE-UHFFFAOYSA-N 324.424 3.428 10 10 DGCE CCOc1ccc(C=C2C(=O)N(C)N=C2c2ccccc2)cc1 2332122278 LWQPDKZRSNKLAS-UHFFFAOYSA-N 306.365 3.345 10 10 DGCE COc1cc(Cl)cc(CN2C[C@@H]3C[C@H]2C(F)(F)C3)c1O 2354215325 DKBYXBFMJCAYPW-PELKAZGASA-N 303.736 3.284 10 10 DGCE CN(CCC(=O)Nc1ccc(N)cc1)Cc1ccc(Cl)s1 48971408 YTLYDJYSRABMCO-UHFFFAOYSA-N 323.849 3.444 10 10 DGCE Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(O)cc1Cl 70334338 CZDWHGCRRIHDTE-UHFFFAOYSA-N 315.753 3.294 10 10 DGCE CC[C@@H](C(=O)O)N1CC2(CCCC2)Nc2cc(OC)ccc21 76931045 ZBWQRTNZMWSVMG-AWEZNQCLSA-N 304.390 3.103 10 10 DGCE COC(=O)[C@H](NCCN=[N+]=[N-])c1cccc(Cl)c1Cl 90257069 YSPYFAJCUWOHSR-SNVBAGLBSA-N 303.149 3.107 10 10 DGCE CCOC(=O)[C@@](C)(NCCCN=[N+]=[N-])c1cccc(Cl)c1 90259988 ZUKFLYFFOSEYPS-AWEZNQCLSA-N 310.785 3.408 10 10 DGCE CCOc1ccc(O)c(CN2CCCC[C@H](N3CCCC3)C2)c1 92785821 UAMJPHZYIMVRCB-KRWDZBQOSA-N 318.461 3.241 10 10 DGCE COc1ccc(CN2CCO[C@@](C)(c3ccccc3)C2)c(O)c1 93342014 LRCVZLOGQJGHDS-LJQANCHMSA-N 313.397 3.148 10 10 DGCE Cc1ccc(O)c(CN2CCC[C@H]2CNC(=O)OC(C)(C)C)c1 93757741 SPEZCWCBXLIJFU-HNNXBMFYSA-N 320.433 3.190 10 10 DGCE CC1=NN(c2ccccc2)C(=O)/C1=C/NOCc1ccccc1 103738921 UHUIVJNONTWXKC-SFQUDFHCSA-N 307.353 3.014 10 10 DGCE COc1cccc2c(C)c(C(=O)NCCc3ccc(N)cc3)oc12 152529631 HCIUKEOAPAAARG-UHFFFAOYSA-N 324.380 3.305 10 10 DGCE C[C@H](NCCc1cc(F)cc2c1OCOC2)c1ccccc1O 154194693 SZRUNRXFFBKNTP-LBPRGKRZSA-N 317.360 3.291 10 10 DGCE O=C1N=C(Nc2ccccc2)S/C1=C\c1cccc2nccn12 180309308 KMDMKFJJCZPVPU-KAMYIIQDSA-N 320.377 3.417 10 10 DGCE CC1(C)CC[C@@H](CNCc2cccc(Br)c2O)O1 189728292 RULPSZVBYOGNOO-NSHDSACASA-N 314.223 3.202 10 10 DGCE CN1CCc2cc(CNCC[C@@](C)(O)c3ccccc3)ccc21 189836788 YNIUREWLJOQFSA-HXUWFJFHSA-N 310.441 3.066 10 10 DGCE CCCCN/C(C)=C1/C(=O)N(c2ccc(OC)cc2)N=C1C 205931731 ZGSWLAXTMXOSPK-FOWTUZBSSA-N 301.390 3.081 10 10 DGCE CC[C@H](N[C@@H](C)[C@@H](O)CC)c1cc(Br)ccc1O 386749369 GEVRDNJJGNHPTB-XDTLVQLUSA-N 316.239 3.355 10 10 DGCE CC[C@H](N=c1cc(C)n(C)[nH]1)c1cc(Br)ccc1O 394101540 CSIWYRARXPRGML-LBPRGKRZSA-N 324.222 3.182 10 10 DGCE Cc1c(C)n(C)c2ccc(OCCOC3CCOCC3)cc12 629372186 VNJSOJXIFGILKO-UHFFFAOYSA-N 303.402 3.370 10 10 DGCE CN(C[C@]1(C)CC1(F)F)c1ccc(CO)cc1Br 689350261 LHSIENYIFZUAPM-LBPRGKRZSA-N 320.177 3.423 10 10 DGCE CCNCc1ccc(N2CCC[C@@H](F)C2)cc1Br 689462672 OUCUXBJBTSRCTB-GFCCVEGCSA-N 315.230 3.497 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCC[C@H]2COC[C@@H]21 690783889 YPICMJUKXPVRDT-ZANVPECISA-N 302.201 3.310 10 10 DGCE N[C@H]1CC=C(CN2CCCc3cc(Br)ccc32)C1 713301585 BTOQGIWJAPRTIW-AWEZNQCLSA-N 307.235 3.249 10 10 DGCE C[C@H](N)c1ccc(N(C)CC2CSC2)c(Br)c1 718265153 DZZXGRYHPSYNEV-VIFPVBQESA-N 315.280 3.268 10 10 DGCE C[C@@H]1C[C@H](N(C)Cc2c(O)cccc2Br)CCO1 721484327 XUDGEEQBDJUXON-GHMZBOCLSA-N 314.223 3.154 10 10 DGCE CO[C@@H]1CC[C@H]1N(C)c1ccc([C@@H](C)O)c(Br)c1 724151598 SPZLWQAZJPZJBZ-OWYVNGRQSA-N 314.223 3.116 10 10 DGCE CC(C)OC(=O)N1CCC(N[C@H](C)c2ccc(F)cc2O)CC1 756705193 DOVAXORVFOHANB-GFCCVEGCSA-N 324.396 3.191 10 10 DGCE C/C=C\C[C@H](NCc1c(O)ccc(Cl)c1F)C(=O)OCC 763367324 ZOXVMXRRQJLXAM-FHMRSRPSSA-N 315.772 3.172 10 10 DGCE C[C@@H](NC(=O)c1cccc2nccnc12)c1ccc(N(C)C)cc1 773017261 VCGYLTHRVSUKQE-CYBMUJFWSA-N 320.396 3.187 10 10 DGCE O=C(Nc1ccccc1)C1(NCc2cccc(Cl)c2O)CC1 779226482 SCHDANHSCFELDH-UHFFFAOYSA-N 316.788 3.307 10 10 DGCE COC(C)(C)CCN(Cc1ccccc1O)C[C@@H]1CCCO1 787259974 MKCCREFCAXAPFW-INIZCTEOSA-N 307.434 3.188 10 10 DGCE C[C@H](O)CCCN1CCCc2cc(OC(F)(F)F)ccc21 789335925 KKVDCZDNGZEKME-NSHDSACASA-N 303.324 3.499 10 10 DGCE Oc1cc2c(cc1CN1CCC=C(Br)C1)CCC2 799573365 BOXDQSSLMJULIU-UHFFFAOYSA-N 308.219 3.365 10 10 DGCE CC1(C)CC[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)O1 807837706 AKFSRTVBXHCQOZ-NSHDSACASA-N 318.200 3.273 10 10 DGCE C[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)C[C@](C)(C(F)F)O1 827955367 FXQACTMZSDIDTK-XLKFXECMSA-N 323.742 3.429 10 10 DGCE CCOc1ccc(CNCc2ccc([C@H](C)N)cc2)c(O)c1 841029340 PYFRVIUXORGVQG-ZDUSSCGKSA-N 300.402 3.100 10 10 DGCE CCOc1ccc(CN[C@@H](C)[C@@](C)(O)c2ccccc2)c(O)c1 846039244 PZRPHYZVIJPBKZ-IFXJQAMLSA-N 315.413 3.177 10 10 DGCE C/C(=C\c1cccnc1)C(=O)N1C[C@H](N(C)C)Cc2ccccc21 846864811 DXNFXYFQQPGZMQ-HAZIXKIPSA-N 321.424 3.004 10 10 DGCE C/C(=C/c1ccccn1)C(=O)N(C)Cc1ccc(N(C)C)cc1 847304067 FVRBCFQAISUDAB-SQFISAMPSA-N 309.413 3.210 10 10 DGCE CC[C@H](NC[C@H](OC)[C@@H]1CCOC1)c1cccc(Cl)c1O 850485215 ZAZKYQOSPFDZAO-UGFHNGPFSA-N 313.825 3.138 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3C[C@H]3CC(C)C)C2)cc1 855224785 HCMIIVZBCHKWJY-RVKKMQEKSA-N 316.445 3.072 10 10 DGCE CCC/C(C)=C/C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855228901 FVHAEMWPLWZTGF-OKFGHLOFSA-N 302.418 3.137 10 10 DGCE COC(=O)/C=C\c1ccc(N2CC(CC3CC3)C2)c([N+](=O)[O-])c1 856789772 KTAVCVDJMCIRAE-ALCCZGGFSA-N 316.357 3.017 10 10 DGCE CCOc1ccc(O)c(CN[C@@]2(CO)CCCC(C)(C)C2)c1 858250132 ACFHLLCVBRUHPM-SFHVURJKSA-N 307.434 3.212 10 10 DGCE COc1cccc([C@@H](C)NC[C@H]2CCN2C2CCCC2)c1O 858531724 JLUUDQDWUBRQFY-UKRRQHHQSA-N 304.434 3.068 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)C1CC2(CSC2)C1 865026897 CERBHSNBNOAGLD-UHFFFAOYSA-N 318.486 3.244 10 10 DGCE O=C([C@@H]1C[C@H]1c1cc(F)ccc1F)N1Cc2cccc(O)c2C1 871202476 IMYHXWHEODKGCG-GXTWGEPZSA-N 315.319 3.316 10 10 DGCE CO[C@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)C(C)(C)C 896774220 GTNLSSSWTXTRQF-CQSZACIVSA-N 323.414 3.103 10 10 DGCE O=C(N[C@@]12CCCC[C@@H]1C2)c1cc2cc(O)c(O)cc2s1 899163432 HHYPRABTXNKTQL-QLJPJBMISA-N 303.383 3.375 10 10 DGCE C[C@@H](NCc1cc(C(F)(F)F)nn1C)c1ccc(F)cc1O 926929664 YYNUBNCXTPMQKZ-MRVPVSSYSA-N 317.286 3.134 10 10 DGCE Cc1ccc([C@H](C)NC[C@H]2CCC3(CCOCC3)O2)c(O)c1 927015890 RMXOSOZWFBUWDW-LSDHHAIUSA-N 305.418 3.079 10 10 DGCE CC1(C)C[C@H](CNC(=O)N2Cc3cccc(O)c3C2)C(C)(C)O1 927633137 SBEGLKYIGIWIIT-CYBMUJFWSA-N 318.417 3.011 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)c1ccc(Cl)c(O)c1 1146247309 JQWKRMWGWMGZRB-UHFFFAOYSA-N 312.152 3.335 10 10 DGCE Clc1nc(Sc2ncc(Cl)s2)c2nc[nH]c2n1 1187169364 YEZVFOZYPPGKEW-UHFFFAOYSA-N 304.187 3.267 10 10 DGCE CN(CC(=O)Nc1ccc(Cl)c(F)c1)Cc1ccccc1O 1473233411 MOKBNMJTCGCJPN-UHFFFAOYSA-N 322.767 3.255 10 10 DGCE C[C@H](NC(=O)COc1ccc(Cl)cc1)c1ccccc1O 1587447294 OGLIGBLIZPQZOV-NSHDSACASA-N 305.761 3.302 10 10 DGCE CCCC[C@@H](O)CCC(=O)NCc1ccc(N2CCCC2)cc1 1624321667 GHSOWGUGIDJHDJ-GOSISDBHSA-N 318.461 3.234 10 10 DGCE C[C@H](NC(=O)NCc1cccc2[nH]ccc12)c1ccccc1O 1684903565 RYUTYJFKPNAXCS-LBPRGKRZSA-N 309.369 3.434 10 10 DGCE CCOc1ccc(C)cc1[C@@H](C)NC(=O)Cc1ccc(N)cc1 1865955299 KSHJREGOKOXIQG-CQSZACIVSA-N 312.413 3.396 10 10 DGCE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)[C@@H]1CCCS1 1889642847 VKPUUERUBJDADS-XIRDDKMYSA-N 316.470 3.187 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[C@@]21[C@H](N)c1ccccc1O 1895623149 CRJVIOYGGPGWHH-XKLVTHTNSA-N 318.417 3.085 10 10 DGCE CN(CCN=[N+]=[N-])CC(=O)Nc1cc(Cl)ccc1Cl 1912199378 RMTWFJLAGJWZSM-UHFFFAOYSA-N 302.165 3.174 10 10 DGCE CCN(c1ccc(CO)cc1)[C@@H]1CCN(Cc2ccccc2)C1 1915067168 LGICEVBMCIMJOM-HXUWFJFHSA-N 310.441 3.280 10 10 DGCE CCC1(NCc2cc(C)ccc2O)CN(C(=O)OC(C)(C)C)C1 1922217108 WQRZASWDWRSNGN-UHFFFAOYSA-N 320.433 3.190 10 10 DGCE Cc1cccc(N)c1N[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 1959371345 MHHDKBKXJXDFDV-OLZOCXBDSA-N 305.422 3.435 10 10 DGCE COCCNCc1sc(Sc2nccs2)nc1Cl 2037785394 OJTXKFDUJFDTSM-UHFFFAOYSA-N 321.880 3.140 10 10 DGCE CN1CCc2cc([C@H](O)c3cc(Br)co3)ccc21 2049660546 UZOXFMLIZQAOHB-AWEZNQCLSA-N 308.175 3.116 10 10 DGCE NCc1cc(F)c(N2C[C@H]3CC=C[C@H]2C3)cc1Br 2057016349 PHVFQGWSVVEHIY-ONGXEEELSA-N 311.198 3.202 10 10 DGCE Cc1ccnc(CN2CCC[C@@H]2CN=[N+]=[N-])c1Br 2059060100 ULQUXCGXCIRTTJ-SNVBAGLBSA-N 310.199 3.427 10 10 DGCE CCNCc1ccc(N(C)C[C@@H]2C[C@@H]2F)c(Br)c1 2068042219 AQRAQIQGKDXUFO-AAEUAGOBSA-N 315.230 3.353 10 10 DGCE Cc1cccc(Cn2nc(CN)c(Cl)c2C(F)(F)F)c1O 2079208425 QZUCUKVQVJOKAE-UHFFFAOYSA-N 319.714 3.076 10 10 DGCE CCc1nn(Cc2c(O)cccc2Cl)c(N)c1C1(C)CC1 2079684705 UKPVIYRYLZCWHT-UHFFFAOYSA-N 305.809 3.487 10 10 DGCE CC(C)N[C@]1(CO)C[C@H](C)C[C@@H](Sc2nccs2)C1 2118785969 LDFFYQKPTFBNND-YRGRVCCFSA-N 300.493 3.153 10 10 DGCE CCN[C@@H](c1ccc2c(c1)CCN2C)c1cc(Cl)ns1 2167194241 LONNRZQNPVXVPA-HNNXBMFYSA-N 307.850 3.488 10 10 DGCE C[C@H]1CN(c2ccc(OC(F)(F)F)c(Cl)c2)C[C@H]1CN 2169434177 LBNUBFGTRTVNQP-DTWKUNHWSA-N 308.731 3.270 10 10 DGCE CCN[C@@H](C)c1ccc(N2CCO[C@H](CF)C2)c(Cl)c1 2172041742 PLKSYBNVTCALGB-WCQYABFASA-N 300.805 3.185 10 10 DGCE CN(C[C@H]1C(F)(F)C12CC2)c1cc(Cl)c(CN)cc1F 2177386088 VTPNTXAUJZAVDV-GFCCVEGCSA-N 304.743 3.419 10 10 DGCE C[C@@H](N)c1ccc(N2CC[C@H](c3nncs3)C2)cc1Cl 2196550238 ZUJMTRVUIZPMQA-ZJUUUORDSA-N 308.838 3.205 10 10 DGCE Cc1cc([C@@H](C)O)ccc1N1CC(N(C)Cc2ccccc2)C1 2212702530 YFKMODSCOBEQQG-MRXNPFEDSA-N 310.441 3.369 10 10 DGCE COc1ccc(Br)c(CNC[C@]2(C)C[C@@H]2C)c1O 2220462729 QELZBIRSEPVEOO-XPTSAGLGSA-N 314.223 3.299 10 10 DGCE CN[C@@H](C)c1ccc(N2CC[C@H](OC(F)F)C2)cc1Cl 2238877556 FUWCIJAONZWWGB-ONGXEEELSA-N 304.768 3.438 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)C2(C)Oc1ccc(N)cc1 2244329600 AUCHGZQNLASEJZ-NCNPBXTDSA-N 318.417 3.293 10 10 DGCE CCCN(C[C@@H](C)O)c1ccc([C@@H](C)O)c(Br)c1 2259764714 TXKIMLSGXRZRBD-GHMZBOCLSA-N 316.239 3.100 10 10 DGCE CSc1ncc(CNc2cc(C(=O)O)cc(Cl)n2)s1 2269095517 YDYSVYYUAAYXKK-UHFFFAOYSA-N 315.807 3.224 10 10 DGCE CCN[C@@H](C)c1cnc(Sc2nc3nccnc3s2)s1 2283823267 JZENEDFKYZBFFD-ZETCQYMHSA-N 323.472 3.365 10 10 DGCE CC(C)CN1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)SC1=S 2296699113 QZAYGQDTFFFKQQ-UHFFFAOYSA-N 322.411 3.452 10 10 DGCE Cc1cc([C@H](C)NC(=O)C=Cc2ccc(O)c(O)c2)c(C)o1 2307986812 DGPAWKHTPNBZKL-NSHDSACASA-N 301.342 3.198 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)c(Br)c1 2308717784 QBRVUQDYADKYDW-FEHBXSEYSA-N 308.219 3.347 10 10 DGCE CCN(CC)c1ccc(CNC(=O)C=Cc2ccc[nH]2)cc1F 2310773486 JEQDLMPOPVIELE-UHFFFAOYSA-N 315.392 3.330 10 10 DGCE C[C@H]1CN[C@@H](C2CC2)CN1c1ccc(OC(F)(F)F)cc1 86178801 IYXSQZMYNAABIG-IINYFYTJSA-N 300.324 3.162 10 10 DGCE CCN[C@@H]1C(=O)Nc2cc(N(C)C[C@@H]3C[C@@H]3C)c(Cl)cc21 92752350 XSPOEUONNZXPJG-YHAQOWFVSA-N 307.825 3.035 10 10 DGCE COc1ccc(CN2CCO[C@@H](c3cccc(F)c3)C2)c(O)c1 92975877 ALLGKJXUOCMUTG-GOSISDBHSA-N 317.360 3.113 10 10 DGCE COc1ccc(N2CCN(C(=O)C3CCCCCC3)CC2)cc1 101807835 FMUWDOJXHMPJAG-UHFFFAOYSA-N 316.445 3.314 10 10 DGCE COCCCCCN[C@@H](C)c1ccc(N2CCC(O)CC2)cc1 122625951 OQZHIOBAMLQRKV-INIZCTEOSA-N 320.477 3.115 10 10 DGCE CC(C)NCc1ccc(N2[C@@H]3CC[C@@H]2CC(O)C3)c(Cl)c1 164086347 KMWCFZFGIQLHRC-ZIAGYGMSSA-N 308.853 3.330 10 10 DGCE O=C1CC[C@H]2CN(Cc3cc4c(cc3O)OCO4)c3cccc1c32 185629725 APAGQVZMSPWEFM-NSHDSACASA-N 323.348 3.201 10 10 DGCE COc1ccc(O)c([C@@H](C)N[C@H](C)CN2CCCCCC2)c1 186738392 WVUVTCXVVHPOTR-HUUCEWRRSA-N 306.450 3.316 10 10 DGCE CC(C)/C=C/C(=O)NCc1ccc(N2CCSCC2)cc1 194296680 AFCYDEDPZVVSOR-FPYGCLRLSA-N 304.459 3.068 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 217371529 DOXYCUMBHVJOCW-NSHDSACASA-N 309.167 3.364 10 10 DGCE CCOc1ccc(N2CC[C@H]([C@@](C)(O)C(F)(F)F)C2)cc1 250636583 RWQHDVAKLAPLKN-SMDDNHRTSA-N 303.324 3.225 10 10 DGCE COc1ccccc1-c1noc(/C=C\c2ccc(O)c(O)c2)n1 588458099 OQFMBOVSRSGUQA-CLFYSBASSA-N 310.309 3.327 10 10 DGCE Oc1cccc(Br)c1CNOCCC(F)(F)F 706835086 PWTNIWADBBTQJS-UHFFFAOYSA-N 314.101 3.128 10 10 DGCE Nc1ccc(O)c(CN2CCc3cc(Br)ccc32)c1 713305628 UTJOBNVSSIBOLL-UHFFFAOYSA-N 319.202 3.300 10 10 DGCE Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@H]1CCCC12OCCO2 715726131 NMKFXNKEVMHVBX-NFAWXSAZSA-N 303.402 3.134 10 10 DGCE COc1ccc(CNC(=O)Nc2scnc2C2CC2)c(O)c1 797638628 HXHGIXRAWLQPMN-UHFFFAOYSA-N 319.386 3.056 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1ccc(C)s1 808093090 HNZSPTCHDOMXTO-UHFFFAOYSA-N 310.415 3.107 10 10 DGCE CC(=O)C(=O)COC(=O)c1ccc(-c2ccc(C)cc2)cc1F 808516051 XDJFUISTNOUVRC-UHFFFAOYSA-N 314.312 3.116 10 10 DGCE Cc1ccc(O)c(CN2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c1 824636473 QRRXUISUBNFAKA-MJGOQNOKSA-N 315.388 3.001 10 10 DGCE C[C@H](CSCCF)NCc1cc(Br)ccc1O 825893177 QZLDHVHYXASZJV-SECBINFHSA-N 322.243 3.336 10 10 DGCE CC(C)C[C@@H](CCO)CNC/C=C\c1ccc(N(C)C)cc1 835043634 TYANSMARVPZPGN-OOFWQKGWSA-N 304.478 3.400 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)C2(C)C[C@H]3C[C@@H]3C2)cc1 844857339 UGEFNSCEAVLRSX-HUUCEWRRSA-N 316.445 3.026 10 10 DGCE CCOc1cccc(CN[C@H](c2ccccc2)[C@@H](C)O)c1O 850421133 VWLXHRJKXVCUQT-DYVFJYSZSA-N 301.386 3.003 10 10 DGCE Cc1ccncc1CN(C)Cc1c(O)cccc1Br 862351605 RMGQRWHGBLLKKZ-UHFFFAOYSA-N 321.218 3.490 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@@H](C2CCC2)[C@H]2CCCO2)c1 866491741 XHELUQQRFSUASV-RZAIGCCYSA-N 305.418 3.399 10 10 DGCE Cc1ccc(O)c(CNC(=O)[C@]2(c3ccccc3)C[C@@H](F)C2)c1 880837740 SBLSBUAWDJLLCL-RUCARUNLSA-N 313.372 3.387 10 10 DGCE O=C(c1cc2cc(O)c(O)cc2s1)N1C[C@@H]2CCCC[C@@H]21 898442931 ZWBKDECGNWGTSJ-ONGXEEELSA-N 303.383 3.327 10 10 DGCE CCN(CC)c1ccc(CN[C@](C)(CC(=O)O)C2CC2)cc1F 901946437 VBEGHKSGEWKYFN-GOSISDBHSA-N 322.424 3.405 10 10 DGCE OC1(CNCc2ccc3c(c2)CCCO3)CCC(F)(F)CC1 922263178 RECSPYWVKYOSKB-UHFFFAOYSA-N 311.372 3.042 10 10 DGCE C[C@H](NC[C@@H]1CNC[C@H]1C)c1ccc(Cl)c(Cl)c1O 925785883 PTIUVMWUSHZJKW-UTLUCORTSA-N 303.233 3.205 10 10 DGCE Cc1cccc(-n2c(C)cc(CNC(=O)[C@H]3C[C@H]3F)c2C)c1 1132043733 LVUYQOZUPQEWNT-DLBZAZTESA-N 300.377 3.377 10 10 DGCE Cc1ccc(CN(C)C(=O)c2ccc(N=NC(N)=O)cc2)o1 1135595242 NOMVNMSPKLGABF-UHFFFAOYSA-N 300.318 3.023 10 10 DGCE Cc1ccccc1CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 1141437263 QXEVHHLJEQAFQV-UHFFFAOYSA-N 324.384 3.472 10 10 DGCE COc1cccc(CNC(=O)[C@@H]2Cc3ccc(Cl)cc32)c1O 1150543102 IKVYTSKKRSWROR-CQSZACIVSA-N 317.772 3.010 10 10 DGCE CC[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 1163076147 IRHOESBQUJSRAW-ZDUSSCGKSA-N 314.341 3.009 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2ccccc2Br)c1 1301042685 XMTLZTUNKWCEHQ-UHFFFAOYSA-N 320.186 3.393 10 10 DGCE CC[C@@H](C[C@H](C)O)NC(=O)c1sccc1-n1c(C)ccc1C 1558010373 YQAHHCWWKSGNDG-KBPBESRZSA-N 320.458 3.435 10 10 DGCE O=C(COc1ccc(F)cc1Cl)N1Cc2cccc(O)c2C1 1632703875 RDEZUYJCXFPDAE-UHFFFAOYSA-N 321.735 3.106 10 10 DGCE CC(C)[C@@H]1CCC[C@@H](NC(=O)Cc2ccc(O)c(O)c2)CC1 1634581797 FKVPHUSFJSOLHP-HUUCEWRRSA-N 305.418 3.361 10 10 DGCE Cc1cc(C(=O)N[C@@H](C)c2ccccc2O)ccc1-n1cccn1 1642831093 PGDPPUPFYRJIJX-AWEZNQCLSA-N 321.380 3.377 10 10 DGCE O=C(NCc1ccc(O)cc1O)c1cc2ccc(Cl)cc2[nH]1 1643100767 JUUILEHLDBNHSC-UHFFFAOYSA-N 316.744 3.163 10 10 DGCE COC(=O)COc1ccc(N(C)Cc2ccc(C)cc2C)cc1 1645254145 FWNGGCXXEBRBBM-UHFFFAOYSA-N 313.397 3.492 10 10 DGCE CCCN1N=C(c2ccc(OC)cc2)/C(=C\c2ccc[nH]2)C1=O 1865677984 NKYXJXGCIMWKBA-FOWTUZBSSA-N 309.369 3.063 10 10 DGCE CC(C)(C)OC(=O)N1CCC(=O)[C@H]1c1cccc(Cl)c1O 1951858378 VZKCCXOMMLTEMD-GFCCVEGCSA-N 311.765 3.297 10 10 DGCE CO[C@](C)(Cc1ccc(N)cc1)[C@H](C)NC(=O)OC(C)(C)C 1952943482 PKOZXRNKGPURSP-YVEFUNNKSA-N 308.422 3.130 10 10 DGCE CC(C)(C)OC(=O)N1CCSC[C@@H](Nc2ccc(N)cc2)C1 1959350676 GWOOEHJNSFVGGI-AWEZNQCLSA-N 323.462 3.033 10 10 DGCE CN(C[C@H]1CCN(CCCCN=[N+]=[N-])C1)C(=O)OC(C)(C)C 1962298360 DOOZZHYSMUDIKV-CYBMUJFWSA-N 311.430 3.266 10 10 DGCE C[C@H]1C[C@@H](NCc2ccc(F)cc2O)CN1Cc1ccccc1 1964581782 UGFQZSWWOLNYRW-KBXCAEBGSA-N 314.404 3.284 10 10 DGCE CN(C)c1ccc([C@H](O)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 1977956874 BFWLTXCQLOJBGK-CVEARBPZSA-N 320.433 3.186 10 10 DGCE Cc1ccc(O)c(CN[C@@H](C)CCN(C)C(=O)OC(C)(C)C)c1 1980090275 NNPVXDJBSVGLJP-AWEZNQCLSA-N 322.449 3.436 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(N)cc2)C2(CC2)C1 1986936643 AELKBDQPBNIIAB-HNNXBMFYSA-N 317.433 3.470 10 10 DGCE CN(c1ccc(CN)c(Br)c1F)C1[C@@H]2CCC[C@@H]12 2033883649 GXDCSXCCNNNEOO-NXEZZACHSA-N 313.214 3.282 10 10 DGCE CCc1nn(Cc2ccc(Cl)cc2O)c(N)c1C(F)F 2079684846 BMDUUFHLGPHIGV-UHFFFAOYSA-N 301.724 3.373 10 10 DGCE CC[C@H](C)N1CC(NCc2cc(Cl)cc(Cl)c2O)C1 2113006173 QBOVGTRLNDJYNV-VIFPVBQESA-N 303.233 3.271 10 10 DGCE CN(C[C@@H](F)C(F)(F)F)c1cc(Cl)c(CN)cc1F 2123179017 PAMVVBOBRXTNOL-SNVBAGLBSA-N 302.674 3.274 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1CC2(CCC2)[C@H]1O 2140680655 WSQYDPOGIBSVAD-YPMHNXCESA-N 302.201 3.092 10 10 DGCE N[C@H]1CCc2cc(N3CCS[C@@H](C(F)(F)F)C3)ccc21 2184739261 DQJROCUVPLNETA-QWHCGFSZSA-N 302.365 3.117 10 10 DGCE CN[C@H](C)c1ccc(N(C)[C@@H]2CCOC[C@@H]2F)cc1Cl 2186751005 SKBIQCSYCQUSHJ-WKPIXPDZSA-N 300.805 3.184 10 10 DGCE C[C@@H](F)CN1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 2189986380 RJNIATMDZIELIW-SNVBAGLBSA-N 321.223 3.175 10 10 DGCE O=C(O)C12CC(CCN1Cc1cc(Cl)cc(Cl)c1O)C2 2192501647 KQCRUZGBPKLFAF-UHFFFAOYSA-N 316.184 3.138 10 10 DGCE CC=C=CCCNCc1c(Br)ccc(OC)c1O 2208875306 ZOMYLOKNWKTQHJ-UHFFFAOYSA-N 312.207 3.374 10 10 DGCE CC[C@H]1CN[C@@H](C)CN1c1ccc(OC)cc1Br 2221622891 CNSNRXODCRDIHU-QWRGUYRKSA-N 313.239 3.034 10 10 DGCE CN[C@H](C)c1ccc(N2CC(OC(F)(F)F)C2)cc1Cl 2237636564 FNPYZFNWTGLWPV-MRVPVSSYSA-N 308.731 3.345 10 10 DGCE CN(CC1(Cl)CC1)c1c(F)cc(CNC2CC2)cc1F 2237990035 NOSAZSCVYXKWSZ-UHFFFAOYSA-N 300.780 3.424 10 10 DGCE C[C@H]1SCC[C@H]1NCc1cc(OC(F)(F)F)ccc1O 2361044298 WWOFGDNIIJKIRT-LDYMZIIASA-N 307.337 3.274 10 10 DGCE CCCC(CCC)C(=O)NC1=NN(c2ccccc2)C(=O)C1 8906526 OIXNTPDHSMWWHT-UHFFFAOYSA-N 301.390 3.069 10 10 DGCE CC1(CNC(=O)NCc2ccc(N3CCCC3)cc2)CCC1 176648235 SRFYHGANEDLSGZ-UHFFFAOYSA-N 301.434 3.276 10 10 DGCE CCN[C@H]1C(=O)Nc2cc(N(CC)CC3CC3)c(Cl)cc21 118706629 SXUUYDBGNRVGAT-OAHLLOKOSA-N 307.825 3.179 10 10 DGCE COc1ccc(OC)c(CCN[C@@H](C)c2ccccc2O)c1 183459398 FJDMMSXFNYTMEX-ZDUSSCGKSA-N 301.386 3.303 10 10 DGCE CO[C@@H](C)c1cccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1 180742708 MQBAAZPIPBNNLK-CRALRDPISA-N 313.353 3.457 10 10 DGCE CCN(C)c1ccc([C@@H](C)N[C@H](C)C(=O)NC(C)(C)C)cc1 247125798 VCDANFXPEDOFOH-ZIAGYGMSSA-N 305.466 3.097 10 10 DGCE CN(C)c1ccc(CN2C[C@H](c3ccsc3)[C@@H](CO)C2)cc1 250123713 VWQFOJBOABFWHY-SJLPKXTDSA-N 316.470 3.022 10 10 DGCE CC(=O)C(=O)COC(=O)CCCc1ccc(Cl)c(Cl)c1 808506389 JXXQGLUEACLWCM-UHFFFAOYSA-N 317.168 3.017 10 10 DGCE CCOc1cccc(CN2CCOC[C@H]2CC2CCC2)c1O 816667291 IZJNXFJKCJTHPR-MRXNPFEDSA-N 305.418 3.182 10 10 DGCE CC[C@H](N[C@H]1CNCC[C@@H]1C)c1ccc(C(F)(F)F)cc1O 817969518 VWDJPONNEHHOJN-BPNCWPANSA-N 316.367 3.450 10 10 DGCE CCN(C)c1ccc(CN[C@](C)(c2noc(C)n2)C2CC2)cc1 815123892 JUFUDIADXVFOIW-SFHVURJKSA-N 314.433 3.249 10 10 DGCE C[C@H](N[C@H]1CCNC[C@@H]1C)c1cc(Cl)c(Cl)cc1O 817969231 AAWDAGMUEPNMFB-RVBZMBCESA-N 303.233 3.348 10 10 DGCE COC(=O)/C(C)=C/CSc1ncc(-c2ccccc2)n1C 742206122 AOWSQFWFWIRBLI-FMIVXFBMSA-N 302.399 3.299 10 10 DGCE COC(=O)c1cnc(SCc2nc(C(C)C)ns2)s1 917779071 XGBHVJWUEDKRSQ-UHFFFAOYSA-N 315.445 3.197 10 10 DGCE COc1cccc(CNC(=S)Nc2cc(C)ccc2C)n1 748044481 CMAHCPSAYFYVDK-UHFFFAOYSA-N 301.415 3.194 10 10 DGCE CCOC(=O)C1=CC[C@H](N[C@@H](C)c2c(C)cc(C)cc2O)C1 858509899 TYANLBHEJPPQJU-ZFWWWQNUSA-N 303.402 3.312 10 10 DGCE O[C@@H]1C[C@H](NCc2ccc(N3CCCCC3)cc2)C12CCC2 850389002 RLLGTFYFXVAOLM-ZWKOTPCHSA-N 300.446 3.070 10 10 DGCE C[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)c1ccncc1 865031320 LTYDSBWNHUCJAR-MRXNPFEDSA-N 323.440 3.492 10 10 DGCE CC[C@@H]1NCC[C@H]1N[C@@H](C)c1cc(Cl)c(Cl)cc1O 863542018 DGLSPYLAHTYKNU-AQUOVQTQSA-N 303.233 3.490 10 10 DGCE Cc1nc(NC(=O)NCCCSc2nccs2)cs1 762229974 XFYIQZOVEYMMMX-UHFFFAOYSA-N 314.461 3.212 10 10 DGCE CN1CCCc2cc(CNC(=O)N3CCCC34CCC4)ccc21 770444004 CSNVGEPCUWYPNR-UHFFFAOYSA-N 313.445 3.297 10 10 DGCE Oc1cc(Br)ccc1CNC[C@H]1C[C@]12CC2(F)F 1876068570 HQGAZVITDJPTQH-SKDRFNHKSA-N 318.161 3.290 10 10 DGCE CCOc1ccc(CN2CCC[C@H]([C@H]3CCOC3)C2)c(O)c1 770374373 MXFJSPUFQPRGLD-HOCLYGCPSA-N 305.418 3.039 10 10 DGCE Cc1cncc(/C=C\C(=O)N2CCOc3c(Cl)cccc32)c1 772168992 KZVTXIOCANNFJN-WAYWQWQTSA-N 314.772 3.482 10 10 DGCE Cc1cccc(CO[C@H](C)C(=O)N2Cc3cccc(O)c3C2)c1 871207030 IRWVKLCRCHSCQP-CQSZACIVSA-N 311.381 3.148 10 10 DGCE CCOc1ccc(O)c(CN2CCC[C@@H]([C@H]3CCOC3)C2)c1 770377266 ZDOVDLWKJIYLQG-CABCVRRESA-N 305.418 3.039 10 10 DGCE CC1(C)CC[C@H](C(=O)NCc2ccc(N3CCCCC3)cc2)O1 784936498 GCVZAWWGWHIAJR-QGZVFWFLSA-N 316.445 3.251 10 10 DGCE CN(Cc1ccccc1O)C(=O)C[C@H]1CCC2(CCC2)CO1 895756649 YYDKBOYROTVBHI-OAHLLOKOSA-N 303.402 3.090 10 10 DGCE CC(C)N(C[C@@H](C)O)c1ccc([C@H](C)O)cc1Br 691521705 SOPVKPLECGVVOA-MNOVXSKESA-N 316.239 3.098 10 10 DGCE CC[C@@H]1[C@@H](Nc2ccccc2N)CCN1C(=O)OC(C)(C)C 1959359780 PVVPHDSVZNEPOW-LSDHHAIUSA-N 305.422 3.469 10 10 DGCE CN(CCCCN=[N+]=[N-])C[C@H]1CCN(C(=O)OC(C)(C)C)C1 1962305566 UBNDOIBPXKFLMC-CYBMUJFWSA-N 311.430 3.266 10 10 DGCE CO[C@@H]1CC[C@H](NC(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 1326202959 YDDOLDYAMSVDSO-FUHWJXTLSA-N 312.413 3.391 10 10 DGCE CC/C=C(\C)C(=O)N[C@H]1C[C@@H](NCc2ccc(OC)c(C)c2)C1 1266669874 MCPMWMRPCAZLRG-GIWLZJNWSA-N 316.445 3.097 10 10 DGCE COc1ccc(N(Cc2ccccc2)[C@@H](C)CO)c(OC)c1C 2246034429 JPIHJUOAYGZAQK-AWEZNQCLSA-N 315.413 3.400 10 10 DGCE Cc1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)c(F)c1F 1519265776 MOTQICQTCZWCMA-UHFFFAOYSA-N 322.330 3.408 10 10 DGCE CO/C(=C/c1ccccc1)C(=O)NCc1cc(Cl)ccc1O 1452934731 DCNQJEISRLUDIK-CXUHLZMHSA-N 317.772 3.349 10 10 DGCE COC(=O)COc1ccc(N(C)C[C@@H]2CCCC(C)(C)O2)cc1 1459939663 YRRDEHOCIFHNGC-INIZCTEOSA-N 321.417 3.022 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)c1c(F)ccc(F)c1F 1469876614 IKLAHGPOCFYKEA-UHFFFAOYSA-N 315.678 3.393 10 10 DGCE Cc1cc(F)cc(C(=O)N[C@@H](C)c2ccccc2O)c1[N+](=O)[O-] 1557967360 ABVDGGOOTDOTBE-JTQLQIEISA-N 318.304 3.239 10 10 DGCE CN(Cc1ccccc1O)C(=O)Cc1ccc2cnccc2c1 1635658062 GOZJWCVOMKQWAJ-UHFFFAOYSA-N 306.365 3.142 10 10 DGCE C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)Cc1ccc(O)c(O)c1 1636974094 QAUZRERZJRHXIV-TZMCWYRMSA-N 305.418 3.314 10 10 DGCE O=C(c1cccc(-n2cccc2)c1)N1Cc2cccc(O)c2C1 1643169040 NAGAALXGTNKTSW-UHFFFAOYSA-N 304.349 3.339 10 10 DGCE C[C@H](NC(=O)c1c(F)ccc(O)c1O)c1cccc(F)c1F 1648669819 UCUADGAVJBXWFG-ZETCQYMHSA-N 311.259 3.006 10 10 DGCE Cc1cc(OCC(=O)NCc2c(O)cccc2F)ccc1Cl 1596912213 MYBOKRSMRNYOGS-UHFFFAOYSA-N 323.751 3.188 10 10 DGCE CC[C@H]1CCCC[C@@H]1CNC(=O)NCc1cccc(OC)c1O 1681591789 KNURERYNUPDXRR-UONOGXRCSA-N 320.433 3.416 10 10 DGCE C[C@@H](NC(=O)NCc1ccccc1O)[C@H]1CC2CCC1CC2 1686933501 PJAXFHDPNDXESO-UWLZSVRSSA-N 302.418 3.406 10 10 DGCE C[C@@H]1CN(c2ccc(CN)cc2C(F)(F)F)CC(C)(C)O1 163706051 GYHPALQTBUGSOA-SNVBAGLBSA-N 302.340 3.168 10 10 DGCE C[C@@H]1[C@@H](C)[C@@](N)(c2ccccc2O)CCN1C(=O)OC(C)(C)C 1903272969 QIMBHCPWNSGERY-SNUQEOBHSA-N 320.433 3.212 10 10 DGCE CN(C)[C@H]1CCCC[C@@H]1Nc1c(N)cccc1Br 1921761038 ULILCTWKLAAUOM-STQMWFEESA-N 312.255 3.316 10 10 DGCE C[C@@H](N[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1O 1936011558 YJPYUWWVWUCLMC-MCIONIFRSA-N 320.433 3.346 10 10 DGCE Nc1ccc(CN2CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 2003107891 HEUSKCWXMGZSLO-WOJBJXKFSA-N 321.468 3.223 10 10 DGCE CC(C)(C)OC(=O)N1CC([C@@H]2CCCN(CCCN=[N+]=[N-])C2)C1 1982248267 RTDAIVCFRBFNPG-CYBMUJFWSA-N 323.441 3.266 10 10 DGCE C[C@H](N)c1ccc(N2C[C@@H](F)C[C@@H]2C)cc1Br 1997690903 GATARPSHFJSYBE-GUBZILKMSA-N 301.203 3.406 10 10 DGCE Oc1cccc(Br)c1CN1C[C@@H](F)C[C@H](F)C1 2011416744 YEIHWYBXRIRBCX-IUCAKERBSA-N 306.150 3.037 10 10 DGCE C[C@H](O)c1ccc(N2CCOCC[C@@H]2C)cc1Br 2031689438 RTWQHFZUMBDSGB-QWRGUYRKSA-N 314.223 3.118 10 10 DGCE CNCc1ccc(N2CC[C@@H](C)[C@@H](F)C2)cc1Br 2034806938 FUNKVLDYPKOOCV-YGRLFVJLSA-N 315.230 3.353 10 10 DGCE C[C@H]1CC[C@@H](N(C)Cc2cccc(Br)c2O)CO1 401534381 RCTIXDLHDFSAPA-CMPLNLGQSA-N 314.223 3.154 10 10 DGCE CC(C)N[C@]1(C(=O)O)CCC[C@H](CSc2nccs2)C1 403809344 MCRHQKGIAQJKTR-SMDDNHRTSA-N 314.476 3.247 10 10 DGCE C[C@@H](c1cc(Cl)ccc1O)N1CCO[C@H](C(F)F)CC1 687289885 ZQBAAXYQLMKONB-ZANVPECISA-N 305.752 3.463 10 10 DGCE COC(=O)c1cc(-c2ccccc2)nn1Cc1ccc(C)cc1O 2070010421 SOOPZDWDRZKSFD-UHFFFAOYSA-N 322.364 3.399 10 10 DGCE COc1cnn([C@@H](C)c2cc(C)ccc2O)c1Br 2070289954 WWIDZOGRSNEJHT-VIFPVBQESA-N 311.179 3.278 10 10 DGCE C[Si]1(C)CCN(CCNCc2c(O)cccc2Cl)CC1 2184634442 OJQVENVWUDDEGH-UHFFFAOYSA-N 312.917 3.159 10 10 DGCE Cc1ccc(Br)c(CN2CCC[C@H]2CN=[N+]=[N-])n1 2059049554 BXOXEVAXUISFMV-JTQLQIEISA-N 310.199 3.427 10 10 DGCE Cc1cccc(CN=c2ccc(Br)c(C)[nH]2)c1O 2084055937 BWIBELSYNQNNAX-UHFFFAOYSA-N 307.191 3.201 10 10 DGCE CC(C)CNCc1cnc(SC[C@@H]2CCCOC2)s1 2099108884 IEXJIXBNNRTQNM-GFCCVEGCSA-N 300.493 3.407 10 10 DGCE COc1ccc(N(Cc2ccccc2)CC(C)(C)O)c(OC)c1 2210910217 OYCRXCVWTDSYOU-UHFFFAOYSA-N 315.413 3.481 10 10 DGCE CC1(C)[C@H]2C[C@H]2CN1c1ccc(CN)c(Br)c1F 2257012090 DZLBWKHDJSXXKO-UWVGGRQHSA-N 313.214 3.282 10 10 DGCE CSc1ncc(CNc2c(F)c(F)nc(F)c2F)s1 2269276497 FLRRUAFSJWFGQY-UHFFFAOYSA-N 309.313 3.429 10 10 DGCE CSc1ncc(CN2C[C@@H](C(C)C)NC[C@@H]2C(C)C)s1 2284676276 HIUZFFKAEOXMQZ-UONOGXRCSA-N 313.536 3.319 10 10 DGCE CSc1ncc(CNC[C@@H]2CC[C@H](N)[C@@H](C)C2(C)C)s1 2284708636 BVECFUXIPAZCMR-MDZLAQPJSA-N 313.536 3.354 10 10 DGCE CCC1=NN(Cc2cccc(F)c2)C(=O)C1=Cc1cccnc1 2332128527 AXNXMCTZHQSTQT-UHFFFAOYSA-N 309.344 3.413 10 10 DGCE CCNCc1ccc(N2C[C@@H]3C[C@H]2[C@H]2C[C@@H]23)c(Br)c1 2329270794 JBPUXCZDSHIQKX-ZWUHOBOKSA-N 321.262 3.403 10 10 DGCE CCc1cnc(CNCc2ccc(C)c(Br)c2O)[nH]1 2352672468 RKPTZXMDLSEYNH-UHFFFAOYSA-N 324.222 3.038 10 10 DGCE Cc1ccc(CN(C)c2cnc(C)n2C)c(O)c1Br 2352947420 IFFALOFXWBKZLU-UHFFFAOYSA-N 324.222 3.141 10 10 DGCE CCCC1=NN2C(=N)/C(=C\c3ccc(C)cc3)C(=O)N=C2S1 5859512 AFNCQWOUIZFADU-ZOXWBLRNSA-N 312.398 3.414 10 10 DGCE COc1cccc(/C=C2/SC(=S)N(C(C)C)C2=O)c1OC 34262375 FHLUVHYMCPPASZ-XYOKQWHBSA-N 323.439 3.313 10 10 DGCE Cc1cccn2c(/N=N\c3ccc4c(c3)OCO4)c(C(=O)O)nc12 71581950 FJCXVDDMKZTEDH-HNENSFHCSA-N 324.296 3.485 10 10 DGCE COCCn1c(C)cc(/C=C2\C(=O)N(C)c3ccccc32)c1C 78268079 FSFAOBPDWJXVJP-ATVHPVEESA-N 310.397 3.268 10 10 DGCE CN(Cc1ccc(F)c(F)c1)Cc1cc([N+](=O)[O-])ccc1O 170908382 RMVIGXUVKSXRAP-UHFFFAOYSA-N 308.284 3.211 10 10 DGCE O=C(CC[C@H]1CCCOC1)NCc1c(O)ccc2c1CCCC2 175966932 DDKBMCQCLBYOQZ-CQSZACIVSA-N 317.429 3.094 10 10 DGCE O=C1NC(=S)S/C1=C\c1ccc(-c2ccncc2)cc1F 178886859 VTTCWHLMXIMRPV-JYRVWZFOSA-N 316.382 3.377 10 10 DGCE CCN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@@H](C)c1cccnc1 181090115 BCMHVRHUOKYCLN-XOVSCCBYSA-N 312.369 3.116 10 10 DGCE COc1cc(OC)cc(N(C)C(=O)/C=C/c2cncc(C)c2)c1 188233390 MPMFCQVQRMBLPH-AATRIKPKSA-N 312.369 3.083 10 10 DGCE CO[C@@H]1CC[C@H](NC(=O)c2cc(C)n(-c3ccccc3)c2C)C1 189178483 MCGWAHCNVSDPEN-DOTOQJQBSA-N 312.413 3.391 10 10 DGCE COc1ccc2ccc(O)c(CN3CC[C@H](C)[C@@H](OC)C3)c2c1 190188595 XICPVVLCPDKUTQ-DJJJIMSYSA-N 315.413 3.411 10 10 DGCE C[C@H](N[C@@H](C)[C@@H](O)c1ccc(F)cc1)c1ccc(F)cc1O 248495582 KZDQPTDBDSDKBH-PSVSLLHZSA-N 307.340 3.443 10 10 DGCE CC[C@H](N[C@H](CC)[C@H](O)C(F)F)c1cccc(Cl)c1O 296607219 WAPDYUVPKLFGRG-LOWVWBTDSA-N 307.768 3.491 10 10 DGCE CS[C@@H]1CC[C@H]1NCc1cccc(Br)c1O 309900530 HLJIZCHEVKWTRN-GHMZBOCLSA-N 302.237 3.138 10 10 DGCE Cc1ncc(C)c(N2CC=C(c3c[nH]c4ncccc34)CC2)n1 564225271 DDQMPQYAUHFFOQ-UHFFFAOYSA-N 305.385 3.263 10 10 DGCE Nc1ccc(CCN2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc1 687232961 HWNIEYUTZAMSNO-OYRHEFFESA-N 321.468 3.160 10 10 DGCE CN(Cc1ccc(Br)cc1O)[C@@H]1COC(C)(C)C1 691680493 MDRWECUJOXDKJB-LBPRGKRZSA-N 314.223 3.154 10 10 DGCE C[C@H]1C[C@H](NCc2cc(Br)ccc2O)C[C@@H](C)O1 694798848 BNKUIQPJOSACDW-DDFAGTSDSA-N 314.223 3.200 10 10 DGCE CC1(C)SC[C@H]1NCc1cc(Br)cc(F)c1O 715817175 DYZJOGBNXDDFKM-SNVBAGLBSA-N 320.227 3.277 10 10 DGCE C[C@@H](NCc1c(O)cccc1Br)c1ccns1 716032222 BKXCVPHMCNUDPK-MRVPVSSYSA-N 313.220 3.462 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)C[C@H](C)n2cccc2)c1 729535887 WGWLYPNQPHNIAP-QWHCGFSZSA-N 302.374 3.031 10 10 DGCE O=C(NCCCC1CC1)NCc1c(O)ccc2c1CCCC2 743622112 WXPYWHFYXPSMKQ-UHFFFAOYSA-N 302.418 3.260 10 10 DGCE CN1CCCc2cc(/C=C3/N=C(c4cccs4)OC3=O)ccc21 748044552 GEUTWRARSWRLRT-SDNWHVSQSA-N 324.405 3.475 10 10 DGCE COc1cnccc1[C@@H](C)NCc1cc(Cl)cc(F)c1O 783743785 JWYVLDVVWIOJCT-SECBINFHSA-N 310.756 3.439 10 10 DGCE O=[N+]([O-])c1ccc(O)c(CNCCc2cccc3[nH]ccc23)c1 800295241 DFSJAUFXVRBTDT-UHFFFAOYSA-N 311.341 3.114 10 10 DGCE COc1ccc(N2CCCN(C(=O)[C@H]3CCC3(C)C)CC2)cc1 822919857 PBHLFEMIXDABSQ-QGZVFWFLSA-N 316.445 3.170 10 10 DGCE C[C@H](N[C@H]1c2sccc2OC(C)(C)[C@@H]1O)c1ccccc1O 840797713 WXZSWMHCTMKMDF-JMPLFQLZSA-N 319.426 3.378 10 10 DGCE CC(C)[C@H]1CCCC[C@@H]1NC(=O)NCCc1ccc(N)cc1 841787525 CXAXRNSMCHDQQL-SJORKVTESA-N 303.450 3.325 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@H]1CCNC12CCCC2 843129039 PLZRMTAJLUXMBN-ZDUSSCGKSA-N 315.244 3.463 10 10 DGCE Cc1cc(N(C)C)ccc1CN[C@@H](C)[C@](C)(O)c1ccccc1 846043059 JIJFZTRUGODAHK-JXFKEZNVSA-N 312.457 3.447 10 10 DGCE C[C@H](NC[C@@]1(CO)CCc2ccccc21)c1ccc(N(C)C)cc1 846177716 FILMTLTZOUALIC-HRAATJIYSA-N 324.468 3.280 10 10 DGCE C[C@@H]1C[C@H](NCCO[C@@H]2CC2(F)F)c2c(O)ccc(F)c21 850521333 RZPLKHXSAKPTGX-UBHAPETDSA-N 301.308 3.093 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2C[C@@]3(C)COC[C@@]3(C)C2)c1O 852463803 VOTUIGVJLYBCQH-CALCHBBNSA-N 323.820 3.107 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](c1ccccn1)C1CCC1 862744832 IBYGHYFBCYBXNO-RQMBKDMJSA-N 324.380 3.164 10 10 DGCE Cc1ccc(O)c(CNC(=O)C[C@H]2CCOc3ccccc32)c1 862761007 ZVBRWYTVTQRJAC-CQSZACIVSA-N 311.381 3.273 10 10 DGCE CCN(C)c1ccc([C@H](C)N[C@@H]2[C@H]3C[C@@H]4CO[C@@H]2[C@H]4C3)cc1 866444834 KORJKWXVXNENAP-RDJPOBJMSA-N 300.446 3.217 10 10 DGCE O=C(NCc1cc(Br)ccc1O)[C@]12CCCC[C@@H]1C2 868306999 LDBJUHVCTHENKU-ABAIWWIYSA-N 324.218 3.351 10 10 DGCE Cc1csc([C@H](C)CNC(=O)N[C@@H](C)c2ccccc2O)n1 868496104 CUWWOBWAMPZLAP-PWSUYJOCSA-N 319.430 3.321 10 10 DGCE C[C@H]1C[C@@H](C)CN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 895464934 KVCQORIEYQZOMS-AOOOYVTPSA-N 305.399 3.431 10 10 DGCE OC[C@@H]1C[C@H]2CC[C@H]1N(Cc1cc(Cl)cc(Cl)c1O)C2 895925248 YYHZMTXNMIYVDV-OLUVUFQESA-N 316.228 3.292 10 10 DGCE CC1(C)OC[C@@H](CN2CCCc3cc(OC(F)F)ccc32)O1 1167717192 MZPJSQVILDVIJG-CYBMUJFWSA-N 313.344 3.192 10 10 DGCE Nc1cc(Cl)c(Cl)cc1C(=O)N1Cc2cccc(O)c2C1 1175037771 LFTVRBXYZXARGX-UHFFFAOYSA-N 323.179 3.437 10 10 DGCE Cc1cc(CNC(=O)N2C[C@@H]3C[C@H]3C2)c(C)n1-c1ccccc1 1234336428 IXVJKGDQUOAQRC-IRXDYDNUSA-N 309.413 3.255 10 10 DGCE Cc1cc(CC(=O)NOCCC2CC2)c(C)n1-c1ccccc1 1468412743 DAPNWKBNCOKXBV-UHFFFAOYSA-N 312.413 3.485 10 10 DGCE CC(C)[C@@]1(C)C[C@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 1468806865 BCIBEODESPBHCF-GDBMZVCRSA-N 305.399 3.477 10 10 DGCE CCCCOCC(=O)N(C)Cc1ccc(N2CCCC2)cc1 1525107424 RMIJIWKGCGZIRK-UHFFFAOYSA-N 304.434 3.062 10 10 DGCE Cc1ccc(C(=O)NCc2ccc3ccccc3c2)c(O)c1O 1545063447 MMJSEIJEIHKBRS-UHFFFAOYSA-N 307.349 3.489 10 10 DGCE CCN(CC)c1ccc(CNC(=O)c2ccc(O)cc2F)cc1 1630469827 MKYDVZOPVLMDRX-UHFFFAOYSA-N 316.376 3.308 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCC=CO1 1630709667 LWQKKWNFEFIZKR-QGZVFWFLSA-N 302.418 3.182 10 10 DGCE O=C(NCc1cccc(Cl)c1O)N[C@@H]1C[C@H]2C=C[C@H]1CC2 1638628486 JCHXNOAYVNJORT-COPLHBTASA-N 306.793 3.200 10 10 DGCE COCc1ccccc1C(=O)NCc1ccc2cccnc2c1O 1639621438 DXBVWAJLFPQAEU-UHFFFAOYSA-N 322.364 3.017 10 10 DGCE CCc1ccc(NC(=O)c2ccc(C)c(O)c2O)cc1OC 1640860547 PEADONSLNGELQX-UHFFFAOYSA-N 301.342 3.230 10 10 DGCE CCn1ncc(CN(CCC(C)C)c2ccc(OC)cc2)n1 1645501901 XSVHQUHOJLCAGQ-UHFFFAOYSA-N 302.422 3.359 10 10 DGCE O=C(/C=C/c1ccc2[nH]ccc2c1)NCc1c(O)cccc1F 1652297918 BIWFNPKDKHIKDR-FNORWQNLSA-N 310.328 3.342 10 10 DGCE CCOc1ccc(N(CC2CC2)C[C@@H]2CCC3(COC3)O2)cc1 1655333199 IBONTYKLZNDILQ-SFHVURJKSA-N 317.429 3.250 10 10 DGCE CCC(=O)Nc1ccc(C(=O)Nc2cccc(N(C)C)c2)cc1 1859146757 HKODBKYNDJHYLN-UHFFFAOYSA-N 311.385 3.353 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1C[C@H](COc2ccc(N)cc2)[C@@H]2C[C@H]12 1897329981 PLWSSTUVNGNQJM-IPOQPSJVSA-N 318.417 3.197 10 10 DGCE CC1(C)CN(Cc2cc(Cl)cc(Cl)c2O)C[C@H]1CN 1913115795 WIDRAXSKDDUFLO-SNVBAGLBSA-N 303.233 3.116 10 10 DGCE CC[C@@H](CCNC(=O)OC(C)(C)C)NCc1ccccc1O 1928443786 JDXSRHRTDOVOBJ-AWEZNQCLSA-N 308.422 3.175 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@]1(C)[C@H](N)c1ccccc1O 1936967288 GDPKFGSFMAAWQT-IIDMSEBBSA-N 320.433 3.476 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1[C@H](N)c1ccccc1O 1939914839 DKCDSSQKOBAIDY-YXAMBPQSSA-N 318.417 3.038 10 10 DGCE CC(C)(C)OC(=O)N[C@]1(c2c(N)cccc2O)CC=CCC1 1953070602 AZKGMVWRAUYECK-QGZVFWFLSA-N 304.390 3.435 10 10 DGCE Oc1c(Br)cccc1CNCc1conc1C1CC1 1967736076 KDYYPTJCLGACQG-UHFFFAOYSA-N 323.190 3.310 10 10 DGCE CN(CC1[C@@H]2CCC[C@@H]12)c1ccc(CO)cc1Br 2032795816 UHAUPJIBVSMUOW-VXGBXAGGSA-N 310.235 3.424 10 10 DGCE COc1ccc([C@H](C)NCC2(Br)CCC2)c(O)c1 2049203788 FDROPCWIDFIVMS-JTQLQIEISA-N 314.223 3.369 10 10 DGCE CC[C@@H](CN(C)c1ccc([C@H](C)N)c(Br)c1)OC 2068254602 QXFYMXSGRMQQQM-JQWIXIFHSA-N 315.255 3.330 10 10 DGCE CC(C)(C)OC(=O)c1ccnn1Cc1cc(Cl)ccc1O 2069982962 YAGOSYNNKVNXGL-UHFFFAOYSA-N 308.765 3.246 10 10 DGCE CC(C)(C)OCC1CN(c2cc(Cl)c(CN)cc2F)C1 2177384550 AUPXMFXELFIFGF-UHFFFAOYSA-N 300.805 3.189 10 10 DGCE CO[C@H]1CCC[C@@H](N(C)c2cc(Cl)c(CN)cc2F)C1 2187274428 ZFOJWBIRKMEIMZ-NEPJUHHUSA-N 300.805 3.332 10 10 DGCE Cc1ccc([C@H](C)Nc2cn(C)nc2Br)c(O)c1 2223017089 GQSSUXGPPKLITJ-VIFPVBQESA-N 310.195 3.370 10 10 DGCE Cc1nn(C)c(CN(C)c2ccc(CO)cc2Cl)c1Cl 2240934876 NOVIXSGJIFMQIE-UHFFFAOYSA-N 314.216 3.164 10 10 DGCE Nc1ncc(F)cc1OCc1c(F)cccc1Br 2260878795 CEQOUYIODULGNR-UHFFFAOYSA-N 315.117 3.284 10 10 DGCE COCCNCc1cnc(SCCC2CC(F)C2)s1 2270230022 CYMQGHDDRWRSQF-UHFFFAOYSA-N 304.456 3.109 10 10 DGCE CO[C@@H]1C[C@@H](CF)N([C@@H](C)c2cc(Cl)c(C)cc2O)C1 2286445314 SFFMEDGUNONJKU-SDDRHHMPSA-N 301.789 3.474 10 10 DGCE O=C(O)C=Cc1ccc(N2CCSC2)c(Br)c1 2303457193 SRZZLYYAONNBSP-UHFFFAOYSA-N 314.204 3.058 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)Nc1cccc(-c2cc[nH]n2)c1 2307990561 ZHJZJDCAABSCBO-UHFFFAOYSA-N 321.336 3.140 10 10 DGCE CN(C[C@H]1C[C@@H](F)C1)c1cc(Br)c(CN)cc1F 2327504340 WKTQQTWOIGFGDY-WAAGHKOSSA-N 319.193 3.231 10 10 DGCE CCOc1ccc(C=C2C(=O)N(CC)N=C2C(F)(F)F)cc1 2332122164 BASWZBNYGZUDMZ-UHFFFAOYSA-N 312.291 3.249 10 10 DGCE Cc1ccc(CN[C@@H]2[C@@H]3[C@H]4C[C@@H]5[C@H]([C@H]43)[C@@H]52)c(O)c1Br 2352947052 PEBKZXVNKYTCIW-HPRNSEAXSA-N 320.230 3.063 10 10 DGCE C[C@H]1C[C@@H]2C(=O)N(c3c(Cl)cc(N)cc3Cl)C(=O)[C@@H]2C1 2353865807 BJNICLHIHVANOK-VJKWBMGZSA-N 313.184 3.111 10 10 DGCE CC(C)N[C@@](CO)(CSc1nccs1)[C@H]1CC12CCC2 2371154823 PZVZMASJOPMUDB-WFASDCNBSA-N 312.504 3.155 10 10 DGCE Nc1ccc(OCC(=O)N2CCC[C@@H]2c2cccs2)cc1 38055751 GRSDLJWXVBPSHT-CQSZACIVSA-N 302.399 3.073 10 10 DGCE COc1ccc(N2CC[C@@H](CNC3CCCCC3)C2)c(OC)c1 76375709 ISGKIBFIDYLURB-HNNXBMFYSA-N 318.461 3.452 10 10 DGCE N[C@H]1CCCN(c2ccc(OCCC(F)(F)F)cc2F)C1 87439521 PYHLVIFWDTUREH-JTQLQIEISA-N 306.303 3.084 10 10 DGCE Cc1ccc(O)c(CN2CCC(C(=O)N[C@H](C)C(C)C)CC2)c1 92755016 BDHATKXMBYXFCT-OAHLLOKOSA-N 318.461 3.073 10 10 DGCE CC(C)c1ccc(NC(=O)[C@@]23CC[C@@H](C(=O)C2=O)C3(C)C)cc1 101103837 HJZQMQMWHBDSBO-IFXJQAMLSA-N 313.397 3.323 10 10 DGCE CCOC(CNCc1cc(Cl)cc(Cl)c1O)OCC 112016865 XIVPZCFZTQBWDL-UHFFFAOYSA-N 308.205 3.188 10 10 DGCE Cc1cccc(CNCc2ncc(-c3ccccc3)cn2)c1O 184442957 SRLVOJDPFSTEKR-UHFFFAOYSA-N 305.381 3.447 10 10 DGCE C[C@H](N)c1ccc(N2CC[C@@H]3[C@@H](CCCN3C)C2)cc1Cl 220911293 KTAQKCFMVDNBRZ-GDZNZVCISA-N 307.869 3.280 10 10 DGCE C[C@@H](N)c1ccc(N2CC[C@@H](N3CCCCC3)C2)cc1Cl 227328952 SRHOVVKEUVWLGN-UKRRQHHQSA-N 307.869 3.424 10 10 DGCE CC(C)(C)OC(=O)NC1(CNCc2cccc(F)c2O)CCC1 230392387 FUJYCSRAYDDSLL-UHFFFAOYSA-N 324.396 3.068 10 10 DGCE CO[C@H]1CCCN(c2ccc([C@@H](C)N)c(Br)c2)C1 234829651 AUSYUVRURLZDQX-PWSUYJOCSA-N 313.239 3.084 10 10 DGCE CC(=O)N(C(=S)N1[C@@H](C)CCC[C@@H]1C)c1ccc(N)cc1 243320011 LMSZDUDWBSBJEX-RYUDHWBXSA-N 305.447 3.170 10 10 DGCE Cc1cncc(/C=C\C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)c1 255283889 XNLDFTGIOVXNNC-DAXSKMNVSA-N 323.352 3.291 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C1=COCCC1 264399868 ASIDCBCSLDLPKE-UHFFFAOYSA-N 302.418 3.184 10 10 DGCE CC[C@H](NCCc1cn[nH]c1)c1cc(Br)ccc1O 289978303 XUBFNAOGQSFENF-ZDUSSCGKSA-N 324.222 3.161 10 10 DGCE CCC1(CNCc2cc(Cl)c(F)cc2O)CCOCC1 293722508 VREJMBVYVSRROY-UHFFFAOYSA-N 301.789 3.481 10 10 DGCE C[C@H](N)c1ccc(N2C[C@H]3C[C@H]2CN3Cc2ccccc2)cc1 309672689 KJEGVDLQZGANEI-BEVDRBHNSA-N 307.441 3.169 10 10 DGCE CCN(c1ccc([C@H](C)N)c(Br)c1)[C@@H]1CCOC1 310885485 OMNPMOMCDWVSGN-CMPLNLGQSA-N 313.239 3.084 10 10 DGCE Cc1nc([C@H]2CCCCN2Cc2cccc(Cl)c2O)no1 378440777 CIWOAFBIYRPISN-CYBMUJFWSA-N 307.781 3.464 10 10 DGCE CC(C)NCc1ccc(N2CC(OC(F)F)C2)cc1Cl 398916998 YMTPCYYFXBHYJV-UHFFFAOYSA-N 304.768 3.266 10 10 DGCE COc1ccc(O)c([C@@H](C)NC[C@H]2CCN2C2CCCC2)c1 528004800 XLDZSUJHIWTLFY-UKRRQHHQSA-N 304.434 3.068 10 10 DGCE Nc1ccc(N2CCN(Cc3ccsc3Cl)C2=O)cc1 687988323 WFEVCGIYNHYSSR-UHFFFAOYSA-N 307.806 3.426 10 10 DGCE CC[C@@H](NCC1(O)Cc2ccccc2C1)c1ccc(N(C)C)cc1 766094437 JUPGMAUMNOARNN-HXUWFJFHSA-N 324.468 3.323 10 10 DGCE CCN(C)c1ccc(CN2CCOC[C@H]2c2ccco2)cc1 773750630 DPNTULXHNCLXJL-KRWDZBQOSA-N 300.402 3.309 10 10 DGCE C[C@H](NC(=O)NC[C@H]1CCC(C)(C)O1)c1ccc(N(C)C)cc1 777637173 HAAFAIJASFRGCM-XJKSGUPXSA-N 319.449 3.070 10 10 DGCE COc1ccc2ccc(O)c(CN3CCOCC4(CC4)C3)c2c1 782300603 JELGWSYSLWYHIM-UHFFFAOYSA-N 313.397 3.166 10 10 DGCE CO[C@H](CCN[C@H](C)c1ccc(N(C)C)cc1)C(F)(F)F 786953859 NPYOILYRWTZALZ-BXUZGUMPSA-N 304.356 3.371 10 10 DGCE C[C@@H](NC(=O)c1c(F)ccc(O)c1O)c1ccccc1Cl 789938976 KHFKDAWAIRINNG-MRVPVSSYSA-N 309.724 3.381 10 10 DGCE Oc1cc(F)c(Cl)cc1CNC[C@H]1COc2ccccc2O1 816530926 AIFXARGTBKNNND-NSHDSACASA-N 323.751 3.114 10 10 DGCE CS[C@H]1CC[C@@H]1NCc1ccc(N2CCSCC2)cc1 822452052 VGRDGRAQWOCTCY-HOTGVXAUSA-N 308.516 3.223 10 10 DGCE CCN(CC)c1ccc(CNC2(CF)CCOCC2)cc1F 824690812 MLGGKUJBBSANPM-UHFFFAOYSA-N 312.404 3.280 10 10 DGCE C[C@H](NC(=O)NC[C@H](C)CC(F)F)c1ccc(N(C)C)cc1 826530171 CMZVTVJYMHXJCM-NEPJUHHUSA-N 313.392 3.404 10 10 DGCE CN(C/C=C/c1ccc(N(C)C)cc1)Cc1nccn1C(F)F 835025312 HTCUVASNFQEULR-SNAWJCMRSA-N 320.387 3.489 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@H]3CC(C)(C)OC3(C)C)C2)cc1 850489146 RHUKUEQWUOZKKR-PBHICJAKSA-N 318.461 3.210 10 10 DGCE Oc1c(F)cc(F)cc1CN1CCCC[C@@H]1[C@@H]1CCC[C@H]1O 894885374 BPDXNFGRTRKGGN-NUEKZKHPSA-N 311.372 3.186 10 10 DGCE COc1cccc(CN2CCC[C@]2(C)C(=O)OC(C)(C)C)c1O 895408503 CXKJCZQYQUUGAZ-GOSISDBHSA-N 321.417 3.097 10 10 DGCE O=C(NC[C@@H]1CCC[C@H]2C[C@H]21)c1cc2cc(O)c(O)cc2s1 1147563681 IMICCDGVOCUDPS-JBLDHEPKSA-N 317.410 3.479 10 10 DGCE O=[N+]([O-])c1c[nH]cc(Cl)c1=NCc1cccc(Cl)c1O 1164341476 HJKGIKYRQBFRON-UHFFFAOYSA-N 314.128 3.036 10 10 DGCE COc1ccc(N(CCc2ccccc2)CC[S@](C)=O)cc1 1167880711 DSHOMZHHZBTUDU-QFIPXVFZSA-N 317.454 3.123 10 10 DGCE Cc1ccc(F)c(OCC(=O)N[C@H](C)c2ccccc2O)c1 1171723691 XLBCHMUDGQSEGD-GFCCVEGCSA-N 303.333 3.096 10 10 DGCE O=C(NCc1c(O)cccc1F)c1ccc([N+](=O)[O-])c(Cl)c1 1178413705 XANXJGLLAQIIDY-UHFFFAOYSA-N 324.695 3.023 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCCc2ccccc2C1 1304316076 FRWXDMOUQCMKFR-FPISAVPCSA-N 323.392 3.175 10 10 DGCE C[C@H](NC(=O)NCCc1ccc2[nH]ccc2c1)c1ccccc1O 1478507316 AACYVMRZEGIREG-ZDUSSCGKSA-N 323.396 3.476 10 10 DGCE CCCCC(=O)N[C@H](C)[C@H](C)NCc1ccc(OC)c(C)c1 1505561327 KMZRAPPGTMGDSX-LSDHHAIUSA-N 306.450 3.177 10 10 DGCE C[C@@H](CSC(F)(F)F)C(=O)N(C)Cc1ccccc1O 1622317716 VUUUIDDQOZAEIA-VIFPVBQESA-N 307.337 3.240 10 10 DGCE O=C(Cc1cc2cc(Cl)ccc2[nH]1)NCc1ccccc1O 1630362913 BMWVNELLZHNGOR-UHFFFAOYSA-N 314.772 3.386 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1c(C)cccc1C 1636058744 PLTZZSJFRSFZAD-UHFFFAOYSA-N 304.386 3.425 10 10 DGCE CCOc1ccc(N(Cc2c(C)nnn2CC)CC2CC2)cc1 1648030315 KXYXZQMXXPUXND-UHFFFAOYSA-N 314.433 3.422 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1cnn2ccccc12 1652705436 FHBXNCMSGNYBGW-UHFFFAOYSA-N 317.348 3.123 10 10 DGCE COC(=O)COc1ccc(N(C)C[C@@H]2CC[C@H]3C[C@@H]3C2)cc1 1658211503 QCOWLRKIACNXSP-ILXRZTDVSA-N 303.402 3.111 10 10 DGCE O=C(NCc1cccc(Cl)c1O)N[C@@H]1C[C@@H]2CCCC[C@@H]21 1684904310 GKXZPTQPNCFOAN-VHRBIJSZSA-N 308.809 3.424 10 10 DGCE Cc1ccc(O)c(CNC(=O)NCCc2cccc3[nH]ccc23)c1 1686257380 OUVAZLDJKOGOIG-UHFFFAOYSA-N 323.396 3.224 10 10 DGCE O=C(O)C1CCN(/N=N/c2ccc(Cl)c([N+](=O)[O-])c2)CC1 1860483904 OMEQIUHNKRCZMX-CCEZHUSRSA-N 312.713 3.044 10 10 DGCE [N-]=[N+]=N[C@@H]1CCN(C(=O)c2c(F)cccc2Br)C1 1912170281 VGHQOCQJKPCIRP-SSDOTTSWSA-N 313.130 3.113 10 10 DGCE Oc1cccc(Cl)c1CN[C@@H]1CCOC[C@H]1C(F)(F)F 1916617636 UTOJPJKAAOHRBT-MWLCHTKSSA-N 309.715 3.103 10 10 DGCE CCCN[C@@H](c1ccccc1O)[C@@H](C)NC(=O)OC(C)(C)C 1928475748 BDZAXLHGGREFMW-IUODEOHRSA-N 308.422 3.346 10 10 DGCE CC(C)(C)OC(=O)N1c2ccccc2C[C@H]1[C@H](CO)N=[N+]=[N-] 1951357114 BEOLKHOOYRCPIN-AAEUAGOBSA-N 304.350 3.024 10 10 DGCE CC(C)(C)OC(=O)N1CCC(F)(F)[C@H]1Cc1ccc(N)cc1 1953032000 VNHNBYMCCOCTEN-CYBMUJFWSA-N 312.360 3.456 10 10 DGCE CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)c1ccc(N(C)C)cc1 1977957233 COJDRLTZJAIYHT-CVEARBPZSA-N 322.449 3.335 10 10 DGCE C[C@H](N(Cc1ccccc1)c1ccc(CN)cc1F)C(C)(C)O 1980733069 JYTFAASPKCNYFF-AWEZNQCLSA-N 316.420 3.450 10 10 DGCE CC[C@@H](CN(CC)Cc1ccc(N)cc1)NC(=O)OC(C)(C)C 1981720247 FVPYHRRZBFWDOI-INIZCTEOSA-N 321.465 3.394 10 10 DGCE OCCCN(Cc1ccccc1)c1ccc2c(c1)CCC[C@H]2O 1986600778 PDWUFOTVMRGQDT-HXUWFJFHSA-N 311.425 3.445 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2CC(Oc3ccc(N)cc3)C[C@H]2C1 1992497960 KTCLDWDUNFVNGT-STQMWFEESA-N 318.417 3.293 10 10 DGCE C[C@H]1C[C@@H](F)CN1c1ccc([C@@H](C)O)c(Br)c1 1997691122 HNJMSEVDVOBWFH-IVZWLZJFSA-N 302.187 3.439 10 10 DGCE C[C@H](NCC1(Br)CCC1)c1ccc(O)cc1O 2002766298 CQYDUDAFHZIWLP-VIFPVBQESA-N 300.196 3.066 10 10 DGCE CC(C)CN1CC[C@H](Nc2c(N)cccc2Br)C1 2041968982 PWMMLSIKFIEMAR-NSHDSACASA-N 312.255 3.174 10 10 DGCE CC[C@]1(C)C[C@@H](NCc2c(O)cccc2Br)CO1 2069118456 SLMAHLCLFNFTCJ-QMTHXVAHSA-N 314.223 3.202 10 10 DGCE COc1ccc([C@@H](C)n2nc(-c3ccccc3)cc2CN)c(O)c1 2070119411 SDDUWTSDWQAZPA-CYBMUJFWSA-N 323.396 3.332 10 10 DGCE CCCN[C@]1(CO)CCC[C@@H](Sc2nccs2)[C@H]1C 2119183920 KKMVTEVDQGQCTA-BZPMIXESSA-N 300.493 3.155 10 10 DGCE Cc1cc(N2CCCSC[C@H]2C(F)(F)F)ccc1CO 2143614510 LMPLIDBMYLITKX-ZDUSSCGKSA-N 305.365 3.362 10 10 DGCE C[C@H](O)CN(Cc1ccccc1)c1ccc2c(c1)CCCN2C 2210796983 FSXHCFYTQXQJHK-INIZCTEOSA-N 310.441 3.456 10 10 DGCE Cc1ccnc(Br)c1NCc1cccc(O)c1O 2219979406 HKIDNCARGDLTOO-UHFFFAOYSA-N 309.163 3.176 10 10 DGCE CC[C@@H]1CC[C@@H]1NCc1c(Br)ccc(OC)c1O 2220462768 QOTWUZVFHDCUCV-SKDRFNHKSA-N 314.223 3.442 10 10 DGCE Cc1cccnc1C=CC(=O)NCc1ccc2c(c1)CCCN2C 2308795548 IURMZUODVOSFIW-UHFFFAOYSA-N 321.424 3.102 10 10 DGCE COc1cc(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)sc1Cl 2340266573 ZWSMZZIKYFLHLK-ZETCQYMHSA-N 300.771 3.183 10 10 DGCE Cc1ccc(CN(C)C(=O)[C@@H]2C=CCC2)c(O)c1Br 2352932163 IXEGPMNXPLXGEJ-LLVKDONJSA-N 324.218 3.388 10 10 DGCE COc1cc(Cl)c(N(CCO)CCC(C)C)c(OC)c1 2368120056 DVKZKXKOJUIVQU-UHFFFAOYSA-N 301.814 3.202 10 10 DGCE CC(C)(C)OC(=O)NCC[C@H]1C[C@@H]1COc1ccc(N)cc1 1952755432 QUFOUBZYKDZZBR-QWHCGFSZSA-N 306.406 3.199 10 10 DGCE Oc1c(F)cccc1CNC[C@H]1CCN(Cc2ccccc2)C1 309766013 ZLCYSLZJSOCRIN-MRXNPFEDSA-N 314.404 3.143 10 10 DGCE COc1ccc(O)c(CNC(=O)/C(C)=C/c2ccc(C)cc2)c1 182508219 MBKBYAWHWBYEMG-GXDHUFHOSA-N 311.381 3.429 10 10 DGCE O=C(/C=C/c1cccnc1)N1CC2(CCOCC2)c2ccccc21 189814809 URXMBPRGQMNASZ-BQYQJAHWSA-N 320.392 3.190 10 10 DGCE CCCN(CCC)c1ccc(CNCc2noc(C)n2)cc1 192876074 UOAPXSMJIDPXEM-UHFFFAOYSA-N 302.422 3.294 10 10 DGCE CCNCc1ccc(N(C)[C@@H](C)COC)cc1Br 233511984 RHBKXBXEEHASIW-NSHDSACASA-N 315.255 3.030 10 10 DGCE C[C@H](N[C@H](C)[C@@H](O)Cc1ccccc1)c1ccc(F)c(F)c1O 249095620 OGEYJUFJNYMGPG-OZVIIMIRSA-N 321.367 3.313 10 10 DGCE CN1CCc2cc([C@@H](N)[C@H](O)c3csc(Cl)c3)ccc21 2163140334 IECJMJFDGBPIRA-HUUCEWRRSA-N 308.834 3.127 10 10 DGCE C[C@H](NC(=O)N[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc(N(C)C)cc1 826532612 WOORKAOKVVWIBW-QCEMKRCNSA-N 301.434 3.301 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@H]1C[C@@H]2C[C@@H]2C1 823693568 OMOHSPNLHAHCMP-MXASKKJJSA-N 315.461 3.090 10 10 DGCE CCCCc1nc(C)c(CC(=O)NCc2ccccc2O)s1 901124814 OZSTXQZUXMQREW-UHFFFAOYSA-N 318.442 3.359 10 10 DGCE CCN1CC[C@H](N(C)C/C=C\c2ccc(N(C)C)cc2)[C@@H](C)C1 835026113 QMDXNSFXYFLSPS-KQCIVJTHSA-N 315.505 3.428 10 10 DGCE CN(C)c1ccc(CNC(=O)[C@H]2C[C@]2(F)c2ccccc2)cc1 839469550 LEHUDWXZPWXQJF-MJGOQNOKSA-N 312.388 3.254 10 10 DGCE CN(C/C=C/c1ccc(N(C)C)cc1)Cc1ncc(Cl)n1C 835045374 VJZUBIILEQPFOO-AATRIKPKSA-N 318.852 3.285 10 10 DGCE CO[C@@H](C)c1cccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1 588404329 MQBAAZPIPBNNLK-UPZNUWHASA-N 313.353 3.457 10 10 DGCE CCN(CC)c1ccc(CNC(=O)NC[C@@H]2C[C@@H]2C)cc1F 731364179 SOTWTUMOMPFHEF-JSGCOSHPSA-N 307.413 3.127 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2cn(C)nc2C2CCCC2)c1 913000775 VBJAJPZSMYRBTM-UHFFFAOYSA-N 313.401 3.022 10 10 DGCE C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(N)cc1 841296609 WFOWTSCGVAMELE-JOYOIKCWSA-N 301.312 3.464 10 10 DGCE CS[C@H](CNC(=O)NCc1c(O)cccc1F)C(C)(C)C 921919517 VSYVBGXDJDXACL-CYBMUJFWSA-N 314.426 3.108 10 10 DGCE COc1ccc(N2CC[C@H](Nc3cc(C(C)C)ncn3)C2)cc1 853759757 ZHSGDCLPMCCDBU-AWEZNQCLSA-N 312.417 3.299 10 10 DGCE CN(C)c1ccc(CN[C@@H](C2CC2)[C@H]2CCCOC2)cc1F 922899003 VLVJUQOEJDKLPN-YJBOKZPZSA-N 306.425 3.187 10 10 DGCE C[C@H](NC(=O)NCC[C@@H]1CCC2(CCC2)O1)c1ccccc1O 927748670 XOJPLQOLIDFEPH-KBPBESRZSA-N 318.417 3.244 10 10 DGCE C[C@@H](NC(=O)NC[C@@H]1CCCC2(CCC2)O1)c1ccccc1O 927174313 LGMITBJIZVZZQF-KGLIPLIRSA-N 318.417 3.244 10 10 DGCE Cc1cc(O)c(CN2C[C@]34CCCC[C@]3(COC4)C2)cc1C 853624093 MKNXKUGURHRWRU-KDURUIRLSA-N 301.430 3.402 10 10 DGCE C[C@H](NCc1ccc(N2CCOCC2)cc1)[C@@H]1C[C@H]1C1CC1 858105977 PDJPMKQQSHGQAH-JVPBZIDWSA-N 300.446 3.047 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)C3=CC[C@@H](C)CC3)C2)cc1 855226785 UESRWFCGQDETGD-GDBMZVCRSA-N 314.429 3.137 10 10 DGCE COc1ccc(N2CC[C@H](Nc3ncnc4c3CCCC4)C2)cc1 853758831 KZUWPNAJVWCFPG-AWEZNQCLSA-N 324.428 3.055 10 10 DGCE CCOc1ccccc1CCC(=O)NCc1cc(C)ccc1O 862761737 VSRQBTCAKGZNQZ-UHFFFAOYSA-N 313.397 3.348 10 10 DGCE CN(Cc1ccccc1O)C(=O)Cc1cc(C(F)(F)F)ccn1 860049034 OVNRKYZEZKNVGC-UHFFFAOYSA-N 324.302 3.007 10 10 DGCE Cc1cc(CCNC(=O)NCCCF)c(C)n1-c1ccccc1 767961802 CNQVSJLVMDOLDY-UHFFFAOYSA-N 317.408 3.295 10 10 DGCE C[C@@H](NC(=O)Nc1ccc([C@@H]2C[C@H]2N)cc1)c1ccccc1O 868176499 PJIVUGURGOASIJ-XFBWCDHKSA-N 311.385 3.090 10 10 DGCE COc1cccc([C@H](C)N[C@@H](C2CCC2)[C@H]2CCCO2)c1O 866491242 OKYUQPXXNCFMNY-MJEQTWJJSA-N 305.418 3.399 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1Cc2ccccc2O1 864633458 HBIKGIUEHXHPKX-GOSISDBHSA-N 324.424 3.105 10 10 DGCE O=C(N[C@@H]1CC12CCCC2)c1cc2cc(O)c(O)cc2s1 897566043 DVSKKZLAJPCALL-CQSZACIVSA-N 303.383 3.375 10 10 DGCE C[C@@H](NCc1ccc2c(c1)CCN2Cc1ccccc1)C(C)(C)O 796277837 JHEUCNPDNAXVLJ-MRXNPFEDSA-N 324.468 3.498 10 10 DGCE NC[C@@H]1CC(F)(F)CN1c1ccc(OCc2ccccc2)cc1 1899856164 FTSVSXRQQLGDTF-INIZCTEOSA-N 318.367 3.438 10 10 DGCE COc1ccc(NC(=O)c2ccc(C)c(O)c2O)cc1SC 1141984372 LIHWHULWQNMFPI-UHFFFAOYSA-N 319.382 3.389 10 10 DGCE CN(CCCN=[N+]=[N-])[C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 1962286955 DSGKKGXLFFHFJE-STQMWFEESA-N 311.430 3.312 10 10 DGCE C[C@H](NC(=O)NC[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccc(N(C)C)cc1 1234555706 NAZSJUVBUUAJSQ-OTRWWLKZSA-N 313.445 3.325 10 10 DGCE COc1cc(Cl)cc(CNCCCOC(F)(F)F)c1O 398266590 RCGYAFLJYYCLDJ-UHFFFAOYSA-N 313.703 3.070 10 10 DGCE CC[C@H]1COC[C@@H]1N(C)Cc1cc(Br)ccc1O 688186032 CXERMSIYJATINL-GWCFXTLKSA-N 314.223 3.012 10 10 DGCE CC[C@H](C)[C@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 1289599750 IHLIBVRCCZFOOB-RLFYNMQTSA-N 319.493 3.154 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2cc(F)cc(Cl)c2N)c1 1453646358 ACEDMXANODYXMQ-UHFFFAOYSA-N 308.740 3.005 10 10 DGCE Cc1cc(CC(=O)NCc2ccc[nH]2)c(C)n1-c1ccccc1 1465457350 MEOXQSVRCDDXBB-UHFFFAOYSA-N 307.397 3.281 10 10 DGCE c1ccc(N2CC[C@@H](NCc3ccc(N4CCCC4)cc3)C2)nc1 1461358245 AWWYVDFTJWPFAR-GOSISDBHSA-N 322.456 3.050 10 10 DGCE CCN(Cc1ccccc1Cl)C(=O)Cc1ccc(O)c(O)c1 1624287413 ZSVNAUYENUJXGK-UHFFFAOYSA-N 319.788 3.342 10 10 DGCE COc1ccc(CN[C@@H](C)CNC(=O)C2CC(C)(C)C2)cc1C 1491445482 WDKNHFGHFDXELC-AWEZNQCLSA-N 318.461 3.034 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@H](O)C23CCC3)cc1 1632933145 PEFSZLJHLHCCAE-MSOLQXFVSA-N 324.424 3.127 10 10 DGCE C[C@H](NC(=O)c1cc2c([nH]1)CCCC2)c1ccc(N(C)C)cc1 1634447906 DAUHWOLYVRJUFM-ZDUSSCGKSA-N 311.429 3.451 10 10 DGCE COC(=O)c1cc(OCOC2CCCCC2)ccc1N(C)C 1641368628 ONPSKGRAUGTJCP-UHFFFAOYSA-N 307.390 3.225 10 10 DGCE CN(C)c1ccc(CN2CC[C@](C)(C(=O)OC(C)(C)C)C2)cc1 1654650721 WGNHZTKAUFCPQN-IBGZPJMESA-N 318.461 3.306 10 10 DGCE Cc1cccc(-n2c(C)cc(CNC(=O)c3ccncn3)c2C)c1 1587881022 QFEAFGHXWOOEDW-UHFFFAOYSA-N 320.396 3.123 10 10 DGCE COc1ccc(CN[C@H](C)CN(C)C(=O)CC2(C)CC2)cc1C 1774121742 QXOJJLIFBOYDAI-OAHLLOKOSA-N 318.461 3.130 10 10 DGCE CC[C@H](NCCN1C(=O)Cc2ccccc21)c1ccccc1O 155553371 QLBRVXFHJHHTOC-INIZCTEOSA-N 310.397 3.022 10 10 DGCE Nc1ccc(O[C@H]2C[C@H]3CC[C@H]2CN3C(=O)c2ccccc2)cc1 259757557 ZQWMQJOVGBBZRR-WDYCEAGBSA-N 322.408 3.341 10 10 DGCE CNCc1ccc(N(Cc2ccccc2)C[C@@H](C)O)c(Cl)c1 1914633735 OEPVIZLHHIORDV-CQSZACIVSA-N 318.848 3.447 10 10 DGCE CC(C)(CO)N(Cc1ccccc1)c1ccc(CN)c(F)c1F 1915752907 VEPNMWOARWYIKV-UHFFFAOYSA-N 320.383 3.201 10 10 DGCE CC(C)(NCc1cc(Br)ccc1O)[C@@H]1CCCO1 1967842907 FRLYWUHKUDKKHM-ZDUSSCGKSA-N 314.223 3.202 10 10 DGCE COc1cc2c(cc1OC)N(CCSC(F)(F)F)CC2 2143453953 HUMQIWOZXOBWFR-UHFFFAOYSA-N 307.337 3.319 10 10 DGCE Cc1cc(CN)ccc1N1CCCSC[C@H]1C(F)(F)F 2143600083 XAUMYAXKMIDSGU-ZDUSSCGKSA-N 304.381 3.328 10 10 DGCE OCc1ccc(N2CC3(CC(OCc4ccccc4)C3)C2)cc1 1978833962 KHSUVLTWULTRJE-UHFFFAOYSA-N 309.409 3.365 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1C[C@@H]([C@H](F)COc2ccc(N)cc2)C1 1992586378 PMWCIKBSQOTMAY-OSAQELSMSA-N 324.396 3.289 10 10 DGCE CN1CCc2cc([C@@H](O)c3cnc(Cl)c(Cl)c3)ccc21 2163071168 MCYFORQTNRFNNH-CQSZACIVSA-N 309.196 3.462 10 10 DGCE CO[C@H]1CC[C@@H]1NCc1cc(Cl)cc(Br)c1O 724199314 QOBOORSLSCBZJB-QWRGUYRKSA-N 320.614 3.075 10 10 DGCE CCN[C@@H](C)c1ccc(N(C)Cc2cnns2)c(Cl)c1 400059255 HLMLMDDQIHEOGP-JTQLQIEISA-N 310.854 3.498 10 10 DGCE Cc1ccc(O)c([C@@H](C)n2nc(C3CC3)cc2C(=O)N(C)C)c1 2070086715 IPEVIRKJZBCJSB-GFCCVEGCSA-N 313.401 3.086 10 10 DGCE Cc1ccc([C@H](C(C)C)n2nc(C(C)C)c(N)c2N)c(O)c1 2078980381 DAGUPPKEDTXZKO-INIZCTEOSA-N 302.422 3.430 10 10 DGCE CC=C1CN(c2ccc(C=CC(=O)O)cc2Br)C1 2058789095 RUWYVTXYZFGIPD-UHFFFAOYSA-N 308.175 3.313 10 10 DGCE Nc1ccc(COC[C@H](O)c2cccc(Br)c2)cc1 2113445583 XJIBUECAHPESQP-HNNXBMFYSA-N 322.202 3.282 10 10 DGCE Cc1ccc([C@@H](C)NCc2cnn(C)c2Br)c(O)c1 2116555674 UABBQLHYBVNIDL-SNVBAGLBSA-N 324.222 3.047 10 10 DGCE CC[C@@H](C)C[C@@](CSc1nccs1)(NC1CC1)C(=O)O 2207923766 QEPSVZMHAUUWDH-YGRLFVJLSA-N 314.476 3.247 10 10 DGCE CCCN[C@@](CSc1nccs1)(CC(C)C)C(=O)OC 2207918209 UYMWHUVJDASXOX-CQSZACIVSA-N 316.492 3.193 10 10 DGCE Cc1nn(C)c(N[C@@H](C)c2ccccc2O)c1Br 2219656978 ZJVPQVUDYXFJRX-QMMMGPOBSA-N 310.195 3.370 10 10 DGCE CN1CCc2cc([C@H](O)c3cocc3Br)ccc21 2258101138 XXDMGXSSWQZTSV-AWEZNQCLSA-N 308.175 3.116 10 10 DGCE CCOC(=O)CCSc1ncc(CN[C@H](C)CC)s1 2266605715 PPRIHHQKFZRXAO-SNVBAGLBSA-N 302.465 3.077 10 10 DGCE COc1cc(OC)c(N(CCO)CCC(C)C)cc1Cl 2285879230 VJYZOZFTRLMIIU-UHFFFAOYSA-N 301.814 3.202 10 10 DGCE C[C@@H](c1cc(Cl)ccc1O)N1CCO[C@H](P(C)(C)=O)C1 2289221853 KMKISXUJBCZNML-IINYFYTJSA-N 317.753 3.388 10 10 DGCE Cc1ncsc1C=CC(=O)N(C)Cc1ccc(N(C)C)cc1 2310131040 QZJCFQIRDUUCDN-UHFFFAOYSA-N 315.442 3.189 10 10 DGCE CCN1C(=O)C(=Cc2ccc(Cl)cc2)C(C(=O)OC)=C1C 2313510836 YCERWUZBUBWQFJ-UHFFFAOYSA-N 305.761 3.033 10 10 DGCE CCOC(=O)N1CCN(N=Nc2ccc(F)c(Cl)c2)CC1 2330155969 VCOOLHGHHFGVJK-UHFFFAOYSA-N 314.748 3.252 10 10 DGCE C[C@H](N[C@@H]1CCN(Cc2ccccc2)C1)c1cc(O)ccc1O 302872354 PQYAXRBVJFPURD-GOEBONIOSA-N 312.413 3.023 10 10 DGCE CN[C@H](C)c1ccc(N2CC[C@H](SC(F)F)C2)cc1O 2365707419 MRUUPROKXOTESJ-KOLCDFICSA-N 302.390 3.207 10 10 DGCE Cc1nc(CN(C)C(=O)c2ccc(-n3c(C)ccc3C)cc2)no1 181026850 OSLKPKJVXFVGBV-UHFFFAOYSA-N 324.384 3.058 10 10 DGCE Cc1ccc2nc(C(=O)O)c(/N=N\c3cccc(C(=O)O)c3)n2c1 71590149 DMLXZZQIFMXUAW-HNENSFHCSA-N 324.296 3.455 10 10 DGCE CC(C)[C@@]12C[C@H]1C(=O)N(c1c(Cl)cc(N)cc1Cl)C2=O 2365786428 TYIDSBGNHUREKX-RTHLEPHNSA-N 313.184 3.111 10 10 DGCE C[C@H](N[C@@H]1CCCC[C@@H]1CO)c1cc2c(cc1O)CCCC2 185507446 YPYAJTHOPDDWPY-FDQGKXFDSA-N 303.446 3.473 10 10 DGCE CCOCCN(C)[C@@H](C)c1cc(Br)ccc1O 211687300 LBDVAFHCLXJPLV-JTQLQIEISA-N 302.212 3.184 10 10 DGCE CCN(CC)c1ccc(CNC(=O)c2cccc3c2OCC3)cc1 1355912710 YNGODOODLYNKAG-UHFFFAOYSA-N 324.424 3.398 10 10 DGCE CN(C)c1ccc(CNC(=O)c2scnc2C2CC2)cc1F 89784773 QJWVMSMMBNFHLS-UHFFFAOYSA-N 319.405 3.156 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCCCC12CNC2 1235104605 UCCCYMOOMMHHHM-UHFFFAOYSA-N 301.217 3.027 10 10 DGCE CNCc1ccc(N(C)Cc2cnn(C)c2Cl)cc1Cl 2166131697 BEARLJBFCVLSLZ-UHFFFAOYSA-N 313.232 3.083 10 10 DGCE CC[C@@H]1CCN1C(=O)NCc1ccc(N(CC)CC)c(F)c1 813634934 XBMPROXEVRVJLL-CQSZACIVSA-N 307.413 3.366 10 10 DGCE CN(CC1(c2ccccc2)CC1)C(=O)/C=C\c1ccc(O)c(O)c1 588538367 VAPAESFKWJXHCL-NTMALXAHSA-N 323.392 3.301 10 10 DGCE COc1ccc2ccc(O)c(CN3CCO[C@@H](C)CC3)c2c1 905740043 PXTAFNOMZOIFLM-ZDUSSCGKSA-N 301.386 3.165 10 10 DGCE CC(C)N1CCCN(C/C=C/c2ccc(N(C)C)cc2)CC1 835025211 GLIDBNOZZKZFHQ-FNORWQNLSA-N 301.478 3.182 10 10 DGCE CC[C@](C)(CC(=O)OC)NC/C=C\c1ccc(N(C)C)cc1 835048396 RAZCAMXUZCQWFJ-JTHGQSKGSA-N 304.434 3.087 10 10 DGCE C[C@H](OC(=O)c1cc(O)cs1)c1nnc(-c2ccccc2)o1 731909135 ASTRLYSKCIZHDY-VIFPVBQESA-N 316.338 3.422 10 10 DGCE O=C(NCCC1CCCC1)NCc1ccc(N2CC=CC2)cc1 740904444 DGWQTTTYBWBFGY-UHFFFAOYSA-N 313.445 3.442 10 10 DGCE Oc1ccc2ccncc2c1CN1CCC[C@H]([C@@H]2CCOC2)C1 747827258 NRBLAOYMANGHHD-JKSUJKDBSA-N 312.413 3.189 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@@H](CN)C2CCCCC2)cc1 841039398 NLVOZRPHMKQYNE-GHOSXJJBSA-N 301.478 3.263 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCC(C3(O)CC3)CC2)cc1 846007372 GUBUKRTVWLCPGP-ARJAWSKDSA-N 300.446 3.003 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)CC(C)(C)C)C2)cc1 855225973 MMCMGSPPHYXBAE-GJZGRUSLSA-N 318.461 3.462 10 10 DGCE C[C@@H](NC(=O)N[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(N(C)C)cc1 773609735 BDMCKEGSVYAUAG-RMRKRWHISA-N 301.434 3.301 10 10 DGCE COC1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CCCC1 897864769 BGLNVJJOXWXPTJ-UHFFFAOYSA-N 321.398 3.002 10 10 DGCE Cc1cncc(/C=C/C(=O)N2CCOc3cc(F)c(F)cc32)c1 1130408033 OHBRNQWSCFLHGZ-NSCUHMNNSA-N 316.307 3.107 10 10 DGCE Cc1cc(N(C)C)ccc1CN[C@@H]1CCN(C)[C@H]2CCC[C@@H]21 796772267 PQWIAKNWJBEUHB-QRVBRYPASA-N 301.478 3.023 10 10 DGCE Cc1cc(O)ccc1CC(=O)NCc1c(O)ccc2ccccc12 1157050692 IJCDEUFUDIJPQX-UHFFFAOYSA-N 321.376 3.418 10 10 DGCE Nc1ccc(O[C@@H]2CC[C@H]2NC(=O)OCc2ccccc2)cc1 1883783820 GHXRJVNJGDOHGQ-IAGOWNOFSA-N 312.369 3.105 10 10 DGCE C[C@@H](C(=O)NCc1c(O)cccc1O)c1cn(C)c2ccccc12 1304053478 LWCFFCLPCAXNBZ-GFCCVEGCSA-N 324.380 3.009 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)CC(C)=C(C)C)cc1 1164597677 RXGDEMRYYTZAKZ-UHFFFAOYSA-N 304.434 3.336 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@H](C)[C@H]1C 1312883409 CSFTWNQSEFTRLL-CWRNSKLLSA-N 317.477 3.432 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@H]3C[C@H]2CS3)cc1C(F)(F)F 705568689 RYHUCUGIXPLGOF-DVVUODLYSA-N 303.349 3.453 10 10 DGCE COc1ccc(CNC/C=C/CNC(=O)c2ccccc2)cc1C 1273814647 JJWXIGDSSCKVFS-VOTSOKGWSA-N 324.424 3.079 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)c1onc2ccccc12 1290289941 ICGTZJGOIGWJDB-UHFFFAOYSA-N 309.369 3.166 10 10 DGCE O=C(NCc1ccccc1O)c1ccc(O[C@H]2CC2(F)F)cc1 1294926164 YNWWNEPXOWRBCR-HNNXBMFYSA-N 319.307 3.109 10 10 DGCE C[C@H](NC(=O)Cc1cc2ccccc2c(O)n1)c1ccccc1O 1454822064 WNRFZEWBPOXKRK-LBPRGKRZSA-N 322.364 3.066 10 10 DGCE C[C@H](CSC(F)(F)F)C(=O)NCc1ccc(N(C)C)cc1 1531322619 ZXTSGMNHYJUBQO-SNVBAGLBSA-N 320.380 3.258 10 10 DGCE Cc1cccc(CSCC(=O)NCc2c(O)cccc2F)c1 1471974746 INKSGQMDYPHFLG-UHFFFAOYSA-N 319.401 3.389 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCC1=CCCC1 1470555085 AUGCYLZPKATSSX-HNNXBMFYSA-N 315.461 3.402 10 10 DGCE CC(C)(C)C[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(F)(F)F 1632939314 BQVPOLJURATOLU-LBPRGKRZSA-N 319.323 3.124 10 10 DGCE CC/C=C(/C)C(=O)N1CC[C@H](NCc2ccc(OC)c(C)c2)C1 1567092018 SVKJITGLNOTZCJ-ZRBJYGNNSA-N 316.445 3.050 10 10 DGCE C[C@H](NC(=O)c1cc(-c2cccc(O)c2)on1)c1ccccc1O 1587450931 ASGORFHLBOBKHT-NSHDSACASA-N 324.336 3.244 10 10 DGCE CCc1oc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1C 160001052 CUYSESDILBOSRY-UHFFFAOYSA-N 300.402 3.489 10 10 DGCE CCNCc1ccc(N2CCCN3CCC[C@@H]3C2)c(Cl)c1 164061714 URMUEEOWBPKMBA-OAHLLOKOSA-N 307.869 3.124 10 10 DGCE C[C@H](NCc1c(O)ccc2ccccc12)C(=O)OC(C)(C)C 133689461 IXHFRAZZFFTTDZ-LBPRGKRZSA-N 301.386 3.365 10 10 DGCE COCCCN1C(=O)/C(=C\c2sccc2C)SC1=S 2682734 ZSZLOHLBCJJHDF-DHZHZOJOSA-N 313.469 3.294 10 10 DGCE C[C@@H](c1c(O)cccc1O)N(Cc1ccccc1)[C@H](C)C(=O)O 1902362685 FOVWHCFQOXPBAV-QWHCGFSZSA-N 315.369 3.134 10 10 DGCE CON(CCN[C@@H](C)c1ccc(C)cc1O)C(=O)OC(C)(C)C 1936451965 GIHJJULWMVQQBH-ZDUSSCGKSA-N 324.421 3.150 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](OCCCc2ccc(N)cc2)C1 1952517964 PJVDQRRSKWIGFP-INIZCTEOSA-N 320.433 3.227 10 10 DGCE CC(C)(C)OC(=O)N1[C@@H](CNc2ccc(N)cc2)COC1(C)C 1977658779 FRBYMNDUZDIRER-AWEZNQCLSA-N 321.421 3.053 10 10 DGCE C[C@@H](c1ccccc1O)N(C)c1nc(Br)ns1 2017507382 HQVDZCJJDSYLIM-ZETCQYMHSA-N 314.208 3.204 10 10 DGCE CNCc1ccc(N2CCCC[C@@H](F)C2)cc1Br 2034857127 MJBHWHNQFGKESO-GFCCVEGCSA-N 315.230 3.497 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@H]3C[C@H]2CS3)cc1Br 321289885 KARTTWYVAMOAFJ-DVVUODLYSA-N 313.264 3.163 10 10 DGCE Cc1nc(CSCCC(=O)NCCCCN=[N+]=[N-])cs1 701297695 XZDCPHFSAMBJEN-UHFFFAOYSA-N 313.452 3.282 10 10 DGCE CCCNCc1ccc(N2CC[C@@H](F)C2)cc1Br 689823871 FCQHHMPYMNNYFB-GFCCVEGCSA-N 315.230 3.497 10 10 DGCE CCN(CC)c1ccc([C@]2(N)CCCC3(CC2)OCCO3)cc1 2163138868 ROPHXHIKJINSON-SFHVURJKSA-N 318.461 3.394 10 10 DGCE COc1ccc(Cn2nc(-c3ccccc3)cc2C(=O)O)c(O)c1 2069899981 NJUDWLXKVUQMCH-UHFFFAOYSA-N 324.336 3.011 10 10 DGCE CC[C@H](c1cc(C)c(C)cc1O)n1nc(C)c(C(N)=O)c1Cl 2079927691 UUQIBPOHQFNDIN-GFCCVEGCSA-N 321.808 3.266 10 10 DGCE CC[C@](C)(CN(C)Cc1cccc(Br)c1O)OC 2066247553 MKJLZSPOIVHLPV-CQSZACIVSA-N 316.239 3.402 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@](N)(c2ccccc2O)CCC12CC2 2211197853 VFZVCJXDBMQWBV-GOSISDBHSA-N 318.417 3.110 10 10 DGCE COc1c(C(=O)N2CCC(N=[N+]=[N-])CC2)csc1Cl 2268921924 DPBHNSGYGRDXAU-UHFFFAOYSA-N 300.771 3.325 10 10 DGCE CC[C@H]1CN[C@@H](CC(C)C)CN1Cc1cnc(SC)s1 2284678520 WUXKXCBPPAYVPV-STQMWFEESA-N 313.536 3.464 10 10 DGCE CCOc1ccccc1N(C)C(=O)C=Cc1cncc(F)c1 2303924557 ZRPRYAXTWYGWAF-UHFFFAOYSA-N 300.333 3.296 10 10 DGCE CC(=O)N(C(=O)NC=CC1CCCCC1)c1ccc(N)cc1 2325914501 ZYGIBUUOMKSPGS-UHFFFAOYSA-N 301.390 3.425 10 10 DGCE CN(c1ccc(CO)c(Br)c1)[C@H]1C[C@@H]2C[C@H]1[C@H]1C[C@@H]21 2330312310 UBDJIFPXGAQNHN-XZHFZGJDSA-N 322.246 3.422 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)CCc1ccccc1O 61075111 VMWXFXBQTAQDOT-UHFFFAOYSA-N 312.413 3.049 10 10 DGCE COCCCN(C)C(=O)c1cc(C)n(-c2ccccc2)c1C 66340073 OBYYRUXMHJCWKX-UHFFFAOYSA-N 300.402 3.203 10 10 DGCE C[C@@H](NC(=O)C[C@@H]1Cc2ccccc2O1)c1ccc(N(C)C)cc1 1435954430 XNEMHYQWDOHKBS-KDOFPFPSSA-N 324.424 3.324 10 10 DGCE Cc1ccc(C(=O)N2CCc3[nH]c4ccccc4c3C2)c(O)c1O 179403598 BIOGBSLWJYGFLH-UHFFFAOYSA-N 322.364 3.086 10 10 DGCE CCN[C@H](C)c1ccc(N2CCOC[C@H](F)C2)cc1Cl 2361817141 ZNLWSKRGMPUBCY-VXGBXAGGSA-N 300.805 3.185 10 10 DGCE CCc1ccc([C@H](COC)NCc2ccc3c(c2)CCN3C)o1 123601238 LXCUWQLVPCUTGZ-KRWDZBQOSA-N 314.429 3.312 10 10 DGCE Cc1ccc([C@H](C)Nc2cccc(S(C)(=O)=O)c2)c(O)c1 37763479 FQQLIMFHVQNDPW-LBPRGKRZSA-N 305.399 3.277 10 10 DGCE Cc1ccc(O)c(NC2=NC(=O)/C(=C/c3cccnc3)S2)c1 39869693 MKPBRDBRKIKMOJ-ZSOIEALJSA-N 311.366 3.178 10 10 DGCE Cc1cc(C(=O)N[C@@H]2C[C@H]3OCCC[C@H]23)c(C)n1-c1ccccc1 189378883 NNXLVKMCTYDMIM-BHIYHBOVSA-N 324.424 3.391 10 10 DGCE c1cc(N2CCCCC2)ccc1CN[C@@H]1C[C@H]2OCCC[C@H]12 187111968 CNEVGKZBPZPWND-GUDVDZBRSA-N 300.446 3.334 10 10 DGCE Nc1ccc(OCCOc2ccc(Br)cc2)cc1 32209327 DHEIDMFVXWRLRU-UHFFFAOYSA-N 308.175 3.489 10 10 DGCE C[C@H]1CN([C@H](C)c2cc(Br)ccc2O)CCCO1 217863334 KKTNERXIYQDDEH-WDEREUQCSA-N 314.223 3.327 10 10 DGCE O=C(CCCc1ccc(F)c(F)c1)NCc1ccc(O)c(O)c1 182517118 HPEJDQPJXKDVAA-UHFFFAOYSA-N 321.323 3.015 10 10 DGCE Cc1ccc(O)c(CN2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c1 92755015 BDHATKXMBYXFCT-HNNXBMFYSA-N 318.461 3.073 10 10 DGCE Cc1c(/C=C\C(=O)N2C[C@@H](C)Sc3ccccc32)cnn1C 255741862 VCOYGDFBOKIPOC-JLVNDZCYSA-N 313.426 3.269 10 10 DGCE CN(Cc1ccccc1O)C(=O)N[C@H]1CCc2ccccc2C1 299505806 AIEPYYFMDXEEJY-KRWDZBQOSA-N 310.397 3.091 10 10 DGCE CCN[C@H](c1ccc2c(c1)CCN2C)c1cc(Cl)ns1 2167194242 LONNRZQNPVXVPA-OAHLLOKOSA-N 307.850 3.488 10 10 DGCE O=C(O)/C=C\c1ccc(N2CC[C@@H]3C[C@@H]32)c(Br)c1 707062590 RPNFKNYDZRQJED-BMHFLHBOSA-N 308.175 3.146 10 10 DGCE CN(C)c1ccc([C@@H](N)[C@@](C)(O)c2csc(Cl)c2)cc1 2163132426 BSNFFJBAPMYBFT-CABCVRRESA-N 310.850 3.375 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCO[C@H](CC)C1 817788956 LWYOEGQVGPCGCE-JKSUJKDBSA-N 320.433 3.271 10 10 DGCE CCCC[C@@H](N)[C@H](N)c1ccc(OCc2ccccc2)cc1O 713724491 IDALCZYQOVJMNW-IEBWSBKVSA-N 314.429 3.489 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(Cl)o2)c1 729042997 NWHNAKDOMKWKTA-VIFPVBQESA-N 324.764 3.208 10 10 DGCE CO[C@@H](C(=O)N[C@H](C)c1ccc(N(C)C)cc1)C1CCCC1 832437309 ZDAGJDHXZYAIKJ-CXAGYDPISA-N 304.434 3.135 10 10 DGCE CN(C)CCOc1ccc(N(C)C[C@H]2CC2(Cl)Cl)cc1 732410671 GGTLVTJWWPTBJD-GFCCVEGCSA-N 317.260 3.257 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 835042966 ZCXGBPKWVQBQJA-RJXYVRQRSA-N 312.457 3.313 10 10 DGCE Cc1ccc(O)c(CN[C@H](CCC(=O)O)Cc2ccccc2)c1 840998350 AIMGQGNNVSBLNC-QGZVFWFLSA-N 313.397 3.266 10 10 DGCE Cc1cc(O)c(CNCCCOC[C@H]2CCCO2)c(Cl)c1 840874165 XLSXMCWEZPCJLD-CYBMUJFWSA-N 313.825 3.029 10 10 DGCE C[C@@H](NC[C@]1(CO)CCc2ccccc21)c1ccc(N(C)C)cc1 846177717 FILMTLTZOUALIC-IERDGZPVSA-N 324.468 3.280 10 10 DGCE Oc1ccc(Cl)c(F)c1CN[C@@H]1C[C@@H](O)c2ccccc21 850373178 DHGBBTYOSHMBKS-UKRRQHHQSA-N 307.752 3.453 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@@H](OC)C1 854374868 ZNTSDHKCQLLJEM-GDBMZVCRSA-N 305.418 3.336 10 10 DGCE C/C=C/CN[C@H](C)c1cc(Br)cc(OC)c1O 858536024 DAJSVQARBPQWCG-XNPJLODASA-N 300.196 3.390 10 10 DGCE CCC/C(C)=C\C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855228899 FVHAEMWPLWZTGF-IKESIWSLSA-N 302.418 3.137 10 10 DGCE CCC(F)(F)C(C)(C)CNC(=O)c1c(F)ccc(O)c1O 863939516 BKCYPGMJNHPXPE-UHFFFAOYSA-N 305.296 3.038 10 10 DGCE CCN(C)c1ccc(CN2CCC[C@H](c3ccncn3)C2)cc1 773745322 AOCUEZRNGDBPNN-KRWDZBQOSA-N 310.445 3.312 10 10 DGCE C[C@@H](NC(=O)N1CCC[C@@H]1C1CC1)c1ccc(N(C)C)cc1 773615991 CQFHSHQVDIVTJD-CXAGYDPISA-N 301.434 3.398 10 10 DGCE Cc1cccc(O)c1CN[C@@H]1CN(Cc2ccccc2)C[C@H]1C 1896885756 FKJLXCPWIYUCGS-VQIMIIECSA-N 310.441 3.311 10 10 DGCE C[C@@]12CCN(Cc3c(O)ccc4ccncc34)C[C@@H]1C2(F)F 793535504 XDUOLLOKUIPUQS-JKSUJKDBSA-N 304.340 3.418 10 10 DGCE C[C@H](NC[C@@H](C)N(C)Cc1ccccc1)c1cc(O)ccc1O 390541087 QZPRYGSNGXUHCL-CABCVRRESA-N 314.429 3.269 10 10 DGCE Oc1ccccc1CNCC1CCN(Cc2ccccc2)CC1 397508239 IMMTYOJUTICYRW-UHFFFAOYSA-N 310.441 3.394 10 10 DGCE COc1ncc(/C=C/C(=O)N2CC[C@H](C)c3cccc(C)c32)cn1 1534104859 NSRRWJLMQUTYDI-GWJCSSMESA-N 323.396 3.347 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](CO)CC(C)C)cc1 1557388484 ZACLJHJHZIKRQZ-QGZVFWFLSA-N 314.429 3.231 10 10 DGCE CCON(Cc1ccccc1)C(=O)c1ccc(C)c(O)c1O 1642249596 FEVQCMATJAQBMG-UHFFFAOYSA-N 301.342 3.000 10 10 DGCE Oc1c(Cl)cccc1CNc1ccc(-n2cncn2)cc1 158057387 AKJXFTBTISCEJE-UHFFFAOYSA-N 300.749 3.238 10 10 DGCE CN(C[C@@H]1CCCOC1)c1ccc(/C=C/C(=O)O)cc1Cl 164386570 BPEIMQVPDJGHQA-IYNGYCSASA-N 309.793 3.301 10 10 DGCE CC(C)CN1N=C(C(F)(F)F)/C(=C/c2ccccc2O)C1=O 1865677285 BENZYTPHBGANJH-XFFZJAGNSA-N 312.291 3.192 10 10 DGCE COc1ccc(Br)c(CNC2C3(CC3)C23CC3)c1O 1966001702 DRKXKELDXZSTTO-UHFFFAOYSA-N 324.218 3.196 10 10 DGCE CN(Cc1cc(Cl)cc(Cl)c1O)C1(CC(=O)O)CC1 1926898821 YRCHTMCLUSJOFP-UHFFFAOYSA-N 304.173 3.138 10 10 DGCE CCC1(F)CN(c2ccc([C@H](C)N)c(Br)c2)C1 1944800279 XWMNPLCVRFMMRB-VIFPVBQESA-N 301.203 3.407 10 10 DGCE C[C@@H](N(C)c1ccc(CO)cc1Br)C(F)(F)F 1946345016 XCQCXHUGMXYFJC-SSDOTTSWSA-N 312.129 3.328 10 10 DGCE C[C@@H]1C[C@@H](CNCc2ccc(N)cc2)CN1C(=O)OC(C)(C)C 1976796826 RRPCUKRMMXIMTN-HIFRSBDPSA-N 319.449 3.004 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](Nc3c(N)cccc3F)[C@H]1C2 1977663723 CDUGAKKVOHXASN-ZLKJLUDKSA-N 321.396 3.218 10 10 DGCE CCN1CCc2cc([C@@H](O)[C@H](C)NC(=O)OC(C)(C)C)ccc21 1977958967 PAIBNFGJGXARDE-LRDDRELGSA-N 320.433 3.016 10 10 DGCE CC[C@@H](C[C@H](O)c1ccc(N(C)C)cc1)NC(=O)OC(C)(C)C 1977937891 FJKMKOVABMKAOP-HOCLYGCPSA-N 322.449 3.479 10 10 DGCE C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2ccc(N)cc2)CC1 1977969774 FKVOSFUFOAOQJU-ZDUSSCGKSA-N 319.449 3.398 10 10 DGCE FC1(F)CN(c2ccc(CNC3CC3)cc2Cl)CCO1 2152298979 VXVYHRPWSMMKDM-UHFFFAOYSA-N 302.752 3.021 10 10 DGCE CNCc1ccc(N2C[C@@H]3CCN(Cc4ccccc4)[C@H]3C2)cc1 2015068808 QRRHWVMVXVTHNO-FPOVZHCZSA-N 321.468 3.117 10 10 DGCE C[C@@H]1CCC[C@H](S(=O)(=O)N2CCC[C@H](N=[N+]=[N-])CC2)C1 2155555355 MXODGWUTMSVVBJ-AGIUHOORSA-N 300.428 3.060 10 10 DGCE CCCOC1CN(c2ccc([C@@H](C)N)c(Br)c2)C1 2040864918 MLWNTJFYSZRROE-SNVBAGLBSA-N 313.239 3.084 10 10 DGCE CC[C@H]1CN(c2cc(Cl)c(CN)cc2F)C[C@@H](CC)O1 2177376113 BBGMZUBTUNTTMH-TXEJJXNPSA-N 300.805 3.332 10 10 DGCE CCN(CC)c1ccc([C@@H](NN)c2cc(Cl)ns2)cc1 2167195517 HOWCZBMYEJFPQX-CQSZACIVSA-N 310.854 3.195 10 10 DGCE CCNCc1cc(F)c(N(C)[C@@H]2CS[C@H](C)C2)c(F)c1 2189463179 SYKWZPCOTNXKNX-PWSUYJOCSA-N 300.418 3.405 10 10 DGCE C[C@H](O)c1ccc(N(C)Cc2cnco2)c(Br)c1 2043637486 FLGIFEUULAMTQY-VIFPVBQESA-N 311.179 3.127 10 10 DGCE OCc1ccc(N2CC[C@]23C[C@@H](CF)C3)cc1Br 2061796325 KSKJUYAKVGZGDD-YPFXGUDJSA-N 314.198 3.270 10 10 DGCE COC[C@@]1(C)CCCN1Cc1cccc(Br)c1O 2084138145 NBNCPTSOQBHTCC-CQSZACIVSA-N 314.223 3.156 10 10 DGCE CN1CCc2cc([C@](C)(N)c3ccc(Br)o3)ccc21 2106794198 URUWGUZMJPXUCR-HNNXBMFYSA-N 321.218 3.257 10 10 DGCE CN[C@@H](c1ccccc1O)[C@H](O)c1ccc(Br)cc1 2091857890 FWCIRSZQXJWBSS-LSDHHAIUSA-N 322.202 3.149 10 10 DGCE Nc1ccc(CNC(=O)Nc2ccccc2Br)cc1 2227313283 GPVJLBNFAYOWFI-UHFFFAOYSA-N 320.190 3.353 10 10 DGCE COC(=O)[C@@](C)(NCCN=[N+]=[N-])c1cc(Cl)cc(Cl)c1 2237896124 OZTRBKHWBVKUDH-LBPRGKRZSA-N 317.176 3.282 10 10 DGCE CSc1ncc(CNCc2nc(C(C)C)ns2)s1 2257015177 WGSMTRSKMUBWKD-UHFFFAOYSA-N 300.478 3.130 10 10 DGCE Cc1ccc(CN[C@H]2COC(C)(C)C2)c(O)c1Br 2327798778 MGEXHASJLKSEHR-LLVKDONJSA-N 314.223 3.120 10 10 DGCE COc1ccc2c(c1)C[C@@H](C)N(CCc1ccc(N)cc1)CC2 42 GNCHTURXQMPGMG-OAHLLOKOSA-N 310.441 3.309 10 10 DGCE in-man CCN(c1cc2c(cc1Cl)[C@H](NC)C(=O)N2)C1CCCC1 118705356 ZEHUVYXQTANMER-HNNXBMFYSA-N 307.825 3.322 10 10 DGCE COCCCCCN[C@H](C)c1ccc(N2CCC(O)CC2)cc1 122626139 OQZHIOBAMLQRKV-MRXNPFEDSA-N 320.477 3.115 10 10 DGCE COC[C@@H](NCc1ccc2c(c1)CCN2C)c1ccc(C)o1 124198301 MBWGEIWGFYFZCK-MRXNPFEDSA-N 300.402 3.058 10 10 DGCE CCCC1=NN2C(=N)/C(=C\c3cccc(C)c3)C(=O)N=C2S1 33286437 LYKIFEUUBVUFKO-ZOXWBLRNSA-N 312.398 3.414 10 10 DGCE CCN(Cc1cc(Cl)cc(OC)c1O)[C@H]1CCC[C@@H]1CN 229104155 HMRJHONINKJZPE-RISCZKNCSA-N 312.841 3.004 10 10 DGCE Nc1ccc(CCNC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)cc1 237942286 MHPZCRKXEKVXGF-IAGOWNOFSA-N 314.816 3.385 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1NCc1ccccc1O 230684973 AILHQXKBDJHKDC-DZGCQCFKSA-N 320.433 3.175 10 10 DGCE CCN1CC[C@H](NCc2ccc(N3CCCC3)cc2)[C@@H](C)C1 247224329 WLFCGFDGJAFYMB-LPHOPBHVSA-N 301.478 3.107 10 10 DGCE C[C@H](N[C@@H](C)c1ccc(Br)cc1O)c1cn[nH]c1 273514770 SIVAWAFUYLRBBT-IUCAKERBSA-N 310.195 3.290 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)Nc1nncs1 800913712 LKKZDRUCUXYBBQ-UHFFFAOYSA-N 306.391 3.078 10 10 DGCE CCc1cc(NCc2cc(Br)cc(F)c2O)no1 905412240 SUYHGYBSFULZCS-UHFFFAOYSA-N 315.142 3.456 10 10 DGCE C[C@@H](NC(=O)NC[C@@H]1C[C@H]1C1CC1)c1ccc(N(C)C)cc1 836405409 FYRBRJXFELRJSY-PVUWLOKVSA-N 301.434 3.159 10 10 DGCE CC[C@@](C)(CO)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 847304561 VKKPYNZRIWFFCY-IBGZPJMESA-N 318.461 3.044 10 10 DGCE COc1ccccc1[C@@H](O)CN[C@@H](C)c1ccc(Cl)cc1O 841746261 XBWPRYYRKREOSU-ZBEGNZNMSA-N 321.804 3.438 10 10 DGCE C[C@@H]1C[C@H](NC[C@H](CO)c2ccccc2)c2c(O)ccc(F)c21 756633002 GKGHMPKXOXYLFR-XPKDYRNWSA-N 315.388 3.445 10 10 DGCE COc1ccc(N2CC[C@H](Nc3cccc(Cl)n3)C2)cc1 853758823 KVRDIFADDCPMKN-LBPRGKRZSA-N 303.793 3.434 10 10 DGCE CC[C@@H](NC[C@@H]1CNCCC1(F)F)c1cc(Cl)ccc1O 925777873 RGYSPTAYRLMUKL-GXFFZTMASA-N 318.795 3.331 10 10 DGCE CC[C@@H](N[C@@H](COC)C1CCOCC1)c1ccc(F)cc1O 850494862 YNDVJKJXDWFPRB-CVEARBPZSA-N 311.397 3.014 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@@H](C)c3nc(C)cs3)C2)cc1 858431366 VZIDKWHGWICQQH-UONOGXRCSA-N 317.458 3.390 10 10 DGCE COCC[C@@H](NC(=O)N[C@@H](C)c1ccccc1O)c1ccco1 868486990 NRKKZAQMSMAFHB-GXTWGEPZSA-N 318.373 3.123 10 10 DGCE O=[N+]([O-])c1cc(Cl)cc(CN2CC(Cc3ccco3)C2)c1O 862487172 NWIUXIGODPENKR-UHFFFAOYSA-N 322.748 3.221 10 10 DGCE CCn1cnc2c(N[C@@H](C)c3ccccc3O)nc(Cl)nc21 866239170 SMBAEWBHXRCBAG-VIFPVBQESA-N 317.780 3.378 10 10 DGCE C[C@H]1CC[C@H](C(N)=O)CN1Cc1cc(-c2ccccc2)ccc1O 768443050 YBQMOZWONSGMHX-YOEHRIQHSA-N 324.424 3.145 10 10 DGCE CN(C)c1ccc(/C=C\CNc2ccc(CCC(N)=O)cc2)cc1 1117782626 MSAVRRGZPNEAKM-ARJAWSKDSA-N 323.440 3.296 10 10 DGCE CC[C@H](N[C@H]1C[C@@H]1COC)c1cc(Br)ccc1O 1875843487 QUWTZFTUTPNAOF-ICCXJUOJSA-N 314.223 3.230 10 10 DGCE NC(=O)c1coc(CNCc2cc(-c3ccccc3)ccc2O)c1 778200849 AOAOMYGQYPDYRH-UHFFFAOYSA-N 322.364 3.041 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)Cc1ccc2nc(O)[nH]c2c1 893871718 MMVNSMDMYVSOQE-UHFFFAOYSA-N 324.428 3.357 10 10 DGCE CC1(C)CNCCCN1Cc1cc(Cl)cc(Cl)c1O 1879328452 XXGPJQNTDISPLJ-UHFFFAOYSA-N 303.233 3.273 10 10 DGCE O=C(Cc1ccc2ccccc2c1)NCc1c(O)cccc1O 1156880768 AHSWRFVUZINVIC-UHFFFAOYSA-N 307.349 3.110 10 10 DGCE O=C(NCc1ccc(O)cc1O)c1c[nH]cc1-c1ccccc1 1162271525 IKCXOBFIEYRDEZ-UHFFFAOYSA-N 308.337 3.023 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)[C@H]1CCCc2n[nH]cc21 1179032583 MNDGBJCMAFHJJD-AWEZNQCLSA-N 321.380 3.005 10 10 DGCE Cc1ncccc1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1264287030 HQXKFJFIYQOYPP-UHFFFAOYSA-N 309.413 3.262 10 10 DGCE COc1cccc(CNC(=O)C23CCC(CC2)C3(C)C)c1O 1351665702 FZCFVYIBCREOAC-UHFFFAOYSA-N 303.402 3.233 10 10 DGCE CNc1ccc(C(F)(F)F)cc1C(=O)NCc1ccccc1O 1465990954 YIJYJHWRRLRPMH-UHFFFAOYSA-N 324.302 3.383 10 10 DGCE O=C(NCCc1ccc(O)c(O)c1)c1cscc1C(F)F 1465981370 LOICYHRJUCSRJH-UHFFFAOYSA-N 313.325 3.069 10 10 DGCE C[C@@H]([C@@H](C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)C(C)(C)C 1633817803 BAIZIOLPABGBRV-UPJWGTAASA-N 307.434 3.463 10 10 DGCE Cc1c(C(=O)NCc2c(O)cccc2F)cnc2ccccc12 1638864092 UVJVYOJKIHKBPL-UHFFFAOYSA-N 310.328 3.318 10 10 DGCE C[C@@H](Sc1ccc(F)cc1)C(=O)NCc1cccc(O)c1O 1644711144 UIQMJFJXFNOERS-SNVBAGLBSA-N 321.373 3.034 10 10 DGCE CC(C)[C@@H](Cc1ccccc1)C(=O)NCc1cc(O)ccc1O 1593873713 XLRULEMFTXPSEE-QGZVFWFLSA-N 313.397 3.229 10 10 DGCE CCC[C@H](C(=O)O)N(C)Cc1cc(Cl)cc(Cl)c1O 1964723055 CBOZXQDQQLXJRS-LLVKDONJSA-N 306.189 3.384 10 10 DGCE C[C@@H]1SCCS[C@@H]1c1noc(COc2ccc(N)cc2)n1 161947285 NBUBEGSMERRRKJ-ZANVPECISA-N 323.443 3.140 10 10 DGCE Cc1ccccc1-n1c(C)cc(C(=O)N[C@@H](C)[C@@H](C)CO)c1C 151154288 HZLSGBHOCBRMKZ-ZFWWWQNUSA-N 314.429 3.149 10 10 DGCE CC(=O)[C@@H](C)OC(=O)CCn1c2c(c3ccccc31)CCCC2 1849734626 ZVNZKGGCQKQMSX-CQSZACIVSA-N 313.397 3.431 10 10 DGCE CCc1cccc(CNCc2ncccc2Br)c1O 1659103208 OKMWLXVIPKJMQV-UHFFFAOYSA-N 321.218 3.402 10 10 DGCE [N-]=[N+]=N[C@@H]1CCN(CCOc2ccc(Br)cc2)C1 1912183021 KDISATPUIQEUPD-LLVKDONJSA-N 311.183 3.213 10 10 DGCE CSC[C@@H](C)N(C)c1c(F)cc(C=CC(=O)O)cc1F 1912119611 FLRKPHCCWVMEOC-SECBINFHSA-N 301.358 3.250 10 10 DGCE C[C@@H](OCc1ccccc1)C(=O)N1CCC(CN=[N+]=[N-])CC1 1912173716 PVDSMWQJLMWYJW-CYBMUJFWSA-N 302.378 3.141 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN(CCc2ccc(Br)cn2)C1 1912210102 FCNPZSXNAOWMRG-NSHDSACASA-N 324.226 3.409 10 10 DGCE CC(C)(C)OC(=O)N[C@@](C)(C1CC1)[C@@H](N)c1ccccc1O 1928476733 MHBVLFDVIALEAQ-YOEHRIQHSA-N 306.406 3.085 10 10 DGCE CN[C@@H](c1ccccc1O)C1(N(C)C(=O)OC(C)(C)C)CCC1 1936984764 QIPDLTFSBBHZDS-HNNXBMFYSA-N 320.433 3.442 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2([C@@H](N)c2ccccc2O)C1 1938380305 FVXDIAZFRPAOII-QITLCBANSA-N 318.417 3.039 10 10 DGCE C[C@H](N[C@@H]1CC[C@H]1OCc1ccccc1)c1c(O)cccc1O 1939573709 GQKKJXNQBFGONX-JCKWVBRZSA-N 313.397 3.496 10 10 DGCE Cn1nc(CN[C@@H]2CCc3cccc(O)c32)c(Cl)c1Cl 2150747496 GWCIUWLVTOFXCF-SECBINFHSA-N 312.200 3.210 10 10 DGCE CC1(F)CCN(Cc2cccc(Br)c2O)CC1 1946919059 FZPJQMLBWXNICD-UHFFFAOYSA-N 302.187 3.479 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@@H](O)CC(F)(F)F 1970812169 XVSAYPFDQOKETP-QMMMGPOBSA-N 318.122 3.102 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2C[C@H](C)C(F)(F)C2)c1O 2158389555 XGFDBGCFVVNAHB-QMMMGPOBSA-N 303.736 3.335 10 10 DGCE COCCNCc1sc(Sc2nccs2)cc1C 2039289766 IHVHMIXUZGFOGB-UHFFFAOYSA-N 300.474 3.400 10 10 DGCE COC(=O)[C@@H](NCCN=[N+]=[N-])c1cc(Cl)sc1Cl 312687225 IPWRIIVLRIYHDZ-ZETCQYMHSA-N 309.178 3.169 10 10 DGCE C[C@@H]1SCCS[C@H]1[C@@H](O)c1ccc2c(c1)CCCN2C 2163107333 OBMZVEHFQCVSGO-KNXALSJPSA-N 309.500 3.340 10 10 DGCE C[C@@H](N)c1ccc(N2CCO[C@H](C(F)(F)F)C2)cc1Cl 698813889 QEEDZCGSAAYSQA-PELKAZGASA-N 308.731 3.127 10 10 DGCE CC(C)Cc1cnn([C@@H](C)c2cc([N+](=O)[O-])ccc2O)c1O 2070308702 AUJLKOSBNJCCNC-JTQLQIEISA-N 305.334 3.010 10 10 DGCE C[C@@H](O)c1ccc(N2CC(O)(c3ccsc3)C2)cc1Cl 2193363574 ZRPHNHSRIRIDBJ-SNVBAGLBSA-N 309.818 3.163 10 10 DGCE C[C@H](O)c1ccc(N2CC[C@H](c3nncs3)C2)c(Cl)c1 2196553834 HLNUZDPPADSVRI-ONGXEEELSA-N 309.822 3.239 10 10 DGCE O=C(O)C=Cc1ccc(N2CC(SC(F)F)C2)c(F)c1 2196713727 SPVAUNFYZVBEET-UHFFFAOYSA-N 303.305 3.068 10 10 DGCE CNCc1ccc(N(C)[C@@H]2CCC[C@H]2F)c(Br)c1 2055372871 KUQXGVRIIJNRHS-TZMCWYRMSA-N 315.230 3.495 10 10 DGCE Nc1ccc(COC[C@@H](O)c2cccc(Br)c2)cc1 2113445584 XJIBUECAHPESQP-OAHLLOKOSA-N 322.202 3.282 10 10 DGCE COc1ccc(Br)c(CN[C@@H]2C[C@H](C)[C@H]2C)c1O 2220462828 RGUYZDIUSWEGRM-YGOYTEALSA-N 314.223 3.297 10 10 DGCE CCc1nccnc1CNCc1cc(Cl)cc(Cl)c1O 2236659840 FRAVQZWFMOSGPH-UHFFFAOYSA-N 312.200 3.341 10 10 DGCE C[C@H](c1ccc(Cl)cc1O)N(C)C[C@H](F)[C@@H]1CCOC1 2238371206 XJOUKHGRDWVIMC-GYSYKLTISA-N 301.789 3.413 10 10 DGCE CCCCOc1ccc(C=C2SC(=S)NC2=O)cc1OC 2297321949 IXDMTZCAYXLKIY-UHFFFAOYSA-N 323.439 3.363 10 10 DGCE Cc1ncc(C=CC(=O)N2C[C@@H](C)Oc3cc(F)ccc32)s1 2297666900 TZLSYPDHNCXAKY-SNVBAGLBSA-N 318.373 3.418 10 10 DGCE CCC1=NN(CC(C)C)C(=O)C1=Cc1ccccc1[N+](=O)[O-] 2332144717 HWOUHEFBMRBRSH-UHFFFAOYSA-N 301.346 3.242 10 10 DGCE CO[C@@H]1CC[C@@H](NCc2ccc(C)c(Br)c2O)C1 2327624735 UOANYUKFONSAKS-VXGBXAGGSA-N 314.223 3.120 10 10 DGCE C[C@H](NC[C@H](c1cccs1)N(C)C)c1ccc(O)cc1O 21511937 DBXUZFKMGYBRDE-SMDDNHRTSA-N 306.431 3.113 10 10 DGCE COc1cc([C@H](O)COc2ccc(N)cc2)c(OC)cc1Cl 40352039 MNLNKDYSYTUQDC-CQSZACIVSA-N 323.776 3.052 10 10 DGCE CC(C)N(CC(=O)c1ccc(O)c(O)c1)Cc1cccs1 50150511 RPSMFAVSDZUOGH-UHFFFAOYSA-N 305.399 3.253 10 10 DGCE C[C@@H](NCc1cccc(Br)c1O)c1nccs1 70942405 GIWLYWNYFQQUMO-MRVPVSSYSA-N 313.220 3.462 10 10 DGCE CC(C)N[C@]1(C(=O)O)CCC[C@@H]1CCSc1nccs1 93629964 HSFKMKNQXDJASO-BXUZGUMPSA-N 314.476 3.247 10 10 DGCE CN[C@H](c1ccc(N(C)C)cc1)c1occc1Br 97193440 FCBUUNACVVCBBJ-CYBMUJFWSA-N 309.207 3.417 10 10 DGCE CN(C)c1ccc([C@@H](Cc2ccc(Cl)cc2F)NN)cc1 97796682 XHQYEFVQMLYQIP-MRXNPFEDSA-N 307.800 3.292 10 10 DGCE CCNCc1ccc(N(C)C(C)(C)CO)c(C(F)(F)F)c1 126830803 IQDNNAWRHCLXBJ-UHFFFAOYSA-N 304.356 3.022 10 10 DGCE Cc1cccc(-n2c(C)cc(C(=O)N[C@H](C)[C@H](C)CO)c2C)c1 151809863 CAXRNCHGYQCVQM-UKRRQHHQSA-N 314.429 3.149 10 10 DGCE Nc1ccc(N(C(=O)c2cc(C=O)c[nH]2)c2ccccc2)cc1 170235037 FPRQZZBKCIRAKD-UHFFFAOYSA-N 305.337 3.388 10 10 DGCE CCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1cc(Cl)ccc1O 185682330 SRFNPYJEFYZOGE-GWCFXTLKSA-N 320.824 3.385 10 10 DGCE COc1cc2c(cc1OC)[C@@H](CCc1ccc(N)cc1)NCC2 208615377 LSDIRVOOZVIJJP-QGZVFWFLSA-N 312.413 3.106 10 10 DGCE COc1ccc(O)c(CNc2cccnc2Br)c1 234969322 NHBNEXDCUJBZAI-UHFFFAOYSA-N 309.163 3.170 10 10 DGCE CC(=O)N(C(=S)Nc1cc(C)ccc1O)c1ccc(N)cc1 244173230 VESXOCMPBDSNTR-UHFFFAOYSA-N 315.398 3.033 10 10 DGCE C[C@H](NCCc1cn[nH]c1)c1ccc(Cl)c(Cl)c1O 289787327 NAQIWOKYJDAOEC-QMMMGPOBSA-N 300.189 3.315 10 10 DGCE C[C@H](NCc1ccc(N(C)C)cc1)[C@@H](C)NC(=O)OC(C)(C)C 381816793 CTXOJIRFOLELQC-UONOGXRCSA-N 321.465 3.144 10 10 DGCE C[C@H](N)c1ccc(N(C)CCOCc2ccccc2)c(F)c1 384140436 YOTBPJKLFVGTNK-AWEZNQCLSA-N 302.393 3.498 10 10 DGCE C[C@H](NCCCOCc1ccccc1)c1ccc(O)cc1O 390081906 CMOJZBQZGZSCRH-AWEZNQCLSA-N 301.386 3.355 10 10 DGCE CCC[C@@H](N)[C@H](N)c1ccc(OCc2ccccc2)cc1O 713738000 FSBTUYWHRBUBMP-SJLPKXTDSA-N 300.402 3.098 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCOC[C@@H]2C)cc1 766372920 HBKKRISNXXUWAP-YJBOKZPZSA-N 318.461 3.164 10 10 DGCE COc1cccc(O)c1CN1C[C@H](c2ccccc2)O[C@H](C)C1 769107122 UDNLVSKWOBVIRU-AUUYWEPGSA-N 313.397 3.363 10 10 DGCE CCOC(=O)[C@H]1CCCCN1Cc1cc(Cl)cc(C)c1O 775643611 SPDZNKPQUQSZBU-CQSZACIVSA-N 311.809 3.272 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2Cc1ccc(-c2cc[nH]n2)o1 789749704 UEMYQLLXQYQBIK-UHFFFAOYSA-N 324.384 3.135 10 10 DGCE O=C(NCc1cc(Br)ccc1O)[C@@H]1[C@H]2CCCC[C@H]21 804739642 MZSOARXOYUTLAW-IMRBUKKESA-N 324.218 3.207 10 10 DGCE CC(C)[C@@H](NC[C@H](N)c1ccc(N(C)C)cc1)c1cccnc1 817944145 XOZWQGRAHZERDQ-RBUKOAKNSA-N 312.461 3.134 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCO[C@@H](C(F)(F)F)C2)cc1 835025875 MICGULCIEYDTHJ-ABCZVMIZSA-N 314.351 3.029 10 10 DGCE Cc1cccc(NCCNC/C=C\c2ccc(N(C)C)cc2)n1 835044817 PNOYXUAIJMSLQR-ALCCZGGFSA-N 310.445 3.171 10 10 DGCE CN(C)c1ccc(/C=C\CNCC2(N)CCCCCC2)cc1 841041754 ADCIGGQTCNAZMV-FPLPWBNLSA-N 301.478 3.407 10 10 DGCE CN(C)c1ccc(CN2CCc3cccc(C(=O)O)c3C2)cc1 846276602 WSTUONFWWIGVEE-UHFFFAOYSA-N 310.397 3.009 10 10 DGCE COc1ccc(O)c(CN2C[C@@H](C)OC3(CCCCC3)C2)c1 848929303 VOAYPKHNWNUSPB-CQSZACIVSA-N 305.418 3.324 10 10 DGCE CN(C)c1ccc(CN[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)cc1F 850409300 QDRLVIQQKQHTOR-AYOQOUSVSA-N 314.379 3.459 10 10 DGCE CCCC[C@H](COC)N[C@H]1CCN(c2ccc(OC)cc2)C1 850488904 PDNQXYRPVIPUGU-JKSUJKDBSA-N 306.450 3.069 10 10 DGCE C[C@@H](NCC1(CC(N)=O)CCCCC1)c1cc(F)ccc1O 850572092 AFNKFFBYDJYLRC-GFCCVEGCSA-N 308.397 3.008 10 10 DGCE COc1c([N+](=O)[O-])ccc(CNCC[C@@H]2CC=CCC2)c1O 862498472 JSEJCYSKXUATLI-GFCCVEGCSA-N 306.362 3.145 10 10 DGCE O=C1/C(=C/c2ccc(C(F)F)nc2)SC(=S)N1C1CC1 864356638 SLTARDSLNMCTAG-YHYXMXQVSA-N 312.366 3.383 10 10 DGCE CC[C@H](NCc1cc(Cl)c(F)cc1O)[C@H]1CCCOC1 895661967 BSDVUESFIIUWKO-HZMBPMFUSA-N 301.789 3.480 10 10 DGCE C[C@H](CC(=O)NCc1ccc2c(c1)CCCN2C)C(F)(F)F 1118811693 GSOPRPDBSMFUTJ-LLVKDONJSA-N 314.351 3.274 10 10 DGCE Cc1nc2ccc(C(=O)N3Cc4cccc(O)c4C3)cc2nc1C 1152564541 HCZSCKHEJMYBTL-UHFFFAOYSA-N 319.364 3.108 10 10 DGCE COc1ccc2c(c1)CCCCN2C[C@@H](O)Cc1ccccc1 1168243037 AMFFTAGDCNTIDL-SFHVURJKSA-N 311.425 3.442 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2cc(O)c3ccccc3c2)c1 1301046741 JLTZAYCQXMVWBF-UHFFFAOYSA-N 307.349 3.489 10 10 DGCE COc1ccc(CNC[C@@H](C)N(C)C(=O)CCC2CC2)cc1C 1319435220 AVZOHPQPWJVULQ-OAHLLOKOSA-N 318.461 3.130 10 10 DGCE CCOC(=O)CN(Cc1ccccc1O)C[C@@H]1CC[C@@H]2C[C@@H]2C1 1473572451 TXPCJJGGAHTCSG-INMHGKMJSA-N 317.429 3.194 10 10 DGCE C[C@H](NC(=O)NCc1ncc(Cl)s1)c1ccccc1O 1479216732 YKBGLOVQPQDPJN-QMMMGPOBSA-N 311.794 3.063 10 10 DGCE Cc1nnc(-c2ccc(C(=O)N[C@H](C)c3ccccc3O)cc2)o1 1557967086 VIBASRHSONADRH-LLVKDONJSA-N 323.352 3.242 10 10 DGCE CC(C)COc1ncccc1C(=O)N[C@@H](C)c1ccccc1O 1557968402 YAAASEHIWLXBHV-ZDUSSCGKSA-N 314.385 3.313 10 10 DGCE COc1ccc(CN[C@@H](C)CNC(=O)C2CCCCC2)cc1C 1566994547 GWHBGUKNGYJKRP-HNNXBMFYSA-N 318.461 3.178 10 10 DGCE COc1ccc(CN[C@@H](C)[C@@H](C)NC(=O)CCC(C)C)cc1C 1570586914 FCUHNRGFTHIUHV-JKSUJKDBSA-N 320.477 3.423 10 10 DGCE C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1O 1587445112 WCCIXLNFQYRAAK-SECBINFHSA-N 320.732 3.445 10 10 DGCE COc1ccc(CN[C@@H](C)CCNC(=O)CC(C)(C)C)cc1C 1674168350 QQHBJPREAFZFHK-HNNXBMFYSA-N 320.477 3.424 10 10 DGCE CCCN1C(=O)/C(=C\c2cccc(OCC)c2O)SC1=S 1858588667 RINJVBYDEVEGFT-FMIVXFBMSA-N 323.439 3.402 10 10 DGCE CCCN1C(=O)/C(=C\c2cccc(OC)c2OC)SC1=S 1858588757 YGFLMXHSQGDLAJ-FMIVXFBMSA-N 323.439 3.315 10 10 DGCE CCCCOC(=O)c1cccc(N2C(=O)CSC2=S)c1 1860074963 BRBWHJKQTCQSOA-UHFFFAOYSA-N 309.412 3.008 10 10 DGCE CN1C(=O)COc2cc(NN=NCCc3ccccc3)ccc21 1860494138 RRCBUGGNCUWVME-UHFFFAOYSA-N 310.357 3.064 10 10 DGCE CN1N=C(c2ccccc2)/C(=C/c2ccc(N(C)C)cc2)C1=O 1865654251 MOLUPRMKGKIOGY-LGMDPLHJSA-N 305.381 3.012 10 10 DGCE COc1cc(Cl)cc(CNC[C@@H](F)C(F)(F)F)c1O 1876096722 YFRSGRIWKODHQN-SECBINFHSA-N 301.667 3.044 10 10 DGCE CC1=C(Br)CCN(C(=O)CCc2ccc(N)cc2)C1 1893048902 SYOVTLFIRDQHPG-UHFFFAOYSA-N 323.234 3.103 10 10 DGCE CN(CP(C)(C)=O)c1ccc(C=CC(=O)O)cc1Cl 1899536580 SLRFLECKDBHMPV-UHFFFAOYSA-N 301.710 3.454 10 10 DGCE [N-]=[N+]=NCCNC(=O)C=Cc1cc(Br)ccc1F 1911834404 IIBJPKBQLCQFIX-UHFFFAOYSA-N 313.130 3.028 10 10 DGCE [N-]=[N+]=NCCCOc1ccc(Br)c([N+](=O)[O-])c1 1912205691 PSTJQSHMGLYJRY-UHFFFAOYSA-N 301.100 3.437 10 10 DGCE CNCc1ccc(N2CC(N(C)Cc3ccccc3)C2)cc1C 1914223588 OVZGBJXAZFGDJL-UHFFFAOYSA-N 309.457 3.035 10 10 DGCE C[C@H](N)c1ccc(N(Cc2ccccc2)[C@@H](C)CCO)cc1O 1915401812 XTYCZHPQQLZSND-GJZGRUSLSA-N 314.429 3.189 10 10 DGCE C[C@H](O)c1ccc(N(Cc2ccccc2)C(C)(C)CO)cc1O 1915628972 UWSLGIFCKWQTDJ-AWEZNQCLSA-N 315.413 3.223 10 10 DGCE COc1cccc(CNc2csnc2Br)c1O 1926858719 LHUDCYLPEFMJAQ-UHFFFAOYSA-N 315.192 3.232 10 10 DGCE CN[C@H](c1ccccc1O)[C@@H]1C=C[C@H](NC(=O)OC(C)(C)C)C1 1936971950 BVPOKIWGXBAWQB-WWGRRREGSA-N 318.417 3.122 10 10 DGCE CC(C)(C)OC(=O)N[C@H](CN)c1cc(Cl)cc(Cl)c1O 1951473006 KHKMSSPHALFOLR-SNVBAGLBSA-N 321.204 3.224 10 10 DGCE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1CCCCN=[N+]=[N-] 1962299174 LENLWQUWZQGINE-BETUJISGSA-N 311.430 3.407 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCN1CCN=[N+]=[N-] 1962302790 CDNWUZVKOVPXLO-STQMWFEESA-N 309.414 3.161 10 10 DGCE C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CCN1CCCN=[N+]=[N-] 1962303900 JSIMKDPTQPWYKQ-QWHCGFSZSA-N 311.430 3.312 10 10 DGCE Cc1cccc(O)c1CNCCC1CN(C(=O)OC(C)(C)C)C1 1971313861 OGMOLIIRIAGTSD-UHFFFAOYSA-N 320.433 3.047 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H]2CN(c3ccc(N)cc3)CC[C@H]21 1977967504 HDCRAPYVSDVGBN-XJKSGUPXSA-N 317.433 3.105 10 10 DGCE C[C@@H](N)c1cc(F)c(N(CCCO)Cc2ccccc2)c(F)c1 1990439431 JDZQFKPRKLFQAH-CYBMUJFWSA-N 320.383 3.374 10 10 DGCE C[C@@H]1CCO[C@@H]1CN(C)Cc1ccc(Br)cc1O 2034985725 QMVQFAXFVQYYSN-QMTHXVAHSA-N 314.223 3.012 10 10 DGCE CN(c1ccc(CN)c(Br)c1)C1CC(C(F)F)C1 2035706611 GBYUZOLSVOJYMX-UHFFFAOYSA-N 319.193 3.388 10 10 DGCE COc1ccc(C=C2SC(=S)NC2=O)c2ccccc12 2053498306 KYJIVSTXTVRGBR-UHFFFAOYSA-N 301.392 3.337 10 10 DGCE CNCc1cc(CC(C)C)nn1[C@H](C)c1ccc(F)cc1O 2070058774 PGPFOTWRQBPQJV-GFCCVEGCSA-N 305.397 3.255 10 10 DGCE CC(C)(C)c1c(C2(C)CC2)nn(-c2ccc(O)c(O)c2)c1N 2079774299 ALSWEKFMBALNEZ-UHFFFAOYSA-N 301.390 3.215 10 10 DGCE CCc1nnc(Sc2ncc(CNCC(C)C)s2)s1 2099106917 GHKDWGPUTHDMEP-UHFFFAOYSA-N 314.505 3.454 10 10 DGCE Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)s1 2155550086 CQHZEOSZUNZCEE-LLVKDONJSA-N 314.436 3.218 10 10 DGCE CCN1CCc2cc([C@H](NN)c3ccsc3Cl)ccc21 2176407265 BVGATNWMXIMBJX-AWEZNQCLSA-N 307.850 3.337 10 10 DGCE O=C(O)CC1=CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 2181680218 CQFBBJFDIVKOCS-UHFFFAOYSA-N 316.184 3.306 10 10 DGCE C[C@H]1C[C@@H](N(C)c2ccc(CN)cc2C(F)(F)F)CS1 2189462225 NLLYICWBDGJAFM-GXSJLCMTSA-N 304.381 3.494 10 10 DGCE C[C@@H](Nc1cn(C)nc1Br)c1ccc(F)cc1O 2223020439 UUKQCLBLPUUVKN-SSDOTTSWSA-N 314.158 3.200 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)c2cc(Cl)cnc2Cl)C1 2228450230 KSGIBLICSLDHOV-ZETCQYMHSA-N 300.149 3.161 10 10 DGCE CCNCc1ccc(N(C)C2CSCCSC2)c(F)c1 2237060579 CTNXVXXNNPYPOS-UHFFFAOYSA-N 314.495 3.220 10 10 DGCE O=C1C(=Cc2ccccc2)SC(=S)N1C[C@H]1CCCO1 2323744609 RUYIUTHXMSKCGN-GFCCVEGCSA-N 305.424 3.067 10 10 DGCE Cc1ccc(CNCc2conc2C)c(O)c1Br 2327797998 BBXXSIKZULWQQR-UHFFFAOYSA-N 311.179 3.049 10 10 DGCE CCCC1=NN(CC(C)C)C(=O)C1=Cc1ccc(OC)c(O)c1 2332100014 BULHQEUJDZZDND-UHFFFAOYSA-N 316.401 3.439 10 10 DGCE CCC1=NN(c2ccccn2)C(=O)C1=Cc1cc(C)ccc1O 2332105159 CWHMBQVBSBUZKM-UHFFFAOYSA-N 307.353 3.292 10 10 DGCE CCCN1N=C(c2ccc(OC)cc2)C(=Cc2ccco2)C1=O 2332127827 LZBJHXYYIKAQFH-UHFFFAOYSA-N 310.353 3.328 10 10 DGCE Nc1ccc(OCCC(=O)Nc2ccc(Cl)cc2F)cc1 40314791 MBJFZJNPGXKBLE-UHFFFAOYSA-N 308.740 3.469 10 10 DGCE CN(C)c1ccc2c(c1)[C@@H](CN)N(C1(c3ccccc3)CC1)C2 71683312 GURKQKDHDYUPPX-LJQANCHMSA-N 307.441 3.257 10 10 DGCE CN1Cc2ccc(/N=N/c3c(C(F)(F)F)n[nH]c3O)cc2C1 75892269 JVCZDIWRSLXMNC-ISLYRVAYSA-N 311.267 3.495 10 10 DGCE Oc1ccc(CNCc2sccc2Br)c(O)c1 112838191 SBECQVQDQLNXRM-UHFFFAOYSA-N 314.204 3.212 10 10 DGCE O=C(O)c1cc(Sc2nccs2)c([N+](=O)[O-])cc1F 122112004 VSBHYWPZUGSZGU-UHFFFAOYSA-N 300.292 3.040 10 10 DGCE C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccncc1 125157996 GAPZZAGXPNCTDJ-HNNXBMFYSA-N 322.412 3.018 10 10 DGCE COc1ccc(CNC2CC2)cc1COCCC(F)(F)F 125434534 DVSVENFRWJKIBC-UHFFFAOYSA-N 303.324 3.416 10 10 DGCE Oc1cc2c(cc1CN1CCC(CN3CCCC3)CC1)CCC2 172480872 KYCNONXYUVJXST-UHFFFAOYSA-N 314.473 3.189 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCC(C)(C)O1 188183500 USDIFZRRVGHQQQ-HNNXBMFYSA-N 320.433 3.271 10 10 DGCE CC(C)[C@H]1C[C@@H](NCc2cc(Cl)c(F)cc2O)CCO1 293667232 QBZIJEITDBRIDE-XHDPSFHLSA-N 301.789 3.478 10 10 DGCE Nc1ccc(CN2C[C@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cc1 380110496 ZIZUFFBOSZFCRK-WOJBJXKFSA-N 321.468 3.223 10 10 DGCE C[C@@H]1CC[C@H](N(C)Cc2cccc(Br)c2O)CO1 401534383 RCTIXDLHDFSAPA-PWSUYJOCSA-N 314.223 3.154 10 10 DGCE CC1(C)OCC[C@@H]1CNCc1cc(Br)ccc1O 693063020 BQFVNIJFIQMUCD-LLVKDONJSA-N 314.223 3.059 10 10 DGCE CS[C@H]1CC[C@H]1NCc1cc(Br)cc(F)c1O 715739310 SNJBTBYKMSNCMF-MNOVXSKESA-N 320.227 3.277 10 10 DGCE C[C@H](NCc1nccn1CC(F)(F)F)c1cc(F)ccc1O 756539933 XINQUSWTVUSQHF-VIFPVBQESA-N 317.286 3.141 10 10 DGCE Cc1ccc(N2C(=O)/C(=C\c3cncnc3)SC2=S)cc1 781107104 PQCZABQXMFZFIH-AWNIVKPZSA-N 313.407 3.191 10 10 DGCE COc1ccc(N2CC[C@H](CN[C@H](C)Cc3ccoc3)C2)cc1 818341910 IVSVVJJJZQCSGI-NVXWUHKLSA-N 314.429 3.335 10 10 DGCE CO[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)C1CCCCC1 824669338 JHPCWBCHLWXYDD-KRWDZBQOSA-N 322.424 3.103 10 10 DGCE CN(C)c1ccc(/C=C/CNC[C@@](C)(O)c2cccs2)cc1 835039477 FHYWNRKMQUNMKX-MJICGBHWSA-N 316.470 3.325 10 10 DGCE C[C@@H](C(=O)NC(C)(C)C)N(C)C/C=C\c1ccc(N(C)C)cc1 835045881 LGXUNBZVHPIBMB-CDNLZTBQSA-N 317.477 3.001 10 10 DGCE Oc1cccc2c1[C@@H](N[C@@H]1CCO[C@H](c3ccncc3)C1)CC2 846205025 XDLXYAVFJGGSSX-RYRKJORJSA-N 310.397 3.284 10 10 DGCE CC1(C)[C@H](CNCc2cc(Cl)cc([N+](=O)[O-])c2O)C1(F)F 850393381 BPRYUBZIXMQIOM-JTQLQIEISA-N 320.723 3.335 10 10 DGCE CCOc1ccc(O)c(CN[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)c1 850409120 LFTSOCIZPJGALB-NZSAHSFTSA-N 313.372 3.358 10 10 DGCE Oc1cc2c(cc1CN1CC3(CCC3)[C@H]1c1ccncc1)OCO2 853629662 LSLVXBFZBWMWBT-GOSISDBHSA-N 324.380 3.243 10 10 DGCE CC[C@H](NCC(C)(C)C(=O)N1CCCC1)c1ccc(C)cc1O 858541120 SSLZATJSQCPCCU-INIZCTEOSA-N 318.461 3.390 10 10 DGCE CN(C)CC[C@H](N[C@@H]1CCc2cccc(O)c21)c1cccnc1 903381371 WBCQKNTVVGNJGZ-DLBZAZTESA-N 311.429 3.057 10 10 DGCE C[C@@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)n1cccc1 1540486865 DIFVEEAJOXWTJO-INIZCTEOSA-N 311.429 3.308 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N2CCc3sccc3C2)cc1 1540558630 UHOOFFDGZHOYEY-UHFFFAOYSA-N 314.370 3.109 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)c1nccc(Cl)c1F 1543310137 PWLXFUNHWHZBIA-UHFFFAOYSA-N 321.783 3.179 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC1CC=CC1 1557366162 JGBCONVHIGTTTN-UHFFFAOYSA-N 308.381 3.355 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)NCC[C@@H](C)N(C)C)cc1 1584189518 DXDXWHURRFDSAW-CQSZACIVSA-N 313.445 3.164 10 10 DGCE COc1cccc(CN[C@H]2CCC[C@@H]2Cc2cc(C)no2)c1O 1615852546 QAIORNXVGJQYOO-CJNGLKHVSA-N 316.401 3.198 10 10 DGCE O=C(NCc1c(O)cccc1F)c1cc(F)c(F)c(F)c1F 1635360971 URDCTHUOHBNFTB-UHFFFAOYSA-N 317.213 3.018 10 10 DGCE COc1ccc2cc(C(=O)NCc3ccc(O)cc3O)ccc2c1 1638347807 LARPKZZSSKOWMM-UHFFFAOYSA-N 323.348 3.190 10 10 DGCE CN(C)c1ccc([C@](C)(CCCO)NC(=O)OC(C)(C)C)cc1 1927320566 XFYQQDVETXRSJJ-SFHVURJKSA-N 322.449 3.265 10 10 DGCE CCN[C@@H](c1ccccc1O)C(C)(C)NC(=O)OC(C)(C)C 1928471804 XCOJVRUEXZQDHT-AWEZNQCLSA-N 308.422 3.346 10 10 DGCE CNCc1ccc(N2CC(OCc3ccccc3)C2)c(Cl)c1 1958965706 PKRDBWFKIKTNLN-UHFFFAOYSA-N 316.832 3.465 10 10 DGCE C[C@@H]1C[C@H](Nc2ccc(N)cc2)CN(C(=O)OC(C)(C)C)C1 1959359739 PGXPRIFCJPUFLG-DOMZBBRYSA-N 305.422 3.326 10 10 DGCE Cc1cccc(O)c1CN[C@H]1CN(Cc2ccccc2)C[C@@H]1C 1963063758 FKJLXCPWIYUCGS-LPHOPBHVSA-N 310.441 3.311 10 10 DGCE CN[C@H](c1ccc(N(C)C)cc1)[C@@H](C)N(C)C(=O)OC(C)(C)C 1977946876 YXELMPALCDMDDQ-CJNGLKHVSA-N 321.465 3.269 10 10 DGCE C[C@H](NCC1(N(C)C(=O)OC(C)(C)C)CC1)c1ccccc1O 1988064362 SNHBKKAHBVZPSH-ZDUSSCGKSA-N 320.433 3.442 10 10 DGCE Cc1ccc(CN[C@@H](CNC(=O)OC(C)(C)C)C(C)C)c(O)c1 1994457541 CVJNKXLGZMXFRW-HNNXBMFYSA-N 322.449 3.340 10 10 DGCE C[C@H](F)[C@@H]1CCCN1c1ccc(CO)cc1Br 2010503020 ZGBIZGMZTUKTSX-CABZTGNLSA-N 302.187 3.268 10 10 DGCE C[C@H](O)c1ccc(N2C[C@H]3C[C@H]2[C@@H]2C[C@@H]32)cc1Br 2041509965 AGOHZSALKXPWCT-AHORFVQGSA-N 308.219 3.347 10 10 DGCE Cc1oc(Br)cc1[C@@H](N)c1ccc(N(C)C)cc1 2044708714 PMXWUSSRQSYCBV-AWEZNQCLSA-N 309.207 3.465 10 10 DGCE CCCCN(C(=O)c1cnn2c(O)cc(C)nc12)c1ccccc1 2062012672 MZUORZVXTILFEA-UHFFFAOYSA-N 324.384 3.190 10 10 DGCE Cc1cc(C(=O)NC2CC2)n([C@@H](C)c2cc(C)c(C)cc2O)n1 2070075693 GFXDEYUUDHOZCX-ZDUSSCGKSA-N 313.401 3.015 10 10 DGCE CN1CCCc2cc([C@H](N)c3occc3Br)ccc21 2098390479 QCYDVQXYWWFARK-AWEZNQCLSA-N 321.218 3.473 10 10 DGCE CN(C)c1ccc([C@@](C)(O)c2ccc(Br)cn2)cc1 2106799319 UZGOFIUHEZTJEV-OAHLLOKOSA-N 321.218 3.166 10 10 DGCE CCN[C@H](C)c1ccc(N(C)Cc2csnn2)cc1Cl 2150281928 NHUOIBQPXPDANR-SNVBAGLBSA-N 310.854 3.498 10 10 DGCE CCC[C@H]1C[C@@H](N(C)c2cc(Cl)c(CN)cc2F)CO1 2185706507 QNUZHIHMKJKARV-NEPJUHHUSA-N 300.805 3.332 10 10 DGCE CC(C)[C@H]1COCCN1Cc1cccc(Br)c1O 2223622041 MDJKCUXOLAVWKS-CYBMUJFWSA-N 314.223 3.012 10 10 DGCE COc1ncc(CN(C)c2ccc([C@H](C)O)cc2Cl)s1 2239978336 YRIXLAGBNSMPEQ-VIFPVBQESA-N 312.822 3.495 10 10 DGCE C[C@@H](O)c1ccc(N(C)CC[C@@H]2CCO2)c(Br)c1 2264016403 UIJJKLGCYGUTRT-ZYHUDNBSSA-N 314.223 3.118 10 10 DGCE COc1c([C@H](N)c2ccc3c(c2)CCN3C)csc1Cl 2284284364 DXGQISRSVVQEIJ-CYBMUJFWSA-N 308.834 3.451 10 10 DGCE CNCc1ccc(N2CCc3ncsc3CC2)c(Cl)c1 2287243461 OWADBKGFKDISLL-UHFFFAOYSA-N 307.850 3.121 10 10 DGCE O=C(C=Cc1cncc(F)c1)N1CCc2c(Cl)cccc21 2298563696 JOSKQRXHGPVSEK-UHFFFAOYSA-N 302.736 3.477 10 10 DGCE CCCOCCN(C)Cc1ccc(C)c(Br)c1O 2327604295 WRFVQMLJQFTUKE-UHFFFAOYSA-N 316.239 3.322 10 10 DGCE Cc1ccc(CNC[C@@H](C)OC(F)F)c(O)c1Br 2327623024 CPSPWGVNVORONF-MRVPVSSYSA-N 324.165 3.180 10 10 DGCE CCN1CCN(N=Nc2ccc(N3CCCCC3)cc2)CC1 2330217125 KENLXSFCUPJREO-UHFFFAOYSA-N 301.438 3.313 10 10 DGCE CCCC1=NN(CCC)C(=O)C1=Cc1ccc(C(=O)O)cc1 2332139302 RLNKVUBVWKWDID-UHFFFAOYSA-N 300.358 3.177 10 10 DGCE CC[C@H](NCc1ccc(C)c(Br)c1O)c1ncc[nH]1 2352682790 BBDACCYOOBENPF-NSHDSACASA-N 324.222 3.427 10 10 DGCE CNCc1ccc(OC)c(CN(CC(F)(F)F)C(C)C)c1 50125363 VOGYWXHPVKNXMH-UHFFFAOYSA-N 304.356 3.187 10 10 DGCE C[C@@H](CN[C@H](C)c1cc(O)ccc1O)N(C)C(=O)OC(C)(C)C 304281048 MGRAAEYIXHCVCR-NWDGAFQWSA-N 324.421 3.004 10 10 DGCE Cc1ccc(O)c(NC2=NC(=O)/C(=C/c3ccco3)S2)c1 210612585 AWXLYDODTFHDEM-JYRVWZFOSA-N 300.339 3.376 10 10 DGCE Oc1ccsc1-c1nc(-c2ncccc2Br)no1 122246561 ZNAYXUJDIFTLBG-UHFFFAOYSA-N 324.159 3.328 10 10 DGCE COc1cc(C)cc(CN(C)C[C@@H](C)c2nccs2)c1O 182851313 JJFNECAYMJOHEP-GFCCVEGCSA-N 306.431 3.401 10 10 DGCE O=[N+]([O-])c1ccc(O)c(CNc2ccc(C(F)(F)F)nc2)c1 184841282 WEECTXQTNMTKLT-UHFFFAOYSA-N 313.235 3.326 10 10 DGCE COC(=O)Cc1nc2c(C)cccn2c1/N=N\c1cccc(O)c1 71581836 AWPOVKRNXGYCIY-VXPUYCOJSA-N 324.340 3.479 10 10 DGCE CN(C[C@H]1CCN(Cc2ccccc2)C1)c1ccc(CN)cc1 382780345 RHMKAFWPOUYKJF-LJQANCHMSA-N 309.457 3.104 10 10 DGCE NC1(CN[C@H]2CCc3cccc(O)c32)C2CC3CC(C2)CC1C3 817983327 AGTJGFNZWGFBAV-KHDTYFSGSA-N 312.457 3.123 10 10 DGCE C[C@@H](N[C@@H]1CCCCNC1)c1ccc(Cl)c(Cl)c1O 817983920 LSYJGMWPCIVLCX-NXEZZACHSA-N 303.233 3.492 10 10 DGCE CC[C@H](N[C@@H]1CCc2nc[nH]c2C1)c1cc(Cl)ccc1O 810254767 RATAAMQJJXUWJW-YPMHNXCESA-N 305.809 3.367 10 10 DGCE Cc1csc(C)c1S(=O)(=O)Nc1ccc(O)cc1F 725068453 VMYOBTYRFISEOA-UHFFFAOYSA-N 301.364 3.010 10 10 DGCE Cc1ccc(O)c(CN2C[C@H](c3ccccc3)[C@](F)(CO)C2)c1 824636472 QRRXUISUBNFAKA-IEBWSBKVSA-N 315.388 3.001 10 10 DGCE Cc1cc(O)c(CNCC2(CF)CCOCC2)cc1Cl 826061844 DQXSQAHGKYZVHE-UHFFFAOYSA-N 301.789 3.210 10 10 DGCE CC[C@H](COCC1CC1)NCc1cc(Cl)c(F)cc1O 826867452 JSXIQGOLNRRVOW-GFCCVEGCSA-N 301.789 3.480 10 10 DGCE Cc1cccc(CNCC2(C(=O)OC(C)(C)C)CCC2)c1O 827757897 PRLFZRQAEKNIMR-UHFFFAOYSA-N 305.418 3.302 10 10 DGCE Oc1ccc(F)cc1CNC[C@@H]1C[C@H](c2ccccc2)CO1 827237701 WJRAAVIGOJZRCL-RDJZCZTQSA-N 301.361 3.194 10 10 DGCE CCc1cccc2c(CC(=O)NCc3ccccc3O)c[nH]c12 731808788 GWZKWRFINWWOJX-UHFFFAOYSA-N 308.381 3.295 10 10 DGCE CCN(CC)c1ccc(CNCCC(=O)OC(C)(C)C)cc1F 742372738 VNOOTLINSRHZMA-UHFFFAOYSA-N 324.440 3.493 10 10 DGCE CNCc1ccccc1CNCc1cc(Cl)cc(C)c1O 844904394 KMCBGHBCNAMOMP-UHFFFAOYSA-N 304.821 3.363 10 10 DGCE COc1ccnc(CN[C@H](C)c2cc(Cl)ccc2O)c1F 850536975 LLHPGUNGOKSANB-SECBINFHSA-N 310.756 3.439 10 10 DGCE Cc1ccsc1[C@H](CO)N[C@H](C)c1cc(F)cc(F)c1O 756735692 GYTCIEMOMLXBQD-RNCFNFMXSA-N 313.369 3.425 10 10 DGCE C[C@H]1C[C@@H]1COC(=O)c1csc(Cc2ccc(N)cc2)n1 859633299 XNCRRLPULXGBIA-CMPLNLGQSA-N 302.399 3.129 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)c2oc(C3CC3)nc2C)c1 759959528 UKLCASVBWVJBQX-VIFPVBQESA-N 316.357 3.066 10 10 DGCE CC[C@@H](C)n1ncc(C(=O)NCc2cc(C)ccc2O)c1C 862757029 DYNCRZYXXDQHSH-GFCCVEGCSA-N 301.390 3.107 10 10 DGCE CCOc1ccc(CN2CC[C@H](c3ccc(O)cc3)C2)c(O)c1 862540491 GRPTYRXHMFWXPW-HNNXBMFYSA-N 313.397 3.486 10 10 DGCE COc1cc(C)c(NC(=O)c2ccc(C)c(O)c2O)cc1C 769699756 KHNTXBCXVNLZSH-UHFFFAOYSA-N 301.342 3.284 10 10 DGCE C[C@H](NC(=O)N[C@@H](C1CC1)[C@@H]1CCCCO1)c1ccccc1O 868750276 ITHYMCUNPZZAPO-ZLIFDBKOSA-N 318.417 3.100 10 10 DGCE CN(Cc1ccc(N)cc1)c1cc(F)cc(Br)c1N 1876335350 MREQUWGRYQANDV-UHFFFAOYSA-N 324.197 3.389 10 10 DGCE Oc1cc2c(cc1CN[C@H]1CCc3c(F)cccc31)OCO2 886362802 NYTZRRPZTGSPEK-AWEZNQCLSA-N 301.317 3.037 10 10 DGCE C[C@@H](NC(=O)c1c(F)ccc(O)c1O)c1ccc(Cl)s1 789953230 PUTWBDMSYMKGQM-ZCFIWIBFSA-N 315.753 3.443 10 10 DGCE CN(Cc1ccccc1O)Cc1ccc(N)cc1Br 1877516975 BNZPTIWMIHIZHQ-UHFFFAOYSA-N 321.218 3.369 10 10 DGCE O=C(N[C@H](C1CCCCC1)C(F)(F)F)c1cccc(O)c1O 1148898509 DXOPNWCSRHDUED-CYBMUJFWSA-N 317.307 3.339 10 10 DGCE CNC(=O)C[C@H](N[C@H](C)c1ccc(F)cc1O)c1ccccc1 795848854 AQFXRANGZNOEEZ-WBMJQRKESA-N 316.376 3.059 10 10 DGCE C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1cccc(C2CC2)c1 1141451082 NXMWAOODLVIBHA-LBPRGKRZSA-N 311.381 3.395 10 10 DGCE Cc1cccnc1[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1159270928 KSGPHTTZGNFLPH-LLVKDONJSA-N 311.345 3.043 10 10 DGCE CCCOc1ccc(N2CC[C@@H](CNCCCCCO)C2)cc1 76371071 KCVLDOGJPMZHAO-KRWDZBQOSA-N 320.477 3.054 10 10 DGCE Cc1cccc(CN[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)c1O 398005256 GRDZMXAUVPVJRG-QFBILLFUSA-N 310.441 3.453 10 10 DGCE COCC1(N(C)c2ccc([C@@H](C)O)c(Br)c2)CC1 706383973 DKSKJSCJPXMRSN-SNVBAGLBSA-N 314.223 3.118 10 10 DGCE COc1ccc(CNC[C@H](C)NC(=O)[C@H]2CCC2(C)C)cc1C 1321955974 KQMLLULFZBJKNJ-GOEBONIOSA-N 318.461 3.034 10 10 DGCE O=S(=O)(CC(F)(F)F)Nc1cc(Cl)c(O)c(Cl)c1 695102312 RLBOVXPTLMVFLH-UHFFFAOYSA-N 324.107 3.003 10 10 DGCE C[C@H]1CN(Cc2cc(Cl)ccc2O)C[C@](C)(C(F)F)O1 698930092 YRDBZNBOBKENDQ-LKFCYVNXSA-N 305.752 3.290 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)NCc1ccc(C2CCC2)cc1 1447730119 WKKNPHSPDHNIQU-UHFFFAOYSA-N 311.381 3.224 10 10 DGCE CN(C)c1ccc(CNC(=O)c2ccc(Cl)c(O)c2)cc1F 1442470970 GYJPAUQGBTYKLE-UHFFFAOYSA-N 322.767 3.181 10 10 DGCE COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C/c1ccc(C)cc1 112589 YLNYJHHJZFODLD-MHWRWJLKSA-N 313.397 3.324 10 10 DGCE CCC[C@H](CC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1458046683 XDUOMELVUGAPPH-HNNXBMFYSA-N 304.434 3.170 10 10 DGCE O=C(Nc1ccc(O[C@@H]2CC2(F)F)cc1)c1cc(O)cs1 1453772351 ORJZBLZYHWLGCJ-GFCCVEGCSA-N 311.309 3.492 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)NCC[C@H](O)C(C)C 1293599339 DUOBLGDNKAWXOD-HNNXBMFYSA-N 320.458 3.292 10 10 DGCE CCOc1ccc(N(Cc2cc(OC)no2)CC2CC2)cc1 1460632453 XDSIALINSNYENX-UHFFFAOYSA-N 302.374 3.499 10 10 DGCE COc1cc(F)c(C(=O)NCc2ccccc2O)c(Cl)c1 1465990480 KIBGOTSBPNMHEQ-UHFFFAOYSA-N 309.724 3.123 10 10 DGCE CCN(C(=O)c1cc(O)cs1)[C@@H](COC)Cc1ccccc1 1465687561 VXDNTSJQYQLHIB-CQSZACIVSA-N 319.426 3.174 10 10 DGCE CCN(CC)CCNC(=O)c1ccc(/N=N/N(CC)CC)cc1 225886877 DYRUEFAUBRISJX-FMQUCBEESA-N 319.453 3.099 10 10 DGCE Cc1ccccc1CCN(C)C(=O)/C=C\c1ccc(O)c(O)c1 1556772081 WUJXZGNQYGKWMC-NTMALXAHSA-N 311.381 3.121 10 10 DGCE CC(C)[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)c2ccccc21 1556456398 JAUVLTIQIFFOCY-HNNXBMFYSA-N 311.381 3.427 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)[C@H](C)C(C)(C)C)cc1 1585449039 DLPINVKIPTUMAN-AWEZNQCLSA-N 306.450 3.272 10 10 DGCE C[C@H](NCCC(=O)Nc1ccccc1F)c1ccccc1O 1659815755 SOHYNNHOCPIRRL-LBPRGKRZSA-N 302.349 3.211 10 10 DGCE CC[C@H](C)C(=O)N[C@@H](C)CCNCc1ccc(OC)c(C)c1 1699083136 YZJIYZPWOBLKGI-ZFWWWQNUSA-N 306.450 3.034 10 10 DGCE CC(C)Cn1ccnc1CN[C@@H](C)c1ccc(N(C)C)cc1 164779790 ROYWCDYABVWFTL-HNNXBMFYSA-N 300.450 3.456 10 10 DGCE Cc1cc(NCCc2ccc(N)cc2)ncc1Br 166146640 CTNSGJQKOVYQFR-UHFFFAOYSA-N 306.207 3.389 10 10 DGCE COc1cccc(CNC(=O)C(C)(C)c2cccs2)c1O 155402755 KLPMUISXHHSZAF-UHFFFAOYSA-N 305.399 3.056 10 10 DGCE [N-]=[N+]=NC1CCN(Cc2cnc(Br)s2)CC1 1912206243 FTFUGZKUDSEURV-UHFFFAOYSA-N 302.201 3.180 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCN2CCCC[C@H]2C1 250769898 YTWKTWHUAFJPGA-ZDUSSCGKSA-N 315.244 3.369 10 10 DGCE C[C@H](Nc1c(N)cccc1Br)[C@@H]1C[C@@H]2CCO[C@@H]12 1926224112 RIXBRUGXUBWMBN-RUMNANIHSA-N 311.223 3.257 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H](Nc2ccc(N)cc2)[C@H]2CCC[C@@H]21 1977662075 FMNYXGHYHGBTOO-PMPSAXMXSA-N 317.433 3.469 10 10 DGCE CC(C)[C@@H](O)CN(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 1977928185 CZQZJJLHJVJPKS-INIZCTEOSA-N 322.449 3.164 10 10 DGCE CN[C@H](c1ccc(Cl)s1)[C@H](O)c1ccc(N(C)C)cc1 2147640322 DBGFRMHTSZWVRW-HUUCEWRRSA-N 310.850 3.462 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(CCCCN=[N+]=[N-])C[C@@H]21 1982245223 DAQUTYJYDSHIQE-MELADBBJSA-N 323.441 3.312 10 10 DGCE Cc1cccc(N)c1N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]2C[C@@H]21 1983873454 GPPMOJXLOXZKNP-YUELXQCFSA-N 317.433 3.387 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H](COc2ccc(N)cc2)C2(CC2)C1 1992425933 QZUMCXSAXJDIBD-CYBMUJFWSA-N 318.417 3.295 10 10 DGCE C[C@@H]1C[C@@H](N(C)c2ccc(CO)cc2Br)CS1 2015478196 DHDNIFAUHOKCBJ-MWLCHTKSSA-N 316.264 3.272 10 10 DGCE CC1(C)C[C@@H](CNCc2ccc(Br)cc2O)CO1 2041444473 ZRYFTZLYMGOCTK-JTQLQIEISA-N 314.223 3.059 10 10 DGCE CCNCc1cc(F)c(N(C)C2CCSCC2)c(F)c1 403686028 CAAKVYHRWGBOAP-UHFFFAOYSA-N 300.418 3.406 10 10 DGCE CC(C)(C)[C@@H](CCO)NCc1c(O)cccc1Br 706829870 DCNZCDGVPIEKBQ-CYBMUJFWSA-N 316.239 3.041 10 10 DGCE Nc1ccc(NC(=O)Cc2ccc(Br)cc2F)cc1 692830082 OCFYUOVMTJAPCX-UHFFFAOYSA-N 323.165 3.352 10 10 DGCE CC[C@@H](c1cc(Br)ccc1O)N(C)C1CC(N)C1 385251750 XCONOWYAUHXYCY-XIVSLSHWSA-N 313.239 3.027 10 10 DGCE C[C@@H]1CCN(c2ccc([C@@H](C)O)c(Br)c2)CCO1 720412987 HRKFSGYFPYPCOH-GHMZBOCLSA-N 314.223 3.118 10 10 DGCE Cn1cc(C(=O)Nc2ccc(O)c(O)c2)c(C2CCCCC2)n1 2062330584 HLDYIWYOBLSDKK-UHFFFAOYSA-N 315.373 3.131 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNc1cccn2cnnc12 2177076589 VQNWJJAWMMVVGV-UHFFFAOYSA-N 309.156 3.354 10 10 DGCE Cc1cc(O)c([C@H](C)n2cc(Br)c(O)n2)cc1C 2070624874 WDBDDHHWKSGMQY-VIFPVBQESA-N 311.179 3.283 10 10 DGCE CN[C@H](C)c1ccc(N2CC[C@@](F)(COC)C2)c(Cl)c1 2179802025 CKGYHWJVGZJQER-ABAIWWIYSA-N 300.805 3.185 10 10 DGCE C[C@@H](c1ccc(Cl)cc1O)N1CCOC[C@H]1C(F)(F)F 2203341248 QSPPXZSANYGBCI-UFBFGSQYSA-N 309.715 3.370 10 10 DGCE COCCN([C@@H](C)COC)[C@@H](C)c1ccc(Cl)cc1O 2203340344 YRWBCDYAEYXVHL-RYUDHWBXSA-N 301.814 3.090 10 10 DGCE Nc1ccc(CCC(=O)O[C@H]2CCN(Cc3ccccc3)C2)cc1 2250359224 BYWRMCJHRSXGKB-IBGZPJMESA-N 324.424 3.019 10 10 DGCE CC[C@H](Nc1c(N)cccc1Br)[C@@H](C)CN(C)C 2260295748 ZPCQQWFLBXMEHL-GWCFXTLKSA-N 314.271 3.420 10 10 DGCE OCc1ccc(N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@H]3C2)c(Br)c1 2264953891 KVMHHCCNWSHTPL-LVEBTZEWSA-N 322.246 3.424 10 10 DGCE C[C@H]1C[C@H](CC(=O)O)CN1Cc1cc(Cl)cc(Cl)c1O 2285691891 ZXBABQGSBJESHD-DTWKUNHWSA-N 318.200 3.384 10 10 DGCE CCOc1cc(O)ccc1NS(=O)(=O)C=Cc1ccccc1 2311549639 DNNMUARUTNNDET-UHFFFAOYSA-N 319.382 3.204 10 10 DGCE Oc1cc(Br)ccc1CN[C@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21 2309569095 QHHGYQIBANYJQZ-KVRLPLMBSA-N 308.219 3.289 10 10 DGCE COCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S 6581439 PELVLFZPIBMWOX-DHZHZOJOSA-N 313.831 3.188 10 10 DGCE CN(C)c1ccc(CNC(=O)c2cccc3ccncc23)cc1F 1351738596 PJQYTYGGYNLORW-UHFFFAOYSA-N 323.371 3.370 10 10 DGCE CCc1nc2n(n1)CCC[C@H]2N[C@H](C)c1cc(C)ccc1O 185682448 KOHVBNFGTMFSKR-TZMCWYRMSA-N 300.406 3.040 10 10 DGCE CN(C)c1ccc(CNC(C)(C)CNC(=O)OC(C)(C)C)cc1 221049787 WEWCCMQNPNALJJ-UHFFFAOYSA-N 321.465 3.146 10 10 DGCE CC(C)(C)CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 193776218 WVOIGTCCIHAJEY-OAHLLOKOSA-N 320.433 3.129 10 10 DGCE CCN(CC)c1ccc(CN(C)[C@@H]2CCN(C)[C@H](C)C2)cc1 93644963 HMGFFUAQGIHZGW-VQIMIIECSA-N 303.494 3.447 10 10 DGCE Cc1cc(C(=O)Nc2cccc(N3CCOCC3)c2)ccc1F 96733725 FRRJXKULGXZQPD-UHFFFAOYSA-N 314.360 3.223 10 10 DGCE Oc1cc2c(cc1CN[C@H](c1ccccn1)C1CCC1)OCO2 527771490 JJTCFONAIAJKIX-SFHVURJKSA-N 312.369 3.147 10 10 DGCE COc1cc(O)c(CN2CC[C@H](CC(F)(F)F)C2)cc1OC 277390396 BXGUTKZCSRWXSE-SNVBAGLBSA-N 319.323 3.184 10 10 DGCE C[C@H](NC(=O)c1cnc(Cl)c(F)c1)c1ccc(N(C)C)cc1 803218318 UPQRRBTWDBUQMX-JTQLQIEISA-N 321.783 3.431 10 10 DGCE C[C@@](O)(CNCc1cc(Cl)c(F)cc1O)c1ccsc1 293591028 KKYPYGRQDWFISM-CQSZACIVSA-N 315.797 3.244 10 10 DGCE Cc1cc(Cl)cc([C@H](C)N[C@@H]2CNCCC2(F)F)c1O 817981880 WNAWLRVPZWIJMZ-JOYOIKCWSA-N 304.768 3.002 10 10 DGCE CCN(C)c1ccc([C@@H](C)NCCc2cccnc2OC)cc1 810260401 KIMQKWKBPITXHL-OAHLLOKOSA-N 313.445 3.440 10 10 DGCE COCCOCCOc1ccc(N2CCCCC2)c(Cl)c1 817381660 IQJRFYQYMYDKBE-UHFFFAOYSA-N 313.825 3.372 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CC[C@@H]2OCC[C@H]2C1 724814988 XVJXSKKRGZQDSS-ZANVPECISA-N 302.201 3.310 10 10 DGCE CC(C)C[C@@H](N)c1cc(Br)cc([N+](=O)[O-])c1O 575281460 FUTIPOYSQHUGOW-SECBINFHSA-N 303.156 3.109 10 10 DGCE CN(C)c1ccc(/C=C\CNCCN(C)C2CCCC2)cc1 835039174 XEHASPXXXQMQAA-SREVYHEPSA-N 301.478 3.230 10 10 DGCE CN(C/C=C/c1ccc(N(C)C)cc1)CCc1nccs1 835028158 JJXVXFFQSXHXSE-SNAWJCMRSA-N 301.459 3.397 10 10 DGCE O=C(NCc1cccc(-c2ccccn2)c1)c1cc(O)cs1 749290921 FYIOCCLIBQKRFY-UHFFFAOYSA-N 310.378 3.446 10 10 DGCE CN(C)c1ccc(CN[C@@H]2CCN(c3ccc(F)cc3)C2)cc1 840976814 GKDSMMKZHVIADG-QGZVFWFLSA-N 313.420 3.260 10 10 DGCE COc1cc(C)cc(CN2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1O 840113626 FRTHIOFOSXFAQI-BBWFWOEESA-N 319.445 3.225 10 10 DGCE Cc1ccccc1CO[C@@H](C)C(=O)NCc1c(O)cccc1F 928708180 AUZCAQXCQOJOSL-ZDUSSCGKSA-N 317.360 3.061 10 10 DGCE CN(C)c1cc(F)c(CN[C@@H](C2CC2)[C@@H]2CCCOC2)cc1F 922896820 PJAKIIGJTPBXGE-ACJLOTCBSA-N 324.415 3.326 10 10 DGCE COc1ccc(N(C)Cc2nc(C(C)C)ns2)cc1OC 929346578 BKNKDKOFGZYAAO-UHFFFAOYSA-N 307.419 3.315 10 10 DGCE CN(C)c1cc(F)c(CN[C@@H]2C[C@H](O)c3ccccc32)cc1F 858190004 XWWXVPBSJRNJDQ-AEFFLSMTSA-N 318.367 3.299 10 10 DGCE O=C(N[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21)c1cc(O)cs1 862530758 SJAGVMVKZUSPOL-KWCYVHTRSA-N 305.786 3.175 10 10 DGCE FC(F)COc1ccccc1NCc1nccn1CC(F)F 871829647 RMJZGOZGKQUUJJ-UHFFFAOYSA-N 317.286 3.404 10 10 DGCE O=C(c1ccccc1OCC1CC1)N1Cc2cccc(O)c2C1 871200332 APQJNJJJHIWYKP-UHFFFAOYSA-N 309.365 3.337 10 10 DGCE Cc1[nH]nc(C(C)C)c1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 775405636 SVTVAJJADWHDFC-GFCCVEGCSA-N 314.433 3.399 10 10 DGCE Cc1cc(C)cc(-n2ncc(CN(C)Cc3ccccc3O)n2)c1 781436398 IVSOVZLFXJJMBB-UHFFFAOYSA-N 322.412 3.222 10 10 DGCE CC1(C)CC[C@@H](C(=O)NCc2ccc(N3CCCCC3)cc2)O1 784936497 GCVZAWWGWHIAJR-KRWDZBQOSA-N 316.445 3.251 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2C[C@H](C)O[C@H](C)[C@H]2C)c1O 782630225 ZAKQSBGVDKLPPN-HOSYDEDBSA-N 311.809 3.246 10 10 DGCE O=C(N[C@@H]1C[C@H]1C1CCC1)c1cc2cc(O)c(O)cc2s1 898009274 LEPCUSRSGLGWSW-WDEREUQCSA-N 303.383 3.231 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)CCCOCc2ccccc2)C1 1958669535 SWEPCOHMTJAZQO-OAHLLOKOSA-N 302.378 3.285 10 10 DGCE C[C@H]1CN(Cc2ccccc2)C[C@H]1NCc1cccc(F)c1O 389837855 LINHCLJMTLPWJB-KBXCAEBGSA-N 314.404 3.141 10 10 DGCE C[C@@H]1c2sccc2CCN1C(=O)/C=C\c1ccc(O)c(O)c1 1176441453 QPDPKJUNBRHBJY-USEMIUTHSA-N 315.394 3.318 10 10 DGCE CN(C)c1cc(NC(=O)c2c(F)ccc(O)c2O)ccc1Cl 1184349233 ZVTPBVMHBSKYRZ-UHFFFAOYSA-N 324.739 3.209 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)NCC1=CCOCC1 1261266568 LRUXKUVOEFRAIO-UHFFFAOYSA-N 316.426 3.232 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)NCC2=CCOCC2)cc1 1347870973 NHCWAVHLYRQSTH-UHFFFAOYSA-N 310.397 3.171 10 10 DGCE Cn1cnc(/C=C/C(=O)N2CC(C)(C)c3c(Cl)cccc32)c1 1361013714 SVFTZSABLPKLEZ-BQYQJAHWSA-N 315.804 3.411 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cc(F)c[nH]1 1539467481 CIBJKCQHMVLLIA-UHFFFAOYSA-N 301.365 3.026 10 10 DGCE CC(C)N[C@]1(CO)C[C@H](C)C[C@H](Sc2nccs2)C1 2118785968 LDFFYQKPTFBNND-MBNYWOFBSA-N 300.493 3.153 10 10 DGCE Cc1cc(CC(=O)NOCC2CCC2)c(C)n1-c1ccccc1 1629832637 HWBIGZYVOHKZGZ-UHFFFAOYSA-N 312.413 3.485 10 10 DGCE C[C@@H](NC(=O)Cc1cc(-c2ccccc2)on1)c1ccccc1O 1632246991 PZTFTSRBPWLSJP-CYBMUJFWSA-N 322.364 3.467 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])c1 1641733313 QQIPYFIHPCDYFL-UHFFFAOYSA-N 320.732 3.192 10 10 DGCE COc1ccc(N(C)CCN(C)C[C@@H]2CCC(C)(C)CO2)cc1 1646717685 CVWCVDWXDOQZQT-SFHVURJKSA-N 320.477 3.268 10 10 DGCE CCNCc1ccc(N2CCO[C@@H](C)C2)cc1C(F)(F)F 167340620 GKIXBRUVDYZGIF-NSHDSACASA-N 302.340 3.040 10 10 DGCE CN(Cc1ccc(Br)cc1N)Cc1ccccc1O 1140224834 FEPGVYCODHFKCC-UHFFFAOYSA-N 321.218 3.369 10 10 DGCE CCOC(=O)[C@H](NCCCN=[N+]=[N-])c1ccc(Cl)s1 1912181369 NIIIMLOHBWNENB-SNVBAGLBSA-N 302.787 3.296 10 10 DGCE Cc1ccnc(C(=O)N2CCC[C@H](N=[N+]=[N-])C2)c1Br 1912207088 JHEWOHYCBGCSTE-VIFPVBQESA-N 324.182 3.067 10 10 DGCE CO[C@@H]1CCN([C@H](C)c2cc(Br)ccc2O)[C@@H]1C 1914346529 SSWANUWWOVJEMU-GPCCPHFNSA-N 314.223 3.325 10 10 DGCE CCNCc1ccc(N(Cc2ccccc2)C[C@H](C)O)c(F)c1 1914629703 JSQHDLKEJBSTTI-HNNXBMFYSA-N 316.420 3.323 10 10 DGCE CC[C@@]1(F)CCN(c2ccc(CN)c(Br)c2F)C1 1925576601 UEZMMXNEJAAJAA-CYBMUJFWSA-N 319.193 3.375 10 10 DGCE Cc1cccc(O)c1CN[C@@H]1CCN(Cc2ccccc2)[C@@H]1C 1976876603 ZIASGATXYSMALK-VQIMIIECSA-N 310.441 3.453 10 10 DGCE CNCc1cc(F)c(N2CC(OCc3ccccc3)C2)c(F)c1 1977126815 TUEGQIFERXQKND-UHFFFAOYSA-N 318.367 3.090 10 10 DGCE Cc1cccc(N)c1N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@@H]12 1983873453 GPPMOJXLOXZKNP-NWANDNLSSA-N 317.433 3.387 10 10 DGCE C[C@@H](CCO)N(Cc1ccccc1)c1ccc2c(c1)CC[C@@H]2N 1986610563 SMVACBMBLQMRJC-YWZLYKJASA-N 310.441 3.410 10 10 DGCE CCNCc1ccc(N2CCC[C@H](F)C2)c(Br)c1 701896228 KKCSUMZBUFICAS-LBPRGKRZSA-N 315.230 3.497 10 10 DGCE C[C@@H]1OCCN([C@@H](C)c2cc(Br)ccc2O)[C@H]1C 380589584 NVYUTNZFTAUYKT-DCAQKATOSA-N 314.223 3.325 10 10 DGCE CN1CC[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3O)C[C@@H]2C1 383345528 XZZBFSGBNQBPOD-PWSUYJOCSA-N 315.244 3.083 10 10 DGCE Cc1cc(C(=O)OC(C)(C)C)n(Cc2c(C)cccc2O)n1 2070002267 IJCNJKBWALHVDO-UHFFFAOYSA-N 302.374 3.209 10 10 DGCE CC(C)NCc1ccc(N2CCOC[C@H]2CF)c(Cl)c1 2182599244 MOBSAVFWYIVYDA-CYBMUJFWSA-N 300.805 3.013 10 10 DGCE CC(C)NC1(CO)CCC(CSc2nccs2)CC1 2111496030 HILZFAJWRNXHPO-UHFFFAOYSA-N 300.493 3.155 10 10 DGCE CSc1ncc(CNc2ccc(C(N)=S)cc2C)s1 2269240418 FPSJGCQYUOSYKB-UHFFFAOYSA-N 309.485 3.420 10 10 DGCE C[C@@H](c1ccccc1O)N(C)c1c(Br)cnn1C 2219672191 UKTQNEKQLYAUHR-VIFPVBQESA-N 310.195 3.086 10 10 DGCE Cc1cc(O)cc(C)c1NS(=O)(=O)[C@@H]1CCCC[C@H]1F 2239721059 BKSWDQXJUCIONW-CHWSQXEVSA-N 301.383 3.031 10 10 DGCE CN(CCN=[N+]=[N-])C(=O)c1cc(F)c(Br)cc1F 2255886037 AQPQFSXDGISJJP-UHFFFAOYSA-N 319.109 3.110 10 10 DGCE CN[C@H](C)c1ccc(N2CC(c3nncs3)C2)cc1Cl 2285449173 OZNMHZKVCULOQN-SECBINFHSA-N 308.838 3.076 10 10 DGCE CCN(C(=O)c1cc(Br)co1)c1ccc(N)cc1 2258120172 ZAGUVDPURCOEIL-UHFFFAOYSA-N 309.163 3.291 10 10 DGCE Cc1ccc(C2=NC(=O)C(=Cc3ccc(O)cc3O)S2)cc1 2297592672 INYSEOCTYRTOIX-UHFFFAOYSA-N 311.362 3.467 10 10 DGCE O=C(C=Cc1cnc2sccn12)N1CCCc2ccccc21 2329349099 OFNYDLWSSYVGAH-UHFFFAOYSA-N 309.394 3.388 10 10 DGCE O=C(O)Cc1ccc(N=NN2CCN(c3ccccc3)CC2)cc1 2330154885 IXCSJDSWSOMNGI-UHFFFAOYSA-N 324.384 3.135 10 10 DGCE Cc1ccc(CN2C[C@H](C)OC[C@@H]2C)c(O)c1Br 2327579473 ZVWQOWSUPQAUHP-QWRGUYRKSA-N 314.223 3.072 10 10 DGCE Cc1ccccc1CSCC(=O)N(C)c1ccc(N)cc1 50225988 LYMSSDFARAWYPB-UHFFFAOYSA-N 300.427 3.473 10 10 DGCE CCN[C@@H](C)c1ccc(N2CCN(C3CC3)CC2)c(Cl)c1 61696938 IGSKHOSHPJTCRX-ZDUSSCGKSA-N 307.869 3.295 10 10 DGCE Cc1c([C@H](N)CO)cc(Cl)c(N2CCCCC2)c1Cl 72199785 QXDUUVFZTMGWTI-GFCCVEGCSA-N 303.233 3.284 10 10 DGCE CC(C)N[C@]1(CO)CCC[C@@H]1CCSc1nccs1 93623211 SUAPVQAWJQBORB-OCCSQVGLSA-N 300.493 3.155 10 10 DGCE CC1=NN(c2ccc(F)cc2)C(=O)/C1=C/NNc1ccccc1C 100149344 KWHIPSBMNKGGTM-LFIBNONCSA-N 324.359 3.357 10 10 DGCE COc1ccc(N2N=C(C)/C(=C(/C)Nc3ccccn3)C2=O)cc1 103516306 HYPNIMDYWMOGHY-SFQUDFHCSA-N 322.368 3.199 10 10 DGCE COc1ccc(Cl)cc1N(C)C(=O)/C=C/c1cnn(C)c1C 121436307 SNZOBKKUYNOHHW-VMPITWQZSA-N 319.792 3.067 10 10 DGCE COc1cc(N(C)Cc2ccccc2F)cc(OC)c1OC 125755874 GBOZNOYAEDUXFJ-UHFFFAOYSA-N 305.349 3.488 10 10 DGCE CN[C@@H](C)c1ccc(N(C)CC(F)F)c(Br)c1 136851862 XFSBQMUMRNHNAU-QMMMGPOBSA-N 307.182 3.431 10 10 DGCE CC(C)c1n[nH]c(C(=O)Nc2ccc(N)cc2)c1Br 160409135 ZYWWOESQFYSZSW-UHFFFAOYSA-N 323.194 3.130 10 10 DGCE CC(C)(C)c1cnc(Sc2nn3c(=O)ccnc3s2)s1 163323556 ADYADGXUECDYIV-UHFFFAOYSA-N 324.456 3.056 10 10 DGCE O=C(O)[C@@H](Nc1ccccc1Br)c1ccccc1O 166122427 LBZVXLYXCPYTNO-ZDUSSCGKSA-N 322.158 3.393 10 10 DGCE COC(=O)[C@H]1CCN(Cc2c(O)ccc3ccccc23)C[C@@H]1C 188116631 MVHPVBZIHINJFB-ZFWWWQNUSA-N 313.397 3.176 10 10 DGCE CCOc1ccc(C(=O)Nc2ccc(N)cc2)c2cccnc12 212608082 AETMDWFFKQFDIW-UHFFFAOYSA-N 307.353 3.468 10 10 DGCE COc1cc(N)c(N2CCc3sccc3[C@H]2C)cc1OC 213754245 URVVECJGRULHNR-SNVBAGLBSA-N 304.415 3.471 10 10 DGCE CC[C@H](CNC(=O)OC(C)(C)C)N[C@@H](C)c1ccc(O)cc1O 227725526 YZPDYYKLXGNMAF-NWDGAFQWSA-N 324.421 3.052 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](NCc2cc(F)ccc2O)C1 382507370 YWENSEZJJYQSIZ-ZIAGYGMSSA-N 324.396 3.067 10 10 DGCE Cc1cc(N2CCN(Cc3ccccc3)C[C@@H]2C)ccc1CN 382658436 DBRIDSNNUBYFOJ-KRWDZBQOSA-N 309.457 3.164 10 10 DGCE COc1ccc(CN[C@H](C)COCc2ccccc2)c(O)c1 390557337 IVVITHPAOXJZAE-CQSZACIVSA-N 301.386 3.096 10 10 DGCE CN(Cc1cncs1)c1ccc(CN)cc1Br 400083480 XEKKEHRERNUADA-UHFFFAOYSA-N 312.236 3.001 10 10 DGCE CCNCc1ccc(N2CCO[C@@H](CCF)C2)cc1Cl 700590324 HRYZXFMUCXMVFG-AWEZNQCLSA-N 300.805 3.014 10 10 DGCE CN(CCc1ccc(N)cc1)Cc1cncc(Br)c1 703046844 MLWXUFQGJOYAGL-UHFFFAOYSA-N 320.234 3.101 10 10 DGCE CC[C@@H]1C[C@H]1CNCc1cc(Br)cc(F)c1O 715714042 UTWAJKBHPBDRDO-BDAKNGLRSA-N 302.187 3.430 10 10 DGCE COC(C)(C)[C@H](C)NCc1cc(Br)ccc1O 720197482 VJCCCYFOXPNYIF-VIFPVBQESA-N 302.212 3.058 10 10 DGCE Oc1c(Cl)cccc1CNC[C@@H]1CC[C@H](C(F)(F)F)O1 722402956 BEDZYTSKWWQFQT-GXSJLCMTSA-N 309.715 3.245 10 10 DGCE CC(C)OC(=O)N1CCC(N[C@@H](C)c2ccc(F)cc2O)CC1 756705197 DOVAXORVFOHANB-LBPRGKRZSA-N 324.396 3.191 10 10 DGCE Oc1ccc(-c2noc(-c3ccc(-n4cccc4)c(F)c3)n2)cn1 771187593 UKNOSCHJBLRLIM-UHFFFAOYSA-N 322.299 3.434 10 10 DGCE C=C/C(C)=C\CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 788655293 QGJQLDCKCXZYDL-MJSCBBHESA-N 315.413 3.422 10 10 DGCE CC(C)Oc1ccc(NCc2c(O)ccc(Cl)c2F)nn1 811839792 QMQVLEBOSWGQLU-UHFFFAOYSA-N 311.744 3.374 10 10 DGCE O=[N+]([O-])c1cc(CN[C@H]2CC23CC3)ccc1N1CCCCC1 818229050 KDGBPIDNMQFOLU-INIZCTEOSA-N 301.390 3.227 10 10 DGCE COCC(C)(C)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C 825641588 VMMGOUATWWFFRB-UHFFFAOYSA-N 314.429 3.178 10 10 DGCE COc1cc(Cl)cc(CN[C@@H]2C[C@@H](O)c3ccccc32)c1O 827179388 WLPYBWTVORZCEQ-HUUCEWRRSA-N 319.788 3.322 10 10 DGCE CCOc1cccc(CNCc2ccc([C@H](C)N)cc2)c1O 841030565 XXQQGLXEYLVMSO-ZDUSSCGKSA-N 300.402 3.100 10 10 DGCE CC(C)(C)OC(=O)[C@@H]1CC[C@H](NCc2ccc3c(c2)CCO3)C1 842784031 LZKUWOWREZERNB-CVEARBPZSA-N 317.429 3.222 10 10 DGCE Oc1cc2c(cc1CN1CCC[C@H]1CC1CCCC1)[C@H](O)CO2 848505344 IWISAMYOHHWDMJ-MAUKXSAKSA-N 317.429 3.363 10 10 DGCE CC(=O)NCc1ccc(CN[C@H](C)c2ccc(C)cc2O)cc1 850484611 MMZGXMDPWAENPY-CQSZACIVSA-N 312.413 3.188 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)NC(C)(C1CC1)C1CC1 853748435 FTCTVTBUHYYVAH-UHFFFAOYSA-N 315.461 3.439 10 10 DGCE Cc1cc(Cl)cc(CN2CCC(CCC(=O)O)CC2)c1O 854241210 IFJZLAPGLITXHE-UHFFFAOYSA-N 311.809 3.431 10 10 DGCE CCN(CC)c1ccc(CN[C@H]2CCN(C)C(C)(C)C2)cc1 858100267 ASVBPFQGIUDRQR-KRWDZBQOSA-N 303.494 3.495 10 10 DGCE CCOC(=O)C1=CC[C@H](N[C@@H](CC)c2ccc(C)cc2O)C1 858508729 OPDLDEJURATYJE-HOCLYGCPSA-N 303.402 3.393 10 10 DGCE COc1ccc2c(c1)CC[C@H]2C(=O)N(C)Cc1ccccc1O 860048381 UJIQVOGZHPDUNK-QGZVFWFLSA-N 311.381 3.089 10 10 DGCE CCN(CC)c1ccc(CN[C@@](C)(CC(=O)O)C2CC2)cc1F 901946439 VBEGHKSGEWKYFN-SFHVURJKSA-N 322.424 3.405 10 10 DGCE CC[C@@H](NCCc1cc(C)n(C)n1)c1ccc(N(C)C)cc1 926913598 CKKWOQHVWXPJRU-GOSISDBHSA-N 300.450 3.078 10 10 DGCE CCC[C@H](C(=O)NCc1c(O)cccc1F)c1ccccn1 928709228 ZGRKDFUQEKUCKU-LBPRGKRZSA-N 302.349 3.126 10 10 DGCE O=C(NCCc1cccc2[nH]ccc12)N1Cc2cccc(O)c2C1 1235728665 UFZTZOSMZFJSEQ-UHFFFAOYSA-N 321.380 3.141 10 10 DGCE CC1CCN(c2ccc(CN[C@@H]3C[C@H]4CC[C@H]3O4)cc2)CC1 1262198168 HFJVLKCVUQQPBB-GUDVDZBRSA-N 300.446 3.332 10 10 DGCE CCN(C)c1ccc([C@@H](C)NCCc2ccc(OC)nc2)cc1 1334937490 SFGBMRCIPBVFEL-OAHLLOKOSA-N 313.445 3.440 10 10 DGCE O=C(NC[C@H]1C[C@H]1Cc1ccccc1)N1Cc2cccc(O)c2C1 1521519170 PGJBZVXPJIYMGM-IAGOWNOFSA-N 322.408 3.296 10 10 DGCE Cc1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c(N)cc1F 1539188022 HEAUBCKXEVLTBW-UHFFFAOYSA-N 315.392 3.055 10 10 DGCE CCn1cccc1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1539474745 PTEALAAUKNUEAF-UHFFFAOYSA-N 311.429 3.380 10 10 DGCE CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)Cc1ccc(O)c(O)c1 1595332133 AKJXNWFPOYOGMX-UONOGXRCSA-N 305.418 3.361 10 10 DGCE O=C(Nc1ccc(O)cc1)c1cc2cc(O)c(O)cc2s1 1622438444 UEKLGMXBRWKPPP-UHFFFAOYSA-N 301.323 3.270 10 10 DGCE CC1(C)CO[C@@H](CC(=O)NCc2c(O)ccc3c2CCCC3)C1 1622664064 FIUDUKVQOTVTCD-AWEZNQCLSA-N 317.429 3.092 10 10 DGCE O=C(NCc1ccc(O)cc1O)c1cc2cc(F)ccc2s1 1630301927 NSBDXXJSVHHZIZ-UHFFFAOYSA-N 317.341 3.382 10 10 DGCE O=C(NC[C@@H]1CC[C@@H]2C[C@H]2C1)c1cc2cc(O)c(O)cc2s1 1646376764 BONFSYSGNFSCND-GMTAPVOTSA-N 317.410 3.479 10 10 DGCE C[C@H](N[C@H](C)C(=O)Nc1cc(F)ccc1F)c1ccccc1O 1659815503 LCMVRVLTQCLJGL-WDEREUQCSA-N 320.339 3.348 10 10 DGCE Cc1cc(CCNC(=O)N[C@@H]2CC23CC3)c(C)n1-c1ccccc1 1684322113 ILRDOZVQGAFURZ-GOSISDBHSA-N 323.440 3.488 10 10 DGCE COCCN=NNc1ccc(I)cc1C 1860495636 KDGOTXUWNGSZOG-UHFFFAOYSA-N 319.146 3.025 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]([C@H](N)c2ccccc2O)C12CCC2 1901211814 DSWHWYUTCRPNSM-UKRRQHHQSA-N 318.417 3.182 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN(Cc2cnc(Br)s2)C1 1912167497 LLGSQYXWDLZUFQ-MRVPVSSYSA-N 316.228 3.428 10 10 DGCE CNCc1ccc(N(Cc2ccccc2)[C@@H](C)CCO)c(F)c1 1915418043 IJPIXMPISRTQGU-HNNXBMFYSA-N 316.420 3.323 10 10 DGCE Oc1cc(Cl)ccc1CN[C@@H]1CCOC[C@@H]1C(F)(F)F 1916554721 RHEQCLHNDQZVJB-WDEREUQCSA-N 309.715 3.103 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@]1(C)[C@H](N)c1ccccc1O 1928471397 UWYLSKIXMBGZSB-PBHICJAKSA-N 306.406 3.182 10 10 DGCE CC(C)[C@H](CNC(=O)OC(C)(C)C)[C@H](N)c1ccccc1O 1928472845 UZKXQEJANRLPNS-DZGCQCFKSA-N 308.422 3.189 10 10 DGCE CC(C)(C)OC(=O)N1CCCCCC[C@H]1[C@@H]1CCC(=O)C1=O 1932573413 JOTBQPIZQADJKX-STQMWFEESA-N 309.406 3.104 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CC[C@H](N)c2ccccc2O)C1 1938893128 LMSKTSMOJCAKDI-GUTXKFCHSA-N 320.433 3.476 10 10 DGCE C[C@@H](NCc1c(O)cccc1Br)[C@@H]1CC1(F)F 1942438624 HISOGCNPWJUTOF-APPZFPTMSA-N 306.150 3.288 10 10 DGCE CC(C)(C)OC(=O)N[C@H](CCCC(=O)O)c1ccccc1O 1951652095 TUJKGSBDXUYWIO-GFCCVEGCSA-N 309.362 3.213 10 10 DGCE COc1ccc(Br)c(CN[C@@H]2CC[C@@H]3C[C@H]32)c1O 1964075773 COBPCAINTYEIBA-KBVBSXBZSA-N 312.207 3.051 10 10 DGCE Nc1ccc(CN2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1 1999620070 UYRDNOTVBIDDIT-OAQYLSRUSA-N 321.468 3.367 10 10 DGCE CC[C@H](COC)N(C)Cc1cc(Br)ccc1O 2001430515 VIYARSKIADVSBC-GFCCVEGCSA-N 302.212 3.012 10 10 DGCE CN(C[C@@H]1[C@H]2CC[C@H]21)c1ccc(CN)c(Br)c1F 2041988369 YHYKBBPEBZVQRW-URLYPYJESA-N 313.214 3.139 10 10 DGCE Cc1ccc(Br)c(CN2CCC(N=[N+]=[N-])CC2)n1 2049901355 KCZTVEZDBWYZHY-UHFFFAOYSA-N 310.199 3.427 10 10 DGCE C[C@H](O)c1ccc(N(C)[C@@]2(C)CCOC2)cc1Br 2055448341 LMSRGWAHZKVXSH-HZMBPMFUSA-N 314.223 3.118 10 10 DGCE CC(C)Cc1cc(C(=O)O)n([C@@H](C)c2c(O)cccc2F)n1 2069882418 QBIIRGCXZRMTTA-JTQLQIEISA-N 306.337 3.234 10 10 DGCE Cc1cccc(Cn2nc(C3CCCC3)cc2C(=O)O)c1O 2069926689 JBJOVJVUJQCNSP-UHFFFAOYSA-N 300.358 3.301 10 10 DGCE Cc1ccc(O)c(Cn2nc(C3CC3)c(CN)c2C(F)F)c1 2078995281 USRRWXFXXMLPEP-UHFFFAOYSA-N 307.344 3.219 10 10 DGCE CCCNCc1ccc(N2C[C@@H](F)[C@H](OC)C2)cc1Cl 2146478532 LUXGZXAHPBIKQZ-HUUCEWRRSA-N 300.805 3.013 10 10 DGCE C[C@@H](N)c1ccc(N2CCOC[C@@H]2C(F)(F)F)c(Cl)c1 2150373430 MPNXLVFYJYPKJF-PRHODGIISA-N 308.731 3.127 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@H]1C[C@H]2CC[C@H]1[C@H](O)C2 2204611047 PMHQZFPYFMKBFQ-DQBQHTNRSA-N 316.228 3.338 10 10 DGCE COc1ccc(Br)c(CNC[C@H]2CC2(C)C)c1O 2220462046 GCPXQITZFFHUBG-SECBINFHSA-N 314.223 3.299 10 10 DGCE C[C@H](N)c1ccc(N2CC[C@H]3C[C@]3(F)C2)c(Br)c1 2222709154 SGQKYWZAJFQRAX-CHIMOYNISA-N 313.214 3.407 10 10 DGCE COc1ncc(Br)cc1NCc1ccc(N)cc1 2224003441 JSLPDZYWWCAZPR-UHFFFAOYSA-N 308.179 3.047 10 10 DGCE CNCc1ccc(N2CC[C@@H](OC(F)(F)F)C2)c(Cl)c1 2239240005 KJNTZUJARRARDC-SNVBAGLBSA-N 308.731 3.175 10 10 DGCE CCN[C@H](C)c1cnc(Sc2nc3nccnc3s2)s1 2283823266 JZENEDFKYZBFFD-SSDOTTSWSA-N 323.472 3.365 10 10 DGCE CSc1ncc(CN[C@H]2CCCNC23CCCCC3)s1 2284695880 ALQLEFVTTNGJKP-ZDUSSCGKSA-N 311.520 3.410 10 10 DGCE CC(C)c1ccc(C=C2SC(=S)N(CC(=O)O)C2=O)cc1 2293024481 HMBZKKVQUCQJPG-UHFFFAOYSA-N 321.423 3.096 10 10 DGCE COc1ccccc1C=C1SC(N2CCC(C)CC2)=NC1=O 2293724505 RZTGIMMUYNYDOO-UHFFFAOYSA-N 316.426 3.397 10 10 DGCE CCOc1cc(F)ccc1NC(=O)C=Cc1ccc(O)c(O)c1 2307990411 OWJGUHKGGZLARG-UHFFFAOYSA-N 317.316 3.288 10 10 DGCE Nc1cc(Cl)ccc1NC(=O)CCSc1nccs1 40676573 ORSOMHDXLYXCSI-UHFFFAOYSA-N 313.835 3.500 10 10 DGCE CCOCCN(CCOCC)c1ccc([C@@H](C)N)c(Cl)c1 123205705 HFIYPELNCAWPMC-CYBMUJFWSA-N 314.857 3.239 10 10 DGCE CC(C)NCc1ccc(N2C[C@H](C)N(C)[C@H](C)C2)c(Cl)c1 127945871 NGYJTVCRLXVIPO-OKILXGFUSA-N 309.885 3.367 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@H]1CCCCC[C@@H]1O 135657962 KLGKSNQLJOHRLS-STQMWFEESA-N 304.217 3.482 10 10 DGCE CC1(C)CCC(=CC(=O)NCCc2ccc(O)c(O)c2)CC1 157818325 DXEGCJRLWVBWKI-UHFFFAOYSA-N 303.402 3.283 10 10 DGCE Nc1ccc(CCc2nc(-c3ccc(Cl)cn3)no2)cc1 157987808 RZQPGXJCEJXIMV-UHFFFAOYSA-N 300.749 3.152 10 10 DGCE CN(C[C@H]1CCCCO1)c1ccc(CN)cc1C(F)(F)F 163690635 YGCUIGIZMBAALE-GFCCVEGCSA-N 302.340 3.169 10 10 DGCE CNCc1ccc(N2C[C@@H]3CCC[C@H]3C2)cc1Br 234436574 QKPRFRJAVPWHTI-STQMWFEESA-N 309.251 3.405 10 10 DGCE [N-]=[N+]=NCCCN[C@@H](C(=O)O)c1cc(Cl)sc1Cl 312687116 HVTASWLKNHHJSC-SSDOTTSWSA-N 309.178 3.471 10 10 DGCE CN(C)c1ccc(CN2CCC[C@@H](c3ccncn3)C2)cc1F 367474673 MKEKPXXRHSPAAP-OAHLLOKOSA-N 314.408 3.061 10 10 DGCE CCN(C[C@H](C)OC)c1ccc(CNC)cc1Br 382789435 MTEYUOWMEWFCHB-NSHDSACASA-N 315.255 3.030 10 10 DGCE CCN(Cc1ccc(N)cc1)C(=O)[C@H](C)OCc1ccccc1 404420527 IGKPXSZUFMASER-HNNXBMFYSA-N 312.413 3.223 10 10 DGCE CCc1ccc(O)c([C@@](C)(CC(=O)O)NC(=O)OC(C)(C)C)c1 687734966 DGIIFEDANDBBGP-QGZVFWFLSA-N 323.389 3.169 10 10 DGCE CCc1cccc(CN[C@@H](CC)CNC(=O)OC(C)(C)C)c1O 691514575 TWZPDUXAEVRRMB-HNNXBMFYSA-N 322.449 3.348 10 10 DGCE C[C@H](c1cc(Cl)ccc1O)N1CCO[C@@H](C(F)(F)F)C1 698967216 FEXGNBPTSQQGGE-PRHODGIISA-N 309.715 3.370 10 10 DGCE Oc1c(Br)cccc1CNCC[C@@H]1CCSC1 704816332 UXXHDMOZBFVCKD-SNVBAGLBSA-N 316.264 3.388 10 10 DGCE C[C@H](NCc1cc(Br)ccc1O)c1ccns1 715940137 DIOGRMPKQFENPO-QMMMGPOBSA-N 313.220 3.462 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)CC[C@@H]1CCCCN1C 764610132 MUUJNNAHMQMSIR-KRWDZBQOSA-N 318.461 3.395 10 10 DGCE CCOc1ccc(CNc2cccc3c2OCC[C@@H]3O)c(O)c1 766086521 ZGSUEVOODCRBIJ-INIZCTEOSA-N 315.369 3.219 10 10 DGCE COc1ccc(O)c(CN2CC[C@@](F)(c3ccccc3)C2)c1 802656408 KVNPHABMAYUCGG-SFHVURJKSA-N 301.361 3.472 10 10 DGCE COc1cccc(CN2CC[C@](F)(c3ccccc3)C2)c1O 802656921 SCEWVUCFQQIFNH-GOSISDBHSA-N 301.361 3.472 10 10 DGCE O=[N+]([O-])c1cccnc1NCc1cc(Br)ccc1O 804827560 AQELAMUPQUFWLY-UHFFFAOYSA-N 324.134 3.070 10 10 DGCE C[C@@H]1C[C@@H](NCc2ccc(N3CCC(CO)CC3)cc2)[C@@H]1C 813856165 XYCJGIJFIOIYPC-SPYBWZPUSA-N 302.462 3.029 10 10 DGCE COC(=O)CC1(NCc2ccc(N(C)C)cc2C)CCCC1 840940687 BAXVVEGPTQWPDT-UHFFFAOYSA-N 304.434 3.027 10 10 DGCE CC[C@H](N[C@H](C)c1cc(C(=O)OC)ccc1O)[C@H]1CCCCO1 848567575 ITLYIKXNYJBQMD-ISTRZQFTSA-N 321.417 3.177 10 10 DGCE Nc1ccc(CCNC(=O)N(CCC2CC2)CC2CC2)cc1 851664762 KCYYJPDXNXSYQT-UHFFFAOYSA-N 301.434 3.033 10 10 DGCE C[C@@H]1CC[C@@H](NCc2ccc(N(C)C)cc2C(F)(F)F)CN1 863649699 GTTZKTFSJYQHEN-DGCLKSJQSA-N 315.383 3.002 10 10 DGCE CC1CCN(c2ccc(CNCc3ccnc(O)c3)cc2)CC1 921714069 DBRGWMCRFLTUHZ-UHFFFAOYSA-N 311.429 3.313 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@]12CCCC[C@H]1OCC2 929533369 SFKLNWWMXLCEJD-IEBWSBKVSA-N 316.445 3.060 10 10 DGCE C[C@@]1(c2ccccc2)CCCN1C(=O)Cc1ccc(O)c(O)c1 1176046517 OVQQKLDQQDPWFT-IBGZPJMESA-N 311.381 3.178 10 10 DGCE COc1ccc(Br)c(CN2CCC(F)CC2)c1O 1231547898 KUMBILXXZZRFHT-UHFFFAOYSA-N 318.186 3.097 10 10 DGCE CCCCC(=O)N(C)[C@H](C)CNCc1ccc(OC)c(C)c1 1319425136 SJGXJMZTDOYPIJ-OAHLLOKOSA-N 306.450 3.130 10 10 DGCE CCSc1ccccc1CC(=O)NCc1cc(O)ccc1O 1471662004 KIEPASZQENARPM-UHFFFAOYSA-N 317.410 3.069 10 10 DGCE CC(=O)N(C)c1ccc(NCc2c(O)ccc(Cl)c2F)cn1 1474186182 VNHHHQBDVHKXEC-UHFFFAOYSA-N 323.755 3.175 10 10 DGCE Cc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CC=CCC1 1511779142 MJFNSALQJNEUKQ-HNNXBMFYSA-N 312.417 3.285 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)NC[C@H]2C[C@H]2C2CCCC2)cc1 1520906664 TWCZHMAZKOFAJJ-HIFRSBDPSA-N 314.389 3.405 10 10 DGCE CCn1cc(Cl)cc1C(=O)NCc1ccc(N(C)C)cc1 1523212021 LBPPCMFDJUEBFO-UHFFFAOYSA-N 305.809 3.157 10 10 DGCE CC[C@H](C)[C@@H](C)N1CCN(c2ccc(OC)cc2OC)CC1 1560083132 QLLKUKIRFWWIPD-LSDHHAIUSA-N 306.450 3.260 10 10 DGCE C[C@@H](NC(=O)c1ccc2[nH]cc(C=O)c2c1)c1ccccc1O 1642827814 RTRXTHVKHVPKRZ-LLVKDONJSA-N 308.337 3.177 10 10 DGCE COc1ccc(C(=O)NCc2cccc(O)c2O)c2ccccc12 1651172764 FHOXXVQFFAZHDK-UHFFFAOYSA-N 323.348 3.190 10 10 DGCE CCC(CC)C(=O)N[C@@H](C)[C@H](C)NCc1ccc(OC)c(C)c1 1733965591 VZRXMOVREHOUDG-GJZGRUSLSA-N 320.477 3.423 10 10 DGCE Nc1ccc(N(C(=O)COc2ccccc2Cl)C2CC2)cc1 1857926923 JBPVFTLXYNSXRN-UHFFFAOYSA-N 316.788 3.497 10 10 DGCE C[C@H](C(=O)O)N(Cc1ccccc1)Cc1ccc(N(C)C)cc1 1902362581 FMXUUZXOLOKNOE-OAHLLOKOSA-N 312.413 3.228 10 10 DGCE CN[C@@H](c1ccccc1O)[C@@H]1CCCN1C(=O)OC(C)(C)C 1928481505 WYYOLNRUUGEMSV-ZFWWWQNUSA-N 306.406 3.052 10 10 DGCE Cc1ccc(O)c([C@@H]2[C@H](N)CCCN2C(=O)OC(C)(C)C)c1 1952603848 ZYKQXOFZBZOAEW-UKRRQHHQSA-N 306.406 3.100 10 10 DGCE Cc1cccc(N)c1N[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 1959371347 MHHDKBKXJXDFDV-STQMWFEESA-N 305.422 3.435 10 10 DGCE CC(C)(C)OC(=O)NCCC1CCN(CCCN=[N+]=[N-])CC1 1962287616 LACQUUDHXWILML-UHFFFAOYSA-N 311.430 3.314 10 10 DGCE CC[C@](O)(c1ccc(N(C)C)cc1)[C@H](C)NC(=O)OC(C)(C)C 1977957126 CIKUZWNSOGYCOS-SCLBCKFNSA-N 322.449 3.263 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(CCCCN=[N+]=[N-])C2 1982240151 AXERFQWTJHATQN-IHRRRGAJSA-N 323.441 3.455 10 10 DGCE CC[C@@H](NCc1cccc(C)c1O)[C@@H](C)NC(=O)OC(C)(C)C 1994449792 KNLOTEXYUBGBGO-UKRRQHHQSA-N 322.449 3.482 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN(C[C@]2(Br)CC2(F)F)C1 2023773975 IHQVZQUTRJOBHZ-RKDXNWHRSA-N 309.158 3.181 10 10 DGCE C[C@@H]1COCC[C@@H]1N(C)Cc1cccc(Br)c1O 2031920070 OMAAKWWTKZDZEP-MFKMUULPSA-N 314.223 3.012 10 10 DGCE O=C(Nc1ccc(O)c(O)c1)[C@@H]1CCCC[C@@H]1C(F)(F)F 2064721178 AJOFYNJSCZZMQS-ZJUUUORDSA-N 303.280 3.405 10 10 DGCE COC(=O)c1cc(CC(C)C)nn1Cc1ccc(Cl)cc1O 2070016915 NAIVMXNXTSNNCY-UHFFFAOYSA-N 322.792 3.276 10 10 DGCE CCNCc1ccc(N(C)CC2(Br)CC2)c(F)c1 2076249227 ZYZONGNDVLYTIG-UHFFFAOYSA-N 315.230 3.299 10 10 DGCE CCN1CCc2cc([C@H](N)c3cc(Br)co3)ccc21 2112424916 IMZJGDZRMZXPPZ-HNNXBMFYSA-N 321.218 3.473 10 10 DGCE C[C@@H](c1cc(Cl)ccc1O)N1CCOC[C@H]1C(F)(F)F 2150470568 RXQVNNJOWNIQIV-UFBFGSQYSA-N 309.715 3.370 10 10 DGCE CN1CCc2cc([C@H](N)[C@@H](O)c3cc(Cl)cs3)ccc21 2163137014 ZCINPLVMNMCMQU-GJZGRUSLSA-N 308.834 3.127 10 10 DGCE Oc1c(Cl)cccc1CN[C@]1(C(F)(F)F)CCCOC1 2179878468 LOJRTVSOGQAOOZ-GFCCVEGCSA-N 309.715 3.247 10 10 DGCE C[C@H](C1CCOCC1)N(C)c1cc(Cl)c(CN)cc1F 2182625533 QIDCHGPDFZVLAO-SNVBAGLBSA-N 300.805 3.189 10 10 DGCE Oc1cc(Cl)ccc1CNCc1conc1Br 2216775028 GMEMFIHBTRICAE-UHFFFAOYSA-N 317.570 3.086 10 10 DGCE Cc1cc(CNCc2ccc(O)c(O)c2)ccc1Br 2273775069 HJFUSYCCSVLOIL-UHFFFAOYSA-N 322.202 3.459 10 10 DGCE CCNc1ccccc1C(=O)NCc1cnc(SC)s1 2284504635 OAYQSFQEMLFWEG-UHFFFAOYSA-N 307.444 3.227 10 10 DGCE CCc1nsc(CN(C)c2ccc([C@H](C)N)cc2Cl)n1 2288836446 HMCNNRGMMAMIPW-VIFPVBQESA-N 310.854 3.410 10 10 DGCE COc1ccc(C=C2SC(N3CCC(C)CC3)=NC2=O)cc1 2296673050 VZIAMIRDCFXODP-UHFFFAOYSA-N 316.426 3.397 10 10 DGCE CC[C@H]1CN(C(=O)C=Cc2cncc(F)c2)c2ccccc2O1 2297669785 QWWFODWDBYKNKP-HNNXBMFYSA-N 312.344 3.438 10 10 DGCE CN(CC(Cl)=CCl)Cc1ccc(N2CCOCC2)cc1 2300132523 TVGGXYMVLXNAQN-UHFFFAOYSA-N 315.244 3.274 10 10 DGCE C[C@H](O)c1ccc(N(CCF)CCF)cc1Br 2301661421 UZKCLGMHVJYQFP-VIFPVBQESA-N 308.166 3.248 10 10 DGCE O=C(C=Cc1ccc(O)cc1)NCc1ccc(N2CCCC2)cc1 2309016999 OIDGWSNXSAXKEM-UHFFFAOYSA-N 322.408 3.322 10 10 DGCE CN[C@H](c1ccccc1O)c1c(Br)cnn1C(C)C 2342410741 ZPALCCGHOHNJGB-CYBMUJFWSA-N 324.222 3.241 10 10 DGCE Nc1ccc(CS(=O)(=O)Nc2cc(Cl)ccc2F)cc1 35283831 TYRVSTOBWSPQOD-UHFFFAOYSA-N 314.769 3.003 10 10 DGCE O=C(CSc1nccs1)N[C@@H]1CCCc2ccccc21 47240674 NEWHRIACAHEQEG-CYBMUJFWSA-N 304.440 3.429 10 10 DGCE Cc1cccc(CSC[C@H](O)COc2ccc(N)cc2)c1 54965384 LFBWFLCQMPHSTO-MRXNPFEDSA-N 303.427 3.250 10 10 DGCE COc1cccc2c(=O)n(CCCOc3ccc(N)cc3)ccc12 75253845 QDZHXMILEIJIGR-UHFFFAOYSA-N 324.380 3.061 10 10 DGCE COc1ccc(N2CC(C)(C)NC[C@H]2C)cc1Br 88330961 IWZTYPGNRRIRBN-SNVBAGLBSA-N 313.239 3.034 10 10 DGCE COc1ccc(CN2C[C@@H](c3ccccc3)OC[C@@H]2C)c(O)c1 130685465 LHMNLJDFEOMUKD-LIRRHRJNSA-N 313.397 3.363 10 10 DGCE CC(=O)c1cc(F)cc(CN2CCCC[C@H]2c2cn[nH]c2)c1O 175673233 JEHINFUEVZOEOD-INIZCTEOSA-N 317.364 3.184 10 10 DGCE C[C@@H](Nc1ccc2oc(=O)n(C)c2c1)c1ccc(F)c(F)c1O 187897280 XOONVTWRMAMLDI-MRVPVSSYSA-N 320.295 3.288 10 10 DGCE CC[C@@H](NC[C@@H](CC(C)C)N1CCOCC1)c1ccccc1O 192935836 YLPSYYRKTQKPSA-SJLPKXTDSA-N 320.477 3.180 10 10 DGCE c1csc(SCCCN[C@H]2[C@H]3CCO[C@H]3C23CCC3)n1 194047622 XZTJKJQUMSVZNF-FRRDWIJNSA-N 310.488 3.173 10 10 DGCE CCOc1ccccc1NC(=O)N(C(C)=O)c1ccc(N)cc1 243321892 LNTSCBYDPMRQBX-UHFFFAOYSA-N 313.357 3.253 10 10 DGCE CC(=O)N(C(=O)CCCOc1ccccc1)c1ccc(N)cc1 243496079 NSRUVJCBQGFECC-UHFFFAOYSA-N 312.369 3.008 10 10 DGCE Cc1nc(C)c(Br)c(OCc2ccc(N)cc2)n1 322931009 ZIMNSXXTGMHNJQ-UHFFFAOYSA-N 308.179 3.017 10 10 DGCE CN(C)c1ccc(N)c(OCCCOCc2ccccc2)c1 390778423 QFAVSDAMPOKLBV-UHFFFAOYSA-N 300.402 3.321 10 10 DGCE C[C@@H]1CCC[C@@H](C)N1NCc1ccc(Br)cc1O 691478715 XLVYGDCZMKYVBM-GHMZBOCLSA-N 313.239 3.422 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@](C)(NCc2cccc(F)c2O)C1 701874640 CQUUXYSZFUXXEI-QGZVFWFLSA-N 324.396 3.020 10 10 DGCE COCCCN(C)Cc1cc(Cl)cc(Br)c1O 708134726 SYMRZYQMRMFSEM-UHFFFAOYSA-N 322.630 3.276 10 10 DGCE CC[C@H](NCCc1cc[nH]n1)c1cc(Br)ccc1O 714521426 LZJUEJMJZNVSPE-ZDUSSCGKSA-N 324.222 3.161 10 10 DGCE C[C@@H](N[C@H]1CCCC2(C1)OCCO2)c1ccc(N(C)C)cc1 715640438 PTYOJYUFYMAFGZ-ZBFHGGJFSA-N 304.434 3.089 10 10 DGCE C[C@H](NCc1cccc(Br)c1O)c1ccns1 715945925 UURCIDUIAVHNJR-QMMMGPOBSA-N 313.220 3.462 10 10 DGCE COC(=O)/C=C\c1ccc(N2C[C@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 740870855 KKWNRWJYUCETSR-OXTPZFROSA-N 304.346 3.016 10 10 DGCE C[C@H]1C[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 768996932 RVFYVBUIMCTLQI-HUBLWGQQSA-N 324.371 3.029 10 10 DGCE Cc1cc(Br)cc(/C=C2\SC(=S)NC2=O)c1 772175975 IMIKPHQZMBFHQB-UITAMQMPSA-N 314.229 3.246 10 10 DGCE Clc1ccc(C2=CCN(c3ncnc4c3CCC4)CC2)cn1 773254023 HZCWQYGRTDNTBU-UHFFFAOYSA-N 312.804 3.307 10 10 DGCE COC(=O)c1cncnc1/C=C/c1ccc(N2CCCCC2)cc1 790608792 GKMFSGSNIUUEMH-JXMROGBWSA-N 323.396 3.424 10 10 DGCE CN(C)c1ccc(CNC[C@@H]2CCC[C@H]2O)c(C(F)(F)F)c1 793003969 JFYVAQXHUOPZAW-SWLSCSKDSA-N 316.367 3.022 10 10 DGCE COc1cccc(CNC(=O)N[C@@H](C)C2CCC(F)CC2)c1O 823062965 PPPFMGQFADHGSY-DCBWTQNWSA-N 324.396 3.117 10 10 DGCE C[C@H](N[C@H](c1ccccc1F)[C@@H](C)O)c1ccc(F)cc1O 846182958 MLNQALDGMLFLKU-RVPKQNPDSA-N 307.340 3.443 10 10 DGCE COc1ccc(N2CC[C@@H](Nc3cccc(Cl)n3)C2)cc1 853758822 KVRDIFADDCPMKN-GFCCVEGCSA-N 303.793 3.434 10 10 DGCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC(C)(F)C2)c1 861434706 ROSQLVYBVFKEIH-UHFFFAOYSA-N 314.360 3.091 10 10 DGCE CC[C@H](NCCc1cc(C)n(C)n1)c1ccc(N(C)C)cc1 926913599 CKKWOQHVWXPJRU-SFHVURJKSA-N 300.450 3.078 10 10 DGCE Cc1cc(CN2CCc3nc[nH]c3C23CCC3)ccc1N(C)C 931680238 RXZUKIJVOCPDGW-UHFFFAOYSA-N 310.445 3.222 10 10 DGCE CCN(/C=C1/SC(=S)N(c2ccccc2OC)C1=O)CC 1083962560 COXAARWPGQCFAT-JLHYYAGUSA-N 322.455 3.243 10 10 DGCE C[S@@](=O)(=NC(=O)/C=C/c1ccc(O)c(O)c1)C1CCCCC1 1119632013 KLEWCCRWZIDQBB-RCHCNPRSSA-N 323.414 3.068 10 10 DGCE C[C@H]1Cc2ccccc2N1C(=O)c1ccc(N=NC(N)=O)cc1 1135997501 NAYOYTVGNCCZEI-NSHDSACASA-N 308.341 3.440 10 10 DGCE CC(C)(CNC(=O)c1cccc(O)c1O)c1ccc(Cl)cc1 1142009651 RDRJIMMEMARFGO-UHFFFAOYSA-N 319.788 3.459 10 10 DGCE C[C@@H]1CC[C@H](CN)N(Cc2cc(Cl)cc(Cl)c2O)C1 1205804630 NZPLBTOGHMRPNN-BXKDBHETSA-N 303.233 3.258 10 10 DGCE CCOc1ccc(N2CCN(C(=O)/C=C\C(C)(C)C)CC2)cc1 1319397484 PPMNPBSSARRZAR-KHPPLWFESA-N 316.445 3.336 10 10 DGCE CCN1C[C@H](C)N(Cc2cc(Cl)cc(C(C)=O)c2O)C[C@@H]1C 1459872896 IJZZIMXNXGNTCS-RYUDHWBXSA-N 324.852 3.163 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)/C(C)=C/c2cccnc2)c1 1465992803 MUDFQXKTTYHIHS-SRXBQZRASA-N 312.369 3.077 10 10 DGCE Cc1ncccc1CC(=O)NCc1c(O)ccc2ccccc12 1558553936 GUSPFUBQCIANRE-UHFFFAOYSA-N 306.365 3.108 10 10 DGCE COC(=O)[C@@]1(NCc2ccc(N(C)C)cc2)CCCC(C)(C)C1 1560009805 FIFXQTOUYPBUDS-LJQANCHMSA-N 318.461 3.354 10 10 DGCE CC[C@H](C)[C@H](O)CNC(=O)c1ccc(-n2c(C)ccc2C)cc1 1629989654 CLEHKYDGJZENAF-SCLBCKFNSA-N 314.429 3.231 10 10 DGCE C[C@H](CSC(F)(F)F)C(=O)N[C@H](C)c1ccccc1O 1642828073 YMQYZCARUMJFON-RKDXNWHRSA-N 307.337 3.459 10 10 DGCE O=C(NC[C@@H]1CC[C@H]2C[C@H]2C1)c1cc2cc(O)c(O)cc2s1 1646376766 BONFSYSGNFSCND-OUAUKWLOSA-N 317.410 3.479 10 10 DGCE COC(=O)COc1ccc(N(C)C[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1 1658211504 QCOWLRKIACNXSP-KFWWJZLASA-N 303.402 3.111 10 10 DGCE CCCN1N=C(C)/C(=C\c2cccc(OC)c2OCC)C1=O 1865670016 DPZULXACSIUWHE-SDNWHVSQSA-N 302.374 3.105 10 10 DGCE CC(C)[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)[C@@H](N)c1ccccc1O 1897298863 ZFGPZQHFPVBEIK-DHSIGJKJSA-N 320.433 3.331 10 10 DGCE CCN[C@H](c1ccccc1O)[C@@H]1CC[C@@H]1NC(=O)OC(C)(C)C 1898027968 KFIFOAHNLMIUSJ-INWMFGNUSA-N 320.433 3.346 10 10 DGCE Cc1cccc(O)c1CN[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C 1958794776 RZFYFFXQXJHFKS-CHWSQXEVSA-N 308.422 3.092 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](Nc3ccccc3N)[C@H]1C2 1959360111 VYSHGDZLTUVLDU-NILFDRSVSA-N 303.406 3.079 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@]12CCN(CCCCN=[N+]=[N-])C2 1962302613 ATBQRKVAIIBZQT-HNNXBMFYSA-N 309.414 3.162 10 10 DGCE COc1ccc(O)c([C@@H](C)N[C@H]2CCCC3(CC2)OCCO3)c1 1967519526 CMPNUJDKUSYMEO-KGLIPLIRSA-N 321.417 3.127 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(Cc2cnsc2Br)C1 1982798611 BGLPSNXSNURJEZ-MRVPVSSYSA-N 302.201 3.180 10 10 DGCE Cc1ccc(O)c([C@H](C)N[C@@H]2CC[C@@H]2NC(=O)OC(C)(C)C)c1 1986712701 NDXWIUHFQCLZAA-CFVMTHIKSA-N 320.433 3.407 10 10 DGCE CN(CCN=[N+]=[N-])[C@H](CNC(=O)OC(C)(C)C)c1ccccc1 1991835653 IDAWBKPUFKHOCA-CQSZACIVSA-N 319.409 3.495 10 10 DGCE COCCCN(Cc1ccccc1)c1ccc(CN)c(OC)c1 1994422177 LZEUAYCCCBCWJJ-UHFFFAOYSA-N 314.429 3.197 10 10 DGCE CN[C@@H](C)c1ccc(N2CC[C@H]2CF)c(Br)c1 2011855760 VLMQKSMEGFTNJJ-ONGXEEELSA-N 301.203 3.278 10 10 DGCE CCNCc1ccc(N2C[C@H](C)[C@@H](F)C2)c(Br)c1 2035297124 MTANEDLAGZKHAW-GWCFXTLKSA-N 315.230 3.353 10 10 DGCE CN(c1ccc(CN)c(Br)c1F)[C@@H]1CCC[C@H]1F 2055387213 GONSPFICUURHJV-NXEZZACHSA-N 319.193 3.374 10 10 DGCE Cc1nn(C)c(Br)c1CN(C)CCCCN=[N+]=[N-] 2065917883 DOCXACBPBIHFES-UHFFFAOYSA-N 315.219 3.013 10 10 DGCE C[C@H](O)c1ccc(N2CC3(CC=CCO3)C2)c(Br)c1 2094982092 VBBYJWOWBSSXIM-NSHDSACASA-N 324.218 3.038 10 10 DGCE CN1CCc2cc([C@@H](N)c3snc(Cl)c3Cl)ccc21 2110899730 HSYUQAVKMVRYSJ-LLVKDONJSA-N 314.241 3.490 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@]12CO[C@](CF)(C1)C2 2137872316 YWVKRPCHPFDQOM-JOCQHMNTSA-N 306.164 3.060 10 10 DGCE C[C@H](O)c1ccc(N(C)[C@H]2COCCC2(F)F)c(Cl)c1 2168228073 QMLXCUSMXWGEEV-ZANVPECISA-N 305.752 3.254 10 10 DGCE COC1(CNCc2cccc(Br)c2O)CC(C)C1 2261532489 SHBKIEMNRFIBFZ-UHFFFAOYSA-N 314.223 3.059 10 10 DGCE CN[C@@H](c1ccc2c(c1)CCN2C)c1cocc1Br 2270461184 NQBNIVLFBSCGNV-HNNXBMFYSA-N 321.218 3.343 10 10 DGCE Oc1cc(Br)ccc1CN1CC[C@](F)(C(F)F)C1 2315865508 GADNDDIRGJDBNS-GFCCVEGCSA-N 324.140 3.334 10 10 DGCE Cc1ccc(CNC(=O)C2CC(C)C2)c(O)c1Br 2327592306 SEFHUSOXJJVNAC-UHFFFAOYSA-N 312.207 3.125 10 10 DGCE Cc1ccc(CN(C)CCC(C)(C)O)c(O)c1Br 2327793111 SAAAQRYGJBVCAH-UHFFFAOYSA-N 316.239 3.056 10 10 DGCE CCC[C@H](CCO)NCc1ccc(C)c(Br)c1O 2327796841 NPMPDHMPHDDXPX-GFCCVEGCSA-N 316.239 3.104 10 10 DGCE Cc1ccc(N=NN2CCN(C(=O)c3ccco3)CC2)cc1C 2330172819 JICGMJKJBSHCII-UHFFFAOYSA-N 312.373 3.353 10 10 DGCE CCCN[C@](CO)(CSc1nccs1)[C@H]1CC12CCC2 2371098075 YXTWXQQIKAUOOP-SWLSCSKDSA-N 312.504 3.156 10 10 DGCE COc1ccc(N2CC[C@@H](CCNC(=O)OC(C)(C)C)C2)cc1 107937962 NDSOFQXOBHRRHH-CQSZACIVSA-N 320.433 3.436 10 10 DGCE COc1ccc(CNC[C@@H](C)N(C)C(=O)[C@@H](C)C(C)C)cc1C 1271128515 CZFLNOPHRDOPCE-CVEARBPZSA-N 320.477 3.232 10 10 DGCE CC(C)CNCc1ccc(N(CCO)Cc2ccccc2)cc1 302992625 ZBVSTYYLGBWANX-UHFFFAOYSA-N 312.457 3.431 10 10 DGCE COC(C)(C)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 171599362 GZPZJPRMGMUIFV-UHFFFAOYSA-N 318.461 3.497 10 10 DGCE CC[C@@H](N[C@@H](C)Cc1c(C)nn(C)c1C)c1ccccc1O 185213091 NHFCRJVPEQFCPN-YVEFUNNKSA-N 301.434 3.414 10 10 DGCE CCCCNc1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O 138777866 VDIFWXJQMUAUMY-UHFFFAOYSA-N 311.337 3.085 10 10 DGCE Cc1nn(C)c(CN(Cc2ccc(N)cc2)C(C)C)c1Cl 89234560 GJYGQDFAHNGTFS-UHFFFAOYSA-N 306.841 3.375 10 10 DGCE COCCNCc1ccc(N2CCS[C@H](C)[C@@H]2C)c(C)c1 133286922 DMOWFWXSMQROTB-LSDHHAIUSA-N 308.491 3.061 10 10 DGCE CCCN[C@H]1C(=O)Nc2cc(N(C)C3CCC3)c(Cl)cc21 143839016 RPWZVONLOXTZOJ-OAHLLOKOSA-N 307.825 3.322 10 10 DGCE C[C@@H](N[C@@H]1CCOC2(CCSCC2)C1)c1ccccc1O 272887882 RYVPSUZNBQHTEJ-ZIAGYGMSSA-N 307.459 3.488 10 10 DGCE C[C@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)CC(F)F 826530174 CMZVTVJYMHXJCM-RYUDHWBXSA-N 313.392 3.404 10 10 DGCE CC(C)(C)C[C@@H]1C[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 824182503 WERUHSHFKGEPCA-WCQYABFASA-N 302.378 3.404 10 10 DGCE Cc1ccc(O)c(CN(C)Cc2csc(C(C)(C)O)n2)c1 825154039 YGYAPTQLHOCMDD-UHFFFAOYSA-N 306.431 3.017 10 10 DGCE COC(=O)CN(Cc1ccccc1)Cc1cc(Cl)ccc1O 732203034 LXZGTPKALALHTE-UHFFFAOYSA-N 319.788 3.221 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)N1Cc2ccccc2C2(CC2)C1 588513635 KTFXEBDDJMUGSU-VURMDHGXSA-N 321.376 3.185 10 10 DGCE C[C@@H]1CN(C/C=C/c2ccc(N(C)C)cc2)C[C@H](C2CC2)O1 835055028 UZKGNEMOGQIEJA-FKXXJOMMSA-N 300.446 3.265 10 10 DGCE Cc1cc(C(=O)N[C@H](C)C(C)(C)O)c(C)n1-c1ccc(F)cc1 746337217 PIRSZRZRDGJEIF-CYBMUJFWSA-N 318.392 3.122 10 10 DGCE Cc1cc(O)c(CN[C@H]2CCN(c3ccccn3)C2)c(Cl)c1 840905706 BWIMTJCSBRFPEY-ZDUSSCGKSA-N 317.820 3.118 10 10 DGCE CCN1C(=O)/C(=C/c2nccc3ccccc23)SC1=S 740763524 DHZVPXIMSRIUKI-LCYFTJDESA-N 300.408 3.456 10 10 DGCE C1=C[C@@H](CNCc2ccc(N3CCCCC3)cc2)[C@H]2CO[C@@H]1C2 922723164 JGBSUMGBMXUVRE-NSHGMRRFSA-N 312.457 3.358 10 10 DGCE Cc1ccc([C@@H](C)NC[C@@H]2CCC3(CCOCC3)O2)c(O)c1 927015651 RMXOSOZWFBUWDW-CABCVRRESA-N 305.418 3.079 10 10 DGCE CCN(CC)c1ccc(CN[C@H]2C[C@@H](C)n3ncnc32)cc1F 850351654 GLIBISCRTYDPEO-DOMZBBRYSA-N 317.412 3.059 10 10 DGCE C[C@@H]1C[C@H]1COC(=O)c1csc(Cc2ccc(N)cc2)n1 859633301 XNCRRLPULXGBIA-PWSUYJOCSA-N 302.399 3.129 10 10 DGCE Cc1ccc(CC[C@H](C)NC(=O)/C=C/c2ccc(O)c(O)c2)o1 779523448 BZJIUMWYNHOWEP-JXPAYYINSA-N 315.369 3.150 10 10 DGCE C[C@@H](c1ccccc1O)N(C)Cc1nn(C)cc1Br 1877517580 KLMKRPGJSQZUSX-JTQLQIEISA-N 324.222 3.081 10 10 DGCE Cc1cccc2c(C(=O)NCCc3ccc(O)c(O)c3)coc12 1137464949 XLOQWDMMJUUDLK-UHFFFAOYSA-N 311.337 3.125 10 10 DGCE CCOc1ccc(CN2CC[C@@H](c3nccs3)C2)c(O)c1 895582143 FLPWCDBZQIVJAO-CYBMUJFWSA-N 304.415 3.237 10 10 DGCE O=C(c1cc2cc(O)c(O)cc2s1)N1C[C@H]2CC[C@@H](C2)C1 898982832 IZEBQPFEKGURHN-UWVGGRQHSA-N 303.383 3.185 10 10 DGCE Cc1[nH]c2c(C(=O)NCc3c(O)cccc3O)cccc2c1C 1156881063 NSGRGBNDXMQYTC-UHFFFAOYSA-N 310.353 3.126 10 10 DGCE COc1cccc(C(F)(F)C(=O)N[C@H](C)c2ccccc2O)c1 1151892140 KBKDRMFLWGODQQ-LLVKDONJSA-N 321.323 3.370 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2Nc1c(N)cccc1Cl 1959365880 JACJDBYXDRROAC-JIMOISOXSA-N 323.824 3.342 10 10 DGCE CC[C@H](N)CN1CC2(CCCCC2)Nc2cc(OC)ccc21 76931080 MZHSLZYVMZCLJI-AWEZNQCLSA-N 303.450 3.367 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1C[C@]2(CCCCN2CCN=[N+]=[N-])C1 1962288161 SEDCGUCUGNJDRQ-JNSHFYNHSA-N 309.414 3.209 10 10 DGCE C[C@@H]1CN(c2ccc(CN)c(Cl)c2)C[C@](C)(C(F)F)O1 705115898 HHHXTEHAXCLBNH-YMTOWFKASA-N 304.768 3.048 10 10 DGCE COC(=O)[C@@H](CC(C)(C)C)NCc1ccc(N2CCCC2)cc1 1327121405 QCWFKBTYWIGYBI-QGZVFWFLSA-N 318.461 3.354 10 10 DGCE Cc1ccc(O)c(CNCc2cnc(Br)s2)c1 718193130 QITXRTBCDUCCHV-UHFFFAOYSA-N 313.220 3.209 10 10 DGCE CCOC(=O)C1=CC[C@H](N[C@H]2C[C@@H](C)c3c(C)ccc(O)c32)C1 1261790750 UEPALRBXGMRBHA-SNPRPXQTSA-N 315.413 3.490 10 10 DGCE COC[C@H](N[C@H]1C[C@H](C)c2c(C)ccc(O)c21)C1CCOCC1 1346869373 QYXJJYZIGCBSJN-BPUTZDHNSA-N 319.445 3.280 10 10 DGCE Cc1ccc(C(=O)NCc2cc3c(s2)CCCC3)c(O)c1O 1441698395 XIOYOHSVWXNPTO-UHFFFAOYSA-N 317.410 3.277 10 10 DGCE CC(C)CC[C@H]1CCCCN1C(=O)Cc1ccc(O)c(O)c1 1295005024 RMJOESMVWSCSRY-OAHLLOKOSA-N 305.418 3.458 10 10 DGCE CCc1nnc(N(C)Cc2ccccc2O)n1CCC(C)C 1292840272 GTPAKDKUOQNCEM-UHFFFAOYSA-N 302.422 3.229 10 10 DGCE C[C@@H](NC(=O)C1(c2cccnc2)CC1)c1ccc(N(C)C)cc1 1467260424 RRXDOUDCXHBJSF-CQSZACIVSA-N 309.413 3.057 10 10 DGCE C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)NCc1ccc2c(c1)CCCN2C 1626941109 UEAANNZQYSLPPB-BNEJOLLZSA-N 312.457 3.367 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN(C(=O)c2cnccc2Br)C1 2121183400 JDKORDCINCESLE-VIFPVBQESA-N 324.182 3.007 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC1C[C@H]2C[C@@H]2C1 1639496214 RVFMFGOJOPRTOW-HUUCEWRRSA-N 322.408 3.435 10 10 DGCE O=C(CCc1ccc(Cl)c(F)c1)NCc1ccc(O)c(O)c1 1566359500 FLSOSSBAHXJGAL-UHFFFAOYSA-N 323.751 3.139 10 10 DGCE CCCCCCOC(=O)CCNCc1cccc(OCC)c1O 1857869816 VOLMVWOASARMSK-UHFFFAOYSA-N 323.433 3.394 10 10 DGCE CC(C)C[C@@](C)(O)CNCc1cc(Br)ccc1O 232642438 DAQUOGVTOCGKEM-CQSZACIVSA-N 316.239 3.041 10 10 DGCE CC(C)(C)OC(=O)N1CCC(C[C@H](N)c2ccccc2O)CC1 1936979318 BOXVKPXLYVXFEJ-HNNXBMFYSA-N 320.433 3.429 10 10 DGCE Oc1c(Br)cccc1CNC[C@@H]1CC[C@@H](F)C1 1945253482 HIVYCNOIPIQDRR-MWLCHTKSSA-N 302.187 3.383 10 10 DGCE C[C@H](N(C)c1ccc(CO)cc1Br)C(F)(F)F 1946345017 XCQCXHUGMXYFJC-ZETCQYMHSA-N 312.129 3.328 10 10 DGCE COc1ccc([C@@H](C)NCCC=CBr)c(O)c1 2004058001 DPXGGDSXGXUXSZ-SNVBAGLBSA-N 300.196 3.350 10 10 DGCE C[C@@H](CC1CCCCC1)C(=O)NCc1c(O)cc(O)cc1O 2062762205 NWKCLTFPBZFAKO-NSHDSACASA-N 307.390 3.026 10 10 DGCE Oc1ccc(C(F)(F)F)cc1Cn1ncc(O)c1C(F)F 2079024884 INCGVEQFDXMCOG-UHFFFAOYSA-N 308.206 3.299 10 10 DGCE Cc1ccc(O)c(Cn2[nH]c(=N)c(Cl)c2C(F)(F)F)c1 2079175773 UFFCDILQRZEOBF-UHFFFAOYSA-N 305.687 3.030 10 10 DGCE Oc1cccc2c1[C@H](N[C@@H]1CS[C@@H](C(F)(F)F)C1)CC2 2189224802 VCKXLEKFDHVDTQ-HOSYDEDBSA-N 303.349 3.406 10 10 DGCE CC[C@@H](COC)N(C)c1ccc([C@H](C)O)cc1Br 2047302484 SZSORXNATRJEIN-JQWIXIFHSA-N 316.239 3.364 10 10 DGCE Cc1ccc(Br)c(CNCc2ccccc2O)n1 2049925952 BONCTAGMFXRQOO-UHFFFAOYSA-N 307.191 3.148 10 10 DGCE C[C@@H]1CC[C@@H](CNCc2ccc(Br)cc2O)OC1 2053742712 SOXSAZCVDJHZNV-MFKMUULPSA-N 314.223 3.059 10 10 DGCE C[C@]1(C(F)F)CCN(c2ccc(CN)cc2Br)C1 2054238691 SRSDPMXFDQEQIR-ZDUSSCGKSA-N 319.193 3.389 10 10 DGCE CN[C@H](C)c1ccc(N(C)[C@H]2CCOC[C@@H]2F)c(Cl)c1 2186746511 FMRCKRGYKYGALE-DGFSRKRXSA-N 300.805 3.184 10 10 DGCE NCc1ccc2c(c1)CCN2Cc1coc(Br)c1 2069540501 ZMEOEBJHLGONKT-UHFFFAOYSA-N 307.191 3.064 10 10 DGCE CC1=C(Br)CN(C(=O)CCc2ccc(N)cc2)CC1 2095899411 DCCJEAAZFGMSGI-UHFFFAOYSA-N 323.234 3.103 10 10 DGCE CC1(C)C[C@@H](N)CCN1Cc1cc(Cl)cc(Cl)c1O 2098861777 CLYBZWUWVPJDFN-NSHDSACASA-N 303.233 3.401 10 10 DGCE Brc1cc(N2CC=CC2)ccc1CNC1CCC1 2223530890 UVSFMWVLFGLGEC-UHFFFAOYSA-N 307.235 3.467 10 10 DGCE N=C(NO)c1cnc(Sc2nccc3ccccc23)s1 2296263749 RPKFAEOBMYLGMZ-UHFFFAOYSA-N 302.384 3.147 10 10 DGCE C[C@H](N)c1ccc(N2CCc3ncsc3CC2)cc1Cl 2287060106 AMVUQVLDWIQCEQ-JTQLQIEISA-N 307.850 3.421 10 10 DGCE COc1ccccc1C1=NC(=Cc2ccc(N(C)C)cc2)C(=O)O1 2297412463 GJKJDPQODQHYNN-UHFFFAOYSA-N 322.364 3.106 10 10 DGCE CCOC(=O)C1CCN(N=Nc2ccccc2OCC)CC1 2330193250 MFTNWONBQPYWCJ-UHFFFAOYSA-N 305.378 3.359 10 10 DGCE Cc1ccc(CN2CCO[C@H](C)CC2)c(O)c1Br 2327569024 VAGXRSUCGKZRSC-LLVKDONJSA-N 314.223 3.074 10 10 DGCE Cc1ccc(CN2C[C@@H](C)[C@@H](C)C2=O)c(O)c1Br 2327609356 ZFHADDSQEKOTJR-NXEZZACHSA-N 312.207 3.078 10 10 DGCE Cc1ccc(CN(C)[C@@H]2CCCC2=O)c(O)c1Br 2327614703 FULLIWLZOHEDGL-LLVKDONJSA-N 312.207 3.017 10 10 DGCE Cc1ccc(CNC(=O)OC(C)(C)C)c(O)c1Br 1893711956 WSOTUTOUYCHAAO-UHFFFAOYSA-N 316.195 3.488 10 10 DGCE CN1/C(=C/C=C2\SC(=S)NC2=O)C(C)(C)c2ccccc21 102117626 GRXBURXHFVDQEI-QRBCZBMESA-N 316.451 3.330 10 10 DGCE CN(C(=O)OC(C)(C)C)C1CCN(Cc2ccccc2O)CC1 179573161 UYEHFNBMZLHMNI-UHFFFAOYSA-N 320.433 3.224 10 10 DGCE C[C@@H](NC[C@@H](C)N(C)C(=O)OC(C)(C)C)c1c(O)cccc1O 304358861 YGTBHGBIMCNJTD-VXGBXAGGSA-N 324.421 3.004 10 10 DGCE COc1ccccc1N1CCN(c2ccc3c(c2)CCN3C)CC1 71702892 RWCYMYPPYBIZOD-UHFFFAOYSA-N 323.440 3.014 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H](F)[C@H]1c1cc(N)ccc1O 1953069575 QDFIJYRBLFOJDY-GXTWGEPZSA-N 310.369 3.385 10 10 DGCE Cc1c([C@H](NCCCN=[N+]=[N-])C(N)=O)ccc(Cl)c1Cl 2366032119 OZEKIFBRKKUAEY-NSHDSACASA-N 316.192 3.118 10 10 DGCE C[C@H](N[C@H](C)c1nnc2n1CCCCC2)c1ccccc1O 315081764 AHPXWKGKRZDQAK-QWHCGFSZSA-N 300.406 3.122 10 10 DGCE CC(C)(C)c1csc(NC(=O)COc2ccc(N)cc2)n1 49496567 LNMGQWWWRFHDQM-UHFFFAOYSA-N 305.403 3.040 10 10 DGCE CCCCNC(=O)N1CCN(c2ccc(OC(C)C)cc2)CC1 242733625 DDJMMNGVZCIPFN-UHFFFAOYSA-N 319.449 3.106 10 10 DGCE CSc1ncc(CN[C@]2(C(=O)O)C[C@@H](C)C[C@@H](C)C2)s1 2373740387 RTMVEDORYWIPET-MSRIBSCDSA-N 314.476 3.234 10 10 DGCE O=C1/C(=C/c2ccccn2)SC(=S)N1[C@H]1C[C@H]2CC[C@H]1C2 255910931 AGXTXWJTLIWVMF-HALGTZQVSA-N 316.451 3.471 10 10 DGCE COc1ccc(CCN[C@@H](C)c2cc(Cl)ccc2O)cn1 527989869 HBNDCMXBMYJFML-NSHDSACASA-N 306.793 3.343 10 10 DGCE Cc1cc(C)cc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)c1 1259523482 RRRRROSVHACTFA-UHFFFAOYSA-N 311.790 3.463 10 10 DGCE Cc1cc(O)c(CN2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)cc1C 373735965 KUAVIIHJJIZMKJ-TXPKVOOTSA-N 319.445 3.167 10 10 DGCE O=C(NCc1cc(Br)ccc1O)C1[C@@H]2CCCC[C@@H]12 804739644 MZSOARXOYUTLAW-VXGBXAGGSA-N 324.218 3.207 10 10 DGCE COc1ccc(N2CC[C@H](CN[C@@H]3CC[C@@H]3SC)C2)cc1 822494444 OTVJNGIIJLHSQL-XYPHTWIQSA-N 306.475 3.005 10 10 DGCE COc1ccc(O)c([C@@H](C)N[C@H](CO)CCc2ccccc2)c1 903289973 PRMHZOZGQKKFBB-ZBFHGGJFSA-N 315.413 3.045 10 10 DGCE CC(C)[C@H]1C[C@H](CN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)CCO1 834884772 CTJZAVHGVWJUFT-OGHNNQOOSA-N 322.405 3.402 10 10 DGCE O=C(Nc1cccc(N2CCOCC2)c1)c1cccc2cc[nH]c12 742565575 ATFQGUXDGBPRJZ-UHFFFAOYSA-N 321.380 3.257 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1CC[C@@H]1C 840372447 DOHWWRUTSODRJI-RVSPLBMKSA-N 303.450 3.090 10 10 DGCE CCCN(CCC)c1ccc(CNCC[C@H]2CCNC2)cc1 841035496 HJYQXRJRICGUAF-SFHVURJKSA-N 303.494 3.402 10 10 DGCE Cc1cc(CO)cc(N2CC=C(c3ccc(Cl)nc3)CC2)n1 853467809 JIKHUTHWZJVNQS-UHFFFAOYSA-N 315.804 3.224 10 10 DGCE CCc1cccc(CNC[C@@H](n2cccn2)C(F)(F)F)c1O 862434795 HPEDSKSIOVUVGJ-CYBMUJFWSA-N 313.323 3.044 10 10 DGCE CN(C)c1ccc(/C=C\c2nccc(-c3cnn(C)c3)n2)cc1 769614442 IZGKVUGAUWBHKU-TWGQIWQCSA-N 305.385 3.114 10 10 DGCE Cc1cc(Cl)cc(CNC[C@@H]2CCCCN2C2CC2)c1O 775156785 HMJGIPUUEYAXJU-INIZCTEOSA-N 308.853 3.461 10 10 DGCE CCC[C@](C)(O)CNCc1cc(C)cc(Br)c1O 781630961 YRXBRXXGQMZTOA-AWEZNQCLSA-N 316.239 3.104 10 10 DGCE CCN[C@H](c1ccccc1O)[C@@H]1C[C@H]1CNC(=O)OC(C)(C)C 1895336298 OZOXWFQMIDUWHM-JGGQBBKZSA-N 320.433 3.204 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2C[C@@H](C)O[C@H]2C)cc1 1135946115 GJSPYKMHGBXHIZ-RVKKMQEKSA-N 318.461 3.305 10 10 DGCE CC(C)[C@@H]1CC[C@H]1NCc1ccc(N2CCC(CO)CC2)cc1 796702979 OIKDZPVHOHWBCL-VQTJNVASSA-N 316.489 3.420 10 10 DGCE CCOc1c(/C=C2/SC(=S)N(CC)C2=O)cccc1OC 1084425653 FFMFARSNJRMDEZ-FMIVXFBMSA-N 323.439 3.315 10 10 DGCE CCN(c1ccc(N)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 1959573683 WFQKXVHCWQURLX-HNNXBMFYSA-N 305.422 3.105 10 10 DGCE CC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccc(N)cc1 1959573028 PJGQSRKZEQXADU-CQSZACIVSA-N 305.422 3.105 10 10 DGCE CCn1nc(C)c(Br)c1COc1ccc(N)cc1 89273237 VZYZFVPPMWBZNN-UHFFFAOYSA-N 310.195 3.135 10 10 DGCE C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1CCCCN=[N+]=[N-] 1962302092 XNHRVPHYJJMWNX-QWHCGFSZSA-N 311.430 3.312 10 10 DGCE COc1ccc(N(CCc2ccccc2)CC[S@@](C)=O)cc1 1167880710 DSHOMZHHZBTUDU-JOCHJYFZSA-N 317.454 3.123 10 10 DGCE CC(C)CCNCc1ccc(N2CCC(C(=O)O)CC2)cc1 84847047 UOPQQOFVJXDQKS-UHFFFAOYSA-N 304.434 3.123 10 10 DGCE C[C@H]1[C@H](NCc2cc(F)ccc2O)CCN1C(=O)OC(C)(C)C 704617744 SQMWXUHNGBGJPC-SMDDNHRTSA-N 324.396 3.019 10 10 DGCE C[C@H](NC[C@H]1CCN1Cc1ccccc1)c1cc(O)ccc1O 716299012 OORDZOFVBTYYQJ-GOEBONIOSA-N 312.413 3.023 10 10 DGCE C[C@@H]1CN(Cc2cc(Cl)ccc2O)C[C@](C)(C(F)F)O1 698930095 YRDBZNBOBKENDQ-YMTOWFKASA-N 305.752 3.290 10 10 DGCE CNCc1ccc(N2C[C@H]3CC[C@@H](C3)C2)c(Br)c1 699349461 BGVDYIUCMLPGCI-STQMWFEESA-N 309.251 3.405 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CC[C@H]2[C@H](C1)C2(F)F 1347500258 XDYMONYUOYYEIO-KCXAZCMYSA-N 322.399 3.359 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)[C@@H]2C[C@H]2CC(C)C)cc1 1531375020 OXMXUWHCHJOFGA-CRAIPNDOSA-N 318.461 3.272 10 10 DGCE CCc1cc(C(=O)NCc2ccc(N(CC)CC)c(F)c2)no1 1616923972 CMBGRFCATFBYQG-UHFFFAOYSA-N 319.380 3.152 10 10 DGCE O=C(NCc1c(O)cccc1O)[C@H]1C[C@]12CCCc1ccccc12 1472064347 VDJQFMUNGRGNMC-UZLBHIALSA-N 323.392 3.008 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1ccc(F)cc1N 1622319642 UBUWXUDMQZQIHM-UHFFFAOYSA-N 302.349 3.166 10 10 DGCE C[C@H](CC(=O)NCc1ccc(O)cc1O)c1cccc(F)c1 1639444184 ADOQVXJMMXJRFC-LLVKDONJSA-N 303.333 3.047 10 10 DGCE COc1ccc(CN[C@H](CNC(=O)C2CCC2)C(C)C)cc1C 1568440730 CKFWNZJFCKCSSL-QGZVFWFLSA-N 318.461 3.034 10 10 DGCE Cc1cc(CC(=O)N2CC(C)(F)C2)c(C)n1-c1ccccc1 1639958413 PJKQSEQAZNGCAA-UHFFFAOYSA-N 300.377 3.207 10 10 DGCE O=C(Nc1cc(-c2cccs2)on1)c1cccc(O)c1O 1648900387 UJDKVLQNNUSJHH-UHFFFAOYSA-N 302.311 3.067 10 10 DGCE CCCCN(CC[S@@](=O)C(F)(F)F)Cc1ccccc1O 1658434187 UCODXEAXRBBDGA-OAQYLSRUSA-N 323.380 3.263 10 10 DGCE CCN(Cc1c(Br)ccc(OC)c1O)CC(F)F 1964574714 MTNBPRPEWPNKDB-UHFFFAOYSA-N 324.165 3.250 10 10 DGCE O=C1N=C(Nc2cccc(C(=O)O)c2)S/C1=C\c1ccco1 16904446 MLOXKYZJEWSPMU-WQLSENKSSA-N 314.322 3.060 10 10 DGCE COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C/c1cccs1 6241661 KUZDXPQUGYJHOJ-MDWZMJQESA-N 305.399 3.077 10 10 DGCE C[C@H](NC(=O)Cc1ccc(N)cc1)c1ccc(F)c(Cl)c1 152744200 MUNRWUXXSAYYTH-JTQLQIEISA-N 306.768 3.481 10 10 DGCE Oc1c(F)cc(Br)cc1CNC[C@@H]1[C@H]2CC[C@H]21 1966076406 GWTSMWIFMMJNRS-URLYPYJESA-N 300.171 3.039 10 10 DGCE CC(C)[C@H](C[C@H](N)c1ccccc1O)NC(=O)OC(C)(C)C 1928469993 MUJIKLSBTJRPLG-KBPBESRZSA-N 308.422 3.331 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1NCc1ccccc1O 1935611724 KSYNNPNXDZMXOH-GJZGRUSLSA-N 320.433 3.318 10 10 DGCE CC(C)(C)OC(=O)N[C@H](C[C@H](N)c1ccccc1O)C1CCC1 1936970275 KISSTUVTJDOBNW-LSDHHAIUSA-N 320.433 3.476 10 10 DGCE CNCc1ccc(N2CC[C@H](N(C)Cc3ccccc3)C2)cc1C 1946814381 GSVXDFFVXXWPQY-NRFANRHFSA-N 323.484 3.425 10 10 DGCE CCN(CC)c1ccc([C@H](N)[C@H](C)NC(=O)OC(C)(C)C)cc1 1977940828 GVWVKTAVOAXDHD-XJKSGUPXSA-N 321.465 3.446 10 10 DGCE C[C@H](C[C@@H](O)c1ccc2c(c1)CCN2C)NC(=O)OC(C)(C)C 1977939038 NDHLIZGSVZREEH-MLGOLLRUSA-N 320.433 3.016 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@@H](F)C[C@H]2C)cc1Br 1997690902 GATARPSHFJSYBE-BBBLOLIVSA-N 301.203 3.406 10 10 DGCE Cc1sc(Br)nc1CN1CCC[C@H]1CN=[N+]=[N-] 2009442311 ZIIRSDRWUYUDFA-QMMMGPOBSA-N 316.228 3.489 10 10 DGCE Oc1c(Br)cccc1CN[C@@H](CF)C(F)(F)F 2012894592 ORXNBHZBVQRGCU-QMMMGPOBSA-N 316.092 3.145 10 10 DGCE C[C@@H]1COCC[C@H]1N(C)Cc1cc(Br)ccc1O 2031921167 SDCHKPJUFUTQGI-ZWNOBZJWSA-N 314.223 3.012 10 10 DGCE CC(C)(CO)CCCNCc1cccc(Br)c1O 304272081 FEHGTZIPONPBIQ-UHFFFAOYSA-N 316.239 3.043 10 10 DGCE Nc1ccc(CCCS(=O)(=O)c2ccc(Cl)cc2)cc1 312516094 FETNPKQOVFGFJG-UHFFFAOYSA-N 309.818 3.329 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCOc2ncccc21 2171216848 YMUPKXJBGCPBQM-UHFFFAOYSA-N 311.168 3.493 10 10 DGCE C[C@H](NCc1ccc(Br)o1)c1c(O)cccc1O 378945449 LPILIUVAPOPYPA-QMMMGPOBSA-N 312.163 3.304 10 10 DGCE NCc1ccc(N2CCC[C@@H](CF)C2)cc1Br 711476708 NXIPOEAOCTWUTQ-JTQLQIEISA-N 301.203 3.094 10 10 DGCE COc1cccc(O)c1[C@H](C)n1nc(-c2ccccc2)cc1CN 2070125972 ZSCMQDCJYMEQLI-ZDUSSCGKSA-N 323.396 3.332 10 10 DGCE CO[C@H]1CN(c2ccc([C@H](C)N)c(Cl)c2)CC(F)(F)C1 2185154284 MUYZWHXLWQFZCW-GXSJLCMTSA-N 304.768 3.220 10 10 DGCE COc1c(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])csc1Cl 2268924861 ZAWJSANSHRZLGC-SFYZADRCSA-N 300.771 3.371 10 10 DGCE O=C1C(=Cc2nccs2)SC(=S)N1Cc1ccco1 2294821360 KVCOGYNPAINJLU-UHFFFAOYSA-N 308.409 3.138 10 10 DGCE COc1cccc(CNC(=O)C=Cc2cc(C)cc(C)c2)c1O 2306917441 YQIFGSWPOQBQCM-UHFFFAOYSA-N 311.381 3.347 10 10 DGCE CCN(CCN=[N+]=[N-])C(=O)c1ccc(F)c(Br)c1 2315990331 YMSGOMOMHXXCLE-UHFFFAOYSA-N 315.146 3.361 10 10 DGCE Cc1ncc(CN(C)c2ccc([C@H](C)N)c(Br)c2)o1 2342833483 JIKORLRAACZDHA-VIFPVBQESA-N 324.222 3.402 10 10 DGCE Cc1ccnc(CN(C)c2ccc(CO)cc2Br)c1 2343508676 ARPNOGYLFGMUFF-UHFFFAOYSA-N 321.218 3.281 10 10 DGCE NC[C@@H]1CCN(c2ccc(OCCCc3ccccc3)cc2)C1 66056156 JWUZCUDDOASBKJ-SFHVURJKSA-N 310.441 3.483 10 10 DGCE CC(C)C(=O)Nc1cccc(NC(=O)Cc2ccc(N)cc2)c1 66153929 YYKYOKMWYCXKGQ-UHFFFAOYSA-N 311.385 3.045 10 10 DGCE N[C@@H](c1cccc(I)c1O)C1CCCC1 95780815 TZDPONLTTQONIL-LLVKDONJSA-N 317.170 3.187 10 10 DGCE c1ccc2c(c1)CCN(Cc1ccc(N3CCOCC3)cc1)C2 154439642 PYDYDIUAIKNVDC-UHFFFAOYSA-N 308.425 3.082 10 10 DGCE CNC(=O)c1ccc(C)c(N[C@@H](C)c2cc(F)ccc2O)c1 176984679 QITSDSDSGNPGPJ-NSHDSACASA-N 302.349 3.372 10 10 DGCE COc1ccc(N(Cc2nc(C3CC3)n[nH]2)[C@@H](C)C2CC2)cc1 180431042 WEFQQZRZLIUXRA-LBPRGKRZSA-N 312.417 3.496 10 10 DGCE COc1ccccc1[C@@H](O)CN[C@@H](C)c1cc(C)ccc1O 185096610 LMPUZCKJBFFBRX-GUYCJALGSA-N 301.386 3.093 10 10 DGCE CC(=O)Nc1ccc(NC(=S)Nc2ccc(N)cc2)cc1 244367798 XXCGOMOFSDHHAG-UHFFFAOYSA-N 300.387 3.036 10 10 DGCE CC(=O)N(C(=O)CCC(=O)c1ccc(C)cc1)c1ccc(N)cc1 244394776 YGVOJGCYFOSPBC-UHFFFAOYSA-N 324.380 3.120 10 10 DGCE C[C@@H](COCC(F)(F)F)NCc1cc(Cl)c(F)cc1O 293802446 CCEHNDCDWSRXBZ-ZETCQYMHSA-N 315.694 3.242 10 10 DGCE C[C@@H]1SCCN(c2ccc(CN)c(Br)c2)[C@H]1C 300296869 ZTISJDNOGNVMNZ-UWVGGRQHSA-N 315.280 3.238 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N2CCOCC[C@@H]2C)cc1 367647301 YBYSSCDHZDTBIL-AWEZNQCLSA-N 312.413 3.345 10 10 DGCE CC(C)NCc1ccc(N(C)[C@H](C)C[S@](C)=O)cc1Cl 398898836 PZDDVSQMVRPSMV-ODXCJYRJSA-N 316.898 3.041 10 10 DGCE CC[C@H]1CNCCN1c1ccc(OC(F)(F)F)cc1Cl 699652090 PICFHBIXEVDPBL-VIFPVBQESA-N 308.731 3.427 10 10 DGCE C[C@H](N)c1ccc(N2C[C@H]3[C@H](C2)C3(F)F)c(Br)c1 715495299 VAGKVGQWCVHLSK-HGNGGELXSA-N 317.177 3.170 10 10 DGCE CN1CCC[C@@H]2[C@@H]1CCN2Cc1cc(Cl)cc(Cl)c1O 720464994 IJVLDMBTRCCHGF-UONOGXRCSA-N 315.244 3.368 10 10 DGCE Cc1cc(C(=O)NCCOC(C)(C)C)c(C)n1-c1ccccn1 746866867 UBDDEAUJOHMIFX-UHFFFAOYSA-N 315.417 3.034 10 10 DGCE c1cc(-c2ncc(CNCc3ccc4c(c3)CCO4)s2)ccn1 753368785 RCAYZLNOOPAZFO-UHFFFAOYSA-N 323.421 3.430 10 10 DGCE Cc1ccc([C@@H](O)CNCc2cc(Cl)cc(C)c2O)cc1 775201509 QSOISXQMFSLWOO-INIZCTEOSA-N 305.805 3.486 10 10 DGCE Cc1ccc([C@H](O)CNCc2cc(Cl)cc(C)c2O)cc1 775201511 QSOISXQMFSLWOO-MRXNPFEDSA-N 305.805 3.486 10 10 DGCE CN(C)c1ccc(CN(C(=O)N[C@@H]2C[C@H]2C2CC2)C2CC2)cc1 797577788 OGZWPCCBNNOKGP-ZWKOTPCHSA-N 313.445 3.225 10 10 DGCE CCOc1ccc(O)c(CNC[C@@H]2CCO[C@@H](C(C)C)C2)c1 824798570 DZHLTFUTPXYSQC-RDTXWAMCSA-N 307.434 3.332 10 10 DGCE CSC1(CNC/C=C/c2ccc(N(C)C)cc2)CCOCC1 835041317 BAJZMUXKDMAOIQ-SNAWJCMRSA-N 320.502 3.268 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@@H](C2CC2)C(C)(C)CO)cc1 835051858 AKVXMZSVGPMRDI-XFHJGTJQSA-N 302.462 3.153 10 10 DGCE CCn1nc(C)c(CNCc2c(O)cc(C)cc2Cl)c1C 840888635 MGDLAHFOQHAVHT-UHFFFAOYSA-N 307.825 3.477 10 10 DGCE C[C@@H]1CCN(Cc2ccccc2O)C[C@@H]1C(=O)OC(C)(C)C 843414536 HXFCHFJBMMHOAT-HIFRSBDPSA-N 305.418 3.192 10 10 DGCE COc1cccc(CN[C@H](C)COc2c(F)cccc2F)c1O 850366989 UCYQDLVYBLGKOI-LLVKDONJSA-N 323.339 3.236 10 10 DGCE CC[C@@H](NCc1ccc(CNC(C)=O)cc1)c1ccccc1O 850484023 ASNYBICVLXWGEX-GOSISDBHSA-N 312.413 3.269 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)cc1 863731672 XRIJOEHTNQKRPX-KFKAGJAMSA-N 324.424 3.080 10 10 DGCE CC[C@@H](NC[C@@H]1CC2(CCOCC2)CO1)c1ccc(C)cc1O 866533369 QKYVBZCSASDQTQ-DOTOQJQBSA-N 319.445 3.327 10 10 DGCE CCSc1cc(C(=O)N2Cc3cccc(O)c3C2)ccn1 871200871 LCZQHSKLWXHUIG-UHFFFAOYSA-N 300.383 3.055 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cncc2[nH]ccc12 878009143 TVWRFDUYJPXDOW-UHFFFAOYSA-N 322.412 3.291 10 10 DGCE CC(C)O[C@H](C(=O)NCc1c(O)cccc1F)c1ccccc1 928706605 RNWYSLYJURLHTA-KRWDZBQOSA-N 317.360 3.314 10 10 DGCE CC[C@H](C)Oc1cc(N(C)Cc2ccccc2O)nc(C)n1 1162838426 OLXUWHUKRFHZCY-LBPRGKRZSA-N 301.390 3.304 10 10 DGCE COc1ccc(CNCCC[C@H](C)NC(=O)C(C)(C)C)cc1C 1277343997 ZSISSYSGHQYNEK-HNNXBMFYSA-N 320.477 3.424 10 10 DGCE Cc1ccc(C(=O)N[C@H]2[C@H](c3ccccc3)C2(C)C)c(O)c1O 1453880094 VALRCGLKJMBVNE-YOEHRIQHSA-N 311.381 3.328 10 10 DGCE O=C(/C=C/COc1ccccc1)NCc1cc(Cl)ccc1O 1557386951 OLQVNTVZXDRGCK-QPJJXVBHSA-N 317.772 3.297 10 10 DGCE CCOc1ccc(N(CCN2CCOC[C@H]2C)CC2CC2)cc1 1620499552 VELXJGMADUQKPY-MRXNPFEDSA-N 318.461 3.022 10 10 DGCE C[C@H](SCc1ccccc1)C(=O)NCc1ccc(O)cc1O 1630301533 FACUPWSQPYWUIA-LBPRGKRZSA-N 317.410 3.036 10 10 DGCE Cc1nc2c(NC(=O)/C=C\c3ccc(O)c(O)c3)cccc2o1 1640630010 RYNUHKVSNCQYPQ-VURMDHGXSA-N 310.309 3.199 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1noc2c1CCCC2 1647789045 ZBJLBIXBNLTWFP-UHFFFAOYSA-N 322.364 3.342 10 10 DGCE O=C(NCc1cc(O)ccc1O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 1651225582 PPVQQKKVALEJQA-HZSPNIEDSA-N 303.402 3.321 10 10 DGCE CN1C[C@@H]2CC[C@H](NCc3cc(Cl)cc(Cl)c3O)[C@H]2C1 1658777797 IZBMUWBGERSACK-WFBYXXMGSA-N 315.244 3.129 10 10 DGCE c1ccc(COc2ccc(N3CC4(CCNCC4)C3)cc2)cc1 1899859857 CTPKBCPXBFBVQQ-UHFFFAOYSA-N 308.425 3.455 10 10 DGCE CC(C)[C@H](C[C@H](N)c1ccccc1O)NC(=O)OC(C)(C)C 1928471946 MUJIKLSBTJRPLG-KBPBESRZSA-N 308.422 3.331 10 10 DGCE CC[C@](C)(CNC(=O)OC(C)(C)C)[C@@H](N)c1ccccc1O 1928481442 WKLPVAWGRAQIPD-WMLDXEAASA-N 308.422 3.333 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1C=CC[C@H]([C@H](N)c2ccccc2O)C1 1936976807 UPQQMCVEDHDJOL-ZENOOKHLSA-N 318.417 3.252 10 10 DGCE C[C@@H]1CCS[C@@H]1CNCc1cccc(Br)c1O 1945610629 SYLPXZLSLUXASW-BXKDBHETSA-N 316.264 3.386 10 10 DGCE CC(C)(C)OC(=O)N[C@@H](C(=O)O)c1ccc2ccccc2c1O 1951385316 ZWARRNTUCSOWFM-CYBMUJFWSA-N 317.341 3.196 10 10 DGCE Cc1cccc([C@H]2CC(=O)CCN2C(=O)OC(C)(C)C)c1O 1952068996 FMIBNOFPYVPKLV-CQSZACIVSA-N 305.374 3.342 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]2CCC[C@@H]2N1CCN=[N+]=[N-] 1962288468 WTGVSEWWFAXKEK-AVGNSLFASA-N 309.414 3.064 10 10 DGCE CCCn1cncc1CNCc1ccc(Br)cc1O 1964595707 XOCSPOQHWMOILC-UHFFFAOYSA-N 324.222 3.051 10 10 DGCE CC(C)(F)C1CN(c2ccc(CN)cc2Br)C1 2009109660 JSADWHJRFGKXLJ-UHFFFAOYSA-N 301.203 3.092 10 10 DGCE CC(C)(F)C1CN(c2ccc(CO)c(Br)c2)C1 2009110375 SCCAOPCSZQLBQC-UHFFFAOYSA-N 302.187 3.126 10 10 DGCE CC(C)OC1CN(c2ccc([C@H](C)O)c(Br)c2)C1 2040861424 JTCPSDMDTUIQMM-JTQLQIEISA-N 314.223 3.116 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC1CC2(CCOC2)C1 2097795354 WSKFEODQQIRGIU-UHFFFAOYSA-N 302.201 3.358 10 10 DGCE CC[C@@H]1CNCCCN1Cc1cc(Cl)cc(Cl)c1O 2102916159 VMKCFNVWOBHIBY-GFCCVEGCSA-N 303.233 3.273 10 10 DGCE O[C@]1(c2ccc(N3CCCCC3)cc2)CCCC2(C1)OCCO2 2163109291 XUDPANGEIGUMEQ-GOSISDBHSA-N 317.429 3.182 10 10 DGCE COCCN(c1ccc([C@@H](C)N)c(Cl)c1)[C@@H]1CCSC1 2170140858 PLEHHRQTCPRNNO-DGCLKSJQSA-N 314.882 3.318 10 10 DGCE CO[C@@H]1CC[C@@H](CN(C)c2cc(Cl)c(CN)cc2F)C1 2177387756 IYHOOEMWVCDYLU-ZYHUDNBSSA-N 300.805 3.189 10 10 DGCE CCc1cccc(CN[C@@H]2CS[C@@H](C(F)(F)F)C2)c1O 2189246194 QMWIVWJEXBMYTQ-NWDGAFQWSA-N 305.365 3.481 10 10 DGCE C[C@@H](N)c1cc(F)c(N(C)C[C@@H](F)C(F)(F)F)c(F)c1 2194688650 JAMQHIDTLBZTFA-LHLIQPBNSA-N 300.246 3.321 10 10 DGCE CC[C@H](N)Cc1ccc(N2CC(SC(F)F)C2)cc1C 2196712234 XUKDQTJQBTZWML-LBPRGKRZSA-N 300.418 3.419 10 10 DGCE COc1ccc(O)c(CNc2c(C)ccnc2Br)c1 2227174875 WEPXNMQNPJLHPW-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE NCc1ccc(N2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2)c(Br)c1 2228683918 AWRJXPQWBLTXOP-LVEBTZEWSA-N 319.246 3.166 10 10 DGCE Cc1cc(N2CCN(Cc3ccccc3)CC2)ccc1[C@@H](C)O 2243959711 DXMRHRRWNPFGAO-QGZVFWFLSA-N 310.441 3.371 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@H]1CCCN(C2CC2)C1 2288811183 XCPGZZFGGRRXHE-LBPRGKRZSA-N 315.244 3.415 10 10 DGCE CCOc1c(C=C2C(=O)N(CC)N=C2CC)cccc1OC 2332117438 GTEPGZRZWCIAAS-UHFFFAOYSA-N 302.374 3.105 10 10 DGCE Nc1cc(Cl)c(N2C(=O)CC(C3CC3)CC2=O)c(Cl)c1 2365778161 GERFFFOPZPUKPB-UHFFFAOYSA-N 313.184 3.255 10 10 DGCE O=C(O)c1cc2c3c(c1O)[C@@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@H]21 5331269 BOLUFUFJWZLKGZ-MROQNXINSA-N 309.365 3.243 10 10 DGCE Nc1ccc(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 37018411 IRMSYDZJHJNXPK-UHFFFAOYSA-N 305.721 3.012 10 10 DGCE Cc1cc(Br)cc(CN(C)C[C@@H]2CCCO2)c1O 124529154 INIQGHUXKBZFBA-ZDUSSCGKSA-N 314.223 3.074 10 10 DGCE C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@@H]1N(C)C 131459564 QJNMIAZIBFQRNK-RNCFNFMXSA-N 303.233 3.081 10 10 DGCE O=C(C[C@@H]1CCCc2ccccc21)NCc1ccc(O)c(O)c1 178446041 DIDKQRSLVREFGP-HNNXBMFYSA-N 311.381 3.224 10 10 DGCE CCc1cc(NC(=O)NCCc2ccc(O)c(O)c2)ccc1C 181967456 JQDUTEJEFISJSG-UHFFFAOYSA-N 314.385 3.333 10 10 DGCE C[C@H](NCc1ccc(CN(C)C)cc1)c1ccc(F)cc1O 184895392 GBCOQCKVUMYHEX-ZDUSSCGKSA-N 302.393 3.444 10 10 DGCE CO[C@@H](C)[C@H](C)NC(=O)c1cc(C)n(-c2ccccc2)c1C 190410568 SEBSMZNPZGHZQH-ZFWWWQNUSA-N 300.402 3.247 10 10 DGCE COc1cc(OC)c2c(=O)c3cccc(C)c3oc2c1N(C)C 196604663 JOTZJBUUTRCXOP-UHFFFAOYSA-N 313.353 3.338 10 10 DGCE O=C1/C(=C\c2ccccc2)SC(=S)N1Cc1ccccn1 209403837 KIOGDAILKBJDMJ-GXDHUFHOSA-N 312.419 3.483 10 10 DGCE CC[C@H](CNC(=O)OC(C)(C)C)N[C@H](C)c1ccc(O)cc1O 227725535 YZPDYYKLXGNMAF-VXGBXAGGSA-N 324.421 3.052 10 10 DGCE C[C@H]1CCCCN1C[C@H]1CCCN(Cc2ccccc2O)C1 245607643 MVNYOMITPIQXIU-IRXDYDNUSA-N 302.462 3.479 10 10 DGCE CCOc1cccc(CNc2ccc(N3CCC3=O)cc2)c1O 282257687 OZPLZESBDSCAKZ-UHFFFAOYSA-N 312.369 3.140 10 10 DGCE Cc1cc(N2CCN(Cc3ccccc3)C[C@@H](C)C2)ccc1CN 323509388 HOKMZJQZNNHZED-QGZVFWFLSA-N 323.484 3.412 10 10 DGCE Cc1ccc(N(C)C(=O)/C=C/c2cnc3ccccc3n2)nc1 493692886 MNTBARBMKXYPJL-CSKARUKUSA-N 304.353 3.009 10 10 DGCE COC[C@H]1CCCN1c1ccc([C@H](C)N)c(Br)c1 696544580 HLFXFPYKEAOXDM-CMPLNLGQSA-N 313.239 3.084 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)c1cc(Cl)nc(Cl)c1 701331938 DZFSLWALZIVWEK-MRVPVSSYSA-N 300.149 3.303 10 10 DGCE CC[C@H](C)[C@@H](N)[C@@H](N)c1ccc(OCc2ccccc2)cc1O 713767480 LDVJHXRPZKOFER-BKTGTZMESA-N 314.429 3.344 10 10 DGCE CCCNCc1cc(F)c(N(C)CC2CSC2)c(F)c1 718224917 QJAXSAUKGJWKEJ-UHFFFAOYSA-N 300.418 3.264 10 10 DGCE C[C@H](N[C@H](C)C(C)(C)O)c1cc(Br)c(F)cc1O 756820569 YHHUJONALKALBM-JGVFFNPUSA-N 320.202 3.104 10 10 DGCE C[C@@H](NC(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(N(C)C)cc1 773609736 BDMCKEGSVYAUAG-RPCCPQHDSA-N 301.434 3.301 10 10 DGCE CO[C@H]1CCCC[C@@H]1NCc1cccc(Br)c1O 799351727 GNELQGSZQSIQSZ-STQMWFEESA-N 314.223 3.202 10 10 DGCE Cc1cc(Br)c(O)c(CNC2(C(F)F)CC2)c1 800310733 JHEXPSWVYFXENW-UHFFFAOYSA-N 306.150 3.350 10 10 DGCE CO[C@@H](C)c1nsc(NCc2ccc(N(C)C)cc2C)n1 800852343 GQUHXTCGCSWPPI-NSHDSACASA-N 306.435 3.232 10 10 DGCE CC[C@@H](CC(F)F)C(=O)N[C@H](C)c1cc(OC)ccc1O 837485960 SIEBGBPIWVHERH-ZJUUUORDSA-N 301.333 3.259 10 10 DGCE Nc1ccc(NC(=O)N2CCC[C@]3(C2)OCc2ccccc23)cc1 841295826 GXGJTZYNKSKSIX-LJQANCHMSA-N 323.396 3.322 10 10 DGCE CN(Cc1cc2c(cc1O)CCC2)C[C@](C)(O)c1ccccc1 842628450 VPAISBUEMQYYPL-FQEVSTJZSA-N 311.425 3.220 10 10 DGCE Oc1ccccc1CNCC[C@@H]1CSc2ccccc2O1 842729141 GZQYWHSPQPRTIT-CQSZACIVSA-N 301.411 3.425 10 10 DGCE CCc1cccc(CN[C@H](C)Cc2c(C)nn(C)c2C)c1O 848897412 IJTUCKBOWOBTFV-GFCCVEGCSA-N 301.434 3.026 10 10 DGCE COC(=O)c1ccc(O)c([C@@H](C)NC[C@H](C)c2ccccn2)c1 850483272 VQRQDSLQUIOJOI-QWHCGFSZSA-N 314.385 3.028 10 10 DGCE CCO[C@H]1C[C@H](N[C@@H](C)c2cc(Br)ccc2O)C1 850514755 QGTLSLVDHYAAAD-DLOVCJGASA-N 314.223 3.373 10 10 DGCE CO[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)C1CCCCC1 854325015 VFBAKWABECZTMU-GOSISDBHSA-N 318.461 3.306 10 10 DGCE CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CC1CSC1 864636902 BDPHINZQMRYSBO-UHFFFAOYSA-N 318.486 3.388 10 10 DGCE CC[C@@H](NCCCSc1nccs1)[C@H]1CCCOC1 872038475 NZCAHFKWFYOIHL-QWHCGFSZSA-N 300.493 3.420 10 10 DGCE Cc1cc(CCNCc2cc(Cl)cc(Cl)c2O)nn1C 922689466 IJRQJEVTSGAITQ-UHFFFAOYSA-N 314.216 3.073 10 10 DGCE C[C@H](N[C@@H](C1CC1)[C@@H]1CCCOC1)c1cc([N+](=O)[O-])ccc1O 927069855 NKURMANKSVEVRQ-PPHDSNJXSA-N 320.389 3.156 10 10 DGCE O=C(NCc1c(O)cccc1F)[C@H]1CC[C@H](C(F)(F)F)C1 928708725 RQXOXUYFZCLQBN-IUCAKERBSA-N 305.271 3.126 10 10 DGCE CN(C(=O)Cc1ccc(O)c(O)c1)[C@@H]1CCCc2ccccc21 1290595313 WUINLJIBGZVYIP-MRXNPFEDSA-N 311.381 3.176 10 10 DGCE CCN(CC)c1ccc(CNC(=O)C[C@H]2CCCC[C@@H]2O)cc1 1291711868 WFMOWADQILTEPI-AEFFLSMTSA-N 318.461 3.090 10 10 DGCE CCON(CC1CCCCC1)C(=O)Cc1ccc(O)c(O)c1 1299177633 STRYJVWCKFTXQU-UHFFFAOYSA-N 307.390 3.001 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N1CCCCC[C@@H]1c1ccco1 1543968791 HPQUKSZMWRNEKO-CQSZACIVSA-N 315.369 3.377 10 10 DGCE CCCc1[nH]ccc1C(=O)NCc1ccc2cccnc2c1O 1570533826 SEIIWGKTQZKDRP-UHFFFAOYSA-N 309.369 3.151 10 10 DGCE CC1(C)CCC[C@@H]1CCNC(=O)/C=C/c1ccc(O)c(O)c1 1633668020 WAFOADHMMLTYOH-IZPAUZPXSA-N 303.402 3.444 10 10 DGCE C[C@H](Cn1ccc2ccccc21)C(=O)NCc1ccc(O)cc1O 1639444417 KZTVLBBPAMBTTG-CYBMUJFWSA-N 324.380 3.005 10 10 DGCE Nc1ccc(O[C@H]2CC[C@@H]2NC(=O)OCc2ccccc2)cc1 1883783821 GHXRJVNJGDOHGQ-IRXDYDNUSA-N 312.369 3.105 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN(C(=O)c2cccnc2Br)C1 1912193042 BMDSKXYIVGQODG-VIFPVBQESA-N 324.182 3.007 10 10 DGCE CNCc1cc(F)c(N(CCCO)Cc2ccccc2)c(F)c1 1914641702 IXNYJCUVHNYFAY-UHFFFAOYSA-N 320.383 3.073 10 10 DGCE Cc1cccc(N)c1N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C 1959369980 JHCWMXYVSCWBGD-TZMCWYRMSA-N 305.422 3.245 10 10 DGCE CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NC)c1ccc(N(C)C)cc1 1977946556 VYUGDHLJXLFLSY-HZPDHXFCSA-N 321.465 3.316 10 10 DGCE C[C@@H]1COCC[C@H]1N(C)Cc1cccc(Br)c1O 2031920071 OMAAKWWTKZDZEP-ZWNOBZJWSA-N 314.223 3.012 10 10 DGCE CN(c1cc(Br)c(CN)cc1F)C1CC2(CC2)C1 2037402751 ALQJULYIROXMOT-UHFFFAOYSA-N 313.214 3.426 10 10 DGCE Nc1ccc(CCOCc2ccncc2Br)cc1 2056190747 CUYJQSYVSPPRJW-UHFFFAOYSA-N 307.191 3.186 10 10 DGCE CNCc1ccc(N2C[C@@H](F)C[C@@H](F)C2)cc1Br 2062397829 XNIWSQBHOFXVRN-PHIMTYICSA-N 319.193 3.055 10 10 DGCE C[C@@H](O)c1ccc(N(C)CCOC(F)F)cc1Br 2082822410 NIBHYNJQANKVCF-MRVPVSSYSA-N 324.165 3.178 10 10 DGCE COc1ccc2nc(Sc3ncc(C(C)=O)s3)[nH]c2c1 2159809082 KFUGBLNZVRPWHO-UHFFFAOYSA-N 305.384 3.382 10 10 DGCE CP(C)(=O)[C@H]1CCCCN1c1c(F)cc(CN)cc1F 2164549067 CGQONVPJJPVCMP-ZDUSSCGKSA-N 302.305 3.363 10 10 DGCE CCN[C@@]1(CO)C[C@@H](Sc2nccs2)CC2(CCC2)C1 2183541763 HVNKUPDAWQDDDW-WFASDCNBSA-N 312.504 3.299 10 10 DGCE CCN[C@@H](C)c1ccc(N2CC(SC(F)F)C2)cc1O 2196704719 QKKILPGPNJSSGN-VIFPVBQESA-N 302.390 3.207 10 10 DGCE CC[C@H](C)NCc1ccc(N(C)CC[S@](C)=O)c(Cl)c1 2240083289 ZEFWGASEVOZYDP-YUNKPMOVSA-N 316.898 3.043 10 10 DGCE COc1ccc(Br)c(NCc2cccc(C)c2O)n1 2265804683 WWSPHJHSKIIQTN-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE CN(Cc1cccc(Br)c1O)C[C@H]1C[C@@H](F)C1 2307370329 LLZRKZZJZLUBAQ-JGZJWPJOSA-N 302.187 3.335 10 10 DGCE Cc1coc(N(C)Cc2ccc(C)c(Br)c2O)n1 2327604851 AUKHYGVNIWESSM-UHFFFAOYSA-N 311.179 3.396 10 10 DGCE CC[C@@H]1C[C@H](NCc2ccc(C)c(Br)c2O)CO1 2327793364 UQFZNQCABPJTPC-NWDGAFQWSA-N 314.223 3.120 10 10 DGCE NCC12CC(CCN1Cc1cc(Cl)cc(Cl)c1O)C2 2340496664 OZHZEWWDIFMKOP-UHFFFAOYSA-N 301.217 3.012 10 10 DGCE CCc1nc(NCc2ccc(C)c(Br)c2O)cn1C 2352637248 JIZZRTXMZPBCHL-UHFFFAOYSA-N 324.222 3.371 10 10 DGCE O=C(O)C1(Sc2nccs2)CC(OCc2ccccc2)C1 1893479647 HRITUNAZPKTZLQ-UHFFFAOYSA-N 321.423 3.438 10 10 DGCE COC(=O)c1sc2ncnc(Nc3ccc(N)cc3)c2c1C 20321911 PDZCVALHEVFRET-UHFFFAOYSA-N 314.370 3.112 10 10 DGCE CN1C(=O)/C(=C/c2ccc(N3CCCCC3)o2)SC1=S 38704528 KSOAAWFILAVRIB-LUAWRHEFSA-N 308.428 3.101 10 10 DGCE C[C@H]1[C@@H](C)SCCN1c1ccc(CN)c(Br)c1 300296870 ZTISJDNOGNVMNZ-VHSXEESVSA-N 315.280 3.238 10 10 DGCE CC[C@@H](NCCCC(=O)O)c1cc(Br)ccc1O 37418358 ONMLUPGSEYQPRP-LLVKDONJSA-N 316.195 3.060 10 10 DGCE CCCC[C@@]1(C)CN(CCCO)c2cc(OC)c(OC)cc2N1 75280806 LXRGOKWJTCBVQX-SFHVURJKSA-N 322.449 3.267 10 10 DGCE CC[C@H](C)[C@H]1CN(c2cc(Cl)c(OC)cc2OC)CCN1 86129524 BUUMYXCWPRDURB-WCQYABFASA-N 312.841 3.182 10 10 DGCE C[C@H](N[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1O 382484465 SPNKJOLJLBPHMD-IHRRRGAJSA-N 320.433 3.489 10 10 DGCE C[C@H]1CN(Cc2ccccc2)CCN1CCc1ccc(N)cc1 382657638 MJTIKKSNBRZPHZ-KRWDZBQOSA-N 309.457 3.018 10 10 DGCE NCc1ccc(N2C[C@H]3CCC[C@H]3C2)c(F)c1Br 231840468 KTXWNPRZLJHPIH-PHIMTYICSA-N 313.214 3.283 10 10 DGCE CCO[C@@H]1C[C@H](N[C@H](C)c2ccc(C)cc2O)C12CCOCC2 248651021 XBFRXRIDNGRXCA-FHLIZLRMSA-N 319.445 3.325 10 10 DGCE Oc1c(Cl)cccc1CN1CC(O)(c2ccc(Cl)cc2)C1 811508899 JUIZYOCVWCEWOQ-UHFFFAOYSA-N 324.207 3.402 10 10 DGCE Cc1ccc(C(=O)NCc2ccc(C3CC3)cc2F)c(O)c1O 816791605 WHLCJIZHFPVJLJ-UHFFFAOYSA-N 315.344 3.353 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H](C)[C@H]1CCCO1 824234181 FWPHLLHOZFEVRU-CRAIPNDOSA-N 318.461 3.306 10 10 DGCE CCOC(=O)[C@@H]1CC[C@H](NCc2cc(Cl)c(C)cc2O)C1 825762778 SGDUHVCQWXUJHC-YPMHNXCESA-N 311.809 3.175 10 10 DGCE COc1ccc(O)c(CNCC(F)(F)c2ccc(F)cc2)c1 827612975 JOBMULZCKXWQRN-UHFFFAOYSA-N 311.303 3.422 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc(Cl)o2)c1 729042996 NWHNAKDOMKWKTA-SECBINFHSA-N 324.764 3.208 10 10 DGCE C[C@H](N[C@H]1CCn2ccnc21)c1ccc(Br)cc1O 834833217 VZHDFQYBSJCHLX-CABZTGNLSA-N 322.206 3.147 10 10 DGCE Cc1cc(CC(=O)NCCc2ccc[nH]2)c(C)n1-c1ccccc1 831454991 WNKCRRMPDXVYHM-UHFFFAOYSA-N 321.424 3.324 10 10 DGCE CCCn1nc(C)c(CN2CCCc3cc(CN)ccc32)c1C 843057634 GCVHROKGINNVRI-UHFFFAOYSA-N 312.461 3.321 10 10 DGCE CC(C)(C)OC(=O)CN(Cc1cc(F)ccc1O)CC1CC1 846052929 KSJZGDJDYFPJGB-UHFFFAOYSA-N 309.381 3.085 10 10 DGCE CCOc1ccc(CNC[C@@H]2CCC3(CCCC3)O2)c(O)c1 848576286 LWZSMGIFUPIOHB-INIZCTEOSA-N 305.418 3.372 10 10 DGCE Cc1cc(O)c(CNC[C@](C)(O)c2cccs2)c(Cl)c1 840901055 XOBBURLUSNMTGD-HNNXBMFYSA-N 311.834 3.413 10 10 DGCE CC(=O)[C@H](C)CCCCC(=O)NCc1cc(Cl)ccc1O 846477923 XRLNMLLJCWFYFB-LLVKDONJSA-N 311.809 3.447 10 10 DGCE C[C@]1(c2cccc(F)c2)CCN(C(=O)c2cccc(O)c2O)C1 846317043 GHPGIGMMFPWBSY-SFHVURJKSA-N 315.344 3.041 10 10 DGCE COc1ccc(N2CC[C@H](CN[C@@H](C)[C@H]3CCCCO3)C2)cc1 858428487 URKCKEAJQOPPEP-FRQCXROJSA-N 318.461 3.069 10 10 DGCE CC(C)(/C=C/Cl)NC(=O)NCCCSc1nccs1 921447729 QYHVJOLHHZPPOZ-SNAWJCMRSA-N 319.883 3.456 10 10 DGCE CC[C@H](N[C@@H]1CNC[C@H]1C)c1cc(Cl)cc(Cl)c1O 925782168 DSGUGBIAQYRFPI-OXHMUOHRSA-N 303.233 3.348 10 10 DGCE Cc1ccc(O)c(CNC(=O)C[C@@H]2CCOc3ccccc32)c1 862761006 ZVBRWYTVTQRJAC-AWEZNQCLSA-N 311.381 3.273 10 10 DGCE Cc1ccc(/C=C\C(=O)N2CCN(C)c3ccc(F)cc32)cn1 779472763 HTSHTBGKAXFBOJ-YVMONPNESA-N 311.360 3.025 10 10 DGCE C[C@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@@H]1F 778620561 NPTBARNFXOPPNU-YOEHRIQHSA-N 319.424 3.176 10 10 DGCE COc1cccc([C@H](C)OC(=O)/C=C/c2ccc(O)c(O)c2)c1 784285800 DSHXJAMGVRABTD-CRALRDPISA-N 314.337 3.424 10 10 DGCE CCOC(=O)[C@@H]1CC[C@H](N[C@H]2C[C@H](C)c3c(F)ccc(O)c32)C1 798002825 SZPQTQJSTRUDTJ-OPDFLTKYSA-N 321.392 3.401 10 10 DGCE CN1CC[C@@](C)(CNCc2cc(Cl)cc(Cl)c2O)C1 1879334072 QJSKOEQMVPIHFX-AWEZNQCLSA-N 303.233 3.130 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)c1ccoc1Cl 1142728480 UZEFZVDQWQSZSM-UHFFFAOYSA-N 302.717 3.117 10 10 DGCE CCSCc1ccccc1C(=O)NCc1c(O)cccc1O 1156886348 ZNODSSPEXDCWDN-UHFFFAOYSA-N 317.410 3.281 10 10 DGCE CC(C)CN1CCC(C(=O)NCc2cc(Cl)ccc2O)CC1 1300396317 NZFKZAJHMZHZIA-UHFFFAOYSA-N 324.852 3.030 10 10 DGCE CC(C)(C)OC(=O)N1CC2(CCN(CCCCN=[N+]=[N-])C2)C1 1962298067 BTKQUBCEUXYINR-UHFFFAOYSA-N 309.414 3.020 10 10 DGCE Cc1ccc(C(=O)NC2(c3ccccc3F)CCC2)c(O)c1O 1163145947 OEQDLDZGASQYNG-UHFFFAOYSA-N 315.344 3.355 10 10 DGCE C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccccc1O 1171729409 BRRLKYCFDPWIOO-LBPRGKRZSA-N 314.341 3.110 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)NC1CC2(C1)CC2(F)F 1327914432 XRFRUXKZQIFQKX-UHFFFAOYSA-N 323.387 3.048 10 10 DGCE COc1cc(Cl)cc(CN(C[C@@H](C)OC)C(C)C)c1O 708277949 JINDQVTXWQURSU-LLVKDONJSA-N 301.814 3.300 10 10 DGCE CN(C[C@H]1C[C@@H]2C[C@@H]2C1)c1ccc(CN)cc1Br 697843531 FSZFNGMRBYVRKE-CLLJXQQHSA-N 309.251 3.390 10 10 DGCE COC(=O)[C@@H](NCCCN=[N+]=[N-])c1c(Cl)cccc1Cl 90259629 WNZCJKYUJZXYOA-NSHDSACASA-N 317.176 3.498 10 10 DGCE CC[C@H](NCCc1ccc(OC)nc1)c1ccc(N(C)C)cc1 1334935032 NPQRLWDMVQWHNX-SFHVURJKSA-N 313.445 3.440 10 10 DGCE C[C@@]1(C(F)F)CN(Cc2cc(Cl)c(F)cc2O)CCO1 1261694751 XYROIBZRSYHEGB-ZDUSSCGKSA-N 309.715 3.041 10 10 DGCE C[C@@H](NC(=O)c1nncc2ccccc12)c1ccc(N(C)C)cc1 1459180516 ZWSDTUDOISQTKN-CYBMUJFWSA-N 320.396 3.187 10 10 DGCE C[C@@H](NCCC(=O)Nc1cccc(F)c1)c1ccccc1O 1473723117 YMLOSTBHMFZZKY-GFCCVEGCSA-N 302.349 3.211 10 10 DGCE C[C@@H](NC(=O)Cc1cc(F)c(F)cc1F)c1ccccc1O 1471195728 NAYTUTFMRJXKPK-SECBINFHSA-N 309.287 3.229 10 10 DGCE C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1cccc(O)c1O 1621177341 YFPBDGRJTPQCMU-HWPZZCPQSA-N 315.344 3.290 10 10 DGCE COCc1cccc(NC(=O)c2ccc(N=NC(N)=O)cc2)c1 1624086390 HNBLULZOSKPOND-UHFFFAOYSA-N 312.329 3.248 10 10 DGCE C[C@@H](NC(=O)c1ccc(C(F)(F)F)nc1)c1ccccc1O 1635793858 LGRRROSIUTWJBU-SECBINFHSA-N 310.275 3.297 10 10 DGCE Cc1oc2ccccc2c1CC(=O)NCc1c(O)cccc1O 1639292794 QYPNHMSNNHCVKP-UHFFFAOYSA-N 311.337 3.011 10 10 DGCE Cc1cc(C(=O)NCc2c(O)ccc3ccccc23)c(C)n1C 1645440450 DORNMAFQRNVUBR-UHFFFAOYSA-N 308.381 3.431 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1ccc2cc[nH]c2n1 1647790893 BEOCVCPQUSYLIV-UHFFFAOYSA-N 317.348 3.352 10 10 DGCE C/C(=C/c1ccccn1)C(=O)Nc1c(Cl)ccc2nonc12 1586677227 PJONRFGVVBYFNY-HJWRWDBZSA-N 314.732 3.313 10 10 DGCE CNCc1ccc(N2CC[C@]3(O)CCCC[C@@H]3C2)c(Cl)c1 164170385 ZJWQKWRFLFXLCS-RHSMWYFYSA-N 308.853 3.191 10 10 DGCE Nc1ccc(NC(=O)C2=NO[C@H](c3ccc(F)c(F)c3)C2)cc1 586036673 RQTPBMLRIVKZGW-HNNXBMFYSA-N 317.295 3.003 10 10 DGCE Cc1nc(Cl)nc(Cl)c1CCN1CC[C@H](N=[N+]=[N-])C1 1912196860 NEABSRCSLNAKTH-QMMMGPOBSA-N 301.181 3.019 10 10 DGCE C[C@H](O)CN(Cc1ccccc1)c1ccc([C@@H](C)O)cc1F 1914610989 VYNVRRLSAPSNSE-UONOGXRCSA-N 303.377 3.266 10 10 DGCE COc1ccc(Br)c(CN[C@H]2CC23CCC3)c1O 1965910416 QSKFYWKFEYAFJH-LBPRGKRZSA-N 312.207 3.196 10 10 DGCE CCN(C(=O)OC(C)(C)C)C(C)(C)[C@@H](N)c1ccccc1O 1928468810 AMVMTGDROYDHNB-AWEZNQCLSA-N 308.422 3.428 10 10 DGCE C[C@@H](N)c1ccc(N2CC=CCC23COC3)cc1Br 2137014577 YXERCRURNSZSSD-LLVKDONJSA-N 323.234 3.004 10 10 DGCE CC[C@@H]1[C@H]([C@@H](N)c2ccccc2O)CCN1C(=O)OC(C)(C)C 1936986464 IDQBXAJJHLDEOF-XNRPHZJLSA-N 320.433 3.428 10 10 DGCE CC(C)(C)OC(=O)Nc1cccc([C@@H](N)c2ccccc2O)n1 1936986205 FNWLANNTRCILCD-HNNXBMFYSA-N 315.373 3.182 10 10 DGCE Nc1cc2c(cc1N(Cc1ccccc1)CC1CC1)NC(=O)CO2 1946896513 LXKDHLQAOQCOEL-UHFFFAOYSA-N 323.396 3.016 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H]1CNCc1c(O)cccc1F 1976871832 AZYBZVPJTMONDK-GFCCVEGCSA-N 324.396 3.020 10 10 DGCE C[C@H]1CCN(c2ccc(N)cc2)C[C@H]1CNC(=O)OC(C)(C)C 1977966994 AXOJSELFLIPNIM-UONOGXRCSA-N 319.449 3.256 10 10 DGCE C[C@@H]1C[C@@]1(F)CN(C)c1ccc(CO)cc1Br 2025731821 MJNWDZWFQMEKPQ-NOZJJQNGSA-N 302.187 3.126 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)c2sccc2Br)C1 403724295 VRQCOLUIMLHAIC-SSDOTTSWSA-N 315.196 3.426 10 10 DGCE C[C@@H](O)c1ccc(N(CCO)Cc2ccsc2)c(Cl)c1 2171089166 OYIPDGUEMNSICI-LLVKDONJSA-N 311.834 3.454 10 10 DGCE C[C@H](O)c1ccc(N(CCO)Cc2cccs2)c(Cl)c1 2171092427 NBPWKFLIWRBKPZ-NSHDSACASA-N 311.834 3.454 10 10 DGCE CCSC1CCN(c2c(F)cc(CNC)cc2F)CC1 383482533 UWAYBHYDULBCGZ-UHFFFAOYSA-N 300.418 3.406 10 10 DGCE Oc1ccc(Br)cc1CNC[C@@H]1C2C[C@@H]3C1[C@@H]3C2 2070866055 SMPWNMHDIRFVRW-ODQIJDEKSA-N 308.219 3.146 10 10 DGCE CC(C)NCc1cc(F)c(N(C)CP(C)(C)=O)c(F)c1 2198578546 YZOJLJFCKZJUOF-UHFFFAOYSA-N 304.321 3.479 10 10 DGCE CC(C)N[C@@](CO)(CCCSc1nccs1)C(C)C 2087809794 RHMAMZPMCOTQCC-CQSZACIVSA-N 302.509 3.401 10 10 DGCE COc1ccc(Br)c(CN2C[C@H](C)[C@@H](C)C2)c1O 2220490228 ZTBXEQLESLOEPX-UWVGGRQHSA-N 314.223 3.251 10 10 DGCE C[C@@H](O)c1ccc(N2CC[C@H]3C[C@]3(F)C2)cc1Br 2222657962 PWAKARYRKJEAPF-BFVZDQMLSA-N 314.198 3.441 10 10 DGCE CC(C)n1nc(Br)cc1[C@H](O)Cc1ccc(N)cc1 2224291384 CPSPBJNVMMGXGT-CYBMUJFWSA-N 324.222 3.085 10 10 DGCE COCCNCc1c(F)cc(F)cc1Sc1nccs1 2235804946 ISCTZKAPOQJKDQ-UHFFFAOYSA-N 316.398 3.309 10 10 DGCE CN(C)c1ccc([C@@H](NN)c2c(Cl)cncc2Cl)cc1 2235999750 MUSUSLUXXGWUNZ-CQSZACIVSA-N 311.216 3.007 10 10 DGCE CSc1ncc(CN2C[C@@H](C)[C@@H](CNC(C)(C)C)C2)s1 2284721084 BMHFEIIADWMWOI-NEPJUHHUSA-N 313.536 3.321 10 10 DGCE C[C@H](CCN(C)C)N(C)Cc1cc(Cl)cc(Cl)c1O 2273148326 XXZLNHILAVHPGE-SNVBAGLBSA-N 305.249 3.471 10 10 DGCE CC(C)c1ccc(C=C2SC(=S)N(CCCO)C2=O)cc1 2294874415 ADRXLTIBWRDLSC-UHFFFAOYSA-N 321.467 3.394 10 10 DGCE CN(C)CN1C(=O)C(=Cc2cccnc2)c2ccc(Cl)cc21 2296595881 OYQBBMHFPNRRIX-UHFFFAOYSA-N 313.788 3.141 10 10 DGCE C[C@@H](N)c1ccc(N2CCO[C@H](P(C)(C)=O)C2)c(Cl)c1 2289304578 GZCCLCWVJYLQNN-QMTHXVAHSA-N 316.769 3.145 10 10 DGCE O=C1NC(=S)SC1=Cc1ccc(F)cc1C(F)(F)F 2302310853 PNZRBHWENXLRPE-UHFFFAOYSA-N 307.293 3.333 10 10 DGCE CC(=Cc1cccc(Cl)c1)C(=O)NCc1ccc(O)c(O)c1 2307787295 AQCSERNYKGSXEF-UHFFFAOYSA-N 317.772 3.471 10 10 DGCE CCN(Cc1ccc(C)c(Br)c1O)C(C)(C)CO 2327796377 GMFKAOONMRXVLF-UHFFFAOYSA-N 316.239 3.056 10 10 DGCE Nc1cc(Cl)cc(Cl)c1NC(=O)c1cccc(O)c1O 2353865968 RHZQRZAWPORZSN-UHFFFAOYSA-N 313.140 3.239 10 10 DGCE CN(C)c1ccc(CNC(=S)Nc2ccc(F)cc2)cc1 7371522 AMVJBONMMCRZSY-UHFFFAOYSA-N 303.406 3.378 10 10 DGCE CCCNCc1ccc(OC)c(CSc2nncs2)c1 81869303 GDHLLWDMSORMSY-UHFFFAOYSA-N 309.460 3.339 10 10 DGCE CCN(C(=O)/C=C/c1cncc(C)c1)c1ccccc1C(=O)OC 129960389 HUPDSPLFOLYUEI-MDZDMXLPSA-N 324.380 3.243 10 10 DGCE Cc1cc2cccc(N)c2n1C(=O)[C@@H](C)Cc1ccc(O)c(O)c1 170026902 GWBLMACKDZLMGA-NSHDSACASA-N 324.380 3.462 10 10 DGCE CCN(CC)c1ccc(/C=C2/N=C(c3ccccn3)OC2=O)cc1 172350822 VNANNBZOOFCZEI-GHRIWEEISA-N 321.380 3.272 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)/C=C\c2ccc(F)cc2)c1 255077610 ODWTWCFUVBSXRV-JSJZCHLLSA-N 315.344 3.431 10 10 DGCE CN[C@@H](c1ccccc1O)C1CCN(C(=O)OC(C)(C)C)CC1 259681501 IXLWWGUQWVNEAV-MRXNPFEDSA-N 320.433 3.300 10 10 DGCE CCOc1cc(NCCc2ccc(N)cc2)ccc1[N+](=O)[O-] 261813583 ABHCISKQGXACKM-UHFFFAOYSA-N 301.346 3.230 10 10 DGCE CC(C)(C)C[C@H](CO)NCc1cccc(Br)c1O 305168096 DMZNOFFQBXJTFF-LLVKDONJSA-N 316.239 3.041 10 10 DGCE C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@]1(C)CN 311378308 AFVBVKFNZQVRSU-XPTSAGLGSA-N 303.233 3.116 10 10 DGCE CN(Cc1cncc(Br)c1)c1ccc(CN)cc1F 703094469 LKDHOBWWSKPHAA-UHFFFAOYSA-N 324.197 3.078 10 10 DGCE CC[C@H]1[C@H](NCc2ccccc2O)CCN1C(=O)OC(C)(C)C 704613943 FOYRSMVOZRFGSG-CABCVRRESA-N 320.433 3.270 10 10 DGCE C[C@H]1CN(c2ccc(CN)c(Cl)c2)C[C@@](C)(C(F)F)O1 705115896 HHHXTEHAXCLBNH-XPTSAGLGSA-N 304.768 3.048 10 10 DGCE COCC1(N(C)c2ccc([C@@H](C)O)cc2Br)CC1 706387066 XEGJMJKEVYULDF-SNVBAGLBSA-N 314.223 3.118 10 10 DGCE C[C@@H]1OCC[C@@H]1NCc1cc(Cl)cc(Br)c1O 708055347 CWPAVQIJGUPQIB-CPCISQLKSA-N 320.614 3.075 10 10 DGCE CCN(CC)c1ccc(CNC(=O)CCOCC2CC2)cc1F 751377879 MMUYOLCFYIGBJF-UHFFFAOYSA-N 322.424 3.105 10 10 DGCE CCn1c(C)cc(C(=O)CN(C)c2ccc3c(c2)OCO3)c1C 756654793 YZGZWZIURYJVQF-UHFFFAOYSA-N 314.385 3.173 10 10 DGCE Cc1cc(Br)c(O)c(CN(C)Cc2ccc[nH]2)c1 781907088 DGFAJSXWICXMHR-UHFFFAOYSA-N 309.207 3.423 10 10 DGCE CCCC1(C(=O)NCc2cc(Br)ccc2O)CC1 804734456 LUWALIJYRQVQQV-UHFFFAOYSA-N 312.207 3.351 10 10 DGCE CN(C)c1ccc(CN(Cc2cn[nH]c2)Cc2ccco2)cc1 809731377 GZPFEYLKJCMKMN-UHFFFAOYSA-N 310.401 3.271 10 10 DGCE CC[C@@H](N[C@@H]1CNCCC1(F)F)c1cccc(Cl)c1O 817979778 FDNSNBMUPKRNKY-VXGBXAGGSA-N 304.768 3.084 10 10 DGCE CCOc1ccc(O)c(CN2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 824695698 BHFCFEKFGLCFBD-SCTDSRPQSA-N 319.445 3.306 10 10 DGCE O=C(NCc1ccc(N2CCCC2)cc1)c1ccc2c(c1)CCN2 827004328 FKCXDGFQPWGMIG-UHFFFAOYSA-N 321.424 3.185 10 10 DGCE CCc1cccc(CN2C[C@]34CCCC[C@]3(COC4)C2)c1O 827849115 AAYGBMDCSZGHNX-KDURUIRLSA-N 301.430 3.347 10 10 DGCE CN(C)c1ccc(/C=C/CNC[C@H](O)c2ccccc2F)cc1 835036972 SPHLMOHAKBJCHV-UEKDZROGSA-N 314.404 3.228 10 10 DGCE CC[C@H]1CCN1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C 840483301 JGQOBPAWVHOQBI-ZBFHGGJFSA-N 303.450 3.186 10 10 DGCE CN(C)c1ccc(CN[C@H]2CCN(c3ccc(F)cc3)C2)cc1 840976813 GKDSMMKZHVIADG-KRWDZBQOSA-N 313.420 3.260 10 10 DGCE C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)Nc1ccc(N)cc1 841297305 DTVWDEPBKNOUMZ-SJKOYZFVSA-N 311.385 3.125 10 10 DGCE CC1=C[C@@H](C)CN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])C1 844218855 RZKCGJPJBJNCFX-VLWUPBBWSA-N 302.330 3.095 10 10 DGCE COc1ccc(O)c(CNCC[C@H]2CCc3ccccc3N2)c1 844912365 SPGAVPHSLIUFFY-MRXNPFEDSA-N 312.413 3.307 10 10 DGCE CCc1cnc(CCN[C@H](C)c2cccc(OC)c2O)s1 846149424 ZHJVYDZSBRPSTH-LLVKDONJSA-N 306.431 3.313 10 10 DGCE C/C(=C/c1cccnc1)C(=O)N1C[C@@H](N(C)C)Cc2ccccc21 846864816 DXNFXYFQQPGZMQ-RXBGNRNISA-N 321.424 3.004 10 10 DGCE Fc1cc(CN[C@@H]2CCCC23CC3)cc(F)c1N1CCOCC1 850475417 XSEVZELHKYEFQC-MRXNPFEDSA-N 322.399 3.224 10 10 DGCE Cc1cc(CC(=O)OCc2ccn(C)n2)c(C)n1-c1ccccc1 853113869 HIMAOWVPCXLWLJ-UHFFFAOYSA-N 323.396 3.114 10 10 DGCE CCOC(=O)c1cc(CN[C@H](C)c2c(C)cc(C)cc2O)on1 866515253 FBIJGDUUJZESKT-GFCCVEGCSA-N 318.373 3.025 10 10 DGCE CCOc1ccc(O)c(CN2CCC(CC)(N3CCC3)CC2)c1 895827657 OFCCRVZMNBFAHH-UHFFFAOYSA-N 318.461 3.241 10 10 DGCE COC(C)(C)[C@@H](C)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 903331828 NZQVYTYMWLVZJM-UONOGXRCSA-N 324.440 3.126 10 10 DGCE CC(C)=CC[C@H]1NC(=O)N([C@H](C)c2ccc(N(C)C)cc2)C1=O 924714393 BZAQIZVVUHTPRZ-CZUORRHYSA-N 315.417 3.090 10 10 DGCE C[C@H](NCC[C@@H]1CNC[C@H]1C)c1cccc(C(F)(F)F)c1O 925803571 RGZDDXORFROSGP-GRYCIOLGSA-N 316.367 3.307 10 10 DGCE Cc1c(C(=O)NCc2c(O)cccc2F)cnn1CCC(C)C 928704576 COVFXKXLDORTLW-UHFFFAOYSA-N 319.380 3.012 10 10 DGCE CC(C)C(C)(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 1134883236 ZLCYWWPYKTVTKS-QGZVFWFLSA-N 319.493 3.154 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H](C)C(F)F 1161304415 SNNCVVCXWGXOLC-LLVKDONJSA-N 320.339 3.290 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@H]1CC12CCC2 1248470977 FPFGUSQHWNOBGD-KRWDZBQOSA-N 313.445 3.371 10 10 DGCE Cc1ccc(O)c(CNC(=O)CCOc2cccc(Cl)c2)c1 1301046710 ICZSQLZCFUETKW-UHFFFAOYSA-N 319.788 3.439 10 10 DGCE Oc1ccc(O)c(CNc2ncnc3sc4c(c23)CCC4)c1 1307200488 AWMBZAPJGSVWPI-UHFFFAOYSA-N 313.382 3.203 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCN(C(C)(C)C)CC2)cc1 1326637465 PIPDJGNFHWMWKQ-VOTSOKGWSA-N 301.478 3.182 10 10 DGCE C[C@@]1(C2CC2)CN(Cc2ccc(N3CCCC3)cc2)CCO1 1350592647 BBMJQWWLBVHSKH-IBGZPJMESA-N 300.446 3.288 10 10 DGCE CO[C@@H]1CCC[C@H]1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1356267181 NMLCENKTTDDLSD-QZTJIDSGSA-N 316.445 3.060 10 10 DGCE O=C(NCC[C@@H]1CC[C@H]2C[C@@H]12)c1cc2cc(O)c(O)cc2s1 1455845385 AFJCYCSINDXFFG-NHCYSSNCSA-N 317.410 3.479 10 10 DGCE Fc1cc(CN2CC[C@@H]3CCCC[C@H]32)ccc1N1CCOCC1 1615629086 CLSZLDCXKNSBRG-FUHWJXTLSA-N 318.436 3.427 10 10 DGCE CC(C)(CNC(=O)c1cccc(O)c1O)c1cccc(Cl)c1 1625908602 XVTDTIJULXSSDE-UHFFFAOYSA-N 319.788 3.459 10 10 DGCE COc1ccc(CNC[C@@]2(NC(C)=O)CCCC[C@H]2C)cc1C 1666043238 KBNRVCAYORXKFN-BEFAXECRSA-N 318.461 3.178 10 10 DGCE O=C([C@H]1CCCO1)N1CCn2c3c(c4ccccc42)CCC[C@H]31 1858183673 UCQZYRSJHUAPND-IAGOWNOFSA-N 310.397 3.040 10 10 DGCE CC1=NN(c2ccccn2)C(=O)/C1=C/c1c[nH]c2ccccc12 1865672893 MMSWZLGOHCUTNS-XNTDXEJSSA-N 302.337 3.369 10 10 DGCE [N-]=[N+]=N[C@@H]1CCN(C(=O)COc2cc(Cl)ccc2Cl)C1 1912200743 KUQGCNHRLSUXIV-SECBINFHSA-N 315.160 3.283 10 10 DGCE COc1cccc(Br)c1[C@H](N)c1ccccc1O 1913189233 YNXXULPZXVXKAQ-CQSZACIVSA-N 308.175 3.211 10 10 DGCE CCN[C@H](c1ccccc1O)[C@H]1C[C@@H]1CNC(=O)OC(C)(C)C 1936974964 OZOXWFQMIDUWHM-IVMMDQJWSA-N 320.433 3.204 10 10 DGCE C[C@@H](NCc1cccc(Br)c1O)[C@@H]1CCSC1 1942256185 YMHJZDQZYDOQMV-MWLCHTKSSA-N 316.264 3.386 10 10 DGCE CNCc1ccc(N(C)CCC(F)F)cc1Br 1947496695 VEKYVQCYALELNQ-UHFFFAOYSA-N 307.182 3.260 10 10 DGCE COc1ccc([C@@H](CO)N=[N+]=[N-])cc1NC(=O)OC(C)(C)C 1951355696 GHLLHGPEQKDWQT-LLVKDONJSA-N 308.338 3.386 10 10 DGCE CC(C)(C)OC(=O)N1CC(=O)C[C@H]1c1cc(Cl)ccc1O 1951966243 FSSPIPLPFRDAAP-LBPRGKRZSA-N 311.765 3.297 10 10 DGCE CC(C)(C)OC(=O)N[C@@]1(C)CCCN(Cc2ccc(N)cc2)C1 1977917280 BYJBSHXSVQRISK-SFHVURJKSA-N 319.449 3.148 10 10 DGCE CCN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2ccc(N)cc2)C1 1977934284 ORKPCNIDSKEEFX-MRXNPFEDSA-N 319.449 3.495 10 10 DGCE C[C@@H]1C[C@@](N)(c2ccc(N(C)C)cc2)CN1Cc1ccccc1 1977956889 BGNYZNRSNUFZKR-UZLBHIALSA-N 309.457 3.201 10 10 DGCE C[C@]1(C(F)F)C[C@H]1NCc1cccc(Br)c1O 2008230651 PIXPEXUCPNDLKV-SKDRFNHKSA-N 306.150 3.288 10 10 DGCE CN(Cc1cccc(Br)c1O)C1(C)CCOCC1 2054618578 DTNKHCLHOCSKOK-UHFFFAOYSA-N 314.223 3.156 10 10 DGCE CO[C@@H]1C[C@@H](C)CN(Cc2ccc(Br)cc2O)C1 2085081261 OSRSGRJCYJNPRW-ZWNOBZJWSA-N 314.223 3.012 10 10 DGCE COc1cccc(CNCc2snc(Cl)c2Cl)c1O 2110925007 VDGNDGGYNQLREQ-UHFFFAOYSA-N 319.213 3.454 10 10 DGCE C[C@H]1c2cccn2CCN1c1ccc(CO)c(Br)c1 2114549907 VYIYQWOAWOBXOS-NSHDSACASA-N 321.218 3.324 10 10 DGCE CCCN[C@]1(C(=O)O)C[C@@H](Sc2nccs2)CC[C@H]1C 2175746042 LKZMRRYFHCDXLQ-UHIISALHSA-N 314.476 3.247 10 10 DGCE C[C@H](CO)N(Cc1ccccc1)c1ccc2c(c1)OC(F)(F)O2 2210829168 IWVKXMLUKJBVJA-GFCCVEGCSA-N 321.323 3.396 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)c1ccnc(Cl)c1Cl 2225802537 ZLPVLQNSIJNISJ-HTQZYQBOSA-N 300.149 3.350 10 10 DGCE F[C@@H]1CN(c2ccc(CNC3CCC3)c(Cl)c2)C[C@H]1F 2240035337 KZMXOFREYIABRC-HUUCEWRRSA-N 300.780 3.478 10 10 DGCE CSc1ncc(CNc2ncccc2P(C)(C)=O)s1 2270622801 CGAHIKCMQSTSCH-UHFFFAOYSA-N 313.388 3.120 10 10 DGCE Cc1sc2nc3n(c(=O)c2c1C)CCC3=Cc1cncs1 2301064282 MOPDLHDABGLBMR-UHFFFAOYSA-N 315.423 3.476 10 10 DGCE Cc1ccc(CNC2CCSCC2)c(O)c1Br 2307477088 INVUVDJWQWOCDJ-UHFFFAOYSA-N 316.264 3.448 10 10 DGCE C[C@@H](c1cccs1)N(C)C(=O)C=Cc1ccc(O)c(O)c1 2307986342 PEPOGYSJZVFRFP-NSHDSACASA-N 303.383 3.392 10 10 DGCE Oc1c(Br)cccc1CN[C@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21 2309579140 STXFJXPGWGOLOX-SSKLVLDBSA-N 308.219 3.289 10 10 DGCE NC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(O)cc1)N2 13636714 BREQWFTZQOFGJT-HDMKZQKVSA-N 306.365 3.318 10 10 DGCE CN[C@@H](c1ccc2c(c1)CCCN2C)c1nc(C)c(C)s1 50287835 REIGRYSEYIEULR-INIZCTEOSA-N 301.459 3.451 10 10 DGCE O=C(O)[C@H]1c2ccsc2CCN1Cc1cc(Cl)ccc1O 86808211 UPWSAVPDEUFCTB-CQSZACIVSA-N 323.801 3.291 10 10 DGCE O=C(O)[C@@H]1c2ccsc2CCN1Cc1cc(Cl)ccc1O 86808214 UPWSAVPDEUFCTB-AWEZNQCLSA-N 323.801 3.291 10 10 DGCE CCCN[C@@]1(CO)CCC[C@H]1CCSc1nccs1 93623198 YTZRENNGYXXIKI-GXTWGEPZSA-N 300.493 3.156 10 10 DGCE CC(C)NCc1ccc(N2CCn3ccnc3C2)c(Cl)c1 164060919 BITXCFDTMGPXCU-UHFFFAOYSA-N 304.825 3.055 10 10 DGCE CC[C@H](C)NC(=O)CN(c1ccc(OC)cc1)[C@@H](C)C1CC1 171937942 QYGFYRUEDSGUDW-KBPBESRZSA-N 304.434 3.215 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1C[C@H]2OCCC[C@H]12 190335091 GGGNWXUOEOIBQP-RAIGVLPGSA-N 302.201 3.356 10 10 DGCE Cc1cccc(NC2=NC(=O)/C(=C/c3cc(C#N)n(C)c3)S2)c1 191218241 XVSBIRGCJPEBFP-NVNXTCNLSA-N 322.393 3.288 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCCC1(C)C 194470304 CLIZGMVCXMGZAY-GXTWGEPZSA-N 305.418 3.361 10 10 DGCE Cc1c(Br)cccc1NC(=O)c1ccc(O)c(O)c1 227025158 ZJKAKJSRIVPNQR-UHFFFAOYSA-N 322.158 3.421 10 10 DGCE C[C@H](N)c1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1Br 235514209 PVYHCRPVNPCIAE-MXWKQRLJSA-N 313.239 3.082 10 10 DGCE CCN[C@H]1CCN(c2cc(Cl)c(OC)cc2OC)C[C@H]1C 250771482 ZLPYZPINANEQDW-YPMHNXCESA-N 312.841 3.182 10 10 DGCE Cc1ccc(S(=O)(=O)Nc2ccc(N=NN(C)C)cc2)cc1 252620673 MJMWPMNETSKBEQ-UHFFFAOYSA-N 318.402 3.356 10 10 DGCE CC1=NN(c2ccccc2C(=O)O)C(=O)[C@@H]1N=Nc1ccccc1 252622938 OGFXKWDLRDEHMI-OAHLLOKOSA-N 322.324 3.260 10 10 DGCE CSC[C@H](C)N(C)c1c(F)cc(/C=C\C(=O)O)cc1F 312160349 FLRKPHCCWVMEOC-WBSSQXGSSA-N 301.358 3.250 10 10 DGCE C[C@@H]1CCC[C@H](S(=O)(=O)Nc2ccc(O)c(Cl)c2)C1 407338713 VHZIWUOVMUWCAQ-KOLCDFICSA-N 303.811 3.366 10 10 DGCE O=C(/C=C\c1cnccn1)N1CCSc2ccc(Cl)cc21 491150874 ITQYRZOEOLORCR-RQOWECAXSA-N 317.801 3.282 10 10 DGCE O=C(NCc1ccccc1O)[C@@H]1[C@H]2Cc3c(Cl)cccc3[C@@H]21 528855193 PLEQQKJPYPKTKR-RRQGHBQHSA-N 313.784 3.248 10 10 DGCE CC[C@H](c1c(F)ccc(Br)c1O)N1CCOCC1 575301880 FPLSGPVBVOBSGC-LLVKDONJSA-N 318.186 3.077 10 10 DGCE CC[C@@H](NCc1ccc(Br)cc1O)c1ncc[nH]1 691456832 WFQRZLAAPGDFAI-LLVKDONJSA-N 310.195 3.119 10 10 DGCE CC(C)[C@H]1C[C@H](NCc2ccc(Br)cc2O)CO1 691467258 NHVNPHUTSALKKP-GXTWGEPZSA-N 314.223 3.058 10 10 DGCE CC[C@H](Nc1cnn(C)c1Br)c1ccccc1O 703389866 ALJHUHIMGUADDN-JTQLQIEISA-N 310.195 3.451 10 10 DGCE CC(C)[C@H]1CN(c2ccc(CN)cc2)CCN1Cc1ccccc1 704783858 NQHPZJZTJZZTPG-OAQYLSRUSA-N 323.484 3.492 10 10 DGCE CCSC[C@H](C)N(C)c1ccc(CN)c(Br)c1 706379728 ACVFPEIQXPGXDB-JTQLQIEISA-N 317.296 3.486 10 10 DGCE CN(C[C@H]1CCCS1)c1ccc(CO)c(Br)c1 718347476 AAAGPDIOFAWNED-GFCCVEGCSA-N 316.264 3.273 10 10 DGCE CCOC[C@H](C)N[C@@H](C)c1cc(Br)c(F)cc1O 779075289 XPYHOLQMOVCGAA-IUCAKERBSA-N 320.202 3.369 10 10 DGCE C/C(=C\C(=O)NCc1cc(Br)ccc1O)C1CC1 804735695 DHVPLQVIZUTZMK-RMKNXTFCSA-N 310.191 3.127 10 10 DGCE Cc1cc(CN2CCN(c3cnccc3C)CC2)ccc1N(C)C 815108411 WCIQXQXFPPYPBG-UHFFFAOYSA-N 324.472 3.087 10 10 DGCE CO[C@@H]1CCCC[C@H]1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 816180106 FTDKIHATECDHLD-IAOVAPTHSA-N 304.434 3.135 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2CC23CC3)cc1 823857490 CBCJYAPOZZJELN-INIZCTEOSA-N 301.434 3.227 10 10 DGCE CCOc1ccc(O)c(CNC[C@](C)(OC)c2ccccc2)c1 824780179 HFBJMPHEKSHDLV-IBGZPJMESA-N 315.413 3.442 10 10 DGCE Cc1ccc([C@@H](O)CNC/C=C\c2ccc(N(C)C)cc2)cc1 835034674 CKZWVTRRPUIWFA-FBQMEGEOSA-N 310.441 3.397 10 10 DGCE CC[C@H](C)N1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 835053886 FUMNILFRTTUJTH-TUYSUELWSA-N 301.478 3.182 10 10 DGCE C/C(=C/c1ccccn1)C(=O)NCc1ccc(N(C)C)cc1C 846876649 WGQSIHJSDJRTLA-PTNGSMBKSA-N 309.413 3.176 10 10 DGCE C[C@]1(CNCc2cc(F)ccc2O)OCCc2ccccc21 895639819 PBTODFUYKGVVBN-GOSISDBHSA-N 301.361 3.109 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)NCC[C@@H]1CCCC1(F)F 914417947 YCBHWUCKZJFMGI-FUEXJSSKSA-N 311.328 3.053 10 10 DGCE CCN(CC)c1ccc(CNCc2ccnc(O)c2)cc1F 921718674 ZOLBNKDCCMEAFO-UHFFFAOYSA-N 303.381 3.062 10 10 DGCE c1cc2c(cc1CN[C@@H](C1CC1)[C@@H]1CCCOC1)CCCO2 922901292 OREUFKNAEMPLKF-MJGOQNOKSA-N 301.430 3.306 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)NCCC1(c2ccccc2)CC1 927544005 CMEPCDCMKFLRRC-CLFYSBASSA-N 323.392 3.349 10 10 DGCE C[C@@H](NC(=O)c1cnn2cccc(Cl)c12)c1ccccc1O 1471195401 HCOCLOAHALGZLL-SNVBAGLBSA-N 315.760 3.184 10 10 DGCE Cc1cc(COC(=O)c2ccc(-n3c(C)ccc3C)cc2)n(C)n1 1527654943 DKRZOGRTDXKPFL-UHFFFAOYSA-N 323.396 3.493 10 10 DGCE COc1cccc2[nH]c(C(=O)N[C@H](C)c3ccccc3O)cc12 1557967465 DEJNEEKOGGFJAH-LLVKDONJSA-N 310.353 3.373 10 10 DGCE CC[C@@H](NC(=O)c1c(F)ccc(O)c1O)c1ccccc1OC 1559026632 RRJKQFKPWUQMRJ-GFCCVEGCSA-N 319.332 3.127 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2CC[C@H](O)c1ccccc1 1645147215 BVTYVVLCCHJBAD-SFHVURJKSA-N 312.413 3.075 10 10 DGCE O=C(NCc1c(O)cccc1O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 1652629088 WDYJZYSEAOZXBM-ZIAGYGMSSA-N 315.344 3.047 10 10 DGCE CC/C=C(/C)C(=O)N[C@H](C)CCNCc1ccc(OC)c(C)c1 1667994570 UOOFZFHEBPXNAK-ACQAZONXSA-N 318.461 3.344 10 10 DGCE COc1ccc(CNCC[C@@H](C)NC(=O)[C@H](C)C2CC2)cc1C 1668015042 DWQCRWWZSZCTPG-HUUCEWRRSA-N 318.461 3.034 10 10 DGCE CCc1c(OCc2ccc(N)cc2)c(=O)ccn1Cc1ccco1 1857913241 ADEUDRLSPJQEMF-UHFFFAOYSA-N 324.380 3.213 10 10 DGCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc[nH]1 1866116925 PSSJQEBVKTWNDH-UHFFFAOYSA-N 316.316 3.042 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H]2C[C@]1(COc1ccc(N)cc1)C2 1900080639 YLACFWRJNKSORB-QGGXVJLZSA-N 318.417 3.437 10 10 DGCE Cc1cc(Br)ccc1C(=O)N1CC[C@H](N=[N+]=[N-])C1 1912191415 RIPRIIMTWAUZKJ-JTQLQIEISA-N 309.167 3.282 10 10 DGCE C[C@H](CCO)N(Cc1ccccc1)c1ccc(CO)cc1F 1915075126 AMGYOJLKIAUKLD-CQSZACIVSA-N 303.377 3.096 10 10 DGCE CCCNCc1ccc(N(C)CCF)cc1Br 1916511890 YLRYALXPJUAXDJ-UHFFFAOYSA-N 303.219 3.354 10 10 DGCE CCN(C[C@H](C)[C@@H](N)c1ccccc1O)C(=O)OC(C)(C)C 1928469112 DQOFBSVWUDFNBB-SWLSCSKDSA-N 308.422 3.285 10 10 DGCE CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H](NC)c1ccccc1O 1928480284 GSANMMLPHYGREJ-IUODEOHRSA-N 308.422 3.298 10 10 DGCE CC(C)(C)OC(=O)N1C2CCC1([C@@H](N)c1ccccc1O)CC2 1936986833 MNAPEFGAYIKTQQ-KVIBHRHWSA-N 318.417 3.324 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H](F)[C@@H]1c1cccc(N)c1O 1953074344 VNMBHZVMTGBCFI-YPMHNXCESA-N 310.369 3.385 10 10 DGCE CN(CCN=[N+]=[N-])C1CCC(N(C)C(=O)OC(C)(C)C)CC1 1962298569 GWCIEZUCNDVNEN-UHFFFAOYSA-N 311.430 3.407 10 10 DGCE CCCn1nccc1CNCc1c(O)cccc1Br 1964608445 YNFIRHTXXSXCSR-UHFFFAOYSA-N 324.222 3.051 10 10 DGCE Cc1cc(OCc2ccccc2)ccc1N1C[C@@H]2C[C@H](CN2)C1 1976838695 NAYZDAJRKLXJCY-MSOLQXFVSA-N 308.425 3.372 10 10 DGCE CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CN(CCCCN=[N+]=[N-])C2 1993492562 ZKNZXACLQFZADY-CZUORRHYSA-N 323.441 3.314 10 10 DGCE CN1CCCc2cc(CN(Cc3ccccc3)C3CNC3)ccc21 1997642044 VKWWWBUORHIWCC-UHFFFAOYSA-N 321.468 3.043 10 10 DGCE CC(C)Cc1cc(C(=O)O)n(Cc2ccc(Cl)cc2O)n1 2069892256 IWGMSOIDWRLTCW-UHFFFAOYSA-N 308.765 3.187 10 10 DGCE CNCc1ccc(N(C)C[C@]2(F)C[C@@H]2C)c(Br)c1 2085441473 YFDDCZUTKSRQDY-IINYFYTJSA-N 315.230 3.353 10 10 DGCE Cc1ccc(Br)c([C@@H](O)c2ccc(N(C)C)cc2)n1 2112728228 JUGULEVHELBFAV-HNNXBMFYSA-N 321.218 3.300 10 10 DGCE CCCN[C@]1(CO)CC[C@@H](Sc2nccs2)[C@H]1CC 2122615121 UHPXZMZGQMMBEO-BZPMIXESSA-N 300.493 3.155 10 10 DGCE CO[C@H]1CCCC[C@H]1N(C)c1cc(Cl)c(CN)cc1F 2177381092 JCILDYZDJFPDNF-HIFRSBDPSA-N 300.805 3.332 10 10 DGCE C[C@H]1C[C@H](N(C)c2cc(Cl)c(CN)cc2F)C[C@@H](C)O1 2177383838 RMGKWOTUAIQEPO-PEGIJTEDSA-N 300.805 3.330 10 10 DGCE C[C@H](N)c1ccc(N(CC(F)(F)F)C2COC2)c(Cl)c1 2196630105 FLLPGTXYJBYCHT-QMMMGPOBSA-N 308.731 3.127 10 10 DGCE CNCc1ccc(N2CC[C@@H]3C[C@]3(F)C2)c(Br)c1 2222695162 WALSSZDQBJPWGV-RISCZKNCSA-N 313.214 3.107 10 10 DGCE Oc1c(Cl)cccc1CNC[C@H]1OCC[C@H]1C(F)(F)F 2240537411 SVPTYFYEQAJFOP-MWLCHTKSSA-N 309.715 3.103 10 10 DGCE CO[C@@H](CSc1ncc(CCN)s1)C1CCCCC1 2268661779 AMJZGIHOIABLEE-ZDUSSCGKSA-N 300.493 3.332 10 10 DGCE COc1ccc(O)c(CNC(=O)C=Cc2c(F)cccc2F)c1 2301549744 OJDDHBKYTMUOIJ-UHFFFAOYSA-N 319.307 3.009 10 10 DGCE COC(=O)Cc1nc2cccc(C)n2c1N=Nc1ccc(O)cc1 2320771606 QZWPUPAJJSIPEA-UHFFFAOYSA-N 324.340 3.479 10 10 DGCE COc1ccc(Br)c(CN[C@@H]2C[C@@H]3C=C[C@H]2C3)c1O 2333718890 IBKRRMFJTVUUNR-GBIKHYSHSA-N 324.218 3.218 10 10 DGCE COc1cc(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])sc1Cl 2340263594 KBMQWKFECPSCGT-RQJHMYQMSA-N 300.771 3.371 10 10 DGCE COc1cc(OC)c(N2CC[C@H](CNC(C)C)C2)cc1Cl 53011396 GYJKKCGYKZAFFE-GFCCVEGCSA-N 312.841 3.182 10 10 DGCE CC[C@@H](C)CN(C)c1c(F)cc(CNCCOC)cc1F 62735491 IMQUEYLBLHSMRA-GFCCVEGCSA-N 300.393 3.183 10 10 DGCE C[C@H](NC[C@@H](C)N(C)C(=O)OC(C)(C)C)c1c(O)cccc1O 304358855 YGTBHGBIMCNJTD-NEPJUHHUSA-N 324.421 3.004 10 10 DGCE CC[C@H](c1cc(Br)ccc1O)N1CCC[C@@H]1CN 131364437 BXNIIPLYTYLNRQ-DGCLKSJQSA-N 313.239 3.029 10 10 DGCE Cc1cc(C(=O)NCC2CCOCC2)c(C)n1-c1ccccc1 194973671 USGTXVRNFOVBPW-UHFFFAOYSA-N 312.413 3.251 10 10 DGCE CCC[C@H](N)[C@@H](N)c1ccc(OCc2ccccc2)cc1O 95843276 FSBTUYWHRBUBMP-WMZOPIPTSA-N 300.402 3.098 10 10 DGCE Cc1cc(Cl)cc(CNC[C@@](C)(O)c2cccs2)c1O 271767462 APUKWNREWNPSHX-OAHLLOKOSA-N 311.834 3.413 10 10 DGCE COc1ccc(C[C@@H](C)NCc2cccc(OC)c2O)cc1 289181681 AORHUJSYNMAYDZ-CYBMUJFWSA-N 301.386 3.130 10 10 DGCE CN(CCc1nccs1)Cc1cc(Cl)c(F)cc1O 294105607 FKNXOVQQGISEPL-UHFFFAOYSA-N 300.786 3.316 10 10 DGCE C[C@H](c1c(Cl)ccc(Br)c1O)N1CCOCC1 575302123 HMYLZWVJOSCKQX-MRVPVSSYSA-N 320.614 3.201 10 10 DGCE Oc1ccc(Cl)cc1CN1CCC[C@H](NCc2ccoc2)C1 733334117 ATJSMUWZDUCQPW-INIZCTEOSA-N 320.820 3.393 10 10 DGCE C[C@@H]1CN(CCN=[N+]=[N-])C[C@@H](C)N1C(=O)OCc1ccccc1 1954206960 ODDZPRHDRAWSCF-ZIAGYGMSSA-N 317.393 3.028 10 10 DGCE C[C@@H](N[C@@H]1CCn2ccnc21)c1cc(Br)ccc1O 834831383 JJIHYLOAUDEJNQ-BXKDBHETSA-N 322.206 3.147 10 10 DGCE COc1cc(O)c(CN2CCC[C@]3(C2)CC3(F)F)cc1OC 844751537 URRYGCUVIUXBLL-OAHLLOKOSA-N 313.344 3.031 10 10 DGCE O=C(NCc1c(O)cccc1F)c1conc1C1CCCC1 928709623 KEFDKCVGSPCUBW-UHFFFAOYSA-N 304.321 3.107 10 10 DGCE C[C@@H]1CCC[C@H](CCNC(=O)/C=C\c2ccc(O)c(O)c2)C1 779517632 CGEAABCNJQCRLH-JFDUVMPXSA-N 303.402 3.444 10 10 DGCE CCOC[C@H](C)N[C@@H](C)c1cc(Br)cc(F)c1O 779070975 CEBKWMTYPAIVBE-IUCAKERBSA-N 320.202 3.369 10 10 DGCE C[C@@H](c1ccccc1O)N(C)Cc1cnn(C)c1Br 1877525428 SDBQJFXZRDYOKM-JTQLQIEISA-N 324.222 3.081 10 10 DGCE CNC(=O)C[C@H](NCc1cccc(Cl)c1O)c1ccccc1 796035998 FKHBXJQUAXGFMU-HNNXBMFYSA-N 318.804 3.013 10 10 DGCE CC[C@H](NCCCC(=O)O)c1cc(Br)ccc1O 37418356 ONMLUPGSEYQPRP-NSHDSACASA-N 316.195 3.060 10 10 DGCE C[C@@H]1CCC[C@@H](CNC(=O)NCc2c(O)cccc2F)[C@@H]1C 1227439344 WCORREYKDUBYEN-UPJWGTAASA-N 308.397 3.403 10 10 DGCE CC(C)[C@@H]1CN(c2ccc(CN)cc2)CCN1Cc1ccccc1 704783853 NQHPZJZTJZZTPG-NRFANRHFSA-N 323.484 3.492 10 10 DGCE C[C@@H](NC(=O)NC1CC2(C1)CC2(F)F)c1ccc(N(C)C)cc1 1327896233 BSWMLDDYEITSSI-FFKNIBCLSA-N 323.387 3.301 10 10 DGCE COC(=O)[C@]1(NC(C)C)CCC[C@H](Sc2nccs2)C1 93778661 XLXOISISKDTXGQ-FZMZJTMJSA-N 314.476 3.088 10 10 DGCE C[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)C2(CCC2)CO1 1346165582 KCVZTWGYUXEGHW-MRXNPFEDSA-N 300.446 3.430 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(Cl)nc2F)c1 1445968690 MWEYCJAJBFHCRA-MRVPVSSYSA-N 324.739 3.079 10 10 DGCE O=C(c1cc(Cl)ncc1Cl)N1Cc2cccc(O)c2C1 1455035734 BWHUCIZVYYMNDG-UHFFFAOYSA-N 309.152 3.250 10 10 DGCE CN(c1ccc(CN)cc1Br)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@@H]12 2116355281 MKPIZOQEQWIEHZ-XRMRDTNMSA-N 321.262 3.389 10 10 DGCE CCNc1cc(C)ccc1NC(=O)Cc1ccc(O)c(O)c1 1611568460 DUHSINNAZIFEPI-UHFFFAOYSA-N 300.358 3.019 10 10 DGCE Cc1ccc(O)c(CNC(=O)NC[C@@H]2CC3CCC2CC3)c1 1478863542 ACOJYPLACLTLMF-NRXISQOPSA-N 302.418 3.326 10 10 DGCE CN(Cc1ccccc1O)C(=O)c1ccc(F)c2cccnc12 1622317731 WITCMVITTDHRGU-UHFFFAOYSA-N 310.328 3.352 10 10 DGCE O=C(c1ccccc1OC(F)F)N1Cc2cccc(O)c2C1 1558035808 MRPUYAXBQHSNCL-UHFFFAOYSA-N 305.280 3.150 10 10 DGCE CN(Cc1ccccc1O)C(=O)c1ncccc1-c1ccccn1 1635658432 VRANBCPRFKILDY-UHFFFAOYSA-N 319.364 3.121 10 10 DGCE COc1ccc(N(CC[C@@H](C)O)Cc2ccccc2)cc1OC 1655149147 YQWIOWXHRFLMAW-OAHLLOKOSA-N 315.413 3.481 10 10 DGCE COCCNCc1ccc(N2C[C@H]3CCC[C@@H]3C2)c(Cl)c1 158253667 NFMAFZHSCKEFFW-HUUCEWRRSA-N 308.853 3.312 10 10 DGCE COc1ccc([N+](=O)[O-])cc1/N=N/N(C)CCc1ccncc1 1860483683 DQWIMHLXDNKGRZ-ISLYRVAYSA-N 315.333 3.172 10 10 DGCE CCOC(=O)[C@@](C)(CSC(C)(C)C)NCCCN=[N+]=[N-] 1912174502 AAOJBXUEKKSTCJ-CYBMUJFWSA-N 302.444 3.130 10 10 DGCE CC(C)(C)OC(=O)NC[C@]12C[C@H](CCN1CCCCN=[N+]=[N-])C2 1901869817 HFLSSLLLDHPEFV-AKAXFMLLSA-N 323.441 3.456 10 10 DGCE Oc1ccc(Br)cc1CN[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21 1917459676 RNOJMAXUNVQNNH-BCTPILQISA-N 308.219 3.289 10 10 DGCE CCC1([C@@H](NC)c2ccccc2O)CN(C(=O)OC(C)(C)C)C1 1936985941 BMVSRSMZLQSJPU-HNNXBMFYSA-N 320.433 3.300 10 10 DGCE Cc1cccc(O)c1CNC[C@@H]1CCCN1Cc1ccccc1 1976876862 GDFOPDZAJVDUQU-SFHVURJKSA-N 310.441 3.455 10 10 DGCE CC(C)(C)OC(=O)N1CC2(CC(CNc3ccc(N)cc3)C2)C1 1983751236 IQUBEPNJTBGTCV-UHFFFAOYSA-N 317.433 3.328 10 10 DGCE Cc1ccc(CNCC(C)(C)CNC(=O)OC(C)(C)C)c(O)c1 1994456455 MIPXIVHPOYRVSF-UHFFFAOYSA-N 322.449 3.341 10 10 DGCE Nc1ccc(CNC(=O)c2cc(Br)cs2)cc1 2004901807 DFLBSJWDPBLLCL-UHFFFAOYSA-N 311.204 3.023 10 10 DGCE O=C1N=C(N2CCCCC2)SC1=Cc1cc(F)ccc1F 2041765381 LRAQAMZVFZGYFL-UHFFFAOYSA-N 308.353 3.421 10 10 DGCE Cc1nc2[nH]c(Cc3ccc(N)cc3)nc2cc1Br 404724316 WQCIOLKNRNWHIQ-UHFFFAOYSA-N 317.190 3.202 10 10 DGCE CN[C@@H](C)c1ccc(N2CCO[C@H](CCF)C2)c(Cl)c1 700574611 ISGZFOFDTYYUDP-WCQYABFASA-N 300.805 3.185 10 10 DGCE CNCc1cc(CC(C)C)nn1Cc1cc(Cl)ccc1O 2070080995 OUWJWBNOUYBEIS-UHFFFAOYSA-N 307.825 3.208 10 10 DGCE Cc1c(C2CC2)nn(-c2ccc(O)c(O)c2)c1Br 2079772203 LBYPQUHTRRAVIP-UHFFFAOYSA-N 309.163 3.232 10 10 DGCE Oc1cccc(Br)c1CNC[C@H]1C[C@@H]1C(F)(F)F 2041780212 OKTYTTROKFOOPI-APPZFPTMSA-N 324.140 3.443 10 10 DGCE CC(F)(F)[C@H]1CCN(c2ccc(CO)cc2Br)C1 2042059792 PXNLVNWDNNMSOZ-JTQLQIEISA-N 320.177 3.423 10 10 DGCE C[C@@H]1CCOCC[C@@H]1NCc1c(O)cccc1Br 2046725556 KZBGEUJFPUYFMX-MFKMUULPSA-N 314.223 3.059 10 10 DGCE CC[C@@]12C[C@@H]1CN(c1ccc(CNC)cc1Br)C2 2048615002 VTBGQMKQDQXGMM-DOMZBBRYSA-N 309.251 3.405 10 10 DGCE COc1ccc([C@@H](C)N[C@@H]2CCC=C2Br)c(O)c1 2076080051 UVSPXHJCECAVPL-NOZJJQNGSA-N 312.207 3.493 10 10 DGCE CN[C@@H](c1ccccc1O)c1ncc(C)cc1Br 2078742335 XYGCUAFYVYAPCA-ZDUSSCGKSA-N 307.191 3.167 10 10 DGCE COc1cc(N2CCC(Br)=C(C)C2)ccc1CO 2084018427 ZAEIPSRLMHOBQO-UHFFFAOYSA-N 312.207 3.067 10 10 DGCE COc1cccc(O)c1CNc1cc(C)cnc1Br 2104442707 OWIYODGNRXOJST-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)c2ncc(Cl)cc2Cl)C1 2107113233 CFYONJGMPVPDHX-ZETCQYMHSA-N 300.149 3.161 10 10 DGCE C[C@@H](NCCc1cc(Br)no1)c1ccccc1O 2221473874 XLCSOEWOMFOIGJ-SECBINFHSA-N 311.179 3.036 10 10 DGCE CN(C(=O)C=Cc1cnn(-c2ccccc2)c1)c1ncccc1F 2302232154 YUEYNSVNBPXIPE-UHFFFAOYSA-N 322.343 3.083 10 10 DGCE Cc1ncsc1C=CC(=O)N1CCCc2cccc(O)c21 2310139775 HZNGIUKQEJULGI-UHFFFAOYSA-N 300.383 3.150 10 10 DGCE Cc1ccccc1C=C1SC(=S)N(C(C)(C)C(=O)O)C1=O 2323870609 KFJSBCSWCUSYDM-UHFFFAOYSA-N 321.423 3.059 10 10 DGCE CCOC(=O)C1CCN(N=Nc2ccc(C(C)=O)cc2)CC1 2330156120 YQSZKQWMVZODJP-UHFFFAOYSA-N 303.362 3.163 10 10 DGCE CC[C@H](N)Cc1cnc(SC[C@]2(C)CCCOC2)s1 2344937246 NTHNFUAAEGWPPY-SMDDNHRTSA-N 300.493 3.332 10 10 DGCE CN(C)c1ccc(/C=C2\CNCc3c2n[nH]c3C(F)(F)F)cc1 43464057 JBUOZVCPNLVBEN-YRNVUSSQSA-N 322.334 3.138 10 10 DGCE COCCNCc1ccc(N(C)Cc2cccs2)cc1C 62735731 LIABQIZNLQSCHP-UHFFFAOYSA-N 304.459 3.429 10 10 DGCE Cc1cc(O)c(CN2CC[C@H](CNc3ccccn3)C2)cc1C 92812592 KDHAAWHBBKUDPN-MRXNPFEDSA-N 311.429 3.338 10 10 DGCE C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@@H](C)N1C 141903202 PNQIGIDECXNPLX-NXEZZACHSA-N 303.233 3.223 10 10 DGCE CCN(Cc1cc(Cl)cc(Cl)c1O)C[C@H]1CCCN1 233466485 ZIJZDNSFKFOHSM-GFCCVEGCSA-N 303.233 3.273 10 10 DGCE CN[C@H](C)c1ccc(N(C)[C@@H](C)COC)cc1Br 234461744 AIALEUCIHSIKMI-WDEREUQCSA-N 315.255 3.201 10 10 DGCE C[C@H](NC[C@H](O)C(F)(F)F)c1ccc(N2CCCCC2)cc1 268864339 SZEMEHCQXDLYGB-WFASDCNBSA-N 316.367 3.251 10 10 DGCE C[C@H]1CCCN(c2cc(Br)c(CN)cc2F)C1 380059153 XQNRRLILVIUVPJ-VIFPVBQESA-N 301.203 3.283 10 10 DGCE CCN(c1ccc([C@@H](C)N)c(Br)c1)C(C)(C)CO 688309722 CXTICWADIZIUOM-SNVBAGLBSA-N 315.255 3.066 10 10 DGCE C[C@@H]1C[C@H](N(C)Cc2ccc(Br)cc2O)[C@@H](C)O1 691677198 MURXDJRQBKAXAV-BREBYQMCSA-N 314.223 3.152 10 10 DGCE Cc1cc(CN(C)c2ccc(CN)cc2Br)ccn1 703132797 NSEIQHIAQUZHOZ-UHFFFAOYSA-N 320.234 3.248 10 10 DGCE Oc1cccc(Br)c1CN1CC[C@@H](C(F)F)C1 707139478 JLPGVFAHUSBYJQ-MRVPVSSYSA-N 306.150 3.242 10 10 DGCE C[C@@H](N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)c1ccccc1O 721892830 XTVZAHWMOAKODY-UMVBOHGHSA-N 320.433 3.298 10 10 DGCE COCCN(CC[C@@H]1CCCCO1)c1ccc(OC)c(OC)c1 754065012 HOIIYJANXHCJFO-INIZCTEOSA-N 323.433 3.116 10 10 DGCE C[C@@H](NCc1nc(-c2ccccc2)n[nH]1)c1ccc(F)cc1O 756867240 HKHGWORDDXUFTL-LLVKDONJSA-N 312.348 3.167 10 10 DGCE CC(C)(C)OC(=O)[C@@H]1CCN(Cc2c(O)cccc2Cl)C1 769503845 OTHNUVPGHVGNJZ-LLVKDONJSA-N 311.809 3.209 10 10 DGCE O=C(N[C@H](c1cc(F)ccc1F)C(F)F)c1cc(O)cs1 791018013 PPBHTDIAQMHDRA-LLVKDONJSA-N 319.279 3.468 10 10 DGCE CN(C)c1ccc(CNCC2(CCO)CC2)c(C(F)(F)F)c1 793094419 WFWBENMHWJTFIA-UHFFFAOYSA-N 316.367 3.024 10 10 DGCE C[C@H](N[C@H]1CCNC[C@H]1C)c1ccc(Cl)c(Cl)c1O 817970788 FGLPYRMPUWVQGA-PTRXPTGYSA-N 303.233 3.348 10 10 DGCE C[C@H](N[C@@H]1CCCCNC1)c1cc(Cl)c(Cl)cc1O 817984320 QJUSUAYEBBCWJN-VHSXEESVSA-N 303.233 3.492 10 10 DGCE C[C@H](N[C@@H]1CCn2ccnc21)c1ccc(Br)cc1O 834833218 VZHDFQYBSJCHLX-JOYOIKCWSA-N 322.206 3.147 10 10 DGCE CNCCC1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 843057104 BBWGTZODKWCCRQ-SNAWJCMRSA-N 301.478 3.087 10 10 DGCE CC1(C)CCC[C@@H]1[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)C1 843503300 BPXKBSJCOYTBDF-NVXWUHKLSA-N 300.446 3.486 10 10 DGCE C[C@]1(c2cccc(F)c2)CCN(C(=O)c2cc(O)cs2)C1 846660368 VLVUDKJOFRNSOR-INIZCTEOSA-N 305.374 3.397 10 10 DGCE COc1ccc(N2CC[C@H](NCc3cccc4c3NCC4)C2)cc1 849350703 SECJTGHJAXBDSJ-KRWDZBQOSA-N 323.440 3.032 10 10 DGCE CO[C@@H](CN(Cc1ccc(N(C)C)cc1)C(C)C)[C@H]1CCOC1 851732049 HZOMSLWGGLHQIQ-HKUYNNGSSA-N 320.477 3.015 10 10 DGCE COc1ccc(N2CC[C@@H](Nc3nnc(C4CC4)s3)C2)cc1 853758147 APQDSDLDLVUWMX-GFCCVEGCSA-N 316.430 3.115 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)C(C)(C)C3CCC3)C2)cc1 855227574 YCTFJXUXRHBRBH-OAHLLOKOSA-N 316.445 3.216 10 10 DGCE CC(=O)c1nc(NC(=O)N[C@@H](C)c2ccccc2O)sc1C 879765604 GLFVOHJXMRWQAX-QMMMGPOBSA-N 319.386 3.242 10 10 DGCE Cc1cccc(O)c1CNCC[C@@H]1CCC2(CCOCC2)CO1 895799059 GRGYTRGZVNUBRR-INIZCTEOSA-N 319.445 3.156 10 10 DGCE Cc1ccc([C@H](C)NC[C@@H]2CC[C@@H](C(F)(F)F)O2)c(O)c1 903177889 CBFZSBLVVRDHBP-MJVIPROJSA-N 303.324 3.461 10 10 DGCE CCN(CC(=O)N(C)[C@@H](C)CC(C)C)c1ccc(OC)cc1 1191837907 GHBLRCKVGQMMEP-HNNXBMFYSA-N 306.450 3.415 10 10 DGCE C[C@H](COCC1CCCCC1)NC(=O)NCc1ccccc1O 1313323277 GEXUIBFSBSXCAC-CQSZACIVSA-N 320.433 3.177 10 10 DGCE OC1(CNCc2ccc(N3CCCC3)cc2)CCC(F)(F)CC1 1330201968 KLEITBLPOATCAP-UHFFFAOYSA-N 324.415 3.317 10 10 DGCE CC[C@H](C)[C@@H](OC)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1351164070 SVWRWPPVHPNJFQ-MAUKXSAKSA-N 318.461 3.306 10 10 DGCE CC[C@H]1CC[C@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)O1 1352614322 AGNBSQMZRNAVER-ZWKOTPCHSA-N 316.445 3.203 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)c1cc2ncccc2o1 1360273861 QQTOCRWSMKZYKS-UHFFFAOYSA-N 309.369 3.132 10 10 DGCE COc1cccc2[nH]c(C(=O)NCc3ccc(N(C)C)cc3)cc12 1440648865 TYSFJQKJYVBNQN-UHFFFAOYSA-N 323.396 3.173 10 10 DGCE C/C(=C\c1cccnc1)C(=O)N(C)c1cccnc1N1CCCC1 1516053905 KOIZLHRBUHBNCW-FYWRMAATSA-N 322.412 3.143 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2COC[C@H]2C2CC2)cc1 1537611183 QEXRNKAOGSBERQ-OALUTQOASA-N 324.424 3.249 10 10 DGCE CCN(C)c1ccc(CN2C[C@@H](C)O[C@@](C)(C(F)F)C2)cc1 1560014160 LWDUNWXOOGIJSN-CXAGYDPISA-N 312.404 3.387 10 10 DGCE C=C/C=C\CCN(CC(=O)OC)Cc1cc(Cl)ccc1O 1615936008 YLVDFCWAHIUBSS-PLNGDYQASA-N 309.793 3.153 10 10 DGCE CCCCC[C@@H](O)C(=O)NCc1ccc(N(CC)CC)cc1 1626085118 CVWLQUYOTNVYJZ-QGZVFWFLSA-N 306.450 3.090 10 10 DGCE CO[C@@H](C(=O)N[C@H](C)c1ccccc1O)c1ccc(F)cc1 1632250132 KWRQJZCZHSIDLP-BDJLRTHQSA-N 303.333 3.096 10 10 DGCE C[C@@H]1C[C@H]1c1ccc(CCC(=O)NCc2cc(O)ccc2O)o1 1633595293 QLGUVAINTJEGEH-IAQYHMDHSA-N 315.369 3.063 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC1C[C@@H]2C[C@H]2C1 1639496213 RVFMFGOJOPRTOW-GJZGRUSLSA-N 322.408 3.435 10 10 DGCE COc1cccc(CC(=O)N[C@H](C)c2ccccc2O)c1Cl 1648889841 OMTSFLOKEHPZPQ-LLVKDONJSA-N 319.788 3.474 10 10 DGCE C[C@@H]1[C@@H](C)[C@](N)(c2ccccc2O)CCN1C(=O)OC(C)(C)C 1903272971 QIMBHCPWNSGERY-VFVRVIDISA-N 320.433 3.212 10 10 DGCE O=C(O)C=Cc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 1911669751 KIGWFQGOLDXKQB-UHFFFAOYSA-N 322.408 3.107 10 10 DGCE [N-]=[N+]=NCC1CCN(C(=O)c2occc2Br)CC1 1912150511 UQPBMCNUZRXWBW-UHFFFAOYSA-N 313.155 3.205 10 10 DGCE O=C(O)[C@@H]1CCN[C@@H]1c1c(O)c(Cl)cc(Cl)c1Cl 1952795600 SIAIECCVMZPLPY-MOFOKWOHSA-N 310.564 3.088 10 10 DGCE CC(C)(C)OC(=O)N[C@@H](c1c(N)cccc1O)C(F)(F)F 1953062039 BGXDYYWHDAGCIE-JTQLQIEISA-N 306.284 3.103 10 10 DGCE C[C@@H]1CCN(C(=O)OC(C)(C)C)CCN1CCCCN=[N+]=[N-] 1962287877 OGHYSRCXZMTWMY-CYBMUJFWSA-N 311.430 3.408 10 10 DGCE C[C@@H](O)CN(Cc1ccccc1)c1ccc2c(c1)CCC[C@@H]2O 1986598836 AKFCMLSYWSFWDF-QRWLVFNGSA-N 311.425 3.444 10 10 DGCE CC(C)(C)N(Cc1ccccc1)C(=O)c1cc(O)c(O)c(O)c1 1988125008 ZQIHXERVHNJUTJ-UHFFFAOYSA-N 315.369 3.244 10 10 DGCE CC[C@@H]1[C@@H](N[C@@H](C)c2ccccc2O)CN1C(=O)OC(C)(C)C 1991559106 NVWCCVOGCYHEAM-AEGPPILISA-N 320.433 3.441 10 10 DGCE CN(CC1(F)CCC1)c1ccc(CN)cc1Br 2008517106 HJSCMAJSLRONDX-UHFFFAOYSA-N 301.203 3.236 10 10 DGCE CN1CCc2cc([C@@H](O)[C@H]3CCN(Cc4ccccc4)C3)ccc21 2015152687 HQFSAAQDTWXKDR-PZJWPPBQSA-N 322.452 3.234 10 10 DGCE CCNCc1ccc(N2C[C@H](C)[C@H](F)C2)c(Br)c1 2035297125 MTANEDLAGZKHAW-GXFFZTMASA-N 315.230 3.353 10 10 DGCE CC[C@](C)(CN(C)Cc1cc(Br)ccc1O)OC 2066248842 ZTNOMCOBDQKFJL-CQSZACIVSA-N 316.239 3.402 10 10 DGCE Cc1cnn(Cc2ccc(Br)cc2O)c1Cl 2070310332 RRLOIOQHPOKPBR-UHFFFAOYSA-N 301.571 3.361 10 10 DGCE Cc1cccc(Cn2nc(C3CC3)c(CN)c2C(F)F)c1O 2078994334 NBKNCCATGYAUFA-UHFFFAOYSA-N 307.344 3.219 10 10 DGCE CCc1nn([C@@H](CC)c2cc(C)c(C)cc2O)c(N)c1C(=O)O 2079935840 POCYNMCGHXUIQG-ZDUSSCGKSA-N 317.389 3.048 10 10 DGCE COc1cc(N)c(N2CCC(Cl)=C(Cl)C2)cc1OC 2097302750 GTTJHZQANBVESM-UHFFFAOYSA-N 303.189 3.185 10 10 DGCE CCNCc1ccc(N2C[C@H]3C[C@H]2[C@H]2C[C@@H]32)c(Br)c1 2103270544 JBPUXCZDSHIQKX-DVZHBHJUSA-N 321.262 3.403 10 10 DGCE CC(C)(NCc1ccccc1O)c1cc(Br)no1 2256769019 IZFWELJHWBXSMH-UHFFFAOYSA-N 311.179 3.168 10 10 DGCE NCc1ccc(N2CC[C@](F)(C(F)F)C2)c(Br)c1 2315877982 OGMDNTFYZHZYLF-GFCCVEGCSA-N 323.156 3.091 10 10 DGCE NNc1nc(C(F)(F)F)ccc1CSc1nccs1 2343792686 LGMVZFBLMDTOIW-UHFFFAOYSA-N 306.338 3.135 10 10 DGCE CCn1ccnc1N(C)Cc1ccc(C)c(Br)c1O 2352620688 SOESIAPXDDNHEZ-UHFFFAOYSA-N 324.222 3.316 10 10 DGCE CCSC1=NSC2=NC(=O)/C(=C/c3cccs3)C(=N)N12 6357424 TUTKATCJEVNJKG-YOULEHPWSA-N 322.440 3.078 10 10 DGCE Cc1cccc2ccc(/C=C3/SC(=S)N(C)C3=O)nc12 20414003 FZWYLBDYKZBUAS-XYOKQWHBSA-N 300.408 3.374 10 10 DGCE COC(=O)Cc1nc2ccc(C)cn2c1/N=N\c1cccc(O)c1 71590028 IATNUGIZKVMLDS-VXPUYCOJSA-N 324.340 3.479 10 10 DGCE Oc1ccc(Cl)cc1CN1CC[C@H](Oc2cccnc2)C1 93691083 BQQXBWSHEHYEHE-HNNXBMFYSA-N 304.777 3.094 10 10 DGCE CC1=NN(c2ccccc2)C(=O)[C@H]1Sc1nc2ccccc2[nH]1 100988538 CBZUSKFHENVUGM-HNNXBMFYSA-N 322.393 3.446 10 10 DGCE COc1ccc2c(c1)CCN2Cc1cc2ccccc2[nH]c1=O 111209090 WJXBZQLMQJBDIH-UHFFFAOYSA-N 306.365 3.099 10 10 DGCE CC[C@H](C)c1cc(C(=O)NCc2ccc(N(C)C)cc2)on1 131585025 ZNRHTJPXHMWATI-LBPRGKRZSA-N 301.390 3.184 10 10 DGCE CC(C)NCc1ccc(N(C)C[C@H](C)O)cc1C(F)(F)F 167374450 GRBBTINNEBBIIN-NSHDSACASA-N 304.356 3.020 10 10 DGCE CO[C@H](C)[C@H](C)N[C@H](C)c1ccc(Br)cc1O 191651417 SQDHVNMUEZVCEK-IVZWLZJFSA-N 302.212 3.229 10 10 DGCE CCN(CC)c1ccc(CNCCOC)cc1Br 233452577 BWSOJPOLICRQQY-UHFFFAOYSA-N 315.255 3.031 10 10 DGCE C[C@H]1CN(c2ccc([C@H](C)N)c(Br)c2)[C@@H](C)CO1 235514754 XIOLPUGYDAZPHK-DCAQKATOSA-N 313.239 3.082 10 10 DGCE C[C@H]1CCN(c2ccc(/C=C/C(=O)O)c(Br)c2)C1 235672050 MWRHGCSJPXDDNV-GFAPAMAISA-N 310.191 3.393 10 10 DGCE COc1ccc(O)c(CNC(=O)/C(C)=C\c2ccc(F)cc2)c1 255596552 GQMJQGOBBDYHSK-XFXZXTDPSA-N 315.344 3.260 10 10 DGCE Oc1ccccc1CN1CCC[C@@H](c2ncc3n2CCCC3)C1 282414909 DJYPGIFNYNKRRW-MRXNPFEDSA-N 311.429 3.305 10 10 DGCE C[C@@H](NC[C@@H]1COc2ccccc2O1)c1ccc(F)cc1O 315830190 AEBNMSIJYFGFTA-DGCLKSJQSA-N 303.333 3.022 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(C(F)F)o1 625916329 QZPMTVHHJVOOFZ-UHFFFAOYSA-N 322.311 3.322 10 10 DGCE C[C@@H]1O[C@H](C)C[C@@H]1N(C)Cc1c(O)cccc1Br 707164263 RKWRAIXRLCFFJG-NRUUGDAUSA-N 314.223 3.152 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CC[C@]2(CCCNC2)C1 709993520 ZPMZWPLUFSSHPE-HNNXBMFYSA-N 315.244 3.275 10 10 DGCE C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NCc1ccccc1O 716173106 GYTBWJLNKHIPPD-LPHOPBHVSA-N 310.441 3.392 10 10 DGCE CCOc1cccnc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 773012092 FVFJQESTZCXUHR-ZDUSSCGKSA-N 313.401 3.037 10 10 DGCE Cc1[nH]nc(C(C)C)c1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 775405637 SVTVAJJADWHDFC-LBPRGKRZSA-N 314.433 3.399 10 10 DGCE Cc1cc(Cl)cc(CN2CCO[C@@H](C(F)(F)F)C2)c1O 775715506 ZJUIZNBIUHCCCD-LLVKDONJSA-N 309.715 3.117 10 10 DGCE Cc1ccc([C@@H]2CCN(Cc3cc4c(cc3O)OCO4)C2)cc1 784025011 JBGHRUOABLOCOI-OAHLLOKOSA-N 311.381 3.419 10 10 DGCE Cc1nc(C)c(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)o1 808192864 GEKNQZPQFCZDOS-UHFFFAOYSA-N 324.384 3.024 10 10 DGCE CC[C@@H]1CN(Cc2c(O)cc(C)cc2Cl)C[C@@H](C)[S@@]1=O 840948244 NKFWKVFMQUHATD-HTGLOVNISA-N 315.866 3.085 10 10 DGCE C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)Nc1ccc(N)cc1 841297303 DTVWDEPBKNOUMZ-PXAZEXFGSA-N 311.385 3.125 10 10 DGCE Cc1cccc2nc(CCN[C@@H](C)c3cc(F)ccc3O)cn12 842932453 ALWOOMLBXRPXNO-ZDUSSCGKSA-N 313.376 3.381 10 10 DGCE CCOc1cccc(CN[C@@H](C2CCOCC2)C2CC2)c1O 846043408 ZHFLLHMRRSMKQE-QGZVFWFLSA-N 305.418 3.086 10 10 DGCE C[C@H](O)[C@H](N[C@H]1CCc2cccc(O)c21)c1ccccc1F 846181559 CFEARDPGCRTEHO-GYOIFBIXSA-N 301.361 3.230 10 10 DGCE C[C@@H]1C[C@H](NCCO[C@H]2CC2(F)F)c2c(O)ccc(F)c21 850521331 RZPLKHXSAKPTGX-QRTLGDNMSA-N 301.308 3.093 10 10 DGCE CCCC[C@@](C)(CO)NCc1cc(F)c(N(C)C)cc1F 858182390 RESLUSMDQNNBRS-INIZCTEOSA-N 300.393 3.062 10 10 DGCE Oc1cccc(Br)c1CN1CC[C@@]2(C1)CC2(F)F 862403175 WVANCMQTTVVIRW-LBPRGKRZSA-N 318.161 3.386 10 10 DGCE Cc1ccc(CN[C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)c(O)c1 898102685 XWHYDJLKAGOYIG-CTYIDZIISA-N 320.433 3.094 10 10 DGCE COc1ccc(N2CCC(N[C@@H]3C[C@H]4[C@@H](C3)C4(F)F)CC2)cc1 1118420357 OGMUSSXPKLGTRD-AYGBPOKTSA-N 322.399 3.297 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)C1(C)CCOCC1 1124623812 YMQANFLOJMPQLP-UHFFFAOYSA-N 316.445 3.062 10 10 DGCE CC[C@H](C)[C@@H](O)CNC(=O)c1sccc1-n1c(C)ccc1C 1137355932 TXHSLEMSWXLWLA-NHYWBVRUSA-N 320.458 3.292 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1sc(C)cc1C 1140198565 JDGHACBMRCNOCC-UHFFFAOYSA-N 310.415 3.486 10 10 DGCE Cc1cc(Cl)nc(Cl)c1C(=O)NCc1ccccc1O 1147902137 XQGOTBXDSFEZGE-UHFFFAOYSA-N 311.168 3.332 10 10 DGCE CCOc1ccc(N2CCN(C[C@H]3CCO[C@H](C)C3)CC2)cc1 1324795091 GJMKPDDKCJNHOE-SJORKVTESA-N 318.461 3.022 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)C1(c2cccnc2)CC1 1445899475 FGNAEOXTKIFZEB-UHFFFAOYSA-N 322.408 3.014 10 10 DGCE O=C(NCc1c(O)cccc1F)c1nc(Cl)sc1Cl 1456029429 NKKZFCFQTZKVEW-UHFFFAOYSA-N 321.160 3.225 10 10 DGCE C[C@H](NC(=O)Nc1ccc(CO)cc1)c1ccc(N(C)C)cc1 1526896088 FESOHAFIKTXXGG-ZDUSSCGKSA-N 313.401 3.128 10 10 DGCE O=C(N[C@@H]1CCCc2c(F)cccc21)c1cccc(O)c1O 1569845975 LWZFMMFLSFXTIZ-CQSZACIVSA-N 301.317 3.044 10 10 DGCE CCCOc1cc(C)ccc1CNC(=O)c1cccc(O)c1O 1635431790 SLTLVEXQPOHAON-UHFFFAOYSA-N 315.369 3.125 10 10 DGCE O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@@H]1C=CCC1 1637996174 GBQVETJPTURYFE-SECBINFHSA-N 315.200 3.464 10 10 DGCE C[C@@H](Cc1ccc(F)cc1)C(=O)NCc1c(O)cccc1F 1638862838 FCGYCSOEYNWVDS-NSHDSACASA-N 305.324 3.165 10 10 DGCE CSCc1cc(C(=O)NCc2cc(O)ccc2O)ccc1F 1643881745 CXVVXKGKJXZKCL-UHFFFAOYSA-N 321.373 3.030 10 10 DGCE COC(=O)c1cnc(Sc2ccsc2[N+](=O)[O-])s1 1651884241 OWYLDWKWSUFSJH-UHFFFAOYSA-N 302.358 3.051 10 10 DGCE CC1=NN(Cc2ccc(C)cc2)C(=O)/C1=C/c1ccc(O)cc1O 1865653955 APMMSVMAIYXZSJ-RQZCQDPDSA-N 322.364 3.208 10 10 DGCE CCC1=NN(Cc2ccccc2)C(=O)/C1=C/c1ccc(O)cc1O 1865654548 WYSYPMKBEJNMSE-MHWRWJLKSA-N 322.364 3.290 10 10 DGCE Oc1cc(Br)ccc1CNC[C@H](F)C(F)(F)F 1876095629 XNJRCIWOBQLTJK-VIFPVBQESA-N 316.092 3.145 10 10 DGCE CC[C@H]1CCOCCN1Cc1c(O)cccc1Br 1913683986 HUIJCBCFHRYNDM-NSHDSACASA-N 314.223 3.156 10 10 DGCE Nc1snnc1-c1nc(-c2cc(Cl)cc(Cl)c2)no1 1923202481 IBIBWWWINIKMGX-UHFFFAOYSA-N 314.157 3.144 10 10 DGCE CC(C)(C)OC(=O)NCCCCC[C@H](N)c1ccccc1O 1928464564 GULZFOGIMYPSHA-AWEZNQCLSA-N 308.422 3.477 10 10 DGCE CC(C)(C)OC(=O)N[C@@](C)(C1CC1)[C@H](N)c1ccccc1O 1928476730 MHBVLFDVIALEAQ-PBHICJAKSA-N 306.406 3.085 10 10 DGCE Cc1ccc(O)c([C@@H]2[C@@H](C(=O)O)CCN2C(=O)OC(C)(C)C)c1 1952792932 JQSNZTFHLOTQTG-FZMZJTMJSA-N 321.373 3.083 10 10 DGCE CC(C)(C)OC(=O)N1CC(N(CCCCN=[N+]=[N-])C2CC2)C1 1962303412 HAZDQKNRALZNBZ-UHFFFAOYSA-N 309.414 3.161 10 10 DGCE CC(C)(C)OC(=O)N1CCC2(CCN(CCCN=[N+]=[N-])CC2)C1 1982245528 IYHMOJCVMBDNOC-UHFFFAOYSA-N 323.441 3.410 10 10 DGCE Cc1ccc(CN[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c(O)c1 1994456223 IXQQKOQORQLIKL-HNNXBMFYSA-N 320.433 3.190 10 10 DGCE CCN(c1ccc(CO)cc1Br)[C@H]1CCSC1 2003839636 DPEDHPGQJARGIJ-NSHDSACASA-N 316.264 3.273 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)c1cc(Br)cs1 2004868966 NEBLAHUSIZBMBM-QMMMGPOBSA-N 315.196 3.426 10 10 DGCE C[C@H](F)[C@H]1CCCN1Cc1c(O)cccc1Br 2010588497 AHZCNNNXRWCUSY-JOYOIKCWSA-N 302.187 3.477 10 10 DGCE Oc1ccc(Br)cc1CN1C[C@@H](F)C[C@@H](F)C1 2011415606 SVBRAFSTQKGDRN-PHIMTYICSA-N 306.150 3.037 10 10 DGCE OCc1ccc(N2CCC[C@@H](C(F)F)C2)c(Br)c1 2032461640 XQBPHPXSTAQTTO-SNVBAGLBSA-N 320.177 3.423 10 10 DGCE CN(CC[C@H]1CCOC1)Cc1cccc(Br)c1O 2075508914 BOIRDEBOICFVHO-NSHDSACASA-N 314.223 3.013 10 10 DGCE Cc1ccc(N(C)Cc2cccc(Br)c2O)cn1 2075991968 MQZRSCXDVZPHBS-UHFFFAOYSA-N 307.191 3.495 10 10 DGCE CN(C[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2)c1ccc(CO)cc1Br 2134496809 LFDPUXKXVSJCAN-DJUFWWRVSA-N 322.246 3.280 10 10 DGCE CN(C)c1ccc([C@@H](N)c2csc(C(F)(F)F)n2)cc1 2144135443 XACUKZUMRQUPGM-LLVKDONJSA-N 301.337 3.276 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NC(=O)c1ccsc1Br 2213587752 KPLMNCPMXYZHCH-JGVFFNPUSA-N 315.196 3.472 10 10 DGCE CC[C@H](C)NCc1ccc(N2CC(F)C2)cc1Br 2223530870 KTHXAZBPQDGFOE-JTQLQIEISA-N 315.230 3.495 10 10 DGCE Cc1nn(C)c(N(C)[C@@H](C)c2ccccc2O)c1Br 2226818175 CPUGNIBVTMCFTE-JTQLQIEISA-N 324.222 3.394 10 10 DGCE CN(Cc1ccccc1O)c1nc(Cl)nc(Cl)c1F 2265689020 UIMPTLXOMNPFNP-UHFFFAOYSA-N 302.136 3.265 10 10 DGCE CCC[C@@H]1CN(Cc2cnc(SC)s2)[C@H](C(C)C)CN1 2284678398 WAVMYBSUBRIYQF-OCCSQVGLSA-N 313.536 3.464 10 10 DGCE Cc1cc(C=CC(=O)NC2CCOCC2)c(C)n1-c1ccccc1 2297359632 VUDTUWSGBYULCN-UHFFFAOYSA-N 324.424 3.403 10 10 DGCE Nc1ccc(C[S@](=O)Cc2ccc(Br)cc2)cc1 2318718464 JHQCEDDYEAIWMI-GOSISDBHSA-N 324.243 3.480 10 10 DGCE O=C1C(=Cc2ccccn2)C(C(F)(F)F)=NN1c1ccccc1 2332128565 GADYDTCATRWYDJ-UHFFFAOYSA-N 317.270 3.430 10 10 DGCE CSc1ncc(CN[C@]2(C(=O)O)CC[C@H](C)C[C@H]2C)s1 2373829739 YBJKTPNBSMIDLV-IMSIIYSGSA-N 314.476 3.234 10 10 DGCE C[C@H](N[C@H](C)c1ccccc1O)c1cn(-c2ccccc2)nn1 179896093 QXANHHVYILGFLB-KGLIPLIRSA-N 308.385 3.385 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)C(=O)n1ccc2c(N)cccc21 170025219 VKQIYUHFEAQDAE-LLVKDONJSA-N 310.353 3.154 10 10 DGCE C[C@H](N[C@H]1CCN(Cc2ccccc2)C1)c1c(O)cccc1O 303994672 ULMVBUUIUXWULA-HOCLYGCPSA-N 312.413 3.023 10 10 DGCE C[C@H](c1cc(Br)ccc1O)N1CCOCC1(C)C 133546127 WRYWQAFGXWNYHZ-SNVBAGLBSA-N 314.223 3.327 10 10 DGCE CCN[C@H](C)c1ccc(N2C[C@H]3[C@H](O)CC[C@H]3C2)cc1Cl 228045789 BHBGUHZNVDXRMP-DJZPMSPPSA-N 308.853 3.218 10 10 DGCE CC(C)Oc1ccc(N(C)Cc2nnc(C3CC3)n2C)cc1 191583328 XTTLQKDDHPUABW-UHFFFAOYSA-N 300.406 3.116 10 10 DGCE C[C@H](Nc1ccc(Br)nc1)c1ccc(O)cc1O 235553614 BBWKLKMOPVZTPM-QMMMGPOBSA-N 309.163 3.428 10 10 DGCE CN(CCCOCc1ccccc1)c1ccc(CN)cc1C#N 384105512 ZMMCHLMQDKPUGC-UHFFFAOYSA-N 309.413 3.060 10 10 DGCE C[C@H]1C[C@H](C(=O)NCc2c(O)ccc3c2CCCC3)C[C@@H](C)O1 245727958 DXFKOZZQWFKVFB-AGGWBTHJSA-N 317.429 3.091 10 10 DGCE CC(F)(F)CCCNCc1cc(Cl)cc([N+](=O)[O-])c1O 296098470 RQRYVDUWBFPWQR-UHFFFAOYSA-N 308.712 3.479 10 10 DGCE Cc1cc(CN(C)C(=O)c2ccc(O)c(O)c2)sc1Cl 2165332651 CTNKUJCTMLDYJB-UHFFFAOYSA-N 311.790 3.393 10 10 DGCE COC(=O)c1cnc(SC[C@H](O)c2cc(C)cc(C)c2)s1 834382566 NUQZQNJIWXTYNF-LBPRGKRZSA-N 323.439 3.372 10 10 DGCE CC[C@@H](C(=O)OC(C)(C)C)N(C)Cc1cc(C)cc(OC)c1O 844759732 RLWICUOKTYTZJT-AWEZNQCLSA-N 323.433 3.261 10 10 DGCE C[C@@H]1CC2(CCOCC2)CN1Cc1cc2c(cc1O)CCC2 842638193 XAKAVJOYODEBDT-CQSZACIVSA-N 301.430 3.272 10 10 DGCE CCN(CC)c1ccc(CNCc2cnc(Cl)n2C)cc1F 848535179 DYJBNEOFKVGWQM-UHFFFAOYSA-N 324.831 3.349 10 10 DGCE O=C(CSc1ccc2c(c1)CCC2)NCc1ccccc1O 748354222 WVGKOGATBVAKIW-UHFFFAOYSA-N 313.422 3.289 10 10 DGCE C/C(=C\c1cccnc1)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 846977674 KRAGWCPKXHOLAN-ZQHYZAEZSA-N 309.413 3.428 10 10 DGCE OC1CCN(c2ccc(CN[C@H]3CCCC34CC4)cc2F)CC1 850427160 ODTVSWVNZUOHBQ-SFHVURJKSA-N 318.436 3.209 10 10 DGCE O=C(O)/C=C/c1ccc(N2C[C@@H]3CC[C@H]3C2)cc1Br 688353742 YQEXECJQQAHMKV-JZYUNNQISA-N 322.202 3.393 10 10 DGCE CCC[C@@H](CC)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 852024809 NPXLPRGQGUISIH-CABCVRRESA-N 319.449 3.152 10 10 DGCE O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CC12CCCC2 758369941 VQRSKGQRIKSLCM-KRWDZBQOSA-N 313.445 3.419 10 10 DGCE C[C@@H]1C[C@@H](NCCO[C@H]2CC2(F)F)c2c(O)ccc(F)c21 850521334 RZPLKHXSAKPTGX-UISBYWKRSA-N 301.308 3.093 10 10 DGCE CCC(C)(C)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 852280965 ZYSXZGYQTBXKNB-AWEZNQCLSA-N 319.449 3.009 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)NCC2(C)C[C@H]3C[C@@H]3C2)c1 858890473 KDNYQFBZSSSZDU-YNEHKIRRSA-N 318.417 3.197 10 10 DGCE C[C@@H](CNC(=O)NCc1cc(Cl)ccc1O)c1ccccn1 854258673 QNDNKTBKFKAZMO-NSHDSACASA-N 319.792 3.044 10 10 DGCE C[C@H](N[C@H]1CCOC[C@H]1C)c1ccc(Br)cc1O 762647197 FGVDWTUHLHIFKN-NRUUGDAUSA-N 314.223 3.230 10 10 DGCE CC[C@@H](NC[C@@H]1CC2(CCOCC2)CO1)c1ccc(F)cc1O 866530997 DAGZRMPQADCXHA-GOEBONIOSA-N 323.408 3.158 10 10 DGCE CC[C@@H]1NCC[C@H]1N[C@H](C)c1ccc(Cl)c(Cl)c1O 863543432 OLAVOGIYUJYIAI-JFUSQASVSA-N 303.233 3.490 10 10 DGCE C[C@@H](CCNCc1cc(-c2ccccc2)ccc1O)[S@@](C)=O 765287120 SARODSSTLINOAC-RCDICMHDSA-N 317.454 3.306 10 10 DGCE CN(C)c1ccc(CN[C@H]2c3ccccc3OC[C@H]2F)cc1F 866247991 IWBCCIRSNACPTB-QAPCUYQASA-N 318.367 3.453 10 10 DGCE COc1cc(O)c(CN2[C@H]3CC[C@H]2CC(F)(F)C3)cc1OC 863277745 HDLYCUJDTLQWRJ-RYUDHWBXSA-N 313.344 3.172 10 10 DGCE Cc1cc(Br)c(O)c(CN2CCCO[C@@H](C)C2)c1 781907425 HYFUXQBGGWAOJH-NSHDSACASA-N 314.223 3.074 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@H]2CCC(C)(C)O2)cc1 782670547 GNWDYKXTRPKUKA-MRXNPFEDSA-N 304.434 3.107 10 10 DGCE CC(=O)c1cc(F)cc(CN(C)Cc2cnccc2C)c1O 796508037 UCEMCKPNJLFWDJ-UHFFFAOYSA-N 302.349 3.069 10 10 DGCE O=Cc1ccc(F)c(C(=O)Nc2cccc(N3CCCC3)c2)c1 1136312805 SGERAYIZKRDUQW-UHFFFAOYSA-N 312.344 3.491 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccccc2N)C1(C)C 1959370305 KTYNKHXTGAXVSQ-CQSZACIVSA-N 305.422 3.469 10 10 DGCE CC[C@H]1CN(Cc2cccc(F)c2)c2ccc(CN)cc2O1 74337947 FWCCKPOVLSTMAI-INIZCTEOSA-N 300.377 3.462 10 10 DGCE O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)c1c(F)ccc(O)c1O 1161235372 JHZTUNWWEBUYRC-CMPLNLGQSA-N 321.735 3.176 10 10 DGCE CO[C@@H]1CCC[C@@H](NCc2cc(Br)ccc2O)C1 746753662 GNMLPFGBCRXGOH-CHWSQXEVSA-N 314.223 3.202 10 10 DGCE C[C@@H](NC(=O)/C=C/c1ccc(C=O)cc1)c1ccc(N(C)C)cc1 1296650492 VRKCLXRPFVDCFU-XETPBLJFSA-N 322.408 3.456 10 10 DGCE C[C@H](CNC(=O)NCc1c(O)cccc1F)c1ccccc1 1469730344 UZULEFIYZCEKTP-GFCCVEGCSA-N 302.349 3.134 10 10 DGCE C[C@@H](NC(=O)CCc1cccc(F)c1F)c1ccccc1O 1471196113 VCFBFMCXCSNZHF-LLVKDONJSA-N 305.324 3.480 10 10 DGCE Cc1cc(N2CCCC2)ccc1/C=C1/SC(=S)N(C)C1=O 1129971 HAEDDOGSJNGPBH-GXDHUFHOSA-N 318.467 3.426 10 10 DGCE O=C(Cc1c(F)cccc1F)NCc1cc(Cl)ccc1O 1632223741 OTCSVGBILKIIDD-UHFFFAOYSA-N 311.715 3.183 10 10 DGCE COC(=O)[C@H](N[C@H](C)c1ccccc1O)c1ccccc1F 1648054475 WQAXMUXXTQLPSP-BDJLRTHQSA-N 303.333 3.096 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)NCC(C)(C)[C@@H](C)O)cc1 1646336859 IYLWWUGVYRNEOW-OAHLLOKOSA-N 314.429 3.231 10 10 DGCE CCSc1ccccc1CC(=O)NCc1ccc(O)c(O)c1 1595596333 UJQZFFPABMLVFC-UHFFFAOYSA-N 317.410 3.069 10 10 DGCE COCCN1C(=O)/C(=C\c2ccc([C@@H]3C[C@H]3C)o2)SC1=S 12782325 GWUFRYMJIBXDTF-QMJOALNRSA-N 323.439 3.251 10 10 DGCE Nc1ccc(CCNC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)cc1 152546690 NRTZOGYQIOJCTC-HZPDHXFCSA-N 316.351 3.009 10 10 DGCE Cc1cc(S(=O)(=O)N(C)CCCN=[N+]=[N-])sc1Cl 1912144625 WIYBXPQHZAUJNA-UHFFFAOYSA-N 308.816 3.031 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([C@@H](N)c2ccccc2O)C1 1936967708 JVJXENIRFLBUFT-XJKCOSOUSA-N 320.433 3.476 10 10 DGCE CN[C@H](c1ccccc1O)C12CC(CN1C(=O)OC(C)(C)C)C2 1936984204 URCRBNBXABPVHG-HBSPSFQMSA-N 318.417 3.052 10 10 DGCE COc1cc(Br)cc([C@@H]2CC(F)(F)CCN2)c1O 1952685918 OBZCPHRZDJHEJS-VIFPVBQESA-N 322.149 3.223 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC1CC(n2ccnc2)C1 1972542431 DENXJBMYBPWTEZ-UHFFFAOYSA-N 312.200 3.389 10 10 DGCE C[C@@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CCN1Cc1ccc(N)cc1 1977892826 HZCNVSFNFAAYMR-ZIAGYGMSSA-N 319.449 3.099 10 10 DGCE CC1(CC[C@@H](N)c2ccccc2O)CN(C(=O)OC(C)(C)C)C1 1984654425 ACTBSYYIIACWKC-CQSZACIVSA-N 320.433 3.429 10 10 DGCE Cc1onc(CN2CCC(N=[N+]=[N-])CC2)c1Br 2006818129 BNBPFBZYASCBBR-UHFFFAOYSA-N 300.160 3.020 10 10 DGCE C[C@H]1CCO[C@@H]1CN(C)Cc1ccc(Br)cc1O 2034985724 QMVQFAXFVQYYSN-IINYFYTJSA-N 314.223 3.012 10 10 DGCE COc1ccc(CNCc2coc(Br)c2)c(O)c1 378978200 PQCBOJFUJDESNU-UHFFFAOYSA-N 312.163 3.046 10 10 DGCE CCNCc1cc(F)c(N2CCSC[C@H](C)C2)c(F)c1 379561797 VUNUMUDSOAEFOT-LLVKDONJSA-N 300.418 3.264 10 10 DGCE CN(c1ccc(CN)cc1Br)C1(C(F)(F)F)CC1 720294562 UKBDTKKHZYDYNK-UHFFFAOYSA-N 323.156 3.439 10 10 DGCE COc1ccc(N(C)[C@H]2CS[C@@H](C(F)(F)F)C2)c(N)c1 2189465336 CVUNKNPAYBEORE-PRHODGIISA-N 306.353 3.150 10 10 DGCE C[C@H](N)c1ccc(N2CC(F)(C3CC3)C2)c(Br)c1 2052053504 LJFVNFGBYFINMB-VIFPVBQESA-N 313.214 3.407 10 10 DGCE CN(c1ccc(CO)cc1Br)[C@@H]1C2C[C@@H]3C1[C@@H]3C2 2070843575 JNCWCQKWPOMOSL-NHTNAGQXSA-N 308.219 3.032 10 10 DGCE O=C(O)[C@@]12CC[C@H]1CCN2Cc1cc(Cl)cc(Cl)c1O 2201102473 QSBDNLFMVNPWRN-LKFCYVNXSA-N 316.184 3.138 10 10 DGCE COc1cc2c(cc1OC)N(C[C@@]1(Cl)CC1(F)F)CC2 2205672448 SHZFAMYAYBTBBW-ZDUSSCGKSA-N 303.736 3.083 10 10 DGCE Nc1ccc(CCOc2ccc(N)c(Br)c2)cc1 2221891793 KBERKSVOHHBUHU-UHFFFAOYSA-N 307.191 3.235 10 10 DGCE O=C1N=C(c2ccccc2)SC1=Cc1ccc2c(c1)OCO2 2295478346 TYQVKYWUAIBXOD-UHFFFAOYSA-N 309.346 3.476 10 10 DGCE COc1ccc(-c2ccc(C=C3SC(=S)NC3=O)o2)cc1 2293038857 BINKAUVDFGACPZ-UHFFFAOYSA-N 317.391 3.444 10 10 DGCE COc1cc(OC)c(N(CC(C)(C)O)C(C)C)cc1Cl 2285918713 BZHDVDZTCGOLLB-UHFFFAOYSA-N 301.814 3.343 10 10 DGCE Cc1ccc(CNc2cccnc2N)c(O)c1Br 2327797190 RZAUOGYFJCVCAP-UHFFFAOYSA-N 308.179 3.052 10 10 DGCE CNCc1ccc(N(CCOC)C(C)C)c(C(F)(F)F)c1 123481277 ZRVCFMOKBFOAMJ-UHFFFAOYSA-N 304.356 3.286 10 10 DGCE Cc1ccc(O)c([C@H](C)NCc2cn(C)nc2C(F)(F)F)c1 186151629 KDZQQAKPWPXDDP-JTQLQIEISA-N 313.323 3.304 10 10 DGCE COC(=O)c1ccc(NC(=O)C(=S)Cc2ccccc2)cc1 39430831 UYTCICKQUGAZTC-UHFFFAOYSA-N 313.378 3.024 10 10 DGCE COc1ccc(N2CCN(c3ccccc3OC)CC2)cc1F 71702880 LHCOGDWQKBFAAK-UHFFFAOYSA-N 316.376 3.170 10 10 DGCE C[C@@H](O)CN(c1cc(Cl)c(CN)cc1F)C1CCCC1 2368844949 KTQJHCYEXYGTOD-SNVBAGLBSA-N 300.805 3.068 10 10 DGCE C[C@H](NCc1ccc(CO)c(F)c1)c1ccc(F)c(F)c1O 191217813 BORQJZVUWXFSGM-VIFPVBQESA-N 311.303 3.153 10 10 DGCE COc1cccc(/C=C2/SC(NC3CCCC3)=NC2=O)c1 96121197 MCJZLQQBWKXIAC-GXDHUFHOSA-N 302.399 3.198 10 10 DGCE CCN1C(=O)/C(=C/c2ccc(N(C)C(C)C)nc2)SC1=S 276523939 BHEMQRQBQFDOED-WQLSENKSSA-N 321.471 3.147 10 10 DGCE CCN(CC)c1ccc(CN2CCOC[C@H]2CC(F)F)cc1 289646583 MOETUDILYZNJGQ-MRXNPFEDSA-N 312.404 3.389 10 10 DGCE Cc1cc(C(=O)N[C@H]2CCCC2(F)F)c(C)n1-c1ccccn1 807853301 FLWJVZMRHFRDKX-AWEZNQCLSA-N 319.355 3.407 10 10 DGCE c1ccc(CN2CCc3cc(CN4CCO[C@@H]5C[C@H]54)ccc32)cc1 814172209 CQDPRYGLZZTRJE-NHCUHLMSSA-N 320.436 3.222 10 10 DGCE Oc1cc(F)c(Cl)cc1CN1CCC[C@@H]([C@@H]2CCOC2)C1 816521121 HQRBEIMHAWYDPV-VXGBXAGGSA-N 313.800 3.433 10 10 DGCE C[C@]12CCN(Cc3ccc(N4CCOCC4)cc3)C[C@H]1C2(F)F 814169631 KZRFWRDGUICXDD-SJORKVTESA-N 322.399 3.000 10 10 DGCE COCc1ccc(COC(=O)/C=C\c2ccc(O)c(O)c2)cc1 815222085 LWAUOORGHAVMAW-CLFYSBASSA-N 314.337 3.001 10 10 DGCE Cc1cnn(CCN(Cc2ccc(N(C)C)cc2)C(C)C)c1 730086983 TXPFVXFJAKDCDB-UHFFFAOYSA-N 300.450 3.168 10 10 DGCE C[C@@H](F)CCNC(=O)N(Cc1ccco1)Cc1ccccc1O 838619177 KPDONKHDWXKLAL-CYBMUJFWSA-N 320.364 3.445 10 10 DGCE CN(C)c1ccc(/C=C/CNC[C@@H](O)c2ccccc2F)cc1 835036974 SPHLMOHAKBJCHV-ZMBJWTFHSA-N 314.404 3.228 10 10 DGCE COc1ccc2ccc(O)c(CN3CCCSCC3)c2c1 917461954 FZPJUNSONCHPBX-UHFFFAOYSA-N 303.427 3.493 10 10 DGCE c1cc2c(cc1CNC1CC(N3CCCCC3)C1)CCCO2 922080177 AWUVXVHXRQJYFD-UHFFFAOYSA-N 300.446 3.118 10 10 DGCE C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 929531896 JWMWMEVDOJTUAM-IIVZCXTMSA-N 300.446 3.393 10 10 DGCE C[C@@H]1C[C@@H](N[C@H]2C[C@@H]3OC(C)(C)O[C@@H]3C2)c2c(O)ccc(F)c21 927059555 DIBFOXNHKSHOQJ-KVOBGNBSSA-N 321.392 3.352 10 10 DGCE CCN(CC)c1ccc(CNCC(O)(C2CC2)C2CC2)cc1 850386818 PSUAIJGNZPXRCO-UHFFFAOYSA-N 302.462 3.174 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCC[C@H]3C[C@@H]32)cc1 855020047 FDDOXVOLFODBCC-QGTPRVQTSA-N 316.445 3.026 10 10 DGCE Cc1ccc(C)c(CN(C)Cc2cc3c(cc2O)OC[C@@H]3O)c1 762051046 PNZJVOGCHKOPRX-SFHVURJKSA-N 313.397 3.067 10 10 DGCE Oc1ccc(F)cc1CN[C@H](c1nccs1)C(F)(F)F 862431299 HEYFNPZUILBEAS-SNVBAGLBSA-N 306.284 3.381 10 10 DGCE Cc1ccc(/C=C\C(=O)N2CCOc3c(Cl)cccc32)cn1 779472803 JZBFXCOIOXRIPA-FPLPWBNLSA-N 314.772 3.482 10 10 DGCE Cc1cccc(CN(c2ccccn2)[C@H]2CC[C@H](N)CC2)c1O 895110765 WWNQNNYRPQDSFT-QAQDUYKDSA-N 311.429 3.372 10 10 DGCE Cc1ccccc1[C@H]1C[C@H](NC(=O)NCc2ccccc2O)C1 798395501 IRTOCQFJNCUKDU-WKILWMFISA-N 310.397 3.446 10 10 DGCE C[C@@H](C(=O)NCc1ccc2cccnc2c1O)c1ccsc1 1142728684 ZWQIQAZITKGRSC-LLVKDONJSA-N 312.394 3.422 10 10 DGCE c1ccc(COc2ccc(N3CC[C@H]4CCN[C@H]4C3)cc2)cc1 1899864302 QUPFFNKPEBXPEG-XLIONFOSSA-N 308.425 3.454 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CCCCN(CCCCN=[N+]=[N-])C1 1962298287 CPUIXINWIMOLSF-ZDUSSCGKSA-N 311.430 3.456 10 10 DGCE CC(C)(C)OC(=O)N1CCN(CCCCN=[N+]=[N-])CC1(C)C 1962304261 MBWCXLCXFFTWFB-UHFFFAOYSA-N 311.430 3.408 10 10 DGCE C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)NCc1cc(Cl)ccc1O 1248715135 HHMWQJWOOHKPTO-OAACRXHESA-N 308.809 3.137 10 10 DGCE CSCCn1c(-c2ccccc2)cnc1SCC(=O)O 69444301 JQGABVXSSATYTL-UHFFFAOYSA-N 308.428 3.090 10 10 DGCE Cc1cnc(C(=O)Nc2c(Cl)ccc3nonc23)cc1C 1539059143 MXILENZQYOQWRN-UHFFFAOYSA-N 302.721 3.140 10 10 DGCE CC(C)N(Cc1cccc(F)c1)C(=O)c1cccc(O)c1O 1542287394 VQRMHWMDGVLCJB-UHFFFAOYSA-N 303.333 3.288 10 10 DGCE O=C(NCc1cccc(O)c1O)c1ccc(Cl)c2occc12 1471641936 CGUOELNLEWRUPN-UHFFFAOYSA-N 317.728 3.427 10 10 DGCE CCN(CC)c1ccc(CNC(=O)c2cc(O)ccc2C)cc1 1625014511 PCPKHHIPBQWRRG-UHFFFAOYSA-N 312.413 3.477 10 10 DGCE CC(C)(C)O[C@@H]1C[C@H]1C(=O)NCc1c(O)ccc2c1CCCC2 1631439271 ZXFSWCGQPFRSBE-RHSMWYFYSA-N 317.429 3.091 10 10 DGCE O=C(NCc1c(O)cccc1F)c1cc(F)c2ncccc2c1 1646034499 KECZIQZQYIPHCK-UHFFFAOYSA-N 314.291 3.149 10 10 DGCE C[C@@H](C(=O)NCc1cc(O)ccc1O)c1cc2ccccc2o1 1651225312 FHVMZAZQYDUOGM-LLVKDONJSA-N 311.337 3.264 10 10 DGCE CC(=O)c1cc(NC(=O)NCc2c(O)cccc2F)ccc1F 1661625984 CZQAGYNEEARMKM-UHFFFAOYSA-N 320.295 3.195 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)N[C@H](C)C[C@@H](C)O)c1 1597435509 LPTNDPUNQMSGSA-CZUORRHYSA-N 314.429 3.292 10 10 DGCE Cc1ccccc1[C@@H]1C[C@H]1NC(=O)NCc1c(O)cccc1F 1683822518 QLXIXNXVZAKYQW-XJKSGUPXSA-N 314.360 3.195 10 10 DGCE O=C1[C@H]2CC[C@@H](C2)N1CN1CCCc2cc(OC(F)F)ccc21 158856642 WYKZOIDVIPXJNH-STQMWFEESA-N 322.355 3.009 10 10 DGCE O=Cc1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)cc1 156339323 NQVGIXCLJKGQAZ-UHFFFAOYSA-N 309.365 3.014 10 10 DGCE CC[C@H]1CN(c2ccc(CNCCOC)c(C)c2)CCS1 157796861 BMKKFOCZGAXKML-KRWDZBQOSA-N 308.491 3.063 10 10 DGCE CCC1=NN(Cc2ccc(F)cc2)C(=O)/C1=C/c1cccn1C 1865670786 RDBPZCIBEAZLGD-LFIBNONCSA-N 311.360 3.356 10 10 DGCE Oc1cccc(F)c1CNCc1ncc(Br)s1 1653131303 IUSCDMLAWRWATQ-UHFFFAOYSA-N 317.183 3.040 10 10 DGCE Cc1ccc(O)c(CNCC(=O)Nc2cccc(Cl)c2C)c1 1857857305 AIKNQPFGJKNPAZ-UHFFFAOYSA-N 318.804 3.391 10 10 DGCE [N-]=[N+]=NC1CN(C(=O)c2ccc(Br)cc2Cl)C1 1912177269 DDRITUYUXQIFOH-UHFFFAOYSA-N 315.558 3.237 10 10 DGCE Cc1cc(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)ccc1Br 1912169422 KKNAARGJEJDXIP-SNVBAGLBSA-N 309.167 3.282 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN(Cc2cnc(Br)s2)C1 1912167498 LLGSQYXWDLZUFQ-QMMMGPOBSA-N 316.228 3.428 10 10 DGCE C[C@@H]1CN(C)CC[C@H]1NCc1cc(Cl)cc(Cl)c1O 252895107 YFNQPYHZWINCIK-NOZJJQNGSA-N 303.233 3.129 10 10 DGCE C[C@H](O)C[C@H](C)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 1977923864 ZYFMDQAWOKZZAH-KBPBESRZSA-N 322.449 3.307 10 10 DGCE C[C@H]1N(Cc2ccccc2)CC[C@@]1(O)c1ccc(N(C)C)cc1 1977939639 RPAAYVISZLKKIC-UZLBHIALSA-N 310.441 3.235 10 10 DGCE CC(C)(C)OC(=O)N[C@@H](CC1CCC1)[C@@H](N)c1ccccc1O 1986007142 QNOOKRVIAIULPE-HOCLYGCPSA-N 320.433 3.476 10 10 DGCE C[C@H](O)c1ccc(N2C[C@H](F)C[C@H]2C)cc1Br 1997691123 HNJMSEVDVOBWFH-KXUCPTDWSA-N 302.187 3.439 10 10 DGCE NC(=O)c1ccc(Cl)c(NCc2cccc(Cl)c2O)c1 164953529 UOLXFPPHGLANRD-UHFFFAOYSA-N 311.168 3.410 10 10 DGCE NCc1cc(F)c(N2CCC=C(Br)C2)cc1Cl 2008204129 BRGSUCYQBGGTLT-UHFFFAOYSA-N 319.605 3.427 10 10 DGCE CO[C@H]1CCCN(Cc2c(O)cccc2Br)[C@@H]1C 2037813525 VFMGUUMSZYMGCY-YGRLFVJLSA-N 314.223 3.154 10 10 DGCE CNCc1ccc(N2C[C@H](C)C(F)(F)C2)c(Br)c1 2040575584 BUSQRTICAMSQBP-VIFPVBQESA-N 319.193 3.260 10 10 DGCE COCCNCc1ccc(N2CC[C@@H](SC)C2)c(Cl)c1 394982837 ZPYUIGALGQUSCE-CYBMUJFWSA-N 314.882 3.018 10 10 DGCE Cc1cc(Br)cc(CN2C[C@@H](F)C[C@H](F)C2)c1O 2062335474 MNXNTAPHIPEJNW-RYUDHWBXSA-N 320.177 3.345 10 10 DGCE CO[C@H]1C[C@@H](C)CN(Cc2c(O)cccc2Br)C1 2085081204 OCWVTTGWBIFDRN-MNOVXSKESA-N 314.223 3.012 10 10 DGCE COc1ccc(N2CCC[C@H](NCC(F)F)C2)cc1Cl 2203008172 OPRIRACXYXVOFM-JTQLQIEISA-N 304.768 3.172 10 10 DGCE COC[C@@](C)(CN(C)[C@H](C)c1ccc(Cl)cc1O)OC 2203363273 RFTBGMIAJSZUAE-IAQYHMDHSA-N 301.814 3.090 10 10 DGCE CCCN(C[C@H](C)O)c1ccc([C@@H](C)O)cc1Br 2259660008 KSHIKWGVOHHDHO-WDEREUQCSA-N 316.239 3.100 10 10 DGCE N=C(NO)c1cnc(SCC2(C(F)(F)F)CCC2)s1 2278779572 LFLDCZXNTUGNFZ-UHFFFAOYSA-N 311.354 3.272 10 10 DGCE Cc1ccc(F)c2c1N(C(=O)C=Cc1cnn(C)c1C)CCC2 2304258498 RDQMGNJWNSMKRF-UHFFFAOYSA-N 313.376 3.169 10 10 DGCE C[C@H](CNC(=O)C=Cc1ccc(O)c(O)c1)Cc1cccs1 2308001605 WUFUYOHHJLUMAK-LBPRGKRZSA-N 317.410 3.168 10 10 DGCE CSCCCN1C(=O)/C(=C\c2ccccn2)SC1=S 12551013 QNHOAUXYPOOJQU-PKNBQFBNSA-N 310.469 3.036 10 10 DGCE [N-]=[N+]=NCCCNC(=O)c1ccc(Br)c(F)c1 43578209 AGNIGLSQBODLBW-UHFFFAOYSA-N 301.119 3.018 10 10 DGCE CC[C@H]1CNc2cc3c(cc2N1CC(F)(F)F)OCCO3 57926335 NCHGASIGDDTZMU-VIFPVBQESA-N 302.296 3.031 10 10 DGCE C[C@H](OCc1ccc(Cl)cc1)C(=O)Nc1ccc(N)cc1 87092623 HAHTVTKNPFSHPV-NSHDSACASA-N 304.777 3.466 10 10 DGCE COc1cccc(CN2CCO[C@H](c3cccs3)C2)c1O 92594435 NUUKOEWCJMWNLL-AWEZNQCLSA-N 305.399 3.036 10 10 DGCE C[C@H](NCc1ccccc1)c1ccc(N2CCC(O)CC2)cc1 152940559 XVYLEZMCIANOJA-INIZCTEOSA-N 310.441 3.499 10 10 DGCE Cc1nn(C)c(C)c1CCCN[C@@H](C)c1ccc(F)cc1O 186227672 AIVVHZRQAFQGHW-NSHDSACASA-N 305.397 3.165 10 10 DGCE COc1cccc(CN2CCc3cccc(OC)c3CC2)c1O 194571785 HVVRMTGNDOURQV-UHFFFAOYSA-N 313.397 3.010 10 10 DGCE CCC[C@@H]1CCN(c2cc3c(cc2Cl)[C@@H](NC)C(=O)N3)C1 228734317 RDHKGJNWYCRMFO-MEBBXXQBSA-N 307.825 3.179 10 10 DGCE CCNCc1ccc(N(C)CC(F)F)cc1Br 233509248 QCVLZATXKQAMNC-UHFFFAOYSA-N 307.182 3.260 10 10 DGCE CCNCc1ccc(N2CCSCC2)c(Br)c1 233533686 IMUNYRNWZBVHKE-UHFFFAOYSA-N 315.280 3.112 10 10 DGCE CCc1nnc(CNCc2cc(Cl)cc(Cl)c2O)s1 289979043 ZOPWKBYXBAKUDM-UHFFFAOYSA-N 318.229 3.403 10 10 DGCE Cc1cc(CNC[C@@H](O)C(F)(F)F)c(C)n1-c1ccccc1 319138355 FBQQBEKRNMCPIN-OAHLLOKOSA-N 312.335 3.107 10 10 DGCE CO[C@H](C)c1cccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1 588404333 MQBAAZPIPBNNLK-ZVTBTPLYSA-N 313.353 3.457 10 10 DGCE Cc1cccnc1/C=C\C(=O)NCc1c(O)ccc2c1CCCC2 588455698 RPSYQUSMDVWIEX-LUAWRHEFSA-N 322.408 3.304 10 10 DGCE C/C=C\C[C@@H](CO)NC(=O)c1cc(C)n(-c2ccccc2)c1C 588494600 RNCABILLTNNICY-AWFCHZOYSA-N 312.413 3.151 10 10 DGCE C[C@H]1CCC[C@H](CNCc2cccc(Br)c2O)O1 688867034 RKCDUKIEPWDCGI-CMPLNLGQSA-N 314.223 3.202 10 10 DGCE C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@H]1CCN 723883753 QIPUMBKSYATIOM-NXEZZACHSA-N 303.233 3.116 10 10 DGCE C[C@@H]1CC[C@@H](C)N(C(=O)NCc2ccc3c(c2)CCCN3C)C1 745788453 KWRZHZXDKCEBBT-HUUCEWRRSA-N 315.461 3.399 10 10 DGCE C[C@@H](CNCc1cccc(Br)c1O)c1ccncc1 749297235 RYOOCHDQRMKFRG-NSHDSACASA-N 321.218 3.443 10 10 DGCE C[C@@H]1CCN(Cc2cccc(Br)c2O)C[C@H]1F 779151529 ZOPNPZIKCUKHLY-BXKDBHETSA-N 302.187 3.335 10 10 DGCE C[C@H](NC(=O)c1cccc(O)c1O)c1ccc2ncsc2c1 790945313 JLXWFFGARXVASR-VIFPVBQESA-N 314.366 3.199 10 10 DGCE Cc1cc(NCc2cc(Cl)cc(C)c2O)ccc1C(N)=O 798085544 RJJQCSZJDVYDNW-UHFFFAOYSA-N 304.777 3.373 10 10 DGCE C[C@H](N[C@@H]1COc2ccc(F)cc2C1)c1ccc(F)cc1O 808729136 HPZXXGLOIMUARK-HZMBPMFUSA-N 305.324 3.325 10 10 DGCE C[C@H](N[C@H]1CNCC[C@@H]1C)c1cc(Cl)c(Cl)cc1O 817969549 WXABKQFQVYRFHT-RVBZMBCESA-N 303.233 3.348 10 10 DGCE Oc1c(F)cc(Cl)cc1CN[C@H]1C[C@@H](O)c2ccccc21 827179450 YBDBPZDNHSJUPS-LSDHHAIUSA-N 307.752 3.453 10 10 DGCE Cc1cc(O)c(CN[C@H]2CCC[C@@H](C(=O)N(C)C)C2)c(Cl)c1 840897261 LLYKVQKYMJUCJY-OLZOCXBDSA-N 324.852 3.091 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@@H]2CNc3ccccc3C2)cc1 844906963 XBHYZYYKXCVALT-XFHJGTJQSA-N 307.441 3.392 10 10 DGCE CO[C@@H](COC(=O)/C=C/c1ccc(O)c(O)c1)C1CCCCC1 849745223 MOOIRZDUCYFZPG-VMSUTVGLSA-N 320.385 3.250 10 10 DGCE COc1cc(CN[C@H]2CCC[C@H](CO)C2)c(O)c(C(C)(C)C)c1 850326636 APTWJWLZUZWQCA-ZFWWWQNUSA-N 321.461 3.339 10 10 DGCE COc1ccc(N2CCC(NC[C@H]3CCC[C@@H](C)O3)CC2)cc1 850379397 NQFDNPZGCKCJHT-DNVCBOLYSA-N 318.461 3.211 10 10 DGCE C[C@]1(CCNCc2cc(Cl)cc([N+](=O)[O-])c2O)CC1(F)F 850381049 VAJPQVLTCDSJPP-LBPRGKRZSA-N 320.723 3.479 10 10 DGCE CCO[C@H]1C[C@H](N[C@@H](C)c2ccc(Br)cc2O)C1 850515348 WVCQRBCFIJDZJX-DLOVCJGASA-N 314.223 3.373 10 10 DGCE COc1ccc(CNC(=O)CCCCCCSC)c(O)c1 861489657 HVOSNOQYTDAZFH-UHFFFAOYSA-N 311.447 3.331 10 10 DGCE CC(C)(NCc1ccc(F)c(F)c1O)[C@H](O)c1ccccc1 895663602 YZIYZAWJYPVNJB-MRXNPFEDSA-N 307.340 3.272 10 10 DGCE C[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H](C)S1 896701034 MAAMRCBHKDMHSE-IUCAKERBSA-N 323.439 3.279 10 10 DGCE C[C@H]1C[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)CCS1 922837319 SIFADIFUJCMQPG-ZFWWWQNUSA-N 324.465 3.036 10 10 DGCE C=C/C=C\CCNC(=O)NCc1c(O)ccc2c1CCCC2 1254871973 NGTYETRLGOFSGT-ARJAWSKDSA-N 300.402 3.203 10 10 DGCE CN1CCCc2cc(CNC(=O)[C@@H]3CCC[C@@H](F)C3)ccc21 1325880211 STLSUWCTJUTRNJ-HZPDHXFCSA-N 304.409 3.214 10 10 DGCE C[C@H](NCc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1O 1460636248 GPMXQHXWOFNPPG-VIFPVBQESA-N 308.284 3.429 10 10 DGCE C[C@H](NC(=O)[C@]1(O)CCCC(C)(C)C1)c1ccc(N(C)C)cc1 1467260835 UZQSRUAQFJIXOP-LIRRHRJNSA-N 318.461 3.261 10 10 DGCE CC(F)(F)c1ccc(C(=O)NCc2cccc(O)c2O)cc1 1471642170 MNGWMOSJALVQGT-UHFFFAOYSA-N 307.296 3.140 10 10 DGCE CCc1ccnc(C(=O)NCc2c(O)ccc3ccccc23)c1 1558554579 SKYMOHISJRYASC-UHFFFAOYSA-N 306.365 3.433 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cnn(C2CC2)c1 1623549712 IVFPSXHYOKIULH-UHFFFAOYSA-N 324.428 3.090 10 10 DGCE CCCOc1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 1624385148 WCDFCXOFKFQVIQ-UHFFFAOYSA-N 301.342 3.068 10 10 DGCE C[C@@H](NC(=O)Cc1ccc(OC(F)F)cc1)c1ccccc1O 1635793638 AVIKIGFZCOLZSA-LLVKDONJSA-N 321.323 3.414 10 10 DGCE COc1cc(N(C)C[C@@H]2CCCC(C)(C)O2)cc(OC)c1OC 1641778498 LYDUQZXAYFIROG-AWEZNQCLSA-N 323.433 3.496 10 10 DGCE CCN1N=C(c2ccc(OC)cc2)/C(=C\c2ccccc2)C1=O 1865649923 LTRNHBHKXBPGBW-GHRIWEEISA-N 306.365 3.345 10 10 DGCE CCCC1=NN(CCC)C(=O)/C1=C/c1ccc(OC)cc1OC 1865678756 BZVAYZCTPRCLBZ-RVDMUPIBSA-N 316.401 3.496 10 10 DGCE CO[C@]1(CNCc2cccc(Cl)c2O)CCCSC1 1879922426 VHRYFFUETWSLGJ-AWEZNQCLSA-N 301.839 3.047 10 10 DGCE CCN(CCC[C@H](N)c1ccccc1O)C(=O)OC(C)(C)C 1928467291 JBBXLSKCRRDWHG-AWEZNQCLSA-N 308.422 3.429 10 10 DGCE CC(C)(C)OC(=O)NCC[C@@H]1C[C@H]1COc1ccc(N)cc1 1952755431 QUFOUBZYKDZZBR-OLZOCXBDSA-N 306.406 3.199 10 10 DGCE C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1CCCCN=[N+]=[N-] 1962302091 XNHRVPHYJJMWNX-OLZOCXBDSA-N 311.430 3.312 10 10 DGCE C[C@H]1C[C@H](CNCc2ccccc2O)CN1C(=O)OC(C)(C)C 1967774538 DPJSNRTUONDDOP-UONOGXRCSA-N 320.433 3.127 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCN(Cc2csc(Br)n2)C1 1981443673 GQTBWIAQSVUTDY-ZETCQYMHSA-N 302.201 3.038 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](Oc2ccc(N)cc2)[C@H]2CC[C@H]21 1992520813 YAUSIFFGQAHKSW-XHSDSOJGSA-N 318.417 3.436 10 10 DGCE COCCNCc1ccc(N(C)Cc2ccccc2)cc1OC 1994422519 RLCXJYITOSZNBQ-UHFFFAOYSA-N 314.429 3.068 10 10 DGCE C[C@H]1N(Cc2ccccc2)CC[C@@]1(N)c1ccc2c(c1)CCN2C 1999508647 ZIFRECHIAMKROO-IERDGZPVSA-N 321.468 3.127 10 10 DGCE CC[C@H](COC)N(C)Cc1c(O)cccc1Br 2001426787 HOOTVQDRAIXICN-SNVBAGLBSA-N 302.212 3.012 10 10 DGCE C[C@@H](O)c1ccc(N(C)C[C@H]2C[C@H]2F)cc1Br 2014704487 HWLOKYUQMPYIOI-JRKPZEMJSA-N 302.187 3.297 10 10 DGCE CN(C)c1ccc([C@](C)(N)c2ccnn2Cc2ccccc2)cc1 2024705615 DTGYSJNZUIUACM-FQEVSTJZSA-N 320.440 3.220 10 10 DGCE CN(Cc1cc(Br)ccc1O)[C@@H]1CCCOCC1 2028795815 BCNVAVXDSSPVBS-CYBMUJFWSA-N 314.223 3.156 10 10 DGCE CN[C@H](C)c1ccc(N2C[C@H]3C=C[C@H]2C3)cc1Br 2029374799 UKNDSVQGWPPYOK-WOPDTQHZSA-N 307.235 3.494 10 10 DGCE CNCc1ccc(N2C[C@@H](C)C(F)(F)C2)cc1Br 2040578209 YEIUXMUWIVFHEY-SECBINFHSA-N 319.193 3.260 10 10 DGCE Oc1cc(Br)ccc1CN[C@H]1[C@@H]2[C@H]1CCC2(F)F 2051222399 DGVHQARAOKGSRC-ADEWGFFLSA-N 318.161 3.288 10 10 DGCE NCc1cc(F)c(N2CC(C3CCC3)C2)cc1Br 2052005233 GXYNKQCHIWYTGY-UHFFFAOYSA-N 313.214 3.283 10 10 DGCE FC[C@H]1CCN1c1ccc(CNC2CC2)c(Br)c1 2063212626 DQFTYBPCOICTIH-CYBMUJFWSA-N 313.214 3.249 10 10 DGCE Cc1nn(Cc2c(O)cccc2F)cc1C(=O)OC(C)(C)C 2070252434 NEZQODAYLQGVAJ-UHFFFAOYSA-N 306.337 3.040 10 10 DGCE NCc1cc(F)c(N2CC[C@H](c3nccs3)C2)cc1Cl 2177386027 UWJWDHXHKHWLHS-VIFPVBQESA-N 311.813 3.388 10 10 DGCE C[C@H]1C[C@@H](N(C)c2ccc(CN)c(C(F)(F)F)c2)CS1 2189469818 VKKWLXDIVZCLKJ-JOYOIKCWSA-N 304.381 3.494 10 10 DGCE COc1ccc(N2C[C@@H](N)CC[C@@H]2C(F)(F)F)cc1Cl 2203010872 OPKDGCQVAHBMNU-QPUJVOFHSA-N 308.731 3.207 10 10 DGCE COc1ccc(N2CCC(C)=C(Br)C2)c(CO)c1 2220425592 AOOYMBKDAMYVOI-UHFFFAOYSA-N 312.207 3.067 10 10 DGCE CSc1ncc(CNc2cc(C)ccc2C(N)=S)s1 2269227790 ZJDQFLWMCKNCCH-UHFFFAOYSA-N 309.485 3.420 10 10 DGCE COCCNCc1cnc(Sc2cc(F)cc(F)c2)s1 2281351606 XLYNCSGBCOKMIN-UHFFFAOYSA-N 316.398 3.309 10 10 DGCE CSc1ncc(CN2C[C@H]3CCCN3C[C@H]2C(C)C)s1 2284675610 BTCABXGKDHEYQU-OCCSQVGLSA-N 311.520 3.170 10 10 DGCE Cc1cc(O)c([C@H](C)N2CCN(CCF)CC2)cc1Cl 2286443554 LJGRYCKZYCXGKR-LBPRGKRZSA-N 300.805 3.002 10 10 DGCE O=C(C=Cc1cncc(F)c1)N1CCCc2cc(F)c(F)cc21 2297490835 ZZRZCLNQNINOPM-UHFFFAOYSA-N 318.298 3.492 10 10 DGCE Cc1cncc(C=CC(=O)NCc2ccc(N3CCCC3)cc2)c1 2302406935 BOQINDQWHWNRQE-UHFFFAOYSA-N 321.424 3.320 10 10 DGCE Cc1ccc(CN[C@@H]2[C@H]3[C@H]4C[C@@H]2C[C@H]43)c(O)c1Br 2327798798 MODFDVLJAGNCTC-XJGUIPMBSA-N 308.219 3.207 10 10 DGCE Nc1ccc(CCC(=O)N[C@@H]2CCCc3sccc32)cc1 61330445 WGLMJIJPRSPEQY-OAHLLOKOSA-N 300.427 3.457 10 10 DGCE CC[C@@H](C)CN(C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 110326263 LVXHVDPTQTUWNY-OJXHRBAXSA-N 316.445 3.041 10 10 DGCE CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C/C=C\c1ccco1 33291554 NAHMJGVTAFLHKN-GCLJLESYSA-N 322.320 3.340 10 10 DGCE CNCc1cc(F)c(N2CC[C@@H](SC(F)F)C2)c(F)c1 2365714545 TWFMVYGTENKRFP-SECBINFHSA-N 308.344 3.219 10 10 DGCE COc1cc(N)c(N2CCC(C(F)(F)F)CC2)cc1OC 213774523 XBRITGZQAMPHTR-UHFFFAOYSA-N 304.312 3.065 10 10 DGCE Cc1cc(C(=O)NCCc2ccc(N)cc2)c2ccccc2n1 194413827 FUCBTINXOHSZEH-UHFFFAOYSA-N 305.381 3.098 10 10 DGCE CSC1(CN[C@H](C)c2ccc(N3CCOCC3)cc2)CC1 193832949 KEIPSMYOCXDHHG-CQSZACIVSA-N 306.475 3.069 10 10 DGCE CCO[C@@H]1C[C@H](N(C)C(=O)Cc2ccc(N)cc2)C12CCCC2 236883050 VHQYVVXOFMCHIB-DLBZAZTESA-N 316.445 3.008 10 10 DGCE C[C@@H]1CN(Cc2ccccc2)CCCN1c1ccc(CN)cc1 382702100 WEUSFMQFQOYHAZ-QGZVFWFLSA-N 309.457 3.246 10 10 DGCE COCCN(Cc1ccccc1)c1ccc(CN)c(F)c1F 384354209 DXKFYWNQFBITKW-UHFFFAOYSA-N 306.356 3.077 10 10 DGCE CC(=O)c1cc(Cl)cc(CN[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c1O 528759672 VFEXKFPYCRYCEW-HFJLCZBOSA-N 311.809 3.150 10 10 DGCE C[C@H]1C[C@@H](C)CN(c2cc3c(cc2Cl)[C@@H](N)C(=O)N3)[C@H]1C 253092397 HBRAXFAUSLJBCE-TURATIMXSA-N 307.825 3.163 10 10 DGCE CN(C)CCCCNCc1ccc(N(C)C)cc1C(F)(F)F 279868485 JJZQYTFOTCIDHE-UHFFFAOYSA-N 317.399 3.203 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)NCC1CC(c2ccccc2)C1 283631052 IDRVFBDHEHYCHW-VQHVLOKHSA-N 323.392 3.421 10 10 DGCE COc1cc(O)c(CN2C[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2)cc1OC 294977938 GHYLNPJMMQMTLG-WMHQRMGPSA-N 315.413 3.053 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C)c1cn[nH]c1 802266691 UHZIFZNJIBFKES-ZDUSSCGKSA-N 316.405 3.188 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCC[C@@H]2CNCC[C@@H]21 715023120 SDGVNTXCXFIRPI-YGRLFVJLSA-N 315.244 3.273 10 10 DGCE CC(C)[C@H](NC[C@@H](N)c1ccc(N(C)C)cc1)c1cccnc1 817944141 XOZWQGRAHZERDQ-MOPGFXCFSA-N 312.461 3.134 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)NCC2CCC(F)CC2)c1 828389099 FBGVAUDSQDMOFI-PNESKVBLSA-N 324.396 3.289 10 10 DGCE Cc1cnn(CCN(Cc2ccco2)Cc2ccccc2O)c1 732202606 YQFGDECYGGDBGG-UHFFFAOYSA-N 311.385 3.193 10 10 DGCE C[C@@H](N[C@@H](CCN(C)C)c1cccnc1)c1c(O)cccc1F 903379517 XIZASDFQPBTWGG-CJNGLKHVSA-N 317.408 3.270 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)Cc2ccco2)c1 830540693 NGXQJFQISURXCK-RYUDHWBXSA-N 303.358 3.050 10 10 DGCE Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1cc(O)cs1 731912628 VTFDMDRZAITNNP-UHFFFAOYSA-N 315.350 3.283 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)NC1CCC(C(F)F)CC1 838103661 RYUOGXLNVZGBDB-KRXBUXKQSA-N 311.328 3.051 10 10 DGCE COc1ccc(O)c([C@@H](C)N[C@@H](C)Cc2ccn(C(C)C)n2)c1 845973094 XAYNPNWYUCMRFI-UONOGXRCSA-N 317.433 3.460 10 10 DGCE CCN(CC)c1ccc(CN[C@@H]2CCC[C@@H](CO)C2)cc1F 840977465 IEFPOZPWLDLNRH-HZPDHXFCSA-N 308.441 3.313 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)NCC[C@@H]2CC[C@H]3C[C@@H]23)c1 924387977 NURSYXOBATVTPP-QCQGSNGOSA-N 318.417 3.197 10 10 DGCE COc1ccc(N2CC[C@@H](NCc3ccc(Cl)nc3)C2)cc1 850346462 GEDSFAUVINCNKC-CQSZACIVSA-N 317.820 3.112 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)NCC[C@@H]1CC[C@@H]2C[C@H]12 924391692 PXMWSZMHFSDCTH-LZLYRXPVSA-N 315.461 3.330 10 10 DGCE CC(C)(C)C(=O)CCN(Cc1ccccc1O)C[C@H]1CCCO1 753747651 LEKIAJQNHZSEFW-MRXNPFEDSA-N 319.445 3.379 10 10 DGCE Oc1cc2c(cc1CN1C[C@]34CCCC[C@]3(COC4)C1)CCC2 853623727 IXUWEEJBRYLZPE-BGYRXZFFSA-N 313.441 3.274 10 10 DGCE CCN(CC)c1ccc(/C=C(/C(=O)OC)c2ncccn2)cc1 752886159 HQOPHJXADLDXHI-DTQAZKPQSA-N 311.385 3.036 10 10 DGCE C[C@@H](Cc1ccoc1)N[C@@H](C)c1ccc(N2CCOCC2)cc1 766541761 VDFVSKGANPVSMG-HOTGVXAUSA-N 314.429 3.398 10 10 DGCE O=C(NCC1CCc2ccccc2CC1)c1cc(O)cs1 862398972 SVQBAVBIJDTYPD-UHFFFAOYSA-N 301.411 3.379 10 10 DGCE Cc1ccc([C@@H]2C[C@H]2NC(=O)N2Cc3cccc(O)c3C2)cc1 875688528 UGDWILJHEIHLDJ-DOTOQJQBSA-N 308.381 3.282 10 10 DGCE CCOC(=O)CCC1CCN(Cc2cc(F)ccc2O)CC1 779024324 DIGMMBPDDJYGDW-UHFFFAOYSA-N 309.381 3.087 10 10 DGCE c1cc(CNCCCSc2nccs2)c2c(c1)COCC2 883012398 DVYLVHRWGQHNCH-UHFFFAOYSA-N 320.483 3.488 10 10 DGCE C[C@@]12CNC[C@H]1CN(c1ccc(OCc3ccccc3)cc1)C2 1899859969 DIQZEWYDEOSXTM-PXNSSMCTSA-N 308.425 3.311 10 10 DGCE C[C@@H]1[C@@H](Nc2ccc(N)cc2)CCCN1C(=O)OC(C)(C)C 1959377851 UGGDBLPWVBPXKU-DOMZBBRYSA-N 305.422 3.469 10 10 DGCE Oc1ccc(Br)cc1CNCC[C@H]1CCSC1 704812926 FLRRHTWTAQSZSR-JTQLQIEISA-N 316.264 3.388 10 10 DGCE CCCN[C@@]1(CO)CCC[C@@H]1CCSc1nccs1 93623196 YTZRENNGYXXIKI-TZMCWYRMSA-N 300.493 3.156 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)c2cocc2Br)CC1 2258141075 GWIGKKDBSFCJTC-MRVPVSSYSA-N 313.155 3.347 10 10 DGCE FC(F)C[C@@H]1COCCN1Cc1ccc(N2CCCC2)cc1 1347178912 LLGGKZPDGPWNET-MRXNPFEDSA-N 310.388 3.143 10 10 DGCE CC[C@@H](C)OCC(=O)N(C)Cc1ccc(N2CCCC2)cc1 1351162708 JGDSBDCYYIASNT-OAHLLOKOSA-N 304.434 3.060 10 10 DGCE Cc1ccc(/C=C2\C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)o1 308337 BXUBDHGZWHUYOW-MDWZMJQESA-N 316.744 3.011 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)c1ncnc2c1CCC2 1458086596 XTNYDUYQRXCPEC-UHFFFAOYSA-N 308.429 3.202 10 10 DGCE Cc1cc(C(=O)NCc2cccc(O)c2O)c(C)cc1Cl 1471642247 PCKMPOGGAQOEAO-UHFFFAOYSA-N 305.761 3.298 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(C)cc1F 1627026664 SFEVURSSSBRHIS-UHFFFAOYSA-N 308.349 3.255 10 10 DGCE COc1ccc(CNC[C@@](C)(NC(=O)C(C)C)C2CC2)cc1C 1714160596 UKUDVVZKGFFTCV-LJQANCHMSA-N 318.461 3.034 10 10 DGCE C[C@H](NC(=O)C(C)(C)N1CCCCC1)c1ccc(N(C)C)cc1 1633315838 YAHMBQQMFHKLPD-HNNXBMFYSA-N 317.477 3.194 10 10 DGCE CCC[C@@H](Cc1ccccc1)NC(=O)c1c(F)ccc(O)c1O 1654285890 DECSBTGXSQBOCP-ZDUSSCGKSA-N 317.360 3.378 10 10 DGCE CCC[C@@H](C(=O)O)N(C)Cc1cc(Cl)cc(Cl)c1O 1964723056 CBOZXQDQQLXJRS-NSHDSACASA-N 306.189 3.384 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)/C=C/c2ccc(C)o2)c1 157848884 SSQUTYPSFMOISP-CRALRDPISA-N 301.342 3.193 10 10 DGCE CC(=O)N[C@H](C)CN=NNc1ccc(N2CCC(C)CC2)cc1 1860492730 HITKORLIUYRQTC-CQSZACIVSA-N 317.437 3.227 10 10 DGCE CCCN1N=C(C)/C(=C\c2ccc(OCC)c(OC)c2)C1=O 1865669391 LHHUAILCEWQQPD-GXDHUFHOSA-N 302.374 3.105 10 10 DGCE CN(CCN=[N+]=[N-])Cc1ccc([N+](=O)[O-])cc1Br 1912143672 JFAVWEKKOXSAKN-UHFFFAOYSA-N 314.143 3.099 10 10 DGCE CN[C@@H](c1ccccc1O)C1CC(CNC(=O)OC(C)(C)C)C1 1915920766 QWOJKJJRPXWASE-SEEARECTSA-N 320.433 3.204 10 10 DGCE CC[C@@H](CN(C)CCc1ccc(N)cc1)NC(=O)OC(C)(C)C 1981719884 AHWCZXXMSCCYSH-INIZCTEOSA-N 321.465 3.046 10 10 DGCE Cc1ccc([C@H](C)N[C@H]2CC[C@@H]2NC(=O)OC(C)(C)C)c(O)c1 1986711700 FYVVKFKEIOIEEF-QEJZJMRPSA-N 320.433 3.407 10 10 DGCE CNCc1ccc(N2C[C@H](F)C[C@@H]2C)c(Br)c1 1997687590 ZQFOTJGZMIADAC-GXSJLCMTSA-N 301.203 3.105 10 10 DGCE COC(=O)[C@@](C)(CCCCSc1nccs1)NC1CC1 45596042 NWYGXEUQHKDFKB-CQSZACIVSA-N 314.476 3.089 10 10 DGCE CC[C@](C)(COC)NCc1cc(Br)ccc1O 2014279605 WQHLBWBJMYJNBC-CYBMUJFWSA-N 302.212 3.059 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)cc1 2014348205 OBUWZTMFDJZOIS-MMOPVJDHSA-N 321.468 3.417 10 10 DGCE CCc1ccc(S(=O)(=O)N2CCC[C@H](N=[N+]=[N-])CC2)s1 2155549714 BEWPSODKZCHNEG-JTQLQIEISA-N 314.436 3.164 10 10 DGCE CC(C)OC1CN(c2ccc([C@@H](C)N)cc2Br)C1 2040863652 RRKSWVLJUYLLHU-SNVBAGLBSA-N 313.239 3.082 10 10 DGCE CCNCc1cc(F)c(N2C[C@H](C)S[C@H](C)C2)c(F)c1 70384457 UTOJZECMJKTCKM-PHIMTYICSA-N 300.418 3.405 10 10 DGCE CS[C@@H]1CCN(c2ccc([C@H](C)N)c(Br)c2)C1 382957107 NHZOCRLCXJZMGG-GXSJLCMTSA-N 315.280 3.411 10 10 DGCE Cc1nn(Cc2cccc(Br)c2O)c(N)c1C1CC1 2079599914 IAAHTZDCZXYGNE-UHFFFAOYSA-N 322.206 3.168 10 10 DGCE C[C@@H](CCN(C)C(=O)OC(C)(C)C)NCc1ccccc1O 1172944349 SDGTUWDIXAABCO-ZDUSSCGKSA-N 308.422 3.127 10 10 DGCE C[C@@H]1C[C@H]2CN(Cc3cc(Cl)cc(Cl)c3O)CCN2C1 2181243065 RUYCFESHPYCEKP-MFKMUULPSA-N 315.244 3.225 10 10 DGCE Oc1cc(Br)ccc1CNC[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32 2070857847 JOWOUYLUFULMGG-UYDZFFJVSA-N 308.219 3.146 10 10 DGCE CCN1CCc2cc([C@@H](N)c3occc3Br)ccc21 2106796691 TUGXEBVTYLJOGM-CQSZACIVSA-N 321.218 3.473 10 10 DGCE CC[C@H]1CN(c2ccc(OC)cc2Br)[C@H](C)CN1 2221629820 ZBQPPZVWWUGBLW-MNOVXSKESA-N 313.239 3.034 10 10 DGCE Cc1cc(O)c([C@@H](C)N2CCO[C@@H](CCF)C2)cc1Cl 2286444393 OHMJKIXKCGYIIS-NEPJUHHUSA-N 301.789 3.475 10 10 DGCE COc1ccc(N2CC[C@H](N)C[C@H]2C(F)(F)F)cc1Cl 2281011307 FNUZRKDEXXVFDS-UFBFGSQYSA-N 308.731 3.207 10 10 DGCE CC(C)[C@H]1COCCN1Cc1c(O)cccc1Br 1140101453 SQVDCZYNTMUSLA-CYBMUJFWSA-N 314.223 3.012 10 10 DGCE Cc1cc(F)c2c(c1)CCCN2C(=O)C=Cc1cnn(C)c1C 2304247326 FWRGRGCMUTYNGC-UHFFFAOYSA-N 313.376 3.169 10 10 DGCE C[C@@H](c1cc(Br)ccc1O)N(CCF)CCF 2301719447 FRCXMQDICGUDCB-VIFPVBQESA-N 308.166 3.457 10 10 DGCE Oc1cc(Br)ccc1CN[C@H]1C[C@@H]2C[C@H]1C[C@H]2F 2308607494 YRLZGSXDSFOKKR-DJIHRAIXSA-N 314.198 3.381 10 10 DGCE CC(=O)N(C(=O)NC=Cc1cccc(F)c1)c1ccc(N)cc1 2325903372 HDGBMJANACCYHO-UHFFFAOYSA-N 313.332 3.141 10 10 DGCE CCCCOCCNCc1ccc(C)c(Br)c1O 2327622939 BSXWIGVFWRLJDQ-UHFFFAOYSA-N 316.239 3.369 10 10 DGCE Cc1ccc(CN2CCn3cccc3C2)c(O)c1Br 2352954558 ZBVORMDTRZNHTA-UHFFFAOYSA-N 321.218 3.280 10 10 DGCE Oc1ccc(Cl)cc1CNc1cnn(C[C@@H]2CCCO2)c1 37137773 JVVQABBLZBQQBF-AWEZNQCLSA-N 307.781 3.033 10 10 DGCE COc1cc2c(cc1OC)N(Cc1ccccc1F)CCN2 57925322 FGMMEAUBJFWRLC-UHFFFAOYSA-N 302.349 3.275 10 10 DGCE CC(=O)C1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1 90756306 MKQPJCWFCZBYKA-UHFFFAOYSA-N 305.548 3.329 10 10 DGCE CCCOc1ccc(CN(C)Cc2c(C)noc2C)c(O)c1 91812773 VSTARVCLCOWLGO-UHFFFAOYSA-N 304.390 3.418 10 10 DGCE Cc1cc(C(=O)NO[C@H]2CCCCO2)c(C)n1-c1ccccc1 128247522 FTVBKDHLBMSBFN-KRWDZBQOSA-N 314.385 3.282 10 10 DGCE Cc1ccc(/C=C/CC(=O)NCCc2ccc(O)c(O)c2)cc1 158060110 XLUOXLHTBRNGOP-NSCUHMNNSA-N 311.381 3.168 10 10 DGCE CNC(=O)c1cc(NCc2cccc(C)c2O)ccc1Cl 165026457 RTZRNPJLTXSEMZ-UHFFFAOYSA-N 304.777 3.326 10 10 DGCE CN(Cc1ccc(N)cc1)Cc1cncc(Br)c1 167080773 DTHYOAMQCRCDQS-UHFFFAOYSA-N 306.207 3.058 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)C(=O)Nc1cc(Cl)ccc1O 170245180 NJIOSVPFSHZNIA-VIFPVBQESA-N 321.760 3.274 10 10 DGCE COc1cc(C)cc(CN2CCOC3(CCCCC3)C2)c1O 178895029 IPTIVZCWFPABOW-UHFFFAOYSA-N 305.418 3.244 10 10 DGCE O=C(c1ccc(O)c(O)c1)N1CCC(Cc2ccccc2)CC1 244447807 YZYVTUWMETZIEB-UHFFFAOYSA-N 311.381 3.193 10 10 DGCE Cc1cnc(Br)c(NCc2ccc(O)c(O)c2)c1 311034662 TYSQBZYSNOOYOR-UHFFFAOYSA-N 309.163 3.176 10 10 DGCE C[C@H]1CN(Cc2ccccc2)CCCN1c1ccc(CN)cc1 382702098 WEUSFMQFQOYHAZ-KRWDZBQOSA-N 309.457 3.246 10 10 DGCE CC(C)N[C@@]1(C(=O)O)CCC[C@@H](CSc2nccs2)C1 403809342 MCRHQKGIAQJKTR-RISCZKNCSA-N 314.476 3.247 10 10 DGCE Cc1cc(O)c(CNC[C@H](n2cccn2)C(F)(F)F)cc1C 527743202 MHRQWNBVICMRNP-AWEZNQCLSA-N 313.323 3.099 10 10 DGCE C[C@@H](NCc1ccc(Br)cc1O)c1ccccn1 691445317 PCBBEMVXFOPMIP-SNVBAGLBSA-N 307.191 3.401 10 10 DGCE CO[C@@H]1CC[C@H]1N(C)c1ccc([C@@H](C)N)c(Br)c1 724225526 XJQMFHPBDKPRKK-OWYVNGRQSA-N 313.239 3.082 10 10 DGCE O=C(NCCc1ccc(O)c(O)c1)c1cc2sccc2s1 762267478 POTOPEZICBMAAI-UHFFFAOYSA-N 319.407 3.347 10 10 DGCE CCCN(c1ccc(CN)cc1)[C@@H](C)Cc1cccc(OC)n1 775140095 HZFOHSMFDUPWRQ-HNNXBMFYSA-N 313.445 3.397 10 10 DGCE C[C@H]1CCN(Cc2cc(Br)ccc2O)C[C@H]1F 779148221 GYBCNLOWEXVILV-JOYOIKCWSA-N 302.187 3.335 10 10 DGCE OC[C@H]1CC(F)(F)CN1Cc1cc(-c2ccccc2)ccc1O 783703016 OFVDKJVFBASHFQ-MRXNPFEDSA-N 319.351 3.261 10 10 DGCE C[C@@H]1CO[C@@H](C(F)(F)F)CN1Cc1cc2c(cc1O)CCC2 795694243 OSAAHCFVSUVOIY-MEBBXXQBSA-N 315.335 3.033 10 10 DGCE C[C@H](C(=O)NCc1cc(Br)ccc1O)C(C)(F)F 816654149 VRDPSAFDODWDJO-SSDOTTSWSA-N 322.149 3.062 10 10 DGCE CCN(CC)c1ccc(CN(CCO)C2CCSCC2)cc1 825129732 BXNXBRWUPZYCHB-UHFFFAOYSA-N 322.518 3.223 10 10 DGCE C[C@H](C[C@@H](O)c1ccco1)NC/C=C\c1ccc(N(C)C)cc1 835042165 DUDDUZSKJGYHIW-CLUARGJDSA-N 314.429 3.461 10 10 DGCE C[C@@H]1CN(C/C=C/c2ccc(N(C)C)cc2)CC2(CCC2)O1 843431704 BUBJQFCCUMSJIB-MQDFFIGUSA-N 300.446 3.409 10 10 DGCE COc1cc(CN[C@@H]2CCn3ccnc32)c(O)c(C(C)(C)C)c1 850312480 OPHJEGXYZHETDY-OAHLLOKOSA-N 315.417 3.129 10 10 DGCE C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)C1CCC(F)CC1 852633559 SXGNHUZCHLESGW-JEYLPNPQSA-N 321.440 3.469 10 10 DGCE CCC[C@@H](C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)C(C)C 855234013 QOFJGKWTJOOYQX-MAUKXSAKSA-N 318.461 3.462 10 10 DGCE Cn1ncc(C(F)(F)F)c1CNCc1c(O)cccc1Cl 858210769 DISCYGWQJMTSPW-UHFFFAOYSA-N 319.714 3.088 10 10 DGCE C[C@@H](N[C@H](C)c1ccnn1C)c1ccc(Br)cc1O 866613562 IECRKAXTGUSQFS-NXEZZACHSA-N 324.222 3.300 10 10 DGCE C[C@H](NC(=O)NCCCOC1CCCC1)c1ccccc1O 868174696 INEDIXQXFTXUAU-ZDUSSCGKSA-N 306.406 3.102 10 10 DGCE CC(C)Cc1nc(C(=O)N2Cc3cccc(O)c3C2)cs1 871200856 KPVPTCMHYFVPLX-UHFFFAOYSA-N 302.399 3.203 10 10 DGCE CCNc1ccc(C)cc1C(=O)NCc1cc(OC)ccc1O 896361751 OAOJOJXNDXEIQF-UHFFFAOYSA-N 314.385 3.071 10 10 DGCE CCc1noc([C@@H]2CC[C@@H](NCc3c(O)cccc3Cl)C2)n1 922864193 CADVDUHBGZBVIE-GHMZBOCLSA-N 321.808 3.417 10 10 DGCE C[C@@H](N[C@H]1C[C@@H]2OC(C)(C)O[C@@H]2C1)c1cc(Cl)ccc1O 927059454 COSMJDWCSPHAFN-VGKMCQHDSA-N 311.809 3.379 10 10 DGCE O=C(NCc1c(O)cccc1F)[C@@H]1C[C@@]12CCc1ccccc12 928706750 ZBZVPHFTSVSHQF-HNAYVOBHSA-N 311.356 3.052 10 10 DGCE COc1ccc2cc(NC(=O)Cc3ccc(O)c(O)c3)ccc2c1 1140350553 MIIJHEDQWMBZRY-UHFFFAOYSA-N 323.348 3.441 10 10 DGCE CSc1cc(C(=O)NCc2cccc(Cl)c2O)ccn1 1305069485 HBSNZQUMTSYIQK-UHFFFAOYSA-N 308.790 3.093 10 10 DGCE C/C(=C/c1cccnc1)C(=O)N1CCCn2nc(C)c(Cl)c21 1339112807 AOWAYGNRWVNOQX-LUAWRHEFSA-N 316.792 3.080 10 10 DGCE O[C@@H]1CCc2ccccc2[C@@H]1NCc1ccc(N2CCCC2)cc1 1339914203 MHKRGCOHLAECMB-RTWAWAEBSA-N 322.452 3.425 10 10 DGCE CO[C@@H]1CC[C@H](NCc2cc(C)cc(Br)c2O)C1 1343464729 QFOALMBNSKIEIM-NWDGAFQWSA-N 314.223 3.120 10 10 DGCE O=C(CCCc1ccc(F)c(F)c1)NCc1cc(O)ccc1O 1455356042 GRHZKRKGLANTNS-UHFFFAOYSA-N 321.323 3.015 10 10 DGCE CC1(C)CC[C@@H](CC(=O)Nc2c(Cl)ccc3nonc23)OC1 1459789348 QYGCDMUEFAOQOA-VIFPVBQESA-N 323.780 3.410 10 10 DGCE COC(=O)COc1ccc(N(C)Cc2ccc(C)c(C)c2)cc1 1459937848 UPNSSVQEZPLBHF-UHFFFAOYSA-N 313.397 3.492 10 10 DGCE Cc1cc(CC(=O)NCc2ccncc2)c(C)n1-c1ccccc1 1463619803 XYEJLGQQZHVGHP-UHFFFAOYSA-N 319.408 3.348 10 10 DGCE Cc1cc(NC(=O)Cc2ccc(O)c(O)c2)c2cccnc2c1C 1465560605 XTUWEPITEXYZBR-UHFFFAOYSA-N 322.364 3.444 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)C2C(C)(C)C2(C)C)cc1 1531374395 AWTJQIGYIGOKKG-UHFFFAOYSA-N 318.461 3.272 10 10 DGCE C[C@H]1CCc2ccccc2N1C(=O)/C=C\c1ccc(O)c(O)c1 1540435736 XHGPLWXNJADGNW-ZWXCPPHNSA-N 309.365 3.479 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc2c(c1)CCCC2=O 1570652006 WJKGLIGHTHVSFT-UITAMQMPSA-N 323.348 3.269 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H]2c2ccncc2)cc1 1629277110 CXGQPVWOCBHMFW-OAHLLOKOSA-N 323.356 3.221 10 10 DGCE O=C(CCc1ccc(Cl)cc1)NCc1cc(O)ccc1O 1633594851 AQBMEVKHDWGBNH-UHFFFAOYSA-N 305.761 3.000 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)N[C@@H](C)CN(C)C)c1 1640222695 QPXSHRZUKZMOCO-AWEZNQCLSA-N 313.445 3.082 10 10 DGCE COCCCN=NNc1ccc(I)cc1 1860491392 OLWDZCOQOJOSBP-UHFFFAOYSA-N 319.146 3.107 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1C[C@H]([C@H](N)c2ccccc2O)C1(C)C 1896846407 LOENERGFZDOGNY-BPLDGKMQSA-N 320.433 3.331 10 10 DGCE Cc1cnc(C(=O)N2CCC[C@H](N=[N+]=[N-])C2)c(Br)c1 1911243849 JHQIQVSOCHQCNN-VIFPVBQESA-N 324.182 3.067 10 10 DGCE C[C@](NCCCN=[N+]=[N-])(C(=O)O)c1ccc(Cl)cc1F 1912161533 KNQFRQTWIDAUDI-GFCCVEGCSA-N 300.721 3.069 10 10 DGCE C[C@@H]1CC[C@@H]([C@H](N)c2ccccc2O)N(C(=O)OC(C)(C)C)C1 1936987875 WOHCGMRRKAVTBX-IVMMDQJWSA-N 320.433 3.428 10 10 DGCE CN(c1ccc(CN)cc1F)[C@H]1CC[C@H]1OCc1ccccc1 1939611090 LJJHKYZQHNVYON-RBUKOAKNSA-N 314.404 3.468 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1[C@@H](N)c1ccccc1O 1939907576 DKCDSSQKOBAIDY-GVAFMPQTSA-N 318.417 3.038 10 10 DGCE Oc1c(Br)cccc1CNC[C@H]1CC[C@H](F)C1 1945253483 HIVYCNOIPIQDRR-ONGXEEELSA-N 302.187 3.383 10 10 DGCE CCCSC1CN(c2ccc(CO)c(Br)c2)C1 1948319019 AZBGHOQYSWOSNK-UHFFFAOYSA-N 316.264 3.273 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](F)C[C@@H]1c1cc(N)ccc1O 1953054336 XAVDRDYGVXJJEP-GXFFZTMASA-N 310.369 3.385 10 10 DGCE OCc1ccc(N2CC(OCc3ccccc3)C2)c(Cl)c1 1955639105 UHWMFHPHLCNBLY-UHFFFAOYSA-N 303.789 3.238 10 10 DGCE C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[C@@H](O)c1ccc(N(C)C)cc1 1977960771 WJOVUNDGYGKXOA-HEHGZKQESA-N 322.449 3.335 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@H]3C[C@H]2[C@H]2C[C@H]32)cc1Br 2041533879 UTWDGEGATVKERC-UVBAXCRRSA-N 307.235 3.313 10 10 DGCE CN[C@@H](c1ccccc1O)c1nc(C)ccc1Br 2049929913 HZZOWEDYXXWCIU-ZDUSSCGKSA-N 307.191 3.167 10 10 DGCE Cc1cc(Br)ncc1CN1CC[C@@H](CN=[N+]=[N-])C1 2057192407 HCUQQVWKZBVKCB-JTQLQIEISA-N 310.199 3.285 10 10 DGCE C[C@@H](c1cc([N+](=O)[O-])ccc1O)n1ncc(C2CCCC2)c1O 2070260367 YNGSRWJDXXGOKR-JTQLQIEISA-N 317.345 3.469 10 10 DGCE COc1ccc([C@@H](C(C)C)n2nc(C)c(CN)c2Cl)c(O)c1 2079970024 MPIDMOZEVMFYDP-OAHLLOKOSA-N 323.824 3.263 10 10 DGCE C[C@]12CCO[C@H]1[C@H](NCc1cc(Cl)cc(Cl)c1O)C2 2097847230 PGAHJBSEVYHINH-KWCYVHTRSA-N 302.201 3.356 10 10 DGCE CCCN[C@@H](C)c1cnc(SCCCC(=O)OC)s1 2103565280 CPNBUHZZSLZCIV-JTQLQIEISA-N 302.465 3.249 10 10 DGCE C[C@H](O)c1ccc(N(C)Cc2c(Cl)cnn2C)c(Cl)c1 2168145863 SXIRNTDRXJLDQU-VIFPVBQESA-N 314.216 3.417 10 10 DGCE CN(C[C@H]1CCCCCO1)c1cc(Cl)c(CN)cc1F 2177376337 DHBIIGSOIWOHKO-GFCCVEGCSA-N 300.805 3.333 10 10 DGCE NCc1ccc(N2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)cc1 2213940459 GKZXBBHTYOKMDI-OYRHEFFESA-N 321.468 3.389 10 10 DGCE Cc1cccc(O)c1CNC[C@@H]1CC[C@H]1NC(=O)OC(C)(C)C 2244715100 SOESPKPTAQTNKO-DZGCQCFKSA-N 320.433 3.094 10 10 DGCE COCCNCc1cnc(SC[C@@H]2CC[C@H](C)C2)s1 2268694510 ARCUAOCIAYOFSS-NWDGAFQWSA-N 300.493 3.407 10 10 DGCE Oc1cccc(Cl)c1CN1CCC[C@H](OCC(F)F)C1 2279282847 HAVCLCGVEOYBDU-JTQLQIEISA-N 305.752 3.292 10 10 DGCE Cn1cccc1C=C1SC(=S)N(c2ccc(O)cc2)C1=O 2296883094 NFFPAKYOUWCSSW-UHFFFAOYSA-N 316.407 3.137 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc2ncccc2c1 2307986376 RLJVQUHPRILFOW-UHFFFAOYSA-N 306.321 3.298 10 10 DGCE Oc1cccc(Cl)c1CNCc1coc(C(F)(F)F)n1 2368262442 CUYMKAMRBFFRQR-UHFFFAOYSA-N 306.671 3.342 10 10 DGCE CO[C@]1(C(F)F)C[C@H](CNCc2c(O)cccc2Cl)C1 2369075275 IOGVMSMHULULAP-DEZZCRIOSA-N 305.752 3.196 10 10 DGCE C[C@@H](NCc1ncc(C(F)F)s1)c1c(O)cccc1O 2369601434 AJGLTTDXDBWSCJ-SSDOTTSWSA-N 300.330 3.343 10 10 DGCE CCCC[C@@]1(C)CN([C@@H](C)CN)c2cc(OC)c(OC)cc2N1 75280802 SQWSGYKYKOMMDG-UGSOOPFHSA-N 321.465 3.232 10 10 DGCE COc1ccc(N(Cc2nnc(C)n2C2CC2)C(C)C)cc1F 170653275 TYJSKEFWBKAJGL-UHFFFAOYSA-N 318.396 3.484 10 10 DGCE C[C@@H](N[C@@H]1CCN(C(=O)C2CCCCC2)C1)c1ccccc1O 183562365 MCALKBGYTBLMMO-GDBMZVCRSA-N 316.445 3.224 10 10 DGCE COc1cc(Cl)cc(CNCC(F)(F)C(F)F)c1O 191773930 YAWPEPBTSGWOGM-UHFFFAOYSA-N 301.667 3.044 10 10 DGCE CC[C@@H](CNC(=O)OC(C)(C)C)N[C@@H](C)c1cc(O)ccc1O 227726588 DRVFDZJAQRFVGH-RYUDHWBXSA-N 324.421 3.052 10 10 DGCE COC[C@@H]1CCN1C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 294384760 PKXWPIPZIVOUCO-INIZCTEOSA-N 316.376 3.094 10 10 DGCE CC[C@H](N[C@H]1CCCNC1=O)c1cc(Cl)cc(Cl)c1O 296365914 IZSKOPBNWPKBFO-RYUDHWBXSA-N 317.216 3.018 10 10 DGCE N[C@@H](c1ccc(OCc2ccccc2)cc1O)[C@@H](O)C1CCC1 396748832 OCJJGDODCLYNPU-OALUTQOASA-N 313.397 3.132 10 10 DGCE CO[C@H]1CC[C@@H](C)N(Cc2cccc(Br)c2O)C1 687217328 RHTGBGQYNYEDIA-PWSUYJOCSA-N 314.223 3.154 10 10 DGCE C[C@@H]1CN(Cc2cc(Cl)ccc2O)C[C@@](C)(C(F)F)O1 698930093 YRDBZNBOBKENDQ-OTYXRUKQSA-N 305.752 3.290 10 10 DGCE CCOCCCN(C)Cc1cc(Br)cc(F)c1O 715774376 VIYOSHWJFYNSIG-UHFFFAOYSA-N 320.202 3.152 10 10 DGCE COC(C)(C)[C@@H](C)NCc1cc(Br)ccc1O 720197481 VJCCCYFOXPNYIF-SECBINFHSA-N 302.212 3.058 10 10 DGCE Cc1ccc(/C=C\S(=O)(=O)Nc2ccc(O)cc2C)cc1 740701185 YXTMXTPDRZAOOA-KTKRTIGZSA-N 303.383 3.422 10 10 DGCE COc1c([N+](=O)[O-])ccc(CN2CC[C@]3(CC[C@@H](C)C3)C2)c1O 775054246 MFYKUKOWERIZNS-PXAZEXFGSA-N 320.389 3.321 10 10 DGCE CC[C@H](NCC[C@@H](C)[S@@](C)=O)c1cc(Cl)ccc1O 775522758 ZPKNZYJVECBROV-KPGGICDASA-N 303.855 3.243 10 10 DGCE Cc1cc(Br)c(O)c(CN(C[C@@H](C)O)C(C)C)c1 781912765 QLLXQKWLYWGXAZ-LLVKDONJSA-N 316.239 3.054 10 10 DGCE C/C(=C/C(=O)NCc1cc(Br)ccc1O)C1CC1 804735696 DHVPLQVIZUTZMK-TWGQIWQCSA-N 310.191 3.127 10 10 DGCE CCC1(C)CN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 812483054 CKULAPBGNDIHIR-SOFGYWHQSA-N 304.346 3.017 10 10 DGCE Cc1ncccc1/C=C\C(=O)NCc1ccc2c(c1)CCCN2C 822868071 SFEWOYQLNNMULE-NTMALXAHSA-N 321.424 3.102 10 10 DGCE CC1(C)CCC[C@@H]1[C@@H]1CCN(C(=O)c2cccc(O)c2O)C1 844033598 PTWGKVAKJZDJHL-TZMCWYRMSA-N 303.402 3.386 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@H](C)c3ccccc3O)C2)cc1 850489816 XEBZYAHFMNNNNZ-HUUCEWRRSA-N 312.413 3.330 10 10 DGCE COC(=O)Cc1ccnc(N[C@H](C)c2ccc(N(C)C)cc2)c1 853484887 WXRJMHJSLZHTIF-CYBMUJFWSA-N 313.401 3.036 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CCC3(COC3)C2)c1 856194833 XACFFHJINHASFZ-UHFFFAOYSA-N 324.424 3.265 10 10 DGCE COc1cc(C)cc(CN[C@H](C2CCC2)[C@@H]2CCCO2)c1O 895449323 GRBVASGZKWPKNU-DOTOQJQBSA-N 305.418 3.147 10 10 DGCE O=C(NCCOC1CCCC1)c1cc2cc(O)c(O)cc2s1 895796218 JOOQYULUKVLXMZ-UHFFFAOYSA-N 321.398 3.002 10 10 DGCE CCOc1ccc(CN2CCC(CC)(N3CCC3)CC2)c(O)c1 895827244 IHTRZHUSTNTBTR-UHFFFAOYSA-N 318.461 3.241 10 10 DGCE CCc1noc([C@@H]2CC[C@@H](N[C@@H](C)c3c(O)cccc3F)C2)n1 927054523 VRTCQNVMNZDFPB-QJPTWQEYSA-N 319.380 3.464 10 10 DGCE C[C@@H](NC1([C@@H]2CCCCO2)CC1)c1cc([N+](=O)[O-])ccc1O 927161163 PGLJVIFFPPSKFU-ABAIWWIYSA-N 306.362 3.053 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)c1cccc2c1O[C@H](C)C2 1126079743 GLHWUAOVMDXQKV-CQSZACIVSA-N 324.424 3.314 10 10 DGCE CCCCO[C@@H](C)C(=O)NCc1c(O)ccc2ccccc12 1179030050 XWYMXBMSNLHYOO-ZDUSSCGKSA-N 301.386 3.367 10 10 DGCE COc1cc(N2CC[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])cc1OC 1187647837 PQMCNXGSHKCGKS-VXGBXAGGSA-N 308.378 3.484 10 10 DGCE CCC1(CC)[C@@H](OC)C[C@H]1NCc1cc(F)cc(C(C)=O)c1O 1194090023 CRZGKKDMVZPFOB-CVEARBPZSA-N 323.408 3.417 10 10 DGCE CN(C)c1ccc(/C=C/CN2CC[C@@H]3OCCC[C@@H]3C2)cc1 1344439553 WKVJHZFYGMYAEJ-GVKBTVHKSA-N 300.446 3.267 10 10 DGCE CO[C@H](C(=O)NCc1ccc(N(C)C)cc1C)C1CCCCC1 1360273208 GVEGSARFLOOBEV-SFHVURJKSA-N 318.461 3.273 10 10 DGCE CN(C(=O)/C=C/c1cnc2ccccc2n1)c1ccc(Cl)nc1 1436086305 CDWYZKJOJJTKSO-RMKNXTFCSA-N 324.771 3.354 10 10 DGCE O=C(CCSc1ccc(F)cc1)NCc1ccc(O)cc1O 1451769989 NVJDAZAWGHBFEA-UHFFFAOYSA-N 321.373 3.036 10 10 DGCE O=C(c1ccc(F)c2cccnc12)N1Cc2cccc(O)c2C1 1455045135 VUCBZVOXCZYUQK-UHFFFAOYSA-N 308.312 3.236 10 10 DGCE O=C(Cc1ccc(Cl)cn1)Nc1c(Cl)ccc2nonc12 1459787971 IJPGZHFFWGJGMW-UHFFFAOYSA-N 323.139 3.106 10 10 DGCE C[C@H](NCCC(=O)Nc1ccc(F)cc1)c1ccccc1O 1473723392 FACATHCRZARGQC-LBPRGKRZSA-N 302.349 3.211 10 10 DGCE CCC[C@@H](C)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 1539707381 RCXHWQOUAIWBBG-QAPCUYQASA-N 319.493 3.298 10 10 DGCE COCCN(Cc1cc(F)cc(C(C)=O)c1O)c1ccccc1 1617947952 QGYFZBKNWRVVFC-UHFFFAOYSA-N 317.360 3.387 10 10 DGCE CO[C@@]1(C)C[C@H]1NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 1633603795 JCWRUVWHYPFYCP-AEFFLSMTSA-N 316.376 3.140 10 10 DGCE CC(=O)Nc1cccc(C(=O)N[C@@H](C)c2ccccc2O)c1C 1643745339 LSAQMNRLQNJDOR-LBPRGKRZSA-N 312.369 3.150 10 10 DGCE COc1ccc(N(CCCO)Cc2ccccc2)cc1OC 1648667747 CILMBGZKTLPTSP-UHFFFAOYSA-N 301.386 3.093 10 10 DGCE COc1nc(C)cc(N(Cc2ccc(N(C)C)cc2)C2CC2)n1 1655004602 TYKZQBRVADVHSU-UHFFFAOYSA-N 312.417 3.029 10 10 DGCE Cc1cccc2sc(=Nc3ccc(C(=O)O)cc3O)[nH]c12 1859858113 BCDBNFVGKUJHOL-UHFFFAOYSA-N 300.339 3.174 10 10 DGCE CCOC(=O)[C@H]1CCCN(/N=N/c2cc(C)ccc2OC)C1 1860486746 NJMXOWIFPOIPLZ-BZSIDJSBSA-N 305.378 3.277 10 10 DGCE Cc1nc(C)c([C@H](C)NCc2ccc(Br)cc2O)[nH]1 1893361066 PZPHQMKFUDBMHH-QMMMGPOBSA-N 324.222 3.345 10 10 DGCE CO[C@H]1CCN(c2ccc([C@H](C)O)cc2Br)[C@@H]1C 1914236546 OFCPQNBKTFXZLK-BFVZDQMLSA-N 314.223 3.116 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@]1(C)[C@H](N)c1ccccc1O 1928468278 UWYLSKIXMBGZSB-RHSMWYFYSA-N 306.406 3.182 10 10 DGCE C[C@H](N[C@@H]1CC[C@H]1OCc1ccccc1)c1cc(O)ccc1O 1939573404 DWHWTZIIBZRZNV-BOFPYLFWSA-N 313.397 3.496 10 10 DGCE CN(CCC(F)F)Cc1cc(Br)cc(F)c1O 1947512803 MWDXQTYWVLTUQY-UHFFFAOYSA-N 312.129 3.381 10 10 DGCE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N(C)CCCN=[N+]=[N-] 1962287668 LOUQTHYRIKOGCV-CHWSQXEVSA-N 311.430 3.264 10 10 DGCE C[C@H](O)CN(Cc1ccccc1)c1cc(Cl)c(CN)cc1F 1974800518 GMKLXYVEDWJOBX-LBPRGKRZSA-N 322.811 3.325 10 10 DGCE NCc1cc(F)c(N2CC(OCc3ccccc3)C2)cc1Cl 1974801859 YCAJVXCSBHQLHD-UHFFFAOYSA-N 320.795 3.343 10 10 DGCE CC(C)(C)OC(=O)N1CCC12CC(CNc1ccc(N)cc1)C2 1977705756 HCABLXMGSHVRIN-UHFFFAOYSA-N 317.433 3.470 10 10 DGCE CN(C)c1ccc([C@@H](N)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 1977944494 GPVDHIUCFAEKQO-GOEBONIOSA-N 319.449 3.009 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@](Nc3ccc(N)cc3)(C2)C1 1981688919 QXGTUTNDVWECTO-SCLBCKFNSA-N 317.433 3.470 10 10 DGCE CC(C)(C)OC(=O)N[C@@]12CCCC[C@H]1CN(CCCN=[N+]=[N-])C2 1982242027 KENSSRDSVFVSTE-XJKSGUPXSA-N 323.441 3.456 10 10 DGCE N[C@H]1CCc2cc(N(Cc3ccccc3)[C@@H](CO)C3CC3)ccc21 2012710479 WGELIAAMIZZGTR-SFTDATJTSA-N 322.452 3.410 10 10 DGCE Nc1ccc(CCN2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)cc1 2015060057 HHZFYLYDRQRBKV-CTNGQTDRSA-N 321.468 3.018 10 10 DGCE CCCN(CCOC)c1ccc([C@H](C)N)cc1Br 2036714418 KJKGHMOCUFHYOZ-NSHDSACASA-N 315.255 3.332 10 10 DGCE Oc1c(Br)cccc1CN[C@H]1C[C@H]2[C@@H](C1)C2(F)F 2045615313 ZBZDVGWSPSZFFM-OWUUHHOZSA-N 318.161 3.288 10 10 DGCE CC[C@H](c1ccc(OC)cc1O)n1nc(C)c(CO)c1Cl 2079970227 PGMNPPDIHFEDMX-CYBMUJFWSA-N 310.781 3.051 10 10 DGCE CN(CCCn1cccc1)c1ccc(CN)c(Br)c1 2115187765 LVNWDHUPXQANEU-UHFFFAOYSA-N 322.250 3.236 10 10 DGCE O=C(O)C12CCC(CC1)N2Cc1cc(Cl)cc(Cl)c1O 2143581850 KWORAHDXCBBEID-UHFFFAOYSA-N 316.184 3.281 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@@H]1C[C@H]2O[C@H]1[C@@H]1C[C@@H]21 2144067082 ZTQRYHLTHHBGFC-ZVNHADLESA-N 314.212 3.212 10 10 DGCE CCN[C@@](CSc1nccs1)(CC(C)C)C(=O)OCC 2207916452 NRSDPZCGSFUQHL-CQSZACIVSA-N 316.492 3.193 10 10 DGCE CC[C@@H](O)CN(Cc1ccccc1)c1ccc2c(c1)OCCO2 2210886608 PTVZGCGACBIHSJ-QGZVFWFLSA-N 313.397 3.235 10 10 DGCE COc1ccc(Br)c(CN[C@H](C)[C@@H]2C[C@@H]2C)c1O 2220462539 MUWJWHHOCBBWLB-IVZWLZJFSA-N 314.223 3.297 10 10 DGCE COC(=O)c1cnc(Sc2nc3cccnc3s2)s1 2268593286 XRJGDHWYIUJPNP-UHFFFAOYSA-N 309.397 3.086 10 10 DGCE NCc1ccc(N2CCC[C@@H](OCC(F)F)C2)cc1Cl 2279227480 IIUDGLLCVLPGGQ-GFCCVEGCSA-N 304.768 3.049 10 10 DGCE COC(=O)C1CCN(N=Nc2cc(Cl)ccc2OC)CC1 2318775952 QMFHBCVDDHGAGT-UHFFFAOYSA-N 311.769 3.232 10 10 DGCE CC[C@@]1(NCc2ccc(C)c(Br)c2O)CCOC1 2327630984 UOGBGOLTBBPOFJ-CQSZACIVSA-N 314.223 3.122 10 10 DGCE COC1(C(F)F)CC(CNCc2cnc(SC)s2)C1 2343216144 UHFCZHSHSNPCQD-UHFFFAOYSA-N 308.419 3.015 10 10 DGCE COc1ccc(CNc2cc(O)ccc2Br)c(O)c1 2344262320 UYLOMSBZYDSCOK-UHFFFAOYSA-N 324.174 3.481 10 10 DGCE CC[C@H](c1cc(Br)ccc1O)N1CCC(N)CC1 20521457 FMEYERCPFFTLQU-CYBMUJFWSA-N 313.239 3.029 10 10 DGCE CCn1cc(NCc2cc(Cl)cc(Cl)c2O)ccc1=O 37773671 KCGVQFXIWNWYJF-UHFFFAOYSA-N 313.184 3.493 10 10 DGCE COc1ccc(CNC(C)C)cc1CSc1nncs1 81869585 YXJGOXXRDWFGPE-UHFFFAOYSA-N 309.460 3.337 10 10 DGCE CCCN(Cc1ccc(N)cc1)C(=O)c1ccncc1Cl 91448945 GOVPXUWIERTMSU-UHFFFAOYSA-N 303.793 3.370 10 10 DGCE C[C@@H]1CC(NCc2cc(Br)ccc2O)C[C@@H](C)O1 128751859 BNKUIQPJOSACDW-NXEZZACHSA-N 314.223 3.200 10 10 DGCE CCc1oc(C(=O)N[C@H](C)c2cc(OC)ccc2O)cc1C 131218198 JIJMOFSQLTYAIK-LLVKDONJSA-N 303.358 3.356 10 10 DGCE Oc1cccc(Cl)c1CNc1ccc(-n2cncn2)cc1 149164793 IWXVLOKCPDHYEZ-UHFFFAOYSA-N 300.749 3.238 10 10 DGCE CNCc1ccc(N2CCCO[C@H](C)C2)c(C(F)(F)F)c1 163712020 WMFNVRMRBXEXHU-LLVKDONJSA-N 302.340 3.040 10 10 DGCE CC[C@@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2O)CCC1=O 229790868 RXORRDNRODFROW-LLVKDONJSA-N 309.793 3.049 10 10 DGCE CNCc1ccc(N2C[C@H]3CCC[C@H]3C2)cc1Br 234436402 QKPRFRJAVPWHTI-BETUJISGSA-N 309.251 3.405 10 10 DGCE CC[C@H](N[C@H]1CCO[C@H]1C)c1cc(Br)ccc1O 251136224 ZJHCCHLRKOXBPW-XDTLVQLUSA-N 314.223 3.373 10 10 DGCE CCN(C[C@@H](C)OC)c1ccc(CNC)c(Br)c1 382794867 UCYDNDWJIWQTCZ-LLVKDONJSA-N 315.255 3.030 10 10 DGCE CCCN(Cc1ccccc1)c1ccc2c(c1)NC(=O)[C@@H]2NC 383699409 ASMCFPBHPNKBJI-GOSISDBHSA-N 309.413 3.316 10 10 DGCE [N-]=[N+]=NCCCCNC(=O)c1cscc1Br 404755067 APYBSKOMTYSUJK-UHFFFAOYSA-N 303.185 3.331 10 10 DGCE O=C(/C=C/c1cnccn1)N(CC(F)(F)F)c1ccccc1 493681246 JPQZMBKVNSULFS-VOTSOKGWSA-N 307.275 3.085 10 10 DGCE CNCc1cc(F)c(N(C)[C@@H]2CC[C@H](C)SC2)c(F)c1 689581373 AQTFLZJCIJRKDL-CMPLNLGQSA-N 300.418 3.405 10 10 DGCE CCCN(CCn1cc(Br)cn1)c1ccc(N)cc1 692366249 HTPGNCALJWAGGA-UHFFFAOYSA-N 323.238 3.144 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCO[C@H](C2CC2)C1 777223179 WAELFDMGSFVKPL-ZDUSSCGKSA-N 302.201 3.310 10 10 DGCE C[C@H]1C[C@@H](C)CN(C(=O)NCc2ccc(N(C)C)cc2)[C@H]1C 788690274 HYTKCSUDOSMQSI-ILXRZTDVSA-N 303.450 3.329 10 10 DGCE CC(C)[C@H](C)C(=O)NCc1cc(Br)ccc1O 804735827 GHEGYCMJBHEMAX-VIFPVBQESA-N 300.196 3.063 10 10 DGCE CC[C@H](C)[C@H](C)C(=O)NCc1cc(Br)ccc1O 804739788 SYSCKNROXHQTHF-UWVGGRQHSA-N 314.223 3.453 10 10 DGCE Oc1ccc(Cl)c(F)c1CNCc1nccc(C(F)F)n1 808434994 HBFJSMMJVPZXPV-UHFFFAOYSA-N 317.698 3.202 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H](C)[C@@H]1CCCO1 824234184 FWPHLLHOZFEVRU-YJBOKZPZSA-N 318.461 3.306 10 10 DGCE COc1cc(O)c(CN[C@H](C)C2CCC(F)CC2)cc1OC 827538067 MWWTXKARIYVMPW-LKSINWNRSA-N 311.397 3.416 10 10 DGCE CN(C)c1ccc(/C=C/CNCCC(=O)Nc2ccccc2)cc1 835040516 QJURABQSWGAFMW-VOTSOKGWSA-N 323.440 3.384 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H]1C[C@@H]1C(F)F 839921017 GHSIFWYEGXXZTH-UGFHNGPFSA-N 310.388 3.009 10 10 DGCE COC(=O)Cc1cccc(NCc2c(O)cc(C)cc2Cl)n1 840885599 XZMSGXWPJOITPY-UHFFFAOYSA-N 320.776 3.077 10 10 DGCE Cc1cc(O)c(CN2CC[S@@](=O)C(C)(C)CC2)c(Cl)c1 840950313 IUJSIFKVRCTCPC-HXUWFJFHSA-N 315.866 3.087 10 10 DGCE CN(C)c1ccc(CN(CCO[C@H]2CC2(F)F)C2CC2)cc1 851732004 GIXWGZPNZLYUKY-INIZCTEOSA-N 310.388 3.141 10 10 DGCE CCCCCCC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855232579 SDDFLZOYVLAZDL-HNNXBMFYSA-N 304.434 3.361 10 10 DGCE CN(C)c1ccc(CNc2ccc(F)nn2)c(C(F)(F)F)c1 857225401 POTIEEACAWSJAG-UHFFFAOYSA-N 314.286 3.313 10 10 DGCE COc1ccc(N2CCC(NC[C@H]3CC(C)(C)CO3)CC2)cc1 872108173 XFZDNXWTZMOXPX-GOSISDBHSA-N 318.461 3.069 10 10 DGCE Cc1cc(C)c(CC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)s1 907276191 ZZIGVKCGXGYYAP-NSHDSACASA-N 319.426 3.066 10 10 DGCE Cc1ccc(O)c(CNC(=O)[C@H]2CCOc3c(F)cccc32)c1 1147962509 WXNRRLPTRBAPGO-AWEZNQCLSA-N 315.344 3.022 10 10 DGCE Cc1cc(Br)cc(CN2C[C@@H](F)C[C@H]2C)c1O 1233105955 FKMDBEAVRCXPRF-SKDRFNHKSA-N 302.187 3.395 10 10 DGCE C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)NCc1cc(Cl)ccc1O 1248715134 HHMWQJWOOHKPTO-JYILRKAJSA-N 308.809 3.137 10 10 DGCE Nc1ccc(Cc2noc([C@@H]3CC[C@@H]4[C@H](C3)C4(F)F)n2)cc1 1333767103 RPAPSGVPQSDXPA-RTXFEEFZSA-N 305.328 3.391 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)Nc1ccc(CO)cc1 1517790465 FDGGJZAHISBOTE-UHFFFAOYSA-N 314.385 3.329 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)[C@H]1Cc2ccc(F)cc21 1627073161 KKUAEHZDPDEOGJ-INIZCTEOSA-N 322.339 3.036 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc2c(O)nccc12 1640655706 XGTOAICMYLAOOD-ALCCZGGFSA-N 322.320 3.004 10 10 DGCE Cc1ccccc1C1(NC(=O)Cc2ccc(O)c(O)c2)CCC1 1644354775 FUMMMTBYBUBAKE-UHFFFAOYSA-N 311.381 3.144 10 10 DGCE COc1cc(NC(=O)c2cc(C)n(-c3ccccc3C)c2C)[nH]n1 1645497286 NLSQJYZYZJNCEX-UHFFFAOYSA-N 324.384 3.387 10 10 DGCE CN(CCc1ccc(Br)cn1)Cc1ccccc1O 1877523749 NPOOVFLKJOXSNW-UHFFFAOYSA-N 321.218 3.224 10 10 DGCE COC1CC(N(C)c2ccc([C@@H](C)N)cc2Br)C1 1914800164 PREPNNLSQQCJDP-OIKLOGQESA-N 313.239 3.082 10 10 DGCE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@H](N)c2ccccc2O)C1 1938981784 TXQPDOHKMXULDN-XNRPHZJLSA-N 320.433 3.428 10 10 DGCE CNC[C@H](C)CN(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 1978854107 TUOXZCLEMHKXST-AWEZNQCLSA-N 321.465 3.003 10 10 DGCE CN(c1cc(Br)c(CN)cc1F)[C@H]1CC1(C)C 2004423929 XKLWSDUTYIIIBQ-LBPRGKRZSA-N 301.203 3.282 10 10 DGCE C[C@@H](N)c1ccc(N(C)Cc2ccon2)cc1Br 2042309663 DJHSCAXMULNXRZ-SECBINFHSA-N 310.195 3.093 10 10 DGCE CC[C@]12C[C@@H]1CN(c1ccc(CN)c(Br)c1F)C2 2048605295 KRPFTAXFMVEAJK-QMTHXVAHSA-N 313.214 3.283 10 10 DGCE NCc1ccc(N2[C@H]3CC[C@@H]2C[C@H](F)C3)cc1Br 2072030582 ZADQEHUUZZXLFY-ZSBIGDGJSA-N 313.214 3.377 10 10 DGCE CC(C)N[C@](CO)(CCCSc1nccs1)C(C)C 2087809793 RHMAMZPMCOTQCC-AWEZNQCLSA-N 302.509 3.401 10 10 DGCE CN1CCCc2cc([C@@H](N)c3ccoc3Br)ccc21 2106832109 WUVNTGSAJRTDJG-CQSZACIVSA-N 321.218 3.473 10 10 DGCE Cc1cc(N(C)Cc2cc(Br)cn2C)ccc1CO 2114686861 SCZPQOBHCIETPH-UHFFFAOYSA-N 323.234 3.225 10 10 DGCE COc1cc(Cl)cc(CNCc2ccc(Cl)cn2)c1O 2146234180 HQLYVHNYTOOWHP-UHFFFAOYSA-N 313.184 3.392 10 10 DGCE CN(c1cc(Cl)c(CN)cc1F)[C@H]1CCCCC[C@H]1O 2177389811 VNOQPOMYCLTGQP-DZGCQCFKSA-N 300.805 3.068 10 10 DGCE CC(C)(C)NCCCNCc1cc(Br)ccc1O 2256018412 MVJQAHMNQWBRBC-UHFFFAOYSA-N 315.255 3.023 10 10 DGCE O=C(O)[C@@]1(F)CCCN(Cc2cc(Cl)cc(Cl)c2O)C1 2280520153 HHMVOSOPBXAHLQ-CYBMUJFWSA-N 322.163 3.088 10 10 DGCE CN1CCCc2cc(CNC(=O)C=Cc3ccc(O)cc3)ccc21 2308086283 JMZLLXMCUNYAFN-UHFFFAOYSA-N 322.408 3.104 10 10 DGCE Oc1ccc(Br)cc1CN[C@@H]1[C@@H]2[C@H]1CCC2(F)F 2309461396 GFSDTSFBDNRIAP-USWWRNFRSA-N 318.161 3.288 10 10 DGCE CC[C@@H](COC)N(C)Cc1ccc(C)c(Br)c1O 2327580316 DLPYIYNKAFMRBL-LBPRGKRZSA-N 316.239 3.320 10 10 DGCE CC1=NN(C)C(=O)C1=Cc1ccc(OC(=O)c2ccccc2)cc1 2332134069 GSTJHXSLQHUWMU-UHFFFAOYSA-N 320.348 3.137 10 10 DGCE Cc1ccc(CN[C@@H](C)c2cnccn2)c(O)c1Br 2352944375 GTXMAKRXXIVFRI-JTQLQIEISA-N 322.206 3.104 10 10 DGCE CC(C)c1ccccc1NS(=O)(=O)Cc1ccc(N)cc1 21049334 SAHZNOPDQKGPST-UHFFFAOYSA-N 304.415 3.334 10 10 DGCE Nc1ccc(Oc2ccccc2S(=O)(=O)C(F)(F)F)cc1 38056409 AEXRJYRNWGXYHT-UHFFFAOYSA-N 317.288 3.355 10 10 DGCE COC[C@@H](C)N(C)c1c(F)cc(CNCC(C)C)cc1F 62737326 FZZSHMDPRSFWPB-GFCCVEGCSA-N 300.393 3.182 10 10 DGCE CCc1cc([C@H]2CCCN2Cc2cccc(OC)c2O)on1 64984411 IQDIYIXWPYXMFJ-CQSZACIVSA-N 302.374 3.288 10 10 DGCE O=Cc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1 66613184 UDQSMEZONPKBKP-UHFFFAOYSA-N 308.381 3.029 10 10 DGCE CC(C)NCc1ccc(N(C)[C@@H](C)CO)c(C(F)(F)F)c1 122662951 CTLOXIRXUCVKRM-NSHDSACASA-N 304.356 3.020 10 10 DGCE Nc1ccc(CCNC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)cc1 152546758 NRTZOGYQIOJCTC-CVEARBPZSA-N 316.351 3.009 10 10 DGCE Cc1cc(Cl)cc(CN2CCCN(C(=O)C(C)C)CC2)c1O 179796933 AEEVWNVAIOEJPB-UHFFFAOYSA-N 324.852 3.044 10 10 DGCE COC[C@@H](C)N(C)Cc1ccc(OCc2ccccc2)cc1O 183009156 IMGUGVVUYAEUSS-OAHLLOKOSA-N 315.413 3.438 10 10 DGCE Cc1ccc([C@@H](C)NCCN2CCc3ccccc3C2=O)c(O)c1 191614678 ZJEXINPSHWFYEC-OAHLLOKOSA-N 324.424 3.050 10 10 DGCE Cc1ccc(O)c(CNCC[C@@H](C)NC(=O)OC(C)(C)C)c1 226647903 JLJOLUGTMDAFPN-CYBMUJFWSA-N 308.422 3.094 10 10 DGCE CCN(CC(C)(C)O)c1ccc([C@H](C)N)c(Br)c1 233420819 SIIUWWZTCDCVHI-JTQLQIEISA-N 315.255 3.066 10 10 DGCE O=[N+]([O-])c1cccc2c(O)c(I)sc12 307658588 SMPVGKQAOQIBSQ-UHFFFAOYSA-N 321.095 3.120 10 10 DGCE Oc1cccc2c1[C@@H](Nc1ccc(N3CCOCC3)cc1)CC2 324022820 QLTQGKLPVSLQHQ-KRWDZBQOSA-N 310.397 3.328 10 10 DGCE N[C@@H](c1cccs1)c1ccc(F)c(Br)c1O 396468583 YMDDIBVUKKAZHS-SNVBAGLBSA-N 302.168 3.403 10 10 DGCE C[C@@H]1CN(c2ccc(OC(F)(F)F)c(Cl)c2)CCCN1 401292820 MJVDLKXAGBFNLM-SECBINFHSA-N 308.731 3.427 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)c2cccn2Cc2ccccc2)C1 403627292 SWQMYBVMMQHFDK-HNNXBMFYSA-N 309.373 3.451 10 10 DGCE C/C=C\C[C@H](CO)N[C@H](C)c1cc(Br)ccc1O 588489793 ZUMHXGQEXISFSZ-YZKQYGISSA-N 314.223 3.132 10 10 DGCE C[C@H]1CCN(c2ccc([C@@H](C)N)c(Br)c2)CCO1 720430659 GIXNJBATQVCTSX-WDEREUQCSA-N 313.239 3.084 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCO[C@H]1CC 803389156 ACMLSPAKBUZJRV-WBVHZDCISA-N 305.418 3.336 10 10 DGCE O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCCC1(F)F 806432481 MSCCXEMQRJAISU-OAHLLOKOSA-N 323.387 3.274 10 10 DGCE C[C@H]1CCCCN1CCNCc1cc(Cl)c(F)cc1O 816535346 MLODQSGOXZPNKL-NSHDSACASA-N 300.805 3.149 10 10 DGCE CCOc1ccc(O)c(CN2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1 824695702 BHFCFEKFGLCFBD-ZHALLVOQSA-N 319.445 3.306 10 10 DGCE CCN(CC)C(=O)CCCNCc1c(O)cc(C)cc1Cl 840876200 OHDXBZAEXPFUHX-UHFFFAOYSA-N 312.841 3.092 10 10 DGCE Cc1cc(O)c(CN2CCC(n3ccnc3)CC2)c(Cl)c1 840912093 GPXQDOJHMOTKSL-UHFFFAOYSA-N 305.809 3.388 10 10 DGCE Cc1cc(O)c(CN[C@@H](CO)Cc2ccc(F)cc2)c(Cl)c1 840941674 HENQSSJZOLJXSX-CQSZACIVSA-N 323.795 3.186 10 10 DGCE COc1cccc(CNC[C@H]2CSc3ccccc3O2)c1O 842726632 KYEKYFNKODBZIM-ZDUSSCGKSA-N 317.410 3.044 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)C[C@@H]3CC[C@@H](C)C3)C2)cc1 855233997 QKBXQBKMPHHQGH-OAGGEKHMSA-N 316.445 3.216 10 10 DGCE Cc1ccc(C(=O)N2CCC(c3ccco3)CC2)c(O)c1O 855291527 JUVZTXJJRKCNRD-UHFFFAOYSA-N 301.342 3.019 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@@]3(C)C2)cc1 855841257 KHLUOQHZBKUUAP-YLJYHZDGSA-N 324.424 3.203 10 10 DGCE Cc1ccsc1[C@@H](CO)NCc1ccc2c(c1)CCCO2 921817215 JSPJQVNPVHWZKS-OAHLLOKOSA-N 303.427 3.205 10 10 DGCE COC[C@H](CN(C)c1cc(OC)c(OC)c(OC)c1)C(C)C 929706817 HLHRXPKWIXCPCS-ZDUSSCGKSA-N 311.422 3.067 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCC[C@H](F)C2)cc1 1118334212 VEVFKKGFVLGOKH-CABCVRRESA-N 322.424 3.118 10 10 DGCE C/C(=C/c1cccnc1)C(=O)N1CCCc2c1cccc2[N+](=O)[O-] 1127748494 PQPQCLQJXOKCKA-QBFSEMIESA-N 323.352 3.373 10 10 DGCE CCC[C@@H]1C[C@H]1C(=O)N(C)CCN(C)c1ccc(OC)cc1 1278289039 TZHCJKAVFGLAPB-RHSMWYFYSA-N 304.434 3.026 10 10 DGCE CCOC(=O)c1cnc(SCc2nc3ccccc3[nH]2)s1 1307137308 HNDJXCSORPFPEJ-UHFFFAOYSA-N 319.411 3.488 10 10 DGCE c1cc(N2CCCC2)ccc1CNC[C@]12C[C@H]1COC21CCC1 1355370361 KHGIEJMYOIOUDP-PKOBYXMFSA-N 312.457 3.336 10 10 DGCE C/C(=C/C(=O)N1CCCc2ccc(F)c(F)c21)c1cnccn1 1518262609 NBSIFZHKIODYPO-LUAWRHEFSA-N 315.323 3.138 10 10 DGCE O=C(NCc1ccc(O)cc1O)c1cccc(C(F)(F)F)c1 1630301504 CRURFWZREJEFSJ-UHFFFAOYSA-N 311.259 3.047 10 10 DGCE C[C@@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccccc1O 1643738459 BRUBINIIDKMLMU-SECBINFHSA-N 320.732 3.445 10 10 DGCE Oc1cccc(Br)c1CNC[C@@H]1C[C@H]2C=C[C@H]1C2 1658755996 MEUGQRJTQHETPO-SRVKXCTJSA-N 308.219 3.457 10 10 DGCE Nc1cccc(Br)c1N[C@H]1CCCC12CCNCC2 1876290333 HCZQDZPNZAWMHE-ZDUSSCGKSA-N 324.266 3.366 10 10 DGCE CCN(Cc1ccccc1)C(=O)CN1CCC[C@@H](CN=[N+]=[N-])C1 1912145615 JGTVDBJACBIOEV-INIZCTEOSA-N 315.421 3.057 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN(C(=O)c2cccc(Br)n2)C1 1912151269 FKZGJMYDYYGSAY-SECBINFHSA-N 324.182 3.007 10 10 DGCE CC(C)[C@H](CO)N(Cc1ccccc1)c1ccc(CO)cc1F 1915281933 UQBKIVPTLQVBTD-IBGZPJMESA-N 317.404 3.342 10 10 DGCE CCCN[C@@H](c1ccccc1O)C1CN(C(=O)OC(C)(C)C)C1 1936987552 SYISTUWZPXAOPF-MRXNPFEDSA-N 320.433 3.300 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](Nc2c(N)cccc2F)C1 1959370989 KOBAVBHWHRQUDE-WDEREUQCSA-N 309.385 3.266 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]2CN(CCCN=[N+]=[N-])CC[C@@H]21 1962301124 UHUMEJSRTXKOGZ-OLZOCXBDSA-N 309.414 3.018 10 10 DGCE CC(C)(C)OC(=O)N[C@@H](CNCc1ccccc1O)C1CCC1 1967756777 SSVWUHQQNZMUKD-HNNXBMFYSA-N 320.433 3.175 10 10 DGCE CC(C)(C)OC(=O)NC[C@]12CCC[C@@H]1CCN2CCCN=[N+]=[N-] 1991821874 UFZRJTZHADXJDT-CZUORRHYSA-N 323.441 3.456 10 10 DGCE Nc1ccc(CN2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1 1999620069 UYRDNOTVBIDDIT-NRFANRHFSA-N 321.468 3.367 10 10 DGCE Oc1c(F)cc(Br)cc1CN[C@@H]1[C@@H]2C[C@H]2[C@H]2C[C@H]21 2047794504 JTPNYYFKMOJIEJ-TUTUZKQUSA-N 312.182 3.038 10 10 DGCE OCc1cc(C2CCCCC2)nn1Cc1cccc(F)c1O 2070154956 DRMYZZPCZRRZMR-UHFFFAOYSA-N 304.365 3.316 10 10 DGCE Cc1cc(N2C[C@](C)(Br)[C@](C)(F)C2)ccc1CO 2084857543 VLZJNYXPQSUKQD-UONOGXRCSA-N 316.214 3.189 10 10 DGCE C[C@@H]1C[C@@H]2CN(c3cc(Br)c(CN)cc3F)C[C@H]21 2085513785 OIRRKXFKEGHTKA-IEBDPFPHSA-N 313.214 3.139 10 10 DGCE Cc1cccc(O)c1CNCc1nn(C)c(Cl)c1Cl 2104512158 GVHOYTZKAJNOST-UHFFFAOYSA-N 300.189 3.031 10 10 DGCE Cc1ccc(CN(C)c2ccc(CO)cc2Br)cn1 2110720170 KRQMSOXQNNCPGO-UHFFFAOYSA-N 321.218 3.281 10 10 DGCE CCn1cccc1CN(C)c1ccc(CN)cc1Br 2114548039 TVLNDVLMAHBECS-UHFFFAOYSA-N 322.250 3.366 10 10 DGCE Cc1cc(N2CCCSC[C@@H]2C(F)(F)F)ccc1CO 2143614509 LMPLIDBMYLITKX-CYBMUJFWSA-N 305.365 3.362 10 10 DGCE O=C(O)[C@@]12CC[C@@H](CN1Cc1cc(Cl)cc(Cl)c1O)C2 2198631126 VPWVMYQIGAMVPS-CLAHSXSESA-N 316.184 3.138 10 10 DGCE Nc1ccc(CCNc2cc(N)cc(Br)c2)cc1 2218879425 JIOSOVVRLSYPIJ-UHFFFAOYSA-N 306.207 3.268 10 10 DGCE C[C@@H](N)c1ccc(N(C)CC[C@@H]2CCO2)cc1Br 2263999367 RTNKXZWJRCEYOA-ZYHUDNBSSA-N 313.239 3.084 10 10 DGCE Oc1cccc(Br)c1CNc1ccc2ccnn2c1 2271518386 AEIDSQYOTNCYNU-UHFFFAOYSA-N 318.174 3.415 10 10 DGCE CCC[C@H]1CN(Cc2cnc(SC)s2)[C@H](C(C)C)CN1 2284678397 WAVMYBSUBRIYQF-JSGCOSHPSA-N 313.536 3.464 10 10 DGCE CCN1CCN(C(=O)C=Cc2cncc(F)c2)c2ccccc21 2297523782 YJTDZTMPWOMDNZ-UHFFFAOYSA-N 311.360 3.107 10 10 DGCE Oc1cc(Br)ccc1CN[C@H]1C[C@@H]2C[C@H]1C[C@@H]2F 2308607495 YRLZGSXDSFOKKR-UKJIMTQDSA-N 314.198 3.381 10 10 DGCE COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C/c1ccccc1F 6172136 GZRQFQBDTOVNDA-NTEUORMPSA-N 317.360 3.154 10 10 DGCE c1ccc(-n2cc(CCNCc3ccc4c(c3)CCO4)cn2)cc1 54174052 DEOLIFMJQDVDLA-UHFFFAOYSA-N 319.408 3.140 10 10 DGCE COc1ccc(N2CCN(Cc3ccc4cc[nH]c4c3)CC2)cc1 67980196 QZASZNJFIZLJFJ-UHFFFAOYSA-N 321.424 3.499 10 10 DGCE CC[C@H](C)[C@@H]1CN(c2ccc(OC(F)(F)F)cc2)CCN1 86122598 WLRSEMGRLUXSNU-FZMZJTMJSA-N 302.340 3.410 10 10 DGCE Cc1nc(CNCc2cc(Br)ccc2O)oc1C 114216602 LVXBUJRDKLBSKI-UHFFFAOYSA-N 311.179 3.049 10 10 DGCE C[C@H](CC(=O)O)[C@@H]1CCCN(Cc2c(O)cccc2Cl)C1 128843164 GYMGMZTYZJLPJN-VXGBXAGGSA-N 311.809 3.368 10 10 DGCE CC(C)CNCc1ccc(N2C[C@H]3CC[C@H](C2)O3)c(Cl)c1 164140343 MQATYJOOXMNNFB-HUUCEWRRSA-N 308.853 3.453 10 10 DGCE C[C@H]1CN(c2ccc(CNC(C)(C)C)cc2Cl)CC[C@@H]1O 166510236 MYIKJJBGKDRSFD-LRDDRELGSA-N 310.869 3.435 10 10 DGCE CCN(CC)c1ccc(CNC(=O)CC[C@H]2CCCOC2)cc1 175359049 AFMBDMKLFDXTCP-QGZVFWFLSA-N 318.461 3.356 10 10 DGCE Cc1cc(C(=O)N(C)c2nncs2)c(C)n1-c1ccccc1 185365591 POKFZVXJJHZNSV-UHFFFAOYSA-N 312.398 3.222 10 10 DGCE Cc1cc(C(=O)NCCOCC(F)F)c(C)n1-c1ccccc1 188755023 ZXIQNFJIMMAGBL-UHFFFAOYSA-N 322.355 3.106 10 10 DGCE COC[C@H](C)N(C)C(=O)c1ccc(-n2c(C)ccc2C)cc1 193605155 VYCNDMVYBHCTHZ-HNNXBMFYSA-N 300.402 3.201 10 10 DGCE CCCS(=O)(=O)c1ccccc1NCc1ccccc1O 228427669 SXUMIRDQRHUYQQ-UHFFFAOYSA-N 305.399 3.188 10 10 DGCE CCCOCCCNCc1cc(Br)ccc1O 233226538 OLKVCEWBIUODIV-UHFFFAOYSA-N 302.212 3.061 10 10 DGCE Nc1ccc(NC(=S)NCCc2c[nH]c3ccccc23)cc1 243282238 LBDGIGGSHODSLV-UHFFFAOYSA-N 310.426 3.279 10 10 DGCE CC(=O)N(C(=O)N(CC(C)C)CC(C)C)c1ccc(N)cc1 244139085 UOEWVEIJNHLZNY-UHFFFAOYSA-N 305.422 3.356 10 10 DGCE Cc1cccc(-n2c(C)cc(C(=O)N[C@@H]3C[C@H]4CC[C@H]3O4)c2C)c1 247653257 PKCGMKJOWLEWFQ-BHIYHBOVSA-N 324.424 3.452 10 10 DGCE COc1ccc(N2CCN(C(=O)[C@@H](C)C(C)(C)C)CC2)cc1 265192315 AYSWWUYVEXEOHN-CQSZACIVSA-N 304.434 3.026 10 10 DGCE CCN(CC)c1ccc(CNCc2cn(C)nc2C(F)F)cc1 291162498 IQXSUNVWDQPESL-UHFFFAOYSA-N 322.403 3.494 10 10 DGCE N#Cc1cc(Br)ccc1CNCc1ccccc1O 381813186 GQIJGTKXIMNABD-UHFFFAOYSA-N 317.186 3.316 10 10 DGCE C[C@H](NCc1coc(Br)c1)c1cc(O)ccc1O 393558471 SGNZYZUWKZZVCF-QMMMGPOBSA-N 312.163 3.304 10 10 DGCE Cc1cc(CO)ccc1N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 687208145 CIHZSOPCZBMPDM-BGYRXZFFSA-N 322.452 3.341 10 10 DGCE COCC1(N(C)c2ccc([C@@H](C)N)c(Br)c2)CC1 707148158 UGXSPYGAZLFNNZ-SNVBAGLBSA-N 313.239 3.084 10 10 DGCE C[C@H](N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)c1ccccc1O 721885569 XTVZAHWMOAKODY-IPYPFGDCSA-N 320.433 3.298 10 10 DGCE C[C@H](NC(=O)c1cc(O)cs1)[C@H]1Oc2ccccc2[C@@H]1C 752824822 ZUPOJUXKVUSTLM-YHAQOWFVSA-N 303.383 3.137 10 10 DGCE CN(C)c1ccc(CN[C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)cc1 798491536 AORPQRUTOFJVSI-FGTMMUONSA-N 302.462 3.438 10 10 DGCE COc1ccc(O)c([C@H](C)Nc2nc([C@@H](C)OC)ns2)c1 800848775 CHOSZWZBBXMQTI-DTWKUNHWSA-N 309.391 3.133 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CCC[C@H]2C2CC2)cc1 823563662 DYBZJIBMHNGTJB-HIFRSBDPSA-N 314.389 3.405 10 10 DGCE COc1cc(Br)cc(CN2CC[C@@H]2C2CC2)c1O 824650152 KDZGOIPTCZUXGU-GFCCVEGCSA-N 312.207 3.148 10 10 DGCE CCOc1ccc(CNC[C@@H]2CCO[C@@H](C(C)C)C2)c(O)c1 824798375 DBCAGJYTHCWSRT-RDTXWAMCSA-N 307.434 3.332 10 10 DGCE COc1cc(CN2C[C@H](C)[C@@H](O)[C@H](C)C2)c(O)c(C(C)(C)C)c1 827147684 VPDQMHDRGXPXGU-LAQFHYBYSA-N 321.461 3.147 10 10 DGCE Cc1cc(CC(=O)NCc2ccn(C)c2)c(C)n1-c1ccccc1 829600706 QKRHJQPLBSWIHU-UHFFFAOYSA-N 321.424 3.292 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCC(NCC3CC3)CC2)cc1 843054099 CYWITHVKMXZXMG-ARJAWSKDSA-N 313.489 3.230 10 10 DGCE COc1ccc(N2CC[C@H](CN[C@@H]3CC[C@@H](C)SC3)C2)cc1 848553341 LYAMLADAAYXWQV-BZUAXINKSA-N 320.502 3.395 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCC[C@H]2C[C@@H]21 852564784 SFTSZFFAZYCPDZ-BQFCYCMXSA-N 315.461 3.330 10 10 DGCE CCCN(C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)C(C)C 854297140 NCNUUYPHJHKKSG-HNNXBMFYSA-N 319.449 3.104 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)C(C)(C)C3CCC3)C2)cc1 855227573 YCTFJXUXRHBRBH-HNNXBMFYSA-N 316.445 3.216 10 10 DGCE Cc1ccc(C(=O)N2CC3(CCC3)[C@@H]2c2ccncc2)c(O)c1O 856492132 KJFMQGPOSLNPDU-KRWDZBQOSA-N 324.380 3.169 10 10 DGCE CCc1cnccc1[C@H](C)NC(=O)N[C@@H](C)c1ccccc1O 868475931 OPQLBAWZHKAMES-STQMWFEESA-N 313.401 3.471 10 10 DGCE Cc1cc2ccccc2n1CC(=O)NCc1c(O)cccc1F 1156164111 NCQTZZLPVVPYAE-UHFFFAOYSA-N 312.344 3.111 10 10 DGCE CC1(F)CCN(Cc2cc(Br)ccc2O)CC1 1203636257 RJFUDZDSBVEFNS-UHFFFAOYSA-N 302.187 3.479 10 10 DGCE Cc1c[nH]c(-c2ccc(NC(=O)c3ccc(C)c(O)c3O)cc2)n1 1300082425 MRCXAVZNNGNJDE-UHFFFAOYSA-N 323.352 3.357 10 10 DGCE COc1ccc(CN[C@H]2C[C@@H](NC(=O)[C@H](C)C(C)C)C2)cc1C 1317120188 CKXMZORVQFNUEE-OIISXLGYSA-N 318.461 3.033 10 10 DGCE CN(C(=O)/C=C/c1cn(C)cn1)c1cc(Cl)cc(Cl)c1 1456300284 PICODYNZWDJQQQ-ONEGZZNKSA-N 310.184 3.403 10 10 DGCE C[C@@H](Nc1ncnc2sc([N+](=O)[O-])cc12)c1ccccc1O 1472856300 QIKUBLPXCSVEJG-MRVPVSSYSA-N 316.342 3.478 10 10 DGCE C[C@H]1CC[C@@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)C1 1556468174 BHZFRGLZSDJEBI-VHSXEESVSA-N 305.399 3.479 10 10 DGCE CCN(CCNCc1ccc(OC)c(C)c1)C(=O)C1CCCC1 1568719964 XGCBPTNVHUWRHB-UHFFFAOYSA-N 318.461 3.132 10 10 DGCE Cn1nc(C(F)(F)F)c(C=O)c1O[C@@H]1CCCC[C@H]1N=[N+]=[N-] 1615671852 HIZADSLWPIZMSH-RKDXNWHRSA-N 317.271 3.252 10 10 DGCE CC[C@@H]1CCCC[C@H]1CNC(=O)NCc1cccc(OC)c1O 1681591788 KNURERYNUPDXRR-KGLIPLIRSA-N 320.433 3.416 10 10 DGCE COc1cccc(CNC(=O)NC[C@@H]2C[C@@H](C)C[C@@H](C)C2)c1O 1682577660 DFIYAERAPFPPFZ-WDNDVIMCSA-N 320.433 3.272 10 10 DGCE CN(Cc1ccccc1O)Cc1cccc(N)c1Br 1877518826 YMFMIRQBKNZMFO-UHFFFAOYSA-N 321.218 3.369 10 10 DGCE C[C@H](c1ccccc1O)N(C)c1cc(=N)[nH]cc1Br 1877518893 ZGNTURHIDLFJFG-SECBINFHSA-N 322.206 3.160 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CC[C@H]([C@@H](N)c2ccccc2O)CC1 1936967219 FOQMFXBQFUYGNL-XJKCOSOUSA-N 320.433 3.476 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]([C@@H](N)c2ccccc2O)C2(CC2)C1 1936969957 HJHUXAHKECVORR-ZFWWWQNUSA-N 318.417 3.039 10 10 DGCE C[C@H]1CSCCCN1c1ccc(CN)c(Br)c1 1940235648 HHUJEKIZEHHGSA-JTQLQIEISA-N 315.280 3.240 10 10 DGCE CN(CC1CC(F)C1)c1ccc(CN)cc1Br 1944067977 GDDIJGQBOUABAU-UHFFFAOYSA-N 301.203 3.092 10 10 DGCE C[C@H](N)c1ccc(N2CCC[C@@H]2CF)cc1Br 2004420529 QJMXDNNBTKPUEV-GXSJLCMTSA-N 301.203 3.407 10 10 DGCE NCc1ccc(N2CC[C@@H](CCF)C2)c(F)c1Br 2047230638 MWNHLNGMVLQTHG-SECBINFHSA-N 319.193 3.233 10 10 DGCE CN(c1ccc(CO)c(Br)c1)[C@@H]1[C@H]2C[C@H]2[C@H]2C[C@H]21 2047811554 IHCOTHSLBKWOCF-NYEGDDQHSA-N 308.219 3.032 10 10 DGCE Nc1c(C(F)(F)F)c(C2CC2)nn1Cc1c(O)cccc1F 2079797409 HAAIUJODBZQRBR-UHFFFAOYSA-N 315.270 3.255 10 10 DGCE Cc1ccc(O)c([C@@H](C)NCc2cnn(C)c2Br)c1 2116554592 NUCQAFLVFITECF-SNVBAGLBSA-N 324.222 3.047 10 10 DGCE CCCN[C@]1(CO)CC[C@H](Sc2nccs2)[C@H]1CC 2122615122 UHPXZMZGQMMBEO-DYEKYZERSA-N 300.493 3.155 10 10 DGCE CSc1ccc([C@H](NN)c2ccc3c(c2)CCN3C)s1 2163139866 CLVPLWRJHNLVGT-OAHLLOKOSA-N 305.472 3.015 10 10 DGCE C[C@@H]1C[C@@H](CN(C)c2cc(Cl)c(CN)cc2F)CCO1 2177381550 OJTXKCPWDWEBGF-MNOVXSKESA-N 300.805 3.189 10 10 DGCE Cc1ccc([C@@H](C)Nc2cscc2S(C)(=O)=O)c(O)c1 2288487628 YSFAZRQLGAMJRH-SNVBAGLBSA-N 311.428 3.339 10 10 DGCE O=C1N=C(N2CCCCC2)SC1=Cc1ccc2c(c1)CCO2 2297353619 MMEMYPQPDJJQNU-UHFFFAOYSA-N 314.410 3.078 10 10 DGCE Cc1ccn2c(N=Nc3ccccc3C(=O)O)c(C(=O)O)nc2c1 2320769082 QTRNPJSRZRGISD-UHFFFAOYSA-N 324.296 3.455 10 10 DGCE CC[C@@H](CCN)N(C)Cc1ccc(C)c(Br)c1O 2327603792 SXTICHKCVLTOSJ-LBPRGKRZSA-N 315.255 3.022 10 10 DGCE Cc1ccc(CNC[C@H]2CC[C@H](C)O2)c(O)c1Br 2327623523 INFHUAOHCWZZQI-CMPLNLGQSA-N 314.223 3.120 10 10 DGCE CCCN[C@@](CSc1nccs1)(C(=O)O)[C@@H]1CC1(C)C 2366585636 IMBCJVNNHYKIOP-QMTHXVAHSA-N 314.476 3.104 10 10 DGCE Cc1ccccc1[C@@H](c1ccc(N(C)C)cc1)N1CCNCC1 19932384 XAMMUJUUANAGJA-HXUWFJFHSA-N 309.457 3.056 10 10 DGCE COc1ccc(CNC(C)C)cc1CSc1ncccn1 81871351 MKOUOBQYUNELNG-UHFFFAOYSA-N 303.431 3.276 10 10 DGCE COc1c(C)cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1C 96314367 DQSRDIHKIJLUEG-UHFFFAOYSA-N 320.433 3.369 10 10 DGCE CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2c2ccco2)cc1 116406053 LWXHUOBCGTZZNV-MRXNPFEDSA-N 313.401 3.392 10 10 DGCE Cc1cccc(N(C)C(=O)/C=C/c2cnc3ccccc3n2)n1 118666362 KSUILXPISZGOAL-ZHACJKMWSA-N 304.353 3.009 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1CCCCC[C@@H]1O 135657930 KLGKSNQLJOHRLS-OLZOCXBDSA-N 304.217 3.482 10 10 DGCE Cc1cc(C)c(O)c(CN2CCC[C@@H](Cc3noc(C)n3)C2)c1 164285796 BMMBZOWERZCKGB-HNNXBMFYSA-N 315.417 3.155 10 10 DGCE CCOc1ccc(O)c(CN2CCC[C@H]2c2cccn2C)c1 179709029 CZJDOENDNIJEEM-KRWDZBQOSA-N 300.402 3.467 10 10 DGCE Nc1ccc(CCC(=O)NCCc2ccc(Cl)s2)cc1 226231058 GFGPVZHXEIUJSQ-UHFFFAOYSA-N 308.834 3.275 10 10 DGCE COc1cc(O)c(CN2CCS[C@H]3CCCC[C@H]32)cc1OC 245537332 IVZFWFNBTRBSSD-DYVFJYSZSA-N 323.458 3.269 10 10 DGCE COCCN(Cc1ccccc1)c1ccc([C@H](C)N)cc1F 384392559 YBBKFFXSLCTIAZ-AWEZNQCLSA-N 302.393 3.498 10 10 DGCE COc1ccc2c(c1)CCN2Cc1ccc(C(=O)NC2CC2)cc1 772600807 ZJBMCCDLCVWTJA-UHFFFAOYSA-N 322.408 3.150 10 10 DGCE COC(=O)[C@H]1C[C@H](C)CCN1Cc1cc(Cl)cc(C)c1O 776004234 ZUBSJACONAMFAD-QMTHXVAHSA-N 311.809 3.128 10 10 DGCE COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1cc(Cl)cc(C)c1O 786578119 HUNXIVUBPUAPET-CQDKDKBSSA-N 323.820 3.128 10 10 DGCE C[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@@H](C)[C@@H]1O 827153005 XMPKTBIAXVRHGG-MNZLEMJZSA-N 302.462 3.126 10 10 DGCE CCOc1ccc(CN[C@@H](C)[C@](C)(O)c2ccccc2)c(O)c1 846039246 PZRPHYZVIJPBKZ-LIRRHRJNSA-N 315.413 3.177 10 10 DGCE Cc1ccc(O)c([C@H](C)NC[C@]2(CO)CCc3ccccc32)c1 846181539 ZSVJUXTVLXNTHA-YWZLYKJASA-N 311.425 3.228 10 10 DGCE CCn1ncc(CN[C@@H](C)c2ccc(N3CCCCC3)cc2)n1 858443922 QCUCWKOPPRWMFO-HNNXBMFYSA-N 313.449 3.139 10 10 DGCE CC[C@H](NC[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1ccc(N(C)C)cc1 926940264 JGZPAFAVHKIVNZ-NBMJBFSESA-N 300.446 3.384 10 10 DGCE C[C@@H](NC(=O)c1cc(-n2cccc2)ccn1)c1ccccc1O 1302532692 PBYKKPZCNXGMOR-CYBMUJFWSA-N 307.353 3.069 10 10 DGCE CC/C=C(/C)C(=O)N[C@H](C)[C@H](C)NCc1ccc(OC)c(C)c1 1485128757 RONGOGVUQIEVKW-RDDKRXPLSA-N 318.461 3.343 10 10 DGCE Cc1ccnc(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)n1 1535144364 YLDDHJCNHFXLRT-UHFFFAOYSA-N 320.396 3.123 10 10 DGCE COc1ccc(CN[C@H](C)[C@@H](C)NC(=O)CCC(C)C)cc1C 1570586913 FCUHNRGFTHIUHV-HZPDHXFCSA-N 320.477 3.423 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N[C@@H](c2ccccn2)C2CC2)cc1 1597065503 LQZRTEPULDUSTN-OAHLLOKOSA-N 323.356 3.125 10 10 DGCE C[C@@H](NC(=O)Cc1cc(F)ccc1O)c1ccc(N(C)C)cc1 1616834956 PABOBLGJBJGUJS-GFCCVEGCSA-N 316.376 3.017 10 10 DGCE Cc1ccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c(O)c1O 1628946352 YNUJKMREDADIRE-MGPQQGTHSA-N 303.402 3.495 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)Nc2ccc(O)c(Cl)c2)cc1 1636759389 SCHAUABASPHHKK-UHFFFAOYSA-N 318.720 3.460 10 10 DGCE Oc1cc(Br)ccc1CNC[C@@H]1C[C@@]12CC2(F)F 1876068564 HQGAZVITDJPTQH-JOYOIKCWSA-N 318.161 3.290 10 10 DGCE [N-]=[N+]=N[C@H]1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 1912197519 VHHCKKKDIYQKDD-ZETCQYMHSA-N 321.189 3.067 10 10 DGCE CNCc1ccc(N(Cc2ccccc2)C(C)(C)CO)c(C)c1 1915778745 QRXRJKWKGLBNJR-UHFFFAOYSA-N 312.457 3.492 10 10 DGCE CN(CCc1ccc(N)cc1)[C@H]1CC[C@@H]1OCc1ccccc1 1939605992 SSAOCSBPYKAMQU-PMACEKPBSA-N 310.441 3.491 10 10 DGCE CN(CCc1ccc(N)cc1)[C@H]1CC[C@H]1OCc1ccccc1 1939605997 SSAOCSBPYKAMQU-VQTJNVASSA-N 310.441 3.491 10 10 DGCE C[C@@H]1C[C@@H](N(C)CCc2ccc(N)cc2)CN1Cc1ccccc1 1949210937 XAWFRKUVHNNDJY-DYESRHJHSA-N 323.484 3.406 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H](N)C[C@H]1c1c(O)cccc1Cl 1952535861 PZLIEBBORXLDSR-ONGXEEELSA-N 312.797 3.055 10 10 DGCE CC[C@H]1[C@H](Nc2ccc(N)cc2)CCN1C(=O)OC(C)(C)C 1959365650 HSUNKRQKOMZQFB-CABCVRRESA-N 305.422 3.469 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNc1ccc(N)cc1 1959367993 QUNSJCHBERKIBE-CHWSQXEVSA-N 305.422 3.184 10 10 DGCE Oc1cccc(F)c1CNCc1sncc1Br 1967706635 QNRNAJYLEAELAK-UHFFFAOYSA-N 317.183 3.040 10 10 DGCE CO[C@H]1CN(Cc2ccc(Br)cc2O)CC1(C)C 1967793629 UOXGMDQUCCKBGX-ZDUSSCGKSA-N 314.223 3.012 10 10 DGCE C[C@H](N[C@H]1C[C@@H]1CNC(=O)OC(C)(C)C)c1ccc(F)cc1O 1973243092 ANRGYLNIILPBFC-WDMOLILDSA-N 324.396 3.095 10 10 DGCE CCC1(CNCc2ccc(N)cc2)CN(C(=O)OC(C)(C)C)C1 1983985119 XPSRJJMMRNEOFK-UHFFFAOYSA-N 319.449 3.006 10 10 DGCE CC(C)(CO)N(Cc1ccccc1)c1ccc2c(c1)CC[C@@H]2N 1986608630 FXQCSMNDDIUSSH-IBGZPJMESA-N 310.441 3.410 10 10 DGCE C[C@H](O)c1cc(F)c(N(Cc2ccccc2)[C@H](C)CO)c(F)c1 1990407506 STMBLVSOQFVFKW-OLZOCXBDSA-N 321.367 3.406 10 10 DGCE CNCc1cc(F)c(N2CC=C(Br)CC2)c(F)c1 2031540199 QBPATJXOUUVUBS-UHFFFAOYSA-N 317.177 3.173 10 10 DGCE CCCN(CCCO)c1ccc([C@@H](C)O)cc1Br 2032097449 XLJQLSBTBGIXLE-LLVKDONJSA-N 316.239 3.101 10 10 DGCE C[C@@H]1C[C@H](CN(C)Cc2c(O)cccc2Br)CO1 2040277161 XETQTBICVIJAJW-GHMZBOCLSA-N 314.223 3.012 10 10 DGCE Oc1cc(Br)ccc1CNC[C@H]1C[C@H]1C(F)(F)F 2041781903 ZTGFDVDGQATADV-PSASIEDQSA-N 324.140 3.443 10 10 DGCE O=C(O)c1cc(C2CCC2)nn1Cc1c(O)cccc1Cl 2069871042 SIQNNGFHKPWIAN-UHFFFAOYSA-N 306.749 3.256 10 10 DGCE Cc1cc(O)c([C@@H](C)n2nc(C)c(C(=O)O)c2Cl)cc1C 2079935208 GWWYQTUBWUDANG-SNVBAGLBSA-N 308.765 3.475 10 10 DGCE CN1CCC[C@@]1(C)CNCc1cc(Cl)cc(Cl)c1O 2098728584 DZNLIADGBZHQFG-AWEZNQCLSA-N 303.233 3.273 10 10 DGCE C[C@H]([C@H]1CCCOC1)N(C)c1cc(Cl)c(CN)cc1F 2177391144 ZIIXVRZJISFEIB-MNOVXSKESA-N 300.805 3.189 10 10 DGCE C[C@H]1C[C@H](N(C)c2ccc(CN)c(C(F)(F)F)c2)CS1 2189469815 VKKWLXDIVZCLKJ-CABZTGNLSA-N 304.381 3.494 10 10 DGCE CN(Cc1cc(F)cc(F)c1O)C1CCP(C)(=O)CC1 2193536558 XTZCZSXJYZWWFV-UHFFFAOYSA-N 303.289 3.258 10 10 DGCE COc1cc(Cl)cc(CNCCc2csnc2C)c1O 2280172687 IPGLOWRIHNFSQG-UHFFFAOYSA-N 312.822 3.151 10 10 DGCE Cc1cc(C=C2NC(=S)N(C3CCCCC3)C2=O)c(C)n1C 2293746739 VEJGJDWCYRCBLD-UHFFFAOYSA-N 317.458 3.032 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)Nc1cnc2ccccc2c1 2307981984 IIYLJHWEURTQDW-UHFFFAOYSA-N 306.321 3.298 10 10 DGCE O=C(C=Cc1cccc(O)c1)NCc1ccc(N2CCCC2)cc1 2310480888 KTXMHGUXWUBGAY-UHFFFAOYSA-N 322.408 3.322 10 10 DGCE Cc1ccc(CN(C)CCC(C)(C)N)c(O)c1Br 2327596155 XXEWWJOWQAXZLG-UHFFFAOYSA-N 315.255 3.022 10 10 DGCE Nc1ccc(NC(=O)NCc2ccc(Br)cc2)cc1 47983301 WBTHNCQJPMTBNE-UHFFFAOYSA-N 320.190 3.353 10 10 DGCE Nc1ccc(N2CCN(Cc3ccc(Cl)s3)C2=O)cc1 54404992 RYRTVPUAWMIMOE-UHFFFAOYSA-N 307.806 3.426 10 10 DGCE NCc1ccc(N2CCC(CN3CCCC3)CC2)cc1Cl 62037963 GQNPBYIYKTURBR-UHFFFAOYSA-N 307.869 3.111 10 10 DGCE CC(=O)Nc1cccc(NC(=S)Nc2ccc(N)cc2)c1 166551020 OHJBBHHCGZSVBY-UHFFFAOYSA-N 300.387 3.036 10 10 DGCE Cc1cc(C(=O)Nc2ccc(N)cc2)c2c(C(C)C)noc2n1 178353067 YRWANPMPZWYMSQ-UHFFFAOYSA-N 310.357 3.489 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)c1cccs1 183479051 AXMFOKZFAITXQG-LLVKDONJSA-N 319.426 3.184 10 10 DGCE Cc1ccc(-n2cccn2)cc1NC(=O)c1ccc(C)c(O)c1O 191840898 KZBSMTJQPODMNK-UHFFFAOYSA-N 323.352 3.153 10 10 DGCE N=C(N)c1ccc(Sc2nccs2)cc1Br 228256759 ZTDPBHIADZGZIB-UHFFFAOYSA-N 314.233 3.341 10 10 DGCE CC1=NN(c2ccccc2C(=O)O)C(=O)[C@H]1N=Nc1ccccc1 252622937 OGFXKWDLRDEHMI-HNNXBMFYSA-N 322.324 3.260 10 10 DGCE CC[C@H]1CNCCN1c1ccc(OC(F)(F)F)c(Cl)c1 401253321 CYIFQVSHBRCBJH-VIFPVBQESA-N 308.731 3.427 10 10 DGCE C[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)C[C@@H]1C(=O)O 693494232 HYOMNDODUQMEFA-KCJUWKMLSA-N 318.200 3.242 10 10 DGCE C[C@H](O)c1ccc(N2CCO[C@](C)(C(F)F)C2)c(Cl)c1 698735558 LSTXQDKLSDYPOO-XPTSAGLGSA-N 305.752 3.254 10 10 DGCE CC(C)O[C@H]1CCN(Cc2c(O)cccc2Br)C1 707132357 NYPDZKJLQDIWDN-NSHDSACASA-N 314.223 3.154 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CCC[C@H]3COCC[C@H]32)c1O 756900522 FKTDVKQLVXLGOT-BLLLJJGKSA-N 323.820 3.249 10 10 DGCE CC[C@H](C(=O)N(C)Cc1ccccc1O)c1c(C)noc1C 769281459 CWNSPNGJTQKUCX-AWEZNQCLSA-N 302.374 3.149 10 10 DGCE Cc1cc(Cl)cc(CNc2ccc3c(c2)C(=O)NCC3)c1O 777496086 MQQIMOZKLUJVQZ-UHFFFAOYSA-N 316.788 3.252 10 10 DGCE CCN1C(=O)/C(=C/c2cccc3cnccc23)SC1=S 782880133 KJGQJDFNPSHSDA-JYRVWZFOSA-N 300.408 3.456 10 10 DGCE CCOC(=O)[C@@H](CC1CC1)NCc1c(O)ccc(Cl)c1F 792174670 YKKBVMZZQRWNSV-GFCCVEGCSA-N 315.772 3.006 10 10 DGCE O=C(NC[C@H]1CC[C@@H](c2ccccc2)O1)c1cc(O)cs1 812253469 UPRVNJGJRXUQHB-KGLIPLIRSA-N 303.383 3.104 10 10 DGCE Cc1ccccc1[C@@H](O)CNCc1ccc2c(c1)CCCN2C 818985513 VWTNLMVMJAWXTI-FQEVSTJZSA-N 310.441 3.201 10 10 DGCE Cc1cccc(OCCn2ccc(-c3cccnc3)cc2=O)c1 821185914 RZVOIJSYPLTYKV-UHFFFAOYSA-N 306.365 3.298 10 10 DGCE Cc1cc(O)c(CN[C@@H]2CCC[C@@H](C(=O)N(C)C)C2)c(Cl)c1 840897260 LLYKVQKYMJUCJY-CHWSQXEVSA-N 324.852 3.091 10 10 DGCE Cc1cc(O)c(CN2CC[C@]3(CCCN(C)C3)C2)c(Cl)c1 840949356 STXHBRCPMWUZLO-KRWDZBQOSA-N 308.853 3.272 10 10 DGCE Cc1cc(O)c(CN2CCC[C@H]([C@H]3CCNC3)C2)c(Cl)c1 843125076 MZGDMNLHJRNFMB-KBPBESRZSA-N 308.853 3.176 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)N1CCC12CCCC2 844989524 JJXIYCAHYYVQBU-UHFFFAOYSA-N 301.434 3.289 10 10 DGCE CC[C@H](N[C@H]1CCCc2c1ccc(=O)n2C)c1ccccc1O 846123674 UDCFAJPLLQQNJE-HOTGVXAUSA-N 312.413 3.209 10 10 DGCE COc1cc(CN[C@@H]2CCOC[C@H]2C)c(O)c(C(C)(C)C)c1 850279272 WUKLVYYTYQXPGH-MLGOLLRUSA-N 307.434 3.213 10 10 DGCE Fc1cc(CNC[C@@H]2CCC[C@H]3C[C@@H]32)ccc1N1CCOCC1 850377720 JMTAFGMQKGUYJO-ULQDDVLXSA-N 318.436 3.188 10 10 DGCE O=C(c1cccc(O)c1O)N1CC2(CCCC2)[C@H]1c1ccco1 855487966 BURWXOXNUYRPQX-MRXNPFEDSA-N 313.353 3.448 10 10 DGCE CC[C@@H](NC[C@H]1CCC2(CCOCC2)O1)c1ccccc1O 878362502 BDQDOQCABBQYKO-GDBMZVCRSA-N 305.418 3.161 10 10 DGCE COc1ccc(N(C)CCC2C[C@@H]3CC[C@H](C2)N3)cc1OC 923309100 QUARTCJOYCSBKS-GOOCMWNKSA-N 304.434 3.061 10 10 DGCE C[C@@H](N[C@H]1C[C@@H]2OC(C)(C)O[C@@H]2C1)c1cc(F)cc(F)c1O 927053126 ALPARMHFODZQRJ-NKBRHBOISA-N 313.344 3.004 10 10 DGCE CCOc1ccc(N2CCN(C(=O)[C@H]3CCC3(C)C)CC2)cc1 1118690039 QPPCBVWMPIWYPA-QGZVFWFLSA-N 316.445 3.170 10 10 DGCE Cc1ccc(O)c(CNC(=O)CSCc2ccc(F)cc2)c1 1147956983 KZZXLJWTGOBADT-UHFFFAOYSA-N 319.401 3.389 10 10 DGCE C[C@@H](N[C@H](C)c1ccccc1O)C(=O)Nc1c(F)cccc1F 1197004714 VBBPRCSMGRMUIS-GHMZBOCLSA-N 320.339 3.348 10 10 DGCE CC[C@H](C)C(=O)N(C)C1CC(NCc2ccc(OC)c(C)c2)C1 1284745347 WXXFSKKIZVPCSY-IGEOTXOUSA-N 318.461 3.129 10 10 DGCE Cc1ccc(O)c(CNc2ncnc3sc([N+](=O)[O-])cc23)c1 1472835969 SCSGSQCMFBYBFZ-UHFFFAOYSA-N 316.342 3.226 10 10 DGCE CC/C(C)=C/C(=O)N[C@H]1C[C@H](NCc2ccc(OC)c(C)c2)C1 1490888031 GQGXIOLVEAOELG-JXNLHVLSSA-N 316.445 3.097 10 10 DGCE COc1nscc1CN(C)Cc1ccc(N(C)C)c(C)c1 1620614231 HEVHQWFWZWXFMD-UHFFFAOYSA-N 305.447 3.158 10 10 DGCE CN(Cc1ccccc1O)C(=O)c1ccc(Cl)c(F)c1N 1622317658 TUAHVEZQDMERGQ-UHFFFAOYSA-N 308.740 3.039 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccc2occc2c1 1628833547 FKEXEKYBBSMUPV-ZZXKWVIFSA-N 309.321 3.174 10 10 DGCE CC(C)O[C@H]1C[C@@H](NC(=O)N[C@@H](C)c2ccccc2O)C1(C)C 1671411300 SRCZIGICWKOSAW-MAZHCROVSA-N 320.433 3.345 10 10 DGCE CCCCCCOC(=O)CCNCc1ccc(N(C)C)cc1 1857868986 KXPIYCZNBUZURW-UHFFFAOYSA-N 306.450 3.356 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](CSc2ncc(N)s2)C1 1883313854 HECACSMTJCZSKI-VIFPVBQESA-N 315.464 3.074 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN(C(=O)c2cncc(Br)c2)C1 1912167575 MKDIEVIGDAKSOS-SECBINFHSA-N 324.182 3.007 10 10 DGCE [N-]=[N+]=NCC1CCN(Cc2sncc2Br)CC1 1912188111 MLCVQDMSOHJNGK-UHFFFAOYSA-N 316.228 3.428 10 10 DGCE CC[C@@H](O)c1ccc(N2CC(N(C)Cc3ccccc3)C2)cc1 1914212632 SQFNBUFDTHDTGB-HXUWFJFHSA-N 310.441 3.451 10 10 DGCE CO[C@H]1CCN(Cc2cc(Br)cc(C)c2O)[C@@H]1C 1914344970 AAAXIZBLOJGPDC-MFKMUULPSA-N 314.223 3.072 10 10 DGCE CN(CC1CC(F)C1)c1ccc(CO)cc1Br 1944070284 AHQUAMJCIIJVKG-UHFFFAOYSA-N 302.187 3.126 10 10 DGCE CCSC1CN(c2ccc([C@@H](C)N)c(Br)c2)C1 1948317666 HEFQLYPZAAZPII-SECBINFHSA-N 315.280 3.411 10 10 DGCE C[C@H]1CN(CCCCN=[N+]=[N-])C[C@@H]1CNC(=O)OC(C)(C)C 1962303475 HQFNKBCTBQZZSX-STQMWFEESA-N 311.430 3.170 10 10 DGCE C[C@H]1[C@H](C)N(C(=O)OC(C)(C)C)CCN1CCCCN=[N+]=[N-] 1962305959 WAIUJBYQIHYQOZ-STQMWFEESA-N 311.430 3.407 10 10 DGCE COc1cccc(O)c1CN[C@H](C)CN(C)Cc1ccccc1 1976859091 SQXHOOHXUUWQCR-OAHLLOKOSA-N 314.429 3.011 10 10 DGCE CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(N)cc1 1977932358 XWBSPRZTIPZTTG-UHFFFAOYSA-N 319.449 3.352 10 10 DGCE CCN(C(=O)NCCOCc1ccccc1)c1ccc(N)cc1 1981615972 XPCIUHUSMMMRMJ-UHFFFAOYSA-N 313.401 3.022 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H](Oc2ccc(N)cc2)C2(CCC2)C1 1992484944 AMZCFIYQJOLFEY-HNNXBMFYSA-N 318.417 3.437 10 10 DGCE [N-]=[N+]=N[C@H]1CCN(Cc2ncc(Br)cc2Cl)C1 2012057722 UHWIWGXJKFDNPG-QMMMGPOBSA-N 316.590 3.382 10 10 DGCE C[C@H]1CCOC[C@@H]1N(C)Cc1cccc(Br)c1O 2035126439 SGYOCIPYCLVSRW-GWCFXTLKSA-N 314.223 3.012 10 10 DGCE C[C@H](O)c1ccc(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@@H]32)cc1Br 2053728616 AIXKTMRTEGKNPP-UDVZWPTNSA-N 308.219 3.347 10 10 DGCE CCCNCc1ccc(N2CC[C@@H]2CF)c(Br)c1 2063225491 QYGHWSQHDLKCSM-GFCCVEGCSA-N 315.230 3.497 10 10 DGCE CCc1c(C(C)(C)C)nn(Cc2ccc(OC)cc2O)c1N 2079822308 CLPOHRVLKUZVJV-UHFFFAOYSA-N 303.406 3.088 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)c2cccc(Br)n2)CC1 2099340812 GETQUXNGDHNXJZ-SECBINFHSA-N 324.182 3.149 10 10 DGCE CN[C@@H](C)c1ccc(N(C)Cc2cnco2)c(Br)c1 2105605330 SLYNWXHCXKSIBE-JTQLQIEISA-N 324.222 3.354 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)c1ccnc(Cl)c1Cl 2120741872 FIBPYUVAXQTPKC-ZETCQYMHSA-N 300.149 3.303 10 10 DGCE COCCNCc1cnc(SC[C@H]2CC[C@@H](C)C2)s1 2268694509 ARCUAOCIAYOFSS-NEPJUHHUSA-N 300.493 3.407 10 10 DGCE CSc1ncc(Cn2c(S)nc3c(C)nccc32)s1 2269271200 LEKCYXZFEHVRJD-UHFFFAOYSA-N 308.457 3.255 10 10 DGCE CC(C)c1ccc(N2C(=O)NC(=O)C(=Cc3ccco3)C2=O)cc1 2294118613 FLMVHXQAZQHDGM-UHFFFAOYSA-N 324.336 3.069 10 10 DGCE CCOC(=O)c1c(O)cccc1C=Cc1ccc(O)c(O)c1 2295157413 WVNVHOPWQXYSDT-UHFFFAOYSA-N 300.310 3.151 10 10 DGCE C[C@H](N)c1ccc(N2C[C@@H]3C[C@H]2[C@H]2C[C@@H]23)c(Br)c1 2308724175 CTWIJFZGOBJDKG-SRHVSQOSSA-N 307.235 3.313 10 10 DGCE Cc1ccc(N)c(NCc2ccc(C)c(Br)c2O)n1 2352619784 JPPUSNQALHJCPI-UHFFFAOYSA-N 322.206 3.361 10 10 DGCE COc1cccc2c1C(=O)c1ccc3c(c1C2=O)[C@@H](O)C[C@H](C)C3 13889778 GCPUVEMWOWMALU-YGRLFVJLSA-N 322.360 3.086 10 10 DGCE biogenic CN(CC(=O)c1ccc(O)c(O)c1)Cc1ccccc1Cl 48014546 LWUUGJYLZJVKGU-UHFFFAOYSA-N 305.761 3.066 10 10 DGCE CN(C)c1ccc([C@H]2NC(=O)c3ccc(Cl)cc3N2)cc1 73649650 YGHOJDBCMXHTHS-OAHLLOKOSA-N 301.777 3.260 10 10 DGCE [N-]=[N+]=NCCCOc1ccc(Br)cc1[N+](=O)[O-] 88086253 FREDTQKXAYCTKH-UHFFFAOYSA-N 301.100 3.437 10 10 DGCE COC(=O)[C@@](NCCN=[N+]=[N-])(c1ccc(Cl)cc1)C1CC1 90256805 OJKYMAULLDTNDY-AWEZNQCLSA-N 308.769 3.018 10 10 DGCE CCN[C@@H](C)c1ccc(N(C)Cc2csc(C)n2)cc1O 93671269 QDYLMFFGENHGGK-NSHDSACASA-N 305.447 3.464 10 10 DGCE COc1cccc(CN[C@@]2(CO)C[C@@H](C)CC(C)(C)C2)c1O 152400103 NTEGHKHPWGSNJE-UGSOOPFHSA-N 307.434 3.068 10 10 DGCE COc1cccc(CN[C@]2(CO)C[C@@H](C)CC(C)(C)C2)c1O 152400282 NTEGHKHPWGSNJE-SCLBCKFNSA-N 307.434 3.068 10 10 DGCE CCNCc1ccc(N(C)[C@H]2CCOC2)c(C(F)(F)F)c1 160126600 BDEMPSBTXVBBKN-LBPRGKRZSA-N 302.340 3.040 10 10 DGCE Cc1ccc([C@@H](C)CNC(=O)/C=C/c2ccc(O)c(O)c2)cc1 181108193 MUKGVNBFQXGAJI-XYYIANASSA-N 311.381 3.339 10 10 DGCE Cc1ccc([C@H](C)NC[C@H](CC(C)C)N2CCOCC2)c(O)c1 192936040 BSBDPWUFWQMQHO-IRXDYDNUSA-N 320.477 3.098 10 10 DGCE CC(C)Oc1ccc(N2CC[C@H](CNC[C@H]3CCCO3)C2)cc1 250572367 AFBBHGHFCSJCJY-VQIMIIECSA-N 318.461 3.069 10 10 DGCE CCN(Cc1ccccc1)c1cc2c(cc1Cl)[C@@H](N)C(=O)N2 309572022 HNJYYHGSJBCACV-MRXNPFEDSA-N 315.804 3.318 10 10 DGCE CC(C)(C)OC(=O)NC[C@H](N)c1cc2ccccc2cc1O 309861790 JDIRSVFSTLXFLN-AWEZNQCLSA-N 302.374 3.070 10 10 DGCE C[C@H](N[C@@H](C)c1nnc2n1CCCCC2)c1ccccc1O 315081766 AHPXWKGKRZDQAK-STQMWFEESA-N 300.406 3.122 10 10 DGCE CN(C)c1ccc(CNC(=O)c2ccc3c(c2)CCCN3)cc1 320787269 KEUQJQFSEYZVSM-UHFFFAOYSA-N 309.413 3.041 10 10 DGCE Oc1ccc(F)cc1CN[C@H](c1ccccc1)[C@@H]1CCOC1 373142571 UEGOYOXEBRYIOQ-RDTXWAMCSA-N 301.361 3.399 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCOCC1 373208609 ZSRWZCGZOJNVLL-QGZVFWFLSA-N 318.461 3.306 10 10 DGCE C[C@@H](NCc1coc(Br)c1)c1c(O)cccc1O 386116318 VFGXUGKRKPSHLS-MRVPVSSYSA-N 312.163 3.304 10 10 DGCE O=C(/C=C\c1cnccn1)N(Cc1ccccc1)c1ccccn1 491186971 QPQZVNFDVGHHOT-KTKRTIGZSA-N 316.364 3.118 10 10 DGCE COc1ccc(CCN[C@@H]2C[C@H](C)c3c(F)ccc(O)c32)cn1 527991460 VPUBLILDMHZTMW-SMDDNHRTSA-N 316.376 3.316 10 10 DGCE O=C1Cc2c(C(=O)N(CC3CCC3)c3ccccc3)ccnc2N1 612083110 WILBGFQDFUEKME-UHFFFAOYSA-N 321.380 3.023 10 10 DGCE C[C@@H](NCc1c(O)cccc1Br)c1ccncc1 706863448 HFEWQROIWWLJGI-SNVBAGLBSA-N 307.191 3.401 10 10 DGCE CN[C@@H](C)c1ccc(N2C[C@H](F)[C@H](F)C2)cc1Br 714740788 WDCVUAITJUAKNB-AQUOVQTQSA-N 319.193 3.226 10 10 DGCE Oc1ccc(Cl)cc1CNC[C@H]1CC[C@@H](C(F)(F)F)O1 722405715 ZXYOZJRKNQMKHN-PWSUYJOCSA-N 309.715 3.245 10 10 DGCE O=C(c1cc(O)cs1)N1CCC[C@H]1c1ccc2c(c1)OCO2 732286826 YIUOSYWVDKJMSR-LBPRGKRZSA-N 317.366 3.160 10 10 DGCE C[C@@H](C[C@H]1CCOC1)NCc1cc(Br)ccc1O 759834991 ABIUPQXPLBBUQV-WDEREUQCSA-N 314.223 3.059 10 10 DGCE CC[C@@H]1C[C@H](CN(C)c2ccc(OCCN(C)C)cc2)CCO1 761222685 LHTFZXZEVSESIV-SJLPKXTDSA-N 320.477 3.268 10 10 DGCE CCCN(CCC)c1ccc(CN2CCO[C@@H](COC)C2)cc1 769461210 RDFRGTZWLCHMCH-LJQANCHMSA-N 320.477 3.160 10 10 DGCE Cc1nc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(C)s1 773008096 CEHKRVNUBQQKMF-JTQLQIEISA-N 303.431 3.317 10 10 DGCE CO[C@H]1C[C@@H](N(C)C(=O)c2sccc2-n2c(C)ccc2C)C1 804303850 GETFJBPRJXNHCU-OKILXGFUSA-N 318.442 3.405 10 10 DGCE Cc1cc(Cl)cc([C@H](C)N[C@H]2CCc3nc[nH]c3C2)c1O 810252775 JAGDGZACBXOBJP-JQWIXIFHSA-N 305.809 3.285 10 10 DGCE Cc1ccccc1[C@H](O)CNCc1ccc2c(c1)CCCN2C 818985515 VWTNLMVMJAWXTI-HXUWFJFHSA-N 310.441 3.201 10 10 DGCE Cc1cnc(CCCC(=O)N[C@H](C)c2ccc(N(C)C)cc2)o1 828861442 PICHRMZCMKJBSD-CQSZACIVSA-N 315.417 3.249 10 10 DGCE Cc1cc(CN2CC[C@@H]3CN(C)C[C@@H]32)ccc1N1CCCCC1 829998730 NFKSQTAEIMLNCX-QUCCMNQESA-N 313.489 3.121 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCC[C@H](c3cc[nH]n3)C2)cc1 835026119 QALLTNPEDYRDFJ-IVZVJUQRSA-N 310.445 3.369 10 10 DGCE C[C@H](N[C@@H]1CCC[C@H](CO)C1)c1cc2c(cc1O)CCCC2 840895419 LRNBEAAHXAZSIL-GRDNDAEWSA-N 303.446 3.473 10 10 DGCE CCN(CC)c1ccc(CN2CCC[C@H]([C@@H]3CCCN3)C2)cc1 843044784 JFTAFKNSBIQHNR-ICSRJNTNSA-N 315.505 3.497 10 10 DGCE COc1cccc2c1N(C(=O)/C(C)=C\c1cccnc1)CCC2 846813288 ZMGUHVAUVLDKRB-OWBHPGMISA-N 308.381 3.473 10 10 DGCE CCC(C)(CC)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855228185 XAPAHOTXYFMWGJ-AWEZNQCLSA-N 304.434 3.216 10 10 DGCE CN1CC[C@H](NCc2ccc(N3CCCC3)cc2)CC1(C)C 858094767 RVDKFTJZHQNULA-KRWDZBQOSA-N 301.478 3.249 10 10 DGCE CCc1ccc(CS(=O)(=O)N[C@@H](C)c2ccccc2O)cc1 867834005 JEQKIHHBDMXFML-ZDUSSCGKSA-N 319.426 3.135 10 10 DGCE O=C(NCC[C@@H]1CCSC1)c1cc2cc(O)c(O)cc2s1 899155343 ZESZYXYYEGFQEP-SECBINFHSA-N 323.439 3.186 10 10 DGCE CC[C@H](NC(=O)NCc1c(O)cccc1F)c1c(C)noc1C 921672079 ROWVGVYLEWDSCP-ZDUSSCGKSA-N 321.352 3.087 10 10 DGCE O=C(N[C@H]1CCC[C@@H](F)C1)c1cc2cc(O)c(O)cc2s1 1119562715 WUCGNKWVGLOEMG-ZJUUUORDSA-N 309.362 3.323 10 10 DGCE O=C(CCCC(=O)c1ccccc1)NCc1c(O)cccc1F 1156178323 ZQUMRECRGDDDIF-UHFFFAOYSA-N 315.344 3.201 10 10 DGCE CCc1cccc(CN[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c1O 1561047306 LVVJLEUMQXMKHY-GASCZTMLSA-N 320.433 3.100 10 10 DGCE C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1cccc(O)c1 1568279624 FPSHUNQMNJTAQR-JTQLQIEISA-N 312.329 3.046 10 10 DGCE C[C@H](Oc1ccccc1F)C(=O)NCc1cc(Cl)ccc1O 1632224216 WYEFVMJQTNEXJZ-JTQLQIEISA-N 323.751 3.268 10 10 DGCE CCCN(Cc1ccccc1O)C[C@H]1CCC[C@]2(CCOC2)O1 1641902227 KJIDDQHRPPSZIJ-IEBWSBKVSA-N 319.445 3.332 10 10 DGCE Nc1ccc(N(C(=O)Cc2c(F)cccc2F)C2CC2)cc1 1857926921 IXXXWXPAAYQULQ-UHFFFAOYSA-N 302.324 3.285 10 10 DGCE CCOC(=O)C1CCN(/N=N/c2ccc(N(C)C)cc2)CC1 1860485645 RVDTXLSLKPVOAL-ISLYRVAYSA-N 304.394 3.026 10 10 DGCE CCCC1=NN(C)C(=O)/C1=C/c1ccc(OC(C)C)c(OC)c1 1865672186 OSQZAGJFDWOMMX-GXDHUFHOSA-N 316.401 3.494 10 10 DGCE C[C@H](N[C@H](CCO)COCc1ccccc1)c1ccccc1O 1902792029 FJQCUWPPCDWOSL-DOTOQJQBSA-N 315.413 3.011 10 10 DGCE CC(C)(C)OC(=O)N1C[C@](N)(c2ccccc2O)CCC1(C)C 1939479391 XTFSIIJLEILRIF-SFHVURJKSA-N 320.433 3.356 10 10 DGCE C[C@]1(F)CCN(Cc2cc(Br)cc(F)c2O)C1 1946919311 JLIXZBCHIUACDO-LBPRGKRZSA-N 306.150 3.228 10 10 DGCE CC1(C)[C@H](NCc2cc(Br)ccc2O)C1(F)F 1948212245 KGUDHNVMWTXCME-JTQLQIEISA-N 306.150 3.288 10 10 DGCE Cc1cccc(N)c1N[C@H](CNC(=O)OC(C)(C)C)C1CC1 1959374414 VGYHSEXNLWQUNP-CQSZACIVSA-N 305.422 3.292 10 10 DGCE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(c2ccc(N)cc2)C1 1959573969 ZYFXDDZHIIVLKQ-GXTWGEPZSA-N 305.422 3.008 10 10 DGCE COc1ccc(Br)c(CN[C@]2(C)C[C@@H]2C)c1O 1973063757 HIFMYCAPULHKJM-ISVAXAHUSA-N 300.196 3.051 10 10 DGCE c1ccc(COC2CN(c3ccc(CNC4CC4)cc3)C2)cc1 1977136444 QIJOVSOUUOKOEU-UHFFFAOYSA-N 308.425 3.344 10 10 DGCE CC(C)(C)OC(=O)N1CCCC[C@@H]2[C@H](Nc3ccccc3N)[C@H]21 1977667179 WRRLWWBQMBHNMG-KCXAZCMYSA-N 317.433 3.469 10 10 DGCE CN(C)c1ccc([C@H](N)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 1977945399 NNUCENHCBPJTMR-CVEARBPZSA-N 319.449 3.152 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]2CCN(c3ccc(N)cc3)C[C@H]21 1977970211 KIHJEAMNPBGQDX-XJKSGUPXSA-N 317.433 3.105 10 10 DGCE CC[C@@H](CN(C)Cc1c(O)cccc1Br)OC 2014868259 WVNHZRYFCOGJIO-JTQLQIEISA-N 302.212 3.012 10 10 DGCE C[C@@H](O)c1ccc(N2Cc3conc3C2)cc1Br 2042310350 LIVSRSAJBBUKHY-MRVPVSSYSA-N 309.163 3.011 10 10 DGCE COc1cnn(Cc2c(O)cccc2Cl)c1Br 2070298192 GDHAMHKLZFCXHN-UHFFFAOYSA-N 317.570 3.062 10 10 DGCE Cc1cc(CCNCc2cc(Br)ccc2O)ccn1 2091809314 GAZUGHWAAXDMQZ-UHFFFAOYSA-N 321.218 3.190 10 10 DGCE CC(C)CN(Cc1cc(Cl)cc(Cl)c1O)C1CNC1 2103945601 HXPLSEROBCWACG-UHFFFAOYSA-N 303.233 3.129 10 10 DGCE CN[C@H](c1ccc(N(C)C)cc1)c1ncccc1Br 2106794502 XMVZDNKPQVVWQT-CQSZACIVSA-N 320.234 3.219 10 10 DGCE CCN1CCc2cc([C@@H](N)c3ccoc3Br)ccc21 2106794669 YWTGEVMWBUPMAY-CQSZACIVSA-N 321.218 3.473 10 10 DGCE CO[C@@]1(CN(C)c2ccc([C@@H](C)N)c(Cl)c2)CCSC1 2186278634 TVKPCGHGWNQTLD-IAQYHMDHSA-N 314.882 3.318 10 10 DGCE C[C@@H](O)c1cc(F)c(N2CCSCC(F)(F)C2)c(F)c1 2194517496 YSGCURJMLHNOTG-MRVPVSSYSA-N 309.328 3.207 10 10 DGCE OCc1ccc(N2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2)c(Br)c1 2228692174 TVXRCQRHBXQFKY-LVEBTZEWSA-N 320.230 3.200 10 10 DGCE OCc1ccc(N2C[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2)c(Br)c1 2264967559 KVMHHCCNWSHTPL-KPWCQOOUSA-N 322.246 3.424 10 10 DGCE Cc1ccc2c(c1)OCCN2C(=O)C=Cc1cnc(C)s1 2297659290 GXWWLGXEFJXITO-UHFFFAOYSA-N 300.383 3.199 10 10 DGCE CCN(CCN=[N+]=[N-])C(=O)c1ccc(F)cc1Br 2315989808 UCGYNBJNHMFVSS-UHFFFAOYSA-N 315.146 3.361 10 10 DGCE C[C@@H](c1cc(Br)ccc1O)N(C)[C@H](C)CN(C)C 2326779103 NOHZGFGQTVHVHC-MNOVXSKESA-N 315.255 3.098 10 10 DGCE CNCc1ccc(N2Cc3cccnc3C2)c(Br)c1 2336965517 PWEUSESMRCJNBM-UHFFFAOYSA-N 318.218 3.084 10 10 DGCE Cc1ccc(CNCc2n[nH]c(C)c2C)c(O)c1Br 2352670440 IOKDPOPIUVTWLN-UHFFFAOYSA-N 324.222 3.093 10 10 DGCE Cc1ccc(CN(C)c2ccncc2N)c(O)c1Br 2352950375 RPQJCSJAFJNMIU-UHFFFAOYSA-N 322.206 3.077 10 10 DGCE COc1cccc(CNC(=O)Nc2cnc3ccccc3c2)c1O 69216808 IVISFPMBHLHKEI-UHFFFAOYSA-N 323.352 3.271 10 10 DGCE CCOc1cccc(CN(C)CCc2ccccc2OC)c1O 93105184 WFTPMDIWJKNFQB-UHFFFAOYSA-N 315.413 3.474 10 10 DGCE CCN(Cc1cccc(Br)c1O)[C@@H](C)COC 132582593 LGXMEYPAAVIZMW-JTQLQIEISA-N 302.212 3.012 10 10 DGCE COc1ccc(O)c([C@@H](C)NCc2nc3c(F)cccc3[nH]2)c1 182379940 WGONFWITYSIRFM-SNVBAGLBSA-N 315.348 3.267 10 10 DGCE C/C(=C/c1ccc(C)cc1)C(=O)NCCc1ccc(O)c(O)c1 182502735 OMYREKBZHRSHCC-KAMYIIQDSA-N 311.381 3.168 10 10 DGCE C[C@H](NCC1(C)OCCCO1)c1cc2c(cc1O)CCCC2 190652122 HKMBEESPJXCPFZ-ZDUSSCGKSA-N 305.418 3.075 10 10 DGCE CC[C@H](Nc1ccc(N2CCOCC2)nc1)c1ccccc1O 192798113 JQGQAPZOZVQAQQ-INIZCTEOSA-N 313.401 3.187 10 10 DGCE Cc1cc(CN2CCO[C@H](C(F)F)C2)c(O)c(C(C)(C)C)c1 193450366 XOXIORDIWXLAES-AWEZNQCLSA-N 313.388 3.464 10 10 DGCE CC[C@@H](CNC(=O)OC(C)(C)C)N[C@H](C)c1cc(O)ccc1O 227726597 DRVFDZJAQRFVGH-NEPJUHHUSA-N 324.421 3.052 10 10 DGCE C[C@H](NCCCN(C)C(=O)OC(C)(C)C)c1c(O)cccc1O 235515253 YXOCXKBXQKYILW-LBPRGKRZSA-N 324.421 3.005 10 10 DGCE CO[C@]1(C)CCN(c2ccc([C@@H](C)N)c(Br)c2)C1 311159410 PGBDKULHPLTIFP-QMTHXVAHSA-N 313.239 3.084 10 10 DGCE COc1cc(Cl)cc(CN2CCC[C@H]([C@@H]3CCCN3)C2)c1O 317627349 OAYMUZXSASFFKV-WFASDCNBSA-N 324.852 3.018 10 10 DGCE C[C@@H]1CCCC[C@@H]1S(=O)(=O)Nc1ccc(O)cc1Cl 407435119 RFAAHKIPZOHFBK-RNCFNFMXSA-N 303.811 3.366 10 10 DGCE O=C(/C=C\c1cnccn1)N1CC2(CCCC2)c2ccccc21 492057257 KZUJQORMQVSSMH-FPLPWBNLSA-N 305.381 3.348 10 10 DGCE COc1ccc2[nH]cc(C3=CCN(c4cccnn4)CC3)c2c1 548746543 RLVCZTOKUHATPM-UHFFFAOYSA-N 306.369 3.260 10 10 DGCE C[C@@H](NCC1CN(Cc2ccccc2)C1)c1cc(F)ccc1O 716270975 NWWUEIDLGALTTP-CQSZACIVSA-N 314.404 3.314 10 10 DGCE CCCCCCOCC(=O)N(C)Cc1ccc(N(C)C)cc1 730769207 BGFJWUSZNZLPCF-UHFFFAOYSA-N 306.450 3.308 10 10 DGCE CC(C)(C)c1cc(O)c(O)c(CN2CCC[C@@H]3COCC[C@@H]32)c1 756887130 MWMNGURSNYHQMX-CJNGLKHVSA-N 319.445 3.396 10 10 DGCE C[C@@H](NC[C@@H](O)c1cc(F)ccc1F)c1ccc(N(C)C)cc1 775838396 YEIXMIUVVOYVPY-KZULUSFZSA-N 320.383 3.415 10 10 DGCE COc1cnccc1[C@H](C)NCc1cc(Cl)cc(F)c1O 783743786 JWYVLDVVWIOJCT-VIFPVBQESA-N 310.756 3.439 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1[C@H]2CCC[C@H]21 787401611 PNKPDDPISSWVRU-FVQHAEBGSA-N 301.434 3.083 10 10 DGCE COc1cc(Cl)cc(CN(C)Cc2cnccc2C)c1O 793341410 UAOACNIFAPTGLI-UHFFFAOYSA-N 306.793 3.390 10 10 DGCE O=S(=O)(/C=C\c1ccccc1F)Nc1ccc(O)cc1F 799924967 KFSZHXOVAMCGDN-FPLPWBNLSA-N 311.309 3.083 10 10 DGCE Cc1cccc(CNCc2cc(Br)ccc2O)c1O 809712461 NOIRUNKZGZSIOJ-UHFFFAOYSA-N 322.202 3.459 10 10 DGCE C[C@H](N[C@@H](C)[C@@H](C)N)c1cc(Br)cc(Cl)c1O 817977918 RLCBXDOUIJZAGX-CSMHCCOUSA-N 321.646 3.194 10 10 DGCE Nc1ccc(OCCn2ccc3c2CCN=C3C2CCC2)cc1 821289231 CEOYVDMTRHWQPC-UHFFFAOYSA-N 309.413 3.295 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCC[C@@H](c3cc[nH]n3)C2)cc1 835026121 QALLTNPEDYRDFJ-NJELEJDNSA-N 310.445 3.369 10 10 DGCE C[C@@H]1[C@@H](N2CCCC2)CCN1C/C=C/c1ccc(N(C)C)cc1 835052937 ITESIKJMGSVEFQ-CNTTWCMLSA-N 313.489 3.324 10 10 DGCE O=C(C[C@H](c1ccc(O)cc1)C1CC1)NCc1ccccc1O 839612272 OWCDCKLXLAKUKF-KRWDZBQOSA-N 311.381 3.298 10 10 DGCE CCC(C)(C)N(C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 849417148 KMAJYAKMFRDTLH-CQSZACIVSA-N 319.449 3.104 10 10 DGCE COc1cc(CNCc2ncccc2O)c(O)c(C(C)(C)C)c1 850281964 PUIPFSNWZZXHEU-UHFFFAOYSA-N 316.401 3.089 10 10 DGCE Cc1ccc(O)c(CNC(=O)N[C@@H](C)CCc2ccc(C)o2)c1 858255033 OOJXWWJJYRNSHZ-ZDUSSCGKSA-N 316.401 3.423 10 10 DGCE CC[C@@H]1NCC[C@H]1N[C@@H](C)c1cccc(C(F)(F)F)c1O 863543344 MTOSVRNWGKWRGT-TVYUQYBPSA-N 302.340 3.202 10 10 DGCE O=C(NCc1cccc(Br)c1O)[C@]12CCCC[C@H]1C2 867830997 MTWMZDCCLAYZKH-NHYWBVRUSA-N 324.218 3.351 10 10 DGCE CCOC(=O)COc1cccc(NCc2c(C)cccc2O)c1 877169122 HGUYDPIYDVRDMY-UHFFFAOYSA-N 315.369 3.255 10 10 DGCE COc1cccc(O)c1CN1CCCC[C@@H](C2CCOCC2)C1 895716923 NBCQQNKORNUIHA-MRXNPFEDSA-N 319.445 3.430 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@@H]2CC[C@H]3COCC[C@H]3C2)c1 922213616 PSNUEETWGRMNEK-ZQDZILKHSA-N 305.418 3.257 10 10 DGCE C[C@@H]1C[C@H](NCc2ccc(N3CCOCC3)c(F)c2)CCS1 922837316 SIFADIFUJCMQPG-UKRRQHHQSA-N 324.465 3.036 10 10 DGCE CC1(N2CCC2)CCC(NCc2ccc3c(c2)CCO3)CC1 922848466 SOWBTOQBCYJEOZ-UHFFFAOYSA-N 300.446 3.118 10 10 DGCE CC[C@H](N[C@@H]1CNC[C@H]1C)c1ccc(Cl)c(Cl)c1O 925784782 NTUUEFJKIZZOGD-JFUSQASVSA-N 303.233 3.348 10 10 DGCE COc1ccc(C(=O)NCc2c(O)cccc2F)cc1C1CC1 928708245 JHZWIQIIUBYUJL-UHFFFAOYSA-N 315.344 3.347 10 10 DGCE Cc1sc(CC(=O)NCc2c(O)cccc2F)nc1C(C)C 928709203 YKJGMEPVCSJRJD-UHFFFAOYSA-N 322.405 3.279 10 10 DGCE CCN(CC)c1ccc(CNC(=O)c2cccc(F)c2N)cc1 1141868789 JJCBYBCKBPOQIU-UHFFFAOYSA-N 315.392 3.184 10 10 DGCE COc1cccc(CNC(=O)/C=C\CCc2ccccc2)c1O 1150543966 VXKINXZBAJFEIL-MLPAPPSSSA-N 311.381 3.206 10 10 DGCE CC(C)(CNC(=O)c1c(F)ccc(O)c1O)Cc1ccccc1 1160788680 COVBIKWMRMCYQJ-UHFFFAOYSA-N 317.360 3.236 10 10 DGCE C[C@H](NS(=O)(=O)c1cccc(Cl)c1)c1ccccc1O 1256833253 UXCLEIJMGVWSIH-JTQLQIEISA-N 311.790 3.085 10 10 DGCE COc1cccc(CNC(=O)NC[C@H]2C[C@H]2C2CCCC2)c1O 1263780177 YDBMNWMQAWWUKK-CABCVRRESA-N 318.417 3.026 10 10 DGCE COC(=O)[C@H]1CCC[C@H]1NCc1ccc(N2CCCCC2)cc1 1321865803 ABQBGYKHNXUXOG-ZWKOTPCHSA-N 316.445 3.108 10 10 DGCE C/C(=C\C(=O)N1CCCc2ccc(F)c(F)c21)c1cnccn1 1518262611 NBSIFZHKIODYPO-PKNBQFBNSA-N 315.323 3.138 10 10 DGCE O=C(NCC(F)(F)c1ccccc1)N1Cc2cccc(O)c2C1 1564877451 QHWRIVLVCGWDFX-UHFFFAOYSA-N 318.323 3.209 10 10 DGCE C[C@@]1(NC(=O)Cc2ccc(O)c(O)c2)CCCc2ccccc21 1623761597 CINYZIHCVABHGL-LJQANCHMSA-N 311.381 3.008 10 10 DGCE CS[C@H](C(=O)NCc1cc(C)ccc1O)c1ccccc1 1641733383 UDODCGPVAHPFEZ-INIZCTEOSA-N 301.411 3.421 10 10 DGCE CC(C)Cc1ccccc1CNC(=O)Cc1ccc(O)c(O)c1 1646327812 RXRUZVMSAMEKEJ-UHFFFAOYSA-N 313.397 3.155 10 10 DGCE COC(=O)c1cnc(Sc2ccc(C)cc2[N+](=O)[O-])s1 1651095891 GXYWOJAFFOVODY-UHFFFAOYSA-N 310.356 3.298 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@@H](C)C1(C)CC1 1683426281 WPQPUFNFBOAPQB-CABCVRRESA-N 317.477 3.480 10 10 DGCE C[C@@H](NC(=O)N1C[C@H]2CCCC[C@H]21)c1ccc(N(C)C)cc1 1686173761 OSEGTJRWWUDYQZ-FRFSOERESA-N 301.434 3.398 10 10 DGCE C[C@@H]1C[C@H]1n1c(N(C)Cc2ccccc2O)nnc1C(C)(C)C 1726494331 FBJMEOGFGYCDOQ-TZMCWYRMSA-N 314.433 3.499 10 10 DGCE C[C@@H](N[C@H]1CCCC2(OCCO2)C1(C)C)c1ccccc1O 1877584476 FGJFTTBHKQZZMU-CJNGLKHVSA-N 305.418 3.365 10 10 DGCE C[C@@H](N)c1ccc(N(C)CCOC2CC2)c(Br)c1 1914552675 WATWSZQTHQTCME-SNVBAGLBSA-N 313.239 3.084 10 10 DGCE OCc1ccc(N2[C@H]3CC[C@H]2CSC3)cc1C(F)(F)F 1914586970 ZKVQKUVVWHWXTN-RYUDHWBXSA-N 303.349 3.282 10 10 DGCE OCc1ccc(N(Cc2ccccc2)C2(CO)CCC2)c(F)c1 1915634424 IICDPSVZRUMQPO-UHFFFAOYSA-N 315.388 3.240 10 10 DGCE C[C@H](Nc1csnc1Br)c1ccc(O)cc1O 1926859004 QBQBSYPLTFORIJ-LURJTMIESA-N 315.192 3.490 10 10 DGCE CC(C)(C)OC(=O)N(C[C@@H](N)c1ccccc1O)C(C)(C)C 1928480892 OUWNCVRXIFJSBP-CYBMUJFWSA-N 308.422 3.428 10 10 DGCE Cc1nc(Sc2nccs2)c(N)cc1Br 1932609413 QMUURIFUFBUFIR-UHFFFAOYSA-N 302.222 3.342 10 10 DGCE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2ccc(N)cc2)C1 1959567213 NLVGXGOXBZJOFM-QWHCGFSZSA-N 305.422 3.008 10 10 DGCE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1c1ccc(N)cc1 1959572432 MSTMGDKSDKJXNV-JSGCOSHPSA-N 305.422 3.151 10 10 DGCE COc1cc(Cl)cc(CNCC(C)(C)OC(C)C)c1O 1964605231 JKORNJDQWAHZSU-UHFFFAOYSA-N 301.814 3.347 10 10 DGCE COc1ccc(Br)c(CNCCCCCF)c1O 1966090080 IJUNHYOKKTXMHU-UHFFFAOYSA-N 320.202 3.393 10 10 DGCE CP(C)(=O)[C@H]1CCCN(Cc2ccc(F)c(F)c2O)C1 1973748354 MTCDIXZAPRQXNT-NSHDSACASA-N 303.289 3.258 10 10 DGCE CN(C)c1ccc([C@@H](N)C[C@H]2CCN2C(=O)OC(C)(C)C)cc1 1979163778 XFCSYKCFSZQVPT-CVEARBPZSA-N 319.449 3.152 10 10 DGCE Cc1ccc(CN[C@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1 1994457508 CGRDNPJVJHWIIX-GJZGRUSLSA-N 320.433 3.236 10 10 DGCE CO[C@@H]1CCCC[C@@H]1NCc1cc(Br)ccc1O 2027935386 ZXRFQCOUFAVDBS-GXTWGEPZSA-N 314.223 3.202 10 10 DGCE CCN(CCCCO)c1ccc([C@H](C)N)cc1Br 2041181188 SQEHYBGTJWSVIK-NSHDSACASA-N 315.255 3.068 10 10 DGCE Nc1ccc(Nc2cc(Br)nc(C3CC3)n2)cc1 2064497140 HSMPNFMJWJDAMQ-UHFFFAOYSA-N 305.179 3.442 10 10 DGCE CNCc1ccc(N2CC[C@H]3CC[C@H]3C2)cc1Br 2068256168 XFFAIHBOGNCQEJ-YPMHNXCESA-N 309.251 3.405 10 10 DGCE Cc1ccc([C@@H](C)n2nc(C3CC3)cc2C(=O)N(C)C)c(O)c1 2070086504 FBBWHCGNYFRUSN-GFCCVEGCSA-N 313.401 3.086 10 10 DGCE CCc1cc(CN(C)C)n([C@@H](C)c2cc(C)c(C)cc2O)n1 2070120116 FCGXLIXFWLPHER-AWEZNQCLSA-N 301.434 3.439 10 10 DGCE COc1cnn(Cc2cc(Cl)ccc2O)c1Br 2070300202 UXHFIDYKODUQQF-UHFFFAOYSA-N 317.570 3.062 10 10 DGCE Nc1ccc(NC(=O)Nc2ccc(Br)nc2)cc1 2071568340 KVPKDLJUXFYWKH-UHFFFAOYSA-N 307.151 3.070 10 10 DGCE CCOC(=O)C1CCC(Sc2ncc([C@@H](C)O)s2)CC1 2159807777 PXFRKLNASIWEHY-KPPDAEKUSA-N 315.460 3.410 10 10 DGCE Oc1cc(Cl)ccc1CNC1(C(F)(F)F)CCOCC1 2168290728 YRNJAMBJDGOKSV-UHFFFAOYSA-N 309.715 3.247 10 10 DGCE Cc1cccc(CNCc2cc(C(F)(F)F)ns2)c1O 2204610735 QGLPZEHKCHDIJF-UHFFFAOYSA-N 302.321 3.466 10 10 DGCE CCOC(=O)[C@@](N)(CSc1nccs1)C1CCCCC1 2208179005 QOVQFQBVEGDCRN-CQSZACIVSA-N 314.476 3.076 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(Cc2nscc2Br)C1 2211137885 MFZMDFLQOYOIGB-SSDOTTSWSA-N 302.201 3.180 10 10 DGCE CN[C@@H](C)c1ccc(N2CCSCC(F)(F)C2)c(C)c1 2240831076 RKJQDOJUYDEAAU-LBPRGKRZSA-N 300.418 3.464 10 10 DGCE O=C1NC(=S)SC1=Cc1cccc(OC(F)(F)F)c1 2297473924 UBLHYHDMNRQUBC-UHFFFAOYSA-N 305.302 3.074 10 10 DGCE C[C@H]1CN(C)c2ccccc2N(C(=O)C=Cc2cccnc2)C1 2297667543 ZLIZWKQDPIMNHL-HNNXBMFYSA-N 307.397 3.214 10 10 DGCE COc1cc(Cl)c(CCN)c(Sc2nccs2)c1 2317924724 HAOZVPMIWXCSNL-UHFFFAOYSA-N 300.836 3.458 10 10 DGCE Cc1ccc(CN2C(=O)C[C@@H](C)[C@@H]2C)c(O)c1Br 2327802164 XQJJAIIIZLTXPA-ZJUUUORDSA-N 312.207 3.220 10 10 DGCE CC[C@@H](N)Cc1cnc(SC[C@]2(C)CCCOC2)s1 2344937239 NTHNFUAAEGWPPY-BXUZGUMPSA-N 300.493 3.332 10 10 DGCE CN(C)c1ccc(CNc2ccc(C(N)=O)c(Cl)c2)cc1 37121183 UVGIGCROTZYJFY-UHFFFAOYSA-N 303.793 3.117 10 10 DGCE CCOc1ccc(O)c(CN2CC[C@@H](Nc3ccccc3)C2)c1 92758258 MRDNBTPEINFTSZ-QGZVFWFLSA-N 312.413 3.477 10 10 DGCE CCC[C@H](O)[C@H](N)c1ccc(OCc2ccccc2)cc1O 95814270 GBVPKWBZBPJIEE-FUHWJXTLSA-N 301.386 3.132 10 10 DGCE CCCN(CCC)c1ccc(CNc2nnc(C)n2C)cc1 162020232 STDZLWLAEJFXDC-UHFFFAOYSA-N 301.438 3.362 10 10 DGCE Cc1nn(C)c(C)c1CCCN[C@H](C)c1ccc(N(C)C)cc1 183483766 MCMMFZFKSRXRHM-CQSZACIVSA-N 314.477 3.386 10 10 DGCE C[C@@H](N[C@H](C)c1ccc(F)cc1O)c1ccc2c(c1)CC(=O)N2 185107868 FUSNEALYFTYDTP-GHMZBOCLSA-N 314.360 3.438 10 10 DGCE CCCN(CCNCc1cc(C)ccc1O)C(=O)OC(C)(C)C 229330593 WTHPOCJYZYSZBB-UHFFFAOYSA-N 322.449 3.437 10 10 DGCE C[C@@H](CNCc1ccc(N2CCOCC2)cc1)c1ccccc1 237404568 AKWGKKVPHPXWKU-KRWDZBQOSA-N 310.441 3.417 10 10 DGCE Cc1cc(C(=O)N[C@@H]2C[C@H]3OCCC[C@@H]23)c(C)n1-c1ccccc1 249183184 NNXLVKMCTYDMIM-QXAKKESOSA-N 324.424 3.391 10 10 DGCE NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(O)cc1)N2 250232723 BREQWFTZQOFGJT-VKJFTORMSA-N 306.365 3.318 10 10 DGCE COC(=O)c1cnc(/C=C\c2ccc3c(c2)CCN3C)s1 255199621 XGHPMHYIMLVGBO-XQRVVYSFSA-N 300.383 3.092 10 10 DGCE c1cc2c(o1)CCCN(Cc1ccc(N3CCOCC3)cc1)C2 368130350 AXCNMGIFEJITJA-UHFFFAOYSA-N 312.413 3.065 10 10 DGCE CCc1nc([C@H]2CCCCN2Cc2cc(OC)ccc2O)no1 378440499 BKYVAJFDCFFCHJ-CQSZACIVSA-N 317.389 3.073 10 10 DGCE C[C@H](NCc1ccc(Br)o1)c1ccc(O)cc1O 378943930 KGFDHLULJUUCRF-QMMMGPOBSA-N 312.163 3.304 10 10 DGCE COc1ccc([C@H]2CN(Cc3ccc(N)cc3)C(=O)O2)c(C)c1 585904011 FVDFKVLRMRGPMD-QGZVFWFLSA-N 312.369 3.279 10 10 DGCE CCc1ccc(O)c([C@](C)(CC(=O)O)NC(=O)OC(C)(C)C)c1 687809897 DGIIFEDANDBBGP-KRWDZBQOSA-N 323.389 3.169 10 10 DGCE CO[C@@](C)(CNc1ccc(N)cc1)COCc1ccccc1 702834569 KHYQHOMFZDXKBD-SFHVURJKSA-N 300.402 3.303 10 10 DGCE C[C@@H](NC[C@@H](CO)c1ccccc1)c1cc(F)cc(F)c1O 756636306 WSCURNSFWAEQOQ-YPMHNXCESA-N 307.340 3.097 10 10 DGCE CC1=C(c2ccco2)CN(Cc2cc3c(cc2O)OCO3)CC1 800867412 XMGPFZQKRLBMRC-UHFFFAOYSA-N 313.353 3.393 10 10 DGCE CO[C@@H](CCNCc1cc(Cl)c(F)cc1O)C(F)(F)F 816588306 KPAYXYAIHBJPMH-NSHDSACASA-N 315.694 3.242 10 10 DGCE CCN(CC)c1ccc(CNCc2noc(C3CC3)n2)cc1 824320432 HYZYDBKPJJESGP-UHFFFAOYSA-N 300.406 3.083 10 10 DGCE C[C@H](NCc1ccc(N2CCN(C)CC2)cc1)C1CCCC1 825283943 AGHUKHHGUDUEJV-INIZCTEOSA-N 301.478 3.107 10 10 DGCE Cc1cc(N(C)C)ccc1CN1CCO[C@H](CC(F)(F)F)C1 827785951 FBJSXKUTXZDQFV-OAHLLOKOSA-N 316.367 3.214 10 10 DGCE Cc1ccccc1[C@H](CO)NC/C=C/c1ccc(N(C)C)cc1 835042082 GPWCQXMRAYUWFH-IEJURRBGSA-N 310.441 3.397 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@H]2Cc3cccc(O)c3C2)cc1 835048962 NTOXUEZEQHRXTD-BDUNBXCCSA-N 308.425 3.228 10 10 DGCE Cc1cc(O)c(CN2CC[C@H](c3nccn3C)C2)c(Cl)c1 840949137 RCPDMWBLLUBTHQ-LBPRGKRZSA-N 305.809 3.077 10 10 DGCE COc1cc(CN[C@H]2C[C@H](O)C23CCC3)c(O)c(C(C)(C)C)c1 850388512 NIGLHAXHUBYORD-HOTGVXAUSA-N 319.445 3.091 10 10 DGCE CCc1cccc(CNCc2ccc(N3CCC(O)CC3)cc2)c1 850406761 SLIQXQUNDDCCTJ-UHFFFAOYSA-N 324.468 3.500 10 10 DGCE CC(=O)c1cc(F)cc(CN2CCC(c3ccon3)CC2)c1O 852672532 FPGYZAUPNPJHKO-UHFFFAOYSA-N 318.348 3.102 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)c1cc2c([nH]1)CCCC2 862026433 ODZODAZYLYMGER-UHFFFAOYSA-N 321.380 3.077 10 10 DGCE Cc1ccc([C@@H](C)NC[C@H]2CC3(CCOCC3)CO2)c(O)c1C 866533748 VBCFZRSAMGITCI-HZPDHXFCSA-N 319.445 3.245 10 10 DGCE Cc1ccc([C@H](C)N[C@H](CCN(C)C)c2cccnc2)c(O)c1 903379399 GLAKDISMNUEMAK-MAUKXSAKSA-N 313.445 3.439 10 10 DGCE COc1cc(C)cc(CN2CCC[C@H]2COC(C)(C)C)c1O 905725229 SRWAYZHSYWTTOD-HNNXBMFYSA-N 307.434 3.489 10 10 DGCE Cc1ccc([S@@](C)(=O)=NC(=O)c2ccc(C)c(O)c2O)cc1 1157516518 SDKASKJNHOVLRC-JOCHJYFZSA-N 319.382 3.012 10 10 DGCE Cc1cccc(C)c1S(=O)(=O)Nc1ccc(O)c(Cl)c1 1194638089 HTCIUJZUTUMGNV-UHFFFAOYSA-N 311.790 3.463 10 10 DGCE COc1ccc(CC(=O)NCc2cccc(Cl)c2O)cc1F 1457036497 IFLADPSULRLMHN-UHFFFAOYSA-N 323.751 3.052 10 10 DGCE Oc1nc(Cl)cc(N2CC=C(c3ccc(Cl)nc3)CC2)n1 1472747113 QRWWNQSHZBJVSV-UHFFFAOYSA-N 323.183 3.178 10 10 DGCE COc1ccc(F)c(C(=O)N[C@H](C)c2ccccc2O)c1OC 1557967278 YZUZWGAGHIMMHB-SNVBAGLBSA-N 319.332 3.040 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)NCC[C@@H](O)C1CC1 1558748201 HHSSDHWPFWMHBA-OAHLLOKOSA-N 318.442 3.046 10 10 DGCE CCN(C[C@@H]1C[C@H]2CCC[C@@H]2O1)c1ccc(OC)c(OC)c1 1559642227 HEJDMZCBMXUCDL-KBMXLJTQSA-N 305.418 3.488 10 10 DGCE CC(C)[C@H](Cc1ccccc1)C(=O)NCc1cc(O)ccc1O 1593873712 XLRULEMFTXPSEE-KRWDZBQOSA-N 313.397 3.229 10 10 DGCE CCCCC[C@@H](O)C(=O)N(C)Cc1ccc(N(CC)CC)cc1 1623451952 PBRRWLJSWBKOOD-GOSISDBHSA-N 320.477 3.432 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@H]1OC(C)(C)C 1625794727 OPDIKTMXUWUWAB-IAGOWNOFSA-N 318.461 3.305 10 10 DGCE CCNc1ncc(C(=O)NCc2cc(C)ccc2O)cc1Cl 1633286542 HDMQYXRZVVULGK-UHFFFAOYSA-N 319.792 3.111 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H](c2ccccc2)C1 1641179784 VECKNKRGHCTFEH-INIZCTEOSA-N 311.381 3.047 10 10 DGCE Cc1cc(C(=O)NCc2c(O)cccc2O)c(C)cc1Cl 1645362957 GXUGKQFWXNORNR-UHFFFAOYSA-N 305.761 3.298 10 10 DGCE Cc1c(C(=O)NCc2ccncc2)n(C)c2cc(Cl)ccc12 1858178862 VJJGNNSBLSYRIT-UHFFFAOYSA-N 313.788 3.465 10 10 DGCE CCCC1=NN(CC(C)C)C(=O)/C1=C/c1ccc(O)c(OC)c1 1865676604 GHTALOHQDIAWFK-NTEUORMPSA-N 316.401 3.439 10 10 DGCE COCCN(Cc1ccccc1)c1ccc(C=CC(=O)O)cc1 1911710315 MOZLGEREHDCXMT-UHFFFAOYSA-N 311.381 3.437 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H](F)[C@@H]1c1c(N)cccc1O 1953070097 CAJWFSCRCYNZCG-IINYFYTJSA-N 310.369 3.385 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1Nc1ccccc1N 1959374640 WSXHSDLHOMNBGW-JSGCOSHPSA-N 305.422 3.374 10 10 DGCE C[C@H](N[C@H]1C[C@H]1CNC(=O)OC(C)(C)C)c1cc(F)ccc1O 1973222241 MSTFKGCESSPCNO-MJVIPROJSA-N 324.396 3.095 10 10 DGCE C[C@H]1CCN(Cc2ccc(N)cc2)C[C@@H]1NC(=O)OC(C)(C)C 1977920303 HXIVBSRYQDRVEO-BBRMVZONSA-N 319.449 3.004 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CCCN2CCCCN=[N+]=[N-])C1 1982246477 VPZOFGJVPLWDRJ-ZIAGYGMSSA-N 323.441 3.408 10 10 DGCE CNCc1ccc(N2[C@H]3C=CC[C@H]2CC3)c(Br)c1 2034846093 BHPQFSNKUURZJC-STQMWFEESA-N 307.235 3.466 10 10 DGCE CN[C@H](c1ccc(N(C)C)cc1)c1cc(Br)co1 2049669902 OKVQVZPDKUOWQL-CQSZACIVSA-N 309.207 3.417 10 10 DGCE C[C@H](c1cc(Br)ccc1O)N(C)c1cnn(C)c1 2051207535 RJJNXBIZVCFCLI-SECBINFHSA-N 310.195 3.086 10 10 DGCE C[C@@H](O)c1ccc(N2CCS[C@H]3COCC[C@H]32)c(Cl)c1 2170501655 COVFWUQSTJXUJE-KMUNFCNLSA-N 313.850 3.104 10 10 DGCE [N-]=[N+]=NCC1(CNC(=O)c2cc(F)c(Cl)cc2F)CC1 2174350184 BZTKDEZDBKIXJQ-UHFFFAOYSA-N 300.696 3.439 10 10 DGCE Oc1ccc(CNc2ccc(F)c(Cl)c2F)c(O)c1O 2200735578 NBYFYVMGYQEURS-UHFFFAOYSA-N 301.676 3.347 10 10 DGCE CCC[C@@H](CNCc1cccc(C)c1O)NC(=O)OC(C)(C)C 2210474980 ZHDRLIPLCXRVDQ-HNNXBMFYSA-N 322.449 3.484 10 10 DGCE CN(C)c1ccc(OCc2ccncc2Br)cc1 2221877846 GHWVJHZTSMPPTF-UHFFFAOYSA-N 307.191 3.489 10 10 DGCE Oc1cccc(Cl)c1CNC[C@H]1OCC[C@H]1C(F)(F)F 2240539289 ZBTUWGOJSPUPMZ-BXKDBHETSA-N 309.715 3.103 10 10 DGCE Cc1cc2c(n1-c1ncc(Br)cc1F)CCC[C@@H]2N 2268333620 OZHVQIWRBCKNKZ-LBPRGKRZSA-N 324.197 3.418 10 10 DGCE COCCNCc1cnc(SCC2CC(C)(C)C2)s1 2268466153 AIFIVJUIAZBJIH-UHFFFAOYSA-N 300.493 3.407 10 10 DGCE CSc1ncc(CNCCC2(CCO)CCCC2)s1 2269311254 DHZVZOALJFOQGF-UHFFFAOYSA-N 300.493 3.288 10 10 DGCE COCCOCCN(C)[C@H](C)c1cc(Cl)c(C)cc1O 2286438101 YDGQPSVAZGHRQG-GFCCVEGCSA-N 301.814 3.010 10 10 DGCE COC(=O)Cc1nc2ccccn2c1N=Nc1ccc(O)cc1C 2320768153 XDVGPVLEEJOGTB-UHFFFAOYSA-N 324.340 3.479 10 10 DGCE Cc1ccccc1C=C1SC(=S)N(CCCN(C)C)C1=O 2323767395 PYCNEXIYJFJNSG-UHFFFAOYSA-N 320.483 3.148 10 10 DGCE CCOCCCN1C(=O)C(=Cc2ccc(O)cc2)SC1=S 2323791262 JOPPDZWVUDTRJP-UHFFFAOYSA-N 323.439 3.020 10 10 DGCE [N-]=[N+]=NCCN[C@@H](C(N)=O)c1c(Cl)ccc(Cl)c1Cl 2339223649 RBBJIKJWGOPIQF-SECBINFHSA-N 322.583 3.073 10 10 DGCE Cc1cc(O)c([C@H]2CCN(C(=O)OC(C)(C)C)CCN2)cc1C 1952974217 ZWRANEBYCFUKPH-OAHLLOKOSA-N 320.433 3.281 10 10 DGCE Cc1cc(CNC(=O)c2ccncc2)c(C)n1-c1ccccc1 62577257 DVURPCOQPKVRMG-UHFFFAOYSA-N 305.381 3.419 10 10 DGCE N=C(NCc1ccccc1)NCc1ccc(N2CCCC2)cc1 66242945 HPNJMZIVZCTNJH-UHFFFAOYSA-N 308.429 3.101 10 10 DGCE CCc1oc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1C 120899785 ZNGTXTITXQZZAE-UHFFFAOYSA-N 314.385 3.256 10 10 DGCE O=C1N=C(Nc2cccc(C(=O)O)c2)S/C1=C/c1ccco1 210379128 MLOXKYZJEWSPMU-XYOKQWHBSA-N 314.322 3.060 10 10 DGCE Nc1ccc(OCCNC(=O)Nc2ccc(Cl)cc2)cc1 38079635 NIPWLFUAVFEERP-UHFFFAOYSA-N 305.765 3.123 10 10 DGCE CCN(CC(F)(F)F)c1c(F)cc(/C=C\C(=O)O)cc1F 213600070 CQSTZDHMSMQHQH-ARJAWSKDSA-N 309.234 3.451 10 10 DGCE CSCCCCNC(=O)NCc1ccc2c(c1)CCCN2C 77793127 SIPXYECCRAUOOY-UHFFFAOYSA-N 321.490 3.011 10 10 DGCE C[C@H](N[C@@H](Cc1ccccc1)CN(C)C)c1cc(F)ccc1O 185091876 PXQJSGZRIIMUSS-YOEHRIQHSA-N 316.420 3.355 10 10 DGCE CO[C@H]1CN(Cc2cc(Br)ccc2O)CC[C@H]1C 188296092 XMQDNQIYDOZNPG-YGRLFVJLSA-N 314.223 3.012 10 10 DGCE CC[C@@H](CNC(=O)OC(C)(C)C)N[C@H](C)c1ccc(O)cc1O 227725531 YZPDYYKLXGNMAF-NEPJUHHUSA-N 324.421 3.052 10 10 DGCE CC[C@H](CNC(=O)OC(C)(C)C)N[C@H](C)c1c(O)cccc1O 234030859 JXOBUOOQGQSLEE-VXGBXAGGSA-N 324.421 3.052 10 10 DGCE C[C@@H](NC[C@@H]1c2ccccc2C(=O)N1C)c1cc(F)ccc1O 528010007 ZUGJJOZIWDYHAA-BDJLRTHQSA-N 314.360 3.009 10 10 DGCE CCN(C)c1ccc([C@H](C)NC[C@@H](O)Cc2ccccc2)cc1 246924422 GPCXQAFOTYANPT-JXFKEZNVSA-N 312.457 3.397 10 10 DGCE C[C@H](N[C@H](C)c1ccc(Br)cc1O)c1cn[nH]c1 273514769 SIVAWAFUYLRBBT-DTWKUNHWSA-N 310.195 3.290 10 10 DGCE Oc1cc(F)c(Cl)cc1CN1CCC(c2ncc[nH]2)CC1 295484378 XHNYDJFLRFPGRV-UHFFFAOYSA-N 309.772 3.287 10 10 DGCE N[C@H](c1cccs1)c1cc(Br)cc(F)c1O 396459032 LIQYBHUTTBLMDJ-JTQLQIEISA-N 302.168 3.403 10 10 DGCE Cc1ccc(/C=C/C(=O)N2CCc3c(F)ccc(F)c32)cn1 817827965 XRKFVMJIJAWHJK-QPJJXVBHSA-N 300.308 3.271 10 10 DGCE C[C@H](N[C@H]1CCCN(C)C1)c1cccc(C(F)(F)F)c1O 815563997 UPOZNXXKNZXANP-QWRGUYRKSA-N 302.340 3.156 10 10 DGCE Oc1cc2c(cc1CN1CC[C@@H](n3cc(Cl)cn3)C1)CCC2 811802364 XGDVQJYHICFYIF-MRXNPFEDSA-N 317.820 3.178 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)/C=C\c1cccnc1C 825981581 VUFLLOUNLDXVAO-NTMALXAHSA-N 309.413 3.094 10 10 DGCE COc1ccc(N(C)Cc2c(C3CCC3)cnn2C)cc1OC 825509356 JDPNKOSIBXEMJU-UHFFFAOYSA-N 315.417 3.341 10 10 DGCE CCN(C)c1ccc([C@@H](C)NC[C@]2(OC)CCSC2)cc1 903309486 FCSLMQQQTUDWDJ-RHSMWYFYSA-N 308.491 3.315 10 10 DGCE COCCN(Cc1cnccc1C)c1ccc(OC)c(OC)c1 749352731 PCYSRDQLIFSCFH-UHFFFAOYSA-N 316.401 3.060 10 10 DGCE CN1CCCc2cc(CN[C@H](C3CCOCC3)C3CC3)ccc21 924872576 RRPYCVJDELVMGM-FQEVSTJZSA-N 314.473 3.364 10 10 DGCE Cc1ccc([C@@H](C)N[C@H]2C[C@@H]3OC(C)(C)O[C@@H]3C2)c(O)c1C 927059939 HETNQXSVFKVJTO-XOUADPBQSA-N 305.418 3.342 10 10 DGCE C/C=C(/C=C/C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)CC 855233844 NYLYEJYFNDCIGC-NPXNHSIESA-N 314.429 3.303 10 10 DGCE C[C@@H](NCc1ccc(OCc2ccccc2)cc1O)C(C)(C)O 753552472 CSQPWERPOATWLC-CQSZACIVSA-N 315.413 3.220 10 10 DGCE CCN(CC)c1ccc(CN[C@@H]2C[C@H]3CC[C@@H](N3)[C@H]2C)cc1 925480618 MVALCFPPKBTSSH-YCEFEEMOSA-N 301.478 3.151 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)NCCC2CC=CC2)c1 926710316 IWRDNVPDKHFSKB-LBPRGKRZSA-N 304.390 3.117 10 10 DGCE C[C@@H](NCc1cc(Cl)cc([N+](=O)[O-])c1O)c1cscn1 850359878 VCLFDVIZKMIFKA-SSDOTTSWSA-N 313.766 3.261 10 10 DGCE CCN(Cc1ccc(N)cc1)C(=O)c1occc1Br 696523822 KEBNOFTXPDNYES-UHFFFAOYSA-N 323.190 3.287 10 10 DGCE COC(=O)N1CCC[C@H]([C@H](C)N[C@@H](C)c2ccc(F)cc2O)C1 775582693 XPBLAHUDKHBNBZ-AVGNSLFASA-N 324.396 3.049 10 10 DGCE C[C@@H]1OC2(CNCc3cc(Cl)cc(Cl)c3O)CC1C2 1878451263 HNLAFJHGXNLEBE-BQDOLQKVSA-N 302.201 3.356 10 10 DGCE COC1(CNCc2cccc(Cl)c2O)CCSCC1 1879927622 INQUCXCTCPVZSY-UHFFFAOYSA-N 301.839 3.047 10 10 DGCE c1ccc(COc2ccc(N3CC[C@@H]4CCN[C@H]4C3)cc2)cc1 1899864299 QUPFFNKPEBXPEG-PXNSSMCTSA-N 308.425 3.454 10 10 DGCE COc1ccc(N2CC[C@@H](CNC3CCCC3)C2)cc1OC 76379024 QOYDOQUJGFMMBQ-AWEZNQCLSA-N 304.434 3.062 10 10 DGCE CNCc1cc(F)c(N2CCS[C@@H](C(C)C)C2)c(F)c1 687998230 SKPOHWMNJDJDKI-CQSZACIVSA-N 300.418 3.262 10 10 DGCE Oc1c(F)cc(Br)cc1CNCc1ccco1 715745956 PCJIPTCVQCFZFJ-UHFFFAOYSA-N 300.127 3.177 10 10 DGCE Cc1ncccc1/C=C\C(=O)N1CCCc2ccc([N+](=O)[O-])cc21 1264967194 COFBTBJOUNITSR-CLFYSBASSA-N 323.352 3.291 10 10 DGCE C/C=C\[C@H](O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 1442442979 BKNAIVDWQIHHET-BHSUKZTGSA-N 316.445 3.009 10 10 DGCE CN(CCCn1cccc1)c1ccc(CO)cc1Br 2115200403 WNGJFHHKPNXHBR-UHFFFAOYSA-N 323.234 3.269 10 10 DGCE Cc1cc(C(=O)NCc2ccc3c(c2)CCCN3C)cc(C)n1 1292206182 BFNLJFCKBCUKII-UHFFFAOYSA-N 309.413 3.011 10 10 DGCE CCc1ccc(C=C2SC(=S)N(CCOC)C2=O)s1 2293140526 VKGJWSCZYDHNQT-UHFFFAOYSA-N 313.469 3.158 10 10 DGCE C[C@@H](NC(=O)c1cc2cnccc2[nH]1)c1ccc(N(C)C)cc1 1556260524 MDGABGZAPYYNNG-GFCCVEGCSA-N 308.385 3.120 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)c2c(F)ccnc2Cl)c1 1622779356 OIIBDGJARMGLKY-QMMMGPOBSA-N 324.739 3.079 10 10 DGCE CCC[C@@H](C)C(=O)N(C)[C@H](C)CNCc1ccc(OC)c(C)c1 1568263243 VNUFFXZUHIQQCI-GDBMZVCRSA-N 320.477 3.376 10 10 DGCE C/C(=C\C1CCC(C)CC1)C(=O)NCc1cc(O)ccc1O 1643881792 FWDKQAPCFMHOMB-UKTHLTGXSA-N 303.402 3.487 10 10 DGCE CC[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccccn1 1643150761 RRKZBWUJKKLJCP-CYBMUJFWSA-N 311.345 3.125 10 10 DGCE O=C(NCc1cc(O)ccc1O)[C@H]1C[C@@]12CCCc1ccccc12 1644754028 OIAUGLWDCTVLOT-YLJYHZDGSA-N 323.392 3.008 10 10 DGCE CCn1cc(Br)c(CN(C)Cc2ccccc2O)n1 1964125566 RTMVQFFIUYUNJZ-UHFFFAOYSA-N 324.222 3.003 10 10 DGCE O=C(NCc1cccc(Cl)c1O)NC[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21 1684804366 VXFUYPRPMZAOMK-HPCHECBXSA-N 320.820 3.137 10 10 DGCE COc1ccc(N2N=C(C)/C(=C(/C)NC3CCCC3)C2=O)cc1 17052465 UMKWKUYVXMPUAM-SFQUDFHCSA-N 313.401 3.224 10 10 DGCE CCOC(=O)[C@H](NCCCN=[N+]=[N-])c1cc(Cl)ccc1F 161186854 YIOSXBLPWHGDJX-GFCCVEGCSA-N 314.748 3.373 10 10 DGCE Clc1cc(CNC2CC2)ccc1N1CCO[C@@H]2CCC[C@@H]21 164035970 UHCAZPSNOJVWJZ-DLBZAZTESA-N 306.837 3.350 10 10 DGCE CCCN[C@@H]1C[C@H](Sc2nccs2)CC[C@H]1COC 2127232715 YCVGBKSGDUSUFA-YNEHKIRRSA-N 300.493 3.419 10 10 DGCE CCN1N=C(c2ccccc2)/C(=C/c2ccc(O)c(OC)c2)C1=O 1865675534 MPPWHOMCRVOLIE-PTNGSMBKSA-N 322.364 3.051 10 10 DGCE CN(CCCF)c1ccc(C=CC(=O)O)cc1Br 1911810649 VAPVEPWFKGUJNN-UHFFFAOYSA-N 316.170 3.343 10 10 DGCE CO[C@@H]1CCN(c2ccc([C@H](C)N)c(Br)c2)[C@@H]1C 1914273399 YMJJMWCBXURRMN-IMSIIYSGSA-N 313.239 3.082 10 10 DGCE CO[C@@H]1CCN(c2ccc([C@H](C)O)cc2Br)[C@H]1C 1914236551 OFCPQNBKTFXZLK-PKFCDNJMSA-N 314.223 3.116 10 10 DGCE C[C@@H](O)c1ccc(N(Cc2ccccc2)C2COC2)c(F)c1 1915733707 RLPQAYBUPKEILD-CYBMUJFWSA-N 301.361 3.284 10 10 DGCE CN[C@H](CC(C)(C)NC(=O)OC(C)(C)C)c1ccccc1O 1928476781 MULVSWXLWNFGNJ-CYBMUJFWSA-N 308.422 3.346 10 10 DGCE CC(C)(C)OC(=O)N[C@H]([C@H](N)c1ccccc1O)C(C)(C)C 1928475770 BGFLCXVBLAERCQ-ZIAGYGMSSA-N 308.422 3.331 10 10 DGCE CN(CC1CCC1)c1ccc(CN)c(Br)c1F 231839828 CVUMUINIVBCUTB-UHFFFAOYSA-N 301.203 3.283 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[C@H](N)c1ccccc1O 1936987045 OIWQXNRAIXYEFV-ZENOOKHLSA-N 320.433 3.333 10 10 DGCE CCN(CC)c1ccc([C@@H](O)[C@@H](C)NC(=O)OC(C)(C)C)cc1 1977935537 PFHANKZQTFDIKC-CJNGLKHVSA-N 322.449 3.479 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H]2CN(CCCCN=[N+]=[N-])C[C@H]2C1 1982242778 RERDGVKIUNWGOH-KBPBESRZSA-N 323.441 3.266 10 10 DGCE O[C@@H]1CCCc2cc(N3CC(OCc4ccccc4)C3)ccc21 1986599001 BWDYBTNYTNJTJO-HXUWFJFHSA-N 309.409 3.462 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@](N)(c2ccccc2O)[C@H]1C(C)(C)C 1991351031 GOGPSZSSXLTYCJ-RDTXWAMCSA-N 320.433 3.212 10 10 DGCE C[C@H](NCC1(Br)CCC1)c1cc(F)ccc1O 2002768449 QKOAAXPUNWMHDQ-VIFPVBQESA-N 302.187 3.500 10 10 DGCE CC1(F)CC(CNCc2c(O)cccc2Br)C1 2013177224 KSDMQBWTOCPLOT-UHFFFAOYSA-N 302.187 3.383 10 10 DGCE C[C@H]1CCO[C@@H]1CN(C)Cc1c(O)cccc1Br 2034984655 LIYDQHAIPYNILG-IINYFYTJSA-N 314.223 3.012 10 10 DGCE CCCN[C@]1(C(=O)O)CCC[C@@H](CSc2nccs2)C1 404035273 HMCIITOXYYJTQU-BXUZGUMPSA-N 314.476 3.248 10 10 DGCE CN(Cc1cc(Cl)cc(Cl)c1O)[C@@H]1C[C@@H]2CC[C@H](C1)N2 2159685836 MKEKQAXECZUKIR-ITGUQSILSA-N 315.244 3.414 10 10 DGCE CC(C)[C@@H]1C[C@H](NCc2c(O)cccc2Br)CO1 706824837 KHDTZZXSTMXSEK-HZMBPMFUSA-N 314.223 3.058 10 10 DGCE CCCNCc1ccc(N2CC[C@H](F)C2)cc1Br 689823874 FCQHHMPYMNNYFB-LBPRGKRZSA-N 315.230 3.497 10 10 DGCE CNCc1ccc(N(CCO)Cc2cccs2)cc1Cl 2171119484 DEKGGHWWZYCIRW-UHFFFAOYSA-N 310.850 3.120 10 10 DGCE CCN[C@H](C)c1ccc(N(C)[C@H](C)C[S@](C)=O)c(Cl)c1 399250252 LGGSUVUKCJSJIT-HTGLOVNISA-N 316.898 3.214 10 10 DGCE CC[C@@H](C)NCc1cnc(Sc2nc(C)ns2)s1 2223631793 AVOPRVDOQMSJEK-SSDOTTSWSA-N 300.478 3.342 10 10 DGCE C[C@H](O)CCCN(C)c1ccc([C@H](C)O)c(Br)c1 2314572923 CXTDENOZDVRBRF-QWRGUYRKSA-N 316.239 3.100 10 10 DGCE CCC1=NN(CC(C)C)C(=O)C1=Cc1ccc2c(c1)OCCO2 2332127774 GYPGVFXKZKUFIV-UHFFFAOYSA-N 314.385 3.105 10 10 DGCE CCNCc1ccc(N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)cc1Br 2329275155 KNLDOWJCFYCFAQ-PCBIJLKTSA-N 321.262 3.403 10 10 DGCE Cc1cocc1C(=O)NCc1ccc(C)c(Br)c1O 2352638784 RWARAAHRWNFOME-UHFFFAOYSA-N 324.174 3.295 10 10 DGCE CN(C)c1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S2)cc1 38541005 VPRJUODWVBYTDW-INIZCTEOSA-N 323.425 3.359 10 10 DGCE O=C(Nc1ccc(O)cc1C(=O)O)c1ccc2ccccc2c1 59312943 DEHNSMQXOUBLDS-UHFFFAOYSA-N 307.305 3.496 10 10 DGCE CCN(/C=C1\SC(=S)N(c2ccccc2OC)C1=O)CC 59397239 COXAARWPGQCFAT-RAXLEYEMSA-N 322.455 3.243 10 10 DGCE CN[C@H](C)c1ccc(N2CCC(CN(C)C)CC2)c(Cl)c1 61697260 UHKYDZDQYWVOJW-CYBMUJFWSA-N 309.885 3.398 10 10 DGCE Oc1cccc(Cl)c1CNc1cnn(C[C@@H]2CCCO2)c1 83552361 GYYOETMTDZMIOJ-LBPRGKRZSA-N 307.781 3.033 10 10 DGCE O=C(O)[C@@H]1CCC[C@@H]1CNCc1cc(Cl)cc(Cl)c1O 89446626 HRIKPOWFQDRLBY-LDYMZIIASA-N 318.200 3.290 10 10 DGCE CCCN(CCC)c1ccc(CN2CCC[C@H]2C(=O)NC)cc1 92099535 JMKJVOVQTFLEOX-SFHVURJKSA-N 317.477 3.023 10 10 DGCE Cc1nc(C[C@H]2CCCN(Cc3cc(C)c(C)cc3O)C2)no1 103135116 NGNJBDTYTPOERZ-OAHLLOKOSA-N 315.417 3.155 10 10 DGCE CC[C@H](N[C@H]1CCO[C@@H]1C)c1cc(Br)ccc1O 134243337 ZJHCCHLRKOXBPW-ICCXJUOJSA-N 314.223 3.373 10 10 DGCE CCc1nc2n(n1)CCC[C@H]2N[C@@H](CC)c1ccccc1O 156314925 LPFBPTBDZMYJOP-UONOGXRCSA-N 300.406 3.122 10 10 DGCE CNCc1ccc(N2CCCSCC2)c(Br)c1 234436021 YRHXUHGLPKBBIQ-UHFFFAOYSA-N 315.280 3.112 10 10 DGCE COc1cccc(CN2C[C@@H](C)OC[C@@H]2c2ccccc2)c1O 245756751 OTYIEMASGWWVBW-RHSMWYFYSA-N 313.397 3.363 10 10 DGCE C[C@H](CNCc1cc(Br)ccc1O)[C@@H]1CCCO1 720531220 XMPPGGSEKHBPDQ-YGRLFVJLSA-N 314.223 3.059 10 10 DGCE CCCN(C)C[C@H]1CCN(Cc2cc3c(cc2O)CCC3)C1 743393382 POWXQBOPHKAMDT-OAHLLOKOSA-N 302.462 3.045 10 10 DGCE C[C@@]1(c2ccccc2)CCN(Cc2cc3c(cc2O)OCO3)C1 755929382 BWJQXEGPDUABIE-LJQANCHMSA-N 311.381 3.285 10 10 DGCE Cc1cc(Br)c(O)c(CN2C[C@@H](C)OC[C@@H]2C)c1 781896040 GMJHFZOKHPYCSJ-WDEREUQCSA-N 314.223 3.072 10 10 DGCE COc1ccc(O)c([C@@H](C)NCc2ccc([C@H](C)N)cc2)c1 817963816 VRECOSXHLSEVFL-QWHCGFSZSA-N 300.402 3.271 10 10 DGCE C[C@@H](N[C@@H]1CCO[C@@H](c2cccnc2)C1)c1cc(F)ccc1O 842916961 MGEICGKTIUYIFJ-CDHAZOANSA-N 316.376 3.497 10 10 DGCE CCNCC1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 843055764 OTLWLGUXDXZUAN-AATRIKPKSA-N 301.478 3.087 10 10 DGCE COc1ccc(O)c([C@@H](C)NCCc2noc3ccccc23)c1 846844475 NDYYPEJEKFJAHJ-GFCCVEGCSA-N 312.369 3.435 10 10 DGCE COc1c(C)cccc1CN[C@H](C)c1cc([N+](=O)[O-])ccc1O 848560030 JFYXAJLBRYGPJC-GFCCVEGCSA-N 316.357 3.468 10 10 DGCE O[C@H]1C[C@@H](NCc2ccc(N3CCCCC3)cc2)C12CCC2 850388999 RLLGTFYFXVAOLM-MSOLQXFVSA-N 300.446 3.070 10 10 DGCE Cc1noc(C)c1[C@H](C)NC(=O)N[C@@H](C)c1ccccc1O 868251819 AUQBBTMXEGSAMZ-UWVGGRQHSA-N 303.362 3.118 10 10 DGCE O=C(C[C@H]1CCCc2ccccc21)NCc1ccc(O)cc1O 910954154 IIFUGLMPEKRUQI-CQSZACIVSA-N 311.381 3.224 10 10 DGCE Cc1cc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc2n[nH]cc12 1137951499 MSLNRTZZBODYNV-UHFFFAOYSA-N 322.328 3.286 10 10 DGCE C/C(=C\c1ccccc1Cl)C(=O)NCc1cc(O)ccc1O 1153884687 FQMXFZJKMKOVEZ-DHZHZOJOSA-N 317.772 3.471 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1ncc2ccccn12 1157051070 PNQSHXJMVAKCBO-UHFFFAOYSA-N 317.348 3.123 10 10 DGCE Cc1ncccc1/C=C/C(=O)N1CCOc2c(F)cc(F)cc21 1437291716 YHUGXVONRLIYQG-SNAWJCMRSA-N 316.307 3.107 10 10 DGCE CC(C)Nc1ccc(F)cc1NC(=O)c1cccc(O)c1O 1445227305 UGQYPTSZYICAHT-UHFFFAOYSA-N 304.321 3.310 10 10 DGCE C[C@@H](NC(=O)c1ccc(F)c(C=O)c1)c1ccc(N(C)C)cc1 1447972745 QLANRGBTKUNCHJ-GFCCVEGCSA-N 314.360 3.195 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)c1cccc2c1C(=O)CC2 1469877037 LDTOAJMICBCYQI-UHFFFAOYSA-N 315.756 3.105 10 10 DGCE CCC[C@H](C)CC(=O)N(C)CCN(C)c1ccc(OC)cc1 1530898377 YXSWMYRKRWCIFY-HNNXBMFYSA-N 306.450 3.416 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)c2c(F)cc(C)cc2F)c1 1622778893 AKHDHTUXLRWGKY-SNVBAGLBSA-N 321.323 3.478 10 10 DGCE CC(C)[C@@H](C(=O)NCc1cccc(Cl)c1O)N1CCCCC1 1653563924 SJINCDQZEHIFCN-HNNXBMFYSA-N 324.852 3.172 10 10 DGCE O=C(CCn1c2c(c3ccccc31)CCCC2)Nc1cnccn1 1850270785 CMSHXIRDLMYOHD-UHFFFAOYSA-N 320.396 3.339 10 10 DGCE N[C@@H]1CCN(c2ccc(OCc3ccccc3)cc2)CC1(F)F 1899881349 FIQQVULZIUIMBX-QGZVFWFLSA-N 318.367 3.438 10 10 DGCE CN(C)c1ccc(CNCc2ncccc2Br)cc1 1927115948 AFKIAIXOUDPTCP-UHFFFAOYSA-N 320.234 3.200 10 10 DGCE C[C@H](CCNC(=O)OC(C)(C)C)N[C@H](C)c1ccccc1O 1928513470 RKOMXAAYHVGAAG-CHWSQXEVSA-N 308.422 3.346 10 10 DGCE Cc1ccc(O)c([C@H]2[C@@H](C(=O)O)CCN2C(=O)OC(C)(C)C)c1 1952792934 JQSNZTFHLOTQTG-SMDDNHRTSA-N 321.373 3.083 10 10 DGCE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1CCOc1ccc(N)cc1 1952989893 AQBSIOSSKGSANK-QWHCGFSZSA-N 306.406 3.199 10 10 DGCE C[C@H]1CN(CCCN=[N+]=[N-])C[C@H]1CCNC(=O)OC(C)(C)C 1962304646 OFBUPDORPOQNQY-QWHCGFSZSA-N 311.430 3.170 10 10 DGCE CC(=O)c1cc(Cl)cc(CN(C)C2CC(F)(F)C2)c1O 1966355416 MRMFMRKXSGCCNT-UHFFFAOYSA-N 303.736 3.478 10 10 DGCE C[C@@H]1CC[C@H](CCNCc2c(O)cccc2Br)O1 1967775945 PBPUEWIJIWVMRC-GHMZBOCLSA-N 314.223 3.202 10 10 DGCE N[C@@H]1CC[C@H]2CN(Cc3cc(Cl)cc(Cl)c3O)C[C@H]2C1 1969033610 FVJQQKIUHUGQDM-OPQQBVKSSA-N 315.244 3.258 10 10 DGCE Cc1onc(COc2ccc(N(C)C)cc2)c1Br 1969678183 QBOYNSGHBAQKKV-UHFFFAOYSA-N 311.179 3.391 10 10 DGCE NN[C@H](COCc1ccccc1)c1ccc(N2CCCC2)cc1 1977934037 IIHWUJBFCWVVSR-LJQANCHMSA-N 311.429 3.008 10 10 DGCE CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)c1ccc(N(C)C)cc1 1977937905 FNWQIKLCNKCIOH-CVEARBPZSA-N 322.449 3.479 10 10 DGCE C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@]1(N)c1ccccc1O 1991568382 LANWQOGMHHPSEX-ACJLOTCBSA-N 320.433 3.213 10 10 DGCE CC(C)(C)OC(=O)c1ccnn1Cc1ccc(Cl)cc1O 2069975990 FNIJJJNMRVRTNA-UHFFFAOYSA-N 308.765 3.246 10 10 DGCE CNC(=O)c1cc(CC(C)C)nn1[C@@H](C)c1ccc(C)cc1O 2070081961 FXNVZOBNJFVRDC-ZDUSSCGKSA-N 315.417 3.065 10 10 DGCE CCc1nn([C@H](C)c2ccc(C)cc2O)c(Cl)c1C(=O)O 2079125952 XNRKWJWVBKRFQL-SECBINFHSA-N 308.765 3.420 10 10 DGCE COc1ccc(Cn2nc(C3CC3)c(C(F)F)c2N)c(O)c1 2079703057 WXUDXNOORWHKDZ-UHFFFAOYSA-N 309.316 3.043 10 10 DGCE Cc1cc(C(=O)NCc2cccc(C)c2O)oc1Br 2139758465 RMYQZHCEZHRJHO-UHFFFAOYSA-N 324.174 3.295 10 10 DGCE COC(=O)c1cc(Br)cnc1Oc1ccc(N)cc1 2278883808 IVPLQSHVNJEBLI-UHFFFAOYSA-N 323.146 3.005 10 10 DGCE CC1CCN(C2=NC(=O)C(=Cc3ccccc3O)S2)CC1 2296680753 RJWRPVHASZHOOT-UHFFFAOYSA-N 302.399 3.094 10 10 DGCE Oc1ccccc1CN1CCN(CC=Cc2ccccc2)CC1 2297318475 LGVQHNODQDQPFX-UHFFFAOYSA-N 308.425 3.223 10 10 DGCE CC(=CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C1CC1 2297602883 DULCRNRYVJGRAP-QGZVFWFLSA-N 315.413 3.256 10 10 DGCE CN(C(=O)C=Cc1cccc2cccnc12)c1ccc(Cl)nn1 2297605180 SKRXTCDSIKFJIN-UHFFFAOYSA-N 324.771 3.354 10 10 DGCE COc1ccc(O)c(CNC(=O)C=CSCc2ccco2)c1 2298098785 KWXWPXXAOKYGNS-UHFFFAOYSA-N 319.382 3.057 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)NC[C@H]1C[C@H]1c1ccccc1 2307987120 FCDWNAWUFZOIRS-CVEARBPZSA-N 309.365 3.031 10 10 DGCE C[C@H](O)c1ccc(N2C[C@@H]3C[C@H]2[C@@H]2C[C@@H]32)c(Br)c1 2308716384 QBRVUQDYADKYDW-LBSLZEFRSA-N 308.219 3.347 10 10 DGCE CCOC(=O)c1cnc(SC[C@@]2(C)CCCOC2)s1 2344940136 KQEANFYQAATURR-ZDUSSCGKSA-N 301.433 3.229 10 10 DGCE C=Cn1cc(CNCc2ccc(C)c(Br)c2O)cn1 2352693650 QOCFHKGTQPFJCM-UHFFFAOYSA-N 322.206 3.050 10 10 DGCE CC(C)(C)[C@H](Cn1ccnc1)NCc1c(O)cccc1Cl 83552079 JOKXQJHCKKZVCW-HNNXBMFYSA-N 307.825 3.447 10 10 DGCE CC(=O)c1cccc(NC(=O)[C@@H](C)Cc2ccc(O)c(O)c2)c1 96785270 QGTSXGXLKHBDLP-NSHDSACASA-N 313.353 3.118 10 10 DGCE CCN[C@H]1C(=O)Nc2cc(N(C)[C@@H](C)C3CC3)c(Cl)cc21 118705399 FWHIYJORPBAXNI-BJOHPYRUSA-N 307.825 3.177 10 10 DGCE CC(C)Cc1nn(-c2ccc(N)cc2)c(O)c1Br 131713865 JIYJILYSAXNZRZ-UHFFFAOYSA-N 310.195 3.121 10 10 DGCE CCNCc1ccc(N2CC[C@@H](N3CCCC3)C2)c(Cl)c1 164065466 VZLDQVDSLYTCMT-OAHLLOKOSA-N 307.869 3.124 10 10 DGCE CCCn1ncc(Br)c1C(=O)Cc1ccc(N)cc1 164081934 QLOYJPOUYMLNII-UHFFFAOYSA-N 322.206 3.063 10 10 DGCE CC[C@H](N[C@H](C)[C@@H](C)CO)c1cc(Br)ccc1O 166903704 MBJNKSNVULWBPJ-CWSCBRNRSA-N 316.239 3.212 10 10 DGCE Cc1ccc(O)c(CNC2CCN(C(=O)c3ccccc3)CC2)c1 172112647 AIXOEGOVVZQNBF-UHFFFAOYSA-N 324.424 3.095 10 10 DGCE O=C(Nc1ccccc1)[C@@H]1CCCN(Cc2ccccc2O)C1 179554836 LRLIWSYRPOJTEO-MRXNPFEDSA-N 310.397 3.243 10 10 DGCE Cc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C)c(O)c1O 182415961 PYRHKCWMBSELNZ-UHFFFAOYSA-N 312.369 3.041 10 10 DGCE Cc1cccc(/C=C/C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 186418954 APTOUCJWGUWTAS-KGXGESDWSA-N 311.381 3.167 10 10 DGCE C/C=C/C[C@H](CO)NC(=O)c1cc(C)n(-c2ccccc2)c1C 187194028 RNCABILLTNNICY-DWTRPJMMSA-N 312.413 3.151 10 10 DGCE O=[N+]([O-])c1cc(I)c2c(O)csc2c1 306823994 VFJZDDCSOMWVKI-UHFFFAOYSA-N 321.095 3.120 10 10 DGCE CN(C)c1ccc([C@@H](N)Cc2ccc(Br)o2)cc1 385979342 NWDHVJSRNONPSQ-ZDUSSCGKSA-N 309.207 3.351 10 10 DGCE C[C@@H](CCOCc1ccccc1)NCc1cccc(O)c1O 389942843 OAELUOBUIJBWGE-AWEZNQCLSA-N 301.386 3.183 10 10 DGCE Oc1cccc2c1[C@H](NC1[C@H]3CN(Cc4ccccc4)C[C@H]13)CC2 398405530 PVXDGAAVJMQWJY-OKZBNKHCSA-N 320.436 3.100 10 10 DGCE CC[C@@H](NC[C@@H]1c2ccccc2C(=O)N1C)c1ccccc1O 528009972 ZTURPXRQXSUGPL-IAGOWNOFSA-N 310.397 3.260 10 10 DGCE O=C(O)/C=C/c1ccc(N2C[C@H]3CC[C@H]3C2)cc1Br 688353741 YQEXECJQQAHMKV-FVSXHXCTSA-N 322.202 3.393 10 10 DGCE Cc1cc(CN)ccc1N1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 705947049 VCOIXVRSFGRCEL-PMACEKPBSA-N 321.468 3.022 10 10 DGCE Oc1c(F)cc(Br)cc1CNC/C=C/C1CC1 715805503 XGDCXGCWWILYPS-OWOJBTEDSA-N 300.171 3.350 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)c1cccnc1 746173673 KFBCUGDNYZQSIU-HNNXBMFYSA-N 311.429 3.300 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)OC[C@@H]1CCc2ccccc2C1 759589789 SUSAAVNMNULICY-YYRKOSNBSA-N 324.376 3.459 10 10 DGCE C[C@@H](N[C@@H]1CCCN(C)C1)c1ccc(N2CCCCC2)cc1 765280502 LYORYBVPPPJCMY-SJLPKXTDSA-N 301.478 3.422 10 10 DGCE c1cc2c(cc1CN[C@@H]1CCC[C@H]([C@@H]3CCOC3)C1)CCO2 798494813 SXVKHDBKGBFYKI-CGTJXYLNSA-N 301.430 3.306 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[C@H]1C 807557094 UVMHLCJIFOEYDX-RHSMWYFYSA-N 303.450 3.471 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(F)ccc1C 808094249 HLLHZQPWBSOBGL-UHFFFAOYSA-N 308.349 3.255 10 10 DGCE Oc1c(Cl)cccc1CN[C@H]1COc2ccc(F)cc2C1 809791964 CWJXDLMMLBOAGL-CYBMUJFWSA-N 307.752 3.278 10 10 DGCE Cc1cc(O)c(CNCCc2ccc(CO)cc2)c(Cl)c1 840937992 YTOCQTHEYXROFR-UHFFFAOYSA-N 305.805 3.179 10 10 DGCE COc1cccc(CN[C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)c1O 842786001 YYOLGJFJGPBLQD-GXTWGEPZSA-N 321.417 3.001 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CC[C@@H]3C[C@H]3C2)cc1 844855881 CECPOLPHKJHBMP-OAGGEKHMSA-N 316.445 3.026 10 10 DGCE COc1cccc([C@@H](C)N[C@H]2COc3ccc(F)cc3C2)c1O 846173317 RBNRFVOOALFJGD-BXUZGUMPSA-N 317.360 3.194 10 10 DGCE CN(C)c1ccc(CN[C@H](C2CC2)[C@@H]2CCCCO2)cc1F 848560624 OXMRIRCCUOYKJK-ZWKOTPCHSA-N 306.425 3.329 10 10 DGCE CCc1cccc(CN2CCC(CN3CCCC3)CC2)c1O 848880229 CNLHLVAOGHIAAB-UHFFFAOYSA-N 302.462 3.262 10 10 DGCE CCN(CC)c1ccc(CNc2nnc(C3CC3)n2C)cc1F 849347145 TWZGCKLOHGTJII-UHFFFAOYSA-N 317.412 3.290 10 10 DGCE CO[C@@H](CN(Cc1ccc(N(C)C)cc1)C(C)C)[C@@H]1CCOC1 851732051 HZOMSLWGGLHQIQ-MJGOQNOKSA-N 320.477 3.015 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)C3=CC[C@H](C)CC3)C2)cc1 855226788 UESRWFCGQDETGD-HOCLYGCPSA-N 314.429 3.137 10 10 DGCE COc1cc(CNc2ccc(F)nn2)c(O)c(C(C)(C)C)c1 857224875 FOCAFDPGKWEANO-UHFFFAOYSA-N 305.353 3.240 10 10 DGCE COc1cc(N2CCCC3(CC2)CC3)c([N+](=O)[O-])cc1OC 858836357 ZRWMYXAGNHFNOR-UHFFFAOYSA-N 306.362 3.383 10 10 DGCE C[C@H](NC(=O)c1ccc2c(c1)[C@@H](CN)CCC2)c1ccccc1O 870988404 OQRXMJWEWALXLT-XJKSGUPXSA-N 324.424 3.262 10 10 DGCE C[C@@H](N[C@H](c1ncccn1)C1CC1)c1cc(F)cc(F)c1O 903326704 MUWKNKVFYZKIBL-OTYXRUKQSA-N 305.328 3.262 10 10 DGCE Cc1ccc(O)c([C@H](C)NCC[C@H](N(C)C)C(F)(F)F)c1 926966238 ZILJZUKALZMCBV-FZMZJTMJSA-N 304.356 3.234 10 10 DGCE CN(Cc1ccccc1O)C(=O)NC[C@H]1CC(C)(C)OC1(C)C 927616455 SJLWSYDBDCNIET-CQSZACIVSA-N 320.433 3.127 10 10 DGCE CC[C@@H](C)Oc1ccc(C(=O)NCc2cccc(O)c2O)cc1 1123978205 RHDLXNJJJVEDHI-GFCCVEGCSA-N 315.369 3.205 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC/C=C/C1CC1 1251511542 LQLVRKUPCVKJCY-SNAWJCMRSA-N 313.445 3.394 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)Nc1ncsc1C1CC1 1303223471 QWMYJELENATQGN-QHHAFSJGSA-N 302.355 3.084 10 10 DGCE CC(C)(NC(=O)c1cc2cc(O)c(O)cc2s1)C(F)(F)F 1332135643 KKBGZBUSGHEQPO-UHFFFAOYSA-N 319.304 3.383 10 10 DGCE Cn1cnc(/C=C/C(=O)N(CC(F)(F)F)c2ccccc2)c1 1537429828 LHFQYJKJNPNXLW-BQYQJAHWSA-N 309.291 3.029 10 10 DGCE CC[S@](=O)c1ccccc1C(=O)N[C@H](C)c1ccccc1O 1632246452 JCCZWLQJIXBUMI-IPQOISQHSA-N 317.410 3.011 10 10 DGCE CC(=O)c1c[nH]c(C(=O)NCc2c(O)ccc3ccccc23)c1 1635964895 DAXIQBWYKUYPPE-UHFFFAOYSA-N 308.337 3.006 10 10 DGCE O=C(CSc1ccccc1)NCc1ccc2cccnc2c1O 1638569639 JSRNOPHVZDEGRW-UHFFFAOYSA-N 324.405 3.349 10 10 DGCE CCc1nnc(NCc2ccc(N(CC)CC)cc2)nc1CC 1642095561 RKLQVVVWUKTXAA-UHFFFAOYSA-N 313.449 3.455 10 10 DGCE O=C(/C=C/c1ccccc1)NCc1ccc2cccnc2c1O 1643284563 GXMPTVPUKVYVDB-DHZHZOJOSA-N 304.349 3.270 10 10 DGCE COc1ccc(CNC[C@]2(NC(C)=O)CCCC[C@@H]2C)cc1C 1666043240 KBNRVCAYORXKFN-HNAYVOBHSA-N 318.461 3.178 10 10 DGCE CCOC(=O)[C@H]1CCCN(/N=N/c2ccc(OCC)cc2)C1 1860482825 QLYCFUCPRJNNAU-BZSIDJSBSA-N 305.378 3.359 10 10 DGCE Oc1c(Cl)cccc1CN[C@@H]1CCOC[C@H]1C(F)(F)F 1916615486 KQKOWEYCNYHHRB-MWLCHTKSSA-N 309.715 3.103 10 10 DGCE Cc1cc(O)c([C@@H]2C(=O)CCN2C(=O)OC(C)(C)C)cc1C 1952913506 ZBTDVUQSNUEEMF-OAHLLOKOSA-N 305.374 3.260 10 10 DGCE Cc1cccc(N)c1N[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C 1959373611 KUEYBDUAEZKDDX-UONOGXRCSA-N 305.422 3.435 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H]1CNCc1ccc(F)cc1O 1964557057 UXYKDQCFDGHEMO-CQSZACIVSA-N 324.396 3.020 10 10 DGCE CN[C@@H](c1ccccc1O)[C@H]1C=CCN(C(=O)OC(C)(C)C)C1 1976513180 MMBISOWQESSKPK-XJKSGUPXSA-N 318.417 3.076 10 10 DGCE CC(C)(C)OC(=O)NC[C@H]1CCCN(Cc2ccc(N)cc2)C1 1977925307 JXJOGKRFOZUTCM-OAHLLOKOSA-N 319.449 3.006 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N(C)c1ccc(N)cc1 1977950737 JTLIPRSHJBORFX-CJNGLKHVSA-N 319.449 3.351 10 10 DGCE OCc1ccc(N2CCC(=CBr)C2)cc1Cl 1981328584 PFJLAMBUMATQTH-UHFFFAOYSA-N 302.599 3.321 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(CCCCN=[N+]=[N-])C[C@@H]21 1982245222 DAQUTYJYDSHIQE-HZSPNIEDSA-N 323.441 3.312 10 10 DGCE C[C@H](F)[C@H]1CCCN1c1ccc(CN)c(Br)c1 2010593104 UUQZDLKKFIYQTI-TVQRCGJNSA-N 301.203 3.235 10 10 DGCE CN(CC1(CF)CCC1)c1ccc(CN)c(Br)c1 2047711741 HXIFHPJXTKDSCE-UHFFFAOYSA-N 315.230 3.484 10 10 DGCE Cc1ccc(O)c(Cn2nc(C3CC3)c(C(=O)O)c2C(F)F)c1 2079087095 FOJPHFAWPIHCKQ-UHFFFAOYSA-N 322.311 3.459 10 10 DGCE C[C@@H]1CCC[C@H](S(=O)(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)C1 2155555358 MXODGWUTMSVVBJ-UPJWGTAASA-N 300.428 3.060 10 10 DGCE CCN[C@H](C)c1ccc(N2CCOC[C@@H]2CF)c(Cl)c1 2182604984 JTKKAFYXUIVFGS-YPMHNXCESA-N 300.805 3.185 10 10 DGCE Cc1nc2ccc(C(=O)O)cn2c1N=Nc1ccc(C(=O)O)cc1 2295926561 KPZPKYCXEXBDCG-UHFFFAOYSA-N 324.296 3.455 10 10 DGCE COCC1(NCc2ccc(C)c(Br)c2O)CCC1 2327805049 YGYXAWJKZYWASL-UHFFFAOYSA-N 314.223 3.122 10 10 DGCE Cc1ccc(N=NN2CCN(C(=O)c3ccco3)CC2)c(C)c1 2330209631 XBGZJHNYQDZABY-UHFFFAOYSA-N 312.373 3.353 10 10 DGCE Cc1ccc(S(C)(=O)=O)cc1N[C@@H](C)c1ccccc1O 36961016 VJHJWWQQRNHQHF-LBPRGKRZSA-N 305.399 3.277 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)CCCC[C@@H](C)C(C)=O)c1 153928721 DCMOPSPVXDZUGI-CHWSQXEVSA-N 321.417 3.364 10 10 DGCE Cc1cc(C(=O)N2CC[C@]3(CCOC3)C2)c(C)n1-c1ccccc1 154678088 PMEHMVBXUCXADW-FQEVSTJZSA-N 324.424 3.347 10 10 DGCE CNCc1ccc(N(C)[C@@H]2CCO[C@H]2C)c(C(F)(F)F)c1 160094326 HWAZEVKRZSHYMF-GXFFZTMASA-N 302.340 3.038 10 10 DGCE CCN(CC)c1ccc(CNC(=O)CC[C@@H]2CCCOC2)cc1 175359034 AFMBDMKLFDXTCP-KRWDZBQOSA-N 318.461 3.356 10 10 DGCE Oc1c(Br)cccc1CNOCCC(F)(F)F 314679017 DMOPWDJCNVVKAL-UHFFFAOYSA-N 314.101 3.128 10 10 DGCE NCc1ccc(N2CC[C@H](OCc3ccccc3)C2)c(F)c1F 383810029 DXOVDBZVMRDKNZ-HNNXBMFYSA-N 318.367 3.219 10 10 DGCE CC(C)N[C@@]1(C(=O)O)CCC[C@H](CSc2nccs2)C1 403809340 MCRHQKGIAQJKTR-FZMZJTMJSA-N 314.476 3.247 10 10 DGCE Cc1ccncc1N(C)C(=O)/C=C\c1cnc2ccccc2n1 492612564 BCLQKBFAXOXEJG-FPLPWBNLSA-N 304.353 3.009 10 10 DGCE Oc1ccc(Br)cc1CNCC[C@H]1CCCOC1 527739365 MRNBESDGUCVONP-LLVKDONJSA-N 314.223 3.061 10 10 DGCE Oc1c(Cl)cccc1CNC[C@@H](n1cccn1)C(F)(F)F 529637697 VPHHNDUHSGEFBW-LLVKDONJSA-N 319.714 3.135 10 10 DGCE Oc1cc(Br)ccc1CNCCc1ccccc1 701027886 OSTGIYZLXGBRBT-UHFFFAOYSA-N 306.203 3.487 10 10 DGCE O=C(NCc1ccccc1O)c1csc(C(F)(F)F)c1 718201714 RUFDIKOLOGCTMH-UHFFFAOYSA-N 301.289 3.403 10 10 DGCE CCOc1ccc(O)c(CNCc2cn3cc(C)ccc3n2)c1 729680840 BWFFMCJSSFDJRD-UHFFFAOYSA-N 311.385 3.037 10 10 DGCE CC[C@@H](NCc1cn(C)nn1)c1ccc(Cl)c(Cl)c1O 775552024 RQJKRQPDYGRUPG-LLVKDONJSA-N 315.204 3.068 10 10 DGCE Cc1cc(Br)c(O)c(CN[C@@H]2CCO[C@@H](C)C2)c1 781636928 UWNBZISDQLFEJY-CMPLNLGQSA-N 314.223 3.120 10 10 DGCE CCCN(CCC)c1ccc(CN2C[C@@H]3C[C@]3(CO)C2)cc1 783735863 UBXXJIGRWLIDDQ-PKOBYXMFSA-N 302.462 3.127 10 10 DGCE C[C@H](N[C@H]1CNCC[C@@H]1C)c1ccc(Cl)c(Cl)c1O 817968763 MBVRPDBONKOVEK-AUTRQRHGSA-N 303.233 3.348 10 10 DGCE Cc1cc(O)c(CN2CC[C@H]([C@H](O)C(F)(F)F)C2)cc1Cl 826097030 MNGMTFPJIVCAMD-ZANVPECISA-N 323.742 3.099 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCC[C@@H](c3ccnn3C)C2)cc1 835024881 AHSGZNBZIYEMFR-WLPBJKJWSA-N 324.472 3.379 10 10 DGCE CN(C)c1ccc(/C=C\CN(CCCO)CC(F)(F)F)cc1 835027392 LKJDKCGYHJKIIM-HYXAFXHYSA-N 316.367 3.013 10 10 DGCE Cc1nccn1CCCCNC/C=C/c1ccc(N(C)C)cc1 835041513 XUBDEOZZLGIDMY-VOTSOKGWSA-N 312.461 3.341 10 10 DGCE Cc1cc(O)c(CN2CCCN(C(=O)C(C)C)CC2)c(Cl)c1 840911334 WKZSWYHTHNEKID-UHFFFAOYSA-N 324.852 3.044 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@H](CN)C2CCCCC2)cc1 841039399 NLVOZRPHMKQYNE-LIXSYLKWSA-N 301.478 3.263 10 10 DGCE CC[C@H](N[C@H]1CCN(c2ccc(OC)cc2)C1)C1CCOCC1 850487138 GJQVORLNWIVZII-LPHOPBHVSA-N 318.461 3.069 10 10 DGCE CC[C@H](CC(C)C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855222822 AZUDLAYSFOBQRU-CVEARBPZSA-N 318.461 3.462 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CC[C@H](C)CC3)C2)cc1 855226357 RLYNJQWQTBCKSR-BZUAXINKSA-N 316.445 3.216 10 10 DGCE CCOC(=O)C1=CC[C@@H](N[C@@H](C)c2cc(Cl)ccc2O)C1 858505749 PMSJHAISZFEMIX-GXFFZTMASA-N 309.793 3.348 10 10 DGCE Fc1cc(CNCC[C@H]2CCCS2)ccc1N1CCOCC1 865724903 MRWRBCHNCJVEPX-OAHLLOKOSA-N 324.465 3.038 10 10 DGCE CC[C@@H](NCCOCC(=O)OC(C)(C)C)c1ccc(C)cc1O 866437762 NWNNZUOCHYFLER-OAHLLOKOSA-N 323.433 3.100 10 10 DGCE Cc1ccc(O)c(CNC(=O)C2C[C@@H]3CCCC[C@H](C2)C3=O)c1 869411563 WRSLITNYYUUDMI-YIONKMFJSA-N 315.413 3.102 10 10 DGCE COc1cc(C)cc(CNC[C@H]2CCC23CCOCC3)c1O 895457670 IEPAHWRABSKYLM-OAHLLOKOSA-N 305.418 3.006 10 10 DGCE Cc1ccc([C@H](C)N[C@@H](CCN(C)C)c2cccnc2)c(O)c1 903379401 GLAKDISMNUEMAK-YJBOKZPZSA-N 313.445 3.439 10 10 DGCE O=C(N[C@@H](CCc1ccccc1)C(F)F)c1cccc(O)c1O 1300878992 SWQQBUUQZXGFBQ-ZDUSSCGKSA-N 321.323 3.094 10 10 DGCE CO[C@H]1CC[C@H](NCc2cc(C)cc(Br)c2O)C1 1343464730 QFOALMBNSKIEIM-RYUDHWBXSA-N 314.223 3.120 10 10 DGCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC/C=C\Cl)c1 1456887754 OOCBMHLSGJKWLG-DAXSKMNVSA-N 316.788 3.389 10 10 DGCE CCc1cccc(C(=O)NCc2ccc3cccnc3c2O)c1O 1557121979 DXPHKSMCOJOOOY-UHFFFAOYSA-N 322.364 3.138 10 10 DGCE Cc1cccc(-n2c(C)cc(CNC(=O)c3cc[nH]n3)c2C)c1 1557887228 FEBCNTXVMRIMTO-UHFFFAOYSA-N 308.385 3.056 10 10 DGCE O=C(c1cccc(O)c1O)N1CCc2sc(Cl)cc2C1 1570695703 VVKZMRRFOVUDIJ-UHFFFAOYSA-N 309.774 3.011 10 10 DGCE CC(C)C[C@H]1CCCCCN1C(=O)Cc1ccc(O)c(O)c1 1586491688 ZXYWDZBDMTUXFB-OAHLLOKOSA-N 305.418 3.458 10 10 DGCE CNc1ccc(Cl)c(C(=O)NCc2ccc(OC)cc2O)c1 1617752491 DHHQOPQUVUKQKE-UHFFFAOYSA-N 320.776 3.026 10 10 DGCE c1cc(N2CCOCC2)ccc1CNC[C@H]1C[C@@H]1C1CCCC1 1621107762 YPKBEQNULBQDNF-UYAOXDASSA-N 314.473 3.439 10 10 DGCE Cc1ccc(O)c(CNC(=O)[C@@H](C)Oc2ccc(F)c(F)c2)c1 1629736539 JAHOOKWZPLGREK-LLVKDONJSA-N 321.323 3.063 10 10 DGCE C[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@H](c2ccco2)C1 1629953457 AFGMZQQYALFLML-JSGCOSHPSA-N 315.369 3.233 10 10 DGCE COc1cc(C)c(C(=O)Nc2cccc(N(C)C)c2)cc1OC 1866044375 ZFAUZWCBZANPPB-UHFFFAOYSA-N 314.385 3.331 10 10 DGCE Cc1ccc2c(C)c(C(=O)Nc3ccc(N)cc3)c(=O)oc2c1 1866294739 UAMGFYNQEYWXEC-UHFFFAOYSA-N 308.337 3.244 10 10 DGCE C[C@H](c1ccccc1O)N(C)c1ncc(Br)cc1N 1877517822 NKDICMCIZBEZNM-SECBINFHSA-N 322.206 3.329 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@@H](Nc1ccc(N)cc1)C2 1894518336 MYVDHRQXORINDM-XEZPLFJOSA-N 317.433 3.326 10 10 DGCE [N-]=[N+]=NCCC[S@@](=O)Cc1ccc(Br)cc1 1902023029 DZHFYIHVLZLSNB-MRXNPFEDSA-N 302.197 3.398 10 10 DGCE CC(C)n1ccnc1CNCc1c(O)cccc1Br 1913290831 LKSUFOJMEMNMEY-UHFFFAOYSA-N 324.222 3.222 10 10 DGCE C[C@@H](CCO)N(Cc1ccccc1)c1ccc(CN)c(F)c1F 1915388805 RFBWDLJTVZOHCD-ZDUSSCGKSA-N 320.383 3.201 10 10 DGCE CC(C)CNCc1ccc(N2CC(F)C2)c(Br)c1 1917006094 CTEBDVQLERFIPY-UHFFFAOYSA-N 315.230 3.353 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[C@@H](N)c2ccccc2O)C1 1936969850 GDVWPDKMWXGSFK-GZBFAFLISA-N 320.433 3.476 10 10 DGCE CSC1CN(c2ccc([C@H](C)N)cc2Br)C1 1939041591 HSMZGLXKZBHWQJ-QMMMGPOBSA-N 301.253 3.020 10 10 DGCE C[C@@H]1CCN(c2ccc(CO)c(Br)c2)C[C@H]1F 1946883507 UWXDAJJBTNTAGD-NOZJJQNGSA-N 302.187 3.126 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1C[C@H](CCNc2ccc(N)cc2)C1 1961198301 CXCRMAHDOAQKLQ-NNUKFRKNSA-N 305.422 3.374 10 10 DGCE O=S(=O)(C=Cc1ccccc1)Nc1ccc(O)c(Cl)c1 1963611482 HISAEKQSSSRUKW-UHFFFAOYSA-N 309.774 3.458 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccccc2N)[C@H]2C[C@@H]21 1974961203 SXOKUJOLLCHRSM-ZLDLUXBVSA-N 303.406 3.079 10 10 DGCE C[C@@H](CCCN(C)C(=O)OC(C)(C)C)NCc1ccc(N)cc1 1980084016 DFNJDGSKBBFOIZ-AWEZNQCLSA-N 321.465 3.394 10 10 DGCE O[C@H]1CCCc2cc(N3CCN(Cc4ccccc4)CC3)ccc21 2012685240 JDMWNLPYDZGHIN-NRFANRHFSA-N 322.452 3.379 10 10 DGCE C[C@H]1C[C@@H](CN(C)Cc2ccc(Br)cc2O)CO1 2040276889 VFXPGIBHRGHOPG-QWRGUYRKSA-N 314.223 3.012 10 10 DGCE CN1CCc2cc([C@H](N)c3coc(Br)c3)ccc21 2044748551 STUMEOKHUONACZ-AWEZNQCLSA-N 307.191 3.083 10 10 DGCE NCc1cc(F)c(N2CC[C@H](CCF)C2)cc1Br 2047230101 CWLLWXZQUWGUTL-VIFPVBQESA-N 319.193 3.233 10 10 DGCE CN(CCCN=[N+]=[N-])C[C@H](O)c1cccc(Br)c1 2050511431 TXFCKNGMXGLMHI-LBPRGKRZSA-N 313.199 3.115 10 10 DGCE CNCc1ccc(N2CCC[C@H]2[C@H](C)F)c(Br)c1 2060891645 WHRFHOGQYHOKQS-GWCFXTLKSA-N 315.230 3.495 10 10 DGCE CCOC(=O)c1cc(CC(C)C)nn1Cc1cc(F)ccc1O 2069968395 RRPXAWNDMYMONQ-UHFFFAOYSA-N 320.364 3.151 10 10 DGCE COc1ccc([C@@H](C2CC2)n2nc(C)c(N)c2Cl)c(O)c1 2079978529 BVBKCEFLUDHNEP-CQSZACIVSA-N 307.781 3.141 10 10 DGCE CN(C[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32)c1ccc(CN)cc1Br 2134481662 JVRGEOSTQCFHJF-CGOYYEKTSA-N 321.262 3.246 10 10 DGCE CCCN[C@](CO)(CSc1nccs1)C1CCCC1 2142993506 RUMPCOVPCAZWNT-CQSZACIVSA-N 300.493 3.156 10 10 DGCE CN1CCc2cc([C@H](O)[C@H](N)c3ccsc3Cl)ccc21 2147447213 SMSFWXNBSAQAOX-KGLIPLIRSA-N 308.834 3.127 10 10 DGCE CN(Cc1csc(C(F)F)n1)c1ccc(CN)c(F)c1 2188711381 SJLBPNDETMQGSJ-UHFFFAOYSA-N 301.337 3.315 10 10 DGCE CNCC[C@@H](Nc1c(N)cccc1Br)C(C)(C)C 2264025175 MUVUTFHQCLJXFI-GFCCVEGCSA-N 314.271 3.467 10 10 DGCE O=C1NC(=S)SC1=Cc1ccc(CSC(F)F)o1 2294523410 PRUARROSAJBIII-UHFFFAOYSA-N 307.368 3.224 10 10 DGCE CC1CCN(C2=NC(=O)C(=Cc3ccc(O)cc3)S2)CC1 2297312910 YXVQVHPYLWLIEP-UHFFFAOYSA-N 302.399 3.094 10 10 DGCE COc1cc(C=C2C(=O)Nc3cc(Cl)ccc32)cc(O)c1O 2297476269 PESGHZBRPODIGP-UHFFFAOYSA-N 317.728 3.253 10 10 DGCE COc1ccc(N(C)C(=O)C=Cc2cncc(F)c2)cc1F 2298677593 JXBQBZDLPUTJRQ-UHFFFAOYSA-N 304.296 3.045 10 10 DGCE O=C1C(=CN2CCCCC2)SC(=S)N1c1ccccc1 2313610374 WWCQHHLXEXAKSP-UHFFFAOYSA-N 304.440 3.379 10 10 DGCE CCN[C@@H](C)c1ccc(N2C[C@@H](F)[C@H](OC)C2)cc1Cl 2353969600 BKQAYRFHMKJCHV-COLVAYQJSA-N 300.805 3.184 10 10 DGCE Cc1ccc(OCc2ccc(F)cc2Br)c(N)n1 50440851 HSPADRHPPWIESD-UHFFFAOYSA-N 311.154 3.453 10 10 DGCE CCCCN1C(=O)/C(=C/C=C\c2ccco2)C(O)=NC1=S 56663627 SULBKQYHOFOKGZ-XWBYBSRJSA-N 304.371 3.103 10 10 DGCE Cc1c(OCc2ccccc2)c(=O)ccn1Cc1ccc(N)cc1 57875185 VXDWETZFBKOMNW-UHFFFAOYSA-N 320.392 3.366 10 10 DGCE O=C1NC(=S)S/C1=C/c1ccc(Br)c(F)c1 121696817 RUDBYMYXYGKSNB-XBXARRHUSA-N 318.192 3.077 10 10 DGCE CCOc1cccc(CN(C)Cc2ccc(Cl)nc2)c1O 125730448 FZUGFHZSVDOTNH-UHFFFAOYSA-N 306.793 3.471 10 10 DGCE Cc1ccc(N(CC(=O)O)Cc2c(O)cccc2Cl)cc1 128811225 FOHUWEALCFKXKF-UHFFFAOYSA-N 305.761 3.445 10 10 DGCE C[C@H]1[C@@H](C)SCCN1c1ccc(CN)c(C(F)(F)F)c1 132159391 YUZKWFMHAPUYLO-VHSXEESVSA-N 304.381 3.494 10 10 DGCE COc1cc(C)cc(CN2CCC(OC(C)(C)C)CC2)c1O 164492033 HODAIMSTQBKTGW-UHFFFAOYSA-N 307.434 3.489 10 10 DGCE Cc1ccc([C@@H](C)NCc2cn(C)nc2C(F)(F)F)c(O)c1 186151881 WFPOFDUPWMHSRX-SNVBAGLBSA-N 313.323 3.304 10 10 DGCE CCOc1cccc(CN[C@@H](C)CN2CCCCCC2)c1O 187569210 WJDPPFNMHOGOLQ-HNNXBMFYSA-N 306.450 3.145 10 10 DGCE Cc1ccc(O)c(CN2CCC(Nc3nccs3)CC2)c1 189961159 RCIYHGJWOIORAZ-UHFFFAOYSA-N 303.431 3.234 10 10 DGCE C[C@@H](NCCN(C)Cc1ccccc1)c1ccc(F)c(F)c1O 191215534 LVBGEMSYMTXDBB-CYBMUJFWSA-N 320.383 3.453 10 10 DGCE CCOc1ccc(NC(=O)N(C(C)=O)c2ccc(N)cc2)cc1 217281499 JTZXHPXYPONMBG-UHFFFAOYSA-N 313.357 3.253 10 10 DGCE O=C(O)c1cc(Sc2ncc([N+](=O)[O-])s2)ccc1F 226766415 SKWACYDPSWRWEU-UHFFFAOYSA-N 300.292 3.040 10 10 DGCE CC(C)(C)OC(=O)N[C@H](CC(=O)O)c1cc(Cl)ccc1O 238145157 HPYXHUKNOXPQHY-SNVBAGLBSA-N 315.753 3.086 10 10 DGCE COc1c(I)ccc2c(O)csc12 307121817 VAFJGPFHQSNGAE-UHFFFAOYSA-N 306.124 3.220 10 10 DGCE Oc1c(F)cccc1CN[C@@H]1CCCN(Cc2ccccc2)C1 393408213 VGQIQVBFEKZRDG-QGZVFWFLSA-N 314.404 3.286 10 10 DGCE c1cc(N2CCOCC2)ccc1CNCC[C@H]1C[C@H]2CC[C@H]1C2 394188835 SFXACSLBCKAJOM-FHWLQOOXSA-N 314.473 3.439 10 10 DGCE CN(CC(C)(F)F)c1ccc(CN)c(Br)c1F 692344731 VKTNQBVYDNKCRI-UHFFFAOYSA-N 311.145 3.138 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)c1cccn1Cc1ccccc1 703112055 MBTCOCDOWBGJKR-OAHLLOKOSA-N 309.373 3.451 10 10 DGCE COc1ccc(NCc2c(O)cccc2Br)cn1 706875019 KXOFQKMQDWYWHX-UHFFFAOYSA-N 309.163 3.170 10 10 DGCE CCNCc1ccc(N2C[C@@H](F)[C@H](F)C2)c(Br)c1 714700621 UJAPIXXISGJKOU-VXGBXAGGSA-N 319.193 3.055 10 10 DGCE COc1ccc(O)c([C@H](C)NCCN(C)C2CCCCC2)c1 756459249 ZAKMUPYQNZFXSL-AWEZNQCLSA-N 306.450 3.316 10 10 DGCE COc1cc(Cl)cc(CN2CCC[C@H](OC(F)F)C2)c1O 761213505 AFHDHQLWCWLJOC-NSHDSACASA-N 321.751 3.258 10 10 DGCE CC[C@H]1CN(Cc2cc3c(cc2O)CCC3)CCN1CC(F)F 765718113 WWNITSRGXWPHJG-INIZCTEOSA-N 324.415 3.042 10 10 DGCE CCCN(CCC)c1ccc(CNCCc2cnccn2)cc1 774834108 YELXFSFIJSPCNM-UHFFFAOYSA-N 312.461 3.435 10 10 DGCE C[C@@H](N[C@@H]1CNCCC1(F)F)c1cccc(C(F)(F)F)c1O 817981060 PKFOQNNQCIKJRW-LDYMZIIASA-N 324.293 3.059 10 10 DGCE Cc1ncccc1/C=C\C(=O)N(C)Cc1ccc(N(C)C)cc1 822265632 UKLHCHVAWQGFJR-XFXZXTDPSA-N 309.413 3.128 10 10 DGCE COCC1(C2CCC2)CN(Cc2ccc(N(C)C)cc2C)C1 827011698 MBSHTXCEVKQDAX-UHFFFAOYSA-N 302.462 3.310 10 10 DGCE CCN(CC)c1ccc(CN[C@H]2CCC[C@H](CO)C2)cc1F 840977464 IEFPOZPWLDLNRH-HOTGVXAUSA-N 308.441 3.313 10 10 DGCE Cc1cc(O)c(CNCCCNCc2cccnc2)c(Cl)c1 841042098 KWEFKUNQWZOUGH-UHFFFAOYSA-N 319.836 3.019 10 10 DGCE Nc1ccc(CCNC(=O)N2[C@H]3CC[C@H]2c2ccccc23)cc1 841953701 BKHUVKBNHXDUTJ-ROUUACIJSA-N 307.397 3.413 10 10 DGCE C/C(=C\c1cccnc1)C(=O)N1CCCN(C)c2ccccc21 846885043 MMIACPZKLBLLIC-FYWRMAATSA-N 307.397 3.358 10 10 DGCE COc1ccc(N2CC[C@H](NCc3ncc(Cl)s3)C2)cc1 850347114 NQKJIEGOWOMTSC-NSHDSACASA-N 323.849 3.174 10 10 DGCE CC[C@@H]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855224309 FGXXPOGZQCDWGM-IIDMSEBBSA-N 316.445 3.216 10 10 DGCE Cc1ccc(O)c([C@@H](C)N[C@H]2C(=O)N(C)Cc3ccccc32)c1 857875466 PFZNBESSTNEPCR-FZKQIMNGSA-N 310.397 3.065 10 10 DGCE COc1cnccc1[C@@H](C)NCc1cc(F)c(N(C)C)cc1F 858159156 XJDXNFRAPDVEAS-LLVKDONJSA-N 321.371 3.285 10 10 DGCE C[C@]1(F)CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 897870750 YKLIPNIXMHEKDH-HNNXBMFYSA-N 309.362 3.277 10 10 DGCE C[C@H](CC(C)(C)NC/C=C\c1ccc(N(C)C)cc1)C(=O)O 904019191 SARLFLIRTFCECO-LMVHVUTASA-N 304.434 3.245 10 10 DGCE CC[C@@H](CC(F)(F)F)NC(=O)NCc1c(O)cccc1F 921973637 QLSGAPRNOKEJOJ-QMMMGPOBSA-N 308.275 3.062 10 10 DGCE CN(C)c1cc(F)c(CN[C@H](C2CC2)[C@@H]2CCCOC2)cc1F 922896821 PJAKIIGJTPBXGE-FZKQIMNGSA-N 324.415 3.326 10 10 DGCE CC[C@H](NC[C@@H]1CNCCC1(F)F)c1ccc(N(C)C)cc1 925782699 MOZOFVJXCUVAFM-HOCLYGCPSA-N 311.420 3.038 10 10 DGCE Cc1ccc(O)c(CNC(=O)N[C@@H]2CCSC3(CCC3)C2)c1 927282392 XYEHYRMKXWHINB-CQSZACIVSA-N 320.458 3.318 10 10 DGCE CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/Nc1c(C)n[nH]c1C 1084530897 USYCJIVLXIBSNX-OQLLNIDSSA-N 309.373 3.053 10 10 DGCE Cc1nc2c(C(=O)NCc3cccc(Cl)c3O)cccc2o1 1180409846 GOZRGSATQUHDMR-UHFFFAOYSA-N 316.744 3.425 10 10 DGCE CN(Cc1ccn(C)c(=O)c1)c1ccc(-c2nccs2)cc1 1194994630 YVUZKTLZQIHNOZ-UHFFFAOYSA-N 311.410 3.145 10 10 DGCE C[C@H](NC(=O)c1cccc(OC(C)(C)C)n1)c1ccccc1O 1302537953 BFKWHXIMRHIUCV-LBPRGKRZSA-N 314.385 3.456 10 10 DGCE CCc1c[nH]c2ncnc(NCc3cccc(Cl)c3O)c12 1307229952 OGBYTDQLQFQXIB-UHFFFAOYSA-N 302.765 3.491 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)NC[C@]2(C)CC2(C)C)c1 1313225215 PCWNHKNVQVYOEZ-DIFFPNOSSA-N 306.406 3.197 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)C1(CCF)CC1 1353911436 QQKVJODKAXQMNN-UHFFFAOYSA-N 304.409 3.385 10 10 DGCE O=[N+]([O-])c1c(NCc2cccc(Cl)c2O)nc2ccccn12 1472899077 OIUOPIYNLJHCSZ-UHFFFAOYSA-N 318.720 3.214 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2C[C@H]2C2CCCC2)cc1 1520906670 TWCZHMAZKOFAJJ-ZFWWWQNUSA-N 314.389 3.405 10 10 DGCE Cc1ccc2n[nH]cc2c1C(=O)NCc1cccc(Cl)c1O 1558757764 RPMPKISRVMVCOB-UHFFFAOYSA-N 315.760 3.160 10 10 DGCE C[C@H](NC(=O)Cc1cc2ccccc2nc1O)c1ccccc1O 1632250491 VEXWJMORACAAGJ-LBPRGKRZSA-N 322.364 3.066 10 10 DGCE O=C(Nc1cccc(N2CCCC2)c1)c1c(F)ccc(O)c1O 1641173593 IFGCWACAAAWTNS-UHFFFAOYSA-N 316.332 3.089 10 10 DGCE CCCOc1ccnc(NCc2ccc3c(c2)CCCN3C)n1 1650685621 ICWFHZNWPJCLBU-UHFFFAOYSA-N 312.417 3.260 10 10 DGCE Cc1cc(CN2CC[C@@H](C)[C@H](CO)C2)ccc1N1CCCCC1 1659535560 AMLRKDQUJCGBTR-APWZRJJASA-N 316.489 3.436 10 10 DGCE CCNCc1ccc(N(Cc2ccccc2)[C@@H](C)CO)cc1C 1914295540 QPTXXMLGCCPSBS-KRWDZBQOSA-N 312.457 3.492 10 10 DGCE C[C@H](CCO)N(CCCc1ccc(N)cc1)Cc1ccccc1 1915118361 CCEKJWBZDKCNMH-QGZVFWFLSA-N 312.457 3.475 10 10 DGCE C[C@@H](N)c1ccc(N(Cc2ccccc2)C2COC2)c(F)c1 1915680991 VLVAFYGOMPUVLZ-CYBMUJFWSA-N 300.377 3.251 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H]1C[C@H](N)c1ccccc1O 1928469219 FXJLQJTYEVIDNU-OCCSQVGLSA-N 306.406 3.182 10 10 DGCE Oc1c(F)cc(Br)cc1CNCC1CC(F)C1 1944056959 VKXXWPYFYFJOFR-UHFFFAOYSA-N 306.150 3.132 10 10 DGCE C[C@H](N)c1ccc(N2C[C@H](C)[C@@H](F)C2)cc1Br 1947330463 CPQXPWVFSGTQPO-RVBZMBCESA-N 301.203 3.263 10 10 DGCE C[C@]1(c2cc(Br)cc(Br)c2O)CCN1 1952221928 KGJMCXLRBOGNSB-SNVBAGLBSA-N 321.012 3.126 10 10 DGCE C[C@H](Nc1ccccc1N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1959360998 JKBZNICPDOAXLY-QWHCGFSZSA-N 305.422 3.326 10 10 DGCE CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2ccc(N)cc2)C1 1959569952 UOEUFBNFINCQOA-OAHLLOKOSA-N 305.422 3.105 10 10 DGCE CC(C)(C)OC(=O)N1CC2(CCC[C@H]2Nc2ccccc2N)C1 1977664501 MJWOGNSWDABHEX-OAHLLOKOSA-N 317.433 3.470 10 10 DGCE CN(C)c1ccc([C@@H](N)CC2CN(C(=O)OC(C)(C)C)C2)cc1 1977944546 HNAPGBXJVSEGAM-INIZCTEOSA-N 319.449 3.009 10 10 DGCE NCc1ccc(N2CC[C@@H]2C2CCC2)c(F)c1Br 2028300135 LFCIYNIGBBLZDB-LLVKDONJSA-N 313.214 3.426 10 10 DGCE C[C@H](c1cc(Br)ccc1O)N1CC[C@H]2C[C@H]1CO2 2035547762 FBZJWGNTSNBIDF-USWWRNFRSA-N 312.207 3.079 10 10 DGCE O=C(O)C=Cc1ccc(N2CC[C@H]2CF)c(Br)c1 2063237368 LYJWRIHACBIING-JTQLQIEISA-N 314.154 3.095 10 10 DGCE Cc1ccc([C@@H](C2CCC2)n2nc(C3CC3)c(N)c2N)c(O)c1 2079003592 CGEIZXVNGYZZEZ-QGZVFWFLSA-N 312.417 3.328 10 10 DGCE CC1CC(CS(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)C1 2087868301 WCYNQPMSLHXPMF-UHFFFAOYSA-N 324.229 3.487 10 10 DGCE O=S(=O)(Nc1cc(Cl)c(O)c(Cl)c1)[C@H]1CC12CCC2 2097025674 WKGGIAMNWVUWMA-JTQLQIEISA-N 322.213 3.383 10 10 DGCE CP(C)(=O)[C@H]1CCCN1c1cc(Cl)c(CN)cc1F 2120880783 DTYYBTCVHKQKPW-ZDUSSCGKSA-N 304.733 3.487 10 10 DGCE C[C@@H]1CNC(C)(C)CN1Cc1cc(Cl)cc(Cl)c1O 2133663038 MQLUOGXVVUGAMV-SECBINFHSA-N 303.233 3.271 10 10 DGCE C[C@H](O)c1ccc(N2CC3(CSC3)C2)cc1C(F)(F)F 2146375085 IRLANEGHGXJTKL-VIFPVBQESA-N 303.349 3.312 10 10 DGCE C[C@@H](N)c1ccc(N(C)Cc2c(Cl)ncn2C)cc1Cl 2168144631 DKENJWWSONMBOR-SECBINFHSA-N 313.232 3.383 10 10 DGCE NCc1cc(F)c(N2CCCC[C@@H]2CCCO)cc1Cl 2206665658 GQIRUQJMLYJBBV-GFCCVEGCSA-N 300.805 3.069 10 10 DGCE CC(C)(C)C1CC(S(=O)(=O)Nc2ccc(O)c(F)c2)C1 2240475212 HUZYJQFZPWYXTA-UHFFFAOYSA-N 301.383 3.098 10 10 DGCE Cc1cc(Br)cnc1C(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-] 2269656254 HMLZTZOSJKUPCI-UWVGGRQHSA-N 324.182 3.114 10 10 DGCE C[C@H](O)CN(CC(C)(C)C)c1cc(Cl)c(CN)cc1F 2288018090 ALAHEJZQSWWEID-JTQLQIEISA-N 302.821 3.171 10 10 DGCE CN(C[C@H]1CC[C@@H]2C[C@H]12)c1ccc(CN)c(Br)c1 2308630303 MTRMFOBMLGTNKJ-QKCSRTOESA-N 309.251 3.390 10 10 DGCE C[C@@H]1CN(C(=O)C=Cc2cncc(F)c2)c2cccc(F)c2O1 2309904638 YOWCZKLZISCYBC-LLVKDONJSA-N 316.307 3.187 10 10 DGCE CCN(CCN=[N+]=[N-])S(=O)(=O)c1cc(C)c(Cl)s1 2315986303 BURZBGQXNBIBRM-UHFFFAOYSA-N 308.816 3.031 10 10 DGCE Cc1ccccc1C=C1SC(=S)N(C[C@@H]2CCCO2)C1=O 2323744647 VMDCGQOYDXENQV-ZDUSSCGKSA-N 319.451 3.375 10 10 DGCE Nc1ccc(CC(=O)N[C@H](c2ccccc2)c2cccnc2)cc1 178760616 HWRXBJHEQBUTLT-HXUWFJFHSA-N 317.392 3.112 10 10 DGCE C[C@@H](N)c1ccc(N2CCOCC2(C)C)c(Br)c1 61696671 CELTVQROKKJRNV-SNVBAGLBSA-N 313.239 3.084 10 10 DGCE COc1ccc(CNC(=O)c2ccc(CN=[N+]=[N-])o2)cc1OC 1537963070 SDJXQWHBCFCNIS-UHFFFAOYSA-N 316.317 3.037 10 10 DGCE Nc1ccc(CS(=O)(=O)Nc2ccc(F)cc2Cl)cc1 34973217 CWMJAFCOLVNWHU-UHFFFAOYSA-N 314.769 3.003 10 10 DGCE Oc1c(Cl)cccc1CNc1cccc2c1OCC[C@@H]2O 185578530 PGMPBCUYJXBXIL-AWEZNQCLSA-N 305.761 3.474 10 10 DGCE CC[C@H](C)N(CCOC)Cc1cccc(Br)c1O 133354878 QSBBRIHXWYRIKU-NSHDSACASA-N 316.239 3.402 10 10 DGCE C[C@H]1CN(c2ccc([C@@H](C)N)c(Br)c2)CCCO1 235214512 ONDMMRWAZUZRAR-WDEREUQCSA-N 313.239 3.084 10 10 DGCE CC(C)N[C@@](CO)(CSc1nccs1)C1CC2(CC2)C1 2370984379 RECSHSMZPIYHJH-HNNXBMFYSA-N 312.504 3.155 10 10 DGCE C[C@H](CC(F)(F)F)C(=O)N1CCOc2cc(N(C)C)ccc21 457612377 MJMHFHXVXYHNBI-SNVBAGLBSA-N 316.323 3.067 10 10 DGCE CCCCN(Cc1ccccc1O)C[C@H](O)c1ccc(F)cn1 801596595 GYMAUQFSIIVYLI-SFHVURJKSA-N 318.392 3.262 10 10 DGCE CC(C)N(Cc1ccc(N)cc1)C(=O)c1cc(Cl)ns1 2167199903 NIHZEOMNDPJMBH-UHFFFAOYSA-N 309.822 3.430 10 10 DGCE O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@H]1C[C@@H]2C[C@@H]2C1 824850364 ZFIYAHDCXAGWNS-AKZRSSKFSA-N 315.200 3.297 10 10 DGCE C[C@H](CC(=O)NCc1ccc(N2CCCC2)cc1)c1cccnc1 734422790 ZHCBIUJVEOSLMZ-MRXNPFEDSA-N 323.440 3.492 10 10 DGCE CN(C)c1ccc(/C=C/CNCc2c3c(nn2C)CCCC3)cc1 835056565 VTJMFWOBIOASQM-VOTSOKGWSA-N 324.472 3.168 10 10 DGCE CC[C@@H](NC[C@H]1CN(C2CC2)C(=O)O1)c1cccc(Cl)c1O 848574324 RTWRPKBDGUCXDE-SMDDNHRTSA-N 324.808 3.070 10 10 DGCE C[C@H](N[C@@H](C1CC1)[C@H]1CCCCO1)c1cc([N+](=O)[O-])ccc1O 848558893 PMCIJMZQBHBMIT-JECHBYEQSA-N 320.389 3.299 10 10 DGCE C[C@H](N[C@H]1C[C@@H](OC(C)(C)C)C1)c1cc([N+](=O)[O-])ccc1O 842920536 JCZSXNZVJRFTMB-GMXVVIOVSA-N 308.378 3.297 10 10 DGCE CN(C)c1ccc(/C=C\CNC[C@H]2CCN2C(C)(C)C)cc1 850341802 ATBVTELVDHCNJW-HPFMTEOYSA-N 301.478 3.228 10 10 DGCE C[C@@H](N[C@@H]1CCCOC1)c1cc(Br)c(F)cc1O 756554734 JACHUVCVQJAORZ-RKDXNWHRSA-N 318.186 3.123 10 10 DGCE CCCC1(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CCC1 855234126 SQDUBNDRIFORDN-HNNXBMFYSA-N 316.445 3.361 10 10 DGCE CC[C@H](CC(F)F)CN1CCN(c2ccc(OC)cc2)CC1 851713344 BTHHWEBNLRWYBN-CQSZACIVSA-N 312.404 3.499 10 10 DGCE CN(Cc1ccccc1O)C(=O)CCC(=O)c1cccc(F)c1 767711139 GXMGNCIHCFQSLF-UHFFFAOYSA-N 315.344 3.153 10 10 DGCE O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCCC12CC2 868113400 YQFOCWAXOLBSFI-QGZVFWFLSA-N 313.445 3.419 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@H](Nc1ccc(N)cc1)C2 1894518335 MYVDHRQXORINDM-HEHGZKQESA-N 317.433 3.326 10 10 DGCE C/C(=C\c1cccnc1)C(=O)NCc1ccc(N(C)C)c(F)c1 1125469664 XNBSYOFPKKELDS-UKTHLTGXSA-N 313.376 3.006 10 10 DGCE Cc1cc(Br)c(O)c(CN2C[C@H](C)OC[C@H]2C)c1 781896037 GMJHFZOKHPYCSJ-MNOVXSKESA-N 314.223 3.072 10 10 DGCE CCOc1cccc(CNC[C@@]2(O)CCCC(C)(C)C2)c1O 782534417 CPQAOZFCZTUHGA-GOSISDBHSA-N 307.434 3.212 10 10 DGCE C[C@H](NCC[C@@H](C)[S@](C)=O)c1cccc(C(F)(F)F)c1O 798181490 KPLBNRJYKBVIFH-ULQSSITMSA-N 323.380 3.219 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](Nc3ccc(N)cc3)[C@H]1C2 1959358416 BBPVXNSDRAORMB-TUKIKUTGSA-N 303.406 3.079 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCCOCCF)c1 1301473305 ADJJQVTZAVICFR-UHFFFAOYSA-N 318.392 3.118 10 10 DGCE CN(CCCN=[N+]=[N-])[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1962305157 QOVHTIQRLMBJTN-CHWSQXEVSA-N 311.430 3.455 10 10 DGCE CCCOc1ccc(N2CC[C@H](CNC[C@@H]3CCCO3)C2)cc1 76370996 FFLWZWHWUPPCLN-APWZRJJASA-N 318.461 3.070 10 10 DGCE COc1cccc(OC)c1-c1nccn1Cc1ccccc1O 82736971 JSCWBHYAALUUIE-UHFFFAOYSA-N 310.353 3.321 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)Cc1ccccc1Br 703091468 WMDFZBYJMLHHEZ-NSHDSACASA-N 323.194 3.293 10 10 DGCE OCCc1cccc(NCc2c(O)cccc2Br)c1 706831875 RUPKJMHFRRWEPX-UHFFFAOYSA-N 322.202 3.302 10 10 DGCE Cc1cc(CN2CCn3nccc3C2)ccc1N1CCCCC1 1196410741 UCYBXXORBULLIF-UHFFFAOYSA-N 310.445 3.198 10 10 DGCE CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NCc1cccc(O)c1O 1349078506 HPIPAIHKDLOKJI-NOLJZWGESA-N 321.417 3.088 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@]1(C)CC1(F)F 1352615065 KRNHMMCTAGLNKK-MRXNPFEDSA-N 308.372 3.291 10 10 DGCE CCC/C=C/[C@H](O)C(=O)NCc1ccc(N(CC)CC)c(F)c1 1543251359 LMUJXHWIVQEEEU-IJDCCNJMSA-N 322.424 3.005 10 10 DGCE O=C(CCCc1c[nH]c2ccccc12)NCc1ccc(O)cc1O 1557084799 OVVPHRXLZZOQDB-UHFFFAOYSA-N 324.380 3.218 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C 1584094302 FGOJOSHLMIJDNU-YFYRFGBOSA-N 314.473 3.400 10 10 DGCE CN(CC1(Cl)CC1)c1cc(Br)c(CN)cc1F 2216148543 CSYNAPCJAAABJL-UHFFFAOYSA-N 321.621 3.255 10 10 DGCE NC(=O)c1cccc2c1N[C@@H](c1ccc(O)cc1)[C@@H]1CC=C[C@H]21 13636786 OGCQFBRZMKKBNM-VBQJREDUSA-N 306.365 3.318 10 10 DGCE CC1=NN(c2ccccc2)C(=O)/C1=C\c1cccc(C(=O)O)c1 13942316 OURIATDFAPRTKN-WJDWOHSUSA-N 306.321 3.191 10 10 DGCE O=C(NCc1ccc(O)c(O)c1)[C@@H]1C[C@H]1c1ccc(Cl)cc1 159102341 OMLWHLXMJGIFFW-UONOGXRCSA-N 317.772 3.171 10 10 DGCE CCN(CC)CCCN=NNc1ccc(OC)c([N+](=O)[O-])c1 1860490875 ATFYEXKAGJVBGX-UHFFFAOYSA-N 309.370 3.114 10 10 DGCE CCN(CCOC)c1ccc([C@@H](C)NC)c(Br)c1 233454506 PSYPESYVGGCYPI-LLVKDONJSA-N 315.255 3.202 10 10 DGCE C[C@@H]1C[C@@H]([C@H](N)c2ccccc2O)CN(C(=O)OC(C)(C)C)C1 1936969155 XIQAOXHLTNMGSK-IOASZLSFSA-N 320.433 3.285 10 10 DGCE C[C@H]1[C@H](CNCc2ccc(Br)cc2O)C1(F)F 1947969045 GEHUGIBEMYHIEC-XVKPBYJWSA-N 306.150 3.146 10 10 DGCE Nc1ccc(N[C@@H]2CN(Cc3ccccc3)[C@@]3(CCOC3)C2)cc1 1948886634 KVRNTIGPPKCJIK-PMACEKPBSA-N 323.440 3.114 10 10 DGCE CCCN(CCNC(=O)OC(C)(C)C)c1ccc(OC)cc1N 1977968161 OBQFYZMNQRJJSO-UHFFFAOYSA-N 323.437 3.019 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H](CNc2ccc(N)cc2)C12CC2 1978584884 OAEZNKVVSOSFEM-ZDUSSCGKSA-N 317.433 3.470 10 10 DGCE C[C@H](CN(C)c1ccc(CO)cc1Br)C(F)F 2012201041 MZXXEDDYAWLQJX-MRVPVSSYSA-N 308.166 3.279 10 10 DGCE CN1CCc2cc([C@@H](O)C(=O)c3csc(Cl)c3)ccc21 2154426751 XVNXJASILUPNMR-CQSZACIVSA-N 307.802 3.310 10 10 DGCE CN(Cc1cccc(Br)c1O)[C@@H]1CCCOCC1 2028798714 JRXQWBCRXCKRKL-GFCCVEGCSA-N 314.223 3.156 10 10 DGCE C[C@@H]1[C@H](CNCc2cc(Br)cc(F)c2O)C1(F)F 2036008263 ZXFHTZRDUANZND-MUWHJKNJSA-N 324.140 3.285 10 10 DGCE CNCc1ccc(N2C[C@H]3C[C@H]2[C@@H]2C[C@H]32)c(Br)c1 2041540793 NNQXWIGEFAVCSY-BLTAXRJOSA-N 307.235 3.013 10 10 DGCE CCCN(Cc1ccc(N)cc1)C(=O)COCc1ccccc1 404330290 AYZFAECHMIOCJB-UHFFFAOYSA-N 312.413 3.224 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)c2cscc2Br)C1 404796250 HZVQWIVUEBHMIP-SSDOTTSWSA-N 315.196 3.426 10 10 DGCE CCN(c1cc(Br)c(CN)cc1F)C1CCC1 706805454 FJYFOBKNMRAFFA-UHFFFAOYSA-N 301.203 3.426 10 10 DGCE CN[C@@H](c1ccc(N(C)C)cc1)[C@@H](O)c1cc(Cl)cs1 2163132379 BCUIUJKJSKMEMB-GJZGRUSLSA-N 310.850 3.462 10 10 DGCE C[C@H](c1c(O)cccc1F)n1nc(C2CCC2)cc1C(=O)O 2069860631 LQGKZXLDNMDSFP-SECBINFHSA-N 304.321 3.303 10 10 DGCE COc1ccc(O)c([C@@H](C)n2nc(C3CCCC3)cc2CO)c1 2070177994 IPFSKWQYNGCEID-GFCCVEGCSA-N 316.401 3.357 10 10 DGCE C[C@H](NCc1cccc(Br)c1O)c1cncs1 897933992 CKDKZWLSWISQAB-QMMMGPOBSA-N 313.220 3.462 10 10 DGCE Oc1c(F)cc(Br)cc1CN[C@H]1C[C@@]12CC2(F)F 2052007978 AWXFNAHFSUBZGP-GXSJLCMTSA-N 322.124 3.181 10 10 DGCE C[C@H]1CC[C@H](CNCc2cccc(Br)c2O)OC1 2053746427 DBNYBKYWBJLWGL-CMPLNLGQSA-N 314.223 3.059 10 10 DGCE CN(Cc1ccc(Cl)cc1O)CC(F)(F)[C@H]1CCOC1 2185334588 NMYOBZDAJBUWRP-NSHDSACASA-N 305.752 3.149 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CC[C@@H]2COCC[C@H]21 2088705241 BANWTMMMKDZBNY-NOZJJQNGSA-N 302.201 3.310 10 10 DGCE C[C@@H](F)CN1CCN([C@H](C)c2ccc(Cl)cc2O)CC1 2203349762 ZQEFKOCDYIYBNC-VXGBXAGGSA-N 300.805 3.082 10 10 DGCE CSc1ncc(CNC[C@H](O)CC2CCCCC2)s1 2269192020 AKOILHXOMCSBBC-GFCCVEGCSA-N 300.493 3.286 10 10 DGCE CCCN[C@](CSc1nccs1)(CC1(C)CC1)C(=O)O 2207943090 YHSXRLZJFSZYAR-AWEZNQCLSA-N 314.476 3.248 10 10 DGCE CC(C)C=CC(=O)NCc1ccc(N2CCSCC2)cc1 2312257957 AFCYDEDPZVVSOR-UHFFFAOYSA-N 304.459 3.068 10 10 DGCE CCCN1C(=O)C(=Cc2ccccc2[N+](=O)[O-])SC1=S 2323693630 KOLMUSWFEHLZMU-UHFFFAOYSA-N 308.384 3.206 10 10 DGCE CCOC(=O)N1CCN(N=Nc2c(C)cc(C)cc2C)CC1 2330179970 KSHVHDQWBLLSIX-UHFFFAOYSA-N 304.394 3.385 10 10 DGCE Cc1ccc(CN=c2ccn(C(C)C)[nH]2)c(O)c1Br 2352950411 SGUISIQPAYWFSA-UHFFFAOYSA-N 324.222 3.275 10 10 DGCE CCc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1cc(Cl)ccc1O 185682364 SRFNPYJEFYZOGE-MFKMUULPSA-N 320.824 3.385 10 10 DGCE COc1ccc2c(c1)N[C@](C)(C(C)C)CN2C[C@@H](C)C(N)=S 75280962 YDPMYYQNTWGHEM-PXAZEXFGSA-N 321.490 3.264 10 10 DGCE CC(C)OCCN1CCC(N[C@H](C)c2cc(F)ccc2O)CC1 185637743 XBSZUSMRESCPNY-CQSZACIVSA-N 324.440 3.071 10 10 DGCE C[C@@H]1CCC[C@@H](N(C)c2cc3c(cc2Cl)[C@@H](N)C(=O)N3)C1 221195899 YOTUALUBZCKMIT-IQMDTDKHSA-N 307.825 3.307 10 10 DGCE CCOc1ccc(O)c(CN[C@]2(CO)C[C@@H](C)CC(C)(C)C2)c1 236852746 XPTWSRRAFZYNIO-IFXJQAMLSA-N 321.461 3.458 10 10 DGCE CC[C@@H](NCc1cc(Cl)cc(C)c1O)[C@H](O)C(F)(F)F 271789614 GGSSXPIMNILWOS-PWSUYJOCSA-N 311.731 3.145 10 10 DGCE CC[C@H](N[C@@H]1CCC(=O)NC12CCC2)c1cccc(Cl)c1O 286866570 BLZWRRRPOOJURA-UONOGXRCSA-N 322.836 3.288 10 10 DGCE Cc1csc([C@@H](NN)c2ccc3c(c2)CCN3C)c1Cl 2163148743 AOAZKAGHIFZRAC-AWEZNQCLSA-N 307.850 3.255 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCOC[C@@H]1C 801549471 PGPFJLRRRWFLFZ-GOEBONIOSA-N 305.418 3.194 10 10 DGCE Cc1cnc(C)c(-c2ccc(O)c(CNCc3ccco3)c2)n1 299757362 MODDKTVGIIWDLF-UHFFFAOYSA-N 309.369 3.349 10 10 DGCE COc1ccc2c(c1)CCCN2Cc1nn(C)c(C)c1Cl 817409865 GFPZJXGVEWFQLH-UHFFFAOYSA-N 305.809 3.343 10 10 DGCE OCc1ccc(CNCc2ccc3ccccc3c2O)cc1F 816538831 IUVUGJDKTFRNMV-UHFFFAOYSA-N 311.356 3.467 10 10 DGCE C[C@H](N[C@@H]1CNCC[C@@H]1C)c1ccc(N2CCCCC2)cc1 817968063 NXOALRWHXLIBRV-TXPKVOOTSA-N 301.478 3.326 10 10 DGCE Cc1cc(Cl)cc([C@H](C)N[C@H]2CNCCC2(F)F)c1O 817981879 WNAWLRVPZWIJMZ-CABZTGNLSA-N 304.768 3.002 10 10 DGCE Oc1ccccc1CNCC[C@H]1CCN(Cc2ccccc2)C1 723980257 NPCKZEGPURSNOY-SFHVURJKSA-N 310.441 3.394 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCC[C@@](O)(C3CC3)C2)cc1 827151698 IGLJGNMTAUVSHJ-UABKOXTMSA-N 300.446 3.003 10 10 DGCE CCc1ccc(NCc2cc3c(cc2O)OCO3)cc1OC 825110111 BYKUNHXPRVRVNL-UHFFFAOYSA-N 301.342 3.304 10 10 DGCE C[C@H]1CN(C(=O)c2c[nH]cc2-c2cnn(C)c2)c2ccccc21 495018216 MODXEMMBVWJZAT-LBPRGKRZSA-N 306.369 3.179 10 10 DGCE Oc1cccc(Cl)c1CN1C[C@]23CCCC[C@]2(COC3)C1 827850712 QBPHQJJGSBHBSF-CALCHBBNSA-N 307.821 3.438 10 10 DGCE Cc1cc(C)c([C@@H](C)NC[C@@]2(OC(C)C)CCOC2)c(O)c1 903357016 IYYYGAHXJYHJKO-QAPCUYQASA-N 307.434 3.244 10 10 DGCE Cc1ccccc1[C@@H](NC/C=C\c1ccc(N(C)C)cc1)C(=O)O 904033103 QQEKSIHCTBFLPK-MONCILHSSA-N 324.424 3.490 10 10 DGCE CCN(CC)c1ccc(CN2C[C@@H]3CCC[C@H]3[C@H]2C(=O)O)cc1 902009815 ZTYYJHFFPUTNIE-JQHSSLGASA-N 316.445 3.218 10 10 DGCE CN(C/C=C\c1ccc(N(C)C)cc1)CCCN1CCCC1 835050405 ARPUYSPRGDOXJI-VURMDHGXSA-N 301.478 3.184 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@@H]2Cc3cccc(O)c3C2)cc1 835048964 NTOXUEZEQHRXTD-LAQIPUCWSA-N 308.425 3.228 10 10 DGCE CCN1CCC(CNC/C=C/c2ccc(N(C)C)cc2)CC1 835039062 WFYZWIABRWCXCA-AATRIKPKSA-N 301.478 3.087 10 10 DGCE Cc1nc(CCNC/C=C\c2ccc(N(C)C)cc2)cs1 835037323 VBSGZLCLSSDTAA-PLNGDYQASA-N 301.459 3.363 10 10 DGCE CCO[C@@H]1C[C@@H](N[C@@H](C)c2cc(F)cc(F)c2O)[C@@H]1SC 842923909 MBZGPXNCBAKOGJ-QBVOZJPGSA-N 317.401 3.230 10 10 DGCE Oc1ccc(Cl)c(F)c1CN1CCCC[C@H]1[C@H]1CCNC1 841085714 BJIFPAYFKQCFMY-FZMZJTMJSA-N 312.816 3.149 10 10 DGCE Cc1cc(Cl)cc(CN2CCO[C@]3(CCSC3)C2)c1O 843418770 YINNRCKXHJNDPE-OAHLLOKOSA-N 313.850 3.062 10 10 DGCE Nc1ccc(NC(=O)N2CC[C@]3(C2)CC(F)(F)C3(F)F)cc1 926145201 VICDGWQCTMFNOL-GFCCVEGCSA-N 317.286 3.167 10 10 DGCE CC(C)C1CC(NCc2ccc(N3CCOCC3)c(F)c2)C1 752933810 RIAVZBKDERMFGQ-UHFFFAOYSA-N 306.425 3.187 10 10 DGCE CN(Cc1ccccc1O)C[C@@H]1CCC[C@H](C(F)(F)F)O1 929976232 MKYPESAXGKCUEG-GXTWGEPZSA-N 303.324 3.324 10 10 DGCE COc1ccc2c(c1)N(C(=O)/C=C\c1ccc(C)nc1)C[C@H](C)O2 754317056 KGPJNMWSVWPVIT-PIZKADEWSA-N 324.380 3.226 10 10 DGCE CCN(Cc1cc(Br)ccc1O)C(=O)C12CC(C1)C2 1118905623 CGHPQOSKBPHEBH-UHFFFAOYSA-N 324.218 3.303 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(CCCN=[N+]=[N-])C[C@@H]2C1 1898070456 ZMJYNMNZLAUFJU-HZSPNIEDSA-N 323.441 3.312 10 10 DGCE C[C@@H](CCc1ccc(F)cc1)C(=O)NCc1c(O)cccc1O 1156885743 MYYJDQYCYFDTDN-LBPRGKRZSA-N 317.360 3.122 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1Nc1ccccc1N 1959369866 BSUJTVTWODKQIB-TZMCWYRMSA-N 305.422 3.326 10 10 DGCE COc1ccccc1NC(=O)CSCc1ccc(N)cc1 58235883 ZMPJTPWGZNZAIH-UHFFFAOYSA-N 302.399 3.149 10 10 DGCE Cc1cc(N2CCN(Cc3ccccc3)[C@H](C)C2)ccc1CN 396346362 PRWNQLQWKCQZGT-QGZVFWFLSA-N 309.457 3.164 10 10 DGCE CCN1CCN(C(=O)/C(C)=C/c2cccnc2)c2ccccc21 1326767265 BWVYONIIIKUAFI-FYWRMAATSA-N 307.397 3.358 10 10 DGCE COc1cc(CN2CC[C@@]23CCOC3)c(O)c(C(C)(C)C)c1 1333909353 YUYAWZBGBNLKQB-SFHVURJKSA-N 305.418 3.063 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@@H]2CC[C@H]2C)cc1 1331730037 IHAJKSDPJGJLHN-BFUOFWGJSA-N 324.424 3.364 10 10 DGCE CC(C)N(CCc1ccccc1)C(=O)Cc1ccc(O)c(O)c1 1442386589 JJXUEGKOJFSELO-UHFFFAOYSA-N 313.397 3.120 10 10 DGCE CC(C)(C)n1cc(NC(=O)c2ccc(N=NC(N)=O)cc2)cn1 1292447765 YMRBVNXNLLVDKG-UHFFFAOYSA-N 314.349 3.053 10 10 DGCE CCCCN(C)c1ccc(CNCCCOCC)cc1OC 212694143 PINSXEIOOQXSLH-UHFFFAOYSA-N 308.466 3.448 10 10 DGCE Cc1cccc(-n2c(C)cc(C(=O)N3CC(F)(F)C3)c2C)c1 1466784271 DPRXJYNMVXXASU-UHFFFAOYSA-N 304.340 3.494 10 10 DGCE C[C@H](CC(=O)NCc1ccc2cccnc2c1O)c1ccncc1 1638573091 IRCHOKIJURXVPD-CYBMUJFWSA-N 321.380 3.145 10 10 DGCE Cc1ccccc1-n1cc(C(=O)N[C@@H](C)c2ccccc2O)cn1 1648892219 RACOZLHMYZELLP-AWEZNQCLSA-N 321.380 3.377 10 10 DGCE COC(=O)c1cc(OC[C@@H]2CCC(F)(F)C2)ccc1N(C)C 1653036887 HYPHIHUAFDTVEY-LLVKDONJSA-N 313.344 3.353 10 10 DGCE COc1ccc(Br)c(CNC2CCCC2)c1O 1964019777 QHOHYWPLTZFGMA-UHFFFAOYSA-N 300.196 3.196 10 10 DGCE Nc1snnc1-c1nc(-c2ccc(Cl)cc2Cl)no1 2131484141 QLMXQWVNUIYOKI-UHFFFAOYSA-N 314.157 3.144 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@]21[C@@H](N)c1ccccc1O 1937347184 UDSPGFUOBFADFY-XLWVJDPXSA-N 318.417 3.182 10 10 DGCE C[C@H](N)c1ccc(N2CC=CCC23COC3)c(Br)c1 2137009168 AVOTVXHLDYHNSL-NSHDSACASA-N 323.234 3.004 10 10 DGCE C[C@@H]1C[C@]1(N)c1cc(Br)cc(Br)c1O 1951731784 UVMVRUZZAVDJGA-GPXNAGAYSA-N 321.012 3.111 10 10 DGCE Cc1ccc(CNCCC2(NC(=O)OC(C)(C)C)CC2)c(O)c1 1972548801 MMWOYHOFXZPXCF-UHFFFAOYSA-N 320.433 3.238 10 10 DGCE CN[C@H](c1ccccc1O)[C@H]1[C@H](NC(=O)OC(C)(C)C)C1(C)C 1976938769 BGIJOQOCFGLSOI-ZNMIVQPWSA-N 320.433 3.202 10 10 DGCE CN[C@H](CCCNC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1977946824 XXFBZKLCNYBGRN-MRXNPFEDSA-N 321.465 3.318 10 10 DGCE C[C@H]1CN(Cc2ccccc2)CCN1c1ccc2c(c1)CC[C@H]2O 2012705219 MJAHKJSAARZAQO-HRAATJIYSA-N 322.452 3.377 10 10 DGCE Cc1ccc(Br)c([C@@H](NN)c2ccccc2O)c1 2029554682 BPXFIWPPZYVYDM-AWEZNQCLSA-N 307.191 3.016 10 10 DGCE C[C@@H]1CN(Cc2c(O)cccc2Br)[C@H](C)CCO1 2031608012 QUOPFOOPBGFFFU-GHMZBOCLSA-N 314.223 3.154 10 10 DGCE CC[C@H]1CCOC[C@@H]1NCc1c(O)cccc1Br 2035119087 HIPLULVIGWXTPT-GWCFXTLKSA-N 314.223 3.059 10 10 DGCE CCN[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2Cl)C1 704233093 AXVDCUZZBASHLF-SECBINFHSA-N 308.731 3.427 10 10 DGCE COc1ccc(N2CCN(C(=O)C=Cc3ccccc3)CC2)cc1 2053505739 VXHDTDQPJXAFBC-UHFFFAOYSA-N 322.408 3.057 10 10 DGCE CCOC(=O)c1cc(CC)nn1[C@H](C)c1cc(C)ccc1O 2069881822 KZDISXXVZLKSEX-GFCCVEGCSA-N 302.374 3.246 10 10 DGCE CCc1nn([C@H](c2cc(C)c(C)cc2O)C(C)C)c(N)c1C=O 2079951936 AHWDAYFEVOIKPO-KRWDZBQOSA-N 315.417 3.408 10 10 DGCE NCc1cc(F)c(N2CCCC[C@@H]2CF)cc1Br 2051761772 PLDXSIZAAGRCCF-SNVBAGLBSA-N 319.193 3.375 10 10 DGCE C[C@@H]1CC[C@@H](CNCc2c(O)cccc2Br)OC1 2053740287 JOWSYLSTGQUVDO-MNOVXSKESA-N 314.223 3.059 10 10 DGCE Cc1cnc(Br)c(CN2CC[C@H](CN=[N+]=[N-])C2)c1 2085939145 SBDRKHLAGNIZLC-SNVBAGLBSA-N 310.199 3.285 10 10 DGCE CCC[C@](CSc1nccs1)(NC(C)C)C(=O)OCC 2207856824 MZSVNLOVSXSVLJ-CQSZACIVSA-N 316.492 3.335 10 10 DGCE COc1ccc(Br)c(CN[C@@H]2C[C@H]3C=C[C@H]2C3)c1O 2227749994 IBKRRMFJTVUUNR-OUJBWJOFSA-N 324.218 3.218 10 10 DGCE CCOC(=O)[C@@]1(N)CCCC[C@H]1CCSc1nccs1 2288732650 BOUUKMBFZNXMQC-SMDDNHRTSA-N 314.476 3.076 10 10 DGCE CN(C[C@H]1C[C@@H](F)C1)c1ccc(CO)cc1Br 2307366246 AHQUAMJCIIJVKG-PHIMTYICSA-N 302.187 3.126 10 10 DGCE CC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(C)cc2)SC1=S 16904653 MLQBCWNRZYEKOJ-HQQGHWSLSA-N 321.423 3.059 10 10 DGCE CCCN(CC(F)(F)F)c1ccc(CNCCOC)cc1 62737928 NEZGKMQEUUUPRF-UHFFFAOYSA-N 304.356 3.201 10 10 DGCE CCCCCNC[C@H]1CCN(c2ccc(OC)cc2OC)C1 76375853 RPZFXPFXDGRGLW-OAHLLOKOSA-N 306.450 3.310 10 10 DGCE CC(C)Oc1cccc(/C=C/C(=O)NCCc2ccc(N)cc2)c1 152563045 BLNCKMDVAGODIE-DHZHZOJOSA-N 324.424 3.428 10 10 DGCE C[C@@H](c1ccccc1O)N(C)C(=O)c1cc(N)cc(Cl)c1 165682157 SWSZMWWDKHOCQE-JTQLQIEISA-N 304.777 3.461 10 10 DGCE CCc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1ccc(N(C)C)cc1 167772439 CTVDATPNZADUOP-XJKSGUPXSA-N 313.449 3.092 10 10 DGCE Oc1c(Cl)cccc1CN1CCCN(c2ccccn2)CC1 184805214 BNKVQYWRKAAAJY-UHFFFAOYSA-N 317.820 3.153 10 10 DGCE C[C@@H](N[C@H](Cc1ccccc1)CN(C)C)c1ccc(F)cc1O 185091575 MKDPNEWOXUGGIG-RHSMWYFYSA-N 316.420 3.355 10 10 DGCE C[C@H](NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1O 223661888 BWPHXUJIGOQNKA-KBPBESRZSA-N 320.433 3.300 10 10 DGCE C[C@@H]1C[C@@H]1CN(C)c1ccc(CN)c(Br)c1F 231840092 XFOICRMBUJYOTK-PSASIEDQSA-N 301.203 3.139 10 10 DGCE CNCc1ccc(N2CCN(Cc3ccccc3)C[C@H]2C)cc1 382793303 RDVNJXBYKCIGNP-QGZVFWFLSA-N 309.457 3.117 10 10 DGCE C[C@@H](CN(C)Cc1ccccc1)NCc1ccc2c(c1)CCN2C 383360297 SMLLKWCMVYINOX-KRWDZBQOSA-N 323.484 3.289 10 10 DGCE CCN(CC(F)F)c1ccc(CNCCOC)c(Cl)c1 386999739 FDFXPKCBMFTMIU-UHFFFAOYSA-N 306.784 3.167 10 10 DGCE CCCN[C@@H](C)c1ccc(N(C)CC[S@](C)=O)cc1Cl 399048073 WVBYJKMHTDLDTL-YUNKPMOVSA-N 316.898 3.215 10 10 DGCE Cc1cnc([C@H](C)NCc2ccc(Br)cc2O)o1 700992972 KVAGRSLZBOSONR-VIFPVBQESA-N 311.179 3.302 10 10 DGCE COC(=O)c1cc(F)ccc1COc1ccc(N(C)C)cc1 757705826 YUXHVFDXALLEQT-UHFFFAOYSA-N 303.333 3.257 10 10 DGCE CCOc1ccc(CN2CCC(OCC(C)C)CC2)c(O)c1 768937885 FJFTUOBTQYHZKP-UHFFFAOYSA-N 307.434 3.428 10 10 DGCE C[C@@H](NCc1ccn(C)n1)c1ccc(N2CCCCC2)c(F)c1 773128170 BGBNFLNUVYTRDJ-CQSZACIVSA-N 316.424 3.400 10 10 DGCE COC(=O)[C@H]1C[C@H](C2CCCCC2)CN1Cc1ccccc1O 779034576 YOGUSDQNJYHDSE-DLBZAZTESA-N 317.429 3.336 10 10 DGCE CN(C)c1ccc(CNC(=O)c2cc3[nH]ccc3s2)cc1F 793281536 RUAOFIJBIKQZOH-UHFFFAOYSA-N 317.389 3.365 10 10 DGCE Cc1cc(NCc2cc(Br)ccc2O)nc(C)n1 804828253 LTTGFOYQMAEKBP-UHFFFAOYSA-N 308.179 3.174 10 10 DGCE CN(C)c1ccc(OCC(=O)N[C@H]2CCCc3ccccc32)cc1 810001750 KVUPARNYUOTOQY-IBGZPJMESA-N 324.424 3.325 10 10 DGCE CN(C)c1ccc(/C=C\CNCc2ccc3c(c2)OCCO3)cc1 835034270 RWEHDGSFOFPUNO-ARJAWSKDSA-N 324.424 3.327 10 10 DGCE Cc1nccn1C[C@H](C)CNC/C=C/c1ccc(N(C)C)cc1 835035523 IVWCBYFTQRORQC-SQRWCISFSA-N 312.461 3.197 10 10 DGCE Cc1ccc2c(c1)C(=O)N[C@@H](c1ccc3c(c1)CCCN3C)N2 843274007 VEVSDWFLZVQIPQ-SFHVURJKSA-N 307.397 3.232 10 10 DGCE COC[C@H](CCN[C@H](C)c1cc(Cl)c(Cl)cc1O)OC 850485376 GOWMLXSDYWSEOU-ZJUUUORDSA-N 322.232 3.401 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCn3cncc32)cc1 857989830 PVOVPQYCIDYFCC-KRWDZBQOSA-N 320.396 3.165 10 10 DGCE CCOC(=O)C1=CC[C@@H](N[C@H](CC)c2ccc(F)cc2O)C1 858505871 BPMVFRQYMVBVLR-UKRRQHHQSA-N 307.365 3.224 10 10 DGCE CC1(C)CNCC[C@@H](NCc2cc(Cl)cc(F)c2O)C1 872252090 OWQVUZCCGPFDHS-GFCCVEGCSA-N 300.805 3.053 10 10 DGCE CCc1cccc(CNC[C@@H]2CC[C@]3(CO[C@@H](C)[C@@H]3C)O2)c1O 895823271 ZAVIUZGRQWCSMA-AGGDQXJMSA-N 319.445 3.017 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)c2cccnc2C(F)F)c1 896165948 ZTBXPHZZKOQDEU-VIFPVBQESA-N 322.311 3.224 10 10 DGCE COC1(OC)CC[C@H]1NCc1ccc(N2CCC(C)CC2)cc1 925009174 ARLXDZSCJQWSHG-GOSISDBHSA-N 318.461 3.164 10 10 DGCE Cc1cc(Cl)cc([C@@H](C)NCCOC2CCOCC2)c1O 927077041 QTVIUKIENCCSRR-GFCCVEGCSA-N 313.825 3.200 10 10 DGCE CC[C@@H]1CCc2nc(NC(=O)c3cccc(O)c3O)sc2C1 1136323610 HYTWAAPVLWRESS-SECBINFHSA-N 318.398 3.322 10 10 DGCE COC(=O)COc1ccc(N(C)Cc2cc(C)ccc2C)cc1 1169187190 CXORSPVCJJIGLG-UHFFFAOYSA-N 313.397 3.492 10 10 DGCE CSCc1cc(C(=O)NCc2ccc(O)cc2O)ccc1F 1451770112 PBUWLHUNOVATIA-UHFFFAOYSA-N 321.373 3.030 10 10 DGCE CCCN(C(=O)/C=C/c1cnc(OC)nc1)c1ccccc1F 1532603957 NVQIUDOFAFNDCZ-CMDGGOBGSA-N 315.348 3.081 10 10 DGCE Cc1cc(COC(=O)c2ccc(-n3c(C)ccc3C)cc2)nn1C 1534502195 HKLIOBFGQIHQAH-UHFFFAOYSA-N 323.396 3.493 10 10 DGCE Cc1ccnc(NC(=O)c2cc3cc(O)c(O)cc3s2)c1 1596038785 IOJVTTRTYJJWHQ-UHFFFAOYSA-N 300.339 3.268 10 10 DGCE c1csc(SCCCNCc2ccc3c[nH]nc3c2)n1 1620809778 OUOQKAIESTZDCP-UHFFFAOYSA-N 304.444 3.291 10 10 DGCE Cc1ccc(-c2nnco2)cc1NC(=O)c1cc(O)cs1 1625833683 SSTSEWMTMRNLAB-UHFFFAOYSA-N 301.327 3.064 10 10 DGCE CC1(C)CCCc2sc(NC(=O)c3cccc(O)c3O)nc21 1629153081 PWPNJAZYLYJZSC-UHFFFAOYSA-N 318.398 3.421 10 10 DGCE C[C@@H](NC(=O)C(=O)c1ccc(Cl)s1)c1ccccc1O 1635794127 XGCIRVQLKJITKW-MRVPVSSYSA-N 309.774 3.167 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2ccncc2c1 1638348641 WIBJKLIINRLEKG-GFCCVEGCSA-N 322.364 3.007 10 10 DGCE Oc1cccc(F)c1CN[C@@H]1CCCN(Cc2ccccc2)C1 1660046900 AZJBYWFQORFDAJ-MRXNPFEDSA-N 314.404 3.286 10 10 DGCE COCCN(CCOC)/N=N/c1cccc(C(F)(F)F)c1 1860481591 JPZZPBPVYYTCBX-ISLYRVAYSA-N 305.300 3.299 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN(C(=O)c2ccc(Br)cn2)C1 1912164937 ZHCDYISMZHWBMG-VIFPVBQESA-N 324.182 3.007 10 10 DGCE C[C@@H](NCc1csnc1Br)c1ccccc1O 1925353865 ASASZBCHFLQDPJ-MRVPVSSYSA-N 313.220 3.462 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@](C)([C@H](N)c2ccccc2O)C1 1936970145 JCAUGFKDLIUWDG-QAPCUYQASA-N 320.433 3.429 10 10 DGCE CNCc1ccc(N2CC(OCc3ccccc3)C2)cc1Cl 1958965716 PNLZGFRFJGVLAT-UHFFFAOYSA-N 316.832 3.465 10 10 DGCE CCn1ncc(Br)c1CN(C)Cc1ccccc1O 1966159715 UTIBLRNKINJFMF-UHFFFAOYSA-N 324.222 3.003 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(N)cc2)[C@H]2CC[C@H]21 1983874007 LBZMMRHQOQZMPP-OWCLPIDISA-N 317.433 3.469 10 10 DGCE CCN[C@@H](c1ncc(Br)s1)c1ccccc1O 2000377002 RUAZODJTWWKYOA-LLVKDONJSA-N 313.220 3.310 10 10 DGCE C[C@H](F)[C@@H]1CCCN1Cc1ccc(Br)cc1O 2010592311 VRWYCKMMLZAZKZ-CABZTGNLSA-N 302.187 3.477 10 10 DGCE CCNCc1ccc(N2CC=C(Br)CC2)c(F)c1 2031536470 BHOPGIBTOMJPJX-UHFFFAOYSA-N 313.214 3.424 10 10 DGCE CN(C[C@@H]1[C@H]2CCC[C@H]21)c1ccc(CO)cc1Br 2032795814 UHAUPJIBVSMUOW-ITGUQSILSA-N 310.235 3.424 10 10 DGCE CO[C@H]1CC[C@@H](CNCc2c(O)cccc2Br)C1 2054474899 NCPDHJIRJKKRSV-MNOVXSKESA-N 314.223 3.059 10 10 DGCE CC(C)(C)OC(=O)c1cnn(Cc2cc(Cl)ccc2O)c1 2069986621 XNBBUKQRXJUAAA-UHFFFAOYSA-N 308.765 3.246 10 10 DGCE COc1ccc([C@H](C)n2nc(C3CC3)cc2CN(C)C)c(O)c1 2070134866 PLGOGLNXXFLFDQ-LBPRGKRZSA-N 315.417 3.146 10 10 DGCE Cc1ccc([C@@H](C2CC2)n2nc(C(C)(C)C)c(N)c2N)c(O)c1 2079035475 FJUPDFDYHPKJCD-OAHLLOKOSA-N 314.433 3.358 10 10 DGCE CN[C@@H](c1ccccc1O)c1ccc(Br)cc1OC 2090039904 LBQWHHYRKSOSNQ-HNNXBMFYSA-N 322.202 3.472 10 10 DGCE CCN(CC)c1ccc([C@@]2(N)CCCC3(C2)OCCO3)cc1 2106851865 YWKPYSUJRLLIKS-QGZVFWFLSA-N 304.434 3.004 10 10 DGCE C[C@H]1CN(c2ccc(OC(F)(F)F)c(Cl)c2)C[C@@H]1CN 2169434180 LBNUBFGTRTVNQP-IUCAKERBSA-N 308.731 3.270 10 10 DGCE CC(C)(C)OC(=O)N1[C@H]([C@@H](N)c2ccccc2O)CCC12CC2 2210286941 UQUGHVDHEYPWHN-ZFWWWQNUSA-N 318.417 3.324 10 10 DGCE COc1ccc(N(Cc2ccccc2)C2CNC2)c2c1CCC2 2243772575 CHDAJPFTURFLOV-UHFFFAOYSA-N 308.425 3.162 10 10 DGCE OCc1ccc(N2C[C@@H]3C[C@@H](C(F)(F)F)[C@@H]3C2)c(Cl)c1 2281133947 SDLKVHKHGFCRRL-HBNTYKKESA-N 305.727 3.467 10 10 DGCE CCCCNC(=O)NCc1ccc(C)c(Br)c1O 2327630032 HOVZRFNWSAGTNK-UHFFFAOYSA-N 315.211 3.062 10 10 DGCE Cc1ccc(CN2CC3(CC(F)C3)C2)c(O)c1Br 2327804751 UTGRMAPPYKDMOV-UHFFFAOYSA-N 314.198 3.397 10 10 DGCE Cc1ccc(CN=c2[nH]n(C(C)C)cc2Br)c(O)c1 2341199363 VAOQIWBWFMTRTM-UHFFFAOYSA-N 324.222 3.275 10 10 DGCE CCN(c1ccc([C@H](C)N)cc1Br)[C@H](C)COC 109570538 PWWLGKKNNUUBHR-MNOVXSKESA-N 315.255 3.330 10 10 DGCE CCC(CC)c1cc(C(=O)NCc2cccc(OC)c2O)on1 175929060 RVEBKOCANJYLAL-UHFFFAOYSA-N 318.373 3.222 10 10 DGCE CCCNCc1cc(F)c(N(CC)[C@H](C)COC)c(F)c1 62713724 RGQCPSZXEVKAGL-GFCCVEGCSA-N 300.393 3.326 10 10 DGCE COc1ccc(O)c(CNC(=O)CSc2ccccc2C)c1 114541816 HHGBPAIUCAUWHD-UHFFFAOYSA-N 317.410 3.118 10 10 DGCE CCCN(CCC)c1ccc(CNCCc2cnn(C)c2)cc1 121238367 SRZLMQRDVDSJPS-UHFFFAOYSA-N 314.477 3.379 10 10 DGCE Nc1[nH]ncc1-c1nc(-c2ccccc2OC(F)F)cs1 71382769 FFLWLRXEQBRVSL-UHFFFAOYSA-N 308.313 3.384 10 10 DGCE C[C@H](N[C@@H]1CCCn2ncnc21)c1cc2c(cc1O)CCCC2 185662997 TVAMKFBXOPUEOC-BLLLJJGKSA-N 312.417 3.048 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H]1CNCc1cccc(F)c1O 226609903 OUYDOQKYWJSZER-CYBMUJFWSA-N 324.396 3.020 10 10 DGCE CC(C)C[C@@H](CN[C@@H](C)c1ccc(F)c(F)c1O)N(C)C 191197189 MZYGBLAHOHEFHJ-RYUDHWBXSA-N 300.393 3.297 10 10 DGCE C[C@@H](O)[C@@H](N)c1cc(Cl)c(OCc2ccccc2)cc1O 95781393 WEKYIPHQNLFCDB-QLJPJBMISA-N 307.777 3.005 10 10 DGCE C[C@@H]1C[C@@H](C)N(c2cc(Br)c(CN)cc2F)C1 383940740 HAOPASCPFPWULK-RKDXNWHRSA-N 301.203 3.282 10 10 DGCE COc1ccc(CN2CCC[C@H]2C[C@@H](O)c2ccco2)c(O)c1 247305797 ZYOKCDPASXAVGN-WMLDXEAASA-N 317.385 3.082 10 10 DGCE CN(C)c1ccc(CN[C@@H]2CCCCCC[C@H]2C(=O)O)cc1 277315537 NPNWPJANMFTZJD-IAGOWNOFSA-N 304.434 3.266 10 10 DGCE Cc1cc(CN2CC[C@@H](C(C)(C)C)[C@@H](O)C2)ccc1N(C)C 815083900 IIGPWNXWMAFHNR-AEFFLSMTSA-N 304.478 3.290 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCOc3ccc(O)cc3C2)cc1 827655657 ADHSAJWAVSCYHB-ONEGZZNKSA-N 324.424 3.366 10 10 DGCE CN(C)c1ccc(CN2C[C@]34CCCC[C@]3(COC4)C2)cc1F 827850328 NPWLOBYFXGAHCI-KDURUIRLSA-N 318.436 3.284 10 10 DGCE CC(C)[C@H](NCc1ccc(N(C)C)cc1)C1(CO)CC=CC1 830517981 MNMARANGKMLFJZ-SFHVURJKSA-N 302.462 3.196 10 10 DGCE CN(C)c1ccc(/C=C\CN2CC[C@H](O)CC(C)(C)C2)cc1 835054664 LZCBAWLLDHLVDS-XFHJGTJQSA-N 302.462 3.249 10 10 DGCE CN(C)c1ccc(/C=C\CN2CC(C)(C)[C@@H]3COC[C@@H]32)cc1 835054326 KCNXQAMVDBVMRD-WIJVFFIESA-N 300.446 3.123 10 10 DGCE C/C(=C\c1ccncc1)C(=O)NCc1c(O)ccc2c1CCCC2 847591097 PFMWJQQPQIOKKW-WYMLVPIESA-N 322.408 3.386 10 10 DGCE COC(=O)[C@@H]1C[C@H]2CC[C@H]1N(Cc1c(O)cc(C)cc1Cl)C2 840953283 OALWUQCYIXKJSB-LALPHHSUSA-N 323.820 3.128 10 10 DGCE COc1cc(N(C)Cc2c(F)cncc2F)cc(OC)c1OC 929707392 LOMMHWGZVRMHEX-UHFFFAOYSA-N 324.327 3.022 10 10 DGCE C[C@@H](NC[C@@H]1Cc2ccccc2CO1)c1cc(F)cc(F)c1O 858453939 QXVATFBFFCOZAG-ABAIWWIYSA-N 319.351 3.463 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCC[C@H](C)C3)C2)cc1 855230687 HXMLKHUMAJLPFP-JYJNAYRXSA-N 316.445 3.216 10 10 DGCE CCCC[C@](C)(CO)NCc1c(O)cccc1Br 858182559 YNTFWGLWTFIBGV-CQSZACIVSA-N 316.239 3.186 10 10 DGCE Cc1ccc([C@@H](C)N[C@H]2C(=O)N(C)Cc3ccccc32)c(O)c1C 857875140 HFURNZDIKRYGBT-RDTXWAMCSA-N 324.424 3.373 10 10 DGCE COC(=O)/C=C/c1ccc(N2CC[C@H](C3CC3)C2)c([N+](=O)[O-])c1 764186557 HQOOGWKOKNHMSN-RRFAQUSLSA-N 316.357 3.017 10 10 DGCE O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C1=CCC1 779851046 PHNYWNVZGAEUFF-UHFFFAOYSA-N 303.317 3.121 10 10 DGCE OC[C@H]1CC[C@@](F)(CNCc2cc(Cl)ccc2O)CC1 1875983510 ZBUMYEBXMVORPT-FUKZOUPISA-N 301.789 3.026 10 10 DGCE O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCCOCC1 784940539 ZHROWCDFGMXOIE-QGZVFWFLSA-N 316.445 3.110 10 10 DGCE CCOc1ccc(CNC[C@]2(O)CCCC(C)(C)C2)c(O)c1 782535220 LTHUANNFUGRCIK-SFHVURJKSA-N 307.434 3.212 10 10 DGCE C=C/C(C)=C\CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 788629820 FNACVZSEUDNJRD-BNCCVWRVSA-N 314.429 3.004 10 10 DGCE CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/Nc1c(C)nn(C)c1C 1084397744 OPVXVZHSHGHJMB-MHWRWJLKSA-N 323.400 3.064 10 10 DGCE CC[C@@H](CN(CC)c1ccc(N)cc1)NC(=O)OC(C)(C)C 1961902186 DGXNQIGUBDQDPP-AWEZNQCLSA-N 307.438 3.398 10 10 DGCE Cc1cnc(Cl)cc1C(=O)NCc1cc(Cl)ccc1O 1165508862 XDUPRTZHIOKQKB-UHFFFAOYSA-N 311.168 3.332 10 10 DGCE O=C(NCc1c(O)cccc1F)c1snc(Cl)c1Cl 1178413280 PSSIJPRZOUOYEN-UHFFFAOYSA-N 321.160 3.225 10 10 DGCE C[C@@H](NCc1ccc(Br)cc1O)c1cccnc1 691445359 PPXONXZTIZBHMK-SNVBAGLBSA-N 307.191 3.401 10 10 DGCE Cc1nc(C)c([C@H](C)NCc2c(O)cccc2Br)[nH]1 1893352774 JUSLIWGONNJLAR-QMMMGPOBSA-N 324.222 3.345 10 10 DGCE C[C@H](O)c1ccc(N(C)CC2CSC2)c(Br)c1 718409278 BHYIVPLGXDSMDP-VIFPVBQESA-N 316.264 3.302 10 10 DGCE COc1ccc2c(c1)C[C@H](CN(C)c1ccc(OC)c(F)c1)O2 1459719664 WHCXYBIBPANGLJ-OAHLLOKOSA-N 317.360 3.283 10 10 DGCE O=C(NCc1c(O)cccc1F)c1[nH]ccc1-c1ccccc1 1456030982 URCBZCNNYKNUGO-UHFFFAOYSA-N 310.328 3.456 10 10 DGCE CN(C)c1ccc(-c2nc(C(F)(F)F)c(CO)s2)cc1 1614841379 FDSAORBECIZOSM-UHFFFAOYSA-N 302.321 3.387 10 10 DGCE C/C=C(/C)C(=O)N[C@H](C)CCCNCc1ccc(OC)c(C)c1 1700652451 HINIWKDTDUAHMH-SZCQRLSZSA-N 318.461 3.344 10 10 DGCE CCC(=O)N(C)CC[C@@H](NCc1ccc(OC)c(C)c1)C(C)C 1485428438 ZWVOVWQTOVVWRR-QGZVFWFLSA-N 320.477 3.376 10 10 DGCE FC(F)Oc1ccc2c(c1)CCCN2C[C@@H]1C[C@@]12CCOC2 1559605502 UJKBZWHBUXVBNO-SUMWQHHRSA-N 309.356 3.467 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)C12CCCN(CCC1)C2 1635969470 QXEABXUJQISWQQ-UHFFFAOYSA-N 324.424 3.038 10 10 DGCE CC[C@@H]1CCCC[C@@H]1CNC(=O)NCc1ccc(OC)cc1O 1564846716 BHHXFNTXHQRCNL-ZIAGYGMSSA-N 320.433 3.416 10 10 DGCE CCOC(=O)CN(CCCC1CCC1)Cc1ccccc1O 1643519444 STFKCROIXYNTPD-UHFFFAOYSA-N 305.418 3.338 10 10 DGCE O=C(NCC[C@@H]1CC[C@@H]2C[C@@H]12)NCc1cccc(Cl)c1O 1676091127 BLHOXLSBWJFEPM-LOWVWBTDSA-N 308.809 3.281 10 10 DGCE O=C(O)[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2O)CC1 1964728480 QHPAXHUPMTUOBY-SECBINFHSA-N 318.200 3.386 10 10 DGCE COc1ccc(N2CCN(CCC(=O)c3ccccc3)CC2)cc1 13861713 RRQAUDQQWYBVBO-UHFFFAOYSA-N 324.424 3.090 10 10 DGCE COc1cc(CN(C)CCc2ccccc2OC)c(O)cc1C 160152075 SDCOCAWMKSGWQF-UHFFFAOYSA-N 315.413 3.392 10 10 DGCE CC/C=C\CCN1CCN(c2ccc(OC)cc2OC)CC1 1208734121 NTXWATNZIBYUFU-WAYWQWQTSA-N 304.434 3.182 10 10 DGCE Cc1cccc2nc(C(=O)O)c(/N=N\c3ccc(C(=O)O)cc3)n12 1857801396 HFWVIZQVXCWHTK-HNENSFHCSA-N 324.296 3.455 10 10 DGCE Oc1c(Br)cccc1CN[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]12 1917459828 STXFJXPGWGOLOX-DKKFBCOVSA-N 308.219 3.289 10 10 DGCE CC[C@@](C)(NC(=O)OC(C)(C)C)[C@H](NC)c1ccccc1O 1928465190 MTYMTKXBYBWSSN-RHSMWYFYSA-N 308.422 3.346 10 10 DGCE CN[C@H](c1ccccc1O)[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C 1928466912 GIQUOFKXFFKOKA-JMSVASOKSA-N 308.422 3.202 10 10 DGCE Nc1ccc(CCN2CCCSC[C@H]2C(F)(F)F)cc1 2143626609 UWYVPULHYYAIPR-ZDUSSCGKSA-N 304.381 3.181 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H](Nc2ccccc2N)[C@H]2CCC[C@@H]21 1977662771 OHZJAQMNHLKBTG-KCXAZCMYSA-N 317.433 3.469 10 10 DGCE C[C@@H]1CN(Cc2ccc(N)cc2)CC[C@H]1NC(=O)OC(C)(C)C 1977924577 CMOQQNLCNHZRJK-CZUORRHYSA-N 319.449 3.004 10 10 DGCE Oc1cc(Cl)ccc1CN1CCOC[C@H]1CC(F)(F)F 2150466657 OICQMJRLHNSLTC-LLVKDONJSA-N 309.715 3.199 10 10 DGCE O=S(=O)(Nc1ccc(O)c(Cl)c1)c1ccc(Cl)o1 2035288315 UBLSUKIWSBPIHA-UHFFFAOYSA-N 308.142 3.093 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)C=Cc1nccs1 2041448608 FEPHBIKLPLWVEP-UHFFFAOYSA-N 315.442 3.271 10 10 DGCE C[C@@H](N)c1ccc(N(C)[C@H](CCO)C(F)(F)F)c(Cl)c1 2178513252 RIHDEALXCQSVIZ-PRHODGIISA-N 310.747 3.109 10 10 DGCE CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1cccc(O)c1 2085610050 UGUOUFTYFYPOOR-UHFFFAOYSA-N 307.353 3.419 10 10 DGCE CN(C)c1ccc(CNC(C(F)(F)F)C(F)(F)F)cc1 2183982692 PJOLGTOZYNALHA-UHFFFAOYSA-N 300.246 3.335 10 10 DGCE C[C@@H](N)c1ccc(N(C)Cc2cocn2)c(Br)c1 2042269383 AGTBQEQECBBTSF-SECBINFHSA-N 310.195 3.093 10 10 DGCE Oc1ccc(Br)cc1CN[C@@H]1[C@H]2CCC(F)(F)[C@@H]21 2051229004 GFSDTSFBDNRIAP-ZMLRMANQSA-N 318.161 3.288 10 10 DGCE C[C@H](O)c1cc(F)c(N2CCSCC(F)(F)C2)c(F)c1 2194515147 YSGCURJMLHNOTG-QMMMGPOBSA-N 309.328 3.207 10 10 DGCE CN(CC[C@@H]1CCOC1)Cc1c(O)cccc1Br 2075517168 ZZXCIKWSHMKFSX-LLVKDONJSA-N 314.223 3.013 10 10 DGCE Cc1cc(N(C)CC2(Br)CC2)ccc1C[C@H](C)N 2076235898 CHNSIMWOESVBDG-LBPRGKRZSA-N 311.267 3.248 10 10 DGCE Cc1oc(Br)cc1[C@H](N)c1ccc2c(c1)CCN2C 2106855236 LYAUNXGGZFWCPD-OAHLLOKOSA-N 321.218 3.391 10 10 DGCE COc1ccc(N2CCC(Cl)=C(Cl)C2)c(C[C@@H](C)N)c1 2235966437 SPIRVFRPWHCCBR-SNVBAGLBSA-N 315.244 3.484 10 10 DGCE CSc1ncc(CNC(C(F)(F)F)C(F)(F)F)s1 2257097661 SAIICPXJWAPEDL-UHFFFAOYSA-N 310.288 3.448 10 10 DGCE CC1=NN(c2ccccc2)C(=O)C1=Cc1ccccc1C(=O)O 2313521387 KNQJCGZWUVXKBW-UHFFFAOYSA-N 306.321 3.191 10 10 DGCE Cc1ccc(CN(CCO)C(C)(C)C)c(O)c1Br 2327622282 WMZWEYGCJAYMIY-UHFFFAOYSA-N 316.239 3.056 10 10 DGCE CC[C@H](C(C)=O)N(C)Cc1ccc(C)c(Br)c1O 2327613967 ZEIMILIECPRBQP-GFCCVEGCSA-N 314.223 3.263 10 10 DGCE Cc1cc(C(=O)CNCc2cccnc2)c(C)n1-c1ccccc1 62657287 KISJGXXJJGHEBR-UHFFFAOYSA-N 319.408 3.462 10 10 DGCE O=c1[nH]ncc(NCc2ccc(N3CCCCC3)cc2)c1Cl 65201378 RDSGCWGALHETPA-UHFFFAOYSA-N 318.808 3.026 10 10 DGCE COc1ccc(O)c(CNC(=O)NC2CCC(C)(C)CC2)c1 74261796 NDNCGPKNUOYJDF-UHFFFAOYSA-N 306.406 3.169 10 10 DGCE CN1N=C(C(F)(F)F)/C(=C\Nc2ccc(Cl)cc2)C1=O 100271385 APFZBXFGUIOMER-RMKNXTFCSA-N 303.671 3.026 10 10 DGCE COC[C@@H](OC(=O)c1cc(C)n(-c2ccccn2)c1C)C1CC1 131760704 MXOHZBKJIMHRAE-MRXNPFEDSA-N 314.385 3.071 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2C(=O)CSC(C)(C)C 173188555 ZFZVQANJKYKTBI-UHFFFAOYSA-N 308.447 3.010 10 10 DGCE O=C(N[C@@H](c1ccccc1)c1ccncc1)c1cccc(O)c1O 187024023 DMQAZNHFOPYAMC-KRWDZBQOSA-N 320.348 3.012 10 10 DGCE C[C@H]1CN(Cc2ccc(N)cc2)C[C@H](C)N1C(=O)OC(C)(C)C 208529526 YZHLBOUGUWVGJW-KBPBESRZSA-N 319.449 3.099 10 10 DGCE C[C@H](CCN[C@H](C)c1cc(O)ccc1O)NC(=O)OC(C)(C)C 227670868 MCRMEFHXKAOSLT-VXGBXAGGSA-N 324.421 3.052 10 10 DGCE CC[C@@H](NCCNC(=O)c1ccccc1)c1ccc(C)cc1O 279999598 FVGOGULCDLFEEZ-QGZVFWFLSA-N 312.413 3.171 10 10 DGCE CCOc1cccc(CN[C@@H]2COc3ccc(F)cc3C2)c1O 288501036 ICMKJYHVAPTNBC-HNNXBMFYSA-N 317.360 3.023 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@H]3C[C@H]2CN3Cc2ccccc2)cc1 309672690 KJEGVDLQZGANEI-YSGRDPCXSA-N 307.441 3.169 10 10 DGCE CN(C)c1ccc(CN(C(=O)[C@H]2CCCOCC2)C2CC2)cc1 365826549 AFGUKZMRVZTJAI-INIZCTEOSA-N 316.445 3.060 10 10 DGCE CN[C@@H](C)c1ccc(N(C)CCOCc2ccccc2)cc1O 384117236 LTQVYLUZZORIML-HNNXBMFYSA-N 314.429 3.326 10 10 DGCE CC[C@H](NCCOC(F)F)c1cc(Br)ccc1O 398270575 UIQJBBDJPYRXIG-JTQLQIEISA-N 324.165 3.435 10 10 DGCE CC[C@@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2O)[C@@H](C)CO1 403825904 MMHOTISPYQMPAT-IINYFYTJSA-N 311.809 3.248 10 10 DGCE C[C@@H]1CCC[C@@H](CNCc2cc(Br)ccc2O)O1 688864624 HDFZQCCPRPKNRN-MFKMUULPSA-N 314.223 3.202 10 10 DGCE CC[C@H](N[C@@H]1C[C@@]1(C)OC)c1cc(Br)ccc1O 694484562 LKLKOIQSYQXDAP-IACUBPJLSA-N 314.223 3.373 10 10 DGCE COc1ccc(N2CCN(c3ncc(Cl)s3)CC2)cc1 764999517 GSMDUPWCDOWCPR-UHFFFAOYSA-N 309.822 3.132 10 10 DGCE C[C@H](NC(=O)N1CCC[C@@H]1C1CC1)c1ccc(N(C)C)cc1 773615994 CQFHSHQVDIVTJD-SUMWQHHRSA-N 301.434 3.398 10 10 DGCE CN(Cc1cccn1C)c1ccc(OCCN2CCCC2)cc1 780780025 HUMBBRIFSBWHPK-UHFFFAOYSA-N 313.445 3.136 10 10 DGCE COc1ccc(Cn2cc(NCc3ccccc3O)cn2)cc1 790652211 IETFODKVUSBWOS-UHFFFAOYSA-N 309.369 3.258 10 10 DGCE C[C@H](N[C@@H](C)[C@H](O)c1ccccc1)c1cc(F)cc(F)c1O 808721086 HORBHWMZJKWCLH-MMPTUQATSA-N 307.340 3.443 10 10 DGCE CN(C)c1ccc(/C=C\CN(C)C2C[C@@H]3CC[C@H](C2)N3C)cc1 835053138 KUDHNRZZTGNBMC-HDJSNOHJSA-N 313.489 3.323 10 10 DGCE C[C@@H](NCc1ccc(N(C)C)c(F)c1)[C@@](C)(O)c1ccccc1 846035739 DIJWPHRGMLTXKD-AUUYWEPGSA-N 316.420 3.278 10 10 DGCE CCc1cccc(CN2CCC(C(=O)N(CC)CC)CC2)c1O 848883746 RYORKXSIZHRDAT-UHFFFAOYSA-N 318.461 3.035 10 10 DGCE Cc1cc(N(C)C)ccc1CNCc1c(C2CCC2)cnn1C 850138106 AAZSGVGXPCVTPN-UHFFFAOYSA-N 312.461 3.352 10 10 DGCE COc1ccc(N2CC[C@H](N[C@@H]3CCC[C@H]4C[C@]43C)C2)cc1 850486127 GHSWOGSFENYNIN-ILRDRHFLSA-N 300.446 3.442 10 10 DGCE CC(C)[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)C1CC1 852649824 UOVUMHPPIINUOL-INIZCTEOSA-N 307.413 3.126 10 10 DGCE COc1cc(O)c(CNCC[C@H]2CC2(Cl)Cl)cc1OC 857065661 SUCHYSPWPGXYPL-JTQLQIEISA-N 320.216 3.083 10 10 DGCE COc1cc(CN[C@H]2CO[C@@H](C3CC3)C2)c(O)c(C(C)(C)C)c1 858297138 BEYQVJAXRKUKCF-RHSMWYFYSA-N 319.445 3.355 10 10 DGCE COc1cc(CN2CC3(CCCO3)C2)c(O)c(C(C)(C)C)c1 862484436 OSAKPDAMNLHJFE-UHFFFAOYSA-N 305.418 3.063 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)[C@H](C)c1cncnc1 863913663 XUWMKEAVKLGBDU-CQSZACIVSA-N 313.401 3.115 10 10 DGCE COc1ccc(-n2c(C)cc(-c3nc(C4(N)CC4)no3)c2C)cc1 905318927 HDKAMUCLUTWUEJ-UHFFFAOYSA-N 324.384 3.101 10 10 DGCE COc1ccc(CNC[C@H](O)c2cccc(Cl)c2)cc1C 918197926 PKYKDBYITUBGEP-INIZCTEOSA-N 305.805 3.480 10 10 DGCE Clc1ccnc2c1CC[C@H]2NCc1ccc2c(c1)CCO2 924901357 SEPFAXNJRPFIRV-OAHLLOKOSA-N 300.789 3.447 10 10 DGCE CC[C@@H](NC[C@@]1(C(F)(F)F)CCCN1)c1ccccc1O 925853374 INULGCWVLYLHKD-TZMCWYRMSA-N 302.340 3.117 10 10 DGCE O=C(NCc1c(O)cccc1F)c1cccc(N2CCCC2)c1 928710758 JDTXKQBVNGODBU-UHFFFAOYSA-N 314.360 3.062 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@@]12CCOC2 1117996855 GIBRIQUDSSNKRK-KRWDZBQOSA-N 316.426 3.161 10 10 DGCE Cc1cc(F)cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1N 1296648787 NUJVMSDNOACQAM-GFCCVEGCSA-N 315.392 3.273 10 10 DGCE C[C@@H](NC(=O)[C@H](CCCO)c1ccccc1)c1ccccc1O 1347190735 VJEDUHIWYLBOEY-RHSMWYFYSA-N 313.397 3.126 10 10 DGCE C[C@@H](NC(=O)c1cccc(-c2cnn(C)c2)c1)c1ccccc1O 1587447540 WFRSOGYMFONRAI-CYBMUJFWSA-N 321.380 3.284 10 10 DGCE Cc1cc(N(C)C)cc(C)c1NC(=O)c1cccc(O)c1O 1597170864 FBHMLVZCUFWCTC-UHFFFAOYSA-N 300.358 3.033 10 10 DGCE Cc1cc(C(=O)NCc2ccc3cccnc3c2O)ccc1F 1627073203 MDOGBZQGUNTIBM-UHFFFAOYSA-N 310.328 3.318 10 10 DGCE Cc1ccc(F)c(N)c1C(=O)NCc1cc(Cl)ccc1O 1640924917 WOHCZPSAGOXXJI-UHFFFAOYSA-N 308.740 3.005 10 10 DGCE CC(C)NC(=O)[C@H]1CCc2c(c3cc(Cl)ccc3n2C)C1 1858153631 OXQQVANGRBYQRS-NSHDSACASA-N 304.821 3.461 10 10 DGCE CCCOC(=O)c1ccc(/N=N/N2C[C@@H](C)O[C@H](C)C2)cc1 1860482580 UYRXZRQQZSHBMC-HWSXFHHQSA-N 305.378 3.361 10 10 DGCE CCN1CCN(/N=N/c2ccc(Cc3ccncc3)cc2)CC1 1860486603 KERGUHBULROEOW-QZQOTICOSA-N 309.417 3.309 10 10 DGCE Cc1csc(C)c1S(=O)(=O)N1CCC[C@H](CN=[N+]=[N-])C1 1912165062 FTILAPNAAPYNMV-LLVKDONJSA-N 314.436 3.076 10 10 DGCE COc1ccc(N(C)Cc2nccn2Cc2ccccc2)c(N)c1 1915034429 ZZFIVWLHNGWJPT-UHFFFAOYSA-N 322.412 3.159 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CN(CCCCN=[N+]=[N-])CC12CC2 1962287626 LDKKOTUSEKZMON-LBPRGKRZSA-N 309.414 3.066 10 10 DGCE CC(C)(C)OC(=O)NCC1CCN(CCCCN=[N+]=[N-])CC1 1962302132 XZFRZKYFAVQQIK-UHFFFAOYSA-N 311.430 3.314 10 10 DGCE CN(C)c1ccc([C@@]2(O)CCC[C@H]2NC(=O)OC(C)(C)C)cc1 1977959502 SBNHVMABBFLFQJ-QAPCUYQASA-N 320.433 3.017 10 10 DGCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@H]1CCC[C@H]1N 1978851216 NEONSUJASMWCPN-CVEARBPZSA-N 319.449 3.027 10 10 DGCE CN[C@@H](c1cnc(NC(=O)OC(C)(C)C)o1)c1ccccc1O 1981489648 APZIRPISCKZXHJ-CYBMUJFWSA-N 319.361 3.036 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H]2CN(CCCCN=[N+]=[N-])CC[C@@H]21 1982245141 CDTGYCBCBLUIDP-KBPBESRZSA-N 323.441 3.408 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[C@]21COc1ccc(N)cc1 1992519555 KSHXGAIEYNIBQP-DWQUBVKVSA-N 318.417 3.341 10 10 DGCE N[C@@H]1CCc2cc(N(Cc3ccccc3)[C@@H](CO)C3CC3)ccc21 2012693026 WGELIAAMIZZGTR-RTWAWAEBSA-N 322.452 3.410 10 10 DGCE COc1ccc(O)c([C@@H](C)n2nc(CC(C)C)cc2C(=O)O)c1 2069878123 UWJZMBYGNDCKKZ-LLVKDONJSA-N 318.373 3.103 10 10 DGCE Cc1ccc(O)c(Cn2nc(C(C)C)c(CO)c2C(F)F)c1 2078998033 BTLCDUPPPAXVQK-UHFFFAOYSA-N 310.344 3.499 10 10 DGCE Cc1cc(O)c([C@H](C)n2nc(C(C)(C)C)c(N)c2N)cc1C 2080030670 QCPCWAYKKDEHIQ-NSHDSACASA-N 302.422 3.277 10 10 DGCE C[C@@H](O)c1ccc(N2CC3(CC=CCO3)C2)c(Br)c1 2094982091 VBBYJWOWBSSXIM-LLVKDONJSA-N 324.218 3.038 10 10 DGCE Nc1cccc(Br)c1NC1CCN(C2CCC2)CC1 2116445524 JZLRCIUGVJHZSN-UHFFFAOYSA-N 324.266 3.460 10 10 DGCE C[C@@H]1CCCC[C@@H]1S(=O)(=O)N1CCC[C@H](N=[N+]=[N-])CC1 2155557794 YBVDWXVGVJHFIC-AGIUHOORSA-N 300.428 3.060 10 10 DGCE CNCc1ccc(N2CC(COC(F)(F)F)C2)cc1Cl 2156328963 HUUOJDBEHMJOTR-UHFFFAOYSA-N 308.731 3.032 10 10 DGCE COc1ccc2nc(Sc3ncc([C@@H](C)O)s3)[nH]c2c1 2159806996 FDZYKEKCJOUBAA-SSDOTTSWSA-N 307.400 3.233 10 10 DGCE F[C@H]1C[C@@H](F)CN(c2ccc(CNC3CC3)c(Cl)c2)C1 2182606882 WEELUTXFJQYNGB-TXEJJXNPSA-N 300.780 3.478 10 10 DGCE Oc1ccc(Br)cc1CN[C@H]1CCC[C@H]1CF 2251062120 WRVZLUFZRBOLPP-CABZTGNLSA-N 302.187 3.383 10 10 DGCE CCOC(=O)CCSc1ncc(CNC(C)(C)C)s1 2266597383 ZREKLJYTRYLJSL-UHFFFAOYSA-N 302.465 3.077 10 10 DGCE COc1ccc(NCc2ccc(Br)cc2O)c(C)n1 2266848864 JABLCUSMPIOSMB-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE Cc1c(Br)ccnc1[C@H](O)c1ccc(N(C)C)cc1 2272770498 WGPUCELQHDCVQJ-OAHLLOKOSA-N 321.218 3.300 10 10 DGCE OC[C@@]1(NC2CC2)CCCC[C@H]1CCSc1nccs1 2288723354 OLRKFJDLKIYLFT-WFASDCNBSA-N 312.504 3.299 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)N1CCC2(CCCCC2)C1 2307988023 YVHFMFQEKOYVEV-UHFFFAOYSA-N 301.386 3.294 10 10 DGCE C[C@@](Sc1nccs1)(C(=O)O)C(F)(F)C(F)(F)F 2326903857 ODVFJYMLKHYFPG-ZCFIWIBFSA-N 307.265 3.276 10 10 DGCE NCc1cc(F)c(N2CC[C@@H](SC(F)F)C2)cc1Cl 2340101402 WCVMHNPWEBFTDV-MRVPVSSYSA-N 310.772 3.472 10 10 DGCE CC1(C)[C@H]2CC[C@@]1(C(=O)Oc1cccc3ccccc13)C(=O)C2=O 101104415 WLPJHQSDZLYESP-XOBRGWDASA-N 322.360 3.320 10 10 DGCE CNC1C[C@H]2CC[C@H](C1)N2c1cc(Cl)c(OC)cc1OC 108033367 RZDCUOAIZNCBQC-VXGBXAGGSA-N 310.825 3.076 10 10 DGCE Oc1c(CN2CCCC2)cc(Br)c2cccnc12 20075886 FPVYUXXOQJWEAY-UHFFFAOYSA-N 307.191 3.299 10 10 DGCE CN(Cc1ccccc1O)C(=O)[C@H]1C[C@H]1c1cccc(F)c1F 175504016 FESYZYIQNNLPQR-KBPBESRZSA-N 317.335 3.433 10 10 DGCE CSC[C@H](C)CNCc1cccc(Br)c1O 68999116 YWEGUADLEKEESF-SECBINFHSA-N 304.253 3.243 10 10 DGCE CC(C)N1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 33318278 LWTTXPPYGCVQRQ-WUXMJOGZSA-N 307.396 3.025 10 10 DGCE C[C@@H](Nc1ccc(Cl)c(C(N)=O)c1)c1cc(O)ccc1O 37046020 HPJBBNUATSNZSN-MRVPVSSYSA-N 306.749 3.023 10 10 DGCE COc1c(C)cnc(CN(C)c2ccc3c(c2)OCO3)c1C 121299569 ALHALVGCPRARDC-UHFFFAOYSA-N 300.358 3.072 10 10 DGCE CCC(CC)CCS(=O)(=O)N1CCC[C@@H](N=[N+]=[N-])CC1 2363201537 YHSDRFPDXFMYFG-CYBMUJFWSA-N 302.444 3.307 10 10 DGCE COC[C@H](N[C@H](C)c1cc(OC)ccc1O)c1ccccc1 186034596 OKPUNASCMZQKHG-DYVFJYSZSA-N 301.386 3.439 10 10 DGCE Cc1ccc([C@H](C)NCCCc2nc(C(C)C)no2)c(O)c1 185319486 PFYCPRGBVASFHP-ZDUSSCGKSA-N 303.406 3.490 10 10 DGCE CC[C@@H](N)Cc1cccc2c1ccn2CCOC(F)(F)F 89056589 IGVJMGGJBAIENS-GFCCVEGCSA-N 300.324 3.458 10 10 DGCE Cc1cc(N)c(Cl)cc1N1C(=O)CC2(CCCCC2)C1=O 229134786 HKMGQSIBQMTJQP-UHFFFAOYSA-N 306.793 3.444 10 10 DGCE C[C@@H](NCCCN(C)C(=O)OC(C)(C)C)c1c(O)cccc1O 235212500 YXOCXKBXQKYILW-GFCCVEGCSA-N 324.421 3.005 10 10 DGCE Cc1cnc(CNC(=S)Nc2ccc(N)cc2Cl)c(C)c1 242635560 CQAKMKNULULRSQ-UHFFFAOYSA-N 320.849 3.421 10 10 DGCE Cc1cc(Cl)cc(CN2C[C@@H](N3CCCC3)C[C@@H]2C)c1O 809704152 WEXZOJCVBYYUMK-BBRMVZONSA-N 308.853 3.413 10 10 DGCE C[C@H](NCC1(N)CCCCCC1)c1cc([N+](=O)[O-])ccc1O 817943156 JOMUZDMXWBWWPV-LBPRGKRZSA-N 307.394 3.003 10 10 DGCE Cc1cc(C)c([C@@H](C)NCC2(O)Cc3ccccc3C2)c(O)c1 815583037 VJHZDXFSLSOFIX-OAHLLOKOSA-N 311.425 3.190 10 10 DGCE COc1nscc1CN(C)c1ccc([C@@H](C)O)c(Cl)c1 723221687 SCMRORDZEJDKLW-SECBINFHSA-N 312.822 3.495 10 10 DGCE Cc1cccc(CN2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c1O 824636839 UHQMZMYDOUEEAK-PKOBYXMFSA-N 315.388 3.001 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@H]2c3ccccc3C[C@H]2O)cc1 835043815 ZKEATWMGWUGNCX-XSXCZSQGSA-N 308.425 3.014 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCC[C@@H](n3ccnc3)C2)cc1 835028782 SHFPVUGEKRYWMS-MEDHRJKHSA-N 310.445 3.299 10 10 DGCE Cc1cc(O)c(CN(CCO)Cc2ccccc2)c(Cl)c1 840908171 OJHOWFSCYWCBBH-UHFFFAOYSA-N 305.805 3.349 10 10 DGCE Cc1cc(Br)cc([C@@H](C)N[C@H]2C[C@@](C)(O)C2)c1O 841760361 UPAJBVRBWQROKJ-UDZFHETQSA-N 314.223 3.027 10 10 DGCE Oc1cc2c(cc1CN1CCC[C@H]1[C@@H]1CCCOC1)CCC2 842612831 OVULVKMNZXYWKX-AEFFLSMTSA-N 301.430 3.272 10 10 DGCE COC[C@H]1CCN1C(=O)c1cc(C)ccc1-n1c(C)ccc1C 843893410 OBIHUUAEJCYWEZ-MRXNPFEDSA-N 312.413 3.263 10 10 DGCE Cc1cc(N(C)C)ccc1CN[C@H](C)c1cn2c(n1)CCCC2 925077444 ALWWGJVMEFFELO-OAHLLOKOSA-N 312.461 3.445 10 10 DGCE CC(C)=CC[C@H]1NC(=O)N([C@@H](C)c2ccc(N(C)C)cc2)C1=O 924714394 BZAQIZVVUHTPRZ-XJKSGUPXSA-N 315.417 3.090 10 10 DGCE Cc1nc(Cl)nc(Cl)c1CCN1CCC[C@H]1CN=[N+]=[N-] 2179617303 SAPACJMOQLBBBW-VIFPVBQESA-N 315.208 3.409 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)[C@H]1C[C@@H]1C1CCCC1 862025502 WPPJYPAZTWDEGQ-CVEARBPZSA-N 310.397 3.383 10 10 DGCE O=C(NCc1ccccc1O)c1cccc([C@H]2CCCOC2)c1 767086974 CJRFMYSERKSMHA-KRWDZBQOSA-N 311.381 3.216 10 10 DGCE CN(C)c1cc(F)c(CN2CCC(c3cnc[nH]3)CC2)cc1F 862246846 VAFZLIDJXXSKEU-UHFFFAOYSA-N 320.387 3.134 10 10 DGCE C[C@H](NC(=O)NC[C@]1(C)CC1(Cl)Cl)c1ccccc1O 868669535 YYRBSDZKAIHXLO-ZANVPECISA-N 317.216 3.336 10 10 DGCE CC[C@H](N[C@@H]1CCN[C@H]1C)c1ccc(Cl)c(Cl)c1O 863547724 WQGGQLHOTVELIB-KPXOXKRLSA-N 303.233 3.490 10 10 DGCE C[C@H](NC(=O)NC[C@H]1[C@H]2c3ccccc3C[C@H]21)c1ccccc1O 868423340 ZHIMRDAQXKACAE-CTSOBWNQSA-N 322.408 3.338 10 10 DGCE C[C@@H]1C[C@H](CN(Cc2ccccc2O)C[C@@H]2CCCO2)CCO1 778991585 AQNPFXNPPHPUKK-NUJGCVRESA-N 319.445 3.188 10 10 DGCE COc1ccc(NC(=O)NCc2ccccc2O)c2ncccc12 771276044 FSDDQVNPKUFGJZ-UHFFFAOYSA-N 323.352 3.271 10 10 DGCE FC1(F)[C@H]2C[C@@H](NCc3ccc(N4CCOCC4)cc3)CC[C@H]21 1118564508 CNFZHQFKPFPTST-UAGQMJEPSA-N 322.399 3.047 10 10 DGCE C[C@H]1C[C@H](C)CN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 895464939 KVCQORIEYQZOMS-UWVGGRQHSA-N 305.399 3.431 10 10 DGCE CN(CCCSc1ncc(N)s1)C(=O)OC(C)(C)C 1881259006 XBGHFOGSBVSMLV-UHFFFAOYSA-N 303.453 3.074 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)NCc1cccnc1F 793305815 XTFIBAHGHXRLLP-UHFFFAOYSA-N 317.364 3.048 10 10 DGCE c1cc(N2CCCC2)ccc1CN[C@@H]1CCC[C@@H]2OCC[C@@H]21 1200972194 WKPNPGMTHUORIB-QRVBRYPASA-N 300.446 3.334 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCCN=[N+]=[N-] 1962299361 MLGSBRGZBLETCF-OLZOCXBDSA-N 309.414 3.161 10 10 DGCE CCCC1(NC(=O)OC(C)(C)C)CCN(CCN=[N+]=[N-])CC1 1962304099 LDLFQBJNCGUGNG-UHFFFAOYSA-N 311.430 3.456 10 10 DGCE Oc1cccc(Br)c1CNC1C[C@H]2[C@H](C1)C2(F)F 706843855 FJDRBYKGNQZBJA-UWVGGRQHSA-N 318.161 3.288 10 10 DGCE CC(C)[C@@H]1C[C@H](NCc2cccc(Br)c2O)CO1 691488305 NJVBRCBHRRUYDY-AAEUAGOBSA-N 314.223 3.058 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)c1cccnc1C1CC1 1299723951 AKEYHLBVTXNBFS-UHFFFAOYSA-N 319.364 3.143 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)/C(C)=C/c2cccnc2)c1 1465992798 MUDFQXKTTYHIHS-CNELAYHGSA-N 312.369 3.077 10 10 DGCE C[C@H](NC(=O)c1cc(F)c(F)cc1N)c1ccc(N(C)C)cc1 1634448788 XZVXVSIMQWNVQZ-JTQLQIEISA-N 319.355 3.104 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc2c(n1)CCCC2 1637447157 LIVBAXAPYQMKJR-UXBLZVDNSA-N 310.353 3.024 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2N[C@H]3CC[C@H]2C3)c1 1645523584 ZIWRMYPRKHAMFD-HOTGVXAUSA-N 309.413 3.284 10 10 DGCE COC(=O)CC1(CN(CC2CC2)c2ccc(OC)cc2)CC1 1645726383 GBKYLXJIALSICL-UHFFFAOYSA-N 303.402 3.255 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCOC2(C)C)cc1 1587725266 WGICWVKJCDUZKV-KRWDZBQOSA-N 312.413 3.391 10 10 DGCE C[C@H](Oc1ccc(N)cc1)C(=O)NC12CC3CC(CC(C3)C1)C2 1860082409 MGLANUGQPDMKHO-UHSVVUDUSA-N 314.429 3.121 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN(C(=O)c2cccnc2Br)C1 1912193041 BMDSKXYIVGQODG-SECBINFHSA-N 324.182 3.007 10 10 DGCE COc1ccc(O)c(CN[C@H]2CC[C@H]2OCc2ccccc2)c1 1939572919 BATVVUHUANMDFY-PKOBYXMFSA-N 313.397 3.238 10 10 DGCE CN(Cc1cc(N)ccc1O)[C@H]1CC[C@@H]1OCc1ccccc1 1939601297 AEEJJVZHVCGVNT-HKUYNNGSSA-N 312.413 3.154 10 10 DGCE CN[C@H](C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1O 1980360639 SLMBSGNSLBLNMY-UMVBOHGHSA-N 320.433 3.346 10 10 DGCE Oc1c(F)cc(Br)cc1CNC1CC(CF)C1 1999387795 ABWIZXVAIHQVED-UHFFFAOYSA-N 306.150 3.132 10 10 DGCE Cc1ccc([C@H](NN)c2ccccc2O)c(Br)c1 2029546006 XEKLXGIGAUWLJR-AWEZNQCLSA-N 307.191 3.016 10 10 DGCE C[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)[C@H](CN)C1 300087788 KWBXBYVIKHMMGS-SKDRFNHKSA-N 303.233 3.258 10 10 DGCE CO[C@@H]1CCCN(Cc2ccc(Br)cc2O)[C@H]1C 2037811582 HWYMMJJOQMYJMX-IINYFYTJSA-N 314.223 3.154 10 10 DGCE C[C@@H](c1cc(Br)ccc1O)N(C)[C@@H]1CO[C@H](C)C1 401442111 WJRXUKZNEJBSKK-SCVCMEIPSA-N 314.223 3.325 10 10 DGCE C[C@@H]1O[C@H](C)[C@@H](NCc2cccc(Br)c2O)[C@H]1C 527804335 OMIAIDHWCNXVGA-XHSYRHOGSA-N 314.223 3.056 10 10 DGCE C[C@@H](NCc1coc(Br)c1)c1cc(O)ccc1O 393558469 SGNZYZUWKZZVCF-MRVPVSSYSA-N 312.163 3.304 10 10 DGCE CCOC1(C)CN(c2ccc([C@@H](C)N)cc2Br)C1 399264235 ROQLDVCPUNVJET-SNVBAGLBSA-N 313.239 3.084 10 10 DGCE C[C@@H]1CCN(Cc2ccc(Br)cc2O)C[C@H]1F 825440809 LDOORQMCGDKLGI-BXKDBHETSA-N 302.187 3.335 10 10 DGCE Cc1cccc([C@H](C)n2nc(C(C)C)cc2C(=O)N(C)C)c1O 2070076606 MWAXURVRLHXVFU-ZDUSSCGKSA-N 315.417 3.332 10 10 DGCE COCCN(c1cc(Cl)c(CN)cc1F)C1CCCC1 2177379012 WLHLEGOAXIKQIE-UHFFFAOYSA-N 300.805 3.333 10 10 DGCE CN[C@@H](C)c1cc(F)c(N(C)C[C@H]2CCSC2)c(F)c1 2194695833 YAYRPTMWVLUPKR-WDEREUQCSA-N 300.418 3.435 10 10 DGCE CN(Cc1ccc(N)cc1)c1cc(Br)ccc1N 2071644160 LQBJOPXUTVCJJC-UHFFFAOYSA-N 306.207 3.250 10 10 DGCE CP(C)(=O)[C@H]1CCCN(c2ccc(CN)cc2Cl)C1 2103091165 OFVNGGRENAMJQM-LBPRGKRZSA-N 300.770 3.390 10 10 DGCE Cc1cc(Br)ccc1[C@H](O)[C@H](N)c1ccccc1O 2091859171 NESOPZMABAOEOQ-CABCVRRESA-N 322.202 3.197 10 10 DGCE CCN[C@@H](CSc1nccs1)c1cnc2sccn12 2099598857 SVAQCCMIQMORAO-VIFPVBQESA-N 310.473 3.295 10 10 DGCE CSc1ncc(CNc2nc(C)c(C)cc2C(=O)O)s1 2284541021 HTMKNVIAIZDNQH-UHFFFAOYSA-N 309.416 3.187 10 10 DGCE CCOc1ccccc1N=NN1CCN(c2ccccn2)CC1 2318775779 KTRBDRUREUZZNJ-UHFFFAOYSA-N 311.389 3.301 10 10 DGCE Oc1c(Br)cccc1CN[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2F 2308606910 TWZXHQLPQMAQKE-XRRVDJEJSA-N 314.198 3.381 10 10 DGCE CC(C)CN1N=C(c2ccccc2)C(=Cc2cccnc2)C1=O 2332128657 PFEJNXVBJAYNEQ-UHFFFAOYSA-N 305.381 3.368 10 10 DGCE Cc1ccc(CN(C)C(=O)NC(C)C)c(O)c1Br 2327607550 GMBBNUBSRUKWSQ-UHFFFAOYSA-N 315.211 3.013 10 10 DGCE Cc1ccc(CN2C(=O)[C@H](C)C[C@H]2C)c(O)c1Br 2327801885 VURUCTZQFWTWJS-NXEZZACHSA-N 312.207 3.220 10 10 DGCE COc1cccc(CNC(=S)SCC(=O)C(C)(C)C)c1 3120064 IGYIQDFCYOKWEA-UHFFFAOYSA-N 311.472 3.418 10 10 DGCE CC(C)(C)OC(=O)N[C@]1(c2ccc(N)cc2O)CC=CCC1 1953052938 KFFFRKNTFDIRPG-QGZVFWFLSA-N 304.390 3.435 10 10 DGCE COc1cc(OC)c(N2[C@H]3CCC[C@@H]2CC(N)C3)cc1Cl 54601726 LMDPGTFDHOSJIM-YOGCLGLASA-N 310.825 3.206 10 10 DGCE Cc1cncc(/C=C/C(=O)NCc2ccc(N3CCCC3)cc2)c1 178820942 BOQINDQWHWNRQE-RMKNXTFCSA-N 321.424 3.320 10 10 DGCE Cc1ccc(N2NC(=O)/C(=C/C=C\c3ccccc3)C2=O)cc1 33586340 WSTIWTNEALTGTP-NPFCYVKHSA-N 304.349 3.013 10 10 DGCE O=[N+]([O-])c1cc(I)cc2scc(O)c12 306822735 RHEAKRRCAJLGEE-UHFFFAOYSA-N 321.095 3.120 10 10 DGCE CCNCc1ccc(N(C)CC[C@@H](C)O)c(C(F)(F)F)c1 135587005 KZSYEKRQIVKDFW-LLVKDONJSA-N 304.356 3.022 10 10 DGCE CCCc1ccccc1NS(=O)(=O)Cc1ccc(N)cc1 49554718 OWKHAGVHMITBAM-UHFFFAOYSA-N 304.415 3.163 10 10 DGCE CCN[C@@H](C)c1ccc(N2C[C@@H](N(C)C)[C@H](C)C2)cc1Cl 227225959 BHSBINRFUWOUQS-IIYDPXPESA-N 309.885 3.397 10 10 DGCE Oc1ccc(Cl)c(F)c1CN1CCC(Cn2cccn2)CC1 191341573 VOBRORFDGRLISL-UHFFFAOYSA-N 323.799 3.293 10 10 DGCE CO[C@@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)CC[C@H]1C 249959028 WCZJDPAZHYLSRG-MLGOLLRUSA-N 307.434 3.252 10 10 DGCE CCOCc1cc(CNCC[C@@H]2CCCOC2)ccc1OC 527736707 FEHHIFXSSNWYLX-HNNXBMFYSA-N 307.434 3.138 10 10 DGCE CN1CCc2cc([C@H](N)[C@@H](O)c3ccc(Cl)s3)ccc21 2163124624 YPBVEWWCYOVDED-GJZGRUSLSA-N 308.834 3.127 10 10 DGCE C[C@@H](N[C@H]1CC12CCNCC2)c1cc(Cl)c(Cl)cc1O 817976169 HODSDBSNEWQVHC-OTYXRUKQSA-N 315.244 3.492 10 10 DGCE Cc1cc(Cl)cc(CN[C@@H]2CCC[C@@H]([S@@](C)=O)C2)c1O 826911314 VZINFLUQIXLRMH-ARGWCVDVSA-N 315.866 3.133 10 10 DGCE Oc1c(Cl)cccc1CNc1ccc([C@@H]2CNCCO2)cc1 849352657 OUWSRZRVMNCXDI-INIZCTEOSA-N 318.804 3.319 10 10 DGCE CN1Cc2c(NC/C=C/c3ccc(N(C)C)cc3)cccc2C1=O 840958297 QDQKTJIIEKCVIB-AATRIKPKSA-N 321.424 3.464 10 10 DGCE CNCc1ccccc1CNC/C=C/c1ccc(N(C)C)cc1 844904292 GXUIZYUBGSVJRL-VOTSOKGWSA-N 309.457 3.275 10 10 DGCE C[C@H]1CCCc2ncc(-c3nc(Cc4ccc(N)cc4)no3)n21 844906541 QSHOHJIPXFHNLT-NSHDSACASA-N 309.373 3.003 10 10 DGCE COc1ccc(N(Cc2cnn(CCF)c2)C(C)C)cc1F 929951286 PXTHJNWKDYCOAT-UHFFFAOYSA-N 309.360 3.415 10 10 DGCE CC[C@H](N[C@H](COC)C1CCOCC1)c1ccc(C)cc1O 850494746 XXXJSMFCZAMDEU-DLBZAZTESA-N 307.434 3.183 10 10 DGCE Cc1cc(F)ccc1CN(C)C(=O)/C=C\c1ccc(O)c(O)c1 754699127 MMJUOVZZIDLBCG-YWEYNIOJSA-N 315.344 3.217 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@H](CO)c2sccc2C)c1 756736012 KKTQOCIMUKFRPD-SMDDNHRTSA-N 307.415 3.155 10 10 DGCE COC(=O)CC(C)(C)C[C@@H](C)NCc1ccc(N(C)C)c(F)c1 850430154 IVFTTYZOPPXQMY-CYBMUJFWSA-N 324.440 3.349 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CC23CCCC3)c1 759304547 IDLUHWVOQSMWRT-ABAIWWIYSA-N 304.390 3.094 10 10 DGCE COc1cc(N2CCC[C@@H](CCF)C2)c([N+](=O)[O-])cc1OC 853855668 ZSZQFMRFEQVDRW-NSHDSACASA-N 312.341 3.188 10 10 DGCE C[C@@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)C[C@@H]1F 779148658 IGQAXMKOBQIAML-KCJUWKMLSA-N 302.733 3.134 10 10 DGCE Cc1sccc1CC(=O)N(C)Cc1ccc(N(C)C)cc1 786710298 YHPYVGGNUPNZLW-UHFFFAOYSA-N 302.443 3.324 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)NCC2(CC3CC3)CC2)cc1 899201202 XCUYQSJPYRPTIG-UHFFFAOYSA-N 300.362 3.159 10 10 DGCE CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1Nc1ccc(N)cc1 1959372848 BFNLVHSGOYBBSY-DOMZBBRYSA-N 305.422 3.374 10 10 DGCE Cc1cccc(N)c1N[C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 1959368134 SCFIJRCQJHZGQV-LBPRGKRZSA-N 305.422 3.245 10 10 DGCE c1cc(N2CCCC2)ccc1CN1CCC[C@@H]2COCC[C@@H]21 1324777098 VDCBTEMXUHLCDW-MJGOQNOKSA-N 300.446 3.288 10 10 DGCE CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2[C@@H]2CCCO2)c1O 1176927492 SJIUUNCBWCWMAU-SJORKVTESA-N 321.392 3.267 10 10 DGCE O=C(O)[C@H]1CCC[C@H](NCc2cc(Cl)cc(Cl)c2O)C1 86787757 PCCWEBFQFMPIDT-KWQFWETISA-N 318.200 3.432 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@@H](C)O[C@@H]2C)cc1F 1443764454 AQYYCGKOCXJIBM-UMVBOHGHSA-N 322.424 3.102 10 10 DGCE COc1ccc2c(c1)CCCCN2C(=O)c1cccc(O)c1O 1295182395 JKUAQTJQUKOZTH-UHFFFAOYSA-N 313.353 3.090 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)c1cc2ncccc2o1 1294869460 NEPNONDGQLBKHQ-UHFFFAOYSA-N 322.364 3.342 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2c(C)ccc([N+](=O)[O-])c2C)c1 1470258825 ZKUQSIGAGMNSDV-UHFFFAOYSA-N 314.341 3.156 10 10 DGCE COc1ccc2c(c1)C[C@@H](C(C)C)CN2CCc1ccnn1C 1473570291 QVFLLZDMZOTJCH-MRXNPFEDSA-N 313.445 3.306 10 10 DGCE CC(C)c1scnc1NC(=O)/C=C/c1ccc(O)c(O)c1 1636884626 LEPFXDJDDSIWDC-GQCTYLIASA-N 304.371 3.330 10 10 DGCE Cc1ccc(O)c(CNC(=O)N[C@H](C)[C@@]23CCCC[C@@H]2C3)c1 1637638439 JJLFBJNZPIYTOE-SIIHOXLZSA-N 302.418 3.469 10 10 DGCE CCCn1cc(C(=O)NCc2c(O)ccc3ccccc23)c(C)n1 1635968939 JRMGIGWZWTVYAQ-UHFFFAOYSA-N 323.396 3.390 10 10 DGCE C[C@H](NC(=O)c1cc(C(F)(F)F)ccc1N)c1ccccc1O 1635803370 CKJMGLMTAGZXED-VIFPVBQESA-N 324.302 3.484 10 10 DGCE Cc1c(C(=O)NCc2ccc(O)cc2O)oc2ccc(F)cc12 1638352731 VTEXOMTWVKOOMN-UHFFFAOYSA-N 315.300 3.222 10 10 DGCE Cc1cc(CN2C[C@H](C)[C@@](C)(CO)C2)ccc1N1CCCCC1 1647806501 IFPJHZUGZKIGJK-FXAWDEMLSA-N 316.489 3.436 10 10 DGCE CC1CCC(N2CCN(Cc3ccc(N(C)C)cc3)CC2)CC1 1641791551 NVYICZRZKDYECZ-UHFFFAOYSA-N 315.505 3.449 10 10 DGCE CC(=O)c1ccc(NC(=O)NCc2c(O)cccc2F)cc1 1658120107 RMXCPFMFXWRIKQ-UHFFFAOYSA-N 302.305 3.056 10 10 DGCE COC(=O)/C=C/c1ccc(N2C[C@H]3CCC[C@H]2C3)c([N+](=O)[O-])c1 1652304268 CCUXPPRTXSSBRM-AJKRIUKHSA-N 316.357 3.160 10 10 DGCE Cc1ccc(C)c(SCC(=O)NCc2c(O)cccc2O)c1 1652623704 ZUGQWHRQSQUKFB-UHFFFAOYSA-N 317.410 3.123 10 10 DGCE COc1ccc(C(=O)CCCC(=O)Nc2ccc(N)cc2)cc1 160378549 KBCIGJRIZKDMEW-UHFFFAOYSA-N 312.369 3.269 10 10 DGCE CC(C)CNCc1ccc(N2CCCN(C)CC2)c(Cl)c1 163932204 SZNUIYAQLFLETB-UHFFFAOYSA-N 309.885 3.228 10 10 DGCE CC(C)c1csc(NC(=O)[C@H](C)Oc2ccc(N)cc2)n1 1860083571 RPTRLBADXVTYMV-JTQLQIEISA-N 305.403 3.255 10 10 DGCE CCCOC(=O)c1cccc(NN=NCCN(CC)CC)c1 1860495348 WJSKMDIWOQGYNP-UHFFFAOYSA-N 306.410 3.374 10 10 DGCE O=C(O)C=Cc1ccc(N2C[C@H]3CSC[C@H]3C2)cc1Cl 1911926722 YDNCKDJXZHDWMG-TXEJJXNPSA-N 309.818 3.237 10 10 DGCE CCN[C@H](CN(CC)C(=O)OC(C)(C)C)c1ccccc1O 1928468815 AOKWFRBPEWWIDD-CQSZACIVSA-N 308.422 3.300 10 10 DGCE Cc1ccc([C@H](C)N[C@H]2C[C@@H]2CNC(=O)OC(C)(C)C)c(O)c1 1973251396 QUFOJKNGAMPJFQ-GUTXKFCHSA-N 320.433 3.264 10 10 DGCE CN[C@@H](c1ccccc1O)[C@]12C[C@H](CN1C(=O)OC(C)(C)C)C2 1989662038 URCRBNBXABPVHG-XLWVJDPXSA-N 318.417 3.052 10 10 DGCE C[C@@H](Sc1nccs1)C(=O)Nc1ccc(Cl)cc1N 40676515 FNVCUPXMZISBHL-SSDOTTSWSA-N 313.835 3.498 10 10 DGCE CC[C@@H](Nc1c(Br)cnn1C)c1ccccc1O 2038257906 VVGSXGSKQVNRQK-LLVKDONJSA-N 310.195 3.451 10 10 DGCE C[C@H](O)c1cnc(Sc2nnc(C3CC3)n2C2CC2)s1 2159806331 VJYLYALORBXEIV-ZETCQYMHSA-N 308.432 3.151 10 10 DGCE COC[C@@H](C)CN(C)c1ccc([C@H](C)N)c(Br)c1 310913230 DLAPRRKDXRTXTK-QWRGUYRKSA-N 315.255 3.188 10 10 DGCE CNCc1ccc(N2CCN(Cc3ccccc3)C[C@@H]2C)cc1C 382764544 AYONYDOJFSDJTL-SFHVURJKSA-N 323.484 3.425 10 10 DGCE C[C@@H](CNCc1c(O)cccc1Br)[C@@H]1CCCO1 720608605 JPUXLNJFMUEYRA-HZMBPMFUSA-N 314.223 3.059 10 10 DGCE Oc1ccsc1-c1nc(-c2ccncc2Br)no1 395159184 RZXUDGFOMVGYLC-UHFFFAOYSA-N 324.159 3.328 10 10 DGCE CCC(CC)Cc1cc(O)n2nc(C(C)C)c(C(=O)OC)c2n1 2080924836 YWTNIWMKCKNJSJ-UHFFFAOYSA-N 319.405 3.324 10 10 DGCE CN[C@H](C)c1ccc(N2CCC(=CBr)C2)cc1O 2052273180 QFRZWAGIHBVGAW-SNVBAGLBSA-N 311.223 3.162 10 10 DGCE Cc1cnc(OCCc2ccc(N)cc2)c(Br)c1 2056264453 QYBBSUHCWIYXMA-UHFFFAOYSA-N 307.191 3.356 10 10 DGCE COCCN(CC(Cl)=CCl)c1ccc(OC)c(OC)c1 2300147202 IPVHEGKMUZSMPC-UHFFFAOYSA-N 320.216 3.476 10 10 DGCE CNCc1ccc(N(C)[C@H]2CC[C@@H]3C[C@H]23)cc1Br 2309071800 GLSYNGDXEAYSCA-DGFSRKRXSA-N 309.251 3.403 10 10 DGCE Cc1ccc(CNC(=O)[C@H]2CC[C@@H]2C)c(O)c1Br 2327799061 PZBCMZKTNZOGSQ-KWQFWETISA-N 312.207 3.125 10 10 DGCE Cc1ncc(CN(C)c2ccc([C@@H](C)N)c(Br)c2)o1 2342833482 JIKORLRAACZDHA-SECBINFHSA-N 324.222 3.402 10 10 DGCE COc1ccc(F)c(NC(=O)N(C)Cc2ccccc2O)c1 88406982 WOIQZKKFBHDCQK-UHFFFAOYSA-N 304.321 3.204 10 10 DGCE CCN(CC)c1ccc(CNCC2CCN(C)CC2)cc1F 152186156 ATGDKQMNIDBXJM-UHFFFAOYSA-N 307.457 3.103 10 10 DGCE C[C@@H](NCc1ccccc1)c1ccc(N2CCC(O)CC2)cc1 152940665 XVYLEZMCIANOJA-MRXNPFEDSA-N 310.441 3.499 10 10 DGCE C[C@@H](N)c1ccc(N(C)CCCCCO)c(Br)c1 227074373 GKXCTMKVQNFILU-LLVKDONJSA-N 315.255 3.068 10 10 DGCE CCn1cc(N2C(=O)/C(=C\c3ccccc3)SC2=S)cn1 255540390 CNJXITXZNPSEOJ-MDWZMJQESA-N 315.423 3.309 10 10 DGCE CC[C@H](NC[C@H]1CCC2(CCOCC2)[C@H]1O)c1ccccc1O 283374791 OHCUTICLQFDTSP-HFTRVMKXSA-N 319.445 3.001 10 10 DGCE COc1ccc(F)c(CNCc2ccc(N(C)C)c(F)c2)c1 293705968 XLLLWJDUFJQKND-UHFFFAOYSA-N 306.356 3.329 10 10 DGCE CC[C@@H](N[C@H]1CCCNC1=O)c1cc(Cl)cc(Cl)c1O 296365909 IZSKOPBNWPKBFO-NEPJUHHUSA-N 317.216 3.018 10 10 DGCE C[C@@H](NCc1cccc(Br)c1O)[C@H]1CCCCO1 393685547 VYGZASINIYNAJU-ZWNOBZJWSA-N 314.223 3.202 10 10 DGCE O=C(NCc1ccc(O)c(O)c1)[C@@H]1CC[C@H]1c1ccc(F)cc1 528863808 QPEDJXAGCQKTKM-LSDHHAIUSA-N 315.344 3.047 10 10 DGCE Oc1c(F)ccc(F)c1[C@@H](c1cccs1)N1CCOCC1 575302612 NZPAUXHSRHTCTI-CQSZACIVSA-N 311.353 3.154 10 10 DGCE O=C(/C=C\c1cccnc1)N1CC2(CCOCC2)c2ccccc21 588582381 URXMBPRGQMNASZ-FPLPWBNLSA-N 320.392 3.190 10 10 DGCE O=C(O)CCN(Cc1ccccc1)Cc1cc(F)ccc1O 692441500 RGFGZZVKLLYUPN-UHFFFAOYSA-N 303.333 3.008 10 10 DGCE COc1c(Cl)cc(C(=O)NCCCN=[N+]=[N-])cc1Cl 701320189 WSUDHOWJHOBNOX-UHFFFAOYSA-N 303.149 3.432 10 10 DGCE O=C(NCc1cc(Br)ccc1O)[C@@H]1C[C@H]2CC[C@H]1C2 804734689 WGWTWPLPFFADSN-OUJBWJOFSA-N 324.218 3.207 10 10 DGCE COc1ccc(N2CC[C@H](CN[C@@H](C)Cc3ccoc3)C2)cc1 818341909 IVSVVJJJZQCSGI-DOTOQJQBSA-N 314.429 3.335 10 10 DGCE Cc1cc(Cl)cc(CN2CCC[C@@H]2[C@H]2CCC[C@H]2O)c1O 824715520 LDGNIECBXXPLRB-BZUAXINKSA-N 309.837 3.479 10 10 DGCE O=C(NCCCSc1nccs1)N[C@@H]1CC[C@H]2C[C@H]2C1 826692648 JKBKEWQQLNPOOJ-SDDRHHMPSA-N 311.476 3.113 10 10 DGCE OCC1([C@@H](NCc2ccc3c(c2)CCO3)c2ccncc2)CCC1 827934657 MTCUZNTUAPJVTO-IBGZPJMESA-N 324.424 3.010 10 10 DGCE CN(C/C=C/c1ccc(N(C)C)cc1)CC(=O)OC(C)(C)C 835026790 HSUUKVOQKYLWCK-BQYQJAHWSA-N 304.434 3.039 10 10 DGCE C[C@@H](NCCc1cn(C)cn1)c1cccc(C(F)(F)F)c1O 840764555 VBOLWQRHXOMTES-SNVBAGLBSA-N 313.323 3.038 10 10 DGCE Cc1cc(O)c(CNc2ccc(OCCO)cc2)c(Cl)c1 840904926 FBLWHHMJWVDMAG-UHFFFAOYSA-N 307.777 3.337 10 10 DGCE C[C@@H](CNC[C@@H](N)c1ccc(N(C)C)cc1)Cc1ccccc1 841046059 VKGYTXBKICKYAK-OXQOHEQNSA-N 311.473 3.221 10 10 DGCE C[C@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@H](CC(C)(C)C)C1=O 843309484 ZIRHFNADRQJJKV-IUODEOHRSA-N 317.433 3.170 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@@H](C)c3ccc(F)cn3)C2)cc1 850489648 WGSKIIBSVLBGFD-DZGCQCFKSA-N 315.392 3.159 10 10 DGCE Cc1cc(CC(=O)NCC(C)(F)F)c(C)n1-c1ccccc1 854658702 IRDUWWDDAUFERZ-UHFFFAOYSA-N 306.356 3.408 10 10 DGCE COc1ccc(N2CC[C@H](CNCc3ccnc(C)c3)C2)cc1 858183058 RLPFWPNAFVBXLH-QGZVFWFLSA-N 311.429 3.015 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)C[C@H](C)C(F)(F)F 859421260 SVWKHQABDDGJPA-NSHDSACASA-N 302.340 3.266 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)C[C@@H](C)C(F)(F)F)c1 860242078 OWMLQHKWIVYRCB-BDAKNGLRSA-N 305.296 3.167 10 10 DGCE C[C@H](Oc1ccc2c(c1)CCC2)C(=O)N1Cc2cccc(O)c2C1 871198661 MIQYIQBRRFKYMJ-ZDUSSCGKSA-N 323.392 3.191 10 10 DGCE CCN1C(=O)/C(=C\c2c(C)ccc([N+](=O)[O-])c2C)SC1=S 871597796 AAMCWPNRNDYJOT-KPKJPENVSA-N 322.411 3.433 10 10 DGCE c1ccc([C@@H](NCc2ccc3c(c2)CCCO3)c2nc[nH]n2)cc1 893559103 GWLKUJNGNDEMAJ-GOSISDBHSA-N 320.396 3.009 10 10 DGCE C[C@H](N[C@@H](C1CC1)[C@H]1CCCOC1)c1cc([N+](=O)[O-])ccc1O 927069852 NKURMANKSVEVRQ-BNLOLNQZSA-N 320.389 3.156 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)c1c(Cl)ccnc1F 1123484172 MXBXWCTVFNFKPR-UHFFFAOYSA-N 321.783 3.212 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@H]3C[C@H]2[C@H]2C[C@@H]23)cc1 1125235823 VEBPYVACHRREJC-GYFISPQKSA-N 312.457 3.441 10 10 DGCE COc1ccc2c(c1)C[C@@H](C(C)C)CN2C[C@H]1COC(C)(C)O1 1171353550 NDRUHDWWEYYMEC-WBVHZDCISA-N 319.445 3.481 10 10 DGCE CCC(CC)CN1CCN(c2ccc(OC)cc2OC)CC1 1201534377 HGHMZMPWWPUHKI-UHFFFAOYSA-N 306.450 3.262 10 10 DGCE CCC[C@@H](C)C(=O)N1CC[C@H](NCc2ccc(OC)c(C)c2)C1 1267008029 YRJKGKWLEITVPN-PBHICJAKSA-N 318.461 3.130 10 10 DGCE C[C@@H]1C[C@@H]1Cn1c(C2CC2)nnc1N(C)Cc1ccccc1O 1304952952 XCNHOVISQOKBLL-IUODEOHRSA-N 312.417 3.154 10 10 DGCE Cc1cc(C)c2c(c1)N(C(=O)/C=C/c1cccnc1C)CCO2 1461333068 YIUSAGIGPQDQPM-VOTSOKGWSA-N 308.381 3.446 10 10 DGCE COc1cccc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)n1 1470055468 UYXRUKYAZMPTRP-UHFFFAOYSA-N 322.368 3.145 10 10 DGCE FC(F)(F)CSCCNCc1ccc2c(c1)CCCO2 1474070760 GDHCYSJRYCCMQF-UHFFFAOYSA-N 305.365 3.397 10 10 DGCE COc1cccc(CCNC(=O)c2ccc(CN=[N+]=[N-])o2)c1 1537963042 QKMQVVQOIRYPPU-UHFFFAOYSA-N 300.318 3.071 10 10 DGCE Cc1ccc2c(c1)[C@@H](NC(=O)c1c(F)ccc(O)c1O)CCC2 1611423958 MFYOJMMHJNHCMV-AWEZNQCLSA-N 315.344 3.353 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)NCc1cscc1Cl 1638456439 AYESSOQUASNXHB-DUXPYHPUSA-N 309.774 3.142 10 10 DGCE O=C(CCc1ccc2ccccc2n1)NCc1c(O)cccc1F 1646028354 GNYLPBHUEXLMKK-UHFFFAOYSA-N 324.355 3.329 10 10 DGCE COC(=O)c1cc(OCC[C@@H]2C[C@H]2C2CC2)ccc1N(C)C 1656826060 MMJIVULJNJAWBS-HIFRSBDPSA-N 303.402 3.354 10 10 DGCE COc1ccc(CNC2(C(=O)NCC(C)C)CCCC2)cc1C 1657654107 PEBSPQGHUAKYDP-UHFFFAOYSA-N 318.461 3.178 10 10 DGCE [N-]=[N+]=NCC1CCN(C(=O)c2cccnc2Br)CC1 1912211634 YVCAJXPXQUPTKA-UHFFFAOYSA-N 324.182 3.007 10 10 DGCE C[C@H](CO)[C@@](C)(NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1927333528 GTYKPOXXIXWVSL-FZKQIMNGSA-N 322.449 3.121 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H]([C@@H](N)c2ccccc2O)CC1 1937299450 AFIITSBCVUEXBN-XJKSGUPXSA-N 320.433 3.429 10 10 DGCE N[C@@H]1C(=O)Nc2cc(N(Cc3ccccc3)CC3CCC3)ccc21 1946900377 UHEZDEHNMRPEHW-IBGZPJMESA-N 321.424 3.445 10 10 DGCE C[C@H]1CN(c2ccc([C@@H](C)N)cc2Br)C[C@@H]1F 1947332423 HZTNPZXGUGCKPY-SBMIAAHKSA-N 301.203 3.263 10 10 DGCE CN(CCN=[N+]=[N-])C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1962302592 ANSMBLHOPJRTQW-FUNVUKJBSA-N 309.414 3.159 10 10 DGCE COCCC1CC(NCc2ccc(Br)cc2O)C1 1967725540 RYYUFNKUMDOFRS-UHFFFAOYSA-N 314.223 3.059 10 10 DGCE CP(C)(=O)[C@H]1CCCN(Cc2cc(F)cc(F)c2O)C1 1967880971 CNKJIZGIDAFZRU-LBPRGKRZSA-N 303.289 3.258 10 10 DGCE CC(C)(CCCNCc1ccc(N)cc1)NC(=O)OC(C)(C)C 1984441438 YVZZGFANCWXQQJ-UHFFFAOYSA-N 321.465 3.442 10 10 DGCE CC(C)(C)OC(=O)Nc1cc(F)cc(C(=O)NCCN=[N+]=[N-])c1 1985094262 MHCFLYBEGFWHPP-UHFFFAOYSA-N 323.328 3.213 10 10 DGCE C[C@@H](NC[C@@]1(Br)CC1(F)F)c1ccccc1O 2023779882 QUSQOXVAVVGEHX-KCJUWKMLSA-N 306.150 3.216 10 10 DGCE COc1cc(Br)ccc1[C@@H](N)c1ccccc1O 2029560084 RVPVJMGPZDUBTO-AWEZNQCLSA-N 308.175 3.211 10 10 DGCE C[C@@H](N)c1ccc(N2CC3CC(F)(C3)C2)c(Br)c1 2045324683 XZHZXPOUYKCESH-NAUIOFCNSA-N 313.214 3.407 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@@](C)(F)[C@](C)(Br)C2)cc1 2084856075 LIPTXZMBWVWICF-LERXQTSPSA-N 315.230 3.408 10 10 DGCE CCN[C@@H](C)c1cnc(Sc2nc(C)c3n2CCC3)s1 2176933558 QLYKOXGXYMQFCL-JTQLQIEISA-N 308.476 3.416 10 10 DGCE CCC[C@H]1C[C@H](N(C)c2cc(Cl)c(CN)cc2F)CO1 2185706511 QNUZHIHMKJKARV-RYUDHWBXSA-N 300.805 3.332 10 10 DGCE CSc1ncc(CNc2c(F)cc(C(=O)O)cc2F)s1 2284535452 ALTGTYQYBUJIFH-UHFFFAOYSA-N 316.354 3.454 10 10 DGCE CN(C(=O)C=Cc1ccc(O)c(O)c1)[C@H]1CCc2ccccc2C1 2307987067 ABTMRDKXSZZKOB-KRWDZBQOSA-N 323.392 3.127 10 10 DGCE CC(=O)c1cc(Cl)cc(CN(C)[C@@H]2CCN(C)[C@H](C)C2)c1O 177291942 WJMJADUDRHCCAF-IAQYHMDHSA-N 324.852 3.163 10 10 DGCE CN(Cc1ccccc1O)C(=O)[C@H]1C[C@H]1c1c(F)cccc1F 116443164 GCRYKMFFQJDCCN-OLZOCXBDSA-N 317.335 3.433 10 10 DGCE CN(Cc1ccccc1O)C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F 175507184 WAMWPYAJUJXZTO-HIFRSBDPSA-N 317.335 3.433 10 10 DGCE CC1=NN(c2nc(C)cc(C)n2)C(=O)/C1=C\Nc1ccc(C)cc1 111265468 LNHVZTBJGVLTOB-YBEGLDIGSA-N 321.384 3.120 10 10 DGCE CN[C@@H](C)c1ccc(N2CC[C@@H](N3CCCC3)C2)c(Cl)c1 220574901 KAWKDCACHNNPLC-DZGCQCFKSA-N 307.869 3.295 10 10 DGCE COc1ccccc1CCNC(=O)c1ccc(CN=[N+]=[N-])o1 1537963072 SFUADFHTNPWQPK-UHFFFAOYSA-N 300.318 3.071 10 10 DGCE CCOC(=O)[C@H]1Nc2c(Cl)ccc(C(=O)O)c2[C@H]2C=CC[C@@H]12 4829045 DXRRYTCUQOXXIL-RWEMILLDSA-N 321.760 3.055 10 10 DGCE CCN[C@@H](C)c1ccc(N2CCOC[C@H](F)C2)cc1Cl 2361817139 ZNLWSKRGMPUBCY-NWDGAFQWSA-N 300.805 3.185 10 10 DGCE Oc1ccccc1CNC[C@H]1CCCN(Cc2ccccc2)C1 380915707 RTUVJVJBYQVQAH-GOSISDBHSA-N 310.441 3.394 10 10 DGCE C[C@H](C[S@](C)=O)N[C@H](C)c1ccc(N2CCCCCC2)cc1 248507041 XEGFMPQYYNKISI-MCFFVMPBSA-N 322.518 3.485 10 10 DGCE CCN(C)c1ccc([C@H](C)N[C@@H]2Cc3ccccc3[C@H]2O)cc1 247126104 APFGAUWTOHXDKY-VHKYSDTDSA-N 310.441 3.452 10 10 DGCE c1cc(N2CCCCC2)ccc1CN1CCC12CCOCC2 370083095 PKRGCGNWIHKFRT-UHFFFAOYSA-N 300.446 3.432 10 10 DGCE O=C(Nc1c(-c2ccccn2)nc2ccccn12)C1(CCF)CC1 291270350 DXRTVNLBFGUFMX-UHFFFAOYSA-N 324.359 3.475 10 10 DGCE Cc1cc(Cl)cc(CNCc2ccc([S@@](C)=O)cc2)c1O 809793711 LOYOBRHNJZGURU-OAQYLSRUSA-N 323.845 3.381 10 10 DGCE CC[C@H](N[C@@H](CCOC)COC)c1cccc(Cl)c1O 810258000 XUZVCHHPLSZKOC-FZMZJTMJSA-N 301.814 3.138 10 10 DGCE CC1(C)CN(Cc2cc3c(cc2O)CCC3)[C@@H]1[C@H]1CCCO1 811778265 LDVMLJAVNVRNMM-QZTJIDSGSA-N 301.430 3.270 10 10 DGCE O=C(Nc1cccc(N2CCCC2)c1)c1cccc2oc(O)nc12 813398484 ZJIMPUIVZYZNRY-UHFFFAOYSA-N 323.352 3.386 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)/C=C/C1(C)CCOCC1 825981386 UDNHRZCOEDCEOK-BQYQJAHWSA-N 316.445 3.050 10 10 DGCE Cc1ccc(O)c(CN[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c1 721884330 UQQMUHTXCPEKRV-HIFRSBDPSA-N 320.433 3.046 10 10 DGCE COc1cccc(O)c1CN[C@H](c1ccccc1)[C@@H](O)C(C)C 827526139 HKXBEHODUBRKQR-MOPGFXCFSA-N 315.413 3.249 10 10 DGCE C[C@@H](N[C@H](CO)CCc1ccccc1)c1cc(F)cc(F)c1O 903288538 CUOBGAGPDSYWJP-DOMZBBRYSA-N 321.367 3.315 10 10 DGCE C[C@@H](N[C@H]1CCc2cccc(O)c21)c1ccc(-n2ccnn2)cc1 834694167 UWEFRJLHFYNUPF-DYVFJYSZSA-N 320.396 3.311 10 10 DGCE Cc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)c(F)c1 749352238 PMNOBXUZIAAORE-UHFFFAOYSA-N 314.360 3.223 10 10 DGCE O=C(NCc1ccc(-c2cccnc2)cc1)c1cc(O)cs1 743810360 VYCSXMHXELVZKH-UHFFFAOYSA-N 310.378 3.446 10 10 DGCE CCCN(CCC)c1ccc(CN(C)C2CCNCC2)cc1 843046137 OGOYDGQGZZPAQT-UHFFFAOYSA-N 303.494 3.497 10 10 DGCE c1ccc(-n2cc(CNCc3ccc4c(c3)CCCO4)cn2)cc1 921516624 CYCFAJSYLPLCGG-UHFFFAOYSA-N 319.408 3.487 10 10 DGCE C[C@@H](O)[C@@H](NCc1cc(F)c(N(C)C)cc1F)c1ccccc1 858196411 ONZMSEZBEAPGAT-KZULUSFZSA-N 320.383 3.243 10 10 DGCE C[C@H](O)[C@H](NC/C=C\c1ccc(N(C)C)cc1)c1ccccc1 850419855 HZKXGZLGJDRDLA-QNAMOWSRSA-N 310.441 3.478 10 10 DGCE CCOc1ccc(CNCC[C@H]2CC2(Cl)Cl)c(O)c1 856806830 JIUDTVRQUVMLTP-NSHDSACASA-N 304.217 3.464 10 10 DGCE OC1CCN(c2ccc(CN[C@@H]3CCCSCC3)cc2)CC1 850568870 LTWCEOMYPRTIIW-MRXNPFEDSA-N 320.502 3.023 10 10 DGCE CN(Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCN(C2CC2)C1 769325900 CNPYXMDUKJXEBE-HXUWFJFHSA-N 313.489 3.345 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)NC1CC2(C1)CC2(F)F 1118519853 BRTXHZZVYWOFSP-UHFFFAOYSA-N 323.387 3.082 10 10 DGCE c1cc(N2CCCC2)ccc1CN1CCCC[C@H]1[C@@H]1CCNC1 1118016084 TURIBAFLHHTUCO-QUCCMNQESA-N 313.489 3.251 10 10 DGCE Nc1ccc(Cc2noc(C3([C@H]4CCCCO4)CCC3)n2)cc1 872171246 QAXHBISFQRKBJT-OAHLLOKOSA-N 313.401 3.233 10 10 DGCE CCN(CC)c1ccc(CN(C)Cc2nnc(C)s2)cc1 773409664 OFTNCKPWFLLYRL-UHFFFAOYSA-N 304.463 3.325 10 10 DGCE C[C@@H](CC(C)(C)C)C(=O)NCc1ccc(N2CCOCC2)cc1 772348107 BIWGQQUPMJRWJV-HNNXBMFYSA-N 318.461 3.212 10 10 DGCE COc1ccc(O)c(CN[C@@]2(CO)C[C@@H](C)CC(C)(C)C2)c1 777484119 JPSKMQIHEJJXAQ-UGSOOPFHSA-N 307.434 3.068 10 10 DGCE C[C@H](N[C@H]1CCCN(C)C1)c1cc(Cl)c(Cl)cc1O 774137139 VUIONIRYMVFXOT-UWVGGRQHSA-N 303.233 3.444 10 10 DGCE O=C(NCc1ccc(N2CCSCC2)cc1)C1(C2CC2)CC1 895773041 XVDBMGRVCGDSKG-UHFFFAOYSA-N 316.470 3.046 10 10 DGCE CC(C)(C)OC(=O)N1CCN(CCCCN=[N+]=[N-])[C@H]2CC[C@H]21 1962288441 WGRYYJLKXLQWON-QWHCGFSZSA-N 309.414 3.161 10 10 DGCE CN(CCN=[N+]=[N-])C1(CNC(=O)OC(C)(C)C)CCCCC1 1962301854 WYFPNSOOMJFATC-UHFFFAOYSA-N 311.430 3.456 10 10 DGCE CC(C)(C)OC(=O)N1CCN(CCN=[N+]=[N-])[C@](C)(C2CC2)C1 1962303172 DYXPTCKOJPPWND-HNNXBMFYSA-N 309.414 3.018 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCN1CCN=[N+]=[N-] 1962302788 CDNWUZVKOVPXLO-OLZOCXBDSA-N 309.414 3.161 10 10 DGCE C[C@H](CC(=O)Nc1c(Cl)ccc2nonc12)[C@H]1CCCO1 1328696916 HSLWVMADLAFPSN-LDYMZIIASA-N 309.753 3.020 10 10 DGCE C[C@@H](NCc1c(O)cccc1Br)[C@@H]1CCCCO1 706821755 OKMRWYNJGYBZFL-YGRLFVJLSA-N 314.223 3.202 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@@H]3[C@@H](C2)C3(F)F)cc1Br 715519758 COBWCZFMOIYXTD-AVPPRXQKSA-N 318.161 3.204 10 10 DGCE C=C/C=C/CCNC(=O)NCc1c(O)ccc2c1CCCC2 1254871974 NGTYETRLGOFSGT-ONEGZZNKSA-N 300.402 3.203 10 10 DGCE CCN(Cc1occc1C)C(=O)/C=C\c1ccc(O)c(O)c1 1451629575 DFENQUWCOZTVEW-ALCCZGGFSA-N 301.342 3.061 10 10 DGCE C[C@@H](NCc1ncccc1Br)c1ccccc1O 1460637516 NBYUCGXQTNWVBO-SNVBAGLBSA-N 307.191 3.401 10 10 DGCE CN(c1ccc(CNC(=O)[C@@H]2C[C@@H]2F)cc1)C1CCCCC1 1464544275 XIBPVAZTUURLPN-SJORKVTESA-N 304.409 3.430 10 10 DGCE CCN[C@]1(CO)C[C@H](CC)C[C@@H](Sc2nccs2)C1 2118791893 WNRYEBAOJDFLHC-YRGRVCCFSA-N 300.493 3.155 10 10 DGCE CCCC(=O)N[C@@H]1CC[C@H](CNCc2ccc(OC)c(C)c2)C1 1486189982 FOTIVJGYBFMZGV-DLBZAZTESA-N 318.461 3.178 10 10 DGCE COc1ccc(CN[C@@H](CNC(=O)C(C)(C)C)C2CC2)cc1C 1480057417 JPVCHNJOLXSXDG-INIZCTEOSA-N 318.461 3.034 10 10 DGCE O=C1/C(=C\c2ccccn2)SC(=S)N1c1cccc(O)c1 1238007 FIMNIBCMTUTOPB-MDWZMJQESA-N 314.391 3.193 10 10 DGCE Cc1cc(CN(C)C[C@]23CCC[C@H]2OCC3)ccc1N(C)C 1560235750 UNZYLSHVUDKVAY-RTBURBONSA-N 302.462 3.452 10 10 DGCE C[C@H](C(=O)NCc1cc(O)ccc1O)c1ccc(Cl)cc1 1633598894 GONGDVYWJXMXNW-JTQLQIEISA-N 305.761 3.171 10 10 DGCE CC(C)Oc1cc(F)ccc1NC(=O)c1cccc(O)c1O 1637461073 TYJIYMCABSNTCQ-UHFFFAOYSA-N 305.305 3.276 10 10 DGCE C[C@@H](NC(=O)c1ccn(-c2ccccc2)n1)c1ccccc1O 1587445036 SDKPYLNMDGHUBG-CYBMUJFWSA-N 307.353 3.069 10 10 DGCE Nc1ccc(NC(=O)c2cccc(-c3noc(C4CC4)n3)c2)cc1 160389615 JKKCRCWTNTYGNP-UHFFFAOYSA-N 320.352 3.449 10 10 DGCE Cc1nc2ccccn2c1/C=C1/SC(=S)N(C2CC2)C1=O 1858591728 XGLFMAOPQXODBB-XYOKQWHBSA-N 315.423 3.006 10 10 DGCE CCCN1N=C(c2ccc(OC)cc2)/C(=C\c2ccco2)C1=O 1865671635 LZBJHXYYIKAQFH-FOWTUZBSSA-N 310.353 3.328 10 10 DGCE Cc1oc(Br)cc1C(=O)N1CC[C@H](CN=[N+]=[N-])C1 1912204737 LCYAZUAAUXPQJD-MRVPVSSYSA-N 313.155 3.123 10 10 DGCE CC(C)(C)OC(=O)N[C@H]([C@@H](N)c1ccccc1O)C1(C)CC1 1930444375 MDBPJBCDTLFZDI-UONOGXRCSA-N 306.406 3.085 10 10 DGCE CCN[C@H](C)c1ccc(N(C)CC(F)(F)CO)cc1Cl 2150989689 KKPAGYOTFILERW-SNVBAGLBSA-N 306.784 3.074 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H]1CN(CCN=[N+]=[N-])CC1CC1 1982242757 QZXOJVRWEXLIEM-AWEZNQCLSA-N 323.441 3.408 10 10 DGCE Nc1ccc(N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C(F)F)cc1 1989883846 LQRXYOGAOPRXSA-DLBZAZTESA-N 317.383 3.446 10 10 DGCE C[C@@H](CO)N(Cc1ccccc1)c1c(F)cc([C@@H](C)O)cc1F 1990407507 STMBLVSOQFVFKW-QWHCGFSZSA-N 321.367 3.406 10 10 DGCE C[C@H](N)c1cc(F)c(N(Cc2ccccc2)[C@@H](C)CO)c(F)c1 1990445454 TUMLQWDAMOOCBC-STQMWFEESA-N 320.383 3.372 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1NCc1ccc(F)cc1O 1994521112 SUUMOCAKANEWOP-UONOGXRCSA-N 324.396 3.067 10 10 DGCE OC[C@H](C1CC1)N(Cc1ccccc1)c1ccc2c(c1)CC[C@H]2O 2012706272 AKFNBFLRWKDOMS-NHCUHLMSSA-N 323.436 3.444 10 10 DGCE Oc1cc(Cl)ccc1CNCC1CCC2(CC1)OCCO2 2030315958 IRWVIQAPVRZGPO-UHFFFAOYSA-N 311.809 3.069 10 10 DGCE CNCc1cc(F)c(N2CCC[C@@H](SC)CC2)c(F)c1 312676497 YPSRHBPEWLMVGA-GFCCVEGCSA-N 300.418 3.406 10 10 DGCE CN[C@H](C)c1cnc(Sc2ccc3c(c2)OCCO3)s1 2159808636 CUFAVYCDUSFFMQ-SECBINFHSA-N 308.428 3.346 10 10 DGCE CC(C)[C@H]1C[C@H](N(C)c2cc(Cl)c(CN)cc2F)CO1 2177382475 AOOCBNQCLFVTOU-XHDPSFHLSA-N 300.805 3.188 10 10 DGCE Cc1c(CNC[C@@H](C)CC2(C)OCCO2)n(C)c2ccccc12 716019933 FAWYEEOHLKRMMN-AWEZNQCLSA-N 316.445 3.366 10 10 DGCE Cc1ccc(Cn2nc(Cl)c(N)c2C(F)(F)F)c(O)c1 2079196870 MDCWRSARCSMLES-UHFFFAOYSA-N 305.687 3.200 10 10 DGCE CCOC(=O)NC(=O)C(N=Nc1ccc(Cl)cc1)=C(C)O 2080534693 SBSJWJUHJZRFQW-UHFFFAOYSA-N 311.725 3.486 10 10 DGCE CCNCc1ccc(N2C[C@@H](F)C[C@H]2C)c(Br)c1 2042209190 SYHDFCMILGMUMH-PWSUYJOCSA-N 315.230 3.495 10 10 DGCE CO[C@]1(CN(C)c2ccc([C@H](C)N)c(Cl)c2)CCSC1 2186278635 TVKPCGHGWNQTLD-NHYWBVRUSA-N 314.882 3.318 10 10 DGCE CO[C@H](CN(C)c1ccc(CN)c(Br)c1)C(C)C 2068259684 MRSKLJGUQOXRFF-CQSZACIVSA-N 315.255 3.015 10 10 DGCE COc1ccc(Br)c(CN[C@H](C)C2CCC2)c1O 2220462372 KOGIGQSKOBJKQX-SECBINFHSA-N 314.223 3.442 10 10 DGCE Cc1ccccc1N=Nc1c(C(=O)O)nc2c(CO)cccn12 2295926730 VNIMVUZGIQQXGK-UHFFFAOYSA-N 310.313 3.249 10 10 DGCE CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ccccn1 2297512495 NRJATFIOZGMZDZ-UHFFFAOYSA-N 306.369 3.417 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)N1CCC[C@H]2CCCC[C@H]21 2307987518 NRCLHUWCRNHVPV-HUUCEWRRSA-N 301.386 3.292 10 10 DGCE COC(=O)Cc1nc2c(O)cccn2c1N=Nc1cccc(C)c1 2320774020 ADLBFNLWIRXZSJ-UHFFFAOYSA-N 324.340 3.479 10 10 DGCE Oc1cccc(Br)c1CN1CC[C@](F)(C(F)F)C1 2315877828 MKUPQLAELFOGRX-GFCCVEGCSA-N 324.140 3.334 10 10 DGCE CCOC(=O)[C@H]1CCCN(N=Nc2ccc(OCC)cc2)C1 2330164880 QLYCFUCPRJNNAU-ZDUSSCGKSA-N 305.378 3.359 10 10 DGCE CCN(Cc1ccc(C)c(Br)c1O)CC(C)(C)O 2327627226 ANYKVPKXHZJOEB-UHFFFAOYSA-N 316.239 3.056 10 10 DGCE C[C@@H](N[C@@H](CC(=O)O)c1cccs1)c1ccc(F)cc1O 62747415 YWFKOKZJJMWMEO-SKDRFNHKSA-N 309.362 3.459 10 10 DGCE OCCN1CC[C@@H](CNc2ccc(Nc3ccccc3)cc2)C1 76470010 NYMQZJAVAICUTE-INIZCTEOSA-N 311.429 3.156 10 10 DGCE c1ccc(CN[C@@H]2CCCN(c3ccc4c(c3)OCO4)C2)cc1 108054226 DRGPAVWIQFPXSY-MRXNPFEDSA-N 310.397 3.174 10 10 DGCE C[C@@H](c1ccccc1O)N(C)C(=O)c1c(N)cccc1Cl 111010991 PIDQWJMRLCXKBM-JTQLQIEISA-N 304.777 3.461 10 10 DGCE CCCCOCCN[C@H](C)c1ccc(N2CCC(O)CC2)cc1 119568861 AVEOVCHZYNSUTO-MRXNPFEDSA-N 320.477 3.115 10 10 DGCE Oc1ccccc1CN[C@H](c1ccc(Cl)cc1)c1ncon1 122658301 UQPOONZMCREKIZ-OAHLLOKOSA-N 315.760 3.308 10 10 DGCE O=C1NC(=S)S/C1=C/c1ccc(-c2ccncc2)cc1F 129688023 VTTCWHLMXIMRPV-MDWZMJQESA-N 316.382 3.377 10 10 DGCE C[C@@H](c1cc(Br)ccc1O)N1CCOCC1(C)C 133545916 WRYWQAFGXWNYHZ-JTQLQIEISA-N 314.223 3.327 10 10 DGCE CC1(C)CCCN(C(=O)NCCCSc2nccs2)C1 154654831 SZKAJKCJDSEBBZ-UHFFFAOYSA-N 313.492 3.457 10 10 DGCE C[C@H](N)c1ccc(N(C)[C@H]2CCO[C@@H]2C)c(Br)c1 159720057 ZSPCVNMAFNBCTQ-CWSCBRNRSA-N 313.239 3.082 10 10 DGCE C[C@H](N)c1ccc(N2CC[C@]3(O)CCCC[C@@H]3C2)c(Cl)c1 160492317 QCYSPHKLACSKSJ-DXCKQFNASA-N 308.853 3.491 10 10 DGCE CC(C)CNCc1ccc(N(C)CCCN(C)C)c(Cl)c1 164083657 BDEKLZHIHLMBRX-UHFFFAOYSA-N 311.901 3.474 10 10 DGCE CCNCc1ccc(N2CCCOCC2)cc1C(F)(F)F 167377481 LNKMJVSJALNFFY-UHFFFAOYSA-N 302.340 3.042 10 10 DGCE C[C@@H](NC1CCN(C(=O)c2ccccc2)CC1)c1ccccc1O 183455472 GTCRHFJINJXJFT-OAHLLOKOSA-N 324.424 3.348 10 10 DGCE CC(C)N1[C@H]2CC[C@H]1CN(Cc1ccc(N(C)C)cc1)CC2 245707607 FJWOMJKMMAMNMR-OALUTQOASA-N 301.478 3.200 10 10 DGCE COc1cccc(CN2C[C@@H](C)O[C@H](c3ccsc3)C2)c1O 245755908 OPUDFSHLPALCOE-WBMJQRKESA-N 319.426 3.424 10 10 DGCE Cc1ccc([C@H](C)N[C@H]2CCO[C@@]3(CCSC3)C2)c(O)c1 248532166 YHTOZPGJOFFGBG-ZQIUZPCESA-N 307.459 3.406 10 10 DGCE C[C@H]1[C@H](C(=O)O)CCCN1Cc1cc(Cl)cc(Cl)c1O 384248270 LATTVRGCQQTFDF-GZMMTYOYSA-N 318.200 3.384 10 10 DGCE C[C@@H](N)c1ccc(N2CCO[C@H](C(F)F)CC2)c(Cl)c1 687573099 XVFBUXQVAMGFHY-RNCFNFMXSA-N 304.768 3.220 10 10 DGCE [N-]=[N+]=NCCCN[C@H](C(=O)O)c1c(F)ccc(F)c1Cl 705556276 UCRWUIPAQGHVHL-JTQLQIEISA-N 304.684 3.034 10 10 DGCE CC[C@H]1C[C@@H]1CNCc1cc(Br)cc(F)c1O 715829927 UTWAJKBHPBDRDO-DTWKUNHWSA-N 302.187 3.430 10 10 DGCE C[C@@H](NC[C@H]1CCN1Cc1ccccc1)c1c(O)cccc1O 716297541 IHDYUPYJIAGIQN-GDBMZVCRSA-N 312.413 3.023 10 10 DGCE C[C@@H]1C[C@@H]1CNC(=O)N(Cc1ccco1)Cc1ccccc1O 726100832 XPALTPOXEBTEGC-UKRRQHHQSA-N 314.385 3.353 10 10 DGCE CO[C@H](C)[C@H](C)NC(=O)c1sccc1-n1c(C)ccc1C 787412653 JVYLYUMSTRRNPU-QWHCGFSZSA-N 306.431 3.309 10 10 DGCE COc1cc(CN2CC[C@H](C(F)(F)F)[C@H]2C)c(O)cc1C 794650778 MSGCFZXDAVAFDS-PWSUYJOCSA-N 303.324 3.482 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)/C=C/COc1ccccc1 816822260 FPKSOLYPYOKZSK-JXMROGBWSA-N 324.424 3.346 10 10 DGCE C[C@H]1Oc2ccc(Cl)cc2N(OCc2ccc(N)cc2)C1=O 821298216 WEAHQJFXSYJMHH-SNVBAGLBSA-N 318.760 3.168 10 10 DGCE C[C@@H](NC(=O)c1cncc(Cl)c1)c1ccc(N(C)C)cc1 828860713 FXBHMIICRXVAIZ-LLVKDONJSA-N 303.793 3.292 10 10 DGCE Cc1cc(C(=O)CN2C[C@@H](C)[C@H]2C)c(C)n1-c1ccc(F)cn1 830027957 CRGQEIXIIMDCOA-DGCLKSJQSA-N 315.392 3.151 10 10 DGCE CC(C)[C@@H](CC(F)(F)F)NC(=O)NCCc1ccc(N)cc1 841886131 YKWLRKIVPVYPQN-CYBMUJFWSA-N 317.355 3.088 10 10 DGCE CCOc1cccc(CN2CCC[C@H](C3CCNCC3)C2)c1O 849350167 LLKMFBZNPFWHRK-INIZCTEOSA-N 318.461 3.003 10 10 DGCE CCN(CC)c1ccc(CN[C@H]2COC3(CCC3)C2)cc1F 850368128 UVCPRGGFMNBGSP-OAHLLOKOSA-N 306.425 3.473 10 10 DGCE C[C@@H](NCC12CC(CN1)C2)c1ccc(Cl)c(Cl)c1O 854225963 CBXKCCLZNGHAJM-NQTXRORDSA-N 301.217 3.102 10 10 DGCE C[C@@H](NCc1ccc(C2(C)OCCO2)cc1)c1ccccc1O 866422214 LKAMVYGYDGVVBX-CQSZACIVSA-N 313.397 3.463 10 10 DGCE CC(=O)c1cc(Cl)cc(CN[C@H]2CCCn3nccc32)c1O 879786145 DBGOAOKLAMTTBN-AWEZNQCLSA-N 319.792 3.069 10 10 DGCE CCOc1cccc(CN2CC[C@@H](c3nccs3)C2)c1O 895585081 VPJSPBVHJSYJHC-CYBMUJFWSA-N 304.415 3.237 10 10 DGCE COc1cc(O)ccc1NS(=O)(=O)c1cccc(C(C)C)c1 901703510 HAKNLECNCJPLQA-UHFFFAOYSA-N 321.398 3.325 10 10 DGCE Cc1cc(CO)cc(C)c1CN[C@@H](C)c1cc(F)ccc1O 903304012 YFLUNIVHNIDSJA-ZDUSSCGKSA-N 303.377 3.491 10 10 DGCE C[C@@H](O)[C@H](NCc1ccc2c(c1)CCCO2)c1ccccc1F 922215341 GJAIIEWICXEGKX-YJYMSZOUSA-N 315.388 3.362 10 10 DGCE CCN(C)c1ccc([C@@H](C)NC[C@@H]2CNCCC2(F)F)cc1 925779997 DDGXGXMXQBJNHJ-HIFRSBDPSA-N 311.420 3.038 10 10 DGCE O=C(Nc1ccc(O[C@@H]2CC2(F)F)cc1)c1cccc(O)c1O 1167415850 CCRCZUNCFCPHDO-CYBMUJFWSA-N 321.279 3.137 10 10 DGCE C[C@@H]1CCN(Cc2cc(Br)cc(F)c2O)C[C@H]1F 1235056820 HWZNXCXQSVXSED-PRHODGIISA-N 320.177 3.474 10 10 DGCE COc1ccc(N(C)C(=O)/C=C/c2cccnc2C)cc1OC 1264853079 RGGVJCKULWDQQC-JXMROGBWSA-N 312.369 3.083 10 10 DGCE Cc1ccc(C(=O)NCc2ccccc2O)cc1-c1cnn(C)c1 1294925042 LRAKEZSZOOJHGI-UHFFFAOYSA-N 321.380 3.031 10 10 DGCE Cc1ccc(O)c(CNC(=O)Cc2c[nH]c3cc(F)ccc23)c1 1301047261 UPSWPUPATLMAFF-UHFFFAOYSA-N 312.344 3.180 10 10 DGCE O=C(CCCCCO)N(Cc1ccco1)Cc1ccccc1O 1445639379 UOOHTGGILOCAND-UHFFFAOYSA-N 317.385 3.067 10 10 DGCE C[C@H]1Cc2cccc(C(=O)NCc3cc(Cl)ccc3O)c2O1 1452935883 MQHQQZRVRHMVHI-JTQLQIEISA-N 317.772 3.299 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)[C@H]1CCCN1C(C)C 1626161043 UZKKCDLDFGKXSJ-QGZVFWFLSA-N 318.461 3.394 10 10 DGCE CCCC[C@@H](O)CCC(=O)NCc1ccc2c(c1)CCCN2C 1626940867 OOZHANBBEMYYBR-QGZVFWFLSA-N 318.461 3.017 10 10 DGCE CCC(C)(CC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 1627463758 FGFFZEPWTQRXNV-KRWDZBQOSA-N 319.493 3.298 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1cc(C=O)ccc1F 1635663659 VJZGPEKHVNZPFH-UHFFFAOYSA-N 315.344 3.396 10 10 DGCE O=C(Cc1ccc2c(c1)CCCC2)NCc1c(O)cccc1F 1645045745 FWOBQFGBXMPFHR-UHFFFAOYSA-N 313.372 3.269 10 10 DGCE CC1(C)Cc2cc(NC(=O)c3c(F)ccc(O)c3O)ccc2O1 1650876531 KQGUJGVCKQWOPQ-UHFFFAOYSA-N 317.316 3.203 10 10 DGCE Nc1cccc(Br)c1N[C@H]1CCC2(CCNCC2)C1 1876314616 DGSBUCCHVRWOTP-NSHDSACASA-N 324.266 3.366 10 10 DGCE Nc1ccc(Oc2cc(C(=O)O)c(N)cc2Br)cc1 1905737330 BZWIBBHHFUPJFA-UHFFFAOYSA-N 323.146 3.104 10 10 DGCE Oc1cc(Br)ccc1CNCC(F)(F)C1CC1 1912545311 HOOYDWPFCYEKIF-UHFFFAOYSA-N 306.150 3.290 10 10 DGCE Oc1ccc(Br)cc1CN[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@@H]12 1917459679 RNOJMAXUNVQNNH-YRSIJOKUSA-N 308.219 3.289 10 10 DGCE CC(C)(C)OC(=O)N[C@@H](CCCC(=O)O)c1ccccc1O 1951652096 TUJKGSBDXUYWIO-LBPRGKRZSA-N 309.362 3.213 10 10 DGCE C[C@@]1(NCc2ccc(F)cc2O)CCN(Cc2ccccc2)C1 1964554824 PLTQJMGUVQFEMH-LJQANCHMSA-N 314.404 3.286 10 10 DGCE CC1(C)COCC[C@@H]1NCc1cccc(Br)c1O 1964601273 SANMFGOFGZFFNY-LBPRGKRZSA-N 314.223 3.059 10 10 DGCE CCc1cccc(CN[C@@H]2CCCC3(CC2)OCCO3)c1O 1967794673 RSIZGLUZIFDBIT-MRXNPFEDSA-N 305.418 3.120 10 10 DGCE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@](N)(c1ccccc1O)C2 1976473383 KSTHXACMJHCYFS-IVWMJMPLSA-N 318.417 3.108 10 10 DGCE C[C@@H]1[C@@H](NCc2c(O)cccc2F)CCN1Cc1ccccc1 1976877331 NERJTQWYXCAETI-KDOFPFPSSA-N 314.404 3.284 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](Nc3ccc(N)cc3)C[C@H]2C1 1977662412 IWRNJPJUYFYYHJ-VIKVFOODSA-N 317.433 3.326 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1CN(CCCN=[N+]=[N-])CC12CCC2 1982240970 FRJKQLDEHCNUTD-CYBMUJFWSA-N 323.441 3.314 10 10 DGCE CN1CCc2cc([C@@H](O)c3coc(Br)c3)ccc21 2044720793 XQDNONDAZMLNSM-CQSZACIVSA-N 308.175 3.116 10 10 DGCE Nc1ccc(OCC(=O)Nc2c(O)ccc3ccccc23)cc1 2060447512 YECXWHPMNAFNGI-UHFFFAOYSA-N 308.337 3.145 10 10 DGCE COc1ccc([C@@H](C)n2ncc(C3CCCC3)c2N)c(O)c1 2070217649 MXQQBEVXXIDIBR-LLVKDONJSA-N 301.390 3.446 10 10 DGCE CN(C)c1ccc(CNc2ncc(Br)cc2N)cc1 2104183351 OFKRMESPBFBVSR-UHFFFAOYSA-N 321.222 3.104 10 10 DGCE O=C(O)CC[C@@H]1CCN1Cc1cc(Cl)cc(Cl)c1O 2109430416 WYRCCFSSFCHKGF-SNVBAGLBSA-N 304.173 3.138 10 10 DGCE CCN1CCc2cc([C@H](NN)c3csc(Cl)c3)ccc21 2163131804 VHCTXIVRQDZZIZ-HNNXBMFYSA-N 307.850 3.337 10 10 DGCE COC[C@@H]1CCN(c2cc(Cl)c(CN)cc2F)C1(C)C 2236693516 IDQNXWJNMPZOBA-NSHDSACASA-N 300.805 3.189 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]([C@@H](N)c3ccccc3O)C[C@H]21 2244408013 WOXJCOJOWVFAPO-MEWXFMAXSA-N 318.417 3.038 10 10 DGCE Cc1ccc(CNCc2ccc(O)cc2O)cc1Br 2278637529 MYOMEYMSQGAMMD-UHFFFAOYSA-N 322.202 3.459 10 10 DGCE CSc1ncc(CNCc2cn(C)nc2C(C)(C)C)s1 2284687755 HTYXIHUZAHDHIL-UHFFFAOYSA-N 310.492 3.186 10 10 DGCE Cc1ccc(CNCc2cccn2C)c(O)c1Br 2327629660 DUQBTAPFXWLYBV-UHFFFAOYSA-N 309.207 3.091 10 10 DGCE CO[C@@H]1C[C@H]2C[C@H]1CN2Cc1cc(Cl)cc(Cl)c1O 2340770194 BZBVNXXBMQDWHW-RLCGTCKNSA-N 302.201 3.308 10 10 DGCE O=C1N=C(O)/C(=C/c2ccccc2)C(=O)N1c1ccc(F)cc1 59106157 PIUCAECRYSQGDS-UVTDQMKNSA-N 310.284 3.332 10 10 DGCE Cc1cc(C)c(O)c(CN2CC[C@@H](C(=O)OC(C)(C)C)C2)c1 178898199 FCDDHMOSZYWXDK-CQSZACIVSA-N 305.418 3.173 10 10 DGCE COCCNCc1ccc(N2C[C@H](C)S[C@@H](C)C2)cc1C 70384633 VIJIJTGIWSKFBD-GJZGRUSLSA-N 308.491 3.061 10 10 DGCE CC[C@H](c1cc(Br)ccc1O)N(C)CCCNC 124767830 UNEHSELZIBLTPA-CYBMUJFWSA-N 315.255 3.147 10 10 DGCE CCc1nc(CNc2ccccc2C(=O)c2ccccc2)no1 192587713 XERIZNRRFKAVCC-UHFFFAOYSA-N 307.353 3.475 10 10 DGCE CNCc1ccc(N2CCSC[C@H]2C)c(Br)c1 234371068 ZTEVQFYMIASGPD-SNVBAGLBSA-N 315.280 3.110 10 10 DGCE OC[C@@H]1C[C@H]2CC[C@H]1N2Cc1cc(-c2ccccc2)ccc1O 291008787 WRMHMZIZXGEFEP-IPMKNSEASA-N 309.409 3.404 10 10 DGCE Cc1c(C)n(C)c2ccc(OC(=O)[C@@H](C)c3ccnn3C)cc12 817760674 CSLQZQJFCYTLHU-LBPRGKRZSA-N 311.385 3.238 10 10 DGCE C[C@H](N[C@@H]1CCNC[C@H]1C)c1cccc(C(F)(F)F)c1O 817969926 IIMHSOVRTIMHRF-GBIKHYSHSA-N 302.340 3.060 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@@H]2CC[C@@H](OC)C2)cc1F 826941436 JHUDNLPNGBSWMC-HUUCEWRRSA-N 322.424 3.103 10 10 DGCE O=C(NCC1CC(c2ccccc2)C1)c1c(F)ccc(O)c1O 831438771 PZJVGPLZIYIUSO-UHFFFAOYSA-N 315.344 3.161 10 10 DGCE CN(C)c1ccc(/C=C\CN2CC=C(c3ccnn3C)CC2)cc1 835052872 QGNGWXHIZWDFGL-PLNGDYQASA-N 322.456 3.289 10 10 DGCE Cc1ccc(C(=O)N2CC(C)(C)c3ccc(F)cc32)c(O)c1O 846406726 QWLXHDMVHFINIC-UHFFFAOYSA-N 315.344 3.483 10 10 DGCE C/C(=C/c1ccccn1)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 846976985 HWTCSSXUOPIGMD-SEWDUPMJSA-N 309.413 3.428 10 10 DGCE C[C@H](NC[C@@H]1Cc2ccccc2CO1)c1ccc(F)cc1O 858453386 KQJQNBLVBZPOAE-LRDDRELGSA-N 301.361 3.323 10 10 DGCE COc1ccc(N2CC[C@@H](Nc3ccnc(Cl)c3)C2)cc1 853758376 DEMDBEBXOALVGB-CYBMUJFWSA-N 303.793 3.434 10 10 DGCE CN(Cc1ccc(N)cc1)[C@H]1CCCN(Cc2ccccc2)C1 388625695 OFSRFJOJTSWHIZ-FQEVSTJZSA-N 309.457 3.365 10 10 DGCE C[C@@H](CC(=O)NCc1ccc(N2CCCC2)cc1)C(F)(F)F 858453634 XWEABDCLMJTIOA-LBPRGKRZSA-N 314.351 3.492 10 10 DGCE Cc1ccncc1CCNCc1c(O)cccc1Br 858187108 CSLOSWLQOJILEP-UHFFFAOYSA-N 321.218 3.190 10 10 DGCE CCOc1ccc(O)c(CN[C@H](c2ccccc2)[C@@H](C)O)c1 850420597 PUCRBIPBKPZWFE-ACJLOTCBSA-N 301.386 3.003 10 10 DGCE CCO[C@H](CN[C@@H](C)c1ccc2ccccc2c1O)CN(C)C 926965053 ZWEGWFBGTHJFBH-GOEBONIOSA-N 316.445 3.163 10 10 DGCE O=C(/C=C\c1cnccn1)N1CC2(CCCC2)c2cccc(F)c21 762673872 SFIPNNWAYHGHBM-SREVYHEPSA-N 323.371 3.488 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)C1CC2(CSC2)C1 866598882 UHGIAZNNNXNQHU-UHFFFAOYSA-N 305.443 3.274 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@]12CCOC2 1117996856 GIBRIQUDSSNKRK-QGZVFWFLSA-N 316.426 3.161 10 10 DGCE CCC(C)(C)OCCNC(=O)c1cc2cc(O)c(O)cc2s1 897949409 VSXSHHHOEWPUSL-UHFFFAOYSA-N 323.414 3.248 10 10 DGCE Cc1cc(O)c(CN2CCO[C@@]3(CCCOC3)C2)cc1C(C)C 795636677 JNLUIXHAHIRMRE-IBGZPJMESA-N 319.445 3.205 10 10 DGCE CSc1cc(N(C)Cc2ccccc2O)nc(SC)n1 1307073124 PYWNEJLTZPEYMA-UHFFFAOYSA-N 307.444 3.262 10 10 DGCE C[C@@]1(CNCc2c(O)cccc2Br)CC1(F)F 706872917 UUTFSOPKHWGAKR-NSHDSACASA-N 306.150 3.290 10 10 DGCE C/C(=C/C(=O)N(C)c1nsc2ccccc12)c1cnccn1 1278800035 BLKQVEKNGHUESR-LUAWRHEFSA-N 310.382 3.153 10 10 DGCE CCn1cc(C(=O)NCc2cc(O)ccc2O)c2ccccc21 1455355547 CLDFNZCTOLBBIM-UHFFFAOYSA-N 310.353 3.002 10 10 DGCE CCn1ncc(Br)c1COCCc1ccc(N)cc1 2119731605 AZXSVFNNHXRMLI-UHFFFAOYSA-N 324.222 3.007 10 10 DGCE Cc1ccc(/C=C\C(=O)N(C)c2cccnc2N2CCCC2)cn1 1542558261 JBMJXGQTGXOFRO-KTKRTIGZSA-N 322.412 3.061 10 10 DGCE COc1ccc(CNC[C@@H](C)NC(=O)[C@H]2CCC2(C)C)cc1C 1497883609 KQMLLULFZBJKNJ-GDBMZVCRSA-N 318.461 3.034 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1C[C@H](C)C[C@H]1C 1636263937 VVNJWKJFQGEOSH-VNQPRFMTSA-N 317.477 3.432 10 10 DGCE Cc1ccccc1OCCCC(=O)NCc1c(O)cccc1F 1638858054 FQTPWMFQKDQTCN-UHFFFAOYSA-N 317.360 3.315 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)Nc1ccc[n+]([O-])c1 1642381398 CQJMLLMVSWUWSF-UHFFFAOYSA-N 313.382 3.041 10 10 DGCE Cc1ccc(C(=O)Nc2ccc(C(=O)C(C)C)cc2)c(O)c1O 1570908833 UGTUPFNUWFDVRQ-UHFFFAOYSA-N 313.353 3.497 10 10 DGCE O=C(NCc1c(O)cccc1F)N[C@H](CF)c1ccc(F)cc1 1687379878 BXAGZSSODABLEW-CQSZACIVSA-N 324.302 3.180 10 10 DGCE Oc1cccc(F)c1CNCc1cnc(C(F)(F)F)s1 1964576219 RJYVWMSXKQDWMA-UHFFFAOYSA-N 306.284 3.296 10 10 DGCE COc1cc(CN2CC[C@H]3CC[C@@H](C2)N3C(C)C)c(O)cc1C 160335639 VSHZYSIPNXCXCO-SJORKVTESA-N 318.461 3.156 10 10 DGCE OCCC[C@@H]1CCCN1c1ccc(CNC2CC2)cc1Cl 164050675 FHKLQCBXFTVVJV-HNNXBMFYSA-N 308.853 3.333 10 10 DGCE CCS(=O)(=O)c1ccc(NCc2cccc(C)c2O)cc1 164965791 XDZMXBBXBPDZSF-UHFFFAOYSA-N 305.399 3.106 10 10 DGCE CCCN1C(=O)C(O)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1872957236 YJPMGUXKZFPODM-UHFFFAOYSA-N 324.380 3.142 10 10 DGCE Cc1ccc(O)c(CNCCC(=O)N[C@@H](C)c2ccccc2)c1 1857862091 ZMTYUPJVZNJYGR-HNNXBMFYSA-N 312.413 3.058 10 10 DGCE CC1(NCc2cc(Cl)cc(Cl)c2O)CCC(O)CC1 1924738958 MBJQFBAJRJSZDY-UHFFFAOYSA-N 304.217 3.482 10 10 DGCE CC1(F)CCN(c2ccc(CO)cc2Br)CC1 1946951215 SSLSNRBLKRUSPO-UHFFFAOYSA-N 302.187 3.270 10 10 DGCE CNCc1ccc(N2CC[C@H]2C(F)F)cc1Br 2004453121 CZXBFPDDILSZIT-NSHDSACASA-N 305.166 3.012 10 10 DGCE COc1cccc(O)c1CNc1csnc1Br 1997932854 OJRXXNIRNBYIRE-UHFFFAOYSA-N 315.192 3.232 10 10 DGCE CC[C@H](C(F)F)N(C)c1ccc(CN)c(Br)c1 2009015324 PNXBZIRKIZSMKD-LLVKDONJSA-N 307.182 3.388 10 10 DGCE Oc1ccc(Br)cc1CNC[C@@H]1CCCCCO1 2035190054 SUJKFTDLLNYWGL-ZDUSSCGKSA-N 314.223 3.204 10 10 DGCE C[C@H]1CCC[C@@H](C)N1NCc1ccc(Br)cc1O 691478722 XLVYGDCZMKYVBM-PHIMTYICSA-N 313.239 3.422 10 10 DGCE Cc1c(CNC2CCC3(CC2)OCCO3)n(C)c2ccccc12 715729099 BGBMLKWORQUFGA-UHFFFAOYSA-N 314.429 3.262 10 10 DGCE CCNCc1ccc(N(CCOC)Cc2ccccc2)c(C#N)c1 384411082 WBVCVKLGUGHLTQ-UHFFFAOYSA-N 323.440 3.321 10 10 DGCE CO[C@@]1(C)CCCN(c2cc(Cl)c(CN)cc2F)CC1 2177387609 KRVHXDAQESQYAM-HNNXBMFYSA-N 300.805 3.333 10 10 DGCE CCN(c1cc(Cl)c(CN)cc1F)[C@H]1COC(C)(C)C1 2177384079 VDKCQNJBSPPKOZ-LLVKDONJSA-N 300.805 3.332 10 10 DGCE CN1CCCc2cc(CNCc3cc(Cl)ns3)ccc21 2167208360 UFKQMMXSZVQTCT-UHFFFAOYSA-N 307.850 3.469 10 10 DGCE C[C@@H](c1cc([N+](=O)[O-])ccc1O)n1ncc(-c2ccccc2)c1N 2070222886 BUZXWEATMCNJOL-NSHDSACASA-N 324.340 3.355 10 10 DGCE COc1cnn(Cc2cccc(C(F)(F)F)c2O)c1Cl 2070301653 ZMNVIFTWUKGWLM-UHFFFAOYSA-N 306.671 3.318 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CC[C@H]2NCCC[C@@H]2C1 1237384431 WSGOFQFLNHYSMB-QMTHXVAHSA-N 315.244 3.273 10 10 DGCE CCNCc1ccc(N2C[C@H](OC)C[C@@H]2CF)cc1Cl 2190232538 MYDABHUNLBAJSY-ZIAGYGMSSA-N 300.805 3.013 10 10 DGCE CN(Cc1cccc(Cl)c1O)CC(F)(F)[C@H]1CCOC1 2185333587 DDSIYFPKGPKJSJ-NSHDSACASA-N 305.752 3.149 10 10 DGCE CCOc1cccc(CN[C@@H]2CCC=C2Br)c1O 2076079825 SQAHJFZDFXXQLG-GFCCVEGCSA-N 312.207 3.322 10 10 DGCE C[C@@]12CC[C@H]1CN(c1cc(Br)c(CN)cc1F)C2 2086877105 JDNYNIWAHYIASI-HZMBPMFUSA-N 313.214 3.283 10 10 DGCE CCCNC1(CO)CCC(CSc2nccs2)CC1 2111493918 FFQRCFKWPBEDEO-UHFFFAOYSA-N 300.493 3.156 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1CN(c1ccc(N)cc1)C2 2210773006 QORADIYRZQXHLG-DVOMOZLQSA-N 317.433 3.008 10 10 DGCE CC[C@@H](C)N1C(=O)C(=Cc2ccc(O)c(OC)c2)SC1=S 2323675600 BGIWYTCZJAVBNY-SECBINFHSA-N 323.439 3.401 10 10 DGCE CN[C@H](C)c1ccc(N2C[C@H]3C=C[C@@H]2C3)c(Br)c1 2308764310 LWRINDFEPDRCDF-NTZNESFSSA-N 307.235 3.494 10 10 DGCE C[C@H]1C[C@@H]2CN(c3ccc(CN)c(Br)c3F)C[C@H]12 2312067745 KJXKBLFZNNMNOI-JMJZKYOTSA-N 313.214 3.139 10 10 DGCE COc1cncc(NCc2ccc(C)c(Br)c2O)c1 2352931577 AITOGRWPNAFBOF-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE COc1ccccc1/C=C1/SC(NC2CCCC2)=NC1=O 6584014 HZXKPQWULCOVLA-GXDHUFHOSA-N 302.399 3.198 10 10 DGCE CNC1C[C@@H]2CC[C@@H](C1)N2c1cc(Cl)c(OC)cc1OC 108033360 RZDCUOAIZNCBQC-RYUDHWBXSA-N 310.825 3.076 10 10 DGCE C[C@H](NC[C@H](c1cccs1)N(C)C)c1cc(O)ccc1O 21039203 HZHCNUWFVBZYGD-SMDDNHRTSA-N 306.431 3.113 10 10 DGCE COc1cc(I)cc2scc(O)c12 306688196 MNIFGSJWCCCEKO-UHFFFAOYSA-N 306.124 3.220 10 10 DGCE CCC(CC)c1cc(C(=O)NCc2cc(OC)ccc2O)on1 173579589 RYJWHTJDMKGJOS-UHFFFAOYSA-N 318.373 3.222 10 10 DGCE COc1cc(NCc2ccc(N3CCCCC3)cc2)nn1C 319880632 NZOSKZCSSSQADS-UHFFFAOYSA-N 300.406 3.031 10 10 DGCE Cc1nn(C)c(C)c1C[C@@H](C)N[C@H](C)c1ccc(F)cc1O 185559177 JOTMTHLCKODSCR-GHMZBOCLSA-N 305.397 3.163 10 10 DGCE CC[C@@H](CN[C@H](C)c1ccc(O)cc1O)NC(=O)OC(C)(C)C 227715487 BCRNNNDACSXKKO-NEPJUHHUSA-N 324.421 3.052 10 10 DGCE Cc1cccc(CN[C@@H](CNC(=O)OC(C)(C)C)C(C)C)c1O 227773636 PLHFIICNUACOGS-HNNXBMFYSA-N 322.449 3.340 10 10 DGCE CCCC[C@@H](N)c1cc(I)ccc1O 95780759 HWBRRVHHIDXPFK-SNVBAGLBSA-N 305.159 3.187 10 10 DGCE CCn1nc(C)c(Cl)c1C[C@@H](N)c1ccc(N(C)C)cc1 97276617 OCKXZVXNMWJHQQ-CQSZACIVSA-N 306.841 3.173 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)Nc1ccccc1C(F)(F)F 243155017 JORRAUXWDZZPPN-UHFFFAOYSA-N 311.259 3.298 10 10 DGCE CCN(C)c1ccc([C@H](C)NC2CCC(C(=O)NC)CC2)cc1 268809879 AROBXNGCRSMQLS-OOHWJJMZSA-N 317.477 3.098 10 10 DGCE O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCOCC1 377110133 ZDHMVDHNNCECAA-SECBINFHSA-N 318.200 3.132 10 10 DGCE CC[C@@H](NC[C@@H](O)Cc1ccccc1)c1ccc(F)cc1O 286239901 TYJUETSKFAEMJN-DOTOQJQBSA-N 303.377 3.176 10 10 DGCE CN(Cc1cc(Cl)c(F)cc1O)C1C[C@@H]2CC[C@H](C1)N2C 294797319 VSNTWGUQRRGNBP-FUNVUKJBSA-N 312.816 3.242 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNCCN1C[C@H]2CC[C@H]1C2 2164879293 BFYCUJSHRDLNOI-GWCFXTLKSA-N 315.244 3.273 10 10 DGCE C[C@@H]1SC[C@H]([C@@H](N)c2ccc3c(c2)CCN3C)S[C@H]1C 2163078638 JKLRUNGBNZCFIB-QMMBQJITSA-N 308.516 3.304 10 10 DGCE CCc1cccc(CNC[C@H]2CCN2C(=O)OC(C)(C)C)c1O 724926928 SGNBRIOQPJYICS-OAHLLOKOSA-N 320.433 3.054 10 10 DGCE Cc1ccc(O)c(CN[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C)c1 721884341 UQQMUHTXCPEKRV-ZFWWWQNUSA-N 320.433 3.046 10 10 DGCE Oc1ccc2c(c1)CN(Cc1cc(Cl)cc(F)c1O)CCO2 827658192 WLRWFQZOKSQZFN-UHFFFAOYSA-N 323.751 3.285 10 10 DGCE COc1ccc(O)c(CN[C@H](C)COc2c(F)cccc2F)c1 827098409 HLDAFKGZRFDMRT-LLVKDONJSA-N 323.339 3.236 10 10 DGCE Cc1ccc([C@H](C)NC(=O)/C=C\c2ccc(O)c(O)c2)cc1F 588407817 YYUZPIRLAULXIA-JECSTDCCSA-N 315.344 3.436 10 10 DGCE OC1CCN(c2ccc(CN[C@H]3C[C@@H]4CCC[C@@H]4C3)cc2)CC1 903056920 VJUCKWLXOIFPPB-BCDXTJNWSA-N 314.473 3.316 10 10 DGCE COC[C@@H](NC/C=C\c1ccc(N(C)C)cc1)c1ccco1 835043598 SOOMPSADASYBSF-XQDHMALISA-N 300.402 3.336 10 10 DGCE Cc1noc([C@@H]2CCCN2C/C=C\c2ccc(N(C)C)cc2)n1 835052913 IPMBFLWYSIOPJP-AATOQMJSSA-N 312.417 3.294 10 10 DGCE CN1CCC(CN(C)C/C=C/c2ccc(N(C)C)cc2)CC1 835029122 UYMNLQLMRQXDQJ-AATRIKPKSA-N 301.478 3.039 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)/C(F)=C(\C)C3CC3)C2)cc1 912292893 PYABIVVKOSHNDS-MTOJCTJASA-N 318.392 3.044 10 10 DGCE CCOc1ccc(CN[C@@H](c2ccccc2F)[C@@H](C)O)c(O)c1 846016913 KLAPLTPHOSVILZ-KZULUSFZSA-N 319.376 3.142 10 10 DGCE C[C@H]1c2ccccc2C[C@H]1NC(=O)NCc1c(O)cccc1F 923254408 PTHQOUMHBRBSQR-MEDUHNTESA-N 314.360 3.059 10 10 DGCE COC(=O)c1ccc(O)c([C@@H](C)NC[C@@H]2C[C@H]2C(F)(F)F)c1 926951405 QTJJYVSNKSQRMD-UBHAPETDSA-N 317.307 3.028 10 10 DGCE C[C@@H](NC(=O)Nc1ccnc(F)c1F)c1ccc(N(C)C)cc1 856909108 YQGWJKQRGURKGH-SNVBAGLBSA-N 320.343 3.309 10 10 DGCE Cc1ccc([C@@H](C)NC2CCN(C(=O)OC(C)C)CC2)c(O)c1 756708633 TVKJYOURVUNSLW-CQSZACIVSA-N 320.433 3.361 10 10 DGCE CCCCCc1cc(-c2nc(Cc3ccc(N)cc3)no2)n[nH]1 854133450 BUTMZBLRFJTWQB-UHFFFAOYSA-N 311.389 3.365 10 10 DGCE O=C(NCc1cccc(Cl)c1O)Nc1ccc2c(n1)CCC2 931674097 YOIODPRPSTWACR-UHFFFAOYSA-N 317.776 3.251 10 10 DGCE CN(C)c1ccc(CNC[C@@H]2CCC23CCOCC3)cc1F 865778050 FVVKVHHQJMRNIZ-HNNXBMFYSA-N 306.425 3.188 10 10 DGCE O=C1N=C(N2CCCCC2)S/C1=C/c1ccc(C(F)F)nc1 864364656 DXBMBVGQTLHIAU-XYOKQWHBSA-N 323.368 3.475 10 10 DGCE Cc1cccc(OCCC(=O)N2Cc3cccc(O)c3C2)c1C 871197960 BHLIXWOHUQLSFC-UHFFFAOYSA-N 311.381 3.320 10 10 DGCE O=C([C@H]1C[C@H]1c1cc(F)ccc1F)N1Cc2cccc(O)c2C1 871202477 IMYHXWHEODKGCG-JSGCOSHPSA-N 315.319 3.316 10 10 DGCE CCc1onc(C)c1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 775403109 GLUVBVKDEXHEIK-NSHDSACASA-N 301.390 3.102 10 10 DGCE NC[C@@H]1CCC2(CCC2)[C@@H]1Nc1c(N)cccc1Br 1876204394 WWIYVAQCLJDJGR-IINYFYTJSA-N 324.266 3.351 10 10 DGCE Cc1ccc(CC[C@@H](C)NC(=O)c2ccc(C)c(O)c2O)o1 780954017 LKOJEQRQHBMGLT-LLVKDONJSA-N 303.358 3.059 10 10 DGCE CSC[C@@H]1CCCN1C(=O)c1cc2cc(O)c(O)cc2s1 897049865 QUASGHLFBYTTCO-JTQLQIEISA-N 323.439 3.280 10 10 DGCE O=C(Nc1cc(-c2ccccc2F)on1)c1cccc(O)c1O 791045375 UAAPMGGRFOSFLQ-UHFFFAOYSA-N 314.272 3.144 10 10 DGCE Cc1ncsc1/C=C\C(=O)N1CCOc2c(F)cc(F)cc21 1130421491 XCWGAZFDEZACQZ-IHWYPQMZSA-N 322.336 3.169 10 10 DGCE COc1ccc(CNC(=O)c2ccc(F)c3occc23)c(O)c1 1155574558 LSLQCZSTUTYWBJ-UHFFFAOYSA-N 315.300 3.216 10 10 DGCE CC(C)c1ccc([C@H]2NC(=O)N(Cc3ccc(N)cc3)C2=O)cc1 57848755 QGXUPFOGHVBJFS-QGZVFWFLSA-N 323.396 3.185 10 10 DGCE CC(C)(C)OC(=O)N1CCC2(CCN(CCN=[N+]=[N-])CC2)C1 1962297873 BDAYZDZJSGDZOQ-UHFFFAOYSA-N 309.414 3.020 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCN(CCCN=[N+]=[N-])C(C)(C)C1 1962302564 AEBIXOBHQHWJIU-GFCCVEGCSA-N 311.430 3.455 10 10 DGCE CCOC(=O)[C@@H](NCCN=[N+]=[N-])c1cc2cscc2s1 703286848 RKBQNFONPOAUDN-NSHDSACASA-N 310.404 3.467 10 10 DGCE CCOc1cccc(/C=C\C(=O)NCc2ccc(N(C)C)cc2)c1 1348908571 CPXSMWUMGWDVTG-RAXLEYEMSA-N 324.424 3.481 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)c1ccc2[nH]ccc2c1 1451949036 GMXBBIMTTLHOQQ-UHFFFAOYSA-N 317.348 3.352 10 10 DGCE Cc1ccc(Cl)c2c1CCCN2C(=O)/C=C\c1cnn(C)c1 1528789820 MQVCSUIDOBLQAU-VURMDHGXSA-N 315.804 3.375 10 10 DGCE C[C@H](NC(=O)Cc1ccccc1OC(F)F)c1ccccc1O 1471194986 RRMKOFQMLCELAY-NSHDSACASA-N 321.323 3.414 10 10 DGCE COC(=O)c1cnc(Sc2ncnc3scc(C)c23)s1 1472791605 QJNDJTRHCVUCHR-UHFFFAOYSA-N 323.424 3.394 10 10 DGCE C[C@H](CCc1ccco1)NC(=O)c1ccc(N=NC(N)=O)cc1 1624367522 KKVDDUBGIDKSHX-LLVKDONJSA-N 314.345 3.193 10 10 DGCE CCN(CC)c1ccc(CNCCCOC)cc1OC(C)C 212134169 ASJGZDLZJDYMLE-UHFFFAOYSA-N 308.466 3.446 10 10 DGCE CC[C@H](Cc1ccccc1)N(C)C(=O)Cc1ccc(O)c(O)c1 1628927711 UBUDRVOVLGLLJC-MRXNPFEDSA-N 313.397 3.120 10 10 DGCE C/C(=C\C1CCC(C)CC1)C(=O)NCc1c(O)cccc1O 1639292410 ASKMSSKHPTZENX-JLHYYAGUSA-N 303.402 3.487 10 10 DGCE Cc1ccc2oc(C(=O)NCc3cccc(Cl)c3O)cc2n1 1653567269 RUNGJXOMGPJVFN-UHFFFAOYSA-N 316.744 3.425 10 10 DGCE Cc1ccc(Cl)c2c1N(C(=O)/C=C\c1cnn(C)c1)CCC2 1584450234 JWIKLKWUHBJXRB-VURMDHGXSA-N 315.804 3.375 10 10 DGCE CC[C@H]1COCCN(Cc2c(O)cccc2Br)C1 1964593478 GTFQWCXXZVRVKV-LLVKDONJSA-N 314.223 3.013 10 10 DGCE CC[C@@H](CNC(=O)CC1(C)CC1)NCc1ccc(OC)c(C)c1 1698607170 HGPYKNSQHATONS-INIZCTEOSA-N 318.461 3.178 10 10 DGCE CCCCOc1ccc(/N=N/N2CCC(C(N)=O)CC2)cc1 1860494672 DCICYTVLDDHFEF-VHEBQXMUSA-N 304.394 3.062 10 10 DGCE CC1=NN(Cc2ccc(C)cc2)C(=O)/C1=C/c1ccc(O)c(O)c1 1865650043 RWBFAHXNRCMOLO-CXUHLZMHSA-N 322.364 3.208 10 10 DGCE Nc1ccc(Oc2ccc(NC(=O)c3ccc(O)cn3)cc2)cc1 1865963561 WVSFDNLDFCCNQW-UHFFFAOYSA-N 321.336 3.414 10 10 DGCE Cc1c(Br)cnc(Nc2ccc(N)cc2)c1[N+](=O)[O-] 2128511259 GYDYEZJXYMLCBE-UHFFFAOYSA-N 323.150 3.387 10 10 DGCE C[C@@H]1[C@@H](CNCc2ccc(Br)cc2O)C1(F)F 1947969034 GEHUGIBEMYHIEC-GMSGAONNSA-N 306.150 3.146 10 10 DGCE CC(F)(F)C1(NCc2ccc(Br)cc2O)CC1 1948700247 CIZFDRDQHFALOY-UHFFFAOYSA-N 306.150 3.432 10 10 DGCE CC(=O)C(=O)c1cc([N+](=O)[O-])cc(NC(=O)OC(C)(C)C)c1C 1951524086 KAZCXTXWYRZWML-UHFFFAOYSA-N 322.317 3.022 10 10 DGCE CC[C@@H](NC(=O)OC(C)(C)C)[C@@](C)(O)c1ccc(N(C)C)cc1 1977958104 KXWHGPNFGYISET-QAPCUYQASA-N 322.449 3.263 10 10 DGCE CN[C@H](C)c1cc(F)c(N(CCO)Cc2ccccc2)c(F)c1 1990441458 BDNLMDJGVBLZAD-CYBMUJFWSA-N 320.383 3.244 10 10 DGCE CO[C@@H](C)CCN(C)Cc1c(O)cccc1Br 2009690680 VREXHAKOLLSZLM-JTQLQIEISA-N 302.212 3.012 10 10 DGCE Oc1cc(Cl)ccc1CNCc1cccc2nsnc12 2151629110 DNLMFLSLLXLLNT-UHFFFAOYSA-N 305.790 3.340 10 10 DGCE NCc1ccc(N2CCC[C@@H](C(F)F)C2)cc1Br 2032450521 UXTNLQZJBUIDAQ-SNVBAGLBSA-N 319.193 3.389 10 10 DGCE CNCc1cc(F)c(N(C)[C@H]2CC[C@@H](C)SC2)c(F)c1 689581382 AQTFLZJCIJRKDL-PWSUYJOCSA-N 300.418 3.405 10 10 DGCE CCc1nn([C@H](c2ccc(C)cc2O)C2CCC2)c(N)c1C=O 2079127877 WBSYCCOMMBMUJL-KRWDZBQOSA-N 313.401 3.244 10 10 DGCE CCC[C@H]1COCCN1Cc1ccc(Br)cc1O 2050897297 IJMYVACWPUEUDO-ZDUSSCGKSA-N 314.223 3.156 10 10 DGCE CO[C@@H]1CC[C@H](CNCc2cccc(Br)c2O)C1 2054478820 OGPXZDSFBMNKTB-CMPLNLGQSA-N 314.223 3.059 10 10 DGCE C[C@H]1CCC[C@H]1CS(=O)(=O)Nc1ccc(O)cc1Cl 2093556308 CIBUYNMTZPSCCG-UWVGGRQHSA-N 303.811 3.224 10 10 DGCE NCc1ccc(N2C[C@H]3[C@@H](C[C@H]3C(F)(F)F)C2)cc1Cl 2281181792 KKTZYDMIUBWBJX-ZMLRMANQSA-N 304.743 3.433 10 10 DGCE Cc1ccc(C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 2296663337 BZSZTZKQUOLFPJ-ZDUSSCGKSA-N 319.451 3.375 10 10 DGCE CS[C@@H]1CC[C@@H]1N(C)c1ccc(CN)c(Br)c1 2307631285 ZCIDOLWPXNKLDG-QWHCGFSZSA-N 315.280 3.238 10 10 DGCE CC(C)=CCC(=O)NCc1ccc(C)c(Br)c1O 2327593828 HTLLFJMYLSYBKT-UHFFFAOYSA-N 312.207 3.436 10 10 DGCE CN1CCCC[C@@H]1CNCc1cc(Cl)cc(Cl)c1O 44561645 ATUHEFLQFDJQPF-GFCCVEGCSA-N 303.233 3.273 10 10 DGCE CN(C)c1ccc([C@H]2CC(c3ccccc3)=NN2C(N)=S)cc1 72413044 JYKCBDMBZFRJBB-QGZVFWFLSA-N 324.453 3.147 10 10 DGCE CN(C)c1ccc(-c2nccn2Cc2ccc(C(=O)O)cc2)cc1 82736875 NULKWKKAIJTQBG-UHFFFAOYSA-N 321.380 3.363 10 10 DGCE CC1=CSC2=NC(=O)/C(=C/c3ccc(O)c(Cl)c3)C(=N)N12 102446427 VUICEGLAVHJAIA-GXMNLAJHSA-N 319.773 3.213 10 10 DGCE CCN(CC)c1ccc(CN(C)CC(=O)NC(C)(C)C)cc1F 120667287 VAGLVHIKCHQRKR-UHFFFAOYSA-N 323.456 3.018 10 10 DGCE CN(C)C1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 132200070 UPPFZLDQXVCYHW-UHFFFAOYSA-N 303.233 3.225 10 10 DGCE C[C@@H](c1cc(Br)ccc1O)N1CCOC(C)(C)C1 132306406 VXAPRHATQAWECJ-JTQLQIEISA-N 314.223 3.327 10 10 DGCE CCN(CC)c1ccc(CNC[C@@](C)(O)c2ccc(C)o2)cc1 174494048 OMHPDGORRMITQH-LJQANCHMSA-N 316.445 3.432 10 10 DGCE CC(C)(C)OC(=O)[C@H]1CCN(Cc2cc3c(cc2O)CCC3)C1 176170068 TWUMMCAZPBRCLN-HNNXBMFYSA-N 317.429 3.045 10 10 DGCE Nc1ccc(CC(=O)N[C@@H]2CCOc3c(Cl)cccc32)cc1 178448728 SAAUGBHVWDQTTJ-OAHLLOKOSA-N 316.788 3.105 10 10 DGCE C[C@H](NC[C@H](O)c1ccc(OC(F)F)cc1)c1ccccc1O 179879144 MNDZHRRMBGEDIU-ZBEGNZNMSA-N 323.339 3.378 10 10 DGCE C[C@H](N[C@@H](C)[C@@H]1CCCO1)c1ccc(Br)cc1O 185001486 TYKFUNCFYBWHAH-BHDSKKPTSA-N 314.223 3.373 10 10 DGCE CCN1CC[C@H](CN[C@@H](C)c2cc3c(cc2O)CCCC3)C1 185059834 GWDWINPSXOSFOZ-LSDHHAIUSA-N 302.462 3.263 10 10 DGCE COc1ccc(O)c([C@@H](C)N[C@@H](C)CN2CCCCCC2)c1 186738375 WVUVTCXVVHPOTR-LSDHHAIUSA-N 306.450 3.316 10 10 DGCE COc1cccc(CNC(=O)/C=C\c2ccccc2Cl)c1O 255145163 MAXRXAZHLWWXRS-KTKRTIGZSA-N 317.772 3.384 10 10 DGCE Cc1cc(O)c(CN[C@@H]2CCO[C@@H](c3cccnc3)C2)cc1C 294988358 KLYXLTCVXKEIGA-IEBWSBKVSA-N 312.413 3.414 10 10 DGCE O=C(c1cccc(O)c1O)N1CC(Cc2ccccc2Cl)C1 365752233 HJBHCOSABFAYPI-UHFFFAOYSA-N 317.772 3.066 10 10 DGCE Cc1cc(CN)ccc1N1CCN(Cc2ccccc2)[C@@H](C)C1 396327179 DLCMMLXJSZJKRZ-KRWDZBQOSA-N 309.457 3.164 10 10 DGCE BrC1=CCCN(c2ccc(CNC3CC3)cc2)C1 404388918 GWCVFWQYHOYQFL-UHFFFAOYSA-N 307.235 3.428 10 10 DGCE Oc1cccc(Br)c1CN[C@H]1CCCC1(F)F 706835631 DLNLEUPBAVCXAG-NSHDSACASA-N 306.150 3.432 10 10 DGCE Cc1ccc(C)n1-c1ccc(-c2nc(Cn3cccn3)no2)cc1 733867787 YIFWLHHCVRANJZ-UHFFFAOYSA-N 319.368 3.389 10 10 DGCE COc1ccc(O)c([C@H](C)NCCN2[C@@H](C)CCC[C@@H]2C)c1 756552438 MGIJRFOAYIGCQI-KKUMJFAQSA-N 306.450 3.314 10 10 DGCE C[C@H](N[C@@H](c1cccnc1)C1CC1)c1cc([N+](=O)[O-])ccc1O 756786050 WYSPXGBOCUJRHD-APPDUMDISA-N 313.357 3.497 10 10 DGCE C[C@H]([C@@H]1Cc2ccccc2O1)N(C)Cc1cc(F)ccc1O 779035402 ZJAZMWONOHSJQV-XIKOKIGWSA-N 301.361 3.355 10 10 DGCE CC[C@@H](NCCc1cnc(C2CC2)nc1)c1ccc(F)cc1O 796846022 DRIOQPBXBZHOOI-MRXNPFEDSA-N 315.392 3.482 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2Cc1cc(C(C)(C)C)on1 798195461 HJYJWWULSHEQSL-UHFFFAOYSA-N 315.417 3.437 10 10 DGCE CSc1cnc(N(Cc2ccc(N(C)C)cc2)C2CC2)nc1 804362731 MUVIEGZNNRCQNN-UHFFFAOYSA-N 314.458 3.434 10 10 DGCE COc1ccc(O)c(CNc2cc(C)c(Br)cn2)c1 811805827 BKTPBYPQNNXCHQ-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE C[C@H](NCC[C@H]1CCCN1)c1ccc(N2CCCCC2)cc1 817969090 RJPHSDINXZIRCQ-FUHWJXTLSA-N 301.478 3.470 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H]1CCC(C)(C)O1 839922472 VQPTVHLTNUNXSE-PBHICJAKSA-N 318.461 3.066 10 10 DGCE COc1cc(CN[C@@H]2COCC2(C)C)c(O)c(C(C)(C)C)c1 850318063 ONPGISIRYXILIH-OAHLLOKOSA-N 307.434 3.213 10 10 DGCE Oc1cccc(Cl)c1CNc1ccn(C2CCOCC2)n1 850384840 RKVGWRAUYTUUNR-UHFFFAOYSA-N 307.781 3.206 10 10 DGCE COc1ccc(N2CC[C@H](N[C@H]3CC[C@H]3C3CCC3)C2)cc1 850488136 QKIAABOQFKMGCE-SNRMKQJTSA-N 300.446 3.442 10 10 DGCE COC[C@@H](N[C@H]1CCN(c2ccc(OC)cc2)C1)C1CCCC1 850489464 USHXXSIDPCDGOY-QFBILLFUSA-N 318.461 3.069 10 10 DGCE O=C(NCc1ccc(N2CC=CC2)cc1)N1CC(CC2CC2)C1 856870628 KJKVOHCCDZCIOD-UHFFFAOYSA-N 311.429 3.004 10 10 DGCE CC(=O)c1cc(F)cc(CN2CC[C@H]3CC[C@@H](C2)S3)c1O 859542777 PXXKZQYOXQLECW-KGLIPLIRSA-N 309.406 3.204 10 10 DGCE COc1cccc(CN[C@H](c2nccs2)C(F)(F)F)c1O 862432111 RRMMAYJULWXHPC-LLVKDONJSA-N 318.320 3.251 10 10 DGCE CCCc1cc(NCc2cccc(OC)c2O)nc(Cl)n1 865502593 LPKICBIZPGTPEM-UHFFFAOYSA-N 307.781 3.409 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@]12CCCC[C@@H]1C2 866203661 PRIIGGPLSIRGBL-FZKQIMNGSA-N 300.402 3.058 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1C1CCOCC1 866598828 RMTXFMXDXSXMKF-DLBZAZTESA-N 317.429 3.194 10 10 DGCE CN(C)c1ccc(CNC2CCC(C)(N3CCC3)CC2)cc1F 922846954 IDSHEJBVSPHPMJ-UHFFFAOYSA-N 319.468 3.388 10 10 DGCE CC(=O)c1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1C 1141718784 KEFRBOGCIYNJOK-XBXARRHUSA-N 311.337 3.261 10 10 DGCE C/C(=C\C(=O)N(C)c1cccc2ncccc12)c1cnccn1 1267368548 TWAVOLYDEXLIHL-ACCUITESSA-N 304.353 3.091 10 10 DGCE CCOc1ncc(C(=O)N[C@H](C)c2ccccc2O)cc1Cl 1302530146 BPKCDCGIDGUOTL-SNVBAGLBSA-N 320.776 3.330 10 10 DGCE CCCCC(=O)N(C)[C@@H](C)CNCc1ccc(OC)c(C)c1 1319425135 SJGXJMZTDOYPIJ-HNNXBMFYSA-N 306.450 3.130 10 10 DGCE CCc1ncoc1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1356266656 LRNIEWHSYKVRNU-UHFFFAOYSA-N 313.401 3.109 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)c1csc(Cl)n1 1452935358 FVHJFDCOWHOQHA-UHFFFAOYSA-N 303.170 3.086 10 10 DGCE CC(C)[C@@H](C(=O)NCc1cc(Cl)ccc1O)N1CCCCC1 1452947005 PGIAJOMVEFVFII-INIZCTEOSA-N 324.852 3.172 10 10 DGCE COC(=O)COc1ccc(N(C)C[C@H]2CCCC(C)(C)O2)cc1 1459939666 YRRDEHOCIFHNGC-MRXNPFEDSA-N 321.417 3.022 10 10 DGCE Cc1coc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)c1 1536549162 BSTXANFPRJOHEE-AWEZNQCLSA-N 300.402 3.323 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)NC(C)(C)CN(C)C)cc1 1583188350 YUZGPRFDAPXUQH-UHFFFAOYSA-N 313.445 3.164 10 10 DGCE CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1CNC(=O)Cc1ccc(O)c(O)c1 1583966286 JMOVFQFVOWTXSX-BMFZPTHFSA-N 319.445 3.465 10 10 DGCE Cc1cc(N(C)C(=O)/C=C\c2ccc(Cl)nc2)ccc1O 1587082014 ALNZRAMLKJRJDI-YWEYNIOJSA-N 302.761 3.425 10 10 DGCE Cc1cc(CNC(=O)c2ccn(C)c2)c(C)n1-c1ccccc1 1587886584 QLVDTXJGCLGYNH-UHFFFAOYSA-N 307.397 3.363 10 10 DGCE CCCN(CC(=O)OC)Cc1ccc(N2CCCCC2)c(C)c1 1658284041 RDOPXVJNUCJECA-UHFFFAOYSA-N 318.461 3.370 10 10 DGCE Cc1ccc(O)c(CNCCC(=O)Nc2c(C)cccc2C)c1 1857853130 JLJMGJFKXVGAIZ-UHFFFAOYSA-N 312.413 3.436 10 10 DGCE FC(F)(F)c1ccccc1NN=NCCCN1CCOCC1 1860493560 RMPFJOKRMMMKLU-UHFFFAOYSA-N 316.327 3.207 10 10 DGCE Cc1cc(Br)ccc1C(=O)N1CC[C@@H](N=[N+]=[N-])C1 1912191416 RIPRIIMTWAUZKJ-SNVBAGLBSA-N 309.167 3.282 10 10 DGCE CN[C@H](c1ccccc1O)[C@@]1(C)CCCN1C(=O)OC(C)(C)C 1936975735 OGDSKWCODBONFH-CRAIPNDOSA-N 320.433 3.442 10 10 DGCE COc1ccc(N(C)C2CC(OCc3ccccc3)C2)c(N)c1 1939614340 SSCXPDDWTLPBEQ-UHFFFAOYSA-N 312.413 3.461 10 10 DGCE CO[C@@H](CCCc1ccc(N)cc1)CNC(=O)OC(C)(C)C 1952464822 DQXGRXFUSGYRGW-HNNXBMFYSA-N 308.422 3.131 10 10 DGCE CC(C)(C)OC(=O)N1CC=C(CNc2ccc(N)cc2)CC1 1959377561 PRDBCKLJBXVGSP-UHFFFAOYSA-N 303.406 3.248 10 10 DGCE CC(C)[C@H]([C@H](N)c1ccccc1O)N(C)C(=O)OC(C)(C)C 1962445346 HBEMNWKEOOPNFS-HUUCEWRRSA-N 308.422 3.284 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H]2CCN(CCCN=[N+]=[N-])C[C@@H]2C1 1982248316 SIPSHSZOWIVNPW-ZIAGYGMSSA-N 323.441 3.266 10 10 DGCE C[C@@H]1C[C@@]1(NC(=O)OC(C)(C)C)[C@@H](O)c1ccc(N(C)C)cc1 1984178820 XTIFHSUPWOBXFF-MRAWALMUSA-N 320.433 3.089 10 10 DGCE CC(C)(O)CN(Cc1ccccc1)c1ccc2c(c1)CC[C@H]2N 1986605713 CGEVPHGFWDQZGD-LJQANCHMSA-N 310.441 3.410 10 10 DGCE COc1ccc(N(CCC=CBr)CCCN)cc1 2051151483 RJXSSMSXIUQRCK-UHFFFAOYSA-N 313.239 3.149 10 10 DGCE C[C@H](O)c1ccc(N2C[C@H](F)C[C@@H](F)C2)c(Br)c1 2062397291 SYBHGMCEHGPDDA-JMJZKYOTSA-N 320.177 3.389 10 10 DGCE CCNC(=O)c1cc(C(C)C)nn1[C@@H](C)c1ccc(C)cc1O 2070161714 PLFIIPZOMIWYMA-ZDUSSCGKSA-N 315.417 3.380 10 10 DGCE CC[C@@H](c1ccc(C)cc1O)n1nc(C(C)(C)C)c(CN)c1N 2079034062 GNLPSDOFPIAZNU-AWEZNQCLSA-N 316.449 3.235 10 10 DGCE Cc1ccnc(C)c1CNCc1cc(Br)ccc1O 2129795124 AHFRPIRNRIYQBK-UHFFFAOYSA-N 321.218 3.456 10 10 DGCE Cc1ccnc(C)c1CNCc1cccc(Br)c1O 2129800571 WKURDKOCMSPARA-UHFFFAOYSA-N 321.218 3.456 10 10 DGCE Oc1cc(Cl)ccc1CN[C@@H]([C@@H]1CCOC1)C(F)(F)F 2146308044 HZRWTXOPBIBGQX-SKDRFNHKSA-N 309.715 3.103 10 10 DGCE CN(CCC(F)(F)C(F)(F)F)c1ccc(CO)cc1F 2166641137 HZTMVBRALPIBRP-UHFFFAOYSA-N 301.230 3.342 10 10 DGCE CN[C@H](C)c1ccc(N2CC[C@](F)(COC)C2)cc1Cl 2179806134 ZOTFLSFYHXEXDA-IAQYHMDHSA-N 300.805 3.185 10 10 DGCE C[C@@H](N)c1ccc(N(C)C[C@@]2(C)CSCCO2)c(Cl)c1 2201254174 KUKSYNVQRFAECM-ABAIWWIYSA-N 314.882 3.318 10 10 DGCE C[C@H](c1ccc(Cl)cc1O)N1CC[S@](=O)C(C)(C)CC1 2203336545 NAHSVUUPSDEECJ-GIPWTMENSA-N 315.866 3.340 10 10 DGCE CC(C)N[C@@](CSc1nccs1)(C(=O)O)C1CCCC1 2208182348 DXLXDPCCUZCZLL-CQSZACIVSA-N 314.476 3.247 10 10 DGCE Cc1nsc(CNCc2cc(Cl)cc(Cl)c2O)n1 2208744752 NSFYFWBSFIUVDV-UHFFFAOYSA-N 304.202 3.149 10 10 DGCE COc1ccc(Br)c(CNC[C@H](C)C2CC2)c1O 2220462468 LWBVZVFHXMSKLL-VIFPVBQESA-N 314.223 3.299 10 10 DGCE CNCc1ccc(N2CC[C@@H]3C[C@@]3(F)C2)cc1Br 2222711244 XXHAILHSWSDZRO-BXUZGUMPSA-N 313.214 3.107 10 10 DGCE CSc1ncc(CNCc2ccccc2NC(C)=O)s1 2284689337 NKXRZPYESHLYMK-UHFFFAOYSA-N 307.444 3.113 10 10 DGCE COCCN(CCOC)[C@@H](C)c1cc(Cl)c(C)cc1O 2286485039 ITDRIJBRBPOJQD-LBPRGKRZSA-N 301.814 3.010 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc(-c2ncc[nH]2)cc1 2307986961 QFAZUAJTHBSENZ-UHFFFAOYSA-N 321.336 3.140 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)N1CC2(CC2)c2ccccc21 2308001412 GLAPYCNIFYJHOZ-UHFFFAOYSA-N 307.349 3.189 10 10 DGCE CN(C[C@H]1CCC1(F)F)c1ccc(CO)cc1Br 2313720886 DUWHMKSKCXBTGS-SNVBAGLBSA-N 320.177 3.423 10 10 DGCE C[C@@H](O)CCCN(C)c1ccc([C@@H](C)N)c(Br)c1 2314472471 RLPQJGUWFLNRQX-GHMZBOCLSA-N 315.255 3.066 10 10 DGCE C[C@H](O)CCCN(C)c1ccc([C@H](C)N)c(Br)c1 2314472473 RLPQJGUWFLNRQX-QWRGUYRKSA-N 315.255 3.066 10 10 DGCE CCCC1=NN(CCC)C(=O)C1=Cc1ccccc1C(=O)O 2332131781 DYTZMSQIXWTKQZ-UHFFFAOYSA-N 300.358 3.177 10 10 DGCE COc1ccc(C2=NN[C@H](c3ccccc3Cl)C2)c(O)c1 8472960 ISCCXJHZBXZIOO-AWEZNQCLSA-N 302.761 3.493 10 10 DGCE Oc1ccc(NCc2cc3c(cc2Br)OCO3)cc1 37132221 DMAIFVMYDIUWEM-UHFFFAOYSA-N 322.158 3.496 10 10 DGCE CCc1cc(C(=O)Nc2ccc(O)cc2C(=O)O)sc1C 48847111 GLBSEYREHPFTAE-UHFFFAOYSA-N 305.355 3.275 10 10 DGCE C[C@H](CN1CCCC1)NCc1cc(Cl)cc(Cl)c1O 49149577 VAALCGOSJSWEAO-SNVBAGLBSA-N 303.233 3.273 10 10 DGCE C[C@H](Nc1ccc(Cl)c(C(N)=O)c1)c1ccc(F)cc1O 62747042 LHISRVGYHCZGFM-QMMMGPOBSA-N 308.740 3.457 10 10 DGCE c1cc(CNCc2ccc3c(c2)CCO3)cc(Cn2ccnc2)c1 77327325 VXIHIAMDUBTZEM-UHFFFAOYSA-N 319.408 3.156 10 10 DGCE COc1ccc(-c2nccn2Cc2ccccc2O)cc1OC 82736982 HBWQOBOOTQMDOT-UHFFFAOYSA-N 310.353 3.321 10 10 DGCE CCCCNC1=NC(=O)/C(=C\c2ccc(N(C)C)cc2)S1 96585929 OCFNSRDMLHCYCG-SDNWHVSQSA-N 303.431 3.113 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)Nc1ccnn1CCC 171166178 TWZYGSVSTKGWJH-UHFFFAOYSA-N 316.405 3.443 10 10 DGCE COc1cccc(F)c1[C@H](C)NC(=O)c1ccc(C)c(O)c1O 179520369 LWFUIGOIJSJQKK-JTQLQIEISA-N 319.332 3.045 10 10 DGCE C[C@H](NCC(=O)N1CCCc2ccccc21)c1ccccc1O 179873219 TWBHBMKPPQNRBU-AWEZNQCLSA-N 310.397 3.022 10 10 DGCE C[C@H](N[C@@H](C)c1nnc2n1CCCC2)c1ccc(F)c(F)c1O 187738903 PNVROBRFAKPNIE-UWVGGRQHSA-N 322.359 3.010 10 10 DGCE C[C@H](NC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1O 223662006 BWPHXUJIGOQNKA-UONOGXRCSA-N 320.433 3.300 10 10 DGCE Cc1ccc(O)c(CN[C@@H](CNC(=O)OC(C)(C)C)C(C)C)c1 227773628 RWXYKOWDSZLUCQ-HNNXBMFYSA-N 322.449 3.340 10 10 DGCE Cc1cc(CNCc2ccc(N3CCOCC3)cc2)cs1 294256289 QJRVDTAMOJCTFP-UHFFFAOYSA-N 302.443 3.183 10 10 DGCE CCN(CC)c1ccc(CN[C@H]2CCn3ccnc32)cc1F 294690673 BUGVUFCEKMNFBD-HNNXBMFYSA-N 302.397 3.103 10 10 DGCE Cc1nocc1/C=C1/CCn2c1nc1sc(C)c(C)c1c2=O 295904236 LRNIGEHFYUOKHD-WDZFZDKYSA-N 313.382 3.316 10 10 DGCE CC(C)(C(=O)O)[C@H](N)c1ccc(OCc2ccccc2)cc1O 309861743 IYTIJYJKBKPZNL-MRXNPFEDSA-N 315.369 3.082 10 10 DGCE CN(C(=O)c1c[nH]nc1-c1cccnc1)c1ccc2cc[nH]c2c1 526940760 GWRSWJVIBUODHY-UHFFFAOYSA-N 317.352 3.230 10 10 DGCE Cc1cc(F)c(O)c([C@H](c2cccs2)N2CCOCC2)c1 575302381 JZBQDOCEFIGHNT-OAHLLOKOSA-N 307.390 3.323 10 10 DGCE COc1cccc([C@H](CCC(F)(F)F)N2CCOCC2)c1O 575304733 KBXSUTRRMGWZSE-LBPRGKRZSA-N 319.323 3.117 10 10 DGCE C[C@H]1CCC[C@H](CNCc2ccc(Br)cc2O)O1 691464840 GPMVQYGLVHUGOT-GXFFZTMASA-N 314.223 3.202 10 10 DGCE CC(C)(CNCc1cc(Cl)cc(Cl)c1O)n1cccn1 697602142 CBRUUTLIJOTCMY-UHFFFAOYSA-N 314.216 3.420 10 10 DGCE CCNC[C@@H]1CCN1c1ccc(OC(F)(F)F)cc1Cl 699643328 JKYDHRLQYNNOLJ-VIFPVBQESA-N 308.731 3.427 10 10 DGCE CSC[C@@H](C)CNCc1ccc(Br)cc1O 700996243 XOEPVIBDOQFKSR-VIFPVBQESA-N 304.253 3.243 10 10 DGCE C[C@@H](NCc1sncc1Br)c1ccccc1O 722818267 IWQYDSANQZFTGI-MRVPVSSYSA-N 313.220 3.462 10 10 DGCE Cc1ccc(C(=O)O[C@@H](C)c2cccc([N+](=O)[O-])c2)c(O)c1O 727005274 MNBYQWIGVXREFR-JTQLQIEISA-N 317.297 3.232 10 10 DGCE COC(=O)/C=C\c1ccc(N2CC[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 751968559 OQGWNEVBOATVIW-ZADDAZQUSA-N 304.346 3.016 10 10 DGCE Oc1ccccc1CN(CC[C@@H]1CCCCO1)C[C@H]1CCCO1 754070164 WVQKHSUGRJFTFD-ZWKOTPCHSA-N 319.445 3.332 10 10 DGCE Cc1ccnc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)n1 792032668 CXCJTNAJDZLHEI-UHFFFAOYSA-N 324.428 3.048 10 10 DGCE CC(C)(C)CNC(=O)NCc1cc(Br)ccc1O 804977328 UXMXEBOMXDCYHO-UHFFFAOYSA-N 315.211 3.000 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1scnc1C1CC1 808096353 HLRRKMLJKGAZHU-UHFFFAOYSA-N 323.414 3.142 10 10 DGCE CC(C)C[C@H](CCO)CNC/C=C/c1ccc(N(C)C)cc1 835043636 TYANSMARVPZPGN-QWNKOJSDSA-N 304.478 3.400 10 10 DGCE Cc1ccc([C@H]2CCN(C(=O)NCCc3ccc(N)cc3)C2)cc1 841956682 DUDBQKKOMNWRQL-SFHVURJKSA-N 323.440 3.319 10 10 DGCE Cc1cc(Br)c(O)c(CN2CC3(C2)CC3(F)F)c1 848922041 LIMUUWYWWPDITB-UHFFFAOYSA-N 318.161 3.304 10 10 DGCE CCOc1ccc(O)c(CNC[C@H](CC(=O)O)CC(C)C)c1 854243793 BIFZGFYWOZCHKX-ZDUSSCGKSA-N 309.406 3.018 10 10 DGCE CC[C@@H](N[C@H]1C(=O)N(C)Cc2ccccc21)c1ccccc1O 857875334 KSFKAMCOGFREFB-SJLPKXTDSA-N 310.397 3.146 10 10 DGCE C[C@@H](NC[C@H](n1cccn1)C(F)(F)F)c1ccc(F)cc1O 858449461 MAJBGEIVWIKEMN-RNCFNFMXSA-N 317.286 3.182 10 10 DGCE COc1ccc(N2CCN(C[C@]3(C)CCCS3)CC2)cc1F 862251694 LKPKCQVQSBXTLB-KRWDZBQOSA-N 324.465 3.242 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H]2CCC3(CCC3)O2)c1 896162432 DRJBKJCXWKHORC-OCCSQVGLSA-N 319.401 3.070 10 10 DGCE Cc1c(C(=O)NCc2ccccc2O)ccn1Cc1ccccc1 1137471656 VHCLTKLBYNTVAD-UHFFFAOYSA-N 320.392 3.480 10 10 DGCE Cc1cc(CN2C[C@@H](C)O[C@](C)(C(F)F)C2)ccc1N(C)C 1174723528 CLXUGLLFUMVKGF-DYVFJYSZSA-N 312.404 3.306 10 10 DGCE C[C@@H]1C(=O)CC[C@H]1CC(=O)NCc1c(O)ccc2ccccc12 1179032496 IWMZCHDSDBHQGV-JSGCOSHPSA-N 311.381 3.167 10 10 DGCE Cc1nccnc1C(=O)NCc1cc(C)n(-c2ccccc2)c1C 1544086197 FOCDQZZNHWDGOT-UHFFFAOYSA-N 320.396 3.123 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2ccc(OC(F)F)cc2)c1 1641729067 KDWFQKMUOVUYJH-UHFFFAOYSA-N 307.296 3.232 10 10 DGCE COc1ccc2c(c1)CCCCN2Cc1nccn1CC(F)F 1657841488 CTZOUEHBNZZOJZ-UHFFFAOYSA-N 321.371 3.500 10 10 DGCE C[C@H]1C[C@@H](C)CN(/N=N/c2ccc3c(c2)OCC(=O)N3C)C1 1860487981 YGFIBCFAJYJDSE-HLVBCBOFSA-N 302.378 3.018 10 10 DGCE CCCCOc1ccc(NN=NCCCN2CCOCC2)cc1 1860494742 GUJBTHMAVHJJAN-UHFFFAOYSA-N 320.437 3.367 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CC[C@H]1Nc1c(N)cccc1Cl 1886530026 LOTFLXQXAOIJJI-NEPJUHHUSA-N 311.813 3.390 10 10 DGCE Cc1cnc(C(=O)N2CCC[C@H]2CN=[N+]=[N-])c(Br)c1 1911243471 FHTGBAPHRIIMSP-VIFPVBQESA-N 324.182 3.067 10 10 DGCE CSCCCN(C)c1c(F)cc(C=CC(=O)O)cc1F 1911918771 SDEFFFSMNBSZLQ-UHFFFAOYSA-N 301.358 3.252 10 10 DGCE C[C@H]1CCN(c2ccc(CO)c(Br)c2)C[C@@H]1F 1946883510 UWXDAJJBTNTAGD-ZANVPECISA-N 302.187 3.126 10 10 DGCE OCc1ccc(N2CC(CC(F)F)C2)c(Br)c1 1946931950 CWLQEXXAUZYZQM-UHFFFAOYSA-N 306.150 3.033 10 10 DGCE Cc1cccc(N)c1N[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 1959373610 KUEYBDUAEZKDDX-KGLIPLIRSA-N 305.422 3.435 10 10 DGCE C[C@H]1C[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)CN1CCN=[N+]=[N-] 1962305440 SBVKXMAHCMCTOO-AGIUHOORSA-N 311.430 3.168 10 10 DGCE O=C(O)CCCN(Cc1ccccc1)Cc1c(O)cccc1F 1976876763 DTJNKGVTPMELMQ-UHFFFAOYSA-N 317.360 3.398 10 10 DGCE C[C@H](N[C@@H]1CC[C@@H]1CNC(=O)OC(C)(C)C)c1ccccc1O 1986710110 SFPXCJZITGNYQQ-GZBFAFLISA-N 320.433 3.346 10 10 DGCE Nc1ccccc1N[C@H]1CN(Cc2ccccc2)C[C@H]1C(F)F 1989881875 AQSPUCAIGIVSPO-PBHICJAKSA-N 317.383 3.446 10 10 DGCE C[C@H]1CN(c2ccc3c(c2)CC[C@@H]3O)CCN1Cc1ccccc1 2012706590 GMQYLQYTRRVHAA-KKSFZXQISA-N 322.452 3.377 10 10 DGCE FC1=CCN(c2ccc(CNC3CC3)cc2Br)C1 2046171885 PPVZLIFGSZUMNE-UHFFFAOYSA-N 311.198 3.375 10 10 DGCE COc1cccc(O)c1[C@@H](C)N[C@@H]1COc2cc(F)ccc2C1 2064859767 KKJUYCBHGQLXSH-RISCZKNCSA-N 317.360 3.194 10 10 DGCE C[C@H](c1c(O)cccc1F)n1nc(C2CC2)cc1CN(C)C 2070155486 NAOFUXQRACUOGC-LLVKDONJSA-N 303.381 3.276 10 10 DGCE Oc1cc(Br)ccc1CNC[C@H]1C2C[C@@H]3C1[C@@H]3C2 2070870339 JOWOUYLUFULMGG-UKQJLTFWSA-N 308.219 3.146 10 10 DGCE CCc1nn(Cc2cc(OC)ccc2O)c(N)c1C(C)(C)C 2079610294 QYDQUAIGZDGBMB-UHFFFAOYSA-N 303.406 3.088 10 10 DGCE COc1ccc(CNC[C@]2(Br)CC2(F)F)cc1C 2082492927 KYROPIRIFJBRDB-GFCCVEGCSA-N 320.177 3.266 10 10 DGCE CN(Cc1ccc(O)cc1)c1ccc(CN)cc1Br 2096574272 LEQOQIRRIGVHRT-UHFFFAOYSA-N 321.218 3.250 10 10 DGCE CN[C@H](c1ccc(N(C)C)cc1)c1cccnc1Br 2107910662 KNLHGMYSAWUKFL-CQSZACIVSA-N 320.234 3.219 10 10 DGCE COc1cc(Br)cc([C@@H](O)Cc2ccc(N)cc2)c1 2136378467 DEXBYFWRVGTMHL-HNNXBMFYSA-N 322.202 3.316 10 10 DGCE CN[C@H](c1ccccc1O)[C@@H](O)c1c(Cl)cncc1Cl 2149795286 XSQGUCGIXJQUCD-KGLIPLIRSA-N 313.184 3.088 10 10 DGCE CN[C@H](c1ccc2c(c1)CCN2C)[C@H]1SCCS[C@H]1C 2163078158 GYBBRCKEAIUBTR-XZJROXQQSA-N 308.516 3.177 10 10 DGCE NC[C@@H]1C[C@H]2CCC[C@@H]2N1Cc1cc(Cl)cc(Cl)c1O 2164803222 KZLMOJVSLPVFAC-LQJRIPTKSA-N 315.244 3.401 10 10 DGCE OCC1CCC(F)(CNCc2cc(Cl)ccc2O)CC1 2178644612 ZBUMYEBXMVORPT-UHFFFAOYSA-N 301.789 3.026 10 10 DGCE CCCN[C@@H](c1ccccc1O)[C@H](O)c1nc(Cl)cs1 2196958645 REFHOLXWAJHOHX-STQMWFEESA-N 312.822 3.276 10 10 DGCE OC1(c2ccc(N3CCCCC3)cc2)CSCCSC1 2237032575 TWQPJCMDBYUZMM-UHFFFAOYSA-N 309.500 3.345 10 10 DGCE CCN[C@]1(CO)CCCC[C@@H]1CCSc1nccs1 2273067151 RAEVSNZYODEVDH-OCCSQVGLSA-N 300.493 3.156 10 10 DGCE CC[C@H](C)[C@H]1CN(Cc2cnc(SC)s2)[C@H](CC)CN1 2284677036 MTDRCINUYYLTLV-OUCADQQQSA-N 313.536 3.464 10 10 DGCE N=C(N)c1cnc(Sc2nc(-c3ccncc3)cs2)s1 2296238825 KTLZQYSMAKETKC-UHFFFAOYSA-N 319.440 3.097 10 10 DGCE CN(c1ccc(CO)c(Br)c1)[C@@H]1C[C@@H]2C[C@H]1[C@@H]1C[C@H]21 2330306006 UBDJIFPXGAQNHN-OIUQYKKBSA-N 322.246 3.422 10 10 DGCE COc1ccc(Br)c(CN[C@H]2C[C@H]3C=C[C@@H]2C3)c1O 2333718889 IBKRRMFJTVUUNR-CWSCBRNRSA-N 324.218 3.218 10 10 DGCE CCN(CC)c1ccc([C@H](N)CN)c(OCc2ccccc2)c1 44469036 INIFFMKZAQFGLN-GOSISDBHSA-N 313.445 3.070 10 10 DGCE CN(C(=O)CSc1ncccc1Cl)c1ccc(N)cc1 79425585 PJQSRHMRSYBKIK-UHFFFAOYSA-N 307.806 3.072 10 10 DGCE COCCNCc1ccc(N(C)[C@H](C)CSC)c(Cl)c1 124249352 SGQVNNMWTUJKSF-GFCCVEGCSA-N 316.898 3.264 10 10 DGCE COC(=O)c1scc(C)c1NC(=O)Nc1ccc(N)cc1 128504511 ARJXGAJTRRQBGS-UHFFFAOYSA-N 305.359 3.069 10 10 DGCE CCO[C@H]1C[C@H](N(C)Cc2cc([N+](=O)[O-])ccc2O)C12CCC2 177916176 WJCLQYAUASQCDA-HOTGVXAUSA-N 320.389 3.080 10 10 DGCE CCOc1ccc(O)c(CN2CCCN(C3CCCC3)CC2)c1 179771788 BUEWLZFJIGYULH-UHFFFAOYSA-N 318.461 3.241 10 10 DGCE CCN(CC)c1ccc(CN(C)[C@@H](C)c2cnn(C)c2)cc1 180971131 DSAQPHMRHYUHRR-HNNXBMFYSA-N 300.450 3.459 10 10 DGCE CCc1cnccc1C(=O)NCc1ccc(N2CCCC2)cc1 182511722 QUIBEQGFSMZNNQ-UHFFFAOYSA-N 309.413 3.174 10 10 DGCE COc1cccc(CNc2ncnc3c(C)csc23)c1O 192559730 BRJDGTJLBYQXLK-UHFFFAOYSA-N 301.371 3.326 10 10 DGCE Cc1ccc([C@@H](C)Nc2ccc(N3CCOCC3)nc2)c(O)c1 192797356 PTTJWHPDPUBXSG-CQSZACIVSA-N 313.401 3.105 10 10 DGCE COc1cccc2cc3c(c(O)c12)C(=O)c1c(O)cccc1C3=O 196496283 ZWHHHOAKJNETJG-UHFFFAOYSA-N 320.300 3.035 10 10 DGCE Cc1nc(-c2ccccc2)nc2c1C(=O)c1ccccc1C2=O 196549286 YWTZQGYRMPYEQO-UHFFFAOYSA-N 300.317 3.227 10 10 DGCE CC(=O)Nc1ccc2nc(-c3ccc(O)c(O)c3)sc2c1 216052427 PQXGTBDFQDPMPK-UHFFFAOYSA-N 300.339 3.333 10 10 DGCE CC[C@H](N[C@H]1Cc2ccccc2[C@H]1O)c1ccc(N(C)C)cc1 248185737 XHWXSRVVSORZFO-SLFFLAALSA-N 310.441 3.452 10 10 DGCE COc1cc(Cl)cc(CNCCc2ncccc2C)c1O 295120628 XIGGVNBGOVZIKE-UHFFFAOYSA-N 306.793 3.090 10 10 DGCE NCc1ccc(N2C[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2)cc1Br 311839851 HIOGGNPVNQIHQI-LWWSYDQCSA-N 321.262 3.390 10 10 DGCE Nc1ccc(C[C@@H](O)Cc2cc(Br)cs2)cc1 696542864 IZUBFOWCKSAJFH-GFCCVEGCSA-N 312.232 3.239 10 10 DGCE COC(=O)/C=C/c1ccc(N2CCC[C@H]2C2CC2)c([N+](=O)[O-])c1 728566511 HQDSOKVUAKSTPL-KVEVGEHQSA-N 316.357 3.160 10 10 DGCE CN(Cc1cc(C(C)(C)C)cc(O)c1O)[C@@H]1CCN(C2CC2)C1 732188825 LZFBJNLWHIMLQB-MRXNPFEDSA-N 318.461 3.064 10 10 DGCE Cc1cc(Br)cc(CN(C[C@H](C)O)C(C)C)c1O 775680474 FYNMMMKPLFAPDN-NSHDSACASA-N 316.239 3.054 10 10 DGCE CC1(C)CC[C@@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 822554530 YMTOTLHCGATJNX-MRXNPFEDSA-N 318.486 3.292 10 10 DGCE C[C@@H](NC(=O)[C@H]1CCC1(C)C)c1ccc(N2CCOCC2)cc1 823835344 XRYVEXDHYIICTC-RHSMWYFYSA-N 316.445 3.137 10 10 DGCE Cc1ccc(O)c(CN2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)c1 825031131 ZVJGZCAAOZEGGN-WBVHZDCISA-N 317.429 3.208 10 10 DGCE C[C@@H](NC/C=C\c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C 835044684 NDUJPBLULYVZJE-WBTMPAOCSA-N 304.434 3.086 10 10 DGCE COc1cc(CN2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c(O)cc1C 840113469 BKCWSNAANRMTDV-ZACQAIPSSA-N 319.445 3.225 10 10 DGCE Oc1c(CN2CCO[C@@]3(CCSC3)C2)ccc2ccccc12 843418411 STTZDUJIZCVZHD-SFHVURJKSA-N 315.438 3.253 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCCCCO1 845261765 OQVTXKZWKWINBG-HNNXBMFYSA-N 319.449 3.119 10 10 DGCE CCOc1ccc(CN[C@H](C2CC2)[C@@H]2CCCCO2)c(O)c1 848559146 AVHKQJJNTJZUAI-ZWKOTPCHSA-N 305.418 3.228 10 10 DGCE Oc1cccc(Cl)c1CNc1ccc([C@H]2CNCCO2)cc1 849353063 XOWPLSITZGRILT-QGZVFWFLSA-N 318.804 3.319 10 10 DGCE CC(=O)c1cc(Cl)cc(CN[C@@H]2CCC[C@]23CCCO3)c1O 880509807 XUVNJWOCKCOARX-WBVHZDCISA-N 323.820 3.440 10 10 DGCE Cc1cc(O)c(CN2CC[C@@](CO)(C(F)(F)F)C2)cc1Cl 895837593 OAHPOYPWJYYXRD-CYBMUJFWSA-N 323.742 3.101 10 10 DGCE CCOC[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(C)C 897534021 IEZJKLYUOVMMMJ-LLVKDONJSA-N 323.414 3.103 10 10 DGCE CCN(CC)c1ccc(CN[C@@H]2C[C@H]3C[C@@]3(C(=O)O)C2)cc1F 901959208 WVOHZHXQLIWOBH-PMUMKWKESA-N 320.408 3.015 10 10 DGCE CC[C@H](C)C(=O)NCc1cc(NC(=O)[C@H](C)CC)ccc1O 923125289 BWLMCKOAKLBOTJ-NWDGAFQWSA-N 306.406 3.039 10 10 DGCE Cc1ccc(O)c(CNC(=O)[C@@H]2CCOc3c(F)cccc32)c1 1147962510 WXNRRLPTRBAPGO-CQSZACIVSA-N 315.344 3.022 10 10 DGCE O=C(NCc1c(O)cccc1O)[C@@H]1CCC[C@H]1c1ccccc1 1178912701 WTAMIMCAJRDGRO-LSDHHAIUSA-N 311.381 3.298 10 10 DGCE O=S(=O)(Nc1ccc(O)c(F)c1)c1cccc(Cl)c1F 1259468936 DSKJTVHIFPCVGB-UHFFFAOYSA-N 319.716 3.125 10 10 DGCE O=C(NCCCSc1nccs1)[C@@H]1CCC[C@H](F)C1 1325877745 GYSZGUMJAYCFLN-MNOVXSKESA-N 302.440 3.270 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)c2ccc(Cl)nc2F)c1 1445968703 MWEYCJAJBFHCRA-QMMMGPOBSA-N 324.739 3.079 10 10 DGCE O=[N+]([O-])c1c(N2Cc3cccc(O)c3C2)ccc2ncccc12 1458544401 MQTCSEIDALADOE-UHFFFAOYSA-N 307.309 3.369 10 10 DGCE COc1cccc(C(F)(F)C(=O)N(C)Cc2ccccc2O)c1 1465844958 ZPEOZSJFIPGONQ-UHFFFAOYSA-N 321.323 3.151 10 10 DGCE CC(=O)c1cc(C(=O)NCc2cccc(Cl)c2O)cs1 1472317124 WSRZPXPIXUPUAA-UHFFFAOYSA-N 309.774 3.240 10 10 DGCE COc1ccc(N(C)CC[C@H](O)c2ccccc2)c(OC)c1 1616477128 RXRGOLGLMNCMBH-KRWDZBQOSA-N 301.386 3.264 10 10 DGCE Cc1cc(CNC(=O)[C@H]2C[C@@H](C)CO2)c(C)n1-c1ccccc1 1624075622 WHFAUPIOWMVYNK-FZKQIMNGSA-N 312.413 3.135 10 10 DGCE O=C(NCc1ccnc(-c2ccccc2)c1)c1cccc(O)c1O 1631441412 IBZDZZLPMRBLNU-UHFFFAOYSA-N 320.348 3.090 10 10 DGCE COC(=O)c1cnc(SCc2cnc(Cl)c(F)c2)s1 1652002775 SZPAYODKKYMWHS-UHFFFAOYSA-N 318.782 3.410 10 10 DGCE CC/C=C(\C)C(=O)N[C@@H](C)CCNCc1ccc(OC)c(C)c1 1667994571 UOOFZFHEBPXNAK-KAMPRCONSA-N 318.461 3.344 10 10 DGCE CCC(C)(C)CC(=O)NC[C@H](C)NCc1ccc(OC)c(C)c1 1713312187 HFRLDKMECTZUHU-HNNXBMFYSA-N 320.477 3.424 10 10 DGCE Fc1ccc(/N=N/N2CCN(c3ncccn3)CC2)cc1Cl 1860481410 XRNNCUAIEGQGAW-FMQUCBEESA-N 320.759 3.090 10 10 DGCE CCN[C@H](c1ccccc1O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H]1C 1895692436 PGGQAOYJIYWQJW-PNPHSEOMSA-N 320.433 3.346 10 10 DGCE [N-]=[N+]=NC1CCN(C(=O)c2ccsc2Br)CC1 1912159207 FHRPTNQFRSSJSD-UHFFFAOYSA-N 315.196 3.426 10 10 DGCE C[C@@H](CC1CN(C(=O)OC(C)(C)C)C1)NCc1ccc(N)cc1 1938392443 ZAAOGEVOUWSOAX-ZDUSSCGKSA-N 319.449 3.004 10 10 DGCE CCCN(CCOC)Cc1ccc(Br)cc1O 1948617149 GWESXINBDYWUPB-UHFFFAOYSA-N 302.212 3.013 10 10 DGCE CC(C)(C)OC(=O)Nc1ccc([N+](=O)[O-])cc1[C@@H](CO)N=[N+]=[N-] 1951354079 DEYZNPFVXNFTRP-LLVKDONJSA-N 323.309 3.286 10 10 DGCE CN(CC[C@@H]1CCCO1)Cc1cc(Br)ccc1O 1972189267 FNJWEJVSYMDQGC-ZDUSSCGKSA-N 314.223 3.156 10 10 DGCE C[C@H]1CN(Cc2cc(Br)ccc2O)CC1(F)F 1996513722 KJVDXHOYWZEWCJ-QMMMGPOBSA-N 306.150 3.242 10 10 DGCE C[C@@H]1[C@@H](CN(C)c2ccc(CN)cc2Br)C1(F)F 2036077084 IVKUZCPYGSKSKT-PSASIEDQSA-N 319.193 3.245 10 10 DGCE CN(C)c1ccc([C@@](C)(N)c2occc2Br)cc1 2037097783 BRWPYTLXFBITFS-CQSZACIVSA-N 309.207 3.330 10 10 DGCE C[C@@]12CC[C@@H]1CCN2c1ccc(CN)c(Br)c1F 2039542528 CMJWUYXYOFRLKH-QMTHXVAHSA-N 313.214 3.426 10 10 DGCE COc1cccc(O)c1[C@@H](C)NC1CCN(C2CCCC2)CC1 2065115863 XAZRNAAVOWFLMC-CQSZACIVSA-N 318.461 3.458 10 10 DGCE OCc1cc(-c2ccccc2)nn1Cc1cccc(Cl)c1O 2070174233 YGUZXFQGKSBHFY-UHFFFAOYSA-N 314.772 3.450 10 10 DGCE C[C@H](N)c1cc(F)c(N2CCC=C(Br)C2)c(F)c1 2074215899 YJDYJWAKJGZJIT-QMMMGPOBSA-N 317.177 3.473 10 10 DGCE Cc1ccc(N(C)Cc2c(O)cccc2Br)cn1 2075992198 OZLIRAFYBDXQGH-UHFFFAOYSA-N 307.191 3.495 10 10 DGCE CC[C@@H](c1ccc(C)cc1O)n1nc(C(C)(C)C)c(CO)c1N 2079027399 SYTAYJDFDPJFAY-AWEZNQCLSA-N 317.433 3.269 10 10 DGCE CNCc1ccc(N2CCC(Cl)=C(Cl)C2)cc1OC 2139682692 KYDPNOBDAJCNPJ-UHFFFAOYSA-N 301.217 3.314 10 10 DGCE CN1[C@H]2CC[C@@H]1C[C@@H](NCc1cc(Cl)cc(Cl)c1O)C2 2154908529 GKYOWFFILSFXBB-XYYAHUGASA-N 315.244 3.414 10 10 DGCE CCNCc1cc(F)c(N(C)[C@H]2CS[C@H](C)C2)c(F)c1 2189463180 SYKWZPCOTNXKNX-ZYHUDNBSSA-N 300.418 3.405 10 10 DGCE C[C@H](c1ccccc1O)N(C)c1nc(C(F)(F)F)ns1 2192597250 CYSJCBFQGZMZBW-SSDOTTSWSA-N 303.309 3.460 10 10 DGCE C[C@@H](N)c1ccc(N2CC[C@@H](c3nncs3)C2)cc1Cl 2196550235 ZUJMTRVUIZPMQA-NXEZZACHSA-N 308.838 3.205 10 10 DGCE CC=C[C@@H](C)NCc1c(Br)ccc(OC)c1O 2214882152 BIYUYHFJRKKOQY-SECBINFHSA-N 300.196 3.218 10 10 DGCE CN[C@H](C)c1ccc(N2CC(SC(F)(F)F)C2)cc1O 2237490124 AMEQTIJWYSFDTO-MRVPVSSYSA-N 306.353 3.114 10 10 DGCE CC(C)(C)OC(=O)NC[C@@]1(C)CCC[C@]1(N)c1ccccc1O 2244466434 JYNOMHPSYRLDCO-MSOLQXFVSA-N 320.433 3.261 10 10 DGCE C[C@H](NCc1ccc(N)cc1)[C@@H]1CCCN1C(=O)OC(C)(C)C 2244473574 HRHRPRUVNPWWCL-BBRMVZONSA-N 319.449 3.146 10 10 DGCE CC1=NN(c2ccccc2C)C(=O)C1=CNc1ccc(O)cc1 2297322363 WWVOHJYENBGNBH-UHFFFAOYSA-N 307.353 3.419 10 10 DGCE Cc1ccc(CNC2(CCF)CC2)c(O)c1Br 2307569235 HOJMNWMWIJZNDR-UHFFFAOYSA-N 302.187 3.445 10 10 DGCE COc1cc(NC(=O)C=Cc2ccc(O)c(O)c2)ccc1Cl 2312369184 SEAIVMRTULXLFA-UHFFFAOYSA-N 319.744 3.412 10 10 DGCE Cc1cccc2nc(C(=O)O)c(N=Nc3ccccc3C(=O)O)n12 2320772275 YSVHIGLYHPLOII-UHFFFAOYSA-N 324.296 3.455 10 10 DGCE Cc1ccc(CN[C@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]4C3)c(O)c1Br 2327618684 MODFDVLJAGNCTC-HNRZYHPDSA-N 308.219 3.207 10 10 DGCE CSc1ncc(CNCc2snnc2C(C)(C)C)s1 2335995628 GFMLNRKPZNYRBO-UHFFFAOYSA-N 314.505 3.304 10 10 DGCE COC(=O)C1=C(C)N(C)C(=O)/C1=C/c1cccc2ccccc12 6172134 WZVXOEVGGUGJPW-LFIBNONCSA-N 307.349 3.142 10 10 DGCE Cc1cccc(N2CCN(CCc3ccc(N)cc3)CC2)c1C 41139163 VANLVWPSEQJDPY-UHFFFAOYSA-N 309.457 3.250 10 10 DGCE COc1cccc(CNC(=O)CSc2ccccc2C)c1O 68488860 KMLGNNZEGKPVGV-UHFFFAOYSA-N 317.410 3.118 10 10 DGCE COc1ccc(N2CCC(=O)[C@@H](C)[C@@H]2C)cc1Br 93036014 ZUUFOBUGGYDZHK-UWVGGRQHSA-N 312.207 3.262 10 10 DGCE C[C@@H]1CN(Cc2cc(Br)ccc2O)CCS1 131301579 AFAPCOAJPXZEQF-SECBINFHSA-N 302.237 3.092 10 10 DGCE Oc1cccc(CNCc2sccc2Br)c1O 148029892 SWRSBFGHRMLGCW-UHFFFAOYSA-N 314.204 3.212 10 10 DGCE COc1ccc(CN(C)Cc2cc(F)c(F)c(F)c2)c(O)c1 181012709 PJAYQCBGLVTFFZ-UHFFFAOYSA-N 311.303 3.450 10 10 DGCE CCN(CC)c1ccc(CN2CCC[C@@H]2Cn2ccnc2)cc1 188399981 MWAHAWUXBNXBLJ-LJQANCHMSA-N 312.461 3.394 10 10 DGCE CC(=O)N(C(=O)OCc1ccc(F)cc1)c1ccc(N)cc1 243811087 QQNDWYZIMJBAOZ-UHFFFAOYSA-N 302.305 3.098 10 10 DGCE C[C@H](N[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c1cc(O)ccc1O 381660621 AIFLIQNHYBLCTO-TUAOUCFPSA-N 324.421 3.050 10 10 DGCE C[C@H](CNCc1cccc(F)c1O)COCc1ccccc1 389963583 KDBBXNFWLHQXPX-CQSZACIVSA-N 303.377 3.474 10 10 DGCE CC1(C)SC[C@@H]1NCc1cc(Br)ccc1O 390610836 FBSOZVJLNFSNFC-NSHDSACASA-N 302.237 3.138 10 10 DGCE CCOc1ccc(CNC[C@@H]2CCN2C2CCCCC2)c(O)c1 527751684 KLPUPRBJSIJCKJ-KRWDZBQOSA-N 318.461 3.288 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)c2cnc(Cl)c(Cl)c2)C1 701297338 SANUZOKWDNOWCM-QMMMGPOBSA-N 300.149 3.303 10 10 DGCE Oc1c(F)cc(Br)cc1CN[C@@H]1CC=CCC1 715747956 XXCBVKFRGFIIII-LLVKDONJSA-N 300.171 3.492 10 10 DGCE COC1(C(F)(F)F)CN(c2ccc([C@@H](C)O)cc2Cl)C1 724176648 QPVQDDOBKNUJNG-MRVPVSSYSA-N 309.715 3.161 10 10 DGCE CO[C@H](C)CN(C(=O)NCc1ccc(N(C)C)cc1C)C(C)C 741089948 XJUURTMFBSTSBJ-OAHLLOKOSA-N 321.465 3.016 10 10 DGCE Cc1cc(O)ncc1NC(=O)c1cc(C)n(-c2ccccn2)c1C 755458654 GBEMKWICVJDYPI-UHFFFAOYSA-N 322.368 3.150 10 10 DGCE COC(=O)/C=C\c1ccc(N2CC[C@H](C(C)C)C2)c([N+](=O)[O-])c1 756141832 ZAULWCNYPQQALG-VSKVDJIOSA-N 318.373 3.263 10 10 DGCE CC(C)(C)[C@H]1CCN(Cc2cc(Cl)cc(F)c2O)C[C@H]1O 757865387 GBWWKERSEQOXHU-GXTWGEPZSA-N 315.816 3.414 10 10 DGCE Cc1cc(C(=O)OC[C@@H](C)CO)c(C)n1-c1ccc(F)cc1 766660868 JOIZYNMHRIDABE-NSHDSACASA-N 305.349 3.018 10 10 DGCE COc1ccc(O)c([C@H](C)Nc2cc(C)cc(OCCO)c2)c1 774507503 FAPDILRBNKMLNM-ZDUSSCGKSA-N 317.385 3.253 10 10 DGCE Cc1cc(C)c([N+](=O)[O-])c(NCc2ccc(N(C)C)c(F)c2)n1 781663205 ZBOLZLQMBRXDRB-UHFFFAOYSA-N 318.352 3.424 10 10 DGCE Fc1cc(CN[C@H]2CC[C@H]2C2CCC2)ccc1N1CCOCC1 800968132 XQAHQCOIJXQIMH-WMZOPIPTSA-N 318.436 3.331 10 10 DGCE CCCN(CCC)c1ccc(CNC2CCN(OC)CC2)cc1 817419245 RPYLYTLBKALHJV-UHFFFAOYSA-N 319.493 3.428 10 10 DGCE COc1ccc(N2CCN(C(=O)CCCC(C)C)CC2)cc1F 826777833 JTJABLGOVQFONQ-UHFFFAOYSA-N 322.424 3.309 10 10 DGCE C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)Nc1ccc(N)cc1 841299795 OEFLUDIWGRECTC-NXEZZACHSA-N 301.312 3.464 10 10 DGCE CC[C@@H](NCc1cnc(C(F)(F)F)nc1)c1ccccc1O 844313389 QWAASIIRJXIROV-GFCCVEGCSA-N 311.307 3.442 10 10 DGCE CC(C)(C)N1CC[C@@H]1CNCc1c(O)ccc(Cl)c1F 850343900 SZDOIQQNUDFXLW-SNVBAGLBSA-N 300.805 3.147 10 10 DGCE COc1ccc(N(CC(C)C)C[C@@H](OC)[C@H]2CCOC2)cc1 851829490 IFNSNMAHWQQCSH-MAUKXSAKSA-N 307.434 3.209 10 10 DGCE CCN1C(=O)/C(=C/c2ccc(C(F)F)nc2)SC1=S 864363234 NUEXPGBMVWBAEP-UITAMQMPSA-N 300.355 3.240 10 10 DGCE Cc1ccc(C(=O)N2CC(C)(C)[C@@H]2c2ccco2)c(O)c1O 869786736 BACBQGTZVYGBRO-HNNXBMFYSA-N 301.342 3.223 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@@H]2CCCCN21 901053844 SOZJXUBMOCUUMN-IRXDYDNUSA-N 316.445 3.148 10 10 DGCE c1cc(N2CCOCC2)ccc1CNCC[C@@H]1C[C@H]1C1CC1 922429020 NLRFBKDBPQMVQZ-MJGOQNOKSA-N 300.446 3.049 10 10 DGCE CCOc1ccc(O)c(CN[C@@H](c2cnn(C)c2)C(C)C)c1 922893412 HELPDLYEGPDYGD-QGZVFWFLSA-N 303.406 3.011 10 10 DGCE Cc1cc(Cl)cc([C@@H](C)NC[C@H]2CNCCC2(F)F)c1O 925776481 KRXCGBZOZSSTRF-GHMZBOCLSA-N 318.795 3.249 10 10 DGCE Cc1cc(N(C)C)ccc1NC(=O)N1Cc2cccc(O)c2C1 929650289 VVACYVTXISBDOK-UHFFFAOYSA-N 311.385 3.314 10 10 DGCE Cc1cc(/C=C/C(=O)N2CCO[C@H](C)C2)c(C)n1-c1ccccc1 1087009293 CTFRSMOMXHNBEG-ZNFPLGDCSA-N 324.424 3.355 10 10 DGCE COc1ccc(N(C)CCCOc2ccc3c(c2)OCO3)cc1 1171746093 MDSHQMAPBBFQNF-UHFFFAOYSA-N 315.369 3.329 10 10 DGCE CCOc1ccc(N(CC)Cc2cncc(C(=O)OC)c2)cc1 1192012664 IGYDKPOAOFFDRC-UHFFFAOYSA-N 314.385 3.293 10 10 DGCE CCOCCC1(CNC(=O)N[C@@H](C)c2ccccc2O)CCC1 1332138924 YPCBJSONOPOWMU-AWEZNQCLSA-N 320.433 3.349 10 10 DGCE Cc1cccnc1/C=C/C(=O)NCc1cc(Cl)ccc1O 1557386096 CMOPDNOQSKNTQX-FNORWQNLSA-N 302.761 3.079 10 10 DGCE COc1ccc(Cl)cc1CC(=O)N[C@H](C)c1ccccc1O 1557966637 LHSQDIUEAVRHQX-LLVKDONJSA-N 319.788 3.474 10 10 DGCE CC(=O)c1cc(C(=O)NCc2cccc(Cl)c2O)ccc1C 1558757872 WEBIDYICUHZSRR-UHFFFAOYSA-N 317.772 3.487 10 10 DGCE C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(Cl)s1 1566880467 TZLHJHWHQLBPKD-MRVPVSSYSA-N 311.790 3.233 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)c1ccc(F)cc1F 1570532086 YHDZYFKGVTWDLH-UHFFFAOYSA-N 314.291 3.149 10 10 DGCE Cc1ccc(C(=O)Nc2cc[nH]n2)cc1-n1c(C)cc(C=O)c1C 1584084108 DJBWCYMBAAZMPA-UHFFFAOYSA-N 322.368 3.190 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)N[C@@H]2COC[C@H]2C)c1 1597046176 XYUOVKOVZRDNIM-CXAGYDPISA-N 312.413 3.167 10 10 DGCE CN(Cc1ccccc1O)c1ncc(Br)cc1F 1642458633 OZACUCUDBGPWBF-UHFFFAOYSA-N 311.154 3.325 10 10 DGCE O=C(NCc1c(O)cccc1F)c1cc(-c2ccccc2)on1 1646028355 GPHKNPUZLZGMFS-UHFFFAOYSA-N 312.300 3.116 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2C[C@@H]1CCCC2(CCC2)O1 1654010987 GTBPTWGLSLINIR-INIZCTEOSA-N 316.445 3.443 10 10 DGCE C[C@H]1CCCC[C@@H]1NN=Nc1ccc2c(c1)OCC(=O)N2C 1860493993 LMUBIFOZCZATBD-AAEUAGOBSA-N 302.378 3.209 10 10 DGCE NC[C@@]12CC[C@@H]1CN(c1ccc(OCc3ccccc3)cc1)C2 1899853894 YGLSXUFHXZCZPL-YLJYHZDGSA-N 308.425 3.441 10 10 DGCE CN(CCCN=[N+]=[N-])C(=O)c1cc(F)ccc1Br 1912164331 VWHTWJJNWVKPRJ-UHFFFAOYSA-N 315.146 3.361 10 10 DGCE C[C@@H](O)CN(Cc1ccccc1)c1ccc(CO)cc1Cl 1914609139 LZNYUSXAGUMEKE-CYBMUJFWSA-N 305.805 3.220 10 10 DGCE CCC[C@H](CNC(=O)OC(C)(C)C)NCc1ccc(N)cc1 1929716988 SBFWOKGOYHJNJY-OAHLLOKOSA-N 307.438 3.052 10 10 DGCE CC(C)(C)OC(=O)N[C@H]([C@H](N)c1ccccc1O)C1(C)CC1 1930444376 MDBPJBCDTLFZDI-ZIAGYGMSSA-N 306.406 3.085 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@](C)([C@@H](N)c2ccccc2O)C1 1936970144 JCAUGFKDLIUWDG-MAUKXSAKSA-N 320.433 3.429 10 10 DGCE CN(CCC[C@H](N)c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C 1977946156 UEXCFCKDJQHXML-INIZCTEOSA-N 321.465 3.400 10 10 DGCE CO[C@@H](CN(C)c1ccc(CN)cc1Br)C(C)C 2068260797 VYWTVUAAYMPGJW-AWEZNQCLSA-N 315.255 3.015 10 10 DGCE COC(=O)c1cc(C2CCCC2)nn1Cc1cc(C)ccc1O 2069870404 GTXIHQCGGMEEPU-UHFFFAOYSA-N 314.385 3.390 10 10 DGCE COc1ccc([C@@H](C)n2nc(C3CC3)cc2CN(C)C)c(O)c1 2070134865 PLGOGLNXXFLFDQ-GFCCVEGCSA-N 315.417 3.146 10 10 DGCE Cc1c(N(Cc2ccccc2O)C(=O)OC(C)(C)C)cnn1C 2081079684 GTTAMOWWYAFWRZ-UHFFFAOYSA-N 317.389 3.376 10 10 DGCE CC1(C)[C@@H](O)CC[C@@H]1NCc1cc(Cl)cc(Cl)c1O 2142138220 XSASGPVULOZGME-RYUDHWBXSA-N 304.217 3.338 10 10 DGCE CC(=O)c1cc(Cl)cc(CN(C)C[C@H]2CC2(F)F)c1O 2153640939 ZCMXSVYKLHGHTK-SNVBAGLBSA-N 303.736 3.335 10 10 DGCE CN(Cc1cc(Cl)cc(Cl)c1O)[C@H]1CCN2CC[C@H]1C2 2192729822 OWGBIAPBNMFJBH-HZMBPMFUSA-N 315.244 3.225 10 10 DGCE C[C@H](NCCc1conc1Br)c1ccccc1O 2223001413 QHSXXCOMMJSDDP-VIFPVBQESA-N 311.179 3.036 10 10 DGCE Nc1cccc(Br)c1N[C@@H]1CCCN(C2CC2)C1 2260330009 WZLLESBCYDTWNW-SNVBAGLBSA-N 310.239 3.070 10 10 DGCE Cc1ccc(CNC[C@H]2C[C@H]2CF)c(O)c1Br 2307476203 YPGAYIGIWSMZFW-WDEREUQCSA-N 302.187 3.158 10 10 DGCE Oc1cccc(Br)c1CNC[C@@H]1C[C@H]2C=C[C@@H]1C2 2309756346 MEUGQRJTQHETPO-TUAOUCFPSA-N 308.219 3.457 10 10 DGCE Cc1ncsc1C=CC(=O)N1CCc2c(F)cc(F)cc21 2310087520 VSEGIXAQOUEQFD-UHFFFAOYSA-N 306.337 3.332 10 10 DGCE CO[C@H]1CC[C@H](NCc2ccc(C)c(Br)c2O)C1 2327624734 UOANYUKFONSAKS-RYUDHWBXSA-N 314.223 3.120 10 10 DGCE Cc1ccc(C2=NC(=O)/C(=C/c3ccc(N(C)C)cc3)O2)cc1 5660161 ROBRERSUIBZPRE-ATVHPVEESA-N 306.365 3.406 10 10 DGCE CN(Cc1ccc(N)cc1)C(=O)c1cc2c(s1)CCCC2 35360085 GMMHVJQRGGCPNJ-UHFFFAOYSA-N 300.427 3.481 10 10 DGCE CN(Cc1ccc(N)cc1)C(=O)c1ccccc1Br 35360238 AEJFEIMCLUCBCZ-UHFFFAOYSA-N 319.202 3.304 10 10 DGCE CC[C@@H](Oc1ccc(N)cc1)C(=O)c1ccc(OC)cc1OC 40353993 OFTJHXYZTKWDKX-MRXNPFEDSA-N 315.369 3.326 10 10 DGCE CC(C)N[C@](CSc1nccs1)(C(=O)O)c1ccccc1 45596252 LQJLQPQVPCSFNB-HNNXBMFYSA-N 322.455 3.213 10 10 DGCE Cc1ccc(O)c(O)c1CC[C@@H]1C(=O)CC[C@]2(C)C(=O)CC[C@H]12 104886297 YUHVBHDSVLKFNI-KSMMKXTCSA-N 316.397 3.303 10 10 DGCE COc1ccc(-n2c(C)cc(CNC[C@H]3CCCO3)c2C)cc1 113704485 ZTTFZITYXIYBGX-LJQANCHMSA-N 314.429 3.371 10 10 DGCE CCN(C)c1ccc([C@H](C)NCCc2c(C)nn(C)c2C)cc1 124177544 BWRBOGIIZKHNQD-AWEZNQCLSA-N 314.477 3.386 10 10 DGCE C[C@H](N)c1ccc(N2CC[C@]3(O)CCCC[C@@H]3C2)cc1Cl 160489320 MYPCNZHBZWTIRW-OGHNNQOOSA-N 308.853 3.491 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)C(=O)Nc1cccc2[nH]ccc12 170025225 BWNFHPBMCBNGRD-LLVKDONJSA-N 310.353 3.396 10 10 DGCE O=[N+]([O-])c1ccc(O)c(CN(C[C@H]2CCCO2)C2CCCC2)c1 173578553 ZFYMDODOVXXHMC-MRXNPFEDSA-N 320.389 3.224 10 10 DGCE COc1ccc(O)c(CN[C@H](C)c2nc(C3CCCC3)no2)c1 191589299 NCHXFWSVQHOBOG-LLVKDONJSA-N 317.389 3.292 10 10 DGCE Oc1cc2c(cc1CN1CCCC[C@@H]1c1nccs1)OCO2 195303308 OYAHZRCRSDBDRD-GFCCVEGCSA-N 318.398 3.305 10 10 DGCE COc1ccc([C@@H](C)NC(=O)Nc2ccc(N)cc2)cc1OC 217313568 OBCPGQCYFRMDKU-LLVKDONJSA-N 315.373 3.169 10 10 DGCE CC[C@H](CO)NC(=S)N(c1ccccc1)c1ccc(N)cc1 243113583 JFZVICRGSHZFBS-CQSZACIVSA-N 315.442 3.052 10 10 DGCE C[C@H](C(=O)Nc1ccc(N)cc1)N(C)[C@H](C)c1cccs1 251230607 BFIMGDQEZBACNU-VXGBXAGGSA-N 303.431 3.350 10 10 DGCE COc1cc(N(C)Cc2ccc(F)nc2C)cc(OC)c1OC 278583592 HLDXCTSIIZNKER-UHFFFAOYSA-N 320.364 3.191 10 10 DGCE C[C@]12C[C@@H]1CCC[C@H]2NCc1ccc(N2CCOCC2)cc1 282371636 WNMYFBWXFAWFOZ-UHOSZYNNSA-N 300.446 3.192 10 10 DGCE NCc1ccc(N2CCCC(F)(F)C2)c(Br)c1 405178243 DAWJNNOSMFCNMC-UHFFFAOYSA-N 305.166 3.143 10 10 DGCE N[C@@H]1CCCCCN(Cc2cc(Cl)cc(Cl)c2O)C1 709038991 QALBFKZIMPCNBD-GFCCVEGCSA-N 303.233 3.402 10 10 DGCE C[C@@H](N)c1ccc(N2CC[C@H](CF)C2)cc1Br 711515133 SXZDIDGSJOUUEP-NXEZZACHSA-N 301.203 3.265 10 10 DGCE C[C@@H]1C[C@@H]1[C@H]1C[C@H]1NCc1cc(Br)cc(F)c1O 715738126 RHXVKNRCSPSLOW-DRBGRCKSSA-N 314.198 3.428 10 10 DGCE COCCOc1cccc(CN[C@H](C)c2cc(F)ccc2O)c1 756429327 GLIJBEJJULKYJK-CYBMUJFWSA-N 319.376 3.407 10 10 DGCE COc1cc(Br)cc([C@H](N)c2ccccc2)c1O 757132603 HUZROAKGSAXSHU-CYBMUJFWSA-N 308.175 3.211 10 10 DGCE CCC[C@@](C)(CO)NCc1cc(C)cc(Br)c1O 781631407 JQSLDCUDKKYAGU-AWEZNQCLSA-N 316.239 3.104 10 10 DGCE O=C(NCc1cc(Br)ccc1O)C1[C@H]2CCCC[C@H]12 804739643 MZSOARXOYUTLAW-RYUDHWBXSA-N 324.218 3.207 10 10 DGCE CN(C)c1ccc(/C=C/CNC[C@H](c2ccco2)N(C)C)cc1 835034922 ZVSDEMVDUQGJIX-SUQGKYDKSA-N 313.445 3.251 10 10 DGCE CN(C)c1ccc(/C=C\CNC[C@H](O)C2CCCCC2)cc1 835037114 NTXPQSKUAAJISG-RURPWVQCSA-N 302.462 3.297 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)CCc3ccccc3)C2)cc1 855234592 FVAJZPVGHFVZCP-QGZVFWFLSA-N 324.424 3.023 10 10 DGCE Cc1ccc(O[C@@H]2CCN(Cc3cc(Cl)ccc3O)C2)nc1 858010712 FKEGSIABYVQBOM-OAHLLOKOSA-N 318.804 3.402 10 10 DGCE Cc1nocc1CNC(=O)Cc1cc(C)n(-c2ccccc2)c1C 868670193 GLRIMLXHRZYIPV-UHFFFAOYSA-N 323.396 3.249 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)CC(F)(F)C(F)F 901051190 AEORXUDULQKAQZ-UHFFFAOYSA-N 307.287 3.421 10 10 DGCE CCCCN(CC)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] 931279482 DCTMCHISIWKYRE-CSKARUKUSA-N 306.362 3.407 10 10 DGCE O=C(NCc1ccc(O)c(O)c1)c1cc(C(F)F)ccc1F 1150377422 IPYMJZSZZUUFOY-UHFFFAOYSA-N 311.259 3.105 10 10 DGCE Cc1cccc(CN[C@@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)c1O 1168831295 UXGFYPNISQYHAB-UKRRQHHQSA-N 320.433 3.188 10 10 DGCE Cc1cccc(C(=O)NCc2c(O)ccc3ccccc23)c1O 1179030017 WSKLDPUXEXCFLN-UHFFFAOYSA-N 307.349 3.489 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1ccc2cccnn12 1179032214 ATHVKECUUNOIMG-UHFFFAOYSA-N 317.348 3.123 10 10 DGCE CC1(C)CO[C@H](CN(Cc2ccccc2O)C[C@@H]2CCCO2)C1 1192012753 JXWSEVNAYDYOAR-IRXDYDNUSA-N 319.445 3.188 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@@H]1CC12CCC2 1248470978 FPFGUSQHWNOBGD-QGZVFWFLSA-N 313.445 3.371 10 10 DGCE CCOc1ccc(N2CCN(C(=O)/C=C/C(C)(C)C)CC2)cc1 1319397485 PPMNPBSSARRZAR-ZHACJKMWSA-N 316.445 3.336 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)c2cccc3ccncc23)c1 1465993781 WUEQHKNBKFYXKD-LBPRGKRZSA-N 322.364 3.440 10 10 DGCE CCN(CC)c1ccc(CNC(=O)CCCn2cccc2)cc1 1544580846 URLAQXCNTJVJBV-UHFFFAOYSA-N 313.445 3.431 10 10 DGCE Oc1ccc(CCNc2cc(-c3ccccc3)ncn2)cc1O 1559124922 CNEMFIJCNWVCIT-UHFFFAOYSA-N 307.353 3.209 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)C[C@H]1CCCC[C@@H]1O 1634011951 AADWCWBVURDIGT-WBVHZDCISA-N 319.445 3.462 10 10 DGCE C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1O 1643745317 KWHDGKNKFMHIOT-VIFPVBQESA-N 320.732 3.445 10 10 DGCE O=C(NCc1cccc(Cl)c1O)C(F)(F)c1ccccc1 1653567137 LZZMSYPQITVFKN-UHFFFAOYSA-N 311.715 3.454 10 10 DGCE COc1ccc(CN[C@H](C)CN(C)C(=O)C=C2CCC2)cc1C 1676330663 NTCRPOYPEOSJKN-OAHLLOKOSA-N 316.445 3.050 10 10 DGCE COc1ccc(CNC[C@@H](C)NC(=O)C2CCCCC2)cc1C 1716387214 LRFNLTVWVABBDA-OAHLLOKOSA-N 318.461 3.178 10 10 DGCE O=C1/C(=C\c2ccccn2)C(C(F)(F)F)=NN1c1ccccc1 1865672601 GADYDTCATRWYDJ-RAXLEYEMSA-N 317.270 3.430 10 10 DGCE CN(Cc1cc(N)cc(Br)c1)Cc1ccccc1O 1877516981 BSWGZABGTBUMNX-UHFFFAOYSA-N 321.218 3.369 10 10 DGCE Oc1ccc(CNCc2cscc2Br)cc1O 1948478844 PIZZUXAXDZTDGS-UHFFFAOYSA-N 314.204 3.212 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CCNc2ccc(N)cc2)C1 1961651304 CXCRMAHDOAQKLQ-JNSHFYNHSA-N 305.422 3.374 10 10 DGCE CC(C)(C)OC(=O)N[C@@]1(C)CCCN(CCCCN=[N+]=[N-])C1 1962287209 GQQWDRBEILYEPE-HNNXBMFYSA-N 311.430 3.456 10 10 DGCE COc1cccc(O)c1CN[C@H]1CC[C@H]1OCc1ccccc1 1976859595 XUDXTTUTYOGDTD-QFBILLFUSA-N 313.397 3.238 10 10 DGCE C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CCN1c1ccc(N)cc1 1977967986 LZCOLMVJTFFNIU-KGLIPLIRSA-N 319.449 3.398 10 10 DGCE BrC1=CCN(c2ccc(CNC3CC3)cc2)CC1 2031538118 XAUFOCKRYSLZBN-UHFFFAOYSA-N 307.235 3.428 10 10 DGCE NCc1ccc(N2CCCC[C@@H](F)C2)c(F)c1Br 2034860394 UMVMLCHHJPLXGM-SNVBAGLBSA-N 319.193 3.375 10 10 DGCE COc1ccc(O)c([C@@H](C)n2nc(C3CCCC3)cc2CN)c1 2070138902 XIZWULKKJFBNGK-GFCCVEGCSA-N 315.417 3.323 10 10 DGCE CC(C)Cc1cc(N)n(Cc2ccc(Br)cc2O)n1 2070171144 XVOSGUBNXWIXGY-UHFFFAOYSA-N 324.222 3.180 10 10 DGCE Cc1ccc([C@@H](C(C)C)n2nc(C(F)F)c(C=O)c2N)c(O)c1 2079062590 SANAPSNEAIFKJV-CQSZACIVSA-N 323.343 3.475 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@@H]1C[C@H]2O[C@H]1[C@@H]1C[C@H]21 2144067079 ZTQRYHLTHHBGFC-ATYMOLOSSA-N 314.212 3.212 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@]12COC[C@@H]1C2(F)F 2161887400 ONMRZEWSKNLDJJ-JQWIXIFHSA-N 324.154 3.070 10 10 DGCE CO[C@]1(CN(C)c2ccc([C@H](C)O)c(Cl)c2)CCSC1 2186186185 QATAOEXUSFMAHB-NHYWBVRUSA-N 315.866 3.352 10 10 DGCE Cc1cccc(CNc2c(Br)c(C)nn2C)c1O 2219652913 DTRODNRVZSKIKU-UHFFFAOYSA-N 310.195 3.117 10 10 DGCE CN(c1cc(Br)c(CN)cc1F)[C@H]1C[C@@H]2C[C@@H]2C1 2222655778 URDSWCHOBVNYAO-DOFRTFSJSA-N 313.214 3.282 10 10 DGCE CNCc1ccc(N2CCC[C@H]2COC(F)F)cc1Cl 2236746953 UNCFDLSCOMPSLB-LBPRGKRZSA-N 304.768 3.267 10 10 DGCE Cc1ccc(C=C2C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)o1 2297354050 BXUBDHGZWHUYOW-UHFFFAOYSA-N 316.744 3.011 10 10 DGCE C[C@@H]1CCCCN1N=Nc1ccc(N2CCN(C)CC2)cc1 2330217334 TYERHHDJEDSVKG-OAHLLOKOSA-N 301.438 3.312 10 10 DGCE COc1cc(C=C2C(=O)N(CC(C)C)N=C2C)cc(Cl)c1O 2332139956 LWOOUALZFASUPJ-UHFFFAOYSA-N 322.792 3.312 10 10 DGCE CC(C)N[C@@](CO)(CCC1CC1)CSc1nccs1 2340703332 KNTXQHFPBFWNIQ-CQSZACIVSA-N 300.493 3.155 10 10 DGCE [N-]=[N+]=NCCN[C@H](C(=O)O)c1cc(F)c(Cl)cc1Cl 2349918418 VZGJZXCDOUMLKI-VIFPVBQESA-N 307.112 3.158 10 10 DGCE CN(C(=O)Nc1ccc(N)cc1)[C@H]1CCN(Cc2ccccc2)C1 310155937 QDWZZWWCQVKIOK-SFHVURJKSA-N 324.428 3.007 10 10 DGCE C[C@@H]1C[C@H]1CN(C)c1cc(Br)c(CN)cc1F 310331306 YSYLMAOZOCGVIF-SCZZXKLOSA-N 301.203 3.139 10 10 DGCE O=C1NC(=S)S/C1=C/c1ccc(F)cc1OC(F)(F)F 119540277 YWFSWOHMTDTKSP-FPYGCLRLSA-N 323.292 3.213 10 10 DGCE CCN[C@H](C)c1ccc(N(CCO)Cc2ccccc2)c(F)c1 302932827 PGLKTQPAZRKOFH-OAHLLOKOSA-N 316.420 3.495 10 10 DGCE C[C@H](N[C@@H](C)c1ccccc1O)c1cn(-c2ccccc2)nn1 179896079 QXANHHVYILGFLB-KBPBESRZSA-N 308.385 3.385 10 10 DGCE CN1CCCc2cc(CNC(=O)N3CCCC3(C)C)ccc21 77522096 IKLPIXNJBPRUBB-UHFFFAOYSA-N 301.434 3.153 10 10 DGCE C[C@H](Nc1cccnc1Br)c1cc(O)ccc1O 235546165 LIEPBDFVTFQUGY-QMMMGPOBSA-N 309.163 3.428 10 10 DGCE Cc1cccc(/C=C/C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 186418972 APTOUCJWGUWTAS-RCQQVGEISA-N 311.381 3.167 10 10 DGCE NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(O)cc1O)N2 226634712 RABVUMJFFGARJV-VFVRVIDISA-N 322.364 3.023 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](CCNCc2ccccc2O)C1 223456790 HSCMIXJKRJNURU-AWEZNQCLSA-N 320.433 3.129 10 10 DGCE COC[C@H](C)CNC(=O)c1cc(C)n(-c2ccccc2)c1C 149154506 QFMYOHSDYYRBHO-CYBMUJFWSA-N 300.402 3.106 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)N[C@@H]1C[C@H]1c1ccsc1 528276782 CUERMZIASSANPN-QWHCGFSZSA-N 322.817 3.462 10 10 DGCE CC[C@H](NCc1ccc(CO)c(F)c1)c1ccc(F)cc1O 286244184 UBWMGWWXKYMALF-INIZCTEOSA-N 307.340 3.404 10 10 DGCE CC[C@H](N[C@@H](C)c1ccc(N(C)CC)cc1)[C@@H](O)C(F)F 296633482 XNHBYCAMWDXOGU-TUKIKUTGSA-N 300.393 3.198 10 10 DGCE CC[C@@H](NCc1ccccc1O)C1CN(C(=O)OC(C)(C)C)C1 716105739 MZGJCMJCSBRILV-OAHLLOKOSA-N 320.433 3.127 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc[nH]c1C1CCC1 813513625 QPTYGDFDCXPMBO-NSHDSACASA-N 314.385 3.054 10 10 DGCE CCN(C)c1ccc([C@H](C)NC[C@H]2CC[C@H](C(N)=O)CC2)cc1 817584935 BDCIVVWDNKEMAH-ZOBUZTSGSA-N 317.477 3.085 10 10 DGCE CN(C)c1ccc(/C=C\CNCc2ccc(N(C)C)nc2)cc1 835036073 MWEVMOOPFXKYID-WAYWQWQTSA-N 310.445 3.017 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)C[C@H](C)n1ccc(C)n1 830141258 QACCSPYRLNMTPJ-HNNXBMFYSA-N 315.417 3.287 10 10 DGCE CC(C)[C@H](N)CCN[C@@H](C)c1cc(Br)ccc1O 854230452 QJNPUFVTOIJRHB-GXFFZTMASA-N 315.255 3.179 10 10 DGCE Cc1ccc(C(=O)Nc2cc(C)n([C@H](C)C3CC3)n2)c(O)c1O 752820393 MALBPKLBRUGKDY-LLVKDONJSA-N 315.373 3.134 10 10 DGCE CC(C)[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)C1CC1 852137916 AVGOLJWIVMXEST-SFHVURJKSA-N 313.445 3.297 10 10 DGCE Cc1ccc(O[C@@H]2CCN(Cc3c(O)cccc3Cl)C2)nc1 858010831 GYRAUDIOFYSEJL-CYBMUJFWSA-N 318.804 3.402 10 10 DGCE COC(=O)/C=C\c1ccc(N2[C@H]3C=CC[C@H]2CC3)c([N+](=O)[O-])c1 751958154 GJSCZUXWVBSSLT-VYFJBJRGSA-N 314.341 3.078 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)NCC[C@H]2CCCS2)c1 868977314 ORPBVRSUZWNUHV-DGCLKSJQSA-N 324.446 3.047 10 10 DGCE C/C=C/C[C@H](NCc1cc(Cl)cc(F)c1O)C(=O)OCC 763360456 DPQACLADJYLRIE-LQPUYASZSA-N 315.772 3.172 10 10 DGCE COc1cccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1F 773011093 VYUNAXHMZWWWCB-LBPRGKRZSA-N 316.376 3.391 10 10 DGCE O=C(NCc1ccc(O)c(O)c1)c1coc(C2CCCCC2)n1 777275757 SHUMLUDQSLMDFN-UHFFFAOYSA-N 316.357 3.064 10 10 DGCE C[C@H]1[C@@H](C(F)(F)F)CCCN1Cc1cc2c(cc1O)OCO2 776012679 IPWVUHSOKOGNNH-ONGXEEELSA-N 317.307 3.284 10 10 DGCE Oc1ccc(Cl)cc1CNCc1ccnc(OC(F)F)c1 790634278 FHJQOCAIIHRIPN-UHFFFAOYSA-N 314.719 3.332 10 10 DGCE CN[C@@H](C[C@@H]1CCN1C(=O)OC(C)(C)C)c1ccccc1O 1960445574 LLDUKNBXGIDYOO-JSGCOSHPSA-N 306.406 3.052 10 10 DGCE C[C@H](NC(=O)c1ccc(-c2ccco2)nc1O)c1ccccc1O 1302532562 JCOQISRXXMXZFX-NSHDSACASA-N 324.336 3.244 10 10 DGCE Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CC[C@@H](F)C1 1304794496 LCPJNBVEAZWVGQ-UKRRQHHQSA-N 318.396 3.067 10 10 DGCE CCCCC(=O)N1C[C@H](C)[C@H](NCc2ccc(OC)c(C)c2)C1 1327828438 NHGUMKJPVRBXLW-DOTOQJQBSA-N 318.461 3.130 10 10 DGCE C/C(=C/C(=O)NCc1c(O)cccc1O)c1cccc(Cl)c1 1178910533 FVBCKPBCXBKABI-FLIBITNWSA-N 317.772 3.471 10 10 DGCE Cc1cc(O)c(CNCCc2nc(C(C)C)no2)c(Cl)c1 1326045512 HWFQENIKCPLHQX-UHFFFAOYSA-N 309.797 3.193 10 10 DGCE O=C(CSc1nc2ncccc2s1)c1ccc(O)c(O)c1 1189913376 ZTPMVAMTQUNAIY-UHFFFAOYSA-N 318.379 3.078 10 10 DGCE CN(C(=O)/C=C/c1cn(C)cn1)c1c(Cl)cccc1Cl 1266441022 QFKIHYZKKKJNJX-VOTSOKGWSA-N 310.184 3.403 10 10 DGCE CCC[C@H](C)C(=O)N1CC[C@H](NCc2ccc(OC)c(C)c2)C1 1267008030 YRJKGKWLEITVPN-YOEHRIQHSA-N 318.461 3.130 10 10 DGCE COC1(C(=O)NCc2ccc(N(C)C)cc2)CCCCCC1 1355879480 XXDJPZSSIXVVSG-UHFFFAOYSA-N 304.434 3.108 10 10 DGCE Cc1ncccc1/C=C\C(=O)N(C)c1cccnc1N1CCCC1 1457362899 AYSMBGGJLSKGRJ-KTKRTIGZSA-N 322.412 3.061 10 10 DGCE CCC[C@H](Cc1ccccc1)NC(=O)Cc1ccc(O)c(O)c1 1292782069 SCZNEBABQZKZNX-MRXNPFEDSA-N 313.397 3.168 10 10 DGCE CCc1cc(=NC(=O)c2ccc(C)c(O)c2O)c2ccccc2[nH]1 1466809725 QBNIDLJONSNCFX-UHFFFAOYSA-N 322.364 3.191 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)Nc1nc(C2CCC2)cs1 1618197960 KKPQGOVLJXUTSK-UHFFFAOYSA-N 304.371 3.003 10 10 DGCE C[C@H](NCc1nnc(-c2cccc(F)c2)o1)c1ccccc1O 1473722312 HMWJJWMUNRPNKA-NSHDSACASA-N 313.332 3.432 10 10 DGCE Cc1ccccc1[C@H]1CCCN1C(=O)Cc1ccc(O)c(O)c1 1625179150 KVMRWKFQQWTFCZ-MRXNPFEDSA-N 311.381 3.312 10 10 DGCE CCOc1ccc(N(CC)Cc2cc(O)nc(C3CC3)n2)cc1 1642199360 DBPXBCILNBQJTR-UHFFFAOYSA-N 313.401 3.485 10 10 DGCE CCN(CC(C)=O)C(=O)c1cc(C)n(-c2ccccc2C)c1C 1641389115 YSSMRRSRVMUESU-UHFFFAOYSA-N 312.413 3.454 10 10 DGCE CCN[C@]1(CO)C[C@@H](Sc2nccs2)CC(C)(C)C1 2127165838 RBGUMZGFPDXILV-SMDDNHRTSA-N 300.493 3.155 10 10 DGCE CCNCc1ccc(N(Cc2ccccc2)C[C@H](C)O)c(C)c1 1914637671 LTJHHTZVPORGPB-KRWDZBQOSA-N 312.457 3.492 10 10 DGCE [N-]=[N+]=N[C@@H]1CCN(C(=O)c2ccsc2Br)C1 1912207656 LXRBOLBFVUGQPC-ZCFIWIBFSA-N 301.169 3.035 10 10 DGCE CC(C)(CO)N(Cc1ccccc1)c1ccc(CO)cc1F 1915629458 BYHXDILOGZNINK-UHFFFAOYSA-N 303.377 3.096 10 10 DGCE C[C@H](CC[C@H](N)c1ccccc1O)CNC(=O)OC(C)(C)C 1928463897 AEFBXGILUPNUIK-OCCSQVGLSA-N 308.422 3.333 10 10 DGCE Oc1cc(Cl)ccc1CN[C@H]1CCN(Cc2ccccc2)C1 1928564853 VZHJAPBMOLMBBE-KRWDZBQOSA-N 316.832 3.410 10 10 DGCE CCCN[C@H](c1ccccc1O)C1CN(C(=O)OC(C)(C)C)C1 1936987551 SYISTUWZPXAOPF-INIZCTEOSA-N 320.433 3.300 10 10 DGCE Cc1cccc(O)c1CN[C@@H](C)CCN(C)C(=O)OC(C)(C)C 1980090057 LJPRFSSNKSTZIA-AWEZNQCLSA-N 322.449 3.436 10 10 DGCE Nc1ccc(CC(=O)OCc2cccc(Br)c2)cc1 41098483 BPQLJPSFCOKVKR-UHFFFAOYSA-N 320.186 3.317 10 10 DGCE CCNCc1cnc(Sc2ncnc3ccccc23)s1 2155313323 JUWZMBPGUPUHFI-UHFFFAOYSA-N 302.428 3.347 10 10 DGCE C[C@@H](N)c1cnc(Sc2nnc(C3CC3)n2C2CC2)s1 2159809021 JAYXSMXLSGTUDD-SSDOTTSWSA-N 307.448 3.118 10 10 DGCE Oc1ccc(CNCc2ccc(Cl)c(Cl)c2)c(O)c1O 689237079 SRJSGKFICHVXSO-UHFFFAOYSA-N 314.168 3.400 10 10 DGCE O=C1N=C(N2CCCCC2)SC1=Cc1ccccc1[N+](=O)[O-] 2053512169 UTQUOQBTFZIWLP-UHFFFAOYSA-N 317.370 3.051 10 10 DGCE C[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)C[C@H]1C(=O)O 693494238 HYOMNDODUQMEFA-LDYMZIIASA-N 318.200 3.242 10 10 DGCE CC(C)OCCN(C)Cc1cc(Br)cc(F)c1O 715724798 LNILYGCXGKVHDY-UHFFFAOYSA-N 320.202 3.151 10 10 DGCE Nc1ccc(CCC(=O)NCCc2ccsc2Cl)cc1 2195409227 JJZANKFZRBAXQE-UHFFFAOYSA-N 308.834 3.275 10 10 DGCE C[C@H](N[C@@H]1CS[C@H](C(F)(F)F)C1)c1ccc(O)cc1O 2189219537 BQKCJPQYNBLFTM-UBJUHAIHSA-N 307.337 3.185 10 10 DGCE CN[C@@H](c1ccc(N(C)C)cc1)c1cc(Br)co1 2049669901 OKVQVZPDKUOWQL-AWEZNQCLSA-N 309.207 3.417 10 10 DGCE CN(C)c1ccc([C@@](C)(O)c2cncc(Br)c2)cc1 2106797756 DNFUNECOYVARKG-OAHLLOKOSA-N 321.218 3.166 10 10 DGCE CC1(C)CCC(S(=O)(=O)N2CCC[C@H](N=[N+]=[N-])C2)CC1 2239983793 BQQMWQLJFBSQJO-NSHDSACASA-N 300.428 3.060 10 10 DGCE CSc1ncc(CN=c2cc(Cl)nc(C(C)C)[nH]2)s1 2269279369 QOCOKNHKMGOATA-UHFFFAOYSA-N 314.867 3.466 10 10 DGCE CCC(F)(F)CCSC[C@@H](O)COc1ccc(N)cc1 2283718360 KSNLIYPHNUJMBM-LBPRGKRZSA-N 305.390 3.177 10 10 DGCE COc1cccc(NCc2cnc(SC)s2)c1[N+](=O)[O-] 2284506880 JFWUBXXIKUGYSY-UHFFFAOYSA-N 311.388 3.394 10 10 DGCE Cc1cc(Cl)cc(NC(=O)C=Cc2ccc(O)c(O)c2)c1O 2308006136 VTLGUDLQPLBHGS-UHFFFAOYSA-N 319.744 3.417 10 10 DGCE Cc1ccc(CNC[C@H](C)C(F)F)c(O)c1Br 2307566658 HWRSYOXLFYWLLO-QMMMGPOBSA-N 308.166 3.454 10 10 DGCE Cc1ccc(CN2CCO[C@@H](C)[C@H]2C)c(O)c1Br 2327581195 LNIFEXKVEJXXJD-MNOVXSKESA-N 314.223 3.072 10 10 DGCE Cc1cc(/C=C/C(=O)NCC2(C)COC2)c(C)n1-c1ccccc1 112618196 YAMRBKCYGRFRJT-MDZDMXLPSA-N 324.424 3.260 10 10 DGCE Nc1ccc(N(C(=O)c2cnc(O)cc2O)c2ccccc2)cc1 170236103 FXQFHLAYAMYIKU-UHFFFAOYSA-N 321.336 3.054 10 10 DGCE COc1cc(N(C)Cc2ccccc2O)c([N+](=O)[O-])cc1F 302605128 CYHIKVQMLCFXRP-UHFFFAOYSA-N 306.293 3.085 10 10 DGCE COc1cc(CNC2CCC2)cc(Sc2nccs2)n1 2364713489 ZWBNIIXRZJDZAI-UHFFFAOYSA-N 307.444 3.340 10 10 DGCE CC(C)(C)[C@H]1CCN(c2cc3c(cc2Cl)[C@@H](N)C(=O)N3)C1 228731581 IYYPUFFANXWSLZ-LKFCYVNXSA-N 307.825 3.164 10 10 DGCE C[C@H](NCc1cccc(Br)c1O)c1ccncc1 42411763 NTYPNQCQHAYYBL-JTQLQIEISA-N 307.191 3.401 10 10 DGCE CN(C(=O)/C=C/c1cccc2cccnc12)c1ncccc1F 131031502 RWHNSGQAWPQOQB-MDZDMXLPSA-N 307.328 3.445 10 10 DGCE CCc1cccnc1CNCc1cc(Cl)cc(OC)c1O 229053711 JXYLSFWYBWDJHV-UHFFFAOYSA-N 306.793 3.301 10 10 DGCE N[C@@H]1C(=O)Nc2cc(N3CC[C@@H]4CCCC[C@@H]43)c(Cl)cc21 226617462 RUOACPLIGYGGKO-FGEZKYSXSA-N 305.809 3.061 10 10 DGCE C[C@H]1CN(c2ccc([C@H](C)N)c(Br)c2)CCS1 235512312 OORKDVHILLWSNY-UWVGGRQHSA-N 315.280 3.411 10 10 DGCE C[C@@H](c1ccccc1O)N1CCc2sccc2[C@H]1C(=O)O 251542478 OYWWYKBZLLVPRX-BONVTDFDSA-N 303.383 3.199 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)c1ccnc2[nH]cnc12 282609198 YSBPKZRDHIRSJN-UHFFFAOYSA-N 324.384 3.106 10 10 DGCE COc1ccc(CNCC2(NC(=O)OC(C)(C)C)CC2)cc1C 1179677480 RUULGDWBQURJGP-UHFFFAOYSA-N 320.433 3.151 10 10 DGCE C[C@H]1CCN(Cc2cc(Cl)c(F)cc2O)C[C@@H]1n1ccnc1 294434610 XNEGPKNLIXEQKY-NHYWBVRUSA-N 323.799 3.464 10 10 DGCE C[C@H](c1cc(Br)cc(Cl)c1O)N1CCOCC1 575303112 WXIYTLCXZKIYIZ-MRVPVSSYSA-N 320.614 3.201 10 10 DGCE CC[C@H]1[C@H](CO)CCN1Cc1ccc(N2CCCCC2)cc1 824636291 OODMAUSOOCOSBT-HKUYNNGSSA-N 302.462 3.270 10 10 DGCE C[C@@H](N[C@H]1COCC1(C)C)c1cc(Br)ccc1O 834906243 YQBWXXXJQZJRDR-RNCFNFMXSA-N 314.223 3.230 10 10 DGCE COCC(C)(C)CC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C 839922565 VKYNFASVUDKVPA-HNNXBMFYSA-N 320.477 3.171 10 10 DGCE CC(C)(C)OC(=O)[C@@H]1CC[C@H](NCc2cc(F)ccc2O)C1 843436237 GGXAISQYSSYVTK-RISCZKNCSA-N 309.381 3.131 10 10 DGCE CC1(C)CN(C(=O)Cc2ccc(N)cc2)CCc2ccccc21 851642295 XTAXWECOFORKKO-UHFFFAOYSA-N 308.425 3.174 10 10 DGCE CC[C@H](NCCc1cncc(C)n1)c1cc(Cl)ccc1O 850549604 HNYWEWQTIJQFEE-HNNXBMFYSA-N 305.809 3.427 10 10 DGCE C[C@@H](CNCc1cc(F)c(N(C)C)cc1F)c1ccccn1 858188044 PZDFRUYHWNWDPO-LBPRGKRZSA-N 305.372 3.319 10 10 DGCE COc1ccc(N2CC[C@@H](Nc3nc(Cl)cs3)C2)cc1 858621181 NTEZGSCOUHNEPX-SNVBAGLBSA-N 309.822 3.496 10 10 DGCE Cc1cccc(-n2c(C)cc(CNCc3cncnc3)c2C)c1 858292546 AWVGNUKGOWFHMT-UHFFFAOYSA-N 306.413 3.482 10 10 DGCE CCOc1ccc(O)c(CN(C)[C@H]2CCN(CC)[C@@H](C)C2)c1 769469589 AOIRVRAZZOMTDU-HOCLYGCPSA-N 306.450 3.096 10 10 DGCE CC[C@@H](OC1CCCCC1)C(=O)N1Cc2cccc(O)c2C1 871202800 GLLKBSJULGCLSS-QGZVFWFLSA-N 303.402 3.362 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CCC(=O)[C@H](C)C2)c1 779547270 NRIMWLCGAUUEPQ-CQSZACIVSA-N 324.424 3.454 10 10 DGCE CC1(C)CC[C@@H](CNCc2ccc(Br)cc2O)O1 691439645 IBEJVWKNBVUUFE-LBPRGKRZSA-N 314.223 3.202 10 10 DGCE COc1ccc(N(Cc2cnc(OC)nc2C)CC(C)C)cc1 799129053 MFUAIAWOUFNRME-UHFFFAOYSA-N 315.417 3.465 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)[C@H](O)C1CCCCC1 1597742184 HUZAFKTVDYTCII-GOSISDBHSA-N 313.397 3.103 10 10 DGCE Nc1ccc(CNC(=O)Nc2cccc(Br)c2)cc1 398524995 PDQSYOGRZKZQNA-UHFFFAOYSA-N 320.190 3.353 10 10 DGCE Fc1cccc(NC(=S)NCc2ccc(Cl)cn2)c1F 1323476610 WPUJVIUERXXUOR-UHFFFAOYSA-N 313.760 3.500 10 10 DGCE CS[C@H](C)CCNCc1c(O)cccc1Br 706881367 RJSQRLYBPCQEKE-SECBINFHSA-N 304.253 3.386 10 10 DGCE Oc1cccc(Br)c1CNC1C[C@@H]2[C@@H](C1)C2(F)F 706843849 FJDRBYKGNQZBJA-NXEZZACHSA-N 318.161 3.288 10 10 DGCE C[C@@H](O)c1ccc(N2CCC[C@H](F)C2)c(Br)c1 689389077 OOVHTNPLVPVDOS-KOLCDFICSA-N 302.187 3.441 10 10 DGCE CC1(C)C[C@H]1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1357322735 FRDOEAJSXFENBL-INIZCTEOSA-N 319.360 3.447 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)c2ccc(Cl)c(O)c2)c1 1465993976 ZZGVZUVLWHPCQS-VIFPVBQESA-N 321.760 3.251 10 10 DGCE CC/C(C)=C(\C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 1539707383 RDXPSTGOAUOBCN-JJJPLKNQSA-N 317.477 3.218 10 10 DGCE O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1Sc1nccs1 1611842936 VKILDUCAYOCXFN-UHFFFAOYSA-N 321.383 3.095 10 10 DGCE COc1ccc(CNCC[C@H](C)NC(=O)C=C2CCC2)cc1C 1716131422 OPLDJRJOVMMHJK-HNNXBMFYSA-N 316.445 3.098 10 10 DGCE C=C=CCNC(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1 1556751180 MPZIXSSYBLSBKI-UHFFFAOYSA-N 308.381 3.286 10 10 DGCE O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(F)c(O)c1 1624322543 YDMANOQUVYHVQN-UHFFFAOYSA-N 314.360 3.062 10 10 DGCE CCSc1ccc(CNC(=O)c2cccc(O)c2O)cc1 1651007073 UUONTDRVBQCPPS-UHFFFAOYSA-N 303.383 3.140 10 10 DGCE CC(=O)c1ccc(N(C)C(=O)/C=C\c2scnc2C)cc1 1596402432 VEDIXCHQCTYPIU-HJWRWDBZSA-N 300.383 3.330 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H](C)C1CCC1 1671294998 ZPTLQQIUXFPGBF-LSDHHAIUSA-N 317.477 3.480 10 10 DGCE CSCC[C@H](C)N(C)CCCC(=O)Nc1ccc(N)cc1 161107961 DMMUPOATZKOJGJ-ZDUSSCGKSA-N 309.479 3.061 10 10 DGCE C[C@H](NCc1ncnn1C)c1ccc(N2CCCCCC2)cc1 152990537 VVPRRJACJJOJPH-HNNXBMFYSA-N 313.449 3.046 10 10 DGCE O=C(O)c1ccc(N=c2[nH]c3c(F)cc(F)cc3s2)c(O)c1 1859858463 SYJOYMJPYUTXMO-UHFFFAOYSA-N 322.292 3.144 10 10 DGCE C[C@@H]1C[C@@H](C)CN(/N=N/c2ccc(N3CCOCC3)cc2)C1 1860487679 JKVJCWSISOZTMR-RHDHSSKXSA-N 302.422 3.500 10 10 DGCE CCCCCCC(=O)N[C@H]1CCCN(Cc2ccc(N)cc2)C1 586073309 YPYGFFVCNFFNSC-SFHVURJKSA-N 317.477 3.320 10 10 DGCE COc1ccc(N(C)Cc2ccc(Br)nc2)cc1 1658491306 SKTGNFSJUJFOID-UHFFFAOYSA-N 307.191 3.489 10 10 DGCE CN(CCN=[N+]=[N-])Cc1ccc(Br)c([N+](=O)[O-])c1 1912165895 PXTCRTPNBDYTPS-UHFFFAOYSA-N 314.143 3.099 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)c2csc(Br)c2)C1 1912146716 DQJCATBRWDQPHF-ZETCQYMHSA-N 315.196 3.283 10 10 DGCE C[C@H](CO)N(Cc1ccccc1)c1ccc(CN)c(C2CC2)c1 1901158695 KKGGMOXMVLVLPL-OAHLLOKOSA-N 310.441 3.410 10 10 DGCE Nc1ccc(CCN(Cc2ccccc2)[C@H](CO)C2CC2)cc1 1915176154 HAUJFYXWZRFSQF-HXUWFJFHSA-N 310.441 3.084 10 10 DGCE COc1ccc(N(Cc2ccccc2)[C@@H](CO)C(C)C)c(N)c1 1915286697 XYQXKRLIRSPZRL-IBGZPJMESA-N 314.429 3.301 10 10 DGCE CN[C@@H](CC[C@H](C)NC(=O)OC(C)(C)C)c1ccccc1O 1928475176 VAUJFSNUPSGMJU-JSGCOSHPSA-N 308.422 3.346 10 10 DGCE Oc1cccc(F)c1CNCc1cnn(Cc2ccccc2)c1 1976860135 DPFBJWGLSDXYCM-UHFFFAOYSA-N 311.360 3.066 10 10 DGCE CCN[C@H](CCNC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1977944183 BOUKQBNLKDPVQW-MRXNPFEDSA-N 321.465 3.318 10 10 DGCE CN1CCCc2cc([C@@H](N)C(F)(F)Br)ccc21 2000257112 SPBDJBZFDQDTLC-LLVKDONJSA-N 305.166 3.057 10 10 DGCE C[C@H](c1cc(Br)ccc1O)N(C)[C@H]1CCCOC1 401554544 CAOJSGFOZCGNGC-PWSUYJOCSA-N 314.223 3.327 10 10 DGCE CCCn1cc(NCc2cc(Br)ccc2O)cn1 90190964 MSOGUAHNUOPNBK-UHFFFAOYSA-N 310.195 3.373 10 10 DGCE CS[C@@H]1CCN(c2ccc([C@@H](C)N)cc2Br)C1 382928589 FCHSIYRNONHBKT-MWLCHTKSSA-N 315.280 3.411 10 10 DGCE COc1cccc(O)c1[C@H](C)n1nc(C2CCC2)cc1C(=O)O 2069859392 OYAIWULDVUSXIY-JTQLQIEISA-N 316.357 3.172 10 10 DGCE Cc1ccc(O)c([C@H](C)n2nc(CC(C)C)cc2C(=O)O)c1 2069875779 LGCTWYBUWXCZLZ-LBPRGKRZSA-N 302.374 3.403 10 10 DGCE COC(=O)c1cc(CC(C)C)nn1Cc1cccc(Cl)c1O 2070010843 XVRIYHPIHQMLLG-UHFFFAOYSA-N 322.792 3.276 10 10 DGCE CNCc1cc(-c2ccccc2)nn1Cc1cccc(C)c1O 2070075733 GMYALUDTVVPMLQ-UHFFFAOYSA-N 307.397 3.332 10 10 DGCE CC[C@@H](COC)N(C)c1ccc([C@@H](C)O)c(Br)c1 2047313237 WZGZHAMTAOWAEM-MNOVXSKESA-N 316.239 3.364 10 10 DGCE NCc1ccc(N2C[C@H]3CC[C@@](F)(C3)C2)c(Br)c1 2049318891 YOENSTUKYBKSJS-SMDDNHRTSA-N 313.214 3.236 10 10 DGCE Cc1nc([C@@H](O)CCc2ccc(N)cc2)ccc1Br 2100781469 MKXJAVGMPJDMOZ-HNNXBMFYSA-N 321.218 3.401 10 10 DGCE C[C@@]1(F)CN(c2ccc(CO)cc2F)C[C@@]1(C)Br 2084854201 AECRUCUENIWIBN-CHWSQXEVSA-N 320.177 3.020 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](C[C@H]2Oc2ccc(N)cc2)C1 2210213338 LLHZEQLBPZIBBV-APHBMKBZSA-N 318.417 3.293 10 10 DGCE CSc1ncc(CNCc2nc3c(s2)CCCC3)s1 2208476672 DGQRMCIXXKOYDU-UHFFFAOYSA-N 311.501 3.490 10 10 DGCE COCCNCc1cnc(SC2CC(C(F)F)C2)s1 2232300335 SRVYCUMDOOJKOF-UHFFFAOYSA-N 308.419 3.015 10 10 DGCE CC(C)[C@@H]1COCCN1Cc1ccc(Br)cc1O 2223621677 KKGZJYSEUQBOII-ZDUSSCGKSA-N 314.223 3.012 10 10 DGCE CCNCc1ccc(N(C)C[C@]2(F)CCOC2)c(Cl)c1 2238286259 ALSBHLXXWSWQSG-OAHLLOKOSA-N 300.805 3.014 10 10 DGCE Cc1cc(N2CC(N(C)Cc3ccccc3)C2)ccc1[C@H](C)O 2243958933 SPDHXJZIFDJAMW-INIZCTEOSA-N 310.441 3.369 10 10 DGCE CCn1c(C=Cc2ccccc2[N+](=O)[O-])nc2ccccc2c1=O 2296662215 SZTYYEMNHISJHM-UHFFFAOYSA-N 321.336 3.495 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)N1CC[C@@H](Cc2ccccc2)C1 2307987922 UIXYAKOEGXBMDE-KRWDZBQOSA-N 323.392 3.202 10 10 DGCE Oc1ccc(Br)cc1CN[C@H]1C[C@@H]2C[C@H]1C[C@H]2F 2308606478 OEOIORCNWSNDNA-NGERZBJRSA-N 314.198 3.381 10 10 DGCE CCOC(=O)[C@@H]1CCCN(N=Nc2ccc(C(C)=O)cc2)C1 2330156066 NJLVRKPZDIFUDA-CQSZACIVSA-N 303.362 3.163 10 10 DGCE COc1cc(COCc2ccc(N)cc2)c(Br)cn1 2337034493 SWKBTDHXBXPNHU-UHFFFAOYSA-N 323.190 3.152 10 10 DGCE CC(C)(C)c1ccc(/C=C2\SC(=S)N(CO)C2=O)cc1 5383829 PROLFXVRRRANCB-WQLSENKSSA-N 307.440 3.135 10 10 DGCE NC[C@H]1c2cc(Cl)ccc2CN1c1ccc2c(c1)OCO2 71683195 FSKROWYAPQJERN-AWEZNQCLSA-N 302.761 3.089 10 10 DGCE CN[C@@H]1C(=O)Nc2cc(N3CC[C@@H](C)[C@@H](C)C3)c(Cl)cc21 130167447 MWFQSDJDKFLUPH-FTGAXOIBSA-N 307.825 3.035 10 10 DGCE COc1ccc(O)c(CN(CCc2nccs2)C(C)C)c1 180538792 PFKNJIRFBKQPHI-UHFFFAOYSA-N 306.431 3.310 10 10 DGCE Oc1ccc(Cl)cc1CN1CCCN(c2ccccn2)CC1 184807576 KHTCFBBVHNJXPU-UHFFFAOYSA-N 317.820 3.153 10 10 DGCE Cc1ccc([C@H](C)NCC(=O)Nc2ccc(F)cc2)c(O)c1 185243735 UIOOEWRRJHDYSB-LBPRGKRZSA-N 302.349 3.129 10 10 DGCE Cc1nc([C@H]2CCCN2Cc2cc3c(cc2O)OCO3)cs1 186857689 GJVCOOUUVFVXQK-CYBMUJFWSA-N 318.398 3.223 10 10 DGCE CC(=O)N(C(=O)N/C=C/c1ccccc1F)c1ccc(N)cc1 217747980 QRHILXUNSZPXJB-ZHACJKMWSA-N 313.332 3.141 10 10 DGCE CCN(c1ccc([C@@H](C)N)c(Br)c1)[C@H]1CCOC1 310885490 OMNPMOMCDWVSGN-PWSUYJOCSA-N 313.239 3.084 10 10 DGCE C[C@H](N[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)c1cc(O)ccc1O 381660624 AIFLIQNHYBLCTO-WOPDTQHZSA-N 324.421 3.050 10 10 DGCE C[C@@H](NCc1ccn(Cc2ccccc2)n1)c1ccccc1O 389948061 VMVFGGDVEMYYIG-OAHLLOKOSA-N 307.397 3.488 10 10 DGCE COCCN(CCF)c1ccc(CNC(C)C)c(Cl)c1 697277837 LUSFSJGRVCCKPQ-UHFFFAOYSA-N 302.821 3.260 10 10 DGCE C[C@H](N[C@H](C)CN(C)C(=O)OC(C)(C)C)c1cc(O)ccc1O 701924915 QNLLFIMNMPFQHP-NEPJUHHUSA-N 324.421 3.004 10 10 DGCE COCC1(N(C)c2ccc([C@H](C)O)cc2Br)CC1 706387064 XEGJMJKEVYULDF-JTQLQIEISA-N 314.223 3.118 10 10 DGCE COc1cc(CN(C)Cc2c(O)cccc2OC)cc(OC)c1 768545241 WFULBVCOLFNWOX-UHFFFAOYSA-N 317.385 3.050 10 10 DGCE COc1cccc(O)c1CN1CCO[C@@H](c2cccs2)C1 769146246 GMUHLERJVOXHQR-OAHLLOKOSA-N 305.399 3.036 10 10 DGCE CC[C@@H](NCc1c2c(nn1C)CCCC2)c1ccc(F)cc1O 812736984 LCIFVONUAUOOFL-OAHLLOKOSA-N 317.408 3.385 10 10 DGCE Cc1cc(Cl)cc(CN2C[C@@]3(CCCO3)[C@H]2C2CC2)c1O 816666002 BPDCOODJUAGWLO-SJORKVTESA-N 307.821 3.497 10 10 DGCE C[C@@H](N[C@H]1CC12CC2)c1cc(Br)c(F)cc1O 818357166 VUVFASOGPJOLQD-KRTXAFLBSA-N 300.171 3.497 10 10 DGCE COc1cncc(/C=C/CCN(C)c2ccc3c(c2)OCO3)c1 828098286 KUJSFUJTUKFZTE-HWKANZROSA-N 312.369 3.359 10 10 DGCE C[C@H](CNC/C=C\c1ccc(N(C)C)cc1)CN1CCCC1 835034829 FKLFJUZNUATPEZ-JTGQJZMRSA-N 301.478 3.087 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@H](CCO)c2ccco2)cc1 835046453 JTBKKDNCQBHTLN-MAVJXHJTSA-N 300.402 3.072 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCCCCO1 845261766 OQVTXKZWKWINBG-OAHLLOKOSA-N 319.449 3.119 10 10 DGCE CCc1cccc(CN[C@@H]2CCc3cnn(C(C)C)c3C2)c1O 848906425 VEAPSSJSELDXNY-QGZVFWFLSA-N 313.445 3.379 10 10 DGCE CCc1cccc(CN(C)Cc2csc(C(C)(C)O)n2)c1O 848915050 RHEZAKLHFDMGMJ-UHFFFAOYSA-N 320.458 3.271 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@H]1C[C@H](O)C12CCC2 850388775 PLOUBMFZSWKFLU-RYUDHWBXSA-N 302.201 3.092 10 10 DGCE C[C@H](N[C@H](C)c1ccc(Br)cc1O)c1ccnn1C 866613568 IECRKAXTGUSQFS-ZJUUUORDSA-N 324.222 3.300 10 10 DGCE CC(C)[C@]1(C(=O)O)CCN(C/C=C\c2ccc(N(C)C)cc2)C1 901470104 ZKMPLCYFPYADAZ-VOFKWLDRSA-N 316.445 3.199 10 10 DGCE Cc1ccc([C@H](C)NC[C@]2(OC(C)C)CCOC2)c(O)c1C 903356355 CAHGGJOTURQJPG-MAUKXSAKSA-N 307.434 3.244 10 10 DGCE O=C(CC[C@H]1CCc2ccccc21)NCc1ccc(O)cc1O 910955830 GQMLIIXOYPMILW-CQSZACIVSA-N 311.381 3.224 10 10 DGCE CN1CCCc2cc(CNCc3cccc4nc(O)oc34)ccc21 921624915 GPURPDYCRXQDCJ-UHFFFAOYSA-N 323.396 3.206 10 10 DGCE CN(Cc1ccc2c(c1)OC(F)(F)O2)Cc1ccccc1O 1141155200 GITWQTJCZKNGAD-UHFFFAOYSA-N 307.296 3.346 10 10 DGCE Cc1ccc(C(=O)N[C@H](C2CCCC2)C2CCC2)c(O)c1O 1163013892 IGUSRKZTGIMWHD-OAHLLOKOSA-N 303.402 3.495 10 10 DGCE CN(Cc1nccs1)C(=O)c1cc2cc(O)c(O)cc2s1 1294457681 UUGJFEBBHIZZAO-UHFFFAOYSA-N 320.395 3.041 10 10 DGCE CC(C)(C)N1CC[C@@H]1CNCc1ccc(N2CCCC2)cc1 1327578080 RLKDENFXLKCSGE-GOSISDBHSA-N 301.478 3.249 10 10 DGCE COc1ccc(N2CCC(Nc3nc(C)ncc3C)CC2)cc1 1349867505 OKEOOCGUTXBGCX-UHFFFAOYSA-N 312.417 3.183 10 10 DGCE COCc1cccc(C(=O)NCc2ccc3cccnc3c2O)c1 1451957234 RPLDGVHKYUXZNL-UHFFFAOYSA-N 322.364 3.017 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)/C=C(/C)c2ccco2)c1 1465991385 CVNZEEQXJZUGBQ-UCQJPZFISA-N 301.342 3.275 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)c2ccc(Cl)cc2N)c1 1465992318 JHJCHGQJSOFDGT-VIFPVBQESA-N 320.776 3.127 10 10 DGCE CCN(Cc1ccc2oc(=O)n(C)c2c1)c1ccc(OC)cc1 1559621220 NNRFGDOIEJKECD-UHFFFAOYSA-N 312.369 3.167 10 10 DGCE CC(=O)c1cc(F)cc(CN2CCCSC[C@H]2C2CC2)c1O 1560188533 OSFUXOOLTOQKCJ-INIZCTEOSA-N 323.433 3.451 10 10 DGCE COc1ccc(CNC(=O)c2cc3c(C)cccc3o2)c(O)c1 1568098328 WRXOZAOTINTBND-UHFFFAOYSA-N 311.337 3.385 10 10 DGCE Cc1c(O)nc2ccccc2c1C(=O)N(C)Cc1ccccc1O 1629954881 ICDZUOFCJLRYEQ-UHFFFAOYSA-N 322.364 3.227 10 10 DGCE COC(=O)Nc1ccc(C(=O)N[C@H](C)c2ccccc2O)cc1 1635793640 AZKANFASIOHKRW-LLVKDONJSA-N 314.341 3.062 10 10 DGCE C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)N(C)Cc1ccc(N(C)C)cc1 1687605763 PBJZWQPTDQBQNY-HUHSQHJXSA-N 315.461 3.186 10 10 DGCE CCC(CC)c1n[nH]c(=Nc2cc(C(=O)O)ccc2O)s1 1859857668 DEPLPFOTRRJUSG-UHFFFAOYSA-N 307.375 3.011 10 10 DGCE CN(CCc1ccc(N)cc1)Cc1cnn(Cc2ccccc2)c1 1915016418 XMXGNUBSUHRXOM-UHFFFAOYSA-N 320.440 3.188 10 10 DGCE C[C@@H](NCc1ccc(Br)cc1O)[C@@H]1CCSC1 1942256155 LHWYXDLNGWGGIH-MWLCHTKSSA-N 316.264 3.386 10 10 DGCE CNCc1ccc(N2CC[C@@](C)(F)C2)c(Br)c1 1946951807 XIVIINCGBJLFAZ-CYBMUJFWSA-N 301.203 3.107 10 10 DGCE CC(C)(C)OC(=O)N1CCCC[C@@H](Nc2ccccc2N)C1 1959377619 QLQCZSQESDXNBC-CYBMUJFWSA-N 305.422 3.470 10 10 DGCE C[C@@H](O)c1ccc(N(C)C[C@H]2C[C@@H]2F)cc1Br 2014704488 HWLOKYUQMPYIOI-KKFJDGPESA-N 302.187 3.297 10 10 DGCE C[C@H]1[C@@H](CN(C)c2ccc(CO)cc2Br)C1(F)F 2036078639 RBQZMGBUXRUHAV-WCBMZHEXSA-N 320.177 3.279 10 10 DGCE COc1cccc(C=C2SC(=S)N(C)C2=O)c1OC(C)C 2040489065 GKRUODFFBKZEPT-UHFFFAOYSA-N 323.439 3.313 10 10 DGCE OCc1cc(C2CC2)nn1Cc1cc(C(F)(F)F)ccc1O 2070118831 OPJKCWBHKJRZON-UHFFFAOYSA-N 312.291 3.026 10 10 DGCE Cc1ccc(O)c([C@@H](C)n2cc(C(=O)OC(C)(C)C)c(O)n2)c1 2070637218 DWJKCMKVMZPKDI-LLVKDONJSA-N 318.373 3.167 10 10 DGCE CNCc1ccc(N(C)C[C@H]2C[C@H]2CF)c(Br)c1 2071384700 WZVHBBLGIPKJNW-NWDGAFQWSA-N 315.230 3.210 10 10 DGCE CN(Cc1cc(Br)ccc1O)C[C@@]1(C)CCCO1 2071883439 NQVXTAOHLZQQTP-CQSZACIVSA-N 314.223 3.156 10 10 DGCE Nc1cnn(Cc2cc(C(F)(F)F)ccc2O)c1C(F)F 2079030956 CYQBOMFAWLQPNQ-UHFFFAOYSA-N 307.222 3.176 10 10 DGCE CCC(CC)Cc1cc(O)n2nc(C(C)C)c(C(=O)O)c2n1 2080882162 IELOQEYJWSPFHI-UHFFFAOYSA-N 305.378 3.235 10 10 DGCE CC[C@@H]1CC[C@@H](CNCc2ccc(Br)cc2O)O1 2081665054 AGOYPBCHEJVPSE-OLZOCXBDSA-N 314.223 3.202 10 10 DGCE [N-]=[N+]=NCCCCOc1ccc(Br)cc1C(N)=O 2083099440 XWMMNHFAVXEGOJ-UHFFFAOYSA-N 313.155 3.017 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@@](C)(F)[C@](C)(Br)C2)cc1 2084856239 MHTSCFLNRSVBCM-LERXQTSPSA-N 316.214 3.442 10 10 DGCE CCNCc1ccc(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@H]32)c(Br)c1 2117424728 QFOFFWNGWUMKKF-WFGGJUAMSA-N 321.262 3.403 10 10 DGCE CN[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1cc(Cl)cc(Cl)c1O 2151265741 ICMZCHPDSUCIIC-XYYAHUGASA-N 315.244 3.414 10 10 DGCE CNCc1cc(F)c(N(C)Cc2cc(Cl)ns2)c(F)c1 2167220401 NBMKJOSETHEAEJ-UHFFFAOYSA-N 317.792 3.431 10 10 DGCE C[C@H](N)c1ccc(N(CCO)Cc2ccsc2)c(Cl)c1 2171095169 KQDNNJARYBTHAP-NSHDSACASA-N 310.850 3.420 10 10 DGCE CN(CCc1ccc(N)cc1)[C@H]1CS[C@@H](C(F)(F)F)C1 2189458643 QPIWNRBGEUSLAB-CHWSQXEVSA-N 304.381 3.180 10 10 DGCE Nc1ccc(CC(=O)NCc2cc3sccc3s2)cc1 2205537381 JHQKKAJXHLJYDL-UHFFFAOYSA-N 302.424 3.404 10 10 DGCE Oc1cc(Br)ccc1CNC[C@H](F)C1CCC1 2215291850 RHCBDKBENYZRNY-LBPRGKRZSA-N 302.187 3.383 10 10 DGCE CNCc1ccc(N2CCC[C@@H]2COC(F)F)cc1Cl 2236746952 UNCFDLSCOMPSLB-GFCCVEGCSA-N 304.768 3.267 10 10 DGCE C[C@@H](O)c1ccc(N(C)C[C@@H](F)[C@H]2CCOC2)cc1Cl 2238343268 MUKWIVYNJZMEQX-JRPNMDOOSA-N 301.789 3.204 10 10 DGCE O=C1N=C(N2CCCC2)SC1=Cc1c[nH]nc1-c1ccccc1 2296056382 SBRVHRFSLWSCHQ-UHFFFAOYSA-N 324.409 3.143 10 10 DGCE Cc1ccc(CN(C)[C@@H]2CCO[C@@H]2C)c(O)c1Br 2327569287 VTDXNCAJOVJGJE-ZYHUDNBSSA-N 314.223 3.072 10 10 DGCE NCCc1ccc(C(F)(F)F)nc1Sc1nccs1 2343808547 HZRGBRCDAMSAKW-UHFFFAOYSA-N 305.350 3.209 10 10 DGCE CC(C)(C)OC(=O)N[C@@]1(c2cc(N)ccc2O)CC=CCC1 1953032008 VOCHZGSWSKZIKA-KRWDZBQOSA-N 304.390 3.435 10 10 DGCE C[C@@H]1CCC[C@H](S(=O)(=O)CCCOc2ccc(N)cc2)C1 54692105 FTOFGAKKLGWGQH-CJNGLKHVSA-N 311.447 3.031 10 10 DGCE C[C@H]1C[C@H]1CN(C)c1cc(Br)c(CN)cc1F 310331308 YSYLMAOZOCGVIF-WPRPVWTQSA-N 301.203 3.139 10 10 DGCE Nc1ccc(N2CCN(Cc3ccc(Cl)cc3)C2=O)cc1 54404984 LUTAVROCNORLKP-UHFFFAOYSA-N 301.777 3.364 10 10 DGCE CNCc1ccc(N(C)[C@@H]2CCN(Cc3ccccc3)C2)cc1C 310492946 HRRHGOBBCBVDFV-OAQYLSRUSA-N 323.484 3.425 10 10 DGCE CC[C@@H](N)c1ccc(N2CCN(Cc3ccccc3)CC2)cc1 303194689 VQMJMKNPBRJABL-HXUWFJFHSA-N 309.457 3.419 10 10 DGCE C[C@@H](N)c1ccc(N(C)CCCCCO)cc1Br 235167937 KCIRJEVBJDXPNC-LLVKDONJSA-N 315.255 3.068 10 10 DGCE Cc1ccc([C@H](C)N[C@H](C)c2nnc3n2CCCCC3)c(O)c1 319753020 JJHPUHQVGRUBIM-UONOGXRCSA-N 314.433 3.430 10 10 DGCE Cc1ccc(N2NC(=O)/C(=C/C=C\c3ccccc3)C2=O)cc1C 33294253 KYKPWDBYAFAJCY-BRMXFPEKSA-N 318.376 3.321 10 10 DGCE Nc1ccc(CCNCc2ccc(Br)s2)cc1 71309748 AGIUXCBGCYHPPK-UHFFFAOYSA-N 311.248 3.425 10 10 DGCE Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2O)c(C)n1-c1ccccc1 130704661 UZLZQWJWHXRBPS-QZTJIDSGSA-N 312.413 3.127 10 10 DGCE C[C@H](c1ccco1)N(C)Cc1ccc(N2CCOCC2)cc1 131074478 FLYXAYQAWKTGSU-OAHLLOKOSA-N 300.402 3.309 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCCC1(C)C 194470290 CLIZGMVCXMGZAY-OCCSQVGLSA-N 305.418 3.361 10 10 DGCE CC(C)(C)c1ccc(O)c([C@@H]2N[C@@H](C(=O)O)C(C)(C)S2)c1 83236912 DFICLIBGURZCGJ-QWHCGFSZSA-N 309.431 3.257 10 10 DGCE CCCN(Cc1ccccc1)C(=O)[C@@H]1CNc2ccccc2N1 383542599 DYINNOUQYVKOCY-SFHVURJKSA-N 309.413 3.331 10 10 DGCE Cn1cc(NCc2cc(Cl)cc([N+](=O)[O-])c2O)c(C2CC2)n1 291328926 UKHBIPJVOIRRGM-UHFFFAOYSA-N 322.752 3.177 10 10 DGCE CC[C@@H]1C[C@H](NCc2cc(Cl)cc([N+](=O)[O-])c2O)CCO1 817414489 GEVCVRFAKYFNOR-VXGBXAGGSA-N 314.769 3.001 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCC2(CCN2)CC1 817864830 DDPYZVDLXFAQNB-UHFFFAOYSA-N 301.217 3.027 10 10 DGCE CCOc1ccc(CNC[C@@H]2CC23CCSCC3)c(O)c1 817411409 RDYCMNWJBOMUMF-AWEZNQCLSA-N 307.459 3.414 10 10 DGCE CO[C@@H]1C[C@@H]2C[C@H](NCc3ccc(N(C)C)cc3C)C[C@@H]2C1 818333619 YFXJQBMGWDKDRC-LRNSACPNSA-N 302.462 3.354 10 10 DGCE O=C1CC[C@@H]2CN(Cc3cccc4c3CCNC4)c3cccc1c32 662279244 IBUUKCDIOAQKNA-MRXNPFEDSA-N 318.420 3.413 10 10 DGCE CCc1cccc(CN2C[C@H](C)O[C@@H](CC(F)(F)F)C2)c1O 827785980 FJNSVYYDUILESI-FZMZJTMJSA-N 317.351 3.496 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1C(F)(F)F 825678243 AOCXLWXNCLPCDT-VXGBXAGGSA-N 301.308 3.329 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCOc3ccc(N)cc3C2)cc1 903943753 BMLBRMITHDHVKP-ARJAWSKDSA-N 323.440 3.243 10 10 DGCE CCOc1ccc(O)c(CN[C@H](C)[C@](C)(O)c2ccccc2)c1 846038535 MTRWNNUERYDHBC-KUHUBIRLSA-N 315.413 3.177 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)C1CC1 745324179 XXIXTSYNVUDDTL-AWEZNQCLSA-N 303.450 3.471 10 10 DGCE OC[C@]1(CNCc2c(O)cccc2Cl)CCc2ccccc21 846011949 RCRBECWSSAXFPO-GOSISDBHSA-N 317.816 3.012 10 10 DGCE O=C(NCc1cc(Br)ccc1O)[C@@H]1C[C@H]1C1CCC1 846139432 LVTNKZZQCSMUDM-QWHCGFSZSA-N 324.218 3.207 10 10 DGCE O=C(O)/C=C\c1ccc(N2C[C@H]3CC[C@H]3C2)cc1Br 688353743 YQEXECJQQAHMKV-STNZKUDTSA-N 322.202 3.393 10 10 DGCE COc1ccc(N2CC[C@@H](NCc3cc4cccnc4o3)C2)cc1 850347810 XZYVPKCYESVHMN-OAHLLOKOSA-N 323.396 3.205 10 10 DGCE CN(C)[C@H]1CCc2ccccc2N(C(=O)/C=C\c2cccnc2)C1 857932780 WBBMNSSQPZWQTI-DVESRUBUSA-N 321.424 3.004 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@H]1CCCc2c[nH]nc21 857868854 DXXIYUIJDWXHOL-KDOFPFPSSA-N 312.461 3.382 10 10 DGCE COc1ccc(N2CC[C@@H](NCc3ccsc3C)C2)cc1 850347181 PGNLOUVTUSPZOO-OAHLLOKOSA-N 302.443 3.434 10 10 DGCE Cc1cc(Br)c(O)c(CN(C)Cc2cccnc2)c1 757871021 CMLPXMAJQZKFTJ-UHFFFAOYSA-N 321.218 3.490 10 10 DGCE Cc1ccncc1CCNCc1cccc(Br)c1O 850355026 BJDWTKJRFRXJSQ-UHFFFAOYSA-N 321.218 3.190 10 10 DGCE C[C@@H](NCCc1cnc(C2CC2)nc1)c1ccc(F)cc1O 756770472 XPCPNIAJPKYQIF-LLVKDONJSA-N 301.365 3.092 10 10 DGCE CO[C@H](C(=O)NCc1cc(Cl)ccc1O)C1CCCCC1 855023204 UVXKFLGGOCBVAZ-HNNXBMFYSA-N 311.809 3.257 10 10 DGCE Cc1ccc([C@@H](C)NC[C@@H]2CC3(CCOCC3)CO2)c(O)c1C 866533746 VBCFZRSAMGITCI-CVEARBPZSA-N 319.445 3.245 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@@H]2CCNCC(C)(C)C2)cc1 872253976 NZXYKJPCSQKHCU-FUTAKVPZSA-N 301.478 3.134 10 10 DGCE C[C@H](NCc1cccc(Br)c1O)c1nccs1 70942404 GIWLYWNYFQQUMO-QMMMGPOBSA-N 313.220 3.462 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)C1C[C@@H]2CC[C@H](C1)S2 898276663 CWCXUVOWEWNFNU-MVCUKOFQSA-N 311.834 3.336 10 10 DGCE COc1ccc(N(CCC(C)C)C[C@@H](O)C(F)(F)F)cc1 796502096 AXXKRHPEWCIQEG-CQSZACIVSA-N 305.340 3.471 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2ccc(C(F)(F)F)cc2N)c1 1301047401 WKIAEVVWFNLWTH-UHFFFAOYSA-N 324.302 3.232 10 10 DGCE CCCCOc1ccc(N2CC[C@H](CNCCCOC)C2)cc1 76438009 PWRZCHMZZINVNZ-QGZVFWFLSA-N 320.477 3.318 10 10 DGCE C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(CCN=[N+]=[N-])[C@@H]1C 1962304412 MXPNRQLBRFOLKO-JHJVBQTASA-N 311.430 3.310 10 10 DGCE Cn1c(C(=O)N2Cc3cccc(O)c3C2)cc(Cl)c1Cl 1175031902 VVCNYODYRMNPQG-UHFFFAOYSA-N 311.168 3.194 10 10 DGCE C[C@H]1CN(Cc2cc(Br)cc(F)c2O)C[C@@H]1C 715701686 GZQPESGZXDQUEO-IUCAKERBSA-N 302.187 3.382 10 10 DGCE C[C@H](N)c1ccc(N2CCO[C@H](C(F)(F)F)C2)c(Cl)c1 698816194 YTKXJALACPRFJL-UFBFGSQYSA-N 308.731 3.127 10 10 DGCE COC(=O)[C@@H](NCc1ccc(N2CCCCC2)c(C)c1)C(C)C 1198506667 CUUDPWZEYCJBCJ-SFHVURJKSA-N 318.461 3.273 10 10 DGCE COc1ccc2c(c1)c1c(n2CC(=O)NCC2CC2)CCCC1 1355600641 ZBWHHWAUAZXDCY-UHFFFAOYSA-N 312.413 3.055 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@]23C[C@@H]2COC3(C)C)cc1 1532204171 FPEUZMKULFRTMW-OXQOHEQNSA-N 324.424 3.391 10 10 DGCE O=C(/C=C\c1ccc(Cl)nc1)NCc1cccc(Cl)c1O 1606868389 NYSRASZWKQUOLR-ALCCZGGFSA-N 323.179 3.424 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)[C@@H]1[C@H](C)[C@H]1OCC 1626159941 DBWJOTPNSMGGSQ-IAOVAPTHSA-N 305.418 3.192 10 10 DGCE Cc1c(C(=O)NCc2ccc(O)cc2O)oc2c(F)cccc12 1626837952 LEGWYXXKMIRGLE-UHFFFAOYSA-N 315.300 3.222 10 10 DGCE Cc1ccccc1C1(NC(=O)/C=C\c2ccc(O)c(O)c2)CC1 1557157440 IWXJEXDKFGALMU-CLFYSBASSA-N 309.365 3.225 10 10 DGCE CC[C@H](CO)CN[C@@H](CC)c1cc(Br)ccc1O 1964486843 UDHUAPJCOXQFTE-GWCFXTLKSA-N 316.239 3.214 10 10 DGCE O=C(O)[C@H](Nc1cccc(Br)c1)c1ccccc1O 166124071 SNZXQBCUTLYZLO-CYBMUJFWSA-N 322.158 3.393 10 10 DGCE CCN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2F)C1=O 6205503 IVEPCZFHKKVRGW-ZROIWOOFSA-N 320.389 3.482 10 10 DGCE CN1C[C@@H](N(C)c2ccccc2)c2ccc(Cl)cc2[C@H]1CN 250605151 LAXNXJXIQWSRMP-QZTJIDSGSA-N 315.848 3.463 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN(C(=O)c2occc2Br)C1 1912150579 VNVSHGHLHBPISU-MRVPVSSYSA-N 313.155 3.205 10 10 DGCE CC[C@H](O)CN(Cc1ccccc1)c1ccc([C@H](C)O)c(O)c1 1915097696 YFDROWRKQZJSEB-YOEHRIQHSA-N 315.413 3.223 10 10 DGCE COc1ccc(N(Cc2ccccc2)[C@H](CO)C(C)C)c(N)c1 1915286698 XYQXKRLIRSPZRL-LJQANCHMSA-N 314.429 3.301 10 10 DGCE CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@H](N)c1ccccc1O 1928477900 ZWAIXAAFKSWJBC-DZGCQCFKSA-N 308.422 3.331 10 10 DGCE C[C@H](OCc1ccccc1)C(=O)N1CCC[C@@H](N=[N+]=[N-])CC1 1934380090 BCOPCVPCGYCPTB-DZGCQCFKSA-N 302.378 3.283 10 10 DGCE CC(C)(C)OC(=O)NCC1(CCOc2ccc(N)cc2)CC1 1952678326 QYZJXYJXLATNAQ-UHFFFAOYSA-N 306.406 3.343 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@H]1C[C@]12CCOC2 1974202673 RPWKMFNSPMVOQX-YGRLFVJLSA-N 302.201 3.215 10 10 DGCE Cc1cccc(N)c1N[C@H]1[C@@H]2[C@@H]1CCCN2C(=O)OC(C)(C)C 1977673950 HILSFVLJCWNGAT-WQVCFCJDSA-N 317.433 3.387 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C[C@@]2(Br)CC2(F)F)CC1 2023775829 LUGWRTNZXMVISQ-BDAKNGLRSA-N 309.158 3.324 10 10 DGCE CC[C@@]1(CNCc2c(O)cccc2Br)CCCO1 2030252905 BDYKEABZUJPZMA-AWEZNQCLSA-N 314.223 3.204 10 10 DGCE C[C@@H](c1cc(Br)ccc1O)N1CC[C@H]2C[C@H]1CO2 2035547761 FBZJWGNTSNBIDF-DLOVCJGASA-N 312.207 3.079 10 10 DGCE COC(=O)[C@H](NCCN=[N+]=[N-])c1cc(Cl)sc1Cl 312687223 IPWRIIVLRIYHDZ-SSDOTTSWSA-N 309.178 3.169 10 10 DGCE Oc1c(F)cc(Br)cc1CNC1C[C@H]2C[C@@H]2C1 715768433 DACOHVUUMBYJSA-HTQZYQBOSA-N 300.171 3.182 10 10 DGCE CC[C@H](CN(C)c1ccc([C@@H](C)O)cc1Br)OC 2068156837 DECGPYPJDVYGTP-ZYHUDNBSSA-N 316.239 3.364 10 10 DGCE CCN[C@H](CSc1nccs1)c1cnc2sccn12 2099598856 SVAQCCMIQMORAO-SECBINFHSA-N 310.473 3.295 10 10 DGCE COCCCN(CCOC)[C@@H](C)c1ccc(Cl)cc1O 2203362455 NXANDDYXWRYFPP-LBPRGKRZSA-N 301.814 3.092 10 10 DGCE CN(C[C@@H](F)C1CCC1)c1ccc(CN)cc1Br 2220904331 CFWRYXATBQYSAO-CYBMUJFWSA-N 315.230 3.482 10 10 DGCE C[C@H](O)c1ccc(N2CCc3ncsc3CC2)cc1Cl 2287248387 PJDNDFPOZMWWNI-JTQLQIEISA-N 308.834 3.455 10 10 DGCE Cc1cc(C=CC(=O)N2CC[C@](C)(O)C2)c(C)n1-c1ccccc1 2298115574 QUUSXYPGLVGNKB-FQEVSTJZSA-N 324.424 3.091 10 10 DGCE CC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1ncccc1C 2313682285 ZETVNERDKSIKFH-UHFFFAOYSA-N 306.369 3.499 10 10 DGCE CCCN1N=C(c2ccc(OC)cc2)C(=Cc2ccccn2)C1=O 2332128539 CNBSSIFZXLYAKR-UHFFFAOYSA-N 321.380 3.130 10 10 DGCE CCN1C(=O)/C(=C\c2ccc(OC)c(COC)c2)SC1=S 5900616 OYVAKSRTBULMGU-MDWZMJQESA-N 323.439 3.063 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)CC1CC1 112752268 UTRUUVOXZOEBHR-CQSZACIVSA-N 303.450 3.473 10 10 DGCE CCNCc1ccc(N2CCN([C@H](C)CC)CC2)c(Cl)c1 164052558 YPXUKBHRAZXLOD-CQSZACIVSA-N 309.885 3.370 10 10 DGCE Nc1ccc(CCS(=O)(=O)Cc2ccc(Cl)cc2)cc1 166037654 CWRLIRKXQFVJER-UHFFFAOYSA-N 309.818 3.080 10 10 DGCE CC(=O)c1cc(Cl)cc(CN(C)Cc2cc(C)on2)c1O 177023402 JDOKBNWFJRJEJB-UHFFFAOYSA-N 308.765 3.177 10 10 DGCE COc1ccc(O)c([C@H](C)NCc2ncc(C)c(OC)c2C)c1 182390255 TUFNGBUJKWTJLV-ZDUSSCGKSA-N 316.401 3.272 10 10 DGCE C[C@H](NCCCn1ccnn1)c1ccc(N2CCCCC2)cc1 184267226 PMSNXMGLTORXLS-INIZCTEOSA-N 313.449 3.009 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@@H](c2nc(C)no2)C(C)C)c1 185448700 FSEUYNICLMQATI-ZUZCIYMTSA-N 305.378 3.140 10 10 DGCE COc1ccc2c(c1)CCN2Cc1cncc(Br)c1 194988729 WXQXRJOIIUVLSA-UHFFFAOYSA-N 319.202 3.415 10 10 DGCE Cc1ccc(NC2=NC(=O)/C(=C\c3ccco3)S2)c(O)c1 210383070 XLIPWBGMHFAJRC-MDWZMJQESA-N 300.339 3.376 10 10 DGCE CC(C)C(=O)c1ccc2c(c1)CC(=O)N2Cc1ccc(N)cc1 213199304 AFBJYHRWPKGWFO-UHFFFAOYSA-N 308.381 3.197 10 10 DGCE C[C@@H](CCN[C@@H](C)c1c(O)cccc1O)NC(=O)OC(C)(C)C 235078968 JZOICSCFLOAAFK-RYUDHWBXSA-N 324.421 3.052 10 10 DGCE Cc1nc(C)c(CNCc2cccc(Br)c2O)o1 311837065 MVGSPYSSIQMOMF-UHFFFAOYSA-N 311.179 3.049 10 10 DGCE Cc1nc2cc(NC(=O)/C=C\c3ccc(O)c(O)c3)ccc2o1 588403313 DMRNEOZBQHSAHJ-CLTKARDFSA-N 310.309 3.199 10 10 DGCE C[C@@H](NCc1ccncc1Br)c1ccccc1O 686557299 PNVWWEGBHSHCST-SNVBAGLBSA-N 307.191 3.401 10 10 DGCE C[C@H](O)c1ccc(N2CCO[C@](C)(C(F)F)C2)cc1Cl 698735517 LLIUIDZKQQKUFE-XPTSAGLGSA-N 305.752 3.254 10 10 DGCE CCOC[C@H]1CCCN1Cc1c(O)cccc1Br 707164302 TYUATXDZORYZJN-LLVKDONJSA-N 314.223 3.156 10 10 DGCE Cc1cc(C(=O)N2CC3(CC(F)C3)C2)c(C)n1-c1ccccn1 753663306 FRNJUQQYBXFLLU-UHFFFAOYSA-N 313.376 3.063 10 10 DGCE C[C@H](NCCC[C@H]1CCCC[C@H]1O)c1cc([N+](=O)[O-])ccc1O 756758439 GUAYQSMRKKOWCB-WOSRLPQWSA-N 322.405 3.282 10 10 DGCE Cc1cccc(CC2CN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)c1 779530204 WJWRUYCTPNBISG-SOFGYWHQSA-N 323.392 3.121 10 10 DGCE COc1ccc2ccc(O)c(CN3CC[C@H](OC(F)F)C3)c2c1 802748043 YEAUJPLNFOCIQC-ZDUSSCGKSA-N 323.339 3.368 10 10 DGCE Cc1cnc(NCc2cc(Br)ccc2O)nc1C 804826841 HJDNGBPRYISESO-UHFFFAOYSA-N 308.179 3.174 10 10 DGCE Oc1cc(F)c(Cl)cc1CNc1cnn(-c2ccncc2)c1 816563195 NJFGZWWNWQHOES-UHFFFAOYSA-N 318.739 3.378 10 10 DGCE C[C@H](N[C@H]1CNCCC1(F)F)c1ccc(N2CCCCC2)cc1 817979820 OVHAJPUYLDNADJ-YOEHRIQHSA-N 323.431 3.325 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)N[C@H]1CO[C@@H](C2CC2)C1 826123991 YASBWKRFEZRXJS-POZUXBRTSA-N 302.462 3.149 10 10 DGCE CC[C@H](N[C@H](CC)C(=O)NC)c1ccc(Cl)c(Cl)c1O 834911185 HQLVOJYTMDXUFR-WDEREUQCSA-N 319.232 3.264 10 10 DGCE CCOC(=O)[C@@H]1CC[C@H](N[C@@H](C)c2ccc(Cl)cc2O)C1 841751791 JZXXVIURDXBXCQ-LOWVWBTDSA-N 311.809 3.428 10 10 DGCE CC[C@H](N[C@H]1C[C@@](C)(O)C1)c1cc(Br)ccc1O 841760133 TVIGKJJOPTWVKJ-VHRBIJSZSA-N 314.223 3.109 10 10 DGCE c1cc(N2CCCCC2)ccc1CN[C@H]1CCNC12CCCC2 843129120 RMSRXANBNZKGCW-IBGZPJMESA-N 313.489 3.441 10 10 DGCE C[C@H](NC[C@]1(CO)CCc2ccccc21)c1cc(F)ccc1O 846181530 ZSNPFQUZOGGCIL-DJJJIMSYSA-N 315.388 3.058 10 10 DGCE COc1ccc(CNC(=O)C2CCC(C3CC3)CC2)c(O)c1 846950398 ORUATJCBPDLCPC-UHFFFAOYSA-N 303.402 3.233 10 10 DGCE CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCC2(CCCC2)O1 847449319 OSKMJDHWGLRFNR-HNNXBMFYSA-N 318.417 3.025 10 10 DGCE Fc1cc(CNC[C@@H]2CCC[C@H]3C[C@H]32)ccc1N1CCOCC1 850377721 JMTAFGMQKGUYJO-YESZJQIVSA-N 318.436 3.188 10 10 DGCE Cc1cc(Cl)cc([C@H](C)N[C@H]2C[C@H](C)n3ncnc32)c1O 850499203 LFQTULAYMMKGOZ-KWBADKCTSA-N 306.797 3.302 10 10 DGCE Cc1ccc(O)c(CNC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)c1 862759407 DUYSLOHFXVBEOE-KBPBESRZSA-N 317.335 3.399 10 10 DGCE O=C(O)C[C@@H](CNCc1cc(F)cc(F)c1O)C1CCCC1 904026946 QCJLCNNJJYNHKK-NSHDSACASA-N 313.344 3.041 10 10 DGCE c1cc2c(cc1N(C[C@@H]1CCCO1)C[C@H]1CCCO1)CCC2 914867436 WFIYHTZKNGWMOT-KDURUIRLSA-N 301.430 3.340 10 10 DGCE CCN(C)c1ccc([C@H](C)NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)cc1 926940816 WORSJIBMCZPWNE-RMRDIRSESA-N 300.446 3.384 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2Cc3c[nH]nc3[C@@H](C)C2)c1O 931456965 CYOFLFYXNYNZFL-VIFPVBQESA-N 319.792 3.091 10 10 DGCE CCOC(=O)c1ccccc1N(C)C(=O)/C=C/c1cccnc1C 1264962045 VKISGCUWNVRIPC-VAWYXSNFSA-N 324.380 3.243 10 10 DGCE CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NCc1c(O)cccc1O 1304053460 LOBGSPHTZKWDKV-AHIWAGSCSA-N 321.417 3.088 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)N1CC2(CC2)Oc2ccccc21 1304758745 ZRWWZZWXHXTFLP-VURMDHGXSA-N 323.348 3.069 10 10 DGCE C[C@@H]1C[C@@H](N(C)Cc2ccc(N3CCCC3)cc2)CCN1C 1324745704 FAKPBHBRIYQZLQ-APWZRJJASA-N 301.478 3.201 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)Nc1ccc(-c2ccc[nH]2)cc1 1466411300 WTFMIRSSURNOAE-UHFFFAOYSA-N 308.337 3.274 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C\C=C(Cl)Cl 1466791159 PREBOVRNNWKJCB-MDHMXLOGSA-N 316.184 3.020 10 10 DGCE CC(=O)c1ccc(C(=O)NCc2cccc(Cl)c2O)s1 1472316057 JYZMVEXNQWCUJY-UHFFFAOYSA-N 309.774 3.240 10 10 DGCE CC[C@@H](CNC(=O)c1c(F)ccc(O)c1O)c1ccccc1 1472499474 MNWXEQKEFGNHHZ-NSHDSACASA-N 303.333 3.161 10 10 DGCE COc1cc(N2CCC3(CCCC3)C2)c([N+](=O)[O-])cc1OC 1559116029 NTIOCOCRBAJDFP-UHFFFAOYSA-N 306.362 3.383 10 10 DGCE CCOc1nc(C)ccc1C(=O)NCc1cccc(Cl)c1O 1606869528 VFDUPEJGZVKXJG-UHFFFAOYSA-N 320.776 3.078 10 10 DGCE CCCn1c(C)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1614771361 DHRKWLIUTHLCDW-UHFFFAOYSA-N 313.449 3.233 10 10 DGCE COc1cc2c(c(OC)c1)N(Cc1cccc(OC)n1)CCC2 1618570546 YLLCNKUAXQSEET-UHFFFAOYSA-N 314.385 3.060 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCCN(C(=O)COCc2ccccc2)C1 1912198339 FOPAVIWCKJSNJU-HNNXBMFYSA-N 302.378 3.142 10 10 DGCE C[C@@H](CCNC(=O)OC(C)(C)C)C[C@H](N)c1ccccc1O 1928468372 VSMOLKUYYPFBBL-JSGCOSHPSA-N 308.422 3.333 10 10 DGCE CC(C)(C)OC(=O)N(CC[C@@H](N)c1ccccc1O)C1CC1 1928468992 CGYHLIYUGMLPIN-CQSZACIVSA-N 306.406 3.182 10 10 DGCE CC(C)(C)OC(=O)NC1(C[C@H](N)c2ccccc2O)CCC1 1928480190 FMGKYDKIHZKLGX-ZDUSSCGKSA-N 306.406 3.230 10 10 DGCE CC(C)(C)OC(=O)N1CCCC[C@H](Nc2ccccc2N)C1 1959377620 QLQCZSQESDXNBC-ZDUSSCGKSA-N 305.422 3.470 10 10 DGCE CC(C)(C)OC(=O)N[C@]1([C@@H](N)c2ccccc2O)CC1(C)C 1960477595 RLLYYNKSOAJNPY-GUYCJALGSA-N 306.406 3.085 10 10 DGCE C[C@@H]1CCC[C@H](CNC(=O)OC(C)(C)C)N1CCCN=[N+]=[N-] 1962287053 FEOVKPHTAIXCAP-CHWSQXEVSA-N 311.430 3.455 10 10 DGCE CN(CCCN=[N+]=[N-])[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 1962305160 QOVHTIQRLMBJTN-STQMWFEESA-N 311.430 3.455 10 10 DGCE COc1cc(Cl)cc(CNCc2ncccc2Cl)c1O 1963422113 QXJRFGTWOVGGFL-UHFFFAOYSA-N 313.184 3.392 10 10 DGCE Oc1cc(Br)ccc1CNCc1ncoc1C1CC1 1965977377 VCLCQJACOUPSNR-UHFFFAOYSA-N 323.190 3.310 10 10 DGCE CC(C)(NCc1cc(Br)ccc1O)[C@H]1CCCO1 1967842903 FRLYWUHKUDKKHM-CYBMUJFWSA-N 314.223 3.202 10 10 DGCE COc1ccc(Br)c(CN[C@@]2(C)C[C@H]2C)c1O 1973063758 HIFMYCAPULHKJM-OQPBUACISA-N 300.196 3.051 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1NCc1c(O)cccc1F 1976877504 PTYFWTJVLDHXBS-ZIAGYGMSSA-N 324.396 3.067 10 10 DGCE CN[C@H](c1ccccc1O)[C@H]1C=CCCN1C(=O)OC(C)(C)C 1985687990 IFXSDHDWWKCHMF-GDBMZVCRSA-N 318.417 3.218 10 10 DGCE C[C@H](O)c1cc(F)c(N(Cc2ccccc2)C[C@@H](C)O)c(F)c1 1990406853 OAFVNHHWRCUZTP-OLZOCXBDSA-N 321.367 3.406 10 10 DGCE N[C@@H]1CCCc2cc(N3CCN(Cc4ccccc4)CC3)ccc21 2012679624 HONLRFIGLKMFLP-OAQYLSRUSA-N 321.468 3.345 10 10 DGCE C[C@@H]1CCO[C@@H]1CN(C)Cc1cccc(Br)c1O 2034984345 JKESDGGFFTYKNJ-ZWNOBZJWSA-N 314.223 3.012 10 10 DGCE CNCc1ccc(N(C)[C@@H]2CC[C@@H]3C[C@@H]32)c(Br)c1 2046852464 CLZCOPPKXUUZCM-MBNYWOFBSA-N 309.251 3.403 10 10 DGCE Cc1cc(Br)n(Cc2c(O)cccc2Cl)n1 2070161548 MTRABFULIHSAMZ-UHFFFAOYSA-N 301.571 3.361 10 10 DGCE Cc1cccc(O)c1Cn1nc(C2CC2)c(C(=O)O)c1C(F)F 2079081131 DFBMNXVUOVQKDK-UHFFFAOYSA-N 322.311 3.459 10 10 DGCE C[C@H](O)c1ccc(N(C)C[C@]2(Br)CC2(F)F)cc1 2082519550 SMWFYQPAFGZHDL-JOYOIKCWSA-N 320.177 3.349 10 10 DGCE Cc1cc([C@@H](N)c2ccc3c(c2)CCN3C)oc1Br 2106848752 MHUHTTAVIBKETL-AWEZNQCLSA-N 321.218 3.391 10 10 DGCE C[C@@H](O)c1ccc(N2CC=CCC23COC3)c(Br)c1 2137001269 DCGSBNHDOWOMSP-LLVKDONJSA-N 324.218 3.038 10 10 DGCE Cc1cc([C@H](C)N)ccc1N1CC(N(C)Cc2ccccc2)C1 2212703761 LGMSZHXTWGPRDH-INIZCTEOSA-N 309.457 3.335 10 10 DGCE C[C@@H](N)c1ccc(N(C)C[C@H](F)[C@@H]2CCOC2)cc1Cl 2238325102 XQKHKJVFVBRYGV-HFAKWTLXSA-N 300.805 3.171 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)c2cc(Br)co2)CC1 2258129159 UHOSISLMPFIATB-SECBINFHSA-N 313.155 3.347 10 10 DGCE Cc1cc(O)c([C@H](C)N(C)[C@@H](C)C[S@@](C)=O)cc1Cl 2270973193 IOMWOPNKNRWSMF-ZHYXMNDGSA-N 303.855 3.114 10 10 DGCE CSc1ncc(CN[C@@H]2CCCC[C@H]2[C@H]2CCCN2)s1 2284692751 WFUBQQNFPYRTGF-BFHYXJOUSA-N 311.520 3.265 10 10 DGCE CCN1N=C(C(F)(F)F)C(=Cc2cn(C)c3ccccc23)C1=O 2332128762 AEENZTPHKYQNLJ-UHFFFAOYSA-N 321.302 3.342 10 10 DGCE Cc1ccc(CN(C)c2cn(C)c(C)n2)c(O)c1Br 2352946636 MDWJFQBGGAKAQL-UHFFFAOYSA-N 324.222 3.141 10 10 DGCE CCN(C(=O)[C@@]12CC[C@@](C)(C(=O)C1=O)C2(C)C)c1ccccc1 8475832 XHWXJDPEVRFLIH-RBUKOAKNSA-N 313.397 3.004 10 10 DGCE Cc1oc(-n2cccc2)c(C#N)c1C(=O)Oc1ccc(C#N)cc1 19677427 PZFBJSPQXDKVBO-UHFFFAOYSA-N 317.304 3.341 10 10 DGCE COc1cccc(S[C@@H](C)C(=O)Nc2ccc(N)cc2)c1 21513156 FHRLUEKPFUABNU-NSHDSACASA-N 302.399 3.397 10 10 DGCE C#CCCOc1ccc(/C=C2\SC(=S)N(CC)C2=O)cc1 63274615 CGSHRJFEQVQHLU-KAMYIIQDSA-N 317.435 3.310 10 10 DGCE COC(=O)c1ccccc1/N=N/c1c(C(F)(F)F)n[nH]c1O 75892274 NARNHUVXVSIGKL-WUKNDPDISA-N 314.223 3.336 10 10 DGCE COC[C@](C)(NCc1cc(OC)ccc1O)c1ccccc1 154705235 ADLQYCVKRDCKQQ-SFHVURJKSA-N 301.386 3.052 10 10 DGCE O=C(NCc1ccc(O)c(O)c1)[C@@H]1C[C@@H]1c1cccc(Cl)c1 159107312 CRDXUNVPFQECFE-ZIAGYGMSSA-N 317.772 3.171 10 10 DGCE Cc1ccc(O)c([C@H](C)NCc2cccnc2-n2ccnc2)c1 184989342 AGUYUKWFPFBZCL-AWEZNQCLSA-N 308.385 3.132 10 10 DGCE CC[C@H](NC[C@@H](O)c1ccccc1OC)c1ccccc1O 186122889 UCRLXNSAVQWMSJ-DOTOQJQBSA-N 301.386 3.175 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@H](C)c2ccncc2OC)c1 188796897 LKNXYFWFLUCPQV-NEPJUHHUSA-N 302.374 3.216 10 10 DGCE CCOC(=O)[C@@H](NCCN=[N+]=[N-])c1cc(Cl)ccc1Cl 233679217 TWRDYWUIIUAUDX-NSHDSACASA-N 317.176 3.498 10 10 DGCE CC(=O)N(C(=O)c1c(F)cccc1Cl)c1ccc(N)cc1 244322670 XJIISUHGQFKCJI-UHFFFAOYSA-N 306.724 3.255 10 10 DGCE C[C@H](C[S@](C)=O)N[C@H](C)c1ccc(N2CCCCC2)cc1 248506349 WSQMBPDCSKALRN-PZPWOCDFSA-N 308.491 3.095 10 10 DGCE Cc1cc(Cl)cc(CN2CC=C(c3ccnn3C)CC2)c1O 289586312 UHERISCGAJMROY-UHFFFAOYSA-N 317.820 3.377 10 10 DGCE Nc1ccc(Nc2ccc3nccnc3c2Br)nc1 311343495 LMOVDNNWLGCUIA-UHFFFAOYSA-N 316.162 3.113 10 10 DGCE C[C@@H](CCOCc1ccccc1)NCc1ccc(O)cc1O 389947804 QZGAFLUGMINZAW-AWEZNQCLSA-N 301.386 3.183 10 10 DGCE CC(C)NCc1ccc(N2CC(OC(F)F)C2)c(Cl)c1 398938716 IONINPYECASNHA-UHFFFAOYSA-N 304.768 3.266 10 10 DGCE Cc1ccc(N2C(=O)/C(=C\c3cocn3)SC2=S)cc1 588579001 JRXLBOKREYLWBS-WUXMJOGZSA-N 302.380 3.389 10 10 DGCE C[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C)c1ccccc1O 704620538 KLKSSYIJQPRCBZ-GZBFAFLISA-N 320.433 3.441 10 10 DGCE O=C(N[C@@H](c1ccccc1)c1ccncc1)c1cc(O)cs1 732266492 DTYOYWBKDCDSEP-INIZCTEOSA-N 310.378 3.368 10 10 DGCE CN(Cc1ccccc1O)C(=O)N[C@@H](c1cccnc1)C1CC1 759685074 RWILASHUVMNFDW-QGZVFWFLSA-N 311.385 3.080 10 10 DGCE Oc1c(F)cc(Cl)cc1CN1CC[C@@H](Oc2ccncc2)C1 789768422 GZJKQVKQHLORRT-CQSZACIVSA-N 322.767 3.233 10 10 DGCE C[C@@H](NC[C@](C)(O)C1CCCCC1)c1cc([N+](=O)[O-])ccc1O 790703838 UQIUGPIBIKKEMV-PXAZEXFGSA-N 322.405 3.282 10 10 DGCE CCCCCNC(=O)NCc1cc(Br)ccc1O 794804828 QTCDKGTXSXXEOG-UHFFFAOYSA-N 315.211 3.144 10 10 DGCE CO[C@@H]1CC[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 821033044 KAYJMVMIIFIWON-MAUKXSAKSA-N 316.445 3.059 10 10 DGCE CC/C(C)=C/C(=O)NC1CCN(c2ccc(OC)cc2)CC1 823003319 FHAJBHMAYPBDGF-BUHFOSPRSA-N 302.418 3.137 10 10 DGCE Cc1ccc(O)c([C@@H](C)NC[C@]2(CO)CCc3ccccc32)c1 846181538 ZSVJUXTVLXNTHA-QRWLVFNGSA-N 311.425 3.228 10 10 DGCE C[C@@H](CNC/C=C\c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C 848564738 HSDHUHHGJJOLCI-LZNQSLFOSA-N 318.461 3.333 10 10 DGCE CCOc1cccc(CNCC[C@@H]2CC2(Cl)Cl)c1O 856806133 ATYSDHMHJZMOJF-LLVKDONJSA-N 304.217 3.464 10 10 DGCE COc1cccc(O)c1CNC[C@@]1(C)CCOC2(CCC2)C1 886344812 LSVOESVAXPPVDW-KRWDZBQOSA-N 305.418 3.230 10 10 DGCE COc1cc(O)c(CN2CCC[C@@H]2COC(C)(C)C)cc1OC 905725165 PPXWTWCUSINFFP-CQSZACIVSA-N 323.433 3.189 10 10 DGCE O=Nc1ccc(N(O)N=Nc2ccc(S(=O)(=O)O)cc2)cc1 1084473457 DIGDLRKUUTZXHH-UHFFFAOYSA-N 322.302 3.226 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1C[C@H]2C=C[C@H]1CC2 1255761592 HRZWJJXEQMVLHR-ZVZYQTTQSA-N 313.445 3.249 10 10 DGCE O=C(NCc1cccc(Cl)c1O)c1nc(Cl)cs1 1472317172 YAIQBSBPIFCGAT-UHFFFAOYSA-N 303.170 3.086 10 10 DGCE CN(C(=O)/C=C/c1ccc(Cl)nc1)c1cccc(Cl)n1 1524841720 QLBXALMBKJMQDF-SOFGYWHQSA-N 308.168 3.460 10 10 DGCE Cc1ccc(O)c(CNC(=O)/C=C\SCc2ccco2)c1 1557552273 AYPFCXMXHODVEY-VURMDHGXSA-N 303.383 3.357 10 10 DGCE COc1cccc(CNC(=O)C/C=C/Cc2ccccc2)c1O 1566374208 YRSASUUSDMTEPL-AATRIKPKSA-N 311.381 3.206 10 10 DGCE CCCC(=O)N[C@H]1CC[C@H](NCc2ccc(OC)c(C)c2)CC1 1568099247 FKYVMWRBSLHIFV-QAQDUYKDSA-N 318.461 3.321 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)/C=C\c2ccccc2)cc1 1586649935 SSXTZIPBBJTCIE-ZROIWOOFSA-N 324.424 3.303 10 10 DGCE O=C(NCc1cc(O)ccc1O)[C@@H]1CCC[C@H]2CCCC[C@H]21 1593872968 IOSQOZICKDGRTF-DAXOMENPSA-N 303.402 3.321 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)c1cc2cnccc2[nH]1 1622664598 YRUAICLCEALBKF-UHFFFAOYSA-N 321.380 3.077 10 10 DGCE C[C@@H](NC(=O)[C@H](c1ccccc1)n1cccn1)c1ccccc1O 1648889747 JZPJMRDTFBPEQK-KDOFPFPSSA-N 321.380 3.056 10 10 DGCE Cc1ccc(CN[C@]2(C)CCN(Cc3ccccc3)C2)c(O)c1 1652754000 FBPFFARWEUWAKI-HXUWFJFHSA-N 310.441 3.455 10 10 DGCE CCN(C[C@H]1CC[C@@H](C2CC2)O1)c1ccc(OC)c(OC)c1 1653749373 LZXPKRLTQKXXLE-CVEARBPZSA-N 305.418 3.488 10 10 DGCE CC(=O)c1cc(Cl)cc(CNC2([C@H]3CCCO3)CCC2)c1O 1660641182 GKXZJPFSBFXBKQ-OAHLLOKOSA-N 323.820 3.440 10 10 DGCE CCN1N=C(c2ccccc2)/C(=C/c2ccccc2C(=O)O)C1=O 1865673991 ISTCPAKJPIZZRO-VBKFSLOCSA-N 320.348 3.035 10 10 DGCE COc1cc(C(=O)Nc2ccc(N)cc2)ccc1Br 1876904913 DBQRVCABZPJAJA-UHFFFAOYSA-N 321.174 3.292 10 10 DGCE C[C@H](O)CN(Cc1ccccc1)c1ccc(CO)c(C2CC2)c1 1901155759 FIKCOQKJBFFUFD-HNNXBMFYSA-N 311.425 3.444 10 10 DGCE [N-]=[N+]=NC1CN(C(=O)c2cc(Cl)c(Cl)c([N+](=O)[O-])c2)C1 1912207980 OBYUWROTIWAPCF-UHFFFAOYSA-N 316.104 3.036 10 10 DGCE O=C(O)C=Cc1ccc(N2CC3(CC3)C2)c(Br)c1 1914641407 BTGFJTFZNCIVKH-UHFFFAOYSA-N 308.175 3.147 10 10 DGCE CN[C@@H](c1ccccc1O)[C@H]1CCCCN1C(=O)OC(C)(C)C 1936985112 ZYVBYXASHVXHEH-ZBFHGGJFSA-N 320.433 3.442 10 10 DGCE CC1(C)[C@@H](NCc2cc(Br)ccc2O)C1(F)F 1948212246 KGUDHNVMWTXCME-SNVBAGLBSA-N 306.150 3.288 10 10 DGCE Cc1csc([C@H](NN)c2ccccc2O)c1Br 1950857153 SZQPZJYKHQKWTM-LLVKDONJSA-N 313.220 3.077 10 10 DGCE Cc1cc(O)c([C@H]2CNCCCN2C(=O)OC(C)(C)C)cc1C 1953030215 AEBBZIQCYCWRHJ-OAHLLOKOSA-N 320.433 3.281 10 10 DGCE CN(c1ccc(CO)c(Br)c1)[C@H]1CCC[C@@H]1F 2006782071 STBDSVMFLNQQDJ-STQMWFEESA-N 302.187 3.268 10 10 DGCE OC[C@@H](C1CC1)N(Cc1ccccc1)c1ccc2c(c1)CC[C@@H]2O 2012706274 AKFNBFLRWKDOMS-SFTDATJTSA-N 323.436 3.444 10 10 DGCE CC1(C)CCOCCN1Cc1cc(Br)ccc1O 2062071157 FFMRBPRVSQXMQY-UHFFFAOYSA-N 314.223 3.156 10 10 DGCE CN[C@@H](C)c1ccc(N2Cc3conc3C2)cc1Br 2104150888 QRKYCGFISUJTGX-VIFPVBQESA-N 322.206 3.238 10 10 DGCE CN(Cc1cc(Cl)cc(Cl)c1O)[C@@H]1CCOC[C@@H]1F 2130200030 DVJWOAZBBZOYHX-NWDGAFQWSA-N 308.180 3.258 10 10 DGCE C[C@@H](O)c1ccc(N(C)Cc2cc(Cl)n(C)n2)cc1Cl 2166505818 FUPYYIOUEQHRDT-SECBINFHSA-N 314.216 3.417 10 10 DGCE CN[C@H](C)c1ccc(N2C[C@@H](OC)C[C@@H]2CF)cc1Cl 2190233478 WABFFFFBTOHFHI-RTXFEEFZSA-N 300.805 3.184 10 10 DGCE CC(C)(C)OC(=O)N1C[C@](N)(c2ccccc2O)CCC12CC2 2211197854 VFZVCJXDBMQWBV-SFHVURJKSA-N 318.417 3.110 10 10 DGCE CC(C)n1nc(Br)cc1NCCc1ccc(N)cc1 2224269866 KNXJUCYNWJCMSM-UHFFFAOYSA-N 323.238 3.463 10 10 DGCE O=C1C(=Cc2cccc(O)c2)SC(=S)N1c1cccnc1 2293671938 RTIVSAYORIBYQZ-UHFFFAOYSA-N 314.391 3.193 10 10 DGCE CSCCCN1C(=O)C(=Cc2cccnc2C)SC1=S 2297486908 VWKGNWJKODFBDA-UHFFFAOYSA-N 324.496 3.344 10 10 DGCE COC(=O)C1=C(C)N(C)C(=O)C1=Cc1ccc(C(C)(C)C)cc1 2313577456 YGURELKHMNJSKC-UHFFFAOYSA-N 313.397 3.287 10 10 DGCE Cc1ccc(CNC[C@@H]2C[C@H]2C(F)F)c(O)c1Br 2327611668 FSONFKOPYCVRDZ-VHSXEESVSA-N 320.177 3.454 10 10 DGCE CO[C@H]1CCC[C@@H]1NCc1ccc(C)c(Br)c1O 2327620238 BCLGUILZQMROQL-RYUDHWBXSA-N 314.223 3.120 10 10 DGCE CCN(CC)C(=O)NCc1ccc(C)c(Br)c1O 2327802255 YEUAHMJAOHAITM-UHFFFAOYSA-N 315.211 3.015 10 10 DGCE COCCN(CCOC)N=Nc1ccc(OCC(C)C)cc1 2330225998 UNVGCSZNTAXALX-UHFFFAOYSA-N 309.410 3.315 10 10 DGCE CCCC1=NN(CCC)C(=O)C1=Cc1ccc(OC)cc1OC 2332140399 BZVAYZCTPRCLBZ-UHFFFAOYSA-N 316.401 3.496 10 10 DGCE Cc1cccc(CNCc2ccc(C)c(Br)c2O)n1 2352684157 OQCQGYXDCYUPTM-UHFFFAOYSA-N 321.218 3.456 10 10 DGCE CCN(C[C@H]1CCCO1)c1ccc(CN)c(C(F)(F)F)c1 48952377 LNVGZHFOKRBQMO-CYBMUJFWSA-N 302.340 3.169 10 10 DGCE Nc1ccc(OC[C@H](O)CSc2cccc(Cl)c2)cc1 54185171 BJUMYYDIBKKOBW-ZDUSSCGKSA-N 309.818 3.454 10 10 DGCE COc1ccc2c(c1)N[C@](C)(C(C)C)CN2C1CCNCC1 76931175 AZWOXPKFEDLWFK-SFHVURJKSA-N 303.450 3.094 10 10 DGCE CC[C@H](N[C@@H](C)C(=O)N1CCCCC1)c1ccc(N(C)C)cc1 89593223 XPONFCYUWDFAQZ-YJBOKZPZSA-N 317.477 3.194 10 10 DGCE COC(=O)c1cc2ccccc2c(CN(C)CC(F)F)c1O 103458773 QFFQXVXUGAPJOZ-UHFFFAOYSA-N 309.312 3.029 10 10 DGCE O=C(NCCC1=CCCC1)NCc1ccc(N2CC=CC2)cc1 121354712 PFSODUUOYPKTOR-UHFFFAOYSA-N 311.429 3.362 10 10 DGCE CC[C@H](COC)NC(=O)c1cc(C)n(-c2ccccc2)c1C 133421468 DBSYMKJLJOGTDQ-OAHLLOKOSA-N 300.402 3.249 10 10 DGCE CCO[C@@H]1CCCN(c2ccc(CN)cc2C(F)(F)F)C1 163698243 VQJGIBMMZDVMDV-GFCCVEGCSA-N 302.340 3.169 10 10 DGCE CC[C@H](NCc1nnc2ccccn12)c1ccc(N(C)C)cc1 183806347 SLVQBYFVNQMWHG-INIZCTEOSA-N 309.417 3.036 10 10 DGCE CNC(=O)c1ccc(C)c(N[C@@H](C)c2cc(OC)ccc2O)c1 192804154 JSRZULPCZPLZPT-LBPRGKRZSA-N 314.385 3.242 10 10 DGCE CNCc1ccc(N(CCO)Cc2ccccc2)cc1Cl 234420950 JMJLIJJGKGJEIW-UHFFFAOYSA-N 304.821 3.058 10 10 DGCE CCCOc1ccc(CN(C)[C@H]2CCN(C)[C@@H](C)C2)c(O)c1 245742557 MBCAUUZWXDFRJQ-HOCLYGCPSA-N 306.450 3.096 10 10 DGCE C[C@](O)(CNCc1cc(Cl)c(F)cc1O)c1ccccc1 293763617 ZFUYKOBTCAASBU-INIZCTEOSA-N 309.768 3.182 10 10 DGCE N[C@@H]1CCCN(c2ccc(OCOCc3ccccc3)cc2)C1 303827569 WUSXYPDUGLHNQF-QGZVFWFLSA-N 312.413 3.167 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCC12CCOCC2 375728490 BVSWHTVGSWTWAN-UHFFFAOYSA-N 302.201 3.454 10 10 DGCE CC[C@@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2O)[C@H](C)CO1 403825907 MMHOTISPYQMPAT-QMTHXVAHSA-N 311.809 3.248 10 10 DGCE O=C(/C=C\c1cnc2ccccc2n1)N1CCCc2ncccc21 490946885 FTZMROSLVJYPIA-KTKRTIGZSA-N 316.364 3.017 10 10 DGCE Cc1ccc(/C=C\C(=O)N(C[C@H]2CCCO2)c2ccncc2)cn1 492551628 ULXXKDPSEVRYIQ-HPFMTEOYSA-N 323.396 3.010 10 10 DGCE O=C(NCc1ccc(Cl)c(Cl)c1)c1ccc(O)c(O)c1 690291373 PATNJRKLKLGKPV-UHFFFAOYSA-N 312.152 3.335 10 10 DGCE CC[C@H](N[C@@H]1C[C@]1(C)OC)c1cc(Br)ccc1O 694442288 LKLKOIQSYQXDAP-YUTCNCBUSA-N 314.223 3.373 10 10 DGCE Nc1ccc(CC[C@H](O)Cc2coc(Br)c2)cc1 695878385 PKADILXZMSGYOL-ZDUSSCGKSA-N 310.191 3.161 10 10 DGCE Cc1c(CN[C@@H]2CCCC3(C2)OCCO3)n(C)c2ccccc12 715675299 UYUBAQJLSHMJGV-OAHLLOKOSA-N 314.429 3.262 10 10 DGCE O=C(NCCCCOCc1ccccc1)c1cc(O)cs1 732279659 PLMZUCTYRFLTKG-UHFFFAOYSA-N 305.399 3.181 10 10 DGCE CCOc1cccc(CNC[C@]2(O)CCCC(C)(C)C2)c1O 782534418 CPQAOZFCZTUHGA-SFHVURJKSA-N 307.434 3.212 10 10 DGCE CCN(CC)c1ccc(CNC(=O)NC(C)(C)C(F)F)cc1 792041353 UPWXXMCIAOQNRP-UHFFFAOYSA-N 313.392 3.376 10 10 DGCE CCOC(=O)[C@@H]1CC[C@H](N[C@@H](CC)c2ccc(C)cc2O)C1 798003965 UJCLRCSGLWNJLQ-YCPHGPKFSA-N 305.418 3.473 10 10 DGCE Cn1nncc1COc1ccc(N2CCCCC2)c(Cl)c1 817382020 OAFDNAVXZLKSEC-UHFFFAOYSA-N 306.797 3.038 10 10 DGCE COc1ccc(N2CC[C@H](N[C@H]3CS[C@H](C(C)C)C3)C2)cc1 826845866 MNWHOEJFRVBRFD-DAYGRLMNSA-N 320.502 3.394 10 10 DGCE COc1ccc(O)c(CNC(=O)C2CC3(CCCCC3)C2)c1 830543915 IIOWDRFDAQVDMF-UHFFFAOYSA-N 303.402 3.378 10 10 DGCE Cc1cc(O)c(CNCc2nn(C)cc2Cl)c(Cl)c1 840950124 FJVPRNACGHCGSS-UHFFFAOYSA-N 300.189 3.031 10 10 DGCE CCO[C@@H]1C[C@@H](NC/C=C\c2ccc(N(C)C)cc2)[C@@H]1SC 842767737 GWRNYWGVYHARAN-WDYWZEPKSA-N 320.502 3.264 10 10 DGCE CCN(CC)c1ccc(CN2CCC[C@@H]([C@@H]3CCCN3)C2)cc1 843044785 JFTAFKNSBIQHNR-QUCCMNQESA-N 315.505 3.497 10 10 DGCE C[C@H](N[C@H](c1ccccc1F)[C@@H](C)O)c1cc(F)ccc1O 846185115 ZTMNXRNBGYJHMJ-RVPKQNPDSA-N 307.340 3.443 10 10 DGCE COc1ccc(O)c([C@@H](C)NC[C@@H]2Cc3ccccc3CO2)c1 858453400 KVPDUOHGMVGVPB-DYVFJYSZSA-N 313.397 3.193 10 10 DGCE CCOC(=O)c1cc(CN[C@@H](C)c2c(C)cc(C)cc2O)on1 866515254 FBIJGDUUJZESKT-LBPRGKRZSA-N 318.373 3.025 10 10 DGCE COC[C@@H](C)OC(=O)NCc1ccc(N2CCC(C)CC2)cc1 866753398 RHFXUVACUISONF-OAHLLOKOSA-N 320.433 3.184 10 10 DGCE Cc1cc(O)c(CNC[C@@H]2CC[C@]3(CO[C@H](C)[C@@H]3C)O2)cc1C 886338256 IXRFSYWWYUQZMS-JHDROBOHSA-N 319.445 3.071 10 10 DGCE CCC1CCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])CC1 917091124 KJJUNJSUCWZWHO-ALCCZGGFSA-N 318.373 3.407 10 10 DGCE CS[C@@H]1CCCC[C@H]1NC(=O)NCc1c(O)cccc1F 923059811 AEBODROHFPUYMU-TZMCWYRMSA-N 312.410 3.005 10 10 DGCE CC(=O)c1cc(F)cc(CN2CC[C@@H](O)c3ccccc32)c1O 934080273 ZIFZLKFDKSAEMS-QGZVFWFLSA-N 315.344 3.178 10 10 DGCE COc1ccc(CNC(=O)NC[C@H]2C[C@H]2C2CCCC2)c(O)c1 1256435446 FVSLAOYOLZMWCM-ZBFHGGJFSA-N 318.417 3.026 10 10 DGCE CC[C@@H](NCCOCCCO)c1cc(Cl)cc(Cl)c1O 1258392051 RCBCMAHZTZYEMV-CYBMUJFWSA-N 322.232 3.139 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](C)c1ncc[nH]1 1306847657 RIOIIJJRIQEJKJ-LBPRGKRZSA-N 314.414 3.370 10 10 DGCE COc1ccc(CNC(=O)NCC2C[C@@H](C)C[C@H](C)C2)c(O)c1 1312985259 WCUUDSMJSMSSRY-STQMWFEESA-N 320.433 3.272 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)[C@H](C)CCN(C)C 1568137437 RSHTWWCNQMXMPO-OAHLLOKOSA-N 306.450 3.109 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)C[C@@H]2CCC[C@@H]2C)cc1 1585450345 UEXIPNKCMYLVAH-HOTGVXAUSA-N 318.461 3.416 10 10 DGCE O=C(NCc1c(O)cccc1O)c1cc(Cl)ccc1Cl 1597569784 SZDOZAYWWPOWIW-UHFFFAOYSA-N 312.152 3.335 10 10 DGCE CCOc1cc(NCc2ccc3c(c2)CCCN3C)nc(C)n1 1642147912 GHRPTIZFJIXHKG-UHFFFAOYSA-N 312.417 3.178 10 10 DGCE C[C@@H](NC(=O)c1cc2ccccc2c(O)n1)c1ccccc1O 1643738781 QKVKDXBPZOEZSZ-LLVKDONJSA-N 308.337 3.137 10 10 DGCE COC(=O)c1cnc(Sc2ccncc2C(F)(F)F)s1 1651096486 WOJXUJQBVFCZOD-UHFFFAOYSA-N 320.317 3.495 10 10 DGCE CCCN1N=C(C(F)(F)F)/C(=C/c2ccc(OC)cc2)C1=O 1865680109 XWDMEJJHHCQXBW-XFXZXTDPSA-N 312.291 3.249 10 10 DGCE CN1CCc2cc([C@H](N)c3sc(Cl)nc3Cl)ccc21 1886649385 GZCALVOQKOJWNN-JTQLQIEISA-N 314.241 3.490 10 10 DGCE Oc1cc(Br)ccc1CNCC=CBr 1925894554 AGFYFGVMZCIRSA-UHFFFAOYSA-N 321.012 3.153 10 10 DGCE Oc1cc(Br)ccc1CNCc1cnc(C2CC2)o1 1967726135 UZUFUWSZIGXGGW-UHFFFAOYSA-N 323.190 3.310 10 10 DGCE CN(C)c1ccc([C@H](O)[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)cc1 1977939032 NCKYQYIULDUPRI-DZKIICNBSA-N 320.433 3.089 10 10 DGCE C[C@H]1CN(c2ccc(N)cc2)C[C@@H](C)[C@@H]1NC(=O)OC(C)(C)C 1977943963 YKGGETHNQGXIJW-VIKVFOODSA-N 319.449 3.254 10 10 DGCE CCC[C@](O)(CNC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1977957563 GPUJWPWYKMCOPM-SFHVURJKSA-N 322.449 3.265 10 10 DGCE CCN[C@H](C[C@H]1CCN1C(=O)OC(C)(C)C)c1ccccc1O 1979140108 KFCAOPCYRNVYEC-UKRRQHHQSA-N 320.433 3.442 10 10 DGCE CCC(CC)n1nc(C(=O)Nc2ccc(O)c(O)c2)cc1C 2062135778 HKDILCIQOUDSHC-UHFFFAOYSA-N 303.362 3.216 10 10 DGCE CN[C@H]1CCc2cc(N3CCC(=CBr)C3)ccc21 2065065187 IMPJCCRZVRQZKH-HNNXBMFYSA-N 307.235 3.382 10 10 DGCE Cc1ccc([C@H](C)n2ncc(C(=O)OC(C)(C)C)c2O)c(O)c1 2070487224 COZBMBLGZAAOKC-NSHDSACASA-N 318.373 3.167 10 10 DGCE CCn1cccc1CN(C)c1ccc(CN)c(Br)c1 2114547947 RUCBDJAWTUOLST-UHFFFAOYSA-N 322.250 3.366 10 10 DGCE N[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CC2(CCC2)C1 2151124670 CMMPQFNQUWWESP-LBPRGKRZSA-N 315.244 3.402 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)c2cc(Cl)nnc2Cl)CC1 2155551958 NIOQGGYUIGXAPW-ZETCQYMHSA-N 315.164 3.088 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)c2cc(Cl)c(F)cc2F)C1 2179365394 OHYRFBXLXNRJKP-ZETCQYMHSA-N 300.696 3.391 10 10 DGCE C[C@@H](N)c1ccc(N2CC(O)(c3cccs3)C2)cc1Cl 2193356439 WIRJQCRGDNUNIS-SNVBAGLBSA-N 308.834 3.129 10 10 DGCE Nc1ccc2c(ccn2Cc2ncsc2Br)c1 2213770152 DOWWDCSSRZAGCQ-UHFFFAOYSA-N 308.204 3.491 10 10 DGCE CSc1ncc(CNc2cc(C=O)sc2[N+](=O)[O-])s1 2269089663 FFJNMBSKSHMCST-UHFFFAOYSA-N 315.401 3.259 10 10 DGCE COc1cc(CNCc2cnc(SC)s2)cc(Cl)n1 2278198532 KELPAUVNKJDOLS-UHFFFAOYSA-N 315.851 3.212 10 10 DGCE CN[C@H](c1cc(Cl)cs1)[C@@H](O)c1ccc(N(C)C)cc1 2290198591 COELPNSCYMNBRC-CABCVRRESA-N 310.850 3.462 10 10 DGCE Cc1ccc(C=C2C(=O)NN(c3cccc(Cl)c3)C2=O)s1 2297533209 IPYQERJDPXXWGU-UHFFFAOYSA-N 318.785 3.171 10 10 DGCE CC(C)C[C@@H](C)NC(=O)C=Cc1ccc(N2CCOCC2)cc1 2303358479 QSSCQXBYPULDHD-MRXNPFEDSA-N 316.445 3.087 10 10 DGCE Cc1ccc(CN2CCS[C@@H](C)C2)c(O)c1Br 2307570108 IWSHYSOBNULAIR-JTQLQIEISA-N 316.264 3.400 10 10 DGCE O=C(Nc1cccc(N2CCOCC2)c1)c1ccc2[nH]ccc2c1 107564505 JQKACKWPGOKCGJ-UHFFFAOYSA-N 321.380 3.257 10 10 DGCE CSc1ccccc1OCC(=O)N(C)c1ccc(N)cc1 110980106 CKYLAGJXOOTQBW-UHFFFAOYSA-N 302.399 3.033 10 10 DGCE Cc1ccc(CC(=O)NCc2ccc(N(C)C)cc2C)s1 115281262 LDXZLJJGUZIYBG-UHFFFAOYSA-N 302.443 3.290 10 10 DGCE c1cc(N2CCOCC2)ccc1CNCC1(C2CC2)CCC1 127512416 WLXKFGLAPKHJCN-UHFFFAOYSA-N 300.446 3.193 10 10 DGCE CCOC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 36100103 WRCVLMZRTJRDEP-QGZVFWFLSA-N 319.449 3.026 10 10 DGCE CNc1c(Cl)ncnc1NCc1ccc(N2CC=CC2)cc1 124988276 WBINGYDAZQWWDG-UHFFFAOYSA-N 315.808 3.160 10 10 DGCE COc1ccc(O)c([C@@H](C)Nc2ccc3oc(=O)n(C)c3c2)c1 186438821 XQOSPRQZDVVVJH-SNVBAGLBSA-N 314.341 3.019 10 10 DGCE C[C@@H]1OCC[C@H]1N(C)c1ccc([C@@H](C)N)cc1Br 159719526 ZSPCVNMAFNBCTQ-GBIKHYSHSA-N 313.239 3.082 10 10 DGCE NCCc1cccc2c1ccn2CCCOCC(F)(F)F 80355032 YCYYZZHIAWZKPD-UHFFFAOYSA-N 300.324 3.112 10 10 DGCE C[C@@H](C(=O)Nc1ccc(N)cc1)[S@@](=O)c1ccccc1Cl 40961745 YODIXBIBVYHIGU-CWKPULSASA-N 322.817 3.057 10 10 DGCE Cc1cccc(CNC[C@H]2CCCN2C(=O)OC(C)(C)C)c1O 224829903 SZFFWUDMDODBEL-OAHLLOKOSA-N 320.433 3.190 10 10 DGCE CC(=O)N(C(=S)Nc1ccc(F)cc1)c1ccc(N)cc1 243427641 MXHWSQKURQGYKF-UHFFFAOYSA-N 303.362 3.158 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CC[C@@]3(CCCOC3)C2)c1O 375284845 VEYDPBDYGYYMFL-KRWDZBQOSA-N 323.820 3.251 10 10 DGCE CC[C@H](C)[C@@H](NC(=O)c1ccccc1C(=O)N=N)/C(O)=C\N=N 575116339 UIKXJFWUZGAGQF-VPVBZFGHSA-N 317.349 3.433 10 10 DGCE CC(C)C[C@@H](C(=O)O)N(C)C/C=C/c1ccc(N(C)C)cc1 902019753 SHPYTKFWYYUVAQ-LXXRFIIISA-N 304.434 3.197 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@@H](CC(C)(C)C)C(=O)O)cc1 901806336 PNKLWKFUIJCZNJ-MOEXGYKKSA-N 304.434 3.245 10 10 DGCE COc1cc(C)c(NC(=O)NCc2ccccc2O)cc1OC 748438305 HTJHCRXCKQCWQZ-UHFFFAOYSA-N 316.357 3.040 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1nncs1 918541215 AZHKLHATBFIWPQ-UHFFFAOYSA-N 319.434 3.047 10 10 DGCE C[C@H](N[C@H]1C[C@H](OC(C)(C)C)C1)c1cc([N+](=O)[O-])ccc1O 848565320 JCZSXNZVJRFTMB-GVXVVHGQSA-N 308.378 3.297 10 10 DGCE CCOc1ccc(CN[C@H](C)[C@@](C)(O)c2ccccc2)c(O)c1 846039243 PZRPHYZVIJPBKZ-AUUYWEPGSA-N 315.413 3.177 10 10 DGCE COc1ccc(N2CC[C@H](NCc3ccc(Cl)nc3)C2)cc1 850346461 GEDSFAUVINCNKC-AWEZNQCLSA-N 317.820 3.112 10 10 DGCE CC[C@H](C)N(CC)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 854295792 CEVPMVACNGYJKK-GJZGRUSLSA-N 319.449 3.104 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)c3sccc3C)C2)cc1 855235146 YYVKPCSGOLFBAW-ZDUSSCGKSA-N 316.426 3.074 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)c1oc(C2CC2)nc1C 759096314 UFMZZNUISRHACI-UHFFFAOYSA-N 313.401 3.165 10 10 DGCE CC[C@H](COCC1CC1)NCc1c(O)ccc(Cl)c1F 850351660 QVJISFNNHYOKCJ-LLVKDONJSA-N 301.789 3.480 10 10 DGCE CCO[C@H](CCNC(=O)N[C@@H](C)c1ccccc1O)C(C)C 868328502 HEFKWUYKDDRPGW-XJKSGUPXSA-N 308.422 3.204 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@@H]2CC23CC3)cc1 862035689 CJYGIIQYAAWFRO-GOSISDBHSA-N 322.408 3.118 10 10 DGCE C[C@@H](NCc1csc(-c2ccn(C)n2)n1)c1ccccc1O 879650266 SMYDDFCCXJTVGD-LLVKDONJSA-N 314.414 3.100 10 10 DGCE CC[C@@H](NCc1ccc2c(c1)CCCN2C)[C@H]1CCCOC1 872029557 RUJPXVDIJDWZEF-ZWKOTPCHSA-N 302.462 3.364 10 10 DGCE Oc1c(F)cc(F)cc1CN1CCC2(CCC(O)CC2)CC1 894872203 ZRZOWLGSLYODIS-UHFFFAOYSA-N 311.372 3.188 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)c1cncc(F)c1Cl 895485300 PEJQDPNQBDNJON-UHFFFAOYSA-N 321.783 3.212 10 10 DGCE CN(C)c1ccc(/C=C\CN2CC[C@H]([C@@H]3CCCO3)C2)cc1 895842610 ICZHRNQUDZEYTO-HWTQTHBUSA-N 300.446 3.267 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCN(C(C)C)C1 1137346667 HNZQKKHIIFREDX-QGZVFWFLSA-N 318.461 3.251 10 10 DGCE CC(C)[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1F 1146406046 CHNIKRYYJIAGER-GOSISDBHSA-N 317.360 3.293 10 10 DGCE CN(c1ccc(N)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1959569454 TUDSZHLKLCWCQR-OAHLLOKOSA-N 305.422 3.105 10 10 DGCE COC(=O)c1sc(N[C@@H](C)c2ccccc2O)nc1Cl 1163935740 GBJPFMLMDSVXCZ-ZETCQYMHSA-N 312.778 3.462 10 10 DGCE CCOc1ccc(N2CC[C@H](CNCc3ccccn3)C2)cc1 76364915 SGJPZIMBWHBQGX-MRXNPFEDSA-N 311.429 3.096 10 10 DGCE CC(C)(C)OC(=O)N1CC2(CCN(CCCN=[N+]=[N-])CC2)C1 1962302528 ZKWMCTBWZKYDCW-UHFFFAOYSA-N 309.414 3.020 10 10 DGCE C[C@@H](N)c1ccc(N2CCN(Cc3ccccc3)[C@H](C)C2)cc1 396422628 DOBFGXALTSWQMT-IAGOWNOFSA-N 309.457 3.417 10 10 DGCE C[C@H](N)c1ccc(N2C[C@@H]3[C@@H](C2)C3(F)F)cc1Br 715487885 BVPBRSONGHRJRP-WHGOUJPWSA-N 317.177 3.170 10 10 DGCE CCN(CCc1ccc(Br)cn1)c1ccc(N)cc1 695739335 LDEULYYMBLBZDY-UHFFFAOYSA-N 320.234 3.495 10 10 DGCE O=C(CCCCc1cccc(O)c1)NCc1c(O)cccc1F 1350609438 DKJYBIVDMCTJOC-UHFFFAOYSA-N 317.360 3.266 10 10 DGCE CC(C)Oc1ccc(F)cc1NC(=O)Cc1ccc(O)c(O)c1 1292716195 CIHXHQWECRACPN-UHFFFAOYSA-N 319.332 3.205 10 10 DGCE Cc1ccc(C(=O)NCc2ccc(O)cc2O)c(Cl)c1C 1469160802 TYXVALYELGCGFK-UHFFFAOYSA-N 305.761 3.298 10 10 DGCE COC(=O)CN(CCC1CCC1)Cc1cc(Cl)ccc1O 1615935607 QYSWNEPVGVCQFC-UHFFFAOYSA-N 311.809 3.211 10 10 DGCE O=C(NCc1c(O)cccc1F)N[C@H]1C[C@@H]1c1cccc(F)c1 1634725104 NWQRQMZRXCLPKL-DOMZBBRYSA-N 318.323 3.026 10 10 DGCE O=C(CCc1cccc(F)c1F)NCc1c(O)cccc1F 1652295863 TYHDKEHKHZZALU-UHFFFAOYSA-N 309.287 3.059 10 10 DGCE CN(C)c1cccc(NC(=O)c2cccc(N3CCCC3=O)c2)c1 1868164832 CFGJUFCLRAGVFK-UHFFFAOYSA-N 323.396 3.132 10 10 DGCE COC1(OC)CC(CNCc2cc(Cl)cc(Cl)c2O)C1 1651700687 DGBZWDJCVJNZSH-UHFFFAOYSA-N 320.216 3.188 10 10 DGCE CN[C@@H](c1ccccc1O)[C@H](C)CN(C)C(=O)OC(C)(C)C 1928467667 NFUKISPFFWBGOW-IUODEOHRSA-N 308.422 3.156 10 10 DGCE Nc1cccc(C(=O)O)c1N[C@@H]1CC[C@@H]1OCc1ccccc1 1939578444 MSTCVVANUNQUOZ-CVEARBPZSA-N 312.369 3.127 10 10 DGCE COc1cccc(CNC[C@H](C)COCc2ccccc2)c1O 237210793 YGZLFKVRAGEAQL-HNNXBMFYSA-N 315.413 3.343 10 10 DGCE CO[C@](C)(CCNC(=O)OC(C)(C)C)Cc1ccc(N)cc1 1952662446 FUAJBYCVJHZEBL-QGZVFWFLSA-N 308.422 3.131 10 10 DGCE CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1CNc1ccc(N)cc1 1977681035 DZTSHXXSKYPASX-HNNXBMFYSA-N 317.433 3.470 10 10 DGCE C[C@H](NC(=O)OC(C)(C)C)[C@@H](N)c1ccc(N2CCCC2)cc1 1977946830 YBOBEFFAJVHRFB-XJKSGUPXSA-N 319.449 3.200 10 10 DGCE C[C@H](N)c1ccc(N2CCOC[C@H]2C(F)(F)F)c(Cl)c1 2150373439 MPNXLVFYJYPKJF-UFBFGSQYSA-N 308.731 3.127 10 10 DGCE C[C@H](CN(C)c1ccc(CN)cc1Br)C(F)F 2012197401 YQGBLLCMVRMCGP-MRVPVSSYSA-N 307.182 3.245 10 10 DGCE COc1ccc(C)cc1C=C1SC(N2CCCCC2)=NC1=O 2041488692 DGLIPNUHWZIAEZ-UHFFFAOYSA-N 316.426 3.460 10 10 DGCE Oc1ccc(Br)cc1CNOCCC(F)(F)F 314756115 NHPHEPFWMWOFTJ-UHFFFAOYSA-N 314.101 3.128 10 10 DGCE COC(=O)c1cc(C(C)C)nn1Cc1cccc(Cl)c1O 2069959400 ZELVQYBWDNXVFC-UHFFFAOYSA-N 308.765 3.200 10 10 DGCE Cc1ccc(O)c(Cn2nc(Cl)c(N)c2C(F)(F)F)c1 2079212307 PKNNDRBBGVQBNT-UHFFFAOYSA-N 305.687 3.200 10 10 DGCE Cc1cc(O)c([C@@H](C)n2nc(C(F)F)c(C=O)c2N)cc1C 2080048156 OJWJDDFCDKTWJX-SECBINFHSA-N 309.316 3.147 10 10 DGCE Cc1cc(N(C)[C@H]2CS[C@@H](C(F)(F)F)C2)ccc1CO 2189472693 FGWHJTRZVCOMOD-CHWSQXEVSA-N 305.365 3.360 10 10 DGCE C[C@H](c1ccccc1O)N(C)C(=O)C1(Br)CCC1 2049231052 YLYVWELACOMYKV-SNVBAGLBSA-N 312.207 3.229 10 10 DGCE C[C@H](c1ccc(Cl)cc1O)N1CCOC[C@H]1C(F)(F)F 2203341245 QSPPXZSANYGBCI-PELKAZGASA-N 309.715 3.370 10 10 DGCE Cc1cc([C@@H](C)N)ccc1N1C[C@H]2C[C@H]1CN2Cc1ccccc1 2217375542 GGLAJELLCYMJIJ-AHRSYUTCSA-N 321.468 3.478 10 10 DGCE COc1ccc(OC)c(CNCc2cnc(SC)s2)c1 2208433157 YYAXOJCUSVHIAZ-UHFFFAOYSA-N 310.444 3.172 10 10 DGCE COc1ccc(Br)c(CNC[C@H]2[C@@H](C)[C@H]2C)c1O 2220462391 KWIRYLXDNDIOGR-ILWJIGKKSA-N 314.223 3.155 10 10 DGCE COc1cc(OC)cc(N(C)C(=O)C=Cc2cnc(C)s2)c1 2311122563 CTFGKDWKLJMSIA-UHFFFAOYSA-N 318.398 3.145 10 10 DGCE CN[C@@H](C)c1ccc(N2C[C@H]3C=C[C@@H]2C3)c(Br)c1 2308764309 LWRINDFEPDRCDF-GMXVVIOVSA-N 307.235 3.494 10 10 DGCE COC[C@H](NCc1ccc(C)c(Br)c1O)C(C)C 2327799163 RAKXRKPMHOVROQ-LBPRGKRZSA-N 316.239 3.224 10 10 DGCE Cc1ccc(CNc2c(C)cnn2C)c(O)c1Br 2327793719 WQIZUUYGJWHXKK-UHFFFAOYSA-N 310.195 3.117 10 10 DGCE COc1cc(NCc2ccc(O)c(O)c2)c(OC)cc1Cl 20563039 DYBQTDXIFKBTAN-UHFFFAOYSA-N 309.749 3.381 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@H]1c2ccccc2C[C@H]1O 85334231 HLHDGOCFMWHZFP-CABCVRRESA-N 324.207 3.447 10 10 DGCE CCCN[C@]1(C(=O)OCC)CC[C@@H](Sc2nccs2)C1 93851751 JHKRTKSAQHJXCB-BXUZGUMPSA-N 314.476 3.089 10 10 DGCE N[C@H](CC(F)(F)F)c1c(Br)ccc(F)c1O 95716057 VOLYYQJCTWHBDD-ZCFIWIBFSA-N 302.065 3.246 10 10 DGCE CC(C)C[C@@H](C)NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 121974808 QSSCQXBYPULDHD-YXMGTMDOSA-N 316.445 3.087 10 10 DGCE Cc1cncc(/C=C/C(=O)NCCCSc2nccs2)c1 151662880 BZHKTIJWTIYBPY-ONEGZZNKSA-N 319.455 3.158 10 10 DGCE CCN(CC)c1ccc(CNC(=O)N2C[C@H]3CC[C@H]2C3)cc1F 171834690 BOAKLCKUDMUDHP-GJZGRUSLSA-N 319.424 3.366 10 10 DGCE CN(Cc1ccccc1O)C(=O)Nc1c[nH]nc1-c1ccccc1 179503996 LTIHJTYSTAGNLD-UHFFFAOYSA-N 322.368 3.446 10 10 DGCE CC(=O)N(C(=S)NCc1ccc(C)cc1)c1ccc(N)cc1 244027824 SSSYDHMTXLIKDY-UHFFFAOYSA-N 313.426 3.005 10 10 DGCE COC[C@@H](C)N(C)[C@H](C)c1cc(Br)ccc1O 250966860 CJLDNXTZJLLMSK-NXEZZACHSA-N 302.212 3.182 10 10 DGCE C[C@]12C[C@H]1CCC[C@H]2NCc1ccc(N2CCOCC2)cc1 282371631 WNMYFBWXFAWFOZ-QRQLOZEOSA-N 300.446 3.192 10 10 DGCE Oc1ccccc1CN[C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 310158078 QPXSRDCGLBYWIO-XUVXKRRUSA-N 322.452 3.392 10 10 DGCE CCNCc1cc(F)c(N2CCC(SC)CC2)c(F)c1 312314347 YHOCQHSTJQTCPK-UHFFFAOYSA-N 300.418 3.406 10 10 DGCE CN1CC[C@H]2CN(Cc3cc(Cl)cc(Cl)c3O)C[C@H]2C1 383345522 XZZBFSGBNQBPOD-CMPLNLGQSA-N 315.244 3.083 10 10 DGCE CNCc1ccc(N2CC[C@@H](OCc3ccccc3)C2)c(F)c1 384103169 WRRDYTYGNIAJBA-QGZVFWFLSA-N 314.404 3.341 10 10 DGCE CC[C@H](NCc1n[nH]cc1C)c1cc(Br)ccc1O 716491628 PXUBPEYXZNCZOK-LBPRGKRZSA-N 324.222 3.427 10 10 DGCE Oc1cccc(Br)c1CNCCCOC1CCC1 717298968 HQDPEEYNQGOHDC-UHFFFAOYSA-N 314.223 3.204 10 10 DGCE COC1(C(F)(F)F)CN(c2ccc([C@@H](C)N)c(Cl)c2)C1 724168399 DHKMDLRXPNGTCF-MRVPVSSYSA-N 308.731 3.127 10 10 DGCE CCOc1ccc([C@@H](C)NC(=O)NCc2ccccc2O)cc1 748463454 RGNXKTIGGGSWEZ-CYBMUJFWSA-N 314.385 3.351 10 10 DGCE CC[C@@H](NCCCN1CCCC1=O)c1cc(Cl)ccc1O 775485682 ZCNCABDWWVCYDN-CQSZACIVSA-N 310.825 3.099 10 10 DGCE Cc1nc2c(s1)[C@@H](NC(=O)NCc1ccccc1O)CCC2 780829645 ZFWNYMIAQZXRSI-ZDUSSCGKSA-N 317.414 3.034 10 10 DGCE CC[C@](C)(CCO)NCc1cc(C)cc(Br)c1O 781635449 NMHHXOBFCKTVAD-CQSZACIVSA-N 316.239 3.104 10 10 DGCE COC(=O)CC1(NCc2c(O)ccc(Cl)c2F)CCCC1 793231537 QFIRGKVXSWCEBH-UHFFFAOYSA-N 315.772 3.150 10 10 DGCE CCOc1cccc(NCCc2ccc(O)c(O)c2)c1[N+](=O)[O-] 811810784 BYNZBGXCVPTXBA-UHFFFAOYSA-N 318.329 3.059 10 10 DGCE COc1ccc2ccc(C(=O)NCc3ccc(O)c(O)c3)cc2c1 815835878 IOHFSSCRHUKAKM-UHFFFAOYSA-N 323.348 3.190 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)Nc1cc(F)ccn1 824828715 DNMPCYIXSOVJHH-UHFFFAOYSA-N 303.337 3.370 10 10 DGCE C[C@@H](CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)CC(F)F 826530175 CMZVTVJYMHXJCM-VXGBXAGGSA-N 313.392 3.404 10 10 DGCE COc1ccc(NC/C=C\c2ccc(N(C)C)cc2)cc1CO 835029971 AAHJWBRPQXSWRP-PLNGDYQASA-N 312.413 3.379 10 10 DGCE CN(C)c1ccc(/C=C/CNc2ccn(CC(F)F)n2)cc1 835042891 LEGNSWQXISKCAR-ONEGZZNKSA-N 306.360 3.340 10 10 DGCE COc1ccc(O)c(CNC(=O)NC2CC(C(C)(C)C)C2)c1 838475150 XTAPBPNUPYKLRA-UHFFFAOYSA-N 306.406 3.025 10 10 DGCE CCN(CC)c1ccc(CNC(=O)CC(C)(C)COC)cc1 839547455 IIKYHEKKLKKZJF-UHFFFAOYSA-N 306.450 3.212 10 10 DGCE CN1CCN(c2ccc(CNCC3CCC(F)CC3)cc2)CC1 842780931 ZIGBEMFBZYGLTE-UHFFFAOYSA-N 319.468 3.056 10 10 DGCE Oc1ccc(F)cc1CN[C@@H](C[C@@H]1CCCO1)C(F)(F)F 848928188 WWZZJEVBOBYFAM-AAEUAGOBSA-N 307.287 3.121 10 10 DGCE COc1ccnc(CN[C@H]2C[C@H](C)c3c(F)ccc(O)c32)c1F 850537009 LSPLDQTXQPUVNK-ONGXEEELSA-N 320.339 3.412 10 10 DGCE COc1cc(CN2C[C@]34CCCC[C@@]3(COC4)C2)c(O)cc1C 853622178 CUJNYKZMRIMEDV-OALUTQOASA-N 317.429 3.102 10 10 DGCE COC[C@H](COc1ccc(N2CCCCC2)c(Cl)c1)OC 853725377 PNYXOADWSBARLG-CQSZACIVSA-N 313.825 3.371 10 10 DGCE CN(C)c1cc(F)c(CN2CC[C@@]3(CCCOC3)C2)cc1F 862359288 HZZGSBFIGKCZAF-KRWDZBQOSA-N 310.388 3.033 10 10 DGCE COc1ccc(N2CC[C@H](NC[C@@]3(C)CCCS3)C2)cc1 862407733 KZCRAWLAFSQDKW-WMLDXEAASA-N 306.475 3.149 10 10 DGCE Cc1ccc(C)c(S(=O)(=O)N[C@@H](C)c2ccccc2O)c1 867834465 OYQFGZQPHIRIAU-ZDUSSCGKSA-N 305.399 3.049 10 10 DGCE O=C(c1cc(O)cs1)N1CC[C@@H]2CC[C@@]21c1cccnc1 888829815 IMANDPBSQABHDC-ZBEGNZNMSA-N 300.383 3.000 10 10 DGCE CN(C)c1cc(F)c(CNC[C@@H]2C[C@H]2C(F)(F)F)cc1F 922728074 FPFHSQAJTAZTQI-WCBMZHEXSA-N 308.294 3.319 10 10 DGCE C[C@H](NC(=O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@@H]12)c1ccc(N(C)C)cc1 1226646948 LVQHWCCKTCFRMZ-HTCGSXCYSA-N 313.445 3.157 10 10 DGCE c1ccc2c(c1)CC[C@H](NCc1ccc3c(c1)CCCO3)CO2 1308382828 BPDQCARUKURVKB-SFHVURJKSA-N 309.409 3.495 10 10 DGCE CCN(CC)c1ccc(CN[C@H]2CCC[C@H]2C(=O)OC)cc1F 1320835709 AWVIFZWBQTYKFZ-ZBFHGGJFSA-N 322.424 3.103 10 10 DGCE CN(CC(=O)NCc1c(O)ccc2ccccc12)CC(C)(C)C 1456310134 OTSQPWHSJDZTNH-UHFFFAOYSA-N 314.429 3.140 10 10 DGCE COc1ccc(CNCC[C@@H](C)NC(=O)C2CCCC2)cc1C 1497128942 GJRUDUQWUQUBFD-OAHLLOKOSA-N 318.461 3.178 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)CCOCC1CC1 1523552901 DKZJDSFDQAVAQA-UHFFFAOYSA-N 316.445 3.062 10 10 DGCE CC1(C)CC(CNC(=O)c2cc3cc(O)c(O)cc3s2)C1 1634285694 SHUDZNLWVHFIBY-UHFFFAOYSA-N 305.399 3.479 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1cccn2nccc12 1635663709 XYNOKXJDLYBBKZ-UHFFFAOYSA-N 309.369 3.092 10 10 DGCE COc1cccc(CC(=O)N[C@@H](C)c2ccccc2O)c1Cl 1648894606 OMTSFLOKEHPZPQ-NSHDSACASA-N 319.788 3.474 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2C[C@@H]1C[C@H]2[C@@H](C1)C2(F)F 1654011171 JLKIWLKQMWOJGI-UBSAEIQESA-N 308.372 3.243 10 10 DGCE CN(Cc1ccccc1O)c1cc(Br)ccc1CO 1877518466 UZEANHSGYZQMCP-UHFFFAOYSA-N 322.202 3.283 10 10 DGCE OCc1ccc(N2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1 1906885744 QMMFGPGEGHMAFE-WOJBJXKFSA-N 322.452 3.137 10 10 DGCE COc1ccc(Br)c(CN[C@H]2[C@H]3CCC[C@H]32)c1O 1972417177 WISMMOSZNVMKDV-YFKFIEJBSA-N 312.207 3.051 10 10 DGCE C[C@@H]1C(CNCc2cc(Br)cc(F)c2O)[C@H]1C 1998466107 GTHDFMYZEPYAFU-YUMQZZPRSA-N 302.187 3.285 10 10 DGCE CN(C)c1ccc([C@@H](N)c2cc(Br)sn2)cc1 2007635935 NHTOEZKRYKARIF-GFCCVEGCSA-N 312.236 3.020 10 10 DGCE C[C@@H]1C[C@H]1N(C)c1ccc(C=CC(=O)O)c(Br)c1 2052757366 QBDSAAWQYHHTBD-NOZJJQNGSA-N 310.191 3.392 10 10 DGCE CC[C@@H](N[C@H](CF)COC)c1cc(Br)ccc1O 2053073843 SICVDGDSCHNUQV-ZYHUDNBSSA-N 320.202 3.180 10 10 DGCE COC(=O)c1cc(C(C)C)nn1[C@H](C)c1cc(OC)ccc1O 2069953792 AHNXGFOXUKMJIN-LLVKDONJSA-N 318.373 3.117 10 10 DGCE CN(Cc1ccc(N)cc1)c1c(N)cccc1Br 2071633013 JJKVADLISPUODW-UHFFFAOYSA-N 306.207 3.250 10 10 DGCE CCc1c(C2CCC2)nn(Cc2cccc(OC)c2O)c1N 2079799124 SKDAKOACCHSNGN-UHFFFAOYSA-N 301.390 3.058 10 10 DGCE Cc1cnc(Br)c(CN2CC[C@@H](CN=[N+]=[N-])C2)c1 2085939144 SBDRKHLAGNIZLC-JTQLQIEISA-N 310.199 3.285 10 10 DGCE CN(C[C@H]1C2C[C@@H]3C1[C@@H]3C2)c1ccc(CN)cc1Br 2134485149 JVRGEOSTQCFHJF-RFVMBOSQSA-N 321.262 3.246 10 10 DGCE CSc1cnc([C@@H](N)c2ccc3c(c2)CCCN3C)s1 2163122456 AOIUNTUFYZIBHS-AWEZNQCLSA-N 305.472 3.296 10 10 DGCE C[C@@H]1CN(c2ccc(OC(F)(F)F)cc2Cl)C[C@H]1CN 2169441817 PSIUKMWXQYMGPZ-RKDXNWHRSA-N 308.731 3.270 10 10 DGCE CC[C@@H]1COC(C)(C)CN1c1cc(Cl)c(CN)cc1F 2177380631 GIWIPPJLWDVIAK-LLVKDONJSA-N 300.805 3.332 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@]1(C)CCNCc1ccccc1O 2210446938 FISHYZMIDAIDAC-SFHVURJKSA-N 320.433 3.271 10 10 DGCE Cc1c(Br)nnc(OCc2ccc(N)cc2)c1C 2219352788 RAFGSAZZSNJERL-UHFFFAOYSA-N 308.179 3.017 10 10 DGCE COc1ccc(Br)c(CN[C@@H]2C[C@@H](C)[C@H]2C)c1O 2220462826 RGUYZDIUSWEGRM-KBVBSXBZSA-N 314.223 3.297 10 10 DGCE CC[C@H]1CN[C@H](CC(C)C)CN1Cc1cnc(SC)s1 2284678518 WUXKXCBPPAYVPV-OLZOCXBDSA-N 313.536 3.464 10 10 DGCE COc1cccc(CNC(=O)C=Cc2c(F)cccc2F)c1O 2301549608 PDSKGKLTNRREMI-UHFFFAOYSA-N 319.307 3.009 10 10 DGCE Cc1nc2cc(NC(=O)C=Cc3ccc(O)c(O)c3)ccc2o1 2307981920 DMRNEOZBQHSAHJ-UHFFFAOYSA-N 310.309 3.199 10 10 DGCE C[C@@H](NC(=O)C=Cc1ccc(O)c(O)c1)c1ccc(F)c(F)c1 2307982299 YOZXQVPICFYMKZ-SNVBAGLBSA-N 319.307 3.267 10 10 DGCE CC[C@H](NC(=O)C=Cc1ccc(O)c(O)c1)c1cccs1 2307986593 KUPFJEJYHRFOFA-LBPRGKRZSA-N 303.383 3.440 10 10 DGCE Cc1ccc(Cn2nc(C)c(F)c2C)c(O)c1Br 2327605778 JBBCENPLNNZGQF-UHFFFAOYSA-N 313.170 3.464 10 10 DGCE COc1ccc(O)c(CNc2ccc(Br)c(O)c2)c1 2344220160 WMADKUZUVYHRDH-UHFFFAOYSA-N 324.174 3.481 10 10 DGCE CCNCc1ccc(OC)c(CN(CC)CC(F)(F)F)c1 50125342 CQTFWLKDXKEDEP-UHFFFAOYSA-N 304.356 3.189 10 10 DGCE CCN(CC)CCCCN[C@@H](C)c1ccc(F)c(F)c1O 187671928 PAWXFTKNGUALIS-LBPRGKRZSA-N 300.393 3.443 10 10 DGCE COc1cccnc1N(C)C(=O)/C=C/c1cccc2cccnc12 121270003 IIOLCUJLOBHSGN-ZHACJKMWSA-N 319.364 3.315 10 10 DGCE COC[C@H](Cc1ccccc1)N(C)Cc1ccc(OC)cc1O 187991841 VTMZMEUCLMXOAR-KRWDZBQOSA-N 315.413 3.090 10 10 DGCE CNCc1cc(F)c(N2CCC(C(F)(F)F)CC2)c(F)c1 88432805 AKLBXVDAIUSEQB-UHFFFAOYSA-N 308.294 3.463 10 10 DGCE COc1cc(Cl)cc(CNc2ccccc2C(=O)O)c1O 229050124 BXAMEIYGIWCEIS-UHFFFAOYSA-N 307.733 3.365 10 10 DGCE O=C(O)C=Cc1ccc(N2CCSC2)c(C(F)(F)F)c1 2369269933 QGWQCCJZDPOABY-UHFFFAOYSA-N 303.305 3.314 10 10 DGCE CC(=O)N(C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(N)cc1 244174848 VFQRBHXILOKGBE-YSLLHCQFSA-N 315.417 3.156 10 10 DGCE Oc1ccc(-c2ccccc2)cc1CNC[C@H](O)C(F)(F)F 263642441 AFEBDGTXKQTIKE-HNNXBMFYSA-N 311.303 3.072 10 10 DGCE CCOc1ccc(O)c(CN[C@@H]2CCCc3nc(O)ccc32)c1 263647647 CKUDRNGLORWQBJ-OAHLLOKOSA-N 314.385 3.059 10 10 DGCE CN(C)c1ccc(CN2[C@H]3CC[C@H]2CC(c2ccnn2C)C3)cc1 374778711 KSRBKZVELABWQO-OALUTQOASA-N 324.472 3.397 10 10 DGCE C[C@H](N[C@@H]1CNCC[C@H]1C)c1ccc(N2CCCCC2)c(F)c1 817967209 FOCKMFTUGGSIET-RVKKMQEKSA-N 319.468 3.465 10 10 DGCE Cc1nc([C@H]2CCCCN2Cc2ccc(N(C)C)c(C)c2)no1 815018764 ANBVPWAHFCELDQ-QGZVFWFLSA-N 314.433 3.480 10 10 DGCE Cc1ccc(CC2CN(Cc3cc4c(cc3O)OCO4)C2)cc1 827321498 PQMGWQUZHIVXEL-UHFFFAOYSA-N 311.381 3.104 10 10 DGCE COc1ccc(O)c(CN[C@@H](C)COc2c(F)cccc2F)c1 827105758 HLDAFKGZRFDMRT-NSHDSACASA-N 323.339 3.236 10 10 DGCE COc1cc(O)c(CN2CCC[C@H]2COC(C)(C)C)cc1OC 905730830 PPXWTWCUSINFFP-AWEZNQCLSA-N 323.433 3.189 10 10 DGCE COc1cccc2c1N(C(=O)/C=C\c1scnc1C)CCC2 588517070 FNEFVDOLAJLAIC-HJWRWDBZSA-N 314.410 3.453 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@H](C2CC2)C(C)(C)CO)cc1 835051856 AKVXMZSVGPMRDI-OOFWQKGWSA-N 302.462 3.153 10 10 DGCE O=C1C[C@H](c2cccc(N[C@H]3CCc4cccc(O)c43)c2)CN1 834755385 FVTXGVFFDDIFDA-HOCLYGCPSA-N 308.381 3.095 10 10 DGCE CC(C)N1CC[C@H](N(C)C/C=C/c2ccc(N(C)C)cc2)C1 835054611 LOHBLQFXOABURE-GHOSXJJBSA-N 301.478 3.180 10 10 DGCE COCC1(CN[C@H](C)c2ccc(Br)cc2O)CC1 848560268 BYPQAENHEFIAJW-SNVBAGLBSA-N 314.223 3.232 10 10 DGCE CN(C)[C@H]1C[C@@H](CNCc2cc(-c3ccccc3)ccc2O)C1 848562907 MCNBHOIOHRZLIW-GLRZTSSQSA-N 310.441 3.489 10 10 DGCE Oc1cc2c(cc1CN1CCC[C@@H]1[C@@H]1CCCOC1)CCC2 842612833 OVULVKMNZXYWKX-SJLPKXTDSA-N 301.430 3.272 10 10 DGCE C[C@H](NC[C@]1(CO)CCc2ccccc21)c1ccc(N(C)C)cc1 846177719 FILMTLTZOUALIC-KKSFZXQISA-N 324.468 3.280 10 10 DGCE C[C@@H](NC(=O)N1C[C@H]2CC[C@@H](C2)C1)c1ccc(N(C)C)cc1 852261003 INEQPTCFHNYGAZ-ILXRZTDVSA-N 301.434 3.255 10 10 DGCE COC(=O)C1=CC[C@H](N[C@@H](C)c2cc(Cl)cc(C)c2O)C1 858473888 RLFXELRJDNFZIM-GWCFXTLKSA-N 309.793 3.266 10 10 DGCE COC(=O)/C=C/c1ccc(N2CCC[C@H]2C(C)C)c([N+](=O)[O-])c1 920487298 SRYSAIDONYYDBY-KGXGESDWSA-N 318.373 3.406 10 10 DGCE COc1ccc(N2CC[C@H](Nc3nnc(C4CC4)s3)C2)cc1 853758148 APQDSDLDLVUWMX-LBPRGKRZSA-N 316.430 3.115 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)c3ccc(C)s3)C2)cc1 855234968 SDYHYNHQOJETDN-ZDUSSCGKSA-N 316.426 3.074 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]32)c1 934939949 FCCRFDCAYBEJMG-TWJWRFFLSA-N 303.402 3.404 10 10 DGCE Cc1cc(Cl)cc(CNC[C@H]2CCCN2CC(F)F)c1O 862469021 WONJLKMPBBAAPT-CYBMUJFWSA-N 318.795 3.173 10 10 DGCE CCOc1cc(N2Cc3cccc(O)c3C2)ccc1[N+](=O)[O-] 866117832 RYQIPESPDLQAHU-UHFFFAOYSA-N 300.314 3.219 10 10 DGCE CN(C)c1ccc(CNC(=O)c2coc(C3CCCC3)n2)cc1 769678148 HSIQKMVXMIIDNH-UHFFFAOYSA-N 313.401 3.328 10 10 DGCE CCc1nc(CCNC(=O)N[C@@H](C)c2ccccc2O)cs1 868196430 JOZRQGDMFDKVKH-NSHDSACASA-N 319.430 3.014 10 10 DGCE C[C@H](NC(=O)COc1ccc(N(C)C)cc1)c1ccc(F)cc1 786863578 INXRRFXGKLPAEN-ZDUSSCGKSA-N 316.376 3.148 10 10 DGCE CN(c1ccccc1)[C@@H]1CN(C)[C@@H](CN)c2cc(Cl)ccc21 82805151 LAXNXJXIQWSRMP-ZWKOTPCHSA-N 315.848 3.463 10 10 DGCE Cc1ccc(CC(=O)Nc2c(Cl)ccc3nonc23)s1 1322263072 BYPQETDZGQDBEU-UHFFFAOYSA-N 307.762 3.427 10 10 DGCE Cc1ccc(O)c(CNCC(C)(C)N(C)C(=O)OC(C)(C)C)c1 698232336 LZJXWCSDISAJFS-UHFFFAOYSA-N 322.449 3.436 10 10 DGCE CCCN(C(=O)OC(C)(C)C)[C@@H](CN)c1ccc(N(C)C)cc1 698300894 OYEXFIFKQGZNLB-INIZCTEOSA-N 321.465 3.400 10 10 DGCE C/C(=C/c1ccncc1)C(=O)NCc1ccc(N(C)C)c(F)c1 1356251885 XSAXNJGHVTZYEL-RAXLEYEMSA-N 313.376 3.006 10 10 DGCE COc1ccc(N(C)CC(=O)N(C)[C@H]2CCCC[C@@H]2C)cc1 1559970048 ZVWBXAVMWKAHEX-YOEHRIQHSA-N 304.434 3.169 10 10 DGCE C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)[C@H]1CC2CCC1CC2 1557324076 JMDFIUZWDFCBAY-NFTQBCIJSA-N 315.413 3.442 10 10 DGCE O=C(NCc1c(O)cccc1F)N[C@@H]1C[C@@H]1c1cccc(F)c1 1634725105 NWQRQMZRXCLPKL-IUODEOHRSA-N 318.323 3.026 10 10 DGCE COc1ccc(CNCC[C@H](C)NC(=O)C2=CCCC2)cc1C 1732686000 LYPODTZJHRBJPC-HNNXBMFYSA-N 316.445 3.098 10 10 DGCE C[C@@H](NC(=O)c1cccnc1C(F)(F)F)c1ccccc1O 1643738860 UMFWZDHVEJDETI-SECBINFHSA-N 310.275 3.297 10 10 DGCE Cc1cc(CN2CCC[C@@H]3[C@H](O)C(C)(C)[C@@H]32)ccc1N(C)C 1648006763 QQPUDLRVMRLKJZ-JQHSSLGASA-N 302.462 3.042 10 10 DGCE CC(=O)N1Cc2ccc(NCc3cc(F)cc(F)c3O)cc2C1 1650642584 KFFCVVHXZTUHSR-UHFFFAOYSA-N 318.323 3.145 10 10 DGCE Cc1cc(CCNc2ncc(C=O)cn2)c(C)n1-c1ccccc1 1651301707 NJKHNZNGXRVBSW-UHFFFAOYSA-N 320.396 3.351 10 10 DGCE CCN(C)c1ccc(CN2Cc3ccccc3NC(=O)[C@H]2C)cc1 1655029664 HBZXCCORLFMZAN-OAHLLOKOSA-N 323.440 3.486 10 10 DGCE CC/C=C(/C)C(=O)NC/C=C/CNCc1ccc(OC)c(C)c1 1668731771 LPKDKTAEECZWBW-RRLYPUMESA-N 316.445 3.122 10 10 DGCE COc1ccc(CNC2(CNC(=O)[C@@H](C)C(C)C)CC2)cc1C 1670868632 SQYFHIJWXYPUJF-HNNXBMFYSA-N 318.461 3.034 10 10 DGCE Nc1ccc(CN2C[C@H](c3ccc4c(c3)CCC4)OC2=O)cc1 585888768 FKYOPKNESUCWGE-GOSISDBHSA-N 308.381 3.451 10 10 DGCE Oc1cccc(CNCCc2ccccc2Br)c1O 2131233273 YMZAAIGJCAVZIG-UHFFFAOYSA-N 322.202 3.193 10 10 DGCE C[C@H](N[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)c1ccccc1O 1904622589 GOGBMZCJJASVML-UGSOOPFHSA-N 320.433 3.442 10 10 DGCE COc1ccc(N(Cc2ccccc2)C2(CO)CCC2)c(N)c1 1915781350 ZOCXDJHOTJKYKI-UHFFFAOYSA-N 312.413 3.199 10 10 DGCE CN(C(=O)OC(C)(C)C)C(C)(C)C[C@@H](N)c1ccccc1O 1925335164 YYESNTHYDKLEHN-CYBMUJFWSA-N 308.422 3.428 10 10 DGCE COc1ccc(O)c(CN[C@H]2CC[C@@H]2OCc2ccccc2)c1 1939572916 BATVVUHUANMDFY-HKUYNNGSSA-N 313.397 3.238 10 10 DGCE CCN[C@@H](c1ccccc1O)c1ncsc1Br 1942390644 AAQZBNUMTOGKEA-JTQLQIEISA-N 313.220 3.310 10 10 DGCE CN(C)c1ccc([C@@H]2C(=O)CCN2C(=O)OC(C)(C)C)cc1F 1951891249 MPJSMNGGTYWOJW-OAHLLOKOSA-N 322.380 3.143 10 10 DGCE C[C@H](O)c1ccc(N2CC[C@H]2C(F)F)cc1Br 2004491497 UXENBCKSCUZOSR-CPCISQLKSA-N 306.150 3.346 10 10 DGCE CC1(C)CN(c2ccc(CN)c(C(F)(F)F)c2)CCS1 158575104 RIQBCUFFMWSYQU-UHFFFAOYSA-N 304.381 3.496 10 10 DGCE N[C@@H]1CCc2cc(N3CC[C@H](OCc4ccccc4)C3)ccc21 1986603887 DZUNQNYCODSLRM-AZUAARDMSA-N 308.425 3.428 10 10 DGCE CN(CC1(Br)CC1)c1ccc(CO)c(Cl)c1 1991511041 VQPJVDUSQOAHRA-UHFFFAOYSA-N 304.615 3.196 10 10 DGCE Cc1ccc(CNCCN(C(=O)OC(C)(C)C)C2CC2)c(O)c1 1994457360 ZQAOQDRAFXAJIM-UHFFFAOYSA-N 320.433 3.190 10 10 DGCE C[C@H]1C[C@H](F)CN1Cc1cc(Br)cc(F)c1O 1997690131 YOLSUBWJCZAIFX-XVKPBYJWSA-N 306.150 3.226 10 10 DGCE C[C@H]1C[C@@H](CCNCc2cc(Br)ccc2O)CO1 2041472441 SNRQUEMBMILCOI-WDEREUQCSA-N 314.223 3.059 10 10 DGCE COc1cc(Cl)cc(CN[C@]2(C)C[C@@H]2C(F)(F)F)c1O 2158621471 PXKURIHFWLWHNT-CMPLNLGQSA-N 309.715 3.485 10 10 DGCE Oc1ccc(CNCCc2cccc(Br)c2)cc1O 313717429 PWOMDWVQARKMOC-UHFFFAOYSA-N 322.202 3.193 10 10 DGCE C[C@@H]1C[C@H](N(C)Cc2cc(Br)ccc2O)CCO1 721481059 YEUQOGSQMPMLAZ-ZWNOBZJWSA-N 314.223 3.154 10 10 DGCE Cc1cccc([C@@H](C)n2cc(C(=O)OC(C)(C)C)cn2)c1O 2069975339 APUOJHGDTWMTJN-GFCCVEGCSA-N 302.374 3.462 10 10 DGCE COc1cccc(Cn2nc(C3CCCC3)cc2C=O)c1O 2070051255 DKMUARRJBHVCNF-UHFFFAOYSA-N 300.358 3.116 10 10 DGCE CCNC(=O)c1cc(C(C)C)nn1Cc1ccc(Cl)cc1O 2070170248 IRGBHGSIFPLFLY-UHFFFAOYSA-N 321.808 3.164 10 10 DGCE C[C@@]1(O)C[C@H]2C[C@H]1C[C@@H]2NCc1cc(Cl)cc(Cl)c1O 2178198203 RADPVPUGBZBTTD-XGUWZRRLSA-N 316.228 3.338 10 10 DGCE OCc1c(C2CC2)nn(Cc2cc(F)ccc2O)c1C(F)F 2079127399 NRIPXIOWRQFJHU-UHFFFAOYSA-N 312.291 3.083 10 10 DGCE C[C@@H]1CN(c2ccc(OC(F)(F)F)c(Cl)c2)C[C@@H]1CN 2169434174 LBNUBFGTRTVNQP-BDAKNGLRSA-N 308.731 3.270 10 10 DGCE CO[C@H]1CCC[C@H](C(=O)NCc2c(O)ccc3ccccc23)C1 1157041872 QKWMHFPMLASNRO-GJZGRUSLSA-N 313.397 3.367 10 10 DGCE CNCc1cc(F)c(N(C)[C@H]2CCCS[C@@H]2C)c(F)c1 2197305014 IIAAXRPLTFVPQF-YGRLFVJLSA-N 300.418 3.405 10 10 DGCE Oc1cccc(Br)c1CN[C@H]1C[C@H]2[C@@H](C1)C2(F)F 2045610923 FJDRBYKGNQZBJA-SLGCYQGISA-N 318.161 3.288 10 10 DGCE C[C@@H](N)c1ccc(N2CC3(CC(F)C3)C2)cc1Br 2051884991 JEBCXEAUDHCYSP-SECBINFHSA-N 313.214 3.407 10 10 DGCE CNCc1ccc(N2C[C@@H](F)C[C@H](F)C2)c(Br)c1 2062399187 CAVQXNKFLZFNIC-QWRGUYRKSA-N 319.193 3.055 10 10 DGCE CO[C@H]1CC[C@H]1CCNCc1ccc(Br)cc1O 2066826306 KIONFJBGZNXTEU-HZMBPMFUSA-N 314.223 3.059 10 10 DGCE Cc1cc(O)c([C@H](C)N(C)[C@H](C)C[S@](C)=O)cc1Cl 2270973191 IOMWOPNKNRWSMF-FDMGOTLNSA-N 303.855 3.114 10 10 DGCE C[C@@](NCCCN=[N+]=[N-])(C(=O)O)c1cc(F)cc(Cl)c1 2237889496 GSUCDZYCVUQJGU-LBPRGKRZSA-N 300.721 3.069 10 10 DGCE CCOP(=O)(CCNCc1cnc(SC)s1)OCC 2269203476 RSWSKSZMHWWNBZ-UHFFFAOYSA-N 324.408 3.221 10 10 DGCE CSc1ncc(CNc2cc(N)c([N+](=O)[O-])cc2F)s1 2284538410 ORMFIVZNKARMAI-UHFFFAOYSA-N 314.367 3.107 10 10 DGCE O=C(O)C1CCN(N=Nc2ccc(N3CCCC3)cc2)CC1 2330221307 SMKJXFFPAASPGE-UHFFFAOYSA-N 302.378 3.082 10 10 DGCE CCC[C@H](Oc1ccc(N)cc1)C(=O)c1ccc2c(c1)OCO2 40354230 UWYPYGQPUALFQY-INIZCTEOSA-N 313.353 3.428 10 10 DGCE C[C@@H](C(=O)Nc1ccc(N)cc1)[S@](=O)c1ccccc1Cl 40961751 YODIXBIBVYHIGU-CHNSCGDPSA-N 322.817 3.057 10 10 DGCE Nc1ccc(OCCC[S@](=O)c2ccc(F)cc2F)cc1 40968902 JCINCVNXZQUFCX-OAQYLSRUSA-N 311.353 3.124 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@@H]1CCCC[C@@H]1O 77204228 VYPMTIGARYDXNA-ZANVPECISA-N 304.217 3.340 10 10 DGCE CCN(C)c1ccc([C@@H](C)N[C@@H]2CCCn3nc(C)nc32)cc1 90227351 LLPRDZWJTARCBV-CXAGYDPISA-N 313.449 3.228 10 10 DGCE C[C@](NCCCN=[N+]=[N-])(C(=O)O)c1ccc(F)c(Cl)c1 90258784 QSMXBFVJKLRWEI-GFCCVEGCSA-N 300.721 3.069 10 10 DGCE COc1ccc(N(CC(=O)N2CCCCC2)[C@@H](C)C2CC2)cc1 109773975 FHCHPCLCCWMOGZ-HNNXBMFYSA-N 316.445 3.313 10 10 DGCE CN(C)c1ccc(CNC(=O)NC[C@H]2C[C@@H]2c2ccccc2)cc1 111424010 BRKUAKNYEJLLKA-IEBWSBKVSA-N 323.440 3.356 10 10 DGCE CCc1nccn1[C@@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 122829788 UISHYSQPEFANLC-GOSISDBHSA-N 312.461 3.349 10 10 DGCE CCCN(Cc1ccc(N)cc1)C(=O)c1sccc1OC 161890178 AIMSQDKXHNYOMV-UHFFFAOYSA-N 304.415 3.391 10 10 DGCE CC(C)Cn1ccnc1CN[C@H](C)c1ccc(N(C)C)cc1 164779882 ROYWCDYABVWFTL-OAHLLOKOSA-N 300.450 3.456 10 10 DGCE CN(C)c1ccc(/C=C2/CCn3c2nc2ccccc2c3=O)cc1 169504921 HLZUPKVNZFSBAK-SQFISAMPSA-N 317.392 3.407 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCCN(C2CC2)CC1 179730832 QEJCZEYEZTVACV-UHFFFAOYSA-N 315.244 3.369 10 10 DGCE Cc1nc([C@H]2CCCN2Cc2cc([N+](=O)[O-])ccc2O)cs1 189844600 MEANXCYUTNJUCM-CQSZACIVSA-N 319.386 3.402 10 10 DGCE CO[C@H](C)[C@H](C)NCc1ccc(OCc2ccccc2)cc1O 191695377 IHMFFYXGLYTTHS-LSDHHAIUSA-N 315.413 3.484 10 10 DGCE COc1ccc(CCNCc2ccc(N(C)C)c(OC)c2)cc1 212688502 VUIULYSSZDMGKO-UHFFFAOYSA-N 314.429 3.102 10 10 DGCE COc1ccc(N=N[C@@H](C(C)=O)C(=O)Nc2ccccc2)cc1 256736725 LFOLAJSVQDPEFG-INIZCTEOSA-N 311.341 3.375 10 10 DGCE CCOc1ccc(O)c(CN[C@H](C)[C@H](O)c2cccc(F)c2)c1 267156846 DSUYCDUQTLLURH-XIKOKIGWSA-N 319.376 3.142 10 10 DGCE COc1cc(CN(C)Cc2cccc(OC)c2O)cc(OC)c1 271083360 XPWNLJHVHFLVQD-UHFFFAOYSA-N 317.385 3.050 10 10 DGCE COc1ccc(N2CCC(N[C@H]3CSC3(C)C)CC2)cc1 367247573 WSYRGDQAALSDDQ-INIZCTEOSA-N 306.475 3.148 10 10 DGCE C[C@@H]1[C@H](N(C)C)CCN1Cc1cc(Cl)cc(Cl)c1O 381830479 IYAQVRXKSUOGBY-NOZJJQNGSA-N 303.233 3.223 10 10 DGCE CN(C[C@@H]1C[C@H]1C1CC1)c1ccc(CN)c(Br)c1 698338157 OLVCVLNEZSCXMR-JSGCOSHPSA-N 309.251 3.390 10 10 DGCE Clc1cc(CNC2CC2)ccc1N1C[C@@H]2CSC[C@H]2C1 711607046 HWVMDINQJJFVTG-CHWSQXEVSA-N 308.878 3.391 10 10 DGCE CC(C)N1CCc2c(c3ccccc3n2CC(=O)OC2CC2)C1 774244528 PPWFFJDWDLHNIX-UHFFFAOYSA-N 312.413 3.113 10 10 DGCE C[C@@H](N)c1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2O)cc1 817962107 GBXWGOMCMZITBP-VXGBXAGGSA-N 315.373 3.171 10 10 DGCE C[C@@H](N[C@@H]1CNCCC1(F)F)c1ccc2ccccc2c1O 817980286 KMAQIPITWWNOHJ-IAQYHMDHSA-N 306.356 3.193 10 10 DGCE C[C@H](NC1C[C@@H]2C[C@H]2C1)c1ccc(N2CCOCC2)c(F)c1 818359372 JMYFKTRYPQCXLZ-QEJZJMRPSA-N 304.409 3.111 10 10 DGCE CCOc1ccc(CNC[C@@H]2CCO[C@H](C(C)C)C2)c(O)c1 824798371 DBCAGJYTHCWSRT-KDOFPFPSSA-N 307.434 3.332 10 10 DGCE COCC1(C2CCC2)CN(Cc2cc(Cl)cc(F)c2O)C1 827011502 KETJBODHISIJSU-UHFFFAOYSA-N 313.800 3.433 10 10 DGCE Cc1cc(N(C)C)ccc1CN[C@@H](C)[C@@](C)(O)c1ccccc1 846043060 JIJFZTRUGODAHK-OXJNMPFZSA-N 312.457 3.447 10 10 DGCE COc1cccc([C@H](C)N[C@H](c2ccccc2F)[C@@H](C)O)c1O 846183450 OKNBCNHSEDDZEW-JKDFXYPNSA-N 319.376 3.313 10 10 DGCE COc1ccnc(CN[C@H](C)c2ccc(Cl)cc2O)c1F 850537471 VQBPJBYKMDHHBW-SECBINFHSA-N 310.756 3.439 10 10 DGCE COc1cccc([C@H](C)N[C@H](c2ccccc2)[C@@H](C)O)c1O 850585479 YPJLPYVBZVWWOZ-AHIWAGSCSA-N 301.386 3.174 10 10 DGCE COc1ccc(N2CC[C@H](Nc3ccsc3[N+](=O)[O-])C2)cc1 853758855 LGKOPDPMGZTNCJ-NSHDSACASA-N 319.386 3.356 10 10 DGCE C/C=C/CNC(=O)NCc1ccc(N2CCC(C)CC2)cc1 858204543 HVASUURECIOERC-ONEGZZNKSA-N 301.434 3.298 10 10 DGCE CN1CCCC[C@H](CNC/C=C\c2ccc(N(C)C)cc2)C1 858245120 CHNMUBOTCVZDLO-XOWYPZSQSA-N 301.478 3.087 10 10 DGCE c1cc(N2CCCCC2)ccc1CN[C@@H]1[C@H]2C[C@@H]3CO[C@@H]1[C@H]3C2 865694637 SZHAKFMKSBXLSL-KRFUXDQASA-N 312.457 3.190 10 10 DGCE CCC[C@@H](O)CCCSc1ncc(C(=O)OCC)s1 866033065 KINRFXQLIRNVKV-SNVBAGLBSA-N 303.449 3.353 10 10 DGCE C[C@H](NC(=O)NCC1(c2ccccc2)CC1)c1ccccc1O 867988163 VBXDQQCQGSLLFX-AWEZNQCLSA-N 310.397 3.484 10 10 DGCE CCCCCC(=O)NC1CCN(Cc2c(C)cccc2O)CC1 876656458 AEYJEZKMDNNWOU-UHFFFAOYSA-N 318.461 3.362 10 10 DGCE Cc1cnc(F)cc1C(=O)NCc1ccc(N2CCCC2)cc1 895711303 MYADMWLYHKLBNV-UHFFFAOYSA-N 313.376 3.059 10 10 DGCE O=C(NCc1ccccc1O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 1137471310 GGLFYBWTSJMOIX-UHFFFAOYSA-N 324.695 3.023 10 10 DGCE COc1ccc(CNC(=O)[C@@H]2Cc3ccc(Cl)cc32)c(O)c1 1155575696 XDAKHMBXMRMPOE-OAHLLOKOSA-N 317.772 3.010 10 10 DGCE CN(C)c1ccc(C(=O)NCc2cccc(Cl)c2O)c(F)c1 1159033741 NGRFJMNRNJBWEO-UHFFFAOYSA-N 322.767 3.181 10 10 DGCE CC(C)(C(=O)NCc1c(O)cccc1F)c1ccc(F)cc1F 1558457912 ZQMWVSCZIIPAIH-UHFFFAOYSA-N 323.314 3.404 10 10 DGCE CCCN1CCC[C@@H](C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 1633315055 CXUDOHRQHCJUML-NVXWUHKLSA-N 317.477 3.052 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2CCc1c(F)cccc1F 1642566920 DYUFDTMJOWVOKQ-UHFFFAOYSA-N 318.367 3.472 10 10 DGCE O=C(NCc1cccc(Cl)c1O)c1nccc2occc12 1647830232 OLQFWFUHLAGGAG-UHFFFAOYSA-N 302.717 3.117 10 10 DGCE O=C(NCc1c(O)cccc1F)N[C@@H]1C[C@H]1c1ccc(F)cc1 1672237798 KLTNVBCHOWAJMW-SWLSCSKDSA-N 318.323 3.026 10 10 DGCE CN(Cc1ccccc1O)c1nnc(C2CC2)n1[C@@H]1C[C@H]1CF 1711095129 BSXGYTLCPYWKNW-UONOGXRCSA-N 316.380 3.028 10 10 DGCE CN(Cc1ccccc1O)c1nnc(C2CC2)n1Cc1ccoc1 1767112364 ZCUHJRUHSAFCSX-UHFFFAOYSA-N 324.384 3.139 10 10 DGCE CC[C@@]1(C)N(C(=O)OC(C)(C)C)CC[C@]1(N)c1ccccc1O 1900199624 XNGKRQFIAGNAMR-MSOLQXFVSA-N 320.433 3.356 10 10 DGCE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@]1(N)c1ccccc1O 1903272970 QIMBHCPWNSGERY-VEVIJQCQSA-N 320.433 3.212 10 10 DGCE Cc1oc(Br)cc1C(=O)N1CC[C@@H](CN=[N+]=[N-])C1 1912204739 LCYAZUAAUXPQJD-QMMMGPOBSA-N 313.155 3.123 10 10 DGCE COc1ccc(C[C@H](CN=[N+]=[N-])NC(=O)OC(C)(C)C)cc1 1951351196 VEJYIMMCPDWFTI-GFCCVEGCSA-N 306.366 3.441 10 10 DGCE CC(C)(C)OC(=O)Nc1ccc([C@@H]2NCCC2(F)F)c(O)c1 1952931018 KDPFHDAJGKMBLS-LBPRGKRZSA-N 314.332 3.409 10 10 DGCE C[C@H](NC[C@H]1C[C@@H]1CNC(=O)OC(C)(C)C)c1ccccc1O 1973704401 UVYLRGHWLRILDQ-BFHYXJOUSA-N 320.433 3.204 10 10 DGCE C[C@@H](C[C@@H](C)O)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 1977923866 ZYFMDQAWOKZZAH-UONOGXRCSA-N 322.449 3.307 10 10 DGCE Cc1ccc([C@H](C)NC[C@H]2C[C@H]2NC(=O)OC(C)(C)C)c(O)c1 1978009212 PJBIHHPMSUBBQV-GZBFAFLISA-N 320.433 3.264 10 10 DGCE CN(CCCC(F)F)c1ccc(CO)cc1Br 2001741633 LCEKEPRVHZLQSY-UHFFFAOYSA-N 308.166 3.423 10 10 DGCE Oc1c(Br)cccc1CN[C@H]1C[C@@]12CC2(F)F 2004620225 VUUBVRFNVKUPSA-GXSJLCMTSA-N 304.134 3.042 10 10 DGCE Oc1ccc(Br)cc1CN[C@@H](CF)C(F)(F)F 2012896094 AZMNDLINEBIDCS-VIFPVBQESA-N 316.092 3.145 10 10 DGCE NCc1ccc(N2CCC[C@H](C(F)F)C2)c(Br)c1 2032451506 ZJEWMJACEFWTNB-JTQLQIEISA-N 319.193 3.389 10 10 DGCE C[C@@H]1[C@H](CN(C)c2ccc(CN)c(Br)c2)C1(F)F 2036080424 YIFMGDHGOHLJJQ-KCJUWKMLSA-N 319.193 3.245 10 10 DGCE CCOc1cccc(C=C2SC(=S)N(CC)C2=O)c1OC 2042445954 JBWBZWNBAJEXMA-UHFFFAOYSA-N 323.439 3.315 10 10 DGCE COc1cnn([C@H](C)c2cccc(C)c2O)c1Br 2070289663 RPXVRLXBJRCTQT-SECBINFHSA-N 311.179 3.278 10 10 DGCE Nc1cccc(Br)c1N[C@H]1CCCn2ccnc21 2074869646 CZEAXROAKZAVSC-NSHDSACASA-N 307.195 3.175 10 10 DGCE Cc1ccc([C@H](C2CC2)n2nc(C3CC3)c(C=O)c2N)c(O)c1 2078999569 RJHHGWFRPYKRMD-KRWDZBQOSA-N 311.385 3.169 10 10 DGCE CC(C)c1nn(Cc2c(O)cccc2F)c(C(F)F)c1CN 2079015964 CUFIYPFJZZTVGD-UHFFFAOYSA-N 313.323 3.296 10 10 DGCE CN1CCCc2cc([C@@H](N)c3cc(Br)co3)ccc21 2112426998 UQFWZGNQSGETDK-OAHLLOKOSA-N 321.218 3.473 10 10 DGCE C[C@@H]1CCCC[C@H]1S(=O)(=O)N1CCC[C@H](N=[N+]=[N-])CC1 2155557795 YBVDWXVGVJHFIC-FRRDWIJNSA-N 300.428 3.060 10 10 DGCE COc1ccc(N2CCNCC[C@@H]2C(F)(F)F)cc1Cl 2203008003 GBWHVSWGFBCXFF-GFCCVEGCSA-N 308.731 3.079 10 10 DGCE COc1ccc(Br)c(CN[C@@H]2C[C@H]2C(C)C)c1O 2220462698 PTFUYLGGLGEZSA-JOYOIKCWSA-N 314.223 3.297 10 10 DGCE NCc1ccc(N2C[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2)c(Br)c1 2264896241 WDLMGPNCORCAAN-KPWCQOOUSA-N 321.262 3.390 10 10 DGCE CO[C@H](CSc1ncc(CCN)s1)C1CCCCC1 2268661778 AMJZGIHOIABLEE-CYBMUJFWSA-N 300.493 3.332 10 10 DGCE CSc1ncc(CN[C@H](C)c2cnc3sccn23)s1 2269279189 PVLRDQQXWIRRHB-MRVPVSSYSA-N 310.473 3.425 10 10 DGCE CSc1ncc(CNCc2cc(F)c(N)cc2F)s1 2269314636 SRNNEPDEFHULEU-UHFFFAOYSA-N 301.387 3.015 10 10 DGCE CSc1ncc(CN2C[C@H](C)[C@H](CNC(C)(C)C)C2)s1 2284721087 BMHFEIIADWMWOI-NWDGAFQWSA-N 313.536 3.321 10 10 DGCE [N-]=[N+]=NCC1(CNC(=O)c2c(Cl)ccc(Cl)c2N)CC1 2286943887 YDKAMPZEIZELHO-UHFFFAOYSA-N 314.176 3.396 10 10 DGCE Cc1ccc(CNOCC2(F)CCC2)c(O)c1Br 2327612421 LTZZYFRMHQIKNC-UHFFFAOYSA-N 318.186 3.377 10 10 DGCE Cc1ccc(CN(C)c2cc(N)ccn2)c(O)c1Br 2352932778 RCEUSBVAWRJHGG-UHFFFAOYSA-N 322.206 3.077 10 10 DGCE CCc1nnsc1CN(C)c1ccc([C@H](C)N)c(Cl)c1 2360897454 VRRXRNUXXKFAGY-VIFPVBQESA-N 310.854 3.410 10 10 DGCE Nc1ccc(CCC(=O)N(Cc2ccsc2)C2CC2)cc1 48952269 DNEIWZXHLZIKIG-UHFFFAOYSA-N 300.427 3.454 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)C(=O)Nc1cc(F)ccc1F 96785402 OWSWCBBLDNBJET-VIFPVBQESA-N 307.296 3.193 10 10 DGCE CCOc1ccc(O)c(CNCc2cn3cccc(C)c3n2)c1 123981616 RHYLNPIKJWZIAB-UHFFFAOYSA-N 311.385 3.037 10 10 DGCE Oc1ccc(Cl)cc1CN1CCC(CN2CCCC2)CC1 134037015 DHKBDHDESDGIHO-UHFFFAOYSA-N 308.853 3.353 10 10 DGCE O=C(C[C@@H](O)c1ccccc1)NCc1ccc(N2CCCC2)cc1 179685064 HCQZCOZBZZZGRC-LJQANCHMSA-N 324.424 3.027 10 10 DGCE CCC1(CC)CN(Cc2cc(C)c(C)cc2O)CC[S@]1=O 187556810 YJIZLQNUJMOTHS-OAQYLSRUSA-N 309.475 3.132 10 10 DGCE Cc1cc(C)n(CCCN[C@@H](C)c2ccc(F)c(F)c2O)n1 191185116 UJJUEIVKWWCDSC-LBPRGKRZSA-N 309.360 3.225 10 10 DGCE CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)c1cc(OC)ccc1O 192565206 TWSVFHKTFCPPRV-SECBINFHSA-N 320.349 3.007 10 10 DGCE COc1ccc(O)c(CNc2ncnc3c(C)csc23)c1 192596515 CLCRJZFJXUVMRZ-UHFFFAOYSA-N 301.371 3.326 10 10 DGCE Cc1ccc([C@H](C)Nc2cc(-n3cnnn3)ccc2C)c(O)c1 192765109 MXALHEQWRXRNMM-ZDUSSCGKSA-N 309.373 3.158 10 10 DGCE Nc1ccc(CCNC(=O)/C=C\c2ccc(Cl)cc2)cc1 214078519 ANAUDVJBMXHDCV-YHYXMXQVSA-N 300.789 3.294 10 10 DGCE COc1ccc(CN2C[C@H](C)O[C@H](c3ccccc3)C2)c(O)c1 245560188 MNAUQXHQTDWEFQ-LIRRHRJNSA-N 313.397 3.363 10 10 DGCE Cc1cncc(/C=C\C(=O)N2CCN(C)c3cc(F)ccc32)c1 255768453 GRWXGFSKHUBADF-UTCJRWHESA-N 311.360 3.025 10 10 DGCE C[C@@H](Cn1cncn1)N[C@H](C)c1cc(Cl)c(Cl)cc1O 278741487 NIFMDUILEYPTSA-DTWKUNHWSA-N 315.204 3.030 10 10 DGCE COCCNCc1ccc(N(C)CCCSC)cc1Cl 312683761 AVYDORNUVWEDHM-UHFFFAOYSA-N 316.898 3.265 10 10 DGCE CC(C)(CO)CCCNCc1cc(Br)ccc1O 393438820 SNRYJVUBRQCVGY-UHFFFAOYSA-N 316.239 3.043 10 10 DGCE Cc1c(CNc2ccc(OC(C)C)nn2)n(C)c2ccccc12 573533649 NURAIESLTJTYFC-UHFFFAOYSA-N 310.401 3.676 10 10 DGCE C[C@H](CNCc1c(O)cccc1Br)c1ccccn1 706808405 LVZKITONXLJCIO-LLVKDONJSA-N 321.218 3.443 10 10 DGCE C[C@H]1CN(C(=O)c2cc(O)cs2)C[C@@H](c2ccc(F)cc2)O1 743637681 LYELGQOZFWEHFK-HZMBPMFUSA-N 321.373 3.195 10 10 DGCE CC(C)(C)[C@@H]1CCN(Cc2cc(Cl)cc(F)c2O)C[C@H]1O 757865410 GBWWKERSEQOXHU-TZMCWYRMSA-N 315.816 3.414 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)OC[C@@H]1CCc2ccccc2C1 759589786 SUSAAVNMNULICY-JOZWUWCOSA-N 324.376 3.459 10 10 DGCE O=C(/C=C/c1cncc(O)c1)N1CCCSc2ccccc21 779653692 UIOJDSYJWPXQQV-VOTSOKGWSA-N 312.394 3.329 10 10 DGCE C[C@H](NCC1(C)OCCCO1)c1cccc(C(F)(F)F)c1O 788783729 NVMVHACNPJQCRQ-JTQLQIEISA-N 319.323 3.215 10 10 DGCE Cc1nc(CC2CC2)sc1C(=O)NCc1ccccc1O 789815784 HRIXGOIKQQQYFR-UHFFFAOYSA-N 302.399 3.040 10 10 DGCE COc1ccc2ccc(O)c(CN(C)[C@H]3C[C@@H](OC)C3)c2c1 795671886 OMVYBPODPZNHNN-OTVXOJSOSA-N 301.386 3.163 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1C[C@H]1c1ccccc1 796500030 DCMXAYCDQUQXJY-RBUKOAKNSA-N 308.425 3.481 10 10 DGCE CC[C@H](N[C@H]1CCNC[C@H]1C)c1ccc(C(F)(F)F)cc1O 817970466 WHNOJOHECDPVTQ-SWHYSGLUSA-N 316.367 3.450 10 10 DGCE COc1ccc(N2CCN(C(=O)[C@H]3CCCC[C@@H]3C)CC2)cc1 819003194 AOXODRTXTLSBSZ-YJBOKZPZSA-N 316.445 3.170 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@H](C2CC2)[C@H](CO)C2CC2)cc1 835053476 CXDZFXDHGUZFCD-FMEUAVTJSA-N 314.473 3.153 10 10 DGCE COc1cccc(CNC/C=C\c2ccc(N(C)C)cc2)c1O 835053941 QIWHDDGDCILYSJ-WAYWQWQTSA-N 312.413 3.270 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1C[C@@H](C)[C@@H]1C 840480984 AMAGTATUISQUJT-ILXRZTDVSA-N 303.450 3.042 10 10 DGCE COc1c(C)ncnc1N1CC=C(c2ccc(Cl)nc2)CC1 848673921 FENKTQRFNFCGGC-UHFFFAOYSA-N 316.792 3.136 10 10 DGCE Cc1cc(O)c(CN[C@@H]2CCC[C@H]([S@](C)=O)C2)c(Cl)c1 850354826 BBZRFHFCORIAGZ-JGRMJRGVSA-N 315.866 3.133 10 10 DGCE C[C@H](N[C@H]1CCC[C@H]1Cc1cnn(C)c1)c1cc(F)ccc1O 850541088 ROOICCDSPAQWOX-JDFRZJQESA-N 317.408 3.327 10 10 DGCE COC(=O)C1=CC[C@@H](N[C@@H](C)c2cc(Cl)cc(C)c2O)C1 858473889 RLFXELRJDNFZIM-GXFFZTMASA-N 309.793 3.266 10 10 DGCE O=C(N[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@H]21)c1cc(O)cs1 862530757 SJAGVMVKZUSPOL-IACUBPJLSA-N 305.786 3.175 10 10 DGCE Nc1ccc(NC(=O)NCC2([C@@H]3CCCCO3)CCC2)cc1 868162060 CGEPCMACCLZYCT-HNNXBMFYSA-N 303.406 3.130 10 10 DGCE C[C@H](NC(=O)NC[C@@H]1CC12CCSCC2)c1ccccc1O 868715082 JJCBCHWGANBPNX-STQMWFEESA-N 320.458 3.286 10 10 DGCE O=C(NCc1c(O)cccc1F)NC[C@H]1C[C@@H]1c1ccccc1 923023678 CGYVDJGJYYMWEY-ZIAGYGMSSA-N 314.360 3.134 10 10 DGCE CCOCc1cc(CNC2([C@@H]3CCCCO3)CC2)ccc1OC 923026911 DQXDFFUQCMZUHR-SFHVURJKSA-N 319.445 3.423 10 10 DGCE CCN(C)c1ccc([C@@H](C)NCCc2cc(C)n(C)n2)cc1 926914877 MIYUVWNUTYUODO-OAHLLOKOSA-N 300.450 3.078 10 10 DGCE CC[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccncc1 1136922931 XIXSOMDHXLHJOO-CQSZACIVSA-N 311.345 3.125 10 10 DGCE CCC(C)(C)NC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C 1251981659 OTBZFYRBNQELNN-CQSZACIVSA-N 305.466 3.480 10 10 DGCE Cc1ncc(C)c(NCc2ccc(N3CCSCC3)cc2)n1 1327181732 HCZBHZCRCYAZKI-UHFFFAOYSA-N 314.458 3.259 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)C[C@H]2CC=CCC2)cc1 1437378528 GYUWCVRLDIGWAC-INIZCTEOSA-N 316.445 3.336 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)[C@@H](F)c1ccccc1 1451946556 DCMZUMFWWHYRPE-HNNXBMFYSA-N 310.328 3.267 10 10 DGCE Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1cc(Cl)ccc1O 1452941792 HCDHDOPWXKCQHI-UHFFFAOYSA-N 320.732 3.192 10 10 DGCE Cc1ncccc1/C=C/C(=O)N1CCOc2ccc(Cl)cc21 1532997858 CVRLDRLYAUQRTK-QPJJXVBHSA-N 314.772 3.482 10 10 DGCE Cc1cc(CN2CC[C@H](C)[C@H](O)C2)ccc1N1CCCCC1 1616825185 XTHRXWPZDQKUFX-HNAYVOBHSA-N 302.462 3.188 10 10 DGCE Cc1cccc(OC(F)F)c1NC(=O)Cc1ccc(O)c(O)c1 1626628044 UJGIUXMZTXAZHD-UHFFFAOYSA-N 323.295 3.189 10 10 DGCE C[C@@]1(CNC(=O)c2cc3cc(O)c(O)cc3s2)C[C@@H]2C[C@@H]2C1 1635077386 VWMWSEQAVLSTLG-FTJFQDGESA-N 317.410 3.479 10 10 DGCE C[C@H](NC(=O)N[C@@H](C)c1ccccc1O)c1nc2ccccc2[nH]1 1686845136 QVLZTFVIAZHHOF-RYUDHWBXSA-N 324.384 3.390 10 10 DGCE CC(C)OCCCN1C(=O)/C(=C\c2ccc[nH]2)SC1=S 1858590012 SYWIXHQUAQGBTF-FMIVXFBMSA-N 310.444 3.031 10 10 DGCE Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)s1 1912196881 YYBQBWDOGQZQAI-NSHDSACASA-N 314.436 3.076 10 10 DGCE CCc1cccc(CN[C@]23C[C@H]2CN(Cc2ccccc2)C3)c1O 1950090098 NSEVNJIAANIAND-FPOVZHCZSA-N 322.452 3.319 10 10 DGCE CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)O)c1c(C)cccc1O 1958781365 QZURLLIZHWBGHB-CYBMUJFWSA-N 309.362 3.083 10 10 DGCE C[C@@H]1CN(CCCN=[N+]=[N-])C(C)(C)CN1C(=O)OC(C)(C)C 1962297722 ACMDAKLTRLFYPS-GFCCVEGCSA-N 311.430 3.407 10 10 DGCE Oc1cc(Cl)ccc1CNc1cnn(CC(F)(F)F)c1 1964047003 ZTCAKGNLGJXARZ-UHFFFAOYSA-N 305.687 3.417 10 10 DGCE Oc1cc(Br)ccc1CN[C@@H]1CC[C@@H]2[C@H]1C2(F)F 1967819295 IMLDLTLBZIZPDG-CKYFFXLPSA-N 318.161 3.288 10 10 DGCE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1Cc1ccc(N)cc1 1977927075 SUGWTKHYHWWMLO-XJKSGUPXSA-N 319.449 3.146 10 10 DGCE C[C@@H](CCO)N(Cc1ccccc1)c1ccc2c(c1)CC[C@H]2O 1986602925 OKANMBQDLWYQNW-MGPUTAFESA-N 311.425 3.444 10 10 DGCE Oc1ccc(Br)cc1CNOCC1(F)CCC1 2008500605 CREGIEQVEBJDLY-UHFFFAOYSA-N 304.159 3.068 10 10 DGCE CSc1nnc(Sc2ncc(CNC(C)C)s2)s1 2037793051 GDNDMQLNEOYPQM-UHFFFAOYSA-N 318.518 3.366 10 10 DGCE Oc1cccc(Br)c1CN[C@@H]1[C@H]2CCC(F)(F)[C@H]21 2051233307 YXUFTICOKBIJGT-UPZJHPNMSA-N 318.161 3.288 10 10 DGCE O=c1c2ccc(Cl)cc2nc2n1CCC2=Cc1cccnc1 2053612284 CPKFXTBOOGVGIM-UHFFFAOYSA-N 309.756 3.389 10 10 DGCE CN(CC1(F)CCC1)c1cc(Br)c(CN)cc1F 2057678999 IOPRLKVGSXDUGV-UHFFFAOYSA-N 319.193 3.375 10 10 DGCE CO[C@H]1CC[C@@H]1CCNCc1cc(Br)ccc1O 2066823242 AKKLLPIBQXMUKT-YGRLFVJLSA-N 314.223 3.059 10 10 DGCE NCc1ccc2c(c1)CCN2Cc1ccc(Br)o1 2069537708 NHRJAVLKBFDSRN-UHFFFAOYSA-N 307.191 3.064 10 10 DGCE Cc1cc(CCNCc2c(O)cccc2Br)ccn1 2091820720 VTJJBOBSYJOCFQ-UHFFFAOYSA-N 321.218 3.190 10 10 DGCE COc1cccc(CNc2c(C)ccnc2Br)c1O 2227175371 YOFRYFBJPFOIDI-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE COC1(CNCc2cc(Br)ccc2O)CC(C)C1 2261487007 MKCOXQQQLNYYTN-UHFFFAOYSA-N 314.223 3.059 10 10 DGCE O=C1NC(=S)SC1=Cc1cccc(OC2CCCC2)c1 2297353361 VMCVEGFXMHYZTD-UHFFFAOYSA-N 305.424 3.497 10 10 DGCE O=C1C(=Cc2ccccc2F)SC(=S)N1CN1CCCC1 2297578360 WVIILIVHECUEGQ-UHFFFAOYSA-N 322.430 3.080 10 10 DGCE C[C@H]1CCN(C(=O)C=Cc2cncc(O)c2)c2c(O)cccc21 2309377870 XFACJFDZJRHANN-LBPRGKRZSA-N 310.353 3.046 10 10 DGCE CCc1ncc(CNCc2ccc(C)c(Br)c2O)[nH]1 2352670097 HCPATWICMBXSQD-UHFFFAOYSA-N 324.222 3.038 10 10 DGCE Clc1cccc(NCc2ccc(N3CCNCC3)cc2)c1 84847280 HDMDDZFIXXAUBV-UHFFFAOYSA-N 301.821 3.362 10 10 DGCE CN[C@H]1CCN(c2ccc(OC)c(Br)c2)[C@@H](C)C1 88320430 MSIGWHURSTWUCX-QWRGUYRKSA-N 313.239 3.034 10 10 DGCE COc1cccc(CNC[C@H](C)N(C)Cc2ccccc2)c1O 111389488 MOZZSULCNXBMJY-HNNXBMFYSA-N 314.429 3.011 10 10 DGCE Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2O)c(C)n1-c1ccccc1 130704225 UZLZQWJWHXRBPS-MSOLQXFVSA-N 312.413 3.127 10 10 DGCE C[C@H]1SCCN(c2ccc(CN)cc2Br)[C@@H]1C 132160854 NXNLSPDBCQGNHB-NXEZZACHSA-N 315.280 3.238 10 10 DGCE COc1cccc(CNC(=O)c2cc(C)c(F)cc2Cl)c1O 133584952 BGFRTZGUIGPMBT-UHFFFAOYSA-N 323.751 3.432 10 10 DGCE CC[C@H](N[C@@H]1CCO[C@@H]1C)c1cc(Br)ccc1O 134243290 ZJHCCHLRKOXBPW-JIMOISOXSA-N 314.223 3.373 10 10 DGCE C[C@H](CC(=O)O)[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 155912267 JJUQBALYHSXTCL-NEPJUHHUSA-N 311.809 3.368 10 10 DGCE C[C@H](NC[C@@H]1CCCC[C@@H]1O)c1cc2c(cc1O)CCCC2 185531491 QWBGWQBSOZDKOI-OWQGQXMQSA-N 303.446 3.473 10 10 DGCE CCCN(Cc1ccc(OC)cc1O)c1ccc(CN)cc1 194977151 HJAGPRZKXJCBIN-UHFFFAOYSA-N 300.402 3.276 10 10 DGCE Cc1nnc(CN(C)Cc2ccc(N3CCCCC3)cc2)s1 271364991 ANRRKQKQZCFNTN-UHFFFAOYSA-N 316.474 3.469 10 10 DGCE CN(Cc1ccc(N2CCCCC2)cc1)[C@H]1CC[C@H](O)CC1 275914858 FTOVDLOCLMHCQX-UAPYVXQJSA-N 302.462 3.412 10 10 DGCE COc1cccc2c1N(C(=O)/C=C/c1cncs1)CCC2 281518124 UGIKAAVDIUBIEF-BQYQJAHWSA-N 300.383 3.144 10 10 DGCE Oc1cc(F)c(Cl)cc1CNC[C@@H]1CSCCS1 293511462 CFMBKUNWZZBTGF-SECBINFHSA-N 307.843 3.123 10 10 DGCE CC[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(N)cc1 302909578 ROOOLIMZSVTFMX-HNNXBMFYSA-N 312.413 3.475 10 10 DGCE C[C@@H](N[C@H](C)c1nnc2n1CCCCC2)c1ccc(F)cc1O 320572997 QUOKGWZOVNZGRC-VXGBXAGGSA-N 318.396 3.261 10 10 DGCE C[C@H](N[C@@H]1CCc2nc[nH]c2C1)c1cc2c(cc1O)CCCC2 377802500 KIONZWDLRYQRLL-SWLSCSKDSA-N 311.429 3.202 10 10 DGCE NCc1ccc(N2CC[C@@H](COCc3ccccc3)C2)c(F)c1 383900828 ISIINQLGPGGYHQ-QGZVFWFLSA-N 314.404 3.328 10 10 DGCE Oc1cc(Cl)cc(Cl)c1[C@H](C1CC1)N1CCNCC1 575267180 NNWNTUIJXMRUGQ-AWEZNQCLSA-N 301.217 3.055 10 10 DGCE COc1ccc([C@@H](C2CCCCC2)N2CCOCC2)c(O)c1 575295267 RYZSJKBJQKTKTD-GOSISDBHSA-N 305.418 3.354 10 10 DGCE CC1(C)CN(c2ccc(OC(F)(F)F)cc2Cl)CCN1 699652136 UAKRIKKFXOQIHH-UHFFFAOYSA-N 308.731 3.427 10 10 DGCE C[C@@H](CNCc1cc(F)cc(F)c1O)N(C)Cc1ccccc1 708536291 YRBOLGAHINTLLZ-ZDUSSCGKSA-N 320.383 3.281 10 10 DGCE C[C@@H](CC(=O)NCc1ccc(N2CCCC2)cc1)c1cccnc1 734422789 ZHCBIUJVEOSLMZ-INIZCTEOSA-N 323.440 3.492 10 10 DGCE C[C@]1(C(=O)O)CCC[C@H]1NCc1cc(Cl)cc(Cl)c1O 756391005 XGDXABFDEOJPJK-RISCZKNCSA-N 318.200 3.432 10 10 DGCE CN(C)c1ccc(CN[C@H]2CCN(C)[C@@H]2c2ccccc2)cc1 758602590 MSZIOPLQRVVVFR-VQTJNVASSA-N 309.457 3.288 10 10 DGCE CC[C@@H]1C(=O)N([C@H](C)c2ccc(N(C)C)cc2)C(=O)N1C1CC1 761576170 ASKWYIIUQCXKMA-MLGOLLRUSA-N 315.417 3.019 10 10 DGCE CN(C)c1ccc(CN2CCC[C@@H]([C@@H]3CCOC3)C2)cc1F 770374991 PMYCBBQNBZIEDN-HZPDHXFCSA-N 306.425 3.140 10 10 DGCE COc1ccc2c(c1)CCCN2C(=O)/C=C\c1cncc(C)c1 772029516 MAGCGDBACOVUKF-YVMONPNESA-N 308.381 3.391 10 10 DGCE CN(Cc1cc(-c2ccccc2)n[nH]1)c1ccc2c(c1)OCO2 780778875 VXGXUBLHFWXUID-UHFFFAOYSA-N 307.353 3.442 10 10 DGCE C[C@@H]1CN(Cc2cc(Br)ccc2O)[C@H](C)[C@@H](C)O1 783738880 YHKIJZVYMDOLOE-GMTAPVOTSA-N 314.223 3.152 10 10 DGCE COc1ccc(CNC(=S)Nc2ccc(F)cc2)c(O)c1 795030916 FSFOGFLWMYMDKO-UHFFFAOYSA-N 306.362 3.027 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1C[C@H]1c1ccccc1 796800005 CVUQZFIIRBDHGQ-DLBZAZTESA-N 322.408 3.282 10 10 DGCE COC[C@@H](C)CNC(=O)Cc1cc(C)n(-c2ccccc2)c1C 823849246 GVPUBUDRDFHZNT-AWEZNQCLSA-N 314.429 3.035 10 10 DGCE C[C@@H](NCCC1(CN)CC1)c1cccc(C(F)(F)F)c1O 844922015 YYNVEZSFKONQOI-SNVBAGLBSA-N 302.340 3.191 10 10 DGCE OCC1CCN(c2ccc(CN[C@@H]3CCCC34CC4)cc2)CC1 850427201 OUJBCGVZJAZGIS-LJQANCHMSA-N 314.473 3.318 10 10 DGCE COc1ccc(N2CC[C@H](N[C@H]3CCc4cccc(O)c43)C2)cc1 850486510 IFHIQMORYNPHCY-YJBOKZPZSA-N 324.424 3.257 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)N1CC2CC1(c1ccccc1)C2 856439659 CESAJTZADIALDR-VQHVLOKHSA-N 321.376 3.259 10 10 DGCE C[C@H](NCc1ccc(N2CCOCC2)cc1)C1CC(F)(F)C1 862273251 VMDIFXUYHGVILI-ZDUSSCGKSA-N 310.388 3.047 10 10 DGCE Oc1cccc(Br)c1CN1CC2(CC(F)C2)C1 862388865 ADBDXWWISUSWPR-UHFFFAOYSA-N 300.171 3.089 10 10 DGCE Cc1ccc(O)c([C@H](C)NCc2nc(CN(C)C)cs2)c1 903223065 SLDXIWSWMFPTMS-LBPRGKRZSA-N 305.447 3.070 10 10 DGCE C[C@@H]1C[C@@H]2C[C@H]2C[C@@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 1125534091 BAAWTQPHJWCBDB-RZFFKMDDSA-N 304.409 3.190 10 10 DGCE CCc1cnc(NC(=O)c2ccc(N=NC(N)=O)cc2)s1 1136911737 DXNNGNLWGZVASP-UHFFFAOYSA-N 303.347 3.120 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1ccnc(C2CC2)n1 1157041330 DNCXNAVFIOFSEZ-UHFFFAOYSA-N 319.364 3.143 10 10 DGCE Cc1ccc(Cl)cc1OCC(=O)N1Cc2cccc(O)c2C1 1175037097 CGIIOSLEYPYXSH-UHFFFAOYSA-N 317.772 3.275 10 10 DGCE Cc1ccc(CN(C)C(=O)/C=C/c2ccc(O)c(O)c2)cc1C 1179687099 OWNXWEZDAGHQOH-VQHVLOKHSA-N 311.381 3.386 10 10 DGCE Oc1cc(Br)ccc1CNC[C@H]1C[C@H]2C=C[C@H]1C2 1184303652 RJCNOABWHOAJOA-GMXVVIOVSA-N 308.219 3.457 10 10 DGCE C[C@H](N[C@H](C)c1ccccc1O)C(=O)Nc1c(F)cccc1F 1197004715 VBBPRCSMGRMUIS-MNOVXSKESA-N 320.339 3.348 10 10 DGCE O=C(Cc1cccc(Cl)c1F)NCc1c(O)cccc1F 1456030075 QAJIDLZLANUTLW-UHFFFAOYSA-N 311.715 3.183 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCC1CC=CC1 1478982507 DECHWTWHAFAQQW-UHFFFAOYSA-N 313.445 3.394 10 10 DGCE COc1ccc(CNCC(C)(C)CN(C)C(=O)C(C)C)cc1C 1570669646 GALVQXVOSGYCTN-UHFFFAOYSA-N 320.477 3.234 10 10 DGCE C=C/C=C/CCNC(=O)NCc1ccc(N(CC)CC)cc1 1629811983 MPYBNXUBAYNKON-BQYQJAHWSA-N 301.434 3.464 10 10 DGCE Cc1ccc([C@@H]2C[C@H]2NC(=O)c2ccc(N=NC(N)=O)cc2)cc1 1630821947 SIPTUEJGCSQLBQ-JKSUJKDBSA-N 322.368 3.443 10 10 DGCE Cc1ccc(O)c(CNC(=O)N[C@H](C)[C@@]23CCCC[C@H]2C3)c1 1637638440 JJLFBJNZPIYTOE-XUWXXGDYSA-N 302.418 3.469 10 10 DGCE c1cc2c(cc1CNC[C@@H]1CCN1C1CCCC1)CCCO2 1657784749 HYAXQCAHMJZJIN-SFHVURJKSA-N 300.446 3.118 10 10 DGCE CC[C@@H]1CCCCN1C(=O)CCNCc1cc(Cl)ccc1O 1857864703 BPXKKQLYNVQJCL-OAHLLOKOSA-N 324.852 3.316 10 10 DGCE Cc1ccc(O)c([C@@H](CCC(=O)O)NC(=O)OC(C)(C)C)c1 1951654232 ZJTFVVRMVBVACX-GFCCVEGCSA-N 309.362 3.131 10 10 DGCE Cn1ccc2ccc([C@@H]3[C@H](N)CCN3C(=O)OC(C)(C)C)cc21 1952324580 ONTJNVKGMMSNTH-GDBMZVCRSA-N 315.417 3.188 10 10 DGCE CC(C)[C@@H](CNC(=O)OC(C)(C)C)Nc1c(N)cccc1F 1959373706 MDMZTIAULBGKHC-CYBMUJFWSA-N 311.401 3.369 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@]2(CCN(CCN=[N+]=[N-])C2)C1 1962300689 RLSJPMORSDKWGZ-HNNXBMFYSA-N 309.414 3.020 10 10 DGCE C[C@H](NCC1(C)CN(C(=O)OC(C)(C)C)C1)c1ccccc1O 1970949522 KWVWTFFAMGFTRT-ZDUSSCGKSA-N 320.433 3.300 10 10 DGCE COc1cccc(O)c1CN[C@H](C)CCOCc1ccccc1 1976859570 XPDPAVVLYPWTEE-OAHLLOKOSA-N 315.413 3.486 10 10 DGCE CN(C[C@H]1CCCCN1c1ccc(N)cc1)C(=O)OC(C)(C)C 1977898294 LTFMOPWSJLWIKU-MRXNPFEDSA-N 319.449 3.495 10 10 DGCE C[C@@H]1C[C@@](O)(c2ccc(N(C)C)cc2)CN1Cc1ccccc1 1977940033 UMUKCNKTUHKBSM-UZLBHIALSA-N 310.441 3.235 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(N)cc2)[C@H]1C1CC1 1991052364 DRBOVXQUQHLXCR-HZPDHXFCSA-N 317.433 3.469 10 10 DGCE CN(Cc1ccccc1)[C@H]1CCN(c2ccc3c(c2)CC[C@@H]3N)C1 2012708445 FEEIMQKDWYTGGO-FPOVZHCZSA-N 321.468 3.343 10 10 DGCE CNCc1ccc(N(C)C2[C@@H]3CCC[C@@H]23)cc1Br 2033879958 MTWVHGMDYMRNAK-CHWSQXEVSA-N 309.251 3.403 10 10 DGCE CNCc1ccc(N2CC(F)(F)C[C@H]2C)cc1Br 2051996196 BTOUZMIOTCZZRU-SECBINFHSA-N 319.193 3.402 10 10 DGCE COc1ccc(O)c(Cn2nc(C3CC3)cc2Br)c1 2070025913 MYHSGXAWESEVGB-UHFFFAOYSA-N 323.190 3.286 10 10 DGCE Nc1cc(C2CCC2)nn1Cc1c(O)cccc1Br 2070157876 BEQVHSACLYEYJG-UHFFFAOYSA-N 322.206 3.249 10 10 DGCE COc1ccc([C@@H](C(C)C)n2nc(C(C)C)c(N)c2N)c(O)c1 2080001762 NLBCZUKQRIVSGD-MRXNPFEDSA-N 318.421 3.131 10 10 DGCE COCCNCc1cc(C)c(Sc2nccs2)s1 2082368156 RTKQFQYWMYUUAW-UHFFFAOYSA-N 300.474 3.400 10 10 DGCE Oc1cccc2c1[C@H](NC[C@@]1(Br)CC1(F)F)CC2 2082494619 RUPYAAUYKXSTHI-SKDRFNHKSA-N 318.161 3.142 10 10 DGCE CNCc1ccc(N2C[C@H]3CC[C@@]3(C)C2)c(Br)c1 2086875767 DRXXALOFWCQSPS-DOMZBBRYSA-N 309.251 3.405 10 10 DGCE FC(F)(F)Oc1ccc(N2C[C@@H]3C[C@H](CN3)C2)cc1Cl 2160650408 PICRNDKIUSGNCD-BDAKNGLRSA-N 306.715 3.037 10 10 DGCE C[C@H](NC(C(F)(F)F)C(F)(F)F)c1ccc(O)cc1O 2183912285 NOSCBDJZQZRGAV-YFKPBYRVSA-N 303.202 3.242 10 10 DGCE CN[C@@H](C)c1ccc(N2CCSCC(F)(F)C2)c(F)c1 2193332475 DTPDXLWIOLXWBB-JTQLQIEISA-N 304.381 3.295 10 10 DGCE COC1(C(F)(F)F)CC(NCc2cnc(SC)s2)C1 2208851820 GJGMRGURFZVFBK-UHFFFAOYSA-N 312.382 3.065 10 10 DGCE N[C@@H](c1ccccc1O)c1c(F)ccc(Br)c1F 2223339868 KTVLDMKGCQZQAQ-ZDUSSCGKSA-N 314.129 3.481 10 10 DGCE C[C@H](O)c1ccc(N(C)C[C@@H](F)[C@@H]2CCOC2)c(Cl)c1 2238344599 XZLHEGJQOHZXKL-ZKYQVNSYSA-N 301.789 3.204 10 10 DGCE Cn1c(C=Cc2ccccc2[N+](=O)[O-])nc2ccccc2c1=O 2297327001 LDPJBIMAYVCUGN-UHFFFAOYSA-N 307.309 3.012 10 10 DGCE CN1CCC(N2C(=O)C(=Cc3cccs3)SC2=S)CC1 2297394657 RJIUAYCLTJTZPF-UHFFFAOYSA-N 324.496 3.044 10 10 DGCE CN1CCN(C(=O)C=Cc2cccnc2)c2cc(Cl)ccc21 2297757568 KHOVHTCTNVFPOY-UHFFFAOYSA-N 313.788 3.231 10 10 DGCE Oc1ccc(CNc2cc(O)ccc2Br)c(O)c1 2321037547 AXCPIXWQPYGXJJ-UHFFFAOYSA-N 310.147 3.178 10 10 DGCE O=C(c1ccco1)N1CCN(N=Nc2cccc(Cl)c2)CC1 2330232624 HMIDPTLZAZSZQH-UHFFFAOYSA-N 318.764 3.390 10 10 DGCE O=C(O)[C@@](CSc1nccs1)(CC1CCC1)NC1CC1 2366464037 AWGUCEDMCZHGFV-AWEZNQCLSA-N 312.460 3.001 10 10 DGCE C[C@H](N)c1ccc(N2CCN(Cc3ccccc3)CC2)c(F)c1 302832744 UEVJMKWETPVMFZ-HNNXBMFYSA-N 313.420 3.168 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@H]1C[C@H]2[C@H]3CC[C@@H](O3)[C@@H]12 2356932137 TZOVNHAIEUYQIC-DDNMXHNFSA-N 314.212 3.355 10 10 DGCE C[C@@H](NC(=O)Nc1ccc(N)cc1)Oc1ccc(Cl)cc1 217294402 RBIPLDBILDVBTR-JTQLQIEISA-N 305.765 3.469 10 10 DGCE O=C(Nc1ccc(Br)cc1)c1ccc(O)c(O)c1 226950775 QKMOJOZJVKVVHD-UHFFFAOYSA-N 308.131 3.113 10 10 DGCE CCCN[C@](CC)(CCCSc1nccs1)C(=O)O 233192034 DOJPGUMSZGPDCO-CYBMUJFWSA-N 302.465 3.248 10 10 DGCE Cc1ccc(O)c([C@H](C)NC[C@H]2c3ccccc3C(=O)N2C)c1 527998703 AAFXYGBTZSQAHL-GUYCJALGSA-N 310.397 3.178 10 10 DGCE C[C@@H](N[C@@H]1CCNC12CCC2)c1cccc(C(F)(F)F)c1O 530214786 CTNPSOOFVSPQJI-ZWNOBZJWSA-N 314.351 3.346 10 10 DGCE C[C@H](NC(=O)N[C@@H]1CSC1(C)C)c1ccc(N(C)C)cc1 801764199 SSFPCTDSQZRZTF-SMDDNHRTSA-N 307.463 3.007 10 10 DGCE CC(=O)C(=O)COC(=O)C[C@H](Cc1ccccc1)c1ccccc1 808521246 LFNYRRLQLOWRAJ-SFHVURJKSA-N 324.376 3.104 10 10 DGCE C[C@@H](NC(=O)c1cnc(Cl)c(F)c1)c1ccc(N(C)C)cc1 803218320 UPQRRBTWDBUQMX-SNVBAGLBSA-N 321.783 3.431 10 10 DGCE CN(C)c1ccc(OCc2csc(N(C)C3CC3)n2)cc1 810001788 LSWJITSKIHVHES-UHFFFAOYSA-N 303.431 3.387 10 10 DGCE CC(C)(C)C1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 588408009 SAFUQQXELYKLIU-ALCCZGGFSA-N 303.402 3.396 10 10 DGCE CCN(CC)c1ccc(CN[C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@H]23)cc1 902754426 CDNPKUSQBMBILG-WKWVNEEDSA-N 314.473 3.436 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)Cc1cc(C2CC2)no1 830146380 IEXKDEFARJAYMQ-UHFFFAOYSA-N 314.385 3.239 10 10 DGCE CCCN(CCC)c1ccc(CN2CCC[C@@H]2C(=O)O)cc1 840995725 OCAFZQIKFWXRRW-QGZVFWFLSA-N 304.434 3.362 10 10 DGCE CCCN(CCC)c1ccc(CN(C)C[C@H](C)C(=O)O)cc1 840999244 QWMCBWFODLPCAD-HNNXBMFYSA-N 306.450 3.466 10 10 DGCE CCCN(CCC)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 852452816 GRJPMHNWIGKFRO-OAHLLOKOSA-N 319.449 3.106 10 10 DGCE C[C@H]1C[C@@H](NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)c2c(O)ccc(F)c21 926937550 PDXLWPUOIXBVMF-DKBOKBLXSA-N 303.377 3.260 10 10 DGCE CC[C@@H](C)CCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 852450672 RFXDPVWDQIWCCD-CABCVRRESA-N 319.449 3.009 10 10 DGCE CC[C@H](C)C(=O)COC(=O)c1cc(C)n(-c2ccccn2)c1C 756372040 PAWXUVZEYQSOMX-LBPRGKRZSA-N 314.385 3.261 10 10 DGCE COc1ccc(N2CC[C@H](Nc3ccc(Cl)cn3)C2)cc1 853759057 OHKCGXCJNAMLME-ZDUSSCGKSA-N 303.793 3.434 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@@]1(O)C[C@H]2C=C[C@H]1C2 850374947 ULTOHPGMKJWNHN-ZSGNIPIJSA-N 314.212 3.116 10 10 DGCE COc1ccc(N2CC[C@@H](Nc3nc(C(C)C)ns3)C2)cc1 853759094 PAXOVRWHTRUXGE-GFCCVEGCSA-N 318.446 3.361 10 10 DGCE C[C@H](NC(=O)NCCC1C[C@@H](C)O[C@H](C)C1)c1ccccc1O 868585476 FPFWLLYUBNVGLT-MCIONIFRSA-N 320.433 3.346 10 10 DGCE C[C@@H](NC(=O)N[C@H](C1CC1)[C@H]1CCCCO1)c1ccccc1O 868750270 ITHYMCUNPZZAPO-CSMYWGQOSA-N 318.417 3.100 10 10 DGCE CCN(C)c1ccc(CN2CC[S@](=O)C(CC)(CC)C2)cc1 773858510 MMIPODFJAHEIBC-QFIPXVFZSA-N 322.518 3.266 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CC[C@H]([C@@H]3CCCO3)C2)c1O 886830806 XOJKWCDKRHFEBB-LRDDRELGSA-N 323.820 3.249 10 10 DGCE CN(C)c1ccc(CNC(=O)c2cccnc2C(F)F)cc1 887767361 JDIBMTGDVCSYDF-UHFFFAOYSA-N 305.328 3.015 10 10 DGCE COc1cc(Cl)cc(CNC[C@H]2CC3(CCC3)CO2)c1O 895790755 KVIQLBJOQDOSJF-CYBMUJFWSA-N 311.809 3.103 10 10 DGCE O=C(N[C@]12CCCC[C@@H]1C2)c1cc2cc(O)c(O)cc2s1 899163423 HHYPRABTXNKTQL-HWPZZCPQSA-N 303.383 3.375 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)c1nc(C2CC2)oc1C 796502434 SHVXAZUIDHTLJA-UHFFFAOYSA-N 313.401 3.165 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)N(C)[C@H]2CCOC2)c1 798959421 HZJJATWYNCZQOG-INIZCTEOSA-N 312.413 3.263 10 10 DGCE O=C(C[C@@H]1Cc2ccccc2O1)NCc1cc(Cl)ccc1O 1146231237 CZTKNPJQKPKXNT-AWEZNQCLSA-N 317.772 3.056 10 10 DGCE C[C@H](CCCNCc1ccc(N)cc1)NC(=O)OC(C)(C)C 1958768098 DCWLZPODVYBKCA-CYBMUJFWSA-N 307.438 3.052 10 10 DGCE C[C@@H](NC(=O)c1cnc(O)c2ccccc12)c1ccccc1O 1302532491 FUBNMSSGVKGYDF-LLVKDONJSA-N 308.337 3.137 10 10 DGCE C[C@@H](NC(=O)c1c(Cl)nc2ccccn12)c1ccccc1O 1302530216 GCIVHDMZPVVPQP-SNVBAGLBSA-N 315.760 3.184 10 10 DGCE C[C@H](NC(=O)N[C@@H](C)c1ccccc1O)c1cccc(O)c1 1312605873 GRTLNBDOIVUHOP-RYUDHWBXSA-N 300.358 3.219 10 10 DGCE CN1CCc2cc(Cc3nccn3Cc3ccccc3O)ccc21 82736488 CPCKESQPQUBQOS-UHFFFAOYSA-N 319.408 3.220 10 10 DGCE CC(C)CCS(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1 213355683 HPJYTTNUPGAIFV-UHFFFAOYSA-N 312.218 3.487 10 10 DGCE Nc1ccc(CC[C@@H](O)c2sncc2Br)cc1 712117295 ZDEQPESSQMZAEW-LLVKDONJSA-N 313.220 3.154 10 10 DGCE CO[C@H]1CCC[C@H]1N(C)Cc1cc(Br)ccc1O 687465758 CEUTTZYJNGFWCX-OCCSQVGLSA-N 314.223 3.154 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C[C@H]2C=C[C@H]1CC2 1255761591 HRZWJJXEQMVLHR-QILLFSRXSA-N 313.445 3.249 10 10 DGCE C[C@@H]1CN(c2ccc(CN)cc2Cl)C[C@@](C)(C(F)F)O1 698781719 PCVOAHFDIODKLI-OTYXRUKQSA-N 304.768 3.048 10 10 DGCE NCc1ccc(N2CC[C@H](n3cccc3)C2)c(Br)c1 2115191239 XRWCDXRYSLBZKB-ZDUSSCGKSA-N 320.234 3.161 10 10 DGCE [N-]=[N+]=NCC1(CNC(=O)c2cc(Cl)ncc2Cl)CC1 2117729558 XFNLFBIYYJVJNC-UHFFFAOYSA-N 300.149 3.209 10 10 DGCE CCC1(C(=O)NCC[C@@H](C)NCc2ccc(OC)c(C)c2)CC1 1714486118 DYFGFMXPTBHYMJ-OAHLLOKOSA-N 318.461 3.178 10 10 DGCE Cc1c(O)nc2ccccc2c1C(=O)N1Cc2cccc(O)c2C1 1558036359 YNRGJAUAPXXEKV-UHFFFAOYSA-N 320.348 3.110 10 10 DGCE c1cc(N2CCOCC2)ccc1CNc1ccc2c(n1)CCCC2 1560579074 VUKQZBRYRITREX-UHFFFAOYSA-N 323.440 3.409 10 10 DGCE C[C@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccccc1O 1648891561 BRUBINIIDKMLMU-VIFPVBQESA-N 320.732 3.445 10 10 DGCE C[C@H](NC(=O)c1cnnc(-c2ccccc2)c1)c1ccccc1O 1587451333 QGQFGRINLFRIAM-ZDUSSCGKSA-N 319.364 3.340 10 10 DGCE CN(Cc1ncccc1Br)c1ccc2c(c1)OCO2 1652925849 QTVOMBHZKPDTEM-UHFFFAOYSA-N 321.174 3.209 10 10 DGCE COc1ccc(Br)nc1Sc1nccs1 1974768946 KXHSQWUVIYWYKO-UHFFFAOYSA-N 303.206 3.460 10 10 DGCE CCNCc1ccc(N2C[C@@H]3CCCN3C[C@@H]2C)c(Cl)c1 164157696 IHCKGUGUTRCFOQ-ZFWWWQNUSA-N 307.869 3.122 10 10 DGCE CC(=O)N(c1cccc2c1C(=O)c1ccccc1C2=O)C(C)C 1859888974 ANNROGZTZUYXEK-UHFFFAOYSA-N 307.349 3.223 10 10 DGCE O=[N+]([O-])c1ccc(NN=NCCCn2ccnc2)c(Cl)c1 1860492555 YPHIOFBGBSMVEC-UHFFFAOYSA-N 308.729 3.314 10 10 DGCE N[C@H](CSc1nccs1)c1ccnn1Cc1ccccc1 1903575050 ILMQABVXOIJCIU-CYBMUJFWSA-N 316.455 3.180 10 10 DGCE CN1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1(C)C 211457856 ARWJPEYKWROTNN-UHFFFAOYSA-N 303.233 3.225 10 10 DGCE CCC[C@@H](CNC(=O)OC(C)(C)C)[C@H](N)c1ccccc1O 1928475190 VFMJQZRMOSSQDS-WFASDCNBSA-N 308.422 3.333 10 10 DGCE CSCC1CC(NCc2ccc(Br)cc2O)C1 1974333860 BDUNRYAMJSHNKB-UHFFFAOYSA-N 316.264 3.386 10 10 DGCE CCN(CC)c1ccc([C@H](N)[C@H](C)NC(=O)OC(C)(C)C)cc1 1977944514 GVWVKTAVOAXDHD-XJKSGUPXSA-N 321.465 3.446 10 10 DGCE Oc1cccc(Cl)c1CN1CCOC[C@@H]1CC(F)(F)F 2150468339 GLDNWLVWHQCFRK-VIFPVBQESA-N 309.715 3.199 10 10 DGCE CN(c1ccc(CO)cc1Br)[C@H]1CCC[C@H]1F 2006782874 YYWRYTAXWBHUDX-YPMHNXCESA-N 302.187 3.268 10 10 DGCE O[C@@H]1CCc2cc(N3C[C@H]4C[C@H]3CN4Cc3ccccc3)ccc21 2012704779 GKHXIFXTMUBSMO-SVFBPWRDSA-N 320.436 3.129 10 10 DGCE NCc1ccc(N2CC(SC(F)F)C2)c(Br)c1 2019936784 WKGLTVGFQBWYPX-UHFFFAOYSA-N 323.206 3.052 10 10 DGCE C[C@@H](O)c1ccc(N2CC=C[C@@H]2CF)c(Br)c1 2024024064 UDUAPKAZPRSYJN-MWLCHTKSSA-N 300.171 3.217 10 10 DGCE CSC[C@H]1CCCN1c1ccc(CN)c(Br)c1 400310920 ALLYWDRDDIVMRT-GFCCVEGCSA-N 315.280 3.240 10 10 DGCE Oc1ccccc1CN[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 310158070 QPXSRDCGLBYWIO-HSALFYBXSA-N 322.452 3.392 10 10 DGCE FC(F)(F)Oc1ccc(N2C[C@@H]3C[C@H](CN3)C2)c(Cl)c1 2160648287 MOMYTHSSKIREFK-BDAKNGLRSA-N 306.715 3.037 10 10 DGCE CN[C@H](C)c1ccc(N2CCOC[C@@H]2C(F)F)c(Cl)c1 2175653311 HTTOWQOMHQQSMM-NOZJJQNGSA-N 304.768 3.091 10 10 DGCE Oc1cccc2c1[C@H](NCc1cnn(Cc3ccccc3)c1)CC2 390409093 DWBWNGGWGJGWSN-GOSISDBHSA-N 319.408 3.414 10 10 DGCE CS[C@@H]1CCCN(c2ccc(CN)c(C(F)(F)F)c2)C1 382988585 XEUHUOZXOJUHJA-GFCCVEGCSA-N 304.381 3.496 10 10 DGCE Cc1cnn(Cc2cccc(Br)c2O)c1Cl 2070321795 PJDVYNNSGWLHIG-UHFFFAOYSA-N 301.571 3.361 10 10 DGCE COc1cccc(Cn2nc(C(C)C)c(C3(C)CC3)c2N)c1O 2079834334 HBJGFHPFXHREMQ-UHFFFAOYSA-N 315.417 3.403 10 10 DGCE Cc1cc(O)c([C@@H](C)n2nc(C3(C)CC3)c(N)c2N)cc1C 2080008935 WKLPPNWRGJHBQO-LLVKDONJSA-N 300.406 3.031 10 10 DGCE NCc1ccc(N2CCC23CC(CF)C3)c(Br)c1 2061888791 SIKBXIDGFVOQDK-UHFFFAOYSA-N 313.214 3.236 10 10 DGCE Nc1cc(Br)ccc1NCCc1ccc(O)c(O)c1 2091750076 CBJCNQOKODCRNY-UHFFFAOYSA-N 323.190 3.097 10 10 DGCE CSc1ccccc1NC(=O)C=Cc1ccc(O)c(O)c1 2307982236 UUBTVXVPQJOYJH-UHFFFAOYSA-N 301.367 3.472 10 10 DGCE CCOc1ccc(-n2c(C)cc(CNCCOC)c2C)cc1 113704437 HJRLUVGSLFIEBR-UHFFFAOYSA-N 302.418 3.229 10 10 DGCE Cc1ccc(CO)c(OCc2ccc(N)cc2)c1Br 2352593033 WRZJTVJRCYGHIF-UHFFFAOYSA-N 322.202 3.411 10 10 DGCE Cc1ccc(CNc2cnc(C)c(C)n2)c(O)c1Br 2352627897 RPPKKKWUUSXMTJ-UHFFFAOYSA-N 322.206 3.482 10 10 DGCE CCc1cc2c(NCc3cc(N)ccc3O)ncnc2s1 37671331 MQPUJMZROYWTER-UHFFFAOYSA-N 300.387 3.154 10 10 DGCE CN(CC(=O)N[C@H]1CCCc2ccccc21)Cc1ccccc1O 109772366 QEEDIGYNRUEJKT-SFHVURJKSA-N 324.424 3.018 10 10 DGCE COc1cc(CN2C[C@@H](C)O[C@H](C)C2)c(O)c(C(C)(C)C)c1 125086541 HMJQXMNJHDKZDO-CHWSQXEVSA-N 307.434 3.308 10 10 DGCE CSCCCCNC(=O)NCc1ccc(N2CC=CC2)cc1 127220930 ZTPQFCFZUOPUJV-UHFFFAOYSA-N 319.474 3.005 10 10 DGCE COCCOc1ccc(Cl)cc1C(=O)Nc1ccc(N)cc1 160358276 JKNOVEQKKYUFBP-UHFFFAOYSA-N 320.776 3.200 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)C(=O)Nc1cc(Cl)ccc1O 170245182 NJIOSVPFSHZNIA-SECBINFHSA-N 321.760 3.274 10 10 DGCE CCc1cnccc1C(=O)NCc1c(O)ccc2c1CCCC2 182556776 MBEVHRGFOWWBQO-UHFFFAOYSA-N 310.397 3.158 10 10 DGCE CC(C)c1nnc2n1CCN(Cc1ccc(N(C)C)cc1)[C@@H]2C 188449608 OGSGPUNPDGSSPC-CQSZACIVSA-N 313.449 3.044 10 10 DGCE CN(CC(F)F)c1ccc(CNC2CC2)cc1Br 234292391 SQEHUDZIULIGSG-UHFFFAOYSA-N 319.193 3.402 10 10 DGCE CNCc1ccc(N2CC[C@@]3(O)CCCC[C@H]3C2)c(Cl)c1 249861098 ZJWQKWRFLFXLCS-YOEHRIQHSA-N 308.853 3.191 10 10 DGCE C[C@H](N)c1ccc(N2CCN(Cc3ccccc3)[C@H](C)C2)cc1 396422632 DOBFGXALTSWQMT-SJORKVTESA-N 309.457 3.417 10 10 DGCE C[C@H]1C[C@H](N(C)c2ccc([C@H](C)N)cc2Br)CO1 401573335 MUTMSMBGWFOKDG-NHCYSSNCSA-N 313.239 3.082 10 10 DGCE NCc1ccc(N2CCC=C(Cl)C2)c(Br)c1 404417680 GNSJSQDTCQVYSH-UHFFFAOYSA-N 301.615 3.241 10 10 DGCE COc1ccc(C)cc1[C@@H]1CN(Cc2ccc(N)cc2)C(=O)O1 585893639 VOOXQEXLHGSDCS-KRWDZBQOSA-N 312.369 3.279 10 10 DGCE CCN[C@H]1CCN(c2ccc(OC(F)(F)F)cc2Cl)C1 704233094 AXVDCUZZBASHLF-VIFPVBQESA-N 308.731 3.427 10 10 DGCE C[C@@H](NCc1c(O)cccc1Br)c1cscn1 706804726 NZEKRPPALLDRLR-MRVPVSSYSA-N 313.220 3.462 10 10 DGCE c1cncc([C@@H](NCc2ccc(N3CCOCC3)cc2)C2CC2)c1 758633150 RYOUEJIZUFQNRX-FQEVSTJZSA-N 323.440 3.159 10 10 DGCE Cc1cncc(/C=C\C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 773995312 TZXWIXFNRWHVRL-ANOSYLROSA-N 309.413 3.347 10 10 DGCE COc1ccc(CNCc2ccccc2-c2ccnn2C)c(O)c1 816597461 SFWZGSRFLSKSKC-UHFFFAOYSA-N 323.396 3.091 10 10 DGCE CN(C)c1ccc(/C=C\CNc2cnn(CC(F)F)c2)cc1 835033817 XMXXTOBWQHBWET-ARJAWSKDSA-N 306.360 3.340 10 10 DGCE COCCc1ccnc(NC/C=C/c2ccc(N(C)C)cc2)c1 835053143 SZTGSWTUPRKLFT-SNAWJCMRSA-N 311.429 3.462 10 10 DGCE Cc1cc(O)c(CN2CCS[C@H]3COCC[C@H]32)c(Cl)c1 840923297 SALKZICBNCIJRA-HIFRSBDPSA-N 313.850 3.060 10 10 DGCE C/C(=C\c1ccccn1)C(=O)N(C)Cc1ccc(N(C)C)cc1 847304065 FVRBCFQAISUDAB-FYWRMAATSA-N 309.413 3.210 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@@H](C3CCC3)C3CC3)C2)cc1 850485950 DKXLPXHQKIKRST-APWZRJJASA-N 300.446 3.442 10 10 DGCE CC(C)[C@H](N)CCN[C@H](C)c1cccc(C(F)(F)F)c1O 854230433 PLUPLZUTYRUMIM-ZWNOBZJWSA-N 304.356 3.435 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)NC1CCC2(CC1)CC2(F)F 855960669 RKTPWCZMHZZTDG-DUXPYHPUSA-N 323.339 3.195 10 10 DGCE CN(C)c1ccc(CNC(=O)CSCC2C[C@H]3C[C@@H]3C2)cc1 863355227 NOTCYXAIVSFIMY-HOTGVXAUSA-N 318.486 3.148 10 10 DGCE O=C(NCc1cccc(Br)c1O)[C@@]12CCCC[C@H]1C2 867830999 MTWMZDCCLAYZKH-XHDPSFHLSA-N 324.218 3.351 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)c1nnc(C2CC2)o1 908045370 MNNBMKFASNUFRE-UHFFFAOYSA-N 315.373 3.095 10 10 DGCE C[C@@H](NCc1cccc2nc(O)oc12)c1ccc(N(C)C)cc1 922016152 ZLHARWCACCYZPZ-GFCCVEGCSA-N 311.385 3.450 10 10 DGCE CC[C@H](NCc1nc2c(s1)COCC2)c1ccc(F)cc1O 927119770 ZYBWOXPGJWDFAX-LBPRGKRZSA-N 322.405 3.301 10 10 DGCE CCC[C@@H](C)[C@H](CO)NCc1ccc(Br)cc1O 1118577316 MSRZMHAMUJBAES-MFKMUULPSA-N 316.239 3.041 10 10 DGCE Cc1ccc(O)c(CNC(=O)Cc2cc(F)c(C)cc2F)c1 1167293712 OZXPGUNHENXRDY-UHFFFAOYSA-N 305.324 3.146 10 10 DGCE COC[C@@H](C)[C@@H](C)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1352616037 WLSBHNUUIDOGRM-HZPDHXFCSA-N 318.461 3.164 10 10 DGCE C/C(=C\C(=O)N1CCCc2cc(F)c(F)cc21)c1cnccn1 1352650643 OVVQOOPYLPBDSK-YRNVUSSQSA-N 315.323 3.138 10 10 DGCE O=C(NCc1c(O)cccc1F)c1cc2c(s1)CCCC2 1456102813 UUWRRDDLGDWJOR-UHFFFAOYSA-N 305.374 3.402 10 10 DGCE Oc1cccc2c1CN(c1ccnc(Cc3ccccc3)n1)C2 1458543876 KRQUEIRUGZGJPH-UHFFFAOYSA-N 303.365 3.293 10 10 DGCE COc1ccc(CNC(=O)NC[C@H]2CCCC(C)(C)C2)c(O)c1 1564934398 YDQRSSMXZYQYCO-ZDUSSCGKSA-N 320.433 3.416 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C[C@H]2CCC[C@@H]21 1565461027 XSNINCFUWXJTHE-BPQIPLTHSA-N 315.461 3.473 10 10 DGCE O=C(Nc1ncc(C2CC2)[nH]1)c1cc2cc(O)c(O)cc2s1 1640304999 UVKXRIZFXXIWAB-UHFFFAOYSA-N 315.354 3.165 10 10 DGCE CC(C)CN1C(=O)/C(=C\c2ccccc2[N+](=O)[O-])SC1=S 1858588549 LQXYCQWSUMTKHD-KPKJPENVSA-N 322.411 3.452 10 10 DGCE CN[C@@H](c1ccccc1O)C1(N(C)C(=O)OC(C)(C)C)CC1 1928466920 GIYARXRAZGPBSQ-AWEZNQCLSA-N 306.406 3.052 10 10 DGCE CCC[C@H](CNC(=O)OC(C)(C)C)[C@H](N)c1ccccc1O 1928475187 VFMJQZRMOSSQDS-DOMZBBRYSA-N 308.422 3.333 10 10 DGCE CN[C@@H](C)c1ccc(N2CC(C)(F)C2)c(Br)c1 1944790194 MMAXZDWJWYTRGJ-VIFPVBQESA-N 301.203 3.278 10 10 DGCE OCc1ccc(N2CC(OCc3ccccc3)C2)cc1Cl 1955637637 BQBLAIGHWCGYKG-UHFFFAOYSA-N 303.789 3.238 10 10 DGCE C[C@@H](Nc1ccc(N)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1959362541 XAWJFYWYDYQNIS-CHWSQXEVSA-N 305.422 3.326 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](Nc3ccc(N)cc3)[C@@H]21 1959365688 ICMDARUUXDYNTQ-QLFBSQMISA-N 303.406 3.079 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CN(CCN=[N+]=[N-])CC2(CCC2)C1 1962302618 AVOIYQWBRFEAMI-LBPRGKRZSA-N 309.414 3.066 10 10 DGCE C[C@H]1CCN(c2ccc(N)cc2)C[C@@H]1CNC(=O)OC(C)(C)C 1977966992 AXOJSELFLIPNIM-KBPBESRZSA-N 319.449 3.256 10 10 DGCE COc1cccc(O)c1[C@@H](C)N[C@@H]1Cc2ccccc2[C@@H]1OC 2063554622 VFDGONKLMKAIKL-PEELUZDISA-N 313.397 3.364 10 10 DGCE Cc1nc(N[C@H](C)c2ccccc2O)ncc1Br 2072486057 YDFYQDGDGMJBKN-MRVPVSSYSA-N 308.179 3.426 10 10 DGCE Nc1ccc(OCCC(=O)NCc2cscc2Cl)cc1 2146174321 ADIZFLNOXVPSLP-UHFFFAOYSA-N 310.806 3.069 10 10 DGCE COc1ccc(N(C)[C@H]2CS[C@H](C(F)(F)F)C2)c(N)c1 2189465335 CVUNKNPAYBEORE-PELKAZGASA-N 306.353 3.150 10 10 DGCE Nc1ccc(CCOCc2ncsc2Br)cc1 2213763569 KKHFDGQEHVEQBH-UHFFFAOYSA-N 313.220 3.247 10 10 DGCE COc1ccc(N2CC[C@@H]2CNC(C)C)c(Br)c1 2221623057 DAVHVUDZQLUXAE-LLVKDONJSA-N 313.239 3.034 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@@H]1NC(=O)c1c(Cl)cncc1Cl 2227697821 UYWSIPQFKQBLOP-IUCAKERBSA-N 300.149 3.350 10 10 DGCE CCCN(C[C@H](C)O)c1ccc([C@H](C)O)cc1Br 2259660007 KSHIKWGVOHHDHO-QWRGUYRKSA-N 316.239 3.100 10 10 DGCE C[C@@H](Nc1cnccc1Br)c1ccc(O)cc1O 2264159291 FQWKDAORTLUBDO-MRVPVSSYSA-N 309.163 3.428 10 10 DGCE CCOCc1nc(CNCc2cnc(SC)s2)cs1 2269088203 PLTVSLHSULPXLW-UHFFFAOYSA-N 315.489 3.148 10 10 DGCE CCN1N=C(C)C(=Cc2ccc(OC(C)C)c(OC)c2)C1=O 2332125509 KNNCSBNSOOTTDX-UHFFFAOYSA-N 302.374 3.104 10 10 DGCE Cc1ccccc1C1=N/C(=C/c2ccc(N(C)C)cc2)C(=O)O1 190756 AAYQMMAZEMDYGI-SFQUDFHCSA-N 306.365 3.406 10 10 DGCE CSc1ccc(CN(C)C(=O)Cc2ccc(N)cc2)cc1 37798959 YHRUFUSTOLUKFB-UHFFFAOYSA-N 300.427 3.192 10 10 DGCE CCCN[C@]1(C(=O)OCC)CC[C@H](Sc2nccs2)C1 93851749 JHKRTKSAQHJXCB-SMDDNHRTSA-N 314.476 3.089 10 10 DGCE NC(=O)c1cc(NCc2c(O)cccc2Cl)c(F)cc1F 127255572 FVJFMXQGINDVKY-UHFFFAOYSA-N 312.703 3.035 10 10 DGCE CC[C@@H]1CO[C@H](C)CN1c1ccc(/C=C/C(=O)O)cc1Cl 164356507 WLVURXHAYIRNRA-BVKQBWKVSA-N 309.793 3.442 10 10 DGCE COc1cc(C)cc(CN2CCC(c3ccncc3)CC2)c1O 191295964 PIJAVLNZMJDORH-UHFFFAOYSA-N 312.413 3.484 10 10 DGCE CCN(CCO)c1ccc(CNCC(C)C)cc1OC(C)C 212129395 FDBZAEWKSXDCCN-UHFFFAOYSA-N 308.466 3.038 10 10 DGCE O=C(NCc1cccc(Br)c1O)C1[C@H]2CCCC[C@H]12 277565785 PYIPVPBYCKDEPG-QWRGUYRKSA-N 324.218 3.207 10 10 DGCE CCOc1cccc(CN2CC[C@H](Cc3ccncc3)C2)c1O 378627546 AZGVQRLRWHBVHH-MRXNPFEDSA-N 312.413 3.251 10 10 DGCE CCOc1cccc(CN[C@@H](C)COCc2ccccc2)c1O 390603921 ZULVKHKFNWTBCZ-HNNXBMFYSA-N 315.413 3.486 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)c2sccc2Br)C1 403724296 VRQCOLUIMLHAIC-ZETCQYMHSA-N 315.196 3.426 10 10 DGCE C[C@H](NCC(C)(C)C(=O)N1CCCC1)c1ccc(Cl)cc1O 528015580 KUKCPINWCZCFNO-LBPRGKRZSA-N 324.852 3.345 10 10 DGCE C[C@@H]1O[C@H](C)[C@H](NCc2ccc(Br)cc2O)[C@@H]1C 529671033 XGPNYOWGKGHVCW-QOBXEIRBSA-N 314.223 3.056 10 10 DGCE Cc1ccc(O)c(CN[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)c1 704617412 BRBFAOPUNSCINB-UKRRQHHQSA-N 320.433 3.188 10 10 DGCE Oc1ccc2ccccc2c1CN1CCOC[C@@H]1C(F)(F)F 739871763 WYPVVIVBNGHBII-OAHLLOKOSA-N 311.303 3.309 10 10 DGCE FC(F)Oc1ccc(N2CCC(Nc3cccnn3)CC2)cc1 742400895 LUBMEXXOQGFGRF-UHFFFAOYSA-N 320.343 3.159 10 10 DGCE CCCN(CCC)c1ccc(CN(C)CC(=O)NC2CC2)cc1 768202963 FBBDFRBBSOHMEL-UHFFFAOYSA-N 317.477 3.023 10 10 DGCE C[C@@H]1CCCCCN1Cc1ccc(N2CCOCC2)c(F)c1 769414520 CPNHMGJOVNYGOV-OAHLLOKOSA-N 306.425 3.427 10 10 DGCE Oc1cccc(Cl)c1CNc1cnn(-c2ccncc2)c1 777465254 HFRCRHPWVSKJBW-UHFFFAOYSA-N 300.749 3.238 10 10 DGCE COC(=O)[C@H]1CCCCCN1Cc1cc(Cl)cc(C)c1O 781526425 DCLWQXGDYVFANZ-CQSZACIVSA-N 311.809 3.272 10 10 DGCE Oc1ccc2ccncc2c1CN1CC[C@H](c2ccccn2)C1 799154872 JUMMJGNFJWQVAP-HNNXBMFYSA-N 305.381 3.325 10 10 DGCE COc1cc(O)c(CN[C@H]2C[C@@]2(F)c2ccccc2)cc1OC 822498242 WSXIQGNXQSXWSW-ZWKOTPCHSA-N 317.360 3.136 10 10 DGCE COc1c([N+](=O)[O-])ccc(CNCC(F)(F)C(C)(C)C)c1O 827722561 MYTBGYRUXTUCAK-UHFFFAOYSA-N 318.320 3.080 10 10 DGCE Cc1cccc(CN2C[C@@H](C)O[C@H](CC(F)(F)F)C2)c1O 827786748 LKMPLEFQFWTQSZ-DGCLKSJQSA-N 303.324 3.242 10 10 DGCE C[C@@H](NCc1cc(Br)ccc1O)[C@H]1CC1(F)F 840968838 VLCIHPDWHQJUQL-GMSGAONNSA-N 306.150 3.288 10 10 DGCE Cc1cc(O)c(CNC[C@@H]2NCCc3ccccc32)c(Cl)c1 841066744 GIZSJNMBOUZVSH-KRWDZBQOSA-N 316.832 3.331 10 10 DGCE COC(=O)c1ccc(O)c([C@H](C)NCC2CCC(F)CC2)c1 842927311 FHXZADAEUMZADR-DCBWTQNWSA-N 309.381 3.358 10 10 DGCE CC(C)CN(C)CCCN[C@H](C)c1cc(F)cc(F)c1O 846178472 WDISTLWAHGTIJE-GFCCVEGCSA-N 300.393 3.299 10 10 DGCE C[C@H](O)[C@H](NCc1c(O)ccc(Cl)c1F)c1ccccc1 850421572 YTUDSRGPXOKKBV-QFYYESIMSA-N 309.768 3.396 10 10 DGCE CC1CCN(c2ccc(CNc3nccnc3F)cc2)CC1 858403279 ZWUJBSKEAOUCJR-UHFFFAOYSA-N 300.381 3.464 10 10 DGCE Cc1noc(C2CC2)c1C(=O)NCc1ccc2cccnc2c1O 862027003 GRMDHDQFWQSPGK-UHFFFAOYSA-N 323.352 3.044 10 10 DGCE CN(Cc1ccc(N2CCOCC2)cc1)C[C@@]1(C)CCCS1 862214501 SXDMURZJTVRUNE-GOSISDBHSA-N 320.502 3.241 10 10 DGCE CC(C)(O)C[C@H](O)CNc1ccc(Nc2ccccc2)cc1 872210258 SOJCAOOLQYHREM-KRWDZBQOSA-N 300.402 3.364 10 10 DGCE FCCOc1ccccc1NCc1ncc(Br)[nH]1 922155443 ZWXVUGWFTHDEMM-UHFFFAOYSA-N 314.158 3.133 10 10 DGCE C[C@H]1CC[C@H](CN)N(Cc2cc(Cl)cc(Cl)c2O)C1 1205804632 NZPLBTOGHMRPNN-JOYOIKCWSA-N 303.233 3.258 10 10 DGCE CC[C@@H](CNC(=O)C(C)(C)C)NCc1ccc(OC)c(C)c1 1269497476 GPSIHXUYSSDTCT-HNNXBMFYSA-N 306.450 3.034 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H]2c2ccc[nH]2)cc1 1457525187 LADXBTWOUQVFBF-AWEZNQCLSA-N 311.345 3.154 10 10 DGCE COc1ccc(N(C)CCOCCOc2ccccc2)cc1 1559969497 HDQKOHJYEVRNNR-UHFFFAOYSA-N 301.386 3.227 10 10 DGCE CCc1ccc(O)c(C(=O)NCc2ccc3c(c2)CCCN3C)c1 1597849511 VNHIWXIXMYZHAT-UHFFFAOYSA-N 324.424 3.267 10 10 DGCE CC(=O)c1c2c(n3cc(C)ccc13)C(=O)c1ccccc1C2=O 1615951401 NTLACVGIZIWMLX-UHFFFAOYSA-N 303.317 3.226 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H](O)C1CCC1 1626544239 YACVWRSWEFUMBR-OAHLLOKOSA-N 318.442 3.046 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)c1cc(C=O)[nH]c1C 1634012429 PGTZDGPZSZBDAW-UHFFFAOYSA-N 314.385 3.284 10 10 DGCE CC(=O)Nc1cc(C(=O)N[C@@H](C)c2ccccc2O)ccc1C 1642827495 JMFXYMYHFIBHDU-LBPRGKRZSA-N 312.369 3.150 10 10 DGCE Cc1ccc(C(=O)NC2(c3ccccc3Cl)CC2)c(O)c1O 1643463275 QDTCEFKHKFPQTI-UHFFFAOYSA-N 317.772 3.479 10 10 DGCE Cc1ccc(C(=O)NC[C@H]2C[C@@H]2Cc2ccccc2)c(O)c1O 1648797934 KWMUCMTUTDUORY-LSDHHAIUSA-N 311.381 3.015 10 10 DGCE CSc1nc2ncnc(NCc3cc(C)ccc3O)c2s1 1651258121 AOLZZKJENOQADT-UHFFFAOYSA-N 318.427 3.434 10 10 DGCE COC[C@H](CNCc1c(O)cccc1Br)C(C)C 1658664941 YTCIUNOPHXQSCL-NSHDSACASA-N 316.239 3.163 10 10 DGCE CCc1nnc(N(C)Cc2ccccc2O)n1CCC1(C)CC1 1744549501 TUEQUXPPKXXSHQ-UHFFFAOYSA-N 314.433 3.373 10 10 DGCE CCOC(=O)[C@@H]1CCCN(/N=N/c2cccc(C(C)=O)c2)C1 1860483344 ONJDPROSXBDWSG-IAFNSTAXSA-N 303.362 3.163 10 10 DGCE CCC1=NN(CC(C)C)C(=O)/C1=C/c1cccc(OC)c1OC 1865672421 CBOLWRLLMPRGEL-GXDHUFHOSA-N 316.401 3.351 10 10 DGCE Cc1ccc2c(O)cc(C(=O)Nc3ccc(N)cc3)nc2c1C 1866489744 UPTCLOFRAZOZHG-UHFFFAOYSA-N 307.353 3.392 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)cc1 1909109757 UTKMLISZMYCNEH-LKUPVBHCSA-N 322.452 3.451 10 10 DGCE Nc1ccc(CNC[C@]23CC[C@H]2CN(Cc2ccccc2)C3)cc1 1911007365 UPDFSKFHCRCPSJ-FPOVZHCZSA-N 321.468 3.271 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@]1(C)[C@@H](N)c1ccccc1O 1928472830 UWYLSKIXMBGZSB-YOEHRIQHSA-N 306.406 3.182 10 10 DGCE C[C@H](N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1O 1931310415 KNKWDCYQPUPGOO-RWMBFGLXSA-N 306.406 3.099 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[C@H](N)c2ccccc2O)C1 1936967292 GDVWPDKMWXGSFK-GUTXKFCHSA-N 320.433 3.476 10 10 DGCE CC(C)(C)OC(=O)NCC1(C[C@@H](N)c2ccccc2O)CCC1 1936985676 YFZMAUJBHPHHLV-CQSZACIVSA-N 320.433 3.477 10 10 DGCE C[C@H](NCc1cccc(Br)c1O)[C@@H]1CCSC1 1942256179 YMHJZDQZYDOQMV-GXSJLCMTSA-N 316.264 3.386 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H]2[C@H]1[C@@H]2Nc1ccc(N)cc1 1959365687 ICMDARUUXDYNTQ-KFWWJZLASA-N 303.406 3.079 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@](N)(c2ccccc2O)C1 1976462083 KNITYDMILSGGFN-UGSOOPFHSA-N 320.433 3.213 10 10 DGCE CC1(C)CN(Cc2ccccc2)CCN1c1ccc(CO)cc1 1976512199 IGYNDFZBGXJTCL-UHFFFAOYSA-N 310.441 3.280 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](Nc3c(N)cccc3F)[C@@H]21 1977677495 CLTWGHKSNGCZMY-RIEGTJTDSA-N 321.396 3.218 10 10 DGCE CC(C)[C@](N)(CNC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1977944242 CKTMQCJVXQYNDE-GOSISDBHSA-N 321.465 3.087 10 10 DGCE CC(C)(C)OC(=O)NC1(C2([C@H](N)c3ccccc3O)CC2)CC1 1981384805 IBPWAAPPONKPNW-CQSZACIVSA-N 318.417 3.230 10 10 DGCE Oc1cc(Br)ccc1CN[C@H]1C[C@@H]1C(F)(F)F 1998619598 WVGAPTJMIROPFJ-IUCAKERBSA-N 310.113 3.195 10 10 DGCE COc1cccc(O)c1[C@H](C)n1nc(C2CCCC2)cc1N 2070201871 SCFPBNOPVDORLD-NSHDSACASA-N 301.390 3.446 10 10 DGCE Cc1cccc(CNc2ncc(N)cc2Br)c1O 2084063547 KAOJGHDRRKNBDG-UHFFFAOYSA-N 308.179 3.052 10 10 DGCE CCN(Cc1ccncc1Br)c1ccc(CN)cc1 2087497238 QJENJCHSIZWLTG-UHFFFAOYSA-N 320.234 3.329 10 10 DGCE Nc1cccc(Br)c1N[C@@H]1CCC[C@@]23C[C@@H](CO2)[C@H]13 2088065110 DOUALGCNNYSPGF-FWHFQCOYSA-N 323.234 3.401 10 10 DGCE CN[C@H](C)c1ccc(N(C)Cc2cocn2)cc1Br 2104098050 MJURMEBHBFVJKI-SNVBAGLBSA-N 324.222 3.354 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)c2ccnc(Cl)c2Cl)C1 2120742424 LBDKDMZQEVYCMP-SSDOTTSWSA-N 300.149 3.303 10 10 DGCE COCCNCc1ccc(OCCC(F)(F)Cl)c(C)c1 2155019860 XSQVQNCCOOZPLJ-UHFFFAOYSA-N 307.768 3.332 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@H]1NC(=O)c1ccsc1Br 2213587753 KPLMNCPMXYZHCH-SFYZADRCSA-N 315.196 3.472 10 10 DGCE COc1ccc(N2CC[C@H]2CNC(C)C)c(Br)c1 2221623062 DAVHVUDZQLUXAE-NSHDSACASA-N 313.239 3.034 10 10 DGCE COc1ccc(N(C)Cc2cc(Cl)ns2)c(C(=O)O)c1 2235954400 CBESRZNXQYRIFC-UHFFFAOYSA-N 312.778 3.140 10 10 DGCE O=C(CSCC1(C(F)(F)F)CC1)c1ccc(O)c(O)c1 2281248200 UOIMGPQGAIKXLR-UHFFFAOYSA-N 306.305 3.356 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)N1CC[C@H](c2ccccc2)C1 2307986849 IEFPCAXRDKFKFM-INIZCTEOSA-N 309.365 3.127 10 10 DGCE Cc1ncsc1C=CC(=O)N1CCOc2cc(F)ccc21 2310093134 NPISTVSKKAVDFO-UHFFFAOYSA-N 304.346 3.029 10 10 DGCE CCCN1N=C(c2ccc(OC)cc2)C(=Cc2ccc[nH]2)C1=O 2332143358 NKYXJXGCIMWKBA-UHFFFAOYSA-N 309.369 3.063 10 10 DGCE O=C(O)c1ccccc1NCc1cccc(Br)c1O 48795524 MCMKLTFXAIUQKG-UHFFFAOYSA-N 322.158 3.465 10 10 DGCE Oc1ccc2ccccc2c1CNC[C@H]1CSCCS1 125205111 UDJNZQOFIRWNKE-ZDUSSCGKSA-N 305.468 3.484 10 10 DGCE CN(C)C[C@H]1CCCN1Cc1cc(Cl)cc(Cl)c1O 133846000 DBAUTOJJDSHYCY-GFCCVEGCSA-N 303.233 3.225 10 10 DGCE O=C(/C=C/c1ccc(Cl)nc1)N1CCOc2ccccc21 152376448 OONPIIFKSPOZTG-SOFGYWHQSA-N 300.745 3.174 10 10 DGCE CCOC(=O)[C@@H](NCCCN=[N+]=[N-])c1ccc(F)c(Cl)c1 163862439 REYJPXHGLLWCCN-LBPRGKRZSA-N 314.748 3.373 10 10 DGCE CC[C@H]1COCCN1c1ccc(CNC)c(C(F)(F)F)c1 167361110 VZURGGCDXZWTGR-LBPRGKRZSA-N 302.340 3.040 10 10 DGCE CCOc1ccc(O)c(CN[C@@H](COC)c2ccc(CC)o2)c1 174476113 ZMHFXTXYDUKKNC-INIZCTEOSA-N 319.401 3.424 10 10 DGCE COc1ccccc1/C=C\C(=O)NCc1ccc(N(C)C)cc1 212374219 MRNUHCPMGAZADZ-RAXLEYEMSA-N 310.397 3.091 10 10 DGCE CC[S@](=O)[C@@H]1CCC[C@H](N[C@H](C)c2ccc(N(C)C)cc2)C1 246960072 HVINVHLMRQQWPS-YQXWUXMVSA-N 322.518 3.483 10 10 DGCE N[C@@H]1C(=O)Nc2cc(N3CC[C@H]4CCCC[C@H]43)c(Cl)cc21 250780939 RUOACPLIGYGGKO-PKPZWWHKSA-N 305.809 3.061 10 10 DGCE Cc1ccnc(C2CCN(Cc3cc(C)c(C)cc3O)CC2)n1 371889346 XNGVUASNRALHCV-UHFFFAOYSA-N 311.429 3.487 10 10 DGCE COc1c([N+](=O)[O-])ccc(CNC/C=C\c2ccccc2)c1O 775016791 WRPZUUUOPDKJOG-YVMONPNESA-N 314.341 3.112 10 10 DGCE COCC[C@@H](COC)N[C@H](C)c1cccc(C(F)(F)F)c1O 815628382 YTFNWZYARAJNES-MNOVXSKESA-N 321.339 3.113 10 10 DGCE CN(C)c1ccc(/C=C\CNCc2cccnc2N(C)C)cc1 835035141 HMCUKKQADYVLEJ-ALCCZGGFSA-N 310.445 3.017 10 10 DGCE Cc1cc(O)c(CN[C@@H]2CCN(c3ccccn3)C2)c(Cl)c1 840905704 BWIMTJCSBRFPEY-CYBMUJFWSA-N 317.820 3.118 10 10 DGCE Nc1ccc(Cc2noc(-c3cc4c(cc3O)CCCC4)n2)cc1 843158439 CTCWTRXKPHTOQN-UHFFFAOYSA-N 321.380 3.494 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]12 852564786 SFTSZFFAZYCPDZ-SOLBZPMBSA-N 315.461 3.330 10 10 DGCE COc1cc(O)c(CN2CCC(C3CCC3)CC2)cc1OC 853536235 QKJMPBKWPUYBKB-UHFFFAOYSA-N 305.418 3.422 10 10 DGCE COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CCC3(C)C)C2)cc1 854980746 GLUCSWDBFSUIRS-PBHICJAKSA-N 316.445 3.074 10 10 DGCE Cn1cc(C(F)F)c(CNCc2c(O)cccc2Cl)n1 865808715 BFBKCFIJCRHRGC-UHFFFAOYSA-N 301.724 3.007 10 10 DGCE CO[C@]1(C(F)(F)F)CCN(Cc2c(O)cccc2Cl)C1 895577755 SNJLFLYMJVRDMZ-GFCCVEGCSA-N 309.715 3.199 10 10 DGCE COC[C@H](N[C@H]1C[C@@H](C)c2c(C)ccc(O)c21)C1CCOCC1 1346869376 QYXJJYZIGCBSJN-KBMXLJTQSA-N 319.445 3.280 10 10 DGCE C[C@H](NC(=O)c1cc(-c2ccccc2)nn1C)c1ccccc1O 1471194276 HDIOQWQCOBMDJC-ZDUSSCGKSA-N 321.380 3.284 10 10 DGCE Cc1nnc(N(C)Cc2ccccc2O)n1CCCC(C)C 1511779855 QRZFTPTZBAMTOV-UHFFFAOYSA-N 302.422 3.365 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 1540408248 BMBIRZDGASXEAO-UHFFFAOYSA-N 308.341 3.442 10 10 DGCE O=C(NCc1ccc(N2CCCC2)cc1)c1onc2ccccc12 1595435559 GFALYCAQPUEUNV-UHFFFAOYSA-N 321.380 3.358 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2C[C@H]1CCCC(C)(C)O1 1642567455 PUPOUKKXDPGONH-OAHLLOKOSA-N 304.434 3.299 10 10 DGCE CC(=O)c1cc(F)cc(CN[C@H](C)c2ncccc2C)c1O 1648602152 XTQBAHNFOCGASM-LLVKDONJSA-N 302.349 3.288 10 10 DGCE COc1ccc2c(CC(=O)N3Cc4cccc(O)c4C3)coc2c1 1650672452 LKPCHPIPOVIQRJ-UHFFFAOYSA-N 323.348 3.232 10 10 DGCE CCN(C)c1ccc(CN2CCC[C@@H](CCC(=O)OC)C2)cc1 1654691879 BQJVOZAQPQHKFB-INIZCTEOSA-N 318.461 3.308 10 10 DGCE CC(C)O[C@H]1C[C@@H](NC(=O)N2Cc3cccc(O)c3C2)C1(C)C 1679868366 DFVUNXFJYWXEEE-CVEARBPZSA-N 318.417 3.010 10 10 DGCE O=C(c1ccco1)N1CCN(/N=N/c2ccc(Cl)cc2)CC1 1860486403 BKOCYDSDAKPZLO-ISLYRVAYSA-N 318.764 3.390 10 10 DGCE COCCN(CCOC)/N=N/c1ccc(OCC(C)C)cc1 1860487342 UNVGCSZNTAXALX-ISLYRVAYSA-N 309.410 3.315 10 10 DGCE CC1=NN(Cc2ccccc2Cl)C(=O)/C1=C/c1cccn1C 1865670585 HOABDFJCABLRLP-XNTDXEJSSA-N 313.788 3.480 10 10 DGCE CC(=O)c1ccc(F)c(C(=O)Nc2cccc(N(C)C)c2)c1 1866144002 QIEOFJPYUGGRJN-UHFFFAOYSA-N 300.333 3.347 10 10 DGCE CN[C@H](c1ccccc1O)C1CC(CNC(=O)OC(C)(C)C)C1 1915920767 QWOJKJJRPXWASE-ZUEPYMLJSA-N 320.433 3.204 10 10 DGCE CN[C@@H](c1ccccc1O)[C@@H]1CCCN1C(=O)OC(C)(C)C 1928475347 WYYOLNRUUGEMSV-ZFWWWQNUSA-N 306.406 3.052 10 10 DGCE C[C@@H]1CCS[C@H]1CNCc1cccc(Br)c1O 1945610635 SYLPXZLSLUXASW-SKDRFNHKSA-N 316.264 3.386 10 10 DGCE Oc1ccc(Br)cc1CN[C@@H]1CC[C@H]2[C@H]1C2(F)F 1967819836 MPGXVXZBADHUTO-HOSYDEDBSA-N 318.161 3.288 10 10 DGCE COc1ccc(Br)c(CN[C@@]2(C)C[C@@H]2C)c1O 1973063759 HIFMYCAPULHKJM-SDBXPKJASA-N 300.196 3.051 10 10 DGCE CN(C(=O)OC(C)(C)C)C1CCN(Cc2ccc(N)cc2)CC1 1977926489 PQBPGNVBDNJTFZ-UHFFFAOYSA-N 319.449 3.100 10 10 DGCE C[C@@H](NCc1ccccc1O)[C@@]1(C)CCN1C(=O)OC(C)(C)C 1978219543 MZAAZUQPUXXEMO-FZKQIMNGSA-N 320.433 3.270 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2Nc1ccccc1N 1978676910 NFFOOSQEUKCZFS-GUYJKWIASA-N 317.433 3.373 10 10 DGCE C[C@H]1CCN(Cc2ccccc2)CCN1c1ccc(CN)cc1 1990950579 BBDGBYPNSVORBY-KRWDZBQOSA-N 309.457 3.246 10 10 DGCE CC(C)(C)OC(=O)NC1CC([C@H](F)[C@@H](N)c2ccccc2O)C1 1992608173 LOCCVPQTFAVTJM-HBGGEXNNSA-N 324.396 3.033 10 10 DGCE C[C@@]1(C(F)F)C[C@@H]1NCc1ccc(Br)cc1O 2008238037 QCDVHXBLYWILNS-CMPLNLGQSA-N 306.150 3.288 10 10 DGCE Cc1ncc(OCCc2ccc(N)cc2)cc1Br 2031603176 XCRCVZHQMMTIRS-UHFFFAOYSA-N 307.191 3.356 10 10 DGCE C[C@@H]1CN(c2cc(Br)c(CN)cc2F)CC1(F)F 2040578559 ZZDLUGGNNGLKCV-SSDOTTSWSA-N 323.156 3.138 10 10 DGCE CN1CCc2cc([C@@H](O)c3ccc(Br)o3)ccc21 2044711752 WHYLXHZFLYOZEZ-CQSZACIVSA-N 308.175 3.116 10 10 DGCE C[C@@H](F)[C@@H]1CCCN1c1cc(Br)c(CN)cc1F 2060888137 MCQUOLYNUPQPKK-PELKAZGASA-N 319.193 3.374 10 10 DGCE OCc1cc(C2CCCC2)nn1Cc1cccc(Cl)c1O 2070201244 IDGYNRUBYTZYAF-UHFFFAOYSA-N 306.793 3.440 10 10 DGCE NCC1C[C@@H]2CC[C@H](C1)N2Cc1cc(Cl)cc(Cl)c1O 2159206825 RPRWHDFNNGDNBE-MVCUKOFQSA-N 315.244 3.401 10 10 DGCE CCOC(=O)C1CCC(Sc2ncc([C@@H](C)O)s2)CC1 2159805978 PXFRKLNASIWEHY-KPPDAEKUSA-N 315.460 3.410 10 10 DGCE CN(Cc1ncoc1C(F)F)c1ccc(CN)c(Cl)c1 2160354061 CVLOUWLPPMXKKC-UHFFFAOYSA-N 301.724 3.361 10 10 DGCE CN(C)c1ccc([C@H](NN)c2ncc(Cl)cc2Cl)cc1 2163141779 YDYHHTGTFVORFE-ZDUSSCGKSA-N 311.216 3.007 10 10 DGCE CN(C[C@H]1COC(C)(C)C1)c1cc(Cl)c(CN)cc1F 2177387965 KKRGKLLYELTAOA-JTQLQIEISA-N 300.805 3.189 10 10 DGCE O=C(O)C=Cc1ccc(N2C[C@@H](F)C[C@H](F)C2)c(Cl)c1 2182601040 WPLPDYVQZMMYMN-QWRGUYRKSA-N 301.720 3.324 10 10 DGCE CCC[C@H](CNCc1c(C)cccc1O)NC(=O)OC(C)(C)C 2210467392 PVFHJNGOAWKALW-CQSZACIVSA-N 322.449 3.484 10 10 DGCE COc1ccc(Br)c(CN2C[C@H](C)C[C@H]2C)c1O 2220488553 CJONWSNCWHMIRB-NXEZZACHSA-N 314.223 3.394 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@@H]1NC(=O)c1cnc(Cl)c(Cl)c1 2225794556 GWVGZYKUIIDECD-IUCAKERBSA-N 300.149 3.350 10 10 DGCE CSc1ncc(CNc2nc(C)c(CO)cc2Cl)s1 2269095325 MMLGJPCHRHXFGM-UHFFFAOYSA-N 315.851 3.326 10 10 DGCE CN(C)c1ccc(CN=c2[nH]c(Cl)nc(Cl)c2F)cc1 2280419057 YWJGFHDSQSGQHB-UHFFFAOYSA-N 315.179 3.023 10 10 DGCE CSc1ncc(CNCc2cccc(OC(F)F)n2)s1 2284495894 AHFFPJUSEMWLHZ-UHFFFAOYSA-N 317.386 3.151 10 10 DGCE Cc1cc(Br)cc(CN(CCF)CCF)c1O 2301647356 WZUBJGSTONXVEH-UHFFFAOYSA-N 308.166 3.204 10 10 DGCE O=C1N=C(N2CCCCC2)SC1=Cc1cc(F)cc(F)c1 2303968828 DXRNBAJZEYERQV-UHFFFAOYSA-N 308.353 3.421 10 10 DGCE Cc1ccc(CN2CCCOC[C@H]2C)c(O)c1Br 2327799173 RFOFYWBWKCPJPH-LLVKDONJSA-N 314.223 3.074 10 10 DGCE CN1C(=O)COc2cc(N=NN(C)C3CCCCC3)ccc21 2330245884 JFAJAMKPEZOSPW-UHFFFAOYSA-N 302.378 3.305 10 10 DGCE Cc1cnc(NCc2ccc(C)c(Br)c2O)c(N)c1 2352620955 WMNSVGFACIPIGU-UHFFFAOYSA-N 322.206 3.361 10 10 DGCE CC(C)NCc1ccc(N2CCOC[C@@H](F)C2)c(Cl)c1 2361809699 ZFIJGVSAQUKHFB-ZDUSSCGKSA-N 300.805 3.013 10 10 DGCE C[C@@H]1CCCN1C(=O)c1cccc2c1C(=O)c1ccccc1C2=O 175378671 UXLHBPLYLCREKT-GFCCVEGCSA-N 319.360 3.087 10 10 DGCE Cc1nn(CCCc2ccc(N)cc2)c(C)c1Br 122706079 RBDVAWMTVGNVBG-UHFFFAOYSA-N 308.223 3.477 10 10 DGCE Oc1cccc(Cl)c1CN1CCN(c2ccccc2)CC1 131640773 CFAVWOXLDUIOHG-UHFFFAOYSA-N 302.805 3.368 10 10 DGCE Nc1ccc(OCCC(=O)Nc2cccc(Cl)c2F)cc1 40302164 LZQLSFUUFVCUDK-UHFFFAOYSA-N 308.740 3.469 10 10 DGCE CN[C@H]1C(=O)Nc2cc(N(Cc3ccccc3)C3CC3)ccc21 383565456 KZVGCPZFLHRALO-GOSISDBHSA-N 307.397 3.068 10 10 DGCE CN[C@@H]1C(=O)Nc2cc(N3C[C@@H](C)C[C@@H](C)C3)c(Cl)cc21 92749959 NNIGANHETFAOOG-WMFXKJRFSA-N 307.825 3.035 10 10 DGCE Cc1cnc(CNC(=S)Nc2cccc(N(C)C)c2)c(C)c1 243980741 SCZIYKRXAQFXBJ-UHFFFAOYSA-N 314.458 3.251 10 10 DGCE Nc1ncc(F)cc1OCc1ccc(Br)s1 723400883 IDRZREPPIGIVGF-UHFFFAOYSA-N 303.156 3.206 10 10 DGCE C=Cn1cc(/C=C2\CCn3c2nc2sc(C)c(C)c2c3=O)cn1 588599383 SMQGGPRVVLFUNI-NTUHNPAUSA-N 324.409 3.316 10 10 DGCE CN(C)c1ccc(/C=C\CN2CC[C@@]3(CCCOC3)C2)cc1 835049017 DLKVQZJVBHRLIL-UABKOXTMSA-N 300.446 3.268 10 10 DGCE C[C@H](NC/C=C/c1ccc(N(C)C)cc1)C(=O)OC1CCCC1 835049634 HFUOSEPUBSEHNX-LFAOLKIESA-N 316.445 3.230 10 10 DGCE CC(C)C[C@@H](CCO)CNC/C=C/c1ccc(N(C)C)cc1 835043632 TYANSMARVPZPGN-DUMMIQTOSA-N 304.478 3.400 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@@H]1CCCc2n[nH]cc21 840893780 LSIXVXPUXLNSJB-RDTXWAMCSA-N 312.461 3.382 10 10 DGCE CC1=CC[C@](C)(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)CC1 852791546 JBCABPGSXSKPGQ-HKUYNNGSSA-N 315.461 3.005 10 10 DGCE C[C@H](O)[C@@H](NCc1cc(F)c(N(C)C)cc1F)c1ccccc1 858196410 ONZMSEZBEAPGAT-KPZWWZAWSA-N 320.383 3.243 10 10 DGCE COCC1CCC(N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1 850346757 JAPIZVILJCUSMH-JCYILVPMSA-N 318.461 3.069 10 10 DGCE Clc1cc(OC[C@@H]2COCCO2)ccc1N1CCCCC1 853726513 XBCPYVKDNFEWQZ-AWEZNQCLSA-N 311.809 3.125 10 10 DGCE CCOCc1cc(CN[C@H](CO)c2ccsc2)ccc1OC 769931900 FPPSUPUSKOSYJS-MRXNPFEDSA-N 321.442 3.116 10 10 DGCE CC(=O)C(=O)COC(=O)[C@@H]1CCCC[C@H]1c1cccc(Cl)c1 870025255 OSHZVUUOACPDNY-LSDHHAIUSA-N 322.788 3.315 10 10 DGCE CN(C)c1ccc(CN(C(=O)Cc2ccccc2)C2CC2)cc1 1115967146 OKFHPFWGDVMACP-UHFFFAOYSA-N 308.425 3.486 10 10 DGCE O=C(N1Cc2cccc(O)c2C1)C1(c2cccnc2)CCCC1 871204940 LQWVGMCUHBQOMK-UHFFFAOYSA-N 308.381 3.141 10 10 DGCE CC(C)(C)Oc1cccc(C(=O)N2Cc3cccc(O)c3C2)n1 871207027 IPNXDAZODIYNLX-UHFFFAOYSA-N 312.369 3.121 10 10 DGCE C[C@H]1CC[C@@H](C)N(Cc2ccc(N3CCN(C)CC3)cc2)C1 775702750 WLTHQWKBLWLTPL-DLBZAZTESA-N 301.478 3.059 10 10 DGCE O=C1/C(=C/c2cncnc2)SC(=S)N1c1ccc(F)cc1 781106420 LLSCMQFFHPFZPY-XGICHPGQSA-N 317.370 3.022 10 10 DGCE COc1ccsc1CN(C)c1cc(OC)c(OC)c(OC)c1 780773964 FPMAACLQRVJKGW-UHFFFAOYSA-N 323.414 3.419 10 10 DGCE CN(CCCN=[N+]=[N-])[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 1962305159 QOVHTIQRLMBJTN-QWHCGFSZSA-N 311.430 3.455 10 10 DGCE CSC1CC(N(C)c2ccc(CN)c(Br)c2)C1 707134877 BVFXRNKKSXLHFE-UHFFFAOYSA-N 315.280 3.238 10 10 DGCE CN(C[C@@H]1C[C@H]1C1CC1)c1ccc(CO)cc1Br 698331887 BAYPFPCJANDBHV-STQMWFEESA-N 310.235 3.424 10 10 DGCE CC[C@@H]1[C@H]2CNC[C@@H]2CN1Cc1cc(Cl)cc(Cl)c1O 90328779 SLWMVUAJCISCEV-SCDSUCTJSA-N 315.244 3.129 10 10 DGCE CC(C)(C)OC(=O)NC1(CNCc2c(O)cccc2F)CCC1 1964053388 FRPMOSVQSWUPIK-UHFFFAOYSA-N 324.396 3.068 10 10 DGCE Cc1ccc(O)c(CNS(=O)(=O)c2cccc(C(C)C)c2)c1 1261796989 SEGGKWBKFQGCLJ-UHFFFAOYSA-N 319.426 3.303 10 10 DGCE CC[C@@H]1CCCCCN1CC(=O)NCc1ccc(N(C)C)cc1 1459531736 MDUTVUNROMXPQN-QGZVFWFLSA-N 317.477 3.023 10 10 DGCE Cc1cnc(Cl)cc1C(=O)Nc1c(Cl)ccc2nonc12 1525080411 BNQRHZDFHSQWMZ-UHFFFAOYSA-N 323.139 3.485 10 10 DGCE CCC(C)(C)[C@H](O)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1628954953 UZCXIPPWXGOIFZ-QGZVFWFLSA-N 318.461 3.042 10 10 DGCE COc1cccc(CNC(=O)/C=C(\C)c2cccs2)c1O 1622779517 QJYIVGIFDKLTGP-PKNBQFBNSA-N 303.383 3.182 10 10 DGCE COc1ccc(CNC(=O)c2ccccc2-n2cccc2)c(O)c1 1635042763 RWWJXLXWYDFOFT-UHFFFAOYSA-N 322.364 3.122 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)c1c(N)ccc(F)c1C 1565701654 JKLAAUQGHNSYPE-UHFFFAOYSA-N 315.392 3.021 10 10 DGCE CCCC[C@@H](O)CCC(=O)NCc1c(O)ccc2ccccc12 1645442901 DIPNEFJSNBDIOO-OAHLLOKOSA-N 315.413 3.493 10 10 DGCE CC(=O)c1cc(F)cc(CN[C@@H]2C[C@H](OC(C)C)C2(C)C)c1O 1645713733 ORVHAUJCPOEJTK-CVEARBPZSA-N 323.408 3.416 10 10 DGCE COC(=O)c1ccc([N+](=O)[O-])c(NCc2cc(C)ccc2O)c1 1640178780 XBLOAIXDCTYZOH-UHFFFAOYSA-N 316.313 3.008 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2CCN(C)c1ccccc1 1645147941 NROVAGFFNWTIQX-UHFFFAOYSA-N 311.429 3.088 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2)C1 1912204800 YIZAZDDSPDXZTB-JTQLQIEISA-N 314.798 3.051 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]([C@H](N)c1ccccc1O)C(C)(C)C 1928468888 BGFLCXVBLAERCQ-KGLIPLIRSA-N 308.422 3.331 10 10 DGCE C[C@H](N[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1O 1936011559 YJPYUWWVWUCLMC-MELADBBJSA-N 320.433 3.346 10 10 DGCE CNCc1ccc(N2CCS[C@@H](C)C2)c(Br)c1 234371231 CBVNYFXYULXGNS-JTQLQIEISA-N 315.280 3.110 10 10 DGCE Nc1cccc(C(=O)O)c1N[C@H]1CC[C@@H]1OCc1ccccc1 1939578445 MSTCVVANUNQUOZ-HOTGVXAUSA-N 312.369 3.127 10 10 DGCE CCN[C@H](C)c1ccc(N2C[C@H](OC)[C@H](F)C2)c(Cl)c1 2146470585 WEUJKRHMBGRMKT-YVLXSGLVSA-N 300.805 3.184 10 10 DGCE CC[C@H](CNC(=O)OC(C)(C)C)[C@H](N)c1ccc(N(C)C)cc1 1977944476 GMWYBROUQIHMJZ-CJNGLKHVSA-N 321.465 3.303 10 10 DGCE CCOc1cccc(CNCC/C=C/Br)c1O 2004059852 SDLZCLJAMFUEAU-FPYGCLRLSA-N 300.196 3.179 10 10 DGCE Nc1ccc(CCOCc2sncc2Br)cc1 2007427041 QSODHZPMXZTRTO-UHFFFAOYSA-N 313.220 3.247 10 10 DGCE OCc1ccc(N2CC([C@H]3CC3(F)F)C2)c(Br)c1 2036010100 KZNSNXGEASIREK-SNVBAGLBSA-N 318.161 3.033 10 10 DGCE Oc1cccc(CNCCc2ccc(Br)cc2)c1O 311656946 DXGPNDXVUONGLQ-UHFFFAOYSA-N 322.202 3.193 10 10 DGCE Cc1cc(C(=O)OC(C)(C)C)n(Cc2cccc(F)c2O)n1 2070004050 PTSKOKSLEDJALA-UHFFFAOYSA-N 306.337 3.040 10 10 DGCE CCC[C@@H]1C[C@H](NCc2cccc(Br)c2O)CO1 2065790784 KDXPHXCNYAISSO-NWDGAFQWSA-N 314.223 3.202 10 10 DGCE COc1ccc(N2CCC(=O)[C@@H](C)[C@H]2C)c(Br)c1 2221625251 LCIRPTBZGBWIAM-VHSXEESVSA-N 312.207 3.262 10 10 DGCE CSc1ncc(CN2C[C@@H](C3CC3)NC[C@@H]2C(C)C)s1 2284678431 WGCVRECZNWGSOF-UONOGXRCSA-N 311.520 3.073 10 10 DGCE COCCCCCN(C)Cc1cc(Br)ccc1O 2319913908 QKNASOBVTJAUGV-UHFFFAOYSA-N 316.239 3.403 10 10 DGCE CN1C(=O)COc2cc(N=NN3CCc4ccccc4C3)ccc21 2330245840 AIJLPLZYTCJENS-UHFFFAOYSA-N 322.368 3.099 10 10 DGCE COc1cccc([C@@H]2C[C@@H]2C(=O)N(C)Cc2ccccc2O)c1 106907993 QSIPNDKPQZWGEQ-IRXDYDNUSA-N 311.381 3.163 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)CC1CC1 112752267 UTRUUVOXZOEBHR-AWEZNQCLSA-N 303.450 3.473 10 10 DGCE Cc1ccc(C(=O)N2CCC[C@]3(CC=CCC3)C2)c(O)c1O 179499621 DMKGXKREZTZOCN-GOSISDBHSA-N 301.386 3.369 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)NCCc2ccccc2)c1 171720567 CLTZDIRYXXTZGZ-CYBMUJFWSA-N 314.385 3.004 10 10 DGCE CC[C@@H]1SCCS[C@H]1c1noc(-c2cccc(O)c2O)n1 126888661 PDRXJLVQIJAFAN-CMPLNLGQSA-N 324.427 3.448 10 10 DGCE Cn1c(COc2ccc(N3CCCC3)cc2)nnc1C1CCC1 181453316 FNXCDJDVBBINSE-UHFFFAOYSA-N 312.417 3.262 10 10 DGCE C[C@H](N[C@@H]1CCCC[C@@H]1O)c1cc(Br)ccc1O 185444734 YYJBEATWRPKHHR-BHYNMZESSA-N 314.223 3.109 10 10 DGCE CCN(C(=O)c1ccc(C)c(O)c1O)[C@@H](C)c1cccnc1 182454102 BZEMWNYIUSHQFV-LBPRGKRZSA-N 300.358 3.025 10 10 DGCE Oc1cc2c(cc1CN1Cc3ccccc3C3(CC3)C1)OCO2 185148523 APMQGUSQGGPKTE-UHFFFAOYSA-N 309.365 3.168 10 10 DGCE Cc1cccc(C)c1OCCCNC(=O)Nc1ccc(N)cc1 217298055 GOWKYYYKOSGLEH-UHFFFAOYSA-N 313.401 3.476 10 10 DGCE Cc1ccc([C@H](C)NCc2cccnc2-n2ccnc2)c(O)c1 184989671 BPXMZOVMDMDXRU-AWEZNQCLSA-N 308.385 3.132 10 10 DGCE COc1ccc(O)c(CN[C@H](C)c2ccc(F)cc2N(C)C)c1 89726190 PZZRZKFNQWFKIN-GFCCVEGCSA-N 318.392 3.457 10 10 DGCE C[C@@](NCCN=[N+]=[N-])(C(=O)O)c1ccc(Cl)cc1Cl 90256270 BDUKOXGJYHXVDH-NSHDSACASA-N 303.149 3.193 10 10 DGCE CC[C@@H]1OCC[C@H]1CNCc1cc(Br)ccc1O 233920286 NGFBXHUNKSGELH-HZMBPMFUSA-N 314.223 3.059 10 10 DGCE CC(=O)N(C(=S)N(C)C1CCCCC1)c1ccc(N)cc1 242697292 CYDLEMSLPDYBST-UHFFFAOYSA-N 305.447 3.171 10 10 DGCE CCCCN(Cc1ccccc1O)C[C@@H](O)CC(F)(F)F 282346016 CFKZVYNOWPCJRK-ZDUSSCGKSA-N 305.340 3.308 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCCC1(F)F 807598438 VHNSIVMMJVRUDD-CQSZACIVSA-N 311.376 3.082 10 10 DGCE CO[C@@H]1CCCN([C@H](C)c2cc(Br)ccc2O)C1 299899996 JQXWNLNVOXLYSH-ZYHUDNBSSA-N 314.223 3.327 10 10 DGCE CN(Cc1ccc(=N)[nH]c1)Cc1cc(Cl)cc(Cl)c1O 2165639591 IIVLFCKTKOIPDL-UHFFFAOYSA-N 312.200 3.139 10 10 DGCE CN1C[C@H]2CCN(Cc3cc(-c4ccccc4)ccc3O)[C@H]2C1 814172899 CUFPUAUJNNVWDJ-MJGOQNOKSA-N 308.425 3.195 10 10 DGCE C[C@@H](CC(=O)NCc1ccc(N2CCCC2)cc1)[C@@H]1CCCO1 821844127 YRVFEKRCVWBRNW-YJBOKZPZSA-N 316.445 3.108 10 10 DGCE CC(C)O[C@@]1(CN[C@H](C)c2cc(Cl)ccc2O)CCOC1 903357536 NAKYOWLKZLQSML-MLGOLLRUSA-N 313.825 3.280 10 10 DGCE Cn1c(-c2ccccc2)cnc1SC[C@@H]1CCC2(COC2)O1 916203203 LYLPXIPGCPYQAE-AWEZNQCLSA-N 316.426 3.127 10 10 DGCE C/C(=C\c1cccnc1)C(=O)NCc1ccc(N(C)C)cc1C 846875119 DAMIQOXEJIVSHL-XNTDXEJSSA-N 309.413 3.176 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)C(C)(C)C(C)C)C2)cc1 855228219 XTQAQEAIGPYPMP-AWEZNQCLSA-N 304.434 3.072 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)C(C)(C)CC(C)C)C2)cc1 855233587 ISOAINOBHFBENO-OAHLLOKOSA-N 318.461 3.462 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)c1cccc2c1C(=O)CC2 865903811 HLFKBROAGKZHFW-UHFFFAOYSA-N 322.408 3.120 10 10 DGCE C[C@H](NCCc1cn(C)c2ncccc12)c1ccc(F)cc1O 866572534 BXJGLYXXVVAOOO-LBPRGKRZSA-N 313.376 3.311 10 10 DGCE COc1cccc(CN2CCc3ccc(F)c(F)c3C2)c1O 770355107 KZQUBECHIUYCIX-UHFFFAOYSA-N 305.324 3.237 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)Nc1ccc2oc(C3CC3)nc2c1 1136076722 WOOOAQVOTZGYMU-UHFFFAOYSA-N 324.336 3.298 10 10 DGCE COc1cc(O)c(CNCc2cc(O)ccc2Cl)cc1OC 895637507 KZPYDKZKZVPSGV-UHFFFAOYSA-N 323.776 3.058 10 10 DGCE COc1cc(C)cc(CN(C)Cc2ccccc2O)c1OC 893962923 XBPROCHJAAPKBJ-UHFFFAOYSA-N 301.386 3.350 10 10 DGCE c1ccc(COc2ccc(N3CC4(CCCNC4)C3)cc2)cc1 1899863716 XCCZWHQQJJEXAC-UHFFFAOYSA-N 308.425 3.455 10 10 DGCE C[C@@H](O)[C@H](NCc1cc(Cl)cc(Cl)c1O)C(F)(F)F 1882638943 JCZOOERRJFEBPH-FWOIEVBISA-N 318.122 3.100 10 10 DGCE COc1ccc(O)c([C@@H](C)NCC(=O)c2ccccc2F)c1 1168712458 LJLQQVDSZQUSMV-LLVKDONJSA-N 303.333 3.073 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2cc(F)cc3ccncc23)c1 1301046485 CKRMZMPOEVFITI-UHFFFAOYSA-N 310.328 3.318 10 10 DGCE O=C(NCc1ccccc1O)N[C@@H]1C[C@H]1c1ccccc1Cl 1313022527 QFCTWDQSKVTRCT-DZGCQCFKSA-N 316.788 3.401 10 10 DGCE O=C(N[C@@H](CF)c1ccc(F)cc1)N1Cc2cccc(O)c2C1 1313182752 DHINISSSMDNATJ-HNNXBMFYSA-N 318.323 3.267 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)[C@@H]1C[C@H]1c1ccncc1 1179033154 UODAGIJFXFJPFV-DLBZAZTESA-N 318.376 3.360 10 10 DGCE C[C@H](N[C@H](C)CN(C)C(=O)OC(C)(C)C)c1ccc(O)cc1O 706533690 AODNMMJIOUVEII-NEPJUHHUSA-N 324.421 3.004 10 10 DGCE COc1ccc(CNC[C@H](C)N(C)C(=O)C=C2CCC2)cc1C 1268059764 CQAKVNVGLFUOQC-HNNXBMFYSA-N 316.445 3.050 10 10 DGCE CC/C=C(/C)C(=O)N[C@H]1C[C@@H](NCc2ccc(OC)c(C)c2)C1 1266669876 MCPMWMRPCAZLRG-GPVDNBNFSA-N 316.445 3.097 10 10 DGCE CC1(C)CN(C(=O)Cc2ccc(O)c(O)c2)[C@@H]1c1cccs1 1298860308 PZPOGIIXNNKVTQ-MRXNPFEDSA-N 317.410 3.312 10 10 DGCE Cc1ccc(Cl)c2c1CCCN2C(=O)/C=C/c1cnn(C)c1 1528789819 MQVCSUIDOBLQAU-SOFGYWHQSA-N 315.804 3.375 10 10 DGCE C=Cc1ccc(CCNC(=O)NCc2c(O)cccc2F)cc1 1470263420 NWHPRSDPJKPGBQ-UHFFFAOYSA-N 314.360 3.216 10 10 DGCE C[C@H](N[C@@H](C)c1ccccc1O)C(=O)c1c[nH]c2ncccc12 1473723722 JHYMFZXPVSFJBN-RYUDHWBXSA-N 309.369 3.191 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1c(C)cccc1F 1627026703 UCPZJBDJXVYEFE-UHFFFAOYSA-N 308.349 3.255 10 10 DGCE CC(C)C[C@@H]1C[C@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 1638784077 JHZMIFPKTJWMFF-MWLCHTKSSA-N 305.399 3.477 10 10 DGCE CC1(c2ccccc2)CN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1646226175 WWQLZJUNRGBTSB-UHFFFAOYSA-N 322.368 3.263 10 10 DGCE COCC1(CNC(=O)c2sccc2-n2c(C)ccc2C)CC1 1644103354 DIPNBYFHEZRZEY-UHFFFAOYSA-N 318.442 3.312 10 10 DGCE O=C(CSc1nccs1)c1ccc(Br)cn1 1656234371 IVDQOQKMBXKFDQ-UHFFFAOYSA-N 315.217 3.276 10 10 DGCE C[C@@H]1Cc2cc(C(=O)NCc3cc(Cl)ccc3O)ccc2O1 1583820845 OCQPEDRCNZYIRM-SNVBAGLBSA-N 317.772 3.299 10 10 DGCE c1cc2c(cc1CN[C@H](C1CCC1)[C@@H]1CCCO1)CCCO2 1662971227 VCDQTDFDLZPDJV-RBUKOAKNSA-N 301.430 3.449 10 10 DGCE [N-]=[N+]=NCC1CCN(C(=O)c2ccc(Br)cn2)CC1 1912180792 GIOVDCPHGTYKST-UHFFFAOYSA-N 324.182 3.007 10 10 DGCE CN(CCN=[N+]=[N-])C(=O)COc1cc(Cl)ccc1Cl 1912198061 BSWXGTVCROGXCH-UHFFFAOYSA-N 303.149 3.141 10 10 DGCE CCN[C@@H](C)c1ccc(N2CC(F)C2)cc1Br 1916991131 JLZRZSFDEJJXDL-VIFPVBQESA-N 301.203 3.278 10 10 DGCE CCn1cnc(CNCc2cc(Cl)cc(Cl)c2O)c1 1967788258 UYNNURKVDVDCIR-UHFFFAOYSA-N 300.189 3.205 10 10 DGCE COc1cc(Cl)cc(CNCC(F)(F)C(F)(F)F)c1O 2145897092 CEPZCIONQHXDQA-UHFFFAOYSA-N 319.657 3.341 10 10 DGCE C[C@@H]1CN(Cc2ccccc2)[C@H](C)CN1CCc1ccc(N)cc1 1946783232 NQSWYDWJJPUAKH-QZTJIDSGSA-N 323.484 3.406 10 10 DGCE CC(C)(C)OC(=O)Nc1ccc([N+](=O)[O-])cc1[C@H](CO)N=[N+]=[N-] 1951354080 DEYZNPFVXNFTRP-NSHDSACASA-N 323.309 3.286 10 10 DGCE N[C@@H]1CC[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3O)C[C@@H]2C1 1969033608 FVJQQKIUHUGQDM-GBIKHYSHSA-N 315.244 3.258 10 10 DGCE CN(CCC=CCOc1ccc(N)cc1)C(=O)OC(C)(C)C 1952517958 PIFPSRGAVNBSKP-UHFFFAOYSA-N 306.406 3.461 10 10 DGCE CO[C@H]1[C@@H](NCc2cccc(Br)c2O)CC1(C)C 1974300293 SGDOFMNNFOQNAV-AAEUAGOBSA-N 314.223 3.058 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](Nc3ccccc3N)CC[C@H]2C1 1977678279 MMRANINTDWRNSU-GUTXKFCHSA-N 317.433 3.326 10 10 DGCE CCN(CC)c1ccc([C@@H](N)[C@@H](C)NC(=O)OC(C)(C)C)cc1 1977944512 GVWVKTAVOAXDHD-CJNGLKHVSA-N 321.465 3.446 10 10 DGCE CC(C)(C)OC(=O)N[C@@]12CC[C@@H](CN(CCCCN=[N+]=[N-])C1)C2 1982246386 UEGZVZFNYWOAFI-CZUORRHYSA-N 323.441 3.456 10 10 DGCE C[C@H](CCO)N(Cc1ccccc1)c1ccc2c(c1)CC[C@@H]2N 1986603205 SMVACBMBLQMRJC-QRWLVFNGSA-N 310.441 3.410 10 10 DGCE CC[C@@H](COC(F)F)Nc1c(N)cccc1Br 2014144522 UYJDGDGPPXKBQX-ZETCQYMHSA-N 309.154 3.461 10 10 DGCE CC1(C)[C@@H]2CNC[C@@H]2CN1Cc1cc(Cl)cc(Cl)c1O 90334327 LZAAJPYJNFXFFF-ZYHUDNBSSA-N 315.244 3.129 10 10 DGCE CCN(CC)c1ccc(CN[C@@H]2CCCCC23OCCO3)cc1 715661971 MDTLBMJLSZMHMW-GOSISDBHSA-N 318.461 3.308 10 10 DGCE Cc1cccc([C@@H](C)n2nc(CC(C)C)cc2C(=O)O)c1O 2069878256 VXRZWKSXNIWMOL-GFCCVEGCSA-N 302.374 3.403 10 10 DGCE COC(=O)c1cc(C2CC2)nn1[C@H](C)c1cccc(C)c1O 2069965356 SFDNAZDBFLJMIR-LLVKDONJSA-N 300.358 3.170 10 10 DGCE COc1ccc(O)c(Cn2nc(C3CCCC3)cc2C=O)c1 2070057180 BSSPPUJFALVMGR-UHFFFAOYSA-N 300.358 3.116 10 10 DGCE CNCc1cc(CC(C)C)nn1Cc1c(O)cccc1Cl 2070078080 ZONPOUMIUNKYSB-UHFFFAOYSA-N 307.825 3.208 10 10 DGCE Cc1cnn(Cc2c(O)cccc2Br)c1Cl 2070308904 DMLUDQCOMIKUMQ-UHFFFAOYSA-N 301.571 3.361 10 10 DGCE Cc1cccc(Cn2nc(C3CC3)c(CO)c2C(F)F)c1O 2079127057 IXNCJLIWYCFPTO-UHFFFAOYSA-N 308.328 3.253 10 10 DGCE Cc1cc(Br)ncc1CN1CC[C@H](CN=[N+]=[N-])C1 2057192408 HCUQQVWKZBVKCB-SNVBAGLBSA-N 310.199 3.285 10 10 DGCE Oc1cccc(Br)c1CNC[C@H]1C2C[C@@H]3C1[C@@H]3C2 2070865606 ASYLRIVCRNCNPG-FSELMYKTSA-N 308.219 3.146 10 10 DGCE C[C@@H]1C[C@H](CN)CCN1Cc1cc(Cl)cc(Cl)c1O 2091833062 HGDQVAZYHDUAMX-NXEZZACHSA-N 303.233 3.258 10 10 DGCE C[C@@](O)(c1ccc(Br)cc1)[C@@H](N)c1ccccc1O 2091867478 MKZDBLAHMLEIAC-LSDHHAIUSA-N 322.202 3.062 10 10 DGCE C[C@@H]1CCC[C@H](CN(C)c2cc(Cl)c(CN)cc2F)O1 2235222538 HQIHXNTXPKZPSI-ZYHUDNBSSA-N 300.805 3.332 10 10 DGCE CSc1ncc(CNCc2cccc3nsnc23)s1 2269193173 KBZFZAQTWJEPSL-UHFFFAOYSA-N 308.457 3.160 10 10 DGCE CC[C@@H]1CCN(Cc2c(Br)ccc(OC)c2O)C1 1231555972 VWRHDEATECFHAX-SNVBAGLBSA-N 314.223 3.395 10 10 DGCE Cc1ncsc1C=CC(=O)N1CCCN(C)c2ccccc21 2310093138 ODYKKJNIRFKCRK-UHFFFAOYSA-N 313.426 3.338 10 10 DGCE O=C1NC(=S)SC1=Cc1ccc(Sc2ccccn2)o1 2313503331 ZDYGBFWHBIEXJV-UHFFFAOYSA-N 320.420 3.315 10 10 DGCE CCOC(=O)[C@@H]1CCCN(N=Nc2cc(C)ccc2OC)C1 2330234244 NJMXOWIFPOIPLZ-CYBMUJFWSA-N 305.378 3.277 10 10 DGCE CCCOC1CN(Cc2ccc(C)c(Br)c2O)C1 2327600636 WFVAJVFFCKLOEE-UHFFFAOYSA-N 314.223 3.074 10 10 DGCE Cc1ccc(NS(=O)(=O)Cc2ccc(N)cc2)c(Cl)c1 20470982 BVTLBHVKKVIFCQ-UHFFFAOYSA-N 310.806 3.173 10 10 DGCE C[C@H](Nc1cc(C(N)=O)ccc1Cl)c1ccc(O)cc1O 36943466 OILJDUVGADRPLL-QMMMGPOBSA-N 306.749 3.023 10 10 DGCE O=C(O)c1nc2ccc(F)cn2c1/N=N\c1ccc(O)cc1 71591673 JMQPFIYEZCXXFA-ZCXUNETKSA-N 300.249 3.293 10 10 DGCE CCCCOc1ccc(N2CC[C@@H](CNCCCOC)C2)cc1 76438011 PWRZCHMZZINVNZ-KRWDZBQOSA-N 320.477 3.318 10 10 DGCE C[C@@H](N)c1ccc(N(CCO)Cc2ccccc2)cc1Cl 78907695 GQRCTVZWUXOACU-CYBMUJFWSA-N 304.821 3.359 10 10 DGCE C[C@H]1Cc2ccccc2[C@H]1NC(=O)NCc1ccc(N(C)C)cc1 111430911 RVWXOMIGAFLOCQ-LIRRHRJNSA-N 323.440 3.485 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)CC[C@H]1CCCOC1 175508269 AZGBUKGDUZWXQQ-OAHLLOKOSA-N 305.418 3.338 10 10 DGCE CC(C)Oc1ccc(N(C)Cc2nnc(C(C)C)n2C)cc1 191586268 ONBXKASAWBKVDG-UHFFFAOYSA-N 302.422 3.362 10 10 DGCE CC(C)Oc1ccc(N(C)C(=O)/C=C/c2cncc(O)c2)cc1 192263155 CWZHFBHUHCYAEW-RUDMXATFSA-N 312.369 3.251 10 10 DGCE CN(C)c1ccc(CN[C@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1 193949905 HLVKPPIYQQFPEO-FGTMMUONSA-N 300.446 3.190 10 10 DGCE Cc1ccc2nc(/C=C3\SC(=S)N(C)C3=O)ccc2c1 206401515 FFKPPTOWJGAXIM-JYRVWZFOSA-N 300.408 3.374 10 10 DGCE CCNCc1ccc(N(CC)CCOC)c(Br)c1 233514697 IGDNDIYNTBTIDN-UHFFFAOYSA-N 315.255 3.031 10 10 DGCE CC(=O)N(C(=S)Nc1ccccc1F)c1ccc(N)cc1 244398102 YISMYEJGNVJPCG-UHFFFAOYSA-N 303.362 3.158 10 10 DGCE CC[C@H](N[C@H]1CCCc2nn(C)cc21)c1ccc(F)cc1O 286375736 ALERGCVTZSYCRY-GJZGRUSLSA-N 303.381 3.383 10 10 DGCE COc1ccc(O)c(CNC[C@H]2CC[C@H](c3ccccc3)O2)c1 367689030 QOXZDSOPCLZSDB-IEBWSBKVSA-N 313.397 3.411 10 10 DGCE C[C@@H](NCc1cc2c(cc1O)OCO2)[C@H]1CC2CCC1CC2 381889136 LDAOPQLFCKNVBM-XZNOPERXSA-N 303.402 3.425 10 10 DGCE Nc1ccc(CCN2CCC(OCc3ccccc3)CC2)cc1 383950907 UMJAMXDPOYAMKJ-UHFFFAOYSA-N 310.441 3.493 10 10 DGCE COC(=O)Cc1cc(Br)cc2c(O)csc12 396279021 WOFMHDCBNJEIMG-UHFFFAOYSA-N 301.161 3.085 10 10 DGCE CCOc1cc(CNCc2ccccc2O)c(F)cc1OC 527650720 CMDVZJARTCNVKQ-UHFFFAOYSA-N 305.349 3.228 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)c2nc(Cl)ccc2Cl)C1 701323226 PLRMBJSMJIIOLR-ZETCQYMHSA-N 300.149 3.303 10 10 DGCE CS[C@H]1CC[C@@H]1NCc1c(O)cccc1Br 706824845 KNLQTKKAHFLJDG-JQWIXIFHSA-N 302.237 3.138 10 10 DGCE Oc1c(Br)cccc1CN[C@@H]1C[C@H]2[C@@H](C1)C2(F)F 710483553 ZBZDVGWSPSZFFM-ILWJIGKKSA-N 318.161 3.288 10 10 DGCE CN(C[C@H]1CCCN(Cc2ccccc2)C1)c1ccc(CN)cc1 719950827 VDCIMTSPBHGXCD-HXUWFJFHSA-N 323.484 3.494 10 10 DGCE COc1cccc(/C(C)=C\C(=O)NCc2ccc(N(C)C)cc2)c1 751220498 YSCQEIJUCKCRTQ-QINSGFPZSA-N 324.424 3.481 10 10 DGCE CN(Cc1ccccc1O)C(=O)[C@H]1CC[C@@H](C(F)(F)F)C1 797190963 SIDRNSLTQMVOFQ-CMPLNLGQSA-N 301.308 3.329 10 10 DGCE CC(C)(C)[C@H]1CC[C@H]1NCc1ccc(N2CCOCC2)cc1 806134152 VAUWVVXQOWUEHV-ZWKOTPCHSA-N 302.462 3.438 10 10 DGCE CC[C@H]1C[C@H](NCc2cc(Br)ccc2O)CCO1 824376768 NUOQWSHYYPAAKX-OLZOCXBDSA-N 314.223 3.202 10 10 DGCE CC(C)[C@@H](NCc1ccc(N(C)C)cc1)C1(CO)CC=CC1 830517980 MNMARANGKMLFJZ-GOSISDBHSA-N 302.462 3.196 10 10 DGCE Cc1ccccc1[C@@H](CO)NC/C=C/c1ccc(N(C)C)cc1 835042075 GPWCQXMRAYUWFH-CPSHHHPTSA-N 310.441 3.397 10 10 DGCE CCn1c(CN2CCCc3cc(CN)ccc32)nc2ccccc21 843057693 RIZJRUCVUJGCCA-UHFFFAOYSA-N 320.440 3.468 10 10 DGCE C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CC1(C)C 850406459 HFYNLTPYFPCXFK-KDOFPFPSSA-N 302.462 3.172 10 10 DGCE CCc1cc(C)nc(N[C@H]2CCN(c3ccc(OC)cc3)C2)n1 853759298 RSSYBOMRNUMLJR-HNNXBMFYSA-N 312.417 3.047 10 10 DGCE CCCN(C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)C(C)C 854297141 NCNUUYPHJHKKSG-OAHLLOKOSA-N 319.449 3.104 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)C(C)=C3CCCC3)C2)cc1 855234341 XNMLXVFPZJKCQE-INIZCTEOSA-N 314.429 3.281 10 10 DGCE COC(=O)c1ccc(O)c([C@H](C)NCC2(OC(C)C)CCC2)c1 872117143 ZAMSECDIVZHLBV-ZDUSSCGKSA-N 321.417 3.177 10 10 DGCE Cc1noc2ncc(CN(C)Cc3ccc(N(C)C)cc3)cc12 893864257 VWMOCZINMLCJTF-UHFFFAOYSA-N 310.401 3.229 10 10 DGCE O=C(NCc1c(O)cccc1F)C(F)(F)c1ccccc1F 1156169981 ANBCBSCENLJEKD-UHFFFAOYSA-N 313.250 3.079 10 10 DGCE C[C@H](NC(=O)N1Cc2cccc(O)c2C1)c1cccc(F)c1F 1224489716 LIIXAWBFRDOURO-JTQLQIEISA-N 318.323 3.457 10 10 DGCE CC[C@](C)(O)C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C 1454623857 IYIOOLHITZQIJU-IBGZPJMESA-N 314.429 3.180 10 10 DGCE C[C@@H](Cc1ccccc1Cl)NC(=O)c1c(F)ccc(O)c1O 1457560090 SGNJVKQOLUQSOG-VIFPVBQESA-N 323.751 3.251 10 10 DGCE Cc1c([C@H](CN)CNC(=O)OC(C)(C)C)c2ccccc2n1C 1536010384 RZKMHSKPGFZZDT-CYBMUJFWSA-N 317.433 3.054 10 10 DGCE Cc1n[nH]c(C)c1[C@@H](C)C(=O)NCc1c(O)ccc2ccccc12 1558554516 RUYCBPQWXSPNFR-LLVKDONJSA-N 323.396 3.305 10 10 DGCE Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)c(O)c1O 1595605076 HXPWWDPVICVWHG-SUFBMKPHSA-N 303.402 3.351 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N[C@@H](c1ccccc1)C1CCC1 1627374453 OIBLOBPHSFJRDV-IBGZPJMESA-N 311.381 3.298 10 10 DGCE CN(Cc1ccccc1O)C(=O)c1ccc(-c2ccccn2)nc1 1631151755 UBWNVKOCOZLWAX-UHFFFAOYSA-N 319.364 3.121 10 10 DGCE O=C(NCc1cccc(O)c1O)c1ccc(C(F)F)cc1F 1637045228 AKHRWELQVCXQJW-UHFFFAOYSA-N 311.259 3.105 10 10 DGCE CSC1(C(=O)NCc2c(O)ccc3ccccc23)CCC1 1645441175 VICUWMZITJDKRO-UHFFFAOYSA-N 301.411 3.447 10 10 DGCE CCc1ccc2c(c1)CCN2C(=O)/C=C/c1ccc(O)c(O)c1 1648616443 OTSFOJUMHCLZDP-VMPITWQZSA-N 309.365 3.263 10 10 DGCE Cc1cc(CN2CCN(c3ccncc3)[C@@H](C)C2)ccc1N(C)C 1659975370 LRTGTSBWCRSCEY-KRWDZBQOSA-N 324.472 3.167 10 10 DGCE CCOC(=O)N1CCC(N=NNc2cc(F)ccc2F)CC1 1860496797 XWTJKRCECDBVHX-UHFFFAOYSA-N 312.320 3.365 10 10 DGCE C[C@H](O)c1ccc(N2CC3(C2)CC3(F)F)c(Br)c1 1914918239 FNTYTQFKFMIMTL-QMMMGPOBSA-N 318.161 3.348 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](F)C[C@@H]1COc1ccc(N)cc1 1953013062 QDSPFWXGPNXLQU-GXTWGEPZSA-N 324.396 3.385 10 10 DGCE CN(CCCCN=[N+]=[N-])C[C@@H]1CCCN1C(=O)OC(C)(C)C 1962297845 AZQICAXLAZJEBW-ZDUSSCGKSA-N 311.430 3.408 10 10 DGCE CN(CCCN=[N+]=[N-])[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1962305158 QOVHTIQRLMBJTN-OLZOCXBDSA-N 311.430 3.455 10 10 DGCE Nc1ccc(CCNCc2cnc(C(F)(F)F)s2)cc1 1963539255 SGHPPNBOPLWUBB-UHFFFAOYSA-N 301.337 3.076 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H](Nc2c(N)cccc2F)C12CC2 1977664641 NRCNGWHMAKEAAS-CYBMUJFWSA-N 321.396 3.362 10 10 DGCE CN(C)c1ccc([C@@H](N)c2cnn(Cc3ccccc3)c2)cc1 1977946631 WMHSUQCSGTYMFX-LJQANCHMSA-N 306.413 3.046 10 10 DGCE C[C@H](CCO)N(Cc1ccccc1)c1ccc2c(c1)CC[C@H]2O 1986602924 OKANMBQDLWYQNW-FOIQADDNSA-N 311.425 3.444 10 10 DGCE COC[C@]1(C)CCN1c1ccc([C@@H](C)O)cc1Br 2055907911 ADXREZAIEJCIOP-YGRLFVJLSA-N 314.223 3.118 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@H](F)C[C@@H](F)C2)cc1Br 2062395800 CYFZIGGNVLXEJJ-OPRDCNLKSA-N 320.177 3.389 10 10 DGCE CNCc1cc(CC(C)C)nn1[C@H](C)c1ccc(OC)cc1O 2070050213 MKOCDBBKGGTRJY-CYBMUJFWSA-N 317.433 3.125 10 10 DGCE Cc1nn(Cc2cccc(Cl)c2O)c(N)c1C(F)(F)F 2079644315 MENPQMQFLMNOQK-UHFFFAOYSA-N 305.687 3.200 10 10 DGCE NCCc1cc(N2CCc3cc(Br)ccc32)ccn1 2140752116 OMKDHOCXQASRMD-UHFFFAOYSA-N 318.218 3.040 10 10 DGCE COc1ccc(N2CCCSC[C@H]2C(F)(F)F)c(N)c1 2143624480 ALPVSCJQXGYIGP-LBPRGKRZSA-N 306.353 3.152 10 10 DGCE CN(C[C@H]1CCCOCC1)c1cc(Cl)c(CN)cc1F 2206863425 UDXVIOHJCANARM-NSHDSACASA-N 300.805 3.191 10 10 DGCE COc1ncc(NCc2cc(C)ccc2O)cc1Br 2232190270 QRYDYUKNYSDYDL-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE Nc1ccc(CCCO[C@H]2CCN(Cc3ccccc3)C2)cc1 2244783718 REWPYSABMIWFKH-FQEVSTJZSA-N 310.441 3.493 10 10 DGCE Oc1c(Br)cccc1CN[C@@H]1CCC[C@@H]1CF 2251068365 KAQQQQJGBOEJEW-BXKDBHETSA-N 302.187 3.383 10 10 DGCE CN[C@H](C)c1ccc(N2CC(P(C)(C)=O)C2)c(Cl)c1 2270656346 MUDSZHXJTBOMMY-SNVBAGLBSA-N 300.770 3.432 10 10 DGCE Cc1ccccc1C1(CNC(=O)C=Cc2ccc(O)c(O)c2)CC1 2307986890 KUTYCGKBOHPEIF-UHFFFAOYSA-N 323.392 3.267 10 10 DGCE CCS[C@@H]1CC[C@H](N(C)C(=O)C=Cc2ccc(O)c(O)c2)C1 2307987737 HLIWZMDKTPQLOF-UONOGXRCSA-N 321.442 3.244 10 10 DGCE CC(C)[C@@H](O)C(C)(C)NCc1c(O)cccc1Br 2318141919 LPCAOVWXDQVVEO-CYBMUJFWSA-N 316.239 3.040 10 10 DGCE CCCN1N=C(C)C(=Cc2cccc(Br)c2)C1=O 2332098034 QGYIPMRLVRJONM-UHFFFAOYSA-N 307.191 3.461 10 10 DGCE Cc1ccc(CN2C[C@@H](C3CC3)CC2=O)c(O)c1Br 2352665889 RMYZWKWXNQCPLX-LBPRGKRZSA-N 324.218 3.222 10 10 DGCE CC(C)(C)OC(=O)NC[C@](C)(NCc1ccccc1O)C1CC1 109844837 LADKBICXMKZTOI-SFHVURJKSA-N 320.433 3.175 10 10 DGCE CN1CCCc2cc(CN(CCN)Cc3ccccc3)ccc21 303916415 USKJROJMPQPYEQ-UHFFFAOYSA-N 309.457 3.030 10 10 DGCE CN[C@H](C)c1ccc(N(C)[C@@H](C)COC)c(Br)c1 61697119 KMUIYKTYWITNBH-WDEREUQCSA-N 315.255 3.201 10 10 DGCE C[C@@H](CO)CN(Cc1cccs1)c1ccc2c(c1)OCCO2 121370264 FONINHQDLUXBLU-CYBMUJFWSA-N 319.426 3.154 10 10 DGCE CN(C)c1ccc([C@@H](Nc2ccc(Cl)cc2)C(N)=O)cc1 37945197 SNNVOUFUOIBUDA-OAHLLOKOSA-N 303.793 3.045 10 10 DGCE COCCn1cc(N[C@@H](C)c2cc3c(cc2O)CCCC3)cn1 186333890 PKCNYAFLAQAKJK-ZDUSSCGKSA-N 315.417 3.287 10 10 DGCE O=C1N=C(NC2CCCC2)S/C1=C/c1cccc2cn[nH]c12 71922069 SSQSQGMIUKWXHS-MDWZMJQESA-N 312.398 3.065 10 10 DGCE C[C@H](N)c1ccc(N2CC[C@@]3(O)CCCC[C@@H]3C2)cc1Cl 220300188 MYPCNZHBZWTIRW-AHIWAGSCSA-N 308.853 3.491 10 10 DGCE C[C@@H](NCc1cc(F)ccc1O)c1nc(C2CCCC2)no1 191583299 JMZHZIAMYDDFDV-SNVBAGLBSA-N 305.353 3.423 10 10 DGCE COC(=O)[C@@H](NCCCN=[N+]=[N-])c1csc2ccccc12 90259604 MSVIBMQIFZQFPN-ZDUSSCGKSA-N 304.375 3.405 10 10 DGCE CCOCc1cc(CN[C@@H]2[C@H](C)O[C@@H](C)[C@@H]2C)ccc1OC 527803910 LKOXKICOAVNLGF-NUXNZHGMSA-N 307.434 3.133 10 10 DGCE CCCCN(Cc1ccccc1O)C[C@H](O)CC(F)(F)F 282346010 CFKZVYNOWPCJRK-CYBMUJFWSA-N 305.340 3.308 10 10 DGCE CC(C)(C)[C@H](N)c1cc([N+](=O)[O-])cc(Br)c1O 725398956 NKVIWLJVECQWIE-SNVBAGLBSA-N 303.156 3.109 10 10 DGCE CC1(C)Cc2n[nH]cc2CN(Cc2c(O)cccc2Cl)C1 828014047 RVBIMKBSMPGNRL-UHFFFAOYSA-N 305.809 3.353 10 10 DGCE Cc1cc(N(C)C)ccc1CNCCc1cnc(C2CC2)nc1 840935872 DFFWLWZRIGHUIW-UHFFFAOYSA-N 310.445 3.061 10 10 DGCE Cc1nn(C)c(C)c1C[C@@H](C)NCc1ccc2c(c1)CCCO2 921785854 NQEODZBTOBBZRO-CYBMUJFWSA-N 313.445 3.083 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3C[C@]3(C)C(C)C)C2)cc1 855225525 KANXRFCCHQHFQD-UCLAIMLFSA-N 316.445 3.072 10 10 DGCE COc1ccc(N2CCC(N[C@@H]3[C@H](C)O[C@H](C)[C@@H]3C)CC2)cc1 858283614 MNCQFFOSTYTKAU-YGTYGHESSA-N 318.461 3.066 10 10 DGCE C[C@@H](Nc1cccc([C@@H]2CNC(=O)C2)c1)c1cc(F)ccc1O 757619857 UZAILAULKKJYCO-YPMHNXCESA-N 314.360 3.308 10 10 DGCE COCc1sccc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 867502758 CNNYKEZAFBDMDD-GFCCVEGCSA-N 318.442 3.452 10 10 DGCE COc1ccc(N(Cc2nnnn2C(C)(C)C)CC(C)C)cc1 766808507 GVHZNYXBSVHNRP-UHFFFAOYSA-N 317.437 3.099 10 10 DGCE COc1cccc(O)c1CN(C)Cc1nc2c(s1)CCCC2 769394006 HFQOPRNFZCDWEL-UHFFFAOYSA-N 318.442 3.368 10 10 DGCE COc1ccc(CNCc2ncc(C(F)(F)F)s2)c(O)c1 793386700 XWXMEAFNQWOTFY-UHFFFAOYSA-N 318.320 3.166 10 10 DGCE COc1cc(CN2CC[C@@H](C(F)(F)F)[C@H]2C)c(O)cc1C 794650780 MSGCFZXDAVAFDS-ZYHUDNBSSA-N 303.324 3.482 10 10 DGCE O=C(NC[C@@H]1CCC[C@@H]2C[C@H]12)c1cc2cc(O)c(O)cc2s1 1147563684 IMICCDGVOCUDPS-SCVCMEIPSA-N 317.410 3.479 10 10 DGCE Oc1cccc(F)c1CN[C@@H]1CC[C@H]1OCc1ccccc1 1958778081 AAJXLZVGBFZDGV-SJLPKXTDSA-N 301.361 3.369 10 10 DGCE C[C@H](NC(=O)c1cccc(Cl)c1N)c1ccc(N(C)C)cc1 1154668251 DSJDEJMMEOPOSR-NSHDSACASA-N 317.820 3.479 10 10 DGCE COc1ccc(N(C)CC(F)(F)Br)c(OC)c1 1307598125 OSPYSHAJKQKWNP-UHFFFAOYSA-N 310.138 3.128 10 10 DGCE C[C@@H](NCCCOCc1ccccc1)c1c(O)cccc1O 390079729 AVHHQBMZJDYLLN-CQSZACIVSA-N 301.386 3.355 10 10 DGCE CN(C)c1ccc(CNC(=O)c2nccc3ccsc23)cc1 1351265580 HEOPCTYBMHTSGJ-UHFFFAOYSA-N 311.410 3.292 10 10 DGCE Cc1ncccc1/C=C\C(=O)N1CCOc2ccc(Cl)cc21 1532997855 CVRLDRLYAUQRTK-DAXSKMNVSA-N 314.772 3.482 10 10 DGCE C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1cccc(O)c1O 1621177343 YFPBDGRJTPQCMU-QFYYESIMSA-N 315.344 3.290 10 10 DGCE CC(C)[C@@H](Cc1ccccc1)C(=O)NCc1c(O)cccc1O 1635847368 MUZNTCPLJMWDSP-OAHLLOKOSA-N 313.397 3.229 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)N[C@H]2CCC[C@@H]2O)c1 1642568698 OFAUMLVCABKXCH-WMZOPIPTSA-N 312.413 3.046 10 10 DGCE O=C(/C=C/c1ccc(Cl)cc1)NCc1cc(O)ccc1O 1651225453 JZBVBPJCXULWRV-FPYGCLRLSA-N 303.745 3.081 10 10 DGCE COc1ccc(N(C)C[C@H]2COC3(CCCCC3)O2)cc1OC 1653261364 VTDRSQQEKXIGAK-HNNXBMFYSA-N 321.417 3.216 10 10 DGCE CCN(C[C@H]1CCC[C@@]2(CCOC2)O1)c1ccc(OC)cc1 1657657931 WFGLOWQPEBRAOK-MSOLQXFVSA-N 305.418 3.250 10 10 DGCE CCN[C@@H](C)c1ccc2c(c1)CCN2CCOC(F)(F)F 162175177 MCOVWPSSZNGPEW-NSHDSACASA-N 302.340 3.256 10 10 DGCE CCN1CCN(c2ccc(CNC3CC3)cc2Cl)C[C@@H]1C 164074983 GBUZOPKBGVXWSL-ZDUSSCGKSA-N 307.869 3.122 10 10 DGCE CC[C@@H]1CCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 152803135 VZVYLGJLGADULP-HOSRBBHYSA-N 304.346 3.017 10 10 DGCE CCCOc1ccc(CN2CC[C@H](N(CC)CC)C2)c(O)c1 156013509 FNZBBDTUXCSEKZ-INIZCTEOSA-N 306.450 3.097 10 10 DGCE C[C@H](c1ccccc1)n1cnc2c1C(=O)c1ccccc1C2=O 15906206 OISDVXIDNCCDLV-GFCCVEGCSA-N 302.333 3.268 10 10 DGCE CCN(CC)c1ccc(CNCC(=O)N2CCCC[C@H]2C)cc1 1857866697 XOYOQQDTWJESRH-MRXNPFEDSA-N 317.477 3.023 10 10 DGCE CN[C@@H](C[C@H](C)CNC(=O)OC(C)(C)C)c1ccccc1O 1928466753 FTTMHRUZCHPECJ-JSGCOSHPSA-N 308.422 3.204 10 10 DGCE Cc1cc(N2CC[C@@H](N(C)Cc3ccccc3)C2)ccc1CCN 1946812321 ALAZOWVYRNZSFY-OAQYLSRUSA-N 323.484 3.207 10 10 DGCE CC(=O)[C@@H](CCCCc1ccc(N)cc1)NC(=O)OC(C)(C)C 1952711461 RRKDFRUKTNOABH-MRXNPFEDSA-N 320.433 3.464 10 10 DGCE COc1ccc(N(C)CC(C)(C)NC(=O)OC(C)(C)C)c(N)c1 1977891767 LORKCESSJBTKAO-UHFFFAOYSA-N 323.437 3.017 10 10 DGCE CC[C@@H](NC(=O)OC(C)(C)C)[C@](C)(O)c1ccc(N(C)C)cc1 1977958100 KXWHGPNFGYISET-CRAIPNDOSA-N 322.449 3.263 10 10 DGCE CCCN(c1ccc(N)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 1977970113 JLKMKPTYCUMUAS-INIZCTEOSA-N 319.449 3.495 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(c3ccc(N)cc3)C[C@@H]21 1977969916 HAQFSXTXNBCRMV-UHOFOFEASA-N 317.433 3.008 10 10 DGCE NCc1ccc(N2CCS[C@@H]3CC[C@H]32)c(C(F)(F)F)c1 2152191385 JMIXZEMWVCSQCE-CHWSQXEVSA-N 302.365 3.248 10 10 DGCE C[C@@H](c1cc(Br)ccc1O)N1CCOCC[C@H]1C 2031609011 IADHCJKMABWNAT-MNOVXSKESA-N 314.223 3.327 10 10 DGCE Cc1ccc([C@H](C)n2cc(C(=O)OC(C)(C)C)c(O)n2)c(O)c1 2070637566 IAWYDCUIJBKORO-NSHDSACASA-N 318.373 3.167 10 10 DGCE CC1(c2nn(Cc3c(O)cccc3F)c(N)c2C2(C)CC2)CC1 2079718756 CCMFOZCGSADMHA-UHFFFAOYSA-N 315.392 3.461 10 10 DGCE CN(Cc1csc(Br)n1)Cc1ccccc1O 1137583992 APQGJKRUFFKXKZ-UHFFFAOYSA-N 313.220 3.243 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCCN(C(=O)C2(Br)CCC2)C1 2049223414 QFESTOXKCKCKEB-JTQLQIEISA-N 315.215 3.243 10 10 DGCE COCCOCCCN(C)[C@H](C)c1cc(Cl)ccc1O 2186326070 WWDDIRPYHNHLBP-GFCCVEGCSA-N 301.814 3.092 10 10 DGCE CN1C[C@@H]2CCC[C@@H](Nc3c(N)cccc3Br)[C@H]2C1 2094580251 HOZVJSAZKGJBTP-COPLHBTASA-N 324.266 3.174 10 10 DGCE Cc1cccc(CNC(=O)c2cc(Cl)cnc2Cl)c1O 2236673858 PMSPEOMRZJADPI-UHFFFAOYSA-N 311.168 3.332 10 10 DGCE CP(C)(=O)C1CN(c2ccc(CNC3CC3)cc2Cl)C1 2286168617 HLLOKDJYERDPAS-UHFFFAOYSA-N 312.781 3.403 10 10 DGCE CN(C(=O)C=Cc1ccc(Cl)nc1)c1ccc(Cl)cn1 2304526694 SDGAEJWENYWWDN-UHFFFAOYSA-N 308.168 3.460 10 10 DGCE CSc1cccc(N(C)C(=O)C=Cc2cncc(O)c2)c1 2308027611 LEXKRURGKYDODX-UHFFFAOYSA-N 300.383 3.185 10 10 DGCE CCC1=NN(c2ccccn2)C(=O)C1=Cc1ccc([N+](=O)[O-])cc1 2332147840 AIHIHFSWMYWTLV-UHFFFAOYSA-N 322.324 3.186 10 10 DGCE Cc1ccc(CNC(=O)[C@H]2CC23CCC3)c(O)c1Br 2352639622 AMWQYWOIONHNMD-LLVKDONJSA-N 324.218 3.270 10 10 DGCE c1cc2c(cc1CNC1CCN(CC3CCCC3)CC1)CCO2 68840353 YUDIWAVLULDWLU-UHFFFAOYSA-N 314.473 3.366 10 10 DGCE Nc1ccc(OCCCn2c(=O)ccc3cc(F)ccc32)cc1 75282585 VXHFEVAGVWOXAR-UHFFFAOYSA-N 312.344 3.192 10 10 DGCE Cc1cc(C(=O)N(C)[C@@H]2CCOC2)c(C)n1-c1ccc(F)cc1 106848662 YGTKOOYMXQEFFU-MRXNPFEDSA-N 316.376 3.094 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(C)nc1C 120086096 ADWVAIZHWCDZAJ-UHFFFAOYSA-N 311.429 3.427 10 10 DGCE Nc1ccc(CC(=O)NCCc2c(Cl)cccc2Cl)cc1 152831848 ABYISLPLJUOVSI-UHFFFAOYSA-N 323.223 3.477 10 10 DGCE CCNCc1cc(F)c(N2CCS[C@H](CC)C2)c(F)c1 157796386 DMQFMVNGTRRAAE-GFCCVEGCSA-N 300.418 3.406 10 10 DGCE COc1cc(Cl)cc(CN2CCC[C@H]2c2cnn(C)c2)c1O 184688746 OYTRQLDYNFEATN-AWEZNQCLSA-N 321.808 3.125 10 10 DGCE Cc1ccc(O)c([C@H](C)N[C@@H]2CCc3nnc(C(C)C)n3C2)c1 186293247 IKJLFOCEMRCMGM-UONOGXRCSA-N 314.433 3.081 10 10 DGCE COC[C@H](C)CN(C)c1ccc([C@H](C)N)c(Br)c1 310913229 DLAPRRKDXRTXTK-MNOVXSKESA-N 315.255 3.188 10 10 DGCE Nc1ccc(CCCNCc2coc(Br)c2)cc1 378904194 DATQGCIUIWTTRJ-UHFFFAOYSA-N 309.207 3.347 10 10 DGCE C[C@@H]1CCN(c2ccc(CN)cc2C(F)(F)F)CCS1 379547768 HNPVZKNLXGYKNG-SNVBAGLBSA-N 304.381 3.496 10 10 DGCE c1cc(N2CCOCC2)ccc1CNC1C[C@@H]2CC[C@H](C1)S2 403687628 KPTXMTDNOLIXNP-ZNXRZULTSA-N 318.486 3.039 10 10 DGCE C[C@]1(CNCc2cccc(Cl)c2O)COc2ccccc2O1 529637011 LUJWPNNGLWZFHD-KRWDZBQOSA-N 319.788 3.365 10 10 DGCE C[C@H](O)c1ccc(N2CC[C@H](CF)C2)c(Br)c1 711426791 KGQOXCCKULNBNM-VHSXEESVSA-N 302.187 3.298 10 10 DGCE C=C/C(C)=C/CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 788629821 FNACVZSEUDNJRD-FZSIALSZSA-N 314.429 3.004 10 10 DGCE COc1ccc2c(c1)CCN2Cc1nccn1-c1ccccc1 792161365 FTTXDTFGESSRED-UHFFFAOYSA-N 305.381 3.444 10 10 DGCE C[C@H](NCc1ccc2c(c1)CCN2Cc1ccccc1)C(C)(C)O 796277832 JHEUCNPDNAXVLJ-INIZCTEOSA-N 324.468 3.498 10 10 DGCE C[C@H]1CO[C@H](C(F)(F)F)CN1Cc1cccc(Cl)c1O 809697119 WNQKVXYDCKATNB-KWQFWETISA-N 309.715 3.197 10 10 DGCE Oc1ccc2ccccc2c1CN1CCO[C@@]2(CCSC2)C1 842622194 GRHZKRQZAWMPNS-SFHVURJKSA-N 315.438 3.253 10 10 DGCE Cc1cc(CN2CC3CC2(C(=O)O)C3)ccc1N1CCCCC1 849345588 YRXVODKKSBPDHD-UHFFFAOYSA-N 314.429 3.034 10 10 DGCE O=[N+]([O-])c1ccc(O)c(CN[C@H]2C[C@H](Oc3ccccc3)C2)c1 850374296 IDLLURFCELPXLC-SAZUREKKSA-N 314.341 3.000 10 10 DGCE COc1ccc(N2CCN(CC3C[C@@H]4C[C@H]4C3)CC2)cc1F 851807042 CDYIAQAUMWXSKE-HUUCEWRRSA-N 304.409 3.002 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@H]1CCN(C)C(C)(C)C1 858179550 NWTPWPKHXGRDBL-AEFFLSMTSA-N 317.521 3.454 10 10 DGCE C[C@@H]1C[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)[C@@H](C)O1 864786457 SGHQDCCBEGWHMA-HBUWYVDXSA-N 316.445 3.057 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CCCC23CC3)c1 868845391 VCSWFNFPALOFPO-ABAIWWIYSA-N 304.390 3.094 10 10 DGCE CN(Cc1ccns1)Cc1cccc(Br)c1O 895454140 VGZYVKPPJMKANC-UHFFFAOYSA-N 313.220 3.243 10 10 DGCE C[C@H](NCC[C@H](N(C)C)C(F)(F)F)c1ccc(N(C)C)cc1 926961687 ITAVJAUFTFYKAR-WFASDCNBSA-N 317.399 3.286 10 10 DGCE Cc1ccc(O[C@@H](C)C(=O)NCc2cc(Cl)ccc2O)cc1 1146232465 LQETYFKMDJHDTH-LBPRGKRZSA-N 319.788 3.438 10 10 DGCE Cc1c(F)ccc(C(=O)NCc2cc(Cl)ccc2O)c1N 1146246394 AHYFOLAHHPHXJI-UHFFFAOYSA-N 308.740 3.005 10 10 DGCE COc1ccc(CN[C@H]2C[C@H](CNC(=O)C(C)(C)C)C2)cc1C 1263878478 ZFFQXNORSRTJQS-WKILWMFISA-N 318.461 3.034 10 10 DGCE CCCCCCO[C@@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1 1351738586 PEWCNQOEMVJMKA-AWEZNQCLSA-N 324.440 3.493 10 10 DGCE COC(=O)COc1ccc(N(C)C[C@H]2C[C@H]3CC[C@H]2C3)cc1 1473372638 BCVZUIITMMCVCN-SOUVJXGZSA-N 303.402 3.111 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)C(C)(Cl)Cl 1539468415 LPEIIYKQQMRLII-UHFFFAOYSA-N 315.244 3.439 10 10 DGCE Cc1cccnc1/C=C\C(=O)NCc1cc(Cl)ccc1O 1557386094 CMOPDNOQSKNTQX-ALCCZGGFSA-N 302.761 3.079 10 10 DGCE C[C@H]1C[C@@H](C)C[C@H](CNC(=O)N2Cc3cccc(O)c3C2)C1 1565044305 KMKWTGXXNMITHU-WDNDVIMCSA-N 302.418 3.490 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)NC[C@@H](O)C(C)C)c1 1629995776 KLLLXCUAIILBPT-GOSISDBHSA-N 314.429 3.149 10 10 DGCE CC[C@@H](NC(=O)c1cccc(O)c1O)c1cc(F)ccc1OC 1638715518 BODKHTYWWUIRSK-CYBMUJFWSA-N 319.332 3.127 10 10 DGCE CCN(C)c1ccc(CN2CCC[C@H](CCC(=O)OC)C2)cc1 1654691880 BQJVOZAQPQHKFB-MRXNPFEDSA-N 318.461 3.308 10 10 DGCE Cc1cc(CN2CCO[C@@](C)(C(F)(F)F)C2)ccc1N(C)C 1659853850 OYBUSWKLMVNFPA-OAHLLOKOSA-N 316.367 3.214 10 10 DGCE O=C(NCc1c(F)cc(F)cc1F)N1Cc2cccc(O)c2C1 1685172361 WUIPJZCCAHLWLK-UHFFFAOYSA-N 322.286 3.035 10 10 DGCE CCCCN(O)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C 1686826348 GHCVMDZUPLHJMY-CQSZACIVSA-N 307.438 3.193 10 10 DGCE O=C(O)C=Cc1ccc(N2CC[C@@H]3C[C@@H]3C2)cc1Br 1911871983 HGZZWFMHMFALAI-VXGBXAGGSA-N 322.202 3.393 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN(S(=O)(=O)c2ccccc2Cl)C1 1912199560 UOYHXYMIOWGGLF-SNVBAGLBSA-N 314.798 3.051 10 10 DGCE [N-]=[N+]=NC1CN(C(=O)c2cccc(OCc3ccccc3)c2)C1 1912200455 HVLQJVBUIRLPRC-UHFFFAOYSA-N 308.341 3.400 10 10 DGCE [N-]=[N+]=NC1CN(C(=O)c2ccc(OCc3ccccc3)cc2)C1 1912204764 YDOKVMGVDQUWKJ-UHFFFAOYSA-N 308.341 3.400 10 10 DGCE CNCc1ccc(N(Cc2ccccc2)[C@H](CO)C2CC2)c(C)c1 1915149663 SQGNLEYTQBOOFL-OAQYLSRUSA-N 324.468 3.492 10 10 DGCE CC(C)(C)NCc1ccc(N2CC(F)C2)cc1Br 1917016358 IVLMDGHIZGAPRE-UHFFFAOYSA-N 315.230 3.495 10 10 DGCE Nc1snnc1-c1nc(-c2ccc3sccc3c2)no1 1923224599 KVKGIKXAVUJXQV-UHFFFAOYSA-N 301.356 3.052 10 10 DGCE CCC1(F)CN(c2ccc([C@@H](C)O)cc2Br)C1 1944791081 RHZZCUDREJXMHI-SECBINFHSA-N 302.187 3.441 10 10 DGCE CCSC1CN(c2ccc(CNC)cc2Br)C1 1948314650 PWSJANQONQTPSN-UHFFFAOYSA-N 315.280 3.110 10 10 DGCE CN1CCc2cc([C@]3(O)CC[C@H]3OCc3ccccc3)ccc21 1977940404 ZNCFZZGYABLUOL-WOJBJXKFSA-N 309.409 3.246 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@H]2[C@H](N)c1ccccc1O 1978356640 PRAYFCMPNHDAJV-SHPPOPEUSA-N 318.417 3.038 10 10 DGCE Cc1cccc(O)c1CNCCc1nccn1Cc1ccccc1 1997962665 IENMTQMUNPHWIZ-UHFFFAOYSA-N 321.424 3.278 10 10 DGCE Cc1cc(N2C[C@@H]3[C@H](CCN3Cc3ccccc3)C2)ccc1CN 2015065553 VQUBXRRSWCUHRI-TZIWHRDSSA-N 321.468 3.164 10 10 DGCE CN(c1ccc(CN)c(Br)c1F)[C@@H]1CC[C@H]2C[C@@H]21 2046861131 FAUDHFRUJUOWSU-INTQDDNPSA-N 313.214 3.282 10 10 DGCE CCCNCc1ccc(N2CC[C@@H]2CF)cc1Br 2063214111 VVNTYLMFRVACMD-CYBMUJFWSA-N 315.230 3.497 10 10 DGCE CN[C@H](c1ccccc1O)[C@@H](O)c1ccccc1Br 2091864101 RFYUKQOQQPDNDO-CABCVRRESA-N 322.202 3.149 10 10 DGCE CNCc1ccc(N(C)[C@@H]2[C@H]3C[C@@H]3[C@H]3C[C@H]32)c(Br)c1 2110320837 ZBCOCJXDDKUJTM-MXOJCPGVSA-N 321.262 3.259 10 10 DGCE CCN[C@@H](c1ccccc1O)c1nn(CC)cc1Br 2124773683 RNMZPKAGLYPCNV-ZDUSSCGKSA-N 324.222 3.070 10 10 DGCE Nc1ccc(NC[C@@H]2CC2(Br)Br)cc1 2209433808 MVYZPSUHVWROGI-ZETCQYMHSA-N 320.028 3.187 10 10 DGCE CC(C)(C)OC(=O)N1CCC=C[C@@]1(C)[C@H](N)c1ccccc1O 2212448302 MDHFVURXBLACKQ-QAPCUYQASA-N 318.417 3.348 10 10 DGCE Cc1cc(Br)c([C@H](NN)c2ccccc2O)s1 2215964189 VMKONXSNKBJVAR-LLVKDONJSA-N 313.220 3.077 10 10 DGCE [N-]=[N+]=NCCCOc1cccc(Br)c1[N+](=O)[O-] 2217366073 ABUIVJYGNRNCEN-UHFFFAOYSA-N 301.100 3.437 10 10 DGCE CSc1ncc(CNCc2cc(C(=O)O)sc2C)s1 2269094003 QGWMKSDWMQXRBS-UHFFFAOYSA-N 314.457 3.223 10 10 DGCE CCC[C@@H](C)OC(=O)C=Cc1ccc(N2CCOCC2)cc1 2297778559 GOYIVFGQNUSHMB-OAHLLOKOSA-N 303.402 3.268 10 10 DGCE Cc1ccc(CN=S2(=O)CCCC2)c(O)c1Br 2307468990 CKGZEEBQTNMDND-UHFFFAOYSA-N 318.236 3.225 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc2c(c1)C(=O)CCC2 2307990028 VJHVVKHDHZZWDS-UHFFFAOYSA-N 323.348 3.269 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)NC1(c2ccccc2)CCC1 2307990237 AVXXUBQXLZZSCF-UHFFFAOYSA-N 309.365 3.307 10 10 DGCE COc1ccc(Br)c(CN[C@H]2CC[C@@H]3C[C@H]23)c1O 2312417187 COBPCAINTYEIBA-PTRXPTGYSA-N 312.207 3.051 10 10 DGCE CO[C@@H](C)CCN(C)Cc1ccc(C)c(Br)c1O 2327570033 YOUCQIANBKFASZ-NSHDSACASA-N 316.239 3.320 10 10 DGCE CCN1N=C(c2ccc(OC)cc2)C(=Cc2ccc(F)cc2)C1=O 2332140349 XVIPBSBHZZXOSF-UHFFFAOYSA-N 324.355 3.484 10 10 DGCE Cn1nc(C(F)F)c(CN2CCC[C@H]2CN=[N+]=[N-])c1Cl 2364904542 DOFLCSOPBOEOMS-ZETCQYMHSA-N 304.732 3.286 10 10 DGCE NC1C[C@@H]2CC[C@H](C1)N2Cc1cc(Cl)cc(Cl)c1O 40749113 JEIUQMWNRIUCKQ-YOGCLGLASA-N 301.217 3.153 10 10 DGCE Cc1cc(OC[C@H](O)COc2ccc(N)cc2)ccc1Cl 51327869 JPBUYWYTHHRFNW-CYBMUJFWSA-N 307.777 3.049 10 10 DGCE C[C@H](NC(=O)CSc1nccs1)c1cccc([N+](=O)[O-])c1 55467292 RNCFCGRBFHLDFA-VIFPVBQESA-N 323.399 3.021 10 10 DGCE C[C@H](Nc1ccc(S(C)(=O)=O)cc1)c1ccc(F)cc1O 62744846 SNIZTNBCXUZZKV-JTQLQIEISA-N 309.362 3.108 10 10 DGCE CN(C)c1ccc2c(c1)[C@@H](CN)N(Cc1ccc(Cl)cc1)C2 71683324 YNXLFJJCNHMLSU-GOSISDBHSA-N 315.848 3.422 10 10 DGCE COCCCN(CCOC)[C@H](C)c1cc(Cl)ccc1O 133099788 FHXZDODDGOGJGG-GFCCVEGCSA-N 301.814 3.092 10 10 DGCE CCc1oc(C(=O)NCc2ccc(N(C)C)c(F)c2)cc1C 151325081 FVOFLHMVTOQQRA-UHFFFAOYSA-N 304.365 3.286 10 10 DGCE Cc1cc(O)c(CN2CCC(CN3CCCC3)CC2)cc1C 151812083 SVFUSFDTUWVREF-UHFFFAOYSA-N 302.462 3.317 10 10 DGCE COc1ccsc1C(=O)N(Cc1ccc(N)cc1)C(C)C 161891056 CREBXAXZKDCBNQ-UHFFFAOYSA-N 304.415 3.390 10 10 DGCE CCN(CC)c1ccc(CNC(=O)Cc2cccc(O)c2)cc1 171260431 XRSKANWMCGJAAF-UHFFFAOYSA-N 312.413 3.097 10 10 DGCE C[C@H]1[C@@H](NCc2ccccc2O)CCCN1C(=O)OC(C)(C)C 189520927 VKDSPHKENGNHLX-ZFWWWQNUSA-N 320.433 3.270 10 10 DGCE CC[C@@H](NC1CC(NC(=O)OC(C)(C)C)C1)c1ccccc1O 227578000 WZSCMUADXRDJIB-SSDMNJCBSA-N 320.433 3.489 10 10 DGCE CCN(Cc1cc(Cl)cc(OC)c1O)[C@@H]1CCC[C@@H]1CN 229104143 HMRJHONINKJZPE-BXUZGUMPSA-N 312.841 3.004 10 10 DGCE CCN[C@H](C)c1ccc(N2C[C@@H]3CC[C@@H](O)[C@H]3C2)c(Cl)c1 252850756 FJYKIZKJMFPZQF-LRCAOYNASA-N 308.853 3.218 10 10 DGCE Cc1noc([C@H]2CCCN2Cc2cc(Cl)cc(C)c2O)n1 289717684 GYVOYGUGEGBEMV-CYBMUJFWSA-N 307.781 3.383 10 10 DGCE COc1cc(Cl)c(C)cc1NC(=O)COc1ccc(N)cc1 316606880 JMNNTXLXKJLWCI-UHFFFAOYSA-N 320.776 3.257 10 10 DGCE Oc1ccc(F)cc1CNCc1coc(Br)c1 383283928 YSEUWCTULNQTME-UHFFFAOYSA-N 300.127 3.177 10 10 DGCE CCO[C@@]1(C)C[C@H]1N[C@H](C)c1cc(Br)ccc1O 527983206 WXGJJXZONMAOEX-FZQKWOKYSA-N 314.223 3.373 10 10 DGCE O=C(NCc1ccccc1O)[C@H]1[C@H]2c3cccc(Cl)c3C[C@H]21 528855197 PLEQQKJPYPKTKR-XOKHGSTOSA-N 313.784 3.248 10 10 DGCE COCCn1c(C)c(C)c2cc(C(=O)N3CC(C)(F)C3)ccc21 684326536 ZDKXGPCBPRHAOS-UHFFFAOYSA-N 318.392 3.089 10 10 DGCE Oc1ccc(Cl)cc1CN1CCO[C@H](CC(F)(F)F)C1 698221351 LVNCWFWEFWSBIF-LLVKDONJSA-N 309.715 3.199 10 10 DGCE C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@]1(C)C(=O)O 710280060 REIPCLLIEAQNGM-RTHLEPHNSA-N 318.200 3.242 10 10 DGCE N[C@@H]1CC=C(CN2CCCc3cccc(Br)c32)C1 713303288 SRCSMHFPDHXGMT-CYBMUJFWSA-N 307.235 3.249 10 10 DGCE Oc1cccc2c1[C@H](NCC1CN(Cc3ccccc3)C1)CC2 716268956 IPQAGEDITZNVEB-GOSISDBHSA-N 308.425 3.101 10 10 DGCE Cc1nccn1CCCN(C)C/C=C\c1ccc(N(C)C)cc1 835052495 DPFWROYBOGXRIB-ALCCZGGFSA-N 312.461 3.293 10 10 DGCE CCCN(c1ccc(CN)cc1)[C@@H]1C[C@@H](OCC)[C@H]1SC 839055901 HMXIHUYZJHNQAX-ZACQAIPSSA-N 308.491 3.271 10 10 DGCE Cc1cc(O)c(CNC[C@H](C)Cn2ccnc2C)c(Cl)c1 840891953 GQUXUQQHQBNSRE-LBPRGKRZSA-N 307.825 3.285 10 10 DGCE CC[C@@H](NC[C@@](C)(CO)OC)c1cc(Cl)cc(Cl)c1O 848556400 WRULUBMYRATZON-OCCSQVGLSA-N 322.232 3.137 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)c3ccccc3C)C2)cc1 855235095 WZMSYKUMYFRBRO-HNNXBMFYSA-N 310.397 3.012 10 10 DGCE CCC[C@@H](C)[C@H](CO)NCc1c(O)cccc1Br 858184614 NJFDZCIVKOMGNK-MFKMUULPSA-N 316.239 3.041 10 10 DGCE CN(C)c1cc(F)c(CNCCC2SCCS2)cc1F 858195200 RNGFWFSEFBJKBW-UHFFFAOYSA-N 318.458 3.317 10 10 DGCE Oc1cc2c(cc1CN[C@@H]1CCc3c(F)cccc31)OCO2 886364077 NYTZRRPZTGSPEK-CQSZACIVSA-N 301.317 3.037 10 10 DGCE CN(C)c1ccc(/C=C\CN2CC[C@H]([C@H]3CCCO3)C2)cc1 895842613 ICZHRNQUDZEYTO-VAIVQVOGSA-N 300.446 3.267 10 10 DGCE c1cc2c(cc1N(C[C@@H]1CCCO1)C[C@@H]1CCCO1)CCC2 914867438 WFIYHTZKNGWMOT-OALUTQOASA-N 301.430 3.340 10 10 DGCE CCc1cnccc1[C@H](C)NC(=O)NCc1c(O)cccc1F 921789696 XMDCNZWNRFXWRY-NSHDSACASA-N 317.364 3.049 10 10 DGCE C[C@H](N[C@H]1C[C@@](CO)(c2ccccc2)C1)c1ccc(F)cc1O 927157669 QPYJBEJEIMCSMQ-IYJAJMOOSA-N 315.388 3.275 10 10 DGCE O=C(NCc1c(O)cccc1F)c1ccccc1OC1CC1 1156170566 QBBATSOMEYUMOH-UHFFFAOYSA-N 301.317 3.003 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1cc2cccn2cn1 1294681897 YEUFJULCPAPSSE-UHFFFAOYSA-N 309.369 3.092 10 10 DGCE O=C(NCc1c(O)cccc1O)c1scnc1C1CCCC1 1304053216 DUZYHYIEGBHUFM-UHFFFAOYSA-N 318.398 3.142 10 10 DGCE CCC1(C(=O)NCc2c(O)ccc3ccccc23)CCOCC1 1456312138 ZGUJNFJAHRTCQN-UHFFFAOYSA-N 313.397 3.368 10 10 DGCE CC(C)C(=O)c1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 1469616769 ZWNLIGFUCFGOFO-UHFFFAOYSA-N 313.353 3.118 10 10 DGCE O=C(NCc1c(O)cccc1F)c1ccnc(Cl)c1Cl 1471975995 PJUSHWAWJYLOKW-UHFFFAOYSA-N 315.131 3.163 10 10 DGCE COc1cc(NC(=O)c2sccc2-n2c(C)ccc2C)[nH]n1 1584680105 JPGKSAZIMBFUOW-UHFFFAOYSA-N 316.386 3.140 10 10 DGCE CO[C@@H]1C[C@H]1C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C 1596481823 GXQPCJKADGYZTO-QZTJIDSGSA-N 312.413 3.054 10 10 DGCE C[C@@H](NC(=O)c1ncsc1C(F)(F)F)c1ccccc1O 1643738652 KWOSKMWCEOLOCK-SSDOTTSWSA-N 316.304 3.359 10 10 DGCE O=C(NCc1c(O)cccc1O)c1ccc(SC2CC2)cc1 1647270260 PUUQQZKHTNLXEQ-UHFFFAOYSA-N 315.394 3.282 10 10 DGCE Cc1occ(C(F)(F)F)c1C(=O)NCc1c(O)cccc1F 1652298859 RCPAXZHRLYIQFD-UHFFFAOYSA-N 317.238 3.382 10 10 DGCE CCc1ccc(O)c(C(=O)NCc2cccc(Cl)c2O)c1 1653567112 LAFQHSGYJPNYOE-UHFFFAOYSA-N 305.761 3.244 10 10 DGCE COc1ccc(Br)c(CN2CC[C@@H](N=[N+]=[N-])C2)c1 1912154441 MFJYBDCJMPWWSZ-SNVBAGLBSA-N 311.183 3.342 10 10 DGCE [N-]=[N+]=NC1CCN(C(=O)c2nc(Cl)ccc2Cl)CC1 1912158706 YZGVULDOAFGJPK-UHFFFAOYSA-N 300.149 3.303 10 10 DGCE C[C@@H]1C[C@H](N(C)CCc2ccc(N)cc2)CN1Cc1ccccc1 1949210939 XAWFRKUVHNNDJY-UTKZUKDTSA-N 323.484 3.406 10 10 DGCE C[C@@H](Nc1c(N)cccc1F)C1CN(C(=O)OC(C)(C)C)C1 1959367317 WJOQPCGKZDPVID-SNVBAGLBSA-N 309.385 3.075 10 10 DGCE Oc1c(Cl)cccc1CNCc1cc(C(F)(F)F)no1 1967752317 CYSQAJISQZHECI-UHFFFAOYSA-N 306.671 3.342 10 10 DGCE CC[C@](C)(O)CN(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 1977930799 ZQDOLANEIRCSIK-SFHVURJKSA-N 322.449 3.309 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccccc2N)[C@@H]2CC[C@H]21 1983875600 YRGJULCLGXZLQL-DUVNUKRYSA-N 317.433 3.469 10 10 DGCE OCc1ccc(N2CC[C@H](CCF)C2)cc1Br 2001380248 KQJHCZYJZRQTGR-JTQLQIEISA-N 302.187 3.127 10 10 DGCE Oc1cc(Br)ccc1CNC[C@H]1CCCCCO1 2035190697 ZCNKOEULOALXTH-CYBMUJFWSA-N 314.223 3.204 10 10 DGCE Cc1nc(CNCc2cccc(Br)c2O)c(C)o1 2042417849 SCIXTFUNCAAOGM-UHFFFAOYSA-N 311.179 3.049 10 10 DGCE CN[C@H](c1ccc(N(C)C)cc1)c1ccc(Br)o1 2044708488 NOLMYIQGILKYHC-CQSZACIVSA-N 309.207 3.417 10 10 DGCE COc1ccc(NC=C2C(=O)N(c3ccccc3)N=C2C)cc1 2053467491 HZKAOHDHAIGURD-UHFFFAOYSA-N 307.353 3.414 10 10 DGCE CC(C)c1nn(Cc2cccc(F)c2O)c(C(F)F)c1CO 2078982871 CPEAHDDMALHNKE-UHFFFAOYSA-N 314.307 3.329 10 10 DGCE C[C@H](N)c1ccc(N2C[C@](C)(F)[C@@](C)(Br)C2)cc1 2084856071 LIPTXZMBWVWICF-BPNCWPANSA-N 315.230 3.408 10 10 DGCE CN(C)c1ccc([C@](C)(O)c2ccncc2Br)cc1 2120097008 QYFMCJAKIVSRKN-HNNXBMFYSA-N 321.218 3.166 10 10 DGCE CCCc1cc(O)nc(Sc2ncc([C@@H](C)NC)s2)n1 2159809502 QFBRAAZWYLNMNA-MRVPVSSYSA-N 310.448 3.023 10 10 DGCE CCNCc1cc(F)c(N(C)[C@@H]2CS[C@@H](C)C2)c(F)c1 2189463178 SYKWZPCOTNXKNX-JQWIXIFHSA-N 300.418 3.405 10 10 DGCE C[C@H](O)c1ccc(N(C)C[C@@H](F)[C@H]2CCOC2)cc1Cl 2238343273 MUKWIVYNJZMEQX-ZIBATOQPSA-N 301.789 3.204 10 10 DGCE Oc1cc(O)c(CNCc2cccs2)cc1Br 2248029004 RZUOCRMLTDBTDG-UHFFFAOYSA-N 314.204 3.212 10 10 DGCE COc1ccc(Br)c(NCCc2ccc(N)cc2)n1 2265850113 VLAMXYGRQRSBIP-UHFFFAOYSA-N 322.206 3.090 10 10 DGCE CCNCc1ccc(N2CC(P(C)(C)=O)C2)cc1Cl 2270657476 YAMYCXQPTSEAPP-UHFFFAOYSA-N 300.770 3.261 10 10 DGCE CSc1ncc(CN2C[C@H](CNC(C)(C)C)[C@@H](C)C2)s1 2284721089 BMHFEIIADWMWOI-RYUDHWBXSA-N 313.536 3.321 10 10 DGCE CP(C)(=O)C1CN(c2ccc(CO)cc2C(F)(F)F)C1 2286169944 RNBRRRCBXLULNO-UHFFFAOYSA-N 307.252 3.009 10 10 DGCE CNCc1ccc(N(C)[C@H]2CC[C@@H]3C[C@H]23)c(Br)c1 2309068220 CLZCOPPKXUUZCM-DYEKYZERSA-N 309.251 3.403 10 10 DGCE Oc1c(Br)cccc1CNC[C@@H]1C[C@H]2C=C[C@@H]1C2 2309751879 UPZKFBHGSZZIES-LOWVWBTDSA-N 308.219 3.457 10 10 DGCE C[C@@H](CCSCC(=O)N(C)c1ccc(N)cc1)C(F)F 2363910420 KRJNBMBRCFIPRL-JTQLQIEISA-N 302.390 3.256 10 10 DGCE Cc1ccc([S@@](=O)CCCOc2ccc(N)cc2)cc1C 40962492 OMPNZJVHPOGAKI-OAQYLSRUSA-N 303.427 3.462 10 10 DGCE CCCN[C@@H]1CCN(c2ccc(OC)c(Br)c2)C1 88320439 GPZGXOSLBCDZGL-LLVKDONJSA-N 313.239 3.036 10 10 DGCE C[C@@H]1SCCN(c2ccc(CN)c(C(F)(F)F)c2)[C@@H]1C 132158797 YUZKWFMHAPUYLO-ZJUUUORDSA-N 304.381 3.494 10 10 DGCE [N-]=[N+]=NCCCNC(=O)c1cccc(Br)c1F 236260093 WOZJYESSKVGQBM-UHFFFAOYSA-N 301.119 3.018 10 10 DGCE CC(C)[C@H](C(=O)Nc1ccc(N)cc1)N1[C@@H](C)CCC[C@H]1C 252199246 SXRWLWMSZUXRFJ-JKIFEVAISA-N 303.450 3.495 10 10 DGCE CC[C@H](c1cc(Br)ccc1O)N1CC[C@](C)(N)C1 405861663 IVAGGZKQRWZOJZ-OCCSQVGLSA-N 313.239 3.029 10 10 DGCE C[C@@H]1CN(c2ccc(OC(F)(F)F)cc2Cl)CC[C@@H]1N 699643285 DYWYTOKONLMCNM-KCJUWKMLSA-N 308.731 3.412 10 10 DGCE O=C(CCCCC(=O)c1ccccc1)NCc1ccccc1O 748344822 CMTZIWWMVMCHBN-UHFFFAOYSA-N 311.381 3.452 10 10 DGCE C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CC1(C)C 785433122 DFSLZJWHSJVWRZ-XJKSGUPXSA-N 320.452 3.311 10 10 DGCE CCN(CC)c1ccc(CNc2cn(C)nc2OC)cc1F 788972298 XTFVRLVVNKCGEU-UHFFFAOYSA-N 306.385 3.026 10 10 DGCE O[C@]1(C2CC2)CCCN(Cc2ccc(N3CCCCC3)cc2)C1 827151921 NGICXRWTBQHBGI-HXUWFJFHSA-N 314.473 3.414 10 10 DGCE CCc1cnc(CCN[C@@H](C)c2cccc(OC)c2O)s1 846149425 ZHJVYDZSBRPSTH-NSHDSACASA-N 306.431 3.313 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)C1CC2(C1)CC2(F)F 855022812 JZQYZAWPMUBJPR-UHFFFAOYSA-N 301.720 3.097 10 10 DGCE CC[C@@H](N[C@@H]1C(=O)N(C)Cc2ccccc21)c1ccc(C)cc1O 857876937 ISINWAFVICWKEJ-MJGOQNOKSA-N 324.424 3.455 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NCc1ccnc(F)c1 858179017 DTKDPEQOPMTHLA-AWEZNQCLSA-N 301.409 3.316 10 10 DGCE CCOc1cc(F)cc(CNCc2ccc3c(c2)CCO3)c1 865440512 INFRYHPTUKVXKI-UHFFFAOYSA-N 301.361 3.449 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)c1ccnc(C2CC2)c1 1162613171 XXQOPTDAQSSNGU-UHFFFAOYSA-N 319.364 3.143 10 10 DGCE O=C(NCc1cccc(Cl)c1O)c1ccc(Cl)cc1O 1180409884 HPIIXUBYEDZSKM-UHFFFAOYSA-N 312.152 3.335 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1C[C@@H]1Cc1ccccc1 1264009200 LPLREGPENZHPDH-NNTYKDFWSA-N 323.392 3.106 10 10 DGCE O=C(/C=C\c1cccnc1)N1CCCCc2cc([N+](=O)[O-])ccc21 1278875692 YZHMEROGWMEXRX-TWGQIWQCSA-N 323.352 3.373 10 10 DGCE O=C(CCc1ccc2ccccc2n1)N1Cc2cccc(O)c2C1 1471355893 ZMEZSNKGPGEOCE-UHFFFAOYSA-N 318.376 3.415 10 10 DGCE Cc1ccc(F)c(N)c1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 1567778728 JXCVTJFWUFJLGZ-GFCCVEGCSA-N 315.392 3.273 10 10 DGCE C[C@@H](NC(=O)c1cccc(O)c1O)c1ccc2c(c1)CCCC2 1611193654 BNKAVOQXKINEIE-GFCCVEGCSA-N 311.381 3.468 10 10 DGCE C[C@H](NC(=O)c1cccn1Cc1ccncc1)c1ccccc1O 1632250271 OPVMOMJXBFONEY-AWEZNQCLSA-N 321.380 3.128 10 10 DGCE CN(C)c1ccc(CN2CCOc3c2ccc(F)c3F)cc1 1643450370 TVFWZQKWBZWIJO-UHFFFAOYSA-N 304.340 3.430 10 10 DGCE Cc1ccn(-c2ccc(C(=O)N[C@@H](C)c3ccccc3O)cc2)n1 1643742180 RZWDRWZJABBOLK-AWEZNQCLSA-N 321.380 3.377 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N1CCCC[C@H]1CC1CCC1 1646257422 GNQAZMCBLUTSBP-HNNXBMFYSA-N 303.402 3.212 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1C[C@@H](C)[C@H](C)C1 1673745067 RAWAGXTUISJNRZ-OAGGEKHMSA-N 317.477 3.289 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1Nc1c(N)cccc1Cl 1885271037 JDEBKOTYWFBHLE-CABZTGNLSA-N 311.813 3.247 10 10 DGCE CC[C@@H]1C[C@H]([C@@H](N)c2ccccc2O)N(C(=O)OC(C)(C)C)C1 1894361194 UHMCFFCJNQSURQ-XPKDYRNWSA-N 320.433 3.428 10 10 DGCE C[C@H](NCC=CCNC(=O)OC(C)(C)C)c1cc(F)ccc1O 1911669786 KOHADDNWWVHWIS-LBPRGKRZSA-N 324.396 3.263 10 10 DGCE CNCc1ccc(N(Cc2ccccc2)C2COC2)cc1Cl 1915645097 BTEBOWBVDKTPCT-UHFFFAOYSA-N 316.832 3.465 10 10 DGCE C[C@@H]1CN(CCCCN=[N+]=[N-])C[C@@H](C)N1C(=O)OC(C)(C)C 1962301174 UNOKLSOCYDWQIH-CHWSQXEVSA-N 311.430 3.407 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2CCCN(CCCCN=[N+]=[N-])[C@H]2C1 1982246475 VPZOFGJVPLWDRJ-KBPBESRZSA-N 323.441 3.408 10 10 DGCE CN(C(=O)OC(C)(C)C)C1(CNCc2ccc(F)cc2O)CC1 1994524759 OBSFHAFDGIPCBR-UHFFFAOYSA-N 324.396 3.020 10 10 DGCE CO[C@@H](C)CCN(C)c1ccc([C@@H](C)O)c(Br)c1 2059359416 MLZWGVYBEBRAAY-WDEREUQCSA-N 316.239 3.364 10 10 DGCE Oc1cc(Br)ccc1CNC[C@@H]1C2C[C@@H]3C1[C@@H]3C2 2070870338 JOWOUYLUFULMGG-PGVUQOPBSA-N 308.219 3.146 10 10 DGCE Cc1ccc(Br)cc1[C@H](O)[C@H](N)c1ccccc1O 2098636101 KFZFAYZGXZYFTI-CABCVRRESA-N 322.202 3.197 10 10 DGCE Oc1cccc(Br)c1CNCc1coc(C2CC2)n1 2104283383 HJSKTJQJNCKMFK-UHFFFAOYSA-N 323.190 3.310 10 10 DGCE C[C@H](N)c1ccc(N(C)Cc2cccn2C)cc1Br 2114548693 DRKRAJUYTRYUQK-NSHDSACASA-N 322.250 3.444 10 10 DGCE C[C@@H](N)c1ccc(N(C)Cc2c(Cl)ncn2C)cc1Cl 2168138722 DKENJWWSONMBOR-SECBINFHSA-N 313.232 3.383 10 10 DGCE COCCNCc1ccc(N2CCC[C@@H]2CF)cc1Cl 2171804962 JRZDMEOHUJCJCP-CQSZACIVSA-N 300.805 3.014 10 10 DGCE CCCN[C@]1(C(=O)O)C[C@@H](Sc2nccs2)CC[C@@H]1C 2175746039 LKZMRRYFHCDXLQ-COPLHBTASA-N 314.476 3.247 10 10 DGCE CCC[C@@H]1C[C@@H](N(C)c2cc(Cl)c(CN)cc2F)CO1 2185706513 QNUZHIHMKJKARV-VXGBXAGGSA-N 300.805 3.332 10 10 DGCE Cc1cncc(C=CC(=O)NCCCSc2nccs2)c1 2302468209 BZHKTIJWTIYBPY-UHFFFAOYSA-N 319.455 3.158 10 10 DGCE CCCN(Cc1ccc(C)c(Br)c1O)C[C@H](C)O 2327623451 HZDZHUWPMGRPES-NSHDSACASA-N 316.239 3.056 10 10 DGCE COc1ccc(C2=NN(C)C(=O)C2=Cc2cccc(F)c2)cc1 2332140713 DKHNYKLPUONSDW-UHFFFAOYSA-N 310.328 3.094 10 10 DGCE Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CC[C@@H](O)C2(C)C 14719980 PTDUBPDLRWKSBQ-CYBMUJFWSA-N 310.349 3.219 10 10 DGCE biogenic,in-vitro Cc1cccc(O)c1NC1=NC(=O)/C(=C/c2ccncc2)S1 39869797 PMNZHXQIDBOWNN-LCYFTJDESA-N 311.366 3.178 10 10 DGCE COc1cc(Cl)c([C@@H](O)COc2ccc(N)cc2)cc1OC 40352075 IRGPYOHXPALLHJ-AWEZNQCLSA-N 323.776 3.052 10 10 DGCE Cc1cc2c(n1-c1ccc(Br)cn1)CCC[C@@H]2N 41729321 ILMJRSHBKANDPZ-LBPRGKRZSA-N 306.207 3.279 10 10 DGCE CCC(CC)NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 53955427 DQUXSRPCKOEHOJ-INIZCTEOSA-N 320.433 3.271 10 10 DGCE Nc1ccc(OCCCn2cnc3cc(Cl)cnc32)cc1 57878967 CVGPOQNDMIWVJO-UHFFFAOYSA-N 302.765 3.136 10 10 DGCE c1coc([C@H]2CCCN2Cc2ccc(N3CCOCC3)cc2)c1 93335163 PHBZYJHMMHWQFF-GOSISDBHSA-N 312.413 3.453 10 10 DGCE CCCOc1ccc([C@@H]2NC(=O)c3cccc(C)c3N2)c(O)c1 131079926 XTUOVLDDJWSAFF-KRWDZBQOSA-N 312.369 3.344 10 10 DGCE COc1cccc(Cl)c1C(=O)NCc1ccc(N(C)C)cc1 172697078 PYXYPOIARHHLRK-UHFFFAOYSA-N 318.804 3.345 10 10 DGCE CC(=O)N(C(=O)NCc1ccccc1Cl)c1ccc(N)cc1 217314066 BMWSTKKDONBHDK-UHFFFAOYSA-N 317.776 3.185 10 10 DGCE CNCc1ccc(N2C[C@H](C)OC[C@@H]2C)c(C(F)(F)F)c1 227706402 IIBILLJLPANQPF-QWRGUYRKSA-N 302.340 3.038 10 10 DGCE Cc1csc(C(=O)NCCOc2ccc(N)cc2)c1Cl 235960682 RLRSLKISNFSRMJ-UHFFFAOYSA-N 310.806 3.101 10 10 DGCE C[C@H](N[C@@H]1CCO[C@@]2(CCSC2)C1)c1ccc(N(C)C)cc1 246569841 XVWIDHYURJXJHZ-LESCRADOSA-N 320.502 3.458 10 10 DGCE Oc1cc(F)c(Cl)cc1CN1CC[C@H](CN2CCCC2)C1 295436023 UDWAKAXUSWELQK-GFCCVEGCSA-N 312.816 3.102 10 10 DGCE COC(=O)c1ccc(O)c([C@H](C)NCCCC(C)(F)F)c1 297161922 CXUKYALKGQMSJX-JTQLQIEISA-N 301.333 3.265 10 10 DGCE Cc1cc(Cl)cc(CN2CC[C@H](c3nccn3C)C2)c1O 367708587 VFIHQAIVTLYGKQ-LBPRGKRZSA-N 305.809 3.077 10 10 DGCE Oc1ccccc1CNC1CCN(CCc2ccccc2)CC1 378907234 GAZNAHDHQBZJNL-UHFFFAOYSA-N 310.441 3.189 10 10 DGCE CCCNCc1ccc(N2CC(OC(F)F)C2)cc1Cl 398940176 JKDDDCJIZGUKMU-UHFFFAOYSA-N 304.768 3.267 10 10 DGCE CC[C@@H]1COC[C@@H]1N(C)Cc1c(O)cccc1Br 707171271 JLWXXLFPELUSJC-MFKMUULPSA-N 314.223 3.012 10 10 DGCE CC(C)(C)NC(=O)CN(Cc1ccccc1O)C1CCCC1 732204827 SXECJAREKLBJGX-UHFFFAOYSA-N 304.434 3.052 10 10 DGCE O=C(Nc1csc(-c2ccccn2)n1)c1cc(O)cs1 753466199 QUZSVHZNMLQAQC-UHFFFAOYSA-N 303.368 3.225 10 10 DGCE COc1ccc(O)c([C@H](C)NCCC[C@H]2CCCC[C@@H]2O)c1 756762205 WOFLTMWNVILBSH-VBQJREDUSA-N 307.434 3.383 10 10 DGCE COCC[C@@H](COC)N[C@H](C)c1ccc(N2CCCCC2)cc1 810257207 NEUPWFWMMJWOKW-AEFFLSMTSA-N 320.477 3.379 10 10 DGCE CCC1(CC)CN(Cc2ccc(N(C)C)c(C)c2)CC[S@@]1=O 815094929 PTJQREQDHWOIIO-QFIPXVFZSA-N 322.518 3.184 10 10 DGCE CN(Cc1ccccc1O)C(=O)NC[C@@H]1CC12CCSCC2 817786624 XHIWHLQDXVCQGR-AWEZNQCLSA-N 320.458 3.067 10 10 DGCE COc1cc2c(cc1F)CC[C@H]2NCCc1ccc(N)cc1 817957724 OSAFHOVFCLSMRI-QGZVFWFLSA-N 300.377 3.236 10 10 DGCE CC[C@H](N[C@@H]1CNCC[C@@H]1C)c1ccc(C(F)(F)F)cc1O 817969520 VWDJPONNEHHOJN-LEWSCRJBSA-N 316.367 3.450 10 10 DGCE COC(=O)[C@@H]1CCCC[C@@H]1NCc1c(O)ccc(Cl)c1F 824853597 HDGZKGSHWZDPMA-SKDRFNHKSA-N 315.772 3.006 10 10 DGCE CC1(C)Cc2n[nH]cc2CN(Cc2cc(Cl)c(F)cc2O)C1 828014108 UKYWZOOOVVUHMG-UHFFFAOYSA-N 323.799 3.492 10 10 DGCE C[C@H](N[C@H]1CCn2ccnc21)c1cc(Br)ccc1O 834831387 JJIHYLOAUDEJNQ-CABZTGNLSA-N 322.206 3.147 10 10 DGCE CCOCc1cc(CNCC2(N)CCCCCC2)ccc1OC 841043397 PXCSRJOXDPFICC-UHFFFAOYSA-N 320.477 3.373 10 10 DGCE CN(Cc1cc2c(cc1O)CCC2)C[C@@](C)(O)c1ccccc1 842628451 VPAISBUEMQYYPL-HXUWFJFHSA-N 311.425 3.220 10 10 DGCE COc1ccc(N(C)CCN(C)Cc2ccc(F)nc2C)cc1 846052898 UQHYJLZVDBHMOU-UHFFFAOYSA-N 317.408 3.106 10 10 DGCE COc1cccc([C@@H](C)N[C@H](CO)c2sccc2C)c1O 846155230 RXUCHGUSOZQZPY-DGCLKSJQSA-N 307.415 3.155 10 10 DGCE Cc1cc(CN2C[C@@H]3COC[C@@]3(C)C2)c(O)c(C(C)(C)C)c1 853565087 AFJLZWOLGJGARC-DNVCBOLYSA-N 303.446 3.466 10 10 DGCE Cc1cc(Br)c(O)c(CN[C@@H]2C[C@@H](C)O[C@H]2C)c1 865690135 WERYCQCSIZZWTI-GBIKHYSHSA-N 314.223 3.119 10 10 DGCE CCC1(N2CCC2)CCN(Cc2cc(Cl)ccc2O)CC1 895827905 OPJIRKFTRUOZGW-UHFFFAOYSA-N 308.853 3.496 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCC=CCCC1 907274076 OJTGVWDHGHFUKW-ZFWWWQNUSA-N 303.402 3.282 10 10 DGCE COc1ccc2c(c1)CCCCN2Cc1noc2c1COCC2 930141470 BNDWLEYDPMIDSC-UHFFFAOYSA-N 314.385 3.099 10 10 DGCE c1ccc([C@@]2(CNCc3ccc4c(c3)CCO4)CCCO2)cc1 1203783183 RLQVPVMUTAGNMV-FQEVSTJZSA-N 309.409 3.417 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)NCc2ccccc2Cl)cc1 1290107372 JJLASDIVOOHQKK-UHFFFAOYSA-N 316.748 3.432 10 10 DGCE C[C@@H](NC(=O)N[C@@H]1CC=CC[C@H]1C)c1ccc(N(C)C)cc1 1312534692 GTKQJSSWFRIPKO-CKEIUWERSA-N 301.434 3.468 10 10 DGCE COC(=O)c1cnc(Sc2ncnc3sc(C)cc23)s1 1458394043 XWKJEWHKJDOFQS-UHFFFAOYSA-N 323.424 3.394 10 10 DGCE O=C(CCOc1ccccc1Cl)NCc1c(O)cccc1F 1471974814 LCGBJAMPILYBRR-UHFFFAOYSA-N 323.751 3.270 10 10 DGCE CN1CCN(C(=O)/C=C\c2cccnc2)c2ccc(Cl)cc21 1534211547 QSJQTEBDEKWPNU-DAXSKMNVSA-N 313.788 3.231 10 10 DGCE O=C(Cc1coc2c(F)c(F)ccc12)NCc1ccccc1O 1566373868 JEBIXOHOXSDGFW-UHFFFAOYSA-N 317.291 3.276 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2csc(CC(C)C)n2)c1 1584983641 OAAGUGORYWOLLD-UHFFFAOYSA-N 304.415 3.286 10 10 DGCE CCN(CC)c1ccc(CNC(=O)c2ccc(F)cc2N)cc1 1625014059 KMJGQOUFDZWNKW-UHFFFAOYSA-N 315.392 3.184 10 10 DGCE CSc1cc(NC(=O)Cc2ccc(O)c(O)c2)ccc1C 1628283357 UZJCJJMOFZKIHM-UHFFFAOYSA-N 303.383 3.309 10 10 DGCE Cc1ccc(C(=O)Nc2cc(-c3ccccc3)[nH]n2)c(O)c1O 1640244002 DLYJCRNHEYETAF-UHFFFAOYSA-N 309.325 3.049 10 10 DGCE CN(Cc1ccccc1O)Cc1sncc1Br 1642072249 WQRQPNKWEDMTJO-UHFFFAOYSA-N 313.220 3.243 10 10 DGCE O=C(NCc1cc(F)ccc1OC(F)F)c1cc(O)cs1 1642286608 GZHBGQJIGRQQOG-UHFFFAOYSA-N 317.288 3.124 10 10 DGCE CCOc1ccc(N(CCCN2CCOCC2)CC2CC2)cc1 1648030752 UZBFYQIDDLEBRE-UHFFFAOYSA-N 318.461 3.024 10 10 DGCE O=C(NCc1c(O)cccc1F)NCc1cccc2[nH]ccc12 1684797385 TWAIQFKWCQXCHZ-UHFFFAOYSA-N 313.332 3.012 10 10 DGCE CNCc1ccc(N(Cc2ccccc2)C[C@H](C)O)cc1Cl 1914634184 REJQECJAUUTMSB-AWEZNQCLSA-N 318.848 3.447 10 10 DGCE Cc1ccc(O)c(CNCCc2ccncc2Br)c1 1927138494 DOUYLNWZMQYTDQ-UHFFFAOYSA-N 321.218 3.190 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H](N)[C@@H]1c1cc(Cl)ccc1O 1952306384 LJOGUVHXUIEOEU-YPMHNXCESA-N 312.797 3.055 10 10 DGCE Oc1cc(F)ccc1CNCc1cnc(C(F)(F)F)s1 1967713635 PSSDUQATKZPECG-UHFFFAOYSA-N 306.284 3.296 10 10 DGCE CC(C)c1c[nH]nc1CNCc1cccc(Br)c1O 1967870248 PIKROEMBSRKPRX-UHFFFAOYSA-N 324.222 3.291 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H]2CN(CCCN=[N+]=[N-])CC[C@H]21 1982241703 INMJSRHYDCEAGG-ZIAGYGMSSA-N 323.441 3.408 10 10 DGCE C[C@@H](NCC1(Br)CCC1)c1ccc(F)cc1O 2002766475 FDDJTOAXRSWSQH-SECBINFHSA-N 302.187 3.500 10 10 DGCE C[C@@H](O)c1ccc(N(C)C[C@@H]2C[C@H]2F)cc1Br 2014704491 HWLOKYUQMPYIOI-VYUIOLGVSA-N 302.187 3.297 10 10 DGCE CN[C@@H](c1ccc(N(C)C)cc1)c1ccn(Cc2ccccc2)n1 2022172408 GLPBYKVIILFTDG-FQEVSTJZSA-N 320.440 3.306 10 10 DGCE C[C@H]1CCOC[C@H]1N(C)Cc1c(O)cccc1Br 2035132034 PKDDSNRUPAAIQU-GXFFZTMASA-N 314.223 3.012 10 10 DGCE COC(=O)c1cc(CC(C)C)nn1Cc1c(O)cccc1Cl 2070009715 LCUSQDOGWLWTCS-UHFFFAOYSA-N 322.792 3.276 10 10 DGCE CCc1nn(Cc2cccc(F)c2O)c(C(F)(F)F)c1O 2078852140 MZCLAXBZSOLOMH-UHFFFAOYSA-N 304.243 3.063 10 10 DGCE Cc1ocnc1CN(C)c1ccc([C@@H](C)N)cc1Br 2104084976 RGXZJUKMGFIVPG-SECBINFHSA-N 324.222 3.402 10 10 DGCE CCc1cccc(CNCc2cc(Br)ccc2O)n1 2121953661 HCVDTOMKCDOGPG-UHFFFAOYSA-N 321.218 3.402 10 10 DGCE CO[C@@H]1CN(c2ccc(CNC(C)C)cc2Cl)C[C@H]1F 2146483477 GCDVHVSRFLLVLX-UKRRQHHQSA-N 300.805 3.011 10 10 DGCE CC(C)N(C[C@H]1CCOC1)c1cc(Cl)c(CN)cc1F 2177379614 ZZLXOCKROULVSA-LLVKDONJSA-N 300.805 3.189 10 10 DGCE CN[C@@]1(C(=O)O)C[C@H](Sc2nccs2)CC2(CCC2)C1 2183538522 MXQNFEMPEBLYLP-YGRLFVJLSA-N 312.460 3.001 10 10 DGCE CC(C)N[C@](CSc1nccs1)(C(=O)O)C1CCCC1 2208182347 DXLXDPCCUZCZLL-AWEZNQCLSA-N 314.476 3.247 10 10 DGCE CSc1ncc(CN2C[C@@H](C(C)C)NC[C@H]2C(C)C)s1 2284676274 HIUZFFKAEOXMQZ-KBPBESRZSA-N 313.536 3.319 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCC[C@H]2CCNC[C@@H]21 2290258005 CCSWVHKXPSKCGX-HZMBPMFUSA-N 315.244 3.273 10 10 DGCE Cc1cc(C=CC(=O)N2CCC[C@H](O)C2)c(C)n1-c1ccccc1 2296715003 HFEWPNAZVQQFBN-IBGZPJMESA-N 324.424 3.091 10 10 DGCE O=C1NC(=S)SC1=Cc1ccc(F)c(Br)c1 2297298210 PZBCKNQSIWJKIE-UHFFFAOYSA-N 318.192 3.077 10 10 DGCE CC1=NN(c2ccccc2)C(=O)C1=CNc1ccccc1C(=O)O 2297532159 ZRGRODYQPGDTGT-UHFFFAOYSA-N 321.336 3.103 10 10 DGCE COCCC(C)(C)NCc1ccc(C)c(Br)c1O 2327798306 FSKDIWAEZUPUGS-UHFFFAOYSA-N 316.239 3.368 10 10 DGCE C[C@H](N)c1ccc(N2CCN(CC(F)(F)F)CC2)c(Cl)c1 61941580 SEMITCQSTDEZOY-JTQLQIEISA-N 321.774 3.044 10 10 DGCE CCOc1ccc(O)c(CN2CCO[C@@H](c3ccc(C)o3)C2)c1 93865052 LLORYWWBZQGODY-GOSISDBHSA-N 317.385 3.266 10 10 DGCE COc1ccc(CNC(C)(C)C)cc1CSCCN(C)C 95021654 BIMCBFHKQKJPGS-UHFFFAOYSA-N 310.507 3.378 10 10 DGCE Cc1cc(N(C)C)ccc1CNC1CCN(c2ccccn2)CC1 122742960 PADAGHIZZDOMJI-UHFFFAOYSA-N 324.472 3.215 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)C2CCCC2)c1 172194432 HDWSXHJRQAAOOJ-RYUDHWBXSA-N 306.406 3.340 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1C[C@@H]1c1ccccc1 180771431 FCDWNAWUFZOIRS-JDFMTEHDSA-N 309.365 3.031 10 10 DGCE CSC[C@@H](C)N(C)c1ccc(CN)c(Br)c1 228155307 OHJZKDHSPSKWBL-SECBINFHSA-N 303.269 3.096 10 10 DGCE CCCN(Cc1cc(Cl)cc(OC)c1O)[C@@H]1CCCNC1 229103637 QNAVMZCBCWMPKG-CQSZACIVSA-N 312.841 3.018 10 10 DGCE CN(C(=O)c1cccc(Br)c1F)c1ccc(N)cc1 234233764 KYGNIVPHEIOEBO-UHFFFAOYSA-N 323.165 3.447 10 10 DGCE CCCCN(CCC)C(=S)N(C(C)=O)c1ccc(N)cc1 242941627 HBUPYHQJNHPDGM-UHFFFAOYSA-N 307.463 3.419 10 10 DGCE CCC[C@H](C)OC(=O)/C=C\c1ccc(N2CCOCC2)cc1 255343634 GOYIVFGQNUSHMB-XMELGKRDSA-N 303.402 3.268 10 10 DGCE C[C@H](N[C@@H]1CC(=O)N(Cc2ccccc2)[C@H]1C)c1ccccc1O 366966021 KFJBOBYAPKUAIE-RLFYNMQTSA-N 324.424 3.232 10 10 DGCE C[C@H]1COCCCN1[C@H](C)c1cc(Br)ccc1O 398956934 WDMWZDOBSKPRHB-WDEREUQCSA-N 314.223 3.327 10 10 DGCE [N-]=[N+]=NCCCNC(=O)/C=C/c1ccccc1Br 701339228 ZJROPSOKTFGPFX-VOTSOKGWSA-N 309.167 3.279 10 10 DGCE CO[C@H](C)CN(C)Cc1cc(Cl)cc(Br)c1O 708134271 QQALGUQBLBGJGM-MRVPVSSYSA-N 322.630 3.275 10 10 DGCE COC[C@H](C)[C@@H](C)NCc1cc(Br)cc(F)c1O 715745302 LUJNTDYCNFXZNT-DTWKUNHWSA-N 320.202 3.054 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)NCCOC(C)(C)C 731284330 QBIAZRLOJORJSB-UHFFFAOYSA-N 308.422 3.129 10 10 DGCE Cc1ccc([C@@H](C)NCCc2c(C)nn(C)c2C)c(O)c1C 756385553 SGEFEFAGPKOOCW-CYBMUJFWSA-N 301.434 3.253 10 10 DGCE CC[C@@H](C(=O)N(C)Cc1ccccc1O)c1c(C)noc1C 769281460 CWNSPNGJTQKUCX-CQSZACIVSA-N 302.374 3.149 10 10 DGCE OCC[C@H]1CCCCCN1Cc1c(O)ccc(Cl)c1F 793610320 TVGXHBFIHXQUCD-LLVKDONJSA-N 301.789 3.312 10 10 DGCE CCCCn1nc(Cc2ccc(N)cc2)c2ccccc2c1=O 821187535 XUYUUAWVZKFVAJ-UHFFFAOYSA-N 307.397 3.370 10 10 DGCE Oc1c(F)cc(Cl)cc1CNCCC1SCCS1 827668799 QACQOVBBQUVQFA-UHFFFAOYSA-N 307.843 3.471 10 10 DGCE O=C([C@@H]1C[C@H]1c1ccc(F)cc1F)N1Cc2cccc(O)c2C1 828327630 QYEFHFXIYIZNTG-UONOGXRCSA-N 315.319 3.316 10 10 DGCE CN(C/C=C/c1ccc(N(C)C)cc1)CCCN1CCCC1 835050404 ARPUYSPRGDOXJI-SOFGYWHQSA-N 301.478 3.184 10 10 DGCE COc1cc(NC(=O)c2cc(O)cs2)c(OC)c(C)c1OC 846951632 ZEZMBQIRWUOXFV-UHFFFAOYSA-N 323.370 3.040 10 10 DGCE CC[C@@H](NC[C@](C)(CO)OC)c1cc(Cl)cc(Cl)c1O 848556401 WRULUBMYRATZON-TZMCWYRMSA-N 322.232 3.137 10 10 DGCE COc1ccc(N2CC[C@H](N[C@@H](C)c3cncs3)C2)cc1 850488425 MRHHIOCKKBTSBA-STQMWFEESA-N 303.431 3.081 10 10 DGCE C[C@@H](NCCC1SCCS1)c1cc([N+](=O)[O-])ccc1O 850571333 UIONMRGISKJCBP-SECBINFHSA-N 314.432 3.147 10 10 DGCE C[C@H](NC(=O)NCCc1ccc(N)cc1)C1CCC(F)CC1 851663500 AQWPOLUHOQHERW-GRTSSRMGSA-N 307.413 3.027 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)C[C@@H](C)CC(C)C)C2)cc1 855231610 WXPMBQBNCJDKGN-JKSUJKDBSA-N 318.461 3.462 10 10 DGCE COc1cc(CN[C@H]2CO[C@H](C3CC3)C2)c(O)c(C(C)(C)C)c1 858297137 BEYQVJAXRKUKCF-PBHICJAKSA-N 319.445 3.355 10 10 DGCE Cc1ccc([C@H](C)NCc2nc(CN(C)C)cs2)c(O)c1C 903222725 JDHXBHPRSUIHEL-ZDUSSCGKSA-N 319.474 3.378 10 10 DGCE CN(C)c1ccc(/C=C/CNCCc2ccccc2C(=O)O)cc1 903994610 VFMATHQKIAIYHD-AATRIKPKSA-N 324.424 3.296 10 10 DGCE C[C@@H](CC(=O)OC(C)(C)C)NC/C=C\c1ccc(N(C)C)cc1 1117944979 OCOMLPDPHLTRLA-LZNQSLFOSA-N 318.461 3.476 10 10 DGCE CS[C@@H](C)CC(=O)N(C)Cc1ccc(N2CCCC2)cc1 1136025242 BTDSXLGANFJFRE-AWEZNQCLSA-N 306.475 3.387 10 10 DGCE COc1cc(NC(=O)c2cccc(O)c2O)cc(Cl)c1OC 1144112376 MUAMRWFGUJUCTI-UHFFFAOYSA-N 323.732 3.021 10 10 DGCE C[C@@H]1CN(Cc2ccc(N(C)C)cc2)CCN1Cc1ccccc1 1195113831 PUYZXAMXFGSRSJ-GOSISDBHSA-N 323.484 3.459 10 10 DGCE CCCCO[C@@H](C)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1525107479 STSXNCGIRABBOC-INIZCTEOSA-N 318.461 3.450 10 10 DGCE Cc1ccc([C@@H]2C[C@H]2NC(=O)/C=C\c2ccc(O)c(O)c2)cc1 1638820320 WPZCGRZIHXPGAW-ZIDUMWFYSA-N 309.365 3.092 10 10 DGCE Cc1cccc(OCCCC(=O)NCc2c(O)cccc2F)c1 1638862864 GHIQYMAFAUHMKW-UHFFFAOYSA-N 317.360 3.315 10 10 DGCE O=C(Nc1ccc(N2CCCC2)cc1)c1c(F)ccc(O)c1O 1641142150 QNMJZMAHKNZXDI-UHFFFAOYSA-N 316.332 3.089 10 10 DGCE CN(C[C@H]1CCC[C@H](C(F)(F)F)O1)c1ccc2c(c1)OCO2 1642299629 ARXSNTWEBRRQRO-BXUZGUMPSA-N 317.307 3.352 10 10 DGCE C[C@H](NC(=O)c1ccc(Cl)c(F)c1N)c1ccccc1O 1648894838 UEPLQAYNGPZNFG-QMMMGPOBSA-N 308.740 3.258 10 10 DGCE CCCC1=NN(C)C(=O)/C1=C/c1ccc(OCC)c(OCC)c1 1865665115 BOSSFNAGTZJBMN-SDNWHVSQSA-N 316.401 3.496 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@]12C[C@H](CCO1)C2 1879283255 YIBVUKJIEGTJCE-DEZZCRIOSA-N 302.201 3.358 10 10 DGCE C[C@@H](N)c1ccc(N(C)CCOC2CC2)cc1Br 1914548461 FLTUOLKUOXMWEU-SNVBAGLBSA-N 313.239 3.084 10 10 DGCE CC[C@@H](O)CN(Cc1ccccc1)c1ccc(CN)c(F)c1 1915377373 HEXCLWRJACSUCO-QGZVFWFLSA-N 302.393 3.062 10 10 DGCE CC[C@H](CC[C@H](N)c1ccccc1O)NC(=O)OC(C)(C)C 1928467373 JWUGKUUSTDTLCZ-OCCSQVGLSA-N 308.422 3.476 10 10 DGCE CC(C)(C)OC(=O)N[C@@H](CN)c1cc2ccccc2cc1O 1951474139 WKGMKQPUIWPCQF-AWEZNQCLSA-N 302.374 3.070 10 10 DGCE Cc1cccc(N)c1N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C 1959358633 CYIHDCCRRDLOPB-TZMCWYRMSA-N 305.422 3.387 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1Nc1ccc(N)cc1 1959371837 POLAHUKSQFPHJS-IUODEOHRSA-N 305.422 3.326 10 10 DGCE CN(C)c1ccc([C@@]2(O)CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 1977938169 HBDHPGFCQAVHFR-KBXCAEBGSA-N 320.433 3.017 10 10 DGCE CC[C@@H](NC(=O)OC(C)(C)C)[C@@](C)(N)c1ccc(N(C)C)cc1 1977946389 VMWHJALXHNLNOG-QAPCUYQASA-N 321.465 3.230 10 10 DGCE Cc1ccc(CN[C@H]2CCCN(Cc3ccccc3)C2)c(O)c1 1994456572 NKJYHWSCCSLPHO-IBGZPJMESA-N 310.441 3.455 10 10 DGCE C[C@@H]1CN(Cc2cc(Br)ccc2O)CC1(F)F 1996513721 KJVDXHOYWZEWCJ-MRVPVSSYSA-N 306.150 3.242 10 10 DGCE C[C@@H]1CN(Cc2ccccc2)CCN1c1ccc2c(c1)CC[C@@H]2N 2012710602 WXZKZZQSEHHRTE-IERDGZPVSA-N 321.468 3.343 10 10 DGCE OCc1ccc(N2CC[C@@H]3[C@H](C2)C3(F)F)cc1Br 2034636395 OKLXJKFEVNAZHA-MNOVXSKESA-N 318.161 3.033 10 10 DGCE CN(Cc1cc(Br)cc(F)c1O)c1cccnc1 2051202379 NHYUBRQHSWAICO-UHFFFAOYSA-N 311.154 3.325 10 10 DGCE CNCc1cc(C2CCCC2)nn1Cc1ccc(OC)cc1O 2070095706 RPZLGUIRNPUHJI-UHFFFAOYSA-N 315.417 3.023 10 10 DGCE C[C@@H]1CC[C@@H](CN(C)Cc2cccc(Br)c2O)O1 2075385376 OUWSKECRVNVVAH-PWSUYJOCSA-N 314.223 3.154 10 10 DGCE CC[C@H](c1ccc(C)cc1O)n1nc(C(C)C)c(CO)c1N 2078980424 DNJZRBYKSIFONP-CQSZACIVSA-N 303.406 3.094 10 10 DGCE Cc1cc(O)c([C@H](C)n2nc(C3(C)CC3)c(C=O)c2N)cc1C 2080009144 YAKOVHOJAYZREV-LBPRGKRZSA-N 313.401 3.261 10 10 DGCE O=C(O)C=Cc1ccc(N2CC3CC(C3)C2)cc1Br 2107496086 ZNHXSLWKOHUVQL-UHFFFAOYSA-N 322.202 3.393 10 10 DGCE C[C@H](N)c1ccc(N(C)Cc2cccn2C)c(Br)c1 2114548654 DETYGMHUKPHVFX-NSHDSACASA-N 322.250 3.444 10 10 DGCE CSc1cnc([C@H](N)c2ccc3c(c2)CCCN3C)s1 2163122457 AOIUNTUFYZIBHS-CQSZACIVSA-N 305.472 3.296 10 10 DGCE CSc1ncc(CN2CC3(CCCCC3)NC[C@@H]2C)s1 2284678132 UMHLXQKOIUTSCR-LBPRGKRZSA-N 311.520 3.362 10 10 DGCE Cc1cc(O)c([C@H](C)N(C)[C@H]2CCOC[C@H]2F)cc1Cl 2286459600 YHWYYUXRVMJPNX-GDLCADMTSA-N 301.789 3.474 10 10 DGCE Cc1ccc(CNC[C@@H]2C[C@H]2CF)c(O)c1Br 2307476202 YPGAYIGIWSMZFW-QWRGUYRKSA-N 302.187 3.158 10 10 DGCE O=C(O)Cc1nc2ccccn2c1N=Nc1ccc2c(c1)OCO2 2320767385 DYQNGPWCNGYDKF-UHFFFAOYSA-N 324.296 3.106 10 10 DGCE CC(=O)CCCN(C)Cc1ccc(C)c(Br)c1O 2327789109 JLFIBZZJRLMTAK-UHFFFAOYSA-N 314.223 3.264 10 10 DGCE Oc1ccccc1CN[C@@H]1CCC[C@@H](OCC(F)(F)F)C1 37152944 GAUAXBPPQBIGKO-CHWSQXEVSA-N 303.324 3.372 10 10 DGCE Nc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 37375943 MVCAIRYKONEKGJ-UHFFFAOYSA-N 317.197 3.376 10 10 DGCE CN(Cc1ccc(N2CCCNCC2)cc1)C1CCCCC1 84857344 XCUFZFQOIUDCHU-UHFFFAOYSA-N 301.478 3.251 10 10 DGCE CCCN1CCN(c2ccc(NCc3ccc(N)cc3)cc2)CC1 107749557 FOFHZQDVRYREGU-UHFFFAOYSA-N 324.472 3.413 10 10 DGCE CN(C)c1ccc(/C=C2\CCn3c2nc2ccccc2c3=O)cc1 169504924 HLZUPKVNZFSBAK-FYWRMAATSA-N 317.392 3.407 10 10 DGCE Cc1nn(C)c(C)c1CCCN[C@@H](C)c1ccc(F)c(F)c1O 187829054 SITSBWBECWRSNH-JTQLQIEISA-N 323.387 3.304 10 10 DGCE CN1CCc2cc(CN[C@H]3CCOc4c(F)cccc43)ccc21 191126168 XBCXISKJROXPTN-KRWDZBQOSA-N 312.388 3.431 10 10 DGCE CCN(CC)c1ccc(CNC(=O)Nc2ncccc2F)cc1 193961030 DTAZNLCPOCDPJC-UHFFFAOYSA-N 316.380 3.389 10 10 DGCE Nc1ccc(CS(=O)(=O)Nc2cc(F)ccc2Cl)cc1 231809855 TZVWNVRNYQIVEN-UHFFFAOYSA-N 314.769 3.003 10 10 DGCE C[C@H]1CCN(c2ccc(/C=C/C(=O)O)cc2Br)C1 235672262 MDALYMUOEISYAE-GFAPAMAISA-N 310.191 3.393 10 10 DGCE Oc1c(Cl)cccc1CN[C@H]1CCN(Cc2ccccc2)C1 390715734 CHPVVIFAYHWDQQ-INIZCTEOSA-N 316.832 3.410 10 10 DGCE COc1cccc([C@H](C2CCCCC2)N2CCOCC2)c1O 575290400 IVYCEVOHONEDPB-KRWDZBQOSA-N 305.418 3.354 10 10 DGCE Oc1cc(Br)ccc1CN[C@H]1CCCC1(F)F 691425763 DZNFAUOLVJHJCT-NSHDSACASA-N 306.150 3.432 10 10 DGCE Cc1ccc([C@@H](C)NCc2cn(C)nc2Br)c(O)c1 720680893 KLYFPNYZKXCYRP-SNVBAGLBSA-N 324.222 3.047 10 10 DGCE Cc1cccc(CN(C)[C@@H]2CCN(Cc3ccccc3)C2)c1O 775647946 IWQVQUZDZLWBKP-LJQANCHMSA-N 310.441 3.407 10 10 DGCE Cc1cc(Br)c(O)c(CN(C)[C@@H]2CCSC2)c1 781897217 PXSYHRAXGCVRRM-LLVKDONJSA-N 316.264 3.400 10 10 DGCE COc1cc(C)c(CN(C)Cc2ccc(N(C)C)cc2)c(C)n1 781901410 SIKUZARRVQCHJO-UHFFFAOYSA-N 313.445 3.405 10 10 DGCE CCOC(=O)[C@@H]1CC[C@H](N[C@H](CC)c2ccc(F)cc2O)C1 796978042 KVQLBRWIPCRSJN-OSAQELSMSA-N 309.381 3.304 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc2c(s1)CCC2 808094618 AQAZFXUUZIIDRK-UHFFFAOYSA-N 322.426 3.358 10 10 DGCE CN1CCCc2cc(CNC(=O)N[C@@H]3CC[C@@H]4C[C@H]4C3)ccc21 826019519 HNOZNRQWDSHBKF-HYVNUMGLSA-N 313.445 3.057 10 10 DGCE CCOc1ccc(CN[C@@H](C(C)C)C2(CO)CC=CC2)c(O)c1 843432385 CKYPASRAQLECJN-SFHVURJKSA-N 319.445 3.234 10 10 DGCE C[C@H](CO)C1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 846057224 FMBUFMMBPYRCDD-YIEVGGLXSA-N 302.462 3.106 10 10 DGCE COc1cccc([C@H](C)N[C@@H](C)[C@H](O)c2ccccc2)c1O 846169554 FEBIWLGPNUCOOB-DCGLDWPTSA-N 301.386 3.174 10 10 DGCE Cc1ccc(CNCC[C@@H]2CCC3(CCOCC3)CO2)c(O)c1 895799039 GEABNKDBRICBAQ-KRWDZBQOSA-N 319.445 3.156 10 10 DGCE CC[C@H](C)[C@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)OC 897880245 KPKRGSJSBMWFBR-ZANVPECISA-N 323.414 3.103 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2C[C@H]3C=C[C@H]2CC3)c1 927816503 QBFRBJFCLBAUJB-LMOYCYGVSA-N 316.401 3.116 10 10 DGCE CC[C@](C)(NC(=O)NCc1ccc(N(C)C)c(F)c1)C1CC1 1118593578 SWZLAKXNKSMSLO-KRWDZBQOSA-N 307.413 3.270 10 10 DGCE CN(C)c1ccc(CNC(=O)c2cc(Br)co2)cc1 1124553701 UWUZCYWLUWOWST-UHFFFAOYSA-N 323.190 3.038 10 10 DGCE CCO[C@H](C(=O)NCc1ccc(N(CC)CC)c(F)c1)C(C)C 1136730501 RTIRAOOTFBIWQR-KRWDZBQOSA-N 324.440 3.349 10 10 DGCE C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 1160570220 BBZRGCJRKILECP-ZUZCIYMTSA-N 324.340 3.101 10 10 DGCE CC(=O)c1cc(F)cc(CN2Cc3ccccc3CO2)c1O 1473734046 NABMZUXQZPJFLZ-UHFFFAOYSA-N 301.317 3.181 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)/C(C)=C\c2ccco2)c1 1566374913 YKHWANBKXLIYCF-UCQJPZFISA-N 301.342 3.275 10 10 DGCE Cc1ccc2n[nH]cc2c1C(=O)NCc1cc(Cl)ccc1O 1583821053 SJLZIEVTJSBZMQ-UHFFFAOYSA-N 315.760 3.160 10 10 DGCE COC(=O)c1cnc(Sc2ncnc3cccc(C)c23)s1 1612422771 FJEJBHSDDXHMQW-UHFFFAOYSA-N 317.395 3.333 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)Nc2ccc3c(c2)CCO3)cc1 1626123173 VMTUUDWCGZNXMH-UHFFFAOYSA-N 310.313 3.036 10 10 DGCE CCOCCCN1C(=O)/C(=C\c2ccsc2)SC1=S 1858589819 LFIDFDBMVPECAP-DHZHZOJOSA-N 313.469 3.376 10 10 DGCE CCCOc1ccccc1/N=N/N1CCC(C(=O)OC)CC1 1860485782 XWJGSFVUDQBOJO-ISLYRVAYSA-N 305.378 3.359 10 10 DGCE COC(=O)C[C@@](C)(N)c1c(O)c(Cl)cc(Cl)c1Cl 1951858040 DXZXRQVNNBJKNP-LLVKDONJSA-N 312.580 3.089 10 10 DGCE CC(C)(C)OC(=O)NC1(C2CCN(CCN=[N+]=[N-])CC2)CC1 1962303730 IYDULBPONSVJPF-UHFFFAOYSA-N 309.414 3.066 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H](NCc2ccc(F)cc2O)C1 1964554562 GYRCACKQNXLLJF-CQSZACIVSA-N 324.396 3.020 10 10 DGCE CC(C)(C)OC(=O)NC1(CCNCc2ccccc2O)CCC1 1967885377 NWFYJDKMXVKKIT-UHFFFAOYSA-N 320.433 3.319 10 10 DGCE C[C@H]1C[C@@H](NCc2c(O)cccc2F)CN1Cc1ccccc1 1976872307 FEYRZPGGKKVFDV-GOEBONIOSA-N 314.404 3.284 10 10 DGCE C[C@H](N[C@H]1CC[C@H]1CNC(=O)OC(C)(C)C)c1ccccc1O 1986710112 SFPXCJZITGNYQQ-YDHLFZDLSA-N 320.433 3.346 10 10 DGCE C[C@H]1C[C@H](CCNCc2cc(Br)ccc2O)CO1 2041472440 SNRQUEMBMILCOI-QWRGUYRKSA-N 314.223 3.059 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)c2snc(Cl)c2Cl)C1 2048318240 VWIKZYUAFOUBEG-YFKPBYRVSA-N 306.178 3.365 10 10 DGCE Nc1ccc(CCOCc2ncccc2Br)cc1 2056189667 OMXYXMSVHSNQAF-UHFFFAOYSA-N 307.191 3.186 10 10 DGCE Cc1cc(OCCc2ccc(N)cc2)ncc1Br 2056263845 HRUIOHDZHAJDQY-UHFFFAOYSA-N 307.191 3.356 10 10 DGCE CCOC(=O)c1cc(CC(C)C)nn1Cc1cc(C)ccc1O 2069960089 MPXQUXWLXQLDSA-UHFFFAOYSA-N 316.401 3.321 10 10 DGCE CNC(=O)c1cc(CC(C)C)nn1[C@H](C)c1cc(C)ccc1O 2070080011 WZRNFWLVZLYBPK-CYBMUJFWSA-N 315.417 3.065 10 10 DGCE Nc1c(C(F)(F)F)c(C2CC2)nn1Cc1cccc(F)c1O 2079802265 DPILYBOUXQUTLX-UHFFFAOYSA-N 315.270 3.255 10 10 DGCE CCN(Cc1ncccc1Br)c1ccc(CN)cc1 2087496204 FHSRNIPKBJZFCP-UHFFFAOYSA-N 320.234 3.329 10 10 DGCE O=S(=O)(Nc1ccc(O)cc1Cl)c1cc(F)cc(F)c1 2145850293 BPVHJRUVWATVEZ-UHFFFAOYSA-N 319.716 3.125 10 10 DGCE C[C@H](O)c1ccc(N2CC[C@H](c3nncs3)C2)cc1Cl 2196553353 CAZVCYPKUJZFGI-UWVGGRQHSA-N 309.822 3.239 10 10 DGCE COc1ccc(N(Cc2ccccc2)CC(C)(C)O)c(C=O)c1 2211293473 QPXPYRIDGYJIQN-UHFFFAOYSA-N 313.397 3.285 10 10 DGCE CN[C@H](c1ccccc1O)[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1 2211953820 QWOJKJJRPXWASE-XEZPLFJOSA-N 320.433 3.204 10 10 DGCE Cc1cc(N2CC3(CN(Cc4ccccc4)C3)C2)ccc1[C@H](C)O 2248960898 HEJXWDORWSCYFL-KRWDZBQOSA-N 322.452 3.371 10 10 DGCE OCc1ccc(N2C[C@@H]3[C@H]4CC[C@H](C4)[C@H]3C2)c(Br)c1 2264967561 KVMHHCCNWSHTPL-XJFOESAGSA-N 322.246 3.424 10 10 DGCE COC[C@]1(F)CCN([C@@H](C)c2cc(Cl)c(C)cc2O)C1 2286458860 RATBBDXXYIHYRG-NHYWBVRUSA-N 301.789 3.475 10 10 DGCE C[C@@H]1CCCN(C2=NC(=O)C(=Cc3cccc(O)c3)S2)C1 2293571060 JMNDQHVRZLWUJG-LLVKDONJSA-N 302.399 3.094 10 10 DGCE CC(C)c1cnc(NC(=O)C=Cc2ccc(O)c(O)c2)s1 2307987906 SNTAHGCJBFTINK-UHFFFAOYSA-N 304.371 3.330 10 10 DGCE CSc1ccc(CC(=O)N(C)Cc2ccccc2O)cc1 116975238 QIRUQVJODQNZFG-UHFFFAOYSA-N 301.411 3.315 10 10 DGCE C[C@H](N)c1ccc(N2C[C@@H](C)OC[C@@H]2C)c(Br)c1 217474782 YGKQBZDYTCPKSZ-AXFHLTTASA-N 313.239 3.082 10 10 DGCE O=C1NC(=O)/C(=C\C(Br)=C/c2ccccc2)S1 214293562 WMXCISXAYFYHAU-KZZDLZNXSA-N 310.172 3.289 10 10 DGCE COC(=O)Cc1nc2c(O)cccn2c1/N=N\c1ccc(C)cc1 71601940 ICFFUQCGTFQAMN-VXPUYCOJSA-N 324.340 3.479 10 10 DGCE CCCN[C@@H](C)c1cnc(SCCOCCOCC)s1 2365624429 ZCIRULWMADXKKO-LBPRGKRZSA-N 318.508 3.349 10 10 DGCE C[C@@H](NCCCOCC(F)(F)F)c1ccc(F)c(F)c1O 191199797 VHXJYQIUAPACBQ-MRVPVSSYSA-N 313.266 3.290 10 10 DGCE CCNCc1ccc(OC)c(CSc2ncc(C)cn2)c1 81893891 QIQSLRJIMFGZLA-UHFFFAOYSA-N 303.431 3.195 10 10 DGCE Cc1cccc2[nH]cc(CCNCc3cc4c(cc3O)OCO4)c12 237831888 PXDUFUVSCVNCST-UHFFFAOYSA-N 324.380 3.243 10 10 DGCE COc1cccc(CNC[C@H]2CC[C@H](c3ccccc3)O2)c1O 367408609 WWGUKJLRGQSRFR-IAGOWNOFSA-N 313.397 3.411 10 10 DGCE Oc1ccc(Br)cc1CNc1nnc(C2CC2)o1 804827144 LTPTWAZJUCZZIA-UHFFFAOYSA-N 310.151 3.027 10 10 DGCE CC(C)[C@H](C)CNC(=O)c1csc(Cc2ccc(N)cc2)n1 817950377 UYBMOLFSSQYVFL-GFCCVEGCSA-N 317.458 3.338 10 10 DGCE C[C@H](N)c1ccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)cc1 817962106 GBXWGOMCMZITBP-RYUDHWBXSA-N 315.373 3.171 10 10 DGCE Oc1ccc(F)cc1CN1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 825030361 KNSRTLMPPSUBBY-CJNGLKHVSA-N 321.392 3.039 10 10 DGCE O=C(NC[C@@H]1CC=CC[C@H]1C(F)(F)F)c1cc(O)cs1 825487470 KNBGMLDALBCWPJ-WCBMZHEXSA-N 305.321 3.328 10 10 DGCE CC(C)C[C@@H](C(=O)O)N(C)C/C=C\c1ccc(N(C)C)cc1 902019754 SHPYTKFWYYUVAQ-TUYSUELWSA-N 304.434 3.197 10 10 DGCE CN1CCC[C@@H](CCNC/C=C/c2ccc(N(C)C)cc2)C1 839182846 QPFDCHTUEQSOOH-JXTAAOLFSA-N 301.478 3.087 10 10 DGCE COc1cccc(O)c1CNC[C@@H]1CSc2ccccc2O1 842726231 DDNSJVNIXJRAEH-GFCCVEGCSA-N 317.410 3.044 10 10 DGCE COc1ccc(N2CC[C@H](CN[C@H]3CCCC34CC4)C2)cc1 850474258 KXZWEUQQHAUWSA-QAPCUYQASA-N 300.446 3.444 10 10 DGCE Fc1cc(-c2nc(Cc3ccon3)no2)ccc1-n1cccc1 762100704 HCGKKDZPLBNDEK-UHFFFAOYSA-N 310.288 3.245 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1[C@@H]2C[C@H]3[C@H](CO[C@H]31)C2 865694098 SNTSPPPGRUMIJU-PWMQFFBLSA-N 314.212 3.212 10 10 DGCE Oc1cc2c(cc1CN1CCC[C@H]3COCC[C@H]31)CCCC2 768462613 ANSFZJFHZJOIAK-FUHWJXTLSA-N 301.430 3.272 10 10 DGCE Cc1ccc(CO[C@@H](C)C(=O)N2Cc3cccc(O)c3C2)cc1 871207150 KKJRBPYFSQEBAA-AWEZNQCLSA-N 311.381 3.148 10 10 DGCE CN(C)c1ccc(CN2CCC=C(Br)C2)cc1F 799736201 YXXRJDSLDONLKG-UHFFFAOYSA-N 313.214 3.376 10 10 DGCE CCNc1cccnc1C(=O)NCc1ccc(N2CCCC2)cc1 1141537836 CZHKLLQVFNDZCC-UHFFFAOYSA-N 324.428 3.044 10 10 DGCE CN(Cc1ccc(N)cc1)CC(C)(C)NC(=O)OC(C)(C)C 1959531814 MIXHJEPMGCUBKH-UHFFFAOYSA-N 307.438 3.004 10 10 DGCE Cc1ccc(C)c([C@@H](C)NC(=O)c2c(F)ccc(O)c2O)c1 1161098264 IKDONMHIRKPBLX-LLVKDONJSA-N 303.333 3.345 10 10 DGCE CC(C)(C)OC(=O)N1CC(CCCNc2ccc(N)cc2)C1 1961461413 HLPARNOPNALAKD-UHFFFAOYSA-N 305.422 3.328 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]2CC[C@H]1N2CCCN=[N+]=[N-] 1962298327 DIJGPCRBOZJPLQ-YNEHKIRRSA-N 309.414 3.064 10 10 DGCE CCCOc1ccc(N2CC[C@H](CNCCCCCO)C2)cc1 76371066 KCVLDOGJPMZHAO-QGZVFWFLSA-N 320.477 3.054 10 10 DGCE Cc1nc(C(=O)NCCCCN=[N+]=[N-])c(Br)s1 1963732207 JTLHHCAFBPEWNH-UHFFFAOYSA-N 318.200 3.034 10 10 DGCE Cc1ccc(O)c(CNCCCCCNC(=O)OC(C)(C)C)c1 397833914 ZQWGERPQXBKICY-UHFFFAOYSA-N 322.449 3.485 10 10 DGCE CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H]2C2CCCC2)cc1F 1434913434 AIYOPOLTWQIVGV-LSDHHAIUSA-N 304.409 3.334 10 10 DGCE C[C@@H](NC(=O)c1cnnc(-c2ccccc2)c1)c1ccccc1O 1454807155 QGQFGRINLFRIAM-CYBMUJFWSA-N 319.364 3.340 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)N=c1sccn1C 1544486175 CAVWQZRHLGZFJI-UHFFFAOYSA-N 317.439 3.297 10 10 DGCE Cc1cnc(F)c(C(=O)NCc2c(O)ccc3ccccc23)c1 1645443297 MEJZLBCLCHRWSX-UHFFFAOYSA-N 310.328 3.318 10 10 DGCE C[C@@H](C(=O)NCc1c(O)cccc1O)c1cc2ccccc2o1 1645360578 DGFJKVRTOUINBD-LLVKDONJSA-N 311.337 3.264 10 10 DGCE C[C@H](C(=O)N[C@H](C)c1ccccc1O)c1cccc([N+](=O)[O-])c1 1642827196 BIYMMHPOVVPOKC-NWDGAFQWSA-N 314.341 3.281 10 10 DGCE C[C@@H](NC(=O)COc1cccc(Cl)c1)c1ccccc1O 1648890101 ZOQNHABGRZESGS-LLVKDONJSA-N 305.761 3.302 10 10 DGCE C[C@@H](NC(=O)C1=NO[C@H](c2ccccc2)C1)c1ccccc1O 1587445276 YRJWYTXQBFZFNS-PXAZEXFGSA-N 310.353 3.087 10 10 DGCE CCN1C(=O)/C(=C\c2ccc(-n3ccnc3)cc2)SC1=S 12506341 GMUYUTCZGYHVIO-UKTHLTGXSA-N 315.423 3.093 10 10 DGCE CN1C(=O)COc2cc(/N=N/N(C)C3CCCCC3)ccc21 1860487667 JFAJAMKPEZOSPW-ISLYRVAYSA-N 302.378 3.305 10 10 DGCE CCOc1cccc(/C=C2\C(=O)N(C)N=C2c2ccccc2)c1 1865670268 QZGRAXCYTYSALX-LGMDPLHJSA-N 306.365 3.345 10 10 DGCE [N-]=[N+]=NC[C@H]1CCN(C(=O)c2cnc(Cl)c(Cl)c2)C1 1912192938 ARMRELSOGYXJMW-SSDOTTSWSA-N 300.149 3.161 10 10 DGCE CCN(CCN=[N+]=[N-])C(=O)c1cc(Br)cs1 1900607071 KHTOQQDSZYHFRP-UHFFFAOYSA-N 303.185 3.283 10 10 DGCE CC(C)(C)OC(=O)Nc1ncccc1[C@@H](N)c1ccccc1O 1923216105 GBWXNAWZNSNFJO-AWEZNQCLSA-N 315.373 3.182 10 10 DGCE CC(C)(C)OC(=O)N[C@](C)(C[C@H](N)c1ccccc1O)C1CC1 1936972627 GPDOUKGHGPMSLG-KBXCAEBGSA-N 320.433 3.476 10 10 DGCE Oc1cccc(Br)c1CNC1CC(C(F)F)C1 1942436748 IHSNWNPHOFUHRO-UHFFFAOYSA-N 306.150 3.288 10 10 DGCE CN1CCc2cc([C@@H](O)C(=O)c3ccc(Cl)s3)ccc21 2147116085 PIMFWMNTUKBVMB-CQSZACIVSA-N 307.802 3.310 10 10 DGCE Nc1ccc(CS(=O)(=O)Nc2ccc(Cl)cc2F)cc1 40328410 IAEYKYMBOQFIIM-UHFFFAOYSA-N 314.769 3.003 10 10 DGCE CN[C@H](c1csc(Cl)c1)[C@@H](O)c1ccc(N(C)C)cc1 2154425331 ZDRRZDZOYVINGO-CABCVRRESA-N 310.850 3.462 10 10 DGCE CC[C@H](CN(C)Cc1cccc(Br)c1O)OC 2014871325 NSTSPPGOJGZTBF-LLVKDONJSA-N 302.212 3.012 10 10 DGCE Oc1c(Br)cccc1CNC[C@@H]1C[C@H]1C(F)(F)F 922732429 QFNBOWNHOUVMSM-DTWKUNHWSA-N 324.140 3.443 10 10 DGCE CC[C@@H](c1ccc(C)cc1O)n1nc(C2(C)CC2)c(CO)c1N 2079022858 LKCVBDCNZMNJFJ-AWEZNQCLSA-N 315.417 3.023 10 10 DGCE Cc1ccc(Cn2nc(C3CC3)c(C(=O)O)c2C(F)F)c(O)c1 2079080252 GUZRMIABHGHMFE-UHFFFAOYSA-N 322.311 3.459 10 10 DGCE Oc1c(Br)cccc1CN[C@H]1CC12CC(F)(F)C2 2069084328 KQAQUNWLDUAOFE-JTQLQIEISA-N 318.161 3.432 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)c1ccc(Br)cc1 2218747163 ZWCAZBQVAPDWNA-GHMZBOCLSA-N 309.167 3.410 10 10 DGCE CCOC(=O)c1ncsc1NCc1cnc(SC)s1 2269314153 ATASAGWMLMMBBL-UHFFFAOYSA-N 315.445 3.110 10 10 DGCE COc1cccc2c1CCCCN2C(=O)C=Cc1cccnc1 2303731202 QLXNTVRUNSKDMF-UHFFFAOYSA-N 308.381 3.473 10 10 DGCE CCN1C(=O)C(=Cc2ccc3ccccc3n2)SC1=S 2313830436 PEWPEMPLWULIEA-UHFFFAOYSA-N 300.408 3.456 10 10 DGCE Cc1[nH]c2ccccc2c1C(=O)CN(C)Cc1ccccc1O 109768917 USULHTCTXKYCNV-UHFFFAOYSA-N 308.381 3.497 10 10 DGCE CC[C@@H](C)c1cc(C(=O)NCc2ccc(N(C)C)cc2)on1 131584806 ZNRHTJPXHMWATI-GFCCVEGCSA-N 301.390 3.184 10 10 DGCE C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)C(C)(C)C 155044372 ILHMTVRNJFEXJM-AWEZNQCLSA-N 301.434 3.297 10 10 DGCE Nc1ccc(CC(=O)Cc2ccc(Br)cc2)cc1 166815461 GWCHYPXOINJYQC-UHFFFAOYSA-N 304.187 3.386 10 10 DGCE COc1ccc(O)c([C@H](C)NCc2nc3c(F)cccc3[nH]2)c1 182379920 WGONFWITYSIRFM-JTQLQIEISA-N 315.348 3.267 10 10 DGCE C[C@H](N[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 227562574 QYODGZFKAQALKY-MAZHCROVSA-N 319.449 3.069 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1NCc1cccc(F)c1O 227632879 MHMKLJSHTWZOLJ-UONOGXRCSA-N 324.396 3.067 10 10 DGCE CNCC[C@H]1CCCCN1Cc1cc(Cl)cc(OC)c1O 229103938 VZPUMSVHSRRNTA-CQSZACIVSA-N 312.841 3.018 10 10 DGCE CC(C)CNCc1ccc(N2CC[C@@H](O)[C@@H](C)C2)c(Cl)c1 229403752 CTYWHQJZFIYYKY-SUMWQHHRSA-N 310.869 3.293 10 10 DGCE CN[C@H](C)c1cc(Br)c(Br)cc1O 238329048 CBGIJADHKHWXJX-RXMQYKEDSA-N 309.001 3.198 10 10 DGCE CC(C)(C(=O)O)[C@@H](N)c1ccc(OCc2ccccc2)cc1O 309861742 IYTIJYJKBKPZNL-INIZCTEOSA-N 315.369 3.082 10 10 DGCE CN(C[C@H]1C[C@H]1C1CC1)c1ccc(CO)c(Br)c1 698339737 RGLYGGIXFJTJGM-OCCSQVGLSA-N 310.235 3.424 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H](C(C)C)C1 756035159 DUGRGRBKTDJYOE-MRXNPFEDSA-N 303.450 3.249 10 10 DGCE CC(C)(C)c1cc(O)c(O)c(CN2CCC[C@@H]3COCC[C@H]32)c1 756887132 MWMNGURSNYHQMX-CZUORRHYSA-N 319.445 3.396 10 10 DGCE Oc1cc(F)c(Cl)cc1CN1CCC[C@@H]([C@H]2CCOC2)C1 816521118 HQRBEIMHAWYDPV-NEPJUHHUSA-N 313.800 3.433 10 10 DGCE COc1cc(Cl)cc(CN[C@H]2C[C@@H](O)c3ccccc32)c1O 827179389 WLPYBWTVORZCEQ-LSDHHAIUSA-N 319.788 3.322 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CC[C@@H]2C[C@@H]2C1 827631753 QDELGGGYLBAYHP-RBSFLKMASA-N 314.429 3.259 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 835055538 VTRLDFCJBBDASF-LJGDMLDFSA-N 314.473 3.391 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1C[C@H]1C1CC1 838723895 HAJOVDGHIVZRJP-WMZOPIPTSA-N 315.461 3.330 10 10 DGCE CC(C)(C)SCC(=O)NCc1ccc2cccnc2c1O 843514189 MQYWJINTBJOJPK-UHFFFAOYSA-N 304.415 3.088 10 10 DGCE Cc1cc(C(=O)N[C@@H]2CC[C@@H]3C[C@H]3C2)c(C)n1-c1ccccn1 844108132 RWUXSRXOZYKUNE-OWCLPIDISA-N 309.413 3.408 10 10 DGCE COc1ccc(O)c([C@@H](C)N[C@@H]2C[C@H]3C[C@@H](OC)C[C@H]3C2)c1 845970640 AXKYLRKDEJWWDD-NJURLYQPSA-N 305.418 3.255 10 10 DGCE CN(C)c1ccc(CN[C@@H](C2CCOCC2)C2CC2)cc1F 846043333 XMEBSNRDKRYQEG-GOSISDBHSA-N 306.425 3.187 10 10 DGCE COc1ccc(N2CC[C@@H](Nc3ccsc3[N+](=O)[O-])C2)cc1 853758854 LGKOPDPMGZTNCJ-LLVKDONJSA-N 319.386 3.356 10 10 DGCE COc1ccc(N2CCC(N[C@@H](C)c3ccns3)CC2)cc1 858318667 SEYWBGHWPCUYRN-ZDUSSCGKSA-N 317.458 3.471 10 10 DGCE COc1cccc([C@H](C)N[C@H]2C[C@@H](C(=O)OC(C)(C)C)C2)c1O 866527122 VDKGRCHCACNUJH-RWMBFGLXSA-N 321.417 3.172 10 10 DGCE COc1ccc(N2CCC(NC[C@@H]3CC(C)(C)CO3)CC2)cc1 872108175 XFZDNXWTZMOXPX-SFHVURJKSA-N 318.461 3.069 10 10 DGCE Cc1cc(CNC(=O)N2C[C@H]3C[C@@H]3C2)c(C)n1-c1ccccc1 1234336427 IXVJKGDQUOAQRC-IAGOWNOFSA-N 309.413 3.255 10 10 DGCE CCCC(=O)NC[C@@H](NCc1ccc(OC)c(C)c1)C(C)C 1268207988 YYMFGPQBEXTOBA-MRXNPFEDSA-N 306.450 3.034 10 10 DGCE CCn1nc(C)c(C(=O)NCc2c(O)ccc3ccccc23)c1C 1304090340 ZOQYXJYNTWXYLQ-UHFFFAOYSA-N 323.396 3.309 10 10 DGCE CN(C(=O)/C=C\c1cnc2ccccc2n1)c1cccc(Cl)n1 1528249815 PBLMNVMIAZENGL-KTKRTIGZSA-N 324.771 3.354 10 10 DGCE CC[C@H](Sc1ccccc1)C(=O)NCc1ccc(O)cc1O 1557084994 XQAIMQIRSHGWPK-INIZCTEOSA-N 317.410 3.285 10 10 DGCE Cc1cc(Cl)c2c(c1)CCCN2C(=O)/C=C/c1cnn(C)c1 1583474953 XQYZUJQCQBVXKJ-AATRIKPKSA-N 315.804 3.375 10 10 DGCE CC(C)c1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1C[C@@H]1C 1598420788 YEZJIOBYYGNMGD-ZFWWWQNUSA-N 314.433 3.400 10 10 DGCE CCOc1cc(NCc2ccc(N(CC)CC)cc2)ncn1 1611826141 IAZRCMOSEVGVQK-UHFFFAOYSA-N 300.406 3.334 10 10 DGCE CN(C(=O)/C=C/c1cncc(O)c1)c1cccc2cccnc12 1639292009 JTYDXZKZBSNQMM-BQYQJAHWSA-N 305.337 3.012 10 10 DGCE Cc1ccc(O)c(CNC(=O)CCc2ccc3[nH]ccc3c2)c1 1640797005 VUBCIFLSVWDGQO-UHFFFAOYSA-N 308.381 3.431 10 10 DGCE [N-]=[N+]=NC1CCN(C(=O)c2csc(Br)c2)CC1 1912169977 QZFUVNZHCRDUKP-UHFFFAOYSA-N 315.196 3.426 10 10 DGCE [N-]=[N+]=N[C@@H]1CCN(C(=O)c2ccc(F)cc2Br)C1 1912184927 JXMULZOFEAKZSS-MRVPVSSYSA-N 313.130 3.113 10 10 DGCE CC[C@@H](O)CN(Cc1ccccc1)c1ccc([C@@H](C)N)c(O)c1 1915388405 HIRKYYOWFQBDBP-RHSMWYFYSA-N 314.429 3.189 10 10 DGCE Oc1ccc(F)cc1CNCc1csnc1Br 1925361940 ZDXWEHCUJRPIJN-UHFFFAOYSA-N 317.183 3.040 10 10 DGCE C[C@H]1CN(CCc2ccc(N)cc2)[C@H](C)CN1Cc1ccccc1 1946783231 NQSWYDWJJPUAKH-MSOLQXFVSA-N 323.484 3.406 10 10 DGCE CC(C)(C)OC(=O)NC1CC2(CCCCN2CCN=[N+]=[N-])C1 1962300766 SEDCGUCUGNJDRQ-UHFFFAOYSA-N 309.414 3.209 10 10 DGCE CC(C)(C)OC(=O)N1CCCC2(CN(CCCN=[N+]=[N-])C2)C1 1962306116 YBJDTQAEVCODEP-UHFFFAOYSA-N 309.414 3.020 10 10 DGCE CN(CCCCN=[N+]=[N-])C1(CNC(=O)OC(C)(C)C)CCC1 1962306393 ZJCZMOUDRLLIAF-UHFFFAOYSA-N 311.430 3.456 10 10 DGCE Cc1ccc([C@H](C)N[C@@H]2CC[C@H]2NC(=O)OC(C)(C)C)c(O)c1 1986711699 FYVVKFKEIOIEEF-NWANDNLSSA-N 320.433 3.407 10 10 DGCE CO[C@H]1C[C@@H](N(C)c2ccc([C@H](C)O)c(Br)c2)C1 2038806751 JZTXAAGUWAUAMX-ZMLRMANQSA-N 314.223 3.116 10 10 DGCE CCC[C@H](COC)N(C)c1ccc(CN)cc1Br 2047302527 UFYAZEDPUKRCIG-GFCCVEGCSA-N 315.255 3.159 10 10 DGCE C[C@@H](c1cc(Br)ccc1O)N(C)[C@@]1(C)CCOC1 2055449150 RMWCLJAHZXOJQS-HZMBPMFUSA-N 314.223 3.327 10 10 DGCE Cc1cc([C@H](NN)c2ccccc2O)cc(C)c1Br 2090037563 NXTFBTSIXXISOQ-HNNXBMFYSA-N 321.218 3.324 10 10 DGCE Oc1ccc(Cl)cc1CN[C@H]([C@H]1CCOC1)C(F)(F)F 2143639130 RFSWTPXCSLAGNW-QPUJVOFHSA-N 309.715 3.103 10 10 DGCE O=C(O)C=Cc1ccc(N2C[C@@H](F)C[C@H](F)C2)cc1Cl 2182595928 AHDZUBBYPRAARA-QWRGUYRKSA-N 301.720 3.324 10 10 DGCE Oc1cccc(Br)c1CNCCSC(F)F 2210119264 DWSYTJJTGFEFKQ-UHFFFAOYSA-N 312.179 3.200 10 10 DGCE Cc1cc([C@H](C)O)ccc1N1CCN(Cc2ccccc2)CC1 2212702073 QVLZXZBLLMCIBB-KRWDZBQOSA-N 310.441 3.371 10 10 DGCE CN1C(=O)SC(=Cc2ccc(N3CCCCC3)cc2)C1=O 2297306901 HOVYTZNPZVUMKO-UHFFFAOYSA-N 302.399 3.343 10 10 DGCE CC(F)(F)c1csc(CNCc2cccc(F)c2O)n1 2360832128 ZOIDIYCTRAWZPB-UHFFFAOYSA-N 302.321 3.389 10 10 DGCE CCCCCCOc1cccn(Cc2ccc(N)cc2)c1=O 36223805 QEHFGBUBVGNGGW-UHFFFAOYSA-N 300.402 3.438 10 10 DGCE CC(C)Oc1ccc(N2CC[C@@H](CNC[C@@H]3CCCO3)C2)cc1 76376318 AFBBHGHFCSJCJY-LPHOPBHVSA-N 318.461 3.069 10 10 DGCE CCn1c(C)nnc1CN(c1ccc(OC)c(F)c1)C(C)C 101567395 UUWIJEJBGTWXMW-UHFFFAOYSA-N 306.385 3.169 10 10 DGCE CN(C)c1ccc(CNCc2nccn2Cc2ccccc2)cc1 114758341 JQZIXDWERYXOHJ-UHFFFAOYSA-N 320.440 3.287 10 10 DGCE CCCNCc1ccc(N(C)CCOC)c(C(F)(F)F)c1 163689620 XXYBJBQMMYIXAH-UHFFFAOYSA-N 304.356 3.288 10 10 DGCE Cc1ncc(/C=C/C(=O)N2CCc3c(F)cc(F)cc32)s1 171991519 AXQWGUWGUHUNBK-NSCUHMNNSA-N 306.337 3.332 10 10 DGCE CCS[C@@H]1CC[C@H](N(C)Cc2cc([N+](=O)[O-])ccc2O)C1 173870682 CTKPLPZKLHPUHW-GXTWGEPZSA-N 310.419 3.406 10 10 DGCE CC[C@H](CNC(=O)OC(C)(C)C)N[C@H](C)c1cc(O)ccc1O 227726602 DRVFDZJAQRFVGH-VXGBXAGGSA-N 324.421 3.052 10 10 DGCE CN(Cc1cccnc1)c1ccc(CN)c(Br)c1F 231839010 HPALOQWAWLGTOS-UHFFFAOYSA-N 324.197 3.078 10 10 DGCE CC[C@H](N[C@@H]1Cc2ccccc2[C@H]1O)c1ccc(N(C)C)cc1 248185739 XHWXSRVVSORZFO-XUVXKRRUSA-N 310.441 3.452 10 10 DGCE Cc1ccc(C(=O)N[C@@H](c2ccccn2)C2CCC2)c(O)c1O 529827257 OXFWOLDGFNICOF-OAHLLOKOSA-N 312.369 3.072 10 10 DGCE Cc1ccc(F)c(O)c1[C@@H](c1cccs1)N1CCOCC1 575301689 DNWRDBHHKCVBEP-OAHLLOKOSA-N 307.390 3.323 10 10 DGCE C[C@@](NCCN=[N+]=[N-])(C(=O)O)c1cc(Cl)cc(Cl)c1F 692342649 YEKPASDCTKUDPK-NSHDSACASA-N 321.139 3.332 10 10 DGCE Cc1ccc(/C=C/C(=O)NCCN=[N+]=[N-])c(Br)c1 701335653 CKYOELNHGLLQQP-SNAWJCMRSA-N 309.167 3.197 10 10 DGCE CC1(CNC(=O)NCc2c(O)ccc3c2CCCC3)CCC1 752024854 LKMPIYJHYUKQSA-UHFFFAOYSA-N 302.418 3.260 10 10 DGCE CCc1cnc(CCN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)s1 756606773 BJEXFBBZMOXBBT-JTQLQIEISA-N 321.402 3.213 10 10 DGCE CC[S@](=O)CCN[C@@H](C)c1ccc(N2CCCCCC2)cc1 765946436 RDZBUQFRGQNUED-AOMKIAJQSA-N 322.518 3.486 10 10 DGCE Cc1cc(Cl)cc(CN2CC[C@@H](Oc3ccncc3)C2)c1O 789770314 VBCIQHJGERNREJ-MRXNPFEDSA-N 318.804 3.402 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H](C)[C@H]1CCCO1 824234182 FWPHLLHOZFEVRU-MAUKXSAKSA-N 318.461 3.306 10 10 DGCE COC(=O)/C=C\c1ccc(N2CC[C@H]2C(C)C)c([N+](=O)[O-])c1 829048338 YIUUQQFNBSAACZ-VGVVRCBHSA-N 304.346 3.016 10 10 DGCE CC1(C)CC[C@@H]1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 830899531 GNQPFGYWYXHEAH-JKSUJKDBSA-N 317.429 3.336 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@@H]2CCC[C@@H]3OCC[C@H]32)cc1 835043388 QHVBJSIISJQZTA-BSMJBHPZSA-N 300.446 3.313 10 10 DGCE C[C@H](O)C[C@@H]1CCCCN1C/C=C/c1ccc(N(C)C)cc1 835051814 JYSGVXIFFVVARW-WENXUGBFSA-N 302.462 3.391 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)CC(F)(F)F)c1 837486351 XHFFDQGWDAQOJT-DTWKUNHWSA-N 305.296 3.167 10 10 DGCE Cc1cc(O)c(CN2CCC[C@H](c3nc(C)no3)C2)c(Cl)c1 840910415 GGPINBAMWOSSNC-LBPRGKRZSA-N 321.808 3.425 10 10 DGCE Cc1cc(CCNC(=O)C2(F)CC2)c(C)n1-c1ccccc1 843758098 ISQDBCKZIMMEIM-UHFFFAOYSA-N 300.377 3.255 10 10 DGCE CO[C@@](C)(CO)CN[C@H](C)c1ccc(N2CCCCCC2)cc1 848560154 ZEJMOOOCXGBSQH-VQIMIIECSA-N 320.477 3.115 10 10 DGCE CC[C@H](N[C@H](C)c1cc(C(=O)OC)ccc1O)[C@@H]1CCCCO1 848567579 ITLYIKXNYJBQMD-PVUWLOKVSA-N 321.417 3.177 10 10 DGCE Cc1noc([C@@H](C)N(C)C/C=C/c2ccc(N(C)C)cc2)n1 848925771 JXURBNKEHPKTGL-KTRBRXNASA-N 300.406 3.150 10 10 DGCE CC1(C)CCC[C@H]1CCNC(=O)NCCc1ccc(N)cc1 861641631 VBGGUOBNBJYCKW-HNNXBMFYSA-N 303.450 3.327 10 10 DGCE CN(C)c1cc(F)c(CN2CCOC[C@H]2c2ccco2)cc1F 862243333 HVBJGWGJBGSMCG-INIZCTEOSA-N 322.355 3.197 10 10 DGCE CN(C)c1cc(F)c(CN2CCC[C@@H]3COCC[C@@H]32)cc1F 862252419 TWJVLSKDOZJSIH-WBMJQRKESA-N 310.388 3.032 10 10 DGCE COC(=O)C1=CC[C@@H](NCc2cc(Cl)cc(Cl)c2O)C1 862465670 SNTQPBLNJJSPFH-LLVKDONJSA-N 316.184 3.050 10 10 DGCE C[C@H](N[C@@H](C)c1ccnn1C)c1ccc(Br)cc1O 866613564 IECRKAXTGUSQFS-UWVGGRQHSA-N 324.222 3.300 10 10 DGCE O=C(N[C@@H]1CCC[C@H](C2CC2)C1)N1Cc2cccc(O)c2C1 875684195 QSKPKSWNUMXDPX-DZGCQCFKSA-N 300.402 3.386 10 10 DGCE CC(C)[C@H](C(=O)O)[C@@H](C)NC/C=C/c1ccc(N(C)C)cc1 904021176 POAHNZKCEFURKD-PALPZSCYSA-N 304.434 3.101 10 10 DGCE C[C@H](NCc1nc2c(s1)COCC2)c1ccc(Cl)cc1O 927119338 VCHFXQMCWATDOP-VIFPVBQESA-N 324.833 3.426 10 10 DGCE O=C(c1ccccc1-c1cn[nH]c1)N1CCc2cc(F)ccc21 1155704665 NFQRKOXMGCBXNW-UHFFFAOYSA-N 307.328 3.419 10 10 DGCE CC(C)[C@H]1N(C(=O)Cc2ccc(O)c(O)c2)CC12CCCCC2 1161237402 HVYOLNCUZGRWKM-GOSISDBHSA-N 317.429 3.458 10 10 DGCE Cc1ccc(CCNC(=O)NCc2c(O)cccc2F)cc1C 1230788080 GZLIYANWBIBAMT-UHFFFAOYSA-N 316.376 3.190 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(CC(C)C)c[nH]1 1297562676 OWERGPUYYZVNEJ-UHFFFAOYSA-N 321.417 3.335 10 10 DGCE COC(=O)c1ccc(O)c([C@H](C)NC2CC3(C2)CC3(F)F)c1 1327607519 PGGWSOXZQRDWHP-IEBVAXJPSA-N 311.328 3.017 10 10 DGCE O=C(NCc1c(O)cccc1O)c1csc(C(F)(F)F)c1 1456315766 KUNNYYKRFKUDLR-UHFFFAOYSA-N 317.288 3.108 10 10 DGCE CC[C@H](CNC(=O)c1c(F)ccc(O)c1O)c1ccccc1 1472499473 MNWXEQKEFGNHHZ-LLVKDONJSA-N 303.333 3.161 10 10 DGCE CCC[C@H](C)C(=O)NC[C@@H](C)NCc1ccc(OC)c(C)c1 1480439690 UZEWKZREBHEFFK-DZGCQCFKSA-N 306.450 3.034 10 10 DGCE C[C@H](C(=O)NCc1ccc(N(C)C2CCCCC2)cc1)N(C)C 1542411856 CGNCHXMNSPGWHF-OAHLLOKOSA-N 317.477 3.022 10 10 DGCE COC(=O)[C@H](NCc1ccc(OC)c(C)c1)C1CCCCC1 1617049986 RVJDCKXOEVJBCC-QGZVFWFLSA-N 305.418 3.215 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H](O)CC(C)C 1622370601 FCSRIKBUXQZKQJ-CQSZACIVSA-N 320.458 3.292 10 10 DGCE CCCOc1ccc(NC(=O)Cc2ccc(O)c(O)c2)c(C)c1 1630751039 VAQOKSNYCJJTRW-UHFFFAOYSA-N 315.369 3.376 10 10 DGCE COc1ccc(CN[C@@H](C)[C@H](C)NC(=O)CC2(C)CC2)cc1C 1725101604 HQPGNWDAJZPOGM-GJZGRUSLSA-N 318.461 3.177 10 10 DGCE CC/C(C)=C/C(=O)N[C@H](C)CCNCc1ccc(OC)c(C)c1 1732692747 IEXOCOONCGCGSI-WSYSLRRZSA-N 318.461 3.344 10 10 DGCE Cc1ccc(/N=N/N2CCN(C(=O)c3ccco3)CC2)cc1C 1860482504 JICGMJKJBSHCII-VHEBQXMUSA-N 312.373 3.353 10 10 DGCE Clc1ccc(NN=NCCCN2CCOCC2)c(Cl)c1 1860495036 SQXJOQIMDROOMI-UHFFFAOYSA-N 317.220 3.495 10 10 DGCE C1=CCC2(CNC2)N(c2ccc(OCc3ccccc3)cc2)C1 1899863478 PISVMZXYOVZZRC-UHFFFAOYSA-N 306.409 3.374 10 10 DGCE Cc1cc(CO)ccc1N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 1909109739 UQWAGZAERHNGPI-PZJWPPBQSA-N 322.452 3.198 10 10 DGCE [N-]=[N+]=NC1CCN(C(=O)c2cccc(Br)c2)CC1 1912148977 ADCRUVJLFDQEJU-UHFFFAOYSA-N 309.167 3.364 10 10 DGCE C[C@H](O)CN(Cc1ccccc1)c1ccc(CNC2CC2)cc1 1914624431 AVSYLUDCEFGEGN-INIZCTEOSA-N 310.441 3.326 10 10 DGCE C[C@@H](CCC[C@H](N)c1ccccc1O)NC(=O)OC(C)(C)C 1928481096 RBMVFVQJKFRKCZ-JSGCOSHPSA-N 308.422 3.476 10 10 DGCE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1CCCCN=[N+]=[N-] 1962298710 HGKZEJRYEWCDAR-CHWSQXEVSA-N 311.430 3.455 10 10 DGCE CCN(CCN=[N+]=[N-])[C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 1962298976 JZFQBKYJUUSCOF-OLZOCXBDSA-N 311.430 3.312 10 10 DGCE CN(Cc1csc(C(F)(F)F)n1)c1ccc(CN)cc1 1972630844 ZPHGMBSVDWDAQM-UHFFFAOYSA-N 301.337 3.257 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CC[C@@H]2Nc1ccccc1N 1977659773 QUTIGAMQHPISQB-NFAWXSAZSA-N 317.433 3.469 10 10 DGCE CC(C)(C)OC(=O)N1CCN(Cc2ccc(N)cc2)C(C)(C)C1 1977919836 BVANNAQQQUNMPV-UHFFFAOYSA-N 319.449 3.100 10 10 DGCE Cc1nc(Br)sc1CN1CC[C@@H](N=[N+]=[N-])C1 1986102789 DFEOLXISDKWCKN-SSDOTTSWSA-N 302.201 3.099 10 10 DGCE N[C@H]1CCc2cc(N(Cc3ccccc3)[C@@H](CO)C3CC3)ccc21 2012707572 WGELIAAMIZZGTR-SFTDATJTSA-N 322.452 3.410 10 10 DGCE Oc1cc(Br)ccc1CNCC1(CCF)CC1 2018887887 PUOYMEVMWGDVQD-UHFFFAOYSA-N 302.187 3.384 10 10 DGCE CC[C@@]1(CNCc2cc(Br)ccc2O)CCCO1 2030256557 SOCFEPKDXBMXSD-AWEZNQCLSA-N 314.223 3.204 10 10 DGCE CNCc1cc(C2CCC2)nn1[C@@H](C)c1c(O)cccc1F 2070031979 GXRXJEGDLORTRW-NSHDSACASA-N 303.381 3.324 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCC[C@]12CCNC2 2088452552 GYYUCWYWLOJUDL-CQSZACIVSA-N 301.217 3.027 10 10 DGCE Cc1cc(CO)ccc1N(C)Cc1cc(Br)cn1C 2114687390 ZVLYXXVJSJBROW-UHFFFAOYSA-N 323.234 3.225 10 10 DGCE NCc1ccc(N2CC(SC(F)F)C2)c(C(F)(F)F)c1 2196712103 VQEIPQWOABGEPO-UHFFFAOYSA-N 312.307 3.309 10 10 DGCE COC(=O)c1csc(CNCc2cnc(SC)s2)c1 2269121891 SKJWJAXMCWOCAL-UHFFFAOYSA-N 314.457 3.003 10 10 DGCE CCn1nc(C)c(Cl)c1CNCc1cnc(SC)s1 2269203591 SKYOZHBTVJASHV-UHFFFAOYSA-N 316.883 3.333 10 10 DGCE CCCN[C@@H]1CCN(Cc2cnc(SC)s2)[C@@H](C)[C@@H]1C 2284698108 WKIUXUUECXPHQC-SGMGOOAPSA-N 313.536 3.464 10 10 DGCE COc1cc(Cl)cc(CNCC[C@H](C)OC(F)F)c1O 2290136220 KUNLAOURTKXBLQ-QMMMGPOBSA-N 309.740 3.162 10 10 DGCE CCN(C)c1ccc(C=C2N=C(c3ccccc3)OC2=O)cc1 2297506025 XPFXEMBGPIGRBN-UHFFFAOYSA-N 306.365 3.487 10 10 DGCE Cc1cccn2c(N=Nc3ccc4c(c3)OCO4)c(C(=O)O)nc12 2320767412 FJCXVDDMKZTEDH-UHFFFAOYSA-N 324.296 3.485 10 10 DGCE Cc1ccc(CNC[C@H](C)OC(F)F)c(O)c1Br 2327623025 CPSPWGVNVORONF-QMMMGPOBSA-N 324.165 3.180 10 10 DGCE COc1ccc(O)c(CN2CCC[C@H]2c2noc(C(C)C)n2)c1 179967777 MSLNXAPINKDXSS-AWEZNQCLSA-N 317.389 3.244 10 10 DGCE Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCCC(F)(F)F 126415554 BYVWNEFDRMPIPV-UHFFFAOYSA-N 312.247 3.360 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1[C@@H]2CC[C@@H]1CC(O)C2 126686995 ODKDYJBVFGSSDA-GHMZBOCLSA-N 302.201 3.187 10 10 DGCE CNCc1cc(F)c(N2CC[C@H](SC(F)F)C2)c(F)c1 2365714546 TWFMVYGTENKRFP-VIFPVBQESA-N 308.344 3.219 10 10 DGCE CC(C)c1csc(NC(=O)CCOc2ccc(N)cc2)n1 49234261 LZLJFENKRJKLFO-UHFFFAOYSA-N 305.403 3.256 10 10 DGCE Cc1nnnn1-c1cccc(N[C@H](C)c2ccc(N(C)C)cc2)c1 193012422 YHVMSEMRFUUPBG-CYBMUJFWSA-N 322.416 3.210 10 10 DGCE COc1ccc2c(c1)CCN2C(=O)/C=C\c1ccc(Cl)nc1 255033698 IWBFICJPVVGXEL-CLTKARDFSA-N 314.772 3.346 10 10 DGCE Cc1ccc([C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)cc1 363756038 QHWOWZKXSOXTSQ-MPNRVQBSSA-N 323.392 3.436 10 10 DGCE Cc1cc(Cl)cc(CNC2CCN(C3CCC3)CC2)c1O 271917571 RJPXIMFANMKCGD-UHFFFAOYSA-N 308.853 3.461 10 10 DGCE CN(C)CC[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)C1 701504255 FTULGSCBPPCNSW-NSHDSACASA-N 317.260 3.473 10 10 DGCE Cc1cccc(CN[C@H](C)c2ncc(Br)cn2)c1O 816627697 URKHTBGKWLAOCO-SNVBAGLBSA-N 322.206 3.104 10 10 DGCE CCN1CC[C@@H](N(C)Cc2ccc(N(C)C)c(C)c2)[C@@H](C)C1 815070935 APJVSZIONUVRRC-QFBILLFUSA-N 303.494 3.223 10 10 DGCE Cn1cc(NCc2cccc(Br)c2O)c(C2CC2)n1 812775697 FCPPLZRBPDJMHP-UHFFFAOYSA-N 322.206 3.378 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=S)NCc2ccccc2)c1 728794083 XCEOEHVJVZBABB-LBPRGKRZSA-N 316.426 3.126 10 10 DGCE CO[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)C1CCC1 822898074 HTXAPZJBTNKYDV-SFHVURJKSA-N 318.461 3.305 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@@H](CO)C2CCCCC2)cc1 835041364 BRDXRYUOOBGVJV-RURPWVQCSA-N 302.462 3.297 10 10 DGCE Cc1cc(O)c(CNCC2CCN(C3CC3)CC2)c(Cl)c1 840941479 ZDCRLYZYSBXIRI-UHFFFAOYSA-N 308.853 3.318 10 10 DGCE CC(=O)N(C)c1ccc(NCc2c(O)cc(C)cc2Cl)cn1 841505243 FVLQWABADTZOKS-UHFFFAOYSA-N 319.792 3.344 10 10 DGCE CC[C@@H](NC[C@]1(C(F)(F)F)CCCN1)c1ccccc1O 925853369 INULGCWVLYLHKD-OCCSQVGLSA-N 302.340 3.117 10 10 DGCE COC[C@@H](CN(Cc1cccs1)c1ccc(OC)cc1)OC 851835960 JMVNRTPGUXACDI-MRXNPFEDSA-N 321.442 3.425 10 10 DGCE CC[C@H](C)CCC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855223264 FBFUQCMCLLAIAX-LSDHHAIUSA-N 304.434 3.216 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@]3(C)C2)cc1 855841256 KHLUOQHZBKUUAP-XLIONFOSSA-N 324.424 3.203 10 10 DGCE C[C@H](O)c1ccc(N2CC=C(c3c[nH]c4ncccc34)CC2)nc1 865425568 RPYKRGQEESFOJJ-ZDUSSCGKSA-N 320.396 3.305 10 10 DGCE CCCOC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2 769664506 FWHPPXPDOMQMHF-UHFFFAOYSA-N 314.429 3.361 10 10 DGCE Cc1cc(N(C)C)ccc1CNC[C@@H]1CCN1C1CCCC1 862522836 IVQRLKZJBZAJFZ-IBGZPJMESA-N 301.478 3.168 10 10 DGCE CO[C@H](C)CN(C(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(C)C 776237582 CFQYQBUFBWKKNL-HUUCEWRRSA-N 321.465 3.269 10 10 DGCE CC[C@H](NC(=O)NCc1ccc(N(C)C)cc1C)C(F)(F)F 786770249 ZLQOQPPDAXJCLB-ZDUSSCGKSA-N 317.355 3.201 10 10 DGCE COc1ccc(N(C)Cc2ccc(-c3cc[nH]n3)o2)cc1F 789750036 ZCCGBEPTKLOZBM-UHFFFAOYSA-N 301.321 3.454 10 10 DGCE O=C(NCc1ccccc1O)c1ccc([C@H]2CCCOC2)cc1 780452162 RRMDPHQCFSEBKR-KRWDZBQOSA-N 311.381 3.216 10 10 DGCE C[C@@H]1C[C@H]1Cn1c(C2CC2)nnc1N(C)Cc1ccccc1O 1304952949 XCNHOVISQOKBLL-DOMZBBRYSA-N 312.417 3.154 10 10 DGCE C[C@H](N[C@H](C)CN(C)C(=O)OC(C)(C)C)c1c(O)cccc1O 701923866 JYCWGUIVNGUCST-NEPJUHHUSA-N 324.421 3.004 10 10 DGCE CO[C@H](C)CN(Cc1c(O)cccc1Br)C(C)C 707142900 NKJIPEHYZPHTHA-LLVKDONJSA-N 316.239 3.400 10 10 DGCE C[C@H](N)c1ccc(N2CCC(F)CC2)cc1Br 689404778 DUDYWMMDUFYADP-VIFPVBQESA-N 301.203 3.407 10 10 DGCE Cc1cc(C(=O)Nc2c(Cl)ccc3nonc23)c(C)n1C 1436138492 QLYSCCVCCKODOB-UHFFFAOYSA-N 304.737 3.084 10 10 DGCE O=C(Nc1ccc(-c2ccc[nH]2)cc1)c1c(F)ccc(O)c1O 1457721228 MNDDEJTVZFWPCB-UHFFFAOYSA-N 312.300 3.484 10 10 DGCE COc1ccc(CN(C)C(=O)c2cccc(O)c2O)cc1Cl 1299458093 UURXXCNMUOXRRX-UHFFFAOYSA-N 321.760 3.032 10 10 DGCE COc1cc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)n(C)n1 1538249284 OGJZZASDFCEUFM-UHFFFAOYSA-N 324.384 3.089 10 10 DGCE COC(=O)[C@]1(NCc2ccc(N(C)C)c(C)c2)CC[C@H](C)CC1 1460392872 XGWKEWDRQGFAOL-QUWSVYMGSA-N 318.461 3.273 10 10 DGCE CC(C)(C)n1nccc1NC(=O)c1ccc(N=NC(N)=O)cc1 1633742569 ZHNUMDONIAZZAQ-UHFFFAOYSA-N 314.349 3.053 10 10 DGCE COC(=O)COc1ccc(N(C)CCc2ccc(C)cc2)cc1 1642689273 NWVGJIPPBLGQHV-UHFFFAOYSA-N 313.397 3.226 10 10 DGCE CCCn1cc(NC(=O)c2cc3cc(O)c(O)cc3s2)cn1 1586832312 MOGJFWHDMSQEEH-UHFFFAOYSA-N 317.370 3.171 10 10 DGCE Nc1ccc(CCNC(=O)/C=C/c2cc3ccccc3o2)cc1 152548022 VLCXHJIGNULXQM-MDZDMXLPSA-N 306.365 3.387 10 10 DGCE CCN(Cc1ccccc1)C(=O)CN1CCC[C@H](CN=[N+]=[N-])C1 1912145616 JGTVDBJACBIOEV-MRXNPFEDSA-N 315.421 3.057 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCO[C@H]2CCC[C@H]21 228143475 JZZSWFVTIMMKTK-OLZOCXBDSA-N 302.201 3.452 10 10 DGCE CN[C@H](c1ccccc1O)[C@H]1C[C@@H](F)CN1C(=O)OC(C)(C)C 1938632068 LSDKBRIWXFYNSL-UXIGCNINSA-N 324.396 3.000 10 10 DGCE C[C@@H]1C[C@@H](NCc2ccc3c(c2)CCO3)CN1Cc1ccccc1 237485281 NDHZPSXQJVBARO-OXQOHEQNSA-N 322.452 3.374 10 10 DGCE Cc1cccc(O)c1CNCCC[C@H](C)NC(=O)OC(C)(C)C 1971938747 ITHGTVBKGXHFGH-AWEZNQCLSA-N 322.449 3.484 10 10 DGCE C[C@H]1OCC[C@H]1CCNCc1ccc(Br)cc1O 1972143520 BQXYHVLNUIFZCB-GHMZBOCLSA-N 314.223 3.059 10 10 DGCE C[C@@H](O)c1ccc(N2CC[C@@H]2C(F)F)c(Br)c1 2004490909 OQCITAGADOWTDV-RDDDGLTNSA-N 306.150 3.346 10 10 DGCE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N(C)c1ccc(N)cc1 1978219308 CHKBBWBBZSSXHN-XJKSGUPXSA-N 319.449 3.351 10 10 DGCE C[C@@H]1CCN(Cc2ccccc2)CCN1c1ccc(CO)cc1 1990934831 MNJXAZHDGBVXAU-QGZVFWFLSA-N 310.441 3.280 10 10 DGCE C[C@]1(C(F)F)C[C@@H]1NCc1c(O)cccc1Br 2008235848 ISSGRQGPPZQERG-JQWIXIFHSA-N 306.150 3.288 10 10 DGCE CN(c1ccc(CO)cc1Br)C1CC(C(F)F)C1 2035705774 SYFBIMAXEFQUDQ-UHFFFAOYSA-N 320.177 3.421 10 10 DGCE CN(C[C@H]1CC(C)(C)CO1)c1cc(Cl)c(CN)cc1F 2177384812 DKXPIIYNQQPMOX-LLVKDONJSA-N 300.805 3.189 10 10 DGCE C[C@@H](c1ccccc1O)N(C)c1cnncc1Br 2072466034 AEWVFSXXRWXUHZ-VIFPVBQESA-N 308.179 3.142 10 10 DGCE O=C(Nc1ccc(O)c(O)c1)C1(c2ccncc2)CC2(CCC2)C1 2064523663 KLFMMBAFVFBKFB-UHFFFAOYSA-N 324.380 3.333 10 10 DGCE CCC[C@@H](COC)N(C)Cc1cc(Br)ccc1O 2047299172 SBPHGGJENAGCIA-ZDUSSCGKSA-N 316.239 3.402 10 10 DGCE Cc1ncnc(C)c1NCc1cc(Br)ccc1O 2067223083 OUOHCFOLZGWGGH-UHFFFAOYSA-N 308.179 3.174 10 10 DGCE CCCN(c1cc(Cl)c(CN)cc1F)[C@@H]1CCCOC1 2197191122 OQVNRUISBYTGDN-GFCCVEGCSA-N 300.805 3.333 10 10 DGCE CN(C)C[C@H]1C[C@H](NCc2cc(Cl)cc(Cl)c2O)C1 2113145742 FIEQQOBQTDXNEG-OTCDBFHCSA-N 303.233 3.129 10 10 DGCE Cc1ccc(Br)c(C(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])n1 2225797777 GYGFPICIQHTPTI-UWVGGRQHSA-N 324.182 3.114 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NC(=O)c1cc(Cl)cnc1Cl 2228448589 BBBAJPBMEWQOOI-DTWKUNHWSA-N 300.149 3.350 10 10 DGCE COc1ccc(NCc2cccc(O)c2O)c(Br)c1 2229051033 XETFKDHSEFUERN-UHFFFAOYSA-N 324.174 3.481 10 10 DGCE CC(C)(C)OC(=O)NC[C@]1(C)CCC[C@@]1(N)c1ccccc1O 2244466443 JYNOMHPSYRLDCO-ZWKOTPCHSA-N 320.433 3.261 10 10 DGCE C[C@H](N)c1ccc(N(C)CCC[C@@H](C)O)cc1Br 2314472472 RLPQJGUWFLNRQX-MNOVXSKESA-N 315.255 3.066 10 10 DGCE CN(C)c1ccc(/C=C2/N=C(Cc3ccccc3)OC2=O)cc1 242410963 BGHABOJRQSCXQQ-UHFFFAOYSA-N 306.365 3.292 10 10 DGCE O=C1N=C(O)/C(=C\C=C/c2ccco2)C(=O)N1c1ccccc1 33314782 LICICFGYOWUDIY-PZIMUTROSA-N 308.293 3.343 10 10 DGCE COc1ncc(Cl)c(N(Cc2ccc(N)cc2)C(C)C)n1 125994666 QCWNTEGZWKGOPJ-UHFFFAOYSA-N 306.797 3.136 10 10 DGCE Cc1cc(OCCC(F)(F)F)ccc1N1CCC[C@@H](N)C1 157876772 BGLPOUUXSAJXIL-GFCCVEGCSA-N 302.340 3.254 10 10 DGCE O=[N+]([O-])c1ccc(O)c(CN2CCc3c([nH]c4ccccc34)C2)c1 179091576 XFNAFYCJWGKHBL-UHFFFAOYSA-N 323.352 3.340 10 10 DGCE CN(C)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 242757698 DKOAGKIEDBGAJZ-UHFFFAOYSA-N 310.806 3.207 10 10 DGCE C[C@H](CO[C@@H]1CCOC1)N[C@H](C)c1ccc2ccccc2c1O 248525316 UJURBEHJQQPTDF-IIAWOOMASA-N 315.413 3.390 10 10 DGCE COCCn1c(C)c(C)c2cc(C(=O)NCC[C@@H](C)F)ccc21 356691470 QMDUEEWODVBXKG-GFCCVEGCSA-N 320.408 3.382 10 10 DGCE C[C@@H]1C[C@H](NCc2cc(F)ccc2O)CN1Cc1ccccc1 398031103 NLYUMYJYOPMWFR-KDOFPFPSSA-N 314.404 3.284 10 10 DGCE Nc1ccc(O)c(CN2CCc3cccc(Br)c32)c1 713311090 MOMBGCXEHVNPOU-UHFFFAOYSA-N 319.202 3.300 10 10 DGCE COc1cc(Cl)cc(CNCc2cnc(Cl)s2)c1O 718205545 UDZOJHSVEJCVLS-UHFFFAOYSA-N 319.213 3.454 10 10 DGCE C[C@@H]1CN(C(=O)c2cc(O)cs2)C[C@H](c2ccccc2)O1 731871063 DAWJXXCFHAXUGG-BXUZGUMPSA-N 303.383 3.056 10 10 DGCE O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1C[C@H]2CC[C@H]1C2 740918913 VBKASCVBCLLHKS-BQFCYCMXSA-N 311.429 3.051 10 10 DGCE COc1ccc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)nc1 742134389 VOJCWULIDXZILY-UHFFFAOYSA-N 322.368 3.145 10 10 DGCE C[C@H]1CC[C@@H](C(N)=O)CN1Cc1cc(-c2ccccc2)ccc1O 768443049 YBQMOZWONSGMHX-WMLDXEAASA-N 324.424 3.145 10 10 DGCE Cc1ccc(CCC(=O)N[C@H](C)c2ccc(N(C)C)cc2)o1 773021110 YFONQNZSHASRRG-CQSZACIVSA-N 300.402 3.464 10 10 DGCE COC(=O)c1cc(NCc2ccccc2O)cc(C)c1[N+](=O)[O-] 774524428 STASEQQLZMZYKD-UHFFFAOYSA-N 316.313 3.008 10 10 DGCE C[C@]12CCN(Cc3c(O)ccc4ccncc34)C[C@@H]1C2(F)F 793535501 XDUOLLOKUIPUQS-HOTGVXAUSA-N 304.340 3.418 10 10 DGCE CCO[C@@H]1C[C@H](N[C@@H](CC)c2ccccc2O)[C@@H]1n1cccn1 815659382 AFYDAPWLTAHDGY-ONIAQPFYSA-N 315.417 3.048 10 10 DGCE C[C@@H]1CN(C/C=C/c2ccc(N(C)C)cc2)C[C@@H](C2CC2)O1 835055029 UZKGNEMOGQIEJA-LTGPNDRFSA-N 300.446 3.265 10 10 DGCE Cn1ccnc1[C@H]1N(Cc2cc3c(cc2O)CCC3)CC1(C)C 840106781 HOGAKQGQLKTSKL-QGZVFWFLSA-N 311.429 3.198 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCC[C@H]1C1CC1 843851881 SVIYKVGPTXQDKY-KCXAZCMYSA-N 317.429 3.361 10 10 DGCE Cc1ccccc1-n1c(C)cc(C(=O)N2CCC23COC3)c1C 854837797 SGRUNBKVAHYXRT-UHFFFAOYSA-N 310.397 3.017 10 10 DGCE O=C(C[C@H]1CCC(F)(F)C1)NCc1ccc2cccnc2c1O 862026519 QZZAZPUCHQULMQ-LLVKDONJSA-N 320.339 3.382 10 10 DGCE O=C1/C(=C\c2ccc(C(F)F)nc2)SC(=S)N1C1CC1 864356637 SLTARDSLNMCTAG-BJMVGYQFSA-N 312.366 3.383 10 10 DGCE Cc1nc(C)c(CNC(=O)N[C@@H](C)c2ccccc2O)s1 868313334 JQSPWBFZQDJESW-VIFPVBQESA-N 305.403 3.026 10 10 DGCE COc1ccc(C(=O)N2Cc3cccc(O)c3C2)cc1C1CC1 871204896 RZHLQMDIGIQBPS-UHFFFAOYSA-N 309.365 3.434 10 10 DGCE Cc1cc(O)c(CN2CC[C@@](CO)(C(F)(F)F)C2)c(Cl)c1 895835824 FSHOHMZLKLMFGS-CYBMUJFWSA-N 323.742 3.101 10 10 DGCE CSC1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 899153035 FCJBAFDPXQYCAR-UHFFFAOYSA-N 323.439 3.280 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)NC[C@H]1C=CCC1 1246266475 NIIIYWCGTSRFEB-ZDUSSCGKSA-N 300.402 3.036 10 10 DGCE CCOC1(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)CCC1 1290375227 WKIIQXFRWBBAJY-UHFFFAOYSA-N 316.445 3.204 10 10 DGCE CC[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(O)c(O)c1 1443672419 HUXHXDNMGKZGNW-AWEZNQCLSA-N 313.397 3.468 10 10 DGCE CCN(CCOC)C(=O)Cc1cc(C)n(-c2ccccc2)c1C 1520951242 DFYQULRIYDRELP-UHFFFAOYSA-N 314.429 3.132 10 10 DGCE Cc1cncc(/C=C/C(=O)N2CCOc3c(F)ccc(F)c32)c1 1527646019 AULYJMWQCNKZOI-GORDUTHDSA-N 316.307 3.107 10 10 DGCE C[C@@H]1CCc2ccccc2N1C(=O)/C=C\c1ccc(O)c(O)c1 1540435733 XHGPLWXNJADGNW-BIRHUZIMSA-N 309.365 3.479 10 10 DGCE O=C(Nc1c2c(cc3c1CCC3)CCC2)c1cccc(O)c1O 1569983140 PZLSPHJSQZQLIE-UHFFFAOYSA-N 309.365 3.328 10 10 DGCE Cc1cc(CC(=O)N(C)c2cn[nH]c2)c(C)n1-c1ccccc1 1630408823 ZJENEIFDDDZPCE-UHFFFAOYSA-N 308.385 3.023 10 10 DGCE COc1ccc2[nH]cc(C3=CCN(c4cnc(F)cn4)CC3)c2c1 1639301740 BNMJCUWUNWONST-UHFFFAOYSA-N 324.359 3.399 10 10 DGCE CC(=O)c1ccc(NC(=O)N2Cc3cccc(O)c3C2)cc1C 1659978515 LQDNHSFTBKZNRS-UHFFFAOYSA-N 310.353 3.451 10 10 DGCE CCC1(CC)[C@@H](OC)C[C@H]1NC(=O)NCc1cc(C)ccc1O 1680882766 SIAGCMHQFXEBSP-CVEARBPZSA-N 320.433 3.094 10 10 DGCE Nc1ccc(NC(=O)c2cc(N)c(F)cc2Br)cc1 1876510443 BPPAKMBRDMPINF-UHFFFAOYSA-N 324.153 3.005 10 10 DGCE CC[C@@H](O)CN(Cc1ccccc1)c1ccc(CNC)cc1C 1915423964 QOOCBHMWCSDXBU-LJQANCHMSA-N 312.457 3.492 10 10 DGCE CCC[C@@H](C[C@@H](N)c1ccccc1O)NC(=O)OC(C)(C)C 1928469462 IJSIADFZUUAFLO-GXTWGEPZSA-N 308.422 3.476 10 10 DGCE CCN[C@H](CCN(C)C(=O)OC(C)(C)C)c1ccccc1O 1928471572 VRZSITBCKOOGSS-CQSZACIVSA-N 308.422 3.300 10 10 DGCE C[C@H]1[C@@H](CNCc2ccc(Br)cc2O)C1(F)F 1947969037 GEHUGIBEMYHIEC-OIBJUYFYSA-N 306.150 3.146 10 10 DGCE Oc1c(Br)cc(Cl)cc1[C@H]1CSCCN1 1952337317 YWGWETFBHSEQQD-SECBINFHSA-N 308.628 3.186 10 10 DGCE CC(C)(C)OC(=O)Nc1cccc(O)c1[C@H]1NCCCCC1=O 1952981845 KJOXUNLEYYRCSX-HNNXBMFYSA-N 320.389 3.123 10 10 DGCE C[C@@H]1CCN(CCCN=[N+]=[N-])C[C@@H]1CNC(=O)OC(C)(C)C 1962306135 YFUVKIIMHJXQOJ-OLZOCXBDSA-N 311.430 3.170 10 10 DGCE C[C@]1(CNCc2cc(Br)ccc2O)CCCOC1 1962990440 YLVQTVQYPRGLSD-CQSZACIVSA-N 314.223 3.061 10 10 DGCE C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@H](C)C1N 1968000568 IAIKHPRRBFSTOU-IUCAKERBSA-N 303.233 3.114 10 10 DGCE CCN(CC[C@H](N)c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C 1977945210 MIENQRGZESRLFT-INIZCTEOSA-N 321.465 3.400 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2CN(CCCN=[N+]=[N-])C(C)(C)[C@H]2C1 1982247421 HTVXEYMLSPENCN-OLZOCXBDSA-N 323.441 3.264 10 10 DGCE CCC1(CNCc2ccccc2O)CN(C(=O)OC(C)(C)C)C1 1983971192 BPXNNXNMHIUMQN-UHFFFAOYSA-N 320.433 3.129 10 10 DGCE CC(C)(C)OC(=O)NC1CC2(CC[C@]2(N)c2ccccc2O)C1 1986333050 NFFKKPDOWGUSII-WQHGFJKVSA-N 318.417 3.014 10 10 DGCE CC[C@H](N[C@@H]1CC[C@H]1NC(=O)OC(C)(C)C)c1ccccc1O 1986711756 GLFCCIHMUYRLDV-RRFJBIMHSA-N 320.433 3.489 10 10 DGCE C[C@]1(C(F)F)CCN(c2ccc(CO)cc2Br)C1 2054240384 JSIRVYAZIZHFHJ-ZDUSSCGKSA-N 320.177 3.423 10 10 DGCE CC1(C)CCOCCN1Cc1c(O)cccc1Br 2062073429 VVGJDFPCFBLRDC-UHFFFAOYSA-N 314.223 3.156 10 10 DGCE COc1ccc(O)c(Cn2ncc(C3CC3)c2Br)c1 2070260205 VKQHLZYDOZVMIJ-UHFFFAOYSA-N 323.190 3.286 10 10 DGCE Nc1c(C2CCC2)cnn1Cc1cccc(Br)c1O 2070310866 XDGOWQQFHKLFRO-UHFFFAOYSA-N 322.206 3.249 10 10 DGCE CNCc1ccc(OC[C@@]2(Br)CC2(F)F)c(C)c1 2082482741 WSHPWPJOVGNZSP-LBPRGKRZSA-N 320.177 3.266 10 10 DGCE O=C(O)C=Cc1ccc(N2CC(C(F)(F)F)C2)c(Cl)c1 2152274573 PSQHSHPNKLVBMK-UHFFFAOYSA-N 305.683 3.436 10 10 DGCE O=S(=O)(Nc1ccc(O)c(C(F)(F)F)c1)C1CCCC1 2152908210 YHNUMNFLXJFGQT-UHFFFAOYSA-N 309.309 3.095 10 10 DGCE CN1CCc2cc([C@H](N)[C@H](O)c3csc(Cl)c3)ccc21 2163140335 IECJMJFDGBPIRA-LSDHHAIUSA-N 308.834 3.127 10 10 DGCE CCN[C@]1(C(=O)O)C[C@@H](CC)C[C@@H](Sc2nccs2)C1 2175485679 AGVXHAKMKSSHPQ-MISXGVKJSA-N 314.476 3.247 10 10 DGCE CSc1ncc(CNC2CCN(CC=C(C)C)CC2)s1 2208495417 NJFILGMTQJRHMS-UHFFFAOYSA-N 311.520 3.385 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)c2cc(Cl)cnc2Cl)C1 2228450938 NPAXYWZPUAUQKT-MRVPVSSYSA-N 300.149 3.303 10 10 DGCE C[C@@H](N)c1ccc(N(C)CC2(F)CCOCC2)c(Cl)c1 2238279066 JHIWZFIXJSUXKY-LLVKDONJSA-N 300.805 3.315 10 10 DGCE Cc1ccc(OCc2c(F)cccc2Br)c(N)n1 2260881035 JYVIOMZAVCVSLZ-UHFFFAOYSA-N 311.154 3.453 10 10 DGCE CC(C)NCc1ccc(N(C)Cc2nncs2)cc1Cl 2281362673 KCBMAWUZSLEJCX-UHFFFAOYSA-N 310.854 3.326 10 10 DGCE Cc1ncc(C=CC(=O)N2CCCc3cccc(O)c32)s1 2307800168 QAWIIWUJJSYFQH-UHFFFAOYSA-N 300.383 3.150 10 10 DGCE C[C@H](CCc1ccccc1)NC(=O)C=Cc1ccc(O)c(O)c1 2307978597 MIZUXGAPHCZFJQ-CQSZACIVSA-N 311.381 3.249 10 10 DGCE Oc1cccc(Br)c1CNC[C@@H]1C[C@@H]2C=C[C@H]1C2 2309756347 MEUGQRJTQHETPO-WOPDTQHZSA-N 308.219 3.457 10 10 DGCE CCN1C(=O)C(=Cc2cccc(Cl)c2)C(C(=O)OC)=C1C 2313510833 XWMSLBOLMSWTHO-UHFFFAOYSA-N 305.761 3.033 10 10 DGCE c1ccc(N=NN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 2330232451 QIXQLQSYSURUIR-UHFFFAOYSA-N 324.384 3.232 10 10 DGCE O=C1N=C(O)/C(=C\C=C/c2ccco2)C(=O)N1C1CCCCC1 33315391 PEPFVDSMVQEEGF-PZIMUTROSA-N 314.341 3.471 10 10 DGCE CC[C@@H](C)[C@@H](NCc1cc(Cl)cc(Cl)c1O)C(=O)OC 37103117 UIGDVFOJCVGSRB-PRHODGIISA-N 320.216 3.376 10 10 DGCE C[C@@H]1CN(c2ccc(CN)c(C(F)(F)F)c2)CC(C)(C)O1 45661210 LNLVQDOQIASZQR-SNVBAGLBSA-N 302.340 3.168 10 10 DGCE Cc1ccc(OCC(=O)N(C)c2ccc(N)cc2)c(Cl)c1 54348908 RIIPFMZOOKDRCL-UHFFFAOYSA-N 304.777 3.272 10 10 DGCE Cc1ccc(O)c(CNc2cc(S(C)(=O)=O)ccc2C)c1 71407389 HMJQEKAAGSTMRJ-UHFFFAOYSA-N 305.399 3.025 10 10 DGCE CN[C@H]1CCN(c2ccc(OC)c(Br)c2)[C@H](C)C1 88320429 MSIGWHURSTWUCX-MNOVXSKESA-N 313.239 3.034 10 10 DGCE CCOc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1F 96314365 TUXRQADEFCNOCC-UHFFFAOYSA-N 324.396 3.282 10 10 DGCE COc1ccc([C@H](CN)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c(O)c1 105071741 BQURNKBJRKCNJO-AZOIQLNYSA-N 318.461 3.301 10 10 DGCE COc1ccc(CN[C@H]2CCN(Cc3ccccc3)C2)cc1C 105368385 WGAXCKVUMYJQJM-IBGZPJMESA-N 310.441 3.368 10 10 DGCE Cc1cccc(NC[C@@H]2CCN(Cc3cc(F)ccc3O)C2)n1 180043811 AGIYDWRCIULKTD-AWEZNQCLSA-N 315.392 3.169 10 10 DGCE CCOc1ccccc1NC(=S)NCc1ncccc1C 242653487 CRWHMIWYMVTEDB-UHFFFAOYSA-N 301.415 3.275 10 10 DGCE CC[C@H](N[C@@H]1CCO[C@H]1C)c1cc(Br)ccc1O 251136214 ZJHCCHLRKOXBPW-TVYUQYBPSA-N 314.223 3.373 10 10 DGCE CN(C)c1ccc(CN[C@H]2CCCc3nc(O)ccc32)cc1F 264968944 QHGSTEMPFJEESY-HNNXBMFYSA-N 315.392 3.160 10 10 DGCE Cc1cc(N2CC[C@@H](COCc3ccccc3)C2)ccc1CN 383908472 PHVACVSNPXEYEV-GOSISDBHSA-N 310.441 3.497 10 10 DGCE CCNCc1ccc(N2CC[C@@H]3C[C@@H]3C2)c(Br)c1 699277276 SOHIFARGVHNNFB-CHWSQXEVSA-N 309.251 3.405 10 10 DGCE C[C@]12CNC[C@]1(C)CN(Cc1cc(Cl)cc(Cl)c1O)C2 705686567 YNRNHQXLGOEUCL-HUUCEWRRSA-N 315.244 3.130 10 10 DGCE CCN(CCOC)Cc1cc(Cl)cc(Br)c1O 708133188 IKKZCZRDVUCSSE-UHFFFAOYSA-N 322.630 3.276 10 10 DGCE Oc1c(CNC[C@H]2CCN2Cc2ccccc2)ccc(F)c1F 716300545 WGWTZHWFOJTSTI-OAHLLOKOSA-N 318.367 3.035 10 10 DGCE COC(=O)c1cc(F)ccc1CN(C)c1ccc(OC)c(F)c1 757853204 WHQRMLAFIWDJKA-UHFFFAOYSA-N 321.323 3.396 10 10 DGCE Cc1cc(Cl)cc(CN2C[C@H](O)Cc3ccccc32)c1O 789761141 BAQIEGVMNVIBRS-OAHLLOKOSA-N 303.789 3.278 10 10 DGCE Cc1nc2ccc(S(=O)(=O)Nc3ccc(O)cc3)cc2s1 793348786 FACAQWBGSHGQEL-UHFFFAOYSA-N 320.395 3.111 10 10 DGCE Cc1c(Cl)c(CN(C)Cc2ccc(N(C)C)cc2)nn1C 817406256 UIOFBJIOLKTLIQ-UHFFFAOYSA-N 306.841 3.080 10 10 DGCE Cc1cnc(NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)o1 820633214 AREVZXCZMDCZBD-STQMWFEESA-N 319.380 3.348 10 10 DGCE C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1CCC(F)CC1 824689131 ZQCSRHMHASGXGK-ZBOXLXRLSA-N 320.368 3.496 10 10 DGCE Cc1cc(O)c(CN2CCC[C@H](C(=O)NC(C)C)C2)c(Cl)c1 827687139 LJFYYXXVBJPECX-ZDUSSCGKSA-N 324.852 3.091 10 10 DGCE Cc1noc(C2CCC(N[C@H]3CCc4cccc(O)c43)CC2)n1 834676563 WGPBKGNAGMGPLP-NRXISQOPSA-N 313.401 3.387 10 10 DGCE Nc1ccc(NC(=O)NCc2ccc(CN3CCCC3)cc2)cc1 841302302 SDIGOEPMGZXKME-UHFFFAOYSA-N 324.428 3.186 10 10 DGCE Cc1cc(C(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)c(C)n1-c1ccccn1 844108130 RWUXSRXOZYKUNE-BZUAXINKSA-N 309.413 3.408 10 10 DGCE COc1ccc2c(c1)CN(Cc1ccc(N(C)C)c(F)c1)C2 848925514 FTSPXWAVAKSGDH-UHFFFAOYSA-N 300.377 3.416 10 10 DGCE C[C@@]1(CNC(=O)NCc2ccc(N3CCCC3)cc2)CC1(F)F 851986473 AQWXYUHADHBYGT-INIZCTEOSA-N 323.387 3.131 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H]1CCN(C)C(C)(C)C1 858179551 NWTPWPKHXGRDBL-FUHWJXTLSA-N 317.521 3.454 10 10 DGCE C[C@H](N[C@@H]1CO[C@@H](C2CC2)C1)c1cc2c(cc1O)CCCC2 858547093 ISCXTLLYBCPSOG-XGINMYPSSA-N 301.430 3.489 10 10 DGCE C[C@@H](CC(=O)NCc1c(O)ccc2c1CCCC2)C(F)(F)F 860243527 PFDLZDXKQKZHCM-JTQLQIEISA-N 315.335 3.476 10 10 DGCE Oc1c(Cl)cccc1CNC[C@@H]1Cc2ccccc2CO1 862435957 RCLJYTVDJZRTBM-HNNXBMFYSA-N 303.789 3.277 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)C[C@H]2CCC3(CCC3)O2)c1 896162430 DRJBKJCXWKHORC-GXTWGEPZSA-N 319.401 3.070 10 10 DGCE CN(C)[C@H](CCNCc1cccc(Cl)c1O)C(F)(F)F 896877862 FWVDKPGUPQEEMD-LLVKDONJSA-N 310.747 3.018 10 10 DGCE CC[C@H](CSC)NC(=O)c1cc2cc(O)c(O)cc2s1 897307060 GUICBRZJNALFSV-SECBINFHSA-N 311.428 3.184 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)C2=CCCCCC2)cc1 1164597475 OMGNCCKCCBVYQJ-UHFFFAOYSA-N 316.445 3.480 10 10 DGCE C[C@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)[C@H]1CCCO1 1264286942 DPJFFIMPOMDHQI-MAUKXSAKSA-N 316.445 3.060 10 10 DGCE CC(C)(O)CNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 1306958882 LNLBBAFCFQMWPH-UHFFFAOYSA-N 314.341 3.009 10 10 DGCE COc1ccc(N2CC[C@@H](Nc3ncc4ccccc4n3)C2)cc1 1347920622 WSWXMTTYLBHVLP-OAHLLOKOSA-N 320.396 3.329 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cccc(F)n1 1351162092 CMAHQDONCGCWLC-UHFFFAOYSA-N 313.376 3.093 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)cc1 1534246035 RCNDOYILPKZRDA-OKDNKWQNSA-N 300.446 3.441 10 10 DGCE Cc1cc(CN2[C@H](C)CC[C@@H]2CO)ccc1N1CCCCC1 1560104682 BYGVIMKUFAKWLD-SJLPKXTDSA-N 302.462 3.331 10 10 DGCE O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCc1cccc(Cl)c1O 1613057026 VLUZHINMJKPRRQ-UHFFFAOYSA-N 323.692 3.474 10 10 DGCE C[C@@H](NCc1cc(O)nc(-c2ccccc2)n1)c1ccccc1O 1620505374 XWXMYLDONKWGBH-CYBMUJFWSA-N 321.380 3.406 10 10 DGCE Cc1ccc(C)c(CC(=O)NCc2ccc3cccnc3c2O)c1 1627069487 OFFGDCIFIRMPOQ-UHFFFAOYSA-N 320.392 3.416 10 10 DGCE CCCOc1ccc(NC(=O)c2cccc(O)c2O)cc1C 1631093336 FBUFMDUFHFGYJJ-UHFFFAOYSA-N 301.342 3.447 10 10 DGCE O=C(NCc1c(O)cccc1F)N[C@@H]1CCC[C@H](C2CC2)C1 1636314716 WNNCMPSABQMPPX-QWHCGFSZSA-N 306.381 3.299 10 10 DGCE CSc1cc(C(=O)NCc2ccc3cccnc3c2O)co1 1638573259 PEYYFAFSLQTMEM-UHFFFAOYSA-N 314.366 3.185 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2cnc3c(F)cccc3c2)c1 1640796425 DIKZFOWJCZRAEO-UHFFFAOYSA-N 310.328 3.318 10 10 DGCE C[C@@H](NC(=O)CCC(=O)c1cccc(F)c1)c1ccccc1O 1642827653 NSSXFLQAFXSMFU-GFCCVEGCSA-N 315.344 3.372 10 10 DGCE Cc1cc(C(=O)N[C@H](C)c2ccccc2O)cc(NC2CC2)n1 1643741842 BXFQSTVGUQNKGL-GFCCVEGCSA-N 311.385 3.161 10 10 DGCE C[C@H](NC(=O)[C@@H](O)C1CCCCCCC1)c1ccccc1O 1643745656 VGAZMQFAMXWOIP-GUYCJALGSA-N 305.418 3.291 10 10 DGCE CC(C)[C@@H]1C[C@H](N2CCCC2)CN1Cc1ccc(N(C)C)cc1 1648591424 LDGVNOFIRZHVHX-PMACEKPBSA-N 315.505 3.447 10 10 DGCE COc1cc(CN2CCOc3cc(N(C)C)ccc32)ccc1C 1658083300 WNBNOWMUKWHVLU-UHFFFAOYSA-N 312.413 3.469 10 10 DGCE O=C(NCc1cccc(Cl)c1O)NC[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]12 1684804368 VXFUYPRPMZAOMK-PDWCTOEPSA-N 320.820 3.137 10 10 DGCE CCN(CCNCc1ccc(OC)c(C)c1)C(=O)CC1(C)CC1 1732786785 XRPPCMHTRDBJDL-UHFFFAOYSA-N 318.461 3.132 10 10 DGCE CN(c1ccc(CN)c(Cl)c1)C1CCP(C)(=O)CC1 1879106724 KIKZRLXBZYZBMB-UHFFFAOYSA-N 300.770 3.390 10 10 DGCE Cc1csc(C)c1S(=O)(=O)N1CCC[C@@H](CN=[N+]=[N-])C1 1912165063 FTILAPNAAPYNMV-NSHDSACASA-N 314.436 3.076 10 10 DGCE CCc1ccc(S(=O)(=O)N2CCC[C@H](CN=[N+]=[N-])C2)s1 1912191626 UEKBQJSYFAJTIL-SNVBAGLBSA-N 314.436 3.022 10 10 DGCE COc1ccc(N(Cc2ccccc2)CC(C)(C)O)c(N)c1 1915399671 CDDVHMIBAYMHOE-UHFFFAOYSA-N 300.402 3.055 10 10 DGCE OCc1cc(F)c(N(Cc2ccccc2)[C@H]2CCOC2)c(F)c1 1915435533 AYKBASQHNVGHCK-HNNXBMFYSA-N 319.351 3.253 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H]1C[C@@H](N)c1ccccc1O 1928469220 FXJLQJTYEVIDNU-TZMCWYRMSA-N 306.406 3.182 10 10 DGCE C[C@@H](N)c1ccc(N2CC(OCc3ccccc3)C2)c(F)c1 1958972988 MIJAZRJKBOLVDK-CYBMUJFWSA-N 300.377 3.251 10 10 DGCE C[C@H]1[C@H](C)CC[C@@H](CNC(=O)OC(C)(C)C)N1CCN=[N+]=[N-] 1962304409 MXPNRQLBRFOLKO-AGIUHOORSA-N 311.430 3.310 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNCC12CC(CCO1)C2 1966042788 YIBVUKJIEGTJCE-UHFFFAOYSA-N 302.201 3.358 10 10 DGCE CN[C@H](C[C@@H](C)NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1977946119 SYIPQZNFQIDDGQ-CZUORRHYSA-N 321.465 3.316 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(c3ccc(N)cc3)C[C@H]21 1977969914 HAQFSXTXNBCRMV-APHBMKBZSA-N 317.433 3.008 10 10 DGCE Oc1cc(Br)ccc1CNC[C@@H]1C[C@H]1C(F)F 1997383775 RFIMGAQCBMYBJW-WCBMZHEXSA-N 306.150 3.146 10 10 DGCE CCC[C@H](COC)N(C)c1ccc(CN)c(Br)c1 2047301493 KAGJOHUPJPLGEU-CYBMUJFWSA-N 315.255 3.159 10 10 DGCE C[C@H]1C[C@H]1N(C)c1ccc(C=CC(=O)O)cc1Br 2052757055 MPDNVQOFUZECAZ-TVQRCGJNSA-N 310.191 3.392 10 10 DGCE Cc1cocc1CN(C)c1ccc(CN)c(Br)c1 2066413856 PKRDTLXYLBDJCE-UHFFFAOYSA-N 309.207 3.446 10 10 DGCE CC[C@H](NC[C@@H]1C[C@H]1OC)c1cc(Br)ccc1O 2067900189 HGDWZRBKRHZPAZ-DUFXMDAXSA-N 314.223 3.230 10 10 DGCE CC(C)c1cnn(Cc2ccc(Br)cc2O)c1N 2070301350 FDIOMYWGKFVVRO-UHFFFAOYSA-N 310.195 3.105 10 10 DGCE CNCc1ccc(N(C)[C@@H]2[C@H]3C[C@H]3[C@H]3C[C@H]32)cc1Br 2110309974 QMQGDLVGMRWMKY-LRDNVRMFSA-N 321.262 3.259 10 10 DGCE COC(=O)C(C)(C)CSc1ncc(CNC(C)(C)C)s1 2155331841 DLGBJEXSFPEATK-UHFFFAOYSA-N 316.492 3.323 10 10 DGCE CN[C@H](C)c1ccc(N2CCOC[C@H]2C(F)F)c(Cl)c1 2175653312 HTTOWQOMHQQSMM-RNCFNFMXSA-N 304.768 3.091 10 10 DGCE CN[C@](CSc1nccs1)(C(=O)O)C1CCCCCC1 2208173511 IAISPUZQMQJHMZ-AWEZNQCLSA-N 314.476 3.248 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NC(=O)C(C(F)(F)F)C(F)(F)F 2234165650 FPCPLPQGRHTFDD-CRCLSJGQSA-N 304.194 3.075 10 10 DGCE Nc1ccc(CCC(=O)O[C@@H]2CCN(Cc3ccccc3)C2)cc1 2250351352 BYWRMCJHRSXGKB-LJQANCHMSA-N 324.424 3.019 10 10 DGCE CSc1ncc(CNc2cc(P(C)(C)=O)ccn2)s1 2269091363 WTFJEFMQSKSFFD-UHFFFAOYSA-N 313.388 3.120 10 10 DGCE CC(C)(C)[C@@H]1OCCC[C@@]1(Sc1nccs1)C(=O)O 2351987941 ALTSGVGNPSSFLY-ZANVPECISA-N 301.433 3.284 10 10 DGCE Cc1n[nH]c(C)c1Nc1nc(-c2ccc(O)c(O)c2)cs1 6721520 KEMKUVXKUOWDDE-UHFFFAOYSA-N 302.359 3.305 10 10 DGCE Nc1ccc(CNC(=O)c2cc(Br)ccc2F)cc1 37666293 GFRAYOACCRVAHX-UHFFFAOYSA-N 323.165 3.100 10 10 DGCE CC(C)NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 53010790 AWNKCKDHJFDAEK-GFCCVEGCSA-N 302.340 3.410 10 10 DGCE COc1ccc(N2CCN(C(=O)Nc3cccs3)CC2)cc1 74754182 GETZIBNUGZYIBG-UHFFFAOYSA-N 317.414 3.111 10 10 DGCE O=C(O)c1ccc(NCc2cc(Br)ccc2O)cc1 76275362 VBDISWNLAONROU-UHFFFAOYSA-N 322.158 3.465 10 10 DGCE CN(c1ccccc1)[C@@H]1CN(C)[C@@H](CN)c2cccc(Cl)c21 82805193 KSGRKYPHTUCUGB-DLBZAZTESA-N 315.848 3.463 10 10 DGCE Cc1cncc(/C=C/C(=O)NCc2c(O)ccc3c2CCCC3)c1 153184111 CFVQPYFKEIMZPY-RMKNXTFCSA-N 322.408 3.304 10 10 DGCE CC[C@@H](CNC(=O)OC(C)(C)C)NCc1ccc2c(c1)CCO2 227723108 GUHSAECBKYCINO-HNNXBMFYSA-N 320.433 3.014 10 10 DGCE C[C@@H](c1ccccc1O)N(C)C(=O)C(C)(C)Br 228356890 VDCUKYSVZQPZTQ-VIFPVBQESA-N 300.196 3.085 10 10 DGCE CC(C)N(CCO)Cc1ccc(OCc2ccccc2)cc1O 273341007 ANQNAXCHTVCLCK-UHFFFAOYSA-N 315.413 3.174 10 10 DGCE C[C@@H](N)c1ccc(N(C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 309872422 RRCUJGKWXMJNOY-OXQOHEQNSA-N 309.457 3.417 10 10 DGCE Oc1cccc(Cl)c1CNC[C@@H](n1cccn1)C(F)(F)F 527744247 PQAKEEGKHMUMJY-GFCCVEGCSA-N 319.714 3.135 10 10 DGCE CCN(c1ccc([C@@H](C)N)cc1Br)C(C)(C)CO 688312108 SIZWEKPPOUPABC-SNVBAGLBSA-N 315.255 3.066 10 10 DGCE CNc1ccc(Nc2cc(Br)ccc2C(N)=O)cc1 702877976 PFWSIFPUDFNLEK-UHFFFAOYSA-N 320.190 3.333 10 10 DGCE CSC[C@@H](C)CNCc1c(O)cccc1Br 706880877 IPGHLKZIMRNBBB-VIFPVBQESA-N 304.253 3.243 10 10 DGCE C[C@H]1CN(Cc2ccccc2)C[C@@H]1CNCc1ccccc1O 708551278 KFHBBYFMQFTGRR-LPHOPBHVSA-N 310.441 3.250 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNCCc1ccns1 709791032 PQDKZUMVLIZCPG-UHFFFAOYSA-N 303.214 3.488 10 10 DGCE Oc1c(F)cc(Br)cc1CNCC[C@H]1CC1(F)F 715735892 DPMHSEDGXVTNJG-QMMMGPOBSA-N 324.140 3.429 10 10 DGCE COC(=O)CN1CCCc2cc(OCc3ccccc3)ccc21 734638869 KFHMLLLNHFOHOF-UHFFFAOYSA-N 311.381 3.191 10 10 DGCE CN1CCCc2cc(CNC(=O)c3sccc3F)ccc21 815151722 SHIAEAOAABJXIE-UHFFFAOYSA-N 304.390 3.200 10 10 DGCE COc1ccc(N2CCC(NC(=O)C(F)=C3CCC3)CC2)cc1 819218843 LZBKLIJWJYHIOI-UHFFFAOYSA-N 318.392 3.188 10 10 DGCE CN(C)c1ccc(/C=C/CN2CC(CO)(c3ccccc3)C2)cc1 840970183 PEBWFKGSXMUMQN-VOTSOKGWSA-N 322.452 3.012 10 10 DGCE CC[C@H](NC[C@@H](n1cccn1)C(F)(F)F)c1ccccc1O 858448590 DHKOVOAPOFVJKR-GXTWGEPZSA-N 313.323 3.433 10 10 DGCE C[C@H]1CCN(Cc2c(O)cccc2Br)C[C@H]1F 862302134 XFJZYEUWWDZTCH-JOYOIKCWSA-N 302.187 3.335 10 10 DGCE C[C@@H](NC(=O)N[C@@H](C1CCC1)[C@H]1CCCO1)c1ccccc1O 868988702 AZIIZEGSKZSRHV-JLZZUVOBSA-N 318.417 3.100 10 10 DGCE COc1cc(C)cc(CNC[C@H]2CCO[C@@H](C(C)C)C2)c1O 894898707 IJLLWLBLAZDWNE-GOEBONIOSA-N 307.434 3.250 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(F)ncc1C 895527109 URPAXXNJXJKNLI-UHFFFAOYSA-N 315.392 3.257 10 10 DGCE CC[C@H](NCc1cc(Cl)cc(OC)c1O)[C@H]1CCCOC1 895665027 WZMFCAIATWSUJE-FZMZJTMJSA-N 313.825 3.349 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)[C@@H](C)[C@@H]1CCCO1 908044362 AWKFVQRVBHVIDV-YOEHRIQHSA-N 305.418 3.336 10 10 DGCE c1nc(C2CC2)ncc1CCNCc1ccc2c(c1)CCCO2 921934227 QJZFNPOSRYQLCQ-UHFFFAOYSA-N 309.413 3.011 10 10 DGCE CN(C(=O)c1ccnc2c1CC(=O)N2)c1cccc2ccccc12 1292103464 ANQSYJZVVOYIFU-UHFFFAOYSA-N 317.348 3.006 10 10 DGCE CCC[C@@H](C)c1cc(NC(=O)c2ccc(C)c(O)c2O)n[nH]1 1299914854 FRQYRQFRUYFOIV-SECBINFHSA-N 303.362 3.285 10 10 DGCE COCc1cc(N2Cc3cccc(O)c3C2)nc(C(C)(C)C)n1 1329361783 AIDAECIRYFZIQN-UHFFFAOYSA-N 313.401 3.146 10 10 DGCE CC(F)(F)c1ccc(C(=O)NCc2cc(O)ccc2O)cc1 1455355170 AMFANRNIYULLSH-UHFFFAOYSA-N 307.296 3.140 10 10 DGCE CCc1csc(NC[C@H](c2ccc(N(C)C)cc2)N(C)C)n1 1458681117 LAHQOQQVPSOMBN-MRXNPFEDSA-N 318.490 3.486 10 10 DGCE CCCCCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 1537477920 OLNNVMBIMACELQ-GOSISDBHSA-N 319.493 3.442 10 10 DGCE CCCN(Cc1ccc(F)cc1)C(=O)c1cccc(O)c1O 1543547747 TVYQJRVRWAZUJW-UHFFFAOYSA-N 303.333 3.289 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)C1(Nc2ccccc2)CC1 1628679908 DBQPSEFNLKFCEX-UHFFFAOYSA-N 316.788 3.307 10 10 DGCE CCOc1ccc(N2CCN(CCOCCC(C)C)CC2)cc1 1642353479 AEKMKNRMEHOCGE-UHFFFAOYSA-N 320.477 3.270 10 10 DGCE CC(C)(C)OC(=O)Nc1ncccc1[C@H](N)c1ccccc1O 1923216108 GBWXNAWZNSNFJO-CQSZACIVSA-N 315.373 3.182 10 10 DGCE CN[C@H](c1ccccc1O)C1(NC(=O)OC(C)(C)C)CC=CC1 1923423113 IJQDYYVJARRUKE-OAHLLOKOSA-N 318.417 3.266 10 10 DGCE CC(C)(C)OC(=O)NC1CCC(N)(c2ccccc2O)CC1 1933867886 WZUYLCZVFPVFLB-UHFFFAOYSA-N 306.406 3.014 10 10 DGCE CN[C@@H](CCN(C(=O)OC(C)(C)C)C1CC1)c1ccccc1O 1936970237 JYASPQVGMFLAAX-HNNXBMFYSA-N 320.433 3.442 10 10 DGCE C[C@H](CC1CN(C(=O)OC(C)(C)C)C1)Nc1ccc(N)cc1 1959350606 FVKAFUNKBIUYDJ-GFCCVEGCSA-N 305.422 3.326 10 10 DGCE COc1ccc(Br)c(CNC[C@H]2CC23CC3)c1O 1964061369 ATJNAPJWTOXQJI-SECBINFHSA-N 312.207 3.053 10 10 DGCE Oc1cccc(Br)c1CN[C@@H]1CC[C@H]2[C@H]1C2(F)F 1966007369 DOXBWVJAGIEIHT-MKPLZMMCSA-N 318.161 3.288 10 10 DGCE CN1CCc2cc([C@@]3(N)CC[C@H]3OCc3ccccc3)ccc21 1977938068 GBUYAKDWWRUNLL-UXHICEINSA-N 308.425 3.212 10 10 DGCE CN(C)c1ccc([C@H](O)C2(CNC(=O)OC(C)(C)C)CC2)cc1 1977938791 LIGPNGSEXROLTI-HNNXBMFYSA-N 320.433 3.091 10 10 DGCE CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H](N)c1ccc(N(C)C)cc1 1977946105 SRFZHPGJSCBZKY-CJNGLKHVSA-N 321.465 3.398 10 10 DGCE C[C@H](NC[C@H]1C[C@@H]1NC(=O)OC(C)(C)C)c1ccc(F)cc1O 1978007317 BDCLGGHZWNWBRD-WDMOLILDSA-N 324.396 3.095 10 10 DGCE OCc1ccc(N2CCC(=CBr)C2)c(Cl)c1 1981329080 UXZQIYFKWHSVLP-UHFFFAOYSA-N 302.599 3.321 10 10 DGCE CC[C@H](CN(C)c1ccc(OC)cc1N)NC(=O)OC(C)(C)C 1981725537 QPGZGPXAAIFATI-GFCCVEGCSA-N 323.437 3.017 10 10 DGCE O[C@@H]1CCc2cc(N(Cc3ccccc3)[C@@H]3CCOC3)ccc21 1986602212 CJKGOOZULCEMNA-UYAOXDASSA-N 309.409 3.462 10 10 DGCE C[C@H]1C[C@@H](F)CN1c1ccc([C@@H](C)N)c(Br)c1 1997690904 GATARPSHFJSYBE-IVZWLZJFSA-N 301.203 3.406 10 10 DGCE C[C@]1(F)CCCN(c2ccc(CN)c(Br)c2F)C1 2034773402 FWNNJVVFBKCXES-ZDUSSCGKSA-N 319.193 3.375 10 10 DGCE CO[C@H]1C[C@@H](N(C)c2ccc([C@@H](C)O)c(Br)c2)C1 2038806750 JZTXAAGUWAUAMX-JLLWLGSASA-N 314.223 3.116 10 10 DGCE CC[C@@](C)(CN(C)c1ccc(CN)cc1Br)OC 2066250953 XOKFWRWYXHFWBK-AWEZNQCLSA-N 315.255 3.159 10 10 DGCE COC(=O)c1cc(C2CCC2)nn1Cc1ccc(Cl)cc1O 2069982247 PUQSLDLHWYNSAQ-UHFFFAOYSA-N 320.776 3.345 10 10 DGCE Oc1c(F)cccc1Cn1nc(C2CC2)cc1Br 2070025267 JOQYWVBXGUEFJC-UHFFFAOYSA-N 311.154 3.416 10 10 DGCE CNCc1cc(C2CCC2)nn1[C@H](C)c1cc(OC)ccc1O 2070026768 LQFIUDQGXUGCJA-GFCCVEGCSA-N 315.417 3.194 10 10 DGCE COc1ccc(O)c([C@@H](C)n2nc(C3CCCC3)cc2N)c1 2070199640 GEWJBPVUFVIHPX-LLVKDONJSA-N 301.390 3.446 10 10 DGCE CC[C@@H](c1cc(C)c(C)cc1O)n1nc(C2CC2)c(C=O)c1N 2079980203 APJHLXKICGUMOS-HNNXBMFYSA-N 313.401 3.477 10 10 DGCE O=S(=O)(Nc1ccc(O)c(Cl)c1)[C@H]1CCCC[C@@H]1F 2118895178 WYWWLGYKGNNCGZ-JQWIXIFHSA-N 307.774 3.068 10 10 DGCE Cn1cnc2sc(CNCc3cccc(Cl)c3O)cc21 2175266007 AYTATSSPJZCRHL-UHFFFAOYSA-N 307.806 3.284 10 10 DGCE CC[C@@H]1C[C@@H]1NCc1c(Br)ccc(OC)c1O 2214870176 ZAIVLHFXINKWLT-KCJUWKMLSA-N 300.196 3.051 10 10 DGCE COc1ccc(Br)c(CNC2(C(C)C)CC2)c1O 2220462655 OVWJIHHONUWJRQ-UHFFFAOYSA-N 314.223 3.442 10 10 DGCE Nc1cccc(Br)c1N[C@H](C(F)F)[C@@H]1CCOC1 2223203106 BJZCHIDOMHBIPK-XCBNKYQSSA-N 321.165 3.113 10 10 DGCE Cc1ccc(N2NC(=O)C(=Cc3cccs3)C2=O)cc1Cl 2297296532 XZJVDGGIIOUKPF-UHFFFAOYSA-N 318.785 3.171 10 10 DGCE Cc1ccc(CN(C)C(=O)C=Cc2ccc(O)c(O)c2)s1 2308000795 SPYOBVHHVWAQCY-UHFFFAOYSA-N 303.383 3.140 10 10 DGCE CCN(C=C1SC(=S)N(c2ccccc2OC)C1=O)CC 2313609001 COXAARWPGQCFAT-UHFFFAOYSA-N 322.455 3.243 10 10 DGCE Cn1cccc1C=C1C(=O)N(c2ccccc2)N=C1C(F)(F)F 2332128763 AEZSBJVGAZPWNZ-UHFFFAOYSA-N 319.286 3.374 10 10 DGCE COC(=O)/C=C/c1ccc(N2CCCC[C@H](C)C2)c([N+](=O)[O-])c1 302343766 CEXKHQAVAIKHMP-XOVSCCBYSA-N 318.373 3.407 10 10 DGCE Nc1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1 20473814 SCTSDCQZLOSEBQ-UHFFFAOYSA-N 316.304 3.088 10 10 DGCE Cc1cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)c(C)n1-c1ccccc1 68851463 HJIXJTSSQQVOAB-HUUCEWRRSA-N 312.413 3.344 10 10 DGCE CCCCN(C)c1ccc(CNCCOC)cc1OC(C)C 212154236 UNTZMEGHRAFMRZ-UHFFFAOYSA-N 308.466 3.446 10 10 DGCE COc1ccc(O)c(CNC(=O)/C=C/c2cc(C)cc(C)c2)c1 181669909 TVTWKLCRTPZIRT-QPJJXVBHSA-N 311.381 3.347 10 10 DGCE CC[C@@H](Oc1ccc(N)cc1)C(=O)c1ccc(OC)c(OC)c1 40353978 KVOANWHDIAWENE-OAHLLOKOSA-N 315.369 3.326 10 10 DGCE CN[C@@H](c1ccc(N(C)C)cc1)c1occc1Br 97193439 FCBUUNACVVCBBJ-ZDUSSCGKSA-N 309.207 3.417 10 10 DGCE C[C@@H](NCc1ccnc(OC(F)F)c1)c1ccc(F)cc1O 284370280 NQGGKQLIFDYTRM-SECBINFHSA-N 312.291 3.379 10 10 DGCE CC[C@H](N[C@H]1CCC(=O)NC12CCC2)c1cccc(Cl)c1O 286866564 BLZWRRRPOOJURA-KBPBESRZSA-N 322.836 3.288 10 10 DGCE CC[C@@H](NC1CCC(NC(C)=O)CC1)c1ccc(C)cc1O 280026643 HTKSMLARWODEMM-VMBOVVBDSA-N 304.434 3.189 10 10 DGCE Oc1cccc2c1[C@@H](N[C@@H]1CCOC3(CCSCC3)C1)CC2 296650246 DILUCNBKWIHUSA-CABCVRRESA-N 319.470 3.414 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N1CC[C@H](C)C1 800012968 UALJRNRMXKAGRZ-HNNXBMFYSA-N 303.450 3.425 10 10 DGCE CCOC(=O)CN(Cc1ccccc1O)C(=O)CCCC(C)C 819698209 IYGQNTWWVGIYGQ-UHFFFAOYSA-N 321.417 3.110 10 10 DGCE CC(=O)c1cc(F)cc(CN2CCOC[C@@H]2CC2CCC2)c1O 815293640 KIKDCPXHJUIYHL-INIZCTEOSA-N 321.392 3.125 10 10 DGCE CCc1cc(CCCSc2ncc(C(=O)OC)s2)on1 829677810 MOEWANTVRFSXCX-UHFFFAOYSA-N 312.416 3.205 10 10 DGCE O=C(NCc1ccccc1O)N[C@H]1CCCc2c(F)cccc21 838062303 SDRPRKMWSYBXHA-INIZCTEOSA-N 314.360 3.408 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCC[C@@H]2[C@@H]2CCCO2)cc1 835049550 KAEYMBVNYXFOJN-FSUAIEIUSA-N 300.446 3.409 10 10 DGCE C[C@@H]1[C@@H](N2CCCC2)CCN1C/C=C\c1ccc(N(C)C)cc1 835052939 ITESIKJMGSVEFQ-HTWXZYLJSA-N 313.489 3.324 10 10 DGCE CN(C)c1ccc(/C=C\CNC[C@H]2NCCc3ccccc32)cc1 841067727 PHEVXLQWQUPJGF-QEVIJRNUSA-N 321.468 3.242 10 10 DGCE C[C@H](CNCc1cc(Br)ccc1O)c1ccncc1 749293313 CNEGWGKYUNTKQM-LLVKDONJSA-N 321.218 3.443 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCC[C@@H]1C1CC1 843851880 SVIYKVGPTXQDKY-DAXOMENPSA-N 317.429 3.361 10 10 DGCE Cc1cnc(F)c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 867504233 UDAUOSVWSOOQDE-GFCCVEGCSA-N 301.365 3.086 10 10 DGCE CN(C)c1ccc(CNC(=O)C2([C@@H]3CCCCO3)CCC2)cc1 864573143 HAPBJRKXVFNVJE-KRWDZBQOSA-N 316.445 3.108 10 10 DGCE CC[C@@H](N[C@@H]1CCN[C@H]1C)c1cc(Cl)cc(Cl)c1O 863547242 QKOORMGYOQGICM-ZEGGKSINSA-N 303.233 3.490 10 10 DGCE Cc1cc(N[C@@H](C)c2cc(F)ccc2O)cc(OCCO)c1 774509328 OIDVIHBCRJXJFS-LBPRGKRZSA-N 305.349 3.384 10 10 DGCE CCN(C)c1ccc(CN2CC[C@H](C(C)(C)C)[C@H](O)C2)cc1 773832308 OSPWOZNYJMAJKO-ZWKOTPCHSA-N 304.478 3.372 10 10 DGCE C[C@H](OCC1CC1)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1124549572 NBSFVDHIBYOVCJ-HNNXBMFYSA-N 316.445 3.060 10 10 DGCE COc1cccc(O)c1CN[C@@H](C)COCc1ccccc1 1958764965 PUWXEGQSFPCKKK-AWEZNQCLSA-N 301.386 3.096 10 10 DGCE NC[C@]12CC[C@H]1CN(c1ccc(OCc3ccccc3)cc1)C2 1899853892 YGLSXUFHXZCZPL-PXNSSMCTSA-N 308.425 3.441 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(Nc2ccc(N)cc2)C1 1959362767 HFZQMEXMFBGQDH-SJCJKPOMSA-N 303.406 3.080 10 10 DGCE CCN(C)c1ccc(CN[C@]2(C(=O)OC)CC[C@@H](C)CC2)cc1 1307917030 NCONIERICDACFE-RHDGDCLCSA-N 318.461 3.354 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H]2CN(CCN=[N+]=[N-])CC[C@@H]21 1962287609 KXOFNFDNXLUFHU-STQMWFEESA-N 309.414 3.018 10 10 DGCE COc1ccc(CNC[C@H](C)CNC(=O)CC2CCC2)cc1C 1319174575 SNIQYEQNLITORJ-AWEZNQCLSA-N 318.461 3.036 10 10 DGCE Cc1cc(C=CC(=O)O)ccc1N(C)CC1(Br)CC1 1887924202 OLDSZVDUMXJSAM-UHFFFAOYSA-N 324.218 3.457 10 10 DGCE COc1cc(Cl)cc(CN[C@H]2CC[C@@H](C)SC2)c1O 689560648 CQKFVMXMUCTYOD-SKDRFNHKSA-N 301.839 3.428 10 10 DGCE O=C1CN(Cc2ccc(N3CCCC3)cc2)Cc2ccccc2N1 1327668256 KLGFQQDENBKNKV-UHFFFAOYSA-N 321.424 3.241 10 10 DGCE C[C@@H](N)c1ccc(N2CCO[C@@](C)(C(F)F)C2)c(Cl)c1 698821769 LGEAEOOIHRTQPJ-YMTOWFKASA-N 304.768 3.220 10 10 DGCE C[C@@H](NC(=O)C[C@H]1Cc2ccccc2O1)c1ccc(N(C)C)cc1 1435954432 XNEMHYQWDOHKBS-RDTXWAMCSA-N 324.424 3.324 10 10 DGCE O=C(CSc1ncc(Cl)s1)c1ccc(O)c(O)c1 1459202530 WETDTGYRSDTTSK-UHFFFAOYSA-N 301.776 3.183 10 10 DGCE CCOC(=O)C1(NCc2ccc(OC)c(C)c2)CCCCC1 1473238563 CAQPYZUPHBBERT-UHFFFAOYSA-N 305.418 3.359 10 10 DGCE CN(CCc1cccs1)C(=O)c1ccc(N=NC(N)=O)cc1 1566156837 KNMDLVNWJLEGQC-UHFFFAOYSA-N 316.386 3.225 10 10 DGCE CC[C@@H](C)CC(=O)N(C)C[C@H](C)NCc1ccc(OC)c(C)c1 1571384784 VXCMDNSMJCFWBH-ZBFHGGJFSA-N 320.477 3.376 10 10 DGCE CC[C@@H]1CCC[C@H](C)N1CC(=O)NCc1ccc(N(C)C)cc1 1655144358 PPNBMDHFENRKIB-DOTOQJQBSA-N 317.477 3.022 10 10 DGCE CCC1(CC)[C@H](NC(=O)NCc2cc(C)ccc2O)C[C@H]1OC 1680882768 SIAGCMHQFXEBSP-HZPDHXFCSA-N 320.433 3.094 10 10 DGCE COCCN(C)c1ccc(CNC(C)C)cc1C(F)(F)F 163689324 GJOKLXGBNWHFBJ-UHFFFAOYSA-N 304.356 3.286 10 10 DGCE Cc1nn(C)c(Br)c1Cn1ccc2cc(N)ccc21 2129306932 CDQLIIJBQDQAOZ-UHFFFAOYSA-N 319.206 3.076 10 10 DGCE Cc1ccc(O)c(CNCCC(=O)Nc2ccc(Cl)cc2)c1 1857853899 JHVQTNOLFJYWQF-UHFFFAOYSA-N 318.804 3.472 10 10 DGCE CC1(C)CN(Cc2cc(Cl)cc(Cl)c2O)C[C@@H]1CN 1913115794 WIDRAXSKDDUFLO-JTQLQIEISA-N 303.233 3.116 10 10 DGCE CCNCc1ccc(N(Cc2ccccc2)[C@@H](C)CO)c(F)c1 1914367057 WMJAIJLWIADJBD-HNNXBMFYSA-N 316.420 3.323 10 10 DGCE Cc1cccc(O)c1CN[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 1904219895 UAUMROWRNYOPGI-GOSISDBHSA-N 320.433 3.190 10 10 DGCE NCc1ccc(N2CC[C@@H](CC(F)F)C2)c(Br)c1 1916713840 JBGQCIMGTVZSRU-JTQLQIEISA-N 319.193 3.389 10 10 DGCE Cc1cc(Cl)nc(Cl)c1NC(=O)Cc1ccc(N)cc1 235805519 LRISQIZKOVGAFE-UHFFFAOYSA-N 310.184 3.460 10 10 DGCE COc1cc(Cl)cc(CN[C@H](C)CCCCCO)c1O 1969742517 HDNUAOGJRDODPN-LLVKDONJSA-N 301.814 3.085 10 10 DGCE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1c1cc(N)ccc1O 1953053744 PWJXCRMCOWRMFV-LLVKDONJSA-N 314.332 3.292 10 10 DGCE C[C@H](NCc1cc(Br)cc(F)c1O)[C@H]1CC1(F)F 1972721619 YUYLFWOHLXSKTE-IMTBSYHQSA-N 324.140 3.427 10 10 DGCE CN(CCN=[N+]=[N-])C(=O)c1cccc(NC(=O)OC(C)(C)C)c1 1985103953 CMSFLYWEEQDARL-UHFFFAOYSA-N 319.365 3.416 10 10 DGCE C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@@]1(N)c1ccccc1O 1988844371 VVJNVYZWQPJHOS-UGSOOPFHSA-N 320.433 3.213 10 10 DGCE CN(CC1(Br)CC1)c1ccc(CN)c(Cl)c1 1991490645 WVUCGJDHJXBGIA-UHFFFAOYSA-N 303.631 3.162 10 10 DGCE Cc1cc(N2C[C@@H]3[C@H](CCN3Cc3ccccc3)C2)ccc1CO 2015064916 DRARPSJGSICYJX-WIYYLYMNSA-N 322.452 3.198 10 10 DGCE O=C(Nc1ccc(CNCc2ccccc2O)cc1)C(F)(F)F 390195700 IFHOYDGYLVMFSW-UHFFFAOYSA-N 324.302 3.183 10 10 DGCE Nc1ccc(C[C@H](O)Cc2ccc(Br)c(F)c2)cc1 721929251 LPZQKVQNQIVHLJ-ZDUSSCGKSA-N 324.193 3.317 10 10 DGCE O=S(=O)(Cc1ccccc1F)Nc1ccc(O)cc1Cl 396467730 MIZHAITYMFMVNN-UHFFFAOYSA-N 315.753 3.127 10 10 DGCE COc1cccc(Cn2nc(-c3ccccc3)cc2C(=O)O)c1O 2069902269 KJMDMRQRCWGFKG-UHFFFAOYSA-N 324.336 3.011 10 10 DGCE COc1ccc(Cn2nc(C3CCCCC3)cc2CO)c(O)c1 2070154214 YDCBVBBEIVLNTR-UHFFFAOYSA-N 316.401 3.186 10 10 DGCE COc1cnn([C@@H](C)c2cccc(C)c2O)c1Br 2070289666 RPXVRLXBJRCTQT-VIFPVBQESA-N 311.179 3.278 10 10 DGCE CC(C)N[C@]1(C(=O)O)C[C@H](Sc2nccs2)CC[C@H]1C 2175748336 YUIXOFFQVRSOPB-JTNHKYCSSA-N 314.476 3.245 10 10 DGCE COc1cccc(Cn2nc(C3CCC3)c(C3CC3)c2N)c1O 2079763860 UTYWFFXNIMNZOB-UHFFFAOYSA-N 313.401 3.373 10 10 DGCE Cc1ccc(Br)c(CN2CCC[C@@H](N=[N+]=[N-])C2)n1 2049902086 UFBATNKTQJLEEO-SNVBAGLBSA-N 310.199 3.427 10 10 DGCE CCC[C@H]1COCCN1Cc1cc(Br)ccc1O 2050897856 OOLRUUQUDQNVBO-ZDUSSCGKSA-N 314.223 3.156 10 10 DGCE COCCNCc1ccc(OC/C=C/Br)c(C)c1 2051149894 HOWPHCDVADJMBQ-ZZXKWVIFSA-N 314.223 3.018 10 10 DGCE Nc1cccc(Br)c1NC1CCC2(CC1)C[C@H]2N 2071618346 RNNMHUQDQIFCBS-VTGPFMDVSA-N 310.239 3.103 10 10 DGCE C[C@@H](N)c1cc(F)c(N2CC=C(Br)CC2)c(F)c1 2074214265 LZNXIHVJXBHCJF-MRVPVSSYSA-N 317.177 3.473 10 10 DGCE C[C@@H](C(=O)O)N(Cc1cc(Cl)cc(Cl)c1O)C1CC1 2087126048 ZMRJBFBJDQKFFA-ZETCQYMHSA-N 304.173 3.137 10 10 DGCE CN[C@H](c1ccccc1O)c1ccc(OC)cc1Br 2107900074 QVFLIHOOIYGOJW-HNNXBMFYSA-N 322.202 3.472 10 10 DGCE COc1cc(Cl)cc(CN[C@@H]2CC[C@H]2C(F)(F)F)c1O 2232598232 XPXZZTVFNGKRBR-NXEZZACHSA-N 309.715 3.485 10 10 DGCE COc1cccc(C=C2SC(c3ccccc3)=NC2=O)c1O 2295494232 CVOOZMVRMIQHQN-UHFFFAOYSA-N 311.362 3.462 10 10 DGCE O=C1C(=Cc2ccco2)SC(=S)N1c1cccc(O)c1 2296879831 FIAJZDDIBJHGBF-UHFFFAOYSA-N 303.364 3.391 10 10 DGCE COc1cccc2c1N(C(=O)C=Cc1cnc(C)s1)CCC2 2297540990 LSOANCWEINLMIF-UHFFFAOYSA-N 314.410 3.453 10 10 DGCE CN1C(=O)C(=Cc2ccc(OCC3CC3)cc2)SC1=S 2311519234 IMFZXLFLAOJLAQ-UHFFFAOYSA-N 305.424 3.306 10 10 DGCE CS[C@H]1CC[C@@H]1N(C)c1ccc(CN)cc1Br 2307726717 IDUGNHBSDIQXBJ-STQMWFEESA-N 315.280 3.238 10 10 DGCE CC[C@](C)(CN)N(C)Cc1ccc(C)c(Br)c1O 2327554822 WVVMRBOUXHGPJF-CQSZACIVSA-N 315.255 3.022 10 10 DGCE Cc1ccc(CN[C@@H]2C[C@H](C)O[C@H]2C)c(O)c1Br 2327612314 LCKSBOBESYAIHK-JBLDHEPKSA-N 314.223 3.119 10 10 DGCE COC[C@H](C)CN(C)Cc1ccc(C)c(Br)c1O 2327796310 FISIMGCXMOSRCJ-SNVBAGLBSA-N 316.239 3.177 10 10 DGCE CC(C)N[C@](CO)(CSc1nccs1)[C@@H]1CC1(C)C 2340947413 XJVHFHLRVFUPBL-BXUZGUMPSA-N 300.493 3.010 10 10 DGCE Oc1ccc(Cl)cc1CNc1ccccc1-n1ccnn1 36933689 XAMXSSGYLCNBMI-UHFFFAOYSA-N 300.749 3.238 10 10 DGCE CN(CC(=O)c1ccc(O)c(O)c1)Cc1cccc(Cl)c1 48014676 CGLGHIMCJVAJGB-UHFFFAOYSA-N 305.761 3.066 10 10 DGCE COc1cc2c(cc1OC)N(CC(C)(C)N)C[C@@](C)(C(C)C)N2 75280770 APQQATXFVLLDOW-SFHVURJKSA-N 321.465 3.088 10 10 DGCE CSc1ccccc1OCCC(=O)Nc1ccc(N)cc1 110980571 MXENBMUFTWPORI-UHFFFAOYSA-N 302.399 3.398 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)/C=C/c2ccc(F)cc2)c1 157859833 ODWTWCFUVBSXRV-DJTWPOEFSA-N 315.344 3.431 10 10 DGCE CCc1ccc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)c(C)n1 184055708 ZJAQDZOFJFCUHF-LBPRGKRZSA-N 314.385 3.158 10 10 DGCE COc1ccccc1[C@H](O)CN[C@H](C)c1cc(Cl)ccc1O 185096558 BQROGVWEIKDTRE-BDJLRTHQSA-N 321.804 3.438 10 10 DGCE Cc1cccc(O)c1NC1=NC(=O)/C(=C\c2ccncc2)S1 208333151 PMNZHXQIDBOWNN-UKTHLTGXSA-N 311.366 3.178 10 10 DGCE CC(C)[C@H](CNC(=O)OC(C)(C)C)NCc1ccccc1O 227772658 GURIRIDRCMPSKT-AWEZNQCLSA-N 308.422 3.031 10 10 DGCE CC[C@H](NC[C@H]1CCC2(CCOCC2)[C@@H]1O)c1ccccc1O 283374796 OHCUTICLQFDTSP-UWWQBHOKSA-N 319.445 3.001 10 10 DGCE CCN(c1ccc([C@@H](C)N)cc1Br)[C@H]1CCOC1 310909018 QIRBSEAZBIJCGC-PWSUYJOCSA-N 313.239 3.084 10 10 DGCE C[C@H]1CSCCN(c2ccc(CN)c(C(F)(F)F)c2)C1 379509590 COVLWKZASNGNQW-SNVBAGLBSA-N 304.381 3.353 10 10 DGCE CNCc1ccc(N2CCC(CF)CC2)cc1Br 689434575 DQELLCKOCMKFPD-UHFFFAOYSA-N 315.230 3.354 10 10 DGCE Cc1ccncc1CNCc1ccc(Br)cc1O 691444444 MMOVZHGPEKIJQZ-UHFFFAOYSA-N 307.191 3.148 10 10 DGCE CN[C@@H]1CCCN(c2ccc(OC(F)(F)F)cc2Cl)C1 699650049 KHUMTQRIEZWDNF-SECBINFHSA-N 308.731 3.427 10 10 DGCE C[C@@H]1CN(Cc2cccc(Cl)c2O)C[C@](C)(C(F)F)O1 705038017 MPQASBHZPVAADL-YMTOWFKASA-N 305.752 3.290 10 10 DGCE COc1ccccc1CNCc1c(O)cccc1Br 706829180 PCNSTJLZXSCGKN-UHFFFAOYSA-N 322.202 3.453 10 10 DGCE CN(c1ccc(CN)c(Br)c1)C1(C(F)(F)F)CC1 720293957 QFXGIKCVZMIVKU-UHFFFAOYSA-N 323.156 3.439 10 10 DGCE CC[C@@H](NC[C@@H]1CCN1C(=O)OC(C)(C)C)c1ccccc1O 724913497 LLXRXKHJTQIFHG-DZGCQCFKSA-N 320.433 3.442 10 10 DGCE CC[C@H]1CCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C1 756135125 VZVYLGJLGADULP-HWPRWLFBSA-N 304.346 3.017 10 10 DGCE C[C@H](NCc1ccc(Cl)cn1)c1cc([N+](=O)[O-])ccc1O 756788165 BLTPEFAJEMXBTN-VIFPVBQESA-N 307.737 3.200 10 10 DGCE Cc1ccc([C@H](C)Nc2cccc([C@@H]3CNC(=O)C3)c2)c(O)c1 757619057 KDWPHTDXSDTKBX-ZFWWWQNUSA-N 310.397 3.477 10 10 DGCE Cc1ccc2c(c1)SCCCN2C(=O)/C=C/c1cnccn1 778273465 CWBRVZGCKXFEBH-GQCTYLIASA-N 311.410 3.327 10 10 DGCE c1ccc(CN2CCc3cc(CN4CCO[C@H]5C[C@H]54)ccc32)cc1 814172210 CQDPRYGLZZTRJE-RTWAWAEBSA-N 320.436 3.222 10 10 DGCE C[C@@H](N[C@H]1CCCCNC1)c1ccc(N2CCCCC2)cc1 817983507 FPJVKDWWVBFBLY-AEFFLSMTSA-N 301.478 3.470 10 10 DGCE C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@@H](C)C1O 827152052 PTTAZDSYLSVNCY-RKDXNWHRSA-N 304.217 3.148 10 10 DGCE CN(C)c1ccc(/C=C/CNCC2(CO)CCCCC2)cc1 835043333 OZAVSPWSSMQQTI-VOTSOKGWSA-N 302.462 3.298 10 10 DGCE C[C@H](CC(F)(F)F)C(=O)NCc1ccc(N(C)C)c(F)c1 837377589 LUSHYCQPSSKQBM-SECBINFHSA-N 306.303 3.096 10 10 DGCE CC(=O)N(C)c1ccc(NC/C=C\c2ccc(N(C)C)cc2)cn1 842223796 PJIUDRMJKWSIQR-WAYWQWQTSA-N 324.428 3.256 10 10 DGCE c1ccc2c(c1)O[C@H](CNCc1ccc3c(c1)CCO3)CS2 842726588 JYUZRTQWGZRLSQ-OAHLLOKOSA-N 313.422 3.264 10 10 DGCE C[C@@H]1CCN(Cc2ccccc2O)C[C@H]1C(=O)OC(C)(C)C 843414537 HXFCHFJBMMHOAT-UKRRQHHQSA-N 305.418 3.192 10 10 DGCE CCc1cccc(CN2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1O 848907406 CSWWCGBLTNZREC-VCBZYWHSSA-N 319.445 3.113 10 10 DGCE COc1cccc(CN[C@@H](c2ccccc2)[C@@H](O)C(C)C)c1O 850395780 YSLMYPRHNKKIAC-ROUUACIJSA-N 315.413 3.249 10 10 DGCE CC[C@H](N[C@@H]1C[C@H](C)n2ncnc21)c1cc(Cl)ccc1O 850498792 DFVCRPKJNSUZPL-TVYUQYBPSA-N 306.797 3.384 10 10 DGCE COC[C@@H](CN(Cc1ccccc1)c1ccc(OC)cc1)OC 851821450 SCIGMPWDRLSCSM-LJQANCHMSA-N 315.413 3.363 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCC(C)(C)C3)C2)cc1 855224554 FWNPMBWYAHNRRK-LSDHHAIUSA-N 316.445 3.216 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)CC3=CCCCC3)C2)cc1 855229644 BNGRJMFEWHWZTL-INIZCTEOSA-N 314.429 3.281 10 10 DGCE Cn1nc2c(c1CNCCCSc1nccs1)CCCC2 865469345 UODAIMDRGFWGOE-UHFFFAOYSA-N 322.503 3.027 10 10 DGCE CC/C=C(\F)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 866900148 UFYZFFHZITXQQI-IJENKCAZSA-N 307.365 3.163 10 10 DGCE CN(C)c1ccc(/C=C/CN2CC[C@H]([C@@H]3CCCO3)C2)cc1 895842611 ICZHRNQUDZEYTO-ONFZBDQASA-N 300.446 3.267 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2ccc(NC3=NCCC3)cc2)c1 913000306 GPWICHJSCUXHAV-UHFFFAOYSA-N 323.396 3.235 10 10 DGCE CN(C)c1ccc(CNCc2c(Cl)n[nH]c2C2CC2)cc1 921496046 MEKHJMZTHXHXRC-UHFFFAOYSA-N 304.825 3.296 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC1CSC1 923819932 CUMSHQYGMWMLKY-UHFFFAOYSA-N 321.490 3.036 10 10 DGCE CC(C)(CNC(=O)NCc1c(O)cccc1F)CC(F)F 923996394 DUKUADLZVQBWFC-UHFFFAOYSA-N 304.312 3.012 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)NC[C@@H](COC)C(C)C 927583857 DNLMOMRWTCURLL-INIZCTEOSA-N 322.449 3.232 10 10 DGCE CC1CCN(c2ccc(CNC(=O)CCCCCO)cc2)CC1 1136705578 SAAVNQDEZCCXJB-UHFFFAOYSA-N 318.461 3.092 10 10 DGCE CNc1ccc(C(=O)NCc2c(O)cccc2F)c(Cl)c1 1156171200 XWDQPXJABMKJAQ-UHFFFAOYSA-N 308.740 3.156 10 10 DGCE C[C@@H](NS(=O)(=O)c1cccc(Cl)c1)c1ccccc1O 1213415566 UXCLEIJMGVWSIH-SNVBAGLBSA-N 311.790 3.085 10 10 DGCE CC[C@@H](C)C(=O)N(C)C1CC(NCc2ccc(OC)c(C)c2)C1 1284745348 WXXFSKKIZVPCSY-NVPAJSRCSA-N 318.461 3.129 10 10 DGCE CC[C@@H](NC(=O)c1ccc(C)c(O)c1O)c1ccccc1F 1300131029 HGVYDTQSLAIGDS-CQSZACIVSA-N 303.333 3.426 10 10 DGCE COc1ccc(C[C@@H](C)N(C)Cc2cccc(OC)c2O)cc1 1320493882 FFYJMKOJTFKTCS-CQSZACIVSA-N 315.413 3.472 10 10 DGCE Cn1cnc(/C=C/C(=O)N2CCCCc3c(Cl)cccc32)c1 1435834880 MBHIARINJLHBHO-CMDGGOBGSA-N 315.804 3.456 10 10 DGCE Cn1ccc2c([C@H]3CNCCN3C(=O)OC(C)(C)C)cccc21 1535976238 JAFJUHWAWYZCPL-MRXNPFEDSA-N 315.417 3.060 10 10 DGCE CC[C@@H](NCc1cc(Cl)cc(C(C)=O)c1O)c1noc(C)n1 1559736977 SKCWPCUAFDLJBT-CYBMUJFWSA-N 323.780 3.181 10 10 DGCE CN(Cc1ccccc1O)C(=O)[C@H]1CCN(C)[C@H]1c1ccccc1 1641156755 VAQUPLSVBWSVRK-HKUYNNGSSA-N 324.424 3.044 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccccc2N)[C@@H]2CC[C@@H]21 1895595250 YRGJULCLGXZLQL-NOLJZWGESA-N 317.433 3.469 10 10 DGCE Cc1ccc([C@@H](C)NCC=CCNC(=O)OC(C)(C)C)c(O)c1 1911670197 OSBXRNNWVHCJNZ-CQSZACIVSA-N 320.433 3.432 10 10 DGCE [N-]=[N+]=N[C@@H]1CCN(C(=O)c2csc(Br)c2)C1 1912159729 LVXDFNGNWXVYNC-SSDOTTSWSA-N 301.169 3.035 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(CCc2ccc(Br)cn2)C1 1912204053 IITGTFSGDQVZAP-LBPRGKRZSA-N 310.199 3.161 10 10 DGCE [N-]=[N+]=NC1CCN(C(=O)Cc2cccc(Br)c2)CC1 1912206803 IJUIECJXXBRXFK-UHFFFAOYSA-N 323.194 3.293 10 10 DGCE [N-]=[N+]=NC1CN(C(=O)c2ncc(Cl)c(Cl)c2Cl)C1 1912208187 QBIUUJWDFQGKKE-UHFFFAOYSA-N 306.540 3.177 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]([C@@H](N)c1ccccc1O)C(C)(C)C 1928475767 BGFLCXVBLAERCQ-KBPBESRZSA-N 308.422 3.331 10 10 DGCE OCc1ccc(N2CCS[C@H]3CC[C@@H]32)c(Br)c1 1946790850 KIHXUZBQWZSOBG-STQMWFEESA-N 314.248 3.026 10 10 DGCE C[C@H]1C[C@H](Nc2ccccc2N)CCN1C(=O)OC(C)(C)C 1959373466 IWTOEQXSTOFJAU-QWHCGFSZSA-N 305.422 3.469 10 10 DGCE C[C@@H](CCCCCO)NCc1cccc(Br)c1O 1969742414 FRIHAZOWYYDZCS-NSHDSACASA-N 316.239 3.186 10 10 DGCE CON(c1ccc(N)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1981366219 RIRXBPYXCJMVJF-UHFFFAOYSA-N 321.421 3.036 10 10 DGCE CC1(CCNCc2ccc(N)cc2)CN(C(=O)OC(C)(C)C)C1 1984661049 NJANPYJNUBZRQD-UHFFFAOYSA-N 319.449 3.006 10 10 DGCE CC[C@H](C)N(Cc1ccccc1)C(=O)c1cc(O)c(O)c(O)c1 1988088465 FBRNEGZFNHCAQL-LBPRGKRZSA-N 315.369 3.244 10 10 DGCE Nc1c(C2CCCCC2)cnn1Cc1cc([N+](=O)[O-])ccc1O 2070287248 HYQFBPJTUWQUEH-UHFFFAOYSA-N 316.361 3.175 10 10 DGCE Oc1c(Br)cccc1CNC[C@H]1C2C[C@@H]3C1[C@@H]3C2 2070863772 CZLMKGHWHOYQBD-YKLYVNGCSA-N 308.219 3.146 10 10 DGCE Oc1c(Br)cccc1CNC[C@@H]1C2C[C@@H]3C1[C@@H]3C2 2070863773 CZLMKGHWHOYQBD-YPSIVMBFSA-N 308.219 3.146 10 10 DGCE CN[C@H](C)c1ccc(N(C)Cc2ccon2)cc1Br 2104162236 VKKZSJUDRXWSDS-SNVBAGLBSA-N 324.222 3.354 10 10 DGCE CN1CCc2cc([C@@H](O)[C@H](N)c3ccsc3Cl)ccc21 2147447215 SMSFWXNBSAQAOX-ZIAGYGMSSA-N 308.834 3.127 10 10 DGCE CC1(C)C[C@H](C(=O)O)CN1Cc1cc(Cl)cc(Cl)c1O 2162142203 DVYLZTDZRKTEMC-VIFPVBQESA-N 318.200 3.384 10 10 DGCE CCN1CCc2cc([C@H](NN)c3cscc3Cl)ccc21 2163130332 GVXABDBEIPRWAR-HNNXBMFYSA-N 307.850 3.337 10 10 DGCE COCCN(c1ccc([C@@H](C)N)c(Cl)c1)[C@H]1CCSC1 2170140860 PLEHHRQTCPRNNO-YPMHNXCESA-N 314.882 3.318 10 10 DGCE CN(Cc1ccccc1O)c1ccc(C(N)=S)c(Cl)c1 2192567921 SGCTTXASWAYUNP-UHFFFAOYSA-N 306.818 3.316 10 10 DGCE Cc1n[nH]c(C)c1CCNCc1cc(Cl)cc(Cl)c1O 2199722882 KWOWODLZCQGBOO-UHFFFAOYSA-N 314.216 3.371 10 10 DGCE OCCN(Cc1ccccc1)c1ccc(CNC2CCC2)cc1 2212576147 JKBDCPXYKOVCFX-UHFFFAOYSA-N 310.441 3.328 10 10 DGCE Nc1cccc(Br)c1N[C@H](C(F)F)[C@H]1CCOC1 2223187714 BJZCHIDOMHBIPK-XVKPBYJWSA-N 321.165 3.113 10 10 DGCE C[C@@H](O)c1ccc(N2CC(OC(F)(F)CF)C2)c(Cl)c1 2237642574 XFJXANKJDQOSPK-MRVPVSSYSA-N 309.715 3.161 10 10 DGCE CCCC1=NN2C(=N)C(=Cc3cccc(C)c3)C(=O)N=C2S1 2296753983 LYKIFEUUBVUFKO-UHFFFAOYSA-N 312.398 3.414 10 10 DGCE C[C@H](NC(=O)C=Cc1ccc(O)c(O)c1)c1ccc(F)cc1F 2307982116 OQHGNBZXPCRYLO-JTQLQIEISA-N 319.307 3.267 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@@H]3C[C@H]2[C@@H]2C[C@H]32)cc1Br 2308715670 AGOHZSALKXPWCT-IDVPMLIHSA-N 308.219 3.347 10 10 DGCE Cc1ccc(CN2[C@@H](C)COC[C@@H]2C)c(O)c1Br 2327563978 IKSQGCPDHMMBRE-QWRGUYRKSA-N 314.223 3.072 10 10 DGCE CO[C@H]1CC[C@H]1N(C)Cc1ccc(C)c(Br)c1O 2327609885 QCKIOEJQXAMDIR-NEPJUHHUSA-N 314.223 3.072 10 10 DGCE CCC1=NN(CC)C(=O)C1=Cc1ccc(Br)cc1 2332147587 MFVOCWDYFURDFK-UHFFFAOYSA-N 307.191 3.461 10 10 DGCE Cc1ccc(CNC(=O)[C@]23C[C@@H](C)[C@H]2C3)c(O)c1Br 2352644044 VULOLUSSIGLYJX-OSQNNJELSA-N 324.218 3.125 10 10 DGCE C[C@H](N)c1ccc(N2CCN(c3nccs3)CC2)cc1Cl 78902257 BELHSXLKMYXLSK-NSHDSACASA-N 322.865 3.143 10 10 DGCE COc1ccc(N(Cc2nnnn2C(C)C)[C@@H](C)C2CC2)cc1 111236756 YQOWIGWPRMKAJF-ZDUSSCGKSA-N 315.421 3.068 10 10 DGCE COc1ccc(O)c(CNC(=O)c2[nH]c3ccc(C)cc3c2C)c1 155367488 ITAVGALRIRMRGQ-UHFFFAOYSA-N 324.380 3.429 10 10 DGCE Nc1ccc(NC(=O)c2cccc(F)c2Br)cc1 155663278 XQXKXRSYJHRBRK-UHFFFAOYSA-N 309.138 3.423 10 10 DGCE Cc1ccc([C@H](C)NCCCc2c(C)nn(C)c2C)c(O)c1 186227946 PXHQUBWCUPYUCX-ZDUSSCGKSA-N 301.434 3.334 10 10 DGCE Nc1ccc(NC(=S)Nc2nnc(Cl)cc2Cl)cc1 244056784 TWKQKZFECXEAOG-UHFFFAOYSA-N 314.201 3.175 10 10 DGCE COc1ccc(N(CC[C@H]2CCOC2=O)[C@H](C)C2CC2)cc1 247096243 YUFFJVDRCMWMIP-HIFRSBDPSA-N 303.402 3.253 10 10 DGCE Cc1ccc(NC(=O)c2nc[nH]c2N=NN2CCCCC2)cc1 254822322 CVUAMTDJXWTFCK-UHFFFAOYSA-N 312.377 3.455 10 10 DGCE CSc1cccc(N(C)C(=O)/C=C\c2cnn(C)c2C)c1 255414071 AWVWAYWLTDOTFT-HJWRWDBZSA-N 301.415 3.127 10 10 DGCE CCNCc1ccc(N(C)C[C@@H](C)OC)c(Br)c1 306110112 VZDBOYJIOCRXCS-LLVKDONJSA-N 315.255 3.030 10 10 DGCE COc1cccc(CN[C@H](c2ccccc2)[C@H]2CCOC2)c1O 374496178 LBINVSAEBAVNFK-FUHWJXTLSA-N 313.397 3.268 10 10 DGCE C[C@@H]1CC[C@@H](N(C)Cc2cccc(Br)c2O)CO1 401534384 RCTIXDLHDFSAPA-ZYHUDNBSSA-N 314.223 3.154 10 10 DGCE Oc1ccc(Br)cc1CNCC[C@@H]1CCCOC1 527739366 MRNBESDGUCVONP-NSHDSACASA-N 314.223 3.061 10 10 DGCE C[C@@H]1CCC[C@@H](CNCc2cccc(Br)c2O)O1 688867036 RKCDUKIEPWDCGI-PWSUYJOCSA-N 314.223 3.202 10 10 DGCE C[C@H](NCc1ccc(Br)cc1O)c1ccccn1 691445314 PCBBEMVXFOPMIP-JTQLQIEISA-N 307.191 3.401 10 10 DGCE CS[C@@H]1CC[C@H]1NCc1ccc(Br)cc1O 702014341 FENQGUGQBXYQPW-ZYHUDNBSSA-N 302.237 3.138 10 10 DGCE CO[C@H](C)c1cccc(NC(=O)NCc2ccccc2O)c1 727032882 VZFWADHRVBQHAG-GFCCVEGCSA-N 300.358 3.421 10 10 DGCE Cc1cc(Cl)cc(CN2CC[C@@H](N3CCCCC3)C2)c1O 775676902 AHNDOYZAIBLBPJ-MRXNPFEDSA-N 308.853 3.414 10 10 DGCE COc1ccc(O)c(CNCc2ncc(C(F)(F)F)s2)c1 788519985 SGVLHUIYGNYOCD-UHFFFAOYSA-N 318.320 3.166 10 10 DGCE CCOc1cccc(CN2CCOC[C@@H]2CC2CCC2)c1O 816667290 IZJNXFJKCJTHPR-INIZCTEOSA-N 305.418 3.182 10 10 DGCE Cc1ccccc1[C@@H](O)CNCc1ccc(N2CC=CC2)cc1 819094449 HJGICOFPDIUTFA-FQEVSTJZSA-N 308.425 3.194 10 10 DGCE Cc1cc(C(=O)N2Cc3c[nH]nc3C2)c(C)n1-c1ccc(F)cc1 820213600 NWPPQKIAFOZDKZ-UHFFFAOYSA-N 324.359 3.112 10 10 DGCE Fc1cc(CN[C@@H]2CCCC23CCC3)ccc1N1CCOCC1 823671305 KVHIEFJCVZDXOR-GOSISDBHSA-N 318.436 3.475 10 10 DGCE COCC1(NCc2cc(Cl)cc(OC)c2O)CCCCC1 827933892 DUZAYYCDSQHGKA-UHFFFAOYSA-N 313.825 3.493 10 10 DGCE Oc1ccccc1CN(CCC[C@H]1CCOC1)C[C@H]1CCCO1 828062136 BYIDBXQDPYGAFE-FUHWJXTLSA-N 319.445 3.190 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC(C2CC2)C1 840481388 DHZSJLBHYJKZAB-AWEZNQCLSA-N 315.461 3.043 10 10 DGCE C[C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C[C@H]1C(=O)O 843040133 GRAVLDIXAATMNM-MAUKXSAKSA-N 316.445 3.220 10 10 DGCE CC[C@@H](N[C@H]1C[C@@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1O 846187940 CXAUSYPRKCYQON-VHSKPIJISA-N 317.216 3.004 10 10 DGCE Oc1ccc(Cl)c(F)c1CNCC1(O)CCC(F)(F)CC1 850405603 WPXRANCJSXATRU-UHFFFAOYSA-N 323.742 3.215 10 10 DGCE COc1ccc(N2CC[C@H](N[C@H](C3CCC3)C3CC3)C2)cc1 850485952 DKXLPXHQKIKRST-QFBILLFUSA-N 300.446 3.442 10 10 DGCE CC(C)[C@@H]1CC[C@@H]1NCc1ccc(N2CCC(O)CC2)cc1 850567967 MXIUSVJEZKAUJF-OALUTQOASA-N 302.462 3.172 10 10 DGCE O=C(NCc1ccccc1O)[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]21 860233693 NXRYDHVZYYEXCK-BHYGNILZSA-N 313.784 3.248 10 10 DGCE FCC[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)CCO1 862529379 CQJYQUPXBADMHD-SFHVURJKSA-N 306.425 3.237 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC12CC(OCC)C2 866598768 OVNZMPVPUIZJER-WUJZJPHMSA-N 317.429 3.336 10 10 DGCE Cc1cccc(C)c1OCCC(=O)N1Cc2cccc(O)c2C1 871198260 FBRYLDSTVUVBCZ-UHFFFAOYSA-N 311.381 3.320 10 10 DGCE CC[C@@H](NCc1cc(Cl)cc(F)c1O)[C@@H]1CCCOC1 895661347 ABKAPFGPFANIIG-QMTHXVAHSA-N 301.789 3.480 10 10 DGCE COCc1cccc(C(=O)NCc2cccc(Cl)c2O)c1 1159033321 FZJDUKPEYAUFGS-UHFFFAOYSA-N 305.761 3.122 10 10 DGCE CCOC(=O)[C@@H]1C[C@H]1CN(Cc1ccc(N(C)C)cc1)C(C)C 1167107878 JKCVVEDDWHCEQX-FUHWJXTLSA-N 318.461 3.162 10 10 DGCE C[C@@H](NC(=O)C1=Cc2cc(F)ccc2OC1)c1ccccc1O 1302530713 XKHWVPIXVGOXDW-LLVKDONJSA-N 313.328 3.185 10 10 DGCE Cc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CC[C@H](F)C1 1304794497 LCPJNBVEAZWVGQ-ZFWWWQNUSA-N 318.396 3.067 10 10 DGCE CCSCc1ccc(C(=O)NCc2cc(O)ccc2O)cc1 1455356586 JPTGRUJFTSRXGK-UHFFFAOYSA-N 317.410 3.281 10 10 DGCE C[C@H](Cc1ccccc1Cl)NC(=O)c1c(F)ccc(O)c1O 1457560088 SGNJVKQOLUQSOG-SECBINFHSA-N 323.751 3.251 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)[C@H]2CCC[C@H](C)C2)cc1 1527594695 DSDGNIXAOSLNEY-HOTGVXAUSA-N 318.461 3.416 10 10 DGCE Cc1ncccc1/C=C/C(=O)N1CCN(C)c2cc(F)ccc21 1531588477 CYDITAPSAUGEHS-VMPITWQZSA-N 311.360 3.025 10 10 DGCE C[C@H](NC(=O)c1ccc2nc(S)oc2c1)c1ccccc1O 1587450964 CBNJYIUKKJIXMR-VIFPVBQESA-N 314.366 3.313 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)[C@@]2(C)CC(C)=NO2)cc1 1628857932 RVMSGZICXBDZSZ-GOSISDBHSA-N 317.433 3.046 10 10 DGCE CC(C)[C@@H]1c2ccccc2CCN1C(=O)c1cccc(O)c1O 1635496818 KMGXWMOXWROCMT-QGZVFWFLSA-N 311.381 3.493 10 10 DGCE Cc1cc(Cl)c(C(=O)NCc2ccc(O)cc2O)cc1C 1643103617 CBTPYGQNYZVYPM-UHFFFAOYSA-N 305.761 3.298 10 10 DGCE Cc1cc(CN2C[C@H](C)[C@](C)(CO)C2)ccc1N1CCCCC1 1647806502 IFPJHZUGZKIGJK-PXNSSMCTSA-N 316.489 3.436 10 10 DGCE Cc1cnc(Br)c(NC(=O)Nc2ccc(N)cc2)c1 1876152520 HFAJKCKUNGGPSC-UHFFFAOYSA-N 321.178 3.379 10 10 DGCE C[C@H](O)CN(Cc1ccccc1)c1ccc(CO)c(Cl)c1 1914610117 QQHWAXSGWIXNPM-ZDUSSCGKSA-N 305.805 3.220 10 10 DGCE CN(Cc1nccn1Cc1ccccc1)c1ccc(CN)c(F)c1 1915033797 LPVURVXRYJBVRR-UHFFFAOYSA-N 324.403 3.166 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H](C[C@H](N)c2ccccc2O)C1 1936971485 WSGQIJOMJIAUTE-ZFWWWQNUSA-N 320.433 3.429 10 10 DGCE Cn1ncc(NCc2ccc(Cl)cc2O)c1Br 1942494320 MUYPBHKUPXUBGD-UHFFFAOYSA-N 316.586 3.154 10 10 DGCE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1Nc1ccccc1N 1959369864 BSUJTVTWODKQIB-JSGCOSHPSA-N 305.422 3.326 10 10 DGCE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CN(CCCCN=[N+]=[N-])C2 1962286500 ATSVNXJHBUZFAO-STQMWFEESA-N 309.414 3.161 10 10 DGCE CN1CC[C@H](NCc2cc(Cl)cc(Cl)c2O)CC12CC2 1974260511 JLNQHDCURSMMJH-LBPRGKRZSA-N 315.244 3.415 10 10 DGCE CC[C@H]1CC[C@@](N)(c2ccccc2O)CN1C(=O)OC(C)(C)C 1975985809 OGIKNDICURAGNZ-UGSOOPFHSA-N 320.433 3.356 10 10 DGCE Cc1cccc(N)c1N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1F 1977665803 DJOMEXFRUAHSTG-TZMCWYRMSA-N 323.412 3.337 10 10 DGCE CCN(C[C@@H](C)NC(=O)OC(C)(C)C)c1ccc(OC)cc1N 1977943290 QBDUAVKGYAVVLL-GFCCVEGCSA-N 323.437 3.017 10 10 DGCE C[C@@H](CO)N(Cc1ccccc1)c1ccc2c(c1)CCC[C@@H]2O 1986601578 WOMPHINJYUGVGC-YWZLYKJASA-N 311.425 3.444 10 10 DGCE C[C@@H]1C[C@@](N)(c2ccc3c(c2)CCN3C)CN1Cc1ccccc1 1999506297 CYNZFBCVIVFTLH-IERDGZPVSA-N 321.468 3.127 10 10 DGCE CCO[C@H](CNCc1cccc(Br)c1O)C1CC1 2068152305 UPHCVHWZILKEAM-CYBMUJFWSA-N 314.223 3.059 10 10 DGCE Cc1ccc(O)c([C@H](C)n2cc(C(=O)OC(C)(C)C)cn2)c1 2069977286 NNJASKPVQPDXGE-LBPRGKRZSA-N 302.374 3.462 10 10 DGCE CN(C)Cc1cc(C2CCCC2)nn1Cc1cc(F)ccc1O 2070041022 TZZGNNGPFIEGDY-UHFFFAOYSA-N 317.408 3.495 10 10 DGCE Cc1ccc([C@H](C(C)C)n2nc(C3(C)CC3)c(N)c2N)c(O)c1 2079023852 VVDULQDTJRBMPM-HNNXBMFYSA-N 314.433 3.358 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNCCCc1cnoc1 2090716884 XOROLXWUNZFMKI-UHFFFAOYSA-N 301.173 3.409 10 10 DGCE C[C@@H]1C[C@@H](C)N(Cc2cc(Cl)cc(Cl)c2O)CCN1 2108181642 KEHYBQSRCBWIMG-NXEZZACHSA-N 303.233 3.271 10 10 DGCE CC[C@@H](N)Cc1cnc(SCCCOC2CCC2)s1 2128299821 UUAHBSUCJFEFIX-LLVKDONJSA-N 300.493 3.474 10 10 DGCE C[C@@H](N)c1ccc(N(C)Cc2ncc(Cl)n2C)cc1Cl 2166108834 LGWGJCARSICMOU-SECBINFHSA-N 313.232 3.383 10 10 DGCE COc1ccc(Br)c(CNCCCC2CC2)c1O 2220446882 DASZDBYXACQKDP-UHFFFAOYSA-N 314.223 3.443 10 10 DGCE COc1cc(Cl)cc(CN[C@H]2CC[C@H]2C(F)(F)F)c1O 2232598235 XPXZZTVFNGKRBR-ZJUUUORDSA-N 309.715 3.485 10 10 DGCE COc1ccc(N2CC3(CC(F)C3)C2)c(Br)c1 2247043534 JLIJZTAHJGYVCR-UHFFFAOYSA-N 300.171 3.396 10 10 DGCE CCN(Cc1ccc(N)cc1)C(=O)c1cc(Br)co1 2270469828 PZLIQXOJSNEFJB-UHFFFAOYSA-N 323.190 3.287 10 10 DGCE N=C(NO)c1cnc(SC[C@H]2CCCCC2(F)F)s1 2278779615 LWQSREJCRGAPET-SSDOTTSWSA-N 307.391 3.365 10 10 DGCE CCOc1ccccc1C=C1SC(N2CCCC2)=NC1=O 2296690775 FLLWWRPBAOPGAL-UHFFFAOYSA-N 302.399 3.151 10 10 DGCE Cc1ncsc1C=CC(=O)N1CCOc2ccc(F)cc21 2310100267 JLYJLSPYDZPOEG-UHFFFAOYSA-N 304.346 3.029 10 10 DGCE C[C@@H](O)CCCN(C)c1ccc([C@@H](C)O)c(Br)c1 2314597571 CXTDENOZDVRBRF-GHMZBOCLSA-N 316.239 3.100 10 10 DGCE Cc1ccc(CN2C[C@@H]3C[C@H]2[C@H]2C[C@@H]23)c(O)c1Br 2327598852 HLUFZBKKAKRVSK-RNJOBUHISA-N 308.219 3.303 10 10 DGCE Cc1ccc(CN(C)C(=O)[C@@H]2C[C@H]2C)c(O)c1Br 2327610268 SZJPQQUJZCLSHJ-MWLCHTKSSA-N 312.207 3.078 10 10 DGCE CC(C)(C)OC(=O)N1CCCN(N=Nc2ccc(O)cc2)CC1 2330146289 HLLRQHVNPQSGNM-UHFFFAOYSA-N 320.393 3.334 10 10 DGCE Cc1coc(C(=O)NCc2ccc(C)c(Br)c2O)c1 2352942542 GTBKUSMYZSIWMJ-UHFFFAOYSA-N 324.174 3.295 10 10 DGCE Nc1cc(Cl)cc(Cl)c1NC(=O)c1ccc(O)c(O)c1 2353866045 YIWSKAHDIZADHF-UHFFFAOYSA-N 313.140 3.239 10 10 DGCE CC1=NNC(=O)/C1=C/c1ccc(-c2nc3ccccc3s2)o1 109058768 CBKQINRARGUYBE-DHZHZOJOSA-N 309.350 3.445 10 10 DGCE O=[N+]([O-])c1ccc(O)c(CN2CCC[C@@H](c3nccs3)C2)c1 170914410 LJRHWSZDASAJFC-LLVKDONJSA-N 319.386 3.137 10 10 DGCE CCN[C@H](C)c1ccc(N2CCOC[C@@H](F)C2)cc1Cl 2361817138 ZNLWSKRGMPUBCY-NEPJUHHUSA-N 300.805 3.185 10 10 DGCE COc1ccc(CN(C)CCOc2cccc(C)c2)c(O)c1 121550978 YGHBVXQUOIJMSM-UHFFFAOYSA-N 301.386 3.220 10 10 DGCE O=C(c1cccc(O)c1O)N1CCC[C@H]1Cc1cccc(F)c1 187030827 NOELQGNONDKLMT-AWEZNQCLSA-N 315.344 3.084 10 10 DGCE C[C@H]1CN(c2ccc(CNC3CC3)cc2Cl)C[C@@H](C)N1C 127918848 QZFABMHGZLSMKF-BETUJISGSA-N 307.869 3.121 10 10 DGCE CCOc1cccc(OC(=O)N(C(C)=O)c2ccc(N)cc2)c1 242752573 DHRJBQCLRPOQIK-UHFFFAOYSA-N 314.341 3.219 10 10 DGCE COc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@H](C)c1ccccc1O 827960116 JJYOKZGUFSYQJI-VBNZEHGJSA-N 311.381 3.382 10 10 DGCE CN(C)c1ccc(CN2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1F 824696987 WYIXCPIJYLYCLA-KVSKMBFKSA-N 320.452 3.407 10 10 DGCE Cc1cc(O)c(CNCc2ccc(CO)c(F)c2)cc1Cl 825137465 AOKSRPHQSYWVJG-UHFFFAOYSA-N 309.768 3.275 10 10 DGCE Oc1c(CN[C@@H]2CCN(Cc3ccccc3)C2)ccc(F)c1F 700783780 XAWIERSELLWGTL-OAHLLOKOSA-N 318.367 3.035 10 10 DGCE CO[C@H](CCNC/C=C/c1ccc(N(C)C)cc1)C(F)(F)F 835049429 DNGCKJOCCXAQRL-MBVDDHJVSA-N 316.367 3.323 10 10 DGCE CN(C)c1ccc(/C=C/CNC[C@](C)(O)c2cccs2)cc1 835039475 FHYWNRKMQUNMKX-JXTAAOLFSA-N 316.470 3.325 10 10 DGCE COc1cccc([C@@H](C)NCc2ccc(C)c([N+](=O)[O-])c2)c1O 866539261 AKMOUUPSYQQDEL-GFCCVEGCSA-N 316.357 3.468 10 10 DGCE C[C@@H](NC(=O)C1CC2(CSC2)C1)c1ccc(N(C)C)cc1 867503925 QOYXPYJHUSTVCD-GFCCVEGCSA-N 304.459 3.073 10 10 DGCE C[C@H](NC(=O)N[C@H]1c2ccccc2O[C@H]1C)c1ccccc1O 868617170 ABRYQBFRDBEBNI-NVGCLXPQSA-N 312.369 3.275 10 10 DGCE c1cnc2nccc(NCc3ccc(N4CCOCC4)cc3)c2c1 872419362 FWFMRPBEFXUGCF-UHFFFAOYSA-N 320.396 3.079 10 10 DGCE Nc1ccc(OCCNc2cccc(Br)c2N)cc1 1876231404 YOQZPNHZUHPCOB-UHFFFAOYSA-N 322.206 3.104 10 10 DGCE Cc1c(F)ccc(N)c1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 1154669285 WFJSDJGKOCIJIH-GFCCVEGCSA-N 315.392 3.273 10 10 DGCE C[C@@H]1CN(CCCN=[N+]=[N-])C[C@H]1CCNC(=O)OC(C)(C)C 1962304641 OFBUPDORPOQNQY-CHWSQXEVSA-N 311.430 3.170 10 10 DGCE Cc1cc(-c2nnc(Cn3ccnc3)o2)c(C)n1-c1ccccc1 1347426650 XEJZEVROBFFXNG-UHFFFAOYSA-N 319.368 3.389 10 10 DGCE Cn1ccc2ccc([C@H]3CNCCN3C(=O)OC(C)(C)C)cc21 1535968772 FZQDVBPWWYJCAO-MRXNPFEDSA-N 315.417 3.060 10 10 DGCE Cn1ccc(C(=O)NCc2ccccc2O)c1-c1ccccc1 1465990104 BCGDPJZSUSCJKF-UHFFFAOYSA-N 306.365 3.328 10 10 DGCE O=C(Nc1c(Cl)ccc2nonc12)[C@@H]1C[C@H]1c1ccncc1 1543806465 YJQOOVBKJJZOHR-VHSXEESVSA-N 314.732 3.013 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCc2c(Cl)cccc21 1625548906 DBZVBVJBYGGMOT-CQSZACIVSA-N 317.772 3.097 10 10 DGCE C[C@@H](NC(=O)c1ncc2cc(Cl)ccn12)c1ccccc1O 1635793737 FWQUTGFSXAHXKK-SNVBAGLBSA-N 315.760 3.184 10 10 DGCE Cc1cncc(/C=C/C(=O)NCc2cc(Cl)ccc2O)c1 1632229056 YCPYWLZWGSOLFN-GORDUTHDSA-N 302.761 3.079 10 10 DGCE Cc1ccc([C@H](NC(=O)Cc2ccc(O)c(O)c2)C2CC2)cc1 1587809633 JBPAACHYDYIPIY-IBGZPJMESA-N 311.381 3.216 10 10 DGCE COc1ccc(N(C)CCN(C)C/C(Cl)=C/Cl)cc1 1659280585 GPYGYCDLHMTUOV-BENRWUELSA-N 303.233 3.382 10 10 DGCE COc1ccc(CN[C@H](C)CNC(=O)[C@@H](C)C(C)(C)C)cc1C 1662263153 PTYOCWNIKBOZGN-HUUCEWRRSA-N 320.477 3.280 10 10 DGCE CP(C)(=O)[C@@H]1CCN(c2cc(Cl)c(CN)cc2F)C1 2125217417 RCVGCSQVNMUAIM-SNVBAGLBSA-N 304.733 3.139 10 10 DGCE CC1(CNC(=O)NCc2cccc(Cl)c2O)C[C@@H]2C[C@H]2C1 1684416245 RWHOTLXDKXLCMW-RYUDHWBXSA-N 308.809 3.281 10 10 DGCE COC[C@@H](NC(=O)c1cc(C)n(-c2ccccc2)c1C)C1CC1 155421315 YZDKAPVYPOKAEG-GOSISDBHSA-N 312.413 3.249 10 10 DGCE CC1(C)CC(N=NNc2ccc(CC(=O)O)cc2)CC(C)(C)N1 1860489346 IUTOVOGREHCXBU-UHFFFAOYSA-N 318.421 3.402 10 10 DGCE CN(C)c1ccc(-c2nc3cc(C(=O)NC4CC4)ccc3[nH]2)cc1 1872730054 IWQVZOYSNFZYHB-UHFFFAOYSA-N 320.396 3.188 10 10 DGCE CCN(CC)c1ccc([C@H](CN)N(C)c2ccc(O)cc2)cc1 32077815 VDDVVEVKJIONEJ-IBGZPJMESA-N 313.445 3.375 10 10 DGCE Cc1ccccc1NC(=O)CCNCc1cc(Cl)ccc1O 1857854468 DKBBMLYJFAJKSE-UHFFFAOYSA-N 318.804 3.472 10 10 DGCE Cc1nc(Cl)nc(Cl)c1CCN1CCC(N=[N+]=[N-])CC1 1912150856 ZEAAZCWNWRJLFY-UHFFFAOYSA-N 315.208 3.409 10 10 DGCE CC[C@H](N)c1ccc(N2CC(N(C)Cc3ccccc3)C2)cc1 1914194500 XUYLHBLNSHOZPY-FQEVSTJZSA-N 309.457 3.417 10 10 DGCE [N-]=[N+]=NC1CN(C(=O)c2ccc(Cl)cc2Br)C1 1912203801 GLGOBEPXYLCFIZ-UHFFFAOYSA-N 315.558 3.237 10 10 DGCE C[C@H](O)c1ccc(N(Cc2ccccc2)C2COC2)c(F)c1 1915733708 RLPQAYBUPKEILD-ZDUSSCGKSA-N 301.361 3.284 10 10 DGCE CC(C)[C@@H](CNC(=O)OC(C)(C)C)[C@@H](N)c1ccccc1O 1928472846 UZKXQEJANRLPNS-HIFRSBDPSA-N 308.422 3.189 10 10 DGCE CN[C@H](CN(C(=O)OC(C)(C)C)C1CC1)c1ccccc1O 1928469513 ITGYFMYNEAJJGD-CQSZACIVSA-N 306.406 3.052 10 10 DGCE Oc1cccc(Br)c1CNC1(C(F)F)CCC1 1942731166 XRSSVRLVOIKRJA-UHFFFAOYSA-N 306.150 3.432 10 10 DGCE COc1c(Br)cc(Cl)cc1[C@H](CO)N=[N+]=[N-] 1951361580 VEMPJXZBIHWVPA-QMMMGPOBSA-N 306.547 3.455 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H](N)C[C@@H]1c1c(O)cccc1Cl 1952535860 PZLIEBBORXLDSR-MWLCHTKSSA-N 312.797 3.055 10 10 DGCE C[C@H](c1ccc(N(C)C)cc1)N(Cc1ccccc1)C1CNC1 1976693849 RJVOKCHUGWINKR-MRXNPFEDSA-N 309.457 3.288 10 10 DGCE CC(C)(C)OC(=O)N1CCCC[C@H]([C@@H](N)c2ccccc2O)C1 1984321944 ZFQNPDSMPYGUPY-XJKSGUPXSA-N 320.433 3.429 10 10 DGCE CN(Cc1ccc(Br)cc1O)[C@@H]1CCOC1(C)C 2036282344 XRAGCFUOQYUZBR-CYBMUJFWSA-N 314.223 3.154 10 10 DGCE C[C@H]1CCC[C@H](CNCc2c(O)cccc2Br)O1 706805343 ZEJPEBPYBJNBKJ-WDEREUQCSA-N 314.223 3.202 10 10 DGCE Oc1cccc(Cl)c1CNCCCn1cc(Cl)cn1 382368953 OIFZQDXQFLDCRC-UHFFFAOYSA-N 300.189 3.075 10 10 DGCE Cc1oc(Br)cc1C(=O)N(C)Cc1ccc(N)cc1 396532864 JYFZCBZHMSPIES-UHFFFAOYSA-N 323.190 3.205 10 10 DGCE OCc1ccc(N2CCO[C@H](c3cccs3)C2)cc1Cl 2171859702 OANVZSDZYDLBAF-AWEZNQCLSA-N 309.818 3.472 10 10 DGCE CNCc1cc(CC(C)C)nn1[C@H](C)c1c(O)cccc1F 2070052518 ZWVOFEIXZZYUNQ-GFCCVEGCSA-N 305.397 3.255 10 10 DGCE CCNC(=O)c1cc(C2CC2)nn1[C@H](C)c1cc(C)ccc1O 2070169435 URRFLONWVXMZSS-GFCCVEGCSA-N 313.401 3.134 10 10 DGCE C[C@H](N)c1ccc(N(C)Cc2c(Cl)ncn2C)c(Cl)c1 2168141871 NIWDVGLGYDZCJN-VIFPVBQESA-N 313.232 3.383 10 10 DGCE O=Cc1nn(Cc2cccc(F)c2O)c(C(F)(F)F)c1Cl 2079227076 CJYYQUPUYMJCDO-UHFFFAOYSA-N 322.645 3.261 10 10 DGCE CN(CCCN=[N+]=[N-])C[C@@H](O)c1ccccc1Br 2050509488 AAPKVALPTKOAPC-GFCCVEGCSA-N 313.199 3.115 10 10 DGCE FC[C@H]1CCN1c1ccc(CNC2CC2)cc1Br 2063224892 JRGPTAYUHSALFP-GFCCVEGCSA-N 313.214 3.249 10 10 DGCE CO[C@H]1CC[C@H]1CCN(C)c1cc(Cl)c(CN)cc1F 2186880929 YHZLTYWCRLEIKB-BONVTDFDSA-N 300.805 3.189 10 10 DGCE Cc1oc(Br)cc1[C@@H](N)c1ccc2c(c1)CCN2C 2106855235 LYAUNXGGZFWCPD-HNNXBMFYSA-N 321.218 3.391 10 10 DGCE COc1ncc(Cl)cc1NCc1cc(F)cc(F)c1O 2232906316 YGKJSWWIJIBDOQ-UHFFFAOYSA-N 300.692 3.340 10 10 DGCE Cc1cc(Br)cnc1C(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-] 2269656255 HMLZTZOSJKUPCI-VHSXEESVSA-N 324.182 3.114 10 10 DGCE CN(C[C@@H]1CCC1(F)F)c1ccc(CO)c(Br)c1 2313738001 WIGYMMQIASZTSR-JTQLQIEISA-N 320.177 3.423 10 10 DGCE Cc1ccc(CN[C@H]2C[C@]23CC3(F)F)c(O)c1Br 2327792406 JMJYZGVIVBVFDI-CABZTGNLSA-N 318.161 3.350 10 10 DGCE Cc1ccc(CNCc2ccncc2)c(O)c1Br 2327799460 VVZTYZCMPLYVNS-UHFFFAOYSA-N 307.191 3.148 10 10 DGCE CC1(C)COC[C@@H]1CNCc1cc(Cl)cc(Cl)c1O 2336149461 YVDPXZNMAKKBQA-JTQLQIEISA-N 304.217 3.461 10 10 DGCE CO[C@@H]1C[C@@H]2C[C@H]1CN2Cc1cc(Cl)cc(Cl)c1O 2340765772 BZBVNXXBMQDWHW-LJUAHTATSA-N 302.201 3.308 10 10 DGCE CN(Cc1cscn1)c1c(F)cc(CNC2CC2)cc1F 62718557 JRLZMZFNKGNFCZ-UHFFFAOYSA-N 309.385 3.310 10 10 DGCE CCN(C(=O)c1cncc(Br)c1)c1ccc(N)cc1 63114231 OUMWTNKYCNGPHG-UHFFFAOYSA-N 320.190 3.093 10 10 DGCE C[C@@H](N)c1ccc(N2CCSC[C@H]2C)c(Br)c1 70220122 RZRYMLOJWZXHAE-NXEZZACHSA-N 315.280 3.411 10 10 DGCE CN1CCc2cc(Cc3nccn3Cc3ccc(N)cc3)ccc21 82734599 KQEJEJNJMAPXCJ-UHFFFAOYSA-N 318.424 3.097 10 10 DGCE COC(=O)[C@H](NCCCN=[N+]=[N-])c1ccc(Cl)c(Cl)c1 90259528 ITZFZJSNTVAIRN-LLVKDONJSA-N 317.176 3.498 10 10 DGCE CSc1ccccc1O[C@H](C)C(=O)Nc1ccc(N)cc1 110980568 OXHCPQGKWSKURR-LLVKDONJSA-N 302.399 3.397 10 10 DGCE CCc1n[nH]c(NC(=O)c2cc(C)n(-c3ccccc3)c2C)n1 123234871 IDZPHJJIMYUFDL-UHFFFAOYSA-N 309.373 3.027 10 10 DGCE COC(C)(C)C[C@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1 155311500 AWXZAMQWRPLLOT-JKSUJKDBSA-N 320.477 3.377 10 10 DGCE CC[C@H]1CN(c2ccc(CNC3CC3)cc2Cl)CCN1C 164075858 CONLOIGBMVUUSG-HNNXBMFYSA-N 307.869 3.122 10 10 DGCE COc1ccc(O)c(CN(C)CCOc2ccc(C)cc2)c1 179620070 VVPNYLZOEQWCGO-UHFFFAOYSA-N 301.386 3.220 10 10 DGCE CC[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@@H]2CCCC(=O)C2=O)C1 229287184 XBJZMTDHZZGLGM-RDBSUJKOSA-N 323.433 3.350 10 10 DGCE O=[N+]([O-])c1ccc(O)c(CN2CCS[C@H]3CCCC[C@H]32)c1 246054784 AELVXCAKAQPXFY-HIFRSBDPSA-N 308.403 3.160 10 10 DGCE CC[C@@H](NCCNC(=O)c1ccccc1)c1ccc(F)cc1O 286328570 XVBHTDOHZBHHHK-MRXNPFEDSA-N 316.376 3.002 10 10 DGCE CCCN(C)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2 304311342 KIQKSQSHHWHCLI-UHFFFAOYSA-N 319.449 3.408 10 10 DGCE CCN(CC)c1ccc(NC(=O)COc2ccc(N)cc2)cc1 322104971 NBCVUMAXGKZDDL-UHFFFAOYSA-N 313.401 3.133 10 10 DGCE CCOCCCN(C)Cc1cc(Br)ccc1O 382799411 QPOQDMJBJIIROV-UHFFFAOYSA-N 302.212 3.013 10 10 DGCE COc1ccc(O)c([C@H](C)NC[C@@H]2CCN2C2CCCC2)c1 528004802 XLDZSUJHIWTLFY-ZFWWWQNUSA-N 304.434 3.068 10 10 DGCE CNCc1cc(F)c(N2CCCC[C@H](SC)C2)c(F)c1 687917084 DRRUPPBJFTWADP-LBPRGKRZSA-N 300.418 3.406 10 10 DGCE C[C@H](O)c1ccc(N2CCC(F)CC2)c(Br)c1 689404811 ITRACFJGBRJVIR-VIFPVBQESA-N 302.187 3.441 10 10 DGCE COCCNCc1ccc(N2CCC(F)CC2)cc1Cl 689421281 PKZGNLGFOPZFKJ-UHFFFAOYSA-N 300.805 3.014 10 10 DGCE CN(C[C@H]1C[C@@H]2C[C@@H]2C1)c1ccc(CN)c(Br)c1 697846677 WRCBCGLWKGKMJA-LMKPVCQUSA-N 309.251 3.390 10 10 DGCE C[C@H](N)c1ccc(N2CCO[C@@](C)(C(F)F)C2)cc1Cl 698821670 KHNYYYNBHQJLCC-LKFCYVNXSA-N 304.768 3.220 10 10 DGCE CO[C@@]1(C)C[C@@H]1NCc1cc(Cl)cc(Br)c1O 708198130 XEDIPTXZLBVICQ-JQWIXIFHSA-N 320.614 3.075 10 10 DGCE C[C@@H](NCc1cc(Br)cc(F)c1O)C(C)(F)F 715815743 ZTRDOSUTNQQTIN-ZCFIWIBFSA-N 312.129 3.427 10 10 DGCE COC(=O)c1ccc(O)c([C@@H](C)N[C@@H]2CCCC(F)(F)C2)c1 756764356 HATXSAUPVMBEHE-ZYHUDNBSSA-N 313.344 3.407 10 10 DGCE COC(=O)c1ccc(O)c([C@@H](C)N[C@@H]2CC3CCC2CC3)c1 756845336 UBNCTLCQNSGEFS-NEQJSVFRSA-N 303.402 3.408 10 10 DGCE Oc1ccccc1CNc1nccnc1NCc1ccccc1O 766063847 DBDGXLGJCZGVGV-UHFFFAOYSA-N 322.368 3.112 10 10 DGCE COc1ccc(N2CCC(Nc3c(C)nn(C)c3C)CC2)cc1 777578456 IXTBWMSUHFMRSL-UHFFFAOYSA-N 314.433 3.126 10 10 DGCE CCOC[C@H](C)N[C@H](C)c1cc(Br)ccc1O 779071487 GIRYJYQWERHSCX-VHSXEESVSA-N 302.212 3.230 10 10 DGCE COc1cc(N(C)CC2(OC)CCCCC2)cc(OC)c1OC 792173366 CNZNJJMPZWLMDY-UHFFFAOYSA-N 323.433 3.498 10 10 DGCE COc1ccc(CNC(=O)C/C=C/c2cccc(F)c2)c(O)c1 794387577 LLLMNNZOCAXACG-HWKANZROSA-N 315.344 3.260 10 10 DGCE C[C@H](N[C@H]1CCOC[C@H]1C)c1cccc(C(F)(F)F)c1O 815621572 XPAPSGYRVDIIBG-NRUUGDAUSA-N 303.324 3.487 10 10 DGCE Cc1cc(O)c(CNCc2c3c(nn2C)CCCC3)cc1Cl 825955537 NSJIAQVGZQMWMU-UHFFFAOYSA-N 319.836 3.256 10 10 DGCE Cc1nn(C)c2ncc(NC/C=C\c3ccc(N(C)C)cc3)cc12 835044202 HFHDMBBYSXSWKO-WAYWQWQTSA-N 321.428 3.468 10 10 DGCE CN1CCC[C@H](CCNC/C=C\c2ccc(N(C)C)cc2)C1 839182849 QPFDCHTUEQSOOH-WLPBJKJWSA-N 301.478 3.087 10 10 DGCE CCc1cccc(CNCc2ccc([N+](=O)[O-])c(OC)c2O)c1 846100113 HVODWUMYKAQCPP-UHFFFAOYSA-N 316.357 3.161 10 10 DGCE C/C(=C\c1ccccn1)C(=O)NCc1ccc(N2CCCC2)cc1 847338556 JQFNNOHIXQYFHN-JQIJEIRASA-N 321.424 3.402 10 10 DGCE CC[C@H](NCc1cc(Cl)cc(OC)c1O)[C@H]1CCCCO1 848928017 UETBHCFYEKCMMF-UONOGXRCSA-N 313.825 3.492 10 10 DGCE Fc1cc(CNCc2ccc(N3CCSCC3)cc2)ccn1 858100632 VQKIKKYQSCPEKI-UHFFFAOYSA-N 317.433 3.064 10 10 DGCE CCN(CC)c1ccc(CN2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cc1 862526796 DSVPFOXUEAOYDY-KGVIQGDOSA-N 320.502 3.018 10 10 DGCE CCOc1ccc(CNc2nc(C3(C)CC3)ns2)c(O)c1 865293756 VKMVCCASQJNNBH-UHFFFAOYSA-N 305.403 3.306 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CC=CC[C@H]2C)c1 898890963 JZULXJRCIQPJQR-LALPHHSUSA-N 304.390 3.116 10 10 DGCE CCOC(=O)CC1CCN(Cc2cc3c(cc2O)CCC3)CC1 914567431 ZCPRBZPTZJGJPU-UHFFFAOYSA-N 317.429 3.046 10 10 DGCE CC1(N2CCC2)CCC(N[C@@H]2CCc3cccc(O)c32)CC1 927037277 MLLXXJFBPLSHOR-KOHRHEQBSA-N 300.446 3.376 10 10 DGCE CCO[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C(C)C 1124905477 LATDFOKAHLBPGR-SFHVURJKSA-N 318.461 3.305 10 10 DGCE Cc1cc(OC(C)C)ccc1NC(=O)Cc1ccc(O)c(O)c1 1136321322 VTUUKXGDWRVNBX-UHFFFAOYSA-N 315.369 3.375 10 10 DGCE CN(C)c1ccc(CNC(=O)/C=C/COc2ccccc2)cc1 1264262220 XQGLNEZODOKKIT-RMKNXTFCSA-N 310.397 3.004 10 10 DGCE O=C(CC(C1CC1)C1CC1)NCc1ccc2cccnc2c1O 1330071845 REBXQLZNIKJKJP-UHFFFAOYSA-N 310.397 3.383 10 10 DGCE C[C@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@@H]1C 1333749190 QNDFTXRXHLSUIR-UWVGGRQHSA-N 305.399 3.431 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)Nc1n[nH]cc1-c1ccccc1 1456907378 FWJCWFAVNFDBOD-VQHVLOKHSA-N 321.336 3.140 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H](N)c1c(O)ccc2ccccc12 1535968409 DUYUHHOIBBZAAP-CYBMUJFWSA-N 302.374 3.070 10 10 DGCE CCOc1ccc(N(CCN2CCOC[C@@H]2C)CC2CC2)cc1 1620499551 VELXJGMADUQKPY-INIZCTEOSA-N 318.461 3.022 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)NCc2ccc(F)cc2F)cc1 1624250155 SPIYQRCAZNMTOL-UHFFFAOYSA-N 318.283 3.057 10 10 DGCE c1ccc(C[C@@H]2C[C@@H]2NCc2ccc(N3CCOCC3)cc2)cc1 1656529908 PTDWOJQFINZBCY-CTNGQTDRSA-N 322.452 3.244 10 10 DGCE COc1ccc(CNC[C@@H](C)NC(=O)CCC(C)C)cc1C 1732945399 KEVJUKBRKTUBPS-OAHLLOKOSA-N 306.450 3.034 10 10 DGCE CN[C@H](c1ccccc1O)[C@]1(CNC(=O)OC(C)(C)C)C[C@H]1C 1940040493 BVKCWPYNSULKMF-DWQUBVKVSA-N 320.433 3.204 10 10 DGCE C[C@@]1(CNCc2cccc(Br)c2O)CCCOC1 1962985812 BHSQFXSVEHHZKP-AWEZNQCLSA-N 314.223 3.061 10 10 DGCE C[C@@H](N[C@@H]1CCCC2(CC1)OCCO2)c1ccc(N(C)C)cc1 1967519136 BRKGCSHYBXXBLZ-NVXWUHKLSA-N 318.461 3.479 10 10 DGCE CCN(C[C@H](C)NC(=O)OC(C)(C)C)c1ccc(OC)cc1N 1977952109 QBDUAVKGYAVVLL-LBPRGKRZSA-N 323.437 3.017 10 10 DGCE CN(C)c1ccc([C@H](N)c2ncsc2Br)cc1 1999507020 FYBWVHKYAUQQTI-JTQLQIEISA-N 312.236 3.020 10 10 DGCE CO[C@H]1CC[C@H](NCc2cc(Br)ccc2O)CC1 2042523081 ZVLXESJZQFINAB-JOCQHMNTSA-N 314.223 3.202 10 10 DGCE C[C@H](N)c1ccc(N2CC3CC(F)(C3)C2)c(Br)c1 2045324682 XZHZXPOUYKCESH-IPWFMCSPSA-N 313.214 3.407 10 10 DGCE Cc1ccc([C@@H](C)n2cc(C(=O)OC(C)(C)C)cn2)c(O)c1 2069973144 NNUAGSBJUXRNTN-GFCCVEGCSA-N 302.374 3.462 10 10 DGCE Cc1cnn(Cc2cc(Cl)ccc2O)c1Br 2070299725 IMBGQMOGPKCQFX-UHFFFAOYSA-N 301.571 3.361 10 10 DGCE CCc1nn([C@@H](C)c2ccc(C)cc2O)c(Cl)c1C(=O)O 2079125953 XNRKWJWVBKRFQL-VIFPVBQESA-N 308.765 3.420 10 10 DGCE CN1CCCC[C@H](NCc2cc(Cl)cc(Cl)c2O)C1 2102349099 CUBURBVEYLWHKK-LBPRGKRZSA-N 303.233 3.273 10 10 DGCE CN1CCCc2cc([C@H](NN)c3cc(Cl)cs3)ccc21 2163106491 OCDNZGHHHLSGKT-HNNXBMFYSA-N 307.850 3.337 10 10 DGCE C[C@@H](N)c1ccc(N(C)[C@H]2COCCC2(F)F)c(Cl)c1 2168220886 QQGSKHAPBQJJOT-RNCFNFMXSA-N 304.768 3.220 10 10 DGCE Nc1ccc(COc2cc(C(F)(F)F)nc(Cl)n2)cc1 2184659309 JVLASXZTJSUBON-UHFFFAOYSA-N 303.671 3.310 10 10 DGCE CCOc1ccc(N(CCO)Cc2ccccc2)cc1OCC 2210788482 VEBLKMXODCNGHH-UHFFFAOYSA-N 315.413 3.483 10 10 DGCE CCOC(=O)[C@@H]1CCC[C@@H](NCc2cnc(SC)s2)C1 2284689533 OCLQPUDNMZGRJV-GHMZBOCLSA-N 314.476 3.077 10 10 DGCE CN(C(=O)C=Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)cn1 2297517000 HSNRRNREOPQKQL-UHFFFAOYSA-N 317.732 3.319 10 10 DGCE CN(C)c1ccc([C@@H](N)c2cnsc2Br)cc1 2300334268 QBOMQFUHQAUPQI-LLVKDONJSA-N 312.236 3.020 10 10 DGCE Brc1cc(N2CCSC2)ccc1CNC1CC1 2303469371 FSJPOILTDOINDU-UHFFFAOYSA-N 313.264 3.212 10 10 DGCE C[C@H]1C[C@@H](c2cccnc2)N(C(=O)C=Cc2ccc(O)c(O)c2)C1 2308699081 UEYZXSBWAZRAHW-BBRMVZONSA-N 324.380 3.116 10 10 DGCE COc1cccc(C=C2SC(N3CCCCC3)=NC2=O)c1F 2312542557 ZGWAXUQXXKWQPW-UHFFFAOYSA-N 320.389 3.291 10 10 DGCE CCCOc1ccc(C=C2C(=O)N(CC)N=C2C)cc1OCC 2332113902 WMVWVGCPYDAKGT-UHFFFAOYSA-N 316.401 3.496 10 10 DGCE CN(Cc1ccccc1O)C(=O)C[C@@H]1CCOc2ccccc21 117971112 RYDLQLPXJGCTNR-AWEZNQCLSA-N 311.381 3.307 10 10 DGCE CCC(CC)NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 53955429 DQUXSRPCKOEHOJ-MRXNPFEDSA-N 320.433 3.271 10 10 DGCE CC[C@@H](C(=O)NCc1ccc(N(C)C)cc1)c1c(C)noc1C 129494858 VCXGEAOGCRQCQF-MRXNPFEDSA-N 315.417 3.167 10 10 DGCE C[C@H](NCCN(C)Cc1ccccc1)c1ccc(F)c(F)c1O 191215519 LVBGEMSYMTXDBB-ZDUSSCGKSA-N 320.383 3.453 10 10 DGCE C=Cn1cc(/C=C2/CCn3c2nc2sc(C)c(C)c2c3=O)cn1 193125811 SMQGGPRVVLFUNI-QPEQYQDCSA-N 324.409 3.316 10 10 DGCE Cc1cccc(CN[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c1O 381346082 GQAAMONNQUKTLI-CHWSQXEVSA-N 308.422 3.092 10 10 DGCE CC(C)(C)OC(=O)N1CCN(c2ccc(N)cc2)CC1(C)C 143665693 QUKABSSPBMVPRN-UHFFFAOYSA-N 305.422 3.105 10 10 DGCE NCc1cc(F)c(N2CCCCCC2)cc1Br 383922452 ZXSXAOBODLGVBL-UHFFFAOYSA-N 301.203 3.427 10 10 DGCE Cc1c(/C=C\C(=O)N2CCCSc3ccccc32)cnn1C 255052161 IZEMTKQWGGDIBY-HJWRWDBZSA-N 313.426 3.271 10 10 DGCE C[C@@H](O)c1ccc(N(C)Cc2cnn(C)c2Cl)cc1Cl 2166119097 XPYFZVUOCXTPFG-SECBINFHSA-N 314.216 3.417 10 10 DGCE COc1cccc(CN2CCn3c(cc4ccccc43)C2)c1O 812800428 VFQVQMALJIGEFV-UHFFFAOYSA-N 308.381 3.371 10 10 DGCE Cc1ccc(C(=O)Cn2ccc(-c3cccnc3)cc2=O)cc1C 821185075 FWABKWAIQLUCCM-UHFFFAOYSA-N 318.376 3.410 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@@]2(CC=CCC2)C1 588404407 ARYXHEQSLOZRDW-QJSCKGPTSA-N 313.397 3.460 10 10 DGCE CN(C)c1ccc(/C=C\CNC[C@@H](C(=O)O)c2ccccc2)cc1 904057748 AMMFBTBASQSKMA-LIXSYLKWSA-N 324.424 3.224 10 10 DGCE C/C(=C/c1ccccn1)C(=O)NCCCSc1nccs1 847488095 SUHXMUALIYEMFX-QXMHVHEDSA-N 319.455 3.240 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCC[Si](C)(C)C 847696906 XDSPKNXHYBWAMU-GFCCVEGCSA-N 309.482 3.263 10 10 DGCE COc1cc(Cl)cc(CNCC2(N)CCCCCC2)c1O 841042047 DFZPCVFYTZQCQN-UHFFFAOYSA-N 312.841 3.196 10 10 DGCE Cc1c(/C=C/C(=O)N2CCCSc3ccccc32)cnn1C 156907319 IZEMTKQWGGDIBY-CMDGGOBGSA-N 313.426 3.271 10 10 DGCE CCC[C@@H](C)CC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855229339 ITIVAIHTRBYVGO-HUUCEWRRSA-N 304.434 3.216 10 10 DGCE CN(C)c1ccc(/C=C/CNC[C@@H]2CCCN2CC(F)F)cc1 858231745 PJQXBXKGUXNOFT-RCFWFJCLSA-N 323.431 3.085 10 10 DGCE O=C(NCc1cc(Br)ccc1O)[C@@H]1CCC[C@H]2C[C@@H]21 854442931 ZJCJFIOQJKLGJK-BIMULSAOSA-N 324.218 3.207 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)c1coc(C2CCC2)n1 862026378 MKGBFQBIQIHQGF-UHFFFAOYSA-N 323.352 3.126 10 10 DGCE Cc1ccc(/C=C/C(=O)N2C[C@H](C)Oc3c(F)cccc32)cn1 775423363 YQAHGYXKVUZTAF-XEHSLEBBSA-N 312.344 3.356 10 10 DGCE Cc1nc(CC(C)C)oc1C(=O)N1Cc2cccc(O)c2C1 871205307 YSMIMMFCZZVUAX-UHFFFAOYSA-N 300.358 3.043 10 10 DGCE Cc1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)c(C)c1O 1137397503 CCHNJPFYPJXJJX-UHFFFAOYSA-N 312.329 3.424 10 10 DGCE CCCNc1cc(Sc2nccs2)nc(COCC)n1 132647231 KUDWSWYUNAJWRA-UHFFFAOYSA-N 310.448 3.443 10 10 DGCE COc1ccc(O)c(CN[C@@H]2CCc3cc(F)c(OC)cc32)c1 798929841 DFXWHWVGAKQBET-MRXNPFEDSA-N 317.360 3.326 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1C[C@@]12CCCOC2 1896386915 HGRABZLSXCTIRI-TZMCWYRMSA-N 302.201 3.358 10 10 DGCE N[C@@H]1CC[C@@H]2CN(c3ccc(OCc4ccccc4)cc3)C[C@@H]21 1899859917 LPKBSKIUYLSANN-LSTHTHJFSA-N 308.425 3.439 10 10 DGCE Cc1cc(CN)ccc1N1CCN(Cc2ccccc2)[C@H](C)C1 396327183 DLCMMLXJSZJKRZ-QGZVFWFLSA-N 309.457 3.164 10 10 DGCE C[C@@H](c1cc(Br)ccc1O)N1C[C@H](F)[C@H](F)C1 714558853 QLVIMZVOFUAEKN-BKDNQFJXSA-N 306.150 3.208 10 10 DGCE C[C@@H](Nc1c(N)cccc1Br)C1CCN(C)CC1 697450748 HGQKKRZCUPWAAS-SNVBAGLBSA-N 312.255 3.174 10 10 DGCE Cc1cc(C(=O)NCc2ccc(O)cc2O)c2nccc(C)c2c1 1451765824 HYZNSOBUEALHMD-UHFFFAOYSA-N 322.364 3.193 10 10 DGCE O=C(NCc1cc(O)ccc1O)[C@H]1CCC[C@H]1c1ccccc1 1637126002 JXODZZYEPXKULR-IRXDYDNUSA-N 311.381 3.298 10 10 DGCE C[C@@H](Oc1cccc(F)c1)C(=O)NCc1cc(Cl)ccc1O 1644590825 QMNNJKQZTBPQNO-SNVBAGLBSA-N 323.751 3.268 10 10 DGCE O=C(CCc1cccc(F)c1F)N1Cc2cccc(O)c2C1 1650674533 GNLCOYRXKWXFLN-UHFFFAOYSA-N 303.308 3.145 10 10 DGCE Oc1cc2c(cc1CN1CC[C@@H](Oc3ccncc3)C1)CCCC2 160404417 CESFYFNDJKFZFR-LJQANCHMSA-N 324.424 3.319 10 10 DGCE CNc1cc(C(=O)NC2CC2)c(Nc2ccccc2)c(F)c1N 1858180026 VONSEGMNUNGIRJ-UHFFFAOYSA-N 314.364 3.085 10 10 DGCE C[C@@H](N)c1ccc(N(C)CCOC2CC2)cc1Br 1914547172 FLTUOLKUOXMWEU-SNVBAGLBSA-N 313.239 3.084 10 10 DGCE CCN(CCSC)c1ccc(CO)cc1Br 1917039940 PIXRTCYAYLWYSA-UHFFFAOYSA-N 304.253 3.131 10 10 DGCE COc1ccc(N(C)Cc2noc(C)c2Br)cc1 1968598980 GQPOGYDBODEQLB-UHFFFAOYSA-N 311.179 3.391 10 10 DGCE C[C@H]1CSCCCN1c1ccc(CN)cc1Br 1940236262 NVYGRZFXOOAUSF-JTQLQIEISA-N 315.280 3.240 10 10 DGCE CCOC(=O)[C@](C)(N)c1c(O)c(Cl)cc(Cl)c1Cl 1951729722 DTUVRSHZIKYZFN-LLVKDONJSA-N 312.580 3.089 10 10 DGCE C[C@@H]1OCC[C@H]1CCNCc1ccc(Br)cc1O 1972143523 BQXYHVLNUIFZCB-WDEREUQCSA-N 314.223 3.059 10 10 DGCE CC(C)(C)OC(=O)NC1(CCNCc2ccc(F)cc2O)CC1 1972549425 ZXUJTMCUFLQCPN-UHFFFAOYSA-N 324.396 3.068 10 10 DGCE CO[C@H]1C[C@@H](CCNCc2c(O)cccc2Br)C1 1974350655 UTUFKPBNIXBNRC-PHIMTYICSA-N 314.223 3.059 10 10 DGCE C[C@@H]1C[C@@H]([C@H](N)c2ccc(N(C)C)cc2)N1C(=O)OC(C)(C)C 1977946319 VDXKJZZYEOJMKG-UHOFOFEASA-N 319.449 3.150 10 10 DGCE C[C@H](CO)N(Cc1ccccc1)c1ccc2c(c1)CCC[C@H]2O 1986601656 WOMPHINJYUGVGC-FOIQADDNSA-N 311.425 3.444 10 10 DGCE C[C@H]1[C@@H](C)[C@@H]1CNCc1cc(Br)cc(F)c1O 1998466106 GTHDFMYZEPYAFU-VROVMSAKSA-N 302.187 3.285 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)cc1 2014344085 WEOGTCYZGGPIEU-MMOPVJDHSA-N 322.452 3.451 10 10 DGCE OCc1ccc(N2CC[C@H]3[C@@H](C2)C3(F)F)cc1Br 2034636399 OKLXJKFEVNAZHA-WDEREUQCSA-N 318.161 3.033 10 10 DGCE CCCOC1CN(c2ccc([C@H](C)N)cc2Br)C1 2040865408 VGZFKZWUKBRBDF-JTQLQIEISA-N 313.239 3.084 10 10 DGCE CCOCCCN(C)c1ccc(CNC)cc1Br 382792500 HRZYOJGPCGDGFR-UHFFFAOYSA-N 315.255 3.031 10 10 DGCE CNCc1ccc(N2CC[C@@H](SC)C2)cc1Br 395065507 KRFANGPVKHXJBK-GFCCVEGCSA-N 315.280 3.110 10 10 DGCE C[C@@H](O)C[C@@H]1CCCCN1c1cc(Cl)c(CN)cc1F 2177385903 SNYBPRULLYOIIC-PWSUYJOCSA-N 300.805 3.068 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1CCn2nccc2C1 2165196151 AYNGKVNFHOXOIA-LLVKDONJSA-N 312.200 3.000 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)c2cc(C3CC3)ccn2)c1 2063692673 IKLFCHNQVZOEGG-NSHDSACASA-N 312.369 3.164 10 10 DGCE COC(=O)c1cc(C2CC2)nn1[C@@H](C)c1cc(C)c(C)cc1O 2069960645 XSHWIHFBUMLYMX-LBPRGKRZSA-N 314.385 3.479 10 10 DGCE CC[C@@H](c1cc(C)c(C)cc1O)n1nc(C2CC2)c(CN)c1N 2079977564 OEKPGXNNDASVMK-HNNXBMFYSA-N 314.433 3.123 10 10 DGCE CSc1ncc(CNCc2nnc(C(C)C)s2)s1 2208566279 BPQMXZRNVXSQCY-UHFFFAOYSA-N 300.478 3.130 10 10 DGCE CCCNCc1cnc(Sc2nc3ncccc3o2)s1 2234022957 RUCDJYWLWCHXRG-UHFFFAOYSA-N 306.416 3.330 10 10 DGCE CSc1ncc(CN=c2nc(C(F)(F)F)cc(C)[nH]2)s1 2284506431 FJCNWMIBVMMVIL-UHFFFAOYSA-N 320.365 3.016 10 10 DGCE CSc1ncc(CNC[C@H](N)C2CCC(F)(F)CC2)s1 2284723992 HLTJQPKQBNKJGO-NSHDSACASA-N 321.462 3.107 10 10 DGCE CN(Cc1ccccc1)C1CN(c2ccc(CO)c(C3CC3)c2)C1 2301283893 VHPSTPLJVPXCHK-UHFFFAOYSA-N 322.452 3.377 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@@H]3C[C@H]2[C@H]2C[C@@H]23)c(Br)c1 2308716386 QBRVUQDYADKYDW-VXIBMCHESA-N 308.219 3.347 10 10 DGCE NCc1ccc(N2CC=C(C(F)(F)F)C2)cc1Br 2318085311 NTBRSWSKIKHFMW-UHFFFAOYSA-N 321.140 3.217 10 10 DGCE COC1(CN(C)Cc2ccc(C)c(Br)c2O)CC1 2327604735 AANPDXMAIHIUCJ-UHFFFAOYSA-N 314.223 3.074 10 10 DGCE CSc1ccc(OCC(=O)N(C)c2ccc(N)cc2)cc1 110980967 OEKAJXFWYGGQRK-UHFFFAOYSA-N 302.399 3.033 10 10 DGCE Oc1c(F)cc(F)cc1CNc1cncc(Br)c1 117862683 ARUWIJKSEDMCPD-UHFFFAOYSA-N 315.117 3.440 10 10 DGCE C[C@@H](NCCc1ccsc1)c1ccc(N2CCOCC2)cc1 177726488 SPIGTSKUZLNPFB-OAHLLOKOSA-N 316.470 3.478 10 10 DGCE C[C@H](N)c1ccc(N2CC[C@H](N3CCCCC3)C2)cc1Cl 78928008 SRHOVVKEUVWLGN-ZFWWWQNUSA-N 307.869 3.424 10 10 DGCE Cc1ccc([C@@H](C)NCCCc2c(C)nn(C)c2C)c(O)c1 186227931 PXHQUBWCUPYUCX-CYBMUJFWSA-N 301.434 3.334 10 10 DGCE CN(Cc1noc(Cc2ccccc2)n1)c1ccc2c(c1)OCO2 121271496 GDHNXKGNBZBXHV-UHFFFAOYSA-N 323.352 3.026 10 10 DGCE O=[N+]([O-])c1ccc(O)c(CNC23CC4CC(CC(C4)C2)C3)c1 180045732 TYDVHBHOXBUAPW-UHFFFAOYSA-N 302.374 3.359 10 10 DGCE N[C@H](c1ccc(Cl)c(Br)c1O)C(F)(F)F 95706907 QWJWNPIDCVPDDW-SSDOTTSWSA-N 304.493 3.370 10 10 DGCE C[C@@H](NCC1(C2CC2)CC1)c1ccc(N2CCC(O)CC2)cc1 90772676 ZAYBDUGPWMJXCC-OAHLLOKOSA-N 314.473 3.489 10 10 DGCE Cc1cc(C(=O)NC2CCC(O)CC2)c(C)n1-c1ccccc1 248120137 UVUIITWMRUTLKM-UHFFFAOYSA-N 312.413 3.127 10 10 DGCE Cc1ccc(C(=O)N2CC3C[C@H]4CC2C[C@@H](C3)C4)c(O)c1O 272741988 IQCZWFZZZKZQJE-VTXSZYRJSA-N 301.386 3.057 10 10 DGCE Cc1ccc(O)c(CN2CC[C@H](OCc3c(C)noc3C)C2)c1 377668467 BUOLNKRLSPXCNX-INIZCTEOSA-N 316.401 3.097 10 10 DGCE CC[C@H](N[C@@H]1CCc2nc[nH]c2C1)c1cccc(Cl)c1O 377799269 SNACTOYNDQYKRS-MFKMUULPSA-N 305.809 3.367 10 10 DGCE CC[C@H](N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)c1cccc(Cl)c1O 806148757 YAQMGBGJDIKWKY-IDTSFGKNSA-N 322.836 3.096 10 10 DGCE N[C@H](CF)c1c(C(F)(F)F)ccc(Br)c1O 396475589 WHQXQNLRVAZPGY-ZCFIWIBFSA-N 302.065 3.143 10 10 DGCE CCOc1cccc(CNC[C@@H]2CC23CCSCC3)c1O 817411243 QDNPXDLYRWPHLY-AWEZNQCLSA-N 307.459 3.414 10 10 DGCE CC(C)C[C@H](N)[C@H](N)c1ccc(OCc2ccccc2)cc1O 713839721 PJQLCYOFKHNJFE-PKOBYXMFSA-N 314.429 3.344 10 10 DGCE COc1cccc(-c2ccn(Cc3ccc(N)cc3)c(=O)c2)c1 821180781 NGVCYLMVAUECKN-UHFFFAOYSA-N 306.365 3.154 10 10 DGCE CC[C@@](C)(C(=O)OC)N(Cc1cc(C)ccc1O)CC1CC1 822503542 IHWYNCNYAVTNSX-SFHVURJKSA-N 305.418 3.254 10 10 DGCE CN(C)c1ccc(/C=C/CNC[C@@H](c2ccco2)N(C)C)cc1 835034920 ZVSDEMVDUQGJIX-FZMUQLTDSA-N 313.445 3.251 10 10 DGCE C[C@@H](NC/C=C/c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C 835044683 NDUJPBLULYVZJE-HSBSLETESA-N 304.434 3.086 10 10 DGCE C[C@@H]1C[C@H](N2CCCC2)CN1C/C=C/c1ccc(N(C)C)cc1 835054798 YQIUFRFGRBPGNF-CNTTWCMLSA-N 313.489 3.324 10 10 DGCE CN1CCC2(CCCN2C/C=C/c2ccc(N(C)C)cc2)CC1 835045395 LNDBQJDXJCTMEB-GQCTYLIASA-N 313.489 3.326 10 10 DGCE C[C@@H](CC(F)(F)F)C(=O)NCc1ccc(N(C)C)c(F)c1 837377592 LUSHYCQPSSKQBM-VIFPVBQESA-N 306.303 3.096 10 10 DGCE Oc1c(F)cc(Cl)cc1CN1CCCC[C@H]1[C@H]1CCNC1 841087480 OGGTZBSZPCRDKU-NHYWBVRUSA-N 312.816 3.149 10 10 DGCE Cc1cc(O)c(CNc2cc(C(=O)N(C)C)ccn2)c(Cl)c1 840883772 XOMPGCJIGBMMEY-UHFFFAOYSA-N 319.792 3.063 10 10 DGCE C[C@@]1(CCNC(=O)NCc2c(O)cccc2F)C[C@@]1(F)Cl 923067271 UNZIXCCVBFAOHI-KGLIPLIRSA-N 318.751 3.035 10 10 DGCE COc1ccc(N2CC[C@H](N[C@@H]3CC[C@H]3C3CCC3)C2)cc1 850488139 QKIAABOQFKMGCE-ZYSHUDEJSA-N 300.446 3.442 10 10 DGCE COc1cncc(CN2CCCc3cc(OC(F)F)ccc32)n1 859174178 VASKWGVAUJIJAX-UHFFFAOYSA-N 321.327 3.039 10 10 DGCE Oc1ccccc1CN(C[C@H]1C[C@@H]2C[C@@H]2C1)C[C@H]1CCCO1 851841367 PUKGCEFSOLFVSS-BZZMCLGOSA-N 301.430 3.419 10 10 DGCE CC[C@H](N[C@@H]1[C@@H]2C[C@H]3[C@H](CO[C@H]31)C2)c1ccc(N(C)C)cc1 866444497 INNONJYATOSIDZ-PVRJCICLSA-N 300.446 3.217 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCCC2(C)C)cc1 1130744528 CQQIZIVEWKBCBI-KRWDZBQOSA-N 318.461 3.416 10 10 DGCE COc1c(C(=O)N(C)Cc2ccccc2O)[nH]c2ccccc12 797190939 RCOQTOSFISEBLP-UHFFFAOYSA-N 310.353 3.154 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1ccc(C)c(C)c1 1140198786 SICJACZCVOFWES-UHFFFAOYSA-N 318.413 3.354 10 10 DGCE c1ccc(COc2ccc(N3CCC4(CC3)CNC4)cc2)cc1 1899866296 WRJATIHAVGALSA-UHFFFAOYSA-N 308.425 3.455 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)c1cccc2c1OCC2 1150385323 ADCQRMSTHPZUNX-UHFFFAOYSA-N 323.392 3.136 10 10 DGCE O=C(CCSc1ccc(F)cc1)NCc1c(O)cccc1F 1303877337 AXNOZRZOAQOWMQ-UHFFFAOYSA-N 323.364 3.469 10 10 DGCE CCO[C@@H](C(=O)NCc1cc(Cl)ccc1O)c1ccccc1 1300402272 XQVDPNUZDVUISP-MRXNPFEDSA-N 319.788 3.440 10 10 DGCE Cc1cccc(N2CCN(CCCc3ccc(N)cc3)CC2)c1 58267482 QWWDKPPLKXSLKX-UHFFFAOYSA-N 309.457 3.332 10 10 DGCE COc1ccc(CNC[C@@H](C)NC(=O)C[C@H](C)C2CC2)cc1C 1268674730 YOUWEHOGOOOVEO-DZGCQCFKSA-N 318.461 3.034 10 10 DGCE C[C@H](NCC1CCC2(CC1)OCCO2)c1cc(F)ccc1O 193377947 LGOJQTZURDVGQB-LBPRGKRZSA-N 309.381 3.115 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H]1[C@H]2CCC[C@H]21 1467516135 PKQHFTFUHJCMOM-HGKCTWBKSA-N 322.408 3.435 10 10 DGCE Cc1ccc(/C=C/C(=O)N(C)Cc2ccc(N(C)C)cc2)cn1 1463771564 ZSONMAKRVGHJQS-FMIVXFBMSA-N 309.413 3.128 10 10 DGCE COc1ccc([C@H](CO)N=[N+]=[N-])c(NC(=O)OC(C)(C)C)c1 1535980611 SHDFINQXEQHJPJ-LBPRGKRZSA-N 308.338 3.386 10 10 DGCE CCCC(=O)N(C)[C@H](CNCc1ccc(OC)c(C)c1)C1CC1 1700717233 OVAVOWXFGNGHPO-QGZVFWFLSA-N 318.461 3.130 10 10 DGCE Cc1cc(O)nc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)c1 1627174772 QBIJBRQKSQNEAH-UHFFFAOYSA-N 322.368 3.150 10 10 DGCE C=C/C=C\CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 1632399468 VFRRQFXGFJANID-MJSXRHKHSA-N 301.386 3.032 10 10 DGCE C[C@H](NC(=O)CCOc1ccc(F)cc1)c1ccccc1O 1643742237 VCJCEDAQYKLSQD-LBPRGKRZSA-N 303.333 3.178 10 10 DGCE COc1cc(C)cc(CN2CCC(CN3CCCC3)CC2)c1O 164357037 XHADBRCINOWVEM-UHFFFAOYSA-N 318.461 3.017 10 10 DGCE Cc1nc(Cl)nc(Cl)c1CCN1CCC[C@H](N=[N+]=[N-])C1 1912149949 NLZCYAFIHBYNLE-VIFPVBQESA-N 315.208 3.409 10 10 DGCE CN[C@H](c1ccccc1O)[C@@H]1C[C@H](C)N1C(=O)OC(C)(C)C 1913601223 JAJCZJWBXGEQQZ-CORIIIEPSA-N 306.406 3.051 10 10 DGCE CC(C)(O)CCN(Cc1ccccc1)Cc1cc(N)ccc1O 1915738911 GXYVNYLOSCXSCX-UHFFFAOYSA-N 314.429 3.138 10 10 DGCE C[C@H]1CCN(c2ccc(CN)c(Br)c2)C[C@@H]1F 1946916350 CBTOIZASKWSGBV-ZANVPECISA-N 301.203 3.092 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H](OCOc2ccc(N)cc2)C1 1952516751 LSCMBGWLWBNKOD-OAHLLOKOSA-N 322.405 3.021 10 10 DGCE CC(C)(C)OC(=O)N1CCCC[C@@H]2[C@H](Nc3ccccc3N)[C@@H]21 1977667180 WRRLWWBQMBHNMG-UHOFOFEASA-N 317.433 3.469 10 10 DGCE C[C@H]1C[C@@](N)(c2ccc(N(C)C)cc2)CN1Cc1ccccc1 1977956883 BGNYZNRSNUFZKR-JXFKEZNVSA-N 309.457 3.201 10 10 DGCE COc1ccc(N(Cc2ccccc2)[C@H](C)C(C)(C)O)c(N)c1 1980733046 JQDRUWBOTSPZGD-CQSZACIVSA-N 314.429 3.443 10 10 DGCE CCC[C@@H](CN)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 1990495707 UZOZNYPEUQIWFV-INIZCTEOSA-N 321.465 3.275 10 10 DGCE CNCc1ccc(N2C[C@H]3CC[C@@]2(F)C3)c(Br)c1 2030244115 DGHSQGLMFSCROD-FZMZJTMJSA-N 313.214 3.454 10 10 DGCE C[C@@H](C(=O)Nc1ccc(O)c(O)c1)[C@H]1OCCc2sccc21 2062404081 HPZOWSLKSBBZMA-RFAUZJTJSA-N 319.382 3.048 10 10 DGCE COc1ccccc1C[C@@H](C)CC(=O)Nc1ccc(O)c(O)c1 2063250227 NTQAGDRPYTXUSW-GFCCVEGCSA-N 315.369 3.314 10 10 DGCE CNCc1cc(-c2ccccc2)nn1Cc1cccc(F)c1O 2070084725 ZNNYWDABMYESFD-UHFFFAOYSA-N 311.360 3.163 10 10 DGCE Cc1cc(O)c([C@H](C)n2nc(C(C)C)c(CO)c2N)cc1C 2079972269 SDNSHECXQQFJGM-LBPRGKRZSA-N 303.406 3.013 10 10 DGCE CO[C@H]1CC[C@@H](NCc2cccc(Br)c2O)CC1 2042525932 ILYCLIIQAKDDFV-TXEJJXNPSA-N 314.223 3.202 10 10 DGCE CC[C@@](C)(CN(C)c1ccc(CN)c(Br)c1)OC 2066250911 XAUWPXGHQZHICG-AWEZNQCLSA-N 315.255 3.159 10 10 DGCE CC[C@@]1(C)C[C@@H](NCc2cccc(Br)c2O)CO1 2069117216 JLCLOCRMOPOPGC-RISCZKNCSA-N 314.223 3.202 10 10 DGCE Nc1ccc(C[C@@H](O)c2ccc(F)cc2Br)cc1 2077804629 CBNSWBUKPUXSFX-CQSZACIVSA-N 310.166 3.447 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)c2c(Cl)ncnc2Cl)CC1 2203183558 ZNTOHPARFCIGOU-ZETCQYMHSA-N 315.164 3.088 10 10 DGCE COc1c(C(=O)NCc2cccc(C)c2O)csc1Cl 2284265351 HIPUBYYYOFREEV-UHFFFAOYSA-N 311.790 3.354 10 10 DGCE Cc1cc(F)cc2c1N(C(=O)C=Cc1cnn(C)c1C)CCC2 2304174237 LSHADIFXSCWOLO-UHFFFAOYSA-N 313.376 3.169 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@@H]3C[C@H]2[C@H]2C[C@@H]23)cc1Br 2308715676 AGOHZSALKXPWCT-UODPKLMKSA-N 308.219 3.347 10 10 DGCE CN[C@@H](C)c1ccc(N(CCF)CCF)c(Br)c1 2317587794 AVLCARTXPONICL-JTQLQIEISA-N 321.209 3.475 10 10 DGCE CN[C@@H]1CCN(c2ccc(OC)c(Br)c2)[C@@H](C)C1 88320428 MSIGWHURSTWUCX-WDEREUQCSA-N 313.239 3.034 10 10 DGCE CNCc1cc(F)c(N2CCC[C@@H](C(F)(F)F)C2)c(F)c1 88432478 KEGASDDGOKKCDT-SNVBAGLBSA-N 308.294 3.463 10 10 DGCE CC(C)(C)OC(=O)NC[C@@](C)(NCc1ccccc1O)C1CC1 109844841 LADKBICXMKZTOI-GOSISDBHSA-N 320.433 3.175 10 10 DGCE Cc1cccc(NC(=O)c2cccc(O)c2O)c1Br 126182769 SYPCGLSXAPSWHC-UHFFFAOYSA-N 322.158 3.421 10 10 DGCE CCCOc1ccc(CN[C@@H](C)C[C@H](O)c2ccco2)c(O)c1 130399444 VHTLQNQVGWINCS-GUYCJALGSA-N 319.401 3.376 10 10 DGCE COC(=O)c1cc(CN(C)c2ccc(OC)c(OC)c2)c(C)o1 143522971 XBMSKTLMJQNSKQ-UHFFFAOYSA-N 319.357 3.028 10 10 DGCE COc1ccc(N(C)Cc2ccc(C(=N)N)cc2Cl)cc1 163347368 FSTCJJQMQRUSCD-UHFFFAOYSA-N 303.793 3.269 10 10 DGCE COCCNCc1ccc(N(C)Cc2ccoc2)c(Cl)c1 163976486 LMJSZZCYCAVNEA-UHFFFAOYSA-N 308.809 3.305 10 10 DGCE CC(C)CNCc1ccc(N2C[C@@H]3CC[C@H](C2)O3)c(Cl)c1 164140227 MQATYJOOXMNNFB-GASCZTMLSA-N 308.853 3.453 10 10 DGCE Cc1ccc(O)c([C@@H](C)N[C@H]2CCN(c3ccccc3)C2=O)c1 185812772 KAACORXIBABBHC-PBHICJAKSA-N 310.397 3.157 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc2ncccc12 186435926 ZZEYPYXDCGBFQW-GFCCVEGCSA-N 322.364 3.007 10 10 DGCE COc1ccc(OCCN[C@H](C)c2ccc(F)c(F)c2O)cc1 191189258 OIYHJWFVBNWWNB-LLVKDONJSA-N 323.339 3.409 10 10 DGCE CC(=O)c1cc(F)cc(CN2CC[C@@]3(C)[C@H](C2)C3(F)F)c1O 298225117 GPVJPRPTACTATC-ZFWWWQNUSA-N 313.319 3.211 10 10 DGCE O=Cc1c(I)ccc2c(O)csc12 307471083 QTKZMPVCGCDKCD-UHFFFAOYSA-N 304.108 3.024 10 10 DGCE CC(C)n1ncc2c1C[C@@H](NCc1cc(Cl)ccc1O)CC2 372760738 CEWUEIDCPOHACZ-HNNXBMFYSA-N 319.836 3.470 10 10 DGCE c1ncn(-c2ccc(NCc3ccc(N4CCCC4)cc3)cc2)n1 378948532 FMBXCZBGLGKKTJ-UHFFFAOYSA-N 319.412 3.480 10 10 DGCE C[C@H](N)c1ccc(N(C)[C@@H](C)C(C)(C)O)cc1Br 382810011 PBJQXIPSGUNNJO-UWVGGRQHSA-N 315.255 3.064 10 10 DGCE COc1ccc2c(c1)c1c(n2CC(=O)N2CC(C)C2)CCCC1 651896958 JBCWQYYULZSDQN-UHFFFAOYSA-N 312.413 3.007 10 10 DGCE CN(Cc1c(O)cccc1Br)C[C@]1(C)CCOC1 687521544 GQFYPJWCLMGIJZ-AWEZNQCLSA-N 314.223 3.013 10 10 DGCE COc1ccc(N(CC(F)(F)F)CC(F)(F)F)c(N)c1 719441168 AILTVSMMAPUJPF-UHFFFAOYSA-N 302.218 3.208 10 10 DGCE COc1cccc([C@@H]2C[C@@H]2C(=O)NCc2ccc(N(C)C)cc2)c1 730162381 RYLPCGRIKRRSOW-OALUTQOASA-N 324.424 3.181 10 10 DGCE CCN(C)c1ccc(CN2CC[C@H](C(=O)OC(C)(C)C)C2)cc1 773756821 VXLKSOHMSCEOMD-INIZCTEOSA-N 318.461 3.306 10 10 DGCE COc1ccc(N2CCCN(C[C@@H]3CCO[C@@H](C)C3)CC2)cc1 778998071 GXXPZDWEYVEEKX-DLBZAZTESA-N 318.461 3.022 10 10 DGCE C[C@H](NC1(C(=O)Nc2ccccc2)CC1)c1ccc(F)cc1O 779082176 JVHABXLOSNWMBE-LBPRGKRZSA-N 314.360 3.353 10 10 DGCE CO[C@H]1C[C@@H](N(C)C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 804303014 DBYZSAHGQABROU-HDICACEKSA-N 312.413 3.344 10 10 DGCE Oc1ccc2c(c1)CN(Cc1cc(Cl)ccc1O)CCO2 827658108 VJYXRGAJWZPAMF-UHFFFAOYSA-N 305.761 3.146 10 10 DGCE C[C@H](NC/C=C/c1ccc(N(C)C)cc1)[C@H](O)Cc1ccccc1 835040763 GWDVLUPFXYYQRS-KWOXBMRISA-N 324.468 3.348 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCOCC3(CCC3)C2)cc1 835048148 MIOZPVLBXIMLKH-HYXAFXHYSA-N 300.446 3.268 10 10 DGCE C[C@@H](CC(F)(F)F)C(=O)NCCCSc1nccs1 837415114 WDIXBPIMEMEHBP-QMMMGPOBSA-N 312.382 3.330 10 10 DGCE Cc1cc(O)c(CN2C[C@]3(CCCO3)[C@@H]2C2CC2)c(Cl)c1 840948960 KEESNJOCOFMNKF-DLBZAZTESA-N 307.821 3.497 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)NCC1(C(F)(F)F)CC1 845192352 DQQNZNVCXDLXSS-UHFFFAOYSA-N 322.714 3.187 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCC(C3(O)CC3)CC2)cc1 846007375 GUBUKRTVWLCPGP-ONEGZZNKSA-N 300.446 3.003 10 10 DGCE CC(=O)[C@@H](C)CCCCC(=O)NCc1cc(Cl)ccc1O 846477925 XRLNMLLJCWFYFB-NSHDSACASA-N 311.809 3.447 10 10 DGCE C/C(=C/c1ccccn1)C(=O)NCc1ccc2c(c1)CCCN2C 846843190 MSFFKTPWSPIQMX-QINSGFPZSA-N 321.424 3.184 10 10 DGCE CCC[C@@H](C)[C@@H](CO)NCc1c(O)cccc1Br 858184616 NJFDZCIVKOMGNK-ZWNOBZJWSA-N 316.239 3.041 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC(C)(F)C1 861434437 MKSPUCWQUUBWQZ-UHFFFAOYSA-N 314.360 3.091 10 10 DGCE COc1cccc(CN2CCC[C@@]2(C)C(=O)OC(C)(C)C)c1O 895408504 CXKJCZQYQUUGAZ-SFHVURJKSA-N 321.417 3.097 10 10 DGCE CC[C@@H](CSC)NC(=O)c1cc2cc(O)c(O)cc2s1 897307061 GUICBRZJNALFSV-VIFPVBQESA-N 311.428 3.184 10 10 DGCE C[C@@H](NC1CC(CC(N)=O)C1)c1cc(Cl)c(Cl)cc1O 903259325 HSGUOJKBDWTKQM-AFPNSQJFSA-N 317.216 3.004 10 10 DGCE CCOc1ccc([C@H]2NC(=O)c3ccc(Cl)cc3N2)c(O)c1 914796278 UVTAVATXYMBTKZ-OAHLLOKOSA-N 318.760 3.298 10 10 DGCE Oc1ccc(Cl)c(F)c1CN[C@H](C1CC1)[C@@H]1CCCOC1 922895687 GEHDRYDLITXXTB-BDJLRTHQSA-N 313.800 3.480 10 10 DGCE CCC[C@@](C)(CO)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 1137870677 YHYIJUAAQOOSQP-IBGZPJMESA-N 314.429 3.375 10 10 DGCE O=C(NCc1cccc(Cl)c1O)N[C@H]1C[C@H]1c1ccccc1 1312615304 HRELDZYNYVIQPH-ZFWWWQNUSA-N 316.788 3.401 10 10 DGCE CCC[C@@H]1C[C@H]1C(=O)NC[C@@H](C)NCc1ccc(OC)c(C)c1 1317263371 CFNVMDHXVJXLKF-DJIMGWMZSA-N 318.461 3.034 10 10 DGCE CC[C@H](SC)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1352615963 VFHVKRHRRCSRID-INIZCTEOSA-N 306.475 3.387 10 10 DGCE C[C@H](Cc1ccco1)NC(=O)c1cc2cc(O)c(O)cc2s1 1540739596 KZTYBNGUDCYUIN-SECBINFHSA-N 317.366 3.267 10 10 DGCE Cc1ccccc1-n1c(C)cc(C(=O)N[C@H]2COC[C@@H]2C)c1C 1558473887 PONODVCLPGLTID-GUYCJALGSA-N 312.413 3.167 10 10 DGCE CC(C)(C)Cc1ncc(C(=O)NCc2ccccc2O)s1 1622772871 LTPIYAFVRHNARQ-UHFFFAOYSA-N 304.415 3.367 10 10 DGCE COC[C@@H](CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(C)C 1681551016 BOOJHGHZEXKCBE-GDBMZVCRSA-N 321.465 3.031 10 10 DGCE CCOC(=O)N1CCN(/N=N/c2ccc(F)c(Cl)c2)CC1 1860481353 VCOOLHGHHFGVJK-WUKNDPDISA-N 314.748 3.252 10 10 DGCE O=C(O)C1CCN(/N=N/c2ccc(N3CCCCC3)cc2)CC1 1860486198 RLUXUXZDWIVMKJ-VHEBQXMUSA-N 316.405 3.472 10 10 DGCE CCn1nc(C)c(Br)c1CN(C)CCCN=[N+]=[N-] 1912143080 ALJJXNUEHMMKRB-UHFFFAOYSA-N 315.219 3.106 10 10 DGCE CN(CCN=[N+]=[N-])C(=O)c1cc(Br)ccc1Cl 1912172327 DHMFUPJFRSSACP-UHFFFAOYSA-N 317.574 3.485 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 1912201691 XVSAOMGXXPQDMS-JTQLQIEISA-N 314.798 3.051 10 10 DGCE CC[C@](C)(O)CN(CCc1ccc(N)cc1)Cc1ccccc1 1915164605 JFDKAEWXPLLAIS-FQEVSTJZSA-N 312.457 3.475 10 10 DGCE CCN(CC)c1ccc([C@@H](O)CNC(=O)OC(C)(C)C)cc1 1959560265 GRUHOMQTRPGXGZ-HNNXBMFYSA-N 308.422 3.091 10 10 DGCE CCN[C@H](c1ccc(N(C)C)cc1)[C@@H](C)NC(=O)OC(C)(C)C 1977944209 BWVOKORUYLRGFV-CJNGLKHVSA-N 321.465 3.316 10 10 DGCE CN[C@@H](c1ccc(N(C)C)cc1)C(C)(C)NC(=O)OC(C)(C)C 1977945278 NBMIRLFLAIWCOB-HNNXBMFYSA-N 321.465 3.316 10 10 DGCE COc1ccc(N(C)[C@H](C)CCNC(=O)OC(C)(C)C)c(N)c1 1977961814 PDBROYUEWJBCBX-GFCCVEGCSA-N 323.437 3.017 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(CCCCN=[N+]=[N-])C[C@H]21 1982245224 DAQUTYJYDSHIQE-MGPQQGTHSA-N 323.441 3.312 10 10 DGCE C[C@H](CO)N(Cc1ccccc1)c1ccc2c(c1)CCC[C@@H]2O 1986601577 WOMPHINJYUGVGC-QRWLVFNGSA-N 311.425 3.444 10 10 DGCE NCc1cc(F)c(N2CCCC[C@@H](F)C2)cc1Br 2034861472 ZMZZZDDPALAMGW-SNVBAGLBSA-N 319.193 3.375 10 10 DGCE CNCc1ccc(N2CC3CC(F)(C3)C2)cc1Br 2045329710 QDDGUSBYABLNDD-UHFFFAOYSA-N 313.214 3.107 10 10 DGCE C[C@]1(C(F)F)CCN(c2ccc(CO)c(Br)c2)C1 2054240359 JLTCCDJCNMQIEA-ZDUSSCGKSA-N 320.177 3.423 10 10 DGCE CNCc1ccc(N2C[C@@H]3C[C@@H](C)[C@H]3C2)c(Br)c1 2085506786 HGKPYMGIJBPTPG-KGYLQXTDSA-N 309.251 3.261 10 10 DGCE Cc1ccnc(CNCc2cc(Br)ccc2O)c1C 2088892777 CJIGXNAJPXYSMU-UHFFFAOYSA-N 321.218 3.456 10 10 DGCE CN(C)c1ccc([C@@](C)(N)c2cncc(Br)c2)cc1 2106790528 JCGDOKHTADUDJT-OAHLLOKOSA-N 320.234 3.132 10 10 DGCE CCCN[C@]1(CO)C[C@H](Sc2nccs2)CC[C@@H]1C 2119121005 PQGDCMHHTHBNDY-SCRDCRAPSA-N 300.493 3.155 10 10 DGCE COC[C@@H]1CN(c2cc(Cl)c(CN)cc2F)CC1(C)C 2177392188 AJDCBIASKXSFJY-NSHDSACASA-N 300.805 3.047 10 10 DGCE C[C@H](N)c1cc(F)c(N(CC(F)F)CC(F)F)c(F)c1 2194706242 AYZDAHJUBAQHEF-LURJTMIESA-N 300.246 3.321 10 10 DGCE Cc1cccc(CN=c2[nH]c(Cl)nc3ccsc23)c1O 2204608103 ZWHSRROMFSWVOE-UHFFFAOYSA-N 305.790 3.393 10 10 DGCE CCC(CC)(CO)Sc1ncc(CNC2CCC2)s1 2231635875 VXVCTZKEUCROIK-UHFFFAOYSA-N 300.493 3.428 10 10 DGCE C[C@H](NC(=O)[C@@H](C)N(C)Cc1ccccc1O)c1ccccc1 109771813 VQEJIDZPNTYGKJ-LSDHHAIUSA-N 312.413 3.090 10 10 DGCE CNC(=O)c1cccc(N[C@H](C)c2ccc(F)c(F)c2O)c1 187885503 PYEFNYCFSDIJOH-SECBINFHSA-N 306.312 3.203 10 10 DGCE COc1ccc(O)c(CNC(=O)[C@@H]2C[C@@H]2c2ccccc2C)c1 77615028 SBKQZEJJFOFCJN-IAGOWNOFSA-N 311.381 3.129 10 10 DGCE CCCCOC[C@H](O)CN(c1ccc(OC)c(F)c1)C(C)C 195186870 LHCHCWMJVYANCP-OAHLLOKOSA-N 313.413 3.227 10 10 DGCE CCCN[C@@H]1C(=O)Nc2cc(N(C)C3CCC3)c(Cl)cc21 143839224 RPWZVONLOXTZOJ-HNNXBMFYSA-N 307.825 3.322 10 10 DGCE Cc1ccccc1C1=CCN(C(=O)c2ccc(C)c(O)c2O)C1 371677482 UJAREUCNXPFLMB-UHFFFAOYSA-N 309.365 3.254 10 10 DGCE Cc1cc(CN[C@H](c2ccccc2)c2nc[nH]n2)ccc1N(C)C 808707744 XQUHSKBAQLSTNH-GOSISDBHSA-N 321.428 3.058 10 10 DGCE Cc1cc(Br)cc(CN[C@H]2CSC2(C)C)c1O 802660951 AJSWTJFXURCXER-NSHDSACASA-N 316.264 3.447 10 10 DGCE C[C@H]1CO[C@@H](C(F)(F)F)CN1Cc1cc(Cl)ccc1O 809696751 QCUXRVBXXHLMBX-QPUJVOFHSA-N 309.715 3.197 10 10 DGCE Cc1cc(O)c(CN2CCC[C@H](C(=O)NC(C)C)C2)cc1Cl 827687055 KETPHAPNNZXZAZ-ZDUSSCGKSA-N 324.852 3.091 10 10 DGCE Cc1cc(C)cc(N(C)C(=O)c2c[nH]cc2-c2cnn(C)c2)c1 495121581 MWDOHOMQPYRLBB-UHFFFAOYSA-N 308.385 3.309 10 10 DGCE CC(C)[C@](C)(CC(=O)O)NC/C=C/c1ccc(N(C)C)cc1 901817748 MNOVBWQJPGHJRC-DKFQHHCZSA-N 304.434 3.245 10 10 DGCE C[C@@H](N[C@@H](CO)CCc1ccccc1)c1c(O)cccc1F 903292677 KCSZSICFMCAQDJ-UKRRQHHQSA-N 303.377 3.176 10 10 DGCE Cc1cc(N(C)C)ccc1CNC1CC(N2CCCCC2)C1 840940800 GFGKSJIPJKWLPW-UHFFFAOYSA-N 301.478 3.168 10 10 DGCE Oc1cc2c(cc1CNC1(c3ccccc3F)CCC1)OCO2 842746976 GWSIPNVCKTTXOZ-UHFFFAOYSA-N 315.344 3.429 10 10 DGCE Cc1cc(Cl)cc(CN2CC(CO)(c3ccccc3)C2)c1O 840969840 LDLGGPGQKKADDS-UHFFFAOYSA-N 317.816 3.100 10 10 DGCE CC[C@H]1COC[C@@H]1N(C)Cc1ccc(Br)cc1O 691678145 FWFONSXBVRLLPV-GWCFXTLKSA-N 314.223 3.012 10 10 DGCE COc1cc(CN2CC[C@@H]3COC[C@@H]3C2)c(O)c(C(C)(C)C)c1 853585924 LJTKOXVMFMVIIE-HIFRSBDPSA-N 319.445 3.167 10 10 DGCE CC1(C)CC[C@H]1C(=O)NCc1cc(Br)ccc1O 854442736 VXHMYWZXGNVCRP-NSHDSACASA-N 312.207 3.207 10 10 DGCE Cc1cccc(-n2c(C)cc(C(=O)N3CCC4(COC4)C3)c2C)c1 856195536 PVSNBSQHDHCLBN-UHFFFAOYSA-N 324.424 3.265 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)CC(C)C)C2)cc1 855228314 ZMWYXONZXRFUHG-GJZGRUSLSA-N 304.434 3.072 10 10 DGCE CC[C@@H](C)N(CC)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 854295791 CEVPMVACNGYJKK-CABCVRRESA-N 319.449 3.104 10 10 DGCE O=C(Nc1c(-c2ccccn2)nc2ccccn12)C1=COCCC1 751308441 XLVNRFZWFFGVDI-UHFFFAOYSA-N 320.352 3.029 10 10 DGCE COc1cccc([C@@H](C)NC[C@H]2c3ccccc3CN2C)c1O 866561899 AYTSOBBOVGTRFV-DYVFJYSZSA-N 312.413 3.238 10 10 DGCE C[C@@H](NC1(C(=O)Nc2ccccc2)CC1)c1cc(F)ccc1O 779081824 DFIXNBBKECMBMD-GFCCVEGCSA-N 314.360 3.353 10 10 DGCE CN[C@H](c1ccc(Br)c(OC)c1)c1ccccc1O 1876914654 HFJRALUYOYWEHB-OAHLLOKOSA-N 322.202 3.472 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)c2cc(C)c(C=O)s2)c1 1137473585 OKAQHRYJGZCZAH-JTQLQIEISA-N 319.382 3.074 10 10 DGCE CC(C)[C@H]1CC[C@@H]1NCc1ccc(N2CCOCC2)c(F)c1 796696545 TYMIGOURVOSYIN-WBVHZDCISA-N 306.425 3.187 10 10 DGCE CCN(CC)c1ccc(CN[C@@H]2CCN(C)[C@@H]3CCC[C@H]23)cc1 796694288 KZNPKPNRUFKILB-VAMGGRTRSA-N 315.505 3.495 10 10 DGCE CCN(C)c1ccc(CN[C@H](C(=O)OC)C2CCCCC2)cc1 1169056569 ROHJRDXIMXUUFT-SFHVURJKSA-N 318.461 3.354 10 10 DGCE C[C@H](c1cc(Br)ccc1O)N1C[C@@H](F)[C@H](F)C1 714558852 QLVIMZVOFUAEKN-AVPPRXQKSA-N 306.150 3.208 10 10 DGCE CCCN[C@@]1(C(=O)O)CCC[C@H]1CCSc1nccs1 93629927 DULJNWJWGFEMRF-FZMZJTMJSA-N 314.476 3.248 10 10 DGCE Cc1cc(CC(=O)N2CCSCC2)c(C)n1-c1ccccc1 1441592512 NPNNIQINFDHIBT-UHFFFAOYSA-N 314.454 3.212 10 10 DGCE CCC1(C(=O)N[C@H](C)[C@H](C)NCc2ccc(OC)c(C)c2)CC1 1282184379 JDWOUNFKIHNGMM-LSDHHAIUSA-N 318.461 3.177 10 10 DGCE CC(C)NC(=O)Nc1ccccc1NC(=O)c1cc(O)cs1 1541626080 MHYZCNUDQHPYKV-UHFFFAOYSA-N 319.386 3.236 10 10 DGCE COc1ccc(CN[C@@H](C)CNC(=O)CC(C)=C(C)C)cc1C 1480520192 LJRPQRPQAIVOSX-INIZCTEOSA-N 318.461 3.344 10 10 DGCE C[C@H](NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1O 1620505283 VOXHKOKRLCAPDM-JTQLQIEISA-N 317.301 3.059 10 10 DGCE CC[C@H](NCc1cc(Cl)cc(C(C)=O)c1O)c1noc(C)n1 1559736978 SKCWPCUAFDLJBT-ZDUSSCGKSA-N 323.780 3.181 10 10 DGCE CC1(C)CCC[C@H]1CCNC(=O)/C=C\c1ccc(O)c(O)c1 1633668022 WAFOADHMMLTYOH-QPBFKRLHSA-N 303.402 3.444 10 10 DGCE C[C@@H](CC(=O)NCc1ccc2cccnc2c1O)c1ccco1 1630532707 OTURNVWZBMXMJF-LBPRGKRZSA-N 310.353 3.343 10 10 DGCE C[C@@H](NC(=O)c1cc(Cl)c2c(c1)OCO2)c1ccccc1O 1643738551 GLXZBXDZNKVRSP-SECBINFHSA-N 319.744 3.265 10 10 DGCE O=C(NCc1ccccc1O)N[C@H](CF)c1ccc(F)cc1 1684844309 RLPVQWDYHULVBT-CQSZACIVSA-N 306.312 3.041 10 10 DGCE Nc1ccc(CC(=O)Cc2ccccc2Br)cc1 166805757 IJPMVGAMRYPKKX-UHFFFAOYSA-N 304.187 3.386 10 10 DGCE Cc1ccc(CN[C@@H]2CCSC2)c(O)c1Br 1905140909 CEZNPABEGDCUTE-SNVBAGLBSA-N 302.237 3.058 10 10 DGCE CC(C)[C@@H](CO)N(CCc1ccc(N)cc1)Cc1ccccc1 1915323750 KSQKRAXRMQZBGL-HXUWFJFHSA-N 312.457 3.330 10 10 DGCE C[C@H](N[C@H]1CCCC2(CC1)OCCO2)c1ccc(N(C)C)cc1 1967519138 BRKGCSHYBXXBLZ-RDJZCZTQSA-N 318.461 3.479 10 10 DGCE C[C@H]1CCO[C@@H]1CCNCc1c(O)cccc1Br 1918146978 VCARSAYGMFQHFS-IINYFYTJSA-N 314.223 3.059 10 10 DGCE C[C@H]1CN(Cc2ccccc2)C[C@H](C)N(c2ccc(CN)cc2)C1 1921427924 ZAVPKIIGQLXUNN-ROUUACIJSA-N 323.484 3.492 10 10 DGCE Nc1ccc(CNCc2ccc(NC(=O)C(F)(F)F)cc2)cc1 1944077149 CCDSYDQNIFTWEC-UHFFFAOYSA-N 323.318 3.059 10 10 DGCE CCCN[C@@](CO)(CSc1nccs1)C[C@@H](C)CC 2142625806 AXOCUAOROACLMD-JSGCOSHPSA-N 302.509 3.402 10 10 DGCE Cc1cccc(CN[C@H](C)[C@@H]2CCN2C(=O)OC(C)(C)C)c1O 1994449254 CADBUIPBIMULIG-HIFRSBDPSA-N 320.433 3.188 10 10 DGCE CC[C@@H](CN(C)Cc1ccc(Br)cc1O)OC 2014864228 FAYLMNDJLSPSNL-LBPRGKRZSA-N 302.212 3.012 10 10 DGCE CCCN1CCC[C@@H](Nc2c(N)cccc2Br)C1 2040896896 SMRFDVBFSRLYFC-LLVKDONJSA-N 312.255 3.318 10 10 DGCE CC1(C)CC[C@H](Sc2nccs2)C[C@@]1(CO)NC1CC1 2155410706 JLQCMCVQYULEGC-WFASDCNBSA-N 312.504 3.297 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1C[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2O1 362009535 IPXHGYRSHIGURI-HBJVGIJOSA-N 314.212 3.308 10 10 DGCE Oc1cccc(Br)c1CNCC[C@H]1CC1(F)F 706880724 IJHGMAIRABEQDN-QMMMGPOBSA-N 306.150 3.290 10 10 DGCE COC(=O)c1cc(C(C)C)nn1[C@@H](C)c1cccc(C)c1O 2069953663 XSELZRUZDXAVJJ-LBPRGKRZSA-N 302.374 3.416 10 10 DGCE CNCc1cc(C2CCC2)nn1Cc1ccc(Cl)cc1O 2070038517 FISVXXGMVVCFOI-UHFFFAOYSA-N 305.809 3.277 10 10 DGCE CCOC(=O)c1cnn([C@@H](C)c2ccc(OC)cc2O)c1Cl 2070375031 ARUZZGKPBZXOHE-VIFPVBQESA-N 324.764 3.037 10 10 DGCE C[C@@H](N)c1ccc(N(C)C[C@]2(C)CSCCO2)c(Cl)c1 2201254175 KUKSYNVQRFAECM-IAQYHMDHSA-N 314.882 3.318 10 10 DGCE O=C1N=C(N2CCCCCC2)SC1=Cc1ccc(O)cc1 2296665699 NKDQHQIUCGSFNK-UHFFFAOYSA-N 302.399 3.239 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)Nc1c[nH]nc1-c1ccccc1 2308001992 LDFSYBYOVWRGMJ-UHFFFAOYSA-N 321.336 3.140 10 10 DGCE C[C@H]1CC[C@@H](C)N(Cc2ccc(N3CCOCC3)c(F)c2)C1 93498632 WNSYWYIUBFDXSP-LSDHHAIUSA-N 306.425 3.283 10 10 DGCE C(=C/c1ccccc1)\CNCc1ccc(N2CCOCC2)cc1 102424069 ZOGKPPQBRUFSDQ-QPJJXVBHSA-N 308.425 3.326 10 10 DGCE COc1ccc(N(CC(=O)NCC(C)C)[C@H](C)C2CC2)cc1 109773867 WDTPGTLZACJXLZ-CQSZACIVSA-N 304.434 3.072 10 10 DGCE CC[C@@H]1CN(c2ccc(CNC3CC3)cc2Cl)CCN1C 164075746 CONLOIGBMVUUSG-OAHLLOKOSA-N 307.869 3.122 10 10 DGCE CCOC(=O)[C@](N)(CCSc1nccs1)c1ccccc1 168225825 UTRLVYRBAZXEJO-HNNXBMFYSA-N 322.455 3.043 10 10 DGCE C[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)c1cccnc1 173938527 IGXKFEZFWZJILG-HNNXBMFYSA-N 309.413 3.102 10 10 DGCE Cc1cc(/C=C\C(=O)O)ccc1N(C)Cc1scnc1C 216028475 GCRZKSRFRFEMMJ-ALCCZGGFSA-N 302.399 3.494 10 10 DGCE CC(=O)N(C(=O)N/C=C/c1cccc(C)c1)c1ccc(N)cc1 217878410 YCHOSNJWZNTRIZ-ZHACJKMWSA-N 309.369 3.311 10 10 DGCE CCOC(=O)c1[nH]c2ccccc2c1N=NN1CCSCC1 254616072 YQWVJGVOHAIZML-UHFFFAOYSA-N 318.402 3.392 10 10 DGCE CCOc1cccc(NCCc2ccc(N)cc2)c1[N+](=O)[O-] 262071677 GCIWCIWCZTYNCV-UHFFFAOYSA-N 301.346 3.230 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@H]2[C@@H](CO)C3)cc1 291860300 FHIGDEAVWFFOHQ-NEWSRXKRSA-N 324.424 3.080 10 10 DGCE Cc1cccc(CNCCc2cccc(C(F)(F)F)n2)c1O 293806333 DOVVJOCGNOVNTA-UHFFFAOYSA-N 310.319 3.447 10 10 DGCE C[C@H](Nc1cncc(Br)c1)c1cc(O)ccc1O 302316529 BTZNJBRLLMXKNM-QMMMGPOBSA-N 309.163 3.428 10 10 DGCE Cc1cc(CN)ccc1N1CCCN(Cc2ccccc2)CC1 323723792 LMXWQKDECPTKTL-UHFFFAOYSA-N 309.457 3.166 10 10 DGCE CC1=C(c2ccco2)CN(C(=O)c2ccc(C)c(O)c2O)CC1 374573814 WTOMEUFSXBHUHA-UHFFFAOYSA-N 313.353 3.319 10 10 DGCE CC[C@@H](N[C@H](C)C(C)(C)O)c1cc(Br)ccc1O 393969223 WXLHKLHKNSCJGP-BXKDBHETSA-N 316.239 3.355 10 10 DGCE NCc1ccc(N2CC[C@@H](C3CC3)C2)c(F)c1Br 400153856 GHJYWGYDUOPSIS-LLVKDONJSA-N 313.214 3.283 10 10 DGCE CCS[C@@H]1CCCCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 588404985 CGRREVOVBLBQOI-IUCKJTJTSA-N 321.442 3.245 10 10 DGCE CC[C@H](c1cc(Br)ccc1O)N1C[C@@H](N)C[C@@H]1C 702642875 HJBIJQRTYOMDAO-XHVZSJERSA-N 313.239 3.027 10 10 DGCE C[C@H](NCC1CN(Cc2ccccc2)C1)c1cc(F)ccc1O 716270973 NWWUEIDLGALTTP-AWEZNQCLSA-N 314.404 3.314 10 10 DGCE CO[C@@H]1CC[C@@H]1N(C)c1ccc([C@H](C)O)cc1Br 724149984 IELUDSJMKZLAPN-QCZZGDTMSA-N 314.223 3.116 10 10 DGCE C[C@@H](CC(=O)NCCCSc1nccs1)n1cccc1 735054562 TWFCVCFLOLBFOK-LBPRGKRZSA-N 309.460 3.194 10 10 DGCE COc1c(C)cnc(CNC(=S)Nc2ccc(F)cc2)c1C 747618480 DUSCWVPSZVRZIP-UHFFFAOYSA-N 319.405 3.333 10 10 DGCE CCN(CC)c1ccc(CN(C)[C@H]2CCN(C3CC3)C2)cc1F 769326404 LLXVBWJTYVCFMN-KRWDZBQOSA-N 319.468 3.340 10 10 DGCE CC[C@H](NCC[C@H](C)[S@@](C)=O)c1cc(Cl)ccc1O 775522760 ZPKNZYJVECBROV-WSHAHDTKSA-N 303.855 3.243 10 10 DGCE COc1ccc(CNc2cc(C)nc(-c3cccnc3)n2)c(O)c1 795284268 JQXNXOBZPFUVOV-UHFFFAOYSA-N 322.368 3.173 10 10 DGCE Cc1cc(N(C)C)ccc1CN[C@@H]1CCN(C)[C@H]2CCC[C@H]21 796772265 PQWIAKNWJBEUHB-OTWHNJEPSA-N 301.478 3.023 10 10 DGCE CN(C)c1ccc(CN2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 824696328 LJXXNAKDVQSPEJ-IPMKNSEASA-N 302.462 3.268 10 10 DGCE Oc1ccc(Cl)cc1CN1C[C@@]23CCCC[C@]2(COC3)C1 827849639 GMLXELDRUHZYTM-IAGOWNOFSA-N 307.821 3.438 10 10 DGCE COc1cccc(CNC(=O)Cc2cccc(C(C)C)c2)c1O 837486390 YDOOIYHBLRYLQQ-UHFFFAOYSA-N 313.397 3.383 10 10 DGCE CC[C@@H](NC[C@](C)(CO)OC)c1ccc(Cl)c(Cl)c1O 848557603 GGGAYDPACDCLJT-BXUZGUMPSA-N 322.232 3.137 10 10 DGCE CN(C)c1ccc(CN[C@H](C2CC2)[C@H]2CCCCO2)cc1F 848560622 OXMRIRCCUOYKJK-QZTJIDSGSA-N 306.425 3.329 10 10 DGCE CN(C)c1ccc(/C=C\CNC[C@H]2CCCN2CC(F)F)cc1 858231743 PJQXBXKGUXNOFT-MAVJXHJTSA-N 323.431 3.085 10 10 DGCE C[C@@H](NCCc1cn(C)c2ncccc12)c1cc(F)ccc1O 866574706 ZNTRGWIKPVFZMY-GFCCVEGCSA-N 313.376 3.311 10 10 DGCE C[C@H](NC(=O)NCCO[C@H]1CCCC[C@H]1C)c1ccccc1O 868103158 GDVYCTFSYRNHCN-KEYYUXOJSA-N 320.433 3.348 10 10 DGCE COC[C@H](NC(=O)N[C@@H](C)c1ccccc1O)c1ccccc1 868470046 PVAVBFGIDANZDT-BBRMVZONSA-N 314.385 3.140 10 10 DGCE c1cc(CCNCc2ccc(N3CCCCC3)cc2)sn1 883241698 ICMSIECLBDYAOH-UHFFFAOYSA-N 301.459 3.466 10 10 DGCE CCCN(CCC)c1ccc(CN2CC[C@](F)(C(=O)O)C2)cc1 901515987 ODVXDRBKJMPBMP-GOSISDBHSA-N 322.424 3.312 10 10 DGCE Cc1ccc([C@@H](C)NC[C@@]2(C(F)(F)F)CCCN2)c(O)c1 925852753 GHNPVBVFGCRJIM-BXUZGUMPSA-N 302.340 3.036 10 10 DGCE C[C@H](N[C@H]1c2ccccc2CC[C@H]1O)c1ccc(F)cc1O 927138598 FIMDYSBXEDJFST-LSKLOWJMSA-N 301.361 3.230 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2C[C@H]3C=C[C@H]2CC3)c1 927816502 QBFRBJFCLBAUJB-DVZHBHJUSA-N 316.401 3.116 10 10 DGCE CC(=O)c1cc(Cl)cc(CN[C@H]2CCOC23CCCC3)c1O 934394245 FNCSMEOVBZNPBF-HNNXBMFYSA-N 323.820 3.440 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CCC[C@H](F)C1 1348976926 CICAMTFGIITISI-KGLIPLIRSA-N 305.393 3.416 10 10 DGCE Cc1cc(NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)ncn1 1435202183 FQCRLRMNZSSLPG-UHFFFAOYSA-N 320.396 3.374 10 10 DGCE CN1CCc2ccc(NC(=O)c3ccc(N=NC(N)=O)cc3)cc21 1466421735 ONBLKWDDCQNRKM-UHFFFAOYSA-N 323.356 3.094 10 10 DGCE CC(C)(C)Oc1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 1645652859 SOBHPQMDIPCCIQ-UHFFFAOYSA-N 315.369 3.456 10 10 DGCE O=C(NCc1cc(O)ccc1O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 1651225583 PPVQQKKVALEJQA-MELADBBJSA-N 303.402 3.321 10 10 DGCE C[C@@H]1Cc2cc(NC(=O)/C=C/c3ccc(O)c(O)c3)ccc2O1 1652972581 JITQIVHHXJNASV-CGAJTASUSA-N 311.337 3.073 10 10 DGCE CC(C)CONC(=O)N(C)Cc1ccc(N2CCCC2)cc1 1680680931 ZOYQRNOEGNLZEH-UHFFFAOYSA-N 305.422 3.016 10 10 DGCE CCCCC(=O)NCC1(NCc2ccc(OC)c(C)c2)CCC1 1724785223 ZDKCQRKDMSBZBD-UHFFFAOYSA-N 318.461 3.322 10 10 DGCE Cc1ccccc1/C=C1/SC(=S)N(CCCCCO)C1=O 1858589798 KIEJPBKHDUJGFC-SDNWHVSQSA-N 321.467 3.359 10 10 DGCE COc1ccc(OC)c(C(=O)Nc2cccc(N(C)C)c2)c1 1865957180 FNNDPXPFBGQJAC-UHFFFAOYSA-N 300.358 3.022 10 10 DGCE NCc1ccc(N2CC[C@H]2C(F)(F)F)c(Br)c1 1916194672 MIWXIYVVOXQGSB-JTQLQIEISA-N 309.129 3.049 10 10 DGCE CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)c1ccccc1O 1928474958 RZRVAULCUBSEFG-TUKIKUTGSA-N 308.422 3.331 10 10 DGCE Nc1ccc(CN[C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)cc1 1944077086 BNSZBXWMZHYORW-JBACZVJFSA-N 321.468 3.412 10 10 DGCE CC(C)(C)OC(=O)Nc1cc([N+](=O)[O-])ccc1[C@@H](CO)N=[N+]=[N-] 1951355136 XFLLWKYFGIIUBM-LLVKDONJSA-N 323.309 3.286 10 10 DGCE C[C@H](NC(=O)OC(C)(C)C)C1(COc2ccc(N)cc2)CC1 1952843566 URNUZINEYPCEIF-LBPRGKRZSA-N 306.406 3.341 10 10 DGCE CC1(CONCc2cc(Br)cc(F)c2O)CC1 2007829763 HXEUHCKWBFPPMG-UHFFFAOYSA-N 304.159 3.115 10 10 DGCE Cc1cc(Br)ncc1CN1CCC[C@@H](N=[N+]=[N-])C1 2057192355 GODGRVPCULNZKM-LLVKDONJSA-N 310.199 3.427 10 10 DGCE C[C@@H]1OCC[C@H]1CN(C)Cc1cc(Br)ccc1O 2057470791 YIRDTMMZQRGNLS-QWRGUYRKSA-N 314.223 3.012 10 10 DGCE CNCc1ccc(N(C)C[C@H]2C[C@H]2CF)cc1Br 2071378862 HRWHBHBVVRHVDY-NWDGAFQWSA-N 315.230 3.210 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)c2ncccc2Br)CC1 2099336583 LXUIAXKDZGNFLB-VIFPVBQESA-N 324.182 3.149 10 10 DGCE CO[C@H]1CC[C@H](N(C)c2cc(Cl)c(CN)cc2F)CC1 2177381747 QJWMBSHGXJBPIS-HAQNSBGRSA-N 300.805 3.332 10 10 DGCE COC(=O)c1cnc(Sc2ncnc3ccccc23)s1 2182632464 OHBCXANRSSKXMV-UHFFFAOYSA-N 303.368 3.024 10 10 DGCE CSc1ncc(CNC[C@H]2CCCc3cccnc32)s1 2208556055 CKZONFYQUCKJFZ-GFCCVEGCSA-N 305.472 3.470 10 10 DGCE COc1ccc(N(Cc2ccccc2)[C@H](C)CCO)c(OC)c1 2210910233 PBBLVHDDLOCXGY-OAHLLOKOSA-N 315.413 3.481 10 10 DGCE Nc1ccc(OCCNc2cc(N)cc(Br)c2)cc1 2225946926 HFUHQGANSDBDAM-UHFFFAOYSA-N 322.206 3.104 10 10 DGCE CCC(F)(F)CCSc1ncc(CNCCOC)s1 2268431114 OLRPTQBOHZXWAC-UHFFFAOYSA-N 310.435 3.407 10 10 DGCE CSc1ncc(CNCc2ccc([N+](=O)[O-])c(C)c2)s1 2295666471 IUSTXKGOSBGLJC-UHFFFAOYSA-N 309.416 3.371 10 10 DGCE C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)C=Cc1ccc(O)c(O)c1 2307987336 SRBCKDVDFHXUQJ-YUELXQCFSA-N 301.386 3.291 10 10 DGCE O=C(C=Cc1cncc(F)c1)N1CCN(C2CC2)c2ccccc21 2310247350 SZQRDVKAUJLYCX-UHFFFAOYSA-N 323.371 3.250 10 10 DGCE Cc1ccc(CNCc2ccc(C)c(Br)c2O)cn1 2352949219 AHZSBBCWDGGAQY-UHFFFAOYSA-N 321.218 3.456 10 10 DGCE COc1c(F)cc(CNCc2cnc(SC)s2)cc1F 2363278657 FPFJAIIFJYLVSM-UHFFFAOYSA-N 316.398 3.442 10 10 DGCE CCCNC[C@H]1CCN(c2cc(Cl)c(OC)cc2OC)C1 53011392 LVEOGEOYCWTWJN-GFCCVEGCSA-N 312.841 3.183 10 10 DGCE CC[C@@H](C(=O)Nc1ccc(N)cc1)N1CCc2ccccc2C1 62460731 XZDSCWMKXOMQOQ-SFHVURJKSA-N 309.413 3.044 10 10 DGCE CC(C)NCc1ccc(N2C[C@H](C)N(C)[C@@H](C)C2)c(Cl)c1 127946120 NGYJTVCRLXVIPO-KBPBESRZSA-N 309.885 3.367 10 10 DGCE O=C(O)[C@H]1c2ccsc2CCN1Cc1c(O)cccc1Cl 128829017 UUNGZYSHKFAWLV-CQSZACIVSA-N 323.801 3.291 10 10 DGCE CN(Cc1ccccc1O)C(=O)/C=C/c1cnc2ccccc2n1 136941837 INCWKSXMBQZMEX-ZHACJKMWSA-N 319.364 3.007 10 10 DGCE COC[C@@](C)(NCc1cccc(OC)c1O)c1ccccc1 154691887 YYCWEAKZYWGLKS-GOSISDBHSA-N 301.386 3.052 10 10 DGCE CC(C)CNCc1ccc(N2CCC[C@@H](CO)C2)c(Cl)c1 163960974 VCLNHJXCVAVICR-OAHLLOKOSA-N 310.869 3.294 10 10 DGCE CC[C@@H]1CN(Cc2cc(Cl)cc(OC)c2O)[C@H](CC)CN1 169220547 JRALOWFVMQDXMR-ZIAGYGMSSA-N 312.841 3.017 10 10 DGCE C[C@@H](N[C@H](CN(C)C)c1ccccc1)c1ccc(F)cc1O 170788915 VVBLAEKWJILUHQ-CXAGYDPISA-N 302.393 3.485 10 10 DGCE C[C@@H]1CCN(C(=O)c2cccc(O)c2O)[C@@H](c2ccco2)C1 187157579 JWBDRVNOCFDWHH-DGCLKSJQSA-N 301.342 3.304 10 10 DGCE CCOCCCN1CC[C@H](N[C@@H](C)c2ccccc2O)[C@@H](C)C1 248386016 KVLBRBOPCKJWIC-BQFCYCMXSA-N 320.477 3.180 10 10 DGCE CCOCc1nc([C@H](C)N[C@@H](CC)c2ccc(F)cc2O)no1 290034564 DCQVDKYKMDZPJG-GWCFXTLKSA-N 323.368 3.253 10 10 DGCE Cc1cccc(CN[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)c1O 381346087 GQAAMONNQUKTLI-OLZOCXBDSA-N 308.422 3.092 10 10 DGCE c1cc(N2CCCCC2)ccc1CN[C@H]1CCN2CCC[C@H]2C1 393443738 ZYZPXCLEBASQDT-ICSRJNTNSA-N 313.489 3.393 10 10 DGCE CCO[C@H]1CCN(c2ccc([C@@H](C)N)c(Br)c2)C1 701700388 OKMVGDNZKQQBFO-PWSUYJOCSA-N 313.239 3.084 10 10 DGCE COC(=O)/C=C\c1ccc(N2CCCC(C)(C)C2)c([N+](=O)[O-])c1 732981205 BORRHUJDOQWJJG-VURMDHGXSA-N 318.373 3.407 10 10 DGCE CC(C)[C@H](C)CNC(=O)NCc1c(O)ccc2c1CCCC2 745834818 OYNZNKIOPPPGAK-CYBMUJFWSA-N 304.434 3.362 10 10 DGCE CCOc1ccc(CN2CC[C@H](C)[C@@H](n3ccnc3)C2)c(O)c1 770319685 AMDIVHWPQDWJTC-YOEHRIQHSA-N 315.417 3.071 10 10 DGCE C[C@H]1CCN(C(=O)NCCCSc2nccs2)C[C@@H]1F 779363497 FVLMQYWLFXSTHW-QWRGUYRKSA-N 317.455 3.015 10 10 DGCE CCOc1ccc(CN2CCCC[C@@H]2c2ccnn2C)c(O)c1 798960268 DOQSHZPBWPEXRK-QGZVFWFLSA-N 315.417 3.252 10 10 DGCE O=[N+]([O-])c1ccc(O)c(CN[C@@H]2Cc3ccc(Cl)cc3C2)c1 800288096 GOUMBIUMWLBDDJ-CQSZACIVSA-N 318.760 3.211 10 10 DGCE CCN(CC)c1ccc(CN2CCO[C@@H](C(F)F)C2)cc1F 802652642 FJHWMGFORZEXGL-OAHLLOKOSA-N 316.367 3.138 10 10 DGCE CC[C@H](NCc1cnn(C)n1)c1cc(Cl)cc(Cl)c1O 806167114 KXTVNXIOVOHCAW-LBPRGKRZSA-N 315.204 3.068 10 10 DGCE Cc1cc(Cl)cc([C@@H](C)NCCCN2CCCC2=O)c1O 808672392 MCMSGRHFEWNDSQ-GFCCVEGCSA-N 310.825 3.017 10 10 DGCE Cc1ccccc1-n1c(C)cc(C(=O)N2Cc3c[nH]nc3C2)c1C 816705349 CLASAMGMZWSRRL-UHFFFAOYSA-N 320.396 3.282 10 10 DGCE CCN1C[C@H](C)N(C/C=C/c2ccc(N(C)C)cc2)C[C@H]1C 835025884 MLCWPEIXNLHALQ-PWHGLLLSSA-N 301.478 3.180 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@@H]2c3ccccc3C[C@H]2O)cc1 835044391 ZKEATWMGWUGNCX-SBUVDCAVSA-N 308.425 3.014 10 10 DGCE CC[C@@H](CC(F)F)C(=O)NCCCSc1nccs1 837414486 QBSUPWGMRHZBJI-VIFPVBQESA-N 308.419 3.423 10 10 DGCE CCCC[C@](C)(CO)NCc1cc(Cl)cc(OC)c1O 843426141 OKPVTTXWTXFMMO-OAHLLOKOSA-N 301.814 3.085 10 10 DGCE COC[C@@H](C)Cc1noc(-c2ccc(-n3cccc3)c(F)c2)n1 844880702 LZMOUOODVKILIR-LBPRGKRZSA-N 315.348 3.491 10 10 DGCE CN(C)c1ccc(CN[C@@H](C[C@@H]2CCCO2)C(F)(F)F)cc1 848572675 VKZQPDVVNVBGDD-GJZGRUSLSA-N 316.367 3.342 10 10 DGCE c1cc(N2CCOCC2)ccc1CNC[C@@H]1CCC[C@H]2C[C@@H]21 850378323 YNHMZXXDYLEJRM-LNLFQRSKSA-N 300.446 3.049 10 10 DGCE Cc1cc(CN2CCOc3ccc(O)cc3C2)ccc1N(C)C 852689201 UYCWVWUREJMPQW-UHFFFAOYSA-N 312.413 3.161 10 10 DGCE C[C@@H](NC(=O)Cc1ccc(N)cc1)c1ccc2c(c1)CCCO2 852926456 AZWHXHMQWUMBQR-CYBMUJFWSA-N 310.397 3.014 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)C[C@H]3CCC[C@@H]3C)C2)cc1 855223669 CETABBIFVBFHIE-XHSDSOJGSA-N 316.445 3.216 10 10 DGCE C[C@@]1(F)CCCN(Cc2c(O)cccc2Br)C1 862382115 PYPSTIQGXTUMHW-CYBMUJFWSA-N 302.187 3.479 10 10 DGCE CCOCCCCCC(=O)NCc1ccc2c(c1)CCCN2C 865052294 AKFQDJLEVKPRHW-UHFFFAOYSA-N 318.461 3.282 10 10 DGCE C[C@@H](NC(=O)N[C@@H]1CCCC12CC2)c1ccc(N(C)C)cc1 868515124 IZVYEHSJBUDISM-CZUORRHYSA-N 301.434 3.446 10 10 DGCE C[C@H]1C[C@@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)CCS1 927260811 NPEMXRJFBLLABR-ZFWWWQNUSA-N 321.490 3.178 10 10 DGCE O=C(C[C@]12CCCC[C@@H]1C2(F)F)NCc1c(O)cccc1F 928710100 GWHPHDAMGWHXEY-DZGCQCFKSA-N 313.319 3.363 10 10 DGCE CCO/C(C)=C1/SC(=S)N(c2cccc(OC)c2)C1=O 1088727148 OLSZOBDTJDQIHU-FMIVXFBMSA-N 309.412 3.328 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1nccs1 1124623783 WVKKDJSGZODKKP-UHFFFAOYSA-N 301.415 3.016 10 10 DGCE COc1ccc(Br)c(CN2CCC[C@@H](F)C2)c1O 1231553017 OWHNKZAUUYSLSP-SECBINFHSA-N 318.186 3.097 10 10 DGCE CC(C)c1cc(NC(=O)Cc2ccc(O)c(O)c2)ccc1O 1302994114 PWDJPCCNINUIDW-UHFFFAOYSA-N 301.342 3.108 10 10 DGCE c1ncc(C2CCN(Cc3ccc(N4CCCC4)cc3)CC2)[nH]1 1319823632 RRVNEOFPFUQKQO-UHFFFAOYSA-N 310.445 3.390 10 10 DGCE COCCN(C(=O)/C=C/c1ccc(Cl)nc1)c1ccccc1 1436261366 PPSOIYIGHHFDCJ-CSKARUKUSA-N 316.788 3.428 10 10 DGCE COc1ncc(/C=C/C(=O)N2CCCc3ccc(C)c(C)c32)cn1 1436809664 CDLSFIZRKRXJJE-VQHVLOKHSA-N 323.396 3.095 10 10 DGCE CC(C)N(C)c1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 1464850780 PFFGTAAAIPESNJ-UHFFFAOYSA-N 314.385 3.124 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)[C@H]2C[C@@]2(C)C(C)C)cc1 1531374426 CCCWVSDRUQWYMB-MJGOQNOKSA-N 318.461 3.272 10 10 DGCE Cc1c(C(=O)N[C@H](C)c2ccccc2O)cccc1[N+](=O)[O-] 1557967226 XRFVLDCLMOPVAR-LLVKDONJSA-N 300.314 3.100 10 10 DGCE O=C(/C=C\c1cccc(O)c1)NCc1cc(Cl)ccc1O 1628681581 YJIGMKIYMUODOO-DAXSKMNVSA-N 303.745 3.081 10 10 DGCE CC(=O)CC1(C(=O)NCc2c(O)ccc3c2CCCC3)CCC1 1631438417 DVZDVFULQBMHMN-UHFFFAOYSA-N 315.413 3.037 10 10 DGCE Nc1c(F)cccc1C(=O)NCc1c(O)ccc2ccccc12 1652708562 HXFPZFKYDWFAFZ-UHFFFAOYSA-N 310.328 3.197 10 10 DGCE CC(C)NCc1ccc(N2CC(F)(F)C2)cc1Br 1917012971 CFYWCCZXJHQLJR-UHFFFAOYSA-N 319.193 3.402 10 10 DGCE CC(C)(C)OC(=O)NC1CC(C)([C@H](N)c2ccccc2O)C1 1934167991 SCIPLCMYQSOGRD-CHHLVHLRSA-N 306.406 3.085 10 10 DGCE CN[C@H](c1ccccc1O)[C@@]1(CNC(=O)OC(C)(C)C)C[C@@H]1C 1940054072 BVKCWPYNSULKMF-WBHUJUFNSA-N 320.433 3.204 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H](F)[C@H]1c1cccc(N)c1O 1953074342 VNMBHZVMTGBCFI-DGCLKSJQSA-N 310.369 3.385 10 10 DGCE CN(CC[C@@H](N)c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C 1959561751 BOSALJNPVWJTAR-OAHLLOKOSA-N 307.438 3.009 10 10 DGCE CC(C)(C)OC(=O)NCCC[C@H]1CCCCN1CCN=[N+]=[N-] 1962306357 YZXVOSVNIRJILB-CYBMUJFWSA-N 311.430 3.456 10 10 DGCE N[C@]1(c2ccccc2O)CCN(Cc2ccccc2)C2(CC2)C1 1976698897 APRCLEQYVUTRGG-HXUWFJFHSA-N 308.425 3.375 10 10 DGCE CNCc1ccc(N2C[C@H](F)C[C@@H]2C)cc1Br 1997675391 DPUGLALRZGCREE-GXSJLCMTSA-N 301.203 3.105 10 10 DGCE C[C@H](O)c1ccc(N(C)C[C@H]2C[C@@H]2F)c(Br)c1 2014705549 VYJKKIFTANIOQR-XRNSZHNASA-N 302.187 3.297 10 10 DGCE CC(C)c1cnn(Cc2cccc(Br)c2O)c1O 2070223640 VOCBEFGXQDZKEJ-UHFFFAOYSA-N 311.179 3.229 10 10 DGCE C[C@@H](O)c1ccc(N(CCO)Cc2ccsc2)cc1Cl 2171089155 OSALJLYLBMPVKM-LLVKDONJSA-N 311.834 3.454 10 10 DGCE CSc1ncc(CNC2=NC[C@H](CC(C)C)S2)s1 2256949871 UJWGVZHICBGEHP-VIFPVBQESA-N 301.506 3.472 10 10 DGCE CN(Cc1cc(Cl)cc(Cl)c1O)[C@H]1CNCC1(C)C 2274228830 ZSXDDHYQILKJRH-LBPRGKRZSA-N 303.233 3.129 10 10 DGCE CC(C)CC1=NN2C(=N)C(=Cc3ccccc3)C(=O)N=C2S1 2297310442 YPMYJWIMMZZQCF-UHFFFAOYSA-N 312.398 3.352 10 10 DGCE CCN(CCN=[N+]=[N-])C(=O)c1cc(Br)oc1C 2300531027 AAOJWCYYPMGCKX-UHFFFAOYSA-N 301.144 3.123 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)C=Cc2ccc(F)cc2)c1 2301402180 ODWTWCFUVBSXRV-GFCCVEGCSA-N 315.344 3.431 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)N[C@@H]1CCc2cc(F)ccc21 2307986718 VLCVBQREUCCNPK-OAHLLOKOSA-N 313.328 3.054 10 10 DGCE Oc1ccc(OC(F)(F)F)cc1CNCCSC(F)F 2361028906 NCJDLAKMYGPPPB-UHFFFAOYSA-N 317.279 3.336 10 10 DGCE CCN([C@H]1CCOC1)[C@@H](C)c1cc(Br)ccc1O 311181905 ZAZIEUUGBOEZIX-JQWIXIFHSA-N 314.223 3.327 10 10 DGCE COc1cccc(CNCc2nc3ccccc3s2)c1O 21505479 OUGYKHWZOKHMER-UHFFFAOYSA-N 300.383 3.300 10 10 DGCE C[C@H](N[C@H]1CCCN(c2ccccc2)C1=O)c1ccccc1O 179884725 LWFACQQGHGSHBN-YOEHRIQHSA-N 310.397 3.238 10 10 DGCE C[C@H](NCC[C@H]1C(=O)Nc2ccccc21)c1cc(F)ccc1O 185879756 XADZEZJFXBHSPZ-SMDDNHRTSA-N 314.360 3.308 10 10 DGCE Cc1cc(-n2cccn2)ccc1NCc1cc([N+](=O)[O-])ccc1O 188885344 PDNSLTYBJJXJBT-UHFFFAOYSA-N 324.340 3.407 10 10 DGCE Cc1ccc([C@H](C)Nc2ccccc2S(C)(=O)=O)c(O)c1 37075782 AKJXGODTXFZVAA-LBPRGKRZSA-N 305.399 3.277 10 10 DGCE Cc1ccc2c(c1)NC1(CCNCC1)CN2Cc1ccc(N)cc1 75281125 KPEXUVQFEKERSK-UHFFFAOYSA-N 322.456 3.132 10 10 DGCE NCc1ccc(N(CC(F)(F)F)C2CC2)cc1Br 228150816 MFKBFOGKEIEAFR-UHFFFAOYSA-N 323.156 3.439 10 10 DGCE CCN[C@@H]1C(=O)Nc2cc(N3CCC[C@H](C)C3)c(Cl)cc21 92749818 AQCUHQOQLMEHFR-BONVTDFDSA-N 307.825 3.179 10 10 DGCE CN[C@@H](C)c1ccc(N2CCO[C@H](CCF)C2)cc1Cl 700575397 PSSROCQOYHIMRI-WCQYABFASA-N 300.805 3.185 10 10 DGCE C[C@@H]1COCC[C@H]1NCc1ccc(N(C)C)cc1C(F)(F)F 280521621 HTMIHKNEQIGZMG-IAQYHMDHSA-N 316.367 3.286 10 10 DGCE C[C@@H](NCc1cc(Cl)c(F)cc1O)[C@@H](O)c1ccccc1 293966684 QHRIYNIWLGROMM-QLJPJBMISA-N 309.768 3.396 10 10 DGCE OCCCC1CCN(Cc2cc(Cl)c(F)cc2O)CC1 293513244 CHRJMJDWBLSAIU-UHFFFAOYSA-N 301.789 3.169 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)/C=C\[C@@H]1CCCO1 819524491 MNQLSUPYUFAWFP-SNGWPZLWSA-N 303.402 3.256 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)[C@@H](C)c1ccnn1C 817599408 FGRXWZHKJVUDDB-AWEZNQCLSA-N 315.417 3.058 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCC[C@H]2C2CC2)cc1 823563664 DYBZJIBMHNGTJB-ZFWWWQNUSA-N 314.389 3.405 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)CC(F)(F)C(F)F 900026548 NANVXPJRNHEVAA-UHFFFAOYSA-N 306.303 3.002 10 10 DGCE CC[C@H](NC[C@]1(OC(C)C)CCOC1)c1ccc(N(C)C)cc1 903360696 LSTJHHQMOOCCPA-RBUKOAKNSA-N 320.477 3.377 10 10 DGCE CC[C@@](C)(NC(=O)/C=C\c1ccc(O)c(O)c1)c1nccs1 588407057 RVPJLMHMRMYXQX-GMNBZTITSA-N 318.398 3.009 10 10 DGCE CC[C@@H](OCCNC(=O)Cc1ccc(N)cc1)c1ccccc1 846687798 GEQAYQDAMKNOPQ-GOSISDBHSA-N 312.413 3.095 10 10 DGCE Oc1c(Br)cccc1CN1CC[C@@]2(C1)CC2(F)F 846118178 UZXPNFZBMBDMQP-LBPRGKRZSA-N 318.161 3.386 10 10 DGCE COC(CCN1CCCc2cc(OC(F)F)ccc21)OC 851824778 LQQNXMAGHNCGTJ-UHFFFAOYSA-N 301.333 3.050 10 10 DGCE COc1ccc(N2CC[C@H](N[C@H]3CC[C@@H](C)SC3)C2)cc1 850347661 VOVMADMBHFQTHF-ILXRZTDVSA-N 306.475 3.148 10 10 DGCE CC[C@@H](N[C@H]1Cc2ccccc2N(C)C1=O)c1ccccc1O 850502419 WCHIOVIJVMMJHY-CVEARBPZSA-N 310.397 3.021 10 10 DGCE C[C@@H]1CCC[C@H](CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)O1 852261106 KSCDXGWCKJMRAW-CKEIUWERSA-N 319.449 3.070 10 10 DGCE C[C@H](NCc1nc(-c2ccccc2)n[nH]1)c1cc(F)ccc1O 756868955 ZFSAKAUUJQJXDB-NSHDSACASA-N 312.348 3.167 10 10 DGCE COC(=O)c1ccc(O)c([C@@H](C)N[C@H](C)c2cscn2)c1 850511334 CHLFDHNLUMEDBN-NXEZZACHSA-N 306.387 3.047 10 10 DGCE O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]12 864862001 IFVXLCQSZZBKLX-VINWQNLFSA-N 310.441 3.195 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C)c(C)cn1 930905951 XJVPZVITSONEFP-UHFFFAOYSA-N 311.429 3.427 10 10 DGCE COCC1(C2CCC2)CN(Cc2cc(F)c(N(C)C)cc2F)C1 862412007 ISHJKFVAASROPO-UHFFFAOYSA-N 324.415 3.279 10 10 DGCE OCC[C@@H]1CCCCCN1Cc1ccc(N2CCCC2)cc1 1117077333 WVZPGSMLORMELL-SFHVURJKSA-N 302.462 3.414 10 10 DGCE CC[C@@H]1COCCN1Cc1cc(C)cc(Br)c1O 781901092 MAEQQYLOTQRCCM-GFCCVEGCSA-N 314.223 3.074 10 10 DGCE COc1ccc(O)c([C@H](C)NCC[C@H](OC)C(F)(F)F)c1 786953129 KRZPGHBSQSGUOL-ZANVPECISA-N 307.312 3.019 10 10 DGCE CO[C@]1(CNCc2ccc(Cl)cc2O)CCCSC1 1879928271 RBIGPADGYBODHJ-AWEZNQCLSA-N 301.839 3.047 10 10 DGCE Cc1cc(C(=O)N(C)CCCO)c(C)n1-c1cccc(Cl)c1 799792695 FQIABIRZLQGJMJ-UHFFFAOYSA-N 320.820 3.202 10 10 DGCE CC(=O)N(C)c1ccc(NCc2c(O)cccc2Cl)cn1 1308441685 OJVPOVYHOPHIKA-UHFFFAOYSA-N 305.765 3.035 10 10 DGCE C[C@@H](N)c1ccc(N(CCO)C(C)(C)C)cc1Br 689948685 SCOQWIAMBILJLI-SNVBAGLBSA-N 315.255 3.066 10 10 DGCE CCC[C@@H](Cc1ccccc1)NC(=O)Cc1ccc(O)c(O)c1 1292782068 SCZNEBABQZKZNX-INIZCTEOSA-N 313.397 3.168 10 10 DGCE CCSCc1ccc(C(=O)NCc2ccc(O)cc2O)cc1 1469158619 FBPQAJSGNGHHPN-UHFFFAOYSA-N 317.410 3.281 10 10 DGCE CCN(Cc1cn(C)nc1Br)c1ccc(OC)cc1 1473247453 TVFWVUZXHQUDAZ-UHFFFAOYSA-N 324.222 3.218 10 10 DGCE O=C(O)C1CCN(/N=N/c2ccccc2Br)CC1 1860481784 SLPTWIAWLNVGHK-CCEZHUSRSA-N 312.167 3.244 10 10 DGCE CCC(C)(C)C(=O)N[C@H](C)[C@@H](C)NCc1ccc(OC)c(C)c1 1485185864 AASRBNPYJUGJDM-HUUCEWRRSA-N 320.477 3.423 10 10 DGCE CC[C@H](C(=O)NCc1c(O)cccc1O)c1ccc(F)cc1 1635847180 JQJUOBDTFZGAFT-ZDUSSCGKSA-N 303.333 3.047 10 10 DGCE COc1cccc(F)c1CNC(=O)N[C@H](C)c1ccccc1O 1638707027 AXWWDAHVVGMZEB-LLVKDONJSA-N 318.348 3.100 10 10 DGCE CO[C@H](C(=O)N[C@H](C)c1ccccc1O)c1ccc(F)cc1 1632250133 KWRQJZCZHSIDLP-BZNIZROVSA-N 303.333 3.096 10 10 DGCE C/C(=C\c1cccc(Cl)c1)C(=O)NCc1cccc(O)c1O 1643813206 YYMHUXQQWAEKMQ-DHZHZOJOSA-N 317.772 3.471 10 10 DGCE COC(=O)CN(Cc1cc(Cl)ccc1O)CC1C[C@H]2C[C@@H]2C1 1657602963 PATPTCQAJURIRE-STQMWFEESA-N 323.820 3.067 10 10 DGCE Cc1cc(CNC(=O)C(=O)C(C)(C)C)c(C)n1-c1ccccc1 1596481743 FLODEAQQBXOEFC-UHFFFAOYSA-N 312.413 3.326 10 10 DGCE CN(Cc1ccccc1O)c1nnc(C2CC2)n1Cc1ccco1 1768682088 SGBZFHNUFSFYBD-UHFFFAOYSA-N 324.384 3.139 10 10 DGCE CCNCc1ccc(N(C)CCCOC)c(C(F)(F)F)c1 163712820 HZRISZUVOWHKKN-UHFFFAOYSA-N 304.356 3.288 10 10 DGCE CN(C(=O)COc1ccc(Cl)c(F)c1)c1ccc(N)cc1 156219465 MUWKLQJFOMECMW-UHFFFAOYSA-N 308.740 3.103 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCN2CCCC[C@@H]2C1 211722363 YTWKTWHUAFJPGA-CYBMUJFWSA-N 315.244 3.369 10 10 DGCE Cc1ccc(O)c(CNCc2ccc(Br)cn2)c1 1927101547 HOOHYILDGNSVKH-UHFFFAOYSA-N 307.191 3.148 10 10 DGCE C[C@@H](N)c1ccc(N2CC3(CSC3)C2)c(Br)c1 1942548714 OVYTZNJVVPSEJV-SECBINFHSA-N 313.264 3.022 10 10 DGCE CCN[C@H](C)c1ccc(N2C[C@H](F)[C@@H](OC)C2)c(Cl)c1 2146470582 WEUJKRHMBGRMKT-DGFSRKRXSA-N 300.805 3.184 10 10 DGCE C[C@@H]1C[C@@H](NCc2c(O)cccc2F)CN1Cc1ccccc1 1976872306 FEYRZPGGKKVFDV-GDBMZVCRSA-N 314.404 3.284 10 10 DGCE NCCCN(Cc1ccccc1)c1ccc2c(c1)OCCCO2 1977736959 OKYAHJIFOWCLHP-UHFFFAOYSA-N 312.413 3.203 10 10 DGCE C[C@@H]1CC(F)(F)CN1c1ccc(CN)c(Br)c1 2004605888 RADBRTIVALSYQT-MRVPVSSYSA-N 305.166 3.142 10 10 DGCE C[C@@H]1SCCS[C@H]1c1noc(Cc2ccc(N)cc2)n1 161939582 AJYRSIIIBXMLKR-TVQRCGJNSA-N 307.444 3.152 10 10 DGCE CSCC1CN(c2ccc([C@H](C)N)c(Br)c2)C1 1998189867 HNDRWSBELSOQBL-VIFPVBQESA-N 315.280 3.268 10 10 DGCE CO[C@@H](C)CCN(C)Cc1cccc(Br)c1O 2009689222 IFXZWDLYLRUIBW-JTQLQIEISA-N 302.212 3.012 10 10 DGCE C[C@@H]1CN(Cc2ccccc2)CCN1c1ccc2c(c1)CC[C@H]2O 2012705221 MJAHKJSAARZAQO-IIBYNOLFSA-N 322.452 3.377 10 10 DGCE Cc1ccc(O)c([C@H](C)Nc2c(Br)cnn2C)c1 2038257199 KOALNQRJKWMGCA-VIFPVBQESA-N 310.195 3.370 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)Cc2cccc(Br)c2)C1 403705710 VXKKMHQIJLJSTF-LBPRGKRZSA-N 323.194 3.293 10 10 DGCE COCCN(c1ccc([C@H](C)N)c(Cl)c1)[C@@H]1CCSC1 2170140859 PLEHHRQTCPRNNO-WCQYABFASA-N 314.882 3.318 10 10 DGCE C[C@@]12CN(Cc3ccccc3)C[C@@H]1CN(Cc1ccc(N)cc1)C2 702079468 BDJMNSCQEQRETF-CTNGQTDRSA-N 321.468 3.223 10 10 DGCE Oc1cc(Br)ccc1CNCC[C@@H]1CCSC1 704869985 XFNRALBZQOIYAJ-SNVBAGLBSA-N 316.264 3.388 10 10 DGCE C[C@@H]1CCC[C@@H](CNCc2c(O)cccc2Br)O1 706805335 ZEJPEBPYBJNBKJ-MNOVXSKESA-N 314.223 3.202 10 10 DGCE C[C@H](NCc1ccncc1Br)c1cc(O)ccc1O 686561979 BOWZYVDAQVWIGW-VIFPVBQESA-N 323.190 3.106 10 10 DGCE CCc1nn(Cc2cccc(F)c2O)c(C(F)F)c1[N+](=O)[O-] 2079016029 FEGVYLZKBNMDSQ-UHFFFAOYSA-N 315.251 3.184 10 10 DGCE CCc1nn(Cc2ccc(OC)cc2O)c(N)c1C(C)(C)C 2079607961 PUARKJNWKOWDPS-UHFFFAOYSA-N 303.406 3.088 10 10 DGCE C[C@@H](O)c1ccc(N(C)C[C@@]2(C)CSCCO2)cc1Cl 2201226172 GZPBYEVJSANWAE-ABAIWWIYSA-N 315.866 3.352 10 10 DGCE CCCOc1ccccc1C=C1C(=O)N(C)N=C1C(F)(F)F 2332133164 JVKVRQFPKPSAGA-UHFFFAOYSA-N 312.291 3.249 10 10 DGCE CO[C@@H]1CCC[C@H]1NCc1ccc(C)c(Br)c1O 2327620239 BCLGUILZQMROQL-VXGBXAGGSA-N 314.223 3.120 10 10 DGCE Nc1ccc(N2CCN(Cc3cccc(Cl)c3)CC2)cc1 53996640 FCMBRZHFQVDAMS-UHFFFAOYSA-N 301.821 3.244 10 10 DGCE C[C@H](N)c1ccc(N2CCSCC2)c(Br)c1 61694578 WQYQNYQKVBWZHX-VIFPVBQESA-N 301.253 3.022 10 10 DGCE COc1cc(Cl)cc(CNCc2nc3ccccc3[nH]2)c1O 76274337 TWLCFYHDDGJHPV-UHFFFAOYSA-N 317.776 3.220 10 10 DGCE C[C@@H]1CN[C@H](C2CC2)CN1c1ccc(OC(F)(F)F)cc1 86178798 IYXSQZMYNAABIG-YGRLFVJLSA-N 300.324 3.162 10 10 DGCE O=C(O)[C@@H]1CCC[C@H]1CNCc1cc(Cl)cc(Cl)c1O 89446623 HRIKPOWFQDRLBY-GZMMTYOYSA-N 318.200 3.290 10 10 DGCE Cc1cc(O)ccc1C(=O)NCc1c(O)ccc2c1CCCC2 154351460 OCCIIUDPNOLUAQ-UHFFFAOYSA-N 311.381 3.215 10 10 DGCE O=C(/C=C/c1cncc(F)c1)N1CCc2c(F)cc(F)cc21 171741237 SYTQDUYUQKBHKM-OWOJBTEDSA-N 304.271 3.101 10 10 DGCE C[C@H](N)c1ccc(N(C)CC(F)(F)F)cc1Br 235488853 XINKQVWZKIVZJT-ZETCQYMHSA-N 311.145 3.467 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@]2(C)C[C@H]3CC[C@H]2O3)cc1 250120529 IOPOTNPXQOENAE-ZHALLVOQSA-N 316.445 3.107 10 10 DGCE C[C@H](N[C@@H]1CCN(Cc2ccccc2)C1)c1c(O)cccc1O 303994671 ULMVBUUIUXWULA-GOEBONIOSA-N 312.413 3.023 10 10 DGCE N#Cc1ccc(NCc2cccc(O)c2O)cc1Br 382159035 HHDWYVIAZKCLJY-UHFFFAOYSA-N 319.158 3.344 10 10 DGCE CCN(C[C@@H](C)OC)c1ccc([C@H](C)N)c(Br)c1 383208791 IZHRWIREQGKTMR-MNOVXSKESA-N 315.255 3.330 10 10 DGCE C[C@H](C1CC1)N(Cc1ccccc1)c1ccc2c(c1)NC(=O)[C@H]2N 385517953 SKVYDLJPMRNQIM-YJYMSZOUSA-N 321.424 3.444 10 10 DGCE CC[C@H]1C[C@@H](N(C)Cc2cccc(Br)c2O)CO1 711183175 VLBOMSMMDZOUSP-NEPJUHHUSA-N 314.223 3.154 10 10 DGCE CC[C@@H](NCc1cnoc1)c1cc(Br)ccc1O 718826562 LVALGIRSLMUFMB-GFCCVEGCSA-N 311.179 3.384 10 10 DGCE Cc1cccc(CN[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c1O 721879812 IYJCJUKDGXZOMG-HIFRSBDPSA-N 320.433 3.046 10 10 DGCE COc1ccc(O)c(CNC(=O)NCC[C@@H]2CCC[C@H](C)C2)c1 734670006 CZVUDYUSVLWPDV-KBPBESRZSA-N 320.433 3.416 10 10 DGCE COC(=O)c1nc(N[C@H](C)c2ccc(N(C)C)cc2)sc1C 764892877 QAWFXBJCXUKUQU-SNVBAGLBSA-N 319.430 3.477 10 10 DGCE CC[C@@H]1[C@@H](C)CCN1c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] 772258979 WEVLMXIXGDZQPI-PIEIZJNZSA-N 318.373 3.406 10 10 DGCE COc1cccc2c1N(C(=O)/C=C/c1cnccc1C)CCC2 783891506 OHSGCFWGERIKAU-CMDGGOBGSA-N 308.381 3.391 10 10 DGCE Cc1c(Cl)c(CN[C@H](C)c2ccc(N(C)C)cc2)nn1C 817410864 UJWBUPWYYKLHAE-LLVKDONJSA-N 306.841 3.299 10 10 DGCE Cc1cc(Cl)cc(CN2CC3(CCNCC3)C[C@H]2C)c1O 818431970 YOSJBJMTJICLGU-CYBMUJFWSA-N 308.853 3.318 10 10 DGCE CN1CCCc2cc(CNC(=O)N[C@@H]3CC[C@H]4C[C@H]4C3)ccc21 826019517 HNOZNRQWDSHBKF-BHYGNILZSA-N 313.445 3.057 10 10 DGCE COc1ccc2c(c1)N(C(=O)/C=C\c1cccnc1C)C[C@H](C)O2 826562393 LONOACGZPHRAPE-XURPKSDJSA-N 324.380 3.226 10 10 DGCE C[C@H](F)CCNC(=O)N(Cc1ccco1)Cc1ccccc1O 838619178 KPDONKHDWXKLAL-ZDUSSCGKSA-N 320.364 3.445 10 10 DGCE Cc1cc(O)c(CN(C)CCCn2ccnc2C)c(Cl)c1 840948882 MGKUGYHARAFXHG-UHFFFAOYSA-N 307.825 3.381 10 10 DGCE Fc1cc(CNCC2CCC(F)CC2)ccc1N1CCOCC1 842780612 XTBONXAPWVYVDD-UHFFFAOYSA-N 324.415 3.280 10 10 DGCE C[C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C[C@@H]1C(=O)O 843040135 GRAVLDIXAATMNM-YJBOKZPZSA-N 316.445 3.220 10 10 DGCE CCN(CC)c1ccc(CN(C)C2C[C@@H]3CC[C@H](C2)N3)cc1 843046955 IRXMZJZFBKNAOG-JJTKIYQPSA-N 301.478 3.248 10 10 DGCE Cc1cc(C(=O)N[C@@H]2CC[C@H]3C[C@@H]3C2)c(C)n1-c1ccccn1 844108128 RWUXSRXOZYKUNE-ARFHVFGLSA-N 309.413 3.408 10 10 DGCE C=C/C(C)=C\CC(=O)N(C)CCN(C)c1ccc(OC)cc1 846441873 FHUOJGHWRDLFQX-CHHVJCJISA-N 302.418 3.112 10 10 DGCE Cc1cc(CN[C@@H]2C[C@H](O)C23CCC3)ccc1N1CCCCC1 852580907 GDSHOUVDTGDHHH-MOPGFXCFSA-N 314.473 3.378 10 10 DGCE CCN(CC)c1ccc(CNC(=O)N2CC3CC2(C)C3)cc1F 853706409 JTCLYIHGRWNRPU-UHFFFAOYSA-N 319.424 3.366 10 10 DGCE C[C@H](N[C@H]1C[C@@H]2OC(C)(C)O[C@@H]2C1)c1ccc(N(C)C)cc1 927056112 RIKZWDWGBLNLDP-ZFZWDLNGSA-N 304.434 3.086 10 10 DGCE COc1ccc2c(c1)C[C@@H](C(C)C)CN2C[C@@H]1COC(C)(C)O1 1171353547 NDRUHDWWEYYMEC-NVXWUHKLSA-N 319.445 3.481 10 10 DGCE O=C(/C=C\Sc1ccccc1)NCc1c(O)cccc1F 1178413718 XTKZWMRUBJYHPE-KTKRTIGZSA-N 303.358 3.454 10 10 DGCE O=C(NCc1c(O)cccc1O)c1cc2cccc(Cl)c2o1 1304049696 DKJKVFYELGKVMW-UHFFFAOYSA-N 317.728 3.427 10 10 DGCE Cc1ccc(F)c(CCNC(=O)NCc2c(O)cccc2F)c1 1312705145 ITKNGRQQWNZLIF-UHFFFAOYSA-N 320.339 3.021 10 10 DGCE Cc1ccc(C(=O)N[C@H](C)c2ccccc2O)cc1[N+](=O)[O-] 1454792482 DIPCCCHCFRRUBD-LLVKDONJSA-N 300.314 3.100 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2cc(-c3ccccc3)no2)c1 1640796705 MCQYCXVVEGEJRH-UHFFFAOYSA-N 308.337 3.286 10 10 DGCE Cc1nc2cc(NC(=O)c3c(F)ccc(O)c3O)ccc2s1 1641881347 MWSIHTRNJMOKAM-UHFFFAOYSA-N 318.329 3.407 10 10 DGCE CCOC[C@H](NCc1cc(Cl)cc(C(C)=O)c1O)C(C)C 1653554305 CVJAORINKDPHQF-HNNXBMFYSA-N 313.825 3.399 10 10 DGCE C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)N(C)Cc1ccc(N(C)C)cc1 1687605764 PBJZWQPTDQBQNY-KCMWZYNZSA-N 315.461 3.186 10 10 DGCE CC[C@@H]1CCCCN1/N=N/c1ccc2c(c1)OCC(=O)N2C 1860487971 XLIQDYDEPZASRG-OYLHUBKDSA-N 302.378 3.305 10 10 DGCE CC(C)(C)OC(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1O 1887599718 GLKJPNIHEVOEOG-ZDUSSCGKSA-N 323.389 3.300 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](COc3ccc(N)cc3)[C@@H]2C1 1897886885 DWFVAPFWMVMMAK-ARFHVFGLSA-N 318.417 3.151 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN(C(=O)c2coc(Br)c2)C1 1912144410 SNGGXBLEQVKEKT-MRVPVSSYSA-N 313.155 3.205 10 10 DGCE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)[C@@H](N)c1ccccc1O 1928474955 RZRVAULCUBSEFG-CQDKDKBSSA-N 308.422 3.331 10 10 DGCE CCN[C@@H](c1ccccc1O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1937073020 RMXXGGSOUWAMBJ-DVOMOZLQSA-N 320.433 3.346 10 10 DGCE COc1ccc(N(C)[C@@H]2CC[C@H]2OCc2ccccc2)c(N)c1 1939610504 JLOHIOCSEZEXED-RTBURBONSA-N 312.413 3.461 10 10 DGCE C[C@H]1CCN(c2ccc(CO)cc2Br)C[C@H]1F 1946883668 XIEQFRIQOSMFGR-JOYOIKCWSA-N 302.187 3.126 10 10 DGCE Cn1ccc2c([C@H]3[C@H](N)CCN3C(=O)OC(C)(C)C)cccc21 1952356188 OQBOPFAWLYFTOA-ZBFHGGJFSA-N 315.417 3.188 10 10 DGCE CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(N)cc1 1959570370 GSQVPDHCSWYUKN-HNNXBMFYSA-N 305.422 3.105 10 10 DGCE CCN(CC)c1ccc([C@@H](N)[C@H](C)NC(=O)OC(C)(C)C)cc1 1977940825 GVWVKTAVOAXDHD-BBRMVZONSA-N 321.465 3.446 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccccc2N)[C@H]1C1CC1 1991052574 IPJBWCJFTMSSBQ-JKSUJKDBSA-N 317.433 3.469 10 10 DGCE CN(C)c1ccc([C@@H](N)c2nscc2Br)cc1 1999511073 ATOVIMFJUQVUJM-LLVKDONJSA-N 312.236 3.020 10 10 DGCE Oc1c(Br)cccc1CN1CCCC[C@H]1CF 2004482572 SHAAWSBAYZOCDK-NSHDSACASA-N 302.187 3.479 10 10 DGCE C[C@@H](N)c1ccc(N2CC(C)(CF)C2)c(Br)c1 2008692008 NAUKLOQVCBGFRG-SECBINFHSA-N 301.203 3.265 10 10 DGCE CN(C)c1ccc([C@@](C)(O)c2ccnn2Cc2ccccc2)cc1 2024736716 JAEAOZMNJDTRFI-HXUWFJFHSA-N 321.424 3.253 10 10 DGCE O=C(O)C=Cc1ccc(N2CC=C(F)C2)cc1Br 2046137539 NXKWTMJCEWGSKL-UHFFFAOYSA-N 312.138 3.220 10 10 DGCE COc1cccc(Cn2nc(C3(C)CC3)c(C3CC3)c2N)c1O 2079772634 OYOIZMJTCRZLIY-UHFFFAOYSA-N 313.401 3.157 10 10 DGCE CCN[C@H](c1ccc2c(c1)CCN2C)[C@H]1CSCCS1 2163080063 RPLDENSNSHZSKI-HZPDHXFCSA-N 308.516 3.178 10 10 DGCE CN(C[C@](C)(F)C(F)(F)F)c1c(F)cc(CN)cc1F 2191870458 ZPGXZSVYSXYUFZ-NSHDSACASA-N 300.246 3.150 10 10 DGCE CSc1ncc(CN[C@@H]2CS[C@H](C(F)(F)F)C2)s1 2208881582 FXNKBMFWSPUELH-XPUUQOCRSA-N 314.423 3.391 10 10 DGCE COCCCN(Cc1ccccc1)c1ccc(OC)cc1CN 2211284971 KBOOSWKAORAVNU-UHFFFAOYSA-N 314.429 3.197 10 10 DGCE COc1ccc(Br)c(CN2C[C@@H](C)C[C@@H]2C)c1O 2220488554 CJONWSNCWHMIRB-UWVGGRQHSA-N 314.223 3.394 10 10 DGCE CN(Cc1ccccc1O)C(=O)c1cocc1Br 2258146551 FAFKSWSDQBYJHA-UHFFFAOYSA-N 310.147 3.020 10 10 DGCE O=C1NC(=S)SC1=Cc1ccccc1OC1CCCC1 2297388461 LJECKKIRMGQCMQ-UHFFFAOYSA-N 305.424 3.497 10 10 DGCE O=C1NC(=S)SC1=Cc1ncc(-c2ccccc2)s1 2306255233 UTBHPAJSXMIVII-UHFFFAOYSA-N 304.421 3.299 10 10 DGCE Oc1ccc(OC(F)(F)F)cc1CNCc1nccs1 2361042858 BRVCCIRPLOCJKH-UHFFFAOYSA-N 304.293 3.037 10 10 DGCE CCCN[C@](CSc1nccs1)(C(=O)O)[C@H]1CC1(C)C 2366585634 IMBCJVNNHYKIOP-HZMBPMFUSA-N 314.476 3.104 10 10 DGCE C[C@H](c1ccccc1O)N(C)C(=O)c1cc(Br)c[nH]1 37996716 MUKYVBXZURRROM-SECBINFHSA-N 323.190 3.316 10 10 DGCE Cc1cc(C(=O)N2CCO[C@H](C)C2)c(C)n1-c1ccccc1F 42659684 MFFRXOPUQJVFBH-CYBMUJFWSA-N 316.376 3.094 10 10 DGCE C[C@H]1CN(c2ccc([C@H](C)N)cc2Br)C[C@H](C)O1 109566170 POUXBMCNMNWGDM-DCAQKATOSA-N 313.239 3.082 10 10 DGCE CCOc1ccc(NC(=O)[C@H](C)Cc2ccc(O)c(O)c2)cc1 170245126 QYANZDIZDHKKBW-GFCCVEGCSA-N 315.369 3.314 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)C(=O)Nc1ccc(N)cc1Cl 170245141 OHPPDDMIKKGBHA-SECBINFHSA-N 320.776 3.151 10 10 DGCE C[C@]1(C(=O)NCc2ccc3cccnc3c2O)C[C@H]2CC[C@H]1C2 529499974 CBKSEEFZTBOOFJ-ODYMNIRHSA-N 310.397 3.383 10 10 DGCE COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H]2CC23CC3)CCCC1 652466358 OHCBUIDRWCKVNS-GOSISDBHSA-N 324.424 3.197 10 10 DGCE C[C@H](O)c1ccc(N2CCO[C@@H](C(F)F)CC2)cc1Cl 687553563 NOUYXJBUVUJOFQ-TVQRCGJNSA-N 305.752 3.254 10 10 DGCE Cc1cc(CCNC(=O)C2=COCCC2)c(C)n1-c1ccccc1 730770163 WLYPSTNJNWOPRP-UHFFFAOYSA-N 324.424 3.447 10 10 DGCE COC(=O)/C=C\c1ccc(N2CCC(C)(C)C2)c([N+](=O)[O-])c1 742426347 YEUBUECSDKPPAY-ALCCZGGFSA-N 304.346 3.017 10 10 DGCE CN(CC1CC1)C[C@@H]1CCN(Cc2cc3c(cc2O)CCC3)C1 746381330 HPEUWCXYWBMMGF-INIZCTEOSA-N 314.473 3.045 10 10 DGCE COc1cc(C)cc(CN2CCCC3(CCOCC3)C2)c1O 754742721 YALWEIMUZAJUIK-UHFFFAOYSA-N 305.418 3.102 10 10 DGCE C[C@@H](NCc1nccn1CC(F)(F)F)c1cc(F)ccc1O 756539932 XINQUSWTVUSQHF-SECBINFHSA-N 317.286 3.141 10 10 DGCE CN(Cc1cc(Cl)cc(Cl)c1O)[C@H]1CCN(C2CC2)C1 769325893 CKVBCYGKJZZZPK-ZDUSSCGKSA-N 315.244 3.368 10 10 DGCE CC[C@@H](N[C@@H]1C[C@H]2CC[C@H]1N(C(=O)OC)C2)c1ccccc1O 818358658 AIKIZQHQQDTINO-DTZQCDIJSA-N 318.417 3.052 10 10 DGCE COc1cc(CN2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c(O)cc1C 840113467 BKCWSNAANRMTDV-GVDBMIGSSA-N 319.445 3.225 10 10 DGCE CC[C@H](NC[C@@H](C)N1C[C@H](C)O[C@H](C)C1)c1ccc(C)cc1O 848558469 QKHMLLKXOOVTTG-CBZIJGRNSA-N 320.477 3.239 10 10 DGCE CCc1cnc(CN[C@H]2CCN(c3ccc(OC)cc3)C2)s1 850347435 SCUURELEYLITEF-ZDUSSCGKSA-N 317.458 3.083 10 10 DGCE C[C@H](NCC12CC(CN1)C2)c1ccc(N2CCCCC2)c(F)c1 854228496 XIBQRINYXTYEBN-XVTSOASTSA-N 317.452 3.219 10 10 DGCE c1ccc([C@H](NCc2ccc3c(c2)CCCO3)c2nc[nH]n2)cc1 893559105 GWLKUJNGNDEMAJ-SFHVURJKSA-N 320.396 3.009 10 10 DGCE CC[C@H](NC[C@H]1CCC2(CCOCC2)O1)c1ccc(F)cc1O 927015944 RTKVIWWDSMNCFA-ZBFHGGJFSA-N 323.408 3.300 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@H]2CCC[C@@H]2OC)cc1F 1136730697 YPPDVCQUJUBJOV-YOEHRIQHSA-N 322.424 3.103 10 10 DGCE C[C@@H](Oc1ccccc1F)C(=O)NCc1cccc(Cl)c1O 1159033687 LWBOWZJTYYBAAZ-SNVBAGLBSA-N 323.751 3.268 10 10 DGCE CC[C@H](C)[C@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 1289599748 IHLIBVRCCZFOOB-MPGHIAIKSA-N 319.493 3.154 10 10 DGCE COc1cc2c(c(OC)c1)N(Cc1cc(Cl)n(C)n1)CCC2 1328868576 YZHHCRFBMFWDMA-UHFFFAOYSA-N 321.808 3.044 10 10 DGCE CCC(=O)NCC[C@@H](NCc1ccc(OC)c(C)c1)C(C)C 1331176298 IHSNLEJTUUCHFT-MRXNPFEDSA-N 306.450 3.034 10 10 DGCE CN1CCCc2cc(CNC(=O)c3onc4ccccc34)ccc21 1464521157 QQZSLUZEXKCMFO-UHFFFAOYSA-N 321.380 3.140 10 10 DGCE CON(C(=O)Cc1ccc(O)c(O)c1)[C@@H](C)c1ccccc1C 1468625367 YMRPWWIYAOPLMB-ZDUSSCGKSA-N 315.369 3.100 10 10 DGCE O=C(NCc1ccc2occc2c1)N1Cc2cccc(O)c2C1 1470743365 NNWSFSJTWUPEFK-UHFFFAOYSA-N 308.337 3.364 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C12CCC(CC1)C2(C)C 1528094484 JYPZZTCRRJZUNX-YXZFSOQLSA-N 317.429 3.361 10 10 DGCE CC1(C)CN(C(=O)Cc2ccc(O)c(O)c2)[C@H]1c1ccccc1 1542309118 ADLMKIQUFXIWLB-SFHVURJKSA-N 311.381 3.250 10 10 DGCE Cc1ccc(CCCC(=O)NCc2c(O)cccc2O)s1 1558533588 HWFHUVXNOBIHLY-UHFFFAOYSA-N 305.399 3.107 10 10 DGCE CN(C(=O)/C=C\c1ccc(O)c(O)c1)c1cccc2cccnc12 1567969783 OXWSJJSXFXQZQU-NTMALXAHSA-N 320.348 3.322 10 10 DGCE CC(C)Oc1ncccc1C(=O)NCc1cccc(Cl)c1O 1637227306 WDXGLXQPKOCGEQ-UHFFFAOYSA-N 320.776 3.158 10 10 DGCE O=C(/C=C\c1ccc(Cl)s1)NCc1ccc(O)cc1O 1638357797 VGPXBUIYNIEDCB-XQRVVYSFSA-N 309.774 3.142 10 10 DGCE C/C(=C/c1cccc(Cl)c1)C(=O)NCc1cccc(O)c1O 1643813207 YYMHUXQQWAEKMQ-FLIBITNWSA-N 317.772 3.471 10 10 DGCE Cc1nc(C(C)(C)C)sc1C(=O)NCc1cc(O)ccc1O 1651222722 NTMVBORMYLORBQ-UHFFFAOYSA-N 320.414 3.090 10 10 DGCE CCCN(c1ccc([C@@H](C)N)cc1Br)C1COC1 1915643465 KRHVIXSRTXRRRH-SNVBAGLBSA-N 313.239 3.084 10 10 DGCE C[C@@H](NCc1cc(Br)ccc1O)[C@H]1CCSC1 1942252756 BCORUQYWIBDHOU-ZJUUUORDSA-N 316.264 3.386 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccccc2N)C12CC2 1959350572 FGSJOBSANSCVFF-CQSZACIVSA-N 303.406 3.223 10 10 DGCE C[C@H]1CCN(c2ccc(N)cc2)C[C@@H]1NC(=O)OC(C)(C)C 1959564704 GXJCNJTWKOTGOT-WFASDCNBSA-N 305.422 3.008 10 10 DGCE CO[C@@H]1[C@@H](NCc2c(O)cccc2Br)CC1(C)C 1974289797 KKQSBULOGVSKPX-WCQYABFASA-N 314.223 3.058 10 10 DGCE C[C@H]1CCN(Cc2ccccc2)CCN1c1ccc(CO)cc1 1990935852 MNJXAZHDGBVXAU-KRWDZBQOSA-N 310.441 3.280 10 10 DGCE C[C@@H](Nc1c(Br)cnn1C)c1cc(F)ccc1O 2038255605 PSHGRWNZAXHYCY-SSDOTTSWSA-N 314.158 3.200 10 10 DGCE CN(C[C@@H]1C[C@@H]2C[C@@H]2C1)c1ccc(CO)c(Br)c1 2045549784 KOCKHTXVSGQXAZ-UOJUARBOSA-N 310.235 3.424 10 10 DGCE CCOC(=O)c1cc(CC)nn1[C@@H](C)c1cccc(C)c1O 2069884177 SYLMQLFYQCKVAK-LBPRGKRZSA-N 302.374 3.246 10 10 DGCE O=Cc1c(C2CC2)nn(Cc2cc(F)ccc2O)c1C(F)F 2079141170 YVJDYZIXQIUYDD-UHFFFAOYSA-N 310.275 3.404 10 10 DGCE CN1CCc2cc([C@@H](O)[C@H](N)c3ccc(Cl)s3)ccc21 2147648846 JQHKPIBSTQEQOF-HUUCEWRRSA-N 308.834 3.127 10 10 DGCE N[C@]1(c2ccc(N3CCCC3)cc2)CCCC2(CC1)OCCO2 2163137911 IDHXZVPTGJMBLK-GOSISDBHSA-N 316.445 3.148 10 10 DGCE C[C@@H](N)c1ccc(N(C)[C@@H](CCO)C(F)(F)F)cc1Cl 2178510083 CHORKKHUCWAPON-PELKAZGASA-N 310.747 3.109 10 10 DGCE CCOC(=O)[C@@](CSc1nccs1)(NC(C)C)C(C)C 2207863399 WNCJHFQWGOLVCN-AWEZNQCLSA-N 316.492 3.191 10 10 DGCE CN(Cc1nscc1Br)c1ccc(CN)cc1 2214473071 GVGAPXZTXJLNQB-UHFFFAOYSA-N 312.236 3.001 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]2CCCN(CCCN=[N+]=[N-])[C@H]2C1 2245454334 KGTCXGIMKJTYNT-KBPBESRZSA-N 323.441 3.408 10 10 DGCE CCCN(C[C@@H](C)O)c1ccc([C@H](C)O)c(Br)c1 2259664662 TXKIMLSGXRZRBD-MNOVXSKESA-N 316.239 3.100 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@H]1CCCN(C2CC2)C1 2288798237 XCPGZZFGGRRXHE-LBPRGKRZSA-N 315.244 3.415 10 10 DGCE CSC1(CNCc2ccc(C)c(Br)c2O)CC1 2307477308 LCCADVKNUZTPQI-UHFFFAOYSA-N 316.264 3.448 10 10 DGCE Cc1ncc(C=CC(=O)N2C[C@H](C)Oc3c(F)cccc32)s1 2309903633 CINRGTNIEOBDCR-JTQLQIEISA-N 318.373 3.418 10 10 DGCE Oc1ccc(Br)cc1CN1CC[C@@](F)(C(F)F)C1 2315877634 JVSXGTUJBMZQFI-LBPRGKRZSA-N 324.140 3.334 10 10 DGCE Nc1ccc(C[S@](=O)Cc2ccccc2Br)cc1 2318742958 IKEKOEGLIVXALI-SFHVURJKSA-N 324.243 3.480 10 10 DGCE CC[C@](C)(CNCc1ccc(C)c(Br)c1O)OC 2327618880 OLQGDHXXAMDHGO-CQSZACIVSA-N 316.239 3.368 10 10 DGCE Cc1ccc(CN(C)C(=O)[C@H]2C[C@@H]2C)c(O)c1Br 2327627232 SZJPQQUJZCLSHJ-ONGXEEELSA-N 312.207 3.078 10 10 DGCE C[C@H](NCc1cc(OC(F)(F)F)ccc1O)C(F)(F)F 2361022786 RVGDXUKIXVJQEZ-LURJTMIESA-N 303.202 3.331 10 10 DGCE O=C(Cc1ccccc1F)NCc1ccc(N2CC=CC2)cc1 101236077 BODHJUCYBXDZNV-UHFFFAOYSA-N 310.372 3.061 10 10 DGCE C[C@H](CCNCc1ccc(N(C)C)cc1)NC(=O)OC(C)(C)C 222088413 CSGKYOQAIAVHQW-CQSZACIVSA-N 321.465 3.146 10 10 DGCE CN[C@@H]1C(=O)Nc2cc(N(C)[C@H](C)c3cccs3)ccc21 251297921 YCZHIYKDJSJFSP-BMIGLBTASA-N 301.415 3.158 10 10 DGCE CN1CCCc2cc(/C=C\c3nc(O)c4ccncc4n3)ccc21 255029223 SVYBIKKXTLMFTI-ALCCZGGFSA-N 318.380 3.283 10 10 DGCE Oc1ccc(Br)cc1CN[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 300585044 ILTXCGJCAALADQ-LRQZZLGCSA-N 308.219 3.289 10 10 DGCE Cc1cccc(CN2CC[C@H](OCc3c(C)noc3C)C2)c1O 368050735 HKZCYJSBMPCOAV-INIZCTEOSA-N 316.401 3.097 10 10 DGCE CCCNCc1ccc(N2C[C@H]3C[C@@H]3C2)c(Br)c1 379546308 FZGLJLFLTTURPN-CHWSQXEVSA-N 309.251 3.405 10 10 DGCE O=C(O)[C@@]12C[C@H]1C[C@@H](NCc1cc(Cl)cc(Cl)c1O)C2 712937101 KKSRKURNKYKCTQ-PJCOJXEDSA-N 316.184 3.042 10 10 DGCE O=[N+]([O-])c1ccc(NC(=S)NNc2cccc(F)c2F)cc1 743006237 YTLCXBNUNJYXLJ-UHFFFAOYSA-N 324.312 3.187 10 10 DGCE Cc1cc(O)c(CNC2(C(=O)Nc3ccccc3)CC2)cc1C 778218144 PASSEVCOGNYXJK-UHFFFAOYSA-N 310.397 3.270 10 10 DGCE C[C@@H](NCC1(C)OCCCO1)c1cccc(C(F)(F)F)c1O 788783731 NVMVHACNPJQCRQ-SNVBAGLBSA-N 319.323 3.215 10 10 DGCE CCC[C@H](C)C(=O)NCc1cc(Br)ccc1O 804736385 UQLAKZNAETTXSE-VIFPVBQESA-N 300.196 3.207 10 10 DGCE CCN(CC)c1ccc(CN2CC[C@@H]3COC[C@H]3C2)cc1F 827596228 WVBMVRSVMUGGJI-HZPDHXFCSA-N 306.425 3.140 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)C[C@H](C)[C@H]1CCCO1 830141341 RENAMLZQJHNNLM-WMLDXEAASA-N 305.418 3.336 10 10 DGCE CCCN1CC[C@@H](CNC/C=C\c2ccc(N(C)C)cc2)C1 835034566 BLNSVELDHAVOJA-XFHJGTJQSA-N 301.478 3.087 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@@H]2CCC[C@@H]3OCC[C@@H]32)cc1 835043390 QHVBJSIISJQZTA-IBMHEYTHSA-N 300.446 3.313 10 10 DGCE CCC[C@@H](C)[C@H](CO)NCc1cc(Br)ccc1O 846016805 JTCOTISKRLTAQO-MFKMUULPSA-N 316.239 3.041 10 10 DGCE C[C@@H](NCC1CCC(O)CC1)c1cc2c(cc1O)CCCC2 850554049 HIQNPKDUHHNWLT-TUBUQKNSSA-N 303.446 3.473 10 10 DGCE CC(C)[C@](C)(CC(=O)O)NC/C=C\c1ccc(N(C)C)cc1 901817751 MNOVBWQJPGHJRC-MJRGOJFPSA-N 304.434 3.245 10 10 DGCE CC[C@H](NCc1nc(CN(C)C)cs1)c1ccc(C)cc1O 903220598 PYAMNPKCBAYHPY-HNNXBMFYSA-N 319.474 3.460 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2COC(C)(C)C2)cc1 1134807123 XBEGSMYMHHBEQV-INIZCTEOSA-N 312.413 3.391 10 10 DGCE CN(Cc1ccc2cc[nH]c2c1)C(=O)/C=C\c1ccc(O)c(O)c1 1152822745 CMHRFICCLAWATJ-DAXSKMNVSA-N 322.364 3.251 10 10 DGCE CCc1cncc(C(=O)NCc2c(O)ccc3ccccc23)c1 1157041996 SAUKMGMQHSQSJL-UHFFFAOYSA-N 306.365 3.433 10 10 DGCE O=C(/C=C\c1ccc(O)cc1)NCc1cc(Cl)ccc1O 1165498609 PESUNVKCIGPJSD-BAQGIRSFSA-N 303.745 3.081 10 10 DGCE c1ccc2c(c1)CCO[C@@H]2CNCc1ccc2c(c1)CCCO2 1177816330 KXGIRSQNKLJEDM-HXUWFJFHSA-N 309.409 3.415 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)N[C@@H]1C[C@H]1c1ccccc1 1227470005 FYAXKJNHFKLTMG-LSDHHAIUSA-N 316.788 3.401 10 10 DGCE CCON(Cc1ccccc1)C(=O)/C=C\c1ccc(O)c(O)c1 1299057438 WMFVLARRSUHGNG-LUAWRHEFSA-N 313.353 3.091 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[C@@H](OC)C1 1321309245 BYPBXYFXXVCCJV-HZPDHXFCSA-N 320.433 3.271 10 10 DGCE CC(C)Cc1coc(NC(=O)c2ccc(N=NC(N)=O)cc2)n1 1457104040 QUBUGSLFUWVCOC-UHFFFAOYSA-N 315.333 3.288 10 10 DGCE CCOC(=O)[C@@H]1C[C@H]1CSc1ncc(-c2ccccc2)n1C 1458853954 BESGMGDFJPDFCR-UONOGXRCSA-N 316.426 3.378 10 10 DGCE Cc1ccc(C(=O)NC[C@H]2CSc3ccccc32)c(O)c1O 1468353908 YMOQIQGSCVEOCM-NSHDSACASA-N 315.394 3.026 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)CCC2CCC2)cc1 1527596362 WWAJRHYATYJEAX-UHFFFAOYSA-N 304.434 3.170 10 10 DGCE CC(C)(CCC(=O)NCc1cccc(O)c1O)c1ccccc1 1528771811 ZRQLEELBYDIHDS-UHFFFAOYSA-N 313.397 3.472 10 10 DGCE COc1ccc(N(C)CCN(C)CC2C[C@H]3[C@H](C2)C3(F)F)cc1 1619655970 CKNVPQCDUWBYTN-IRXDYDNUSA-N 324.415 3.355 10 10 DGCE CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NCc1cc(O)ccc1O 1643882187 PVAYOMBIWUOXHI-NUTKFTJISA-N 321.417 3.088 10 10 DGCE CSc1ccc(C)c(C(=O)NCc2c(O)cccc2F)c1 1645048517 YRHDXROAHQICCK-UHFFFAOYSA-N 305.374 3.492 10 10 DGCE C[C@@H](CC(=O)NCc1c(O)ccc2ccccc12)[C@H]1CCCO1 1652709055 TZRJJHWNDAHEEA-SCLBCKFNSA-N 313.397 3.367 10 10 DGCE COC(=O)/C=C/c1ccc(N(C)[C@@H](C)C2(C)CC2)c([N+](=O)[O-])c1 1655223615 GVVYHJXWBNBIOF-WMADIVHISA-N 318.373 3.406 10 10 DGCE COc1ccc(CNC[C@H](C)NC(=O)[C@@H](C)C(C)(C)C)cc1C 1699408944 NYYAMXKOOFJEFZ-LSDHHAIUSA-N 320.477 3.280 10 10 DGCE Nc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCCN3)cc2)cc1 1866039112 RDGIOEPVRIDTAG-KRWDZBQOSA-N 311.385 3.142 10 10 DGCE CN(c1ccc(CO)c(Cl)c1)C1CCP(C)(=O)CC1 1879110391 XRBDEXLDOHGEFQ-UHFFFAOYSA-N 301.754 3.424 10 10 DGCE c1ccc(COc2ccc(N3CC[C@@H]4NCC[C@H]4C3)cc2)cc1 1899862549 ULBJTWKIWYPHBS-PXNSSMCTSA-N 308.425 3.454 10 10 DGCE [N-]=[N+]=NC1CN(C(=O)C2(c3ccc(Br)cc3)CC2)C1 1912171432 KHUSDXVEUBLUPS-UHFFFAOYSA-N 321.178 3.002 10 10 DGCE CC(C)(O)CCN(Cc1ccccc1)c1ccc(CN)cc1F 1915738450 CNOFJJLOXFVVJL-UHFFFAOYSA-N 316.420 3.452 10 10 DGCE C[C@H](OCc1ccccc1)C(=O)N1CCC[C@H](N=[N+]=[N-])CC1 1934380093 BCOPCVPCGYCPTB-ZFWWWQNUSA-N 302.378 3.283 10 10 DGCE OCc1ccc(N2CCN(Cc3ccccc3)C3(CCC3)C2)cc1 1947786243 IGZXRWBEPUBPOC-UHFFFAOYSA-N 322.452 3.424 10 10 DGCE Cc1cc(O)c([C@H]2C(=O)CCN2C(=O)OC(C)(C)C)cc1C 1952913505 ZBTDVUQSNUEEMF-HNNXBMFYSA-N 305.374 3.260 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H](Nc2ccc(N)cc2)CC1(C)C 1959351192 KTWSMTFQULXKST-AWEZNQCLSA-N 305.422 3.469 10 10 DGCE C[C@@H](NCc1cc(Br)cc(F)c1O)[C@@H]1CC1(F)F 1972721620 YUYLFWOHLXSKTE-MUWHJKNJSA-N 324.140 3.427 10 10 DGCE CN1CCc2cc([C@@H](O)CCCNCc3ccccc3)ccc21 1977938913 MKAAHGRPANXJMT-FQEVSTJZSA-N 310.441 3.282 10 10 DGCE C[C@H](C[C@@H](O)c1ccc(N(C)C)cc1)N(C)C(=O)OC(C)(C)C 1977939093 NUKGMHMDSDEYTG-CZUORRHYSA-N 322.449 3.432 10 10 DGCE O=C(C=Cc1cnn(-c2ccccc2)c1)N1CCc2ccccc21 2040482164 JNNXZFOJPNUHSK-UHFFFAOYSA-N 315.376 3.475 10 10 DGCE Nc1cccc(Br)c1N[C@@H]1CCN(C2CCC2)C1 2050392903 FUNKICGSOYPNBK-SNVBAGLBSA-N 310.239 3.070 10 10 DGCE CCc1nn(Cc2ccc(C)cc2O)c(C(F)F)c1C(=O)O 2078908093 JQYSPBHKSROCFU-UHFFFAOYSA-N 310.300 3.144 10 10 DGCE CN(C)c1ccc([C@@H](O)c2cc(N)ccc2Br)cc1 2106801755 PPDAEYGISTUUGT-OAHLLOKOSA-N 321.218 3.179 10 10 DGCE Oc1cccc(Br)c1CNc1cccn2ccnc12 2120561528 PLNJENXCSKAKDH-UHFFFAOYSA-N 318.174 3.415 10 10 DGCE CCc1nsc(CN(C)c2ccc([C@H](C)N)c(Cl)c2)n1 2288838083 XEKXVMURWJLAPV-VIFPVBQESA-N 310.854 3.410 10 10 DGCE Cc1ccc(CN[C@@H]2CCS[C@@H]2C)c(O)c1Br 2307477302 LARJWHGPGPFFFQ-MWLCHTKSSA-N 316.264 3.447 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)N1CCC[C@@H]1C1CCCC1 2307986597 KWOWRFDFHDNWRK-OAHLLOKOSA-N 301.386 3.292 10 10 DGCE Oc1cccc(Br)c1CN[C@@H]1C[C@@H]2C[C@H]1[C@@H]1C[C@H]21 2309577355 BWJHHUAOTGDHOF-FPFACLPRSA-N 308.219 3.289 10 10 DGCE COc1ccc(Br)cc1[C@@H](O)Cc1ccc(N)cc1 2339202745 MNJCNHNRGGRQTD-AWEZNQCLSA-N 322.202 3.316 10 10 DGCE CNCCC[C@@H](C)N(C)c1c(Cl)cc(OC)cc1OC 2368291410 WIZSACCZFUBASF-LLVKDONJSA-N 300.830 3.182 10 10 DGCE CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(\C)NCc1cccnc1 13519788 MTWXOCJSVBQRMV-SFQUDFHCSA-N 324.359 3.007 10 10 DGCE CC[C@H](Oc1ccc(N)cc1)C(=O)c1ccc2c(c1)OCCO2 40354240 UBPXZMPEOKPKKF-HNNXBMFYSA-N 313.353 3.080 10 10 DGCE CCOc1ccc2c(=O)n(CCOc3ccc(N)cc3)ccc2c1 57879255 IRCSJMFORFAPBN-UHFFFAOYSA-N 324.380 3.061 10 10 DGCE COc1cccc(CN2Cc3ccccc3N(C)C[C@H]2C)c1O 93637203 BAEAVWFZFJWAHP-CQSZACIVSA-N 312.413 3.241 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)c2cccn2C2CC2)c1 182507708 YLCMTPWMVIIONV-LLVKDONJSA-N 300.358 3.028 10 10 DGCE Cc1ccc(O)c([C@@H](C)NC2CCN(CCOC(C)C)CC2)c1 185637149 QRCZQQSRWLGZSV-MRXNPFEDSA-N 320.477 3.241 10 10 DGCE C[C@H](N)c1ccc(N2CC[C@@]3(O)CCCC[C@H]3C2)c(Cl)c1 250905061 QCYSPHKLACSKSJ-JDFRZJQESA-N 308.853 3.491 10 10 DGCE COc1ccc2c(c1)CCCCN2Cc1ncnn1C(C)C 279682547 GSTOXLOMGDFBTB-UHFFFAOYSA-N 300.406 3.211 10 10 DGCE Oc1cc(OCc2ccccc2)ccc1CN[C@@H]1CCCOC1 290095666 HKIHIRISBAKXFT-QGZVFWFLSA-N 313.397 3.240 10 10 DGCE C[C@@H](NCc1cnn(Cc2ccccc2)c1)c1ccc(O)cc1O 390417253 NAZDAZCSLMNUPH-CQSZACIVSA-N 323.396 3.193 10 10 DGCE Cc1cccc(CN[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1O 398005259 GRDZMXAUVPVJRG-VQIMIIECSA-N 310.441 3.453 10 10 DGCE Cc1cc(S(=O)(=O)N2CCC[C@@H]2CN=[N+]=[N-])sc1Cl 703194047 UBZWQJGRICKSLY-MRVPVSSYSA-N 320.827 3.173 10 10 DGCE CC(C)NCc1cc(F)c(N(C)CC2CSC2)c(F)c1 718225669 URQRWLDRQMQLBK-UHFFFAOYSA-N 300.418 3.262 10 10 DGCE Cc1cc(O)nc(CN(Cc2ccccc2O)C2CCCC2)n1 761872939 HCMPEFSONHBCLC-UHFFFAOYSA-N 313.401 3.141 10 10 DGCE COc1ccc(O)c([C@H](C)Nc2ncncc2Br)c1 765489079 KUAMONVPHBFZEC-QMMMGPOBSA-N 324.178 3.126 10 10 DGCE Cc1cc(Cl)cc(CNCC2(CO)CC3(CCC3)C2)c1O 789756453 DTVVLIQFXZKBFC-UHFFFAOYSA-N 309.837 3.386 10 10 DGCE COc1cc(NCc2ccccc2O)c(OC)c(C)c1OC 793389936 HCYHIMXYHPZXGL-UHFFFAOYSA-N 303.358 3.339 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CSC1(C)C 802529961 KKFNKGAKCIFXQI-HNNXBMFYSA-N 321.490 3.178 10 10 DGCE CN(C)c1ccc2c(c1)CN(C(=O)CC1CCCC1)CCO2 827967897 NWWKUOGXLQPPHG-UHFFFAOYSA-N 302.418 3.054 10 10 DGCE Cc1nccn1C[C@H](C)CNC/C=C\c1ccc(N(C)C)cc1 835035522 IVWCBYFTQRORQC-OGZRUICASA-N 312.461 3.197 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@@H]2CCO[C@H](C3CC3)C2)cc1 835046719 MGROWFYTGGKNDS-NIJUFFONSA-N 300.446 3.313 10 10 DGCE CC(C)n1cnnc1CN(C)C/C=C/c1ccc(N(C)C)cc1 835052631 IAPMJYXYKANMGT-VOTSOKGWSA-N 313.449 3.070 10 10 DGCE C[C@H]1CN(Cc2cccc(F)c2O)c2cc(F)ccc2CN1 841046459 BDLWHSVYOUSTSN-NSHDSACASA-N 304.340 3.169 10 10 DGCE CN1CCC[C@@H](NC(=O)Nc2ccc(N)cc2)c2ccccc21 841299228 XFIGUGHYEHAXAZ-MRXNPFEDSA-N 310.401 3.362 10 10 DGCE Oc1ccc2ccccc2c1CN1CCO[C@]2(CCSC2)C1 842622192 GRHZKRQZAWMPNS-GOSISDBHSA-N 315.438 3.253 10 10 DGCE COc1ccc(N2CCC(N[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)cc1 842780031 WNWHLPKBIXDRAK-BFYDXBDKSA-N 300.446 3.442 10 10 DGCE COc1ccc(N(C[C@H]2CN(C3CC3)C(=O)O2)C(C)C)cc1F 844306200 GXPDSSKTRHBUDS-AWEZNQCLSA-N 322.380 3.032 10 10 DGCE C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1CC1(C)C 850406458 HFYNLTPYFPCXFK-KBXCAEBGSA-N 302.462 3.172 10 10 DGCE Cc1cc(Cl)cc([C@H](C)N[C@@H]2C[C@H](C)n3ncnc32)c1O 850499205 LFQTULAYMMKGOZ-OUJBWJOFSA-N 306.797 3.302 10 10 DGCE CC(C)N(CCO[C@H]1CC1(F)F)Cc1ccc(N(C)C)cc1 851732257 NCGSITARHDPFQH-INIZCTEOSA-N 312.404 3.387 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1COC[C@@H]1C1CC1 914433243 MKPJQNZZJUSCJD-DGCLKSJQSA-N 302.201 3.214 10 10 DGCE O=C(NCc1c(O)cccc1F)N[C@H]1C[C@H](c2ccccc2)C1 922323991 VDCCICHHKLVCAV-HDJSIYSDSA-N 314.360 3.277 10 10 DGCE COc1ccc(N2CCCN(C[C@H](CC(C)C)OC)CC2)cc1 1167108308 ORASONCRQYRTKT-IBGZPJMESA-N 320.477 3.268 10 10 DGCE O=C(NCc1c(O)cccc1O)[C@H]1CCC[C@@H]1c1ccccc1 1178912696 WTAMIMCAJRDGRO-CABCVRRESA-N 311.381 3.298 10 10 DGCE Cc1cc(CN2C[C@@H](O)[C@H](Cc3ccccc3)C2)ccc1N(C)C 1308148722 SQDNULRPMJQBFM-TZIWHRDSSA-N 324.468 3.096 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc2c1COCC2 1350533885 BBGPMRLZBZKROY-UHFFFAOYSA-N 324.424 3.098 10 10 DGCE CCOCC1(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)CC1 1351163124 MOSHUZDODISOAQ-UHFFFAOYSA-N 316.445 3.062 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H]2c2ccccc2)cc1 1441395005 BGAXABPBRFITJG-OAHLLOKOSA-N 308.341 3.436 10 10 DGCE Cc1ncccc1/C=C/C(=O)N1C[C@@H](C)Oc2c(F)cccc21 1459125075 NWPAMABUAMCOQF-IDVQTMNDSA-N 312.344 3.356 10 10 DGCE Cn1cc(/C=C\C(=O)N2CCCCc3cc(Cl)ccc32)cn1 1461611633 KGZHTPNOPUPPIO-YVMONPNESA-N 315.804 3.456 10 10 DGCE O=C(NOCc1ccccc1)c1cc2cc(O)c(O)cc2s1 1463934166 IQABGOLDTQNDCI-UHFFFAOYSA-N 315.350 3.174 10 10 DGCE C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)NCc1cccc(Cl)c1O 1471348765 BDNCKNWUUYZAGI-LPTSXCQYSA-N 308.809 3.137 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)c1 1557340419 KGQCALRRVOHMPA-SUMDDJOVSA-N 324.424 3.452 10 10 DGCE CC/C(C)=C/C(=O)NCC[C@@H](C)NCc1ccc(OC)c(C)c1 1567214034 JFISKJWGRSUFTR-WSYSLRRZSA-N 318.461 3.344 10 10 DGCE C=Cc1ccc(CCNC(=O)c2ccc(N=NC(N)=O)cc2)cc1 1628223493 VJUQCNXIYIOYFK-UHFFFAOYSA-N 322.368 3.465 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2scnc2C(F)(F)F)c1 1645805138 TYALZNHKBZCDPS-UHFFFAOYSA-N 316.304 3.106 10 10 DGCE COc1ccc(O)c([C@@H](C)Nc2ncc([N+](=O)[O-])cc2F)c1 1655107259 OVCCESGOOOPATC-MRVPVSSYSA-N 307.281 3.016 10 10 DGCE Cc1cc(C)cc(NC(=O)CCNCc2cc(C)ccc2O)c1 1857853156 KLDUOIWKUQCRAB-UHFFFAOYSA-N 312.413 3.436 10 10 DGCE CCc1ccnc(CNCc2ccc(Br)cc2O)c1 1912376669 AYMKIIZHXILRLX-UHFFFAOYSA-N 321.218 3.402 10 10 DGCE CCn1ccnc1CN(C)Cc1cc(Br)ccc1O 1913381009 UPSSKTQNEVNQFQ-UHFFFAOYSA-N 324.222 3.003 10 10 DGCE C[C@H](NCc1c(O)cccc1Br)[C@H]1CCSC1 1942257838 ZVLMVDCRACKZOR-UWVGGRQHSA-N 316.264 3.386 10 10 DGCE CN(C(=O)OC(C)(C)C)[C@H]1CCCN(CCCCN=[N+]=[N-])C1 1962300071 PCJYKSAGMVRQKZ-ZDUSSCGKSA-N 311.430 3.408 10 10 DGCE Oc1cc(Br)ccc1CNCC1(CF)CCC1 1974143411 JRMVMUAYLQJDIU-UHFFFAOYSA-N 302.187 3.384 10 10 DGCE C[C@@H](CC[C@@H](O)c1ccc(N(C)C)cc1)NC(=O)OC(C)(C)C 1977939970 UJJFKTIOLLUOBI-XJKSGUPXSA-N 322.449 3.479 10 10 DGCE CN[C@@H](CNC(=O)OC(C)(C)C)c1ccc(N2CCCC2)cc1 1977941089 JLWIEXYUUMYBGP-INIZCTEOSA-N 319.449 3.072 10 10 DGCE CN(C)c1ccc([C@@H](N)[C@H]2CCN(Cc3ccccc3)C2)cc1 1988156970 BYUKVIPRAXVJTN-AZUAARDMSA-N 309.457 3.275 10 10 DGCE Cc1ccc(CNC(C)(C)CCNC(=O)OC(C)(C)C)c(O)c1 1994456038 GBPISCNDGXJCJV-UHFFFAOYSA-N 322.449 3.484 10 10 DGCE CN(C)c1ccc([C@H](N)[C@H]2CC[C@@H]2NC(=O)OC(C)(C)C)cc1 1994869333 VOKIDXMOCNXDDX-JYJNAYRXSA-N 319.449 3.056 10 10 DGCE Oc1ccc(Br)cc1CN1C[C@H](F)C[C@@H](F)C1 2011415604 SVBRAFSTQKGDRN-GHMZBOCLSA-N 306.150 3.037 10 10 DGCE CO[C@H]1CN(Cc2cc(Br)ccc2O)CC1(C)C 2032404593 AULWVDRCXUYHAZ-ZDUSSCGKSA-N 314.223 3.012 10 10 DGCE CC[C@@H](O)CN(CC)c1ccc([C@H](C)O)c(Br)c1 2044544196 QRVUPAWASILPFZ-CMPLNLGQSA-N 316.239 3.100 10 10 DGCE CNCc1ccc(N2CC(F)(F)C[C@@H]2C)c(Br)c1 2051997411 IRHOSTVSFHKMJI-VIFPVBQESA-N 319.193 3.402 10 10 DGCE C[C@H](O)c1ccc(N2C[C@H](F)C[C@@H](F)C2)cc1Br 2062395798 CYFZIGGNVLXEJJ-IVZWLZJFSA-N 320.177 3.389 10 10 DGCE CN1CCC[C@@H]1CCC(=O)NCc1c(O)ccc2ccccc12 2063309744 PJUXWLQTLPXBKN-OAHLLOKOSA-N 312.413 3.036 10 10 DGCE Oc1ccc(Br)cc1CNC[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32 2070859065 SMPWNMHDIRFVRW-XELZYWMFSA-N 308.219 3.146 10 10 DGCE CCc1c(C(F)(F)F)nn(Cc2cc(Cl)ccc2O)c1N 2079827402 NIWGPUSSYMCHKJ-UHFFFAOYSA-N 319.714 3.454 10 10 DGCE C[C@H]1C[C@@H](C)N(Cc2cc(Cl)cc(Cl)c2O)CCN1 2108181644 KEHYBQSRCBWIMG-VHSXEESVSA-N 303.233 3.271 10 10 DGCE NC[C@@]12CC[C@@H]1CCCN2Cc1cc(Cl)cc(Cl)c1O 2145603014 CYSBZDAULHFOFG-NHYWBVRUSA-N 315.244 3.402 10 10 DGCE C[C@@H]1CN(c2cc(Cl)c(CN)cc2F)CC(C)(C)CO1 2177383917 SBOQKYVAJWDGJP-SNVBAGLBSA-N 300.805 3.189 10 10 DGCE COCCNCc1ccc(N(C)CP(C)(C)=O)c(Cl)c1 2198578249 VGUITXWUFOLPAH-UHFFFAOYSA-N 318.785 3.092 10 10 DGCE Cc1cc([C@@H](C)N)ccc1N1CC(N(C)Cc2ccccc2)C1 2212701585 LGMSZHXTWGPRDH-MRXNPFEDSA-N 309.457 3.335 10 10 DGCE C[C@H](NCCc1cc(Br)no1)c1ccccc1O 2221473875 XLCSOEWOMFOIGJ-VIFPVBQESA-N 311.179 3.036 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@](F)([C@H](N)c2ccccc2O)C1 2243008932 PHKSFIIAEONHBM-RHSMWYFYSA-N 324.396 3.131 10 10 DGCE COC[C@@]1(C)C[C@H]1CNCc1cc(Cl)cc(Cl)c1O 2269291151 LXLPCXQXDOEZME-IINYFYTJSA-N 304.217 3.461 10 10 DGCE C[C@]12CC[C@@H]3c4cc(O)c(O)c(O)c4CC[C@H]3[C@@H]1CCC2=O 31540062 JHMKRVZOGMNBGV-HIONPOMWSA-N 302.370 3.229 10 10 DGCE Cc1ccc2nc(C(=O)O)c(/N=N\c3ccc4c(c3)OCO4)n2c1 71590142 UAFNRTGRJDFCOR-HNENSFHCSA-N 324.296 3.485 10 10 DGCE CC[C@@H](C)CN(CC)c1cc2c(cc1Cl)[C@H](NC)C(=O)N2 93251312 BHOAGDRWDCNYSP-BMIGLBTASA-N 309.841 3.425 10 10 DGCE C[C@H](CC1CC1)N[C@H](C)c1ccc(N2CCC(O)CC2)cc1 164279265 PDGASQYPRLIYFD-HUUCEWRRSA-N 302.462 3.487 10 10 DGCE C[C@H](N[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c1cc(O)ccc1O 381660622 AIFLIQNHYBLCTO-UTUOFQBUSA-N 324.421 3.050 10 10 DGCE Cc1ccc(O)c(CNCc2ccn(Cc3ccccc3)n2)c1 389943746 OUSTZOWSNNVXKD-UHFFFAOYSA-N 307.397 3.235 10 10 DGCE CC[C@@H](C)N(CCOC)Cc1c(O)cccc1Br 707157037 ZIPPXHYOVJNWHV-LLVKDONJSA-N 316.239 3.402 10 10 DGCE O=C(O)/C=C/c1ccc(N2C[C@H]3CSC[C@H]3C2)c(Cl)c1 711573179 KJGDFNVBPUWZOT-IOHUUBCKSA-N 309.818 3.237 10 10 DGCE CCNCc1ccc(N2C[C@H](F)[C@@H](F)C2)c(Br)c1 714700616 UJAPIXXISGJKOU-RYUDHWBXSA-N 319.193 3.055 10 10 DGCE O=C(NCc1ccccc1O)[C@@H]1C[C@H]1c1cccc(Cl)c1 748345385 BEXUKTVUWBREDF-LSDHHAIUSA-N 301.773 3.466 10 10 DGCE C[C@H](N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1ccc2ccccc2c1O 756731088 DKYCWHASYRCSJD-ZFHGCVPZSA-N 324.424 3.205 10 10 DGCE COCc1cnc(CN[C@H](C)c2ccc(N(C)C)cc2)s1 775362495 HMZWYWOMZKRRFY-GFCCVEGCSA-N 305.447 3.206 10 10 DGCE Oc1cc2c(cc1CN1CCO[C@@H](Cc3ccccc3)C1)CCC2 776294738 VCWQCIOHNNCGRP-FQEVSTJZSA-N 323.436 3.324 10 10 DGCE CC[C@@H]1OCC[C@H]1C(=O)N(C)Cc1ccc(N(CC)CC)cc1 794852661 PBOOLGPRMQPWDO-MSOLQXFVSA-N 318.461 3.306 10 10 DGCE C[C@H](N[C@@H]1COc2ccc(F)cc2C1)c1cc(F)ccc1O 808728060 MMBXTNQVGZSORP-HZMBPMFUSA-N 305.324 3.325 10 10 DGCE C[C@H](N[C@H]1CCNC[C@@H]1C)c1ccc(N2CCCCC2)c(F)c1 817970766 DQZWUQGHIMECKJ-MPGHIAIKSA-N 319.468 3.465 10 10 DGCE C[C@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)[C@H]1C(=O)O 818631805 QSDSHUFRZLKUBY-MAUKXSAKSA-N 316.445 3.362 10 10 DGCE COc1ccc(N2CCCN(CCC[C@@H]3CCOC3)CC2)cc1 827802238 CULRWJWGQZHOPC-QGZVFWFLSA-N 318.461 3.024 10 10 DGCE Cc1cc(O)c(CN2CC[C@@H](N3CCCCC3)C2)c(Cl)c1 840913868 KFDZLVATXKNRLC-CQSZACIVSA-N 308.853 3.414 10 10 DGCE C[C@H](NCc1cc(Cl)ccc1O)[C@@](C)(O)c1ccccc1 846039716 REIIPMROSBTYCO-YVEFUNNKSA-N 305.805 3.431 10 10 DGCE Cc1ccc(O)c([C@@H](C)NC[C@@]2(CO)CCc3ccccc32)c1 846181535 ZSVJUXTVLXNTHA-FOIQADDNSA-N 311.425 3.228 10 10 DGCE C[C@H](NCc1ccc(N(C)C)c(F)c1)[C@@H]1C[C@H](C(=O)O)C1(C)C 848640624 SOKPKQDCFZXYKG-FPMFFAJLSA-N 322.424 3.117 10 10 DGCE COc1ccnc(CN[C@H](C)c2ccc(N(C)C)cc2)c1F 850536110 CKQIGMHCAAXDRY-GFCCVEGCSA-N 303.381 3.146 10 10 DGCE COc1ccc(O)c([C@@H](C)NCc2c(C3CCC3)cnn2C)c1 850550292 MJYZVOWAWSDGGF-GFCCVEGCSA-N 315.417 3.253 10 10 DGCE CCOc1ccc(CNCC[C@@H]2CC2(Cl)Cl)c(O)c1 856806829 JIUDTVRQUVMLTP-LLVKDONJSA-N 304.217 3.464 10 10 DGCE CCOC(=O)C1=CC[C@H](N[C@H](CC)c2ccc(C)cc2O)C1 858508727 OPDLDEJURATYJE-GOEBONIOSA-N 303.402 3.393 10 10 DGCE Cc1ccnc(N)c1CNCc1ccc(N2CCC(C)CC2)cc1 894249936 BOHQPHUOTQFPRV-UHFFFAOYSA-N 324.472 3.498 10 10 DGCE Cc1cc(CN2CCCC[C@H]2[C@H]2CCNC2)ccc1N(C)C 923365135 UALFGMBVYOKIOP-HKUYNNGSSA-N 301.478 3.025 10 10 DGCE Cc1ccc(O)c([C@@H](C)NC[C@]2(C(F)(F)F)CCCN2)c1 925855851 PROGJTOGTTXADC-RISCZKNCSA-N 302.340 3.036 10 10 DGCE Cc1cc(CCN[C@H](C)c2ccc3ccccc3c2O)nn1C 926910542 LRXZIYUBXUQBKM-CQSZACIVSA-N 309.413 3.481 10 10 DGCE CN(C[C@@H]1C[C@H]2COC[C@H]2O1)c1ccc(-c2nccs2)cc1 930709816 IJDPOEDNKYMSGC-CWRNSKLLSA-N 316.426 3.050 10 10 DGCE CCN(CC)c1ccc(CNC(=O)c2cc(C)cnc2F)cc1 1125235102 KFCSCKNMWSUKJL-UHFFFAOYSA-N 315.392 3.305 10 10 DGCE Cc1cccc(-n2c(C)cc(CNC(=O)[C@@H]3C[C@H]3F)c2C)c1 1132043734 LVUYQOZUPQEWNT-IAGOWNOFSA-N 300.377 3.377 10 10 DGCE O=C(CCc1ccc(Cl)s1)NCc1ccc(O)cc1O 1142533626 OEDXHJLHJPSUHY-UHFFFAOYSA-N 311.790 3.062 10 10 DGCE Cc1ccn(C[C@H](C)C(=O)NCc2c(O)ccc3ccccc23)n1 1157049642 BLNFVDDXFYHXBB-ZDUSSCGKSA-N 323.396 3.003 10 10 DGCE C[C@@H]1c2sccc2CCN1C(=O)/C=C/c1ccc(O)c(O)c1 1176441450 QPDPKJUNBRHBJY-JOAKQRRISA-N 315.394 3.318 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)CC1CCOCC1 1525106231 ANQMYKMEAASIAY-UHFFFAOYSA-N 316.445 3.062 10 10 DGCE CN(C)c1ccc(CNC(=O)[C@@H]2CC[C@H]3C[C@H]3CC2)cc1F 1528618995 GZLDZWCSOGIKEE-QDMKHBRRSA-N 304.409 3.334 10 10 DGCE CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)Cc2ccc(O)c(O)c2)C1 1625727834 CNTQPBVQRWRNNV-SCLBCKFNSA-N 303.402 3.068 10 10 DGCE O=C(NCc1ccc(O)c(O)c1)c1ccc(-c2cccs2)o1 1630273948 YQGIFLGDFIACHL-UHFFFAOYSA-N 315.350 3.349 10 10 DGCE CC(C)N1CCC[C@@H]1C(=O)NCc1c(O)ccc2ccccc12 1635969294 OEXAOBKGCPNJHI-QGZVFWFLSA-N 312.413 3.034 10 10 DGCE CCN(C)c1ccc(CN2Cc3c[nH]nc3CC(C)(C)C2)cc1 1655206085 OTBJHNHMKYTQBE-UHFFFAOYSA-N 312.461 3.450 10 10 DGCE COc1ccc(CNC[C@H](C)CNC(=O)[C@@H](C)C(C)C)cc1C 1715260790 YIBPNDGEZRPBCR-HOCLYGCPSA-N 320.477 3.138 10 10 DGCE COc1ccc(CNC[C@@H](C)CNC(=O)[C@@H](C)C(C)C)cc1C 1715260798 YIBPNDGEZRPBCR-ZBFHGGJFSA-N 320.477 3.138 10 10 DGCE CCCCOc1cccnc1NC(=O)Oc1ccc(N)cc1 1858689021 QLCXIXYRNCMKEA-UHFFFAOYSA-N 301.346 3.454 10 10 DGCE Cc1nc(C)c([C@H](C)NCc2cc(Br)ccc2O)[nH]1 1893353178 NDODHWINQIJYCQ-QMMMGPOBSA-N 324.222 3.345 10 10 DGCE Nc1ccc(NC(=O)OCCCOCc2ccccc2)cc1 1910531734 NNJVGASUQIQOCC-UHFFFAOYSA-N 300.358 3.424 10 10 DGCE N[C@@]1(c2ccccc2O)CCc2cc(Br)ccc21 1920443646 HEQIMHHQQOVKMZ-HNNXBMFYSA-N 304.187 3.303 10 10 DGCE CC1(C)COCC[C@H]1NCc1c(O)cccc1Br 1962972357 OPEPXWXKTYNIAZ-CYBMUJFWSA-N 314.223 3.059 10 10 DGCE C[C@H]1C[C@@H](C)N(c2ccc(N)cc2)CCN1C(=O)OC(C)(C)C 1978641732 HJVYVPKDUOKRRH-KGLIPLIRSA-N 319.449 3.493 10 10 DGCE C[C@H]1[C@H](NCc2ccc(F)cc2O)CCN1C(=O)OC(C)(C)C 1994524404 KCOWUGDHTWOILK-SMDDNHRTSA-N 324.396 3.019 10 10 DGCE C[C@@H](O)c1ccc(N2CCC[C@@H]2CF)c(Br)c1 2004455641 PLSRAXMYVKRFAG-MWLCHTKSSA-N 302.187 3.441 10 10 DGCE CCNCc1ccc(N2C[C@@H](F)[C@H](C)C2)cc1Br 2035298216 WPWPFULNTRZYAH-QMTHXVAHSA-N 315.230 3.353 10 10 DGCE COC1(CN(C)c2ccc([C@@H](C)N)cc2Br)CC1 2048922420 HTFPYHWAXCTHQP-SNVBAGLBSA-N 313.239 3.084 10 10 DGCE COC[C@@]1(C)CCN1c1ccc([C@H](C)O)cc1Br 2055907909 ADXREZAIEJCIOP-IINYFYTJSA-N 314.223 3.118 10 10 DGCE COc1ccc([C@H](C)n2nc(C3CCCC3)cc2CO)c(O)c1 2070172889 CFXTXYYQLFSSEX-LBPRGKRZSA-N 316.401 3.357 10 10 DGCE CCNCc1ccc(N(C)CC2(Br)CC2)c(C)c1 2076246448 WWRWWBYUDBMZML-UHFFFAOYSA-N 311.267 3.468 10 10 DGCE COc1ccc(Cn2nc(C3(C)CC3)c(C(C)C)c2N)c(O)c1 2079718509 WQUMTOGDZNTZJJ-UHFFFAOYSA-N 315.417 3.403 10 10 DGCE CC[C@@H](c1cc(C)c(C)cc1O)n1nc(C(C)C)c(CN)c1N 2079970248 PKODKHBFDPRAFE-HNNXBMFYSA-N 316.449 3.369 10 10 DGCE CN[C@@H](C)c1ccc(N2CC=C[C@@H]2CF)c(Br)c1 2082869859 BEGIYPUCRJQCKC-CMPLNLGQSA-N 313.214 3.444 10 10 DGCE C[C@]12CC[C@H]1CN(c1cc(Br)c(CN)cc1F)C2 2086877107 JDNYNIWAHYIASI-IINYFYTJSA-N 313.214 3.283 10 10 DGCE Oc1ccc(Cl)cc1CNc1cnn(CC(F)(F)F)c1 2169396902 GMYVDLUHQZPTCI-UHFFFAOYSA-N 305.687 3.417 10 10 DGCE C[C@H](N)c1ccc(N2CCS[C@H]3COCC[C@H]32)cc1Cl 2170485889 HBAHKDDKIYQFNT-VQISRLSMSA-N 312.866 3.070 10 10 DGCE CC(C)N[C@]1(C(=O)O)C[C@@H](Sc2nccs2)CC[C@@H]1C 2175748335 YUIXOFFQVRSOPB-COPLHBTASA-N 314.476 3.245 10 10 DGCE CN1CCCc2cc(CNC[C@]3(Cl)CC3(F)F)ccc21 2205573383 NVVLFMQYBRBMOR-CQSZACIVSA-N 300.780 3.175 10 10 DGCE CSc1ncc(CNCc2nc3ccccc3n2C)s1 2208449361 SNBMIEQFABWVOL-UHFFFAOYSA-N 304.444 3.042 10 10 DGCE C[C@@H](c1ccccc1O)N(C)c1nc(Br)cn1C 2219458277 IEXBXBGYGQINFG-VIFPVBQESA-N 310.195 3.086 10 10 DGCE C[C@H](O)c1ccc(N2CC[C@@H]3C[C@@]3(F)C2)c(Br)c1 2222656522 CJEQQWRLDBTDJW-DRCTWCGVSA-N 314.198 3.441 10 10 DGCE Cc1cc([C@@H](C)N)ccc1N1CCS[C@H](C(F)(F)F)C1 2240754954 BIVKSQMVEJCVDN-MFKMUULPSA-N 304.381 3.499 10 10 DGCE Cc1cc(O)c([C@H](C)N(C)[C@H](C)C[S@@](C)=O)cc1Cl 2270973192 IOMWOPNKNRWSMF-RMDKCXRXSA-N 303.855 3.114 10 10 DGCE Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)s2)cc1 2295010726 HCOYOPPCISLCGV-UHFFFAOYSA-N 300.305 3.279 10 10 DGCE CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1c(C)n[nH]c1C 2313548356 TVMKGDQFQXCTQA-UHFFFAOYSA-N 323.400 3.362 10 10 DGCE Cc1ccc(CNc2ncccc2N)c(O)c1Br 2327587118 VGJKHVBOCKQJOZ-UHFFFAOYSA-N 308.179 3.052 10 10 DGCE COC(=O)C[C@H](N[C@@H](C)c1ccccc1O)c1cccs1 37076609 OYFSFYOIMDGXPI-AAEUAGOBSA-N 305.399 3.409 10 10 DGCE Nc1ccc(CCC(=O)NCc2cc3c(s2)CCC3)cc1 40624960 IABDOODPAWAELA-UHFFFAOYSA-N 300.427 3.068 10 10 DGCE CC(C)N(CCO)c1c(F)cc(CNC(C)(C)C)cc1F 62737588 WASPSXUVONVYND-UHFFFAOYSA-N 300.393 3.060 10 10 DGCE O=S(=O)(Nc1ccc(O)cc1Cl)c1ccc(F)c(F)c1 70334298 MWBBCVGLOXMLHE-UHFFFAOYSA-N 319.716 3.125 10 10 DGCE O=C1Nc2ccccc2/C1=C/c1nccn1Cc1ccccc1 79350785 FOELVYPPTNPIFA-VBKFSLOCSA-N 301.349 3.424 10 10 DGCE COc1ccc(CN(C[C@@H]2CCCO2)C2CCCC2)c(O)c1 93666233 WVLFYSZWCXKUHB-KRWDZBQOSA-N 305.418 3.324 10 10 DGCE CC[C@@H](N[C@H]1CCCOC1)c1cc(Br)ccc1O 109543686 RCWFITFJZSMEBD-WCQYABFASA-N 314.223 3.374 10 10 DGCE O=C1Cc2cc(NCc3cccc(F)c3O)c(Cl)cc2N1 164967909 LSJVQBJBQQKMEH-UHFFFAOYSA-N 306.724 3.291 10 10 DGCE COc1ccc(O)c(CN(C)[C@@H](C)Cc2ccc(O)cc2)c1 180192694 JFVDWNVAETVTAZ-ZDUSSCGKSA-N 301.386 3.169 10 10 DGCE C[C@H](N[C@H](C)c1cc(F)ccc1O)c1ccc2c(c1)CC(=O)N2 185108567 ZERRTQAUBVNHCI-WDEREUQCSA-N 314.360 3.438 10 10 DGCE Cc1ccc(O)c([C@@H](C)NCc2cn(C)nc2C(F)(F)F)c1 186151609 KDZQQAKPWPXDDP-SNVBAGLBSA-N 313.323 3.304 10 10 DGCE C[C@@H](NCC1(C)OCCCO1)c1ccc(N2CCCCC2)cc1 190660857 NUWWBMNJSGJUFS-MRXNPFEDSA-N 318.461 3.481 10 10 DGCE Nc1ccc(NC(=S)NCCc2ccccc2Cl)cc1 220057896 GLGQXJJSSZIGGJ-UHFFFAOYSA-N 305.834 3.451 10 10 DGCE COc1ccc(NC(=S)Nc2ccc(N)cc2)c(OC)c1 242418250 BIKFTXXTZNCPRN-UHFFFAOYSA-N 303.387 3.095 10 10 DGCE CN1C[C@H](N(C)c2ccccc2)c2c(Cl)cccc2[C@H]1CN 250603682 KSGRKYPHTUCUGB-SJORKVTESA-N 315.848 3.463 10 10 DGCE CCOc1ccc(O)c(CN[C@@H]2CCO[C@@H](C(C)(C)C)C2)c1 270606062 BRSAUIUNORJHCH-RHSMWYFYSA-N 307.434 3.474 10 10 DGCE Oc1cc2c(cc1CNCc1ccc(C3CC3)cc1F)OCO2 291740638 OUFVCHRRSKDEIU-UHFFFAOYSA-N 315.344 3.427 10 10 DGCE CCOc1ccc(O)c(CN2CC3(CCOCC3)[C@@H]2C2CC2)c1 293580030 HRAALBIQYKLWDQ-SFHVURJKSA-N 317.429 3.182 10 10 DGCE C[C@H]1CN(Cc2ccccc2)CCN(c2ccc(CN)cc2)C1 323374182 FHYIAWYVLQSKOI-KRWDZBQOSA-N 309.457 3.104 10 10 DGCE Cc1cc(O)c(CN[C@@H](c2ccccc2)c2nc[nH]n2)cc1C 369019465 YGIMSTUBCVGIOO-KRWDZBQOSA-N 308.385 3.006 10 10 DGCE CNCc1ccc(N2C[C@H]3[C@@H](C2)C3(C)C)cc1Br 379547649 HIXOVPRLVXIBJW-BETUJISGSA-N 309.251 3.261 10 10 DGCE NCc1ccc(N2C[C@@H]3CCCC[C@@H]32)c(F)c1Br 706787589 ZNQCOMDTNURYNP-QWRGUYRKSA-N 313.214 3.426 10 10 DGCE CN(CCCCCCN)Cc1c(O)cccc1Br 710778877 CMBZRXJEZRTJEC-UHFFFAOYSA-N 315.255 3.106 10 10 DGCE O=C(OCc1ccn(-c2ccc(F)cc2)n1)c1cc(O)cs1 745002788 QWMAFOQYQMPWNU-UHFFFAOYSA-N 318.329 3.136 10 10 DGCE CCc1nc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)cs1 756555652 UHCZRVOFTGVIIL-VIFPVBQESA-N 307.375 3.170 10 10 DGCE CCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2C)SC1=S 757917880 SFRAZAQOIJNBGR-YRNVUSSQSA-N 308.384 3.124 10 10 DGCE CN1CCCc2cc(CNC(=O)N[C@@H]3CC34CCCC4)ccc21 758544236 IPPXJAIWUWKIFE-QGZVFWFLSA-N 313.445 3.201 10 10 DGCE CCc1cc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)no1 775636896 XVSRXMCGEPLYGZ-LLVKDONJSA-N 302.378 3.186 10 10 DGCE C[C@H](NC[C@@H](O)c1cc(F)ccc1F)c1ccc(N(C)C)cc1 775838395 YEIXMIUVVOYVPY-KPZWWZAWSA-N 320.383 3.415 10 10 DGCE COC1CCN(Cc2cc(C)cc(Br)c2O)CC1 781894043 DPMICAAKYIZFRZ-UHFFFAOYSA-N 314.223 3.074 10 10 DGCE CO[C@H]1CCCN(Cc2cc(C)cc(Br)c2O)C1 781895768 DKTQBGXVEPJNJR-LBPRGKRZSA-N 314.223 3.074 10 10 DGCE O=C(NCc1cc(Br)ccc1O)c1ccsc1 804736561 XRIVJVMTFCKJOT-UHFFFAOYSA-N 312.188 3.146 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)NCCC1(F)CCC1 806045673 JBPOUFVBABFMNC-UHFFFAOYSA-N 307.413 3.143 10 10 DGCE COc1cc(O)c(CNC[C@H]2CC23CCSCC3)cc1OC 817410326 LBNDPXBWEMQLQX-CYBMUJFWSA-N 323.458 3.032 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)C[C@H](C)[C@@H]1CCCO1 830141343 RENAMLZQJHNNLM-YOEHRIQHSA-N 305.418 3.336 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@H](CO)c2ccsc2)cc1 835045860 DXTJIUVDJCYQKE-CWIOURORSA-N 302.443 3.151 10 10 DGCE Cc1cc(O)c(CN2CCC[C@H](c3ncc[nH]3)C2)c(Cl)c1 840911137 QQTLBSURCCPKNF-LBPRGKRZSA-N 305.809 3.457 10 10 DGCE Cn1ncc(C2CCC2)c1CNCc1c(O)cccc1Cl 850391197 IIYHZMCJZPYMBM-UHFFFAOYSA-N 305.809 3.336 10 10 DGCE COC(=O)c1ccc(O)c([C@H](C)N[C@@H](C)c2cscn2)c1 850511335 CHLFDHNLUMEDBN-UWVGGRQHSA-N 306.387 3.047 10 10 DGCE C[C@@H]1C[C@@H](NCCO[C@@H]2CC2(F)F)c2c(O)ccc(F)c21 850521245 RZPLKHXSAKPTGX-HLUHBDAQSA-N 301.308 3.093 10 10 DGCE CC[C@@H](C(=O)NCc1cc(C)ccc1O)c1c(C)noc1C 862758535 CAMMNUDNOXELMV-CQSZACIVSA-N 302.374 3.115 10 10 DGCE COc1ccc(C2CC2)cc1CNC(=O)c1cc(O)cs1 881559458 STFVIXZDVXLAOK-UHFFFAOYSA-N 303.383 3.270 10 10 DGCE Cc1ccccc1C1=NO[C@H](C(=O)N[C@@H](C)c2ccccc2O)C1 913763971 XJDUQKQHVPHYHK-UGSOOPFHSA-N 324.380 3.071 10 10 DGCE C[C@@H](NC(=O)NCC1C[C@@H]2CC[C@H](C1)S2)c1ccccc1O 924325218 FWTYSICCATXIFS-RLAWYHOSSA-N 320.458 3.427 10 10 DGCE CN(C)c1ccc(CNC(=O)c2cc3ccncc3s2)cc1 1124480189 LHXHECZVXXHHAP-UHFFFAOYSA-N 311.410 3.292 10 10 DGCE C[C@H](C(=O)NCc1ccc2cccnc2c1O)c1ccccc1 1451952452 ITVKWXNOJJGWMK-ZDUSSCGKSA-N 306.365 3.360 10 10 DGCE O=C(c1ccc(-c2cnco2)cc1)N1Cc2cccc(O)c2C1 1455036278 FWQVRTYURFOGEX-UHFFFAOYSA-N 306.321 3.203 10 10 DGCE COc1cc2c(c(OC)c1)N(CC(F)(F)C(F)F)CCC2 1460249168 SECZYOGCSSVQLP-UHFFFAOYSA-N 307.287 3.357 10 10 DGCE COC1(CC(=O)N(C)Cc2ccc(N3CCCC3)cc2)CCC1 1523553610 MKZAFTOXNPNFAK-UHFFFAOYSA-N 316.445 3.204 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@]23C[C@H]2COC3(C)C)cc1 1532204170 FPEUZMKULFRTMW-OXJNMPFZSA-N 324.424 3.391 10 10 DGCE O=C(CCCc1ccccc1Cl)NCc1cc(O)ccc1O 1558175238 JGJGUGZLYWUKQD-UHFFFAOYSA-N 319.788 3.390 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N2CCC=C(c3ccco3)C2)cc1 1640456950 KSFCHTHZFLUKGH-UHFFFAOYSA-N 324.340 3.372 10 10 DGCE C=C/C(C)=C\CC(=O)N[C@H](C)CNCc1ccc(OC)c(C)c1 1699373531 GUIWXILMZNYIIK-ACQAZONXSA-N 316.445 3.120 10 10 DGCE CSc1cccc(/N=N/N2CCN(c3ncccn3)CC2)c1 1860487734 LIMWUHFPVQXYPE-VHEBQXMUSA-N 314.418 3.019 10 10 DGCE Oc1c(F)cc(Br)cc1CN[C@@H]1C(F)(F)C12CC2 1876225153 FSXVUTKMYCOHQW-JTQLQIEISA-N 322.124 3.181 10 10 DGCE NCc1ccc(N2CC3(CCCC3)C2)c(F)c1Br 1915817826 IBPIESCQOOQMOO-UHFFFAOYSA-N 313.214 3.427 10 10 DGCE Oc1ccc(Br)cc1CN[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21 1917459678 RNOJMAXUNVQNNH-XRPGEKKWSA-N 308.219 3.289 10 10 DGCE CN[C@H](CC[C@@H](C)NC(=O)OC(C)(C)C)c1ccccc1O 1928475178 VAUJFSNUPSGMJU-TZMCWYRMSA-N 308.422 3.346 10 10 DGCE CN[C@H](c1ccccc1O)[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C 1936987653 URYFKDAJPGRCDF-BJJXKVORSA-N 320.433 3.346 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](N)[C@H]1c1cccc(Cl)c1O 1952305230 WMOJZWAREMNOAY-NWDGAFQWSA-N 312.797 3.055 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H](F)[C@H]1c1ccc(N)cc1O 1953073902 LQTYCTVICQTFME-GXTWGEPZSA-N 310.369 3.385 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CNc1ccc(N)cc1 1959363841 LNPFISJUQFHBKJ-SWLSCSKDSA-N 305.422 3.374 10 10 DGCE C[C@@H]1CCCN(c2ccc(N)cc2)[C@@H]1CNC(=O)OC(C)(C)C 1977978063 HPINSQRQTCCNDV-CZUORRHYSA-N 319.449 3.398 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CN(CCCCN=[N+]=[N-])CC12CCC2 1982245494 IJCYJSYZOFOFEQ-CYBMUJFWSA-N 323.441 3.456 10 10 DGCE C[C@H](O)c1ccc(N2C[C@@H](F)C[C@H]2C)c(Br)c1 1997690818 FFRJQMVYIXNGNM-YWVKMMECSA-N 302.187 3.439 10 10 DGCE CN(Cc1c(O)cccc1Br)[C@@H]1CCC[C@@H]1F 2006800564 BRVIBBHRJRWIRR-NWDGAFQWSA-N 302.187 3.477 10 10 DGCE CN(c1ccc2c(c1)CC[C@@H]2O)[C@H]1CCN(Cc2ccccc2)C1 2012705611 RBNMPXIFFSIIHA-FPOVZHCZSA-N 322.452 3.377 10 10 DGCE Cc1nn(Cc2ccccc2)c(C)c1CNCc1ccc(N)cc1 2014367159 JDZRBXUTHJJSIM-UHFFFAOYSA-N 320.440 3.420 10 10 DGCE C[C@@H](O)c1ccc(N2CC3CC2(CF)C3)c(Br)c1 2030297355 JUFYUFMHGIMAGQ-NAUIOFCNSA-N 314.198 3.441 10 10 DGCE CC[C@H](N[C@@H]1CC[C@H](O)C1)c1cc(Br)ccc1O 2057788490 AJPGDEMTDHVSPF-MDZLAQPJSA-N 314.223 3.109 10 10 DGCE Cc1cc(Br)n(Cc2cc(Cl)ccc2O)n1 2070168596 GFSCPLSVOZXFOY-UHFFFAOYSA-N 301.571 3.361 10 10 DGCE COc1ccc(Cn2nc(C(C)C)c(C(C)C)c2N)c(O)c1 2079827831 XLWLSKYBYIJCOK-UHFFFAOYSA-N 303.406 3.475 10 10 DGCE CC[C@H](c1cc(C)c(C)cc1O)n1nc(C2CC2)c(CN)c1N 2079977565 OEKPGXNNDASVMK-OAHLLOKOSA-N 314.433 3.123 10 10 DGCE COc1cc(Cl)cc(CN[C@H](C)[C@@H]2CCSC2)c1O 2089896792 FEEGVYPVPUGBPL-NXEZZACHSA-N 301.839 3.285 10 10 DGCE C[C@@H](O)c1ccc(N(C)Cc2cnn(C)c2Cl)cc1Cl 2166111112 XPYFZVUOCXTPFG-SECBINFHSA-N 314.216 3.417 10 10 DGCE CCN1CCc2cc(N(Cc3ccccc3)C[C@@H](C)O)ccc21 2210800963 LIVVAAOTXIUZCQ-MRXNPFEDSA-N 310.441 3.456 10 10 DGCE CSc1ncc(CN2C[C@H](CNCC(C)C)[C@@H](C)C2)s1 2284720742 JLMDLKNAQFQDMH-STQMWFEESA-N 313.536 3.179 10 10 DGCE CN(C)c1ccc(C=C2N=C(c3ccccc3F)OC2=O)cc1 2297182764 OAVASASBCWSVKV-UHFFFAOYSA-N 310.328 3.236 10 10 DGCE CC[C@@H](C)CN(C)C(=O)C=Cc1ccc(N2CCOCC2)cc1 2297522580 LVXHVDPTQTUWNY-MRXNPFEDSA-N 316.445 3.041 10 10 DGCE Cc1ccc(CN(C)C(CF)CF)c(O)c1Br 2307470501 OUOAVWXSDWIHRD-UHFFFAOYSA-N 308.166 3.203 10 10 DGCE CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1c(C)nn(C)c1C 2313548204 OPVXVZHSHGHJMB-UHFFFAOYSA-N 323.400 3.064 10 10 DGCE Cc1ccc(CN(C)CC(=O)C(C)C)c(O)c1Br 2327612163 JNLVWCYZUILBKK-UHFFFAOYSA-N 314.223 3.120 10 10 DGCE Cc1ccc(CNc2ccc(N)c(N)c2)c(O)c1Br 2352628394 YFILSRJODZLMJN-UHFFFAOYSA-N 322.206 3.240 10 10 DGCE CC1(C)C[C@@H]2C(=O)N(c3c(Cl)cc(N)cc3Cl)C(=O)[C@@H]21 2365779260 SRVQSSJTJIUWGI-OIBJUYFYSA-N 313.184 3.111 10 10 DGCE Oc1ccc(Cl)cc1CNCc1cnc(C(F)(F)F)o1 2368026103 CVZUJFNZHRKFDM-UHFFFAOYSA-N 306.671 3.342 10 10 DGCE c1ccc(CCCNCc2ccc(N3CCOCC3)cc2)cc1 72659238 ZFUZXUKTCLKNQT-UHFFFAOYSA-N 310.441 3.246 10 10 DGCE COc1ccc(Cn2ccnc2Cc2ccc(N)cc2)cc1OC 82734806 SEZHOLJXTLDNLN-UHFFFAOYSA-N 323.396 3.122 10 10 DGCE Cc1csc([C@@H]2CN(Cc3cc(Cl)ccc3O)CCO2)n1 92789994 XPKVLRRCXFJXQJ-AWEZNQCLSA-N 324.833 3.384 10 10 DGCE CC1=NN(c2ccccc2)C(=O)[C@@H]1Sc1nc2ccccc2[nH]1 100988537 CBZUSKFHENVUGM-OAHLLOKOSA-N 322.393 3.446 10 10 DGCE CCCNCc1ccc(N(C)C[C@H](C)O)c(C(F)(F)F)c1 163709395 LRJKLJLBZJHKEE-NSHDSACASA-N 304.356 3.022 10 10 DGCE CCO[C@H]1C[C@@H](N(C)Cc2cc([N+](=O)[O-])ccc2O)C12CCC2 177916201 WJCLQYAUASQCDA-CVEARBPZSA-N 320.389 3.080 10 10 DGCE CCOc1ccc(O)c(CN[C@@H](C)[C@H](O)c2cccc(F)c2)c1 267156845 DSUYCDUQTLLURH-SGTLLEGYSA-N 319.376 3.142 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NCc1ccccc1O 277922978 QCHNIMZGXFETEJ-UKRRQHHQSA-N 320.433 3.127 10 10 DGCE CCOCc1nc([C@@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)no1 290214346 QEKMQCDAIICULP-QWHCGFSZSA-N 318.421 3.084 10 10 DGCE NCc1cc(Br)c(OCc2ccccc2)cc1O 307655295 OFTKGEREFBQFCZ-UHFFFAOYSA-N 308.175 3.192 10 10 DGCE CCNCc1ccc(N2CCC[C@@H](F)C2)c(Br)c1 701896226 KKCSUMZBUFICAS-GFCCVEGCSA-N 315.230 3.497 10 10 DGCE CNCc1cc(F)c(N(C)[C@@H]2CC[C@H](SC)C2)c(F)c1 708299817 DNJIKCCOTNUUCQ-NEPJUHHUSA-N 300.418 3.405 10 10 DGCE O=C(O)[C@]12C[C@H](NCc3cc(Cl)cc(Cl)c3O)C[C@H]1C2 712937100 KKSRKURNKYKCTQ-LLHLLMPMSA-N 316.184 3.042 10 10 DGCE CC(C)C[C@@H](N)[C@@H](N)c1ccc(OCc2ccccc2)cc1O 713839720 PJQLCYOFKHNJFE-MJGOQNOKSA-N 314.429 3.344 10 10 DGCE Oc1cc2c(cc1CN1CC[C@@H](C3CCOCC3)C1)CCC2 754786433 UYSDCPMGYNBNAP-QGZVFWFLSA-N 301.430 3.129 10 10 DGCE Cc1cc(C)cc(CN(C)C(=O)/C=C/c2ccc(O)c(O)c2)c1 765637031 PHUJPKGJPHBICZ-FNORWQNLSA-N 311.381 3.386 10 10 DGCE COc1ccc(NCc2cccc(Br)c2O)nc1 769406831 SRPGTEZLGHLQSD-UHFFFAOYSA-N 309.163 3.170 10 10 DGCE C[C@H]1CCN(C(=O)NCCCSc2nccs2)C[C@H]1F 779363498 FVLMQYWLFXSTHW-WDEREUQCSA-N 317.455 3.015 10 10 DGCE C[C@@H](NC(=O)N[C@H]1CSC1(C)C)c1ccc(N(C)C)cc1 801764198 SSFPCTDSQZRZTF-RISCZKNCSA-N 307.463 3.007 10 10 DGCE COc1ccc(F)c(CN(C)c2ccc(OC)c(OC)c2)c1 816569760 WAJTVDVVMBAAMG-UHFFFAOYSA-N 305.349 3.488 10 10 DGCE CC[C@H]1CC[C@H](NCc2ccc([N+](=O)[O-])c(OC)c2O)CC1 816625139 TWPMLYCQYPYJCX-AULYBMBSSA-N 308.378 3.367 10 10 DGCE CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CC12CC2 817548160 XLSGXUIOLHHBRK-GFCCVEGCSA-N 324.218 3.303 10 10 DGCE C[C@H](NC(=O)[C@@H]1C[C@H]1C(F)(F)F)c1ccc(N(C)C)cc1 828861379 OUSGLZGFBMKOCS-ZWKOPEQDSA-N 300.324 3.128 10 10 DGCE CC(C)[C@@H]1C[C@@H](CN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)CCO1 834884770 CTJZAVHGVWJUFT-DCGLDWPTSA-N 322.405 3.402 10 10 DGCE CCNCc1ccccc1NC(=O)N(C)Cc1ccccc1O 841315356 FVIMCBCJMVZSRY-UHFFFAOYSA-N 313.401 3.166 10 10 DGCE CCOc1ccc(CN[C@H](C2CCOCC2)C2CC2)c(O)c1 846042692 NPKRUABXOSDDFC-SFHVURJKSA-N 305.418 3.086 10 10 DGCE CCC[C@@H](CC)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 852024811 NPXLPRGQGUISIH-HUUCEWRRSA-N 319.449 3.152 10 10 DGCE CO[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)C1CCC1 854474334 KARCQOIRJJUPMW-ZDUSSCGKSA-N 318.200 3.130 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)C[C@@H]3CC[C@H](C)C3)C2)cc1 855233999 QKBXQBKMPHHQGH-XHSDSOJGSA-N 316.445 3.216 10 10 DGCE C[C@@H](NCc1cc(Cl)cc([N+](=O)[O-])c1O)c1ccns1 858317485 PZQNCDMWHSXNAT-SSDOTTSWSA-N 313.766 3.261 10 10 DGCE C[C@@H](N[C@H](C)c1ccns1)c1ccc(N2CCOCC2)cc1 858579948 ZNOFDEUGMHCBHJ-ZIAGYGMSSA-N 317.458 3.392 10 10 DGCE CCOc1ccc(O)c(CN2CC[C@@H](c3ccc(O)cc3)C2)c1 862540159 AJGLTOOMMQVNDM-OAHLLOKOSA-N 313.397 3.486 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2cccc(OC(C)(C)C)n2)c1 862753420 CZOXTRHTSQJORC-UHFFFAOYSA-N 314.385 3.203 10 10 DGCE Cc1noc(C)c1[C@H](C)CNC(=O)N[C@@H](C)c1ccccc1O 868432839 GABDYALFNGPBRN-MNOVXSKESA-N 317.389 3.161 10 10 DGCE COc1c(C)cccc1CNC(=O)N[C@H](C)c1ccccc1O 868751948 RMVQSQSRNRTLGG-CYBMUJFWSA-N 314.385 3.270 10 10 DGCE COc1ccc2c(c1)CC[C@H]2c1nc(Cc2ccc(N)cc2)no1 872170163 DYZMGLMVACBFGR-QGZVFWFLSA-N 321.380 3.329 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCCC3(CCNCC3)C2)cc1 1118243723 ZPDQGLXQTJBOSF-HWKANZROSA-N 313.489 3.231 10 10 DGCE C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1N)c1ccccc1O 1171722966 IBACXVCSTCYTIY-SECBINFHSA-N 324.302 3.484 10 10 DGCE COc1ccc(CC(=O)NCc2cccc(Cl)c2O)c(C)c1 1180420803 PCOBONHASJGXER-UHFFFAOYSA-N 319.788 3.222 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)N[C@@H](C)CC(C)C)cc1 1230707603 ZFEVLZRQUIKTIC-HNNXBMFYSA-N 321.465 3.207 10 10 DGCE CC(C)c1ccc(CCC(=O)NCc2c(O)cccc2O)cc1 1456235855 PASCLYMIXKHZOW-UHFFFAOYSA-N 313.397 3.470 10 10 DGCE c1ccc(-n2cc(NCc3ccc(N4CCCC4)cc3)cn2)nc1 1461358100 PETLNMOLCQHUGZ-UHFFFAOYSA-N 319.412 3.480 10 10 DGCE O=C(c1ncc(Cc2ccccc2)o1)N1Cc2cccc(O)c2C1 1471355698 RJOSUSOAHGEOKK-UHFFFAOYSA-N 320.348 3.127 10 10 DGCE C[C@@H](NCC(=O)Nc1cc(Cl)ccc1F)c1ccccc1O 1473723436 GOQMAVKHKNXDHD-SNVBAGLBSA-N 322.767 3.474 10 10 DGCE Cn1cc(/C=C/C(=O)N2CCc3cccc(C(F)(F)F)c32)cn1 1525696957 JCLVKERVYLRKGX-AATRIKPKSA-N 321.302 3.041 10 10 DGCE O=C(NCc1c(O)cccc1O)c1cc(Cl)cc(Cl)c1 1558534401 OTYPWMVYUWEPJR-UHFFFAOYSA-N 312.152 3.335 10 10 DGCE CN(C(=O)/C=C/c1ccc(O)c(O)c1)c1cccc2cccnc12 1567969782 OXWSJJSXFXQZQU-CSKARUKUSA-N 320.348 3.322 10 10 DGCE O=C(NCc1ccc(C2CC2)cc1F)c1c(F)ccc(O)c1O 1611424673 ZZZBWBIKXRRETP-UHFFFAOYSA-N 319.307 3.183 10 10 DGCE COC(=O)/C=C\c1ccc(N2C[C@H](C)[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 1612509827 NGMRPFLRPUTNNY-VUDWQKMESA-N 318.373 3.262 10 10 DGCE CCc1ccc(C(=O)NCc2ccc3cccnc3c2O)cc1 1639621370 BJOJLNHXYYYZBM-UHFFFAOYSA-N 306.365 3.433 10 10 DGCE CCc1cccc2c(CC(=O)NCc3cccc(O)c3O)c[nH]c12 1644710498 BHKPUKOXZUQALW-UHFFFAOYSA-N 324.380 3.000 10 10 DGCE COC[C@@H](CNCc1c(O)cccc1Br)C(C)C 1658664940 YTCIUNOPHXQSCL-LLVKDONJSA-N 316.239 3.163 10 10 DGCE CCOC(=O)CCN(C)/N=N/c1ccc(OC(F)(F)F)cc1 1860487862 RDDYYXYKCMPEBF-ISLYRVAYSA-N 319.283 3.469 10 10 DGCE C[C@H](N)c1ccc(N(CCCO)Cc2ccccc2)c(F)c1 1914608495 AOQKFFCBMLZPRM-AWEZNQCLSA-N 302.393 3.234 10 10 DGCE CC(C)N(CC[C@@H](N)c1ccccc1O)C(=O)OC(C)(C)C 1928469085 DKJLEDCFSHPLNJ-CQSZACIVSA-N 308.422 3.428 10 10 DGCE C[C@H](N[C@H](C)CCNC(=O)OC(C)(C)C)c1cc(O)ccc1O 1937018363 HDHVSHQNMCXQQW-NEPJUHHUSA-N 324.421 3.052 10 10 DGCE Oc1cc(Br)ccc1CNCC[C@H]1C[C@H](F)C1 1947701515 ILCPCYSTPULJJL-OTCDBFHCSA-N 302.187 3.383 10 10 DGCE C[C@@H]1[C@H](CNCc2cccc(Br)c2O)C1(F)F 1947978036 IKJYVCIRVBKDOH-APPZFPTMSA-N 306.150 3.146 10 10 DGCE CC(C)(C)OC(=O)NC1CC(CCOc2ccc(N)cc2)C1 1952717394 KGNVCMXNPMBCGL-UHFFFAOYSA-N 306.406 3.341 10 10 DGCE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H]1Cc1ccc(N)cc1 1953032001 VNHNBYMCCOCTEN-ZDUSSCGKSA-N 312.360 3.456 10 10 DGCE CCN(CCN=[N+]=[N-])C[C@H]1CCCCN1C(=O)OC(C)(C)C 1962302522 ZGBVGLBUSBMSSV-CYBMUJFWSA-N 311.430 3.408 10 10 DGCE Oc1c(Br)cc(Cl)cc1CNCC1(F)CC1 1965972755 PURMCEMDEOJHAK-UHFFFAOYSA-N 308.578 3.400 10 10 DGCE CN(C(=O)OC(C)(C)C)c1ccc(Nc2ccc(N)cn2)cn1 1977694660 KOEPTWMCFSQJCD-UHFFFAOYSA-N 315.377 3.174 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCCC12CN(CCCCN=[N+]=[N-])C2 1982248598 WTOHICYTXKSCRO-CYBMUJFWSA-N 323.441 3.456 10 10 DGCE Brc1cc(N2CC3CC2C3)ccc1CNC1CC1 2034311331 LRUJMBSGIMJVDS-UHFFFAOYSA-N 307.235 3.300 10 10 DGCE CN(C)c1ccc([C@@H](O)C(=O)c2occc2Br)cc1 2090866051 AXECXTYGAQPQEN-GFCCVEGCSA-N 324.174 3.024 10 10 DGCE CCN1CCc2cc([C@H](N)c3ccoc3Br)ccc21 2106794668 YWTGEVMWBUPMAY-AWEZNQCLSA-N 321.218 3.473 10 10 DGCE CC1CC(CO)(CNCc2cc(Cl)cc(Cl)c2O)C1 2128720749 UMIUYPINEKYNER-UHFFFAOYSA-N 304.217 3.197 10 10 DGCE C[C@@H]1CCC[C@@H](S(=O)(=O)N2CCC[C@H](N=[N+]=[N-])CC2)C1 2155555356 MXODGWUTMSVVBJ-FRRDWIJNSA-N 300.428 3.060 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@H]1C[C@H](n2ccnc2)C1 2159861248 DENXJBMYBPWTEZ-HAQNSBGRSA-N 312.200 3.389 10 10 DGCE C[C@@H]1SC[C@H]([C@@H](N)c2ccc3c(c2)CCN3C)S[C@@H]1C 2163078639 JKLRUNGBNZCFIB-TZCMFKBTSA-N 308.516 3.304 10 10 DGCE CN[C@@H](c1ccc(N(C)C)cc1)c1sc(OC)nc1Cl 2164060542 GYCRQWPTKVGMHF-NSHDSACASA-N 311.838 3.180 10 10 DGCE CCN(c1cc(Cl)c(CN)cc1F)[C@@H]1COC(C)(C)C1 2177384080 VDKCQNJBSPPKOZ-NSHDSACASA-N 300.805 3.332 10 10 DGCE CC[C@@H](NCCC1(O)CC1)c1cc(Br)ccc1O 2219927716 MTBCEEBORSUVAA-GFCCVEGCSA-N 314.223 3.110 10 10 DGCE Oc1c(Cl)cccc1CN1CC[C@H](OC(F)(F)CF)C1 2239180098 LEFAIZZDGHDPKL-JTQLQIEISA-N 309.715 3.199 10 10 DGCE CSc1ncc(CNC(=O)c2ccc3cc[nH]c3c2)s1 2284719332 GRRUDFAMOPASEL-UHFFFAOYSA-N 303.412 3.276 10 10 DGCE COc1cc(C=C2SC(=S)NC2=O)ccc1OCC(C)C 2297356497 KYEACSSHWLSCBK-UHFFFAOYSA-N 323.439 3.219 10 10 DGCE O=C1C(=Cc2ccccc2)SC(=S)N1CCCCCO 2323791896 YTSDSLIYNLDCKQ-UHFFFAOYSA-N 307.440 3.050 10 10 DGCE Cc1ccc(CN[C@H]2CCO[C@@H](C)C2)c(O)c1Br 2327798991 PJAADTSVJRWNFT-JQWIXIFHSA-N 314.223 3.120 10 10 DGCE CCNCc1ccc(N2C[C@@H]3C[C@H]2[C@@H]2C[C@@H]32)c(Br)c1 2329270791 JBPUXCZDSHIQKX-JFILPPLUSA-N 321.262 3.403 10 10 DGCE CCNCc1ccc(N2C[C@@H]3C[C@H]2[C@@H]2C[C@@H]32)cc1Br 2329275156 KNLDOWJCFYCFAQ-ZIEJDFEHSA-N 321.262 3.403 10 10 DGCE Cc1ccc(C)c(N=NN2CCN(C(=O)c3ccco3)CC2)c1 2330162844 ZZFOFZMYYCKMQU-UHFFFAOYSA-N 312.373 3.353 10 10 DGCE O=C1C(=Cc2cccnc2)C(C(F)(F)F)=NN1c1ccccc1 2332128607 KYWCXQZCFWPALY-UHFFFAOYSA-N 317.270 3.430 10 10 DGCE O=C(O)c1cccc(/N=N\c2c(C(=O)O)nc3ccccn23)c1 71581114 WQHPKROKNRQVSV-ZCXUNETKSA-N 310.269 3.146 10 10 DGCE Nc1ccc(Cc2nc(Cc3ccc4ccccc4n3)n[nH]2)cc1 82752287 CTJPKFVZRMSUTK-UHFFFAOYSA-N 315.380 3.117 10 10 DGCE CN(C(=O)c1c(F)cccc1Br)c1ccc(N)cc1 160695535 HJVAFABJWNEWCZ-UHFFFAOYSA-N 323.165 3.447 10 10 DGCE CC(C)CN(CC(C)C)C(=O)[C@H](C)Cc1ccc(O)c(O)c1 170245410 GXPLNDKGUZDNKZ-CQSZACIVSA-N 307.434 3.417 10 10 DGCE CCc1ccc([C@H](COC)NCc2ccc(OC)cc2O)o1 174482300 LGNIQIINDGCOTR-HNNXBMFYSA-N 305.374 3.034 10 10 DGCE C[C@H](NCC[C@@H](C)NC(=O)OC(C)(C)C)c1c(O)cccc1O 235439418 JZOICSCFLOAAFK-NEPJUHHUSA-N 324.421 3.052 10 10 DGCE COc1cc(CN(C)Cc2cccc(C)c2O)cc(OC)c1 271744635 SIDAGWPRWGGSQJ-UHFFFAOYSA-N 301.386 3.350 10 10 DGCE CCNCc1ccc(N2CCN(Cc3ccccc3)CC2)cc1C 301220116 HHVSAQDDQYUMHR-UHFFFAOYSA-N 323.484 3.427 10 10 DGCE Nc1ccc(N2C[C@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cc1 394605544 YXTJKVKOMVLCQM-QZTJIDSGSA-N 307.441 3.227 10 10 DGCE CCCNCc1ccc(N(C)[C@H](C)C[S@@](C)=O)cc1Cl 398893255 NQPVMINQDRHPSP-MPBGBICISA-N 316.898 3.043 10 10 DGCE O=C(Nc1cccc(Cl)c1Cl)c1cc(O)c(O)c(O)c1 586737537 MJTUUFRPADWVCT-UHFFFAOYSA-N 314.124 3.363 10 10 DGCE CN(Cc1c(O)cccc1Br)[C@H]1COC(C)(C)C1 707137936 ACZDLMHQMXLRHK-SNVBAGLBSA-N 314.223 3.154 10 10 DGCE CC(C)c1csc(NC(=O)/C=C/c2ccc(O)c(O)c2)n1 779499305 NVFQTWNKFDKSHV-GQCTYLIASA-N 304.371 3.330 10 10 DGCE CCN(Cc1c(O)ccc2ccc(OC)cc12)[C@H]1CCOC1 812296241 NYYPSTAINYSDBX-AWEZNQCLSA-N 301.386 3.165 10 10 DGCE Cc1ccc(CN(CCO)Cc2cc(Cl)c(C)cc2O)o1 825754098 ZULNVTOYEQBAIB-UHFFFAOYSA-N 309.793 3.250 10 10 DGCE CC(C)[C@@H](O)C(C)(C)CNC/C=C\c1ccc(N(C)C)cc1 835041782 NSGNQAIDIDDTSX-JTHGQSKGSA-N 304.478 3.399 10 10 DGCE CCCC(=O)NC1CCN(Cc2c(O)cc(C)cc2Cl)CC1 840910454 HCDPYQKOHQEUJR-UHFFFAOYSA-N 324.852 3.235 10 10 DGCE Cc1cc(O)c(CN2CCC(c3cn[nH]c3)CC2)c(Cl)c1 840911551 HCQYVSWLSVDMRE-UHFFFAOYSA-N 305.809 3.457 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCCC[C@H]3C)C2)cc1 855225057 NMEUQWZOLGGRKL-VKJFTORMSA-N 316.445 3.216 10 10 DGCE Cc1ccc([C@H](C)NCCc2cn(C)c3ncccc23)c(O)c1 866574520 WNBCURCTAXHYFN-AWEZNQCLSA-N 309.413 3.481 10 10 DGCE O=C([C@@H]1COCC[C@@H]1c1ccccc1)N1Cc2cccc(O)c2C1 871205688 KDGHGZLNFWXVMI-SJLPKXTDSA-N 323.392 3.055 10 10 DGCE Cc1cc(O)c(CN2CCC(C)(N3CCC3)CC2)cc1Cl 895670252 DIXMZYIHZUCNEL-UHFFFAOYSA-N 308.853 3.414 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)c1cncc2nc[nH]c12 897683961 WHTPEBNFWYBAOL-UHFFFAOYSA-N 324.384 3.106 10 10 DGCE C[C@@H]1C[C@@H](NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCS1 922054873 MQWRRXZBYLACEE-NFAWXSAZSA-N 321.490 3.397 10 10 DGCE C[C@@H](N[C@H]1C[C@@](CO)(c2ccccc2)C1)c1cc(F)ccc1O 927154868 DZMJYFLIYBHYFN-NRXGSXMXSA-N 315.388 3.275 10 10 DGCE C[C@@H](NC(=O)NC[C@H]1CCCC2(CCC2)O1)c1ccccc1O 927174631 LGMITBJIZVZZQF-ZIAGYGMSSA-N 318.417 3.244 10 10 DGCE O=C(N[C@@H](c1ccc(F)cc1F)C1CC1)c1cccc(O)c1O 1137068244 BCUGBHDPYTWREL-OAHLLOKOSA-N 319.307 3.257 10 10 DGCE C[C@@H](NC(=O)c1ncccc1C(F)(F)F)c1ccccc1O 1151885873 LKRAVAAPOMJDGN-SECBINFHSA-N 310.275 3.297 10 10 DGCE C[C@H]1c2sccc2CCN1C(=O)/C=C\c1ccc(O)c(O)c1 1176441451 QPDPKJUNBRHBJY-MZBZXASESA-N 315.394 3.318 10 10 DGCE CN1CCN(Cc2ccc(N3CCCC3)cc2)Cc2cccnc21 1204323996 WCGJXBCARSAQJX-UHFFFAOYSA-N 322.456 3.134 10 10 DGCE COC(=O)/C=C\c1ccc(N2CC(C)(C)C2(C)C)c([N+](=O)[O-])c1 1339890016 BOBSATLBHBHLSY-CLFYSBASSA-N 318.373 3.406 10 10 DGCE CC(C)(C)CC(C)(C)N1CCN(C(=O)c2cc(O)cs2)CC1 1449563838 OXKPTHDYNXNZAU-UHFFFAOYSA-N 324.490 3.426 10 10 DGCE O=C(NCC[C@@H]1CC[C@@H]2C[C@@H]12)c1cc2cc(O)c(O)cc2s1 1455845393 AFJCYCSINDXFFG-UMNHJUIQSA-N 317.410 3.479 10 10 DGCE CN(C)c1ccc(CN(C[C@@H]2CCCC[C@H]2O)C2CC2)cc1 1459354818 WXTJOFFMVFBWLA-QFBILLFUSA-N 302.462 3.268 10 10 DGCE Cc1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(N)cc1F 1638957320 NFBKCRRRMKIPNB-GFCCVEGCSA-N 315.392 3.273 10 10 DGCE C[C@H]1C[C@H](C)CN(C(=O)CCNCc2cc(Cl)ccc2O)C1 1857865153 XZVFBBHIEAHPSZ-STQMWFEESA-N 324.852 3.030 10 10 DGCE CN[C@H](C)c1ccc(N2CC(F)(F)C2)cc1Br 1916990376 BFMQKWLLGCKJRX-MRVPVSSYSA-N 305.166 3.185 10 10 DGCE C[C@H](CC[C@@H](N)c1ccccc1O)CNC(=O)OC(C)(C)C 1928463898 AEFBXGILUPNUIK-TZMCWYRMSA-N 308.422 3.333 10 10 DGCE C[C@H](CCCNC(=O)OC(C)(C)C)[C@H](N)c1ccccc1O 1928466769 FUZZOFXSPHJYOQ-DOMZBBRYSA-N 308.422 3.333 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@]21[C@H](N)c1ccccc1O 1936967915 LPTKXKSCLLPNET-DWQUBVKVSA-N 318.417 3.182 10 10 DGCE CN(C)c1ccc([C@H]2C(=O)CCN2C(=O)OC(C)(C)C)cc1F 1951891248 MPJSMNGGTYWOJW-HNNXBMFYSA-N 322.380 3.143 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccccc2N)C1(C)C 1959370204 KTYNKHXTGAXVSQ-AWEZNQCLSA-N 305.422 3.469 10 10 DGCE CN[C@H](c1ccc(N(C)C)cc1)[C@H]1CCN1C(=O)OC(C)(C)C 1977946145 UAQDYAVONSLXLS-HZPDHXFCSA-N 319.449 3.023 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]2CCN(CCCN=[N+]=[N-])C[C@@H]2C1 1982248315 SIPSHSZOWIVNPW-UONOGXRCSA-N 323.441 3.266 10 10 DGCE CC(C)(C)OC(=O)N1CCCC[C@@H]1CNCc1ccc(N)cc1 1990931140 IOHWGGLBENCYAR-MRXNPFEDSA-N 319.449 3.148 10 10 DGCE C[C@H]1C[C@H](N(C)c2ccc(CN)c(Br)c2)CS1 2015477625 BXPNSBGBUSEYGJ-CABZTGNLSA-N 315.280 3.238 10 10 DGCE CN(Cc1cccc(Br)c1O)[C@H]1CCCOCC1 2028798717 JRXQWBCRXCKRKL-LBPRGKRZSA-N 314.223 3.156 10 10 DGCE CC[C@@]1(CNCc2cccc(Br)c2O)CCCO1 2030255009 AOQUGHPLEIUINO-AWEZNQCLSA-N 314.223 3.204 10 10 DGCE CNCc1ccc(N(C)CC2[C@@H]3CC[C@@H]23)cc1Br 2041989163 DNUFUYVIPSKPJN-CHWSQXEVSA-N 309.251 3.261 10 10 DGCE C[C@H]1CC[C@@H](CNCc2cc(Br)ccc2O)OC1 2053747334 HTFSPDNCKWNIQP-GWCFXTLKSA-N 314.223 3.059 10 10 DGCE CC[C@H](C)n1ncc(C(=O)Nc2ccc(O)c(O)c2)c1C1CC1 2064262479 YHNMNHUHOQVUDV-JTQLQIEISA-N 315.373 3.395 10 10 DGCE O=Cc1cc(C2CC2)nn1Cc1cc(C(F)(F)F)ccc1O 2069992165 HFUNPAACEXTVNT-UHFFFAOYSA-N 310.275 3.346 10 10 DGCE Cc1ccc(-n2c(C)cc(C=CC(=O)N3CC[C@H](O)C3)c2C)cc1 2297777916 WBCNRIDYVAOBSE-IBGZPJMESA-N 324.424 3.009 10 10 DGCE CC[C@@H](C)COC(=O)C=Cc1ccc(N2CCOCC2)cc1 2298423675 NJCTYQZMDWHSGG-OAHLLOKOSA-N 303.402 3.126 10 10 DGCE C[C@@H](c1cccc(O)c1)N(C)C(=O)C=Cc1ccc(O)c(O)c1 2308002352 WLSBKIGIRAUXJH-LBPRGKRZSA-N 313.353 3.036 10 10 DGCE Cc1ccc(CN[C@@H](C)[C@@H]2CCCO2)c(O)c1Br 2327620169 AHMFSQUIJNBMKK-JQWIXIFHSA-N 314.223 3.120 10 10 DGCE Cc1ccc(CN[C@@H]2C[C@]23CC3(F)F)c(O)c1Br 2327792408 JMJYZGVIVBVFDI-SKDRFNHKSA-N 318.161 3.350 10 10 DGCE Cc1ccc(CNCc2ncoc2C)c(O)c1Br 2327799183 RJHRRSWMPJVOKO-UHFFFAOYSA-N 311.179 3.049 10 10 DGCE CN[C@H]1C(=O)Nc2cc(N(C)[C@@H](C)c3cccs3)ccc21 49727417 YCZHIYKDJSJFSP-ZUZCIYMTSA-N 301.415 3.158 10 10 DGCE Nc1ccc(OCCn2nnc3cc(Cl)c(Cl)cc32)cc1 57839477 CKOHWXGCHIRLGF-UHFFFAOYSA-N 323.183 3.399 10 10 DGCE CCN[C@@H](C)c1ccc(N(C)C[C@@H]2CCN(C)C2)cc1Cl 78928124 JGBKYGGTCBMFKW-UONOGXRCSA-N 309.885 3.398 10 10 DGCE COc1cc(OC)c(N2C[C@H](C)NC[C@H]2C(C)C)cc1Cl 86155317 SVIFKKFAKFJGCW-FZMZJTMJSA-N 312.841 3.180 10 10 DGCE OC[C@@H]1CCC[C@H]1CNCc1cc(Cl)cc(Cl)c1O 89494893 GTQWOTWAGUSFTI-UWVGGRQHSA-N 304.217 3.197 10 10 DGCE CC1=NN(c2ccccc2)C(=O)/C1=C(\C)Nc1ncccc1C 103916855 ZETVNERDKSIKFH-DTQAZKPQSA-N 306.369 3.499 10 10 DGCE COC(C)(C)C[C@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1 155311298 AWXZAMQWRPLLOT-HOTGVXAUSA-N 320.477 3.377 10 10 DGCE CCN(C)c1ccc([C@H](C)NC[C@@H](C)Cn2ccnc2)cc1 163049552 NLQJHWHQOYIDOW-CVEARBPZSA-N 300.450 3.326 10 10 DGCE Cc1cc(O)c(CN2CC[C@H](C(=O)OC(C)(C)C)C2)cc1C 176168535 MWLNCQYNPFCKKY-AWEZNQCLSA-N 305.418 3.173 10 10 DGCE COc1ccc(CN2CC[C@]3(C2)OCc2ccccc23)c(O)c1 186446241 KGUTVEAVJHBODB-LJQANCHMSA-N 311.381 3.032 10 10 DGCE COc1cccc(NC(=S)N(C(C)=O)c2ccc(N)cc2)c1 243163382 JQQUAMXUVIYAFK-UHFFFAOYSA-N 315.398 3.027 10 10 DGCE CC(C)NCc1ccc(N2C[C@@H]3CC[C@@H](O)[C@H]3C2)c(Cl)c1 252881721 TWRLUBYMBBNMLH-GRDNDAEWSA-N 308.853 3.045 10 10 DGCE C[C@@H](NCCCCN(C)C)c1cc(Br)ccc1O 273555434 GURBNJHNYRYZBD-LLVKDONJSA-N 315.255 3.147 10 10 DGCE CC[C@@H](CNC(=O)OC(C)(C)C)N[C@H]1CCc2cccc(O)c21 309720434 NOEWWHAYSGVZHS-KBPBESRZSA-N 320.433 3.272 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(F)ccc1N 320596680 ZNVFAINQCAYPRT-UHFFFAOYSA-N 315.392 3.136 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N2CCC23CCOCC3)cc1 375488317 ZTCRCILNTALCMN-UHFFFAOYSA-N 324.424 3.489 10 10 DGCE C[C@@H](CCOCc1ccccc1)NCc1ccc(O)c(O)c1 389960717 ZWHXLNUXKJYAQT-AWEZNQCLSA-N 301.386 3.183 10 10 DGCE O=C(/C=C/c1cccnc1)N1CCC[C@@H](O)c2cc(F)ccc21 492423966 DSIFNDOHAFCEQI-ZGRWHYIRSA-N 312.344 3.094 10 10 DGCE Nc1ccc(C[C@@H](O)Cc2ccc(F)cc2Br)cc1 696529147 OQPBRJNGDVTHLL-CQSZACIVSA-N 324.193 3.317 10 10 DGCE CCNCc1ccc(N2C[C@H](F)[C@H](F)C2)cc1Br 714709501 UOAOFTOAIDZPOR-BETUJISGSA-N 319.193 3.055 10 10 DGCE COc1ccc(CNC[C@@H]2CCN2Cc2ccccc2)cc1C 716295291 XJUNUUXMCSGCEJ-IBGZPJMESA-N 310.441 3.368 10 10 DGCE CO[C@H]1CC[C@@H]1N(C)c1ccc([C@@H](C)O)c(Br)c1 724151597 SPZLWQAZJPZJBZ-IIMNLJJBSA-N 314.223 3.116 10 10 DGCE CC(C)OC1CC(NCc2cc(Br)ccc2O)C1 769938120 UGSMFUPOSHLBIA-UHFFFAOYSA-N 314.223 3.200 10 10 DGCE Cc1cc(C)c([C@@H](C)NCCc2c(C)nn(C)c2C)c(O)c1 788504807 DSXRPTNLQDUDMU-CQSZACIVSA-N 301.434 3.253 10 10 DGCE CCNC(=O)N(C)c1cccc(NCc2cc(F)ccc2O)c1 793318000 NEQRSBPBCCJATP-UHFFFAOYSA-N 317.364 3.309 10 10 DGCE Cc1cc(C)c(O)c(CN2C[C@H](C(F)(F)F)OC[C@H]2C)c1 795689836 GOTXJUATXSPTBY-DGCLKSJQSA-N 303.324 3.161 10 10 DGCE O=C(COc1ccc(N2CCCCC2)c(Cl)c1)N1CCCC1 817382140 QJTAFBULRDRRLZ-UHFFFAOYSA-N 322.836 3.332 10 10 DGCE Cc1cc(Cl)cc(CN[C@@H](C2CC2)[C@@H](CO)C2CC2)c1O 824845741 NJVHYYTVHXADHQ-HOTGVXAUSA-N 309.837 3.241 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 835055536 VTRLDFCJBBDASF-CGCMPYLGSA-N 314.473 3.391 10 10 DGCE CN(C)c1ccc(/C=C\CNCc2c3c(nn2C)CCCC3)cc1 835056563 VTJMFWOBIOASQM-SREVYHEPSA-N 324.472 3.168 10 10 DGCE Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)Nc1ccc(N)cc1 841295541 AZMLWKHLTHKJME-LLVKDONJSA-N 315.421 3.411 10 10 DGCE CC[C@H](N[C@H]1C[C@@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1O 846187938 CXAUSYPRKCYQON-RNSXUZJQSA-N 317.216 3.004 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)C3=CC[C@H](C)CC3)C2)cc1 855226787 UESRWFCGQDETGD-GOEBONIOSA-N 314.429 3.137 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)C3CCCC3)C2)cc1 855231077 JGDVSXUBNACWAP-GDBMZVCRSA-N 316.445 3.216 10 10 DGCE O=C(c1cccc(O)c1O)N1CC2(CCCC2)[C@@H]1c1ccco1 855487965 BURWXOXNUYRPQX-INIZCTEOSA-N 313.353 3.448 10 10 DGCE C[C@@H](NC[C@@H]1c2ccccc2CN1C)c1ccc(F)cc1O 866563007 IMNVLWLHCNVZJX-SJKOYZFVSA-N 300.377 3.369 10 10 DGCE C[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@@H](C)S1 896701033 MAAMRCBHKDMHSE-DTORHVGOSA-N 323.439 3.279 10 10 DGCE CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@H]2C2CCCC2)cc1F 1434913431 AIYOPOLTWQIVGV-HUUCEWRRSA-N 304.409 3.334 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1C(F)F 1447559248 BRUHHRMGVZEWDR-SNVBAGLBSA-N 321.323 3.396 10 10 DGCE CN(C)c1ccc(CN(C)c2ncnc(-c3ccccc3)n2)cc1 1458070915 OGRMOZHJHOBUMM-UHFFFAOYSA-N 319.412 3.241 10 10 DGCE CC(C)(C(=O)NCc1ccc2cccnc2c1O)C(F)(F)F 1528501153 DDRILRPVAQZRTO-UHFFFAOYSA-N 312.291 3.145 10 10 DGCE Cc1cc(Cl)nc(C(=O)NCc2ccc(N(C)C)cc2C)c1 1530833708 RTNZNSCYQQEMEC-UHFFFAOYSA-N 317.820 3.348 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2cnccc2c1 1556157737 IWIMRRFZLKMRSC-LBPRGKRZSA-N 322.364 3.007 10 10 DGCE C[C@H](CN(C)C(=O)c1c(F)ccc(O)c1O)c1ccccc1 1558925439 JZZDBCQRSQDWKI-LLVKDONJSA-N 303.333 3.113 10 10 DGCE Cc1sc2ncnc(NCc3cc(O)ccc3O)c2c1C 1559270212 ICYOJGJFYWFIFC-UHFFFAOYSA-N 301.371 3.331 10 10 DGCE C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1O 1560075183 VPMQWVLZIYUJML-JTQLQIEISA-N 313.313 3.292 10 10 DGCE CSCc1cccc(NC(=O)c2c(F)ccc(O)c2O)c1 1610392771 LFIDLAXSJYMUBZ-UHFFFAOYSA-N 307.346 3.352 10 10 DGCE Cc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCC[C@@H]1C 1612537676 JUUPNMWRBQMDJO-DZGCQCFKSA-N 314.433 3.365 10 10 DGCE CCC/C=C/[C@@H](O)C(=O)NCc1ccc(N2CCCCC2)cc1 1630698222 OUWQAFFDEDORRW-KRZKXXONSA-N 316.445 3.010 10 10 DGCE Cc1oc2ccccc2c1CC(=O)NCc1cc(O)ccc1O 1644754520 ZVRNZYXETHRIDA-UHFFFAOYSA-N 311.337 3.011 10 10 DGCE COC[C@H](CNCc1ccc(Br)cc1O)C(C)C 1665740982 DKUJIXTXQPAVLL-LBPRGKRZSA-N 316.239 3.163 10 10 DGCE C[C@H](NC(=O)NCc1ccccc1O)[C@H]1CC2CCC1CC2 1686933502 PJAXFHDPNDXESO-WLIAPVHPSA-N 302.418 3.406 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@@H]1C[C@H]2C[C@@H]2CO1 1875664353 TXLPYTFZWBTAFV-UISBYWKRSA-N 302.201 3.214 10 10 DGCE NCc1ccc(N(Cc2ccccc2)[C@@H]2CCOC2)c(F)c1 1915470270 HUWWIKLQEBQAMN-MRXNPFEDSA-N 300.377 3.080 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H]([C@H](N)c2ccccc2O)CC1 1937299448 AFIITSBCVUEXBN-CJNGLKHVSA-N 320.433 3.429 10 10 DGCE C[C@@H](O)c1ccc(N2CC[C@@](C)(F)C2)c(Br)c1 1946967011 CWABJTBCDSVDDH-NOZJJQNGSA-N 302.187 3.441 10 10 DGCE Cc1ccc([C@@H](CCC(=O)O)NC(=O)OC(C)(C)C)c(O)c1 1951657351 MCPRAOJSXPKPRY-GFCCVEGCSA-N 309.362 3.131 10 10 DGCE CN(C[C@H]1CCCN1c1ccc(N)cc1)C(=O)OC(C)(C)C 1959570384 GYIDDZOBGLJZBX-OAHLLOKOSA-N 305.422 3.105 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H]2CCN(CCCN=[N+]=[N-])C[C@H]21 1962298053 BRMHBTZACPGMFG-CHWSQXEVSA-N 309.414 3.018 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCN(CCN=[N+]=[N-])CC12CCC2 1962303187 FNPIECVMQACGQH-GFCCVEGCSA-N 309.414 3.066 10 10 DGCE C[C@@H](NCc1ccc(N)cc1)c1nscc1Br 2013670831 XMXMYBWFYUVZPS-MRVPVSSYSA-N 312.236 3.339 10 10 DGCE CC(C)(C)c1nn(-c2ccc(O)c(O)c2)c(N)c1C(C)(C)C 2079783154 IGCOBEHKXSGKAX-UHFFFAOYSA-N 303.406 3.461 10 10 DGCE CCCN[C@]1(CO)C[C@H](C)C[C@@H](Sc2nccs2)C1 2118779787 YNCQVDYHUKMYJT-YRGRVCCFSA-N 300.493 3.155 10 10 DGCE CCN[C@H](C)c1cnc(SCC2(CC(=O)OC)CC2)s1 2159806276 UNPSRQSOZKLDCM-SNVBAGLBSA-N 314.476 3.249 10 10 DGCE Oc1ccc(CNCc2cc(C(F)(F)F)cs2)c(O)c1 2161213793 CSAUQUYXIJNAEH-UHFFFAOYSA-N 303.305 3.468 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@]12COC[C@H]1C2(F)F 2161887401 ONMRZEWSKNLDJJ-PWSUYJOCSA-N 324.154 3.070 10 10 DGCE CC[C@@H]1C[C@@H](Sc2nccs2)C[C@@](CO)(NC2CC2)C1 2175441780 KNCVPHBZHWMYIV-KYOSRNDESA-N 312.504 3.297 10 10 DGCE CCCN[C@@]1(C(=O)O)C[C@@H](Sc2nccs2)C[C@H](C)C1 2175482011 BLXPMELLENATJX-COPLHBTASA-N 314.476 3.247 10 10 DGCE Cc1sc(C(=O)N(C)CCN=[N+]=[N-])cc1Br 2210636493 YFBRGMBDCVQZSN-UHFFFAOYSA-N 303.185 3.201 10 10 DGCE Cn1cc(NCc2cc(Br)ccc2O)c(Cl)n1 2216817435 OWIMVPCVRNPRJK-UHFFFAOYSA-N 316.586 3.154 10 10 DGCE COc1cc(Cl)cc(CN[C@H]2CC[C@@H]2C(F)(F)F)c1O 2232598233 XPXZZTVFNGKRBR-UWVGGRQHSA-N 309.715 3.485 10 10 DGCE Cc1cccc(CNC[C@@H]2CC[C@H]2NC(=O)OC(C)(C)C)c1O 2244728386 BUWUTFGTIPFVNK-DZGCQCFKSA-N 320.433 3.094 10 10 DGCE Cc1cc(NCc2ccc(C)c(Br)c2O)n(C)n1 2327591443 JEMUYFLPIUMEDA-UHFFFAOYSA-N 310.195 3.117 10 10 DGCE Cc1ccc(CNc2cncc(F)n2)c(O)c1Br 2327621635 PGKJXPYPYLALFV-UHFFFAOYSA-N 312.142 3.004 10 10 DGCE CCCC1=NN(CCC)C(=O)C1=Cc1cccc(OC)c1OC 2332130639 KEELKYNGANCBNP-UHFFFAOYSA-N 316.401 3.496 10 10 DGCE CSc1ncc(CN[C@]2(C(=O)O)CCCC3(CC3)C2)s1 2372155535 FIBIKXSPQICTAP-CQSZACIVSA-N 312.460 3.132 10 10 DGCE Oc1ccccc1CNc1cc(Cl)ccc1-n1cncn1 36952954 UHUIEJGWVCUXRJ-UHFFFAOYSA-N 300.749 3.238 10 10 DGCE CN[C@H](Cc1ccc(O)c(O)c1)c1nc2ccccc2s1 37239468 KCLUQVFUEBCEPA-GFCCVEGCSA-N 300.383 3.211 10 10 DGCE Cc1cccn2c(/N=N\c3ccc(C(=O)O)cc3)c(C(=O)O)nc12 71581998 VOAFKLGWGJJVQD-HNENSFHCSA-N 324.296 3.455 10 10 DGCE Nc1ccc(NC(=O)CCCOc2cncc(Cl)c2)cc1 81697399 WVLVBYYFACOQDM-UHFFFAOYSA-N 305.765 3.115 10 10 DGCE COc1cccc(/C(C)=C/C(=O)N(C)Cc2ccccc2O)c1 81751062 JYXZRKPHCDEWTR-SDNWHVSQSA-N 311.381 3.463 10 10 DGCE CC(C)[C@@H]1CN[C@@H](C)CN1c1ccc(OC(F)(F)F)cc1 86151597 IVDULQAAQOQDHK-FZMZJTMJSA-N 302.340 3.408 10 10 DGCE CN(C)c1ccc(CN2CCO[C@@H](c3cccs3)C2)cc1 92593343 YZFQRISPBCGLBA-MRXNPFEDSA-N 302.443 3.388 10 10 DGCE CC[C@H](N[C@@H]1CCCOC1)c1cc(Br)ccc1O 109543676 RCWFITFJZSMEBD-YPMHNXCESA-N 314.223 3.374 10 10 DGCE Cc1ccc(-c2nnc(CN(C)Cc3ccccc3O)o2)cc1 109769710 CNJAWDSBCFQMMQ-UHFFFAOYSA-N 309.369 3.383 10 10 DGCE COc1ccc(N(C)CC(=O)Nc2cccc(C)c2)cc1F 121833649 ADWMTPXYQTWPSK-UHFFFAOYSA-N 302.349 3.218 10 10 DGCE COc1ccc(O)c(CNC(=O)/C=C/c2ccccc2Cl)c1 155964179 OHWPWDNPWOFAGH-RMKNXTFCSA-N 317.772 3.384 10 10 DGCE CC(C)(C)[C@@H]1CCN(c2cc3c(cc2Cl)[C@H](N)C(=O)N3)C1 160327744 IYYPUFFANXWSLZ-OTYXRUKQSA-N 307.825 3.164 10 10 DGCE COCC1CCN(c2ccc(/C=C/C(=O)O)cc2Cl)CC1 164387387 OZILMMXLIDTJCH-HWKANZROSA-N 309.793 3.301 10 10 DGCE CCn1ncc(Br)c1C(=O)CCc1ccc(N)cc1 164631412 OBLPPFOBPQHLRJ-UHFFFAOYSA-N 322.206 3.063 10 10 DGCE Cc1cc(Cl)cc(CN2CCC(c3ccnn3C)CC2)c1O 179981536 HVKGSTAXJNUPLA-UHFFFAOYSA-N 319.836 3.467 10 10 DGCE C[C@H](Nc1ccc2oc(=O)n(C)c2c1)c1cc(F)ccc1O 186439155 HXWHTKQARCWXRU-VIFPVBQESA-N 302.305 3.149 10 10 DGCE CC(C)[C@H](CN[C@@H](C)c1ccc(F)c(F)c1O)N1CCCC1 191197596 RYJWEAJBQMXADA-WFASDCNBSA-N 312.404 3.441 10 10 DGCE CC(C)Oc1ccc(N(C)Cc2nsc(N(C)C)n2)cc1 191588967 HBXXYLLTNJFCGA-UHFFFAOYSA-N 306.435 3.028 10 10 DGCE CC(=O)N(C(=O)N/C=C/c1ccc(C)cc1)c1ccc(N)cc1 218095655 NOGHLDINLOTPPL-VAWYXSNFSA-N 309.369 3.311 10 10 DGCE CC[C@@H](CNC(=O)OC(C)(C)C)NCc1cccc(C)c1O 227724009 CCOWHJYYRPYSAY-AWEZNQCLSA-N 308.422 3.094 10 10 DGCE CN(Cc1ccccc1O)C(=O)c1ccc(Cl)nc1Cl 234288311 MHACNEONUYGOAW-UHFFFAOYSA-N 311.168 3.366 10 10 DGCE CN[C@@H](C)c1ccc(N(C)CC(F)F)cc1Br 234406028 PMRUPDPHHVRZOO-QMMMGPOBSA-N 307.182 3.431 10 10 DGCE COc1cc(OC)cc(C(=O)Nc2cccc(N(C)C)c2)c1 243547990 OIPOOWBLZPYQHG-UHFFFAOYSA-N 300.358 3.022 10 10 DGCE COc1cc(O)c(CNc2cc(C3CC3)ccn2)cc1OC 290806760 FUBQCTOTOIZCSZ-UHFFFAOYSA-N 300.358 3.294 10 10 DGCE C[C@H]1CN(c2ccc([C@@H](C)N)c(Br)c2)[C@H](C)CO1 300521493 XIOLPUGYDAZPHK-OUAUKWLOSA-N 313.239 3.082 10 10 DGCE COC(=O)c1cccc(C2(N=NC(=O)OC(C)(C)C)CC2)n1 309616947 TWOWZPYMWLXIFQ-UHFFFAOYSA-N 305.334 3.245 10 10 DGCE Nc1ncnc(N2CC=C(c3ccc(Cl)nc3)CC2)c1Cl 365028230 KGIVBUHPBNNMEF-UHFFFAOYSA-N 322.199 3.054 10 10 DGCE CSC[C@H](C)N(C)c1cc(Br)c(CN)cc1F 383565773 BAGICJSJFGPTMY-QMMMGPOBSA-N 321.259 3.235 10 10 DGCE Nc1ccc(CC(=O)Cc2ccsc2Br)cc1 388960745 IJHOIIUQAWAFBP-UHFFFAOYSA-N 310.216 3.447 10 10 DGCE C[C@H]1C[C@@H](N(C)c2ccc([C@@H](C)N)cc2Br)CO1 401573331 MUTMSMBGWFOKDG-HOSYDEDBSA-N 313.239 3.082 10 10 DGCE C[C@H](N[C@H]1CCNC12CCC2)c1cc2c(cc1O)CCCC2 530219311 ZTNWMDVAUNXHCV-UGSOOPFHSA-N 300.446 3.206 10 10 DGCE COc1ccc2c(c1)N[C@@](C)(C(C)C)CN2C[C@H]1CCCNC1 606610952 LZUOEEPAAVCDLY-HNAYVOBHSA-N 317.477 3.341 10 10 DGCE C[C@@H](N)c1ccc(N2CCO[C@@H](C(F)F)CC2)cc1Cl 687572179 MJYCZNOHKQCQEH-NOZJJQNGSA-N 304.768 3.220 10 10 DGCE N[C@@H]1CC=C(CN2CCCc3cc(Br)ccc32)C1 713301587 BTOQGIWJAPRTIW-CQSZACIVSA-N 307.235 3.249 10 10 DGCE COc1cc(Cl)cc(CNCC[C@@H]2CCCS2)c1O 715599826 GCETZWNJGLIHOI-LBPRGKRZSA-N 301.839 3.430 10 10 DGCE CC(C)[C@@H]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 755967641 APOMPALNGSKXJA-QGZVFWFLSA-N 315.461 3.257 10 10 DGCE CC(C)[C@H]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 755968521 MGTBHYFPVLBSKG-AWEZNQCLSA-N 307.413 3.079 10 10 DGCE C[C@@H](NC(=O)c1cc(O)cs1)c1ccccc1-n1cccn1 760150529 UERYQNNMHXKEEA-LLVKDONJSA-N 313.382 3.130 10 10 DGCE Cc1cncnc1-c1noc(-c2ccc(-n3cccc3)c(F)c2)n1 762180215 XUGOIBNHLNEKAD-UHFFFAOYSA-N 321.315 3.432 10 10 DGCE CN(C(=O)/C=C\c1cnn(C)c1)c1c(Cl)cccc1Cl 772353694 APJDHLHYISYXJW-SREVYHEPSA-N 310.184 3.403 10 10 DGCE Cc1cc(Cl)cc(CN2CCN(C3CCCC3)CC2)c1O 775648512 VTLLGIHJCXFLCY-UHFFFAOYSA-N 308.853 3.414 10 10 DGCE C[C@H]1CCN(Cc2cccc(Br)c2O)C[C@@H]1F 779151531 ZOPNPZIKCUKHLY-CABZTGNLSA-N 302.187 3.335 10 10 DGCE C[C@@H](N[C@H]1CCn2ccnc21)c1ccc(Br)cc1O 834833219 VZHDFQYBSJCHLX-SKDRFNHKSA-N 322.206 3.147 10 10 DGCE CN(C)c1ccc(/C=C/CNC[C@@]2(O)CCc3ccccc32)cc1 835040120 ACCMQVLBQGCFKW-LYSGITKLSA-N 322.452 3.189 10 10 DGCE C[C@H](CC(F)(F)F)C(=O)NCc1ccc2c(c1)CCCN2C 837377054 HTZLRUWKPVDDQX-LLVKDONJSA-N 314.351 3.274 10 10 DGCE CC[C@@H]1CCN1C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C 840483294 JGQOBPAWVHOQBI-GOEBONIOSA-N 303.450 3.186 10 10 DGCE Oc1ccc2ccncc2c1CN1CCC(c2ccon2)CC1 853592638 ZOPWIGKBVQMCIF-UHFFFAOYSA-N 309.369 3.308 10 10 DGCE Oc1cccc(Br)c1CN1CC(Cc2ccco2)C1 862487742 VAMPRMNASSAPLC-UHFFFAOYSA-N 322.202 3.422 10 10 DGCE COc1cccc(CN2CCC[C@H](OC3CCC3)CC2)c1O 872259930 FCGFJLQKWUVMNP-INIZCTEOSA-N 305.418 3.324 10 10 DGCE C/C(=C\c1cccnc1)C(=O)N1CC2(CC2)Oc2ccccc21 890618673 WYWYORNNFWJSGN-SDNWHVSQSA-N 306.365 3.443 10 10 DGCE CC[C@@H](C)C(=O)NCc1cc(NC(=O)[C@H](C)CC)ccc1O 923125292 BWLMCKOAKLBOTJ-VXGBXAGGSA-N 306.406 3.039 10 10 DGCE Cc1ccc([C@H](C)NC[C@@H]2CCC3(CCOCC3)O2)c(O)c1 927015652 RMXOSOZWFBUWDW-GJZGRUSLSA-N 305.418 3.079 10 10 DGCE Cc1ccc(-c2nnc3sc(Cc4ccc(N)cc4)nn23)cc1 953048719 ISRKQNHWTNZMGZ-UHFFFAOYSA-N 321.409 3.334 10 10 DGCE CN(C)c1ccc(CNC(=O)c2ccccc2-c2cn[nH]c2)cc1 1135828121 UJGOTBSKBTVBOF-UHFFFAOYSA-N 320.396 3.073 10 10 DGCE CC(C)(C)c1cnc(NC(=O)Cc2ccc(O)c(O)c2)s1 1294075137 JLQSRHWOZMINFZ-UHFFFAOYSA-N 306.387 3.033 10 10 DGCE C[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@@H]1c1ccccc1 1303504821 HRVNDVHHHBNPDW-YJYMSZOUSA-N 311.381 3.250 10 10 DGCE COCc1ccc(C(=O)NCc2ccc3cccnc3c2O)cc1 1469250033 GWBFASHQLFIZAD-UHFFFAOYSA-N 322.364 3.017 10 10 DGCE Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccccc1O 1471194606 LZSBRNNEDBJVJX-JTQLQIEISA-N 318.304 3.239 10 10 DGCE C/C=C(\C)C(=O)N(C)C1CC(NCc2ccc(OC)c(C)c2)C1 1486459079 JPFJCXLAZCWTDG-AWNIVKPZSA-N 316.445 3.049 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)Nc1c(O)cccc1Cl 1556784087 JYECJAXEUMLODE-ALCCZGGFSA-N 305.717 3.109 10 10 DGCE COc1ccc(N(Cc2ccco2)Cc2nncs2)cc1F 1559599961 JUPHQBFAVSVFMO-UHFFFAOYSA-N 319.361 3.486 10 10 DGCE C[C@@H]1CCc2c(C(=O)NCc3cc(O)ccc3O)csc2C1 1593873501 QWFVQVQIRLSZSD-SNVBAGLBSA-N 317.410 3.214 10 10 DGCE Cc1ccc(O)c(CNC(=O)[C@H]2Cc3ccc(Cl)cc32)c1 1641733407 URNMAVVHBFUMKD-HNNXBMFYSA-N 301.773 3.310 10 10 DGCE O=C(NCc1c(O)cccc1F)[C@@H]1C[C@@]1(F)c1ccccc1 1652298718 OLLHHNXSZJTJSD-SUMWQHHRSA-N 303.308 3.032 10 10 DGCE c1ccc(COc2ccc(N3CCCC4(CNC4)C3)cc2)cc1 1899863860 PXXZCKFGASFXGO-UHFFFAOYSA-N 308.425 3.455 10 10 DGCE Cc1nscc1CNCc1cc(Br)ccc1O 1945108033 BPZFDXGFHRYYTC-UHFFFAOYSA-N 313.220 3.209 10 10 DGCE C[C@@H](N)c1ccc(N2CC[C@](C)(F)C2)cc1Br 1946948076 ICNIQDCYMFWIRF-RNCFNFMXSA-N 301.203 3.407 10 10 DGCE CCSC1CN(c2ccc([C@H](C)O)cc2Br)C1 1948318054 MRGPTROESOEBIM-VIFPVBQESA-N 316.264 3.444 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)CCCOCc2ccccc2)C1 1958666978 APKBRCTVDCOCGO-HNNXBMFYSA-N 302.378 3.142 10 10 DGCE CCN(C[C@@H](O)c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C 1959567706 KLOPFUJQGXXEAU-OAHLLOKOSA-N 308.422 3.043 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(Cc2csc(Br)n2)C1 1981444366 QUSQYTBJWINDTA-SSDOTTSWSA-N 302.201 3.180 10 10 DGCE C[C@@H]1CC[C@H](CNCc2cccc(Br)c2O)OC1 2053746430 DBNYBKYWBJLWGL-ZYHUDNBSSA-N 314.223 3.059 10 10 DGCE CC[C@](C)(CN(C)Cc1c(O)cccc1Br)OC 2066247274 JFIUPMZHDKCMRY-CQSZACIVSA-N 316.239 3.402 10 10 DGCE Cc1cc(O)c([C@H](n2nc(C)c(N)c2N)C2(C)CC2)cc1C 2079935792 PDOIFUVYLWLUQZ-HNNXBMFYSA-N 300.406 3.068 10 10 DGCE CC[C@H](c1cc(C)c(C)cc1O)n1nc(C(C)C)c(CN)c1N 2079970249 PKODKHBFDPRAFE-OAHLLOKOSA-N 316.449 3.369 10 10 DGCE CNCc1ccc(N2C[C@](C)(Br)[C@](C)(F)C2)cc1 2084857767 WWUQPIUUQDZAID-UONOGXRCSA-N 315.230 3.108 10 10 DGCE C[C@H]1C[C@]1(F)CN(C)c1cc(Br)c(CN)cc1F 2085435341 KNSJEADQESCXTA-SDBXPKJASA-N 319.193 3.231 10 10 DGCE CC(C)CCS(=O)(=O)Nc1ccc(O)c(C(F)(F)F)c1 2152907210 OHGMKBUFGSWATR-UHFFFAOYSA-N 311.325 3.199 10 10 DGCE CN(C)c1ccc([C@H](N)[C@](C)(O)c2ccc(Cl)s2)cc1 2163133053 IYPCOEGQCDGPQV-LSDHHAIUSA-N 310.850 3.375 10 10 DGCE Cc1c(Br)csc1C(=O)N1CC[C@@H](N=[N+]=[N-])C1 2213769483 UWFPVDCFHJGKOB-SSDOTTSWSA-N 315.196 3.344 10 10 DGCE Oc1ccc(Br)cc1CNC[C@H](F)C1CCC1 2215291392 QAWJDJDSGFNBHS-LBPRGKRZSA-N 302.187 3.383 10 10 DGCE CN(Cc1cc(Cl)cc(Cl)c1O)c1ccc(=O)n(C)c1 2233245990 LIWFPFSPWBGMNQ-UHFFFAOYSA-N 313.184 3.034 10 10 DGCE Cc1ccc(O)c(CNC[C@H]2CC[C@@H]2NC(=O)OC(C)(C)C)c1 2244704876 WPEPNPZDSHNUAH-HIFRSBDPSA-N 320.433 3.094 10 10 DGCE Oc1cccc(Br)c1CN[C@H]1CCC[C@@H]1CF 2251060635 LFGFGIFYTAKCBY-SKDRFNHKSA-N 302.187 3.383 10 10 DGCE CO[C@H]1CC(F)(F)CC[C@@H]1NCc1cnc(SC)s1 2269271630 NEFBACBGQSFOMW-UWVGGRQHSA-N 308.419 3.157 10 10 DGCE CSc1ncc(CN[C@@H]2CCO[C@H](C(F)(F)F)C2)s1 2269272969 RSFHNVAWLAHYOD-APPZFPTMSA-N 312.382 3.065 10 10 DGCE CSc1ncc(CNCC2CCC3(CC2)CC(N)C3)s1 2284721133 BRDKDGXAMCLDMV-UHFFFAOYSA-N 311.520 3.252 10 10 DGCE Cc1cc(C)c(-n2c(C)cc(C=C3NC(=O)NC3=O)c2C)c(C)c1 2294034154 KRIZXBAQWIVUNA-UHFFFAOYSA-N 323.396 3.200 10 10 DGCE O=C1Nc2ccc(F)cc2C1=Cc1ccc(N2CCOCC2)cc1 2303184841 SQNFVEJULQSIHN-UHFFFAOYSA-N 324.355 3.155 10 10 DGCE CC[C@H](c1ccncc1)N(C)C(=O)C=Cc1ccc(O)c(O)c1 2308001543 RUSSNRLKVYIQQS-OAHLLOKOSA-N 312.369 3.116 10 10 DGCE CC[C@H](O)[C@H](CC)NCc1ccc(C)c(Br)c1O 2327624999 XKXMWKODJIQNIW-RYUDHWBXSA-N 316.239 3.102 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CC[C@H]2CCCN[C@@H]2C1 2361350549 RFLLBLGERDHKJN-QMTHXVAHSA-N 315.244 3.273 10 10 DGCE Oc1ccc(CNCc2ccccc2Br)c(O)c1 42419174 JIMYIIGNWCQXEU-UHFFFAOYSA-N 308.175 3.150 10 10 DGCE CC[C@H](NCc1ccnn1C)c1cc(Br)ccc1O 71333096 LJLNFDSFIKLXOL-ZDUSSCGKSA-N 324.222 3.129 10 10 DGCE COc1ccc(N2CC[C@H](CNC3CCCC3)C2)c(OC)c1 76375958 AGHJNBPEMZQAHF-CQSZACIVSA-N 304.434 3.062 10 10 DGCE CNCc1ccc(N(CCOC)C(C)C)cc1C(F)(F)F 123492706 MRNZZUIMBXBQQQ-UHFFFAOYSA-N 304.356 3.286 10 10 DGCE COc1ccc(F)c(NCc2ccc(N3CCOCC3)cc2)c1 123895565 HNYRFAFQJHQBJH-UHFFFAOYSA-N 316.376 3.283 10 10 DGCE CCOC(=O)[C@H](NCCCN=[N+]=[N-])c1ccc(Cl)cc1F 161187105 DGTFOQYRJUIHBL-GFCCVEGCSA-N 314.748 3.373 10 10 DGCE COCCN(C)c1ccc(CNC(C)C)c(C(F)(F)F)c1 167367667 CYUCXACAPWZYBU-UHFFFAOYSA-N 304.356 3.286 10 10 DGCE Cc1ccc([C@H](C)NCc2cn(C)nc2C(F)(F)F)c(O)c1 186151897 WFPOFDUPWMHSRX-JTQLQIEISA-N 313.323 3.304 10 10 DGCE COc1cc(N(C)C[C@@H](O)C2CCCCC2)cc(OC)c1OC 190599680 VXHSYFBAFGPDFQ-OAHLLOKOSA-N 323.433 3.090 10 10 DGCE COCCCNCc1ccc(N2CCC[C@@H](C)C2)c(OC)c1 212651821 JFXKUGBTBKDFFQ-OAHLLOKOSA-N 306.450 3.058 10 10 DGCE Cc1cc(S(=O)(=O)Nc2ccc(O)c(F)c2)sc1Cl 231809125 ZROAURVDTGWRCH-UHFFFAOYSA-N 321.782 3.355 10 10 DGCE CCN(CCc1nccs1)Cc1ccc(N(C)C)c(F)c1 271187376 NRDVBLOFMOQUAR-UHFFFAOYSA-N 307.438 3.413 10 10 DGCE CCOc1cccc(CN2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c1O 272370527 BMCROUYQJYMNEL-CABCVRRESA-N 307.434 3.020 10 10 DGCE CN(Cc1cnccn1)Cc1ccc(N(C)C)cc1C(F)(F)F 279635363 LILKPQKRHNZWGK-UHFFFAOYSA-N 324.350 3.193 10 10 DGCE CC[C@H](N[C@H](CC)[C@@H](O)C(F)F)c1ccc(N(C)C)cc1 296316677 GQEPLYPCYNMDDD-RRFJBIMHSA-N 300.393 3.198 10 10 DGCE Cc1cc(Cl)cc(CN2CC[C@H](Cc3cnn(C)c3)C2)c1O 367718457 GZGDQRFKFKFYME-CYBMUJFWSA-N 319.836 3.152 10 10 DGCE CN(CCCOCc1ccccc1)CCOc1ccc(N)cc1 383861384 TYAZAVOUWHTJLY-UHFFFAOYSA-N 314.429 3.186 10 10 DGCE Cc1cc(CNCc2cc(Br)ccc2O)sn1 404307232 CLWVTDMTZLYADQ-UHFFFAOYSA-N 313.220 3.209 10 10 DGCE Nc1cccc(Br)c1N[C@@H]1CCN2CCC[C@@H]2C1 700037474 WPDKSNNRKFHLCM-GHMZBOCLSA-N 310.239 3.070 10 10 DGCE CC[C@H](c1cc(Br)ccc1O)N1C[C@H](N)C[C@@H]1C 702642874 HJBIJQRTYOMDAO-UFGOTCBOSA-N 313.239 3.027 10 10 DGCE C[C@@H]1[C@H](NCc2cc(F)ccc2O)CCN1C(=O)OC(C)(C)C 704617739 SQMWXUHNGBGJPC-BXUZGUMPSA-N 324.396 3.019 10 10 DGCE Oc1ccc(Br)cc1CNCC[C@@H]1CCSC1 704812927 FLRRHTWTAQSZSR-SNVBAGLBSA-N 316.264 3.388 10 10 DGCE C[C@H](N[C@H]1CCCC12OCCO2)c1ccc2ccccc2c1O 715601745 OMDSVASLLRDANU-GUYCJALGSA-N 313.397 3.492 10 10 DGCE CCc1nc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2O)cs1 756555650 UHCZRVOFTGVIIL-SECBINFHSA-N 307.375 3.170 10 10 DGCE COc1ccc(CNC(=O)/C(C)=C/c2ccc(F)cc2)c(O)c1 794381116 LCPVQMXDYHBZKG-FMIVXFBMSA-N 315.344 3.260 10 10 DGCE CC[C@H](C)[C@@H](C)C(=O)NCc1cc(Br)ccc1O 804739789 SYSCKNROXHQTHF-VHSXEESVSA-N 314.223 3.453 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCc2nccnc2C1 827692302 HTQHECWNPOXXES-UHFFFAOYSA-N 310.184 3.047 10 10 DGCE Cc1nc(CN[C@@H]2CCc3cccc(O)c32)nc2ccccc12 834558229 CYZKPRHBJAYSMS-MRXNPFEDSA-N 305.381 3.421 10 10 DGCE Cc1ncsc1CCNC/C=C\c1ccc(N(C)C)cc1 835053462 CQDFNXHMKDXCSJ-PLNGDYQASA-N 301.459 3.363 10 10 DGCE C[C@@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@H](CC(C)(C)C)C1=O 843309485 ZIRHFNADRQJJKV-SWLSCSKDSA-N 317.433 3.170 10 10 DGCE COc1ccc(F)cc1CN[C@@H](C)c1cccc(OC)c1O 846165297 VBWYWFWMRWTRKH-NSHDSACASA-N 305.349 3.399 10 10 DGCE Cc1cc(C(=O)N2CC(CC3CC3)C2)c(C)n1-c1ccccn1 857409905 ZLAZRKWSSMQYKE-UHFFFAOYSA-N 309.413 3.361 10 10 DGCE CN1CCN(c2ccc(CNC[C@@H]3CCCC34CC4)cc2)CC1 858332926 RLRYJJSFSKODNU-SFHVURJKSA-N 313.489 3.108 10 10 DGCE CN(C)c1ccc(CNC[C@H]2CCC23CCOCC3)cc1F 865778051 FVVKVHHQJMRNIZ-OAHLLOKOSA-N 306.425 3.188 10 10 DGCE Cc1nc(C)c(CCNC(=O)N[C@@H](C)c2ccccc2O)s1 868229493 SVTYOBMKFOQSAU-JTQLQIEISA-N 319.430 3.068 10 10 DGCE CCO[C@@H](CCNC(=O)N[C@@H](C)c1ccccc1O)C(C)C 868328499 HEFKWUYKDDRPGW-BBRMVZONSA-N 308.422 3.204 10 10 DGCE O=C(CCC[C@@H](O)c1ccccc1)NCc1c(O)cccc1F 928706980 ZEMGKRJKJCPRHU-MRXNPFEDSA-N 317.360 3.051 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)c1ccc(CF)cc1 1142730632 BOQJTXDQTDUVLC-UHFFFAOYSA-N 310.328 3.340 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N2CCc3cccc(F)c32)cc1 1150006828 FWNFJVIXFSRAPO-UHFFFAOYSA-N 312.304 3.191 10 10 DGCE COC(=O)c1ccc(CN[C@H](C)c2ccccc2O)cc1F 1175419849 YQSNTZYUAVZTMV-LLVKDONJSA-N 303.333 3.169 10 10 DGCE Cc1ccc(O)c(CNC(=O)N[C@@H](CF)c2ccc(F)cc2)c1 1254461948 KLZBVHJFLWTBEW-HNNXBMFYSA-N 320.339 3.350 10 10 DGCE Cc1cc(O)c(CN2CCc3cc(Cl)nnc3C2)cc1Cl 1328208662 HGHXCEBUGUJQLG-UHFFFAOYSA-N 324.211 3.356 10 10 DGCE O=C(NCc1ccc2sccc2c1)c1c(F)ccc(O)c1O 1558993077 NXDKYJBMCZRWPJ-UHFFFAOYSA-N 317.341 3.382 10 10 DGCE COc1ccc(/C=C/C(=O)NCc2cc(Cl)ccc2O)cc1 1628681077 UPHYOCIBQOENHX-RUDMXATFSA-N 317.772 3.384 10 10 DGCE COc1ccc(N(C)CCN(C)C/C(Cl)=C\Cl)cc1 1659280586 GPYGYCDLHMTUOV-ZRDIBKRKSA-N 303.233 3.382 10 10 DGCE COc1cc(Cl)cc(CNCC2(Br)CC2)c1O 1665808797 FJGMOPVMZFYTRD-UHFFFAOYSA-N 320.614 3.071 10 10 DGCE CC1=NN(Cc2ccccc2)C(=O)/C1=C/c1ccccc1[N+](=O)[O-] 1865677861 HBOYDCRDCKNPAE-LFIBNONCSA-N 321.336 3.397 10 10 DGCE CN(Cc1ccc(Br)c(N)c1)Cc1ccccc1O 1877518302 SHPRAOVMWBKMLM-UHFFFAOYSA-N 321.218 3.369 10 10 DGCE Oc1c(Cl)cccc1CN[C@H]1CCOC[C@H]1C(F)(F)F 1916615485 KQKOWEYCNYHHRB-KOLCDFICSA-N 309.715 3.103 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@](N)(c2ccccc2O)CCC1(C)C 1939479390 XTFSIIJLEILRIF-GOSISDBHSA-N 320.433 3.356 10 10 DGCE CN(c1ccc(CN)c(F)c1)[C@@H]1CC[C@H]1OCc1ccccc1 1939611934 OLWVYYVEOROZMH-RTBURBONSA-N 314.404 3.468 10 10 DGCE CCc1cccc(CNCc2nccn2Cc2ccccc2)c1O 1942381312 AGCHEUPUNQDTFC-UHFFFAOYSA-N 321.424 3.489 10 10 DGCE CC(C)(C)OC(=O)NC1(c2cccc(N)c2O)CC(F)(F)C1 1953062770 INRWMJGJKROSCK-UHFFFAOYSA-N 314.332 3.124 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)N2CCCCN=[N+]=[N-] 1962305728 VIJUKWAQNJKTHI-BETUJISGSA-N 309.414 3.161 10 10 DGCE Cc1cccc(O)c1CN[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C 1976896474 OLJKQRHVVVQLGN-ZFWWWQNUSA-N 320.433 3.188 10 10 DGCE Nc1ccc(CCN2CCC[C@@H](OCc3ccccc3)C2)cc1 1987067304 VULJYRVCHLJGSQ-HXUWFJFHSA-N 310.441 3.493 10 10 DGCE Cc1ccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)c(O)c1 1994458571 VJHPOYZUDZNNMM-ZFWWWQNUSA-N 320.433 3.188 10 10 DGCE C[C@H]1C[C@](N)(c2ccc3c(c2)CCN3C)CN1Cc1ccccc1 1999506295 CYNZFBCVIVFTLH-HRAATJIYSA-N 321.468 3.127 10 10 DGCE CN(Cc1ccc(N)cc1)Cc1cnsc1Br 2007012312 LVYLNAJAOSEKRV-UHFFFAOYSA-N 312.236 3.120 10 10 DGCE C[C@@]1(C(F)F)C[C@@H]1NCc1cccc(Br)c1O 2008230650 PIXPEXUCPNDLKV-JOYOIKCWSA-N 306.150 3.288 10 10 DGCE CCOC(=O)c1cc(C2CC2)nn1[C@H](C)c1ccc(F)cc1O 2069904413 FMANLYGWOXAZAV-SNVBAGLBSA-N 318.348 3.391 10 10 DGCE COc1ccc([C@H](C)n2ncc(C3CCCC3)c2N)c(O)c1 2070217650 MXQQBEVXXIDIBR-NSHDSACASA-N 301.390 3.446 10 10 DGCE COc1cccc(O)c1[C@H](C)n1ncc(-c2ccccc2)c1N 2070241602 VUNSONOLHDFLIZ-LBPRGKRZSA-N 309.369 3.456 10 10 DGCE Nc1ccc(CC[C@@H](O)c2ccncc2Br)cc1 2080158241 CLJZDTPLEYLNCH-CQSZACIVSA-N 307.191 3.093 10 10 DGCE N[C@@H]1C[C@H]2C[C@@H](C1)N(Cc1cc(Cl)cc(Cl)c1O)C2 2088296859 LYNMKKWPYDGLDH-AXTRIDKLSA-N 301.217 3.011 10 10 DGCE O=C(O)c1ccc(Sc2ncc(C(F)(F)F)s2)nc1 2099853740 RFNHAIQGBZMHPB-UHFFFAOYSA-N 306.290 3.406 10 10 DGCE OCc1ccc(N2CCCSC[C@H]2C(F)(F)F)c(F)c1 2143617756 UJEXDMYJFLLGIQ-LBPRGKRZSA-N 309.328 3.192 10 10 DGCE COCCNCc1cnc(Sc2ccccc2OC)s1 2155334822 RENSKNQPVSDRGP-UHFFFAOYSA-N 310.444 3.039 10 10 DGCE CN(C)c1ccc([C@@H](N)c2ncc(C(F)(F)F)s2)cc1 2156069756 BRORPCYBWYGRMW-LLVKDONJSA-N 301.337 3.276 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNc1cnc2nccn2c1 2167590942 QQHRQCPCYZZJDN-UHFFFAOYSA-N 309.156 3.354 10 10 DGCE CCOc1cc(CNCc2cnc(SC)s2)ccc1O 2208482581 SJYGOXSMNUSOQB-UHFFFAOYSA-N 310.444 3.259 10 10 DGCE CN[C@@H](CN(C(=O)OC(C)(C)C)C1CCC1)c1ccccc1O 2244949591 TWUZKUQMSWMVGA-HNNXBMFYSA-N 320.433 3.442 10 10 DGCE O=C1C(=Cc2ccccc2F)SC(=S)N1C[C@H]1CCCO1 2293631463 SPZIUJWGHLTEIQ-LLVKDONJSA-N 323.414 3.206 10 10 DGCE COc1ccc2ccccc2c1C=C1SC(=S)NC1=O 2295596608 YGHRMTBYJMUQLI-UHFFFAOYSA-N 301.392 3.337 10 10 DGCE Cc1cc(C=C2NC(=O)NC2=O)c(C)n1-c1ccc(C(C)C)cc1 2297311276 DIKCBTRUNPSVLF-UHFFFAOYSA-N 323.396 3.398 10 10 DGCE CC(C)CN1N=C(C(F)(F)F)C(=Cc2cccc(O)c2)C1=O 2332094798 IYYHFCZROXIPLQ-UHFFFAOYSA-N 312.291 3.192 10 10 DGCE CC(=O)N1CCc2cc(NCc3ccc(N(C)C)cc3)ccc21 71701241 ISRVHODRWWCFSG-UHFFFAOYSA-N 309.413 3.274 10 10 DGCE CCCCCOc1ccc(N2CC[C@@H](CNCCCO)C2)cc1 76359899 GXHRNOASGPTQFJ-KRWDZBQOSA-N 320.477 3.054 10 10 DGCE CCN[C@H](C)c1ccc(N(C)Cc2nccn2C)cc1Cl 78927846 KNEBHGNOICPDFH-GFCCVEGCSA-N 306.841 3.380 10 10 DGCE CC[C@@]1(C)CN(c2ccc(OC)c(Br)c2)CCN1 88331059 QSCKTQPUCMXMII-AWEZNQCLSA-N 313.239 3.036 10 10 DGCE CCOc1ccc(O)c(CN(CCOC)Cc2ccco2)c1 92562594 CYIHIXVFJUPDEK-UHFFFAOYSA-N 305.374 3.033 10 10 DGCE CC[C@H](C)N(CCOC)Cc1cc(Br)ccc1O 133358889 IKQSDRFBONURAH-NSHDSACASA-N 316.239 3.402 10 10 DGCE CC(C)NCc1ccc(N2CCOCC2)c(C(F)(F)F)c1 163652400 JAASQRFWTDWDEF-UHFFFAOYSA-N 302.340 3.040 10 10 DGCE COc1cc(N(C)C[C@H](O)C2CCCCC2)cc(OC)c1OC 190599661 VXHSYFBAFGPDFQ-HNNXBMFYSA-N 323.433 3.090 10 10 DGCE CCN(CC)c1ccc(CN[C@@H]2C[C@H](C)N(C)C[C@H]2C)cc1F 248185126 XDSHRKJONXCZCY-RVKKMQEKSA-N 321.484 3.490 10 10 DGCE C[C@@H](O)c1ccc(N2CCO[C@@H](C(F)(F)F)C2)c(Cl)c1 698772524 MLEPPHNBDKSDKU-PRHODGIISA-N 309.715 3.161 10 10 DGCE C[C@@H](NCc1cccc(Br)c1O)c1ccns1 715945923 UURCIDUIAVHNJR-MRVPVSSYSA-N 313.220 3.462 10 10 DGCE Cc1cnc(CNCc2cc(Br)ccc2O)c(C)c1 724034974 VBJUOSMLTGROIA-UHFFFAOYSA-N 321.218 3.456 10 10 DGCE Cc1c(CNC(=O)NCc2ccccc2O)oc2ccccc12 734662832 DNTLLYUUCLBQDC-UHFFFAOYSA-N 310.353 3.446 10 10 DGCE COC(=O)c1ccc(O)c([C@H](C)N[C@H]2CCCC(F)(F)C2)c1 756764354 HATXSAUPVMBEHE-JQWIXIFHSA-N 313.344 3.407 10 10 DGCE COc1c([N+](=O)[O-])ccc(CN2CCC3(CCCCC3)C2)c1O 774908561 MAMRXASTVKLIDQ-UHFFFAOYSA-N 320.389 3.465 10 10 DGCE CC(C)[C@@H]1CC[C@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1 796703702 UIBDHQLCXNYVLE-FUHWJXTLSA-N 320.452 3.311 10 10 DGCE CC(C)[C@H]1C[C@H](CNCc2ccc(N(C)C)c(F)c2)CCO1 824798611 GFJDILMKUXHDMC-CRAIPNDOSA-N 308.441 3.433 10 10 DGCE CN(C)c1ccc(/C=C/CN2CC[C@H]([C@@H]3CCOC3)C2)cc1 835029685 VWCZYYSPNWGCKM-UYLIBMQOSA-N 300.446 3.124 10 10 DGCE C[C@@H](C(=O)NCc1cc(Br)ccc1O)C1CCC1 837643762 QYPAJXNAIBANES-SECBINFHSA-N 312.207 3.207 10 10 DGCE CCOc1ccc(O)c(CN(CCCN)Cc2ccccc2)c1 843107203 CILTXTAZBWSHJJ-UHFFFAOYSA-N 314.429 3.142 10 10 DGCE Cc1ccc([C@@H](C)N[C@H]2Cc3ccccc3N(C)C2=O)c(O)c1C 850502772 ZHIIKMTWJPDMJA-PBHICJAKSA-N 324.424 3.247 10 10 DGCE CCCCN(Cc1ccccc1O)CC1(O)CCSCC1 852017363 CANQCXSQHDMRNB-UHFFFAOYSA-N 309.475 3.252 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3COC[C@@H]3C2)cc1 856152889 HUKFYZMYHADLPG-ROUUACIJSA-N 324.424 3.203 10 10 DGCE COc1cccc([C@H](C)Nc2cccc(-n3nccn3)c2)c1O 864023194 PIRAUHPAXHGBPV-LBPRGKRZSA-N 310.357 3.155 10 10 DGCE COc1cccc([C@H](C)NCc2ccc(C)c([N+](=O)[O-])c2)c1O 866539262 AKMOUUPSYQQDEL-LBPRGKRZSA-N 316.357 3.468 10 10 DGCE Cc1cnc(F)c(C(=O)NCc2c(O)ccc3c2CCCC3)c1 866770909 INYRINCQCZZTQD-UHFFFAOYSA-N 314.360 3.044 10 10 DGCE NCc1ccc2c(c1)CCCN2C[C@@H]1CC[C@@H](C(F)(F)F)O1 903423532 WAKQIVJRRIGZSI-ZFWWWQNUSA-N 314.351 3.008 10 10 DGCE CCN(CC)c1ccc(CN[C@H]2C[C@H]3CC[C@@H](N3)[C@H]2C)cc1 925480611 MVALCFPPKBTSSH-OPNNQBFTSA-N 301.478 3.151 10 10 DGCE CN(Cc1ccccc1O)C[C@H]1CCC[C@H](C(F)(F)F)O1 929976238 MKYPESAXGKCUEG-TZMCWYRMSA-N 303.324 3.324 10 10 DGCE Cc1cc(C)c(C(=O)NCc2cc(Br)ccc2O)[nH]1 1117269452 NWDUAVZOWWVKHA-UHFFFAOYSA-N 323.190 3.030 10 10 DGCE CCN(CCSC)C(=O)c1cc2cc(O)c(O)cc2s1 1119563270 BVLDNFBQWAHVLZ-UHFFFAOYSA-N 311.428 3.138 10 10 DGCE Cc1cc(CN(C)C[C@H](C)C(=O)OC(C)(C)C)ccc1N(C)C 1307827118 ISVGCDGMFMJCHW-HNNXBMFYSA-N 320.477 3.471 10 10 DGCE O=C(NCc1cccc(Cl)c1O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 1313062131 DSAGPMGUMCSUSK-WZRBSPASSA-N 308.809 3.281 10 10 DGCE COc1ccc(CCNC/C=C/c2ccc(N(C)C)cc2)cn1 1328788979 JNKDIDHJTAZNIY-SNAWJCMRSA-N 311.429 3.002 10 10 DGCE CN(C)c1ccc(CNC(=O)[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)cc1 1351256072 MIFZQXFMNYZRAE-VHDGCEQUSA-N 308.372 3.050 10 10 DGCE CN(C)c1ccc(CNC(=O)c2cnc3ccccc3c2)cc1 1353505388 YVZKRGYAVNMHDG-UHFFFAOYSA-N 305.381 3.231 10 10 DGCE Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCOC2)c1 1537997737 ZGVMDAWHESSNTE-UHFFFAOYSA-N 304.777 3.177 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)N[C@H]2CO[C@H](C)C2)c1 1557342039 XQTJVBOUVVMCJG-HZPDHXFCSA-N 312.413 3.310 10 10 DGCE Cc1cc(C)c2cc(C(=O)NCc3cc(O)ccc3O)[nH]c2c1 1558174391 LYUZHWSCWWULNT-UHFFFAOYSA-N 310.353 3.126 10 10 DGCE O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1Cc2cccc(O)c2C1 1632704104 WOMIPWVJOONTNJ-UHFFFAOYSA-N 323.327 3.077 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2ccc(F)c3cccnc23)c1 1641732481 CIFRSSVSJPANHD-UHFFFAOYSA-N 310.328 3.318 10 10 DGCE C[C@]1(C(F)(F)F)CN(Cc2ccc(Cl)cc2O)CCO1 1665493632 HVMKZVQUTZREGJ-GFCCVEGCSA-N 309.715 3.199 10 10 DGCE O=C(CCn1c2c(c3ccccc31)CCCC2)Nc1ccncn1 1850434795 RXCSRVGHPQTFMA-UHFFFAOYSA-N 320.396 3.339 10 10 DGCE CCC1=NN(Cc2ccccc2F)C(=O)/C1=C/c1cccnc1 1865672767 KPUPHQRIZGDVGW-XNTDXEJSSA-N 309.344 3.413 10 10 DGCE CC(C)(C)OC(=O)N1CCC(=O)C[C@H]1c1ccc(F)cc1O 1952072201 QNKXWAGCMVDOBJ-ZDUSSCGKSA-N 309.337 3.172 10 10 DGCE CC(C)(C)OC(=O)Nc1ccc(O)c([C@H]2CC(F)(F)CN2)c1 1952834396 OPEYYVXBVHGTPW-LLVKDONJSA-N 314.332 3.409 10 10 DGCE Cc1cccc(N)c1NC1CCN(C(=O)OC(C)(C)C)CC1 1959375050 ZJYAVIVZJGTLQK-UHFFFAOYSA-N 305.422 3.389 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCCN2CCN=[N+]=[N-])C1 1962305239 RLKAZRROQSRVKO-CHWSQXEVSA-N 309.414 3.018 10 10 DGCE C[C@H]1CCN(CCCN=[N+]=[N-])[C@H](CNC(=O)OC(C)(C)C)C1 1962306041 XCSASSXAEYUYKJ-STQMWFEESA-N 311.430 3.312 10 10 DGCE Oc1c(F)cc(Br)cc1CNC[C@@H]1CC[C@H]2C[C@@H]21 1966008561 RSKXIWRRQFRYLB-AUTRQRHGSA-N 314.198 3.430 10 10 DGCE C[C@@H]1OCC[C@H]1CCNCc1c(O)cccc1Br 1972151670 XRWVKLIUHNMSRS-WDEREUQCSA-N 314.223 3.059 10 10 DGCE CO[C@@H]1[C@H](NCc2cc(Br)ccc2O)CC1(C)C 1974252509 LPAWMYRFKCJCLI-DGCLKSJQSA-N 314.223 3.058 10 10 DGCE CCOc1ccc(N(CCN)Cc2ccccc2)cc1OCC 1977738037 SUOFKFMHYRVMCE-UHFFFAOYSA-N 314.429 3.449 10 10 DGCE C[C@@]12CC[C@@H](CN1c1cc(Br)c(CN)cc1F)C2 2029192088 CTORIVQVLUKEHT-OTYXRUKQSA-N 313.214 3.426 10 10 DGCE C[C@@]1(C(F)F)C[C@H]1NCc1cc(Br)cc(F)c1O 2057274598 UNSVMGAGWAMMBL-BXKDBHETSA-N 324.140 3.427 10 10 DGCE O=C(Nc1ccc(O)c(O)c1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 2062727153 QLSYIJVUAKJNNX-RKDXNWHRSA-N 303.280 3.405 10 10 DGCE COc1ccc(O)c([C@@H](C)n2nc(C(C)C)cc2CN(C)C)c1 2070132337 VEGMAJHNVHULPD-CYBMUJFWSA-N 317.433 3.392 10 10 DGCE C[C@H]1CC[C@H](CN(C)Cc2c(O)cccc2Br)O1 2075393842 YNZYFZQAFKNHHK-WDEREUQCSA-N 314.223 3.154 10 10 DGCE COc1ccc(CNc2ccc(C)nc2Br)c(O)c1 2125205599 FMRPFMMOLNVTRU-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE C[C@@H]1[C@H](NCc2cc(Cl)cc(Cl)c2O)C2CCN1CC2 2192787465 KPDRBXLEXSVFEK-OTYXRUKQSA-N 315.244 3.271 10 10 DGCE COc1ccc(Br)c(CN[C@@H]2C[C@@H]3C[C@@H]3C2)c1O 2220463335 ZKVLJLLODGJDPH-MYJAWHEDSA-N 312.207 3.051 10 10 DGCE CN[C@@H]1CCN(c2ccc(OC)cc2Br)[C@@H](C)C1 2221628698 VPYFVWXPRXURCM-WDEREUQCSA-N 313.239 3.034 10 10 DGCE CCNCc1ccc(N(C)C2CSCCSC2)cc1C 2237077903 UQHXZLIAIPTFDL-UHFFFAOYSA-N 310.532 3.389 10 10 DGCE Cc1ccc2nc(C(=O)O)c(N=Nc3ccc4c(c3)OCO4)n2c1 2320769292 UAFNRTGRJDFCOR-UHFFFAOYSA-N 324.296 3.485 10 10 DGCE CCC1=NN(c2ccccn2)C(=O)C1=Cc1ccccc1OC 2332143041 CHUNBBPJIKGISQ-UHFFFAOYSA-N 307.353 3.286 10 10 DGCE COCCCNC[C@@H]1CCN(c2ccc(OCC(C)C)cc2)C1 76376652 MQMVXKTZNDPZNZ-KRWDZBQOSA-N 320.477 3.174 10 10 DGCE CCN[C@@H](CSc1nccs1)c1ccc2c(c1)OCCO2 81889462 QJRCHPKIZWPYLE-LBPRGKRZSA-N 322.455 3.357 10 10 DGCE COc1cc(OC)c(N2C[C@H](C(C)C)NC[C@@H]2C)cc1Cl 86155307 YTAMYCBTVSESNW-WCQYABFASA-N 312.841 3.180 10 10 DGCE COc1ccc(CCCN(C)Cc2ccc(OC)cc2O)cc1 92163915 FURPDSADHATIKW-UHFFFAOYSA-N 315.413 3.474 10 10 DGCE C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)C1CCCC1 172701935 IKZXIURUMHQEKM-OAHLLOKOSA-N 313.445 3.441 10 10 DGCE CCN[C@H](C)c1ccc(N(CCO)CC(F)F)c(Cl)c1 231322639 NHEUZILOBUXVRJ-SNVBAGLBSA-N 306.784 3.074 10 10 DGCE CC[C@@H](CNC(=O)OC(C)(C)C)N[C@@H](C)c1c(O)cccc1O 233886116 JXOBUOOQGQSLEE-RYUDHWBXSA-N 324.421 3.052 10 10 DGCE Nc1ccc(CCNC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)cc1 237947157 MHPZCRKXEKVXGF-IRXDYDNUSA-N 314.816 3.385 10 10 DGCE CC[C@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)[C@@H]1CCCO1 246272891 ATHBDEMBIHHPSF-MNEFBYGVSA-N 318.461 3.131 10 10 DGCE Cc1ccc2c(O)c3c(c(O)c2c1)C(=O)c1ccccc1C3=O 256441798 QMPICXUQUMUAHJ-UHFFFAOYSA-N 304.301 3.335 10 10 DGCE Nc1ccc(O[C@H]2CC[C@H]3C[C@H]2CN3C(=O)c2ccccc2)cc1 259394121 BVRQGVWZLIVTAZ-IEZWGBDMSA-N 322.408 3.341 10 10 DGCE CCOCc1cc(CNCCc2ncccc2C)ccc1OC 294687786 AJEXBRJKWJIQNI-UHFFFAOYSA-N 314.429 3.267 10 10 DGCE CCCN(Cc1ccccc1)c1cc2c(cc1N)OCC(=O)N2 302869033 XMOSDBAZBLTKFN-UHFFFAOYSA-N 311.385 3.016 10 10 DGCE CN(CC1CCC1)c1cc(Br)c(CN)cc1F 310133192 IFTGIWYDENMTOE-UHFFFAOYSA-N 301.203 3.283 10 10 DGCE C[C@H](CCNCc1cccc(O)c1O)N(C)Cc1ccccc1 379659244 ZGMZECPPDNOFFK-OAHLLOKOSA-N 314.429 3.098 10 10 DGCE CN(C)c1ccc([C@H](N)Cc2ccc(Br)o2)cc1 385979341 NWDHVJSRNONPSQ-CYBMUJFWSA-N 309.207 3.351 10 10 DGCE CN(C(=O)c1cc(O)cc(Br)c1)c1ccc(N)cc1 700790231 LGMZFLIFPFQWHW-UHFFFAOYSA-N 321.174 3.014 10 10 DGCE CCOC(=O)CN(Cc1ccc(N(C)CC)cc1)C1CCC1 773844939 IZYDQQRJPVQREJ-UHFFFAOYSA-N 304.434 3.060 10 10 DGCE CCCn1cc(CNCc2cccc(Br)c2O)cn1 775151401 FOQIPAJZEGYSDW-UHFFFAOYSA-N 324.222 3.051 10 10 DGCE CC(C)[C@@H]1C[C@@H]1C(=O)NCc1cc(Br)ccc1O 804738641 YFDKQPUXFYTRNL-RYUDHWBXSA-N 312.207 3.063 10 10 DGCE O=C1[C@@H](N[C@H]2CCc3cccc(O)c32)CCCN1c1ccccc1 834585110 GCTHWKKNVCXXMM-IRXDYDNUSA-N 322.408 3.165 10 10 DGCE C[C@@H](CO)N(C/C=C/c1ccc(N(C)C)cc1)CC1CCC1 835049529 JNGKWIMMZCHXST-WHWKNOJMSA-N 302.462 3.249 10 10 DGCE O=C(C[C@@H](c1ccc(O)cc1)C1CC1)NCc1ccccc1O 839612273 OWCDCKLXLAKUKF-QGZVFWFLSA-N 311.381 3.298 10 10 DGCE C/C(=C/c1cccnc1)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 846977676 KRAGWCPKXHOLAN-ZSMUJPCHSA-N 309.413 3.428 10 10 DGCE CN(C)[C@H]1C[C@@H](CNCc2cc(Cl)cc(Cl)c2O)C1 848562303 HLAVHCGPKKWXAK-WVSHTKLVSA-N 303.233 3.129 10 10 DGCE C[C@@H](NCc1ccc(N2CCOCC2)cc1)C(C)(C)C(F)F 850427612 XJIOJWMTWSSTSD-CYBMUJFWSA-N 312.404 3.293 10 10 DGCE O=C(NCc1ccccc1O)N[C@@H](C(F)F)C1CCCCC1 856888692 UPBJPOGHHFRJCG-CQSZACIVSA-N 312.360 3.405 10 10 DGCE CN(C)c1cc(F)c(CNCC[C@H]2CCCS2)cc1F 864052303 HHMIRGCWZYWWLK-GFCCVEGCSA-N 300.418 3.406 10 10 DGCE Oc1cccc(Br)c1CNc1cnn2c1CCCC2 865708250 MBVDEGHRAOEFBL-UHFFFAOYSA-N 322.206 3.300 10 10 DGCE CC(C)c1ncc2c(n1)CCN(Cc1cc(F)cc(F)c1O)C2 895387717 DKSNHRYRGCXXIW-UHFFFAOYSA-N 319.355 3.142 10 10 DGCE CN(C)c1cc(F)c(CN2CC[C@@H]([C@H]3CCCO3)C2)cc1F 895846420 UBKFKXDIUAGFLR-SJKOYZFVSA-N 310.388 3.032 10 10 DGCE CC(C)[C@H](C(=O)O)[C@H](C)NC/C=C\c1ccc(N(C)C)cc1 904021174 POAHNZKCEFURKD-GMMSVRSPSA-N 304.434 3.101 10 10 DGCE CN(Cc1ccc(F)c(Cl)c1)C(=O)Cc1ccc(O)c(O)c1 1138230567 XVJZRVBTBPFQCA-UHFFFAOYSA-N 323.751 3.091 10 10 DGCE Cc1ccccc1-n1c(C)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)c1C 1160080539 LSDXNOZKZPDEQJ-KVSKMBFKSA-N 324.424 3.452 10 10 DGCE CN(C)c1ccc(CN2CCN([C@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 1307513666 NCFORIFDTXVOBN-BJLQDIEVSA-N 313.489 3.059 10 10 DGCE Cc1onc(-c2cccnc2)c1C(=O)N1CCOc2ccccc21 1354068167 BNRSMOZYYNFSHJ-UHFFFAOYSA-N 321.336 3.084 10 10 DGCE C[C@H]1C[C@H](c2ccccc2)CN1C(=O)Cc1ccc(O)c(O)c1 1465120261 ROHCAQUMTIYLEZ-BBRMVZONSA-N 311.381 3.045 10 10 DGCE Cc1cncc(/C=C\C(=O)N2CCOc3c2ccc(F)c3F)c1 1529219648 YDRJAVZUJHIKLE-DJWKRKHSSA-N 316.307 3.107 10 10 DGCE CC(C)(C)OC(=O)NC[C@H](N)c1c(O)ccc2ccccc12 1535968410 DUYUHHOIBBZAAP-ZDUSSCGKSA-N 302.374 3.070 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)NCc2cccc(Cl)c2)cc1 1539517655 DEJMUXMQNDTQTH-UHFFFAOYSA-N 316.748 3.432 10 10 DGCE C[C@@H]1C[C@H](C(=O)NCc2c(O)ccc3ccccc23)CCC1=O 1639384445 KMANOLLMULSCHE-TZMCWYRMSA-N 311.381 3.167 10 10 DGCE CC[C@H](CNC(=O)[C@H](C)C(C)C)NCc1ccc(OC)c(C)c1 1715073265 HWOJJAZMFPACSQ-NVXWUHKLSA-N 320.477 3.280 10 10 DGCE CCCNC(=O)c1ccc2[nH]c(-c3ccc(N(C)C)cc3)nc2c1 1872731488 WWYHRAACNARURM-UHFFFAOYSA-N 322.412 3.436 10 10 DGCE CCOC(=O)[C@H](NCCCN=[N+]=[N-])c1cscc1Cl 1912151459 HQBYLHGXIUSMLG-SNVBAGLBSA-N 302.787 3.296 10 10 DGCE Cc1cc(N2CC(N(C)Cc3ccccc3)C2)ccc1C[C@@H](C)N 1914206194 DGHGNBJFVWOPDV-QGZVFWFLSA-N 323.484 3.205 10 10 DGCE CC[C@@H](O)CN(Cc1ccccc1)c1ccc([C@@H](C)O)c(O)c1 1915097694 YFDROWRKQZJSEB-RHSMWYFYSA-N 315.413 3.223 10 10 DGCE C[C@H](N)c1ccc(N(Cc2ccccc2)[C@H](CO)C2CC2)cc1 1915190084 VHNAPTPOZGSTLP-MGPUTAFESA-N 310.441 3.484 10 10 DGCE CC(C)[C@H](CO)N(Cc1ccccc1)c1ccc(CN)cc1F 1915327134 ZSDXUMPBOYIJTR-IBGZPJMESA-N 316.420 3.308 10 10 DGCE C[C@H]1CCO[C@@H]1CCNCc1cccc(Br)c1O 1918153003 OJJNOIOYUSTXJF-GXFFZTMASA-N 314.223 3.059 10 10 DGCE C[C@@H](O)c1ccc(N(C)C2CSC2)c(Br)c1 1936309124 VTPPAMAWVOMBAB-MRVPVSSYSA-N 302.237 3.054 10 10 DGCE CN[C@@H](c1ccccc1O)[C@H](CNC(=O)OC(C)(C)C)C(C)C 1936973349 GGQUXKUQPSDDOK-ZBFHGGJFSA-N 322.449 3.450 10 10 DGCE Cc1cccc([C@@H]2C[C@H](N)CCN2C(=O)OC(C)(C)C)c1O 1952137472 VJBIBXCHBBIOCL-OCCSQVGLSA-N 306.406 3.100 10 10 DGCE [N-]=[N+]=NCCCCNC(=O)C1CC(OCc2ccccc2)C1 1958670181 XHWQONJSXSIAKV-UHFFFAOYSA-N 302.378 3.189 10 10 DGCE OC[C@]1(CNCc2cc(Cl)cc(Cl)c2O)CC12CCC2 1963636375 POOLKJAMKSGWBO-OAHLLOKOSA-N 316.228 3.341 10 10 DGCE Cc1cccc(O)c1CNC[C@H](C)CN(C)C(=O)OC(C)(C)C 1976875630 MKUWHXLYYQSWPC-ZDUSSCGKSA-N 322.449 3.293 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CCCC12CN(c1ccc(N)cc1)C2 1977931134 DWRRMNPKDYXRLS-HNNXBMFYSA-N 317.433 3.152 10 10 DGCE CC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)c1ccc2c(c1)CCN2C 1977959131 QLUZIHXAWINYHQ-GDBMZVCRSA-N 320.433 3.016 10 10 DGCE CC(C)(CO)N(Cc1ccccc1)c1ccc2c(c1)CC[C@H]2N 1986608631 FXQCSMNDDIUSSH-LJQANCHMSA-N 310.441 3.410 10 10 DGCE CN[C@H](c1ccccc1O)c1nc(C)sc1Br 2003570248 MWEWKOJWWCYNNU-SNVBAGLBSA-N 313.220 3.228 10 10 DGCE Oc1c(Br)cccc1CN[C@@H]1C[C@]12CC2(F)F 2004620226 VUUBVRFNVKUPSA-KOLCDFICSA-N 304.134 3.042 10 10 DGCE C[C@@H](CN(C)c1ccc(CO)c(Br)c1)C(F)F 2012199915 IDIDNJHQKCXEJT-QMMMGPOBSA-N 308.166 3.279 10 10 DGCE CO[C@H]1CCCC[C@H]1NCc1cccc(Br)c1O 2027931899 GNELQGSZQSIQSZ-OLZOCXBDSA-N 314.223 3.202 10 10 DGCE C[C@@H](NCc1cc(Br)cc(F)c1O)c1cnco1 2042419408 KGJZSQPCQIOQBR-SSDOTTSWSA-N 315.142 3.133 10 10 DGCE CC[C@@H](O)CN(CC)c1ccc([C@H](C)O)cc1Br 2044542994 DXNBQDDBLGWRHT-CMPLNLGQSA-N 316.239 3.100 10 10 DGCE CNCc1ccc(N2CC(F)(F)C[C@H]2C)c(Br)c1 2051997410 IRHOSTVSFHKMJI-SECBINFHSA-N 319.193 3.402 10 10 DGCE CNCc1ccc(N2CCC[C@@H]2[C@@H](C)F)cc1Br 2060892137 AVZDWGUPCHZLEH-QMTHXVAHSA-N 315.230 3.495 10 10 DGCE CC[C@H](c1ccc(OC)cc1O)n1nc(C)c(CN)c1Cl 2079955919 GYJPSYZVBLVRDQ-CYBMUJFWSA-N 309.797 3.017 10 10 DGCE Oc1cc(Cl)ccc1CN1CCOC[C@@H]1CC(F)(F)F 2150466660 OICQMJRLHNSLTC-NSHDSACASA-N 309.715 3.199 10 10 DGCE CC[C@H]1CC[C@@H](CN(C)c2cc(Cl)c(CN)cc2F)O1 2201398695 YUWMYSJHYREIOT-RYUDHWBXSA-N 300.805 3.332 10 10 DGCE CCC1CC(NCc2c(Br)ccc(OC)c2O)C1 2220462455 LTARWNNLNMETDV-UHFFFAOYSA-N 314.223 3.442 10 10 DGCE CCc1nc2cc(NC(=O)C=Cc3ccc(O)c(O)c3)ccc2o1 2307986502 CZTZUEKVLGRTKU-UHFFFAOYSA-N 324.336 3.453 10 10 DGCE CC(C)(C)c1nnsc1CNCc1c(O)cccc1Cl 2360879701 LPSJCRYMTAELJM-UHFFFAOYSA-N 311.838 3.484 10 10 DGCE CCCNCc1ccc(OC)c(CSc2ccncn2)c1 81886604 DYUDMGBPVLMQEV-UHFFFAOYSA-N 303.431 3.277 10 10 DGCE N[C@@H](c1c(O)cc(Br)cc1Br)C1CC1 95715821 ITRKCEIVMDUBRN-SNVBAGLBSA-N 321.012 3.327 10 10 DGCE C[C@H]1CN(c2ccc(CNC3CC3)cc2Cl)C[C@H](C)N1C 127919054 QZFABMHGZLSMKF-STQMWFEESA-N 307.869 3.121 10 10 DGCE C[C@H](O)CCN(C)c1c(F)cc(CNC(C)(C)C)cc1F 135582513 JXPRHEUMEZSZKH-NSHDSACASA-N 300.393 3.060 10 10 DGCE CC(C)CCOC1CCN(Cc2cc([N+](=O)[O-])ccc2O)CC1 170913015 MYGQDQWHPYGSJN-UHFFFAOYSA-N 322.405 3.328 10 10 DGCE COc1ccc2c(c1)CCN2Cc1nccn1CC(F)(F)F 171381761 DEFAZVOHQCVGBD-UHFFFAOYSA-N 311.307 3.017 10 10 DGCE Cc1cccc([C@H]2CCCN2Cc2cc([N+](=O)[O-])ccc2O)n1 178121347 SKYLVIYZGQEPTD-MRXNPFEDSA-N 313.357 3.341 10 10 DGCE Cc1ccc(O)c([C@@H](C)NCC[C@@H]2C(=O)Nc3ccccc32)c1 185878026 GIGJCYNMJHDDFG-HIFRSBDPSA-N 310.397 3.477 10 10 DGCE COc1cc(Cl)cc(CN[C@@H](CC(C)C)CN(C)C)c1O 228673288 CNSYWIRHHFBIFS-AWEZNQCLSA-N 314.857 3.120 10 10 DGCE C[C@@H](N)c1ccc(N(C)[C@H]2CCO[C@@H]2C)cc1Br 235209126 UGBIOUMPNMKXPW-RULNRJAQSA-N 313.239 3.082 10 10 DGCE COc1cccc(CNC(=O)/C(C)=C\c2ccc(F)cc2)c1O 255848287 WPAXTIWQCBGKMP-BENRWUELSA-N 315.344 3.260 10 10 DGCE O=[N+]([O-])c1c(I)ccc2c(O)csc12 307432512 MSHSHLJVPWBXDQ-UHFFFAOYSA-N 321.095 3.120 10 10 DGCE COCC1(CNCc2cc(Br)ccc2O)CCC1 311239090 XXWVZNCBDIJNSD-UHFFFAOYSA-N 314.223 3.061 10 10 DGCE CCc1cccc(CNC/C=C/CNC(=O)OC(C)(C)C)c1O 691513927 QXTPKBNQYUCTBU-VOTSOKGWSA-N 320.433 3.125 10 10 DGCE CCC(F)(F)CN(C)c1ccc(CO)cc1Br 692397522 AJQZGKMJYAWGPN-UHFFFAOYSA-N 308.166 3.423 10 10 DGCE Oc1ccc(CNCc2cc3cscc3s2)c(O)c1O 703284171 CRXPWSXCNHYQAT-UHFFFAOYSA-N 307.396 3.369 10 10 DGCE CCc1cc(NC(=O)NCc2c(O)ccc3c2CCCC3)no1 743181608 SBTOQHDRENYHCW-UHFFFAOYSA-N 315.373 3.143 10 10 DGCE C[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)c1cccnc1 746172308 KCVVVHLRWLCRFU-MRXNPFEDSA-N 323.440 3.492 10 10 DGCE CCOc1ccc(O)c(CN(CCOC)[C@H]2C[C@H]3CC[C@H]2C3)c1 775206478 PNVRMAGCFQDFSR-MPGHIAIKSA-N 319.445 3.428 10 10 DGCE Oc1ccc(-c2ccccc2)cc1CN1C[C@H](O)CC(F)(F)C1 787438853 XDATUTHWBSFJOU-MRXNPFEDSA-N 319.351 3.261 10 10 DGCE C[C@H](NCC1(CO)CC2(CCC2)C1)c1ccc(N(C)C)cc1 788610345 LLNDDARHSCGMHD-HNNXBMFYSA-N 302.462 3.346 10 10 DGCE CCOc1ccc(O)c(CNC[C@H](CO)C2CCCCC2)c1 815150469 FIXJMLRMSKHMPI-MRXNPFEDSA-N 307.434 3.069 10 10 DGCE COc1ccc(N(Cc2cn(CC3CC3)nn2)CC(C)C)cc1 828206440 VWHNMRVGEDGCDG-UHFFFAOYSA-N 314.433 3.359 10 10 DGCE CN(C)c1ccc(/C=C\CN(C[C@@H]2CCOC2)C2CC2)cc1 835026208 SEFLBXDXDNVXAX-LIMHQNJXSA-N 300.446 3.267 10 10 DGCE CC(C)(C)C1CN(Cc2ccc(N3CCOCC3)c(F)c2)C1 839143791 CCVNJGSWHHLGCL-UHFFFAOYSA-N 306.425 3.140 10 10 DGCE CCN(Cc1ccccc1)C(=O)CN(C)c1ccc(OC)cc1 844353061 FHUGVSFLOTZHSY-UHFFFAOYSA-N 312.413 3.180 10 10 DGCE CCc1cccc(CN[C@H](C)C(=O)OCc2ccccc2)c1O 848922546 RWKJBUVCSRBJGM-CQSZACIVSA-N 313.397 3.176 10 10 DGCE Cc1cc(CN2C[C@@H]3COC[C@]3(C)C2)c(O)c(C(C)(C)C)c1 853565086 AFJLZWOLGJGARC-BEFAXECRSA-N 303.446 3.466 10 10 DGCE C[C@@H](N[C@@H]1CCc2cc(N)ccc21)c1cc([N+](=O)[O-])ccc1O 854227209 UIGSXWLWWPLQDF-QLJPJBMISA-N 313.357 3.221 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)C=C3CCCCC3)C2)cc1 855231989 ZNJPKOJFFAPCMC-MRXNPFEDSA-N 314.429 3.281 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NCc1cn(C)nc1Cl 856790505 BZLNJHYLVYFTLA-ZDUSSCGKSA-N 320.868 3.169 10 10 DGCE C[C@H](N[C@@H]1CCN(C2CCC2)C1=O)c1ccc2ccccc2c1O 858602987 ONUMZUWYTAJVIW-SCLBCKFNSA-N 324.424 3.349 10 10 DGCE COc1ccc(N(CCOC2CCOCC2)CC2CC2)cc1 859324868 ONSHQQACLWLFPK-UHFFFAOYSA-N 305.418 3.107 10 10 DGCE Cc1ccc(O)c(CNC(=O)[C@H](C)OCc2ccccc2C)c1 862754502 ZRMYWQPTUBJTBZ-HNNXBMFYSA-N 313.397 3.231 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@@H](C2CCC2)[C@H]2CCOC2)c1 866512462 KWNRVTUPUFCJBF-YEWDVWPNSA-N 305.418 3.257 10 10 DGCE CC(C)[C@H]1COCC[C@H]1NCCCSc1nccs1 925101487 IGJYQFABIXKLKF-CHWSQXEVSA-N 300.493 3.276 10 10 DGCE COc1ccc(N2CC[C@@H](Nc3nccnc3C(F)F)C2)cc1 1118537608 PWIPYIJSWSAVSU-LLVKDONJSA-N 320.343 3.114 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1ccc(CN(C)C)o1 1294681696 UPPHQHPMOOZBNN-UHFFFAOYSA-N 316.401 3.099 10 10 DGCE CC(C)[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 1540807680 LJPLAXHKTFMAAR-MRXNPFEDSA-N 313.397 3.196 10 10 DGCE CCc1cc2c(NCc3c(O)cccc3O)ncnc2s1 1559287874 HFEGPABVVCRJFO-UHFFFAOYSA-N 301.371 3.277 10 10 DGCE Cc1cc(CC(=O)N(C2CC2)C2COC2)c(C)n1-c1ccccc1 1569551059 XVNILJUPYFXPSP-UHFFFAOYSA-N 324.424 3.026 10 10 DGCE O=C(NCc1ccccc1F)c1cc2cc(O)c(O)cc2s1 1624279720 VWIMSZMPSJVRAP-UHFFFAOYSA-N 317.341 3.382 10 10 DGCE CN(C)c1ccccc1NC(=O)c1ccc(N=NC(N)=O)cc1 1624363837 PNXIASULOBLBOU-UHFFFAOYSA-N 311.345 3.167 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)NCCCc1ccc(Cl)cc1 1627558696 KPAMTYXWKRWAOB-UHFFFAOYSA-N 319.788 3.043 10 10 DGCE CC(C)(CNC(=O)Cc1ccc(O)c(O)c1)Cc1ccccc1 1627954337 XVGFNLPDYWCKPD-UHFFFAOYSA-N 313.397 3.025 10 10 DGCE CC(C)c1cc(C(=O)NCc2c(O)ccc3ccccc23)n(C)n1 1645441283 YGTHJFGTSCAGAA-UHFFFAOYSA-N 323.396 3.332 10 10 DGCE C[C@@H](NC(=O)c1cccn1Cc1ccncc1)c1ccccc1O 1648889844 OPVMOMJXBFONEY-CQSZACIVSA-N 321.380 3.128 10 10 DGCE CN(C)c1ccc(CN2CCN(CCC(C)(C)C)CC2)cc1 1653196621 JFEJQILZRFGAAR-UHFFFAOYSA-N 303.494 3.306 10 10 DGCE CCCOc1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1 1654426726 SQNACVKKLIIQOV-UHFFFAOYSA-N 305.305 3.278 10 10 DGCE Cc1ccc(CN[C@H]2CCN(Cc3ccccc3)[C@@H]2C)c(O)c1 1659952183 LAZMITWHJACKPF-APWZRJJASA-N 310.441 3.453 10 10 DGCE COc1ccc(CNC[C@H](C)N(C)C(=O)C2(C)CCC2)cc1C 1732434208 DOJSNUWSAZRNSU-HNNXBMFYSA-N 318.461 3.130 10 10 DGCE CCOc1ccc(/C=C2/C(=O)N(CC(C)C)N=C2C)cc1OC 1865669415 MLOQHTWBSPHXRZ-OQLLNIDSSA-N 316.401 3.351 10 10 DGCE CC1CC(NC(=O)OC(C)(C)C)([C@@H](N)c2ccccc2O)C1 1930699497 XJZVUMJSYMWLAV-WKXXDYOBSA-N 306.406 3.085 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H](Nc1ccc(N)cc1)C(F)(F)F 1959372307 YCXNIVCNIQJJRE-LLVKDONJSA-N 319.327 3.136 10 10 DGCE C[C@@H]1C[C@H](Nc2ccc(N)cc2)CCN1C(=O)OC(C)(C)C 1959373651 LKLJISOEGOZOLN-IUODEOHRSA-N 305.422 3.469 10 10 DGCE CCN(C(=O)OC(C)(C)C)[C@@H](C)CNCc1ccc(C)cc1O 1994458676 WYYYWBWSKMCWMG-AWEZNQCLSA-N 322.449 3.436 10 10 DGCE CC[C@H](COC)N(C)c1ccc([C@H](C)N)c(Br)c1 2047308851 OEBBSMVQVALNOE-WDEREUQCSA-N 315.255 3.330 10 10 DGCE CC[C@@H](COC)N(C)c1ccc([C@H](C)O)c(Br)c1 2047313238 WZGZHAMTAOWAEM-QWRGUYRKSA-N 316.239 3.364 10 10 DGCE CC(=CC1CCC(C)CC1)C(=O)NCc1cccc(O)c1O 2063825437 YSGWNSVDYVZXSO-UHFFFAOYSA-N 303.402 3.487 10 10 DGCE COc1cnn(Cc2ccc(Br)cc2O)c1Cl 2070300725 IYCJIMFTUDVREH-UHFFFAOYSA-N 317.570 3.062 10 10 DGCE CCNCc1ccc(N2C[C@H]3C[C@H]2[C@H]2C[C@H]32)c(Br)c1 2103270545 JBPUXCZDSHIQKX-FOCJUVANSA-N 321.262 3.403 10 10 DGCE Cn1ccnc1[C@H](Nc1c(N)cccc1Br)C1CC1 2125221845 DIPKNUIUFMKIKS-GFCCVEGCSA-N 321.222 3.328 10 10 DGCE CN1CCc2cc([C@H](O)[C@@H](N)c3cscc3Cl)ccc21 2148346380 LDBHIJGITHYZBQ-GJZGRUSLSA-N 308.834 3.127 10 10 DGCE CNCc1ccc(N(C)Cc2cc(Cl)n(C)n2)c(Cl)c1 2166505921 GGCOXJAIRJLCLG-UHFFFAOYSA-N 313.232 3.083 10 10 DGCE CCCNCc1ccc(N2CCOC[C@@H]2CF)c(Cl)c1 2182600460 RWRIFIOBPMBTBV-ZDUSSCGKSA-N 300.805 3.014 10 10 DGCE CN(Cc1ccccc1Cl)C(=O)C=Cc1ccc(O)c(O)c1 2307981992 IUVLNVQAWBMYDX-UHFFFAOYSA-N 317.772 3.423 10 10 DGCE CNCc1ccc(N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)cc1Br 2308721963 DNFPLIWITMJLNK-NHULGOKLSA-N 307.235 3.013 10 10 DGCE COCC(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 40870149 XHMLXYFXDBNOPK-HXUWFJFHSA-N 321.376 3.397 10 10 DGCE CCc1ccc(COC(=O)CCOc2ccc(N)cc2)s1 41100798 WDSUTJUDBRYYMT-UHFFFAOYSA-N 305.399 3.405 10 10 DGCE Cc1cc(C(=O)Nc2cccn(C)c2=O)c(C)n1-c1ccccc1 74073125 HPLIKXTYFXVJJU-UHFFFAOYSA-N 321.380 3.045 10 10 DGCE COc1cc2c(cc1OC)N(CCCCN)C[C@](C)(C(C)C)N2 75280761 ORTKJDIOFRTGJE-GOSISDBHSA-N 321.465 3.089 10 10 DGCE CCCN[C@H]1CCN(c2ccc(OC)c(Br)c2)C1 88320442 GPZGXOSLBCDZGL-NSHDSACASA-N 313.239 3.036 10 10 DGCE COc1cc(N(C)C/C(Cl)=C/Cl)cc(OC)c1OC 128715783 DRYDJSOTJBEKGA-CLFYSBASSA-N 306.189 3.468 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(O)cc1C 129967643 DVCOWDKVCOLPHJ-UHFFFAOYSA-N 312.413 3.429 10 10 DGCE Cc1cncc(/C=C/C(=O)N2C[C@H](C)Oc3cc(F)ccc32)c1 131143557 NKQIQHSHUUVRQS-YIALFULDSA-N 312.344 3.356 10 10 DGCE Oc1cccc([C@@H]2CN(Cc3cccc(Cl)c3O)CCO2)c1 180285126 DBQPWYFUMYHVBI-INIZCTEOSA-N 319.788 3.325 10 10 DGCE CC[C@H](CNC(=O)OC(C)(C)C)NCc1ccc(N(C)C)cc1 227726446 LWDSAUHWJZPOMK-OAHLLOKOSA-N 321.465 3.146 10 10 DGCE CCN[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C[C@H]1C 250585880 BEMQHNCIYJICRL-BXUZGUMPSA-N 302.340 3.410 10 10 DGCE CC(=O)CC1(C(=O)NCc2ccc(N3CCCC3)cc2)CCC1 279199118 MLPJJINAIQGNOH-UHFFFAOYSA-N 314.429 3.052 10 10 DGCE Nc1ccc(CN2C[C@@H]3CN(Cc4ccccc4)CC[C@H]3C2)cc1 380110491 ZIZUFFBOSZFCRK-PMACEKPBSA-N 321.468 3.223 10 10 DGCE C[C@@H]1CN(c2cc(Br)c(CN)cc2F)C[C@@H]1C 383661360 LQOSBMHWBMYTDU-DTORHVGOSA-N 301.203 3.139 10 10 DGCE COc1ccc(N(C)Cc2ccncc2Br)cc1 702911656 BCPFUVNBYIHVQE-UHFFFAOYSA-N 307.191 3.489 10 10 DGCE CC(C)[C@H]1C[C@H](NCc2c(O)cccc2Br)CO1 706824838 KHDTZZXSTMXSEK-IINYFYTJSA-N 314.223 3.058 10 10 DGCE Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1cc(O)cs1 768728421 FLIQYVBGCCKZID-VIFPVBQESA-N 307.419 3.205 10 10 DGCE COc1c(C)cc(C)cc1S(=O)(=O)Nc1ccc(O)cc1C 800837393 WFDKJTPQXDRHBZ-UHFFFAOYSA-N 321.398 3.127 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc(F)c1F 808095478 GSKMLJSRHTXOMA-UHFFFAOYSA-N 312.312 3.086 10 10 DGCE COc1cc(Cl)cc(CNc2cn(C)nc2C2CC2)c1O 812777404 KDUTYKIHTVABIO-UHFFFAOYSA-N 307.781 3.277 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCCCF 813224442 NTCAPHYROOZNED-UHFFFAOYSA-N 309.429 3.422 10 10 DGCE CCNCc1cc(F)c(N(C)[C@H]2CCCSC2)c(F)c1 821896087 RTCNEWWGZOTOLR-LBPRGKRZSA-N 300.418 3.406 10 10 DGCE CC[C@H](CC(F)F)C(=O)NCc1ccc2c(c1)CCCN2C 837377931 NYHXPEAEPHMFJJ-CYBMUJFWSA-N 310.388 3.367 10 10 DGCE Oc1c(F)cc(Cl)cc1CN1CCC[C@H]([C@H]2CCCN2)C1 843044488 DGPASMZFXSLUAS-XHDPSFHLSA-N 312.816 3.149 10 10 DGCE C[C@@H]1CC[C@H](NCc2ccc(N3CCOCC3)c(F)c2)CS1 848520722 JZFNYUCOIDWCKW-HIFRSBDPSA-N 324.465 3.036 10 10 DGCE COc1cccc([C@H](C)NCCc2noc3ccccc23)c1O 850483756 TVLVZWVVBXIXDN-LBPRGKRZSA-N 312.369 3.435 10 10 DGCE CC[C@@H](NCc1nccc(OC)c1F)c1ccc(C)cc1O 850537766 UFGVLYPRVYAKII-CYBMUJFWSA-N 304.365 3.484 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)CC(C)C)C2)cc1 852222627 IJFYYUMAEHOABP-CABCVRRESA-N 319.449 3.008 10 10 DGCE Cc1cc(CN[C@H](CO)C2CCC2)ccc1N1CCCCC1 852321644 YNTJUHFICPKWKJ-GOSISDBHSA-N 302.462 3.236 10 10 DGCE CC[C@H](N[C@@H]1C(=O)N(C)Cc2ccccc21)c1ccc(C)cc1O 857876935 ISINWAFVICWKEJ-HKUYNNGSSA-N 324.424 3.455 10 10 DGCE C1=CC[C@@H](CCNCc2ccc(N3CCOCC3)cc2)CC1 858271312 BXWZUOITOQNZSB-QGZVFWFLSA-N 300.446 3.359 10 10 DGCE Nc1ccc(NC(=O)N2CCC(Cc3nccs3)CC2)cc1 868162904 KNVPADYZFWPSCQ-UHFFFAOYSA-N 316.430 3.212 10 10 DGCE CCC1(N2CCCCC2)CCN(C(=O)c2cc(O)cs2)CC1 881626017 CFDCPEGDZNJAGX-UHFFFAOYSA-N 322.474 3.324 10 10 DGCE CC[C@H](N[C@@H]1CCCN2CCSC[C@@H]12)c1ccc(F)cc1O 903271662 JZSGKFFHLVYRCR-XHSDSOJGSA-N 324.465 3.152 10 10 DGCE c1cc(-c2noc(CCCSc3nccs3)n2)ccn1 919677031 VOMWEAJKIOTCHE-UHFFFAOYSA-N 304.400 3.313 10 10 DGCE CCOCCC1(C(=O)NCc2c(O)cccc2F)CCCC1 928705320 JJPMHLRHTFILFA-UHFFFAOYSA-N 309.381 3.135 10 10 DGCE C[C@H](N)c1ccc(N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)cc1 1148929640 KLFFNXLNQNELDR-NBHGPNQESA-N 321.468 3.417 10 10 DGCE CO[C@@H]1CCC[C@H](C(=O)NCc2c(O)ccc3ccccc23)C1 1157041876 QKWMHFPMLASNRO-LSDHHAIUSA-N 313.397 3.367 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2cccc(-c3cnco3)c2)c1 1301046591 GDKPCQKYFYPTRG-UHFFFAOYSA-N 308.337 3.286 10 10 DGCE CO[C@H]1CC[C@H](NC(=O)c2sccc2-n2c(C)ccc2C)C1 1338846953 WSCARBZEQGEBFG-KBPBESRZSA-N 318.442 3.453 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCCCCO 1441909724 DERUZROUMZTYSS-UHFFFAOYSA-N 306.450 3.042 10 10 DGCE C[C@H](NC(=O)c1cccc2c1OCC2)c1ccc(N(C)C)cc1 1529478220 AKGHEQNLYTYRRD-ZDUSSCGKSA-N 310.397 3.179 10 10 DGCE CCN(CC)c1ccc(CNC(=O)c2cnc(F)cc2C)cc1 1534245848 KJIDCASMMORRFP-UHFFFAOYSA-N 315.392 3.305 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N(C)c2ccnn2C)cc1 1540304744 NJMNNLWYNABNBV-UHFFFAOYSA-N 308.385 3.104 10 10 DGCE COCCC1(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)CC1 1628950778 KVYPTQHJVXMKTF-UHFFFAOYSA-N 316.445 3.062 10 10 DGCE C[C@@H](NC(=O)c1c[nH]nc1-c1ccccc1)c1ccccc1O 1632247300 YIEVWEYLCOYHEO-GFCCVEGCSA-N 307.353 3.273 10 10 DGCE Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1Cc2cccc(O)c2C1 1643173641 OYBWQRMTFFEBQP-UHFFFAOYSA-N 312.325 3.073 10 10 DGCE COc1ccc(N(C)CCN(C)C[C@@H]2CC[C@H]3C[C@H]3C2)cc1 1643685494 ZSYXFJYSHRDSTP-IXDOHACOSA-N 302.462 3.499 10 10 DGCE COC(=O)c1cnc(SCc2ccc(C)c([N+](=O)[O-])c2)s1 1652853327 HIPZUDCKNZZUTP-UHFFFAOYSA-N 324.383 3.439 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](COc3ccc(N)cc3)[C@@H]2C1 1897319758 CQZGJWPYOKYIMP-HEHGZKQESA-N 318.417 3.151 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN(C(=O)c2ccc(Br)nc2)C1 1912186134 AAQPEFJRGQXKIQ-SECBINFHSA-N 324.182 3.007 10 10 DGCE Cc1cc(CN)ccc1N(Cc1ccccc1)[C@@H](CO)C(C)C 1915326918 YQBLWYISHGJVRY-FQEVSTJZSA-N 312.457 3.477 10 10 DGCE C[C@@H]1C[C@](O)([C@@H](N)c2ccccc2O)c2ccsc2S1 1920354750 JFOHWQWHOSEDJV-ZDBHGNHJSA-N 307.440 3.226 10 10 DGCE CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)NCc1ccccc1O 1927901998 TZLDLUCKKXNJNK-OCCSQVGLSA-N 308.422 3.174 10 10 DGCE CN[C@@H](c1ccccc1O)[C@H](CC1CC1)NC(=O)OC(C)(C)C 1936977570 WXDPLFHBLCODDU-HOCLYGCPSA-N 320.433 3.346 10 10 DGCE CC[C@@H]1[C@@H]([C@H](N)c2ccccc2O)CCN1C(=O)OC(C)(C)C 1936986462 IDQBXAJJHLDEOF-BJJXKVORSA-N 320.433 3.428 10 10 DGCE [N-]=[N+]=NCCc1cc([N+](=O)[O-])ccc1I 1951349947 FUYYBZJSJXRXFI-UHFFFAOYSA-N 318.074 3.052 10 10 DGCE COc1cccc(O)c1[C@H]1CC(=O)CCN1C(=O)OC(C)(C)C 1952055320 NHAUXDPFJVUEGO-GFCCVEGCSA-N 321.373 3.042 10 10 DGCE Oc1cccc(Br)c1CNCc1ncoc1C1CC1 1965988919 RQMMRBXQLXGKNI-UHFFFAOYSA-N 323.190 3.310 10 10 DGCE Oc1ccc(Br)cc1CN[C@@H]1CC[C@@H]2[C@H]1C2(F)F 1967819834 MPGXVXZBADHUTO-CKYFFXLPSA-N 318.161 3.288 10 10 DGCE C[C@H](N)c1ccc(N(C)C[C@H]2C[C@H]2F)cc1Br 2014704116 CSAAUTQFAMJFPP-IGJMFERPSA-N 301.203 3.263 10 10 DGCE CN(C[C@H]1C[C@@H]1C(F)F)c1ccc(CN)cc1Br 2041756997 VQARRQLEKYQLST-ZJUUUORDSA-N 319.193 3.245 10 10 DGCE CCNC(=O)c1cc(C(C)C)nn1[C@H](C)c1ccc(F)cc1O 2070164522 DYTCBMPGAHCVSB-LLVKDONJSA-N 319.380 3.210 10 10 DGCE Nc1cccc(Br)c1N[C@H]1CCNC2(CCC2)C1 2071648214 LJWUXDGTVZVQTL-JTQLQIEISA-N 310.239 3.118 10 10 DGCE CCc1nn(Cc2cccc(F)c2O)c(C(F)(F)F)c1C=O 2078863045 SUHKVEQGTANRPD-UHFFFAOYSA-N 316.254 3.170 10 10 DGCE CNCc1ccc(N(C)C[C@]2(F)C[C@H]2C)cc1Br 2085438980 DHRHZAWKVWGVJZ-QMTHXVAHSA-N 315.230 3.353 10 10 DGCE Cc1ccc([C@H](O)[C@H](N)c2ccccc2O)cc1Br 2091867591 NFXWADRIAWVZKP-CABCVRRESA-N 322.202 3.197 10 10 DGCE COCCNCc1ccc(OCC=C(Cl)Cl)c(C)c1 2098795070 XTVNUAFNVRJLMW-UHFFFAOYSA-N 304.217 3.429 10 10 DGCE CC1CCC(S(=O)(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)CC1 2155557721 XFXSXAHLRDXWQN-OTTFEQOBSA-N 300.428 3.060 10 10 DGCE CCNCc1cc(F)c(N2CC(SC(F)F)C2)c(F)c1 2196711827 QSNZBQCXWJBZFE-UHFFFAOYSA-N 308.344 3.219 10 10 DGCE C[C@@H](N)c1ccc(N(C)C[C@]2(C)CSCCO2)cc1Cl 2201257537 PIOAYAIGDRMEID-IAQYHMDHSA-N 314.882 3.318 10 10 DGCE C[C@H](F)CN1CCN([C@@H](C)c2ccc(Cl)cc2O)CC1 2203349761 ZQEFKOCDYIYBNC-RYUDHWBXSA-N 300.805 3.082 10 10 DGCE C[C@@H](CCN(C)C)N(C)Cc1cc(Cl)cc(Cl)c1O 2273148325 XXZLNHILAVHPGE-JTQLQIEISA-N 305.249 3.471 10 10 DGCE CSc1ncc(CNC(=O)[C@@H]2CC(F)(F)C23CCC3)s1 2284539959 WWKMUWPNJYWOAW-VIFPVBQESA-N 318.414 3.307 10 10 DGCE C[C@@H]1C[C@@H](CC(=O)O)CN1Cc1cc(Cl)cc(Cl)c1O 2285691890 ZXBABQGSBJESHD-BDAKNGLRSA-N 318.200 3.384 10 10 DGCE CCCN1N=C(C(F)(F)F)C(=Cc2cc(C)ccc2O)C1=O 2332105287 PVIRCOJNPRVKML-UHFFFAOYSA-N 312.291 3.255 10 10 DGCE Cc1ccc(CN2C[C@H]3CC(=O)C[C@H]2C3)c(O)c1Br 2352941154 NEDACGIVEFKKAZ-ZYHUDNBSSA-N 324.218 3.017 10 10 DGCE Cc1c([C@@H](NCCCN=[N+]=[N-])C(N)=O)ccc(Cl)c1Cl 2366032117 OZEKIFBRKKUAEY-LLVKDONJSA-N 316.192 3.118 10 10 DGCE C[C@H](N[C@@H](CN(C)C)c1ccccc1)c1ccc(F)cc1O 170788908 VVBLAEKWJILUHQ-GUYCJALGSA-N 302.393 3.485 10 10 DGCE CS[C@H](C(=O)NCCc1ccc(N)cc1)c1ccccc1 179043391 MHYOIIITHPTREY-INIZCTEOSA-N 300.427 3.032 10 10 DGCE CC1CCN(c2ccc(CN[C@@H]3CCN(C4CC4)C3)cc2)CC1 178018641 GREITBQJUUCGRS-GOSISDBHSA-N 313.489 3.249 10 10 DGCE C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccncc1 125158255 GAPZZAGXPNCTDJ-OAHLLOKOSA-N 322.412 3.018 10 10 DGCE C[C@@H](N[C@H]1CCN(c2ncccc2Cl)C1)c1ccccc1O 183556345 QWGZGUNXKAUYGF-OLZOCXBDSA-N 317.820 3.370 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H](NCc2cc(F)ccc2O)C1 226609551 ABCPBOXANXYUST-AWEZNQCLSA-N 324.396 3.020 10 10 DGCE C[C@H](NCC(C)(C)NC(=O)OC(C)(C)C)c1cc(O)ccc1O 227710524 JUJJCEGBODYSNA-NSHDSACASA-N 324.421 3.052 10 10 DGCE CC[C@@H](NCc1cc(Br)ccc1O)c1ncc[nH]1 233897124 HJXYRWMUPOCTRZ-LLVKDONJSA-N 310.195 3.119 10 10 DGCE Oc1ccc(F)cc1CN1C[C@H](O)C[C@H]1c1cc(F)ccc1F 245945519 KLASXULQUTVEGO-CJNGLKHVSA-N 323.314 3.117 10 10 DGCE COc1ccccc1NC(=S)NCc1ncc(C)cc1C 242621917 CMYXHQBKYUGCGV-UHFFFAOYSA-N 301.415 3.194 10 10 DGCE COc1ccc(N=Nc2ccc(S(=O)(=O)O)cc2)c(F)c1 254529005 UFVOHPFTIKRPAM-UHFFFAOYSA-N 310.306 3.496 10 10 DGCE CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[C@H]2C)cc1F 805094030 GKAAJAYKXUDWDG-IUODEOHRSA-N 307.413 3.270 10 10 DGCE CCOCc1nc([C@@H](C)N[C@H](CC)c2ccc(F)cc2O)no1 290034573 DCQVDKYKMDZPJG-ZWNOBZJWSA-N 323.368 3.253 10 10 DGCE Oc1c(Cl)cc(Cl)cc1[C@H](C1CCC1)N1CCNCC1 575260766 NETKYFWVBPBTLK-AWEZNQCLSA-N 315.244 3.445 10 10 DGCE CC[C@H](O)CC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 822814355 QBRKYCGIEOWRNV-SFHVURJKSA-N 318.461 3.233 10 10 DGCE CN(C)c1ccc(/C=C/CNC[C@@H](C(=O)O)c2ccccc2)cc1 904057749 AMMFBTBASQSKMA-OVKVCFKUSA-N 324.424 3.224 10 10 DGCE CCCn1cc([C@H](C)NCc2ccc(N(CC)CC)cc2)nn1 902755835 UJENPJYJLUZTAY-HNNXBMFYSA-N 315.465 3.385 10 10 DGCE CO[C@@H](COc1ccc2c(c1)c(C)c(C)n2C)[C@@H]1CCOC1 664097933 HWOURQVOZDOYEZ-KDOFPFPSSA-N 303.402 3.225 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)C2=COCCC2)cc1 730743106 FFERGRZOFJKBBJ-UHFFFAOYSA-N 302.418 3.186 10 10 DGCE CC[C@H](N[C@@H]1C[C@H](C)c2c(F)ccc(O)c21)[C@H](O)C(F)F 834875504 QBVGVDJPIPGKHC-VHNNBMRFSA-N 303.324 3.074 10 10 DGCE CC(=O)C(C)(C)CCC(=O)NCc1ccc(N(C)C)cc1C 746183782 XWQVYVLNPPHCOZ-UHFFFAOYSA-N 304.434 3.073 10 10 DGCE C/C(=C/c1ccncc1)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 846976819 HKNOGDFOQGVCEZ-PLFFATQSSA-N 309.413 3.428 10 10 DGCE C[C@H](N[C@H](c1ccccc1)[C@@H](C)O)c1cc([N+](=O)[O-])ccc1O 850585553 ZICAIELZHGXLHW-JKDFXYPNSA-N 316.357 3.073 10 10 DGCE CC(C)(C)[C@@H](CCO)Nc1c(N)cccc1Br 697472317 RPCDMFBNCYBHFK-LLVKDONJSA-N 301.228 3.240 10 10 DGCE C[C@H](NCc1nn(C)cc1C(F)F)c1cc(F)cc(F)c1O 866566041 WRLJRWYBRXKJIF-ZETCQYMHSA-N 317.286 3.192 10 10 DGCE CCCN(Cc1cc(OC)c(C)cc1O)C[C@@H]1CCCCO1 768452711 RKPHMEBXBQTBTA-INIZCTEOSA-N 307.434 3.490 10 10 DGCE Cc1ccc(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C)c(O)c1O 775939342 DIROUZBWKSXPIU-ONGXEEELSA-N 317.307 3.209 10 10 DGCE CC1(C)CO[C@@H](CC(=O)NCc2ccc(N3CCCC3)cc2)C1 895711375 QCPPRKFSZRMBRV-KRWDZBQOSA-N 316.445 3.108 10 10 DGCE C[C@H](NC(=O)C[C@H]1CCC2(CCC2)O1)c1ccc(N(C)C)cc1 890030507 FPVREPFJURGDAH-WMLDXEAASA-N 316.445 3.422 10 10 DGCE CN(C)c1ccc(CNC(=O)[C@@H]2CC[C@H](C(F)(F)F)C2)cc1 794618505 IXTNSIJSWJEKMN-OLZOCXBDSA-N 314.351 3.347 10 10 DGCE O=C(C[C@H]1CCC2(CCC2)O1)NCc1cc(Cl)ccc1O 898276677 DJCNKGDMFHDRBO-CYBMUJFWSA-N 309.793 3.154 10 10 DGCE C[C@]12CO[C@](CNCc3cc(Cl)cc(Cl)c3O)(C1)C2 1879828134 UEZPOSYPEZJCRR-OKILXGFUSA-N 302.201 3.358 10 10 DGCE C[C@H](CCCNCc1ccccc1O)NC(=O)OC(C)(C)C 1958770377 FQBNRLYFTIKZNZ-CYBMUJFWSA-N 308.422 3.175 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N1CCC(C2CCCC2)CC1 1148541283 MAOQWKNNOLFHCN-UHFFFAOYSA-N 303.402 3.069 10 10 DGCE CC[C@H]1[C@@H](Nc2ccc(N)cc2)CCN1C(=O)OC(C)(C)C 1959365651 HSUNKRQKOMZQFB-GJZGRUSLSA-N 305.422 3.469 10 10 DGCE Cc1cc(F)cc(C(=O)N[C@H](C)c2ccccc2O)c1[N+](=O)[O-] 1302530106 ABVDGGOOTDOTBE-SNVBAGLBSA-N 318.304 3.239 10 10 DGCE C[C@@H]1C[C@@H](NCc2cc(F)ccc2O)CN1Cc1ccccc1 398031110 NLYUMYJYOPMWFR-RDTXWAMCSA-N 314.404 3.284 10 10 DGCE CCOC(=O)C1=CC[C@H](NCc2ccc(N3CCCC3)cc2)C1 1329078612 NZHQUPSIGSOZLX-KRWDZBQOSA-N 314.429 3.028 10 10 DGCE CCSC[C@H](C)NCc1c(O)cccc1Br 706872073 FRYXRYCZFXPINB-VIFPVBQESA-N 304.253 3.386 10 10 DGCE Cc1cc(Cl)cc(CN2CCO[C@@](C)(C(F)F)C2)c1O 1327963674 LSFXGHRKELFMAT-CQSZACIVSA-N 305.752 3.210 10 10 DGCE CCOc1ccc(N2CCN(C[C@@H]3CCO[C@@H](C)C3)CC2)cc1 1324795085 GJMKPDDKCJNHOE-DLBZAZTESA-N 318.461 3.022 10 10 DGCE Nc1ccc(CCC(=O)c2sncc2Br)cc1 712241696 XONBJKPTRWWWCH-UHFFFAOYSA-N 311.204 3.303 10 10 DGCE C[C@H]1CN(Cc2c(O)cccc2Cl)C[C@](C)(C(F)F)O1 698928420 JSAQKNFERPBGRE-LKFCYVNXSA-N 305.752 3.290 10 10 DGCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@@H]2C[C@H]2C)c1 1540817790 FOQAFBKGAQUIQA-WBMJQRKESA-N 310.397 3.292 10 10 DGCE C[C@@H](NC(=O)N[C@H](C)c1ccccc1O)c1cccc(O)c1 1564551089 GRTLNBDOIVUHOP-VXGBXAGGSA-N 300.358 3.219 10 10 DGCE O=C(NCc1ccc(O)c(O)c1)c1ccsc1C(F)(F)F 1635959795 OJSDJDJDSDAUPX-UHFFFAOYSA-N 317.288 3.108 10 10 DGCE CCN(Cc1csnc1OC)c1ccc(OC)c(OC)c1 1652870581 LJTMWUPAAANYGC-UHFFFAOYSA-N 308.403 3.195 10 10 DGCE O=C(c1cccc(O)c1O)N(C1CC1)[C@H]1CCc2ccccc21 1597795018 AGQFFGHCIBFHMX-INIZCTEOSA-N 309.365 3.390 10 10 DGCE Cc1ccc(CN(C)Cc2ccc(N3CCOCC3)cc2)o1 160855940 QAGNDZOVTKEBET-UHFFFAOYSA-N 300.402 3.057 10 10 DGCE Cc1cc(Br)c(F)c(C(=O)N2CC(N=[N+]=[N-])C2)c1 1912149418 GCRODDKPKAIUKY-UHFFFAOYSA-N 313.130 3.031 10 10 DGCE CCCN[C@H](c1ccccc1O)[C@@H]1CCN1C(=O)OC(C)(C)C 1912940464 MXPNAVADDIRSLE-GOEBONIOSA-N 320.433 3.442 10 10 DGCE CNCc1ccc(N(Cc2ccccc2)C2COC2)c(Cl)c1 1915648372 YNPCLWVRYFVUJN-UHFFFAOYSA-N 316.832 3.465 10 10 DGCE CC(C)(C)OC(=O)NCC1CCN(Cc2ccc(N)cc2)CC1 225772342 ZTEMDLGMWKAHIK-UHFFFAOYSA-N 319.449 3.006 10 10 DGCE C[C@H]1CC[C@@H]1CNCc1cc(Br)cc(F)c1O 2215006907 CYQNAMVCSHYDGG-DTWKUNHWSA-N 302.187 3.430 10 10 DGCE C[C@@H](CNCc1ccc2c(c1)CCO2)N(C)Cc1ccccc1 237413827 SUPHIZHWNNLXMY-INIZCTEOSA-N 310.441 3.232 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H]2CN(CCCCN=[N+]=[N-])C[C@@H]2C1 1982242780 RERDGVKIUNWGOH-UONOGXRCSA-N 323.441 3.266 10 10 DGCE CC(C)(O)CN(Cc1ccccc1)c1ccc2c(c1)CC[C@H]2N 1986608269 CGEVPHGFWDQZGD-LJQANCHMSA-N 310.441 3.410 10 10 DGCE CCc1cccc(CN[C@H]2CC[C@H]2NC(=O)OC(C)(C)C)c1O 1986708003 ZBPXQAXPONOEEM-LSDHHAIUSA-N 320.433 3.100 10 10 DGCE C[C@H](NC[C@H]1C=CCN1C(=O)OC(C)(C)C)c1ccccc1O 1992540112 LGLVQTHIHXQKOQ-UONOGXRCSA-N 318.417 3.218 10 10 DGCE CNCc1cc(F)c(N(C)C[C@@H]2CC[C@@H](C)S2)c(F)c1 2151682303 HYMUCCCUTAYJOJ-PWSUYJOCSA-N 300.418 3.405 10 10 DGCE Oc1cc(Br)ccc1CNOCC1(F)CCC1 2008505548 VPFFUKMELABNTC-UHFFFAOYSA-N 304.159 3.068 10 10 DGCE C[C@@H]1CCOC[C@H]1N(C)Cc1c(O)cccc1Br 2035132036 PKDDSNRUPAAIQU-ZWNOBZJWSA-N 314.223 3.012 10 10 DGCE Oc1cccc(Br)c1CN[C@H]1C[C@H]2C[C@H]1C[C@@H]2F 2039900162 QBDXKVMMTVVVGX-PSJXJDHFSA-N 314.198 3.381 10 10 DGCE C[C@@H](N)c1ccc(N(C)C2(CO)CCSCC2)c(Cl)c1 2171172767 LDRYGKFOJRCGGC-LLVKDONJSA-N 314.882 3.054 10 10 DGCE CC[C@H]1[C@@H](C(=O)O)CCN1Cc1cc(Cl)cc(Cl)c1O 690655486 MHTMXJNQTPMUHZ-JQWIXIFHSA-N 318.200 3.384 10 10 DGCE COC(=O)c1cc(C(C)C)nn1[C@@H](C)c1c(O)cccc1OC 2069954881 VQRWCITWQOMZFH-NSHDSACASA-N 318.373 3.117 10 10 DGCE C[C@@H](N)c1ccc(N(C)Cc2ccon2)c(Br)c1 2042309628 CUVATIWISFVDRY-SECBINFHSA-N 310.195 3.093 10 10 DGCE CN1CCc2cc([C@@H](O)c3ccoc3Br)ccc21 2044714730 QGFWGLVOVASTES-CYBMUJFWSA-N 308.175 3.116 10 10 DGCE CC[C@@](C)(CN(C)c1ccc(CO)c(Br)c1)OC 2066262928 LXSAYVXVCAEKMK-AWEZNQCLSA-N 316.239 3.193 10 10 DGCE C[C@H](c1ccccc1O)N(C)c1cnncc1Br 2072466033 AEWVFSXXRWXUHZ-SECBINFHSA-N 308.179 3.142 10 10 DGCE Cc1c(Br)c(Cn2ccc3cc(N)ccc32)nn1C 2093833453 FIVOBLWTMBTIGM-UHFFFAOYSA-N 319.206 3.076 10 10 DGCE Nc1ccc(COC[C@@H](O)c2ccccc2Br)cc1 2113438486 DTQQYOCJEZGBTD-OAHLLOKOSA-N 322.202 3.282 10 10 DGCE COc1ccc(Br)c(CNC[C@@H](C)C2CC2)c1O 2220462467 LWBVZVFHXMSKLL-SECBINFHSA-N 314.223 3.299 10 10 DGCE CC(C)(C)OC(=O)NC[C@@]1(C)CCC[C@@]1(N)c1ccccc1O 2244466438 JYNOMHPSYRLDCO-QZTJIDSGSA-N 320.433 3.261 10 10 DGCE COc1ccc(Br)c(OCCN=[N+]=[N-])c1OC 2303956818 XTBBXDCGVYAOAV-UHFFFAOYSA-N 302.128 3.155 10 10 DGCE Cc1cnc(N(C)c2ccc(Br)cc2)cc1CCN 2352333892 HFSAYPIUNGATRU-UHFFFAOYSA-N 320.234 3.422 10 10 DGCE Cc1ccc(CNC(=O)[C@H]2C[C@H]2C2CC2)c(O)c1Br 2352942572 HDPJHMDIRYGYSK-RYUDHWBXSA-N 324.218 3.125 10 10 DGCE Cc1cccc(NC[C@@H]2CCN(Cc3ccc(N(C)C)cc3)C2)n1 92813007 KBWYBVGQGSWFGY-SFHVURJKSA-N 324.472 3.390 10 10 DGCE C[C@@H](N[C@H](CC(=O)O)c1cccs1)c1cc(F)ccc1O 94617430 WCCAJJUGQJQNOB-BXKDBHETSA-N 309.362 3.459 10 10 DGCE COc1ccc(O)c(CNC(=O)N[C@@H](C)c2cc(C)oc2C)c1 114592529 QGLKZVRTZGBIOA-NSHDSACASA-N 318.373 3.171 10 10 DGCE OC[C@H](Cc1ccccc1)NCc1c(O)ccc2ccccc12 131478768 GSSNVPZZPNCLDM-KRWDZBQOSA-N 307.393 3.239 10 10 DGCE CC(C)CNCc1ccc(N2CCC[C@](C)(O)C2)c(Cl)c1 163370167 LYMFIKSMHDUZPZ-KRWDZBQOSA-N 310.869 3.437 10 10 DGCE CC[C@@H](N[C@H](C)CN(C)C)c1cc(Br)ccc1O 168599191 XVRCAPRAPQONBH-ZWNOBZJWSA-N 315.255 3.146 10 10 DGCE Cc1nn(C)c(C)c1[C@H]1CCCN1Cc1cc(F)ccc1O 180119904 PZIIIZJLGKPFHN-OAHLLOKOSA-N 303.381 3.219 10 10 DGCE C[C@@H](N[C@@H]1CCCC[C@@H]1O)c1ccc(Br)cc1O 185445247 GWUJUYTWSHUPNN-WQAKAFBOSA-N 314.223 3.109 10 10 DGCE CC(C)c1nc2n(n1)CCC[C@H]2N[C@H](C)c1cc(F)ccc1O 185685097 XGOYGJCEVKYLHE-BXUZGUMPSA-N 318.396 3.432 10 10 DGCE CNCc1ccc(N2C[C@@H](C)OC[C@@H]2C)cc1C(F)(F)F 227118522 QIKMMGSSCHQOPQ-WDEREUQCSA-N 302.340 3.038 10 10 DGCE Cc1cccnc1CNC(=S)Nc1ccc(N)cc1Cl 243120741 JHKVFYHAKVXPAF-UHFFFAOYSA-N 306.822 3.112 10 10 DGCE CC(=O)N(C(=O)Oc1ccccc1Cl)c1ccc(N)cc1 243629486 OYZMEOQYQGQJPP-UHFFFAOYSA-N 304.733 3.474 10 10 DGCE CC(=O)c1cc(Cl)cc(CN(C(C)C)[C@H]2CCOC2)c1O 291148209 ADNULUHCWHTVNM-AWEZNQCLSA-N 311.809 3.248 10 10 DGCE CCOc1ccc(O)c(CNC[C@@H]2CCN2C2CCCCC2)c1 527752994 RCVNMDWNPOLJOW-KRWDZBQOSA-N 318.461 3.288 10 10 DGCE CCO[C@@]1(C)C[C@H]1N[C@@H](C)c1ccc(Br)cc1O 527980728 RMGVXRHQPHQDPT-FZZIBODNSA-N 314.223 3.373 10 10 DGCE Oc1c([C@H](C2CC2)N2CCNCC2)ccc(Cl)c1Cl 575274440 KXKCQFKFXNJNRQ-ZDUSSCGKSA-N 301.217 3.055 10 10 DGCE CN1C(=O)/C(=C\c2ccc(OCC3CC3)cc2)SC1=S 588578071 IMFZXLFLAOJLAQ-MDWZMJQESA-N 305.424 3.306 10 10 DGCE C[C@@H]1O[C@H](C)C[C@@H]1N(C)Cc1ccc(Br)cc1O 691677223 MURXDJRQBKAXAV-NRUUGDAUSA-N 314.223 3.152 10 10 DGCE CCC[C@H]1COC[C@H]1NCc1c(O)cccc1Br 706881114 NVXPVOKAJJHNSF-GXFFZTMASA-N 314.223 3.059 10 10 DGCE COc1cc(F)c(F)cc1NC(=O)/C=C/c1ccc(O)c(O)c1 753082784 FHOXVILFQXRGLS-HWKANZROSA-N 321.279 3.037 10 10 DGCE CC[C@]1(C)CCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C1 758485925 KSINVOHEDYTAIY-BQLWYNFJSA-N 318.373 3.407 10 10 DGCE COc1cc(Cl)cc(CNC[C@@H](C)c2ccncc2)c1O 761206542 JUVDFKNMDIRMBH-LLVKDONJSA-N 306.793 3.343 10 10 DGCE Cc1cc(Br)c(O)c(CNc2cc(C)c(C)nn2)c1 762652134 PHCTWJPJRZLQPC-UHFFFAOYSA-N 322.206 3.482 10 10 DGCE CC(C)c1n[nH]cc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 770743254 HXOHSFLPZUUJRV-LBPRGKRZSA-N 300.406 3.090 10 10 DGCE Cc1cc(Br)c(O)c(CN2C[C@@H](C)OC[C@H]2C)c1 781896036 GMJHFZOKHPYCSJ-GHMZBOCLSA-N 314.223 3.072 10 10 DGCE CO[C@@H]1CCC[C@@H](NCc2ccc(N3CCSCC3)cc2)C1 792920761 BEIPPEOGCYKGRM-SJLPKXTDSA-N 320.502 3.287 10 10 DGCE C[C@H](O)C(C)(C)NCc1ccc2c(c1)CCN2Cc1ccccc1 796342261 WLBRBCXGJCULBB-INIZCTEOSA-N 324.468 3.498 10 10 DGCE CC(C)[C@@H]1C[C@H]1C(=O)NCc1cc(Br)ccc1O 804738640 YFDKQPUXFYTRNL-NWDGAFQWSA-N 312.207 3.063 10 10 DGCE Cc1ccc([C@H](O)CNC/C=C\c2ccc(N(C)C)cc2)cc1 835034668 CKZWVTRRPUIWFA-BBIZLLLXSA-N 310.441 3.397 10 10 DGCE CN(C)c1ccc(/C=C\CN(C)[C@@H](CO)c2ccccc2)cc1 835053456 COWRAVANZPVKHC-AQWUKCDYSA-N 310.441 3.431 10 10 DGCE CC1CCN(c2ccc(CNC(=O)N3C[C@H](C)[C@H]3C)cc2)CC1 838375186 DBEQUIONOBDHIP-JKSUJKDBSA-N 315.461 3.473 10 10 DGCE CCOc1ccc(O)c(CN2CC3(CCOCC3)[C@H]2C(C)C)c1 840968642 BQSHARDXCXWCJP-GOSISDBHSA-N 319.445 3.428 10 10 DGCE CCC[C@@H](C)[C@H](CO)NCc1cccc(Br)c1O 846017136 LJVPFQDTPUQZSJ-MFKMUULPSA-N 316.239 3.041 10 10 DGCE Cc1ccc(O)c(CN[C@@H](C[C@@H]2CCCO2)C(F)(F)F)c1 848571188 DSOCVWXEUHSUOG-JSGCOSHPSA-N 303.324 3.290 10 10 DGCE Cc1cc(CN2CC[C@H]3COC[C@@H]3C2)c(O)c(C(C)(C)C)c1 853585948 LRHYDHAUIPULFS-HOCLYGCPSA-N 303.446 3.466 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(C(F)F)o2)c1 860242697 TVZUTMCDWQWCIZ-MRVPVSSYSA-N 311.284 3.422 10 10 DGCE Cc1ccc(O)c(CNCc2csc(C(F)(F)F)n2)c1 895579634 BSGMZERVLZGAMB-UHFFFAOYSA-N 302.321 3.466 10 10 DGCE CCOc1ccc(O)c(CN2CCC3(CCCCO3)CC2)c1 895659464 XUZVGXXDCAOHGI-UHFFFAOYSA-N 305.418 3.326 10 10 DGCE CCOc1ccc(N(Cc2cn(CC)nn2)CC2CC2)cc1 899889116 YQOXRHZQFUWOES-UHFFFAOYSA-N 300.406 3.113 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CC(C)(C)CO1 1136428596 FGMNNIAFYZNSBN-QGZVFWFLSA-N 318.461 3.306 10 10 DGCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC2CC(C)C2)c1 1137213651 MTXFBUVXPOWHMS-UHFFFAOYSA-N 310.397 3.435 10 10 DGCE Cc1ncc(/C=C/C(=O)NCc2cccc(Cl)c2O)s1 1159041433 MSZJDHJEBXSOOW-AATRIKPKSA-N 308.790 3.140 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)c2cc3c(C)cccn3c2)c1 1445964173 CDMSYHTUINESOU-ZDUSSCGKSA-N 324.380 3.453 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)NC[C@H]1C[C@H]2C=C[C@H]1CC2 1470570958 OPFDVZWIRZQQFU-RWMBFGLXSA-N 320.820 3.447 10 10 DGCE Cn1c(=O)c([N+](=O)[O-])c(Sc2nccs2)c2ccccc21 1472666642 RDHBOQUDBCYFBZ-UHFFFAOYSA-N 319.367 3.054 10 10 DGCE COc1cc(F)cc(CNC(=O)N[C@@H](C)c2ccccc2O)c1 1478239552 AQDGAZDBDPVRAT-NSHDSACASA-N 318.348 3.100 10 10 DGCE C[C@@H](NC(=O)NCc1c(O)cccc1F)c1cccc(F)c1F 1478254589 OIVYUBNGJKJPMR-SECBINFHSA-N 324.302 3.370 10 10 DGCE C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)Nc1c(Cl)ccc2nonc12 1520359752 VLBSYFKBGZWKLV-ZYUZMQFOSA-N 305.765 3.497 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)COc1ccsn1 1617880458 YIHRSBAGKULVRI-UHFFFAOYSA-N 320.414 3.056 10 10 DGCE O=C(NCc1c(O)cccc1O)c1cccc(-c2ccoc2)c1 1635847666 RDXVETPKGNFDPK-UHFFFAOYSA-N 309.321 3.288 10 10 DGCE O=C(NCc1c(O)cccc1F)c1nc(Cl)ccc1Cl 1645048222 MEFSXKKEUUGVQF-UHFFFAOYSA-N 315.131 3.163 10 10 DGCE CCOC(=O)CCN(Cc1ccc(N(C)CC)cc1)C(C)C 1654057360 WSWJIRGRDHXZFK-UHFFFAOYSA-N 306.450 3.306 10 10 DGCE C[C@@H]1[C@@H]2CNC[C@@H]2CN1c1ccc(OCc2ccccc2)cc1 1899860942 PWXGSYDSQNHMIK-MDYRTPRTSA-N 308.425 3.310 10 10 DGCE CC[C@H]1CCN(Cc2cccc(Br)c2O)CCO1 1913666465 WMSAYMWMCHPZHW-LBPRGKRZSA-N 314.223 3.156 10 10 DGCE Cc1cc(N(Cc2ccccc2)C2COC2)ccc1C=CC(=O)O 1915725132 GDBYCYOVLBNRNG-UHFFFAOYSA-N 323.392 3.498 10 10 DGCE C[C@@H]1C[C@@H]([C@@H](N)c2ccccc2O)CCN1C(=O)OC(C)(C)C 1936968983 WMETYRUZNLGRJC-DVOMOZLQSA-N 320.433 3.428 10 10 DGCE CN1C(=O)[C@H](O)c2ccc(N(Cc3ccccc3)CC3CC3)cc21 1946862381 RNWXZFHDUNCAII-LJQANCHMSA-N 322.408 3.113 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CN(c2ccc(N)cc2)CC12CCC2 1977977423 BPULCKBGLRZLJW-OAHLLOKOSA-N 317.433 3.152 10 10 DGCE O[C@]1(c2ccc(N3CCCC3)cc2)CCN(Cc2ccccc2)C1 1999521054 HPESYQWUXWAWKS-OAQYLSRUSA-N 322.452 3.380 10 10 DGCE C[C@H]1[C@@H](C)[C@@H]1CN(C)c1cc(Br)c(CN)cc1F 2043300418 IJBMCJWILFMZHU-JZYVYDRUSA-N 315.230 3.385 10 10 DGCE CO[C@H](CN(C)Cc1cc(Br)ccc1O)C(C)C 2068249253 LUAOUOWRXJEDSW-CQSZACIVSA-N 316.239 3.258 10 10 DGCE Cc1nn(Cc2c(O)cccc2Br)c(N)c1C1CC1 2079598576 CLUJOCSEHBZSGY-UHFFFAOYSA-N 322.206 3.168 10 10 DGCE CN(C)c1ccc(CNc2ncc(N)cc2Br)cc1 2104184863 ZAEFZHBESYDQFU-UHFFFAOYSA-N 321.222 3.104 10 10 DGCE Cc1ccc(Br)c([C@H](N)c2ccc(N(C)C)cc2)n1 2112730698 OXNRSMYVWBWCGI-CQSZACIVSA-N 320.234 3.267 10 10 DGCE CN=c1[nH]c(N(C)Cc2ccc(N)cc2)c(Cl)cc1Cl 2173803774 GQQNYKMFWPYVGN-UHFFFAOYSA-N 311.216 3.071 10 10 DGCE CC[C@@H]1C[C@@H](Sc2nccs2)C[C@](CO)(NC2CC2)C1 2175441782 KNCVPHBZHWMYIV-UXIGCNINSA-N 312.504 3.297 10 10 DGCE C[C@H](N)c1cc(F)c(N(C)C[C@H](F)C(F)(F)F)c(F)c1 2194688656 JAMQHIDTLBZTFA-WKEGUHRASA-N 300.246 3.321 10 10 DGCE Cc1cc(C=CC(=O)N2CCC[C@H](N)C2)c(C)n1-c1ccccc1 2301556975 NMXFAMSMKNXHMB-SFHVURJKSA-N 323.440 3.057 10 10 DGCE Cc1ccc(CN(C)[C@@]2(C)CCOC2)c(O)c1Br 2327564960 QNGQAEGDOKMSPY-AWEZNQCLSA-N 314.223 3.074 10 10 DGCE Cc1ccc(CN(C)[C@H](C)C[C@H](C)O)c(O)c1Br 2327791015 YFFMLVQCAVFHTF-MNOVXSKESA-N 316.239 3.054 10 10 DGCE CCCC1=NN(CC)C(=O)C1=Cc1ccc(O)c(OCC)c1 2332094826 LQJJXUDYYKGUSE-UHFFFAOYSA-N 302.374 3.193 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CC[C@@H]2CCCN[C@H]2C1 2361350547 RFLLBLGERDHKJN-HZMBPMFUSA-N 315.244 3.273 10 10 DGCE CN(CC[C@@H](O)c1cccs1)c1ccc(CN)c(Cl)c1 2366232454 HLQZVPKQULXMCL-CQSZACIVSA-N 310.850 3.420 10 10 DGCE O=C1N=C(Nc2ccccc2)S/C1=C\c1cccc2c1OCO2 44023977 RVBCHROASAKIJQ-ZROIWOOFSA-N 324.361 3.498 10 10 DGCE O=C(c1ccccc1SC[C@@H]1CCCO1)N1CCSCC1 49213935 OOYULOLGLDXWEO-ZDUSSCGKSA-N 323.483 3.147 10 10 DGCE Cc1[nH]cnc1CSCCNC(=S)Nc1ccc(F)cc1 59346633 CBRRHOKMGURLDB-UHFFFAOYSA-N 324.450 3.077 10 10 DGCE CCN(Cc1cc(Cl)cc(Cl)c1O)C(C)(C)C(=O)O 86759783 CRYQIGXJTFRIBN-UHFFFAOYSA-N 306.189 3.384 10 10 DGCE c1ccc2c(c1)CCCN(Cc1ccc(N3CCOCC3)cc1)C2 93085115 UTHNGWOSCKMIJY-UHFFFAOYSA-N 322.452 3.472 10 10 DGCE C[C@H]1CC[C@@H](C)CN1Cc1ccc(N2CCOCC2)c(F)c1 93498626 WNSYWYIUBFDXSP-CABCVRRESA-N 306.425 3.283 10 10 DGCE Cc1cc(C(=O)N2CCC[C@@](C)(O)C2)c(C)n1-c1ccccc1 133651947 TUCSJYCVNWZJBB-LJQANCHMSA-N 312.413 3.081 10 10 DGCE CC(=O)N(C(=O)Nc1cc(C(C)(C)C)on1)c1ccc(N)cc1 170588891 WZUPOCZSTFAIBA-UHFFFAOYSA-N 316.361 3.139 10 10 DGCE COc1cc(O)c(CN2CCC(OCC(C)C)CC2)cc1OC 179439716 IBQAAQMINLDOIW-UHFFFAOYSA-N 323.433 3.046 10 10 DGCE CCCOc1ccc(CNc2ccn([C@@H](C)COC)n2)c(O)c1 189879856 ZFGUGKFPOQLVAT-ZDUSSCGKSA-N 319.405 3.197 10 10 DGCE CCc1nc(Br)cc(NCc2ccccc2O)n1 229337445 MSYACXZBXMMTFA-UHFFFAOYSA-N 308.179 3.119 10 10 DGCE CN(C)c1ccc(CN(C(=O)Cc2cccc(O)c2)C2CC2)cc1 263721146 WTPCMTJDTYQNAI-UHFFFAOYSA-N 324.424 3.192 10 10 DGCE CCN(CC)c1ccc(CN[C@@H]2CCc3cccc(O)c32)cn1 296192780 YPARSZRIJAKADW-MRXNPFEDSA-N 311.429 3.411 10 10 DGCE CC(C)(C)OC(=O)N1CCCCCC[C@@H]1[C@H]1CCCC(=O)C1=O 300830421 CGBBIZJKDWTNRU-ZIAGYGMSSA-N 323.433 3.495 10 10 DGCE CC[C@@H](C)N(CCO)c1ccc([C@H](C)N)c(Br)c1 310767845 LVRKVBLOJQTWRI-MNOVXSKESA-N 315.255 3.066 10 10 DGCE CO[C@@]1(C)CCN(c2ccc([C@@H](C)N)cc2Br)C1 310916370 RQJYCCFGZDGQMB-YGRLFVJLSA-N 313.239 3.084 10 10 DGCE CCN([C@@H]1CCOC1)[C@H](C)c1cc(Br)ccc1O 311181907 ZAZIEUUGBOEZIX-ZYHUDNBSSA-N 314.223 3.327 10 10 DGCE COC(=O)Cc1cc2scc(O)c2cc1Br 396272601 KEAVFMPVRWRUQN-UHFFFAOYSA-N 301.161 3.085 10 10 DGCE CCN(C(=O)/C=C\c1cnccn1)c1ccc(Cl)cc1F 493625238 IDXGBKWJCHTRGX-XQRVVYSFSA-N 305.740 3.335 10 10 DGCE CO[C@H]1CC[C@@H](C)N(Cc2c(O)cccc2Br)C1 687210033 WTSKJHFPFMANNL-MNOVXSKESA-N 314.223 3.154 10 10 DGCE C[C@@H](O)c1ccc(N2CCC(F)CC2)c(Br)c1 689404802 ITRACFJGBRJVIR-SECBINFHSA-N 302.187 3.441 10 10 DGCE Cc1ccc(O)c([C@@H](C)Nc2cnn(C)c2Br)c1 694158885 YTPANLTWJWOHCA-SECBINFHSA-N 310.195 3.370 10 10 DGCE Nc1cccc(Br)c1N[C@@H]1CCN2CCCC[C@H]12 697528947 LOSYUGBDCSWYFE-CHWSQXEVSA-N 310.239 3.070 10 10 DGCE CSC1CC(NCc2ccc(Br)cc2O)C1 708321247 QQRYEYJVVDLIQM-UHFFFAOYSA-N 302.237 3.138 10 10 DGCE COC(C)(C)[C@H](C)NCc1cccc(Br)c1O 720193543 IDYJYPLFDCSBGM-VIFPVBQESA-N 302.212 3.058 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H](NCc2ccccc2O)C(C)(C)C1 721865064 BCMIRDOESUUGNO-HNNXBMFYSA-N 320.433 3.127 10 10 DGCE Cc1cc(NCc2ccc(N(C)C)cc2)cc(OCCO)c1 775031082 AQEDNGRNWOLMQU-UHFFFAOYSA-N 300.402 3.044 10 10 DGCE COCCN(Cc1cc(OC)ccc1O)[C@H]1C[C@H]2CC[C@H]1C2 775207401 VEVDIHQHQLAXNU-ZQIUZPCESA-N 305.418 3.038 10 10 DGCE CNC(=O)C[C@@H](N[C@H](C)c1ccc(F)cc1O)c1ccccc1 795848853 AQFXRANGZNOEEZ-MLGOLLRUSA-N 316.376 3.059 10 10 DGCE OCCC1(NCc2ccc(N3CCCCC3)cc2)CCCC1 796455113 RZYXZEGRGWAAFE-UHFFFAOYSA-N 302.462 3.462 10 10 DGCE COc1ccc(N2CCC(N[C@H]3CCCC3(F)F)CC2)cc1 806180208 MJRJMHPUQNZVOM-INIZCTEOSA-N 310.388 3.441 10 10 DGCE COc1ccc(N2CC[C@@H](CN[C@@H](C)Cc3ccoc3)C2)cc1 818341911 IVSVVJJJZQCSGI-RDJZCZTQSA-N 314.429 3.335 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCC[C@@](O)(C2CC2)C1 827151759 JFWBTXQSQFTXOI-HNNXBMFYSA-N 316.228 3.436 10 10 DGCE Cc1nnc([C@H](C)NC/C=C/c2ccc(N(C)C)cc2)s1 835046932 AJKMQVVFLJPBNW-FYJFLYSWSA-N 302.447 3.277 10 10 DGCE C[C@H](NC/C=C\c1ccc(N(C)C)cc1)C(=O)OC1CCCC1 835049635 HFUOSEPUBSEHNX-XHPSBEMXSA-N 316.445 3.230 10 10 DGCE Cc1cc(N(C)C)ccc1CN1CCC[C@H](C2CCNCC2)C1 849350757 VFVPLFBLVPUKHQ-IBGZPJMESA-N 315.505 3.273 10 10 DGCE Cc1ccc(O)c(CNC(=O)NCC2(C3CCC3)CCC2)c1 858528768 KFKZOXVSWAMHJX-UHFFFAOYSA-N 302.418 3.470 10 10 DGCE CN(C)c1cc(F)c(CN2CCC[C@H]([C@@H]3CCOC3)C2)cc1F 862253101 IQZWHLUSIDGSKW-UONOGXRCSA-N 324.415 3.279 10 10 DGCE C[C@@H](NCC[C@H](O)C(F)F)c1ccc(N2CCCCC2)cc1 866442046 CKJYZHRMMZAETC-CJNGLKHVSA-N 312.404 3.344 10 10 DGCE C[C@@H](NC(=O)N[C@@H]1C[C@]1(F)c1ccccc1)c1ccccc1O 868725800 PHNSGVLNJHYQML-NJAPINKUSA-N 314.360 3.390 10 10 DGCE CCC(C)(C)NC(=O)CN(Cc1ccc(N(C)C)cc1)C1CC1 917074193 TXODFSVYMZBFMG-UHFFFAOYSA-N 317.477 3.022 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@@H]2CC[C@H]3COCC[C@@H]3C2)c1 922213614 PSNUEETWGRMNEK-LJISPDSOSA-N 305.418 3.257 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)C[C@@H]1CCCOC1 1124550146 ZWBKFJUOXFJXJY-KRWDZBQOSA-N 316.445 3.062 10 10 DGCE Cc1ccc(F)c(N)c1C(=O)N(C)Cc1ccc(N(C)C)cc1 1135690278 SOOYHPDGLUNIBX-UHFFFAOYSA-N 315.392 3.055 10 10 DGCE C[C@@H](NC(=O)CSc1ccc(O)cc1)c1ccccc1O 1171723574 VBWOVUUJXYHMKG-LLVKDONJSA-N 303.383 3.067 10 10 DGCE COc1ccc(N(C)CCN(C)Cc2ccc(F)cc2)cc1 1171730151 RRCPBTCQLZDSSZ-UHFFFAOYSA-N 302.393 3.403 10 10 DGCE O=C(CCc1cscn1)NCc1c(O)ccc2ccccc12 1179029908 VUPDRLYWYYYGEU-UHFFFAOYSA-N 312.394 3.251 10 10 DGCE COC[C@@H](CN(Cc1ccccc1O)C[C@@H]1CCCO1)C(C)C 1473262353 WSWTUWVQTAUJFO-MSOLQXFVSA-N 321.461 3.292 10 10 DGCE O=C(Nc1c(Cl)ccc2nonc12)[C@@H]1C[C@H]1c1ccco1 1543805527 FYJYWZFOUKCDIV-HTQZYQBOSA-N 303.705 3.211 10 10 DGCE Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)c(O)c1O 1595605075 HXPWWDPVICVWHG-AEDCBLDQSA-N 303.402 3.351 10 10 DGCE CCOc1ccc(N(C)Cc2ccc3oc(=O)n(C)c3c2)cc1 1620560199 OCDQHOFGRONFEB-UHFFFAOYSA-N 312.369 3.167 10 10 DGCE O=C(NCCc1ccsc1)NCc1cc(Cl)ccc1O 1679196573 UAOUDQNEOFVFRR-UHFFFAOYSA-N 310.806 3.149 10 10 DGCE CCCN(CC)c1nnc(C)n1Cc1ccc(N(C)C)cc1C 1728098376 CZMVIDQMWJNSHP-UHFFFAOYSA-N 315.465 3.246 10 10 DGCE O[C@@H]1C[C@@H]2CN(c3ccc(OCc4ccccc4)cc3)CC[C@@H]21 1899862112 DPMLDHDOSYEHOL-LSTHTHJFSA-N 309.409 3.473 10 10 DGCE CC[C@]1(F)CCN(Cc2cccc(Br)c2O)C1 1925576239 PWKRQKLJTSPKET-ZDUSSCGKSA-N 302.187 3.479 10 10 DGCE CCCN[C@H](c1ccccc1O)[C@@H](C)NC(=O)OC(C)(C)C 1928473433 BDZAXLHGGREFMW-DOMZBBRYSA-N 308.422 3.346 10 10 DGCE Cc1ccc([C@@H](C)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1 1938281419 NNJPZCPEANYKPA-MGPQQGTHSA-N 320.433 3.407 10 10 DGCE Cn1ccc2c([C@@H]3[C@@H](N)CCN3C(=O)OC(C)(C)C)cccc21 1952356182 OQBOPFAWLYFTOA-GOEBONIOSA-N 315.417 3.188 10 10 DGCE CC(C)(C)OC(=O)NC[C@H]1CCCN(CCCCN=[N+]=[N-])C1 1962299916 OSYCHQCTPIFKQS-CYBMUJFWSA-N 311.430 3.314 10 10 DGCE CC1(C)COCC[C@@H]1NCc1c(O)cccc1Br 1962972358 OPEPXWXKTYNIAZ-ZDUSSCGKSA-N 314.223 3.059 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC1C[C@@H]2CC[C@H](C1)O2 1963625054 VJJPHRPMFQCQJE-YOGCLGLASA-N 302.201 3.499 10 10 DGCE CCn1cc(Br)c(CN(C)c2ccc(OC)cc2)n1 1964110053 OFSSORSCTAEAQD-UHFFFAOYSA-N 324.222 3.311 10 10 DGCE Oc1c(Br)cccc1CN[C@@H]1CC[C@H]2[C@@H]1C2(F)F 1967820418 RRQITAPJMLZBTO-GDPRMGEGSA-N 318.161 3.288 10 10 DGCE C[C@H](CCCCCO)NCc1c(O)cccc1Br 1969753164 SJNIZBLOURONRP-LLVKDONJSA-N 316.239 3.186 10 10 DGCE CC(C)(C)OC(=O)N1CC2(CCCCN2c2ccc(N)cc2)C1 1977969820 FYRXGFFKEROMIB-UHFFFAOYSA-N 317.433 3.249 10 10 DGCE CC(C)(C)OC(=O)N1CCCC2(CN(CCCCN=[N+]=[N-])C2)C1 1982247671 KWZAHKRTFLJGDS-UHFFFAOYSA-N 323.441 3.410 10 10 DGCE Nc1ccc(Oc2ncnc(Cl)c2Br)cc1 1986747587 ZGCXKAZIQFKGLJ-UHFFFAOYSA-N 300.543 3.267 10 10 DGCE CSC1CC(CNCc2c(O)cccc2Br)C1 2016148279 WWLXLFBHDQCSPJ-UHFFFAOYSA-N 316.264 3.386 10 10 DGCE Cc1nc(CNCc2ccccc2O)ccc1Br 2077602899 QTBDBROFXBHRKN-UHFFFAOYSA-N 307.191 3.148 10 10 DGCE N[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1cc(Cl)cc(Cl)c1O 2094914233 JEIUQMWNRIUCKQ-CNDDSTCGSA-N 301.217 3.153 10 10 DGCE Cc1ccc(CN(C)c2ccc(CN)c(Br)c2)nc1 2105351198 LYKBBHRHQBDLFZ-UHFFFAOYSA-N 320.234 3.248 10 10 DGCE CC1(C)CC[C@@H](Sc2nccs2)C[C@]1(CO)NC1CC1 2155410702 JLQCMCVQYULEGC-IUODEOHRSA-N 312.504 3.297 10 10 DGCE CC[C@H](O)CN(Cc1ccccc1)c1ccc2c(c1)CCN2C 2210908378 ACJVONHZDVPFKQ-IBGZPJMESA-N 310.441 3.456 10 10 DGCE CSc1ncc(CNC2=NC[C@@H](C(C)C)CS2)s1 2257025195 CUTSKZGIHVIADL-SECBINFHSA-N 301.506 3.330 10 10 DGCE CCC(F)(F)CCS(=O)(=O)CCCc1ccc(N)cc1 2283761403 PJBMSMGDEYNEGC-UHFFFAOYSA-N 305.390 3.052 10 10 DGCE CC=CC[C@@H](CO)NC(=O)c1cc(C)n(-c2ccccc2)c1C 2309671941 RNCABILLTNNICY-INIZCTEOSA-N 312.413 3.151 10 10 DGCE Cc1cc(Br)c(CN2CCC[C@@H]2CN=[N+]=[N-])cn1 2315997895 NZNHBLRKUKBUDU-LLVKDONJSA-N 310.199 3.427 10 10 DGCE Cc1ccc(CN(C)c2ccccn2)c(O)c1Br 2327585816 XISGHCHLEUZMSH-UHFFFAOYSA-N 307.191 3.495 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@@]1(O)CCCSC1 2343703382 UADQYXPSVDJZAW-ZDUSSCGKSA-N 322.257 3.047 10 10 DGCE CCCN[C@@](CSc1nccs1)(CC1CCC1)C(=O)O 2366459488 YTQHROSCTRLQNE-CQSZACIVSA-N 314.476 3.248 10 10 DGCE O=C1/C(=C\c2ccncc2)SC(=S)N1Nc1ccccc1 5857512 WPEIBXMRVIDMLJ-JLHYYAGUSA-N 313.407 3.310 10 10 DGCE O=C1N=C(Nc2ccc(O)cc2)S/C1=C\c1ccccc1O 16904711 JCRFTVOPJDDINV-ZROIWOOFSA-N 312.350 3.180 10 10 DGCE COc1ccc(Cc2nccn2Cc2ccccc2O)cc1OC 82736311 AXNWEQUXUSXJCA-UHFFFAOYSA-N 324.380 3.245 10 10 DGCE CCN[C@H](C)c1ccc(N(C)Cc2scnc2C)cc1O 93671732 BMHQKUSMNAGQBK-LLVKDONJSA-N 305.447 3.464 10 10 DGCE CCN[C@H](C)c1ccc(N2C[C@H]3[C@@H](O)CC[C@H]3C2)c(Cl)c1 123850386 FJYKIZKJMFPZQF-WFTWPBCJSA-N 308.853 3.218 10 10 DGCE CC(=O)N[C@@H]1CCCN(Cc2cc(C)cc(C(C)(C)C)c2O)C1 124062772 XWLYOZBWHJKQRX-MRXNPFEDSA-N 318.461 3.099 10 10 DGCE O=C(NCc1ccc(O)c(O)c1)[C@H]1C[C@@H]1c1ccc(Cl)cc1 159102239 OMLWHLXMJGIFFW-KGLIPLIRSA-N 317.772 3.171 10 10 DGCE CC[C@]1(C)C[C@@H]1C(=O)N1CCCN(c2ccc(OC)cc2)CC1 177207718 YRNKPKQDLVIDGQ-IEBWSBKVSA-N 316.445 3.170 10 10 DGCE C[C@@H]1CCN(C(=O)c2cccc(O)c2O)[C@H](c2ccco2)C1 187157548 JWBDRVNOCFDWHH-YPMHNXCESA-N 301.342 3.304 10 10 DGCE CCN[C@@H](C)c1ccc(N(C)CCOC)cc1Br 233536689 JYUUSRYVKPOTDQ-NSHDSACASA-N 315.255 3.202 10 10 DGCE C[C@@H]1CN([C@H](C)c2cc(Br)ccc2O)[C@H](C)CO1 251687875 MYKBRTHSMXXQGR-GMTAPVOTSA-N 314.223 3.325 10 10 DGCE COc1ccc(O)c(CN2CCC(c3ccc(C)nc3)CC2)c1 378637691 OEMXGWXRIILVJW-UHFFFAOYSA-N 312.413 3.484 10 10 DGCE O=C(NCc1cccc(Br)c1O)[C@H]1CCCC12CC2 529174189 WROBCEORUDLTIP-LLVKDONJSA-N 324.218 3.351 10 10 DGCE COc1ccc(CNCc2cncc(Br)c2)cc1C 703004275 VZBPRZKJHLCXFN-UHFFFAOYSA-N 321.218 3.451 10 10 DGCE Brc1cc(N2CC[C@@H]3C[C@H]32)ccc1CNC1CC1 707088305 MKNXLEAPMZNZOY-MEBBXXQBSA-N 307.235 3.300 10 10 DGCE C[C@@H](O)c1ccc(N2CC[C@@H](CF)C2)cc1Br 711425335 FXAYOIHOFQMCRG-ZJUUUORDSA-N 302.187 3.298 10 10 DGCE COc1ccc2c(c1)CCN2Cc1cccc2c1OCCCO2 772596962 CQFZXLBGIALELN-UHFFFAOYSA-N 311.381 3.419 10 10 DGCE COC(=O)N1CCC[C@H]([C@@H](C)N[C@H](C)c2ccc(C)cc2O)C1 775579680 PQSUIANVDXXLES-KFWWJZLASA-N 320.433 3.218 10 10 DGCE CC[C@H](N[C@@H]1CNCC[C@H]1C)c1ccc(C(F)(F)F)cc1O 817969519 VWDJPONNEHHOJN-DDTOSNHZSA-N 316.367 3.450 10 10 DGCE COc1cc(O)c(CN[C@@H](C)C2CCC(F)CC2)cc1OC 827538066 MWWTXKARIYVMPW-DCBWTQNWSA-N 311.397 3.416 10 10 DGCE CN(C)c1ccc(/C=C/CNC[C@@H](O)CCc2ccccc2)cc1 835047210 CXLKZOAJTHDQOR-JLXBBBJOSA-N 324.468 3.349 10 10 DGCE C[C@@H]1CN(C/C=C\c2ccc(N(C)C)cc2)C[C@@H](C2CC2)O1 835055027 UZKGNEMOGQIEJA-FDVMBTMHSA-N 300.446 3.265 10 10 DGCE Cc1cc(CN2CC[C@](O)(C(F)F)C2)c(O)c(C(C)(C)C)c1 840114688 OBBUFIYDFMGMDW-QGZVFWFLSA-N 313.388 3.200 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCC[C@H]([C@@H]3CCNC3)C2)cc1 843125222 OKYAZNJCUAGJPP-KGJVCODVSA-N 313.489 3.087 10 10 DGCE Cc1cc(O)c(CN[C@H](C(C)C)C2(CO)CC=CC2)cc1C 843433268 WAJVZNHVZRNJTJ-GOSISDBHSA-N 303.446 3.452 10 10 DGCE CC[C@H](OCCNC(=O)c1cc(O)cs1)c1ccccc1 846657778 GGDZLEPWTSEXML-AWEZNQCLSA-N 305.399 3.351 10 10 DGCE CN(C)c1ccc(/C=C/CN2CC(=O)Nc3ccccc3C2)cc1 848925260 APFHSMQSLSIFCK-AATRIKPKSA-N 321.424 3.220 10 10 DGCE Oc1ccccc1[C@H](CCc1ccccc1)NCC12CC(CN1)C2 854227419 OILACKSEMMNHLL-BIXGBWIQSA-N 322.452 3.408 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ocnc1C(F)F 858826579 LROAZIFKHSVXLS-UHFFFAOYSA-N 323.343 3.341 10 10 DGCE C[C@@H](NCc1cc(Cl)cc(Cl)c1O)c1ccnn1C 865839134 HJUOCNMAAATPJA-MRVPVSSYSA-N 300.189 3.283 10 10 DGCE CCNCc1ccccc1NC(=O)N[C@@H](C)c1ccccc1O 868162773 IKXIIBLIQZSYHJ-ZDUSSCGKSA-N 313.401 3.384 10 10 DGCE Oc1cccc(F)c1CNC1CCN(Cc2ccccc2)CC1 896640224 HAVKQSFNWQHPSV-UHFFFAOYSA-N 314.404 3.286 10 10 DGCE CCO[C@@H]1CCC[C@H](N[C@H]2CCN(c3ccc(OC)cc3)C2)C1 903047983 VGLKTBFORCFLLY-TXPKVOOTSA-N 318.461 3.211 10 10 DGCE CC(=O)c1cc(Cl)cc(CN[C@H]2CCNC23CCCC3)c1O 903487015 ZUQBPRIFXFMYBG-HNNXBMFYSA-N 322.836 3.013 10 10 DGCE C[C@@H](O)[C@@H](NCc1ccc2c(c1)CCCO2)c1ccccc1F 922215336 GJAIIEWICXEGKX-BFUOFWGJSA-N 315.388 3.362 10 10 DGCE COC(=O)/C=C\c1ccc(N(C)[C@H](C)C2CC2)c([N+](=O)[O-])c1 931454115 QUNDFIWRUGLCRG-YOOZJCNJSA-N 304.346 3.016 10 10 DGCE CC[C@H](C)Oc1ccc(C(=O)NCc2cccc(O)c2O)cc1 1123978207 RHDLXNJJJVEDHI-LBPRGKRZSA-N 315.369 3.205 10 10 DGCE COc1ccc(CN[C@H](C)CNC(=O)/C=C/C(C)(C)C)cc1C 1266927651 LBORRIGHDDNLEH-BOLDSZDNSA-N 318.461 3.200 10 10 DGCE COc1ccc(C(=O)NCc2c(O)cccc2O)c2ccccc12 1304051640 ZNXKBYYPIHNNEW-UHFFFAOYSA-N 323.348 3.190 10 10 DGCE Cc1cc(CN(C)C[C@@H](C)C(=O)OC(C)(C)C)ccc1N(C)C 1307827369 ISVGCDGMFMJCHW-OAHLLOKOSA-N 320.477 3.471 10 10 DGCE COc1ccc(CNCCC[C@@H](C)NC(=O)[C@H]2C[C@@H]2C)cc1C 1330894696 NMPWIFPNWZLOSF-LXZKKBNFSA-N 318.461 3.034 10 10 DGCE CC(C)CN(CCc1ccccc1)C(=O)c1cccc(O)c1O 1441027725 NJHMZSSSCCQKMY-UHFFFAOYSA-N 313.397 3.439 10 10 DGCE O=C(NCc1c(O)cccc1F)c1cccc(OC(F)F)c1 1456086737 HEFQOKWCFYRYAH-UHFFFAOYSA-N 311.259 3.063 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21 1464505982 LMVUYYTYJCNBBC-IQZDNPOKSA-N 312.457 3.393 10 10 DGCE O=C(NCc1cccc(O)c1O)c1ccc(-c2ccccc2)[nH]1 1471642286 RDHRJDZUEPXSJI-UHFFFAOYSA-N 308.337 3.023 10 10 DGCE Cc1ccc(Cl)c2c1N(C(=O)/C=C/c1cnn(C)c1)CCC2 1584450233 JWIKLKWUHBJXRB-SOFGYWHQSA-N 315.804 3.375 10 10 DGCE CC[C@@H]1CCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])[C@H]1C 1612278703 IBBGTLHUBKCFSP-PIEIZJNZSA-N 318.373 3.406 10 10 DGCE CC(C)[C@H](C(=O)NCc1cc(O)ccc1O)c1ccc(F)cc1 1633599283 WGOFSNKHMBBRKR-KRWDZBQOSA-N 317.360 3.293 10 10 DGCE C[C@H]1CC(=O)CC[C@@H]1C(=O)NCc1c(O)ccc2ccccc12 1635965319 VNASLQHOCCZDOT-WFASDCNBSA-N 311.381 3.167 10 10 DGCE Cc1ccc2ccnc(NC(=O)Cc3ccc(O)c(O)c3)c2c1 1639449979 TXORILVFFMMKAC-UHFFFAOYSA-N 308.337 3.136 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)[C@@]2(C)CC=CCC2)cc1 1639814146 LWKFQANBUBXMQN-IBGZPJMESA-N 316.445 3.336 10 10 DGCE CC(C)(Oc1ccc(F)cc1)C(=O)NCc1c(O)cccc1F 1652296012 ZPHQUVNHEZIHJS-UHFFFAOYSA-N 321.323 3.144 10 10 DGCE CC/C(C)=C\C(=O)NC[C@@H](CC)NCc1ccc(OC)c(C)c1 1715055378 GNZZULAUCGTKBO-OOXMNIKJSA-N 318.461 3.344 10 10 DGCE O=C(CCn1c2c(c3ccccc31)CCCC2)N1CC(F)(F)C1 1851926651 VCLXLXXJYXCPHG-UHFFFAOYSA-N 318.367 3.388 10 10 DGCE CCOC(=O)N1CCC(N=NNc2ccc(F)c(F)c2)CC1 1860496657 PFKITFCPJLRRAV-UHFFFAOYSA-N 312.320 3.365 10 10 DGCE Cc1ccc(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)cc1Br 1912182689 FNRWQWGWYXBXCN-SNVBAGLBSA-N 309.167 3.282 10 10 DGCE [N-]=[N+]=NC1CN(C(=O)c2ccc(C(F)(F)F)c(Cl)c2)C1 1912201010 OLAHLKKXNFWVLA-UHFFFAOYSA-N 304.659 3.494 10 10 DGCE CN[C@H](c1ccccc1O)[C@@H](NC(=O)OC(C)(C)C)C(C)C 1928477002 OXNJXDMWCJZTEH-LSDHHAIUSA-N 308.422 3.202 10 10 DGCE OCc1ccc(N2CCS[C@@H]3CC[C@H]32)c(Br)c1 1946790838 KIHXUZBQWZSOBG-CHWSQXEVSA-N 314.248 3.026 10 10 DGCE CC(C)(C)OC(=O)N1CC2(CCCN(CCCN=[N+]=[N-])C2)C1 1962298305 DBCBEXPFFGNCNV-UHFFFAOYSA-N 309.414 3.020 10 10 DGCE O=C(O)[C@H]1CCCCN(Cc2cc(Cl)cc(Cl)c2O)C1 1972911646 YOQRWPKIOPOPBG-VIFPVBQESA-N 318.200 3.386 10 10 DGCE Nc1cccc(Br)c1N[C@@H]1CCCC[C@@H]1CCO 2030113077 KDMYIHWDOXBPRP-ZWNOBZJWSA-N 313.239 3.384 10 10 DGCE Oc1c(F)cc(Br)cc1CNC[C@@H]1C[C@@H]1C(F)F 2041783539 KNWPDAPHPWEWMT-RCOVLWMOSA-N 324.140 3.285 10 10 DGCE CCC[C@@H]1C[C@@H](NCc2cc(Br)ccc2O)CO1 2065791985 RFEIVRVPMIVVEB-CHWSQXEVSA-N 314.223 3.202 10 10 DGCE CC[C@@H](CN(C)c1ccc([C@H](C)O)cc1Br)OC 2068156835 DECGPYPJDVYGTP-JQWIXIFHSA-N 316.239 3.364 10 10 DGCE CNC(=O)c1cc(CC(C)C)nn1[C@@H](C)c1cc(C)ccc1O 2070080012 WZRNFWLVZLYBPK-ZDUSSCGKSA-N 315.417 3.065 10 10 DGCE Cc1cc(O)c([C@H](C)n2ncc(CN)c2Br)cc1C 2070332790 GKARWLIOHKZHDT-JTQLQIEISA-N 324.222 3.036 10 10 DGCE Nc1ccc(COc2c(N)ccc(F)c2Br)cc1 2078200474 VWTOWDKXRAHLKZ-UHFFFAOYSA-N 311.154 3.332 10 10 DGCE CN(C)c1ccc([C@](C)(O)c2ccc(Br)cn2)cc1 2106799318 UZGOFIUHEZTJEV-HNNXBMFYSA-N 321.218 3.166 10 10 DGCE CN(Cc1ccc(N)cc1)C(=O)c1nc(Cl)ccc1Cl 2148890874 NNJMUAHQVHDLLI-UHFFFAOYSA-N 310.184 3.243 10 10 DGCE C[C@H](O)c1cc(F)c(N2CC[C@H](P(C)(C)=O)C2)c(F)c1 2194523159 MRZHJPMZOSJZOM-ONGXEEELSA-N 303.289 3.220 10 10 DGCE Cc1nsc(Br)c1NCc1ccc(O)c(O)c1 2307223623 VFUWWYCYGCKIFZ-UHFFFAOYSA-N 315.192 3.237 10 10 DGCE CCOc1cc(C=C2SC(=S)N(CC)C2=O)ccc1OC 2313675688 KNYKRCKTTKOVCO-UHFFFAOYSA-N 323.439 3.315 10 10 DGCE COc1ccc(N2N=C(C)C(=C(C)NC3CCCC3)C2=O)cc1 2313682069 UMKWKUYVXMPUAM-UHFFFAOYSA-N 313.401 3.224 10 10 DGCE Cc1ccc(CNC(=O)CCC(F)F)c(O)c1Br 2327796942 PFZKFKSBMIRVHT-UHFFFAOYSA-N 322.149 3.125 10 10 DGCE OCc1ccc(N2CC(SC(F)(F)F)C2)cc1C1CC1 2364575077 WBOJAEWXEMRELI-UHFFFAOYSA-N 303.349 3.498 10 10 DGCE CCOCCOCCSc1ncc(CNCC(C)C)s1 2365614404 DKRNNCPKHXKPBR-UHFFFAOYSA-N 318.508 3.034 10 10 DGCE Cc1cc(O)c(O)cc1CCNC(=O)Nc1ccc(Cl)cc1 170281549 MUYVQJVAUPXKKG-UHFFFAOYSA-N 320.776 3.424 10 10 DGCE CCN(Cc1ccccn1)c1ccc(CN)cc1Br 213029486 YXLKAZJBHLQSLL-UHFFFAOYSA-N 320.234 3.329 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N2CCN3CCC[C@H]3C2)cc1 195324459 YBFMQYFEHPZEKX-IBGZPJMESA-N 323.440 3.014 10 10 DGCE COc1ccc(CN2CC(C)(C)OC3(CCCC3)C2)c(O)c1 191225824 VZVPRCKLCVDYQP-UHFFFAOYSA-N 305.418 3.324 10 10 DGCE CN[C@H](C)c1ccc(N(C)CCOCc2ccccc2)cc1O 384117237 LTQVYLUZZORIML-OAHLLOKOSA-N 314.429 3.326 10 10 DGCE C[C@@H](CCN[C@H](C)c1c(O)cccc1O)NC(=O)OC(C)(C)C 235081819 JZOICSCFLOAAFK-NWDGAFQWSA-N 324.421 3.052 10 10 DGCE Cc1cnc(CNC(=S)Nc2ccc3cn[nH]c3c2)c(C)c1 243867217 RKTCHJTYNHFUKZ-UHFFFAOYSA-N 311.414 3.061 10 10 DGCE CC(C)CNCc1ccc(N2CC[C@@H]([C@H](C)O)C2)c(Cl)c1 252779836 SGKSHRLNWCYFED-DZGCQCFKSA-N 310.869 3.293 10 10 DGCE COc1cccc(CNC(=O)C/C=C\c2ccc(C)cc2)c1O 255497338 KWGRUSPHKJGNIY-HYXAFXHYSA-N 311.381 3.429 10 10 DGCE CCOc1ccc(O)c(CNCC(C)(C)CN2CCCC2)c1 276608253 DVCHEUWJWBVTSX-UHFFFAOYSA-N 306.450 3.003 10 10 DGCE Cc1cc(Cl)cc(CN2CCOC[C@@H]2CC(F)F)c1O 289589089 KIHNFAGNFZBRBL-LBPRGKRZSA-N 305.752 3.210 10 10 DGCE CC[C@@H](NC[C@H](O)c1ccccc1OC)c1ccc(C)cc1O 280156490 QMRQNQCGVABOJD-AEFFLSMTSA-N 315.413 3.484 10 10 DGCE COc1ccc(CNC[C@@H]2CCN2C(=O)OC(C)(C)C)cc1C 724915387 SYCZVNVOVBTDOW-HNNXBMFYSA-N 320.433 3.103 10 10 DGCE Cc1cc(C)cc([C@@H]2CCN(C(=O)Cc3ccc(N)cc3)C2)c1 832152566 RJSSNASQWSMLJZ-QGZVFWFLSA-N 308.425 3.444 10 10 DGCE COc1ccc(N2CCCN(C(=O)/C=C\C(C)(C)C)CC2)cc1 731876645 HOTSGOPOKGRHBI-KHPPLWFESA-N 316.445 3.336 10 10 DGCE CN(C)c1ccc(CNC[C@@H]2CCC3(CCCC3)O2)cc1F 848576203 JJQWPNBLGSFWBA-HNNXBMFYSA-N 306.425 3.473 10 10 DGCE CC1(C)CCCN(c2ccnc(NCc3ccccc3O)n2)C1 848661060 QODLOLSZZCGCIK-UHFFFAOYSA-N 312.417 3.421 10 10 DGCE O=C(O)[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(Cl)cc1 756334032 WTZFROMEWZBNPD-INIZCTEOSA-N 317.772 3.190 10 10 DGCE COc1ccc(N2CCC(NCC[C@@H]3CCCOC3)CC2)cc1 858207317 OVYOKDMHPUMXNN-INIZCTEOSA-N 318.461 3.070 10 10 DGCE COC1(OC)CC[C@@H]1NCc1ccc(N2CCC(C)CC2)cc1 925009176 ARLXDZSCJQWSHG-SFHVURJKSA-N 318.461 3.164 10 10 DGCE COC(=O)c1ccc(O)c([C@@H](C)NC[C@](C)(O)CCC(C)C)c1 756601838 BKEBAQVEWHUBEJ-FZKQIMNGSA-N 323.433 3.017 10 10 DGCE CN(C)c1cc(F)c(CN[C@H]2C[C@@H](O)c3ccccc32)cc1F 858190005 XWWXVPBSJRNJDQ-FUHWJXTLSA-N 318.367 3.299 10 10 DGCE COc1ccc(N2CC[C@H](CN[C@H](C)[C@H]3CCCCO3)C2)cc1 858428489 URKCKEAJQOPPEP-GPMSIDNRSA-N 318.461 3.069 10 10 DGCE CCN(CC)c1ccc(CNc2ncc3c(n2)COC3)cc1F 865294981 XLMFTAVFVZLWMB-UHFFFAOYSA-N 316.380 3.104 10 10 DGCE CCOc1ccc(O)c(CN(C)[C@@H]2CCN(CC)[C@@H](C)C2)c1 769469588 AOIRVRAZZOMTDU-GOEBONIOSA-N 306.450 3.096 10 10 DGCE CCOc1ccc(O)c(CNCCC2CCN(C(C)C)CC2)c1 865716638 CGMCMVGVPUFHJF-UHFFFAOYSA-N 320.477 3.391 10 10 DGCE Oc1ccc(Cl)cc1CNc1ccc(N2CCCC2)nn1 865907671 DTGDZUXNVJKDOA-UHFFFAOYSA-N 304.781 3.048 10 10 DGCE CO[C@@H]1CCC[C@@H](N[C@H](C)c2ccc(N3CCOCC3)cc2)C1 773084607 URQGKWXZVDTBLM-SZVBFZGTSA-N 318.461 3.131 10 10 DGCE Cc1ccc(O)c2c1[C@H](C)C[C@H]2NC[C@]1(OC(C)C)CCOC1 1119606941 UXOKISUAXULVOH-SPYBWZPUSA-N 319.445 3.423 10 10 DGCE COC(=O)N1CCC[C@H]([C@@H](C)N[C@H](C)c2cc(F)ccc2O)C1 775578225 IXALSBHGPSJRMA-UPJWGTAASA-N 324.396 3.049 10 10 DGCE Oc1cccc(Br)c1CN[C@H]1C(F)(F)C12CC2 1876228541 NTKZOAKPYAODMN-SNVBAGLBSA-N 304.134 3.042 10 10 DGCE C[C@H](NC[C@@](C)(O)C1CCCCC1)c1cc([N+](=O)[O-])ccc1O 790703841 UQIUGPIBIKKEMV-YVEFUNNKSA-N 322.405 3.282 10 10 DGCE Oc1ccc(Cl)c(F)c1CN1CCC[C@H]([C@H]2CCOC2)C1 792173045 QBQPEJFGGMEXQI-RYUDHWBXSA-N 313.800 3.433 10 10 DGCE CN[C@@H](C)c1cnc(SCCNC(=O)OC(C)(C)C)s1 1883313845 HDIZHEDPNMDTQO-VIFPVBQESA-N 317.480 3.040 10 10 DGCE CN(Cc1ccc(N)cc1)Cc1ccc(Br)cn1 167080643 YRVASIUXVUBRJK-UHFFFAOYSA-N 306.207 3.058 10 10 DGCE O=C(O)c1ccc(NCc2ccc(N3CCCC3)cc2)cc1O 76273260 DDADFYZGZSVXJV-UHFFFAOYSA-N 312.369 3.303 10 10 DGCE C[C@H](NCCCCNC(=O)OC(C)(C)C)c1cc(O)ccc1O 397852005 KGHUUAYRRQRRAJ-LBPRGKRZSA-N 324.421 3.053 10 10 DGCE COc1ccc(N(C)CCN(C)CCc2cccs2)cc1 1171729520 JYXIGFHMXLADSW-UHFFFAOYSA-N 304.459 3.367 10 10 DGCE CCCN(Cc1ccc(Br)cc1O)[C@H]1CCOC1 691680904 WJTQHLJGVGNOFU-ZDUSSCGKSA-N 314.223 3.156 10 10 DGCE O=C(O)CC1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 93682218 HCVZYPYKVHQXIF-UHFFFAOYSA-N 318.200 3.386 10 10 DGCE Cc1cc(CN[C@]2(CO)CCCC(C)(C)C2)ccc1N(C)C 1196218304 ORMPCCLMDKZYJW-LJQANCHMSA-N 304.478 3.482 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccsn1 1523554303 SZKDBWGPUGHZSK-UHFFFAOYSA-N 301.415 3.016 10 10 DGCE CN(C)c1ccc(CN2CCC[C@H]2[C@@H](O)c2ccccc2)cc1 1620481894 UZNKASBQMADKHY-PMACEKPBSA-N 310.441 3.451 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1cc(F)cc(F)c1O 1631159399 NFGFTJAGBODUDW-UHFFFAOYSA-N 321.323 3.428 10 10 DGCE CC[C@@H](C)[C@@H](C)N1CCN(c2ccc(OC)cc2OC)CC1 1560083131 QLLKUKIRFWWIPD-HUUCEWRRSA-N 306.450 3.260 10 10 DGCE Nc1ccc(CCCn2cc(C(=O)O)cc2Br)cc1 2123102468 TXZODYJSKODWEW-UHFFFAOYSA-N 323.190 3.164 10 10 DGCE Cc1ccc(C(=O)N2CCC[C@H](C3CCCC3)C2)c(O)c1O 1640658622 IOAREEJEYFRHCV-AWEZNQCLSA-N 303.402 3.449 10 10 DGCE COC(=O)c1cnc(S[C@@H](C(C)=O)c2ccccc2)s1 1656581270 XMLIWHHABMPBFE-LBPRGKRZSA-N 307.396 3.352 10 10 DGCE C[C@H](NC(=O)NC[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C)c1ccc(N(C)C)cc1 1671852159 RYGCXMBOOOHKAB-CSAOUQSSSA-N 315.461 3.405 10 10 DGCE Cc1ccccc1N1C(=O)[C@H](CN2CCCCC2)SC1=S 5756232 KAEMSVUUBMKFSA-AWEZNQCLSA-N 320.483 3.214 10 10 DGCE CCCN(CCN(C)C)c1ccc(CNC2CC2)cc1Cl 164039934 YLJWGXJCWSARGY-UHFFFAOYSA-N 309.885 3.370 10 10 DGCE Cc1ccc(O)c(CNCC(=O)Nc2cccc(Cl)c2)c1 1857857314 ARFIPWPUERJRJR-UHFFFAOYSA-N 304.777 3.082 10 10 DGCE Cc1cc(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)oc1Br 1912159569 JIJMSCGDVOYPGH-QMMMGPOBSA-N 313.155 3.123 10 10 DGCE CC(C)(C)OC(=O)N1CC2(CC2)C[C@@H]1[C@@H](N)c1ccccc1O 1903289705 JNAPCNASRFDLDB-HIFRSBDPSA-N 318.417 3.182 10 10 DGCE Oc1cccc2c1[C@@H](N[C@H]1CCCC3(CC1)OCCO3)CC2 1967524749 QIAMRNKSZZYAKY-GJZGRUSLSA-N 303.402 3.045 10 10 DGCE CC(C)C[C@](C)(O)CNCc1cc(Br)ccc1O 232645927 DAQUOGVTOCGKEM-AWEZNQCLSA-N 316.239 3.041 10 10 DGCE COc1ccc([C@H]2CC(=O)CCN2C(=O)OC(C)(C)C)c(O)c1 1952061464 JATMQNPXTKDXQX-CQSZACIVSA-N 321.373 3.042 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CO[C@@H](CCCc2ccc(N)cc2)C1 1952908335 CTDMVQASWLTTGH-CVEARBPZSA-N 320.433 3.274 10 10 DGCE N[C@H]1CCc2cc(N3CC[C@@H](OCc4ccccc4)C3)ccc21 1986608540 DZUNQNYCODSLRM-QUCCMNQESA-N 308.425 3.428 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](CCNCc2ccc(N)cc2)C1 1993864035 NFJUZEFVXHNIKE-HNNXBMFYSA-N 319.449 3.006 10 10 DGCE O=C1NC(=S)SC1=Cc1csc(-c2ccccc2)n1 2042446200 YQWJIZLABBVFMF-UHFFFAOYSA-N 304.421 3.299 10 10 DGCE CC(C)N[C@]1(C(=O)O)CCC[C@H](Sc2nccs2)[C@H]1C 2175822034 BDXPXXOWDGVISK-UHIISALHSA-N 314.476 3.245 10 10 DGCE CC[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@H]1N(C)C 2170467188 NGFYNEJTOAHLPO-QMTHXVAHSA-N 317.260 3.471 10 10 DGCE CC[C@@H]1C[C@@H](N(C)Cc2cc(Br)ccc2O)CO1 688539193 YERONANLBPQMBA-CHWSQXEVSA-N 314.223 3.154 10 10 DGCE C[C@@H](CNCc1cc(Br)ccc1O)[C@@H]1CCCO1 720531214 XMPPGGSEKHBPDQ-HZMBPMFUSA-N 314.223 3.059 10 10 DGCE COC(=O)c1c(C)nn([C@@H](C)c2ccc(C)cc2O)c1Cl 2079109801 UVVPCSPCCWOWPD-JTQLQIEISA-N 308.765 3.255 10 10 DGCE CC(F)(F)c1cc(CNCc2ccc(Cl)cc2O)no1 2192907089 VIGPWPABIYLYOZ-UHFFFAOYSA-N 302.708 3.435 10 10 DGCE C[C@H](O)c1ccc(N2CC(O)(c3ccsc3)C2)cc1Cl 2193352479 ZRPHNHSRIRIDBJ-JTQLQIEISA-N 309.818 3.163 10 10 DGCE CP(C)(=O)C1CCN(c2ccc(CN)cc2Cl)CC1 2103098579 INFGQVICLVPLJI-UHFFFAOYSA-N 300.770 3.390 10 10 DGCE COc1ccc(Br)c(CN[C@@]2(C)CC2(C)C)c1O 2220461913 DFANAQAIJTVGBF-AWEZNQCLSA-N 314.223 3.442 10 10 DGCE COc1ccc(Br)c(CN(C)CC(C)(F)F)c1O 2220484033 YIMHMMBPTQBJKK-UHFFFAOYSA-N 324.165 3.250 10 10 DGCE CSc1ncc(CNC(=O)c2cccc3[nH]ccc23)s1 2284715991 XWKHZSOVZDKJGS-UHFFFAOYSA-N 303.412 3.276 10 10 DGCE O=C1NN(c2ccccc2)C(=O)C1=Cc1cccc2ccccc12 2297592740 JCYVUPRVFQQUDE-UHFFFAOYSA-N 314.344 3.301 10 10 DGCE Cc1c(/C=C\C(=O)N(C)c2ccc(F)c(Cl)c2)cnn1C 492364585 JMDIPJJTBOIBKK-DAXSKMNVSA-N 307.756 3.197 10 10 DGCE CCCCCNC(C)=C1C(=O)N(c2ccc(OC)cc2)N=C1C 2313682066 ULRLHEIVPRWLDU-UHFFFAOYSA-N 315.417 3.472 10 10 DGCE O=C1c2ccccc2C(=O)C1(O)c1ccc(Cl)c(Cl)c1 39379098 GBTXUTBNBNQUIC-UHFFFAOYSA-N 307.132 3.260 10 10 DGCE C[C@H](NS(=O)(=O)Cc1ccc(N)cc1)c1ccccc1Cl 40323642 ZIKQUZUJEVHTLC-NSHDSACASA-N 324.833 3.103 10 10 DGCE Cc1cc(C(=O)N2CCOC[C@H]2C)c(C)n1-c1cccc(F)c1 63769009 ZWPYBARIYCIHRI-CYBMUJFWSA-N 316.376 3.094 10 10 DGCE COc1ccc2c(c1)NC1(CCCCC1)CN2C1CCNCC1 75280930 AXNKFCPLQMWPDV-UHFFFAOYSA-N 315.461 3.382 10 10 DGCE NC1C[C@@H]2CCC[C@@H](C1)N2c1ccc(OC(F)(F)F)cc1 108030248 DRCPLAWROASVDL-STQMWFEESA-N 300.324 3.434 10 10 DGCE C[C@@H]1SCCN(c2c(F)cc(/C=C/C(=O)O)cc2F)[C@@H]1C 133341189 QAMJEKCEZFEAGU-OKWQPMOJSA-N 313.369 3.393 10 10 DGCE COCCNCc1ccc(N2CCSC(C)(C)C2)c(C)c1 158927343 CDTGUFBIKJWSQN-UHFFFAOYSA-N 308.491 3.063 10 10 DGCE CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1F 161923179 PWWXSESVAJDMIQ-ZHACJKMWSA-N 300.289 3.410 10 10 DGCE COc1ccc(CNc2ccc(C(=O)N(C)C)c(C)c2)c(O)c1 194908651 HPMCFQMJPVVDIG-UHFFFAOYSA-N 314.385 3.023 10 10 DGCE CCCNCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(OCC)c1 212714861 GLLJSRKMLYVQPD-GASCZTMLSA-N 306.450 3.199 10 10 DGCE CCOc1cc(CNC(C)C)ccc1N1C[C@H](C)O[C@H](C)C1 212715087 XCQMPIAXCUQVCR-GASCZTMLSA-N 306.450 3.197 10 10 DGCE C[C@H](N)c1ccc(N2CC[C@@H](N3CCCCC3)C2)cc1Cl 227328960 SRHOVVKEUVWLGN-DZGCQCFKSA-N 307.869 3.424 10 10 DGCE Oc1ccccc1CNc1cc(Cl)nc(C(F)(F)F)n1 229337956 ZGRUXCSVPWESHI-UHFFFAOYSA-N 303.671 3.467 10 10 DGCE CC[C@@H](NC[C@@H](O)c1ccccc1OC)c1ccc(C)cc1O 280156498 QMRQNQCGVABOJD-SJLPKXTDSA-N 315.413 3.484 10 10 DGCE C[C@H](N)c1ccc(N(C)[C@@H]2CCO[C@H]2C)cc1Br 300519367 UGBIOUMPNMKXPW-PKFCDNJMSA-N 313.239 3.082 10 10 DGCE C[C@@H]1CN(c2ccc([C@@H](C)N)c(Br)c2)[C@H](C)CO1 300521485 XIOLPUGYDAZPHK-GMTAPVOTSA-N 313.239 3.082 10 10 DGCE COc1cccc2sc(I)c(O)c12 307171098 AYYSLNBHLJRAAV-UHFFFAOYSA-N 306.124 3.220 10 10 DGCE C[C@H](N[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)c1c(O)cccc1O 394476294 AMAQXZUACAVHQV-WOPDTQHZSA-N 324.421 3.050 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CC[C@H]3C[C@@H]3C2)c1 528090552 ZWIPVXDDRMUOEX-CRWXNKLISA-N 318.417 3.197 10 10 DGCE CN[C@H](C)c1ccc(N2CC(C(F)F)C2)cc1Br 706446938 USBSVVIBMLYROJ-MRVPVSSYSA-N 319.193 3.431 10 10 DGCE C[C@H]1CC[C@H](N(C)Cc2c(O)cccc2Br)CO1 707140855 UGQBTPJOUMCDPN-QWRGUYRKSA-N 314.223 3.154 10 10 DGCE C[C@H]1CN(C(=O)c2cc(O)cs2)C[C@@H](c2ccccc2)O1 731871065 DAWJXXCFHAXUGG-FZMZJTMJSA-N 303.383 3.056 10 10 DGCE CC(C)[C@@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 755173564 AKMCOUPHJIFTJW-QGZVFWFLSA-N 313.445 3.250 10 10 DGCE Oc1nccc2c1CN(Cc1ccc(N3CCCCC3)cc1)CC2 756139117 QNSGMGPBLRCEJN-UHFFFAOYSA-N 323.440 3.336 10 10 DGCE Cc1ccccc1C[C@@H](C)N(C)C(=O)c1ccc(C)c(O)c1O 773216539 ZYBMTJCOZSWTFX-CQSZACIVSA-N 313.397 3.418 10 10 DGCE CCCN(Cc1cn2cccc(F)c2n1)c1ccc(CN)cc1 775139937 GRVIPVTYTOKONQ-UHFFFAOYSA-N 312.392 3.349 10 10 DGCE Cc1cc(Cl)cc(CN[C@H](C(=O)N2CCCC2)C(C)C)c1O 776177473 PEMKMSDWRUIDTJ-HNNXBMFYSA-N 324.852 3.091 10 10 DGCE CC(C)(C)[C@@H]1CCN(Cc2c(O)ccc(Cl)c2F)C[C@@H]1O 792174127 LRHISUKEEXDZRQ-RISCZKNCSA-N 315.816 3.414 10 10 DGCE CC(=O)C(=O)COC(=O)c1sc2cccc(C)c2c1Cl 808500808 YKFRDERTHVTIMQ-UHFFFAOYSA-N 310.758 3.178 10 10 DGCE CNC(=O)c1ccc(NCc2cc(Cl)cc(C)c2O)cc1 809659778 ZJDWSTHVVJMLIG-UHFFFAOYSA-N 304.777 3.326 10 10 DGCE Cc1cc(O)c(CNC[C@H](CO)c2ccccc2)c(Cl)c1 840903829 QOFLBPIALBINBV-CQSZACIVSA-N 305.805 3.220 10 10 DGCE CCN(CC)c1ccc(CNC[C@H]2CCC[C@H]2C(=O)O)cc1 841819874 KJCDRKZBVSLIDA-NVXWUHKLSA-N 304.434 3.123 10 10 DGCE COC(=O)c1cc(CNCc2ccc(N(C)C)cc2C)c(C)o1 848895594 OGPGHAIPXYKNPA-UHFFFAOYSA-N 316.401 3.039 10 10 DGCE CCc1cccc(CNCc2nccn2CC(F)(F)F)c1O 848895893 QYOLFLNXPSBDCF-UHFFFAOYSA-N 313.323 3.003 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)NCCC(C)(C)C)C2)cc1 851957960 VDQQTPJWOVBMMP-CQSZACIVSA-N 319.449 3.009 10 10 DGCE C[C@H](NC(=O)NC[C@@]1(C)CC1(F)F)c1ccc(N(C)C)cc1 852261267 OMWUCOZJVZUHJI-XHDPSFHLSA-N 311.376 3.158 10 10 DGCE CCc1cccc(CN2CC[C@H](Oc3ccc(C)cn3)C2)c1O 858015327 YYAADZJHHCXPGN-KRWDZBQOSA-N 312.413 3.311 10 10 DGCE CN(C)c1ccc(CNC[C@@H]2CCN2C2CCCCC2)cc1 858221332 GHDZAPBYEPRBKV-IBGZPJMESA-N 301.478 3.249 10 10 DGCE Cc1ccc(CS(=O)(=O)N[C@@H](C)c2ccccc2O)cc1C 867833850 CCYNLYVVACFWFU-AWEZNQCLSA-N 319.426 3.190 10 10 DGCE C[C@@H]1C[C@@H](NCCC[C@@H]2CCOC2=O)c2c(O)ccc(F)c21 872113214 NNTFIDJNPVIRCA-NQBHXWOUSA-N 307.365 3.013 10 10 DGCE Cc1cc(N(C)C)ccc1CNCc1cnc2onc(C)c2c1 894256441 QPYUWISTWRXRQW-UHFFFAOYSA-N 310.401 3.195 10 10 DGCE CN(C)c1ccc(CNCc2cc(N)ccn2)c(C(F)(F)F)c1 903954344 QXVVFELBUYPWRO-UHFFFAOYSA-N 324.350 3.038 10 10 DGCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H]2CC[C@H]2C)c1 1157137997 VSVQOOXXTRQMOA-KZULUSFZSA-N 310.397 3.435 10 10 DGCE O=[N+]([O-])c1cc2c(nc1NCc1c(O)cccc1F)CCCC2 1164185393 FUISTFSUCCUOKW-UHFFFAOYSA-N 317.320 3.325 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCC=CO2)cc1 1440675448 RVSTZEXCMXGDFW-KRWDZBQOSA-N 302.418 3.184 10 10 DGCE CCC(=O)c1cc(C(=O)NCc2c(O)cccc2F)ccc1F 1456028608 JRKZNDJGPJCVMB-UHFFFAOYSA-N 319.307 3.193 10 10 DGCE COc1cc(C)ccc1NC(=O)c1ccc(N=NC(N)=O)cc1 1627254969 ZKDWZVWRFIFPDL-UHFFFAOYSA-N 312.329 3.418 10 10 DGCE CCSc1ccc(CNC(=O)Cc2ccc(O)c(O)c2)cc1 1633226147 RLZJULIOLSJTRQ-UHFFFAOYSA-N 317.410 3.069 10 10 DGCE Cc1cc(O)ccc1N1C(=O)/C(=C\c2ccc[nH]2)SC1=S 1860084253 HBQTXEYVUMKJFU-MDWZMJQESA-N 316.407 3.435 10 10 DGCE CCN(CCN=[N+]=[N-])C(=O)c1sccc1Br 1900610231 XPMPSFKUXCRWPQ-UHFFFAOYSA-N 303.185 3.283 10 10 DGCE O=C(O)C=Cc1ccc(N2C[C@H]3CSC[C@H]3C2)c(Cl)c1 1911950943 KJGDFNVBPUWZOT-TXEJJXNPSA-N 309.818 3.237 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)c2cccc(Br)c2)C1 1912181976 VSHOTCWRKOZMNH-VIFPVBQESA-N 309.167 3.222 10 10 DGCE C[C@@H](O)c1ccc(N2CC(N(C)Cc3ccccc3)C2)c(F)c1 1914215798 OQGXACXTENZQQY-CQSZACIVSA-N 314.404 3.200 10 10 DGCE Oc1c(Br)cccc1CN1CCCC[C@H](F)C1 1946967891 MKTFSEPKVWUBSS-NSHDSACASA-N 302.187 3.479 10 10 DGCE Cc1c([C@@H](NC(=O)OC(C)(C)C)C(=O)O)c2ccccc2n1C 1951390840 KPQIIRRAESWEMQ-CQSZACIVSA-N 318.373 3.137 10 10 DGCE CC(C)(C)OC(=O)N1CC2(CCCN2CCCCN=[N+]=[N-])C1 1962287046 FCGQUBUMULXUGR-UHFFFAOYSA-N 309.414 3.162 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](F)CN1CCCCN=[N+]=[N-] 1962306056 XMXQFJTVISXQQZ-NEPJUHHUSA-N 315.393 3.014 10 10 DGCE CNCc1ccc(N(C)CC2CC(F)C2)c(Br)c1 2031655944 YAXWDWPELUXTQC-UHFFFAOYSA-N 315.230 3.353 10 10 DGCE CO[C@@H](C)CCN(C)c1ccc([C@H](C)O)c(Br)c1 2059359415 MLZWGVYBEBRAAY-QWRGUYRKSA-N 316.239 3.364 10 10 DGCE CCO[C@H](CNCc1cc(Br)ccc1O)C(C)C 2068091414 YNTUHQUUSYDDHH-CQSZACIVSA-N 316.239 3.305 10 10 DGCE COc1ccc(O)c([C@@H](C)n2nc(C3CCC3)cc2C=O)c1 2070003350 RRNJXKGDIIZILW-LLVKDONJSA-N 300.358 3.287 10 10 DGCE C[C@]12CC[C@@H]1CN(c1cc(Br)c(CN)cc1F)C2 2086877110 JDNYNIWAHYIASI-QMTHXVAHSA-N 313.214 3.283 10 10 DGCE COc1ccc2nc(Sc3ncc([C@H](C)N)s3)[nH]c2c1 2159807633 NLPYXJPRBVOZKU-ZETCQYMHSA-N 306.416 3.199 10 10 DGCE C[C@H](N)c1ccc(N(C)C[C@]2(C)CSCCO2)c(Cl)c1 2201256743 KUKSYNVQRFAECM-XHDPSFHLSA-N 314.882 3.318 10 10 DGCE CSc1ncc(CNCc2ccc3c(c2)C[C@@H](C)O3)s1 2208563300 JIOJMOHDSDCIAX-SNVBAGLBSA-N 306.456 3.478 10 10 DGCE C[C@H](O)c1ccc(N2CC[C@H]3C[C@@]3(F)C2)cc1Br 2222657970 PWAKARYRKJEAPF-PKFCDNJMSA-N 314.198 3.441 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H]2CCCN(CCCN=[N+]=[N-])[C@H]2C1 2245454335 KGTCXGIMKJTYNT-KGLIPLIRSA-N 323.441 3.408 10 10 DGCE C[C@@]12CO[C@@H](C1)[C@@H](NCc1cc(Cl)cc(Cl)c1O)C2 2270756663 NVIOLQPTDLTBOR-OBJOEFQTSA-N 302.201 3.356 10 10 DGCE CCCC(=O)N(C)Cc1ccc(C)c(Br)c1O 2307480634 WKRDHBSEEZBRJB-UHFFFAOYSA-N 300.196 3.222 10 10 DGCE CCCC1=NN(CC(C)C)C(=O)C1=Cc1ccc(O)cc1O 2332096179 XJEZDRGOHPFZIM-UHFFFAOYSA-N 302.374 3.136 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)c2ccc(C)o2)c1 103511262 FKUAAHTYMZRMDE-VXGBXAGGSA-N 318.373 3.424 10 10 DGCE Cc1ncc(CNCc2cc(Br)ccc2O)s1 105448553 BMNQTLLJRFDKOX-UHFFFAOYSA-N 313.220 3.209 10 10 DGCE Oc1cccc(N2CCN(Cc3cccc(Cl)c3O)CC2)c1 179621338 PAWXITJXJSSBFS-UHFFFAOYSA-N 318.804 3.073 10 10 DGCE Cc1cccc2nc(C(=O)O)c(/N=N\c3cccc(C(=O)O)c3)n12 71590975 QDBHWCVXYSLVQW-HNENSFHCSA-N 324.296 3.455 10 10 DGCE O=C(O)/C=C\c1ccc(N2CC=CCC2)cc1Br 310606477 FSKDUQGTVAFXJX-ALCCZGGFSA-N 308.175 3.313 10 10 DGCE COc1ccccc1[C@@H](O)CN[C@H](C)c1ccc(N(C)C)cc1 130486743 WUYWUEFUSDNYGN-KDOFPFPSSA-N 314.429 3.145 10 10 DGCE Cc1cncc(/C=C/C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 131553344 BKFLKWIAAFRSRK-JXMROGBWSA-N 309.413 3.128 10 10 DGCE CC[C@@H](CNCc1ccc(OC)c(C)c1)NC(=O)OC(C)(C)C 227716906 AUQPHDLDDLZTBZ-HNNXBMFYSA-N 322.449 3.397 10 10 DGCE CCN[C@@H]1C(=O)Nc2cc(N(C)C[C@@H]3C[C@H]3C)c(Cl)cc21 252614026 XSPOEUONNZXPJG-FTGAXOIBSA-N 307.825 3.035 10 10 DGCE Nc1ccc(CNC(=O)CSc2ccc(Cl)cc2)cc1 700716108 JVRYYEVPRFANSB-UHFFFAOYSA-N 306.818 3.331 10 10 DGCE CO[C@@H](C)[C@@H](C)N[C@@H](C)c1ccc(Br)cc1O 290241665 SQDHVNMUEZVCEK-UTLUCORTSA-N 302.212 3.229 10 10 DGCE NCc1ccc(N2C[C@@H]3[C@@H](C2)[C@H]2C=C[C@H]3C2)cc1Br 723178681 AWFNDSFBRUWRDG-GVARAGBVSA-N 319.246 3.166 10 10 DGCE CO[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)C1CCCCC1 824669339 JHPCWBCHLWXYDD-QGZVFWFLSA-N 322.424 3.103 10 10 DGCE Nc1ccc(OCCn2ccc3c2CCN=C3C(F)(F)F)cc1 821289928 OGEIEMBCNSOFQR-UHFFFAOYSA-N 323.318 3.057 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)NCCc1ccsc1 734520418 IECSIQDSMBGYSX-UHFFFAOYSA-N 317.458 3.164 10 10 DGCE COC[C@](C)(O)CCN[C@@H](C)c1cc(Cl)c(Cl)cc1O 834844721 UFVFYHIFYCECMF-LKFCYVNXSA-N 322.232 3.137 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCC(n3ccnc3)CC2)cc1 835027314 LIRIRFGWZOYKDB-ONEGZZNKSA-N 310.445 3.299 10 10 DGCE CCOc1cccc(CNCc2cccc(C)c2OC)c1O 848562440 DIRVNIYEIIHQLQ-UHFFFAOYSA-N 301.386 3.398 10 10 DGCE CN(CC(=O)NC(C)(C)C)c1ccc(-c2nccs2)cc1 846992940 OZHNDSZOMPECNN-UHFFFAOYSA-N 303.431 3.161 10 10 DGCE COc1ccc(O)c(CN[C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)c1 843436420 LAOXLOPAAOUBEP-GXTWGEPZSA-N 321.417 3.001 10 10 DGCE C/C(=C\c1ccccn1)C(=O)NCc1ccc2c(c1)CCCN2C 846843189 MSFFKTPWSPIQMX-NTCAYCPXSA-N 321.424 3.184 10 10 DGCE CC[C@H](NC[C@](C)(CO)OC)c1cc(Cl)cc(Cl)c1O 848556398 WRULUBMYRATZON-GXTWGEPZSA-N 322.232 3.137 10 10 DGCE COC(=O)c1cnc(SCc2cc(OC(C)C)ccn2)s1 845317515 MTTZXXBDBGPDDM-UHFFFAOYSA-N 324.427 3.404 10 10 DGCE COc1ccc(N2CC[C@H](N[C@@H](C)C3CCSCC3)C2)cc1 850486827 DHBLNYXVFKTFAJ-HOCLYGCPSA-N 320.502 3.395 10 10 DGCE COc1cccc([C@H](C)N[C@H]2COc3cccc(C)c3C2)c1O 858459943 OTRKZGGXOAOYJJ-UONOGXRCSA-N 313.397 3.364 10 10 DGCE CCCOc1ccc(CNCc2noc3c2COCC3)cc1C 923019251 RLBYGKYVSVMREV-UHFFFAOYSA-N 316.401 3.134 10 10 DGCE C[C@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1cscn1 852261388 RCFQHZKWAPMMLA-NEPJUHHUSA-N 318.446 3.331 10 10 DGCE O=C(Nc1ccc2c(c1)CCCO2)N1Cc2cccc(O)c2C1 930107305 YBHYOKVIHZVJRK-UHFFFAOYSA-N 310.353 3.265 10 10 DGCE O=C(Nc1nc(C2CC2)cs1)N1Cc2cccc(O)c2C1 866099966 BDSVXRARPQPPEI-UHFFFAOYSA-N 301.371 3.274 10 10 DGCE Oc1cc2c(cc1CN1CCC[C@]3(CC=CCC3)C1)[C@@H](O)CO2 768445672 GKKVGTDVYQQPGM-PKOBYXMFSA-N 315.413 3.140 10 10 DGCE CN(C)c1cc(F)c(CNCC[C@@H]2CCCS2)cc1F 864052304 HHMIRGCWZYWWLK-LBPRGKRZSA-N 300.418 3.406 10 10 DGCE Oc1c(Br)cccc1CNC[C@H](F)C(F)(F)F 1876095337 WWLIQIHTOTYADI-QMMMGPOBSA-N 316.092 3.145 10 10 DGCE CCN1CC[C@H](N(C)Cc2cc(Cl)cc(F)c2O)[C@H](C)C1 775717911 VFJASADHGZFLGW-ABAIWWIYSA-N 314.832 3.347 10 10 DGCE CC[C@@H](C)[C@H](O)CNC(=O)c1sccc1-n1c(C)ccc1C 1137355931 TXHSLEMSWXLWLA-IAQYHMDHSA-N 320.458 3.292 10 10 DGCE CCN(CC)c1ccc(CNC(=O)N[C@@H]2C[C@H]2C2CC2)cc1F 797454010 XCHGLNWBBQVKRO-GOEBONIOSA-N 319.424 3.270 10 10 DGCE COC(=O)/C=C/c1ccc(N2CCC(C)=C(C)C2)c([N+](=O)[O-])c1 795302592 IVTDAXDXWWBOSW-FNORWQNLSA-N 316.357 3.328 10 10 DGCE C/C(=C\C(=O)NCc1cc(O)ccc1O)c1cccc(Cl)c1 1303225428 HUEZLHJURORMTO-YRNVUSSQSA-N 317.772 3.471 10 10 DGCE C/C(=C/c1cccnc1)C(=O)NCc1cccc(Cl)c1O 1180420176 HRVUHDIIJIAJMG-FLIBITNWSA-N 302.761 3.160 10 10 DGCE C/C=C/C[C@H](NCc1ccc(N2CCCC2)cc1)C(=O)OCC 1321148877 ODSVVDOWVSGNEF-YZTRRJNXSA-N 316.445 3.274 10 10 DGCE C[C@@H]1C[C@H]1c1ccc(CCC(=O)NCc2cccc(O)c2O)o1 1347531304 UUVYYJNUKQARTL-BXUZGUMPSA-N 315.369 3.063 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)NCc1ccc2sccc2c1 1298867731 RJCGSBGTMDFFEK-UHFFFAOYSA-N 313.378 3.171 10 10 DGCE Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)c1ccccc1O 1648889632 FVKHAEFFMDXKIN-LLVKDONJSA-N 300.314 3.100 10 10 DGCE O=C(NCc1cccc(Cl)c1O)c1cc(O)ccc1Cl 1647829947 APVLDWWLLITQBN-UHFFFAOYSA-N 312.152 3.335 10 10 DGCE CCN[C@@H]1C(=O)Nc2cc(N3CC[C@H](CC)C3)c(Cl)cc21 160379290 WNGZKENLXFSVNR-BONVTDFDSA-N 307.825 3.179 10 10 DGCE CCN(CC)c1ccc(CNCC(=O)OC2CCCCC2)cc1 1857871976 QKHGLELIHGFGIJ-UHFFFAOYSA-N 318.461 3.498 10 10 DGCE CC(C)(C)OC(=O)NCCCNCc1ccc(Cl)cc1O 1928565807 KNYCZDFKOAXKIR-UHFFFAOYSA-N 314.813 3.050 10 10 DGCE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1[C@H](N)c1ccccc1O 1930750748 YAPXAJICCRBLQL-DFBGVHRSSA-N 306.406 3.038 10 10 DGCE CC(F)(F)C1CN(c2ccc(CO)cc2Br)C1 1946184210 FSHHSYFNWUOXAX-UHFFFAOYSA-N 306.150 3.033 10 10 DGCE CN(CC[C@H]1CCCO1)Cc1cc(Br)ccc1O 1972189266 FNJWEJVSYMDQGC-CYBMUJFWSA-N 314.223 3.156 10 10 DGCE N[C@H]1CCc2cc(N3C[C@H]4C[C@H]3CN4Cc3ccccc3)ccc21 2012708662 HPQIGBWKFNXVNB-DYXWJJEUSA-N 319.452 3.096 10 10 DGCE CO[C@@H](C1CC1)C(F)(F)CNCc1c(O)cccc1Cl 2155495899 UXPRFZDLQCZPMQ-ZDUSSCGKSA-N 305.752 3.196 10 10 DGCE C[C@@H]1O[C@H](C)[C@H](NCc2cccc(Br)c2O)[C@@H]1C 527804331 OMIAIDHWCNXVGA-BSTOTGJRSA-N 314.223 3.056 10 10 DGCE C[C@@H]1COC[C@@H]1N(C)[C@@H](C)c1cc(Br)ccc1O 688180513 VESBBBJLZROKRT-NRUUGDAUSA-N 314.223 3.182 10 10 DGCE CCN[C@H](c1ccc2c(c1)CCN2C)c1ncc(Cl)s1 2164165900 OLYQZWOCXOKVTM-CQSZACIVSA-N 307.850 3.488 10 10 DGCE NCc1ccc(N(CC(F)F)C2CC2)cc1Br 386020434 PMNSVDZLUCBRBA-UHFFFAOYSA-N 305.166 3.142 10 10 DGCE CCc1nn([C@@H](C)c2ccc(C)cc2O)c(Br)c1N 2079137347 MQVDIOIOITXBBI-VIFPVBQESA-N 324.222 3.414 10 10 DGCE COc1ccc(O)c(Cn2nc(C(C)C)c(C3(C)CC3)c2N)c1 2079834706 PJWADRVSNFLEDW-UHFFFAOYSA-N 315.417 3.403 10 10 DGCE Cc1cc(O)c([C@@H](C(C)C)n2nc(C)c(C(=O)O)c2N)cc1C 2079927301 OSHAPUWPMIZOOO-OAHLLOKOSA-N 317.389 3.040 10 10 DGCE CCOC(=O)c1cnc(SC2CCC(C(=O)O)CC2)s1 2182620446 VHJGVGWGOZJJOX-UHFFFAOYSA-N 315.416 3.055 10 10 DGCE CC1(C2CC2)CN(c2cc(Br)c(CN)cc2F)C1 2044960295 DXAJCLFQCIBAFG-UHFFFAOYSA-N 313.214 3.283 10 10 DGCE C[C@@H]1CC[C@@H](CNCc2cccc(Br)c2O)OC1 2053746429 DBNYBKYWBJLWGL-PWSUYJOCSA-N 314.223 3.059 10 10 DGCE CN[C@@H](C)c1sc(N(C)Cc2ccccc2O)nc1Cl 2192593806 KACMDLQSWAVCCU-VIFPVBQESA-N 311.838 3.419 10 10 DGCE Cc1ccc(NCc2ccc(O)cc2O)c(Br)n1 2061202465 CEKDSMQLCMBPPA-UHFFFAOYSA-N 309.163 3.176 10 10 DGCE CCC[C@@H]1C[C@H](NCc2cc(Br)ccc2O)CO1 2065791987 RFEIVRVPMIVVEB-QWHCGFSZSA-N 314.223 3.202 10 10 DGCE NCC[C@H]1CCC[C@H](Nc2c(N)cccc2Br)C1 2071631053 JBNDAGOIIKRMDD-MNOVXSKESA-N 312.255 3.351 10 10 DGCE CN(CC1(Cl)CC1)c1ccc(CN)cc1Br 2212030851 GIIPUBGUZYHQRX-UHFFFAOYSA-N 303.631 3.115 10 10 DGCE CO[C@@H]1C[C@H](C)CN(Cc2c(O)cccc2Br)C1 2085081206 OCWVTTGWBIFDRN-WDEREUQCSA-N 314.223 3.012 10 10 DGCE C[C@H](c1ccc(Cl)cc1O)N1CCC[C@@]12CC[S@@](=O)C2 2203360257 HDHLLGDABCLXGI-LQGCGHSZSA-N 313.850 3.094 10 10 DGCE COc1ccc(Br)c(CNCCC(C)C)c1O 2214865911 CXCRFKDNYPCTEH-UHFFFAOYSA-N 302.212 3.299 10 10 DGCE COc1ccnc(Br)c1NCc1ccc(N)cc1 2219998215 JJPBHBNKXOMBPI-UHFFFAOYSA-N 308.179 3.047 10 10 DGCE CN(c1ccc(C=CC(=O)O)cc1)C1CSCCSC1 2237054391 MJYAGUBQJHKZQV-UHFFFAOYSA-N 309.456 3.069 10 10 DGCE CCCNC1C[C@@H]2CC[C@H](C1)N2Cc1cnc(SC)s1 2284703637 PMEYQTLVVMBGJU-YHWZYXNKSA-N 311.520 3.360 10 10 DGCE C[C@@H](O)c1ccc(N2CCO[C@H](P(C)(C)=O)C2)c(Cl)c1 2289324300 WPTYZJRNPCSSQE-QMTHXVAHSA-N 317.753 3.179 10 10 DGCE Oc1cc(Br)ccc1CN[C@H]1C[C@@H]2C[C@H]1[C@H]1C[C@@H]21 2309575465 QHHGYQIBANYJQZ-YGTGSIHKSA-N 308.219 3.289 10 10 DGCE Cc1ccsc1/C=C1/SC(N2C[C@H](C)O[C@@H](C)C2)=NC1=O 4351779 CXSCXXJSWFBCQD-GLCWRKQJSA-N 322.455 3.136 10 10 DGCE CN(C1=NC(=O)/C(=C\c2ccccc2)S1)c1ccc(O)cc1 4468445 CVJQOOGDQQQDIE-RVDMUPIBSA-N 310.378 3.499 10 10 DGCE C[C@H](C(=O)Nc1ccc(N)cc1)[S@@](=O)c1ccccc1Cl 40961748 YODIXBIBVYHIGU-UZJPJQLHSA-N 322.817 3.057 10 10 DGCE C[C@H](c1ccccc1O)N(C)S(=O)(=O)CC1CCCCC1 49043892 NCNADVNFDOSIQZ-CYBMUJFWSA-N 311.447 3.295 10 10 DGCE c1ccc2c(c1)CCN(c1ccc(CN3CCOCC3)cc1)C2 71702303 VITUHJJVJFHRDQ-UHFFFAOYSA-N 308.425 3.082 10 10 DGCE Oc1ccc2ccccc2c1CNC[C@@H]1COc2ccccc2O1 76273153 RCDRGCQPZXZRKL-OAHLLOKOSA-N 321.376 3.475 10 10 DGCE CCOc1ccc(N2CC[C@@H](CNCCCOC(C)C)C2)cc1 76365080 NXJBCXYVRXSFAW-KRWDZBQOSA-N 320.477 3.316 10 10 DGCE CCOC(=O)[C@]1(NC(C)C)CC[C@@H](Sc2nccs2)C1 93851775 BGYUQFCBFGWCGD-RISCZKNCSA-N 314.476 3.088 10 10 DGCE CN(Cc1csc(N(C)C2CC2)n1)Cc1ccccc1O 137277956 PUNUSDBPAVCIGQ-UHFFFAOYSA-N 303.431 3.079 10 10 DGCE C[C@@H](CC(=O)O)[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 155911897 JJUQBALYHSXTCL-NWDGAFQWSA-N 311.809 3.368 10 10 DGCE CN(Cc1nc2c(s1)CCCC2)Cc1cc(F)ccc1O 180139093 GLILCYJQLFAICU-UHFFFAOYSA-N 306.406 3.499 10 10 DGCE COCc1ccsc1C(=O)NCc1ccc(N(C)C)c(F)c1 181152854 GYQVHSXXIAMDRR-UHFFFAOYSA-N 322.405 3.030 10 10 DGCE Cc1ccc([C@H](C)N[C@@H](C)c2nnc3n2CCCC3)c(O)c1 185585995 QNYXEPHTUWMHQO-STQMWFEESA-N 300.406 3.040 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@H]1CCN2CCC[C@@H]12 217752062 QHYOYUDJKMDPJK-STQMWFEESA-N 301.217 3.025 10 10 DGCE CC(C)(C)[C@H](CCO)NCc1cccc(Br)c1O 231074931 DNTZYQXNALZYPU-LBPRGKRZSA-N 316.239 3.041 10 10 DGCE COc1ccc(CNc2cccnc2Br)c(O)c1 234949190 MVGFVJHAEGJEOM-UHFFFAOYSA-N 309.163 3.170 10 10 DGCE C[C@H](N)c1ccc(N(C)CCCCCO)cc1Br 235489353 KCIRJEVBJDXPNC-NSHDSACASA-N 315.255 3.068 10 10 DGCE Oc1c([C@H]2CCN2)cc(Br)c(F)c1Br 238709189 RDZRTCCHLMMJBZ-ZCFIWIBFSA-N 324.975 3.091 10 10 DGCE CC[C@@H]1COCCN1[C@H](C)c1cc(Br)ccc1O 251624507 FDYSIGABWQEQEJ-ZYHUDNBSSA-N 314.223 3.327 10 10 DGCE Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)Cc2ccc(N)cc2)cc1 262628121 LWTCIWKOWQYBDG-ICSRJNTNSA-N 324.424 3.156 10 10 DGCE Cc1ccc(O)c(CN2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1 271255739 FZBXUXOYATZZOW-AWEZNQCLSA-N 312.417 3.076 10 10 DGCE CC[C@H](NC[C@H](O)c1ccccc1OC)c1ccc(C)cc1O 280156503 QMRQNQCGVABOJD-WMZOPIPTSA-N 315.413 3.484 10 10 DGCE CO[C@]1(C)CCN(c2ccc([C@@H](C)N)cc2Br)C1 310916368 RQJYCCFGZDGQMB-QMTHXVAHSA-N 313.239 3.084 10 10 DGCE Oc1cccc2c1[C@@H](NCc1cnn(Cc3ccccc3)c1)CC2 390409094 DWBWNGGWGJGWSN-SFHVURJKSA-N 319.408 3.414 10 10 DGCE O=C(/C=C/c1cnccn1)N(Cc1ccccc1)c1ccccn1 491186972 QPQZVNFDVGHHOT-MDZDMXLPSA-N 316.364 3.118 10 10 DGCE C[C@@H](NCc1ccncc1Br)c1c(O)cccc1O 686562242 YEPZDZYKLWBPLF-SECBINFHSA-N 323.190 3.106 10 10 DGCE CCCc1cccc([C@@H](CC(=O)O)NC(=O)OC(C)(C)C)c1O 687737266 WBDNRXLJQABEKV-CYBMUJFWSA-N 323.389 3.385 10 10 DGCE Cc1cccnc1CCNCc1ccc(Br)cc1O 691424273 AIYNEDLRUXJLTF-UHFFFAOYSA-N 321.218 3.190 10 10 DGCE O=C(NCc1ccccc1O)c1ccc(-n2cccc2)c(F)c1 729529691 CFHCSSGCCPBTMJ-UHFFFAOYSA-N 310.328 3.252 10 10 DGCE FC(F)Oc1ccc(N2CCC[C@H](Nc3cccnn3)C2)cc1 742423117 CBKSKKYKQYCDAU-LBPRGKRZSA-N 320.343 3.159 10 10 DGCE COc1cccc([C@@H](C)OC(=O)/C=C/c2ccc(O)c(O)c2)c1 784285804 DSHXJAMGVRABTD-YPUOHESYSA-N 314.337 3.424 10 10 DGCE Cc1cc(C(=O)NCc2cc(Br)ccc2O)c(C)[nH]1 804738939 KCPQHTURXAVSFF-UHFFFAOYSA-N 323.190 3.030 10 10 DGCE Cc1cc(C(=O)N2CC[C@H]2C(F)(F)F)c(C)n1-c1ccccn1 820024055 SMFZUMBGGOHWPQ-ZDUSSCGKSA-N 323.318 3.266 10 10 DGCE Cc1cc(O)c(CN2CC[C@@H](Oc3ccncc3)C2)c(Cl)c1 840940593 HNXJQVJDRYXMLF-CQSZACIVSA-N 318.804 3.402 10 10 DGCE Cc1cc(O)c(CN2CCC[C@@H](c3nccn3C)C2)c(Cl)c1 840940931 NUNBQKYRDVURKR-CYBMUJFWSA-N 319.836 3.467 10 10 DGCE Cc1cc(O)c(CN2CCC[C@@H]([C@H]3CCNC3)C2)c(Cl)c1 843125078 MZGDMNLHJRNFMB-UONOGXRCSA-N 308.853 3.176 10 10 DGCE CCOc1ccc(CN[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]32)c(O)c1 850409753 ZXNLGRYLDVXFFD-YTQUADARSA-N 313.372 3.358 10 10 DGCE CC[C@H](N[C@H](CO)[C@@H]1CCC[C@@H](OC)C1)c1ccc(C)cc1O 850501812 POIIIHFHXCFGCK-XYVMCAHJSA-N 321.461 3.307 10 10 DGCE COc1ccc(CNC(=O)N[C@@H](C)C2CCC(F)CC2)c(O)c1 852630289 BMUOLJKPUXHROJ-DCBWTQNWSA-N 324.396 3.117 10 10 DGCE COc1ccc(N2CC[C@H](Nc3nc(C(C)C)ns3)C2)cc1 853759095 PAXOVRWHTRUXGE-LBPRGKRZSA-N 318.446 3.361 10 10 DGCE CC(C)[C@H](N)CCN[C@H](C)c1ccc(Br)cc1O 854230476 RCDPHFFDPAVBGR-ZWNOBZJWSA-N 315.255 3.179 10 10 DGCE CCC(F)(F)C(C)(C)CNC(=O)NCc1ccccc1O 858818500 LEVFLKDLIDDHKH-UHFFFAOYSA-N 300.349 3.263 10 10 DGCE COc1ccc(N2CCCN(C[C@@]3(C)CCCS3)CC2)cc1 862231793 MPZDCGLVVBHEEZ-GOSISDBHSA-N 320.502 3.493 10 10 DGCE COc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1OC1CC1 864355796 KPHKEPYRDZUVOE-MDWZMJQESA-N 321.423 3.067 10 10 DGCE CN(C)c1cc(F)c(CNCC[C@@H]2CCSC2)cc1F 865651576 XCNYJURDRCDDBH-LLVKDONJSA-N 300.418 3.264 10 10 DGCE CCOCCCCCC(=O)N1CCOc2cc(N(C)C)ccc21 866207831 RBLFHTWVIMOECT-UHFFFAOYSA-N 320.433 3.075 10 10 DGCE CC(C)(C)c1csc(C(=O)N2Cc3cccc(O)c3C2)n1 871199231 OFNYEVNXGGTVGR-UHFFFAOYSA-N 302.399 3.302 10 10 DGCE COc1cc(Cl)cc(CNC2CCC3(CC2)COC3)c1O 895694726 JESYWPMNOVOAAE-UHFFFAOYSA-N 311.809 3.103 10 10 DGCE CC1CCN(c2ccc(CN[C@@H](C)[C@H]3[C@H]4CN[C@H]3C4)cc2)CC1 925556949 NBCRDFADNFROMK-RKOGWWSCSA-N 313.489 3.009 10 10 DGCE O=C(CCc1cccs1)NCc1ccc2cccnc2c1O 1162607300 MYYLKFGJRLLFBW-UHFFFAOYSA-N 312.394 3.251 10 10 DGCE CC(C)(C)c1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cn1 1304631547 FAHVCETYGGDLPG-WEVVVXLNSA-N 312.369 3.442 10 10 DGCE Cc1ccsc1CNC(=O)c1ccc(N=NC(N)=O)cc1 1583677325 ZGKIFTYNBJAJGV-UHFFFAOYSA-N 302.359 3.149 10 10 DGCE Cc1nc(-c2ccc(C)c(NC(=O)c3cc(O)cs3)c2)n[nH]1 1621533378 KVUXZQSWEGMLNQ-UHFFFAOYSA-N 314.370 3.108 10 10 DGCE Cc1ccc(O)c(CNC(=O)N[C@H](C)[C@]23CCCC[C@@H]2C3)c1 1637638437 JJLFBJNZPIYTOE-DDUZABMNSA-N 302.418 3.469 10 10 DGCE C[C@H](Oc1ccc(F)c(F)c1)C(=O)N[C@@H](C)c1ccccc1O 1642830991 NNETYRORSJLSNZ-QWRGUYRKSA-N 321.323 3.315 10 10 DGCE COC(=O)c1cnc(Sc2ccc(C(F)(F)F)cn2)s1 1655509690 ROJWORAQDOCFHZ-UHFFFAOYSA-N 320.317 3.495 10 10 DGCE C[C@@]1(C(F)(F)F)CN(Cc2ccc(Cl)cc2O)CCO1 1665493633 HVMKZVQUTZREGJ-LBPRGKRZSA-N 309.715 3.199 10 10 DGCE COc1ccc(CNCCC[C@@H](C)NC(=O)C2(C)CC2)cc1C 1675903708 ODNSXEBYWHJDCQ-OAHLLOKOSA-N 318.461 3.178 10 10 DGCE C[C@H]1C[C@@H]1n1c(N(C)Cc2ccccc2O)nnc1C(C)(C)C 1726494327 FBJMEOGFGYCDOQ-JSGCOSHPSA-N 314.433 3.499 10 10 DGCE NC(=O)C1CCN(/N=N/c2cc(Cl)ccc2Cl)CC1 1860491804 UMTHUEGEXORLBJ-WUKNDPDISA-N 301.177 3.189 10 10 DGCE CCOC(=O)[C@@](C)(NCCN=[N+]=[N-])c1ccc(Cl)s1 1912166924 DMKRACJGTPAPGX-NSHDSACASA-N 302.787 3.080 10 10 DGCE Cc1cccc([C@@H](O)[C@H](N)c2ccccc2O)c1Br 1927233032 URJAPUZUDMCKDI-HUUCEWRRSA-N 322.202 3.197 10 10 DGCE CN[C@H](c1ccccc1O)[C@@H](C)CCNC(=O)OC(C)(C)C 1928464257 DBZFXQBIRBOUAU-WFASDCNBSA-N 308.422 3.204 10 10 DGCE COc1cccc([C@H](CO)N=[N+]=[N-])c1NC(=O)OC(C)(C)C 1951354555 MMXCYCITISIKFW-JTQLQIEISA-N 308.338 3.386 10 10 DGCE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(c2ccc(N)cc2)C1 1959573972 ZYFXDDZHIIVLKQ-TZMCWYRMSA-N 305.422 3.008 10 10 DGCE CN(C(=O)OC(C)(C)C)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN=[N+]=[N-] 1962303713 IVOQGFCJOBXOSK-ITGUQSILSA-N 309.414 3.159 10 10 DGCE CC(C)(C)OC(=O)N1CCCC[C@H]2[C@H]1[C@@H]2Nc1ccc(N)cc1 1977666434 MIRMRCNYERGCLB-OAGGEKHMSA-N 317.433 3.469 10 10 DGCE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1Cc1ccc(N)cc1 1977927072 SUGWTKHYHWWMLO-BBRMVZONSA-N 319.449 3.146 10 10 DGCE C[C@H]1CCCN(c2ccc(N)cc2)[C@H]1CNC(=O)OC(C)(C)C 1977978061 HPINSQRQTCCNDV-BBRMVZONSA-N 319.449 3.398 10 10 DGCE CC(C)(O)CN(Cc1ccccc1)c1ccc2c(c1)CC[C@H]2O 1986602189 BURJPKCGUDVDKS-LJQANCHMSA-N 311.425 3.444 10 10 DGCE C[Si]1(C)CCN(c2ccc(CN)c(Br)c2)CC1 2012636061 GPHHDEILOCHELT-UHFFFAOYSA-N 313.315 3.436 10 10 DGCE CN(C[C@@H]1[C@H]2CCC[C@H]21)c1ccc(CN)c(Br)c1 2032802736 XORUORPAZJPTSG-WDNDVIMCSA-N 309.251 3.390 10 10 DGCE CO[C@H]1CCCN(Cc2ccc(Br)cc2O)[C@H]1C 2037811581 HWYMMJJOQMYJMX-HZMBPMFUSA-N 314.223 3.154 10 10 DGCE Oc1c(Br)cccc1CN[C@@H]1[C@H]2CCC(F)(F)[C@H]21 2051228776 FJGDMCJLXFGDGQ-JMJZKYOTSA-N 318.161 3.288 10 10 DGCE COC(=O)c1cc(CC(C)C)nn1[C@H](C)c1c(O)cccc1F 2070005070 JQAISPQFNIKGLF-LLVKDONJSA-N 320.364 3.322 10 10 DGCE CNCc1ccc(N(C)C[C@@]2(F)C[C@H]2C)c(Br)c1 2085441475 YFDDCZUTKSRQDY-YGRLFVJLSA-N 315.230 3.353 10 10 DGCE C[C@H](N)c1ccc(N2CC3(CC=CCO3)C2)c(Br)c1 2094984577 FOIUSIRKSPIZHB-NSHDSACASA-N 323.234 3.004 10 10 DGCE NCc1cc(F)c(N2CCC3(CC2)CSC3)cc1Cl 2120883303 BXSYFULEMLZGRC-UHFFFAOYSA-N 300.830 3.271 10 10 DGCE NN[C@H](COc1ccc(Cl)cc1Cl)c1ccccc1O 2152425858 WZJJKAOUBDGZHG-GFCCVEGCSA-N 313.184 3.282 10 10 DGCE CC[C@H]1C[C@@H](C(=O)O)N(Cc2cc(Cl)cc(Cl)c2O)C1 2159278990 XFODHNUWIZATRD-UFBFGSQYSA-N 318.200 3.384 10 10 DGCE COCCNCc1ccc(N(C)[C@H](C)C(F)F)c(Cl)c1 2178791233 MOTOZCWXWVMUKB-SNVBAGLBSA-N 306.784 3.166 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN(C(=O)c2csc(C(F)F)n2)C1 2188740954 RQWLTDVRRAXBCJ-ZETCQYMHSA-N 301.322 3.243 10 10 DGCE C[C@@H](c1ccc(Cl)cc1O)N1CCO[C@H](C(F)(F)F)C1 2203362614 OGUCMTJZOZGWNJ-UFBFGSQYSA-N 309.715 3.370 10 10 DGCE CNCc1cc(OC)ccc1N1CCC(Cl)=C(Cl)C1 2227676541 BREXHAFHLRRWNN-UHFFFAOYSA-N 301.217 3.314 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)c2c(Cl)cncc2Cl)C1 2227696214 MRZUFLWMCRWBRT-SSDOTTSWSA-N 300.149 3.303 10 10 DGCE CCC[C@@H]1CN=C(NCc2cnc(SC)s2)SC1 2257025677 GVUZPTPRGOHGIH-SECBINFHSA-N 301.506 3.474 10 10 DGCE COc1cc(Cl)c([C@H](NCCN=[N+]=[N-])C(=O)O)cc1Cl 2281586075 CDAQNNPYKDHYFJ-JTQLQIEISA-N 319.148 3.028 10 10 DGCE [N-]=[N+]=NCCCN[C@H](C(=O)O)c1cc(Cl)c(O)c(Cl)c1 2296258156 SOEKBSUJIKWGQP-VIFPVBQESA-N 319.148 3.115 10 10 DGCE O=C1N=C(N2CCCCC2)SC1=Cc1cccnc1Cl 2297436957 INZXVQPNWIINLK-UHFFFAOYSA-N 307.806 3.191 10 10 DGCE Cc1ccc(CN2C[C@H](C)[C@H](F)C2)c(O)c1Br 2307568195 BUCAWBKSULJNMC-GXSJLCMTSA-N 302.187 3.253 10 10 DGCE CCOCC(C)(C)NCc1ccc(C)c(Br)c1O 2327628808 LDNBGWQSYLSRAA-UHFFFAOYSA-N 316.239 3.368 10 10 DGCE C[C@H](N)c1ccc(N2Cc3cccnc3C2)c(Br)c1 2336975124 UJLXABRBHQGWAZ-JTQLQIEISA-N 318.218 3.384 10 10 DGCE COc1ccc(NCc2ccc(C)c(Br)c2O)cn1 2352683399 HMQJZPDPPVRGRT-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE CC(C)[C@H]1CN(c2ccc(OC(F)(F)F)cc2)[C@@H](C)CN1 86151594 BXOMLGRXNOUEGD-SMDDNHRTSA-N 302.340 3.408 10 10 DGCE COc1ccc(CN2CCC[C@H]2C[C@H](O)c2ccco2)c(O)c1 91959097 ZYOKCDPASXAVGN-YOEHRIQHSA-N 317.385 3.082 10 10 DGCE O=C(O)[C@]1(NC2CC2)CCC[C@@H]1CCSc1nccs1 93629939 JJAFIHWTNUXHRH-YGRLFVJLSA-N 312.460 3.001 10 10 DGCE CCOc1ccc(O)c(CNC[C@](C)(O)C2CCCCC2)c1 191672627 KVQRZBFLTZRQBW-SFHVURJKSA-N 307.434 3.212 10 10 DGCE c1cc(CNCc2ccc3c(c2)CCO3)c2c(c1)OCCCO2 236581420 IQHKTAQPVPFKLR-UHFFFAOYSA-N 311.381 3.073 10 10 DGCE C[C@@H](Cn1cncn1)N[C@@H](C)c1ccc(Cl)c(Cl)c1O 273551128 FXRMHHNTEPEYLW-IUCAKERBSA-N 315.204 3.030 10 10 DGCE C[C@H](NC1CCC(C(N)=O)CC1)c1ccc2ccccc2c1O 319659698 BRJZDADRIJCRED-GRTSSRMGSA-N 312.413 3.240 10 10 DGCE CNCc1ccc(N2C[C@H]3C[C@H]2CS3)c(C(F)(F)F)c1 322031267 XCUBAUBUQZUTFZ-WDEREUQCSA-N 302.365 3.119 10 10 DGCE C[C@H](N[C@H](C)CN(C)Cc1ccccc1)c1cc(O)ccc1O 381015876 UQTZCBFOHNTJIQ-CABCVRRESA-N 314.429 3.269 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)c2nc(Cl)ccc2Cl)C1 701323224 PLRMBJSMJIIOLR-SSDOTTSWSA-N 300.149 3.303 10 10 DGCE C[C@H](CNCc1ccc(F)c(F)c1O)N(C)Cc1ccccc1 703295706 MNUILGKHCNPPFV-CYBMUJFWSA-N 320.383 3.281 10 10 DGCE CN1CC[C@@H]2CC[C@H](C1)N2Cc1cc(Cl)cc(Cl)c1O 718893709 YRIDGIMUYPYEHX-QWHCGFSZSA-N 315.244 3.368 10 10 DGCE Oc1ccc(Cl)cc1CNC[C@@H]1CC[C@H](C(F)(F)F)O1 722405709 ZXYOZJRKNQMKHN-CMPLNLGQSA-N 309.715 3.245 10 10 DGCE C[C@@H]1CCN(Cc2c(O)ccc3ccncc23)C[C@H]1n1ccnc1 759156662 HJDKUIGLUGDTQF-RDTXWAMCSA-N 322.412 3.220 10 10 DGCE CN(C)c1ccc(CN2CC[C@@H](C(C)(C)C)[C@@H](O)C2)cc1F 779432107 KOWPMHVDHRIWMS-PBHICJAKSA-N 308.441 3.121 10 10 DGCE CN(C)c1ccc(CNC(=O)NCC(C)(C)C(F)(F)F)cc1 800904100 BSVSGNDFJWLDKR-UHFFFAOYSA-N 317.355 3.140 10 10 DGCE Oc1ccc(Br)cc1CNc1ncc(Cl)cn1 804828094 ZVABIPQJLNXALT-UHFFFAOYSA-N 314.570 3.210 10 10 DGCE Cc1cc(C)c([C@@H](C)NC[C@H]2COc3ccccc3O2)c(O)c1 815553892 MQJJTCRALZYAJX-CABCVRRESA-N 313.397 3.500 10 10 DGCE C[C@H](N[C@@H]1CCNC[C@H]1C)c1ccc(N2CCCCC2)c(F)c1 817970768 DQZWUQGHIMECKJ-RVKKMQEKSA-N 319.468 3.465 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)Cc1csc(C(C)(C)O)n1 825148070 PIVTUBDQTXSNSG-UHFFFAOYSA-N 319.474 3.069 10 10 DGCE CN(C)c1ccc(/C=C/CN2C[C@]3(CCCO3)[C@@H]2C2CC2)cc1 835055876 OQPWUWCUJFEKFV-NFICYJJRSA-N 312.457 3.409 10 10 DGCE COc1cc(C)cc(CN2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1O 840113632 FRTHIOFOSXFAQI-ZACQAIPSSA-N 319.445 3.225 10 10 DGCE Cc1cc(O)c(CNC[C@H](O)Cc2ccccc2)c(Cl)c1 840891642 JMVZDWGFTZZBND-CQSZACIVSA-N 305.805 3.047 10 10 DGCE OC[C@@H]1CCCN(Cc2cccc(Cl)c2O)[C@@H]1C(F)(F)F 843412973 CMGZCCGJBLGZTR-GWCFXTLKSA-N 323.742 3.181 10 10 DGCE COc1ccc2c(c1)CCCN2C(=O)/C(C)=C\c1cccnc1 846792060 HXYDTQYSMGRBKN-KAMYIIQDSA-N 308.381 3.473 10 10 DGCE CC(C)[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CC1 852649307 GZQMAQIHKBGKDP-QGZVFWFLSA-N 303.450 3.329 10 10 DGCE CC[C@@H](Cn1cncn1)NCc1cc(C)n(-c2ccccc2)c1C 858541520 BCKQKCPRMGMGTA-SFHVURJKSA-N 323.444 3.254 10 10 DGCE CC(C)[C@@H]1OCCC[C@H]1CNC(=O)N[C@@H](C)c1ccccc1O 868343116 MGXSZSTYAIBCRV-ZQIUZPCESA-N 320.433 3.204 10 10 DGCE CC[C@H](NCCC[C@@H]1CCOC1=O)c1ccc(N(C)C)cc1 872115556 IFLDHWGUXKLVCV-WBVHZDCISA-N 304.434 3.137 10 10 DGCE CC(C)C(=O)[C@@H](NC(=O)c1cc(O)cs1)c1ccccc1 926894242 MBQORWIGCHHAIZ-AWEZNQCLSA-N 303.383 3.150 10 10 DGCE C[C@H](NCC[C@H](N(C)C)C(F)(F)F)c1ccc(F)cc1O 926966481 ZXYQHCJTUFVALL-ZANVPECISA-N 308.319 3.065 10 10 DGCE C[C@@H]1CC(F)(F)CCN1Cc1ccc(N2CCOCC2)cc1 931256369 XUJNONVFVOQBOR-CQSZACIVSA-N 310.388 3.143 10 10 DGCE COc1cc(NC(=O)c2cc(O)cs2)ccc1OC(F)F 1167413971 NZNKRGLARHWRKG-UHFFFAOYSA-N 315.297 3.316 10 10 DGCE CN(C)c1ccc(CN2C[C@@H]3C[C@H]2CN3Cc2ccccc2)cc1 1203934007 JHGUXWSMYOIUFX-SFTDATJTSA-N 321.468 3.211 10 10 DGCE CCOC(=O)C1=CC[C@H](N[C@@H]2C[C@@H](C)c3c(C)ccc(O)c32)C1 1261790751 UEPALRBXGMRBHA-VHDGCEQUSA-N 315.413 3.490 10 10 DGCE O=[N+]([O-])c1cc(Cl)cc(CNC2C[C@@H]3[C@@H](C2)C3(F)F)c1O 1347355401 DFLNJURSLYAMDU-NXEZZACHSA-N 318.707 3.087 10 10 DGCE COc1ccc(CNC(=O)c2nc3ccccc3cc2C)c(O)c1 1467470241 ILYPTYPABGMLQZ-UHFFFAOYSA-N 322.364 3.187 10 10 DGCE C[C@H]1CN(Cc2ccc(Cl)cc2O)C[C@@](C)(C(F)F)O1 1560938365 CLYPNVZPGQAPQU-XPTSAGLGSA-N 305.752 3.290 10 10 DGCE O=C(NCc1cccc(Cl)c1O)NC[C@@H]1CCCC12CC2 1565166094 IASHHPMASVQABI-LBPRGKRZSA-N 308.809 3.425 10 10 DGCE CCc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)c(O)c1 1625377223 OIHOUMAXGDZSEF-UHFFFAOYSA-N 324.424 3.485 10 10 DGCE C[C@@H](CCO)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 1655157112 OXSTXGTXWJETGB-LBPRGKRZSA-N 314.341 3.009 10 10 DGCE CCCCN(CC)C(=O)CNCc1ccc(N(CC)CC)cc1 1857866233 AGNMWFQSUDIEHJ-UHFFFAOYSA-N 319.493 3.271 10 10 DGCE CCCC1=NN(C)C(=O)/C1=C/c1ccc(OCC)c(OC)c1 1865669218 HVADFZZQMUILMX-JLHYYAGUSA-N 302.374 3.105 10 10 DGCE CC1=NN(Cc2ccccc2F)C(=O)/C1=C/c1ccccc1O 1865677345 FCAHGISPEGVPTH-XNTDXEJSSA-N 310.328 3.333 10 10 DGCE CN(Cc1ccccc1O)c1c(Br)cccc1CN 1877525113 PWJRDQLWTOVIAL-UHFFFAOYSA-N 321.218 3.250 10 10 DGCE CN[C@H]1CN(c2ccc(OCc3ccccc3)cc2)CC12CC2 1899884776 KPUZEFCOXVMLTC-IBGZPJMESA-N 308.425 3.454 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[C@H](N)c1ccccc1O 1936983732 RYYWYCQYSYPPKE-WWGRRREGSA-N 320.433 3.285 10 10 DGCE c1ccc(CO[C@H]2CC[C@H]2NCc2ccc3c(c2)CCO3)cc1 1939571203 QMHWDBSZKNFZLD-QUCCMNQESA-N 309.409 3.459 10 10 DGCE C[C@@H](NCc1c(O)cccc1Br)[C@H]1CC1(F)F 1942438627 HISOGCNPWJUTOF-VXNVDRBHSA-N 306.150 3.288 10 10 DGCE OCc1ccc(N2CCCC[C@H](F)C2)cc1Br 1946903708 KKMITENQLGQAPQ-NSHDSACASA-N 302.187 3.270 10 10 DGCE CC(C)(C)OC(=O)Nc1ccc([C@H]2CSCCN2)c(O)c1 1952844731 KMRLPPFGIOPCDU-GFCCVEGCSA-N 310.419 3.117 10 10 DGCE CC(C)(C)OC(=O)NC[C@]1(Cc2ccc(N)cc2)CC1(F)F 1952912751 FIABYCKXKJOEBG-HNNXBMFYSA-N 312.360 3.361 10 10 DGCE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CCN1c1ccc(N)cc1 1959561458 XWXIBMXYAJMYJS-QWHCGFSZSA-N 305.422 3.103 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@]2(CCCN2CCCN=[N+]=[N-])C1 1962288674 ZWKGPDCJXZDMAM-HNNXBMFYSA-N 309.414 3.162 10 10 DGCE CC(C)(C)OC(=O)NCCC[C@@H]1CCCCN1CCN=[N+]=[N-] 1962306360 YZXVOSVNIRJILB-ZDUSSCGKSA-N 311.430 3.456 10 10 DGCE Oc1c(Cl)cccc1CN[C@H]1CCCC2(CC1)OCCO2 1967790042 FWZXDHIXHYZIJI-ZDUSSCGKSA-N 311.809 3.211 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@]2(CCCN2c2ccc(N)cc2)C1 1977968555 RFJKYHNWEWAWGJ-GOSISDBHSA-N 317.433 3.249 10 10 DGCE CN(Cc1ccccc1)[C@@H]1CCN(c2ccc3c(c2)CC[C@@H]3O)C1 2012704679 FFJOEECDBJVBGK-CTNGQTDRSA-N 322.452 3.377 10 10 DGCE CC[C@H](O)CN(CC)c1ccc([C@@H](C)N)cc1Br 2044554656 OLBOGILWTGOPSV-PWSUYJOCSA-N 315.255 3.066 10 10 DGCE COC(=O)c1cc(C(C)C)nn1[C@@H](C)c1cc(C)ccc1O 2069953057 LWTWOZXXANUPAR-LBPRGKRZSA-N 302.374 3.416 10 10 DGCE NCc1cc(-c2ccccc2)nn1Cc1ccc(Cl)cc1O 2070125494 RORXAMRYZHYYSY-UHFFFAOYSA-N 313.788 3.416 10 10 DGCE C[C@H]1CN(c2ccc(CO)c(Br)c2)CCC1(F)F 2085357773 FABOIPHZFORQQS-VIFPVBQESA-N 320.177 3.423 10 10 DGCE COC[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@H]1C 2118641882 ZJQRHWOWLUBOHX-KOLCDFICSA-N 304.217 3.413 10 10 DGCE C[C@@H](O)c1ccc(N2CC3(CSC3)C2)cc1C(F)(F)F 2146375084 IRLANEGHGXJTKL-SECBINFHSA-N 303.349 3.312 10 10 DGCE CN[C@@H](C)c1ccc(N2CCOC[C@H]2C(F)F)c(Cl)c1 2175653314 HTTOWQOMHQQSMM-ZANVPECISA-N 304.768 3.091 10 10 DGCE CN(Cc1ccc(F)c(F)c1O)C[C@](C)(F)C(F)(F)F 2191875275 QVYZCDWZZXSYNO-NSHDSACASA-N 301.230 3.393 10 10 DGCE CO[C@@H](C)c1nc(CNCc2cnc(SC)s2)cs1 2208641944 GHHKIIZQNULTEI-QMMMGPOBSA-N 315.489 3.319 10 10 DGCE CSc1ncc(CNCC23CC(C2)[C@@H](C(F)(F)F)O3)s1 2208890375 XFBPDTPZKRZFAG-DMGUCSGOSA-N 324.393 3.065 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@H]1NC(=O)c1cccn1Cc1ccccc1 2210528091 ACIZLVMMCVAUHX-CABCVRRESA-N 309.373 3.498 10 10 DGCE CC[C@H](C)NCc1cnc(S[C@@H]2CCC[C@H](O)C2)s1 2231443289 GKWWAHUJBBENAJ-SDDRHHMPSA-N 300.493 3.427 10 10 DGCE C[C@H]1C[C@H](C)C1NCc1cc(Br)cc(F)c1O 2301209392 BLDJSULCFPUBRW-YUMQZZPRSA-N 302.187 3.428 10 10 DGCE Cc1ccc(CN2C[C@@H](C)[C@H](C)C2=O)c(O)c1Br 2327609359 ZFHADDSQEKOTJR-ZJUUUORDSA-N 312.207 3.078 10 10 DGCE CCOC(=O)[C@@H]1CCCN(N=Nc2cccc(C(C)=O)c2)C1 2330202987 ONJDPROSXBDWSG-CQSZACIVSA-N 303.362 3.163 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCC[C@@H]1[C@@H]1CCCN1 51357047 ROYXPODUVTXNRP-UONOGXRCSA-N 315.244 3.415 10 10 DGCE CCN(C(=O)COc1ccc(Cl)cc1)c1ccc(N)cc1 63114106 UNUHRAZKJMDKQQ-UHFFFAOYSA-N 304.777 3.354 10 10 DGCE CCCN[C@@](C)(C[C@H](C)Sc1nccs1)C(=O)OCC 68639659 GKINSSPCGCXSMA-FZMZJTMJSA-N 316.492 3.335 10 10 DGCE CCO[C@H]1C[C@H](N(C)Cc2ccc(OC)cc2O)C12CCC2 92041142 DGIWGJIDNIXEHY-IRXDYDNUSA-N 305.418 3.180 10 10 DGCE CCCCCC[C@@H](C)NC(=O)CN(C)Cc1ccccc1O 109772471 ZRNXQXLQWLNBFV-OAHLLOKOSA-N 306.450 3.299 10 10 DGCE CCCNCc1ccc(N2C[C@H](C)[C@H](N(C)C)C2)c(Cl)c1 124699425 KZUOZHKXGIEBHN-SUMWQHHRSA-N 309.885 3.226 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)c2cccc(OC)c2F)c1 153918984 VJRROKWRIGOSBE-JTQLQIEISA-N 319.332 3.040 10 10 DGCE CCCN(CCC)c1ccc(CN2CCC[C@@H](C(N)=O)C2)cc1 154989731 BUPMQMQYNUHVIM-QGZVFWFLSA-N 317.477 3.010 10 10 DGCE CN(CC1CCOCC1)c1ccc(/C=C/C(=O)O)cc1Cl 164386858 ASHWPDLBKPRQSH-HWKANZROSA-N 309.793 3.301 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)C(=O)Nc1ccc(N)c(Cl)c1 170245145 CPYGAZMMGUQJKY-SECBINFHSA-N 320.776 3.151 10 10 DGCE COCc1cc(F)ccc1NCc1cc([N+](=O)[O-])ccc1O 185644249 QQZDYPBGHRRPSA-UHFFFAOYSA-N 306.293 3.198 10 10 DGCE CC[C@@H](Nc1cc(-n2cnnn2)ccc1C)c1ccccc1O 192765800 NJPHMJLUPZOZKD-OAHLLOKOSA-N 309.373 3.240 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@@H]2CCO[C@@]3(CCSC3)C2)c1 248516740 OYHOBVWRQLINDC-AHIWAGSCSA-N 323.458 3.106 10 10 DGCE CCO[C@@H]1C[C@@H](N[C@H](C)c2cc(F)ccc2O)C12CCOCC2 248653699 ZFEVIATYQLSQJC-CSMYWGQOSA-N 323.408 3.156 10 10 DGCE CC[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1cccs1 588403934 KUPFJEJYHRFOFA-VFFGBVLKSA-N 303.383 3.440 10 10 DGCE Oc1cccc2c1[C@@H](NCc1ccncc1Br)CC2 686579502 ZGZDWZDKRGKYCB-ZDUSSCGKSA-N 319.202 3.327 10 10 DGCE CC1(C)CC[C@H](CNCc2c(O)cccc2Br)O1 706807768 DZJCXFJMISCMGN-SNVBAGLBSA-N 314.223 3.202 10 10 DGCE NCc1ccc(N2CC[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc1 717434125 ZGZSVGUTZLHSDY-LEWJYISDSA-N 321.468 3.389 10 10 DGCE Cc1cccc(-n2c(C)cc(C(=O)N(C)Cc3cc[nH]n3)c2C)c1 732660786 PPDKQXZHQBUMEL-UHFFFAOYSA-N 322.412 3.398 10 10 DGCE CN1CCCc2cc(CNC(=O)N[C@@H]3C[C@H]4CC[C@H]3C4)ccc21 738992002 XOPWSSSSQIIWJG-JLJPHGGASA-N 313.445 3.057 10 10 DGCE C[C@@H](CN[C@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccncc1 756633237 GUYPLBAMPLLNGJ-NWDGAFQWSA-N 301.346 3.150 10 10 DGCE CCN(CC)CC1CCN(Cc2cc(OC)c(C)cc2O)CC1 768447325 OEVIJUBDTTVNCT-UHFFFAOYSA-N 320.477 3.263 10 10 DGCE CCN(CC)c1ccc(CN2CCO[C@@H](C3CC3)C2)cc1F 777223544 ZEZVAZVDEJAHRZ-GOSISDBHSA-N 306.425 3.283 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)Cc2ccsc2C)c1 787131621 QLQPYSFZJDYSRU-SNVBAGLBSA-N 305.399 3.191 10 10 DGCE Oc1ccccc1CN(C[C@@H](O)CC(F)(F)F)C1CCCC1 787245669 KNPKDDIBLPCYLZ-AWEZNQCLSA-N 317.351 3.450 10 10 DGCE O=C(NCc1cc(Br)ccc1O)c1cccc(F)c1 804738087 BLNWELZPMJTYCJ-UHFFFAOYSA-N 324.149 3.224 10 10 DGCE C[C@@]12CCN(Cc3ccc(N4CCOCC4)cc3)C[C@H]1C2(F)F 814169629 KZRFWRDGUICXDD-IAGOWNOFSA-N 322.399 3.000 10 10 DGCE Oc1ccc(F)cc1CN1CC2(CCOCC2)[C@H]1c1ccco1 827494309 JBCIRQWFNMRDLX-QGZVFWFLSA-N 317.360 3.478 10 10 DGCE Cc1ccn([C@@H](C)CC(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1 832437108 XDEHZOYEBIKRGY-LSDHHAIUSA-N 314.433 3.086 10 10 DGCE C[C@@H](N[C@@H]1COCC1(C)C)c1ccc(Br)cc1O 834905652 VHNIPEKUXCIIJQ-NOZJJQNGSA-N 314.223 3.230 10 10 DGCE COc1ccc(O)c(CNC/C=C/c2ccc(N(C)C)cc2)c1 835040432 PGPINKBEDKMDHT-SNAWJCMRSA-N 312.413 3.270 10 10 DGCE COCc1nc(CNCc2c(O)cc(C)cc2Cl)cs1 840946725 NJRHDQHERQPNBH-UHFFFAOYSA-N 312.822 3.247 10 10 DGCE COc1ccc(N2CCC(NCCC3CC(OC)C3)CC2)cc1 850342426 SNNNDBPKELHSSK-UHFFFAOYSA-N 318.461 3.069 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)NC(C)(C)C(C)C)C2)cc1 854295753 BBXCIFOLSQLWFY-AWEZNQCLSA-N 319.449 3.008 10 10 DGCE CC(C)c1ncc2c(n1)CCN(Cc1ccc(N(C)C)cc1)C2 857878551 IGESFEIIKTYNJA-UHFFFAOYSA-N 310.445 3.224 10 10 DGCE C[C@H](NC(=O)NCCO[C@@H]1CCCC[C@@H]1C)c1ccccc1O 868103151 GDVYCTFSYRNHCN-GRDNDAEWSA-N 320.433 3.348 10 10 DGCE CO[C@@H](CNC(=O)N[C@@H](C)c1ccccc1O)C1CCCCC1 868788805 XVGSFCFWTKRBCW-GUYCJALGSA-N 320.433 3.348 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)C[C@H]1CCC2(CCC2)O1 889010996 HBUOVQCETGEJBA-QGZVFWFLSA-N 316.445 3.169 10 10 DGCE O=C1CCC[C@H](c2cccc(NC(=O)c3cc(O)cs3)c2)N1 899803895 WWSVXPPURBHVCM-CYBMUJFWSA-N 316.382 3.047 10 10 DGCE CCC/C=C\[C@@H](O)C(=O)N(C)Cc1ccc(N(CC)CC)cc1 1135732847 ISSLNFRYGXYAPS-HJCTWCACSA-N 318.461 3.208 10 10 DGCE O=C(c1cc(F)c(O)c(Cl)c1)N1Cc2cccc(O)c2C1 1302788423 VTCJYFNCYAYHFR-UHFFFAOYSA-N 307.708 3.046 10 10 DGCE CCN(C(=O)/C=C/c1cccnc1C)c1ccccc1C(=O)OC 1435117993 FHPLRGHBRXJKLM-VAWYXSNFSA-N 324.380 3.243 10 10 DGCE Cc1cc2ccc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)cn2c1 1447565552 UODZSHKFXDUXSK-ZDUSSCGKSA-N 324.380 3.020 10 10 DGCE Cc1ccc(/C=C/C(=O)NCc2cccc(Cl)c2O)cn1 1606859976 CRCSBUMVMYDFAS-BQYQJAHWSA-N 302.761 3.079 10 10 DGCE CSc1ccc([C@H](C)NC(=O)Cc2ccc(O)c(O)c2)cc1 1634127982 JPFFIPLKVFRTGF-NSHDSACASA-N 317.410 3.240 10 10 DGCE Cc1cncc(CCC(=O)NCc2c(O)ccc3ccccc23)c1 1639387281 JLVFYUCDZRGGOR-UHFFFAOYSA-N 320.392 3.498 10 10 DGCE C[C@@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1O 1642827197 BIYMMHPOVVPOKC-VXGBXAGGSA-N 314.341 3.281 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(N)cc2)[C@@H]2CC[C@@H]21 1895593735 LBZMMRHQOQZMPP-JYJNAYRXSA-N 317.433 3.469 10 10 DGCE O=C(O)C=Cc1ccc(N2C[C@H]3C[C@@H](C2)C3)cc1Br 1899324320 ZNHXSLWKOHUVQL-PHIMTYICSA-N 322.202 3.393 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN(Cc2ncccc2Br)C1 1912150418 SPXVAZLEVBZIIZ-SNVBAGLBSA-N 310.199 3.366 10 10 DGCE CN(CCCN=[N+]=[N-])C(=O)c1ccc(Br)cc1F 1912151481 IEDFZTYCQSMMMT-UHFFFAOYSA-N 315.146 3.361 10 10 DGCE CC[C@@]1(F)CCN(c2ccc(CO)cc2Br)C1 1925566870 RTBNNFQHBUPPIK-CYBMUJFWSA-N 302.187 3.270 10 10 DGCE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H](N)c1ccccc1O 1928475349 WZMPWXJXCIYUKT-HIFRSBDPSA-N 306.406 3.182 10 10 DGCE CN(CCC1CCN(CCN=[N+]=[N-])CC1)C(=O)OC(C)(C)C 1962300449 QQIXVQVZBBUJJJ-UHFFFAOYSA-N 311.430 3.266 10 10 DGCE COc1ccc(Br)c(CNCCC2CC2)c1O 1964041946 IRLKMPDKDQIZHG-UHFFFAOYSA-N 300.196 3.053 10 10 DGCE CC[C@H](NCc1c(Br)ccc(OC)c1O)C(F)F 1964075368 ASAKSJRZEYNFPN-VIFPVBQESA-N 324.165 3.297 10 10 DGCE CP(C)(=O)C1CCN(Cc2ccc(F)c(F)c2O)CC1 1973545113 WMUJSWWAPQNKEK-UHFFFAOYSA-N 303.289 3.258 10 10 DGCE C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2ccc(N)cc2)CC1 1977969773 FKVOSFUFOAOQJU-CYBMUJFWSA-N 319.449 3.398 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1C[C@@](N)(c2ccccc2O)C1(C)C 1981683306 XSRSWJNDZZMGEW-KPZWWZAWSA-N 320.433 3.117 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H](Nc3ccc(N)cc3)C[C@H]21 1993721759 NRFBYXWHYCBWCP-DANNLKNASA-N 317.433 3.373 10 10 DGCE CN(C)c1ccc([C@@H](O)c2nscc2Br)cc1 1999505212 NDINODZFCIGRMN-GFCCVEGCSA-N 313.220 3.053 10 10 DGCE Cc1cccc(CNC(=O)c2cccn2Cc2ccccc2)c1O 2024813108 WBHOWIPRQWFAEE-UHFFFAOYSA-N 320.392 3.480 10 10 DGCE C[C@H]1CN(Cc2cccc(Br)c2O)[C@@H](C)CCO1 2031606618 HVUJCSFMWFTXAH-QWRGUYRKSA-N 314.223 3.154 10 10 DGCE N[C@@H](c1ccccc1O)[C@@H](O)c1cc(Cl)c(Cl)s1 2037473522 UJGFROOOQLNGQM-QWRGUYRKSA-N 304.198 3.494 10 10 DGCE CN(c1cc(Br)c(CN)cc1F)[C@H]1CCC[C@H]1F 2055388289 KUFPVIPZJDCPBS-PWSUYJOCSA-N 319.193 3.374 10 10 DGCE COc1cccc(O)c1[C@@H](C)n1nc(C2CCCC2)cc1N 2070201870 SCFPBNOPVDORLD-LLVKDONJSA-N 301.390 3.446 10 10 DGCE C[C@H](c1cc(Cl)ccc1O)N(C)[C@@H]1COCCC1(F)F 2168228696 XKSYNHGXWSDBHO-NOZJJQNGSA-N 305.752 3.463 10 10 DGCE Cc1oc(Br)cc1C(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-] 2218735733 REUXNIMCNLSITF-IUCAKERBSA-N 313.155 3.312 10 10 DGCE CC(C)(C)OC(=O)N[C@]1(C)CC[C@@]1(C)[C@H](N)c1ccccc1O 2245356733 FONXAYMYNCGPPJ-FHLIZLRMSA-N 320.433 3.476 10 10 DGCE COc1c(C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)csc1Cl 2268929563 DMNBAPGUEZRHTF-SSDOTTSWSA-N 300.771 3.325 10 10 DGCE CO[C@@H]1CC(F)(F)CC[C@@H]1NCc1cnc(SC)s1 2269271631 NEFBACBGQSFOMW-VHSXEESVSA-N 308.419 3.157 10 10 DGCE Cc1ccc(CN2CCCO[C@@H](C)C2)c(O)c1Br 2327567465 JXBZLASUODWTSS-NSHDSACASA-N 314.223 3.074 10 10 DGCE CC(C)=CC(=O)N(C)Cc1ccc(C)c(Br)c1O 2327625150 ALNONVMVQVRMOG-UHFFFAOYSA-N 312.207 3.388 10 10 DGCE CCC1=NN(CC)C(=O)C1=Cc1ccc(Cl)c([N+](=O)[O-])c1 2332134495 DEGFIOLDDZNWRB-UHFFFAOYSA-N 307.737 3.260 10 10 DGCE CC(C)[C@@]12C[C@@H]1C(=O)N(c1c(Cl)cc(N)cc1Cl)C2=O 2365786426 TYIDSBGNHUREKX-CLAHSXSESA-N 313.184 3.111 10 10 DGCE C[C@]12CC[C@@H]3c4cc(O)c(O)c(F)c4CC[C@H]3[C@@H]1CC[C@@H]2O 5764420 FMHAFUXKLBNHPP-ZICKVNAASA-N 306.377 3.454 10 10 DGCE CN[C@H](c1ccc(N(C)C)cc1)c1nc2c(s1)CCCC2 41188324 VRKTZCNSLIIOLC-MRXNPFEDSA-N 301.459 3.397 10 10 DGCE C[C@@H]1CC[C@@H](CN)CN1Cc1cc(Cl)cc(Cl)c1O 70179096 QMHWPCCHMXNRKJ-ZJUUUORDSA-N 303.233 3.258 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCCCSC 77622654 RUXFRUFUKCPTLH-UHFFFAOYSA-N 323.506 3.427 10 10 DGCE COC(=O)[C@](NCCN=[N+]=[N-])(c1ccc(Cl)cc1)C1CC1 90256806 OJKYMAULLDTNDY-CQSZACIVSA-N 308.769 3.018 10 10 DGCE COCCN(Cc1cc(Cl)cc(Cl)c1O)[C@@H](C)COC 133441341 RCEPURYQTHESGB-JTQLQIEISA-N 322.232 3.182 10 10 DGCE CS[C@H](C)CNCc1cc(C)cc(Br)c1O 134751326 VANGLNZXNRGVAX-SECBINFHSA-N 304.253 3.304 10 10 DGCE COc1cc(Br)ccc1C(=O)Nc1ccc(N)cc1 147887810 VAWHJNMTUBRVPA-UHFFFAOYSA-N 321.174 3.292 10 10 DGCE Cc1ccc(O)c([C@H](C)N[C@@H](C)Cc2c(C)nn(C)c2C)c1 185559023 HXIITBYNPZESHZ-STQMWFEESA-N 301.434 3.333 10 10 DGCE Cc1ccc(O)c([C@H](C)Nc2ccc(N3CCOCC3)nc2)c1 192799993 SXTZSNURDSKQHH-AWEZNQCLSA-N 313.401 3.105 10 10 DGCE C[C@H]1CN(c2ccc(CN)cc2Br)C[C@@H](C)S1 212858971 JZMLOSABLXYDTH-AOOOYVTPSA-N 315.280 3.238 10 10 DGCE CCC[C@H](COC)NCc1cc(Br)ccc1O 233353955 SLPQCHWVOLBEGZ-GFCCVEGCSA-N 302.212 3.059 10 10 DGCE C[C@@]1(F)CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 296518185 ZVMXYJNFIDBIPQ-GOSISDBHSA-N 319.424 3.320 10 10 DGCE CN(C)c1ccc(CNC(=O)Nc2cccc(C3CC3)n2)cc1 297090948 VRAKNTHZKZNQSA-UHFFFAOYSA-N 310.401 3.347 10 10 DGCE CNCc1ccc(N(C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 381866834 KINTZPXZIOZEBI-HXUWFJFHSA-N 309.457 3.117 10 10 DGCE O=C(/C=C/c1cnccn1)N1CCc2c1cccc2C(F)(F)F 492599341 XKNFPUCCBSTVSN-SNAWJCMRSA-N 319.286 3.098 10 10 DGCE CC(C)OC[C@@H](O)COc1ccc2c(c1)c1c(n2C)CCCC1 647164260 NOQOGAOINQXHFE-CQSZACIVSA-N 317.429 3.222 10 10 DGCE CN[C@H]1CCCN(c2ccc(OC(F)(F)F)cc2Cl)C1 699650052 KHUMTQRIEZWDNF-VIFPVBQESA-N 308.731 3.427 10 10 DGCE C[C@@]12CN(Cc3ccccc3)C[C@@H]1CN(c1ccc(CO)cc1)C2 702068570 ZONBZEUGKGGLNT-CTNGQTDRSA-N 322.452 3.137 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@@H]3[C@H](C2)C3(F)F)c(Br)c1 715526256 UITKAPCMJJUGDO-QNSHHTMESA-N 318.161 3.204 10 10 DGCE CN(C)CCOc1ccc(N(C)C[C@@H]2CC2(Cl)Cl)cc1 732410673 GGTLVTJWWPTBJD-LBPRGKRZSA-N 317.260 3.257 10 10 DGCE COc1ccccc1NC(=S)NNc1cccc(F)c1F 743005537 TVUFDBSITCARIQ-UHFFFAOYSA-N 309.341 3.287 10 10 DGCE COC(=O)c1ccc(O)c([C@@H](C)N[C@H]2CCCC(F)(F)C2)c1 756764355 HATXSAUPVMBEHE-PWSUYJOCSA-N 313.344 3.407 10 10 DGCE C[C@H](NC(=O)N1CC[C@@H](C)[C@H](F)C1)c1ccc(N(C)C)cc1 773616376 JUYDCYOSXOEWSS-DVOMOZLQSA-N 307.413 3.203 10 10 DGCE COc1ccc(N2CCCN(C[C@H]3CCO[C@@H](C)C3)CC2)cc1 778998073 GXXPZDWEYVEEKX-IRXDYDNUSA-N 318.461 3.022 10 10 DGCE C[C@@H]1Cc2ccccc2[C@H]1NC(=O)/C=C\c1ccc(O)c(O)c1 779518033 VHIIDCLBKTZIFD-YPXWSCPJSA-N 309.365 3.161 10 10 DGCE O=C(NCc1ccccc1O)N[C@H]1Cc2ccc(Cl)cc2C1 800017460 KBEBDOGAWKKBFF-HNNXBMFYSA-N 316.788 3.012 10 10 DGCE FC(F)[C@@H]1CCCCN1Cc1ccc(N2CCOCC2)cc1 800533158 IRKNAKQDIPAAHE-INIZCTEOSA-N 310.388 3.143 10 10 DGCE Cc1cccc(C(=O)NCc2cc(Br)ccc2O)c1 804737596 MMECBAHOFRYGPF-UHFFFAOYSA-N 320.186 3.393 10 10 DGCE Cc1cc(N(C)C)ccc1CNCc1cn(C)nc1C(F)F 812756677 SBWIKYJJALXYST-UHFFFAOYSA-N 308.376 3.022 10 10 DGCE COc1ccc(O)c([C@H](C)Nc2cccc3c2CN(C)C3=O)c1 840856700 JTSDGIJTZAAHGB-NSHDSACASA-N 312.369 3.160 10 10 DGCE Oc1cccc2c1[C@@H](N[C@@H]1CCN(c3ccc(F)cc3)C1)CC2 840899143 ZHXCXVGOKGNZED-WBVHZDCISA-N 312.388 3.387 10 10 DGCE Cc1cc(O)c(CN2C[C@]3(CCCO3)[C@H]2C2CC2)c(Cl)c1 840948961 KEESNJOCOFMNKF-IAGOWNOFSA-N 307.821 3.497 10 10 DGCE Cc1cc(O)c(CNC[C@H](O)Cc2cccc(F)c2)c(Cl)c1 840949431 VZDHRENCMBZFRQ-CQSZACIVSA-N 323.795 3.186 10 10 DGCE Cc1ccc(O)c(CN2CCC[C@@H]2COc2cccnc2C)c1 841897011 SISAHJQKWKGOEL-QGZVFWFLSA-N 312.413 3.447 10 10 DGCE Cc1[nH]nc(C(C)C)c1C(=O)NCc1cc(Cl)ccc1O 846474880 COXQHDYCUHJUAS-UHFFFAOYSA-N 307.781 3.131 10 10 DGCE OC(CNCc1ccc(N2CCCCC2)cc1)(C1CC1)C1CC1 850385846 DSKWRHXYSHXOPS-UHFFFAOYSA-N 314.473 3.318 10 10 DGCE CN(C)[C@@H]1CCc2ccccc2N(C(=O)/C=C/c2cccnc2)C1 857932784 WBBMNSSQPZWQTI-ZPHJMFTNSA-N 321.424 3.004 10 10 DGCE COc1ccc(N2CC[C@H](CN[C@@H](C)[C@@H]3CCCCO3)C2)cc1 858428485 URKCKEAJQOPPEP-FCEWJHQRSA-N 318.461 3.069 10 10 DGCE C[C@H](NC[C@H](n1cccn1)C(F)(F)F)c1ccc(F)cc1O 858449463 MAJBGEIVWIKEMN-ZANVPECISA-N 317.286 3.182 10 10 DGCE C[C@H](NC[C@@H]1c2ccccc2CN1C)c1cc(F)ccc1O 866563055 JGJCBJSPIVCLTA-YVEFUNNKSA-N 300.377 3.369 10 10 DGCE Oc1cccc2c1[C@H](NC[C@@H]1CC[C@H](C(F)(F)F)O1)CC2 903174989 BRECDKGGDNSCQR-DMDPSCGWSA-N 301.308 3.079 10 10 DGCE OC1CCN(c2ccc(CN[C@@H]3C[C@H]4C=C[C@H]3CC4)cc2)CC1 922978105 USHDTCLAQIPLDI-RIFZZMRRSA-N 312.457 3.092 10 10 DGCE COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C/c1sccc1C 1084521339 WVAKWEHTLBAREK-XYOKQWHBSA-N 305.399 3.138 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 1135797914 WINPHICLVGYMON-RBSFLKMASA-N 303.402 3.115 10 10 DGCE C/C(=C/c1ccncc1)C(=O)NCc1ccc2cccnc2c1O 1142731263 QTXPKNYBQXWEQV-QBFSEMIESA-N 319.364 3.055 10 10 DGCE O=C(CSC(F)(F)F)NCc1c(O)ccc2ccccc12 1456307278 ARIAPVQGFRLBRN-UHFFFAOYSA-N 315.316 3.415 10 10 DGCE c1cc2c(cc1CN[C@@H]1CCCN3CCCC[C@@H]13)CCCO2 1461608273 UVJINHDJJFXWNA-MSOLQXFVSA-N 300.446 3.118 10 10 DGCE Cc1c(C(=O)O)cc(C(F)(F)F)n1-c1ccc2c(c1)OCO2 1542990024 LWAVIFDMMJZMSL-UHFFFAOYSA-N 313.231 3.231 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)/C=C\C=C(Cl)Cl)c1 1545684265 QDBIBKGTRACJBF-LVCFMKKZSA-N 316.184 3.453 10 10 DGCE CC[C@@H](NC(=O)c1cc(C)n(-c2ccccc2C)c1C)[C@H](C)O 1556585666 BLBQDQSNPNVVDE-DOTOQJQBSA-N 314.429 3.292 10 10 DGCE Brc1ccc2nnc(Sc3nccs3)n2c1 1559197550 HBNUMIHXFNVMFW-UHFFFAOYSA-N 313.205 3.100 10 10 DGCE C[C@H](NC(=O)[C@@H](C)Oc1ccccc1F)c1ccccc1O 1632250153 LNWORMDUIQYZPY-NWDGAFQWSA-N 303.333 3.176 10 10 DGCE COc1ccc(N(C)CCN(C)C[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1 1643685495 ZSYXFJYSHRDSTP-ZACQAIPSSA-N 302.462 3.499 10 10 DGCE Cc1onc(-c2ccncc2)c1C(=O)N[C@@H](C)c1ccccc1O 1643742251 VVDLXPHUVUAKGK-NSHDSACASA-N 323.352 3.242 10 10 DGCE CCOc1ccccc1/N=N/N1CCN(c2ccccn2)CC1 1860483829 KTRBDRUREUZZNJ-FMQUCBEESA-N 311.389 3.301 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)c2ccc(Cl)nc2Cl)C1 1912152463 UGBZPVSTONQSGV-ZETCQYMHSA-N 300.149 3.161 10 10 DGCE CN(CCCN=[N+]=[N-])C(=O)c1cc(F)cc(Br)c1 1912154882 DNUGJCQUEJXCEI-UHFFFAOYSA-N 315.146 3.361 10 10 DGCE [N-]=[N+]=N[C@@H]1CCN(C(=O)c2ccc(Br)cc2F)C1 1912171081 GHAYBFCTNWVSRN-MRVPVSSYSA-N 313.130 3.113 10 10 DGCE CN(CCN=[N+]=[N-])C(=O)c1ccc(Br)c(Cl)c1 1912184127 CJDBIIZJYDVFNK-UHFFFAOYSA-N 317.574 3.485 10 10 DGCE CO[C@H]1CCN(c2ccc([C@H](C)N)cc2Br)[C@@H]1C 1914271598 IUISRWSGKSDPHM-RBZYPMLTSA-N 313.239 3.082 10 10 DGCE CN(C)c1ccc([C@H]2C[C@H](N)CCN2C(=O)OC(C)(C)C)cc1 1952085118 FCFGAKOXMIJBLA-GDBMZVCRSA-N 319.449 3.152 10 10 DGCE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1Nc1ccc(N)cc1 1959370244 FBARRJKSNCGNBP-DOMZBBRYSA-N 305.422 3.326 10 10 DGCE C[C@H](N[C@@H]1C[C@H]1CNC(=O)OC(C)(C)C)c1cc(F)ccc1O 1973222239 MSTFKGCESSPCNO-COPLHBTASA-N 324.396 3.095 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]([C@@H](N)c2ccccc2O)CC1(C)C 1977520033 SUCKOPGYERNHCS-IUODEOHRSA-N 320.433 3.428 10 10 DGCE CN[C@@H](c1ccc(N(C)C)cc1)[C@@H](C)CNC(=O)OC(C)(C)C 1977946836 YDLQZNFZKJNZOG-XJKSGUPXSA-N 321.465 3.174 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)NCCCOCc1ccccc1 1981602360 DVEFPFLBSLXGEY-HNNXBMFYSA-N 317.393 3.078 10 10 DGCE Cc1cc(CN)ccc1N1C[C@H]2C[C@H]1CN(Cc1ccccc1)C2 1997908933 VXPQGCYAPNOHGX-PMACEKPBSA-N 321.468 3.164 10 10 DGCE C[C@H](O)c1ccc(N2CCOCC[C@H]2C)cc1Br 2031689437 RTWQHFZUMBDSGB-MNOVXSKESA-N 314.223 3.118 10 10 DGCE CO[C@H](CN(C)c1ccc(CO)c(Br)c1)C(C)C 2068170705 XSFMLOWVPYLECT-CQSZACIVSA-N 316.239 3.049 10 10 DGCE Oc1c(Br)cccc1Cn1ncc(C2CCC2)c1O 2070244943 QOJPZUHYKPRYOC-UHFFFAOYSA-N 323.190 3.373 10 10 DGCE CN(c1ccc(CO)c(Br)c1)[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32 2070855592 RZPHCLSVHTWWAA-FASAMLHVSA-N 308.219 3.032 10 10 DGCE CCc1nn([C@H](c2ccc(C)cc2O)C2CCC2)c(N)c1N 2079138606 XKVIMBSEIGTCJY-INIZCTEOSA-N 300.406 3.013 10 10 DGCE CCCNCc1ccc(N2CCO[C@@H](CF)C2)cc1Cl 2172051143 RHZJFSQSLKOALF-AWEZNQCLSA-N 300.805 3.014 10 10 DGCE CCN[C@@H](C)c1ccc(N2CCOC[C@H]2CF)cc1Cl 2182605688 OJOODNYZASFSTB-WCQYABFASA-N 300.805 3.185 10 10 DGCE C[C@@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C)c1ccccc1O 2211054632 KLKSSYIJQPRCBZ-UMVBOHGHSA-N 320.433 3.441 10 10 DGCE CN[C@@H](C)c1ccc(N2CC[C@@H](OC(F)F)C2)cc1Cl 2238877548 FUWCIJAONZWWGB-GXSJLCMTSA-N 304.768 3.438 10 10 DGCE COc1ccc(N2CC[C@@H](N)C[C@@H]2C(F)(F)F)cc1Cl 2281011305 FNUZRKDEXXVFDS-PRHODGIISA-N 308.731 3.207 10 10 DGCE CCOC(=O)c1ccc(NCc2cnc(SC)s2)nc1 2284536116 DRMRCLNLUWWIOZ-UHFFFAOYSA-N 309.416 3.049 10 10 DGCE Cc1ccc(CN=[S@](C)(=O)C(C)C)c(O)c1Br 2307565709 QBAUBYBBBWGJEO-QGZVFWFLSA-N 320.252 3.469 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C=CC1CCCCC1 2309813749 GLLGDACHCYRQKI-ZDUSSCGKSA-N 303.402 3.282 10 10 DGCE CCN(CCN=[N+]=[N-])Cc1c(Br)c(C)nn1CC 2315986693 HEJPCKHMSOREAU-UHFFFAOYSA-N 315.219 3.106 10 10 DGCE Cc1ccc(CN(C)[C@@H]2CO[C@H](C)C2)c(O)c1Br 2327579859 AKLFVVKBTYWJRQ-PWSUYJOCSA-N 314.223 3.072 10 10 DGCE Cc1ccc(CNC(=O)C2CCCC2)c(O)c1Br 2327585380 GQTVZZPXZZUNAJ-UHFFFAOYSA-N 312.207 3.270 10 10 DGCE Cc1ccc(CN[C@]2(C)CCO[C@@H]2C)c(O)c1Br 2327799400 VCBWBNVXXMVDSU-QMTHXVAHSA-N 314.223 3.120 10 10 DGCE CO[C@H]1CCN(Cc2ccc(C)c(Br)c2O)[C@@H]1C 2327801494 SEQFXNPRIPUEAT-PWSUYJOCSA-N 314.223 3.072 10 10 DGCE Cc1ccc(CNC(=O)[C@H]2C=CCCC2)c(O)c1Br 2352640339 IMWBAUQNWHPVTR-NSHDSACASA-N 324.218 3.436 10 10 DGCE Oc1ccc(OC(F)(F)F)cc1CNC[C@@H]1CCCS1 2361044526 ZQJMQPQPLHLPKT-NSHDSACASA-N 307.337 3.276 10 10 DGCE CCN1C(=O)/C(=C/C=C/c2ccc([N+](=O)[O-])cc2)SC1=S 33809107 BRJCPHDCOPTSEN-UBXZVMTISA-N 320.395 3.372 10 10 DGCE COc1cc(Cl)c([C@H](O)COc2ccc(N)cc2)cc1OC 40352073 IRGPYOHXPALLHJ-CQSZACIVSA-N 323.776 3.052 10 10 DGCE Cc1ccc(C(=O)NCCOc2ccc(N)cc2)cc1Cl 63021051 AEDIWYQRCZCFLS-UHFFFAOYSA-N 304.777 3.039 10 10 DGCE CC(C)=CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 75290262 FJRPGEPARIJUIK-UHFFFAOYSA-N 305.333 3.367 10 10 DGCE CCCCCCOc1ccc(N2CC[C@H](CNCCO)C2)cc1 76360079 GVMDGZUVIHFAOU-QGZVFWFLSA-N 320.477 3.054 10 10 DGCE C[C@@H](NC(=O)/C=C/c1ccc(N2CCOCC2)cc1)C(C)(C)C 78652400 AJNJWEUAGHFYGI-JOZWUWCOSA-N 316.445 3.087 10 10 DGCE COCCNCc1cc(F)c(Sc2nccs2)c(F)c1 111569758 XDODWIBYPFYTGX-UHFFFAOYSA-N 316.398 3.309 10 10 DGCE CCNCc1ccc(N(C)CC[C@H](C)O)cc1C(F)(F)F 135584617 PRHZQIZOJVHBKD-NSHDSACASA-N 304.356 3.022 10 10 DGCE COc1ccc(N(C[C@H](O)COC(C)(C)C)C(C)C)cc1F 156790375 FBCGKOOFAYSTQL-AWEZNQCLSA-N 313.413 3.225 10 10 DGCE CCC1(CC)CN(Cc2cc(C)c(C)cc2O)CC[S@@]1=O 187556789 YJIZLQNUJMOTHS-NRFANRHFSA-N 309.475 3.132 10 10 DGCE CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@H]2c2ccccc2F)cc1 248132762 QUULJRMYCQMJHW-IAGOWNOFSA-N 312.388 3.312 10 10 DGCE Cc1nnc([C@@H](C)NCc2cc(Cl)c(F)cc2O)s1 293624620 MUQFFPQCHLSVEB-ZCFIWIBFSA-N 301.774 3.195 10 10 DGCE c1cncc([C@H]2C[C@H](NCc3ccc4c(c3)CCO4)CCO2)c1 294952266 HTAZIBUCQWIRKQ-IEBWSBKVSA-N 310.397 3.026 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCC2(CCCCC2)C1 588405867 YVHFMFQEKOYVEV-ALCCZGGFSA-N 301.386 3.294 10 10 DGCE NCc1ccc(N2C[C@H]3CC[C@@H](C3)C2)c(F)c1Br 699333872 SYANWUZYEKBONN-UWVGGRQHSA-N 313.214 3.283 10 10 DGCE CCNCc1ccc(N2CC[C@@H](F)C2)c(Br)c1 701711260 BFCODAJVOIWHJX-LLVKDONJSA-N 301.203 3.107 10 10 DGCE C[C@H](NCc1c(O)cccc1Br)c1nccs1 706821306 BQJXIWFYLPZNIU-QMMMGPOBSA-N 313.220 3.462 10 10 DGCE OCc1ccc(N2CCS[C@@H](C(F)(F)F)C2)c(Cl)c1 721386610 XPSAUOWUPVNLSP-LLVKDONJSA-N 311.756 3.316 10 10 DGCE NCc1ccc(N2C[C@H]3CC=CC[C@@H]3C2)c(Br)c1 723190605 ILRDDDFYPLTZRM-CHWSQXEVSA-N 307.235 3.310 10 10 DGCE CC(C)Oc1nccnc1NCc1ccc(N2CCCC2)cc1 762790923 QVFWJQSKBLMKLY-UHFFFAOYSA-N 312.417 3.476 10 10 DGCE CN(C)c1ccc(CNCC[C@H]2CCOC2)c(C(F)(F)F)c1 793074963 VGCXFUBAIZGPRT-LBPRGKRZSA-N 316.367 3.288 10 10 DGCE c1cc2c(cc1CN[C@@H]1CCC[C@H]([C@H]3CCOC3)C1)CCO2 798494815 SXVKHDBKGBFYKI-RYQLBKOJSA-N 301.430 3.306 10 10 DGCE CC(=O)C(=O)COC(=O)C[C@@H]1C[C@@H](C(C)C)c2ccccc21 808544611 FXRIWKQCZJBYPW-BBRMVZONSA-N 302.370 3.005 10 10 DGCE CCC[C@H](NC(=O)NCc1cccc(OC)c1O)C(C)(C)C 838657165 AXNBMSSTTXDOQO-AWEZNQCLSA-N 308.422 3.415 10 10 DGCE C[C@H](O)[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccccc1F 846015599 CROKFUOURWIXEI-KPZWWZAWSA-N 320.383 3.243 10 10 DGCE CCCN(CCC)c1ccc(CNCc2cn(CC)nn2)cc1 850366417 ZYPXQCVFLKXAOA-UHFFFAOYSA-N 315.465 3.214 10 10 DGCE C[C@H](N[C@H]1CCCSCC1)c1ccc(N2CCOCC2)cc1 850427890 GKEBPEDMQWNFAO-RDJZCZTQSA-N 320.502 3.460 10 10 DGCE C[C@H](NC(=O)NCCO[C@@H]1CCCC[C@H]1C)c1ccccc1O 868103157 GDVYCTFSYRNHCN-JKIFEVAISA-N 320.433 3.348 10 10 DGCE CC1(C)CN(C(=O)c2cc3cc(O)c(O)cc3s2)CCS1 896883621 FZHHYVAXXSZGPF-UHFFFAOYSA-N 323.439 3.280 10 10 DGCE FC(F)(F)[C@H]1CC[C@@H](CNCc2ccc3c(c2)CCCO3)O1 922454135 BMSILUWDQYSCAC-DZGCQCFKSA-N 315.335 3.211 10 10 DGCE CCN(CC)c1ccc(CNC(=O)C[C@@H]2CC(C)(C)CO2)cc1 1125166268 GTIBDBJOVACHDU-QGZVFWFLSA-N 318.461 3.354 10 10 DGCE CO[C@H](CC(C)C)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1352615654 RVTUAOVBJHQLBS-GOSISDBHSA-N 318.461 3.306 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCCc2cc[nH]n2)c1 1633491527 NZBUJARHJSMXDT-UHFFFAOYSA-N 322.412 3.098 10 10 DGCE Cc1cc(CC(=O)Nc2ncccc2O)c(C)n1-c1ccccc1 1633847703 BYJWDVMEENYJSS-UHFFFAOYSA-N 321.380 3.376 10 10 DGCE C[C@@H](NC(=O)c1c(F)c(F)cc(F)c1F)c1ccccc1O 1642827554 LBEYCYDGNLKTNR-SSDOTTSWSA-N 313.250 3.440 10 10 DGCE c1cc2c(cc1CN[C@@H]1CC[C@H]3SCCS[C@@H]13)CCCO2 1656037625 DDYXEYGJWMEMMQ-OIISXLGYSA-N 321.511 3.481 10 10 DGCE CCN(CC)c1nnc(C)n1CCCSc1nccs1 1746096771 YSMFEUWHAZEINJ-UHFFFAOYSA-N 311.480 3.072 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(N)cc2)[C@@H]1C1CC1 1897083076 DRBOVXQUQHLXCR-CVEARBPZSA-N 317.433 3.469 10 10 DGCE Cc1cc(S(=O)(=O)N2CCC(N=[N+]=[N-])CC2)sc1Cl 1912172150 RPJHOLQWGRKDRR-UHFFFAOYSA-N 320.827 3.173 10 10 DGCE CN(CCN=[N+]=[N-])C(=O)CSc1nc2ccccc2s1 1912210193 GFHJUOCMGDBOHY-UHFFFAOYSA-N 307.404 3.157 10 10 DGCE C[C@H](O)CN(Cc1ccccc1)c1ccc([C@@H](C)N)cc1F 1914615666 DZBDVSZSPYEHBJ-UONOGXRCSA-N 302.393 3.233 10 10 DGCE Cc1cc(N(Cc2ccccc2)C2(CO)CCC2)ccc1CO 1915647524 JZKWOIVUSGYNNO-UHFFFAOYSA-N 311.425 3.409 10 10 DGCE CN[C@H](c1ccccc1O)C1CC(N(C)C(=O)OC(C)(C)C)C1 1936986497 INAIMCYLQFWZRD-ZUEPYMLJSA-N 320.433 3.298 10 10 DGCE CC(C)(C)OC(=O)NC[C@H](N)c1ccc2ccccc2c1O 1951866465 WQIZGMPTGRETTJ-AWEZNQCLSA-N 302.374 3.070 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CN(c2ccc(N)cc2)C2(CCC2)C1 1977935994 WQDGOJFJBBOLKE-AWEZNQCLSA-N 317.433 3.295 10 10 DGCE CC(C)(C)OC(=O)N1CCN(CCCCN=[N+]=[N-])CC2(CC2)C1 1984727095 KXLUSLNOIGBDEE-UHFFFAOYSA-N 323.441 3.410 10 10 DGCE N[C@]1(c2ccc(N3CCCC3)cc2)CCN(Cc2ccccc2)C1 1999523957 SXHXJSIDJOIYDM-OAQYLSRUSA-N 321.468 3.347 10 10 DGCE CC(C)c1cc(CN(C)C)n(Cc2ccc(Cl)cc2O)n1 2070133531 FZZSFSJODOIWCZ-UHFFFAOYSA-N 307.825 3.475 10 10 DGCE Cc1ccc([C@H](C)n2nc(C3CC3)c(CN)c2Cl)c(O)c1 2079002425 IYUILEGNTKEQGV-JTQLQIEISA-N 305.809 3.496 10 10 DGCE CCN1CCc2cc([C@@H](NN)c3sccc3Cl)ccc21 2163156894 WEQFGBPMNCMWKX-CQSZACIVSA-N 307.850 3.337 10 10 DGCE CP(C)(=O)[C@H]1CCCCN1c1c(F)cc(CO)cc1F 2164509658 XETVTWPORVFBEA-ZDUSSCGKSA-N 303.289 3.396 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1[C@H]2CCC[C@H]1CNC2 2226297789 WNBVDSKANXXRIJ-RYUDHWBXSA-N 301.217 3.025 10 10 DGCE C[C@@H](O)c1ccc(N(C)CC2(F)CCOCC2)cc1Cl 2238271267 AIIWVUFKXSFYGZ-LLVKDONJSA-N 301.789 3.348 10 10 DGCE CN(Cc1cc(Cl)ccc1O)C[C@H](F)C1CCOCC1 2238364839 MYGVTLIZNSQVEH-AWEZNQCLSA-N 301.789 3.242 10 10 DGCE CN(c1ccc(N)cc1)[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2245366191 AIPZFLFXWUMHLX-HNNXBMFYSA-N 319.449 3.351 10 10 DGCE CCCOC(=O)c1ccc(N=NN2C[C@H](C)O[C@H](C)C2)cc1 2330159031 UYRXZRQQZSHBMC-BETUJISGSA-N 305.378 3.361 10 10 DGCE CCOc1ccc(N=NN2CCC(C(=O)O)CC2)cc1OCC 2330236266 HQAAJQQDLTZNSB-UHFFFAOYSA-N 321.377 3.279 10 10 DGCE COc1ccc(C(=O)N2CCc3cc(N4CCCC4)ccc32)cc1 41121287 HIMUJYMCKPMWAY-UHFFFAOYSA-N 322.408 3.498 10 10 DGCE CCN(CC(C)C)c1c(F)cc(CNCCOC)cc1F 62735419 CEUQCCSIDMKENM-UHFFFAOYSA-N 300.393 3.183 10 10 DGCE COc1ccc([C@@H](C)NCc2cc3c(cc2O)OCO3)cc1F 63255978 LAJJGIHIHHKJQE-SNVBAGLBSA-N 319.332 3.119 10 10 DGCE C[C@@H](Sc1ccc(Cl)cn1)C(=O)Nc1ccc(N)cc1 79424969 BAFWOIDUEGEBHH-SECBINFHSA-N 307.806 3.437 10 10 DGCE CCN(Cc1ccc(N)cc1)Cc1c(Cl)c(C)nn1CC 89279645 ILJRLFZMPWAKEH-UHFFFAOYSA-N 306.841 3.469 10 10 DGCE CCCN[C@@]1(C(=O)OCC)CC[C@H](Sc2nccs2)C1 93851750 JHKRTKSAQHJXCB-FZMZJTMJSA-N 314.476 3.089 10 10 DGCE CCNCc1ccc(N2CC[C@H](N3CCCC3)C2)c(Cl)c1 164065337 VZLDQVDSLYTCMT-HNNXBMFYSA-N 307.869 3.124 10 10 DGCE O=C(NCCc1ccc(O)c(O)c1)Nc1cccc2cnccc12 172119289 QEPFQAFIXKAYKI-UHFFFAOYSA-N 323.352 3.010 10 10 DGCE C[C@H]1CO[C@H](C)CN1[C@@H](C)c1cc(Br)ccc1O 217779387 MYKBRTHSMXXQGR-AXFHLTTASA-N 314.223 3.325 10 10 DGCE CC(C)N1[C@H]2CC[C@H]1CN(Cc1cccc(Cl)c1O)CC2 245870333 RJDVRTQIXSLZAK-GJZGRUSLSA-N 308.853 3.493 10 10 DGCE Cc1cnn([C@@H]2CCN(Cc3cc(Cl)cc(C)c3O)C2)c1 291007194 WLUXBYHCTQHLPD-OAHLLOKOSA-N 305.809 3.306 10 10 DGCE Oc1cccc2c1[C@H](Nc1ccc(N3CCOCC3)cc1)CC2 324022823 QLTQGKLPVSLQHQ-QGZVFWFLSA-N 310.397 3.328 10 10 DGCE CCOc1ccc(O)c(CN2CCC3(CCOCC3)[C@@H]2C)c1 375237038 MDMWCWNPWCDJRF-AWEZNQCLSA-N 305.418 3.182 10 10 DGCE CN(CCCNCc1cc(F)ccc1O)Cc1ccccc1 378899720 BMUHIUCVBPHAEA-UHFFFAOYSA-N 302.393 3.143 10 10 DGCE C[C@@H](CN(C)Cc1ccccc1)N[C@@H](C)c1ccc(O)cc1O 381054493 IDBQVIMJJNHXIX-GJZGRUSLSA-N 314.429 3.269 10 10 DGCE C[C@H](CCOCc1ccccc1)Nc1c(N)cccc1C(=O)O 390364678 SBHWWJPFPBCNQI-CYBMUJFWSA-N 314.385 3.374 10 10 DGCE CCCNCc1ccc(N(C)[C@@H](C)C[S@](C)=O)c(Cl)c1 398867543 AIURQRLEOTVZGT-YUNKPMOVSA-N 316.898 3.043 10 10 DGCE Cc1ncccc1/C=C\C(=O)N(C[C@H]1CCCO1)c1ccncc1 493822197 MQCJAQTVRAZZGJ-HPFMTEOYSA-N 323.396 3.010 10 10 DGCE CN(C[C@]1(C)CC1(F)F)c1ccc(CN)c(Br)c1 689197320 VAWMVEFFPKDNMO-LBPRGKRZSA-N 319.193 3.389 10 10 DGCE CC[C@H](NCc1cnccn1)c1cc(Br)ccc1O 698169891 YIRHELUGLXGWGD-ZDUSSCGKSA-N 322.206 3.186 10 10 DGCE COc1ccc(N2CCC(NC(=O)/C=C\C(C)(C)C)CC2)cc1 731903057 ZNSUZWNGNALUNC-XFXZXTDPSA-N 316.445 3.383 10 10 DGCE COc1cccc(CNC(=O)N[C@H]2CCCC[C@@H]2C(C)C)c1O 745803662 RKYHMCHABSBDDY-CABCVRRESA-N 320.433 3.415 10 10 DGCE COC(=O)c1cc(CN(C)c2ccc(OC)cc2OC)c(C)o1 752122547 LYPBWNKPGMDZBY-UHFFFAOYSA-N 319.357 3.028 10 10 DGCE COc1ccc2c(c1)CCCN2Cc1ccc(-n2cncn2)cc1 780767754 WSMGWHAUJMIXLV-UHFFFAOYSA-N 320.396 3.229 10 10 DGCE C[C@H]1CC[C@]2(CCN(C(=O)NCc3ccc(N(C)C)cc3)C2)C1 781610062 QYJSXZALQUSLOG-KXBFYZLASA-N 315.461 3.474 10 10 DGCE Cc1cc(NS(=O)(=O)/C=C\c2ccccc2F)ccc1O 799923087 ARPXVVZWIDFOIY-HJWRWDBZSA-N 307.346 3.252 10 10 DGCE CC(C)(C)[C@@H]1CC[C@@H]1NCc1ccc(N2CCOCC2)cc1 806134148 VAUWVVXQOWUEHV-MSOLQXFVSA-N 302.462 3.438 10 10 DGCE CCOc1ccc(O)c(CNC[C@H]2CC23CCSCC3)c1 817411428 RJIUDBAVBVPNIH-CQSZACIVSA-N 307.459 3.414 10 10 DGCE C[C@@H](CSCCF)NCc1cccc(Br)c1O 825710338 MFFZFIANNGHJQR-VIFPVBQESA-N 322.243 3.336 10 10 DGCE CCOc1ccc(N(CC)Cc2cn(CC3CC3)nn2)cc1 828194319 JMIKUFGTPZBZGI-UHFFFAOYSA-N 300.406 3.113 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1(C2CCC2)CCC1 836781650 OAXVKJWDZUDSFZ-LBPRGKRZSA-N 303.402 3.115 10 10 DGCE CN(C)c1ccc(CNC(=O)[C@H]2C[C@@]2(F)c2ccccc2)cc1 839469547 LEHUDWXZPWXQJF-IEBWSBKVSA-N 312.388 3.254 10 10 DGCE CN(C)c1ccc(/C=C/CNCC(F)(F)Br)cc1 842209908 KZUMLGRTTURTDI-ONEGZZNKSA-N 319.193 3.343 10 10 DGCE Cc1ccc([C@H](C)NC[C@H](C)N2C[C@H](C)O[C@H](C)C2)c(O)c1C 848557025 DXGPFXIWGBCCQJ-MPTYRVRUSA-N 320.477 3.157 10 10 DGCE COc1ccc(N2CC[C@H](N[C@H](C)CCc3ccco3)C2)cc1 850489244 SFVGLCYAFVKOFK-CVEARBPZSA-N 314.429 3.478 10 10 DGCE COc1ccc2ccc(O)c(CN3CC[C@H]4COC[C@@H]4C3)c2c1 853586648 VTJKDPBAAZVXIK-GJZGRUSLSA-N 313.397 3.022 10 10 DGCE COC(=O)c1ccc(O)c([C@H](C)NCC[C@@H]2CCCS2)c1 866481744 VRJZTGYQKAGQTK-AAEUAGOBSA-N 309.431 3.115 10 10 DGCE C[C@H](NCc1cc(C(F)(F)F)nn1C)c1cc(F)ccc1O 926927269 GCIJEKOJYADYMY-QMMMGPOBSA-N 317.286 3.134 10 10 DGCE CC[C@H](C)n1nc(NC(=O)N2Cc3cccc(O)c3C2)cc1C 930719043 YFJZOWJRSZMSOZ-NSHDSACASA-N 314.389 3.416 10 10 DGCE C[C@H](N)c1ccc(N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)cc1 1148929642 KLFFNXLNQNELDR-SCWSEQNSSA-N 321.468 3.417 10 10 DGCE COc1ccc(N(C)C[C@@H]2COC3(CCCCC3)O2)cc1F 1167880548 CIAVXCYXYFPLOZ-CQSZACIVSA-N 309.381 3.346 10 10 DGCE C[C@H](NC(=O)NCc1cc2ccccc2[nH]1)c1ccccc1O 1228275650 IRTSQZFLMAXHCT-LBPRGKRZSA-N 309.369 3.434 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)Nc1nc2ccccc2nc1F 1307092288 XWQWZCGOZBNGOP-SNVBAGLBSA-N 313.332 3.223 10 10 DGCE CC[C@H](NC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)C1CC1 1312884992 LGABQJUVNKWVAK-KSSFIOAISA-N 317.477 3.480 10 10 DGCE CCO[C@@H]1C[C@@H](NCc2cc(Cl)c(C)cc2O)[C@@H]1SC 1327892736 RHDHROTVYVCSPD-YUELXQCFSA-N 315.866 3.353 10 10 DGCE CCC[C@H](CC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 1539235056 JXWCPMSPSRYDJQ-MAUKXSAKSA-N 319.493 3.298 10 10 DGCE CC(C)(C)[C@@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1586086523 OYEFLQQMRBNDQC-CQSZACIVSA-N 305.418 3.315 10 10 DGCE Cc1ccccc1-n1c(C)cc(C(=O)N2C[C@H]3COC[C@H]3C2)c1C 1594480526 LUSQQBQISGUWLO-CALCHBBNSA-N 324.424 3.121 10 10 DGCE C/C(=C/C(=O)NCc1ccc(O)cc1O)c1cccc(Cl)c1 1626838369 ZEKURFJBUNTYQO-XFFZJAGNSA-N 317.772 3.471 10 10 DGCE C[C@@H](NC(=O)Cc1cccc2ncccc12)c1ccccc1O 1632249980 GHBZQRCAOYOERR-CYBMUJFWSA-N 306.365 3.360 10 10 DGCE O=C(c1ccc([N+](=O)[O-])cc1Cl)N1Cc2cccc(O)c2C1 1643168360 AMPUQHQXSXFSSZ-UHFFFAOYSA-N 318.716 3.110 10 10 DGCE COC(=O)c1cnc(S/C=C\c2ccc([N+](=O)[O-])o2)s1 1652002676 PLVZUGIEQYYMEX-PLNGDYQASA-N 312.328 3.194 10 10 DGCE COc1ccc(CN[C@@H](C)CN(C)C(=O)CC2(C)CC2)cc1C 1774121741 QXOJJLIFBOYDAI-HNNXBMFYSA-N 318.461 3.130 10 10 DGCE Cc1cccc(/C=C2/SC(=S)N(CCCCCO)C2=O)c1 1858589895 OMOABRFQTOGALT-SDNWHVSQSA-N 321.467 3.359 10 10 DGCE CCN(CC[C@H](NC)c1ccccc1O)C(=O)OC(C)(C)C 1928471307 JGGLTKBFRNNWJA-AWEZNQCLSA-N 308.422 3.300 10 10 DGCE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[C@H](N)c1ccccc1O 1936972945 DLKHWVMPCSJMAL-IVMMDQJWSA-N 320.433 3.285 10 10 DGCE CC(C)(C)OC(=O)N1CCSC[C@H](Nc2ccc(N)cc2)C1 1959350677 GWOOEHJNSFVGGI-CQSZACIVSA-N 323.462 3.033 10 10 DGCE COc1cc(Cl)cc(CN[C@H](C)c2snnc2C)c1O 1967779475 XEBLHSAZSCGIHB-SSDOTTSWSA-N 313.810 3.065 10 10 DGCE C[C@@H]1C[C@H](NCc2c(O)cccc2F)CN1C(=O)OC(C)(C)C 1976861281 UIACUYDVERWPMD-NEPJUHHUSA-N 324.396 3.019 10 10 DGCE COc1ccc(N(C)C(C)(C)CNC(=O)OC(C)(C)C)c(N)c1 1977910806 JTMLFWPMKRKSTH-UHFFFAOYSA-N 323.437 3.017 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2CN(CCCCN=[N+]=[N-])C[C@@]2(C)C1 1982240165 BBULLNGPQNYSDY-CJNGLKHVSA-N 323.441 3.266 10 10 DGCE NCc1ccc(N2CCCC[C@@H]2CF)cc1Br 2004419082 CLHQFSHPTKKXFF-GFCCVEGCSA-N 301.203 3.236 10 10 DGCE C[C@H]1CCOCC[C@@H]1NCc1ccc(Br)cc1O 2046728468 VKKBWAFNEUBVBF-GWCFXTLKSA-N 314.223 3.059 10 10 DGCE C[C@H](N)c1ccc2c(c1)CCCN2CC1(Br)CC1 2049201566 XIFDGGNBENSZQA-NSHDSACASA-N 309.251 3.386 10 10 DGCE Cc1cc(C(=O)NCC2(CN=[N+]=[N-])CC2)oc1Br 2054025816 JJQAOLREDTVZMG-UHFFFAOYSA-N 313.155 3.171 10 10 DGCE Cc1cccc(Cn2nc(-c3ccccc3)cc2C(=O)O)c1O 2069902178 UQKHASDMQLLFIC-UHFFFAOYSA-N 308.337 3.311 10 10 DGCE COc1cnn([C@H](C)c2ccc(C)cc2O)c1Br 2070289458 FXILXJQBYWMZMT-SECBINFHSA-N 311.179 3.278 10 10 DGCE C[C@H]1CC[C@H](CN(C)Cc2cccc(Br)c2O)O1 2075385371 OUWSKECRVNVVAH-CMPLNLGQSA-N 314.223 3.154 10 10 DGCE CC[C@@H](c1cc(C)c(C)cc1O)n1nc(C)c(C(N)=O)c1Cl 2079927692 UUQIBPOHQFNDIN-LBPRGKRZSA-N 321.808 3.266 10 10 DGCE CN[C@H](c1ccccc1O)[C@@H](O)c1cccc(Br)c1 2091859595 PHTQOTAPBPFEHW-CABCVRRESA-N 322.202 3.149 10 10 DGCE CC(C)SC1CN(c2ccc(CN)cc2C(F)(F)F)C1 2153917149 SMMJIJNYHABOGG-UHFFFAOYSA-N 304.381 3.494 10 10 DGCE C[C@H]1C[C@H](N(C)c2ccc(CN)cc2C(F)(F)F)CS1 2189462228 NLLYICWBDGJAFM-ONGXEEELSA-N 304.381 3.494 10 10 DGCE CSc1ncc(Cn2c(S)nc3cc(C)cnc32)s1 2269270071 HIXKXGXVECUGFS-UHFFFAOYSA-N 308.457 3.255 10 10 DGCE CN1CCCc2cc(CNC(=O)C=Cc3ccccc3)ccc21 2296570950 RQSSRFLUUBAQAA-UHFFFAOYSA-N 306.409 3.399 10 10 DGCE Cn1cccc1C=C1SC(=S)N(c2cccc(O)c2)C1=O 2296883096 NJJLFEUTNUGCQU-UHFFFAOYSA-N 316.407 3.137 10 10 DGCE Cc1nn(C)c(Cl)c1C=CC(=O)N(C)c1ccccc1F 2297437410 AQXWPAWOPAKDAW-UHFFFAOYSA-N 307.756 3.197 10 10 DGCE CCS[C@H]1CCCCN(C(=O)C=Cc2ccc(O)c(O)c2)C1 2307987086 CGRREVOVBLBQOI-AWEZNQCLSA-N 321.442 3.245 10 10 DGCE Cc1cncc(C=CC(=O)N2C[C@@H](C)Oc3c(F)cccc32)c1 2309904640 YTMXYVKHGONMPU-CYBMUJFWSA-N 312.344 3.356 10 10 DGCE Cc1ccc(CN2[C@H](C)COC[C@H]2C)c(O)c1Br 2327563976 IKSQGCPDHMMBRE-GHMZBOCLSA-N 314.223 3.072 10 10 DGCE CCC[C@@H](CNCc1ccc(C)c(Br)c1O)OC 2327627642 COGHLNCEQYEFST-LBPRGKRZSA-N 316.239 3.368 10 10 DGCE Cc1ccc(CN2CC(OC(C)C)C2)c(O)c1Br 2327798724 LJPDZKWYGGWNBH-UHFFFAOYSA-N 314.223 3.072 10 10 DGCE CCCc1nnsc1CN(C)c1ccc(CO)c(Cl)c1 2360894102 WJTDLGXOZZCCTK-UHFFFAOYSA-N 311.838 3.273 10 10 DGCE Nc1ccc(CN2CCN(c3ccccc3Cl)CC2)cc1 20425651 OIXWPTJUNCGHMN-UHFFFAOYSA-N 301.821 3.244 10 10 DGCE Cc1ccc(CC(=O)NCc2ccc3c(c2)CCCN3C)s1 58770437 VRZGUQVQVSLUHJ-UHFFFAOYSA-N 314.454 3.298 10 10 DGCE Nc1ccc(Nc2ccccc2S(=O)(=O)C(F)(F)F)cc1 63067826 IBZGANTXUOWWLV-UHFFFAOYSA-N 316.304 3.306 10 10 DGCE Cc1cc2c(n1-c1ncccc1Br)CCC[C@H]2O 88447455 HPTWCWPWBCTDSA-CYBMUJFWSA-N 307.191 3.313 10 10 DGCE CCOc1cccc(CN2CCC[C@H](n3cc(C)cn3)C2)c1O 123022334 MTZQSSASUXPRJK-INIZCTEOSA-N 315.417 3.133 10 10 DGCE CC(C)OCCN(C)c1ccc([C@H](C)N)cc1Br 157991546 RXJSNZBKBHLXFR-NSHDSACASA-N 315.255 3.330 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)C(=O)n1ccc2cc(N)ccc21 170024163 AIZGGYZXDGPJQT-NSHDSACASA-N 310.353 3.154 10 10 DGCE Cc1ccc2oc(N3CCN(Cc4ccccc4O)CC3)nc2c1 179571525 JGGISXUWFZQGOF-UHFFFAOYSA-N 323.396 3.164 10 10 DGCE COCCC(C)(C)CN[C@@H](C)c1ccc(N2CCOCC2)cc1 183945043 NGKAZYYKUQEEBC-INIZCTEOSA-N 320.477 3.237 10 10 DGCE COc1ccc2c(c1)nc(CN[C@@H](C)c1ccccc1O)n2C 186526510 GXPDRESTVQORHF-LBPRGKRZSA-N 311.385 3.138 10 10 DGCE O=C1O[C@H](COc2ccc(N3CCCC3)cc2)CC12CCC2 190100242 SVKJQQZRQQRJDE-INIZCTEOSA-N 301.386 3.151 10 10 DGCE COc1cccc(CNCCc2cc(C)c(O)c(C)c2)c1O 190391638 VPXVXCMIZPDOIH-UHFFFAOYSA-N 301.386 3.056 10 10 DGCE COCCNCc1ccc(N2CCSC[C@H]2C)cc1Cl 234688066 JUPZUSGAYUHTJL-GFCCVEGCSA-N 314.882 3.018 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)/C=C\c2ccc(C)o2)c1 255076393 SSQUTYPSFMOISP-UPZNUWHASA-N 301.342 3.193 10 10 DGCE Cc1cc(/C=C\C(=O)N2CC[C@@](C)(O)C2)c(C)n1-c1ccccc1 255440958 QUUSXYPGLVGNKB-GDCKJWNLSA-N 324.424 3.091 10 10 DGCE CN(C)c1ccc(CN[C@@H]2CCCc3nc(O)ccc32)cc1F 264968945 QHGSTEMPFJEESY-OAHLLOKOSA-N 315.392 3.160 10 10 DGCE COc1cc(CN(C)Cc2cc(F)ccc2O)cc(OC)c1 272347312 ZWWVBXZQOQJCNL-UHFFFAOYSA-N 305.349 3.181 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1cncc(Cl)c1 294753193 AOSHOOYEKFKOBC-UHFFFAOYSA-N 304.777 3.493 10 10 DGCE C[C@@H](CN(C)Cc1ccccc1)N[C@H](C)c1c(O)cccc1O 309932211 ZOKBZKXSUOWYOG-LSDHHAIUSA-N 314.429 3.269 10 10 DGCE COc1ncc(NCc2cc(Cl)cc(Cl)c2O)cn1 384129877 AFVHABVNNGFZFH-UHFFFAOYSA-N 300.145 3.110 10 10 DGCE CN(c1ccc(CN)cc1Br)[C@H]1CCCSC1 689588443 JHDXJAMGKBOGNM-NSHDSACASA-N 315.280 3.240 10 10 DGCE COCCN(Cc1ccc(Br)cc1O)C(C)C 691781216 TVBSBNWEPHYKRN-UHFFFAOYSA-N 302.212 3.012 10 10 DGCE CC[C@H](O)c1ccc(N2CC3(CN(Cc4ccccc4)C3)C2)cc1 706212072 AJWHTPJWROPDQP-FQEVSTJZSA-N 322.452 3.452 10 10 DGCE CCCO[C@@H]1CCN(Cc2cc(Br)ccc2O)C1 706215854 IQXBUZZQLCIMII-CYBMUJFWSA-N 314.223 3.156 10 10 DGCE CSC[C@H](C)CNCc1cc(Br)cc(F)c1O 715793596 XITNLKZHPVAADD-MRVPVSSYSA-N 322.243 3.383 10 10 DGCE CN(C[C@@H]1CCCS1)c1ccc(CN)c(C(F)(F)F)c1 718457302 DEOJJUPMLRXKOB-LBPRGKRZSA-N 304.381 3.496 10 10 DGCE C[C@H]1CC[C@@H](C)N(C(=O)NCc2ccc3c(c2)CCCN3C)C1 745788455 KWRZHZXDKCEBBT-LSDHHAIUSA-N 315.461 3.399 10 10 DGCE Cc1nc(C2CC2)oc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 775406731 ZRPGWWULEKJJGS-LLVKDONJSA-N 313.401 3.417 10 10 DGCE COc1ccc(O)c(CNc2cc([N+](=O)[O-])ccc2C(C)=O)c1 811805882 FGNVJVOKYOEXFC-UHFFFAOYSA-N 316.313 3.124 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)c1cn(C(C)C)nn1 816593085 DQIPODRONOLBAU-UHFFFAOYSA-N 316.405 3.007 10 10 DGCE C[C@@H](CNC(=O)N(C)Cc1ccc(N(C)C)cc1)CC(F)F 827155018 MTSHIRUMWHVKEE-GFCCVEGCSA-N 313.392 3.185 10 10 DGCE COC(=O)[C@@](C)(CCF)NCc1cc(Cl)cc(Cl)c1O 827352683 NIKSVNOJHMZRCP-CYBMUJFWSA-N 324.179 3.080 10 10 DGCE Oc1cccc(Cl)c1CN1C[C@@]23CCCC[C@]2(COC3)C1 827850718 QBPHQJJGSBHBSF-IAGOWNOFSA-N 307.821 3.438 10 10 DGCE CC(C)c1cccc(CC(=O)NCCc2ccc(O)c(O)c2)c1 837483045 ZAGLWLGZBNMOJY-UHFFFAOYSA-N 313.397 3.123 10 10 DGCE CCCN1CCC(CNCc2ccc(N(C)C)cc2C)CC1 840931820 KIWWSLNKXPVNAP-UHFFFAOYSA-N 303.494 3.273 10 10 DGCE COc1cccc([C@H](C)N[C@@H](C)[C@@](C)(O)c2ccccc2)c1O 846188997 RVSSOBXHYNXTAO-CKFHNAJUSA-N 315.413 3.348 10 10 DGCE CN(Cc1ccc(N2CCOCC2)cc1)C[C@]1(C)CCCS1 862214502 SXDMURZJTVRUNE-SFHVURJKSA-N 320.502 3.241 10 10 DGCE COc1cccc2c1[C@H](C(=O)NCc1cc(C)ccc1O)CC2 862755830 ZGJFZWMRIZCWAN-OAHLLOKOSA-N 311.381 3.055 10 10 DGCE CCN(CC(F)(F)F)C(=O)c1cc2cc(O)c(O)cc2s1 900456454 MYPBRYATMVBYII-UHFFFAOYSA-N 319.304 3.337 10 10 DGCE COc1cccc([C@H](C)NC[C@@H]2CC[C@H](C(F)(F)F)O2)c1O 903176425 OSKOACWASKDMMT-OUJBWJOFSA-N 319.323 3.161 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)[C@@H]1CCCO1 906345780 VUTQNHKIRXAIRH-YJBOKZPZSA-N 318.461 3.305 10 10 DGCE CCC/C(C)=C/C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 1134882830 VICJRMKBWVZKRP-DUVHGLKDSA-N 317.477 3.218 10 10 DGCE CCc1cccc(CC)c1NC(=O)c1cc(O)c(O)c(O)c1 1148585929 FFZJMPYOYRBXAY-UHFFFAOYSA-N 301.342 3.181 10 10 DGCE O=C(Nc1ccc(F)cc1OC(F)F)c1cccc(O)c1O 1294073671 UWMCLEYPTLCSHW-UHFFFAOYSA-N 313.231 3.091 10 10 DGCE Cc1cc(NC(=O)c2cccc(O)c2O)cnc1C(F)(F)F 1301521694 NMEBNVUHFYZGIQ-UHFFFAOYSA-N 312.247 3.072 10 10 DGCE CC(=O)c1cccc(NC(=O)c2ccc(N=NC(N)=O)cc2)c1 1440497854 VKUSSOBLEKXKGR-UHFFFAOYSA-N 310.313 3.304 10 10 DGCE CCSc1ccccc1CC(=O)NCc1ccc(O)cc1O 1451765295 WUWFUQQGTLWNSZ-UHFFFAOYSA-N 317.410 3.069 10 10 DGCE O=C(/C=C\c1cncc(O)c1)N(CC1CC1)c1cccc(F)c1 1471168679 WOVUTVKXDPMFQV-SREVYHEPSA-N 312.344 3.383 10 10 DGCE CCC1(C(=O)N(C)C[C@@H](C)NCc2ccc(OC)c(C)c2)CC1 1485919810 MKCFWASLEXNMAD-OAHLLOKOSA-N 318.461 3.130 10 10 DGCE O=C(c1cc2cc(O)c(O)cc2s1)N1CCC=C(Cl)C1 1557314841 XYVQBMSSFLNJJA-UHFFFAOYSA-N 309.774 3.281 10 10 DGCE C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)Cc1ccc(O)c(O)c1 1621496399 GPCGAFBHTHZVQE-CJNGLKHVSA-N 311.381 3.045 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2cccnc2OCC(C)C)c1 1633283300 YLFMZMZOUZSKHP-UHFFFAOYSA-N 314.385 3.060 10 10 DGCE CC(=O)c1ccc(C(=O)NCc2c(O)ccc3ccccc23)o1 1635968684 GSYIXIIKXKNNFN-UHFFFAOYSA-N 309.321 3.271 10 10 DGCE COc1ccc(CNC/C=C\CNC(=O)CC(C)(C)C)cc1C 1699233123 PDLLVWXGKIXIDL-SREVYHEPSA-N 318.461 3.202 10 10 DGCE COc1ccc(CNCCN(C)C(=O)[C@H](C)C(C)(C)C)cc1C 1714722879 SPDFSGAXFIXACF-HNNXBMFYSA-N 320.477 3.234 10 10 DGCE CCCOc1c(/C=C2/C(=O)N(CC)N=C2C)cccc1OC 1865670169 MGZQGJMIKCXKLW-SDNWHVSQSA-N 302.374 3.105 10 10 DGCE CN(C)[C@@H]1CCCC[C@H]1Nc1c(N)cccc1Br 1921761035 ULILCTWKLAAUOM-CHWSQXEVSA-N 312.255 3.316 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C[C@H](N)c2ccccc2O)C1 1936967294 GDVWPDKMWXGSFK-NFAWXSAZSA-N 320.433 3.476 10 10 DGCE CN(Cc1cnsc1)c1ccc(CN)cc1Br 1945143888 KSAJCLIAFKUZES-UHFFFAOYSA-N 312.236 3.001 10 10 DGCE C[C@@H](N(Cc1ccccc1)c1ccc(CO)cc1F)C(C)(C)O 1980746862 BNELGVLNLBIOBS-CQSZACIVSA-N 317.404 3.484 10 10 DGCE CC[C@H]1[C@H](N[C@H](C)c2ccccc2O)CN1C(=O)OC(C)(C)C 1991576247 NVWCCVOGCYHEAM-YUELXQCFSA-N 320.433 3.441 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@@H]3CCN(Cc4ccccc4)[C@H]3C2)cc1 2015063049 KLFFNXLNQNELDR-PBEJRMEISA-N 321.468 3.417 10 10 DGCE C[C@@H](O)c1ccc(N(C)Cc2cocn2)c(Br)c1 2042266455 FXJWZGCRPDTHSL-SECBINFHSA-N 311.179 3.127 10 10 DGCE COC(=O)c1cc(C2CCCC2)nn1Cc1ccc(C)cc1O 2069871071 TTWVCQGSWYZVIP-UHFFFAOYSA-N 314.385 3.390 10 10 DGCE CCOC(=O)c1cnn([C@H](C)c2c(O)cccc2F)c1Cl 2070385688 NISTXCMLPKEABK-MRVPVSSYSA-N 312.728 3.167 10 10 DGCE Cc1ccc([C@H](C)n2nc(C3CCC3)c(C(=O)O)c2N)c(O)c1 2078999959 YGXWXALBTWZMRK-JTQLQIEISA-N 315.373 3.054 10 10 DGCE N[C@H]1C[C@H]2C[C@@H](C1)N(Cc1cc(Cl)cc(Cl)c1O)C2 2088296860 LYNMKKWPYDGLDH-UWJYBYFXSA-N 301.217 3.011 10 10 DGCE OCc1ccc(N2CCS[C@H]3CC[C@@H]32)cc1C(F)(F)F 2152205398 GOEMISSWOYRNRW-STQMWFEESA-N 303.349 3.282 10 10 DGCE C[C@@H](N)c1ccc(N2CCn3ncc(Cl)c3C2)cc1Cl 2154042971 ZVDDSKYTXZKRDD-SECBINFHSA-N 311.216 3.230 10 10 DGCE Oc1c(CNCc2csc(C(F)F)n2)ccc(F)c1F 2188750311 GKGSKGPSPAMDHB-UHFFFAOYSA-N 306.284 3.354 10 10 DGCE CC[C@H](C)NCc1cnc(SCCN(CC)CC)s1 2231442467 VHCKERDGLJQRKV-LBPRGKRZSA-N 301.525 3.465 10 10 DGCE CC[C@@H]1CN[C@@H](CC(C)C)CN1Cc1cnc(SC)s1 2284678519 WUXKXCBPPAYVPV-QWHCGFSZSA-N 313.536 3.464 10 10 DGCE CCc1nc2cc(N)ccc2n1Cc1cnc(SC)s1 2284703406 OINHFDHFNAAGIQ-UHFFFAOYSA-N 304.444 3.408 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1CCCN(C2CC2)C1 2288798236 XCPGZZFGGRRXHE-GFCCVEGCSA-N 315.244 3.415 10 10 DGCE CC(C)c1ccc(C=C2C(=O)NN(c3ccc(F)cc3)C2=O)cc1 2297327417 BWUVOAIVGRQVCZ-UHFFFAOYSA-N 324.355 3.411 10 10 DGCE CC[C@](C)(O)CN(C)Cc1ccc(C)c(Br)c1O 2327604250 WLKHHMUMSIPFEX-AWEZNQCLSA-N 316.239 3.056 10 10 DGCE CSc1ncc(CN[C@@]2(C(=O)O)CC(C)(C)C[C@H]2C)s1 2371898156 PEEKRUDUGGEWJN-OTYXRUKQSA-N 314.476 3.234 10 10 DGCE C[C@@H](OCc1ccccc1Cl)C(=O)Nc1ccc(N)cc1 20009285 KCQHFBQQROIWLG-LLVKDONJSA-N 304.777 3.466 10 10 DGCE CN(Cc1ccc(N)cc1)C(=O)Cc1c(F)cccc1Cl 35360075 FPKDRCATUWUSMF-UHFFFAOYSA-N 306.768 3.262 10 10 DGCE COc1cc([C@@H](O)COc2ccc(N)cc2)c(OC)cc1Cl 40352042 MNLNKDYSYTUQDC-AWEZNQCLSA-N 323.776 3.052 10 10 DGCE CCCN(c1ccc(N)cc1)S(=O)(=O)c1ccccc1C 88715090 ZBHCEBSBALZNJO-UHFFFAOYSA-N 304.415 3.183 10 10 DGCE CN(C)c1ccc([C@H](N)[C@@H]2CCO[C@]3(CCSC3)C2)cc1 97340083 JNJWFDQADUWDGL-HYVNUMGLSA-N 306.475 3.055 10 10 DGCE CCC(=O)N1C(=O)/C(=C/C=C\c2ccccc2)SC1=S 108834989 PLWZHJZRVIRBHC-IXMUGINYSA-N 303.408 3.381 10 10 DGCE C[C@H](N)c1ccc(N(C)[C@H]2CCSC2)c(Br)c1 109567072 BVKCCIVAPPHNIY-ONGXEEELSA-N 315.280 3.411 10 10 DGCE Fc1cc(CNCCC2=CCCC2)ccc1N1CCOCC1 120139322 DGWNOBIUAPJVGJ-UHFFFAOYSA-N 304.409 3.252 10 10 DGCE CN1C(=O)/C(=C/c2ccc(N3CCCC3)nc2)c2ccccc21 176952689 YOACRKMQRRWBKK-FOWTUZBSSA-N 305.381 3.199 10 10 DGCE C[C@H](NCCCN1CCCC1=O)c1ccc2ccccc2c1O 184888794 DDGIVBFIWODKHJ-AWEZNQCLSA-N 312.413 3.209 10 10 DGCE Cc1cnc(CNC(=S)Nc2ccc(N)c(Cl)c2)c(C)c1 242881795 GMEFLGUDEYRUDL-UHFFFAOYSA-N 320.849 3.421 10 10 DGCE CCOCCCN1CC[C@H](N[C@H](C)c2ccccc2O)[C@@H](C)C1 248386017 KVLBRBOPCKJWIC-JZXOWHBKSA-N 320.477 3.180 10 10 DGCE CCCN[C@@H]1C(=O)Nc2cc(N(C)Cc3ccccc3)ccc21 302869802 UTULPZFPVNKACV-SFHVURJKSA-N 309.413 3.316 10 10 DGCE C[C@H](NCc1cc(Br)ccc1O)[C@@H]1CCCCO1 379179825 ORCBFHPGFAWNDQ-HZMBPMFUSA-N 314.223 3.202 10 10 DGCE COC(=O)[C@@](C)(NCCN=[N+]=[N-])c1c(Cl)cccc1Cl 400842516 SWAUSBFCEBLZNM-LBPRGKRZSA-N 317.176 3.282 10 10 DGCE Cc1ccc(/C=C\C(=O)N(C[C@@H]2CCCO2)c2ccncc2)cn1 492551630 ULXXKDPSEVRYIQ-MJRGOJFPSA-N 323.396 3.010 10 10 DGCE CCOc1cc(O)ccc1NS(=O)(=O)/C=C\c1ccccc1 588581251 DNNMUARUTNNDET-KHPPLWFESA-N 319.382 3.204 10 10 DGCE CN[C@@H](C)c1ccc(N2CC[C@@H](F)C2)c(Br)c1 689845987 CRZZXKFJQFEWEP-GXSJLCMTSA-N 301.203 3.278 10 10 DGCE Cc1cc(CN(C)c2ccc(CN)c(Br)c2)ccn1 703134032 SSNDWPBHONRXFJ-UHFFFAOYSA-N 320.234 3.248 10 10 DGCE [N-]=[N+]=NCCCNC(=O)COc1ccc(Cl)cc1Cl 706326204 TXVSDEUCVXXMDT-UHFFFAOYSA-N 303.149 3.189 10 10 DGCE CCNCc1ccc(N2CC[C@@H]3C[C@@H]3C2)cc1Br 711019901 XQVJPVFLFRWEII-DGCLKSJQSA-N 309.251 3.405 10 10 DGCE CNCc1cc(F)c(N(C)C[C@H]2CCCSC2)c(F)c1 718281546 GTRNCMUVTCUGEZ-LLVKDONJSA-N 300.418 3.264 10 10 DGCE C[C@H](CNCc1c(O)cccc1Br)[C@@H]1CCCO1 720608608 JPUXLNJFMUEYRA-YGRLFVJLSA-N 314.223 3.059 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)CCc2ccc(C)o2)c1 746688140 BVFFYSGHDWLLDT-GFCCVEGCSA-N 303.358 3.112 10 10 DGCE COC(=O)/C(C)=C/CN(C)Cc1ccc(N2CCCCC2)cc1 748810122 QQLPWAXXTNDXQQ-LFIBNONCSA-N 316.445 3.228 10 10 DGCE CCOc1ccc(O)c(CN2CC(c3nc4ccccc4[nH]3)C2)c1 769478958 GBVGEBYMWBQSCD-UHFFFAOYSA-N 323.396 3.267 10 10 DGCE Cc1ccc(/C=C/C(=O)N2C[C@@H](C)Oc3c(F)cccc32)cn1 775423362 YQAHGYXKVUZTAF-MMQHEFTJSA-N 312.344 3.356 10 10 DGCE Oc1ccc(Br)cc1CNC1CC(C(F)F)C1 809712866 GBWYSFKXBFIIJI-UHFFFAOYSA-N 306.150 3.288 10 10 DGCE C/C(=C/c1ccccn1)C(=O)NCc1c(O)ccc2c1CCCC2 847591127 QETVQBFBEYKKGS-OWBHPGMISA-N 322.408 3.386 10 10 DGCE COc1ccnc(CNC(=S)Nc2cccc(C)c2C)c1F 849296321 DKIYLEGOCAFJIN-UHFFFAOYSA-N 319.405 3.333 10 10 DGCE COc1cc(CN[C@@H]2CCOC2(C)C)c(O)c(C(C)(C)C)c1 850314423 TTZUBAQKJKEZKW-OAHLLOKOSA-N 307.434 3.355 10 10 DGCE CC1(C)OC[C@@H]2C[C@]21NCc1ccc(N2CCCCC2)cc1 858228664 IXNNMMDLVJVINI-LPHOPBHVSA-N 300.446 3.334 10 10 DGCE O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(C(F)F)nc1 864364655 DXBMBVGQTLHIAU-WQLSENKSSA-N 323.368 3.475 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N(CC(F)(F)F)C2CC2)cc1 908268961 RZUAFCIDQQVPHU-UHFFFAOYSA-N 314.267 3.016 10 10 DGCE O=C(NCc1c(O)cccc1F)[C@H]1Cc2ccc(Cl)cc21 1178413279 PSQOGKVCLITUMP-LBPRGKRZSA-N 305.736 3.141 10 10 DGCE C[C@H](NC(=O)CCC(=O)c1cccc(F)c1)c1ccccc1O 1471194652 NSSXFLQAFXSMFU-LBPRGKRZSA-N 315.344 3.372 10 10 DGCE CCOC1CC(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)C1 1531692525 AWSRLXADALQVAT-UHFFFAOYSA-N 316.445 3.060 10 10 DGCE CCN(C)c1nnc(C(C)C)n1Cc1ccc(N(C)C)cc1C 1547323953 MGTSBBCMJNEABA-UHFFFAOYSA-N 315.465 3.280 10 10 DGCE O=C(NCc1cccc(Cl)c1O)c1ccc2[nH]ccc2c1 1558756948 IVRPMSVVWPDGBM-UHFFFAOYSA-N 300.745 3.457 10 10 DGCE O=C(Nc1ccccc1N=c1cc[nH]cc1)c1cc(O)cs1 1568443182 VNYIMFDXFZXPMR-UHFFFAOYSA-N 311.366 3.267 10 10 DGCE CCC(=CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)CC 1616858234 JJSINMZCQAMYIG-GOSISDBHSA-N 317.477 3.218 10 10 DGCE Cc1cccc([N+](=O)[O-])c1C(=O)NCc1cc(Cl)ccc1O 1628666397 CHKBSVSLBZNKLH-UHFFFAOYSA-N 320.732 3.192 10 10 DGCE CC(C)C[C@@H](N)C(=O)Nc1ccc(Oc2ccc(N)cc2)cc1 1865917004 HWFIZUWJXJIEEN-QGZVFWFLSA-N 313.401 3.373 10 10 DGCE CN(Cc1cccc(O)c1)c1ccc(CN)c(Br)c1 1877523303 FILSWLMTABKMRE-UHFFFAOYSA-N 321.218 3.250 10 10 DGCE CN(CCN=[N+]=[N-])Cc1ccc(Br)c(F)c1F 1912174485 ZUHIGOGOYNSXPA-UHFFFAOYSA-N 305.126 3.469 10 10 DGCE [N-]=[N+]=NC[C@H]1CCN(C(=O)Cc2ccc(Br)cc2)C1 1912181373 NJTQRZPCFLVTCY-LLVKDONJSA-N 323.194 3.150 10 10 DGCE [N-]=[N+]=NC1CN(C(=O)c2cc(C(F)(F)F)ccc2Cl)C1 1912194067 RSVKYUFVTQHRGN-UHFFFAOYSA-N 304.659 3.494 10 10 DGCE C[C@@H](CCO)N(Cc1ccccc1)c1ccc(CO)cc1F 1915075125 AMGYOJLKIAUKLD-AWEZNQCLSA-N 303.377 3.096 10 10 DGCE C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(c2ccc(N)cc2)C1 1977969437 APBDNWGHNZBJCF-XJKSGUPXSA-N 319.449 3.398 10 10 DGCE [N-]=[N+]=NC1CCN(Cc2cnsc2Br)CC1 1982798929 GKBNRIIZRFNKBD-UHFFFAOYSA-N 302.201 3.180 10 10 DGCE CC[C@@H]1C[C@@]1(NC(=O)OC(C)(C)C)[C@@H](NC)c1ccccc1O 1994987073 HLLFBCCFRPDOIM-MRAWALMUSA-N 320.433 3.346 10 10 DGCE NCc1cc(F)c(N2CC=C(F)CC2)cc1Br 2005140935 OCFNPBLSWKASGB-UHFFFAOYSA-N 303.150 3.110 10 10 DGCE C[C@H]1C[C@@]1(F)CNCc1cc(Br)cc(F)c1O 2025707469 PWOQATJCCQFLEX-JVXZTZIISA-N 306.150 3.132 10 10 DGCE COC(=O)c1cc(C(C)C)nn1[C@H](C)c1cccc(C)c1O 2069953662 XSELZRUZDXAVJJ-GFCCVEGCSA-N 302.374 3.416 10 10 DGCE COc1cccc(O)c1[C@@H](C)n1cc(C(=O)OC(C)(C)C)cn1 2069976455 IJDCAZFOOSWPGM-LLVKDONJSA-N 318.373 3.162 10 10 DGCE Oc1c(F)cc(Br)cc1CN[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32 2070882049 UHGHLKZGLKIPIJ-RTGZVWAHSA-N 312.182 3.038 10 10 DGCE NCc1cc(F)c(N2CCS[C@@H]3CCC[C@H]32)cc1Cl 2120882114 TVMPGFNDAXXBJF-TZMCWYRMSA-N 300.830 3.412 10 10 DGCE CC(C)N[C@@](CO)(CSc1nccs1)C1CCCC1 2143007002 AYLCZLZNDRAHDZ-AWEZNQCLSA-N 300.493 3.155 10 10 DGCE NC[C@@H]1CN(c2ncc(Cl)cc2Cl)Cc2ccccc21 2176215295 HHGSHKFKOSTJTG-LLVKDONJSA-N 308.212 3.451 10 10 DGCE CN(Cc1c(O)cccc1Cl)CC(F)(F)[C@@H]1CCOC1 2185333933 HMAFLTHVQCTLHD-SNVBAGLBSA-N 305.752 3.149 10 10 DGCE CC[C@@H](COC(F)F)NCc1cc(Cl)cc(OC)c1O 2187462440 XACUAVGIBKXQSV-JTQLQIEISA-N 309.740 3.162 10 10 DGCE CCCN[C@@H]1CCN(c2ccc(OC)cc2Br)C1 2221623996 HJKKTQPESVLVKC-LLVKDONJSA-N 313.239 3.036 10 10 DGCE C[C@H](Nc1cn(C)nc1Br)c1ccc(F)cc1O 2223020442 UUKQCLBLPUUVKN-ZETCQYMHSA-N 314.158 3.200 10 10 DGCE CC(F)(F)c1ncc(C(=O)N2CCC[C@H](N=[N+]=[N-])C2)s1 2289297240 RPLSUWYMQOXACL-ZETCQYMHSA-N 301.322 3.170 10 10 DGCE CC(=CC(=O)NCc1ccc(O)c(O)c1)c1ccccc1Cl 2301404123 DJRBPFQZYJQJCS-UHFFFAOYSA-N 317.772 3.471 10 10 DGCE COc1cc(Cl)cc(CN[C@H]2CC[C@@H]3[C@H]2C3(F)F)c1O 2354355081 HHVRCDTYIDQPNC-JFGNBEQYSA-N 303.736 3.188 10 10 DGCE Cc1ccc(OCc2cccc(F)c2Br)c(N)n1 156633564 XJYVMBQUVNWKRL-UHFFFAOYSA-N 311.154 3.453 10 10 DGCE COc1ccc(O)c(CN[C@H](C)c2cnn(C(C)C)c2C)c1 191366562 GKPIJJRGNFLFHA-GFCCVEGCSA-N 303.406 3.337 10 10 DGCE Ic1ccc(/N=N/N2CCCC2)cc1 196363113 GMIPLMJUQZZHLA-OUKQBFOZSA-N 301.131 3.386 10 10 DGCE C[C@@H](NC1CC(NC(=O)OC(C)(C)C)C1)c1cc(F)ccc1O 227581756 PVMFEPKHFKHUBB-QFWMXSHPSA-N 324.396 3.238 10 10 DGCE COc1ccccc1[C@@H](O)CN[C@H](C)c1c(C)cc(C)cc1O 284033524 JKFHWHRWMTZFRL-PBHICJAKSA-N 315.413 3.402 10 10 DGCE CN(CC(F)(F)F)c1cc(Br)c(CN)cc1F 310280935 HILXGQKWKWSVQO-UHFFFAOYSA-N 315.108 3.045 10 10 DGCE O=C1CCN(C/C=C\c2ccccc2[N+](=O)[O-])c2ccccc2N1 356336482 GOUPAPBQUMVIQG-ALCCZGGFSA-N 323.352 3.457 10 10 DGCE C[C@H](N[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1O 382484463 SPNKJOLJLBPHMD-BFHYXJOUSA-N 320.433 3.489 10 10 DGCE CNCc1ccc(N2CCN(Cc3ccccc3)[C@H](C)C2)cc1 396323589 ADQOYNXFOQEMJG-QGZVFWFLSA-N 309.457 3.117 10 10 DGCE NCCc1ccccc1C(=O)N1CC2(CCC2)c2ccccc21 580089020 RDERWUPSTYXUJO-UHFFFAOYSA-N 306.409 3.270 10 10 DGCE CN[C@@](CO)(CCCSc1nccs1)c1ccccc1 695023041 FUDKIFVJBUIOHS-OAHLLOKOSA-N 308.472 3.123 10 10 DGCE C[C@H](NC1CC(OCc2ccccc2)C1)c1c(O)cccc1O 716293970 DAANVVOROKMNKH-JEYLPNPQSA-N 313.397 3.496 10 10 DGCE C[C@@H](N[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1O 720624688 SPNKJOLJLBPHMD-MCIONIFRSA-N 320.433 3.489 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H](C(C)C)C1 756035155 DUGRGRBKTDJYOE-INIZCTEOSA-N 303.450 3.249 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)N(C)CCCN(C)C 775817245 LLVYHTQZKPYEHG-UHFFFAOYSA-N 319.474 3.179 10 10 DGCE Cc1cc(O)c(CN2CC[C@@H](n3cc(C)cn3)C2)c(Cl)c1 840947795 MIUVCEPQCCNYGH-CYBMUJFWSA-N 305.809 3.306 10 10 DGCE CCNC(=O)c1ccc(NCc2cc(OCC)ccc2O)cc1 842212435 AYZCLGFUPVSEHJ-UHFFFAOYSA-N 314.385 3.153 10 10 DGCE CCOc1cccc(CN[C@H](C(C)C)C2(CO)CC=CC2)c1O 843432678 HLRHHHYCOPYMLU-GOSISDBHSA-N 319.445 3.234 10 10 DGCE COc1ccc(O)c(CNC(=O)[C@H]2CCCC[C@@H]2C2CC2)c1 843830278 FMHPWJSQZSOETN-CVEARBPZSA-N 303.402 3.233 10 10 DGCE CCOc1ccc(O)c(CNCc2cc(Cl)ccc2O)c1 846057314 GNVQFURSXKRTDJ-UHFFFAOYSA-N 307.777 3.440 10 10 DGCE CC[C@H](NC(=O)NCCc1ccc(N)cc1)c1ccccc1F 846172994 PCEFVHYQUBYQLR-KRWDZBQOSA-N 315.392 3.401 10 10 DGCE COc1ccc(CN[C@H]2CCC[C@@H]2Cc2cnn(C)c2)cc1C 850384221 IRTGQBWIJROSIW-MSOLQXFVSA-N 313.445 3.238 10 10 DGCE COC[C@H](CCN[C@@H](C)c1ccc2ccccc2c1O)OC 850485249 CLFACKOGAOQMRM-ZFWWWQNUSA-N 303.402 3.248 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCC(C)(C)C3)C2)cc1 855224550 FWNPMBWYAHNRRK-GJZGRUSLSA-N 316.445 3.216 10 10 DGCE C[C@H](NC(=O)N[C@@H]1C[C@H]1c1ccsc1)c1ccccc1O 868812360 BEBNRAXTQTUMAS-LEWSCRJBSA-N 302.399 3.370 10 10 DGCE CCC[C@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)OCC 899126292 OXVXQKKAXWJIHA-LLVKDONJSA-N 323.414 3.248 10 10 DGCE Cc1ccc([C@H](C)N[C@@H]2CCCN3CCSC[C@H]23)c(O)c1C 903272491 UYLOVKYGPWXETF-USXIJHARSA-N 320.502 3.239 10 10 DGCE CCN(CC(C)C)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] 915211469 SQLYOZFUAXOXND-VQHVLOKHSA-N 306.362 3.263 10 10 DGCE COc1ccc(N(C)CC(=O)Nc2cccc(C)c2)cc1OC 920418774 GAUFGEPEHHAUQM-UHFFFAOYSA-N 314.385 3.087 10 10 DGCE Cc1ccc(O)c([C@@H](C)N[C@H]2C[C@@](CO)(c3ccccc3)C2)c1 927154781 DHBFSCPZILUCBX-MDYRTPRTSA-N 311.425 3.444 10 10 DGCE C[C@H](Oc1ccccc1F)C(=O)NCc1cccc(Cl)c1O 1159033686 LWBOWZJTYYBAAZ-JTQLQIEISA-N 323.751 3.268 10 10 DGCE CC(C)[C@H]1COCCN1Cc1cc(Br)ccc1O 1203645722 NJKBZJSQBPZBEC-CYBMUJFWSA-N 314.223 3.012 10 10 DGCE CC(C)COCCC(=O)NCc1c(O)ccc2ccccc12 1304089775 LHPCCOTUUKSLHX-UHFFFAOYSA-N 301.386 3.224 10 10 DGCE CCC[C@H](OCC)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1349117537 KNQIZWMNKBQKAO-SFHVURJKSA-N 318.461 3.450 10 10 DGCE C[C@@H](NC(=O)CNc1cccc(Cl)c1)c1ccccc1O 1454805522 KFSNELRUECQYKZ-LLVKDONJSA-N 304.777 3.335 10 10 DGCE Cc1ccc(CNCc2ccn(Cc3ccccc3)n2)c(O)c1 1462223898 NOJUSBIWMHUBPL-UHFFFAOYSA-N 307.397 3.235 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)c2cccc3ccncc23)c1 1465993780 WUEQHKNBKFYXKD-GFCCVEGCSA-N 322.364 3.440 10 10 DGCE COC[C@H](CN(Cc1ccccc1O)C[C@H]1CCCO1)C(C)C 1473262356 WSWTUWVQTAUJFO-ZWKOTPCHSA-N 321.461 3.292 10 10 DGCE CN(C(=O)/C=C/c1ccc(Cl)nc1)c1ccc(Cl)nc1 1519914612 ZHQANUBRBGPOFO-XVNBXDOJSA-N 308.168 3.460 10 10 DGCE Cc1ncccc1/C=C\C(=O)N1CCOc2c(F)ccc(F)c21 1527647766 VOGAVJSWQZPVGP-DAXSKMNVSA-N 316.307 3.107 10 10 DGCE C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1cc2cnccc2o1 1558067997 JSWSFBSVLKVIRQ-JOAKQRRISA-N 324.336 3.130 10 10 DGCE C[C@H]1Cc2cc(C(=O)NCc3cc(Cl)ccc3O)ccc2O1 1583820844 OCQPEDRCNZYIRM-JTQLQIEISA-N 317.772 3.299 10 10 DGCE CCC(C)(C)[C@@H](O)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1628954952 UZCXIPPWXGOIFZ-KRWDZBQOSA-N 318.461 3.042 10 10 DGCE CCCN(CC1CCCCC1)C(=O)Cc1ccc(O)c(O)c1 1630907121 BONUGOZTGJQWNA-UHFFFAOYSA-N 305.418 3.459 10 10 DGCE Cc1ccc(C(=O)N[C@H](C(F)F)C2CCCCC2)c(O)c1O 1633316105 HTIYOHVSEPJPNZ-LBPRGKRZSA-N 313.344 3.350 10 10 DGCE CCC(C)(C)[C@H](O)C(=O)NCc1ccc(N2CCCCC2)cc1 1639735242 WHCZTFPYGQRYGB-QGZVFWFLSA-N 318.461 3.090 10 10 DGCE COc1cccc2[nH]cc(CC(=O)N[C@@H](C)c3ccccc3O)c12 1643745833 ZZUKELCUUJOEIW-LBPRGKRZSA-N 324.380 3.302 10 10 DGCE O=C(/C=C/c1ccc(Cl)s1)NCc1cccc(O)c1O 1643812987 VJJXXMMYBYKRPA-FNORWQNLSA-N 309.774 3.142 10 10 DGCE CC(=O)CC1(C(=O)NCc2c(O)ccc3ccccc23)CCC1 1647790928 CKNMIRJVNXFBDJ-UHFFFAOYSA-N 311.381 3.311 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)[C@H]1CC[C@H]2CCCCN21 1647794931 USUAYJIPOJFESX-CRAIPNDOSA-N 324.424 3.179 10 10 DGCE C[C@H](CCc1cccc(F)c1)C(=O)NCc1cc(O)ccc1O 1651222923 RWBQBKYTTGCSMU-GFCCVEGCSA-N 317.360 3.122 10 10 DGCE O[C@H]1C[C@@H]2CN(c3ccc(OCc4ccccc4)cc3)C[C@@H]2C1 1899870609 OKHWLONEPLBVJC-DZFIZOCASA-N 309.409 3.473 10 10 DGCE CN(CCN=[N+]=[N-])C(=O)CCc1cccc(Br)c1 1912189228 UBTNWNOVDRMXJW-UHFFFAOYSA-N 311.183 3.150 10 10 DGCE CNCc1ccc(N2CC[C@H]2C(F)(F)F)c(Br)c1 1916173287 ZBMZCMNDWILUDO-NSHDSACASA-N 323.156 3.310 10 10 DGCE Oc1c(F)cc(Br)cc1CNC1[C@H]2CCC[C@H]12 1945055906 HTGQWDFZCKOTAZ-UWVGGRQHSA-N 300.171 3.182 10 10 DGCE Cc1sc(Br)cc1[C@H](NN)c1ccccc1O 1946694558 IGRNIJHPPVEGCL-GFCCVEGCSA-N 313.220 3.077 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H](N)c1cc(Cl)cc(Cl)c1O 1951862550 CDLYHEMSOMHARU-SNVBAGLBSA-N 321.204 3.224 10 10 DGCE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](F)CN1CCCCN=[N+]=[N-] 1962306059 XMXQFJTVISXQQZ-VXGBXAGGSA-N 315.393 3.014 10 10 DGCE Cc1cccc(O)c1CNCC1(CNC(=O)OC(C)(C)C)CC1 1963064505 VGKJYXXVAZVLLS-UHFFFAOYSA-N 320.433 3.095 10 10 DGCE C[C@H]1[C@@H](NCc2c(O)cccc2F)CCN1Cc1ccccc1 1976877332 NERJTQWYXCAETI-KSSFIOAISA-N 314.404 3.284 10 10 DGCE Cc1cccc(N)c1N[C@@H]1[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]21 1977673949 HILSFVLJCWNGAT-MAZHCROVSA-N 317.433 3.387 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@@H]2Nc1c(N)cccc1F 1977678592 QHMWXXWZMQATPJ-SUNKGSAMSA-N 321.396 3.218 10 10 DGCE Cc1ccc(O)c([C@H](C)N(OCc2ccccc2)C2CNC2)c1 1982822296 ALBUVVLNOHXBNL-HNNXBMFYSA-N 312.413 3.167 10 10 DGCE CCN(CCCCO)c1ccc([C@H](C)O)cc1Br 2041180485 GPNOIKOWLXTAJT-NSHDSACASA-N 316.239 3.101 10 10 DGCE COc1cccc(Cn2nc(C3CCCCC3)cc2CO)c1O 2070156087 XBMBCYRVSZZCRO-UHFFFAOYSA-N 316.401 3.186 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@H]2CCC=C2Br)c1 2076080965 ZGUKXAZLZSSSCU-ZANVPECISA-N 312.207 3.493 10 10 DGCE CCCN[C@@H](CSc1nccs1)c1cc(OC)ns1 2089281791 WDSLILWAQGPTKD-VIFPVBQESA-N 315.489 3.441 10 10 DGCE CC(=O)c1ccc(O)c(CN2CCC(Cl)=C(Cl)C2)c1 2097303243 LOEPLZKWDAYGFU-UHFFFAOYSA-N 300.185 3.490 10 10 DGCE CNCc1ccc(N(C)Cc2ncoc2C)c(Br)c1 2104089464 FKYVGUOVGQYZIO-UHFFFAOYSA-N 324.222 3.101 10 10 DGCE O=S(=O)(C=Cc1ccccc1)Nc1ccc(O)cc1Cl 2145850270 BGPMPTBJSPZNIF-UHFFFAOYSA-N 309.774 3.458 10 10 DGCE CSc1ncc(CN=c2[nH]c(C(C)(F)F)cs2)s1 2257011619 BTOSMSJHODUXFM-UHFFFAOYSA-N 307.416 3.467 10 10 DGCE CS[C@H]1CC[C@H]1N(C)c1ccc(CN)cc1Br 2307726715 IDUGNHBSDIQXBJ-OLZOCXBDSA-N 315.280 3.238 10 10 DGCE Oc1ccc(NCc2cc(Br)c3c(c2)OCO3)cc1 37131974 HPMQOJWOECAXRI-UHFFFAOYSA-N 322.158 3.496 10 10 DGCE CCOc1ccccc1CN(C)Cc1cc2c(cc1O)OCO2 54550887 AKYMXDHKJFZFNY-UHFFFAOYSA-N 315.369 3.152 10 10 DGCE CC[C@H](NCc1ncc[nH]1)c1cc(Br)ccc1O 80580333 RTUJZVHSPJFDHC-NSHDSACASA-N 310.195 3.119 10 10 DGCE C[C@](NCCN=[N+]=[N-])(C(=O)O)c1cc(F)c(Cl)cc1Cl 90256498 XFSINSNSSGZHQU-LLVKDONJSA-N 321.139 3.332 10 10 DGCE Cc1cccc2sc([C@H](N)Cc3ccc(O)c(O)c3)nc12 91944722 VTJFCPBWLVCMSG-LLVKDONJSA-N 300.383 3.258 10 10 DGCE CCOc1ccc(O)c(CN2CCCC[C@@H]2c2ncc[nH]2)c1 92729778 BBAWXIBOVWXXMH-OAHLLOKOSA-N 301.390 3.241 10 10 DGCE CCN[C@@H]1C(=O)Nc2cc(N(C)[C@@H](C)C3CC3)c(Cl)cc21 92750493 FWHIYJORPBAXNI-VFZGTOFNSA-N 307.825 3.177 10 10 DGCE CN(C)c1ccc(CN2CCO[C@H](c3cccc(O)c3)C2)cc1 93457494 WKVIXPKUMNBQBF-IBGZPJMESA-N 312.413 3.032 10 10 DGCE CCN1CCN(c2ccc(CNC(C)(C)C)cc2Cl)CC1 163930567 OOMDDHWHMJRVIM-UHFFFAOYSA-N 309.885 3.370 10 10 DGCE Cc1c([N+](=O)[O-])cnc(Nc2ccc(N)cc2)c1Br 165697717 IKXHWCLRGZFDDJ-UHFFFAOYSA-N 323.150 3.387 10 10 DGCE CN(C)c1cccc(NC(=O)c2ccc3c(c2)CCCC(=O)N3)c1 170553285 JYRKNXWGUNNSEA-UHFFFAOYSA-N 323.396 3.280 10 10 DGCE C[C@H](NCCOc1ccc(C#N)cc1)c1cc(F)ccc1O 186080402 PVUJDRYCCWOQCD-LBPRGKRZSA-N 300.333 3.133 10 10 DGCE CCN(CC)c1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 243281414 LARWQMJWUYRNRB-UHFFFAOYSA-N 314.385 3.125 10 10 DGCE CCNCc1cc(F)c(N2CCS[C@@H](C)[C@H]2C)c(F)c1 253083469 XXVRVLHBOGFSEU-MNOVXSKESA-N 300.418 3.405 10 10 DGCE Cc1cc(Cl)cc(CNC[C@H]2COC3(CCCC3)O2)c1O 271765032 ABNQJAKCPMCTJP-AWEZNQCLSA-N 311.809 3.129 10 10 DGCE CCN(CC)c1ccc(CNCc2ccc3cncn3c2)cc1 297660822 YVRAGJFVIKYUNG-UHFFFAOYSA-N 308.429 3.470 10 10 DGCE Cc1cc([C@@H]2CN(Cc3ccc(N)cc3)C(=O)O2)ccc1F 585893340 FJJDCZHCDNDJEU-INIZCTEOSA-N 300.333 3.410 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@@H]1Cc1ccccc1 588403568 OZAWMFWDQPVFHE-FPISAVPCSA-N 323.392 3.345 10 10 DGCE CO[C@@H]1CCC[C@H]1N(C)Cc1ccc(Br)cc1O 687460624 OGBPPWLYCJVZQQ-TZMCWYRMSA-N 314.223 3.154 10 10 DGCE N[C@H]1C[C@H]2CC[C@H]1N(Cc1cc(Cl)cc(Cl)c1O)C2 700861625 MKCYWHBWQXFMFB-OXHMUOHRSA-N 301.217 3.011 10 10 DGCE CN1C[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3O)C[C@]2(C)C1 702435201 LOOUAFMLEDJQLL-ABAIWWIYSA-N 315.244 3.083 10 10 DGCE CN(C[C@H]1CCSC1)c1ccc(CO)c(C(F)(F)F)c1 718391570 BCPOISOOTNIMJW-SNVBAGLBSA-N 305.365 3.387 10 10 DGCE Cc1ccc([C@H](C)NC(=S)Nc2ccc3c(c2)OCO3)o1 734751995 APAXPUWNFCWKJH-JTQLQIEISA-N 304.371 3.364 10 10 DGCE CC(C)CC[C@@](C)(O)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O 756604171 MEGVKTDWLNXGEI-BLLLJJGKSA-N 310.394 3.138 10 10 DGCE Cc1cc(Br)c(O)c(CN[C@H]2CCCSC2)c1 781917764 HCVNYFFZFZBDHN-NSHDSACASA-N 316.264 3.448 10 10 DGCE CN(C)c1ccc(CN(C(=O)N[C@@H]2[C@H]3CCC[C@H]32)C2CC2)cc1 787402270 UJOFZURMROKKSI-PIIMJCKOSA-N 313.445 3.225 10 10 DGCE CC1(C)CC(=O)c2cc(NC(=O)c3cc(O)cs3)ccc2O1 807669163 DFTOMQHMTKTTSE-UHFFFAOYSA-N 317.366 3.450 10 10 DGCE COc1cc(Br)cc(CN2CC(C3CC3)C2)c1O 812776549 VNGRXABARAXWFY-UHFFFAOYSA-N 312.207 3.005 10 10 DGCE Cc1cc(CN2CCC[C@@H](c3ccncn3)C2)ccc1N(C)C 815020075 YJUSBAHWBKTKTM-QGZVFWFLSA-N 310.445 3.231 10 10 DGCE Cc1ccc(C[C@H](CO)NC/C=C\c2ccc(N(C)C)cc2)cc1 835049454 DSKPVESOQAQKSV-BBIZLLLXSA-N 324.468 3.267 10 10 DGCE CN(C)c1ccc(/C=C\CNC2CC(N3CCCCC3)C2)cc1 835055198 WTVSNQAUBDQFMH-SREVYHEPSA-N 313.489 3.372 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@@H](c2ccccc2)[C@@H](C)O)c1 850582291 DBLRGQDUXNTFLX-VEVIJQCQSA-N 301.386 3.174 10 10 DGCE CN(Cc1ccccc1O)C(=O)c1ccc2c(c1)[C@@H](CN)CCC2 852790068 NXMFKSWVJJMKJS-MRXNPFEDSA-N 324.424 3.043 10 10 DGCE Cc1ccc([C@H](C)N[C@@H]2CNCC[C@@H]2c2ccccc2)c(O)c1 854222965 PQQNJNXDSQAFCT-KFKAGJAMSA-N 310.441 3.497 10 10 DGCE CC[C@H](NCC12CC(CN1)C2)c1cc(Cl)cc(Cl)c1O 854226972 KDIBESWOIHDFPY-MEXZMNCTSA-N 315.244 3.492 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)CCCC(C)C)C2)cc1 855224037 DTCCWDYREGCHQV-HNNXBMFYSA-N 304.434 3.216 10 10 DGCE CC[C@@H](NC(=O)N[C@H](C)c1ccccc1O)[C@H]1CCCCO1 868754258 HLIQCOPCJIGJTJ-XNRPHZJLSA-N 306.406 3.100 10 10 DGCE Cc1cc(C(=O)N2Cc3cccc(O)c3C2)nc2ccccc12 1152565449 LUGYRUJSGOQKGS-UHFFFAOYSA-N 304.349 3.405 10 10 DGCE C[C@H](N[C@@H](C)c1ccccc1O)C(=O)Nc1cccc(F)c1 1175418454 KRNFBGZRBLYUHT-RYUDHWBXSA-N 302.349 3.209 10 10 DGCE CN(CCc1ccc2c(c1)OC(F)(F)O2)Cc1ccccc1O 1191681649 GZDHJRUPTHBIEL-UHFFFAOYSA-N 321.323 3.388 10 10 DGCE C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1O 1197004754 VPMQWVLZIYUJML-SNVBAGLBSA-N 313.313 3.292 10 10 DGCE CN(C)c1ccc(CN2CCCC[C@H]2C(=O)OC(C)(C)C)cc1 1203933585 APXLJBJIUFIRFD-KRWDZBQOSA-N 318.461 3.449 10 10 DGCE CC(=O)c1c(C)cc(NC(=O)Cc2ccc(O)c(O)c2)cc1C 1303168992 YGMANIIMVUERHN-UHFFFAOYSA-N 313.353 3.098 10 10 DGCE COC1(C(=O)NCc2ccc(N(C)C)c(F)c2)CCCCCC1 1356251128 QFBSTNRXNGSUKD-UHFFFAOYSA-N 322.424 3.247 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)c1c(Cl)ccnc1F 1469877486 PKOOYBWHXAIJHO-UHFFFAOYSA-N 315.131 3.163 10 10 DGCE CCN(C(=O)/C=C(\C)c1cnccn1)c1ccc(F)c(F)c1 1526158348 AZQKBLUWPKNODS-DHZHZOJOSA-N 303.312 3.211 10 10 DGCE Cn1cnc(/C=C\C(=O)N(CC(F)(F)F)c2ccccc2)c1 1537429829 LHFQYJKJNPNXLW-FPLPWBNLSA-N 309.291 3.029 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)c1ccc(Cl)nc1F 1628680331 GOAKNLQVWQTUQL-UHFFFAOYSA-N 315.131 3.163 10 10 DGCE O=C(CCCOc1ccc(F)cc1)NCc1c(O)cccc1F 1645047907 CHMAFEOOTSMJQE-UHFFFAOYSA-N 321.323 3.146 10 10 DGCE COC(=O)c1cnc(SCc2cc(Cl)ccn2)s1 1652002787 TXAAKKKXVUPBTL-UHFFFAOYSA-N 300.792 3.270 10 10 DGCE O=C(NCc1c(O)cccc1F)N[C@@H]1CCc2ccccc21 1682528912 DXOMYDMMKJIKIW-OAHLLOKOSA-N 300.333 3.018 10 10 DGCE CCN[C@H](c1ccccc1O)[C@@H]1CC[C@H]1NC(=O)OC(C)(C)C 1898027624 KFIFOAHNLMIUSJ-XPKDYRNWSA-N 320.433 3.346 10 10 DGCE [N-]=[N+]=NC[C@H]1CCN(C(=O)c2ccc(Cl)nc2Cl)C1 1912152462 UGBZPVSTONQSGV-SSDOTTSWSA-N 300.149 3.161 10 10 DGCE Cc1cccc(N)c1N[C@@H]1CCOC[C@H]1OCc1ccccc1 1937206945 MHOAMIYRBAFXJH-QZTJIDSGSA-N 312.413 3.363 10 10 DGCE CC[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1[C@H](N)c1ccccc1O 1938454879 AASZQBOWKKJRIC-DAXOMENPSA-N 320.433 3.428 10 10 DGCE CNCc1ccc(N2CC[C@H](N(C)Cc3ccccc3)C2)c(C)c1 1946814093 BJKCSHMTBCBSON-FQEVSTJZSA-N 323.484 3.425 10 10 DGCE C[C@H](N)c1ccc(N2C[C@@H](F)[C@H](C)C2)cc1Br 1947330465 CPQXPWVFSGTQPO-VYUIOLGVSA-N 301.203 3.263 10 10 DGCE C[C@@H]([C@@H](N)c1ccc(N(C)C)cc1)N(C)C(=O)OC(C)(C)C 1959563318 ZOBBRQCFNGQQJD-SWLSCSKDSA-N 307.438 3.008 10 10 DGCE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N(CCCN=[N+]=[N-])C1 1962297846 BAGBQDRZJNPVOG-CHWSQXEVSA-N 311.430 3.264 10 10 DGCE Nc1ccccc1N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C(F)F 1989881876 AQSPUCAIGIVSPO-WMLDXEAASA-N 317.383 3.446 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@](F)(COc2ccc(N)cc2)C1 1992433850 OQUIPWIMURSHRG-KRWDZBQOSA-N 324.396 3.387 10 10 DGCE C[C@@H]1CN(c2ccc3c(c2)CC[C@@H]3O)CCN1Cc1ccccc1 2012704788 GMQYLQYTRRVHAA-IERDGZPVSA-N 322.452 3.377 10 10 DGCE CCCN(CCOC)c1ccc(CNC)cc1Br 2036717099 AMSSUSBLHMNMGA-UHFFFAOYSA-N 315.255 3.031 10 10 DGCE CC[C@H](c1cc(Br)ccc1O)N(C)[C@@H](C)CCN 2040925034 MPISJFWIPXUTFD-GXFFZTMASA-N 315.255 3.275 10 10 DGCE CN(c1ccc(CN)c(Br)c1F)[C@H]1CCC[C@H]1F 2055387216 GONSPFICUURHJV-ZJUUUORDSA-N 319.193 3.374 10 10 DGCE CCOC(=O)c1cc(C2CCC2)nn1Cc1c(O)cccc1F 2069928080 JDMBDAGKEDMIQK-UHFFFAOYSA-N 318.348 3.220 10 10 DGCE C[C@@H](CNCc1ccc(Br)cc1O)OC(C)(C)C 2072116018 UVKGKQUALDGJSM-JTQLQIEISA-N 316.239 3.448 10 10 DGCE Cc1ccc([C@@H](C(C)C)n2nc(C3CC3)c(CN)c2N)c(O)c1 2079004239 NWSGCTAHGXIRQL-QGZVFWFLSA-N 314.433 3.061 10 10 DGCE COc1ccc(O)c(Cn2nc(C(C)C)c(C(F)F)c2N)c1 2079831134 DJHSKQRIHSLESJ-UHFFFAOYSA-N 311.332 3.289 10 10 DGCE C[C@H]1CNC[C@@H](C)N(Cc2cc(Cl)cc(Cl)c2O)C1 2102880288 NGXFNHBFQFEKSR-VHSXEESVSA-N 303.233 3.129 10 10 DGCE [N-]=[N+]=NCC1(CNC(=O)c2ncc(Cl)cc2Cl)CC1 2117727962 LOFCGEDPQKXSRA-UHFFFAOYSA-N 300.149 3.209 10 10 DGCE C[C@H]1[C@@H](CC(=O)O)CCN1Cc1cc(Cl)cc(Cl)c1O 2153484627 AOWIQHBMULZFQP-DTWKUNHWSA-N 318.200 3.384 10 10 DGCE CC(=O)c1cc(Cl)cc(CN(C)C[C@@H]2CC2(F)F)c1O 2153640938 ZCMXSVYKLHGHTK-JTQLQIEISA-N 303.736 3.335 10 10 DGCE CCCNCc1ccc(N(C)Cc2cnsn2)c(Cl)c1 2167118765 QLNPLPYAVLBKMY-UHFFFAOYSA-N 310.854 3.328 10 10 DGCE CCCN[C@@H]1C[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2[C@H]1Sc1nccs1 2174471534 JZODNNROURATBB-UQPQVDFHSA-N 310.488 3.169 10 10 DGCE C[C@H](O)C[C@H]1CCCCN1c1cc(Cl)c(CN)cc1F 2177385901 SNYBPRULLYOIIC-CMPLNLGQSA-N 300.805 3.068 10 10 DGCE CC1(C)CCC(S(=O)(=O)N2CCC[C@H]2CN=[N+]=[N-])CC1 2239982168 WKDJBXMGFQEKEE-NSHDSACASA-N 300.428 3.060 10 10 DGCE C[C@H](CCNCc1ccc(Br)cc1O)OC(F)F 2261330520 XZVRYRZNYNQLRQ-MRVPVSSYSA-N 324.165 3.262 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)Nc1cc(Cl)ccc1O 2307989553 BMJMDUJTMNZSSA-UHFFFAOYSA-N 305.717 3.109 10 10 DGCE COc1cc(Cl)c(C)cc1N=NN1CCC(C(=O)O)CC1 2330193645 QKJOAHOEXDDGRL-UHFFFAOYSA-N 311.769 3.452 10 10 DGCE CSCCC1CC(N(C)c2ccc(CN)c(F)c2F)C1 2370747846 QEZSPNTZPAQDBD-UHFFFAOYSA-N 300.418 3.391 10 10 DGCE COc1cc(Cl)c(NCc2ccc(O)c(O)c2)cc1OC 37043680 WMDGDVCSAXEGBD-UHFFFAOYSA-N 309.749 3.381 10 10 DGCE COc1ccc2c(c1)NC1(CCNCC1)CN2Cc1ccccc1 76934473 RPVUFPUROOJNRX-UHFFFAOYSA-N 323.440 3.250 10 10 DGCE COc1ccc(N2CCNC[C@H]2c2ccccc2)cc1Cl 86177176 IFKMWLHESFZFPD-INIZCTEOSA-N 302.805 3.500 10 10 DGCE Cc1nc(C[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)no1 92813966 YHXIPQLQGVWUON-GFCCVEGCSA-N 321.808 3.192 10 10 DGCE CC[C@H](N[C@H]1CCCOC1)c1cc(Br)ccc1O 109543683 RCWFITFJZSMEBD-AAEUAGOBSA-N 314.223 3.374 10 10 DGCE CCNCc1ccc(N(C)CC[C@@H](C)O)cc1C(F)(F)F 135584596 PRHZQIZOJVHBKD-LLVKDONJSA-N 304.356 3.022 10 10 DGCE CN(CCO)c1ccc(CNC(C)(C)C)c(C(F)(F)F)c1 167361615 KKAPYWZXMQZIJH-UHFFFAOYSA-N 304.356 3.022 10 10 DGCE CCN(c1ccc(CNC)c(C(F)(F)F)c1)[C@@H](C)COC 167373285 YJBVMQBBTPWNEY-NSHDSACASA-N 304.356 3.286 10 10 DGCE COc1ccc(O)c([C@H](C)NC[C@H]2CCCN2CC(C)C)c1 186162438 VKWXPMNWZBHZGI-LSDHHAIUSA-N 306.450 3.172 10 10 DGCE CNCc1ccc(N(C)[C@@H](C)CSC)cc1Br 234407203 IZNAVUJTHWEJNG-JTQLQIEISA-N 317.296 3.356 10 10 DGCE CN(C(=O)/C=C\c1cnc2ccccc2n1)c1ccc(Cl)cn1 255070216 VRAUSLXGGBDMNV-CLFYSBASSA-N 324.771 3.354 10 10 DGCE COc1ccc(N2CCN(c3nccc4occc34)CC2)cc1 266124231 AZDQCBWQRCFEAP-UHFFFAOYSA-N 309.369 3.163 10 10 DGCE CCOc1ccc(O)c(CN[C@H](C)[C@@H](O)c2ccccc2)c1 288480236 GKJWJBQAHMQURH-FZKQIMNGSA-N 301.386 3.003 10 10 DGCE Oc1cc(F)c(Cl)cc1CN1CCOC[C@H]1CC(F)F 294026334 VGRHEVLQZZKIPQ-SECBINFHSA-N 309.715 3.041 10 10 DGCE CCN(Cc1ccccc1)c1cc2c(cc1Cl)[C@H](N)C(=O)N2 309572019 HNJYYHGSJBCACV-INIZCTEOSA-N 315.804 3.318 10 10 DGCE C[C@H](NC/C=C\CNC(=O)OC(C)(C)C)c1ccc(F)cc1O 390788020 ZZHVEQKMGFEFSJ-FJOGCWAESA-N 324.396 3.263 10 10 DGCE Cc1ccncc1/C=C/C(=O)N(C[C@@H]1CCCO1)c1ccncc1 492496092 ZTQXBVUFBLENDA-WRFKIARRSA-N 323.396 3.010 10 10 DGCE C[C@H](NCc1ccc(Br)cc1O)[C@H]1CCCCO1 691467559 IEMDSQRDDNTSMM-IINYFYTJSA-N 314.223 3.202 10 10 DGCE C[C@@H](NCc1cc(Cl)cc(Cl)c1O)c1cn(C)cn1 710151088 ZIBLDBKXZBDRCQ-MRVPVSSYSA-N 300.189 3.283 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H]1CCC[C@H]1O 742775074 PLICUWAWPAUMDO-DZGCQCFKSA-N 318.442 3.046 10 10 DGCE C[C@@H](NC[C@H]1COc2ccccc2O1)c1cc(F)cc(F)c1O 756352496 TYYXZCAGDJMADZ-PWSUYJOCSA-N 321.323 3.161 10 10 DGCE CC(C)Cn1ccnc1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O 756596382 CIWDXCRXMXZLGB-LBPRGKRZSA-N 318.377 3.004 10 10 DGCE C[C@@H]1C[C@H](NC[C@@H](CO)c2ccccc2)c2c(O)ccc(F)c21 756632991 GKGHMPKXOXYLFR-INWMFGNUSA-N 315.388 3.445 10 10 DGCE Cc1ccc(/C=C\S(=O)(=O)Nc2ccc(O)c(C)c2)cc1 771220565 XYCQSHDFZJNDFJ-KTKRTIGZSA-N 303.383 3.422 10 10 DGCE C[C@@]1(c2ccc(F)cc2)CCN(C(=O)c2cc(O)cs2)C1 796511138 QLYGCHBFWVQFIU-MRXNPFEDSA-N 305.374 3.397 10 10 DGCE CCc1cccc(CNc2ccc3c(c2)CCN(C)C3=O)c1O 827044486 NIQISUDEFQQXNU-UHFFFAOYSA-N 310.397 3.195 10 10 DGCE CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)c2ccccc2O)c1C 827984719 DGNWKHFEAFAGFL-JTQLQIEISA-N 300.358 3.031 10 10 DGCE Cc1cc(CN[C@@H]2CCOC[C@@H]2C)ccc1N1CCCCC1 829244339 WMUBNPZUFKRKBX-FUHWJXTLSA-N 302.462 3.500 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)C1CC2(C1)CC2(F)F 830559030 HCAVFXSFRAOGGC-UHFFFAOYSA-N 321.367 3.323 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1C[C@@H]1C(F)F 839921016 GHSIFWYEGXXZTH-CQDKDKBSSA-N 310.388 3.009 10 10 DGCE Cc1cc(N(C)C)ccc1CN[C@H](C)[C@](C)(O)c1ccccc1 846043062 JIJFZTRUGODAHK-UZLBHIALSA-N 312.457 3.447 10 10 DGCE CC[C@@H](NCC(C)(C)C(=O)N1CCCC1)c1ccccc1O 858540628 KFAZMBNMXLZTCE-OAHLLOKOSA-N 304.434 3.082 10 10 DGCE Cc1cc(C(=O)NCC2COC2)c(C)n1-c1cccc(Cl)c1 863352522 FTGLPUSNTFSJQQ-UHFFFAOYSA-N 318.804 3.124 10 10 DGCE COc1cccc([C@@H](C)Nc2cccc(-n3nccn3)c2)c1O 864023193 PIRAUHPAXHGBPV-GFCCVEGCSA-N 310.357 3.155 10 10 DGCE C[C@@H]1C[C@@H](N[C@H]2CCCn3nccc32)c2c(O)ccc(F)c21 866634497 ROYHNIAZFLXLCE-KGYLQXTDSA-N 301.365 3.401 10 10 DGCE CCOC1CC2(C1)C[C@@H]2C(=O)N[C@H](C)c1ccc(N(C)C)cc1 867505461 VJTQPQJJYQGHJT-BMJNKSMYSA-N 316.445 3.135 10 10 DGCE COc1ccc(CNC(=O)N[C@H](C)[C@]23CCCC[C@@H]2C3)c(O)c1 868939410 SSCOSAYBDDYOEV-RVZJWNSFSA-N 318.417 3.169 10 10 DGCE Oc1c(CN2CCO[C@@H](C(F)F)CC2)ccc2ccccc12 872257049 JONQIJPFLDKYJI-OAHLLOKOSA-N 307.340 3.401 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)N1CCO[C@@H](C)CC1 928533547 SQECCQXLTHLYAB-AWEZNQCLSA-N 318.442 3.407 10 10 DGCE CN(C)c1ccc(CNC(=O)c2cc3c(o2)CCCC3)cc1F 1125534808 NQXLWPLJNXIXMT-UHFFFAOYSA-N 316.376 3.294 10 10 DGCE Cc1ccc(NC(=O)c2cc3cc(O)c(O)cc3s2)cn1 1150000363 KMAYSGQCIKDYMO-UHFFFAOYSA-N 300.339 3.268 10 10 DGCE C[C@H](C(=O)NCc1ccc(O)cc1O)c1cn(C)c2ccccc12 1162277951 DZANZLGEWXRZEZ-LBPRGKRZSA-N 324.380 3.009 10 10 DGCE O=C(NCc1cc(O)ccc1O)c1cc2ccc(F)cc2s1 1176748408 RQCKFMNYIHFDDJ-UHFFFAOYSA-N 317.341 3.382 10 10 DGCE C[C@@H]1C[C@@H]1n1c(-c2ccc[nH]2)nnc1N(C)Cc1ccccc1O 1291038516 PWUWKFFXARUOOX-DOMZBBRYSA-N 323.400 3.196 10 10 DGCE C[C@@H](NC(=O)c1ccnc(C(F)(F)F)c1)c1ccccc1O 1302533066 ZOGIVZMKPBLONY-SECBINFHSA-N 310.275 3.297 10 10 DGCE Cc1cn(CC(=O)NCc2c(O)cccc2F)c2ccccc12 1471974771 JOYDLJHJSOYUBM-UHFFFAOYSA-N 312.344 3.111 10 10 DGCE COc1ccc2c(c1)C[C@@H](C(C)C)CN2C[C@@H](O)C(F)(F)F 1473570046 NQTQHDUAIAGBNQ-IUODEOHRSA-N 317.351 3.253 10 10 DGCE CCN(C)c1ccc(CN2CC[C@@]3(C(=O)OC)CCC[C@@H]23)cc1 1473777173 JHUCJZVUEVRMLV-MJGOQNOKSA-N 316.445 3.060 10 10 DGCE CC[S@](C)(=O)=NC(=O)Cc1cc(C)n(-c2ccccc2)c1C 1626290171 VQVHURFGRPLVIG-QFIPXVFZSA-N 318.442 3.281 10 10 DGCE COC(=O)c1ccccc1CSc1ncc([N+](=O)[O-])s1 1640127097 OHOQZEJHFLHHJK-UHFFFAOYSA-N 310.356 3.130 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N[C@@H](c2ccncc2)C2CC2)cc1 1640204155 QGTXICQYGHPYMO-OAHLLOKOSA-N 323.356 3.125 10 10 DGCE COc1ccc(CNC[C@@H](C)NC(=O)CCC2(C)CC2)cc1C 1715953275 RSOUGKKEMBUFDV-OAHLLOKOSA-N 318.461 3.178 10 10 DGCE Oc1c(Br)cccc1CN[C@H]1C(F)(F)C12CC2 1876228353 LRJQAAXBBLQIMX-SNVBAGLBSA-N 304.134 3.042 10 10 DGCE CN(CCCN=[N+]=[N-])CCOc1ccc(Br)cc1 1912154923 FFDHTYGGNIOKQE-UHFFFAOYSA-N 313.199 3.460 10 10 DGCE CN(Cc1cnn(Cc2ccccc2)c1)c1ccc(CO)cc1 1915012859 XDLVHRPMYJKNGC-UHFFFAOYSA-N 307.397 3.060 10 10 DGCE CN[C@@H](c1ccccc1O)[C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 1936976519 TXRCXUBLTGZQKX-BLLLJJGKSA-N 320.433 3.156 10 10 DGCE CN1C(=O)[C@@H](N)c2ccc(N(Cc3ccccc3)C3CCC3)cc21 1946887338 UQDDOTJMRPSPSW-IBGZPJMESA-N 321.424 3.222 10 10 DGCE C[C@H]1CCN(c2ccc(CN)cc2Br)C[C@H]1F 1946916169 AFNRHOOXOANLQY-JOYOIKCWSA-N 301.203 3.092 10 10 DGCE CC1(F)CCN(c2ccc(CO)c(Br)c2)CC1 1946949416 BZPOVRHDAOWTRQ-UHFFFAOYSA-N 302.187 3.270 10 10 DGCE CC(C)(C)OC(=O)N1CCC2(CC1)CN(CCCCN=[N+]=[N-])C2 1982245381 GUFNYPDAFKUAMC-UHFFFAOYSA-N 323.441 3.410 10 10 DGCE CC(C)C[C@@H](CNCc1ccc(N)cc1)NC(=O)OC(C)(C)C 1983573770 XTMPBYDXSJVOAY-INIZCTEOSA-N 321.465 3.298 10 10 DGCE Cc1ccc(NC(=O)OC(C)(C)C)c(C(=O)NCCN=[N+]=[N-])c1 1985103075 PSVLVILXKZDNHO-UHFFFAOYSA-N 319.365 3.382 10 10 DGCE CN[C@H]1CCc2cc(N(Cc3ccccc3)C3COC3)ccc21 1986606380 LXKIVQWREDNBAN-FQEVSTJZSA-N 308.425 3.299 10 10 DGCE O=C(c1cccc2c1NCC2)c1ccnn1Cc1ccccc1 1994359487 VBNPNARNZGIYIJ-UHFFFAOYSA-N 303.365 3.130 10 10 DGCE Cc1ccc(CNCC[C@H](C)N(C)C(=O)OC(C)(C)C)c(O)c1 1994458331 REECVMSRGSFDRX-AWEZNQCLSA-N 322.449 3.436 10 10 DGCE CCc1nn(Cc2cccc(Br)c2O)c(N)c1CC 2079644528 VAMSZRGHWUSJMB-UHFFFAOYSA-N 324.222 3.107 10 10 DGCE O=Cc1sc(C2CCC2)c(I)c1O 2080421685 ZLFCPAVGHVBFTO-UHFFFAOYSA-N 308.140 3.138 10 10 DGCE CN[C@H](c1ccccc1O)[C@H](O)c1ccccc1Br 2091864103 RFYUKQOQQPDNDO-HUUCEWRRSA-N 322.202 3.149 10 10 DGCE O=C(O)c1ccnc(Sc2ncc(C(F)(F)F)s2)c1 2099852635 GITKAVFSZSGSSQ-UHFFFAOYSA-N 306.290 3.406 10 10 DGCE CP(C)(=O)[C@H]1CCCN(c2ccc(CO)c(Cl)c2)C1 2103080037 RXRJOYDZIGPORD-ZDUSSCGKSA-N 301.754 3.424 10 10 DGCE OCc1ccc(N2CC(SC(F)F)C2)cc1C(F)(F)F 2196691870 FVWZOOOPIAWISV-UHFFFAOYSA-N 313.291 3.342 10 10 DGCE C[C@@H](N)c1ccc(N(C)C[C@@]2(C)CSCCO2)cc1Cl 2201254912 PIOAYAIGDRMEID-ABAIWWIYSA-N 314.882 3.318 10 10 DGCE CC[C@H](C)C[C@](CSc1nccs1)(NC(C)C)C(=O)O 2207913635 BTWLSAQWWYABFD-SMDDNHRTSA-N 316.492 3.493 10 10 DGCE COc1ccc(Br)c(CNC[C@H]2CC[C@@H]2C)c1O 2220607828 OTOUMVZDNXHMBB-VHSXEESVSA-N 314.223 3.299 10 10 DGCE CN1CCCN(C(=O)C=Cc2cccnc2)c2cc(F)ccc21 2297626266 OLTOCAVQCSIHPR-UHFFFAOYSA-N 311.360 3.107 10 10 DGCE COc1ccc2c(c1)CCN2C(=O)C=Cc1ccc(Cl)nc1 2304367949 IWBFICJPVVGXEL-UHFFFAOYSA-N 314.772 3.346 10 10 DGCE CO[C@@H]1CCN(Cc2ccc(C)c(Br)c2O)[C@@H]1C 2327568591 SEQFXNPRIPUEAT-ZYHUDNBSSA-N 314.223 3.072 10 10 DGCE Cc1ccc(CNC(=O)[C@]23CCC[C@H]2C3)c(O)c1Br 2352638219 VNNQSIFJVZFWPL-NHYWBVRUSA-N 324.218 3.270 10 10 DGCE [N-]=[N+]=NCCCN[C@@H](C(=O)O)c1cc(F)c(Cl)cc1F 2362453290 VAEGWEFCLYQWON-SNVBAGLBSA-N 304.684 3.034 10 10 DGCE COc1ccc(NCc2ccc(O)c(O)c2)cc1Br 88318174 VLXOQBOLBUQDTM-UHFFFAOYSA-N 324.174 3.481 10 10 DGCE CCCOc1ccc(CN2CC[C@H](OCC(C)C)C2)c(O)c1 91964499 KROBCXWAYNVXLL-KRWDZBQOSA-N 307.434 3.428 10 10 DGCE COc1ccc(-n2c(C)cc(CNC[C@@H]3CCCO3)c2C)cc1 113704483 ZTTFZITYXIYBGX-IBGZPJMESA-N 314.429 3.371 10 10 DGCE CCC[C@H](NCc1cccc(OC)c1O)C(=O)OC(C)(C)C 156569393 RXXDVUWRTCYQTM-ZDUSSCGKSA-N 309.406 3.001 10 10 DGCE CC(=O)c1cc(F)cc(CN[C@H](c2nccs2)C2CC2)c1O 185446756 HDAUWXHWFSNKDP-AWEZNQCLSA-N 320.389 3.431 10 10 DGCE COc1ccc(C)cc1NC(=S)NCc1ncccc1C 243282037 LBAMXMIOCHXQRD-UHFFFAOYSA-N 301.415 3.194 10 10 DGCE O=C(/C=C\c1ccc(N2CCOCC2)cc1)Nc1ccsc1 255368287 LFVSEXNKWNYOEI-UTCJRWHESA-N 314.410 3.237 10 10 DGCE C[C@H](N[C@H](C)Cn1cncn1)c1ccc(Cl)c(Cl)c1O 273551125 FXRMHHNTEPEYLW-BDAKNGLRSA-N 315.204 3.030 10 10 DGCE Oc1ccc(-c2nc3cccc(Br)c3[nH]2)cc1O 380956684 AAGXHVFNHSUNKS-UHFFFAOYSA-N 305.131 3.404 10 10 DGCE CN[C@@H](C)c1ccc(N(C)C[C@H](C)OC)c(Br)c1 384975577 MBOCTPLJHVNCMJ-QWRGUYRKSA-N 315.255 3.201 10 10 DGCE C[C@H](CNCc1ccc(O)c(O)c1)COCc1ccccc1 389948950 VTYPRRXBKVJIIY-CQSZACIVSA-N 301.386 3.040 10 10 DGCE CC(C)NCc1ccc(N(C)[C@@H](C)C[S@@](C)=O)c(Cl)c1 398878283 GGHBPZLUEZIWGX-FKIZINRSSA-N 316.898 3.041 10 10 DGCE COc1ccc(-c2noc(/C=C\c3ccc(O)c(O)c3)n2)cc1 588458105 UKGOAGHHZJPSMD-OQFOIZHKSA-N 310.309 3.327 10 10 DGCE COc1ccc2c(c1)N[C@](C)(C(C)C)CN2C[C@H](C)C(N)=S 606610982 YDPMYYQNTWGHEM-SJCJKPOMSA-N 321.490 3.264 10 10 DGCE CC[C@@H]1COC[C@H]1N(C)Cc1cc(Br)ccc1O 688186035 CXERMSIYJATINL-ZWNOBZJWSA-N 314.223 3.012 10 10 DGCE Cc1ccc(C[C@@H](O)Cc2ccc(N)cc2)cc1Br 696583290 HHGYOSUQEWFGLR-HNNXBMFYSA-N 320.230 3.486 10 10 DGCE Cc1cccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)c1O 704625669 VMXRGIPUTXLZMF-DZGCQCFKSA-N 320.433 3.188 10 10 DGCE c1cc(N2CCOCC2)ccc1CN1C2CCCC1CCC2 769498540 KMKBOMVQVQJUES-UHFFFAOYSA-N 300.446 3.430 10 10 DGCE COc1nn(C)cc1NC(=O)c1ccc(-n2c(C)ccc2C)cc1 789862018 SODJZWLKAOEDAO-UHFFFAOYSA-N 324.384 3.089 10 10 DGCE C[C@@H]1[C@H](C(=O)NCc2ccc(N(C)C)cc2)[C@@H]1c1ccccc1 797422890 ZXMWTHUVPLTXBR-JVPBZIDWSA-N 308.425 3.419 10 10 DGCE FC(F)Oc1nccnc1NCCCSc1nccs1 807973615 GVIAAQNMPWWOGP-UHFFFAOYSA-N 318.374 3.129 10 10 DGCE Cc1cc(N(C)C)ccc1CN[C@@H]1CCC[C@H]1[C@H]1CCCCN1 817893623 GHQGAXHROMKICN-XUVXKRRUSA-N 315.505 3.461 10 10 DGCE Cc1cc(CN2CCC(=O)[C@@H](C)C2)ccc1N1CCCCC1 828964846 ITCMBORPZVNRGV-INIZCTEOSA-N 300.446 3.396 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCO[C@@H](C(F)(F)F)C2)cc1 835025878 MICGULCIEYDTHJ-NHZBNJEXSA-N 314.351 3.029 10 10 DGCE Cc1cc(O)c(CNc2cnn(CC(F)F)c2)c(Cl)c1 840905807 AYIMYQBBHSAYSW-UHFFFAOYSA-N 301.724 3.428 10 10 DGCE COc1ccc(N2CC[C@H](NCc3c(F)cccc3F)C2)cc1 850346358 SEKVNSHELFRRLN-ZDUSSCGKSA-N 318.367 3.342 10 10 DGCE C[C@@H]1C[C@@H]2C[C@H]2C[C@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 1125534090 BAAWTQPHJWCBDB-REBRKWNGSA-N 304.409 3.190 10 10 DGCE C/C(=C/c1ccncc1)C(=O)Nc1c(Cl)ccc2nonc12 1128704795 YSZARLXRTPJTKE-HJWRWDBZSA-N 314.732 3.313 10 10 DGCE CC(C)Nc1cc(F)ccc1NC(=O)c1cccc(O)c1O 1136875243 YZCBKFLZAMWVQW-UHFFFAOYSA-N 304.321 3.310 10 10 DGCE CC[C@@H](C)N(C)Cc1c(Br)ccc(OC)c1O 1231549468 BANWRFQPFWFCTI-SECBINFHSA-N 302.212 3.394 10 10 DGCE COc1ccc(CNC[C@H](C)NC(=O)CCC2(C)CC2)cc1C 1275392221 RSOUGKKEMBUFDV-HNNXBMFYSA-N 318.461 3.178 10 10 DGCE O=C(NCc1cccc(Cl)c1O)c1cc(F)ccc1[N+](=O)[O-] 1305069269 APGWYKZIRWENOV-UHFFFAOYSA-N 324.695 3.023 10 10 DGCE Cc1cc(CC(=O)OCc2cnccn2)c(C)n1-c1ccccc1 1435245170 QTTIUEPWTRKOLC-UHFFFAOYSA-N 321.380 3.170 10 10 DGCE CN(Cc1ccccc1O)C(=O)NC[C@H]1C[C@@H]1C1CCCC1 1521349529 KBLNQECYJUPOMQ-HZPDHXFCSA-N 302.418 3.360 10 10 DGCE CCCCCC[C@H](O)CCC(=O)NCc1cc(C)ccc1O 1584989088 PIVORGWJYIVUPG-INIZCTEOSA-N 307.434 3.428 10 10 DGCE Cc1cc(N2Cc3cccc(O)c3C2)nc(-c2cccnc2)n1 1612800400 YOUWPRZAYXIPGX-UHFFFAOYSA-N 304.353 3.073 10 10 DGCE Cc1ccc([N+](=O)[O-])c(C(=O)NCc2cc(Cl)ccc2O)c1 1628667018 ODNFSAXRJIEYIP-UHFFFAOYSA-N 320.732 3.192 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H]1c1ccc(F)cc1 1629152986 OEPTZKASRMIQEZ-HNNXBMFYSA-N 315.344 3.143 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2cc3c(cc2O)CCCC3)c1 1641732414 AMCSBVCRYWEQMK-UHFFFAOYSA-N 311.381 3.215 10 10 DGCE O=C(CC[C@@H]1CCc2ccccc21)NCc1c(O)cccc1O 1645362729 AOTPNDLUWNAOBZ-AWEZNQCLSA-N 311.381 3.224 10 10 DGCE COc1ccc(CN[C@@H](C)CNC(=O)[C@H](C)C2CCC2)cc1C 1714247029 OIMHKJMVDZXCLP-LSDHHAIUSA-N 318.461 3.034 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN(S(=O)(=O)c2ccsc2Cl)C1 1912145305 FTYKSBUCBFRRFY-MRVPVSSYSA-N 320.827 3.113 10 10 DGCE C[C@@H](N)c1ccc(N(Cc2ccccc2)[C@@H](CO)C2CC2)cc1 1915190087 VHNAPTPOZGSTLP-QRWLVFNGSA-N 310.441 3.484 10 10 DGCE CCNCc1ccc(N2CC(C)(F)C2)c(Br)c1 1944796536 FLNKCXIMPDNTFJ-UHFFFAOYSA-N 301.203 3.107 10 10 DGCE CN(CCCN=[N+]=[N-])[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 1962287207 GOQPYUADPRTOBK-ZDUSSCGKSA-N 311.430 3.408 10 10 DGCE Oc1ccc(Br)cc1CNCCOCCC1CC1 1974165893 KTKGVTSTQLOSHP-UHFFFAOYSA-N 314.223 3.061 10 10 DGCE CCCN(C(=O)OC(C)(C)C)[C@H](C(=O)O)c1c(C)cccc1O 1976874207 TYRKJLWERVTLRL-AWEZNQCLSA-N 323.389 3.473 10 10 DGCE C[C@H](O)c1cc(F)c(N(Cc2ccccc2)C2COC2)c(F)c1 1990407816 VPANQQQUSPISBJ-LBPRGKRZSA-N 319.351 3.424 10 10 DGCE C[C@@H](N)c1ccc(N2CCC[C@@H]2CF)cc1Br 2004420531 QJMXDNNBTKPUEV-MWLCHTKSSA-N 301.203 3.407 10 10 DGCE CNCc1ccc(N(C)CC2[C@@H]3CC[C@@H]23)c(Br)c1 2041991113 RLVNGNJGLZJWFL-VXGBXAGGSA-N 309.251 3.261 10 10 DGCE C[C@H]1CC(F)(F)CN1c1cc(Br)c(CN)cc1F 2052001019 OIPFPDYAKUFBBV-ZETCQYMHSA-N 323.156 3.281 10 10 DGCE COc1cccc(O)c1[C@@H](C)n1nc(C(C)C)cc1CN(C)C 2070135192 VHYFMHRVXBEART-CYBMUJFWSA-N 317.433 3.392 10 10 DGCE Nc1cccc(Br)c1N[C@H]1c2ccccc2C[C@@H]1O 2119877889 YQNIABGZZZUNQD-KBPBESRZSA-N 319.202 3.102 10 10 DGCE C[C@@H]1SC[C@H]([C@H](O)c2ccc3c(c2)CCN3C)S[C@H]1C 2163063869 TWTCBJCHFDGGIZ-DPDCMNJDSA-N 309.500 3.338 10 10 DGCE Cc1csc([C@H](NN)c2ccc3c(c2)CCN3C)c1Cl 2163148744 AOAZKAGHIFZRAC-CQSZACIVSA-N 307.850 3.255 10 10 DGCE CCC[C@@H](COC)N(C)Cc1cc(Cl)cc(OC)c1O 2165952861 CCSZLXMVEPTBRP-ZDUSSCGKSA-N 301.814 3.301 10 10 DGCE CN(Cc1cnsn1)c1ccc(CNC2CC2)cc1Cl 2167119169 WDAHHTJOEHLVLT-UHFFFAOYSA-N 308.838 3.080 10 10 DGCE C[C@H](c1cc(Cl)ccc1O)N(C)[C@H]1COCCC1(F)F 2168228697 XKSYNHGXWSDBHO-RNCFNFMXSA-N 305.752 3.463 10 10 DGCE CO[C@@H]1CN([C@@H](C)c2cc(Cl)ccc2O)CC(F)(F)C1 2185147134 MLLXAIYRAKPWTK-ONGXEEELSA-N 305.752 3.463 10 10 DGCE C[C@H](N)c1ccc(N(CC(F)(F)F)C2COC2)cc1Cl 2196630852 RVHYLGYDWLXDSS-QMMMGPOBSA-N 308.731 3.127 10 10 DGCE Nc1ncc(F)cc1OCc1cscc1Br 2211027906 QBVDIUCIILNDLF-UHFFFAOYSA-N 303.156 3.206 10 10 DGCE CC(C)n1nc(Br)cc1[C@@H](O)Cc1ccc(N)cc1 2224291387 CPSPBJNVMMGXGT-ZDUSSCGKSA-N 324.222 3.085 10 10 DGCE CC[C@H]1CN[C@@H](C(C)(C)C)CN1Cc1cnc(SC)s1 2284675776 CYNJTEIZFOUYPN-WCQYABFASA-N 313.536 3.464 10 10 DGCE O=C1NC(=S)SC1=Cc1cnc(-c2cccs2)s1 2297853339 TYNUGIBJZUZQIN-UHFFFAOYSA-N 310.450 3.360 10 10 DGCE Cc1cc(C=CC(=O)N2CCC[C@@H](N)C2)c(C)n1-c1ccccc1 2301556973 NMXFAMSMKNXHMB-GOSISDBHSA-N 323.440 3.057 10 10 DGCE O=C1CC[C@@H]2CN(C(=O)C=Cc3cncc(F)c3)c3cccc1c32 2309215420 XAVUPNLKJOZRNV-CYBMUJFWSA-N 322.339 3.341 10 10 DGCE CN(c1ccc(CO)cc1Br)[C@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21 2330297276 AOAIPPMITXBXIY-MXOJCPGVSA-N 322.246 3.422 10 10 DGCE CCC1=NN(Cc2ccc(F)cc2)C(=O)C1=Cc1ccncc1 2332129433 BIVNGNADYLBXKP-UHFFFAOYSA-N 309.344 3.413 10 10 DGCE Cc1ccc(CNCc2cccc(O)c2)c(O)c1Br 2352932404 MMTKIIMCCDFJPU-UHFFFAOYSA-N 322.202 3.459 10 10 DGCE CC(C)N[C@@](CO)(CSc1nccs1)[C@@H]1CC12CCC2 2371154810 PZVZMASJOPMUDB-DOMZBBRYSA-N 312.504 3.155 10 10 DGCE CCCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)SC1=S 35678064 FCJCZGSWJFPWKU-UKTHLTGXSA-N 323.439 3.315 10 10 DGCE CN(C)C(=O)c1cc(NCc2ccccc2O)ccc1Cl 37032939 VVLUQUIEKHPDCJ-UHFFFAOYSA-N 304.777 3.360 10 10 DGCE COc1ccc(C2=NN[C@@H](c3ccc(N(C)C)cc3)S2)cc1 59517908 WPPQNVCBRUEAHQ-MRXNPFEDSA-N 313.426 3.458 10 10 DGCE CCN[C@H](CSc1nccs1)c1ccc2c(c1)OCO2 81889461 HNKPTROCNXNPBZ-LLVKDONJSA-N 308.428 3.315 10 10 DGCE CC(C)[C@H](NCc1ccc(N(C)C)cc1)c1nnc2ccccn12 101930087 GSUFVBMXHBPMLN-SFHVURJKSA-N 323.444 3.282 10 10 DGCE CC[C@@H]1CN(c2ccc(CNC(C)C)cc2Cl)CCN1C 164076247 NHZWMXKKNJDLAB-OAHLLOKOSA-N 309.885 3.368 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)C(=O)Nc1nc2ccccc2o1 170032339 UFQRQJMFKMUDNY-JTQLQIEISA-N 312.325 3.056 10 10 DGCE COc1cc(O)c(CN2CCC[C@H](C(F)(F)F)C2)cc1OC 179433405 IXEIWZVULBBZQG-NSHDSACASA-N 319.323 3.184 10 10 DGCE COc1c(CN(C)c2ccc(OC(C)C)cc2)c(C)nn1C 192036997 HOMZNEMMZCVZIM-UHFFFAOYSA-N 303.406 3.161 10 10 DGCE CC(C)OCCN(C)Cc1cc(Br)ccc1O 211619130 GFFKMIBPAAUBDU-UHFFFAOYSA-N 302.212 3.012 10 10 DGCE NCc1ccc(N2Cc3ccccc3C2)cc1Br 228151440 NBCSLEFXMOYBNC-UHFFFAOYSA-N 303.203 3.428 10 10 DGCE Cc1ccc2c(c1)C(=O)N(c1cc(Cl)c(N)cc1C)C2=O 229134433 NMXRZVLYZUMZNV-UHFFFAOYSA-N 300.745 3.340 10 10 DGCE CC[C@@H](NCc1cccnn1)c1cc(Br)ccc1O 233905321 AENGDUQSEFINBM-CYBMUJFWSA-N 322.206 3.186 10 10 DGCE CC(C)(C)OC(=O)N1CCC([C@@H](N)c2ccccc2O)CC1 259980532 SEEBJZKTVSSLIS-OAHLLOKOSA-N 306.406 3.039 10 10 DGCE CCOc1ccc(O)c(CN2CCCC[C@H]2c2nc(C)no2)c1 289666638 DDIQQXVBNPOHTP-HNNXBMFYSA-N 317.389 3.210 10 10 DGCE C[C@@H](CN(C)Cc1ccccc1)N[C@@H]1CCc2cccc(O)c21 309696838 DSSPEYWAPNZCCC-MAUKXSAKSA-N 310.441 3.490 10 10 DGCE CC[C@@H](C)N(Cc1ccccc1)c1ccc2c(c1)N(C)C(=O)[C@H]2N 387265748 SBGAFPAGSZVVLI-KUHUBIRLSA-N 323.440 3.468 10 10 DGCE CNC[C@H]1CCN(c2ccc(OC(F)(F)F)c(Cl)c2)C1 401193875 CVOKEFXVWUJPHM-SECBINFHSA-N 308.731 3.284 10 10 DGCE Cc1ccc(C(=O)N[C@H](c2ccccn2)C2CCC2)c(O)c1O 529827254 OXFWOLDGFNICOF-HNNXBMFYSA-N 312.369 3.072 10 10 DGCE C[C@@H](O)c1ccc(N2CCO[C@H](C(F)(F)F)C2)cc1Cl 698774637 RXKZYFONGRDXFB-PELKAZGASA-N 309.715 3.161 10 10 DGCE Nc1cccc(Br)c1N[C@@H](CO)C1CCCCC1 700061458 IBEZFSZBGJYGJO-ZDUSSCGKSA-N 313.239 3.384 10 10 DGCE CCN(Cc1c(O)cccc1Br)[C@@H]1CCCOC1 707131028 FXIJKPKIBHJGDP-LLVKDONJSA-N 314.223 3.156 10 10 DGCE Oc1ccc(Cl)cc1CNCCc1cnc(C2CC2)nc1 756035125 SGTDIBCUCRTKPM-UHFFFAOYSA-N 303.793 3.045 10 10 DGCE O=C(O)[C@H](CC1CCCC1)NCc1c(O)ccc(Cl)c1F 756388520 PDBVCSIELLXZNA-LBPRGKRZSA-N 315.772 3.308 10 10 DGCE Cc1cc(C[C@H](C)N[C@@H]2C[C@H](C)c3c(F)ccc(O)c32)n[nH]1 756764333 GGSHYFICUVYOAF-PKFCDNJMSA-N 303.381 3.332 10 10 DGCE COC(=O)/C=C\c1ccc(N2CC[C@H](C3CC3)C2)c([N+](=O)[O-])c1 764186568 HQOOGWKOKNHMSN-UMSKNGNOSA-N 316.357 3.017 10 10 DGCE CCOc1ccc(CNc2cccc(-c3nc[nH]n3)c2)c(O)c1 770412320 XXILJGBMQNQOIZ-UHFFFAOYSA-N 310.357 3.188 10 10 DGCE Cc1ccc(/C=C\C(=O)N2C[C@H](C)Oc3c(F)cccc32)cn1 775423364 YQAHGYXKVUZTAF-YXVBKTCISA-N 312.344 3.356 10 10 DGCE CN(Cc1cc(F)ccc1O)[C@@H]1CCN(Cc2ccccc2)C1 778996707 XSIZJXOWALBNIZ-GOSISDBHSA-N 314.404 3.238 10 10 DGCE O=C(c1cccc(O)c1O)N1CCC(F)(c2ccccc2)CC1 790092155 DDNLCHBRXUVCBC-UHFFFAOYSA-N 315.344 3.199 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)C[C@H]2CCC(F)(F)C2)c1 797942944 LTJZTRMIFRJQKW-GHMZBOCLSA-N 313.344 3.404 10 10 DGCE CCCCN(CC(=O)NC(C)(C)CC)Cc1ccccc1O 801597764 OEJLRKNUHZDHIN-UHFFFAOYSA-N 306.450 3.299 10 10 DGCE CSc1cc(C(=O)OCC(=O)C(C)=O)c(Cl)cc1Cl 808526464 QUVLXYVZOXBANT-UHFFFAOYSA-N 321.181 3.030 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)N[C@H]1CO[C@H](C2CC2)C1 826123994 YASBWKRFEZRXJS-YJLNNSPDSA-N 302.462 3.149 10 10 DGCE C[C@H](NC(=O)[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1O 827964758 UEAMMYHWKJQDKY-RDJZCZTQSA-N 324.424 3.092 10 10 DGCE CC(C)[C@H]1C[C@@H](CN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)CCO1 834884771 CTJZAVHGVWJUFT-GDZNZVCISA-N 322.405 3.402 10 10 DGCE C[C@H](N[C@H]1COCC1(C)C)c1cccc(C(F)(F)F)c1O 834903927 MGZOPFBYMUDYEK-CABZTGNLSA-N 303.324 3.487 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)Nc3ccccc3)C2)cc1 849225654 YJSQEFFXJFVCFZ-OAHLLOKOSA-N 311.385 3.096 10 10 DGCE COc1cc(CN[C@@H]2CCOC[C@@H]2C)c(O)c(C(C)(C)C)c1 850279270 WUKLVYYTYQXPGH-BLLLJJGKSA-N 307.434 3.213 10 10 DGCE COc1ccc(N2CC[C@H](N[C@H](C)c3cncc(F)c3)C2)cc1 850347334 QJWXYMCDMPZMCL-CJNGLKHVSA-N 315.392 3.159 10 10 DGCE CN(C)c1ccc(CNC[C@@H]2Cc3ccccc3CO2)cc1F 858211422 HZRCDILIQXXKHQ-KRWDZBQOSA-N 314.404 3.123 10 10 DGCE CCc1ccccc1OCCC(=O)N1Cc2cccc(O)c2C1 871205813 YWGWHFPWSIAZHO-UHFFFAOYSA-N 311.381 3.266 10 10 DGCE CN(C)c1ccc(CNC(=O)c2ncsc2C2CC2)cc1F 878532928 ZYMHQAMGMQIMFX-UHFFFAOYSA-N 319.405 3.156 10 10 DGCE c1cc(N2CCCCC2)ccc1CN[C@H]1COC[C@H]1C1CC1 898385878 GSUQDGHJUBDYIG-OALUTQOASA-N 300.446 3.192 10 10 DGCE COc1ccc(N(C)C[C@H]2CC[C@@H](C(F)(F)F)O2)cc1OC 929349136 ZYJOHDXZGYZNDH-RISCZKNCSA-N 319.323 3.250 10 10 DGCE Cc1ccc(C)n1-c1cc(C(=O)OCc2ccccc2)n(C)n1 1088742486 MTAXHENDSPFSQF-UHFFFAOYSA-N 309.369 3.185 10 10 DGCE c1cc(N2CCCC2)ccc1CN1CCCC[C@]2(CCNC2)C1 1119610862 IJHJXAORXUUVLL-HXUWFJFHSA-N 313.489 3.252 10 10 DGCE C[C@@H](NC(=O)c1cccc2c1OC(F)(F)O2)c1ccccc1O 1171723222 OVEIZHLRDXLDJZ-SECBINFHSA-N 321.279 3.205 10 10 DGCE COc1ccc(N(C)CCN(C)C[C@H]2CC[C@@H](C3CC3)O2)cc1 1171730489 WLLMJECRCRMTEC-MOPGFXCFSA-N 318.461 3.021 10 10 DGCE Cc1ccc(C(C)(C)C(=O)NCc2c(O)cccc2F)cc1 1456093815 OJJQZKJOFKFZER-UHFFFAOYSA-N 301.361 3.434 10 10 DGCE O=C(CCc1nccs1)NCc1c(O)ccc2ccccc12 1456310755 MISDAHBIESLEBA-UHFFFAOYSA-N 312.394 3.251 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2CCc1ccccc1F 1459875584 MAEZKVHDGMRISU-UHFFFAOYSA-N 300.377 3.333 10 10 DGCE Cc1ccc(/C=C\C(=O)N2CCOc3cc(F)c(F)cc32)cn1 1537928978 VAQAGENAISCBMB-PLNGDYQASA-N 316.307 3.107 10 10 DGCE C[C@@H]1C[C@@H]2C[C@H]2C[C@H]1C(=O)NCc1ccc2c(c1)CCCN2C 1626941110 UEAANNZQYSLPPB-NKGKWGDASA-N 312.457 3.367 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2C[C@H](O)C23CCC3)cc1 1632933147 PEFSZLJHLHCCAE-ROUUACIJSA-N 324.424 3.127 10 10 DGCE CCSc1ccc(CNC(=O)c2ccc(C)c(O)c2O)cc1 1636750782 MQHIPUWMCGNCAS-UHFFFAOYSA-N 317.410 3.448 10 10 DGCE CC(C)(C)Oc1ccc(C(=O)NCc2cc(O)ccc2O)cc1 1637126200 OEFZAXZHVPGDJM-UHFFFAOYSA-N 315.369 3.205 10 10 DGCE O=C(NCc1cccc(Cl)c1O)c1cc(F)c(F)cc1F 1637227174 QFDOPAQRNIQDCF-UHFFFAOYSA-N 315.678 3.393 10 10 DGCE CN(C)c1ccc(C(=O)NCc2cccc(Cl)c2O)cc1 1640402638 XEIJGVFQZQDDEI-UHFFFAOYSA-N 304.777 3.042 10 10 DGCE O=C(NCc1ccccc1O)NCC(F)(F)c1ccc(F)cc1 1683019717 QQHCRLFVGFXFLT-UHFFFAOYSA-N 324.302 3.123 10 10 DGCE O=C(O)C1CCN(/N=N/c2cccc(OC(F)(F)F)c2)CC1 1860487556 DNSQNTGNTWMAGO-ISLYRVAYSA-N 317.267 3.381 10 10 DGCE C[C@@H]1CCN(c2ccc(N)cc2)CCN1C(=O)OC(C)(C)C 1959553243 HXOCCGXJDHOJKW-CYBMUJFWSA-N 305.422 3.105 10 10 DGCE CN(CCC[C@@](C)(N)c1ccccc1O)C(=O)OC(C)(C)C 1960856540 IBQYEQGPXGRYBV-QGZVFWFLSA-N 308.422 3.213 10 10 DGCE CC1(C)COCC[C@H]1NCc1cccc(Br)c1O 1964601272 SANMFGOFGZFFNY-GFCCVEGCSA-N 314.223 3.059 10 10 DGCE C=CC=CCCNCc1c(Br)ccc(OC)c1O 1966003161 ORIBNUKSMKVLAO-UHFFFAOYSA-N 312.207 3.385 10 10 DGCE OCC1(NCc2cc(Cl)cc(Cl)c2O)CC2(CCC2)C1 1966090537 KWPJAOJQKUWMSS-UHFFFAOYSA-N 316.228 3.484 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@@H]1[C@@H]2CCOC[C@@H]21 1972262983 OZDOANSEBKWIDF-TUAOUCFPSA-N 302.201 3.071 10 10 DGCE C[C@H]1CN(c2ccc3c(c2)CC[C@@H]3O)CCN1Cc1ccccc1 2012704790 GMQYLQYTRRVHAA-KKSFZXQISA-N 322.452 3.377 10 10 DGCE C[C@H]1[C@H](CN(C)c2ccc(CN)c(Br)c2)C1(F)F 2036080425 YIFMGDHGOHLJJQ-KWQFWETISA-N 319.193 3.245 10 10 DGCE C[C@@H]1C[C@H](CN(C)Cc2cccc(Br)c2O)CO1 2040273006 DNJQACLHEAPAJY-GHMZBOCLSA-N 314.223 3.012 10 10 DGCE C[C@H](N)c1cc(F)c(N(C)CC2(Br)CC2)c(F)c1 2076248054 NYNXBZRCHMKXNS-QMMMGPOBSA-N 319.193 3.348 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC1CN(C2CCC2)C1 2112959432 ZQPRLTMWSGIHKW-UHFFFAOYSA-N 301.217 3.025 10 10 DGCE CC[C@@H]1SCCS[C@H]1[C@H](O)c1ccc2c(c1)CCN2C 2163063002 OQKJUIFPDBCFAU-ARFHVFGLSA-N 309.500 3.340 10 10 DGCE C[Si]1(C)CCN(CCNCc2cccc(Cl)c2O)CC1 2184635135 SJUYIUSDCNPVBY-UHFFFAOYSA-N 312.917 3.159 10 10 DGCE Oc1cc(Cl)ccc1CNCC(F)(F)C1CCOCC1 2185379823 LTUZUZFKNXLNDQ-UHFFFAOYSA-N 305.752 3.197 10 10 DGCE CN[C@@H](C)c1ccc(N2CC(SC(F)(F)F)C2)cc1O 2237490125 AMEQTIJWYSFDTO-QMMMGPOBSA-N 306.353 3.114 10 10 DGCE O=C(O)c1nc2c(O)cccn2c1N=Nc1ccccc1F 2295926435 BREREPUMZLTRRH-UHFFFAOYSA-N 300.249 3.293 10 10 DGCE Cc1ccccc1N=Nc1c(C(=O)O)nc2c(C(=O)O)cccn12 2295926568 KYSVWIFEEVECJC-UHFFFAOYSA-N 324.296 3.455 10 10 DGCE COc1cc(OC)cc(N(C)C(=O)C=Cc2scnc2C)c1 2311122607 XCXQTLYIAIIPLR-UHFFFAOYSA-N 318.398 3.145 10 10 DGCE CN(c1ccc(CO)c(Br)c1)[C@@H]1C[C@@H]2C[C@H]1[C@H]1C[C@@H]21 2330306004 UBDJIFPXGAQNHN-HBXGPHBESA-N 322.246 3.422 10 10 DGCE Cc1ccc(CN2C[C@H]3CCC[C@@H]3C2=O)c(O)c1Br 2352656849 MOJCEFWILNGUSV-PWSUYJOCSA-N 324.218 3.222 10 10 DGCE Cc1cc(C(=O)NCc2ccc(O)nc2)c(C)n1-c1ccccc1 118695587 OPFRPLAVNJKRJF-UHFFFAOYSA-N 321.380 3.125 10 10 DGCE CC(C)N(Cc1ccccc1)C(=O)[C@@H]1CNc2ccccc2N1 303989213 QLOUTSQGWFPWNR-SFHVURJKSA-N 309.413 3.330 10 10 DGCE CCNCc1ccc(N(C)C[C@H](C)OC)cc1Br 306114172 YJNPQKHUOXTNFU-NSHDSACASA-N 315.255 3.030 10 10 DGCE CCSc1cc(CNCc2cc([N+](=O)[O-])ccc2O)ccn1 189581866 WJEQBFPGOBVXLM-UHFFFAOYSA-N 319.386 3.097 10 10 DGCE CCc1nc(CN(c2ccc(OC)cc2)[C@@H](C)C2CC2)n[nH]1 181758593 REFHNWILDNUWOJ-LBPRGKRZSA-N 300.406 3.181 10 10 DGCE COC[C@@H](C)N(C)[C@@H](C)c1cc(Br)ccc1O 132678154 CJLDNXTZJLLMSK-ZJUUUORDSA-N 302.212 3.182 10 10 DGCE CCN(Cc1cccs1)c1cc2c(cc1N)NC(=O)CC2 48970190 LDVBDEVHKHQCFI-UHFFFAOYSA-N 301.415 3.242 10 10 DGCE CCOc1cccc(CNC[C@H]2CCN2C2CCCCC2)c1O 527754388 ZEYSAZFIUSJAIG-QGZVFWFLSA-N 318.461 3.288 10 10 DGCE COc1ccccc1[C@H](O)CN[C@H](C)c1ccc(C)c(C)c1O 273390196 KJSRMBKYQAYDKU-RHSMWYFYSA-N 315.413 3.402 10 10 DGCE Cc1cc(C)c([C@H](C)NCCNC(=O)c2ccccc2)c(O)c1 285361469 VQKJQZJHDGRPMO-HNNXBMFYSA-N 312.413 3.090 10 10 DGCE CC(C)Cn1ccnc1CNCc1cc(Cl)c(F)cc1O 816563126 LFSXTKICJPNMPO-UHFFFAOYSA-N 311.788 3.327 10 10 DGCE CC(C)C[C@H](N)c1cc(Br)cc([N+](=O)[O-])c1O 575244651 FUTIPOYSQHUGOW-VIFPVBQESA-N 303.156 3.109 10 10 DGCE COc1ccccc1[C@H](O)CNCc1cc(Cl)cc(C)c1O 827951348 XWIFGCSPXZQHDM-OAHLLOKOSA-N 321.804 3.186 10 10 DGCE COC1CCN(c2ccc(CN3CC[C@@H](C)[C@H](F)C3)cc2)CC1 828736596 HHYFYXWCVWNEAY-DNVCBOLYSA-N 320.452 3.482 10 10 DGCE Cc1cc(CCNCc2cncn2C)c(C)n1-c1ccccc1 727465682 OWCVMROZOCTZFQ-UHFFFAOYSA-N 308.429 3.160 10 10 DGCE Oc1ccc2c(c1)CN(Cc1c(O)ccc(Cl)c1F)CCO2 827657938 SJHOVKYGNXACLY-UHFFFAOYSA-N 323.751 3.285 10 10 DGCE CCOc1ccc(O)c(CN[C@H](C(=O)O)c2cccc(C)c2)c1 904262528 HWNNZJPLWLDURP-KRWDZBQOSA-N 315.369 3.015 10 10 DGCE C[C@H](NC[C@@H]1CC[C@@H](C(F)(F)F)O1)c1ccc(F)cc1O 903179565 QRKWEUKMYXKFHD-FWDPORAESA-N 307.287 3.292 10 10 DGCE CN(Cc1ccc(N2CCCCC2)cc1)C1C[C@@H]2CC[C@H](C1)N2 843046839 FFQCJFKSARPVIO-UFRUDQCGSA-N 313.489 3.392 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@]2(C1)CC2(F)F 844994345 ZNICICSVUNDHPI-MRXNPFEDSA-N 323.387 3.002 10 10 DGCE Cc1cc(O)c(CN[C@@H](C(C)C)C2(CO)CC=CC2)cc1C 843433269 WAJVZNHVZRNJTJ-SFHVURJKSA-N 303.446 3.452 10 10 DGCE COc1cccc([C@H](C)N[C@@H](C2CCOCC2)C2CC2)c1O 846189841 UTVMMAACLSXYJI-YVEFUNNKSA-N 305.418 3.257 10 10 DGCE CC[C@@H](NC[C@H]1CNCCC1(F)F)c1cccc(Cl)c1O 925779625 YPOKQIRQSBSAOZ-ZWNOBZJWSA-N 318.795 3.331 10 10 DGCE COC(=O)c1ccc(O)c([C@@H](C)NC[C@@](C)(O)CCC(C)C)c1 756601835 BKEBAQVEWHUBEJ-ACJLOTCBSA-N 323.433 3.017 10 10 DGCE C[C@H](NCC1C[C@H]2C[C@@H]2C1)c1ccc(N2CCOCC2)cc1 851897066 OCRDBJLZQMCGFM-WBAXXEDZSA-N 300.446 3.220 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CC23CCCC3)c1 759304563 IDLUHWVOQSMWRT-XHDPSFHLSA-N 304.390 3.094 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)C=C3CCCCC3)C2)cc1 855231987 ZNJPKOJFFAPCMC-INIZCTEOSA-N 314.429 3.281 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]32)c1 934939946 FCCRFDCAYBEJMG-LMRQPLJMSA-N 303.402 3.404 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CCC[C@H]2C(F)F)c1O 761116525 CLQGXTWEDOVLNW-LBPRGKRZSA-N 303.736 3.478 10 10 DGCE C[C@H](NC[C@@H]1c2ccccc2CN1C)c1ccc(F)cc1O 866563009 IMNVLWLHCNVZJX-YVEFUNNKSA-N 300.377 3.369 10 10 DGCE CC(=O)N(C)c1ccc(NCc2ccc(F)c(F)c2O)cc1 864022161 AHUXMZPYFNKVMI-UHFFFAOYSA-N 306.312 3.265 10 10 DGCE Cc1ccc(O)c(CNC(=O)Nc2ccc3c(c2)CCOC3)c1 861211663 JJMNNZMGMFKVPC-UHFFFAOYSA-N 312.369 3.095 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)[C@H]2CCC(C)(C)C2)cc1 1130745458 XQLADTVUWJXIKO-HNNXBMFYSA-N 318.461 3.416 10 10 DGCE O=C(NC1(C2CC2)CCC1)c1cc2cc(O)c(O)cc2s1 899822870 QIVJIILSEZMECJ-UHFFFAOYSA-N 303.383 3.375 10 10 DGCE Cc1nc2cc(F)c(F)cc2n1CCOc1ccc(N)cc1 57868774 DMHVELUHFFDNDL-UHFFFAOYSA-N 303.312 3.284 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1CCCCC[C@H]1O 135657997 KLGKSNQLJOHRLS-CHWSQXEVSA-N 304.217 3.482 10 10 DGCE CN[C@@H](C)c1ccc(N(C)C[C@@H](C)OC)cc1Br 393990226 PYKKVHMPTDGANY-MNOVXSKESA-N 315.255 3.201 10 10 DGCE Cc1cc(CN[C@H]2C[C@@H](O)C2(C)C)ccc1N1CCCCC1 1170398515 DETYWJAITZHUHS-ZWKOTPCHSA-N 302.462 3.234 10 10 DGCE C[C@@H]1CCC[C@@H](C)N1NCc1c(O)cccc1Br 706863819 OONXJJRROABVHB-GHMZBOCLSA-N 313.239 3.422 10 10 DGCE C[C@H](N)c1ccc(N2C[C@@H]3[C@H](C2)C3(F)F)cc1Br 715487871 BVPBRSONGHRJRP-BKDNQFJXSA-N 317.177 3.170 10 10 DGCE Cc1ccc(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)c(O)c1O 1299248817 LXNFINFJTGKVLL-QWHCGFSZSA-N 321.417 3.118 10 10 DGCE Cn1cnc(/C=C\C(=O)N2CCCc3c(F)ccc(Cl)c32)c1 1535295800 PPEMAXIWQHLEAD-DAXSKMNVSA-N 319.767 3.205 10 10 DGCE C[C@H](Cc1ccsc1)NC(=O)c1ccc(N=NC(N)=O)cc1 1543518603 NLUURNDUXLPPEE-SNVBAGLBSA-N 316.386 3.272 10 10 DGCE CCN(C)c1ccc(CN2CC[C@H](O)[C@@H]3CCCC[C@@H]32)cc1 1655401477 ZQHFDCXONAMVLD-QYZOEREBSA-N 302.462 3.268 10 10 DGCE CNCc1ccc(N(C)C[C@@H]2CCCO2)cc1C(F)(F)F 167368403 ZPMFRQGSNWAMBA-ZDUSSCGKSA-N 302.340 3.040 10 10 DGCE C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)NCc2ccc(O)c(O)c2)o1 159091307 OYHRBBNJYBJFOP-FKULILBMSA-N 313.353 3.144 10 10 DGCE CCC1=NN(CC(C)C)C(=O)/C1=C/c1ccc(OC)c(O)c1 1865664532 REWOQHNHVRCRHE-MDWZMJQESA-N 302.374 3.048 10 10 DGCE C[C@H](CN1CCC[C@@H](N=[N+]=[N-])C1)C(=O)OCc1ccccc1 1912153371 GEEPDNCXIHKASM-UKRRQHHQSA-N 302.378 3.141 10 10 DGCE CCCOc1cc(N(Cc2ccccc2)C[C@H](C)O)ccc1N 1914655128 NVKLHYPSVJYGAO-HNNXBMFYSA-N 314.429 3.445 10 10 DGCE COc1ccc(O)c([C@H](C)NCCC=CBr)c1 1966191702 VMHJLEKTNWYEGH-JTQLQIEISA-N 300.196 3.350 10 10 DGCE CCCN(c1ccc([C@H](C)N)c(Br)c1)C1COC1 1915643518 LRKJCQLLNBHGOH-JTQLQIEISA-N 313.239 3.084 10 10 DGCE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNCc1ccccc1O 1937860427 WZNUHBHRCJXVQG-UKRRQHHQSA-N 320.433 3.127 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1C[C@@H](N[C@@H]2CCc3cccc(O)c32)C1 1938291338 XNJQTOIATBWTGZ-HZSPNIEDSA-N 318.417 3.025 10 10 DGCE CCC1(F)CN(c2ccc([C@@H](C)O)c(Br)c2)C1 1944789161 GHMAYWHUHOCFNA-SECBINFHSA-N 302.187 3.441 10 10 DGCE [N-]=[N+]=NCCc1ncc(Br)cc1Br 1951471882 NIADKOBTQVQUIO-UHFFFAOYSA-N 305.961 3.459 10 10 DGCE CN(c1ccc2c(c1)CC[C@@H]2N)[C@@H]1CCN(Cc2ccccc2)C1 2012708603 GQORNYZIYISHHR-CTNGQTDRSA-N 321.468 3.343 10 10 DGCE Cc1cc(C=C2SC(=S)NC2=O)c(C)n1Cc1ccco1 2042446183 XHYLSPBUSGMHIG-UHFFFAOYSA-N 318.423 3.235 10 10 DGCE NCc1ccc(N2CCC[C@@H](CCF)C2)c(Br)c1 689379531 YCJGFWNWEVQBGC-NSHDSACASA-N 315.230 3.484 10 10 DGCE O=C1C(=Cc2ccc(F)cc2)SC(=S)N1C[C@H]1CCCO1 2053493325 PDOGOEDPPLYLKG-GFCCVEGCSA-N 323.414 3.206 10 10 DGCE COc1ccccc1CNCc1ccc(Br)cc1O 691440180 NGUJELCHWGPXFK-UHFFFAOYSA-N 322.202 3.453 10 10 DGCE CN(Cc1ccccc1)CC1CCN(c2ccc(CN)cc2)CC1 717562836 MFPUIHWMDNQDHP-UHFFFAOYSA-N 323.484 3.494 10 10 DGCE C[C@H](N)c1ccc(N(C)Cc2cc(Cl)n(C)n2)c(Cl)c1 2166504131 MSSSWAFXRSCJOA-VIFPVBQESA-N 313.232 3.383 10 10 DGCE NC[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C2(CCC2)C1 2174635191 HWPCVCVVHWKBRG-JTQLQIEISA-N 315.244 3.402 10 10 DGCE Cc1ccc([C@H](C2CC2)n2nc(C(C)C)c(N)c2N)c(O)c1 2078980802 IQGMKTWAFLTOCS-INIZCTEOSA-N 300.406 3.184 10 10 DGCE C[C@@]12C[C@H]1CN(c1ccc(C=CC(=O)O)cc1Br)C2 2096039052 SPBGYLHPIROTND-NHYWBVRUSA-N 322.202 3.393 10 10 DGCE CN[C@H](C)c1ccc(N(C)[C@@H]2CCOC[C@H]2F)c(Cl)c1 2186746513 FMRCKRGYKYGALE-WDBKCZKBSA-N 300.805 3.184 10 10 DGCE CN(CC1CC(C)(F)C1)c1ccc(CN)cc1Br 2065839507 GMSHXMPZOXRSSW-UHFFFAOYSA-N 315.230 3.482 10 10 DGCE Cc1ccc(N(C)Cc2cc(Br)ccc2O)cn1 2075992407 QYTBWWMSXUGOPQ-UHFFFAOYSA-N 307.191 3.495 10 10 DGCE C[C@]1(F)CN(c2ccc(CO)cc2F)C[C@]1(C)Br 2084854204 AECRUCUENIWIBN-STQMWFEESA-N 320.177 3.020 10 10 DGCE CN(Cc1cc(Cl)ns1)c1ccc(CN)c(F)c1F 2110911461 FADPNIDFRLKOON-UHFFFAOYSA-N 303.765 3.170 10 10 DGCE CN1CCc2cc([C@@H](O)c3cocc3Br)ccc21 2258101140 XXDMGXSSWQZTSV-CQSZACIVSA-N 308.175 3.116 10 10 DGCE Cc1cc(Br)cnc1C(=O)N1CCC[C@H]1CN=[N+]=[N-] 2269731686 HEIPBGFDHUVGQJ-JTQLQIEISA-N 324.182 3.067 10 10 DGCE COc1ccc(N2CC[C@H](N)C[C@@H]2C(F)(F)F)cc1Cl 2281011306 FNUZRKDEXXVFDS-QPUJVOFHSA-N 308.731 3.207 10 10 DGCE CSc1ncc(CNC(=O)c2c[nH]c3ccccc23)s1 2284711318 JWRUPWMQFSEAAG-UHFFFAOYSA-N 303.412 3.276 10 10 DGCE O=C(/C=C\c1cncc(F)c1)N1CCc2c(F)ccc(F)c21 492855574 UCVOIWFHBKQJPG-RJRFIUFISA-N 304.271 3.101 10 10 DGCE CC(C)C[C@H]1CCCN(C(=O)C=Cc2ccc(O)c(O)c2)C1 2308002394 ZNJAPRMTMOGTQX-OAHLLOKOSA-N 303.402 3.396 10 10 DGCE Cc1ccc(CN(CCF)CCF)c(O)c1Br 2307462238 XCBYUQSACYNVQR-UHFFFAOYSA-N 308.166 3.204 10 10 DGCE Nc1ccc(Oc2ccc(I)cc2)nc1 36904089 ZKFLJDZGHKXORT-UHFFFAOYSA-N 312.110 3.061 10 10 DGCE COc1ccc2c(c1)CCN2Cc1c[nH]nc1-c1cccnc1 127691154 CKQSEWHGLZDORL-UHFFFAOYSA-N 306.369 3.043 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)CCCC[C@@H](C)C(C)=O)c1 153928511 DCMOPSPVXDZUGI-OLZOCXBDSA-N 321.417 3.364 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)CC[C@@H]1CCCOC1 175508250 AZGBUKGDUZWXQQ-HNNXBMFYSA-N 305.418 3.338 10 10 DGCE CCCN(CCC)c1ccc(CNC[C@@]2(O)CCSC2)cc1 176756175 MQRLTBVJYGSGIS-SFHVURJKSA-N 322.518 3.271 10 10 DGCE C[C@@H]1CO[C@H](c2ccccc2)CN1Cc1cc(F)ccc1O 180059403 OJZRWDUHNXSLIW-ACJLOTCBSA-N 301.361 3.493 10 10 DGCE C[C@H]1C[C@H](C(=O)NCCc2ccc(O)c(O)c2)CC(C)(C)C1 184232205 VCRYSRCMMNODQU-JSGCOSHPSA-N 305.418 3.219 10 10 DGCE CCO[C@@H]1C[C@H](NCc2cc(C)c(C)cc2O)C12CCOCC2 185652569 QTEZOPSZABDMLE-ZWKOTPCHSA-N 319.445 3.073 10 10 DGCE CCO[C@@H]1C[C@H](N[C@@H](C)c2ccccc2O)C12CCOCC2 186303215 KUIMHLMBYZODSV-RRQGHBQHSA-N 305.418 3.017 10 10 DGCE O=S(=O)(CCCC(F)(F)F)Nc1ccc(O)c(Cl)c1 213831794 ALPIRXOMYBQZDE-UHFFFAOYSA-N 317.716 3.130 10 10 DGCE CC(C)CCOC(=O)/C=C\c1ccc(N2CCOCC2)cc1 255213065 BQBNFJPLFBJLKW-YVMONPNESA-N 303.402 3.126 10 10 DGCE CCN1CCC(CCN[C@H](C)c2cc([N+](=O)[O-])ccc2O)CC1 273624128 ZWXLOTWHIUHQNP-CYBMUJFWSA-N 321.421 3.073 10 10 DGCE Cc1cc(Cl)cc(CN(C)CCCn2ccnc2C)c1O 290609695 WLHDRYJJTFAKNE-UHFFFAOYSA-N 307.825 3.381 10 10 DGCE CC1(C)C[C@H](O)CCN(Cc2cc(Cl)c(F)cc2O)C1 295331605 XPPDETJCTJKRAN-LLVKDONJSA-N 301.789 3.168 10 10 DGCE C[C@H](N[C@@H]1CCc2cccc(O)c21)c1nnc2n1CCCCC2 323921082 VDAUIUILEZNNII-GXTWGEPZSA-N 312.417 3.048 10 10 DGCE CNCc1ccc(N(C)CCCOCc2ccccc2)c(C#N)c1 384120591 WFHLVKDSPQHRDI-UHFFFAOYSA-N 323.440 3.321 10 10 DGCE CC(C)(COCc1ccccc1)NCc1cccc(O)c1O 390007125 BZONDFFTEVEPAM-UHFFFAOYSA-N 301.386 3.183 10 10 DGCE C[C@H]1CN(CCCc2ccc(N)cc2)CCN1Cc1ccccc1 396528863 WTJPCWBMWBERDQ-SFHVURJKSA-N 323.484 3.408 10 10 DGCE COc1ccc(Cl)c(O)c1[C@H](N1CCOCC1)C(C)(C)C 575301979 HJVDRHNFJDCJFY-HNNXBMFYSA-N 313.825 3.474 10 10 DGCE CCN(Cc1cc(Cl)cc(Cl)c1O)[C@@H]1CCN(C)C1 693475822 OJAPDLBUUVCJAA-GFCCVEGCSA-N 303.233 3.225 10 10 DGCE Nc1ccc(C[C@@H](O)Cc2cc(Br)ccc2F)cc1 702787602 WJJLTSJKLZUWQF-CQSZACIVSA-N 324.193 3.317 10 10 DGCE CN(Cc1c(O)cccc1Br)CC1CCOCC1 707149122 FVDXIXXTIFFZGA-UHFFFAOYSA-N 314.223 3.013 10 10 DGCE CN[C@H]1CCN(Cc2ccccc2)[C@@]1(C)c1ccc(N(C)C)cc1 712092926 VTZLIWLJFCQDJZ-SFTDATJTSA-N 323.484 3.462 10 10 DGCE CCc1cccc(CNC[C@@H]2CCN2C(=O)OC(C)(C)C)c1O 724926926 SGNBRIOQPJYICS-HNNXBMFYSA-N 320.433 3.054 10 10 DGCE C[C@H](NCC[C@@H]1CCOC1)c1cc(Br)ccc1O 757656528 JHQSVQBRSBWFIJ-WDEREUQCSA-N 314.223 3.232 10 10 DGCE CCOC(=O)[C@H](CC1CC1)NCc1c(O)ccc(Cl)c1F 792174671 YKKBVMZZQRWNSV-LBPRGKRZSA-N 315.772 3.006 10 10 DGCE COc1ccc(CNCc2cc(Cl)cc(C)c2O)c(O)c1 793386293 KKWGFOJMXPNTHT-UHFFFAOYSA-N 307.777 3.358 10 10 DGCE Cc1cc(Cl)cc(CNCc2cnn3ccccc23)c1O 809700442 GVUNMHBSEMIALC-UHFFFAOYSA-N 301.777 3.292 10 10 DGCE CCN1CC[C@H](N(C)Cc2ccc(N(C)C)c(C)c2)[C@H](C)C1 815070933 APJVSZIONUVRRC-APWZRJJASA-N 303.494 3.223 10 10 DGCE Cc1ccc(/C=C\C(=O)N2CCc3c(F)ccc(F)c32)cn1 817827964 XRKFVMJIJAWHJK-DAXSKMNVSA-N 300.308 3.271 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCC[C@@H]3COCC[C@@H]32)cc1 835029565 RKSWMYYAVUROTM-DUVWHUSGSA-N 300.446 3.267 10 10 DGCE CN(C)c1ccc(/C=C/CNC[C@]2(C)CCCC[C@@H]2O)cc1 835041882 FPNRTMYOPZRERB-FNYRVFDFSA-N 302.462 3.297 10 10 DGCE Cc1cccc(CN[C@@H](C[C@H]2CCCO2)C(F)(F)F)c1O 848927784 NQBKXXUZDAJCFP-OLZOCXBDSA-N 303.324 3.290 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)N[C@H]1CCN(C)C(C)(C)C1 858179553 NWTPWPKHXGRDBL-WMZOPIPTSA-N 317.521 3.454 10 10 DGCE C[C@@H](NCC[C@H](N(C)C)C(F)(F)F)c1cc(F)ccc1O 926962120 KBTWZBKQNRCCMO-RNCFNFMXSA-N 308.319 3.065 10 10 DGCE COc1ccc(N2CCC(NC(=O)C3(C)CC=CC3)CC2)cc1 931577761 CALOKVHFELKLPW-UHFFFAOYSA-N 314.429 3.137 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)NCC[C@@H](O)C(C)C 1293599340 DUOBLGDNKAWXOD-OAHLLOKOSA-N 320.458 3.292 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)CCCC(C)C)cc1 1586649653 POPBDKAVHPLTKX-UHFFFAOYSA-N 306.450 3.416 10 10 DGCE CC(=O)Nc1c(C)cccc1C(=O)N[C@H](C)c1ccccc1O 1587445098 VHGUOGUWQQBVHR-GFCCVEGCSA-N 312.369 3.150 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)c2ccc(C)c(F)c2F)c1 1595806521 NQAQIOPCXUZOLW-JTQLQIEISA-N 321.323 3.478 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H]1CC[C@H]1C 1640279440 XHVKGJKJTMFMIX-SJKOYZFVSA-N 310.397 3.435 10 10 DGCE COc1ccc(N(C)CCN(C)c2ccccc2)c(OC)c1 1657869883 WWISRKSDCYMYFH-UHFFFAOYSA-N 300.402 3.276 10 10 DGCE C[C@H](NC(=O)NC[C@@H]1C[C@H]2C=C[C@H]1CC2)c1ccccc1O 1683283681 LJTCDCJOOHSKSB-AJNGGQMLSA-N 300.402 3.355 10 10 DGCE Nc1ccc(N(C(=O)CCC(=O)c2cccs2)C2CC2)cc1 1857926913 INNOHKJRKHIKGM-UHFFFAOYSA-N 314.410 3.489 10 10 DGCE CC1=NN(Cc2ccc(Cl)cc2)C(=O)/C1=C/c1cccn1C 1865670544 FLNFANHGLDEKBM-MHWRWJLKSA-N 313.788 3.480 10 10 DGCE C[C@@H](N)c1ccc(N(C)C[C@@H]2C[C@@H]2F)c(Br)c1 1908965353 NVDUINPETOCLTI-QRTLGDNMSA-N 301.203 3.263 10 10 DGCE CCOC(=O)[C@](C)(CSC(C)(C)C)NCCCN=[N+]=[N-] 1912174503 AAOJBXUEKKSTCJ-ZDUSSCGKSA-N 302.444 3.130 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN(C(=O)c2ccc(Br)nc2)C1 1912186135 AAQPEFJRGQXKIQ-VIFPVBQESA-N 324.182 3.007 10 10 DGCE C[C@H](O)c1ccc(N(Cc2ccccc2)C[C@@H](C)O)c(F)c1 1914610987 VYNVRRLSAPSNSE-KGLIPLIRSA-N 303.377 3.266 10 10 DGCE CC(C)[C@@H](C[C@H](N)c1ccccc1O)NC(=O)OC(C)(C)C 1928471948 MUJIKLSBTJRPLG-UONOGXRCSA-N 308.422 3.331 10 10 DGCE c1ccc(CO[C@@H]2CC[C@@H]2NCc2ccc3c(c2)CCO3)cc1 1939571201 QMHWDBSZKNFZLD-AZUAARDMSA-N 309.409 3.459 10 10 DGCE CC1CC(N(C)c2ccc(CN)c(Br)c2F)C1 1942055331 QHCUIRWGVGUBQR-UHFFFAOYSA-N 301.203 3.282 10 10 DGCE CC(C)(C)OC(=O)NCC[C@H]1CCN(CCCCN=[N+]=[N-])C1 1962287694 LXNBNFURFOPBQZ-ZDUSSCGKSA-N 311.430 3.314 10 10 DGCE Cc1cccc(O)c1CN[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C 1976875170 FOXXWCLZGLTVLL-LSDHHAIUSA-N 320.433 3.236 10 10 DGCE CN[C@H](c1ccc(N(C)C)cc1)[C@@H](C)CNC(=O)OC(C)(C)C 1977946833 YDLQZNFZKJNZOG-BBRMVZONSA-N 321.465 3.174 10 10 DGCE CC(C)(C)OC(=O)N1C[C@]2(C)C[C@]2([C@@H](N)c2ccccc2O)C1 1978994564 QHHNHSYXTMHEGK-JCGIZDLHSA-N 318.417 3.039 10 10 DGCE CNCc1ccc(N(C)CP(C)(C)=O)c(Br)c1 2021447814 VVYGIKGKFHYKRT-UHFFFAOYSA-N 319.183 3.185 10 10 DGCE CN(c1ccc(CN)c(Br)c1F)[C@@H]1[C@H]2CCC[C@H]21 2033883648 GXDCSXCCNNNEOO-MSRIBSCDSA-N 313.214 3.282 10 10 DGCE Cc1cc(C=C2SC(=S)NC2=O)c(C)n1-c1nccs1 2042447689 IZUIBCRTMKHFEE-UHFFFAOYSA-N 321.452 3.039 10 10 DGCE Oc1ccccc1CNCCc1ccccc1Br 2067561455 FQTYBOLBIPDZDT-UHFFFAOYSA-N 306.203 3.487 10 10 DGCE Nc1c(C2CCC2)cnn1Cc1cc(Br)ccc1O 2070311779 IVGXSDYQONLOEF-UHFFFAOYSA-N 322.206 3.249 10 10 DGCE CCNCc1ccc(N2C[C@H]3C[C@@H](C2)C3)cc1Br 2077893200 WRGWWTFYAQCOTR-TXEJJXNPSA-N 309.251 3.405 10 10 DGCE CCN[C@@](CCCSc1nccs1)(C(=O)O)C(C)C 2087811059 DFZRTAAUOURSEB-CYBMUJFWSA-N 302.465 3.104 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(Cc2nc(Cl)cc(Cl)n2)CC1 2099329311 LWEMZCFJUNXHJC-QMMMGPOBSA-N 301.181 3.448 10 10 DGCE CC1CCC(S(=O)(=O)N2CCC[C@H](N=[N+]=[N-])CC2)CC1 2155557620 XFXSXAHLRDXWQN-CPCZMJQVSA-N 300.428 3.060 10 10 DGCE CN[C@H](C)c1ccc(N2C[C@H](OC)C[C@H]2CF)cc1Cl 2190233476 WABFFFFBTOHFHI-KGYLQXTDSA-N 300.805 3.184 10 10 DGCE OC[C@@]12CCC[C@@]1(CNCc1cc(Cl)cc(Cl)c1O)C2 2208158724 CBDWKVDADFUKID-GJZGRUSLSA-N 316.228 3.341 10 10 DGCE OC[C@H](C1CC1)N(Cc1ccccc1)c1ccc2c(c1)CCO2 2210873377 JOXWAZHKPFTVKJ-LJQANCHMSA-N 309.409 3.399 10 10 DGCE Cc1cc([C@H](C)O)ccc1N1CC(N(C)Cc2ccccc2)C1 2212702529 YFKMODSCOBEQQG-INIZCTEOSA-N 310.441 3.369 10 10 DGCE Oc1ccc(Cl)cc1CN[C@@H](C(F)F)C1CCOCC1 2239537875 OMEVYVGKHHJUIR-CYBMUJFWSA-N 305.752 3.196 10 10 DGCE COc1ccc(O)c(CNC(=O)CC=Cc2ccc(C)cc2)c1 2301551262 FIIXSXUDIUQERJ-UHFFFAOYSA-N 311.381 3.429 10 10 DGCE Cc1ccc(CN[C@@H]2C[C@@H](C)O[C@@H]2C)c(O)c1Br 2327612312 LCKSBOBESYAIHK-CKYFFXLPSA-N 314.223 3.119 10 10 DGCE Cc1ccc(/C=C2\SC(Nc3cccc(O)c3)=NC2=O)o1 16904703 WNRHPURMTBUDFU-JYRVWZFOSA-N 300.339 3.376 10 10 DGCE COC(=O)c1ccc(Cl)c(NCc2ccc(O)c(O)c2)c1 37047875 REVRFTCYFHEYIQ-UHFFFAOYSA-N 307.733 3.150 10 10 DGCE CCN1/C(=C/C=C2/SC(=S)N(C)C2=O)Oc2ccccc21 101955845 PCSYXWHVLXYKLH-UQXQTEIVSA-N 318.423 3.121 10 10 DGCE CC[C@]1(C)C[C@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 132980706 YYKPKPVJCCJHEY-FUHWJXTLSA-N 318.486 3.292 10 10 DGCE C[C@H]1CN2CCC[C@@H]2CN1Cc1cc(C(C)(C)C)cc(O)c1O 153247658 IBHIDJAIQMAYEV-XJKSGUPXSA-N 318.461 3.064 10 10 DGCE CCCOc1ccc(CN(C)C[C@@H]2CCCN2CC)c(O)c1 156085526 GBALWVQKTRYUBW-INIZCTEOSA-N 306.450 3.097 10 10 DGCE Cc1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)s1 184926283 LJPHRKZMHBRCGM-VIFPVBQESA-N 306.387 3.220 10 10 DGCE COc1ccc(N2CCN([C@@H](C)c3cccc(C#N)c3)CC2)cc1 189345329 GDVBABHRNALWOX-INIZCTEOSA-N 321.424 3.450 10 10 DGCE COC(=O)c1ccc(NCc2cc([N+](=O)[O-])ccc2O)cc1C 191843818 ZKJZBHKKJKWEJP-UHFFFAOYSA-N 316.313 3.008 10 10 DGCE CN[C@@H]1C(=O)Nc2cc(N3CC[C@H](C)[C@H](C)C3)c(Cl)cc21 253071036 MWFQSDJDKFLUPH-WMFXKJRFSA-N 307.825 3.035 10 10 DGCE COc1cccc(CNc2cc(C)cnc2Br)c1O 311672322 HMMRMYHYRZEBJH-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE C[C@@H]1CC[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)C1 360680490 LJYQTKMLVFLCFC-YMKOARSKSA-N 301.386 3.150 10 10 DGCE C[C@H]1CN(c2cc(Br)c(CN)cc2F)C[C@@H]1C 383661361 LQOSBMHWBMYTDU-IUCAKERBSA-N 301.203 3.139 10 10 DGCE C[C@H](NC[C@H]1COc2ccccc2O1)c1cc(F)ccc1O 388389263 RPXMGSAQNLIIQC-AAEUAGOBSA-N 303.333 3.022 10 10 DGCE CN(C[C@H]1C[C@@H]1C1CC1)c1ccc(CO)cc1Br 698331878 BAYPFPCJANDBHV-CHWSQXEVSA-N 310.235 3.424 10 10 DGCE C[C@H]1CCN(c2ccc([C@H](C)O)c(Br)c2)CCO1 720412990 HRKFSGYFPYPCOH-QWRGUYRKSA-N 314.223 3.118 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N(C)Cc2cc[nH]n2)cc1 732642049 ROFNGDBPBVPDGC-UHFFFAOYSA-N 308.385 3.089 10 10 DGCE CC(C)CC[C@](C)(O)CNCc1cc(Cl)cc(F)c1O 776209559 ZQIVNCOIFFIZRE-HNNXBMFYSA-N 303.805 3.462 10 10 DGCE COc1cc(CN2CCO[C@H](C3CC3)C2)c(O)c(C(C)(C)C)c1 776773615 UDIPIRLXDZGEQS-KRWDZBQOSA-N 319.445 3.309 10 10 DGCE CCc1cc(NCc2cc(Br)ccc2O)ncn1 804828512 QRQOTGMAAUKLJQ-UHFFFAOYSA-N 308.179 3.119 10 10 DGCE COC(=O)c1ccc(CNCc2cc(Cl)cc(F)c2O)cc1 809733442 WRFAJCWCRLLWEX-UHFFFAOYSA-N 323.751 3.261 10 10 DGCE Cc1cc(C)c([C@H](C)NCC2(O)Cc3ccccc3C2)c(O)c1 815583036 VJHZDXFSLSOFIX-HNNXBMFYSA-N 311.425 3.190 10 10 DGCE C[C@@H](NC(=O)[C@@H]1CCc2cccc(O)c21)c1ccc(N(C)C)cc1 816180113 FURLEZLTLFRCCW-CXAGYDPISA-N 324.424 3.365 10 10 DGCE COCCC1CN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 819568272 PWZFDGYBZAWHBU-UHFFFAOYSA-N 312.413 3.203 10 10 DGCE COc1ccc2c(c1)CCCN2Cc1ccnn1-c1ccncc1 825462017 WSPLMZDXCFUDEQ-UHFFFAOYSA-N 320.396 3.229 10 10 DGCE CN(C)c1ccc(/C=C\CN2CC[C@H](CN3CCCC3)C2)cc1 835026072 PEFSTINFGKLVHO-SFFCAUCYSA-N 313.489 3.184 10 10 DGCE CC(C)OC(=O)[C@H](C)N(C)C/C=C/c1ccc(N(C)C)cc1 835028164 JMMVZBIKRGXCFF-KIUWMYQTSA-N 304.434 3.038 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CC2(CCOCC2)C1 839141490 QSDPXHGTRHMANO-UHFFFAOYSA-N 302.201 3.311 10 10 DGCE CC(=O)NCc1ccc(CN[C@@H](C)c2ccc(F)cc2O)cc1 850484512 KKDBRYZTWGXALV-LBPRGKRZSA-N 316.376 3.018 10 10 DGCE CC[C@H](NC[C@@H](OC)[C@@H]1CCOC1)c1cccc(Cl)c1O 850485212 ZAZKYQOSPFDZAO-BYCMXARLSA-N 313.825 3.138 10 10 DGCE C[C@H](NCC[C@@]1(C)CC1(F)F)c1cc([N+](=O)[O-])ccc1O 850536903 OWAJJKFSTJJGKI-ZANVPECISA-N 300.305 3.386 10 10 DGCE COc1ccc2c(c1)N(C(=O)c1ccc(C)c(O)c1O)CCC2 856076346 BMXPYGGSPFBVDK-UHFFFAOYSA-N 313.353 3.008 10 10 DGCE COc1cc(CN[C@@]23C[C@H]2COC3(C)C)c(O)c(C(C)(C)C)c1 858229631 FCCXFEWLBLJWLT-DJJJIMSYSA-N 319.445 3.355 10 10 DGCE C/C=C\C[C@H]1CCCN(C(=O)NCCc2ccc(N)cc2)C1 861639139 AMSKSCDPIMQLFS-YPQKKHBXSA-N 301.434 3.199 10 10 DGCE COc1ccc(O)c([C@@H](C)NC[C@H]2c3ccccc3CN2C)c1 866564358 SYDVHRXLTBABPE-ACJLOTCBSA-N 312.413 3.238 10 10 DGCE O=C([C@H]1C[C@@H]1c1cc(F)ccc1F)N1Cc2cccc(O)c2C1 871202478 IMYHXWHEODKGCG-OCCSQVGLSA-N 315.319 3.316 10 10 DGCE Oc1ccc([C@H]2CCN(Cc3cc(F)cc(F)c3O)C2)cc1 895413456 DSHXXLPAOLHZHA-LBPRGKRZSA-N 305.324 3.366 10 10 DGCE O=C(N[C@@H]1CC[C@H]2C[C@@H]2C1)c1cc2cc(O)c(O)cc2s1 898106437 NSIQRGAVESJRSP-IQJOONFLSA-N 303.383 3.231 10 10 DGCE CN(C)c1ccc(/C=C/CNCCc2ccc(C(=O)O)cc2)cc1 904010656 LHBZSEADOYRLNK-ONEGZZNKSA-N 324.424 3.296 10 10 DGCE COc1ccc2ccc(O)c(CN3CCO[C@H](C)CC3)c2c1 905740042 PXTAFNOMZOIFLM-CYBMUJFWSA-N 301.386 3.165 10 10 DGCE CC12C[C@@H]3C[C@H](C1)CC(C(=O)NCc1ccc(O)c(O)c1)(C3)C2 907059221 GUWCNLTXZNFQHT-BAUKFBFWSA-N 315.413 3.321 10 10 DGCE C[C@H]1CC2(CO1)CC(NCc1ccc(N3CCCC3)cc1)C2 924647396 GDQOSDHBLZXXJD-DMKPSLHHSA-N 300.446 3.334 10 10 DGCE C[C@H](NC[C@]1(C(F)(F)F)CCCN1)c1ccc(N(C)C)cc1 925855856 IFDXQPUQLIDSTE-WFASDCNBSA-N 315.383 3.088 10 10 DGCE CCO[C@@H](CN[C@H](C)c1ccc2ccccc2c1O)CN(C)C 926965055 ZWEGWFBGTHJFBH-ZBFHGGJFSA-N 316.445 3.163 10 10 DGCE Cc1nc(NCc2cc(O)ccc2O)c2c(C)csc2n1 1164046908 SJGHGHZTTUXVOE-UHFFFAOYSA-N 301.371 3.331 10 10 DGCE O=S(=O)(Nc1ccc(O)c(F)c1)c1cc(Cl)ccc1F 1259457832 FYRHIYIGUYRFSA-UHFFFAOYSA-N 319.716 3.125 10 10 DGCE C[C@H](Oc1ccc(F)cc1)C(=O)N[C@H](C)c1ccccc1O 1302530608 SMXWVZFSBBIABL-NEPJUHHUSA-N 303.333 3.176 10 10 DGCE c1ccc(-c2nnc(CCNCc3ccc4c(c3)CCO4)o2)cc1 1308340055 QXXVAVVQUXHJNF-UHFFFAOYSA-N 321.380 3.004 10 10 DGCE Cn1cnc(/C=C\C(=O)N(Cc2ccco2)c2ccccc2)c1 1351711020 RJWQLKXUKXDJGX-KTKRTIGZSA-N 307.353 3.260 10 10 DGCE CCOc1c(F)cccc1C(=O)N1Cc2cccc(O)c2C1 1471355618 NJTHRHBXVWIWCS-UHFFFAOYSA-N 301.317 3.086 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccsc1Cl 1611431105 KHKWDLYHIQRRGA-QMMMGPOBSA-N 311.790 3.174 10 10 DGCE COc1ccc(N(C)CCN(C)C[C@@H]2C[C@H]3[C@@H](C2)C3(F)F)cc1 1619655968 CKNVPQCDUWBYTN-AYGBPOKTSA-N 324.415 3.355 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CCc3ccccc32)cc1 1633602800 BMIKDICOVHUPFR-CQSZACIVSA-N 322.368 3.309 10 10 DGCE CN(C(=O)/C=C\c1ccc(O)c(O)c1)c1cccc2c1CCCN2 1634531018 DOVQILGEMPMGNK-NTMALXAHSA-N 324.380 3.132 10 10 DGCE CCOc1ccc(N(CC)C[C@@H]2CC(C(=O)OC)=C(C)O2)cc1 1642199749 NAOOOUKPXYQVEA-INIZCTEOSA-N 319.401 3.148 10 10 DGCE O=C(/C=C\c1ccc(Cl)s1)NCc1cccc(O)c1O 1643812986 VJJXXMMYBYKRPA-ALCCZGGFSA-N 309.774 3.142 10 10 DGCE Cc1cc(N(C)C)ccc1Cn1c(C)nnc1N(C)CC(C)C 1693003280 IVVGAUHQMIDHPK-UHFFFAOYSA-N 315.465 3.101 10 10 DGCE C[C@H]1C[C@H]1n1c(N(C)Cc2ccccc2O)nnc1C(C)(C)C 1726494325 FBJMEOGFGYCDOQ-GXTWGEPZSA-N 314.433 3.499 10 10 DGCE COc1ccc(CNC[C@H](CC(C)C)NC(=O)C2CC2)cc1C 1732458618 JXMQSLISRXWBFU-KRWDZBQOSA-N 318.461 3.034 10 10 DGCE O=C(O)C=Cc1ccc(N2C[C@H]3C[C@@H](C2)C3)c(Br)c1 1899324295 ZELHZHIAGWEHFG-TXEJJXNPSA-N 322.202 3.393 10 10 DGCE COc1ccc(Br)cc1CN1CC[C@@H](N=[N+]=[N-])C1 1912153762 DORPPWFVEOZGMO-LLVKDONJSA-N 311.183 3.342 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN(Cc2sncc2Br)C1 1912171603 MWVRFAMHWCJHEQ-QMMMGPOBSA-N 316.228 3.428 10 10 DGCE CN[C@H](c1ccccc1O)[C@H](NC(=O)OC(C)(C)C)C(C)C 1928474652 OXNJXDMWCJZTEH-HUUCEWRRSA-N 308.422 3.202 10 10 DGCE CCC[C@@H]1CCN1c1cc(Br)c(CN)cc1F 1941305840 SOWBTMPNXQOBLW-SNVBAGLBSA-N 301.203 3.426 10 10 DGCE C[C@@H](COc1ccc(N)cc1)C1CN(C(=O)OC(C)(C)C)C1 1953019629 JQWCBQYCNREUOD-LBPRGKRZSA-N 306.406 3.151 10 10 DGCE Oc1cc(Cl)ccc1CN[C@@H]1CCCC2(CC1)OCCO2 1967795223 TTYZRUWXZJOPHP-CQSZACIVSA-N 311.809 3.211 10 10 DGCE CC1(C)CCO[C@H]1CNCc1ccc(Br)cc1O 1967843266 NIJIQYXXZPHNQH-ZDUSSCGKSA-N 314.223 3.059 10 10 DGCE C[C@@H]1OCC[C@H]1CCNCc1cccc(Br)c1O 1972146602 QFQOYJNIMHVNDO-WDEREUQCSA-N 314.223 3.059 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(c3ccc(N)cc3)C[C@H]21 1977969915 HAQFSXTXNBCRMV-DAXOMENPSA-N 317.433 3.008 10 10 DGCE OCCCN(Cc1ccccc1)c1ccc2c(c1)CCC[C@@H]2O 1986600666 PDWUFOTVMRGQDT-FQEVSTJZSA-N 311.425 3.445 10 10 DGCE CCNCc1ccc(N2CCC[C@@H]2CF)cc1Br 2051770211 PPPACRJGXUGODX-CYBMUJFWSA-N 315.230 3.497 10 10 DGCE CNCc1cc(C2CCC2)nn1Cc1cc(Cl)ccc1O 2070040845 QAIZNWUHROMZKF-UHFFFAOYSA-N 305.809 3.277 10 10 DGCE CCc1nsc(Sc2ncc(CNCC(C)C)s2)n1 2099105851 QPLGFVXZPCLPIU-UHFFFAOYSA-N 314.505 3.454 10 10 DGCE CN(Cc1cc(Cl)cs1)c1ccc([N+](=O)[O-])c(CO)c1 2150407312 AQTIORGROQGEPH-UHFFFAOYSA-N 312.778 3.438 10 10 DGCE Oc1cccc(Cl)c1CNCc1cccc2nsnc12 2151642427 ZXOKVILAMMOPES-UHFFFAOYSA-N 305.790 3.340 10 10 DGCE CN[C@H](c1ccc(N2CCCC2)cc1)[C@@H]1CSCCS1 2163093969 HJTNBYKCWDXODD-JKSUJKDBSA-N 308.516 3.396 10 10 DGCE Cc1cc(CO)ccc1N(C)[C@@H]1CS[C@H](C(F)(F)F)C1 2189474516 QJIXNWVMOHBBQO-AAEUAGOBSA-N 305.365 3.360 10 10 DGCE OCc1ccc(N2CC(SC(F)F)C2)c(C(F)(F)F)c1 2196691073 AGWCCFFMRQAKNC-UHFFFAOYSA-N 313.291 3.342 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@H]1NC(=O)c1ncc(Cl)cc1Cl 2225795877 RIKCIBOZSZFMPU-BDAKNGLRSA-N 300.149 3.350 10 10 DGCE C[C@@]1(CC(=O)O)CCN1Cc1cc(Cl)cc(Cl)c1O 2229505836 FMMXAIPXYYGJGS-ZDUSSCGKSA-N 304.173 3.138 10 10 DGCE CNCc1ccc(N2C[C@@H]3C[C@@H]3C2(C)C)c(Br)c1 2257027245 RRGZDVJSRXSQMU-RYUDHWBXSA-N 309.251 3.403 10 10 DGCE C[C@@H](CCNCc1cc(Br)ccc1O)OC(F)F 2261310472 YALCBDYFLXNHSG-QMMMGPOBSA-N 324.165 3.262 10 10 DGCE CSc1ncc(CNC[C@@H]2CNC[C@H](C(C)(C)C)C2)s1 2284720870 JOXYHTOVRHXCTA-NWDGAFQWSA-N 313.536 3.226 10 10 DGCE O=C1NC(=S)SC1=Cc1cc(Cl)ccc1OC(F)F 2297323005 BRXACGVECOQQJD-UHFFFAOYSA-N 321.757 3.430 10 10 DGCE O=C(C=Cc1cc2ccccc2o1)NCCc1ccc(O)c(O)c1 2301396381 UOWJLQIWBNECNM-UHFFFAOYSA-N 323.348 3.216 10 10 DGCE COc1cccc(CNC(=O)C=CSCc2ccco2)c1O 2301549619 TYRFEQXARXCTQA-UHFFFAOYSA-N 319.382 3.057 10 10 DGCE NCc1cc(F)c(N2CC[C@H]3C=C[C@@H]2C3)cc1Br 2311394637 ITPROWVHOUZUSJ-MWLCHTKSSA-N 311.198 3.202 10 10 DGCE Cc1ccc(CNC(=O)CCC2CC2)c(O)c1Br 2327789691 ODCAGAYCOKKUDE-UHFFFAOYSA-N 312.207 3.270 10 10 DGCE CN(c1ccc(CO)c(Br)c1)[C@@H]1C[C@@H]2C[C@H]1[C@H]1C[C@@H]21 2330312309 UBDJIFPXGAQNHN-HBXGPHBESA-N 322.246 3.422 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@H]1CC[C@@H]2C[C@H]1CO2 2334119387 GHVLYWIIHXUOAH-NDMJEZRESA-N 302.201 3.356 10 10 DGCE Oc1ccc(OC(F)(F)F)cc1CNCCC(F)(F)F 2361165898 NQHHACYPPAESCF-UHFFFAOYSA-N 303.202 3.333 10 10 DGCE CC(C)NCc1ccc(N2CCOC[C@H](F)C2)cc1Cl 2361809400 WDCSKFLPHJYZHZ-CYBMUJFWSA-N 300.805 3.013 10 10 DGCE COc1ccc(N2CCC[C@@H](O)[C@@H]2C(F)(F)F)cc1Cl 2370186441 UCIBPNRUNRJLSJ-ZYHUDNBSSA-N 309.715 3.241 10 10 DGCE Nc1ccc(CNC(=O)c2ccc(Br)s2)cc1 37666245 BMTZFJHCXXZAFR-UHFFFAOYSA-N 311.204 3.023 10 10 DGCE CCN[C@@H](c1ccc2c(c1)CCN2C)c1nc(C)c(C)s1 50287865 CGRXZGOALLDODA-INIZCTEOSA-N 301.459 3.451 10 10 DGCE COc1ccc(N(C)Cc2cc(F)ccc2C(N)=S)cc1 69403123 VQLFJUSZLWQKIA-UHFFFAOYSA-N 304.390 3.105 10 10 DGCE CN(C)c1ccc(Cc2nccn2Cc2ccc(N)cc2)cc1 82734561 MXDUKVVDHDBXQC-UHFFFAOYSA-N 306.413 3.170 10 10 DGCE CCCOc1ccc(CN2CCO[C@@H](c3ccco3)C2)c(O)c1 93841684 PXWCWPHBBIBYGK-GOSISDBHSA-N 317.385 3.348 10 10 DGCE COc1ccc(O)c(CNc2cc(C)nc(-c3ccncc3)n2)c1 114450743 UVGHATVIKNJLNE-UHFFFAOYSA-N 322.368 3.173 10 10 DGCE OC[C@@H](Cc1ccccc1)NCc1c(O)ccc2ccccc12 152707763 GSSNVPZZPNCLDM-QGZVFWFLSA-N 307.393 3.239 10 10 DGCE Cc1cc(NCc2cc(N)ccc2O)ncc1Br 166168844 MQXRHGKNGAHDEJ-UHFFFAOYSA-N 308.179 3.052 10 10 DGCE COc1cccc(CNC(=O)[C@H]2C[C@H]2C2CCCCC2)c1O 175930451 HQQVSIPPFSCIFS-GJZGRUSLSA-N 303.402 3.233 10 10 DGCE CN(Cc1cscn1)c1ccc(CN)cc1Br 213040765 PRDIHMQIRYVANF-UHFFFAOYSA-N 312.236 3.001 10 10 DGCE Nc1ccc(CCS(=O)(=O)Cc2ccccc2Cl)cc1 236353363 SIFZFCWCVJRYEB-UHFFFAOYSA-N 309.818 3.080 10 10 DGCE CN(c1ccc(CNC(=O)N2CCCO2)cc1)C1CCCCC1 291430104 ZDTNWURCCQJITI-UHFFFAOYSA-N 317.433 3.302 10 10 DGCE CN(C)[C@H]1CCCN(Cc2cc(Cl)c(F)cc2O)CC1 294754312 RPSANJLLEVVYJZ-LBPRGKRZSA-N 300.805 3.101 10 10 DGCE Cc1cc(C(=O)N2CCCSCC2)c(C)n1-c1ccccn1 299154442 MGXXIXMDKJAYKO-UHFFFAOYSA-N 315.442 3.068 10 10 DGCE Nc1ccc(CCCN2C[C@H]3C[C@H]2CN3Cc2ccccc2)cc1 379903256 JIMPAJGMNOWUBQ-LEWJYISDSA-N 321.468 3.160 10 10 DGCE CC[C@@H](NCCc1ccc(OC)nc1)c1ccc(F)cc1O 527992378 YRPPWOMIDLUEAO-OAHLLOKOSA-N 304.365 3.218 10 10 DGCE Nc1ccc(C[C@@H](O)Cc2ccc(Br)cc2F)cc1 696516539 YIFZZDKPTOYIHM-CQSZACIVSA-N 324.193 3.317 10 10 DGCE C[C@H]1CCN(Cc2ccccc2)C[C@H]1NCc1ccccc1O 716173107 GYTBWJLNKHIPPD-QFBILLFUSA-N 310.441 3.392 10 10 DGCE COc1cc(Br)cc(CN[C@H](C)C2(C)CC2)c1O 725849898 ZVUWWPPVVLBTKR-SECBINFHSA-N 314.223 3.442 10 10 DGCE C[C@@H](NCc1ccc(Cl)cn1)c1cc([N+](=O)[O-])ccc1O 756788164 BLTPEFAJEMXBTN-SECBINFHSA-N 307.737 3.200 10 10 DGCE COC(=O)c1cc(CN(C)c2ccc(OC)c(F)c2)c(C)o1 757851929 HNLHRVVFYFNSHK-UHFFFAOYSA-N 307.321 3.159 10 10 DGCE Fc1cc(-c2nc(Cc3cnccn3)no2)ccc1-n1cccc1 771649697 YFDKCPJCDGJDOQ-UHFFFAOYSA-N 321.315 3.047 10 10 DGCE COc1ccc(CNC(=O)Cc2ccc(Cl)c(F)c2)c(O)c1 794377358 HOUHNJHSUDLGGW-UHFFFAOYSA-N 323.751 3.052 10 10 DGCE Cc1cc(O)c(CNC2CC(N3CCCCC3)C2)cc1Cl 825749914 XOMPRJFKAZLUKK-UHFFFAOYSA-N 308.853 3.461 10 10 DGCE CCN(CC)C[C@H]1CCN(C/C=C/c2ccc(N(C)C)cc2)C1 835026221 QODGNLHRLPRZRS-IHHMQQGQSA-N 315.505 3.430 10 10 DGCE COc1cccc(CN2CC(F)(c3ccccc3F)C2)c1O 839143179 NKSWXTAEYGEDKX-UHFFFAOYSA-N 305.324 3.221 10 10 DGCE CCOC(CN(CC)Cc1ccc(N(C)C)c(C)c1)OCC 846976694 RBWRXVPJNSSESY-UHFFFAOYSA-N 308.466 3.282 10 10 DGCE CCOc1ccc(O)c(CNC[C@@H]2CCC3(CCCC3)O2)c1 848576995 ZXHYKKOCXPCKFU-INIZCTEOSA-N 305.418 3.372 10 10 DGCE CC[C@H](N[C@H]1CCN(C2CCC2)C1=O)c1cc(Cl)ccc1O 858603954 YIJHLQWZRRHHEY-GJZGRUSLSA-N 322.836 3.240 10 10 DGCE C[C@@H]1CCN(Cc2c(O)cccc2Br)C[C@@H]1F 862302135 XFJZYEUWWDZTCH-SKDRFNHKSA-N 302.187 3.335 10 10 DGCE C[C@H](N[C@@H](C)[C@H](O)C(F)(F)F)c1cc2c(cc1O)CCCC2 866463017 GKOPXZNQQBBSNR-YHAQOWFVSA-N 317.351 3.233 10 10 DGCE COc1ccc(O)c(CN2CCC[C@H](OC3CCC3)CC2)c1 872262262 WILYKMCMGSPVSU-INIZCTEOSA-N 305.418 3.324 10 10 DGCE CC(C)(C)[C@@H](NC(=O)NCc1c(O)cccc1F)C(F)(F)F 930905302 RBGNTEKPYDEGDS-LLVKDONJSA-N 322.302 3.308 10 10 DGCE COC(=O)C1=CC[C@H](N[C@@H]2C[C@H](C)c3c(C)ccc(O)c32)C1 1118808634 UMCVOWNKJSXZIQ-FPMFFAJLSA-N 301.386 3.100 10 10 DGCE c1ccc(-n2cc(NCc3ccc(N4CCCC4)cc3)nn2)cc1 1204120693 SCCOMQMYKQCVDN-UHFFFAOYSA-N 319.412 3.480 10 10 DGCE CCO[C@@H]1C[C@@H](NCc2ccc(N3CCCC3)cc2)[C@@H]1SC 1328378997 JKWAQCXDDOCLTO-KURKYZTESA-N 320.502 3.285 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1C[C@H](SC)C1 1479057306 APZFJTDZFMZHMS-KOMQPUFPSA-N 321.490 3.178 10 10 DGCE O=C(NC[C@@H]1C[C@@H]1C1CCCC1)N1Cc2cccc(O)c2C1 1521342140 CVEQTRWBHFUNKE-LSDHHAIUSA-N 300.402 3.244 10 10 DGCE Cc1cc(C)c(O)c(NC(=O)c2ccc(N=NC(N)=O)cc2)c1 1586936955 RELSMHOQJMEGGI-UHFFFAOYSA-N 312.329 3.424 10 10 DGCE C[C@H](NC(=O)NCc1cc(O)ccc1Cl)c1ccccc1O 1675599652 KUDXKGYVJWREJH-JTQLQIEISA-N 320.776 3.312 10 10 DGCE CC[C@H](C)n1ccc(=O)c(OCCOc2ccc(N)cc2)c1C 1857910913 HRDLKKQYKVXABG-ZDUSSCGKSA-N 316.401 3.168 10 10 DGCE CCC1=NN(CC(C)C)C(=O)/C1=C/c1ccc(C(=O)O)cc1 1865675205 URJMDLIJKRMUGT-NTEUORMPSA-N 300.358 3.032 10 10 DGCE CC(C)(C)OC(=O)NC1(CCCNCc2ccccc2O)CC1 1875816177 WCNNPYZLXQRVNE-UHFFFAOYSA-N 320.433 3.319 10 10 DGCE CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)[C@H](N)c1ccccc1O 1928474957 RZRVAULCUBSEFG-NILFDRSVSA-N 308.422 3.331 10 10 DGCE C[C@H](NCc1ccc(O)cc1O)c1cnn(Cc2ccccc2)c1 1942382364 UXTJAKRYXLKYRA-AWEZNQCLSA-N 323.396 3.193 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H](N)C[C@@H]1c1cc(Cl)ccc1O 1952460260 UTOHGQHCBJUQDX-ZYHUDNBSSA-N 312.797 3.055 10 10 DGCE CC[C@H](NC(=O)OC(C)(C)C)[C@H](NC)c1ccc(N(C)C)cc1 1977946557 VYUGDHLJXLFLSY-JKSUJKDBSA-N 321.465 3.316 10 10 DGCE CC(C)(C)OC(=O)N1CCCC[C@@H]([C@H](N)c2ccccc2O)C1 1984321942 ZFQNPDSMPYGUPY-CJNGLKHVSA-N 320.433 3.429 10 10 DGCE Nc1cccc(Br)c1N[C@@H]1CC[C@H]2[C@H]1C2(F)F 1996510065 YSIZKDDCGNIDEA-WQGWLQIFSA-N 303.150 3.487 10 10 DGCE Oc1c(CNCC2(Br)CCC2)ccc(F)c1F 2002771358 FOBTYGJIGPYTIY-UHFFFAOYSA-N 306.150 3.078 10 10 DGCE C[C@@H](N)c1ccc(N(C)Cc2cocn2)cc1Br 2042269619 DZQADKNASXTSKY-SECBINFHSA-N 310.195 3.093 10 10 DGCE CC[C@H](c1cc(Br)ccc1O)N(C)[C@@H]1CC[C@H]1N 2043165241 KPTHIBSSZLXFAU-JHJVBQTASA-N 313.239 3.027 10 10 DGCE C[C@@H]1CC[C@H](CNCc2c(O)cccc2Br)OC1 2053740286 JOWSYLSTGQUVDO-GHMZBOCLSA-N 314.223 3.059 10 10 DGCE O=C(NCc1c(O)cc(O)cc1O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 2064802884 VDTPQVWEVONFFY-FRRDWIJNSA-N 319.401 3.026 10 10 DGCE Oc1c(Br)cccc1Cn1ccc(C(F)F)n1 2070110637 IVZWHLQYHURMDK-UHFFFAOYSA-N 303.106 3.337 10 10 DGCE CCN1CCc2cc([C@@H](N)c3ccc(Br)o3)ccc21 2106792709 GOCMYWBAENLUBL-OAHLLOKOSA-N 321.218 3.473 10 10 DGCE C[C@H](N)c1ccc(N(C)Cc2c(Cl)ncn2C)cc1Cl 2168144632 DKENJWWSONMBOR-VIFPVBQESA-N 313.232 3.383 10 10 DGCE CCNCc1ccc(N(C)[C@@H]2CCOC[C@@H]2F)cc1Cl 2186754451 NEKAKFPJWAURLY-LSDHHAIUSA-N 300.805 3.013 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@]12CO[C@](CF)(C1)C2 2202751241 ZCHGKQZWRUKGAY-OKILXGFUSA-N 320.191 3.307 10 10 DGCE CN(C)c1ccc(CNC(=O)c2cocc2Br)cc1 2270473826 LGDCGSNAHFGFQA-UHFFFAOYSA-N 323.190 3.038 10 10 DGCE C[C@@H](O)c1ccc(N(CCF)CCF)c(Br)c1 2301660903 RSOXYPCFOYSFGS-SECBINFHSA-N 308.166 3.248 10 10 DGCE CCCN1N=C(CC)C(=Cc2ccc(OC)cc2OC)C1=O 2332140407 CWRKWYHDSJLSHM-UHFFFAOYSA-N 302.374 3.105 10 10 DGCE C[C@]1(O)C[C@@H]2C[C@H]1C[C@@H]2NCc1cc(Cl)cc(Cl)c1O 2355716052 RADPVPUGBZBTTD-BOCCBSBMSA-N 316.228 3.338 10 10 DGCE CCc1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1 215208 JRYZFGIOWSGSLH-UHFFFAOYSA-N 319.411 3.055 10 10 DGCE CCC(CC)N(CCO)c1ccc(CN)c(C(F)(F)F)c1 42482748 DEULBBIWRVUIGY-UHFFFAOYSA-N 304.356 3.151 10 10 DGCE Nc1ccc(OC[C@@H](O)CSc2ccc(Cl)cc2)cc1 51328224 SBGUEVCVZVZSKN-CYBMUJFWSA-N 309.818 3.454 10 10 DGCE CN(C)c1ccc(CNC(=O)CCc2ccc3cc[nH]c3c2)cc1 75550863 NHMRXKIHELSXJY-UHFFFAOYSA-N 321.424 3.483 10 10 DGCE CN[C@@H](C)c1ccc(N2CCN(CC3CC3)CC2)cc1Cl 78905599 BTENJNUDWQKACX-ZDUSSCGKSA-N 307.869 3.152 10 10 DGCE Cc1cc(CNC(=O)CCOc2ccc(N)cc2)sc1C 87578822 FIIVMGHFDANPOV-UHFFFAOYSA-N 304.415 3.032 10 10 DGCE Oc1ccc(Br)cc1CN[C@@H]1COc2ccccc21 105468277 QXWDQQDJUNIPHQ-CYBMUJFWSA-N 320.186 3.378 10 10 DGCE C[C@@H](N[C@@H]1CCCn2ncnc21)c1cc2c(cc1O)CCCC2 185663014 TVAMKFBXOPUEOC-MLGOLLRUSA-N 312.417 3.048 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1NCc1ccccc1O 230684966 AILHQXKBDJHKDC-ZFWWWQNUSA-N 320.433 3.175 10 10 DGCE C[C@@H](N)c1ccc(N(C)C[C@H]2CCCO2)cc1Br 235205012 KOGCPJSTFRWXBZ-ZYHUDNBSSA-N 313.239 3.084 10 10 DGCE C[C@@H](NCC(C)(C)NC(=O)OC(C)(C)C)c1c(O)cccc1O 235207173 MFYNRHXOSBOAAT-LLVKDONJSA-N 324.421 3.052 10 10 DGCE C[C@H](N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccc(F)c(F)c1O 249106589 QPBFPMJBRLWMGG-CWAOCDLLSA-N 309.356 3.279 10 10 DGCE COc1cccc(CNC(=O)C/C=C\c2ccc(F)cc2)c1O 255422559 VIVLRMJTRIFWBZ-RQOWECAXSA-N 315.344 3.260 10 10 DGCE CN[C@H](C)c1ccc(N(CCOC)Cc2ccccc2)cc1O 384411519 WQZMRWXVAZJPLH-OAHLLOKOSA-N 314.429 3.326 10 10 DGCE CCN(C(=O)/C=C/c1cnc2ccccc2n1)c1ncccc1C 492640536 MMHUMGBGTPSVGH-ZHACJKMWSA-N 318.380 3.400 10 10 DGCE NCc1ccc2c(c1)CCCN2Cc1ccc(Br)o1 700867872 JKXQCXFIUFGXGE-UHFFFAOYSA-N 321.218 3.454 10 10 DGCE C[C@@H](CC(=O)NCc1ccc2c(c1)CCCN2C)n1cccc1 729262517 ULMFWWSPQPNHQQ-HNNXBMFYSA-N 311.429 3.138 10 10 DGCE C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CC1(C)C 785437856 ZWLIFBKKEIKCDT-BEFAXECRSA-N 316.489 3.420 10 10 DGCE CC(C)OC[C@@H](C)NCc1cc(Br)ccc1O 809713668 WZQLWUKBXDERQN-SNVBAGLBSA-N 302.212 3.058 10 10 DGCE Cc1cc(Cl)cc(CN[C@H](CC(N)=O)c2ccccc2)c1O 816653336 OGDUNRVTASVWAW-OAHLLOKOSA-N 318.804 3.060 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CCC[C@@H]2C2CC2)cc1 823563663 DYBZJIBMHNGTJB-UKRRQHHQSA-N 314.389 3.405 10 10 DGCE Cc1cc(CC(=O)NC[C@H]2CCC=CO2)c(C)n1-c1ccccc1 832644628 FHBOVDMKLTVKJK-LJQANCHMSA-N 324.424 3.446 10 10 DGCE C[C@H](NCC1(CF)CCOCC1)c1cc(Cl)ccc1O 834884941 FJZVZBBQEBSHMG-NSHDSACASA-N 301.789 3.463 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@H]2c3ccccc3C[C@H]2O)cc1 835043812 ZKEATWMGWUGNCX-KPDZFXRVSA-N 308.425 3.014 10 10 DGCE CN(C)c1ccc(/C=C\CN2CC[C@@H](O)CC(C)(C)C2)cc1 835054658 LZCBAWLLDHLVDS-OOFWQKGWSA-N 302.462 3.249 10 10 DGCE CCN1C[C@H](CSc2ncc(-c3ccccc3)n2C)OC1=O 848427300 VKNMKNAVALVPAW-CYBMUJFWSA-N 317.414 3.020 10 10 DGCE COC[C@@H](N[C@@H]1CCN(c2ccc(OC)cc2)C1)C1CCCC1 850489465 USHXXSIDPCDGOY-VQIMIIECSA-N 318.461 3.069 10 10 DGCE CC[C@@H](N[C@@H]1CC=C(C(=O)OC)C1)c1ccc(N(C)C)cc1 858474232 XCPDBSDDFOPJCN-NVXWUHKLSA-N 302.418 3.055 10 10 DGCE COC(=O)c1cnc(CSc2ncc(C(C)(C)C)s2)cn1 863314366 HPRSEGOHHTVCOK-UHFFFAOYSA-N 323.443 3.310 10 10 DGCE CC[C@@H](Cc1cccc(C)c1)C(=O)NCc1cccc(O)c1O 1123890552 ZUWGYBYTSWIERC-HNNXBMFYSA-N 313.397 3.291 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)Nc1nccc2ccccc12 1157880751 HKGJIPBBODQADQ-VURMDHGXSA-N 306.321 3.298 10 10 DGCE CC1(C)[C@@H]2CC[C@@]1(C(=O)NCc1cccc(Cl)c1O)C(=O)C2 1350803266 FSWCNGRMMLPWQY-DIFFPNOSSA-N 321.804 3.057 10 10 DGCE COc1ccc(CNC(=O)/C=C/CCc2ccccc2)c(O)c1 1448384902 SQSGRHWNPDAOHD-UXBLZVDNSA-N 311.381 3.206 10 10 DGCE CC(C)[C@@H]1C[C@H]1NC(=O)NCc1c(O)ccc2c1CCCC2 1470447606 IZCMWSVZEXYRAZ-GOEBONIOSA-N 302.418 3.115 10 10 DGCE CCCCC(=O)N[C@H](C)[C@@H](C)NCc1ccc(OC)c(C)c1 1505561326 KMZRAPPGTMGDSX-HUUCEWRRSA-N 306.450 3.177 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)[C@@H]2C[C@]2(C)C(C)C)cc1 1531374427 CCCWVSDRUQWYMB-PKOBYXMFSA-N 318.461 3.272 10 10 DGCE COc1ccc(N(CC(C)C)C[C@@H]2CN(C3CC3)C(=O)O2)cc1 1618637565 NPYCBULLPXJLRV-QGZVFWFLSA-N 318.417 3.141 10 10 DGCE CCCC[C@H](O)CCC(=O)NCc1ccc2c(c1)CCCN2C 1626940866 OOZHANBBEMYYBR-KRWDZBQOSA-N 318.461 3.017 10 10 DGCE Cc1ccc(NC(=O)CCNCc2cc(C)ccc2O)c(C)c1 1857853377 WPNSCUDUJPBOAT-UHFFFAOYSA-N 312.413 3.436 10 10 DGCE [N-]=[N+]=N[C@H]1CCN(CC(=O)Nc2cc(Cl)ccc2Cl)C1 1912184757 HLBMLANZACPYHK-VIFPVBQESA-N 314.176 3.317 10 10 DGCE CCN(CCSC)c1c(F)cc(C=CC(=O)O)cc1F 1917011399 KFKWKVCEJHUIGZ-UHFFFAOYSA-N 301.358 3.252 10 10 DGCE C[C@@H](O)c1ccc(N2CC[C@@](C)(F)C2)cc1Br 1946967450 HADQWXDNJYBBPD-NOZJJQNGSA-N 302.187 3.441 10 10 DGCE CN[C@@H](C)c1ccc(N2CC(SC)C2)c(Br)c1 1948315672 USPULRFRTXQBHB-VIFPVBQESA-N 315.280 3.281 10 10 DGCE Cc1cccc(O)c1CN[C@H](C)[C@H](C)NC(=O)OC(C)(C)C 1958794777 RZFYFFXQXJHFKS-OLZOCXBDSA-N 308.422 3.092 10 10 DGCE Oc1c(F)cc(Br)cc1CN1CC[C@H](CCF)C1 1969936290 KKGKBRRXQVVPRE-VIFPVBQESA-N 320.177 3.475 10 10 DGCE CCCN(CCNCc1c(C)cccc1O)C(=O)OC(C)(C)C 1976875657 MWMAMBWKUPXIJB-UHFFFAOYSA-N 322.449 3.437 10 10 DGCE CC1(CNC(=O)OC(C)(C)C)CCN(c2ccc(N)cc2)CC1 1977933250 HQADNMNKRPMSOO-UHFFFAOYSA-N 319.449 3.400 10 10 DGCE CN(C)c1ccc([C@H](O)C2(NC(=O)OC(C)(C)C)CCC2)cc1 1977938287 HVIWCJCVKLJPOT-HNNXBMFYSA-N 320.433 3.233 10 10 DGCE CC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](N)c1ccc(N(C)C)cc1 1977944478 GMWYBROUQIHMJZ-XJKSGUPXSA-N 321.465 3.303 10 10 DGCE CNCc1ccc(N2CC[C@@H](C)[C@H](F)C2)c(Br)c1 2034801234 CLVPNBIQMKGBAK-ZWNOBZJWSA-N 315.230 3.353 10 10 DGCE CN(Cc1cccc(Br)c1O)[C@@H]1CCOC1(C)C 2036282170 XDIBCFNOZIKBDA-GFCCVEGCSA-N 314.223 3.154 10 10 DGCE C[C@@H](N)c1ccc(N(C)[C@@]2(C)CCOC2)cc1Br 2055447017 ALXWXFVCIOQZNS-YGRLFVJLSA-N 313.239 3.084 10 10 DGCE CN(Cc1ccccc1O)c1cc(Br)ccc1N 2072451724 ZVQMOQAWKNDOHZ-UHFFFAOYSA-N 307.191 3.373 10 10 DGCE C[C@@H]1CC[C@@H](CN(C)Cc2c(O)cccc2Br)O1 2075393840 YNZYFZQAFKNHHK-MNOVXSKESA-N 314.223 3.154 10 10 DGCE CN[C@@H](c1ccc(N(C)C)cc1)c1ncccc1Br 2106794501 XMVZDNKPQVVWQT-AWEZNQCLSA-N 320.234 3.219 10 10 DGCE CN(C)c1ccc([C@@H](O)c2ccc(N)c(Br)c2)cc1 2106800002 CLWSZJOVOOIAKA-OAHLLOKOSA-N 321.218 3.179 10 10 DGCE C[C@@H](O)c1ccc(N2CCS[C@@H]3COCC[C@H]32)cc1Cl 2170505235 ODXPPBYUTMAFBB-VCTAVGKDSA-N 313.850 3.104 10 10 DGCE CC[C@H]1CN(c2ccc(OC)cc2Br)[C@@H](C)CN1 2221629821 ZBQPPZVWWUGBLW-QWRGUYRKSA-N 313.239 3.034 10 10 DGCE CN(c1ccc(CN)c(Br)c1F)[C@H]1C[C@@H]2C[C@@H]2C1 2222652581 GQYWDIBUIUKFMT-JGPRNRPPSA-N 313.214 3.282 10 10 DGCE COc1ccc(NCc2cccc(Br)c2O)c(C)n1 2266847400 PPAZXNWIIUMUDW-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE CSc1ncc(CNC(=O)c2cc(N)ccc2Cl)s1 2269134866 QTGLWRVYYKGCRZ-UHFFFAOYSA-N 313.835 3.031 10 10 DGCE OCc1ccc(N2C[C@@H]3C[C@H](C(F)(F)F)[C@@H]3C2)cc1Cl 2281134924 WBHWPMHGUGEZPU-WCQGTBRESA-N 305.727 3.467 10 10 DGCE CSc1ncc(CNC[C@@H]2CC[C@@](C)(CO)C2(C)C)s1 2284727792 NBTRCNLVUZHSGM-NHYWBVRUSA-N 314.520 3.389 10 10 DGCE COc1ccc(O)c(CNC(=O)C=C(C)c2cccc(F)c2)c1 2297574854 RPZNEGJKCRJEGZ-UHFFFAOYSA-N 315.344 3.260 10 10 DGCE CO[C@@H]1C[C@H]2C[C@@H]1C[C@@H]2Nc1c(N)cccc1Br 2308687259 CELCSYKLALKFHX-MNUQUWEESA-N 311.223 3.257 10 10 DGCE CCN[C@@H](C)c1ccc(N2CCOC[C@@H](F)C2)c(Cl)c1 2361809305 VGZLUUMLBDOOQL-AAEUAGOBSA-N 300.805 3.185 10 10 DGCE C[C@@H](NCc1ncc(C(F)F)s1)c1cc(O)ccc1O 2369603139 JVFRPYVEOZSFOU-SSDOTTSWSA-N 300.330 3.343 10 10 DGCE CCCC1=NN(c2ccccc2)C(=O)/C1=C(\C)NCCCOC 13532757 RHPSSPBZTKFZJD-SAPNQHFASA-N 315.417 3.089 10 10 DGCE NC(=O)c1cccc2c1N[C@H](c1ccc(O)cc1O)[C@@H]1CC=C[C@H]21 13639718 UFCFBSXOMZUVDV-JKDFXYPNSA-N 322.364 3.023 10 10 DGCE c1cc(N2CCCNCC2)ccc1CNC1CCCCCC1 84846288 WCHSWDCTNAKOHE-UHFFFAOYSA-N 301.478 3.299 10 10 DGCE COc1cc(N(C)Cc2nc(C)c(C)s2)cc(OC)c1OC 88601700 HHAANZWGTNOOHT-UHFFFAOYSA-N 322.430 3.422 10 10 DGCE C[C@H](N)c1ccc(N2C[C@@H](C)O[C@H](C)C2)c(Br)c1 109566173 POUXBMCNMNWGDM-MXWKQRLJSA-N 313.239 3.082 10 10 DGCE CC[C@]1(C)C[C@H]1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 136793597 LRSXDKMQYIBYHE-TXPKVOOTSA-N 317.429 3.336 10 10 DGCE CCN(CC)c1ccc(CN[C@@H]2C[C@@H](C)N(C)C[C@@H]2C)cc1F 158705305 XDSHRKJONXCZCY-HDMKZQKVSA-N 321.484 3.490 10 10 DGCE CC[C@@H](NC[C@H](C)Cn1ccnc1)c1ccc(N(C)C)cc1 178057091 JGFIOXMSZYMBKY-MAUKXSAKSA-N 300.450 3.326 10 10 DGCE COc1ccc(O)c([C@@H](C)N[C@@H](C)Cc2c(C)nn(C)c2C)c1 185559287 UZWOVWSSAXFIEX-NWDGAFQWSA-N 317.433 3.033 10 10 DGCE CC(C)N(CCNCc1ccccc1O)C(=O)OC(C)(C)C 227653436 IVJGWDXXFHLWRQ-UHFFFAOYSA-N 308.422 3.127 10 10 DGCE C[C@H](N[C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)c1ccccc1O 686281612 VYSFQCFYPWEOKN-STQMWFEESA-N 320.433 3.298 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)C(C(F)(F)F)C(F)(F)F 692850019 XPSMAQOIDBREON-YFKPBYRVSA-N 304.194 3.029 10 10 DGCE CSC[C@H]1CCN(c2ccc(CN)c(Br)c2)C1 706660202 UJAPRXNNRMENFA-JTQLQIEISA-N 315.280 3.097 10 10 DGCE CSC[C@H]1CCN(c2ccc(CN)c(C(F)(F)F)c2)C1 706660876 MPDJCEJGSOWEIG-JTQLQIEISA-N 304.381 3.353 10 10 DGCE Oc1c(F)cc(Br)cc1CNC[C@H]1CC12CC2 715818781 RRRANIMJAQWPDW-SECBINFHSA-N 300.171 3.184 10 10 DGCE Cc1ccc([C@H](C)Nc2cccc([C@H]3CNC(=O)C3)c2)c(O)c1 757619050 KDWPHTDXSDTKBX-DZGCQCFKSA-N 310.397 3.477 10 10 DGCE CCN(CC)c1ccc(CNC(=O)c2cccc(O)c2)cc1F 780934038 GEQQCJDKZPPTSY-UHFFFAOYSA-N 316.376 3.308 10 10 DGCE Oc1cc2c(cc1CN1CCC[C@@H](OC(F)F)C1)CCCC2 781150921 GOGLLQZQYWRIHK-OAHLLOKOSA-N 311.372 3.475 10 10 DGCE Cc1cc(O)c(CNC/C=C/CNC(=O)OC(C)(C)C)cc1C 789866936 VAQUXWLGWGMHIT-VOTSOKGWSA-N 320.433 3.180 10 10 DGCE CCN(CC)c1ccc(CNC(=O)COc2ccsc2)cc1 799905898 VLOSVVJTWSQJHF-UHFFFAOYSA-N 318.442 3.290 10 10 DGCE O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1CC12CC2 823880158 NEEXSDCWYSICKR-SNVBAGLBSA-N 301.173 3.051 10 10 DGCE CC[C@H](NC[C@]1(CO)CCc2ccccc21)c1ccccc1O 846012374 YXGTUBBNQRGTIN-ICSRJNTNSA-N 311.425 3.309 10 10 DGCE CN(c1ccc(CNC2=NCCCCN2)cc1)C1CCCCC1 849216205 ZAJJXPZJADQDEH-UHFFFAOYSA-N 314.477 3.285 10 10 DGCE COc1cc(CN[C@@H]2C[C@@H](O)C23CCC3)c(O)c(C(C)(C)C)c1 850388514 NIGLHAXHUBYORD-HZPDHXFCSA-N 319.445 3.091 10 10 DGCE O=C(O)[C@@H](CNCc1cc(Cl)cc(Cl)c1O)C1CCC1 854248186 QAICWEVIXZFTST-NSHDSACASA-N 318.200 3.290 10 10 DGCE COc1ccc(N2CC[C@@H](CNC(=O)[C@H]3CCC3(C)C)C2)cc1 854980750 GLUCSWDBFSUIRS-WMLDXEAASA-N 316.445 3.074 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)N(CCC1CC1)CC1CC1 856283810 PHJHZAHRWAANLP-VURMDHGXSA-N 301.386 3.150 10 10 DGCE CN(C)c1ccc(CN[C@H]2c3ccccc3OC[C@@H]2F)cc1F 866247993 IWBCCIRSNACPTB-YJBOKZPZSA-N 318.367 3.453 10 10 DGCE c1cc(N2CCCCC2)ccc1CNc1n[nH]c2c1COCC2 886207413 BNLYRAGPOCRQPH-UHFFFAOYSA-N 312.417 3.085 10 10 DGCE O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@@H](CF)C1 899207717 ZEESREJFBRGHGE-VIFPVBQESA-N 309.362 3.134 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2C(=O)C1(C2CC2)CCC1 906854006 FHNXJAXDAWOSGY-UHFFFAOYSA-N 300.402 3.058 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)NCC[C@H]1CCCC1(F)F 914417948 YCBHWUCKZJFMGI-FVOPLDGLSA-N 311.328 3.053 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@H]1COC[C@H]1C1CC1 914433242 MKPJQNZZJUSCJD-AAEUAGOBSA-N 302.201 3.214 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCCC[C@H]2N)cc1 1118287438 ZLMAPVQOIUNTHB-ZWKOTPCHSA-N 317.477 3.009 10 10 DGCE Cc1cc(C)c2c(c1)N(C(=O)/C=C\c1cnccc1C)CCO2 1130699523 GXBVIEVXCZUEJF-PLNGDYQASA-N 308.381 3.446 10 10 DGCE Cc1cc(C(=O)NCc2cc(Cl)ccc2O)sc1C=O 1146233095 QIEOGWVDJMMJBT-UHFFFAOYSA-N 309.774 3.158 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)c2c(C)cccc2F)c1 1252981211 ILPHXOGDHFKAPU-LLVKDONJSA-N 303.333 3.339 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CCCc3c2n[nH]c3C)c1O 1308144195 ZIYUYZKJTMRUJX-UHFFFAOYSA-N 319.792 3.233 10 10 DGCE Cc1ccc2oc(CNC(=O)NCc3ccccc3O)cc2c1 1478978306 JPNCIDKIBIZCTQ-UHFFFAOYSA-N 310.353 3.446 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cncs1 1523553157 GPMOVIBHJLHEEK-UHFFFAOYSA-N 301.415 3.016 10 10 DGCE CC(C)(C(=O)NCc1cccc(Cl)c1O)c1cccc(O)c1 1640404533 CGQKMTQKAIMPQH-UHFFFAOYSA-N 319.788 3.345 10 10 DGCE COc1ccc(N(CCc2ccccc2)Cc2cnn(C)n2)cc1 1644865948 OCJMOCFYHSQWFA-UHFFFAOYSA-N 322.412 3.073 10 10 DGCE COC(=O)c1sc(NCc2cc(C)ccc2O)nc1Cl 1652059557 IIQOAVAJELNNHJ-UHFFFAOYSA-N 312.778 3.209 10 10 DGCE COC(=O)C1CCN(/N=N/c2cc(Cl)ccc2OC)CC1 1860486177 QMFHBCVDDHGAGT-WUKNDPDISA-N 311.769 3.232 10 10 DGCE CCN1N=C(c2ccccc2)/C(=C/c2ccccc2OC)C1=O 1865679546 SDRJTLJLNMRIBS-SSZFMOIBSA-N 306.365 3.345 10 10 DGCE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[C@@H](N)c1ccccc1O 1936972947 DLKHWVMPCSJMAL-XPKDYRNWSA-N 320.433 3.285 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H](C1CCC1)[C@H](N)c1ccccc1O 1936986487 IKUWWBCVGVVHFZ-GOEBONIOSA-N 320.433 3.333 10 10 DGCE Cc1ccc(O)c([C@@H](C)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c1 1938278572 BFZWYDSILDDJNP-MCIONIFRSA-N 320.433 3.407 10 10 DGCE Oc1cc(OCc2ccccc2)ccc1[C@@H]1NCCCC[C@@H]1O 1952133505 YEVANUYZRHPBAD-HKUYNNGSSA-N 313.397 3.147 10 10 DGCE CC(C)(C)OC(=O)Nc1ncc(COc2ccc(N)cc2)o1 1952754031 CYDWQRYDGGORIM-UHFFFAOYSA-N 305.334 3.183 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@H]2Nc1ccc(N)cc1 1959366161 SGUCWRFSMXSBQO-BYCMXARLSA-N 303.406 3.079 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1CCCN(CCCCN=[N+]=[N-])C1 1962299920 OSYCHQCTPIFKQS-ZDUSSCGKSA-N 311.430 3.314 10 10 DGCE CC(C)(NCc1ccc(Br)cc1O)[C@@H]1CCCO1 1967842887 FOMDXKXLXDCCJT-ZDUSSCGKSA-N 314.223 3.202 10 10 DGCE CN[C@H](c1ccccc1O)[C@@H]1C=CCN(C(=O)OC(C)(C)C)C1 1976513173 MMBISOWQESSKPK-CJNGLKHVSA-N 318.417 3.076 10 10 DGCE Cc1cccc(O)c1CNCc1cnn(Cc2ccccc2)c1 1976876996 IHBVCFHLHDVNFZ-UHFFFAOYSA-N 307.397 3.235 10 10 DGCE C[C@@H](Nc1c(N)cccc1F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 1977671681 YYOURKZKWULIPW-NEPJUHHUSA-N 323.412 3.465 10 10 DGCE CC[C@@](N)(c1ccc(N(C)C)cc1)[C@@H](C)NC(=O)OC(C)(C)C 1977944236 CJDXXICBMCHQPE-ACJLOTCBSA-N 321.465 3.230 10 10 DGCE C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@]1(N)c1ccccc1O 1991568385 LANWQOGMHHPSEX-UGSOOPFHSA-N 320.433 3.213 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[C@@]21COc1ccc(N)cc1 1992519557 KSHXGAIEYNIBQP-WBHUJUFNSA-N 318.417 3.341 10 10 DGCE CN(CCN=[N+]=[N-])C(=O)c1c(Cl)cccc1Br 2003558596 XLSCBSIFLWTTEC-UHFFFAOYSA-N 317.574 3.485 10 10 DGCE COc1ccc(Cn2ncc(C3CCCCC3)c2N)c(O)c1 2070279991 AXEIQUMCOKHXQE-UHFFFAOYSA-N 301.390 3.276 10 10 DGCE C[C@@H](O)c1ccc(N(C)C[C@@]2(Br)CC2(F)F)cc1 2082519551 SMWFYQPAFGZHDL-SKDRFNHKSA-N 320.177 3.349 10 10 DGCE Oc1ccc(Cl)cc1CN[C@@H]([C@H]1CCOC1)C(F)(F)F 2143639131 RFSWTPXCSLAGNW-UFBFGSQYSA-N 309.715 3.103 10 10 DGCE C[C@@H](O)c1ccc(N(C)Cc2c(Cl)ncn2C)c(Cl)c1 2168142192 RKVNRXANAKWCJJ-SECBINFHSA-N 314.216 3.417 10 10 DGCE COc1cc(Cl)cc(CNC[C@@H]2C[C@@]2(C)C(F)F)c1O 2177407746 PCZYFOZSZJZTBE-LKFCYVNXSA-N 305.752 3.435 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1C[C@H]2CC[C@H]1[C@@H](O)C2 2204611048 PMHQZFPYFMKBFQ-GFCLTOETSA-N 316.228 3.338 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)Nc1cc(F)c(F)cc1F 2307987383 YPYIJUKZOISYLA-UHFFFAOYSA-N 309.243 3.167 10 10 DGCE CCOc1cc(C=C2SC(=S)NC2=O)ccc1OC(C)C 2313670703 QJRITDXEYHOJKR-UHFFFAOYSA-N 323.439 3.361 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@H]1[C@@H]2CCOC[C@@H]21 2331253129 OZDOANSEBKWIDF-SRVKXCTJSA-N 302.201 3.071 10 10 DGCE CC1=NN(Cc2ccccc2Cl)C(=O)C1=Cc1cccn1C 2332127537 HOABDFJCABLRLP-UHFFFAOYSA-N 313.788 3.480 10 10 DGCE Cc1ccc(CNC(=O)[C@H]2CC[C@@H]3C[C@H]23)c(O)c1Br 2352640038 FHGRMGAJMBEEEU-USWWRNFRSA-N 324.218 3.125 10 10 DGCE NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(O)cc1O)N2 13639670 RABVUMJFFGARJV-SNUQEOBHSA-N 322.364 3.023 10 10 DGCE CN(Cc1ccccc1O)C(=O)[C@@H]1Cc2cc(Cl)ccc2O1 53915056 QVYLSFFMHTTXBY-INIZCTEOSA-N 317.772 3.008 10 10 DGCE Cc1ccc(O)c(CN2CCN(c3ccncc3Cl)CC2)c1 93695178 LKYLUXLUTGHUQB-UHFFFAOYSA-N 317.820 3.071 10 10 DGCE CN1CCc2cc([C@H]3NC(=O)c4ccc(Cl)cc4N3)ccc21 130178927 NTWGNWCZKCYXBE-MRXNPFEDSA-N 313.788 3.186 10 10 DGCE CC[C@@H](c1ccccc1O)N1CCN(CC(F)(F)F)CC1 134087152 VAWXGIJVNYOKJB-ZDUSSCGKSA-N 302.340 3.023 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)Cc2c(C)cccc2C)c1 180735988 MBQZFADSBYCRRM-CQSZACIVSA-N 313.397 3.438 10 10 DGCE C[C@@H](NCCCNC(=O)c1cccs1)c1ccc(F)cc1O 186031565 CICUORWBNLROQK-LLVKDONJSA-N 322.405 3.064 10 10 DGCE C[C@@H](NCCCN(C)C(=O)OC(C)(C)C)c1ccc(O)cc1O 227611534 VIBORARDDWXBNW-GFCCVEGCSA-N 324.421 3.005 10 10 DGCE CC(=O)N(C(=S)Nc1c(F)cccc1F)c1ccc(N)cc1 243391152 MMIFVMSLWQOQQE-UHFFFAOYSA-N 321.352 3.297 10 10 DGCE CC(C)N1CCC(N(C)Cc2cc(Cl)c(F)cc2O)CC1 294876837 KPCDVFXRKKBOEC-UHFFFAOYSA-N 314.832 3.489 10 10 DGCE CN(C(=O)c1cccn1Cc1ccccc1)c1ccc(N)cc1 702096654 BFUIOWPWVVQAGA-UHFFFAOYSA-N 305.381 3.395 10 10 DGCE NCc1cc(F)c(N2CCC[C@@H]2C2CC2)cc1Br 706666789 ZBWVRSNJUHIVMA-CYBMUJFWSA-N 313.214 3.426 10 10 DGCE Oc1c(Br)cc(Cl)cc1CNc1cn[nH]c1 708159116 VOYDXKRPGHKPEX-UHFFFAOYSA-N 302.559 3.143 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2C[C@H]3CSC[C@@H]3C2)c1O 711550306 UJWAPQJWRDXQIZ-RYUDHWBXSA-N 311.834 3.043 10 10 DGCE C[C@]1(C(F)(F)F)CN(Cc2cc(Cl)ccc2O)CCO1 712804800 ZCZVRZQGEOGQKP-GFCCVEGCSA-N 309.715 3.199 10 10 DGCE COC(C)(C)[C@@H](C)NCc1c(O)cccc1Br 720288237 MSQPFDFDKUGUMZ-SECBINFHSA-N 302.212 3.058 10 10 DGCE C[C@@H](CNCc1ccc(Br)cc1O)[C@@H]1CCCO1 720540665 IDUNHHCYHCXVPB-HZMBPMFUSA-N 314.223 3.059 10 10 DGCE C[C@H](OC(=O)c1cc(O)cs1)C(=O)c1cc(F)ccc1F 732353855 BNTQZGNXVRWJFL-ZETCQYMHSA-N 312.293 3.160 10 10 DGCE COCCN(CCc1ccccc1)c1ccc(OC)c(OC)c1 746478113 NQQTTYQORZDNRR-UHFFFAOYSA-N 315.413 3.399 10 10 DGCE C[C@H](NC(=O)N1CC[C@H](C)[C@@H](F)C1)c1ccc(N(C)C)cc1 773616380 JUYDCYOSXOEWSS-XEZPLFJOSA-N 307.413 3.203 10 10 DGCE CN(C)c1ccc(CNC(=O)C23CC(c4ccccc4)(C2)C3)cc1 790199941 OLGYXKBUZYDPQF-UHFFFAOYSA-N 320.436 3.491 10 10 DGCE CCOCc1cc(CN[C@H]2CCCC[C@@H]2OC)ccc1OC 799351919 JXWMJLFDLMXQJE-WMZOPIPTSA-N 307.434 3.279 10 10 DGCE Cc1cc(Cl)cc([C@H](C)NC[C@H](CO)c2cccnc2)c1O 808717175 ATYFXBJVALOUQN-GXTWGEPZSA-N 320.820 3.176 10 10 DGCE CCOC(=O)c1ccc(CNCc2cc(Cl)cc(C)c2O)o1 809742893 HLBGTXDBSPYALN-UHFFFAOYSA-N 323.776 3.414 10 10 DGCE Oc1cccc(Cl)c1CN1CC(O)(c2ccc(Cl)cc2)C1 811509018 IYZPKQBZYOKDCE-UHFFFAOYSA-N 324.207 3.402 10 10 DGCE C[C@@H](Nc1ncnc2c1ncn2C1CC1)c1ccc(N(C)C)cc1 814259613 UVMILGFVWDJJCR-GFCCVEGCSA-N 322.416 3.400 10 10 DGCE Cc1cccc(CN2CCN(CC(F)(F)F)C[C@H](C)C2)c1O 825124118 ICVLBHYMDHOWCV-GFCCVEGCSA-N 316.367 3.017 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@H](CO)c2cccc(F)c2)cc1 835038625 BZTQTIZFAVOTBC-VZSQWMKGSA-N 314.404 3.228 10 10 DGCE Cc1cc(O)c(CNC[C@](C)(O)c2ccccc2)c(Cl)c1 840897109 JNUANPLFPVKADQ-KRWDZBQOSA-N 305.805 3.351 10 10 DGCE CC(C)(C)C1CCN(C(=O)NCCc2ccc(N)cc2)CC1 841953530 ACJNISZVUFUPMH-UHFFFAOYSA-N 303.450 3.279 10 10 DGCE Cc1cccc2nc(CCN[C@H](C)c3cc(F)ccc3O)cn12 842932452 ALWOOMLBXRPXNO-CYBMUJFWSA-N 313.376 3.381 10 10 DGCE COC1(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC1 843776537 PASHUJDBNQDDAC-UHFFFAOYSA-N 316.445 3.251 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@H](C)c3csc(C)n3)C2)cc1 850489143 RFPDRPQXVOEEQJ-TZMCWYRMSA-N 317.458 3.390 10 10 DGCE CC1(CNCc2ccc(N3CCOCC3)cc2)C[C@@H]2C[C@H]2C1 858290845 IMNCANLSBCULES-IRXDYDNUSA-N 300.446 3.049 10 10 DGCE C[C@@H]1CCN(Cc2c(O)cccc2Br)C[C@H]1F 862302132 XFJZYEUWWDZTCH-BXKDBHETSA-N 302.187 3.335 10 10 DGCE COC[C@H](C)OC(=O)NCc1ccc(N2CCC(C)CC2)cc1 866753397 RHFXUVACUISONF-HNNXBMFYSA-N 320.433 3.184 10 10 DGCE CCc1noc([C@@H]2CC[C@H](N[C@H](C)c3ccc(F)cc3O)C2)n1 927054131 USHVZNAZUFWTHT-WZRBSPASSA-N 319.380 3.464 10 10 DGCE Cc1cc(CN2CC[C@@]23CCOC3)ccc1N1CCCCC1 1117989358 HVWYHQGRFCQRMV-IBGZPJMESA-N 300.446 3.350 10 10 DGCE O=C(c1cc(O)cs1)N1CC(Cc2c(F)cccc2F)C1 1148467498 PDWMZBOWOFUPLA-UHFFFAOYSA-N 309.337 3.047 10 10 DGCE C[C@H]1C[C@@H]1Cn1c(C2CC2)nnc1N(C)Cc1ccccc1O 1304952954 XCNHOVISQOKBLL-SWLSCSKDSA-N 312.417 3.154 10 10 DGCE CN1C[C@@]23CCCC[C@@]2(C1)CN(Cc1ccc(N(C)C)cc1)C3 1308171950 WYTAEAAVSYPOBQ-WOJBJXKFSA-N 313.489 3.060 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@@H](C)[C@@H]1C 1312883410 CSFTWNQSEFTRLL-KBMXLJTQSA-N 317.477 3.432 10 10 DGCE CC1(C)C(C)(C)C1(C)NC(=O)c1ccc(N=NC(N)=O)cc1 1456829576 XMHYCVALMFSNJU-UHFFFAOYSA-N 302.378 3.404 10 10 DGCE COC(=O)CC[C@H]1CCCN(Cc2ccc(N(C)C)c(C)c2)C1 1460715129 BVWMPUSUMOQVBF-MRXNPFEDSA-N 318.461 3.226 10 10 DGCE CCC[C@H](CC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 1539235060 JXWCPMSPSRYDJQ-YJBOKZPZSA-N 319.493 3.298 10 10 DGCE CCCCCCN(C)CC(=O)NCc1cccc(Cl)c1O 1558757237 WFJRCCYZTWMLMP-UHFFFAOYSA-N 312.841 3.174 10 10 DGCE C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Cc1ccc(O)c(O)c1 1629122865 MDNBNUZJVYPZRY-SNVBAGLBSA-N 321.323 3.138 10 10 DGCE Cc1ccc(C(=O)NCc2c(O)ccc3ccccc23)cc1O 1652706152 WTVSCEYBXMFFQE-UHFFFAOYSA-N 307.349 3.489 10 10 DGCE CCOC(=O)c1cc(CN(CC)c2ccc(OCC)cc2)on1 1652845691 RLJOLXORTYLHLL-UHFFFAOYSA-N 318.373 3.277 10 10 DGCE COC(=O)c1ccc(CN[C@@H](C)c2ccccc2O)c(F)c1 1654532167 JKRSXYZGTYPMFZ-NSHDSACASA-N 303.333 3.169 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1C[C@H](C)[C@@H](C)C1 1673745066 RAWAGXTUISJNRZ-JYJNAYRXSA-N 317.477 3.289 10 10 DGCE CCCCC(=O)N(C)C[C@H](C)NCc1ccc(OC)c(C)c1 1700741620 FBMKUCXIHAJULN-HNNXBMFYSA-N 306.450 3.130 10 10 DGCE O=C1c2ccccc2C(=O)c2c(NCC(F)(F)F)cccc21 1857849549 XJYYUOGDYJKKGW-UHFFFAOYSA-N 305.255 3.436 10 10 DGCE Cc1c(C(=O)NC[C@@H]2CCCO2)n(C)c2cc(Cl)ccc12 1858178709 SAFSHVUKPAKMPY-LBPRGKRZSA-N 306.793 3.049 10 10 DGCE O=C1/C(=C\c2cccc(F)c2)SC(=S)N1C[C@H]1CCCO1 1858587432 BJJPAXMMXXTKMA-FMNNIJNLSA-N 323.414 3.206 10 10 DGCE Nc1ccc(Cc2ccc(NC(=O)CC[C@H]3CCCN3)cc2)cc1 1866257852 DSJHMAVFEJAKBK-GOSISDBHSA-N 323.440 3.330 10 10 DGCE C[C@H](O)c1cnc(SCCN(C)C(=O)OC(C)(C)C)s1 1883323950 SWMTZXXWKOTYPX-VIFPVBQESA-N 318.464 3.155 10 10 DGCE Oc1cc2c(cc1O)CN(CCCOCc1ccccc1)CC2 1902003459 LMTBUYGQXMAOLQ-UHFFFAOYSA-N 313.397 3.063 10 10 DGCE Cc1c(Br)cccc1C(=O)N1CC[C@@H](N=[N+]=[N-])C1 1912172426 UJOCAZUOAFAXMB-SECBINFHSA-N 309.167 3.282 10 10 DGCE COc1cccc(Br)c1C(=O)Nc1ccc(N)cc1 1913186198 XTJVLNWJMADXHY-UHFFFAOYSA-N 321.174 3.292 10 10 DGCE CCC[C@H](CNC(=O)OC(C)(C)C)[C@@H](N)c1ccccc1O 1928475188 VFMJQZRMOSSQDS-IUODEOHRSA-N 308.422 3.333 10 10 DGCE COc1ccc(CN[C@]23C[C@H]2CN(Cc2ccccc2)C3)cc1C 1950089217 FHDOXAZBTFAKHR-FPOVZHCZSA-N 322.452 3.368 10 10 DGCE CN(C)c1ccc([C@H]2CNCCCN2C(=O)OC(C)(C)C)cc1 1952419362 WGIXOLHWHYBMAG-MRXNPFEDSA-N 319.449 3.024 10 10 DGCE C[C@H](NCCC1(NC(=O)OC(C)(C)C)CC1)c1ccccc1O 1972579917 GEBMMMQJMVETCP-ZDUSSCGKSA-N 320.433 3.490 10 10 DGCE Cc1cccc(O)c1CNC1(CNC(=O)OC(C)(C)C)CCC1 1976894969 IAPZFSLQASRJPR-UHFFFAOYSA-N 320.433 3.238 10 10 DGCE C[C@H]1C[C@H](NCc2ccccc2O)CN(Cc2ccccc2)C1 1986366061 QBRNRXQJBCDGNM-LPHOPBHVSA-N 310.441 3.392 10 10 DGCE CC[C@@H](NCc1cccc(C)c1O)[C@H](C)NC(=O)OC(C)(C)C 1994449790 KNLOTEXYUBGBGO-DZGCQCFKSA-N 322.449 3.482 10 10 DGCE CN(C)c1ccc([C@H](O)c2cc(Br)sn2)cc1 2007652673 HGNYKCRJMWNDMC-LBPRGKRZSA-N 313.220 3.053 10 10 DGCE CC1(C)C[C@@H](CNCc2cc(Br)ccc2O)CO1 2041456568 MMWUSMCHUVMNRC-JTQLQIEISA-N 314.223 3.059 10 10 DGCE CN(Cc1cc(Br)co1)c1ccc(CN)c(F)c1 2050629265 LRJIIPGLBFLRQB-UHFFFAOYSA-N 313.170 3.276 10 10 DGCE CC(C)c1cc(C=O)n(Cc2ccc(Br)cc2O)n1 2069976000 FHUNRCPXYCYOTF-UHFFFAOYSA-N 323.190 3.335 10 10 DGCE CCc1c(C(F)(F)F)nn(Cc2c(O)cccc2Cl)c1N 2079828453 KJUUFOUJCLHHTI-UHFFFAOYSA-N 319.714 3.454 10 10 DGCE F[C@@H]1C[C@@H](F)CN(c2ccc(CNC3CC3)c(Cl)c2)C1 2182606883 WEELUTXFJQYNGB-VXGBXAGGSA-N 300.780 3.478 10 10 DGCE C[C@@]1(O)C[C@@H]2C[C@H]1C[C@@H]2NCc1cc(Cl)cc(Cl)c1O 2296847916 RADPVPUGBZBTTD-LGRMDKJXSA-N 316.228 3.338 10 10 DGCE COc1ccc(O)c(CNC(=O)CC=Cc2ccc(F)cc2)c1 2297777844 JBTLSGFKYSUUEZ-UHFFFAOYSA-N 315.344 3.260 10 10 DGCE O=C(C=Cc1cncc(F)c1)N1CCOc2c(Cl)cccc21 2299572195 QCBVLIBZDSOJHS-UHFFFAOYSA-N 318.735 3.313 10 10 DGCE CCCC1=NN(CCC)C(=O)C1=Cc1ccc([N+](=O)[O-])cc1 2332148658 YTUHBGFNNPQRDJ-UHFFFAOYSA-N 301.346 3.387 10 10 DGCE COc1ccc(N2CCC[C@@H](O)[C@H]2C(F)(F)F)cc1Cl 2370181429 UCIBPNRUNRJLSJ-PWSUYJOCSA-N 309.715 3.241 10 10 DGCE C[C@H](C(=O)Nc1ccc(N)cc1)[S@@](=O)c1cccc(Cl)c1 54186084 AZYIEOGKCDTSJP-UZJPJQLHSA-N 322.817 3.057 10 10 DGCE CCN(Cc1ccccc1)C(=O)[C@@H](C)Cc1ccc(O)c(O)c1 170245217 GRCUJSJVALHBLT-AWEZNQCLSA-N 313.397 3.325 10 10 DGCE NC(=O)c1cccc2c1N[C@H](c1ccc(O)cc1)[C@H]1CC=C[C@@H]21 20679429 OGCQFBRZMKKBNM-JKIFEVAISA-N 306.365 3.318 10 10 DGCE COc1ccc(N2CC[C@H](C(=O)O)[C@@H]2c2cccc(F)c2)cc1 40442882 AIOSVWMQIOFBHT-IRXDYDNUSA-N 315.344 3.487 10 10 DGCE CSc1ncc(Cn2cncc2[C@H]2CCCC[C@@H]2N)s1 2367239397 ZZXWYRWTCIWCAI-RYUDHWBXSA-N 308.476 3.095 10 10 DGCE CC1(CC2C(=O)N(c3ccccc3)N(c3ccccc3)C2=O)N=N1 642881181 GBQSRYVTMOFHRK-UHFFFAOYSA-N 320.352 3.170 10 10 DGCE Nc1ccc(CCN=c2[nH]c(Cl)nc3ccsc23)cc1 2162357148 QRQUNGHVLZLBJV-UHFFFAOYSA-N 304.806 3.003 10 10 DGCE CC(=O)C(=O)COC(=O)c1ccc(-c2ccc(Cl)cc2)s1 808495629 SZPZEMXDAFWRPY-UHFFFAOYSA-N 322.769 3.383 10 10 DGCE O[C@@]1(c2ccc(N3CCCCC3)cc2)CCCC2(C1)OCCO2 2163109292 XUDPANGEIGUMEQ-SFHVURJKSA-N 317.429 3.182 10 10 DGCE CCN(Cc1cc(OC)cc(C(C)(C)C)c1O)[C@H]1CCOC1 812297016 VZTWMPNHDNJGKF-AWEZNQCLSA-N 307.434 3.309 10 10 DGCE COC(=O)C1(CN(Cc2ccccc2O)C2CCCC2)CC1 827812939 CVKIWMMZVWDMBQ-UHFFFAOYSA-N 303.402 3.090 10 10 DGCE Oc1ccc(Br)cc1CNC1CC(CF)(CF)C1 825892410 DRDRHHDDGDAJBX-UHFFFAOYSA-N 320.177 3.332 10 10 DGCE CCN(CC)c1ccc(CNC(=O)NC2C[C@H]3C[C@@H]3C2)cc1F 823006225 CWNBXKJTNVAWLX-ZIAGYGMSSA-N 319.424 3.270 10 10 DGCE COc1ccccc1C1(NCc2cc([N+](=O)[O-])ccc2O)CC1 829697496 MBUDCCQFJDKZFL-UHFFFAOYSA-N 314.341 3.088 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@H]2CCCCN12 901053845 SOZJXUBMOCUUMN-SJORKVTESA-N 316.445 3.148 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@@H]2CCC[C@@H]3OCC[C@H]32)cc1 835043392 QHVBJSIISJQZTA-JQRVFGMCSA-N 300.446 3.313 10 10 DGCE C[C@H](CO)N(C/C=C/c1ccc(N(C)C)cc1)CC1CCC1 835049526 JNGKWIMMZCHXST-CDVVCGDMSA-N 302.462 3.249 10 10 DGCE CN(C)c1ccc(/C=C\CNCc2ccc(CCN)cc2)cc1 841032997 ILHMIPBSORROTL-ARJAWSKDSA-N 309.457 3.057 10 10 DGCE C[C@H](N[C@@H](C)[C@](C)(O)c1ccccc1)c1ccc(F)cc1O 846186134 DSIJUMRTTBUIIL-LXIYXOSZSA-N 303.377 3.478 10 10 DGCE CC(C)c1noc([C@H](C)N2CCCc3cc(CN)ccc32)n1 843349812 DMBPQKVOQMKQNN-LBPRGKRZSA-N 300.406 3.166 10 10 DGCE CCN(CC)c1ccc(CN(C)Cc2nnc(OC)s2)cc1 929183993 HMUGNFANDNDODR-UHFFFAOYSA-N 320.462 3.025 10 10 DGCE COc1ccc2c(c1)N(C(=O)/C=C/c1cncc(C)c1)CCC2 856076957 LXAFYBLSEUHBNZ-VMPITWQZSA-N 308.381 3.391 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)[C@]2(C)CCCO2)cc1 755085117 RDKAOPGVXXKPBH-SFHVURJKSA-N 304.434 3.060 10 10 DGCE Cc1cc(CC(=O)N2[C@H]3CC[C@H]2COC3)c(C)n1-c1ccccc1 854912286 DQKBZTZNKIOCCD-OALUTQOASA-N 324.424 3.026 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)NC1CCC2(CC1)CC2(F)F 855960670 RKTPWCZMHZZTDG-RQOWECAXSA-N 323.339 3.195 10 10 DGCE C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)C1CC(F)(F)C1 862419237 WRFRUOBKPCHQSN-ZDUSSCGKSA-N 324.415 3.171 10 10 DGCE Nc1ccc(CC[C@@H](O)Cc2coc(Br)c2)cc1 695878382 PKADILXZMSGYOL-CYBMUJFWSA-N 310.191 3.161 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)[C@H]1CCCCC1(F)F 862026671 WNQIEPFRFYFCML-CYBMUJFWSA-N 320.339 3.382 10 10 DGCE COc1ccc(N2CCN(CCc3ccccc3F)CC2)cc1 769434549 HKJRQRRUYIAEPB-UHFFFAOYSA-N 314.404 3.199 10 10 DGCE Oc1cccc(Cl)c1CN1CCCC[C@H](N2CCCC2)C1 769232766 KZBBFBLSLRAEGG-AWEZNQCLSA-N 308.853 3.496 10 10 DGCE CC[C@H](C)Oc1cc(C(=O)N2Cc3cccc(O)c3C2)ccn1 871204669 OKQNJOUSMKSJKY-LBPRGKRZSA-N 312.369 3.121 10 10 DGCE O=C([C@H]1CCCCN1C1CCCC1)N1Cc2cccc(O)c2C1 871204422 IQAYDOFDMMIZPY-QGZVFWFLSA-N 314.429 3.032 10 10 DGCE FC1(F)[C@@H]2CC[C@@H](NCc3ccc(N4CCOCC4)cc3)C[C@H]21 1118564502 CNFZHQFKPFPTST-DJIMGWMZSA-N 322.399 3.047 10 10 DGCE CC(=O)c1cc(F)cc(CNC(C)(C)[C@@H]2CCCCO2)c1O 879410649 YSCVMBYBQZRZTA-HNNXBMFYSA-N 309.381 3.171 10 10 DGCE CCN(CC)c1ccc(CN(C)C[C@H](O)CC(F)(F)F)cc1 787151683 JIVKOUFLNCHYEO-OAHLLOKOSA-N 318.383 3.278 10 10 DGCE Cc1cc(Br)c(O)c(CN[C@@]2(C)CCO[C@@H]2C)c1 784640126 LKCZJGMDCLCPGF-YGRLFVJLSA-N 314.223 3.120 10 10 DGCE COc1cc(O)c(CN2CC[C@]3(CC[C@H](C)C3)C2)cc1OC 781585832 IRBAAXNLECOQIY-UGSOOPFHSA-N 305.418 3.422 10 10 DGCE COc1ccc(CN[C@H]2C[C@H]2C2CCCCC2)c(O)c1OC 893354975 AEYQQOQOQKWQIL-GJZGRUSLSA-N 305.418 3.468 10 10 DGCE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1Nc1ccc(N)cc1 1959370247 FBARRJKSNCGNBP-WFASDCNBSA-N 305.422 3.326 10 10 DGCE C[C@@H](C[C@@H](O)c1ccc(N(C)C)cc1)NC(=O)OC(C)(C)C 1959572049 WCOVJVVTMWSOGM-SWLSCSKDSA-N 308.422 3.089 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)[C@@]2(C)CCC[C@H]2C)cc1 1300279570 HXVYTCMQEQNTLG-BEFAXECRSA-N 318.461 3.416 10 10 DGCE C[C@@H]1CN(CCCN=[N+]=[N-])C[C@@H]1CCNC(=O)OC(C)(C)C 1962304645 OFBUPDORPOQNQY-OLZOCXBDSA-N 311.430 3.170 10 10 DGCE CC1(C)CN(CCCN=[N+]=[N-])CCN(C(=O)OC(C)(C)C)C1 1962302831 CQJWNOOEDBWQJC-UHFFFAOYSA-N 311.430 3.266 10 10 DGCE CC(C)Oc1ccc(N2CC[C@H](CNC[C@@H]3CCCO3)C2)cc1 76376315 AFBBHGHFCSJCJY-APWZRJJASA-N 318.461 3.069 10 10 DGCE COc1cc(Cl)cc(CNCc2nc(Cl)cs2)c1O 1888455966 ZDZLWFDSAXYNGY-UHFFFAOYSA-N 319.213 3.454 10 10 DGCE COc1cccc2c(C(=O)NCc3ccc(N(C)C)cc3)coc12 1351265568 GZIQMBLQLGEKHJ-UHFFFAOYSA-N 324.380 3.437 10 10 DGCE C[C@H]1C[C@@H](C)O[C@@H]1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1353912288 WGKHCEKYUWOIOI-DAYGRLMNSA-N 316.445 3.059 10 10 DGCE O=C(NCc1c(O)cccc1F)c1c(Cl)cccc1[N+](=O)[O-] 1456030259 RWRUGOCCPCEFOX-UHFFFAOYSA-N 324.695 3.023 10 10 DGCE Cc1ncccc1/C=C\C(=O)N1C[C@H](C)Oc2c(F)cccc21 1459125101 NWPAMABUAMCOQF-LAUAKBEESA-N 312.344 3.356 10 10 DGCE CN1CCCc2cc(CNC(=O)C(C)(C)C(F)(F)F)ccc21 1527577546 QDNYZIILMNPMCZ-UHFFFAOYSA-N 314.351 3.274 10 10 DGCE CC(C)COc1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 1464300953 RFPOFPGCZBZZAZ-UHFFFAOYSA-N 315.369 3.314 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC1C[C@H]2C=C[C@@H](C1)O2 2118504944 DHHUBQOIAFSLHO-YOGCLGLASA-N 300.185 3.275 10 10 DGCE O=C(/C=C/c1ccc(Cl)cc1)NCc1ccc(O)cc1O 1469161148 HNJQPBNAJCYVSC-FPYGCLRLSA-N 303.745 3.081 10 10 DGCE C[C@H](N[C@H](C)c1nc(O)c2ccccc2n1)c1ccccc1O 1473724140 QBONXJHFBSPYMK-NWDGAFQWSA-N 309.369 3.453 10 10 DGCE O=C(NC/C=C\Cl)NCc1cc(Cl)cc(Cl)c1O 1479514453 WPQVUUBGXDODJF-UPHRSURJSA-N 309.580 3.251 10 10 DGCE COC(=O)Nc1cc(NC(=O)c2cc(O)cs2)ccc1F 1542789691 AYRIVZFDSDDVKA-UHFFFAOYSA-N 310.306 3.023 10 10 DGCE O=C(NCc1ccccc1O)C(F)(F)c1cc(F)cc(F)c1 1545682254 YURCGLLXLBDFLK-UHFFFAOYSA-N 313.250 3.079 10 10 DGCE COc1ccc(CN[C@H](C)[C@@H](C)NC(=O)CC2(C)CC2)cc1C 1725101605 HQPGNWDAJZPOGM-HUUCEWRRSA-N 318.461 3.177 10 10 DGCE CO/C(=C\c1ccccc1)C(=O)NCc1cccc(Cl)c1O 1637227125 ODFQDRPMGFJJKT-GDNBJRDFSA-N 317.772 3.349 10 10 DGCE C[C@@H](C(=O)N[C@H](C)c1ccccc1O)n1cnc2ccccc21 1642827216 CFHZBRUZTLJKRO-OLZOCXBDSA-N 309.369 3.180 10 10 DGCE COc1ccc2cc(C(=O)NCc3cc(O)ccc3O)ccc2c1 1643879527 TUWKFIBTIHLROQ-UHFFFAOYSA-N 323.348 3.190 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)c1cccc2cc[nH]c12 1643282848 BRAIUKPYKQATTC-UHFFFAOYSA-N 317.348 3.352 10 10 DGCE C[C@@H](CCc1cccc(F)c1)C(=O)NCc1cc(O)ccc1O 1651222924 RWBQBKYTTGCSMU-LBPRGKRZSA-N 317.360 3.122 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)c1c(C)ccc(F)c1N 1585788579 VZIDFPPTBSDHGT-UHFFFAOYSA-N 315.392 3.021 10 10 DGCE COC(=O)c1cncc(CN(C)c2ccc(OC(C)C)cc2)c1 1658244799 OFBOAYRIZJWKOQ-UHFFFAOYSA-N 314.385 3.292 10 10 DGCE CCOC(=O)C1CCN(/N=N/c2cccc(C(C)=O)c2)CC1 1860483051 ARVFRNYSNZIMCD-ISLYRVAYSA-N 303.362 3.163 10 10 DGCE C[C@@H]1CCCC[C@@H]1NN=Nc1ccc2c(c1)OCC(=O)N2C 1860493996 LMUBIFOZCZATBD-YPMHNXCESA-N 302.378 3.209 10 10 DGCE CCCC1=NN(CC(C)C)C(=O)/C1=C/c1ccc(O)cc1O 1865654556 XJEZDRGOHPFZIM-RIYZIHGNSA-N 302.374 3.136 10 10 DGCE CN(CCN=[N+]=[N-])Cc1cc(Br)cc([N+](=O)[O-])c1 1912153530 BZAXPGRDCKLEFB-UHFFFAOYSA-N 314.143 3.099 10 10 DGCE CCN[C@@H](c1ccccc1O)[C@@H]1CCN1C(=O)OC(C)(C)C 1912876113 CJNCVPFOXTXJIG-ZFWWWQNUSA-N 306.406 3.052 10 10 DGCE CC1CCN(c2ccc(CN)c(Br)c2F)CC1 231838656 YKJMYPWIHCTZHC-UHFFFAOYSA-N 301.203 3.283 10 10 DGCE Cc1cccc(CN[C@@H]2CCCC3(OCCO3)C2(C)C)c1O 2139760616 TWRNPSQXVBEYDO-OAHLLOKOSA-N 305.418 3.112 10 10 DGCE CCc1cccnc1CNCc1cc(Br)ccc1O 234153594 NGQKMYQWEGIMGU-UHFFFAOYSA-N 321.218 3.402 10 10 DGCE CC(C)(C)OC(=O)N[C@@H](COc1ccc(N)cc1)C(F)(F)F 1952840129 FNMISBYWUCSFMV-NSHDSACASA-N 320.311 3.103 10 10 DGCE Cc1cc(O)c([C@@H]2[C@H](N)CCCN2C(=O)OC(C)(C)C)cc1C 1953043507 GJAHDVFXDBNXSZ-GDBMZVCRSA-N 320.433 3.408 10 10 DGCE CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)c1ccc(N(C)C)cc1 1977937599 COJDRLTZJAIYHT-CVEARBPZSA-N 322.449 3.335 10 10 DGCE CCN(c1ccc(CN)cc1Br)[C@H]1CCSC1 2003841400 PZPWKGQDSKBSDO-NSHDSACASA-N 315.280 3.240 10 10 DGCE C[C@H](N)c1ccc(N2C[C@H](F)C[C@@H]2C)cc1Br 1997690906 GATARPSHFJSYBE-LPEHRKFASA-N 301.203 3.406 10 10 DGCE CC[C@@H]1C[C@H](C(=O)O)N(Cc2cc(Cl)cc(Cl)c2O)C1 2159278988 XFODHNUWIZATRD-PRHODGIISA-N 318.200 3.384 10 10 DGCE CCCOC[C@@H]1CCCN1c1cc(Cl)c(CN)cc1F 2177389986 TYEUMLDUSNTFHO-LBPRGKRZSA-N 300.805 3.333 10 10 DGCE C[C@@H]1CN(c2ccc(OC(F)(F)F)c(Cl)c2)C[C@H]1CN 2169434183 LBNUBFGTRTVNQP-RKDXNWHRSA-N 308.731 3.270 10 10 DGCE Cc1ccc(O)c(Cn2nc(C3CC3)c(C(F)(F)F)c2N)c1 2079798884 NCUUIFXPAPANIL-UHFFFAOYSA-N 311.307 3.424 10 10 DGCE CN[C@@H](C)c1ccc(N2CC[C@](F)(COC)C2)cc1Cl 2179806138 ZOTFLSFYHXEXDA-XHDPSFHLSA-N 300.805 3.185 10 10 DGCE CNCc1ccc(N2CC3(CC(F)C3)C2)c(Br)c1 2051885447 OFLXOXGQCNKAIH-UHFFFAOYSA-N 313.214 3.107 10 10 DGCE [N-]=[N+]=NC[C@H]1CCN(C(=O)c2ncc(Cl)cc2Cl)C1 2107113232 CFYONJGMPVPDHX-SSDOTTSWSA-N 300.149 3.161 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)c2cccnc2Br)CC1 2099330186 UNYALQRXUZBARE-SECBINFHSA-N 324.182 3.149 10 10 DGCE COc1ccc(Br)c(CNOC2CCCC2)c1O 2220448777 JENNXIYJFUGBTL-UHFFFAOYSA-N 316.195 3.127 10 10 DGCE CNCc1ccc(N(C)[C@@H]2C[C@@H]3C[C@@H]3C2)cc1Br 2222765221 VGZVSBASLRWSHH-IMRBUKKESA-N 309.251 3.403 10 10 DGCE COC1(CSc2ncc(C[C@@H](C)N)s2)CCCCC1 2265544118 CLHMTVBQJGPFSI-LLVKDONJSA-N 300.493 3.474 10 10 DGCE COc1cc(OC)c(N(C[C@H](C)O)C(C)(C)C)cc1Cl 2288106630 BNTMEHINIFFOPO-JTQLQIEISA-N 301.814 3.343 10 10 DGCE COc1ccc(N(C)C(=O)C=Cc2scnc2C)cc1F 2310100190 BELBSRPLSFCQKY-UHFFFAOYSA-N 306.362 3.275 10 10 DGCE COC(=O)C1=C(C)N(CC(C)C)C(=O)C1=Cc1ccc(F)cc1 2313577370 JNTAHXGFMYGHHA-UHFFFAOYSA-N 317.360 3.154 10 10 DGCE CCCN1N=C(CC)C(=Cc2cccc(OC)c2OCC)C1=O 2332117384 ATIHJPRYAZDBTQ-UHFFFAOYSA-N 316.401 3.496 10 10 DGCE CCN1N=C(c2ccccc2)C(=Cc2ccc([N+](=O)[O-])cc2)C1=O 2332148559 WDGBAJRMJIKQSY-UHFFFAOYSA-N 321.336 3.245 10 10 DGCE Cc1ccc(CN(C)C(=O)OC(C)C)c(O)c1Br 2327610706 WXESVKZIRLQGOS-UHFFFAOYSA-N 316.195 3.440 10 10 DGCE C[C@@H]1C[C@@H](C)C(=O)N(c2c(Cl)cc(N)cc2Cl)C1=O 2340242923 PZRRFANMTQPGCF-RNFRBKRXSA-N 301.173 3.111 10 10 DGCE CCN[C@@H](C)c1ccc(N2C[C@@H](F)[C@H](OC)C2)c(Cl)c1 2353970419 WEUJKRHMBGRMKT-PSOPSSQASA-N 300.805 3.184 10 10 DGCE O=C1CCCCN1C(=O)CCn1c2c(c3ccccc31)CCCC2 1848761940 WMSNFSFPSCGEFF-UHFFFAOYSA-N 324.424 3.449 10 10 DGCE c1cncc(OCCNCc2ccc(N3CCCCC3)cc2)c1 114507471 AUNLVLJEROXJBJ-UHFFFAOYSA-N 311.429 3.241 10 10 DGCE COc1ccc2c(c1)NC1(CCCC1)CN2CC1CCNCC1 75280914 SRFYBTAHJJEONQ-UHFFFAOYSA-N 315.461 3.240 10 10 DGCE C[C@H](NCc1ccc(F)c(CN(C)C)c1)c1ccccc1O 183514612 BOWVRNREHMPCQK-ZDUSSCGKSA-N 302.393 3.444 10 10 DGCE COCCN(c1ccc([C@H](C)N)cc1Br)C(C)C 123185074 PLGXKBWSCFHILH-NSHDSACASA-N 315.255 3.330 10 10 DGCE CCS[C@@H]1CCC[C@@H]1NCc1ccc(N2CCOCC2)cc1 319311905 HPSLZVGUKUKIGH-ZWKOTPCHSA-N 320.502 3.287 10 10 DGCE CC(=O)Nc1cccc(CN[C@H](C)c2ccc(F)c(F)c2O)c1 191203416 HBWIDQOGOKUABY-SNVBAGLBSA-N 320.339 3.480 10 10 DGCE COc1ccc(N2CC[C@H](C(=O)O)[C@@H]2c2ccc(F)cc2)cc1 40442886 UUWPKFBWNJTZDH-IRXDYDNUSA-N 315.344 3.487 10 10 DGCE CC(C)N(CC(=O)Nc1ccc(N)cc1)Cc1cccs1 49026391 MFCAVOOUQGCGOU-UHFFFAOYSA-N 303.431 3.179 10 10 DGCE COc1ccc(CN[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)cc1C 381846247 YXRYYOGVQYTYME-KGLIPLIRSA-N 322.449 3.395 10 10 DGCE CN[C@@H]1C(=O)Nc2cc(N(C)Cc3cccs3)c(Cl)cc21 92750425 JWWYRFOUZPQNSP-AWEZNQCLSA-N 321.833 3.251 10 10 DGCE CCC[C@H](CC)NC(=O)/C=C\c1ccc(N2CCOCC2)cc1 255917153 QLWGSYHZMVWTIN-NLZINVLXSA-N 316.445 3.231 10 10 DGCE C[C@H](Cn1cncn1)N[C@H](C)c1cc(Cl)c(Cl)cc1O 278741519 NIFMDUILEYPTSA-RKDXNWHRSA-N 315.204 3.030 10 10 DGCE CCOc1ccc(O)c(CNC[C@H]2CCOC3(CCC3)C2)c1 824750318 HNZMYTCZRYMWON-AWEZNQCLSA-N 305.418 3.230 10 10 DGCE CC1(C)Cc2n[nH]cc2CN(Cc2cc(Cl)ccc2O)C1 828013877 NFSVPLRIZBYYDS-UHFFFAOYSA-N 305.809 3.353 10 10 DGCE CN(C)c1ccc(CNC(=O)[C@H]2CCOC3(CCCC3)C2)cc1 905319274 YPTKDRGBINMSCI-INIZCTEOSA-N 316.445 3.108 10 10 DGCE CC(C)N1CC[C@@H](CNC/C=C\c2ccc(N(C)C)cc2)C1 835052295 BZSDSOCFRKMSGC-XFHJGTJQSA-N 301.478 3.086 10 10 DGCE CN(C)c1ccc(/C=C\CNC[C@H](c2ccco2)N(C)C)cc1 835034921 ZVSDEMVDUQGJIX-LZCIBIBXSA-N 313.445 3.251 10 10 DGCE CCCN(CCC)c1ccc(CN2CC[C@H](CNC)C2)cc1 843052553 NSKWXGWNTAHFHB-GOSISDBHSA-N 303.494 3.354 10 10 DGCE CSc1cccnc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 844484833 IMQMNVBXOMALMO-LBPRGKRZSA-N 315.442 3.361 10 10 DGCE COC(=O)/C=C\c1ccc(N2CCC[C@H]2C(C)C)c([N+](=O)[O-])c1 920487299 SRYSAIDONYYDBY-LEJCZOIISA-N 318.373 3.406 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@]1(C)CCCO1 755173719 JHHLHTXHYQIQPZ-SFHVURJKSA-N 304.434 3.059 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@H]3COC[C@]3(C)C2)cc1 855841255 KHLUOQHZBKUUAP-PXNSSMCTSA-N 324.424 3.203 10 10 DGCE C[C@H](NC(=O)N[C@H]1CC12CCCC2)c1ccc(N(C)C)cc1 759166415 JKSDGSBBDHYWKU-BBRMVZONSA-N 301.434 3.446 10 10 DGCE CCCN(C(=O)/C=C\c1cnc2ccccc2n1)c1cccnc1 750127593 AUVLVURIGQCLPE-KTKRTIGZSA-N 318.380 3.481 10 10 DGCE CO[C@@H](C)CNC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C 785842630 CNNLWJPIPKGPOS-HNNXBMFYSA-N 314.429 3.476 10 10 DGCE COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1cc(Cl)cc(C)c1O 786578122 HUNXIVUBPUAPET-UGFHNGPFSA-N 323.820 3.128 10 10 DGCE CN1CCCc2cc(CN[C@@H]3CCN(C)[C@@H]4CCC[C@@H]34)ccc21 796726882 GIUFSKXTQIACGC-NLWGTHIKSA-N 313.489 3.031 10 10 DGCE Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)ccn1C 798880239 IFKHPKQSORDDIB-UHFFFAOYSA-N 311.429 3.204 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CNc1ccc(N)cc1 1959367994 QUNSJCHBERKIBE-OLZOCXBDSA-N 305.422 3.184 10 10 DGCE C[C@@H](CN(C)C(=O)OC(C)(C)C)N[C@H](C)c1c(O)cccc1O 701923867 JYCWGUIVNGUCST-NWDGAFQWSA-N 324.421 3.004 10 10 DGCE CCCN(Cc1cn(C)nc1Br)c1ccc(N)cc1 714090234 ZZXQNRXYTCOWQJ-UHFFFAOYSA-N 323.238 3.181 10 10 DGCE Oc1c(F)cc(Br)cc1CN1CCC(CF)CC1 715804160 MWIGEXZEHPRARG-UHFFFAOYSA-N 320.177 3.475 10 10 DGCE O=C(/C=C/c1ccccc1F)NCc1ccc2cccnc2c1O 1299726014 PQVPXKKSWYOHCQ-MDZDMXLPSA-N 322.339 3.409 10 10 DGCE CC(=O)c1ccc(CC(=O)NCc2cc(Cl)ccc2O)cc1 1469875135 VCRGBRBYJYIFCE-UHFFFAOYSA-N 317.772 3.107 10 10 DGCE CC(C)(C)OC(=O)Nc1ccc(O)c([C@H](N)C(F)(F)F)c1 1535929286 CSXRJQOHFRZYHU-JTQLQIEISA-N 306.284 3.301 10 10 DGCE CN(C)C(=O)c1ccc(NC(=O)c2cc(O)cs2)cc1Cl 1543708896 OJCNSHQUJGICOH-UHFFFAOYSA-N 324.789 3.061 10 10 DGCE CC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2Cc1ccc(N)cc1 213203221 HNNGEQULYXBFQU-UHFFFAOYSA-N 308.381 3.296 10 10 DGCE COc1ccc(N(C)CC(=O)N(C)[C@H]2CCCC[C@H]2C)cc1 1559970045 ZVWBXAVMWKAHEX-PBHICJAKSA-N 304.434 3.169 10 10 DGCE CCCCc1cc(Sc2ncc(C(=O)OC)s2)ncn1 1639960470 SODPYRBGEKJUCU-UHFFFAOYSA-N 309.416 3.214 10 10 DGCE COc1ccc(CNC[C@H](NC(C)=O)C2CCCCC2)cc1C 1568340507 RDZPERMKCPDTDX-SFHVURJKSA-N 318.461 3.178 10 10 DGCE CCOC1CN(C(=O)c2cc(C)ccc2-n2c(C)ccc2C)C1 1569666719 BBGVSYLXNHIWTD-UHFFFAOYSA-N 312.413 3.263 10 10 DGCE O=C(NCc1ccc(O)cc1O)c1cscc1C(F)(F)F 1638355860 ADXCHZADFWHIOK-UHFFFAOYSA-N 317.288 3.108 10 10 DGCE CCc1ccc(N(CC2CC2)C(=O)/C=C/c2cn(C)cn2)cc1 1583189313 WNVFQNSZYWQJKK-DHZHZOJOSA-N 309.413 3.439 10 10 DGCE Cc1ccc(C)n1[C@H](CC(=O)N1CCC1)c1ccc(F)cc1 1851586677 OKDUPTQDGXCOGC-QGZVFWFLSA-N 300.377 3.456 10 10 DGCE COc1cc(Cl)c(C)cc1/N=N/N1CCC(C(=O)O)CC1 1860483944 QKJOAHOEXDDGRL-WUKNDPDISA-N 311.769 3.452 10 10 DGCE [N-]=[N+]=NC1CN(C(=O)c2ccccc2SC(F)(F)F)C1 1912168808 GGJBDVOKMNRIEU-UHFFFAOYSA-N 302.281 3.433 10 10 DGCE CNCc1ccc(N(C)[C@@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]4C3)cc1Br 2134314010 MFEXSVRDYYIVKC-MIGXYKPQSA-N 321.262 3.259 10 10 DGCE CC[C@@H](NCCN(OC)C(=O)OC(C)(C)C)c1ccccc1O 1936451953 GEPNOFRYLKLVCS-CQSZACIVSA-N 324.421 3.231 10 10 DGCE CNCc1ccc(N(C)CCOC(C)C)c(Br)c1 234403346 SHDRMNAFURHASJ-UHFFFAOYSA-N 315.255 3.030 10 10 DGCE CN(c1ccc(N)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 1977964875 ARVXMBZEIDJFLD-OAHLLOKOSA-N 319.449 3.495 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNCC12CCN(CC1)CC2 2145168467 UBVVYPJQZYBMIQ-UHFFFAOYSA-N 315.244 3.275 10 10 DGCE CC[C@@H](C(F)F)N(C)c1ccc(CN)c(Br)c1 2009015325 PNXBZIRKIZSMKD-NSHDSACASA-N 307.182 3.388 10 10 DGCE CN(Cc1c(O)cccc1Br)[C@H]1CCCOCC1 2028800215 OHBONQMRUSNZGW-NSHDSACASA-N 314.223 3.156 10 10 DGCE CNCc1ccc(N2CCC[C@@](C)(F)C2)cc1Br 2034769098 MJLBGBLUJCYPHD-CQSZACIVSA-N 315.230 3.497 10 10 DGCE CCCN(CCOC)c1ccc(CNC)c(Br)c1 2036709632 WXBNGIPYBLXGSB-UHFFFAOYSA-N 315.255 3.031 10 10 DGCE CN(Cc1cc(Br)ccc1O)C[C@@]1(C)CCOC1 687527543 GQUHGGWKWNKXGV-CQSZACIVSA-N 314.223 3.013 10 10 DGCE C[C@H]1[C@@H](N(C)C)CCN1Cc1cc(Cl)cc(Cl)c1O 381830482 IYAQVRXKSUOGBY-ZANVPECISA-N 303.233 3.223 10 10 DGCE C[C@@H](N[C@H]1CCCC12OCCO2)c1ccc2ccccc2c1O 715601742 OMDSVASLLRDANU-DYVFJYSZSA-N 313.397 3.492 10 10 DGCE CO[C@@H]1CN(c2ccc([C@@H](C)O)c(Cl)c2)CC(F)(F)C1 2185161915 RCNWRBIMQGINMR-KOLCDFICSA-N 305.752 3.254 10 10 DGCE COc1cc(CNCc2ccc(N)cc2)ccc1Br 2273771060 DQBICJUNIRZAGL-UHFFFAOYSA-N 321.218 3.330 10 10 DGCE CC1=NN(c2ccccc2)C(=O)C1=CNCCc1ccccc1 2296673016 AQRUBAPSSKSDKQ-UHFFFAOYSA-N 305.381 3.125 10 10 DGCE [N-]=[N+]=NCCCS(=O)(=O)Cc1ccc(Br)cc1 2302449028 PRBSUTBDCFJYRJ-UHFFFAOYSA-N 318.196 3.064 10 10 DGCE CCCC1=NN(CC(C)C)C(=O)C1=Cc1ccc(C(=O)O)cc1 2332139170 CPWRHUHQPLPZQZ-UHFFFAOYSA-N 314.385 3.423 10 10 DGCE NC(=O)c1cccc2c1N[C@H](c1ccc(O)cc1)[C@@H]1CC=C[C@H]21 13636783 OGCQFBRZMKKBNM-JJRVBVJISA-N 306.365 3.318 10 10 DGCE Clc1ccccc1COc1ccc(N2CCNCC2)cc1 19688491 NUULQQFILMXYNZ-UHFFFAOYSA-N 302.805 3.329 10 10 DGCE Nc1cc(NC(=O)CCSc2nccs2)ccc1Cl 40676595 QVMSEFWLUHFXTH-UHFFFAOYSA-N 313.835 3.500 10 10 DGCE CC(C)CN(Cc1ccc(N2CCNCC2)cc1)CC(C)C 84857363 TWPVVZCHYVWAJP-UHFFFAOYSA-N 303.494 3.210 10 10 DGCE COc1ccccc1CNCc1ccc(N(C)C)c(OC)c1 212689211 ICKGBJUDWIQSGE-UHFFFAOYSA-N 300.402 3.060 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)/C=C\c1ccnn1CC 255548271 OAGOGBRFCDWFNO-KTKRTIGZSA-N 313.401 3.061 10 10 DGCE CNCc1ccc(N2CC[C@H](SC)C2)cc1C(F)(F)F 382943374 JLXYFIQWYQYNFH-LBPRGKRZSA-N 304.381 3.367 10 10 DGCE CN(CCOCc1ccccc1)c1ccc(CN)c(F)c1F 383928146 ALRBIRANUAKHQY-UHFFFAOYSA-N 306.356 3.077 10 10 DGCE C[C@H](NC[C@@H](C)N(C)Cc1ccccc1)c1c(O)cccc1O 390547649 VUIZFDKNUUWAHU-CABCVRRESA-N 314.429 3.269 10 10 DGCE Cc1nnc(CNCc2cc(Cl)cc(Cl)c2O)s1 391820253 SNEYUOUJMHLCQH-UHFFFAOYSA-N 304.202 3.149 10 10 DGCE Oc1ccc(Br)cc1CN[C@H]1CCCC1(F)F 397934269 CWWBABJCPLNZCT-NSHDSACASA-N 306.150 3.432 10 10 DGCE COc1ccc(N2CC[C@@H]2CNC(C)C)cc1Br 696401791 FBIZOYGMQHRTDM-GFCCVEGCSA-N 313.239 3.034 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)c2cnc(Cl)c(Cl)c2)C1 701297335 SANUZOKWDNOWCM-MRVPVSSYSA-N 300.149 3.303 10 10 DGCE [N-]=[N+]=NCCCNC(=O)c1cc2c(nc3sccn32)s1 701306623 OTPGIZBUKJREPI-UHFFFAOYSA-N 306.376 3.041 10 10 DGCE CC(=O)c1cc(Cl)cc(CN(C)Cc2ccsn2)c1O 705760869 GQUAAEJOUOGWMP-UHFFFAOYSA-N 310.806 3.337 10 10 DGCE CC(C)(C)[C@@H](N)[C@@H](N)c1ccc(OCc2ccccc2)cc1O 713742072 LVRIRQDFIDNPKW-ROUUACIJSA-N 314.429 3.344 10 10 DGCE CN[C@H](C)c1ccc(N2C[C@H](F)[C@@H](F)C2)cc1Br 714740801 WDCVUAITJUAKNB-JCOFBHIZSA-N 319.193 3.226 10 10 DGCE CCN(CC)c1ccc(CN2CCc3ccnc(O)c3C2)cc1 756136406 IEXYUFLWAIZQBK-UHFFFAOYSA-N 311.429 3.192 10 10 DGCE CCCNC(=O)CN(CCC)Cc1cc(Cl)cc(C)c1O 775659101 WVCCSFXDBGSSHH-UHFFFAOYSA-N 312.841 3.092 10 10 DGCE COc1ccc(N2CC[C@H](CNC(=O)/C=C/C(C)(C)C)C2)cc1 819582124 IFMOYTJBDADOQS-SLZMIMFISA-N 316.445 3.240 10 10 DGCE CC[C@@H](O)CC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 822814354 QBRKYCGIEOWRNV-GOSISDBHSA-N 318.461 3.233 10 10 DGCE CN(Cc1ccccc1O)C(=O)NC[C@@H]1CC2CCC1CC2 827454847 UORKYXVDWUINEO-XUJLQICISA-N 302.418 3.360 10 10 DGCE C[C@H](N[C@@H]1COCC1(C)C)c1cccc(C(F)(F)F)c1O 834903929 MGZOPFBYMUDYEK-JOYOIKCWSA-N 303.324 3.487 10 10 DGCE Cc1ccc([C@@H](O)CNC/C=C/c2ccc(N(C)C)cc2)cc1 835034677 CKZWVTRRPUIWFA-SGSXCFNPSA-N 310.441 3.397 10 10 DGCE C[C@H](N[C@@H]1C[C@@H](O)c2ccccc21)c1cc([N+](=O)[O-])ccc1O 850528184 JDORVKOQLNOXDV-UDTVLSCZSA-N 314.341 3.129 10 10 DGCE COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3CCC3(C)C)C2)cc1 854980752 GLUCSWDBFSUIRS-YOEHRIQHSA-N 316.445 3.074 10 10 DGCE Fc1cc(CN[C@]23CCCC[C@H]2C3)ccc1N1CCOCC1 865704561 VNTMUWHKGJJLOJ-YJBOKZPZSA-N 304.409 3.085 10 10 DGCE COc1ccc(O)c([C@H](C)NC[C@H]2CC[C@H](C(F)(F)F)O2)c1 903178766 JIOZWHSLVQHVRW-DRCTWCGVSA-N 319.323 3.161 10 10 DGCE COC(=O)C[C@@H]1CN(Cc2c(O)ccc3ccccc23)C[C@H]1C 905710359 KAFFDDWUMUKGBL-UKRRQHHQSA-N 313.397 3.176 10 10 DGCE Cc1ccc(CNC(=O)c2cccc(O)c2O)c(OC(C)C)c1 1149713180 BGISACPBHNLSIU-UHFFFAOYSA-N 315.369 3.123 10 10 DGCE c1cc2c(cc1CN[C@@H](C1CC1)[C@@H]1CCCCO1)CCCO2 1202993740 QAXCTXSZDAGFRF-OALUTQOASA-N 301.430 3.449 10 10 DGCE O=C(NCc1ccc(O)cc1O)c1cc2cc(Cl)sc2[nH]1 1299572126 BCISUUGJCDOIRU-UHFFFAOYSA-N 322.773 3.224 10 10 DGCE O=C(NCC(F)(F)c1ccc(F)cc1)c1cc(O)cs1 1301402057 PXPGSYYKVCVDBF-UHFFFAOYSA-N 301.289 3.115 10 10 DGCE C[C@@H]1C[C@H](N(C)Cc2ccc(N3CCCC3)cc2)CCN1C 1324745710 FAKPBHBRIYQZLQ-VQIMIIECSA-N 301.478 3.201 10 10 DGCE C[C@@H](NC(=O)c1cc2ccccc2nc1O)c1ccccc1O 1454803729 GHPKZXADHRLVCT-LLVKDONJSA-N 308.337 3.137 10 10 DGCE C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1N)c1ccccc1O 1471195714 MKTFCVKXSDFEMH-SECBINFHSA-N 324.302 3.484 10 10 DGCE O=C(NCc1c(O)cccc1F)NC[C@@H]1CCC=CCCC1 1479551341 NTAAIOFABJGGMV-CYBMUJFWSA-N 306.381 3.467 10 10 DGCE CCc1cccc(C(=O)NCc2ccc(N(C)C)c(F)c2)c1O 1583752684 NSLUFSXASBVRAX-UHFFFAOYSA-N 316.376 3.090 10 10 DGCE O=C(NCc1ccc(O)cc1O)[C@H]1CCc2c(Cl)cccc21 1630302317 XOGHEYLNMHWHGN-AWEZNQCLSA-N 317.772 3.097 10 10 DGCE CCn1cc(C(=O)NCc2ccc(O)cc2O)c2ccccc21 1639441339 QPWIPDSDTJMILZ-UHFFFAOYSA-N 310.353 3.002 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC1C[C@@H]2C[C@H]2C1 1683295822 QFQXGSHRKHWIOS-HOTGVXAUSA-N 313.445 3.227 10 10 DGCE CC[C@@H](C)C(=O)NC[C@@H](NCc1ccc(OC)c(C)c1)C1CC1 1690143638 YFLLBGCUCVVZOZ-CXAGYDPISA-N 318.461 3.034 10 10 DGCE COc1ccc(CNC[C@H](C)N(C)C(=O)CCC(C)C)cc1C 1698814222 OJZHDPXKEMPZGH-INIZCTEOSA-N 320.477 3.376 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@@](C)([C@@H](N)c2ccccc2O)C1 1916518158 DSNHPIAXWOTOOV-HNJNHCNJSA-N 320.433 3.476 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[C@@H](N)c1ccccc1O 1928473795 FUZCLZFWBXDYSL-NJZAAPMLSA-N 306.406 3.085 10 10 DGCE C[C@@H]1CCN(c2ccc(CN)cc2Br)C[C@@H]1F 1946916170 AFNRHOOXOANLQY-SKDRFNHKSA-N 301.203 3.092 10 10 DGCE CP(C)(=O)[C@@H]1CCCN(Cc2ccc(F)c(F)c2O)C1 1973748186 MTCDIXZAPRQXNT-LLVKDONJSA-N 303.289 3.258 10 10 DGCE CC(C)[C@H](NC(=O)OC(C)(C)C)[C@H](O)c1ccc(N(C)C)cc1 1977937605 COJDRLTZJAIYHT-JKSUJKDBSA-N 322.449 3.335 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CCNCc2ccc(N)cc2)C1 1981363915 XXWCNVNOVQLLAZ-FZNQNYSPSA-N 319.449 3.052 10 10 DGCE N[C@@H]1CCc2cc(N(Cc3ccccc3)[C@H]3CCOC3)ccc21 1986607228 UQZRXHWFQWJSBF-AZUAARDMSA-N 308.425 3.428 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@]1(N)c1ccccc1O 1988844369 VVJNVYZWQPJHOS-FZKQIMNGSA-N 320.433 3.213 10 10 DGCE C[C@@H]1C[C@](O)(c2ccc3c(c2)CCN3C)CN1Cc1ccccc1 1999510543 WHKKQCFCBFEXER-IIBYNOLFSA-N 322.452 3.161 10 10 DGCE CN(CCCCN=[N+]=[N-])Cc1cc(Br)cn1C 2004273090 HHWTUZBWWPOBOV-UHFFFAOYSA-N 300.204 3.310 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)cc1 2015063047 KLFFNXLNQNELDR-BSIFCXSSSA-N 321.468 3.417 10 10 DGCE CC[C@H](c1cc(Br)ccc1O)N(C)[C@@H](C)CNC 2049147125 CDDYXVLTXRNOAP-GXFFZTMASA-N 315.255 3.146 10 10 DGCE CC[C@](C)(CN(C)c1ccc(CN)cc1Br)OC 2066250954 XOKFWRWYXHFWBK-CQSZACIVSA-N 315.255 3.159 10 10 DGCE CNCc1ccc(N(C)[C@@H]2[C@H]3C[C@H]3[C@H]3C[C@H]32)c(Br)c1 2110320838 ZBCOCJXDDKUJTM-ROVZXEPSSA-N 321.262 3.259 10 10 DGCE CN(c1ccc(CN)cc1Br)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21 2116355283 MKPIZOQEQWIEHZ-ZRTFPUAOSA-N 321.262 3.389 10 10 DGCE CN[C@H](C)c1ccc(N2CC[C@@](F)(COC)C2)cc1Cl 2179806132 ZOTFLSFYHXEXDA-ABAIWWIYSA-N 300.805 3.185 10 10 DGCE CN(CCc1ccc(N)cc1)[C@@H]1CS[C@H](C(F)(F)F)C1 2189458646 QPIWNRBGEUSLAB-STQMWFEESA-N 304.381 3.180 10 10 DGCE CN(Cc1cc(Cl)cc(Cl)c1O)[C@@H]1C[C@H]2CC[C@H]1O2 2228091573 KLYJEIQFPFCQHN-RAIGVLPGSA-N 302.201 3.451 10 10 DGCE NCc1cc(F)c(N2CC(SC(F)(F)F)C2)cc1Cl 2229181791 QTZYMFNXVJUJJH-UHFFFAOYSA-N 314.735 3.379 10 10 DGCE C[C@@H](NCc1ccc(N)cc1)[C@H]1CCCN1C(=O)OC(C)(C)C 2244473576 HRHRPRUVNPWWCL-CZUORRHYSA-N 319.449 3.146 10 10 DGCE CSc1ncc(Cn2c(S)nnc2C(C)(C)C)s1 2257061786 VZKUVXLLZGSFSI-UHFFFAOYSA-N 300.478 3.091 10 10 DGCE OC[C@]1(NC2CC2)CCCC[C@@H]1CCSc1nccs1 2288723339 OLRKFJDLKIYLFT-IUODEOHRSA-N 312.504 3.299 10 10 DGCE Cc1cc(C(F)(F)F)sc1[C@H](NCCN=[N+]=[N-])C(=O)O 2295052465 QXZGKFAAUZYFLX-ZETCQYMHSA-N 308.285 3.101 10 10 DGCE COCCCCCN(C)c1ccc(CN)c(Br)c1 2319891881 NYQZEFVHUOEJEV-UHFFFAOYSA-N 315.255 3.161 10 10 DGCE O=C(O)Cc1nc2c(O)cccn2c1N=Nc1ccc(F)cc1 2320774041 BEOVQGSEHKBELF-UHFFFAOYSA-N 314.276 3.222 10 10 DGCE Cc1ccc(CN[C@@H](C)c2ncco2)c(O)c1Br 2327796874 OBLHLSHPFHVTFR-VIFPVBQESA-N 311.179 3.302 10 10 DGCE Cc1ccc(CNC(=O)[C@@H](C)C2CC2)c(O)c1Br 2327802512 ZZXURVLLSRVPGT-VIFPVBQESA-N 312.207 3.125 10 10 DGCE Oc1ccc(OC(F)(F)F)cc1CNCc1cscn1 2361169958 ZQZIBBLNHGNIOH-UHFFFAOYSA-N 304.293 3.037 10 10 DGCE N[C@@H]1CCCN(c2ccc(OCc3ccccc3)cc2F)C1 83577053 FOUBTRNLPIDWGO-OAHLLOKOSA-N 300.377 3.332 10 10 DGCE CC[C@H](c1cc(Br)ccc1O)N(C)CCC(=O)O 86774808 MJAAYXFWKHMOCW-LLVKDONJSA-N 316.195 3.012 10 10 DGCE OCc1ccc(NCc2cccc(Br)c2O)cc1 139147537 VVDPVHAFNGXXMZ-UHFFFAOYSA-N 308.175 3.259 10 10 DGCE CC(=O)[C@@H](C)CCCCC(=O)NCc1ccc(N(C)C)cc1 153657314 DPFSBZLJDJWZPL-AWEZNQCLSA-N 304.434 3.154 10 10 DGCE CNCc1ccc(N(C)CC(F)(F)F)c(C(F)(F)F)c1 163681444 SOVJCSQLZBHNQM-UHFFFAOYSA-N 300.246 3.423 10 10 DGCE CN(C)c1ccc(CN2C[C@H](CO)[C@H](c3ccsc3)C2)cc1 190291478 VWQFOJBOABFWHY-AEFFLSMTSA-N 316.470 3.022 10 10 DGCE [N-]=[N+]=NCCCCNC(=O)c1c(F)cccc1Br 231730785 HVHKYBSGTASVQS-UHFFFAOYSA-N 315.146 3.409 10 10 DGCE NCc1cc(F)c(N2CC[C@@H](C(F)F)C2)cc1Br 706395782 WHTPFFZOZFFPGG-SSDOTTSWSA-N 323.156 3.138 10 10 DGCE OCc1ccc(N(CC(F)F)CC2CC2)cc1Br 708298811 UWCCNAXMIHNMLZ-UHFFFAOYSA-N 320.177 3.423 10 10 DGCE CSC1(CNCc2cc(C)cc(Br)c2O)CC1 788524493 QTRJXDYDVABBGU-UHFFFAOYSA-N 316.264 3.448 10 10 DGCE Cc1ccc(CN(CCO)Cc2cc(Cl)cc(F)c2O)o1 793366423 SJYCMMVTDMFMMO-UHFFFAOYSA-N 313.756 3.081 10 10 DGCE COc1cc(CN2CC3(CCCOC3)C2)c(O)c(C(C)(C)C)c1 826113575 NGEPTOKLVQUXIB-UHFFFAOYSA-N 319.445 3.311 10 10 DGCE Cc1cc(O)c(CNCC2(CC(N)=O)CCCCC2)cc1Cl 827750420 GYBKTFOKDRXTLJ-UHFFFAOYSA-N 324.852 3.270 10 10 DGCE COCCN(C/C=C/c1ccc(N(C)C)cc1)CC(F)(F)F 835027590 NCHWNUMEDRGJSS-SNAWJCMRSA-N 316.367 3.277 10 10 DGCE CN(C)c1ccc(/C=C\CNC[C@@H](O)c2cccc(F)c2)cc1 835034356 AHUATHUPHXMSNK-PHWHVTFISA-N 314.404 3.228 10 10 DGCE Cc1cnn([C@H]2CCN(C/C=C/c3ccc(N(C)C)cc3)C2)c1 835052671 ILNPBORSSVVLGW-PXPVJAHISA-N 310.445 3.218 10 10 DGCE C[C@@H]1CN(C/C=C/c2ccc(N(C)C)cc2)C2(CCC2)CO1 846067214 PANXFZOVTQQRFM-MQDFFIGUSA-N 300.446 3.409 10 10 DGCE COC(=O)c1ccc(O)c([C@@H](C)N[C@@H](C)c2cscn2)c1 850511337 CHLFDHNLUMEDBN-ZJUUUORDSA-N 306.387 3.047 10 10 DGCE C[C@H](N[C@@H]1CCC[C@@H]1Cc1cnn(C)c1)c1ccc(F)cc1O 850540051 HVWXUHKFVNJQMK-DXCKQFNASA-N 317.408 3.327 10 10 DGCE COCCN(CC1C[C@H]2C[C@@H]2C1)c1ccc(OC)c(OC)c1 851846749 HAPMVIKYGPWHTO-GJZGRUSLSA-N 305.418 3.203 10 10 DGCE COc1ccc(N2CC[C@@H](Nc3ncccc3Cl)C2)cc1 853758804 KRWRSNRWSMAWBA-GFCCVEGCSA-N 303.793 3.434 10 10 DGCE COc1ccc(N2CC[C@@H](NC[C@@]3(C)CCCS3)C2)cc1 862407732 KZCRAWLAFSQDKW-RHSMWYFYSA-N 306.475 3.149 10 10 DGCE CN(C)c1ccc(/C=C/CNCC2(C(=O)O)CCCCC2)cc1 901784193 SKPLCDXKBRCEJI-VOTSOKGWSA-N 316.445 3.391 10 10 DGCE Nc1ccc2c(c1)CN(Cc1c(O)ccc(Cl)c1F)CCO2 903945072 PUSZVAWBRKXIDR-UHFFFAOYSA-N 322.767 3.162 10 10 DGCE CN1CCCc2cc(CN[C@@H]3CC[C@@H]4COCC[C@@H]4C3)ccc21 921625297 KIPMWMYCYBQSMA-BHIYHBOVSA-N 314.473 3.364 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@H](C)CC2)cc1 928532621 YQINMXGDRCDRFB-INIZCTEOSA-N 312.413 3.345 10 10 DGCE C[C@@H]1C[C@@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)CCO1 1124621116 CAZKKVGFEJBIGA-WBVHZDCISA-N 316.445 3.060 10 10 DGCE C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 1137066879 GQJRRUQRIFCIFI-YJBOKZPZSA-N 322.368 3.309 10 10 DGCE Oc1cc(Br)ccc1CNC[C@@H]1C[C@H]2C=C[C@H]1C2 1184303653 RJCNOABWHOAJOA-GVXVVHGQSA-N 308.219 3.457 10 10 DGCE C[C@@H]1CN(Cc2ccccc2)CCN1Cc1ccc(N(C)C)cc1 1191058323 PIRQPFRFPQKXJJ-GOSISDBHSA-N 323.484 3.459 10 10 DGCE CCN(Cc1c[nH]c2ccccc12)C(=O)Cc1ccc(O)c(O)c1 1296454646 UJYFFJRJLDRVLH-UHFFFAOYSA-N 324.380 3.170 10 10 DGCE Cc1nc2ccc(C(=O)NCc3cc(Cl)ccc3O)cc2o1 1300396608 ZWTMLNAVNQOCJH-UHFFFAOYSA-N 316.744 3.425 10 10 DGCE Nc1ccc(Cc2noc([C@@H]3CC[C@@H]4[C@@H](C3)C4(F)F)n2)cc1 1333767102 RPAPSGVPQSDXPA-RAIGVLPGSA-N 305.328 3.391 10 10 DGCE CC(F)(F)c1ccc(C(=O)NCc2c(O)cccc2O)cc1 1456313830 IJMZMFXSBDDHCD-UHFFFAOYSA-N 307.296 3.140 10 10 DGCE CCN(C(=O)Cc1ccc(O)c(O)c1)[C@@H](C)c1ccc(F)cc1 1464312955 AKBOGSRZJCBWBO-LBPRGKRZSA-N 317.360 3.389 10 10 DGCE Cc1cnc(Cl)c(C(=O)Nc2c(Cl)ccc3nonc23)c1 1525322695 VZVCZBGTQLELCA-UHFFFAOYSA-N 323.139 3.485 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)Nc2cccc(Cl)c2O)cc1 1567072906 MCLLVLHGLOFOJQ-UHFFFAOYSA-N 318.720 3.460 10 10 DGCE CN(C(=O)/C=C/c1cn(C)cn1)c1ccc(-c2nccs2)cc1 1596779396 SSVNEHWDGWTYMU-VMPITWQZSA-N 324.409 3.220 10 10 DGCE Cc1cc(C(=O)Cn2cccc(F)c2=O)c(C)n1-c1ccccc1 1613859019 ALFJIFAECIGQPU-UHFFFAOYSA-N 324.355 3.278 10 10 DGCE CC[C@H](C)CCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 1616858751 SLEUARWQWJGAPT-MAUKXSAKSA-N 319.493 3.298 10 10 DGCE CCOC(=O)/C=C/CN(Cc1ccccc1O)C1CCCC1 1641730964 BPPGTDUOBARNMP-KPKJPENVSA-N 303.402 3.256 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)[C@@H]1CSCCS1 1647791278 MXMSYDOYPCPGLX-HNNXBMFYSA-N 319.451 3.010 10 10 DGCE CCN1N=C(c2ccc(OC)cc2)/C(=C\c2ccc(F)cc2)C1=O 1865677695 XVIPBSBHZZXOSF-SFQUDFHCSA-N 324.355 3.484 10 10 DGCE COc1ccc(C2=NN(CC(C)C)C(=O)/C2=C/c2ccc[nH]2)cc1 1865677853 GLOZQZBRQNCCCJ-GZTJUZNOSA-N 323.396 3.309 10 10 DGCE COc1cc(Cl)cc(CN[C@H]2CCCS[C@@H]2C)c1O 1889266454 HWIKHPNNWBFQNV-SKDRFNHKSA-N 301.839 3.428 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)OCc2ccccc2)c1 1923924163 RLDMGZMRCHTKNE-GFCCVEGCSA-N 301.342 3.388 10 10 DGCE Oc1c(Br)cccc1CN[C@H](C(F)F)C1CC1 1942708340 VMBFYHMVVVIVNB-JTQLQIEISA-N 306.150 3.288 10 10 DGCE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(CCCN=[N+]=[N-])C1 1962287465 IHGQMNMVCZOAKR-QWHCGFSZSA-N 311.430 3.312 10 10 DGCE C[C@H](N[C@H]1C=CCN(C(=O)OC(C)(C)C)C1)c1ccccc1O 1971832638 CGJUVUYISYDSIK-KBPBESRZSA-N 318.417 3.218 10 10 DGCE CN(C)c1ccc([C@H](N)C2(C)CN(C(=O)OC(C)(C)C)C2)cc1 1977946843 YGEGZZAFPTUEEC-HNNXBMFYSA-N 319.449 3.009 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)c2occc2Br)CC1 2038000952 WRRDWAHUSQEOIF-MRVPVSSYSA-N 313.155 3.347 10 10 DGCE Oc1cccc(Br)c1Cn1ncc(C2CCC2)c1O 2070239754 XZBYIDLTGJECRP-UHFFFAOYSA-N 323.190 3.373 10 10 DGCE C[C@H](N)c1ccc(N(C)CCOC(F)F)cc1Br 2082818149 UQPLIMFINUPNDJ-QMMMGPOBSA-N 323.181 3.144 10 10 DGCE C[C@@]12CC[C@H]1CN(c1ccc(CN)c(Br)c1F)C2 2086877567 KNGXFCNXTIZXFX-HZMBPMFUSA-N 313.214 3.283 10 10 DGCE Oc1ccc(CNCc2cc(C(F)F)cs2)c(O)c1O 2177439687 GUFOISLPSHPSDN-UHFFFAOYSA-N 301.314 3.092 10 10 DGCE CNCc1cc(F)c(N2CC(SC(F)(F)F)C2)c(F)c1 2237480593 HNLQORVZBRCLDU-UHFFFAOYSA-N 312.307 3.126 10 10 DGCE COc1ccc(N(CCCN)Cc2ccccc2)c(OC)c1C 2246024644 DXUMZZWUKBLAKK-UHFFFAOYSA-N 314.429 3.368 10 10 DGCE CSc1ncc(CNCc2ccc([N+](=O)[O-])s2)s1 2257100246 BOASYKYCWIQSSY-UHFFFAOYSA-N 301.418 3.125 10 10 DGCE Cc1ccc(CN(C)Cc2ccon2)c(O)c1Br 2327602032 DNLCFSASUFUWSD-UHFFFAOYSA-N 311.179 3.083 10 10 DGCE COc1ccc(O)c(CNc2cc(O)ccc2Br)c1 2344261994 QHNHQZOEJCTMOC-UHFFFAOYSA-N 324.174 3.481 10 10 DGCE O=C1/C(=C/c2cccs2)C(O)=NC(=S)N1Cc1ccco1 464032 WSGOCFLUKRWZNV-YRNVUSSQSA-N 318.379 3.008 10 10 DGCE CCN[C@H](C)c1ccc(N(C)C[C@@H]2CCN(C)C2)c(Cl)c1 71189428 RKPOYCQUGBXVEA-ZIAGYGMSSA-N 309.885 3.398 10 10 DGCE CSCCCCNCc1cc(Br)ccc1O 76764769 ZYSXZLSELJUAFT-UHFFFAOYSA-N 304.253 3.388 10 10 DGCE Cc1ccc(N(CC(=O)O)Cc2cc(Cl)ccc2O)cc1 86737524 UGDGTYVFLBDWIX-UHFFFAOYSA-N 305.761 3.445 10 10 DGCE COC(=O)Cc1nc2ccccn2c1/N=N\c1ccc(O)cc1 96482463 BLNJVUIDMQMASC-HNENSFHCSA-N 310.313 3.171 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)C(=O)Nc1cccc2cccnc12 96785370 LOEVOOXPZIPESZ-LBPRGKRZSA-N 322.364 3.463 10 10 DGCE Cc1ccccc1[C@H](O)CNCc1ccc(N(C)C)c(F)c1 113342112 GEXHJQQRGVMWMP-GOSISDBHSA-N 302.393 3.023 10 10 DGCE COc1cc(CN(C)C[C@@H]2CCCO2)c(O)c(C(C)(C)C)c1 164356054 LDKNCHLKXMVFJD-AWEZNQCLSA-N 307.434 3.309 10 10 DGCE COc1cc(C)cc(CN2CCO[C@H](c3cccs3)C2)c1O 164504366 IEROVDIHHAQJQU-HNNXBMFYSA-N 319.426 3.344 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)c2cc3sccc3[nH]2)c1 192178583 VJDUIYCYYXDQBI-VIFPVBQESA-N 316.382 3.435 10 10 DGCE COc1ccc(O)c([C@H](C)NCc2ccc3c(c2)OCCO3)c1 192910985 IRQYZXVYAGLTFZ-LBPRGKRZSA-N 315.369 3.023 10 10 DGCE COc1cc(CNCc2cccnc2)ccc1N1CCCCC1 212696203 VJJUWLCKMASRJH-UHFFFAOYSA-N 311.429 3.370 10 10 DGCE Cc1cccc(CNC2CCN(C(=O)OC(C)(C)C)CC2)c1O 224795897 VPRACKGSKSCJCF-UHFFFAOYSA-N 320.433 3.190 10 10 DGCE [N-]=[N+]=NCCCN[C@H](C(=O)O)c1cc(Cl)ccc1Cl 236449387 RZZRYTYEBGHFBM-JTQLQIEISA-N 303.149 3.409 10 10 DGCE Cc1cc(Cl)cc(CN2CCS[C@H]3COCC[C@H]32)c1O 245872741 SBARPEQMOQUNOB-KGLIPLIRSA-N 313.850 3.060 10 10 DGCE CC[C@H]1COCCN1[C@H](C)c1cc(Br)ccc1O 251624502 FDYSIGABWQEQEJ-PWSUYJOCSA-N 314.223 3.327 10 10 DGCE CC[C@@H](C)COC(=O)/C=C\c1ccc(N2CCOCC2)cc1 255541240 NJCTYQZMDWHSGG-WUKHSURWSA-N 303.402 3.126 10 10 DGCE CN(C)c1ccc(CNC(=O)c2cc[nH]c2C2CC2)cc1F 284047035 UDUDEFRJPCICFZ-UHFFFAOYSA-N 301.365 3.027 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CCC[C@H]2c2ccn[nH]2)c1O 286123938 MGXBVVUDILYEPX-HNNXBMFYSA-N 319.792 3.308 10 10 DGCE Cc1ccc([C@@H](C)N[C@H]2[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c(O)c1 398347418 XVWSTDGYVPZFAP-ZXFPDNNPSA-N 322.452 3.482 10 10 DGCE CCN1CCN(c2ccc(CNCC3(C)CCC3)cc2F)CC1 766215429 ZAECEIOFHMUEJZ-UHFFFAOYSA-N 319.468 3.247 10 10 DGCE Cc1nc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(C)s1 773008099 CEHKRVNUBQQKMF-SNVBAGLBSA-N 303.431 3.317 10 10 DGCE CCN1CC[C@@H](N(C)Cc2cc(Cl)cc(F)c2O)[C@H](C)C1 775717912 VFJASADHGZFLGW-IAQYHMDHSA-N 314.832 3.347 10 10 DGCE CCOC(=O)c1ccc(C(=O)CSc2nccs2)cc1 783984013 DHSRXSAEXSNLGZ-UHFFFAOYSA-N 307.396 3.295 10 10 DGCE Cc1ccc(C[C@H](CO)NCc2cc(Cl)cc(C)c2O)cc1 786578738 IDBHCXQQYAVWAI-QGZVFWFLSA-N 319.832 3.356 10 10 DGCE O=C(COc1ccsc1)NCc1c(O)ccc2c1CCCC2 800518608 FYJPASDWCSHDJX-UHFFFAOYSA-N 317.410 3.028 10 10 DGCE C[C@H](NCC1(N)C2CC3CC(C2)CC1C3)c1cc(F)ccc1O 817984333 QOKNRUGBVUPFTQ-SYTRPRECSA-N 318.436 3.336 10 10 DGCE COc1ccc(N2CC[C@@H](CN[C@H]3CCCSC3)C2)cc1 818222879 XNNIDEAFRIRAEM-GJZGRUSLSA-N 306.475 3.007 10 10 DGCE CC(C)N1CC[C@H](CNC/C=C/c2ccc(N(C)C)cc2)C1 835052289 BZSDSOCFRKMSGC-DUMMIQTOSA-N 301.478 3.086 10 10 DGCE C[C@@H](N[C@@H]1CCO[C@H](c2ccncc2)C1)c1ccc(F)cc1O 846202100 UHPSUMMCWPZGME-DWQUBVKVSA-N 316.376 3.497 10 10 DGCE Cc1ccc(O)c([C@@H](C)NCc2cnc(C(F)(F)F)nc2)c1 850485304 DIHMSUITJIRFKN-SNVBAGLBSA-N 311.307 3.360 10 10 DGCE COc1ccc(N2CCCN(CC3C[C@@H]4C[C@H]4C3)CC2)cc1 851732950 DYJFXWDVBFDGNB-IAGOWNOFSA-N 300.446 3.253 10 10 DGCE CCN(CC)c1ccc(CN[C@H]2CC=C(C(=O)OC)C2)cc1F 862465859 MALLFISHUZLXKF-HNNXBMFYSA-N 320.408 3.023 10 10 DGCE CC[C@@H]1CCCC[C@H]1OCC(=O)N1Cc2cccc(O)c2C1 871203508 AYKLMSGNCNTYFC-CXAGYDPISA-N 303.402 3.220 10 10 DGCE Cc1ccc(O)c([C@H](C)NCc2cc(C(F)(F)F)nn2C)c1 926929638 YHVCKHZBFNYVHR-JTQLQIEISA-N 313.323 3.304 10 10 DGCE C/C(=C\c1ccncc1)C(=O)NCc1ccc2cccnc2c1O 1142731262 QTXPKNYBQXWEQV-ACCUITESSA-N 319.364 3.055 10 10 DGCE O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NCc1ccon1 1185574131 PCWHQDSMAZBRBW-UHFFFAOYSA-N 323.308 3.426 10 10 DGCE CCC1(C(=O)N(C)[C@@H](C)CNCc2ccc(OC)c(C)c2)CC1 1271093616 QJERCEXQQOHYJC-HNNXBMFYSA-N 318.461 3.130 10 10 DGCE COc1ccc(CNCCC[C@@H](C)NC(=O)C(C)(C)C)cc1C 1277343998 ZSISSYSGHQYNEK-OAHLLOKOSA-N 320.477 3.424 10 10 DGCE CN(Cc1ccc(-c2ccccn2)nc1)Cc1ccccc1O 1307537737 IYLHHEXAPJUXTH-UHFFFAOYSA-N 305.381 3.481 10 10 DGCE CC[C@@H](NCc1cc(C(F)(F)F)nn1C)c1ccccc1O 1335247579 YVGQVWQLOLWETA-GFCCVEGCSA-N 313.323 3.385 10 10 DGCE COC(=O)/C=C\c1ccc(N2C[C@H]3CCC[C@H]3C2)c([N+](=O)[O-])c1 1472900659 VCBSSDLQWLVQAB-IRQMKAKQSA-N 316.357 3.017 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@H]1CC=CCC1 1532654979 HTIUTBCNJSEXAQ-AWEZNQCLSA-N 300.402 3.224 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)Oc1cccc2c1OCCC2 1570692546 AGLXEVJFWNLJCA-VQHVLOKHSA-N 312.321 3.042 10 10 DGCE C[C@@H](NC(=O)c1ccc(N(C)C)cc1F)c1ccccc1O 1632247148 SJJFFAPBMBEIKK-LLVKDONJSA-N 302.349 3.088 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)N[C@H]1CC2CCC1CC2 1635526124 KFDBMDWJNAPXSM-MGULZYLOSA-N 308.809 3.424 10 10 DGCE C[C@H](NC(=O)c1cc(F)c(F)c(F)c1F)c1ccccc1O 1643741975 IECCEFKQAQVYOZ-ZETCQYMHSA-N 313.250 3.440 10 10 DGCE O=C(N1Cc2cccc(O)c2C1)C(F)(F)Cc1ccccc1 1644088473 WLDWPYIKKMCTAU-UHFFFAOYSA-N 303.308 3.112 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1ccn(C(F)F)n1 1645441045 SJOXBTPCBROXIW-UHFFFAOYSA-N 317.295 3.067 10 10 DGCE COCCCNC(=O)CCn1c2c(c3ccccc31)CCCC2 1850193971 LJAFOZKGOBMHNC-UHFFFAOYSA-N 314.429 3.063 10 10 DGCE [N-]=[N+]=N[C@H]1CCN(C(=O)COc2cc(Cl)ccc2Cl)C1 1912200744 KUQGCNHRLSUXIV-VIFPVBQESA-N 315.160 3.283 10 10 DGCE Nc1ccc(CCN(Cc2ccccc2)C2(CO)CCC2)cc1 1915788395 GYFFUELRIKJPMW-UHFFFAOYSA-N 310.441 3.229 10 10 DGCE CC[C@H](C[C@@H](NC)c1ccccc1O)NC(=O)OC(C)(C)C 1928469047 CZHFOTSQGSIYKQ-TZMCWYRMSA-N 308.422 3.346 10 10 DGCE C[C@H](NC(=O)OC(C)(C)C)C(F)(F)Cc1ccc(N)cc1 1953011850 LMANXROABLGQDD-JTQLQIEISA-N 300.349 3.360 10 10 DGCE COc1ccc(Br)c(CNC2CC3(CC3)C2)c1O 1964601874 DHJYYEZHOWWHNP-UHFFFAOYSA-N 312.207 3.196 10 10 DGCE CC[C@@H](CCN)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 1977891421 KFEADSNDSUCLQC-HNNXBMFYSA-N 321.465 3.275 10 10 DGCE CN(Cc1ccc(N)cc1)CC(C)(C)CNC(=O)OC(C)(C)C 1977925089 IROJFLBICIKJCE-UHFFFAOYSA-N 321.465 3.252 10 10 DGCE CCN(CCN(CC)C(=O)OC(C)(C)C)Cc1ccc(N)cc1 1977925530 LBJJIGYZMQYZHP-UHFFFAOYSA-N 321.465 3.348 10 10 DGCE CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](N)c1ccc(N(C)C)cc1 1977945243 MRKXCPOGGAHVNN-HOTGVXAUSA-N 321.465 3.446 10 10 DGCE Oc1c(Br)cccc1CNC[C@@H]1CCCOCC1 2028644144 CRYRHJAMKTXBOW-LLVKDONJSA-N 314.223 3.061 10 10 DGCE CO[C@H]1CC[C@H]1CCNCc1c(O)cccc1Br 2066816919 NMRMCAVFXXWBTH-HZMBPMFUSA-N 314.223 3.059 10 10 DGCE C[C@H]1CCC[C@@H]1CS(=O)(=O)Nc1ccc(O)c(Cl)c1 2093552884 MDGBUUPNVNDJLR-VHSXEESVSA-N 303.811 3.224 10 10 DGCE [N-]=[N+]=NCC1(CNC(=O)c2cnc(Cl)c(Cl)c2)CC1 2117726963 DPWOVHGQZPESCD-UHFFFAOYSA-N 300.149 3.209 10 10 DGCE CC(C)(C)NCc1cnc(Sc2n[nH]c(C3CC3)n2)s1 2155333855 FFVBKQNUBCLLMM-UHFFFAOYSA-N 309.464 3.178 10 10 DGCE CSc1ncc(CNC(=O)c2cc(S)cs2)s1 2248728202 JRWHNAQXDPILLG-UHFFFAOYSA-N 302.471 3.145 10 10 DGCE CNCc1ccc(N2C[C@@H]3C[C@@H]3C2(C)C)cc1Br 2257027125 QZFVFTGRBMBNFM-AAEUAGOBSA-N 309.251 3.403 10 10 DGCE NCc1ccc(N2C[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2)cc1Br 2264894222 HIOGGNPVNQIHQI-HGSJOUDDSA-N 321.262 3.390 10 10 DGCE CSc1ncc(Cn2c(S)nc3ccc(C)nc32)s1 2269274889 ZOPOIYIQDDPGIM-UHFFFAOYSA-N 308.457 3.255 10 10 DGCE C[C@@H](NC[C@@H]1C[C@H]1NC(=O)OC(C)(C)C)c1ccc(F)cc1O 2296554876 BDCLGGHZWNWBRD-UHIISALHSA-N 324.396 3.095 10 10 DGCE COC[C@H](C)[C@@H](C)NCc1ccc(C)c(Br)c1O 2327625077 YCQVOOYROSVZGT-WDEREUQCSA-N 316.239 3.224 10 10 DGCE C[C@@H](NCc1cc(OC(F)(F)F)ccc1O)C1CSC1 2361043871 QBAKHGCFAAFADF-MRVPVSSYSA-N 307.337 3.132 10 10 DGCE COC1(C(F)F)CC(CNCc2cc(Cl)ccc2O)C1 2369066664 FDCGBXGCAUHQJS-UHFFFAOYSA-N 305.752 3.196 10 10 DGCE CCN(CC(F)(F)F)c1ccc(CNCCOC)c(C)c1 62737863 CPOXGLUAPJTUBO-UHFFFAOYSA-N 304.356 3.120 10 10 DGCE CC(C)c1ccc(NS(=O)(=O)Cc2ccc(N)cc2)cc1 20548169 HLGSAQNPHNFIHL-UHFFFAOYSA-N 304.415 3.334 10 10 DGCE C[C@@H](N[C@@H](CN(C)C)c1ccccc1)c1cc(F)ccc1O 176981353 NJTVFJJHXQXRBT-DYVFJYSZSA-N 302.393 3.485 10 10 DGCE COc1ccc(O)c(CNC(=O)c2c(C)oc3ccccc23)c1 184718185 RLIFIMGTYUTBFL-UHFFFAOYSA-N 311.337 3.385 10 10 DGCE COCCCN(C)[C@@H](C)c1cc(Br)ccc1O 134044839 FCABMGYVYRUSLV-JTQLQIEISA-N 302.212 3.184 10 10 DGCE O=C(Oc1ccccc1)N1CCc2cc(N3CCOCC3)ccc21 41122077 VTLRRTPIIGKTSK-UHFFFAOYSA-N 324.380 3.085 10 10 DGCE CN[C@H]1C(=O)Nc2cc(N(C)Cc3ccc(Cl)s3)ccc21 48972358 WLMDQIVQUWOVOA-CQSZACIVSA-N 321.833 3.251 10 10 DGCE CCOc1ccc(O)c(CN[C@@]2(CO)C[C@H](C)CC(C)(C)C2)c1 236849008 XPTWSRRAFZYNIO-KUHUBIRLSA-N 321.461 3.458 10 10 DGCE COc1ccc(CNC[C@H](n2cccn2)C(F)(F)F)cc1C 527741906 IWIUXDPINRBEEC-AWEZNQCLSA-N 313.323 3.093 10 10 DGCE Cc1cc(O)c(CN2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)cc1C 373735963 KUAVIIHJJIZMKJ-GJYPPUQNSA-N 319.445 3.167 10 10 DGCE CN(C)c1ccc([C@H](N)Cc2ccncc2Br)cc1 702912889 IOWORCYLPWAJJV-OAHLLOKOSA-N 320.234 3.153 10 10 DGCE Oc1cc(F)c(Cl)cc1CNCCc1cnc(C2CC2)nc1 816559234 CFSLRXREGUBLIZ-UHFFFAOYSA-N 321.783 3.184 10 10 DGCE Cc1cc(Cl)cc(CN2CC[C@H]([C@@H](O)C(F)(F)F)C2)c1O 825124152 IVXCEYURVVDXKL-TVQRCGJNSA-N 323.742 3.099 10 10 DGCE CCOc1ccc(CN2CC(COC)(C3CCC3)C2)c(O)c1 827011237 GRBMNPDHHDBJIK-UHFFFAOYSA-N 305.418 3.039 10 10 DGCE CN(C)c1ccc(/C=C/CNC2CCN(CC(F)F)CC2)cc1 835037568 QPZBZXXKYSHGKL-ONEGZZNKSA-N 323.431 3.085 10 10 DGCE CCN(CC)c1ccc(CNC(=O)N2C[C@H](C)[C@H]2C)cc1F 838392317 SWFFVXYYKUMDHJ-QWHCGFSZSA-N 307.413 3.222 10 10 DGCE CN1CCC[C@@H](NC(=O)c2cc(O)cs2)c2ccccc21 839788130 YJYBMLLWAUCVFB-CYBMUJFWSA-N 302.399 3.155 10 10 DGCE C[C@@H](O)[C@H](NCc1c(O)ccc(Cl)c1F)c1ccccc1 850421570 YTUDSRGPXOKKBV-HWPZZCPQSA-N 309.768 3.396 10 10 DGCE C[C@@H](NCC[C@@H]1CCOC1)c1cc(Br)ccc1O 757656523 JHQSVQBRSBWFIJ-GHMZBOCLSA-N 314.223 3.232 10 10 DGCE Cc1cc(O)c(CN2CCC3=C(CCC(=O)N3)C2)cc1C(C)C 853520935 PVKIAULMUPUJQO-UHFFFAOYSA-N 314.429 3.194 10 10 DGCE CO[C@H]1C[C@@H](CNC(=O)c2sccc2-n2c(C)ccc2C)C1 863773396 VYSCWQQWFFURLR-OKILXGFUSA-N 318.442 3.310 10 10 DGCE Cc1ccc(O)c(CNC(=O)CC2CC(OC(C)(C)C)C2)c1 862757572 YVXGOHRXJZJFDD-UHFFFAOYSA-N 305.418 3.301 10 10 DGCE O=C(CCCc1ccc(O)c(F)c1)N1Cc2cccc(O)c2C1 871203787 GVPZZRKCUCWGHN-UHFFFAOYSA-N 315.344 3.102 10 10 DGCE C[C@H](CC(=O)N1Cc2cccc(O)c2C1)N1CCc2ccccc21 871205594 HUOVJPKJSABNLQ-CQSZACIVSA-N 322.408 3.076 10 10 DGCE c1cc(N2CCOCC2)ccc1CN[C@H]1CCCC2(CC2)C1 883175589 KIYGHKBLXWBTLA-KRWDZBQOSA-N 300.446 3.336 10 10 DGCE COc1ccc(CNC(=O)N[C@H]2CCCC[C@@H]2C(C)C)c(O)c1 792981577 XPPZLQPUJBIFNZ-CVEARBPZSA-N 320.433 3.415 10 10 DGCE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](Nc2ccccc2N)C1 1959367755 QERWAJOWQGVCJO-STQMWFEESA-N 305.422 3.374 10 10 DGCE COc1ccc(O)c(CNC[C@H](C)N(C)Cc2ccccc2)c1 390537398 PNEDVCATCYAJMU-HNNXBMFYSA-N 314.429 3.011 10 10 DGCE COc1ccc(N(C)CCOc2ccc3c(c2)OCO3)cc1F 1459718125 QXXZVAIEOJVZLT-UHFFFAOYSA-N 319.332 3.078 10 10 DGCE COc1ccc(N(C)CC(=O)Nc2ccc(SC)cc2)cc1 1460337636 WWIXIQXXPOHEAP-UHFFFAOYSA-N 316.426 3.492 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)Nc2c[nH]ccc2=O)c1 1464823984 WURIFMKEOGEWOW-UHFFFAOYSA-N 321.380 3.343 10 10 DGCE CCCCNCc1ccc(N(CC)CCO)c(OC(C)C)c1 212129488 QZXLQTPHGQYUPG-UHFFFAOYSA-N 308.466 3.182 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1CC12CCC2 1478841407 VTAKBDXIJMWPFX-WMLDXEAASA-N 315.461 3.234 10 10 DGCE CC[C@H](CNC(=O)[C@@H]1CC1(C)C)NCc1ccc(OC)c(C)c1 1567956971 ZLPZJJCZEYDBIE-CVEARBPZSA-N 318.461 3.034 10 10 DGCE CCC(CC)C(=O)N[C@H](C)[C@@H](C)NCc1ccc(OC)c(C)c1 1733965593 VZRXMOVREHOUDG-HUUCEWRRSA-N 320.477 3.423 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](CO)CC(C)C 1644599772 JJMYRKTUNQGAEQ-CQSZACIVSA-N 320.458 3.292 10 10 DGCE Cc1ccc2c(c1)C=C(C(=O)N[C@@H](C)c1ccccc1O)CO2 1642830337 CWZGEFLWZROZAD-ZDUSSCGKSA-N 309.365 3.354 10 10 DGCE CCCNCc1ccc(N2CCN(C3CC3)CC2)c(Cl)c1 163989262 COZLNCGNEURGNV-UHFFFAOYSA-N 307.869 3.124 10 10 DGCE CCOC1CCN(c2ccc(/C=C/C(=O)O)cc2Cl)CC1 164355774 SYOLTWUASPSRHQ-GQCTYLIASA-N 309.793 3.443 10 10 DGCE Oc1c(Cl)cccc1CNc1ccccc1-n1ccnn1 164950804 RQCGNSDTIYBGPA-UHFFFAOYSA-N 300.749 3.238 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(Cc2ncc(Br)s2)C1 1912207984 OFGRMLJTAXTOQS-ZETCQYMHSA-N 302.201 3.180 10 10 DGCE CN[C@@H](C)c1ccc(N(Cc2ccccc2)[C@H](C)CO)cc1O 1914361032 VDYAVDLNGVIEJP-CABCVRRESA-N 314.429 3.060 10 10 DGCE CC[C@@H]1[C@H]2CNC[C@H]2CN1Cc1cc(Cl)cc(Cl)c1O 251730885 SLWMVUAJCISCEV-VHRBIJSZSA-N 315.244 3.129 10 10 DGCE CCN[C@H](c1ccccc1O)c1ncsc1Br 1942390647 AAQZBNUMTOGKEA-SNVBAGLBSA-N 313.220 3.310 10 10 DGCE C[C@@H](NCc1ccc(Br)cc1O)[C@H]1CC1(F)F 1942441686 QMEIGTCDQHUOIP-GMSGAONNSA-N 306.150 3.288 10 10 DGCE CC(C)n1cncc1CNCc1ccc(Br)cc1O 1971348128 DTLDYNOMDZICCQ-UHFFFAOYSA-N 324.222 3.222 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1NCc1c(O)cccc1F 1976877501 PTYFWTJVLDHXBS-KBPBESRZSA-N 324.396 3.067 10 10 DGCE C[C@@H](CN(C)C(=O)OC(C)(C)C)[C@H](N)c1ccc(N(C)C)cc1 1977945199 MGQCTNMRUJWPEZ-BBRMVZONSA-N 321.465 3.255 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H]2CCN(c3ccc(N)cc3)C[C@@H]21 1977970209 KIHJEAMNPBGQDX-CJNGLKHVSA-N 317.433 3.105 10 10 DGCE CN(Cc1ccccc1)[C@H]1CCCN(Cc2ccc(N)cc2)C1 1980494852 DQAWODAARKNKAC-FQEVSTJZSA-N 309.457 3.365 10 10 DGCE Oc1cc(Br)ccc1CN[C@@H](CF)C(F)(F)F 2012896073 ARNCOLGOOBXKEN-VIFPVBQESA-N 316.092 3.145 10 10 DGCE CO[C@H]1C[C@H]2C[C@H]1C[C@@H]2Nc1c(N)cccc1Br 2040793870 CELCSYKLALKFHX-PSJXJDHFSA-N 311.223 3.257 10 10 DGCE Cc1cc(Cl)n(Cc2cc(Br)ccc2O)n1 2070038453 DHWXMAVAHKRFOD-UHFFFAOYSA-N 301.571 3.361 10 10 DGCE COc1ccc(O)c(Cn2nc(C3CCCCC3)cc2CO)c1 2070155893 TYLPQFGMLCSCTR-UHFFFAOYSA-N 316.401 3.186 10 10 DGCE CC(C)Cc1cnn(Cc2cc(C(F)(F)F)ccc2O)c1N 2070260320 XQOPAYBJVIDVOA-UHFFFAOYSA-N 313.323 3.437 10 10 DGCE CN(c1cc(Cl)c(CN)cc1F)[C@H]1CCCOC1(C)C 2177380727 GZTMTCHKICNFIU-AWEZNQCLSA-N 300.805 3.332 10 10 DGCE C[C@H](c1cc(Br)ccc1O)N(C)c1ccnn1C 2052794930 CQGZYUKXCJJORK-SECBINFHSA-N 310.195 3.086 10 10 DGCE Oc1c(F)cc(Br)cc1CN1C[C@@H](F)C[C@@H](F)C1 2062334372 GNEAHFBKSZJWQE-AOOOYVTPSA-N 324.140 3.176 10 10 DGCE Cc1ccc(Br)c(C(=O)N2CCC[C@H]2CN=[N+]=[N-])n1 2112725141 RLQBKUYLCWWXDJ-VIFPVBQESA-N 324.182 3.067 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)c1snc(Cl)c1Cl 2218746649 XUENQRLATYTCPE-RFZPGFLSSA-N 306.178 3.411 10 10 DGCE C[C@H](Nc1cn(C)nc1Br)c1cc(F)ccc1O 2223019962 SGIGBEHZKMYPSL-ZETCQYMHSA-N 314.158 3.200 10 10 DGCE CC(=O)c1cc(Cl)cc(CN(C)CC2(Cl)CC2)c1O 2229602642 OSOZRIFSMRRNIT-UHFFFAOYSA-N 302.201 3.451 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)C=Cc1ccnn1CC 2303631214 OAGOGBRFCDWFNO-UHFFFAOYSA-N 313.401 3.061 10 10 DGCE O=C(C=Cc1ccc(O)cc1)NCCCSc1nccs1 2309020962 UEILXYBGEJFINZ-UHFFFAOYSA-N 320.439 3.161 10 10 DGCE O=C(O)c1ccccc1N=Nc1c(C(=O)O)nc2ccccn12 2320767311 BWTCEDBVXFOXCW-UHFFFAOYSA-N 310.269 3.146 10 10 DGCE CCC[C@@H](CCO)NCc1ccc(C)c(Br)c1O 2327796842 NPMPDHMPHDDXPX-LBPRGKRZSA-N 316.239 3.104 10 10 DGCE CC(C)CC1=NN2C(=N)/C(=C\c3cccs3)C(=O)N=C2S1 3862200 UGADEAMSDZPWDL-UXSUIVTHSA-N 318.427 3.413 10 10 DGCE CN(C(=O)c1ccccc1Br)c1ccc(N)cc1 20374204 KEFZSBISCHVHMD-UHFFFAOYSA-N 305.175 3.308 10 10 DGCE Nc1ccc(OCCC[S@@](=O)c2ccc(F)c(F)c2)cc1 40969044 FRWROESOLUMAJD-NRFANRHFSA-N 311.353 3.124 10 10 DGCE CCN[C@@](C)(CCCCSc1nccs1)C(=O)OCC 45596440 NWUCLYXTDYGEIZ-AWEZNQCLSA-N 316.492 3.337 10 10 DGCE N[C@@H](CC(F)(F)F)c1ccc(F)c(Br)c1O 95706821 MYMNZXODNLHNLS-LURJTMIESA-N 302.065 3.246 10 10 DGCE CCCNCc1ccc(N2[C@H]3CC[C@@H]2CC(O)C3)c(Cl)c1 164085403 VBPPSRXAZVKVPM-YIONKMFJSA-N 308.853 3.332 10 10 DGCE COC[C@@H](C)N(C)C(=O)c1ccc(-n2c(C)ccc2C)cc1 193605170 VYCNDMVYBHCTHZ-OAHLLOKOSA-N 300.402 3.201 10 10 DGCE CCOCCN(CCOCC)[C@@H](C)c1cc(Cl)ccc1O 211266264 UQJUPMQGGGUDLS-ZDUSSCGKSA-N 315.841 3.482 10 10 DGCE CN(C)c1ccc(CN[C@H]2CCCCCC[C@@H]2C(=O)O)cc1 277315545 NPNWPJANMFTZJD-IRXDYDNUSA-N 304.434 3.266 10 10 DGCE CC[C@H](NC[C@@H]1CCc2nccn2C1)c1ccc(N(C)C)cc1 278913163 GZYALINIOSFROP-YJBOKZPZSA-N 312.461 3.252 10 10 DGCE C[C@H]1[C@H](N(C)C)CCN1Cc1cc(Cl)cc(Cl)c1O 381830481 IYAQVRXKSUOGBY-TVQRCGJNSA-N 303.233 3.223 10 10 DGCE C[C@H](C1CC1)N(Cc1ccccc1)c1ccc2c(c1)NC(=O)[C@@H]2N 385517950 SKVYDLJPMRNQIM-BFUOFWGJSA-N 321.424 3.444 10 10 DGCE CSC[C@H]1CCCN1c1ccc(CN)c(C(F)(F)F)c1 400281430 JHNLZDUAWKCRIY-GFCCVEGCSA-N 304.381 3.496 10 10 DGCE O=C(NCc1ccc(Cl)c(Cl)c1)c1cccc(O)c1O 690290056 MNAFLRXPLANDAP-UHFFFAOYSA-N 312.152 3.335 10 10 DGCE NCc1cc(F)c(N2CCC[C@@H](CF)C2)cc1Br 711483964 ZJRKHQBKLXDVLX-VIFPVBQESA-N 319.193 3.233 10 10 DGCE CN[C@H](C)c1ccc(N2C[C@H](F)[C@@H](F)C2)c(Br)c1 714732042 CANXBVSCGNBAQF-ZHAHWJHGSA-N 319.193 3.226 10 10 DGCE COC(=O)/C=C/c1ccc(N(C)[C@@H](C)C(C)C)c([N+](=O)[O-])c1 733186968 MJFYKBPYZRANNY-CRALRDPISA-N 306.362 3.262 10 10 DGCE C[C@@H](CCNCc1cc(-c2ccccc2)ccc1O)[S@](C)=O 765287107 SARODSSTLINOAC-FPTDNZKUSA-N 317.454 3.306 10 10 DGCE COC(=O)/C=C\c1ccc(N2CCCC[C@H](C)C2)c([N+](=O)[O-])c1 772210529 CEXKHQAVAIKHMP-JWJUJFCLSA-N 318.373 3.407 10 10 DGCE Cc1cncc(/C=C\C(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)c1 773990116 CAHRNKUGNIDKKI-ARJAWSKDSA-N 323.352 3.209 10 10 DGCE Cc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cn1 775402138 BNRUUKQNGDMRON-CUXKMMBLSA-N 309.413 3.347 10 10 DGCE CC[C@H]1C[C@H](CN(C)c2cc(OC)c(OC)c(OC)c2)CCO1 780775249 SUQXLKJCOMEBBZ-HIFRSBDPSA-N 323.433 3.354 10 10 DGCE CO[C@@H](CNCc1cc(C)cc(Br)c1O)C(C)C 781632119 HCUPSBXBHBRAGW-ZDUSSCGKSA-N 316.239 3.224 10 10 DGCE FC(F)Oc1ccc(N2CCC(NCC3(F)CC3)CC2)cc1 792950529 KGSXCTYCVGVQGF-UHFFFAOYSA-N 314.351 3.349 10 10 DGCE C[C@]12C[C@@H]1CCC[C@@H]2NCc1ccc(N2CCOCC2)c(F)c1 800475433 BTEQNFXBKCIUGH-SNRMKQJTSA-N 318.436 3.331 10 10 DGCE Cc1ncsc1-c1nc(COc2ccc(N(C)C)cc2)no1 810002533 ZXGSTZVCOIVKSO-UHFFFAOYSA-N 316.386 3.147 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCc2cccc(O)c21 815629941 SDNLAQFQWYHDFQ-QGZVFWFLSA-N 324.424 3.113 10 10 DGCE C[C@H](N[C@@H]1CNCC[C@@H]1C)c1cc(Cl)c(Cl)cc1O 817969548 WXABKQFQVYRFHT-MWODSPESSA-N 303.233 3.348 10 10 DGCE Oc1ccc(Cl)c(F)c1CNCC1(CF)CCOCC1 824794362 DGEIIQZOKCECSN-UHFFFAOYSA-N 305.752 3.041 10 10 DGCE Cc1cc(C)c(O)c(CN2CCc3cc(Cl)nnc3C2)c1 842619346 ZYQMPQRSVFOPCB-UHFFFAOYSA-N 303.793 3.011 10 10 DGCE CCN(CC)c1ccc(CN2CCNC[C@@H]2c2cccnc2)cc1 843117855 UYEPNBRYMBLWKI-HXUWFJFHSA-N 324.472 3.074 10 10 DGCE COc1cccc(O)c1CN1C[C@H](C)OC2(CCCCC2)C1 848929762 ZTLWMEBIJNFFSP-AWEZNQCLSA-N 305.418 3.324 10 10 DGCE C[C@@H](NCCO[C@@H]1CC1(F)F)c1cc2c(cc1O)CCCC2 850520878 HXRQIGCBCCQEEW-BDJLRTHQSA-N 311.372 3.346 10 10 DGCE COCC1(CCNCc2c(O)cccc2Br)CC1 858181921 ANSNVEVMMJTZMG-UHFFFAOYSA-N 314.223 3.061 10 10 DGCE Cc1cc(Cl)cc([C@@H](C)N[C@H]2CCN(C3CCC3)C2=O)c1O 858602556 BVOKXQAFTZPJOO-ABAIWWIYSA-N 322.836 3.158 10 10 DGCE C[C@H](NCc1cc(C(F)(F)F)nn1C)c1ccc(F)cc1O 926929665 YYNUBNCXTPMQKZ-QMMMGPOBSA-N 317.286 3.134 10 10 DGCE C[C@H](NC[C@H]1CCCC2(CCC2)O1)c1cc([N+](=O)[O-])ccc1O 927009377 CMVSIXUSUYNEQZ-GXTWGEPZSA-N 320.389 3.443 10 10 DGCE C[C@@H](OCC1CC1)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1124549573 NBSFVDHIBYOVCJ-OAHLLOKOSA-N 316.445 3.060 10 10 DGCE O=C(NCc1c(O)cccc1O)[C@@H]1CCc2c(Cl)cccc21 1178912290 RKVNSIGDODVRPZ-GFCCVEGCSA-N 317.772 3.097 10 10 DGCE Cc1ccc(CCCCC(=O)NCc2cccc(O)c2O)cc1 1350300203 NXTAGPVZHVWPFO-UHFFFAOYSA-N 313.397 3.435 10 10 DGCE CO[C@@H](C(=O)NCc1ccc(N(C)C)cc1C)C1CCCCC1 1360273207 GVEGSARFLOOBEV-GOSISDBHSA-N 318.461 3.273 10 10 DGCE COc1ccc2c(c1)C[C@@H](C(C)C)CN2C[C@H](O)CSC 1460282099 CQXIXAJBXDAJJV-CABCVRRESA-N 309.475 3.054 10 10 DGCE O=C(Nc1cc2c(cc1Cl)OCCO2)c1cc(O)cs1 1543782599 RIVDYMDLFGRPCS-UHFFFAOYSA-N 311.746 3.131 10 10 DGCE C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1O 1557967996 NYKHAJGSULRGLV-VIFPVBQESA-N 320.732 3.445 10 10 DGCE C[C@H](C(=O)NCc1c(O)ccc2ccccc12)c1ccncc1 1597743284 ZOUIUXVTZYAZIO-ZDUSSCGKSA-N 306.365 3.360 10 10 DGCE CN(Cc1ccc(Cl)c(F)c1)C(=O)Cc1ccc(O)c(O)c1 1624562943 LDWOVZQIGSKCLL-UHFFFAOYSA-N 323.751 3.091 10 10 DGCE O=C(Nc1cccc(N2CCCC2)c1)c1ccc(F)c(O)c1 1626162730 YWSOTMZFOGTFEE-UHFFFAOYSA-N 300.333 3.384 10 10 DGCE CCCC[C@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 1627464619 PCVZWPLLLMKOJS-YJBOKZPZSA-N 319.493 3.298 10 10 DGCE C[C@H](NC(=O)c1c[nH]nc1-c1ccco1)c1ccc(N(C)C)cc1 1638955972 DHPKOWWTDVFSBE-LBPRGKRZSA-N 324.384 3.227 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)c1c(F)cc(F)cc1F 1639965267 INOONCOTWPROHG-UHFFFAOYSA-N 315.678 3.393 10 10 DGCE CC[C@H](C)Oc1cc(C(=O)N[C@@H](C)c2ccccc2O)ccn1 1642831305 WGFWMACZYOSLMZ-STQMWFEESA-N 314.385 3.456 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1CCCC12CC2 1683237993 BRFRLZQHMBLAPN-KRWDZBQOSA-N 314.429 3.403 10 10 DGCE CC1(CNC(=O)NCc2cccc(Cl)c2O)C[C@H]2C[C@@H]2C1 1684416246 RWHOTLXDKXLCMW-VXGBXAGGSA-N 308.809 3.281 10 10 DGCE Cc1cccc(C)c1OCC(=O)N(c1ccc(N)cc1)C1CC1 1857927103 WBXWYIBPVXRHAW-UHFFFAOYSA-N 310.397 3.460 10 10 DGCE CN1CCC(N(C)/N=N/c2ccc(Cl)c([N+](=O)[O-])c2)CC1 1860483721 GOIXZPDPUZPRMC-FOCLMDBBSA-N 311.773 3.273 10 10 DGCE CCN1N=C(c2ccccc2)/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O 1865680076 WDGBAJRMJIKQSY-VBKFSLOCSA-N 321.336 3.245 10 10 DGCE [N-]=[N+]=NCC1CCN(C(=O)c2cccc(Br)n2)CC1 1912156567 MSSRYNDJMAFDJI-UHFFFAOYSA-N 324.182 3.007 10 10 DGCE OCc1ccc(N(Cc2ccccc2)C2COC2)c(Cl)c1 1915733171 HWMKDSBNEGJRDO-UHFFFAOYSA-N 303.789 3.238 10 10 DGCE Cc1cccc([C@H](O)[C@H](N)c2ccccc2O)c1Br 1927233030 URJAPUZUDMCKDI-CABCVRRESA-N 322.202 3.197 10 10 DGCE CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@H](N)c1ccccc1O 1928475640 ZWAIXAAFKSWJBC-DZGCQCFKSA-N 308.422 3.331 10 10 DGCE CC(C)(C)OC(=O)N1CC(CCC[C@H](N)c2ccccc2O)C1 1936970448 MCWXZJQAWPNYON-HNNXBMFYSA-N 320.433 3.429 10 10 DGCE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNCc1ccc(N)cc1 1937860042 QCNYVTDYEJLTDY-CZUORRHYSA-N 319.449 3.004 10 10 DGCE CSC1CN(c2ccc([C@H](C)N)c(Br)c2)C1 1939041963 LGXYWADXYIFEOH-QMMMGPOBSA-N 301.253 3.020 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1Nc1ccc(N)cc1 1959371836 POLAHUKSQFPHJS-DOMZBBRYSA-N 305.422 3.326 10 10 DGCE C[C@H]1CCN(c2ccc(N)cc2)CCN1C(=O)OC(C)(C)C 1959553244 HXOCCGXJDHOJKW-ZDUSSCGKSA-N 305.422 3.105 10 10 DGCE CC(C)(C)OC(=O)N[C@@]1(C)CCCN(c2ccc(N)cc2)C1 1959573845 YIWXXKHDEIJPSA-KRWDZBQOSA-N 305.422 3.152 10 10 DGCE COc1ccc(Br)c(CN[C@@H]2CC23CCC3)c1O 1965910415 QSKFYWKFEYAFJH-GFCCVEGCSA-N 312.207 3.196 10 10 DGCE COC[C@](C)(NCc1ccc(Br)cc1O)C1CC1 1967800709 ZDMZPAYTDVGJRE-AWEZNQCLSA-N 314.223 3.059 10 10 DGCE C[C@@H](O)c1ccc(N(C)CC2(Br)CC2)c(F)c1 2020247263 BATGKQYHKGLZOF-SECBINFHSA-N 302.187 3.243 10 10 DGCE C[C@@H](O)c1ccc(N2CC=C[C@H]2CF)c(Br)c1 2024024063 UDUAPKAZPRSYJN-KOLCDFICSA-N 300.171 3.217 10 10 DGCE Nc1cccc(Br)c1N[C@H]1CCOCCC1(F)F 2035873414 VZWGUJYMZGQPAZ-JTQLQIEISA-N 321.165 3.258 10 10 DGCE CO[C@@H]1CCCN(Cc2c(O)cccc2Br)[C@@H]1C 2037813524 VFMGUUMSZYMGCY-QMTHXVAHSA-N 314.223 3.154 10 10 DGCE CN(C)c1ccc([C@@](C)(N)c2ccc(Br)o2)cc1 2044708305 LTFPTOGLBGBVMU-CQSZACIVSA-N 309.207 3.330 10 10 DGCE Cc1ccc(C2=NC(=Cc3ccc(N(C)C)cc3)C(=O)O2)cc1 2053466591 OHYANXFRLWWXKU-UHFFFAOYSA-N 306.365 3.406 10 10 DGCE C[C@H](N)c1ccc(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@H]32)c(Br)c1 2053731833 YQPHRBFMDJCPND-MMUDCKCXSA-N 307.235 3.313 10 10 DGCE CNCc1ccc(N2C[C@H]3CC=CC[C@@H]32)c(Br)c1 2057018879 KBSQAERVEAGSNI-OCCSQVGLSA-N 307.235 3.323 10 10 DGCE CCN(CC)c1ccc([C@@]2(O)CCCC3(C2)OCCO3)cc1 2106833629 LZIPVKUGFDIZMZ-QGZVFWFLSA-N 305.418 3.038 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@H]1NC(=O)c1c(Cl)cncc1Cl 2227697819 UYWSIPQFKQBLOP-BDAKNGLRSA-N 300.149 3.350 10 10 DGCE C[C@H](O)c1ccc(N(C)C[C@H](F)[C@H]2CCOC2)cc1Cl 2238343269 MUKWIVYNJZMEQX-PGUXBMHVSA-N 301.789 3.204 10 10 DGCE CSc1ncc(CNC(=O)c2c(N)cccc2Cl)s1 2269093106 MNUDFJBBEBHLKM-UHFFFAOYSA-N 313.835 3.031 10 10 DGCE C[C@@H](Nc1cscc1S(C)(=O)=O)c1ccc(F)cc1O 2288332948 SHIGGQVUYOHMNB-MRVPVSSYSA-N 315.391 3.169 10 10 DGCE Cc1ccc(CNOCC(F)(F)F)c(O)c1Br 2307476861 GETWXZWQNMPDQY-UHFFFAOYSA-N 314.101 3.047 10 10 DGCE CS[C@H]1CC[C@@H]1NCc1cc(OC(F)(F)F)ccc1O 2361044191 VIRWSPHZGGLYQB-JQWIXIFHSA-N 307.337 3.274 10 10 DGCE C[C@@H](NS(=O)(=O)Cc1ccc(N)cc1)c1ccccc1Cl 40323644 ZIKQUZUJEVHTLC-LLVKDONJSA-N 324.833 3.103 10 10 DGCE Nc1ccc(OCCC[S@](=O)c2ccc(Cl)cc2)cc1 40960842 GKCORKHVVCXCOS-HXUWFJFHSA-N 309.818 3.499 10 10 DGCE COc1cc(/C=C/C(=O)N(C)Cc2ccccc2O)ccc1F 159079628 KZGCKNSZYVHOAR-CSKARUKUSA-N 315.344 3.212 10 10 DGCE CC[C@H](NC(=O)N(C)Cc1ccccc1O)c1nccs1 162803089 HBHQIFQBOZGXAN-LBPRGKRZSA-N 305.403 3.141 10 10 DGCE CC(C)CN(Cc1cc([N+](=O)[O-])ccc1O)CC(F)(F)F 173332337 SCPBQKOOMMLBFR-UHFFFAOYSA-N 306.284 3.321 10 10 DGCE COc1ccc2ccc(O)c(CN3CCO[C@H](C(F)F)C3)c2c1 193441961 UMWKRCOIKNCXCU-INIZCTEOSA-N 323.339 3.020 10 10 DGCE CCCN(CCC)c1ccc(CNCCCO)cc1OCC 211840459 KHMDKVJZIIHROQ-UHFFFAOYSA-N 308.466 3.184 10 10 DGCE CC[C@H](C)NCc1ccc(N2CCOCC2)c(OC(C)C)c1 212147714 VLZNDUFSYFADDV-HNNXBMFYSA-N 306.450 3.199 10 10 DGCE Cc1occc1CN(C)c1ccc(CN)c(Br)c1 228149246 BBTBLGJPKFWOFZ-UHFFFAOYSA-N 309.207 3.446 10 10 DGCE CCN(CC)c1ccc(CN(C)[C@H]2CC[C@H](O)CC2)cc1F 275907636 DXOFVRUFHFIYLC-WKILWMFISA-N 308.441 3.407 10 10 DGCE C[C@H](C1CC1)N(Cc1ccccc1)C(=O)COc1ccc(N)cc1 301182084 AULSSYWSWUZWSV-OAHLLOKOSA-N 324.424 3.475 10 10 DGCE Nc1ccc(CCN2CCCN(Cc3ccccc3)CC2)cc1 323503678 GESFSPJAKWWWPU-UHFFFAOYSA-N 309.457 3.019 10 10 DGCE C[C@@H](COCc1ccccc1)NCc1ccc2c(c1)CCN2C 390591711 QAVAAYNDIDRVOP-INIZCTEOSA-N 310.441 3.374 10 10 DGCE CCO[C@H]1CCN(c2ccc([C@H](C)N)cc2Br)C1 701698582 AJIWMQOTLBJGBP-JQWIXIFHSA-N 313.239 3.084 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@@]12CCCN(CC1)C2 714949334 OTWAHMNYPUDLMQ-AWEZNQCLSA-N 301.217 3.027 10 10 DGCE COc1cc(Cl)cc(CNC2(CCO)CCCCC2)c1O 761216898 ZLCYTXIWDZFYSG-UHFFFAOYSA-N 313.825 3.229 10 10 DGCE Oc1cc2c(cc1CN1CCC[C@@H](OCC3CC3)C1)CCC2 777556237 SMKZWMAMFCKBCT-GOSISDBHSA-N 301.430 3.272 10 10 DGCE CCOC[C@H](C)NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C 779672753 AYHPFQDJFGAUHT-HNNXBMFYSA-N 321.465 3.098 10 10 DGCE C[C@H](NC(=O)c1c(F)ccc(O)c1O)c1ccc(Cl)s1 789953229 PUTWBDMSYMKGQM-LURJTMIESA-N 315.753 3.443 10 10 DGCE Cc1cc(F)ccc1CN(C)Cc1cc2c(cc1O)OCO2 792707522 OXLCPGGDIHFSSM-UHFFFAOYSA-N 303.333 3.200 10 10 DGCE Cc1c(C)n(C)c2ccc(OC(=O)c3cn(CC4CC4)nn3)cc12 817762123 PWYXLEIVTRKDTD-UHFFFAOYSA-N 324.384 3.016 10 10 DGCE CN(C)c1ccc([C@@H](N)CN[C@H]2CCCc3ccccc3C2)cc1 817944200 YCPSLDQOALGBIK-FPOVZHCZSA-N 323.484 3.290 10 10 DGCE C[C@H](N[C@H]1CC12CC2)c1cc(Br)cc(F)c1O 818355894 KYMRFEMVHOXJFZ-CPCISQLKSA-N 300.171 3.497 10 10 DGCE Cc1ccc(O)c(CN2C[C@H](C)O[C@H](CC(F)(F)F)C2)c1 827789907 YGIPTIKLOVYKJF-WCQYABFASA-N 303.324 3.242 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)CC(F)(F)F)c1 837486353 XHFFDQGWDAQOJT-RKDXNWHRSA-N 305.296 3.167 10 10 DGCE CCCN(CCC)c1ccc(CN2CC[C@H](C(=O)O)C2)cc1 840995480 PMMRSUCWJBGLKQ-INIZCTEOSA-N 304.434 3.220 10 10 DGCE NCc1ccc2c(c1)CCCN2Cc1ccnn1-c1ccccc1 843058146 MFGHCHYIFRICDA-UHFFFAOYSA-N 318.424 3.284 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1CCNC12CCCC2 843129038 PLZRMTAJLUXMBN-CYBMUJFWSA-N 315.244 3.463 10 10 DGCE COc1ncncc1CN1CCCc2cc(OC(F)F)ccc21 843402271 FIBVKALZNUKCAZ-UHFFFAOYSA-N 321.327 3.039 10 10 DGCE COc1ccc(N(C)CC(=O)N[C@@H](C)c2ccc(F)cc2)cc1 844353129 HQRXSCLAVIEVDS-ZDUSSCGKSA-N 316.376 3.148 10 10 DGCE C[C@]1(CCNCc2cc([N+](=O)[O-])ccc2O)C[C@@]1(F)Cl 846039117 UEZFOZWJTKXTKQ-STQMWFEESA-N 302.733 3.095 10 10 DGCE C[C@H]1CN(C(=O)c2cccc(O)c2O)CCc2ccc(F)cc21 846618330 WIPPESFIGSVDIY-NSHDSACASA-N 315.344 3.039 10 10 DGCE Cc1cc(C(=O)NCC2CSC2)c(C)n1-c1ccc(F)cc1 854873943 OAJAKAZQFLCNJH-UHFFFAOYSA-N 318.417 3.326 10 10 DGCE C[C@H](NS(=O)(=O)CCC(C)(C)C1CC1)c1ccccc1O 919120057 VCBUKKTUMNFYFD-LBPRGKRZSA-N 311.447 3.199 10 10 DGCE COC(=O)/C=C\c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 931260813 CXSBTWOCNYSWCO-VFFGBVLKSA-N 304.346 3.017 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)c1cccc(Cl)c1O 1126004986 UJUFFDKXTHHYHH-UHFFFAOYSA-N 318.804 3.350 10 10 DGCE Cc1cn(C)nc1CN1CCCc2cc(OC(F)F)ccc21 1307537460 WAPVPTAUSSOKEY-UHFFFAOYSA-N 307.344 3.283 10 10 DGCE Cc1noc(NC(=O)c2ccc(C3=S=CC=C3)s2)c1C 1324757664 MLMLGYWQVVGUCJ-UHFFFAOYSA-N 304.396 3.231 10 10 DGCE Cc1cc(=NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)cc[nH]1 1521203112 OURHDDGUIYSCSV-UHFFFAOYSA-N 319.408 3.401 10 10 DGCE Cn1cnc(/C=C/C(=O)N2CCCCc3cc(Cl)ccc32)c1 1529003164 IYFNEZHEIHRCHI-SOFGYWHQSA-N 315.804 3.456 10 10 DGCE CCN(C(=O)/C=C\c1cn(C)cn1)c1ccc(Cl)cc1F 1539878838 FGVAGOSMDOOCGY-ALCCZGGFSA-N 307.756 3.279 10 10 DGCE O=C(c1cccc(O)c1O)N1CCS[C@@H](c2ccccc2)C1 1628636743 YYQCTVRWLJQULP-OAHLLOKOSA-N 315.394 3.028 10 10 DGCE Cc1ccc([C@@H](C)C(=O)NCc2ccc3cccnc3c2O)o1 1639621842 WABQGXCDSTWBBK-GFCCVEGCSA-N 310.353 3.262 10 10 DGCE CC[C@H](C)N1C(=O)/C(=C\c2ccc(O)c(OC)c2)SC1=S 1858587790 BGIWYTCZJAVBNY-ITTMYVLYSA-N 323.439 3.401 10 10 DGCE CCCC1=NN(CCC)C(=O)/C1=C/c1ccc(C(=O)OC)cc1 1865675634 SATHDAOFWJPBFN-NTCAYCPXSA-N 314.385 3.265 10 10 DGCE CO[C@@H]1CCN(Cc2c(O)cccc2Br)C1(C)C 1914336113 ZXIGLOUZZNJLJX-CYBMUJFWSA-N 314.223 3.154 10 10 DGCE CN[C@H](C)c1ccc(N(Cc2ccccc2)C[C@@H](C)O)c(F)c1 1914617140 IAWGXPHNFZHTDL-HUUCEWRRSA-N 316.420 3.494 10 10 DGCE Cc1cc(C=CC(=O)O)ccc1N(Cc1ccccc1)C1COC1 1915726464 ZYRZJWANOHGPRF-UHFFFAOYSA-N 323.392 3.498 10 10 DGCE C[C@H]1CCN(c2ccc(CN)cc2Br)C[C@@H]1F 1946916168 AFNRHOOXOANLQY-CABZTGNLSA-N 301.203 3.092 10 10 DGCE CC(C)(C)OC(=O)NCC1(NCc2c(O)cccc2F)CCC1 1976861391 VSGILHXSJCBOKY-UHFFFAOYSA-N 324.396 3.068 10 10 DGCE NCc1ccc(N2CC3(CC(OCc4ccccc4)C3)C2)cc1 1978834341 OUYYEJRDYLVXNS-UHFFFAOYSA-N 308.425 3.331 10 10 DGCE Cc1cc(N2C[C@H]3C[C@H]2CN(Cc2ccccc2)C3)ccc1CN 1997909066 WJQCNQZJUCRCQE-RXVVDRJESA-N 321.468 3.164 10 10 DGCE Oc1c(F)cc(Br)cc1CN[C@H](C(F)F)C1CC1 2029900308 XXIIKMZKEUHQBD-JTQLQIEISA-N 324.140 3.427 10 10 DGCE C[C@@H]1CCN(c2cc(Br)c(CN)cc2F)C[C@H]1F 2034816680 VQQLUPPBVLFELZ-PRHODGIISA-N 319.193 3.231 10 10 DGCE C[C@@H](c1ccccc1O)N(C)c1cnc(Br)cn1 2072468079 ZTUSQHIMBZBYJI-VIFPVBQESA-N 308.179 3.142 10 10 DGCE CN(Cc1ccc(N)cc1)Cc1cc(Br)ccc1O 2092475881 RGEPPFULVNSTRD-UHFFFAOYSA-N 321.218 3.369 10 10 DGCE O=C(O)c1cc(C(F)(F)F)cnc1Sc1nccs1 2101010574 SEABJIVBXBLCNT-UHFFFAOYSA-N 306.290 3.406 10 10 DGCE CP(C)(=O)[C@H]1CCCN(c2ccc(CO)cc2Cl)C1 2103080417 WYSMLHWYCCFAQY-LBPRGKRZSA-N 301.754 3.424 10 10 DGCE Oc1ccc(CCNCc2c(Cl)cncc2Cl)cc1O 2149786526 IRRGNZDVGAEFJA-UHFFFAOYSA-N 313.184 3.132 10 10 DGCE C[C@H]1CCO[C@@H]1CCN(C)c1cc(Cl)c(CN)cc1F 2177388200 OHXTVDJHMXOCPC-ZUZCIYMTSA-N 300.805 3.189 10 10 DGCE Cc1ccc(Br)c(C(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])n1 2225797780 GYGFPICIQHTPTI-VHSXEESVSA-N 324.182 3.114 10 10 DGCE Cc1cc(N2CC3(CN(Cc4ccccc4)C3)C2)ccc1[C@@H](C)O 2248960901 HEJXWDORWSCYFL-QGZVFWFLSA-N 322.452 3.371 10 10 DGCE CO[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2Nc1c(N)cccc1Br 2308687264 CELCSYKLALKFHX-WTTBSCSTSA-N 311.223 3.257 10 10 DGCE Oc1cc(Br)ccc1CNC[C@@H]1C[C@@H]2C=C[C@H]1C2 2309756764 RJCNOABWHOAJOA-MDZLAQPJSA-N 308.219 3.457 10 10 DGCE CCC[C@H](O)CN(C)Cc1ccc(C)c(Br)c1O 2327605847 JPMJGPVZLCOYHF-LBPRGKRZSA-N 316.239 3.056 10 10 DGCE Cc1ccc(CN[C@H]2C(F)(F)C23CC3)c(O)c1Br 2327612107 IWOLRHDCKLXAPQ-LLVKDONJSA-N 318.161 3.350 10 10 DGCE N[C@@H](Cc1ccc(O)c(O)c1)c1nc2cc(F)ccc2s1 40225922 NAVOWDNHYVBLOU-JTQLQIEISA-N 304.346 3.089 10 10 DGCE Cc1ccc([S@@](=O)CCCOc2ccc(N)cc2)c(C)c1 40962790 LOBYGEMUVRNIQS-OAQYLSRUSA-N 303.427 3.462 10 10 DGCE CCOc1ccc2c(ccc(=O)n2CCOc2ccc(N)cc2)c1 75282532 KWHPRAIYXGAIFP-UHFFFAOYSA-N 324.380 3.061 10 10 DGCE CC(C)c1ccc(C(=O)NCCc2ccc(O)c(O)c2)s1 184053836 ORQVVECTNADLOX-UHFFFAOYSA-N 305.399 3.255 10 10 DGCE COc1ccc(N2CCN(C(=O)[C@H](C)CC(C)C)CC2)cc1 185008023 QHNXPYGSVYCJFT-OAHLLOKOSA-N 304.434 3.026 10 10 DGCE CCOc1ccc(O)c(CNC[C@H]2CCO[C@@H]2C(C)(C)C)c1 189237501 GLWFNYACPTWCGS-DYVFJYSZSA-N 307.434 3.332 10 10 DGCE Cc1cccc(O)c1NC1=NC(=O)/C(=C\c2cccnc2)S1 208333114 SPKNVNDRALMJIT-MDWZMJQESA-N 311.366 3.178 10 10 DGCE Cc1cncc(/C=C\C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 255587683 BKFLKWIAAFRSRK-YFHOEESVSA-N 309.413 3.128 10 10 DGCE C[C@H](N[C@@H]1CCOC2(CCSCC2)C1)c1ccccc1O 272887878 RYVPSUZNBQHTEJ-UONOGXRCSA-N 307.459 3.488 10 10 DGCE COCC[C@@H](COC)N[C@@H](C)c1ccc2ccccc2c1O 320464331 KYOBWCWMWXPWHQ-ZFWWWQNUSA-N 303.402 3.248 10 10 DGCE NCCc1ccccc1C(=O)N1CC2(CCC2)c2c(F)cccc21 581258075 ORTBSZBOYGZWNG-UHFFFAOYSA-N 324.399 3.409 10 10 DGCE CC(C)N(C[C@@H](C)O)c1ccc([C@@H](C)N)cc1Br 691375355 OORNURSIWWIURR-GHMZBOCLSA-N 315.255 3.064 10 10 DGCE C[C@H](CNCc1ccc(Br)cc1O)C(F)(F)F 691455383 OQKLSFMLEFXNGM-SSDOTTSWSA-N 312.129 3.443 10 10 DGCE COc1cc(Cl)cc(CN[C@@H]2C[C@H]3[C@@H](C2)C3(F)F)c1O 693350045 UUMVIMHDAACCND-JGPRNRPPSA-N 303.736 3.188 10 10 DGCE C[C@H](c1cc(Br)ccc1O)N1[C@H]2CC[C@H]1COC2 695063037 FQBBHRMDGYFFQK-USWWRNFRSA-N 312.207 3.079 10 10 DGCE CNC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2Cl)C1 699638640 GUNMNTLQAYFFKV-SECBINFHSA-N 308.731 3.284 10 10 DGCE CCC[C@H](C)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 773145664 KWLFETKJZKOCNO-KRWDZBQOSA-N 315.505 3.497 10 10 DGCE Cc1cc(NCc2ccc(N(C)C)c(F)c2)cc(OCCO)c1 775032551 IWLJMTRBPSZBLR-UHFFFAOYSA-N 318.392 3.183 10 10 DGCE CCOc1cccc(CN(CCOC)[C@@H]2C[C@H]3CC[C@H]2C3)c1O 775207359 VACQZKFZQZXUHM-YQQAZPJKSA-N 319.445 3.428 10 10 DGCE Oc1ccc(Cl)c(F)c1CN1CCC[C@H]([C@@H]2CCOC2)C1 792173042 QBQPEJFGGMEXQI-NWDGAFQWSA-N 313.800 3.433 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[C@H]1C 807557093 UVMHLCJIFOEYDX-PBHICJAKSA-N 303.450 3.471 10 10 DGCE Cc1c(C(=O)NCc2cc(Cl)cc(Cl)c2O)ccn1C 807839243 AOTNWPNCGXGLIF-UHFFFAOYSA-N 313.184 3.276 10 10 DGCE Cc1ccccc1-n1c(C)cc(C(=O)N2[C@H]3COC[C@H]2C3)c1C 808049740 BZAOJVKKJSNKOD-HZPDHXFCSA-N 310.397 3.016 10 10 DGCE CCOc1cccc(CNC[C@@H]2CCO[C@@H](C(C)C)C2)c1O 824799157 LCNIYEJASOSYRM-RHSMWYFYSA-N 307.434 3.332 10 10 DGCE COC(=O)c1cnc(SC[C@@H](O)c2cc(C)cc(C)c2)s1 834382565 NUQZQNJIWXTYNF-GFCCVEGCSA-N 323.439 3.372 10 10 DGCE CN(C)c1ccc(/C=C/CNCc2cnc3n2CCCC3)cc1 835050559 UROSKQUPMPKQDJ-AATRIKPKSA-N 310.445 3.088 10 10 DGCE CC[C@@H](CC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)C(C)C 855228854 FJCKYHYECBOXCW-JKSUJKDBSA-N 318.461 3.462 10 10 DGCE Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C3)C2)c(C)n1-c1ccccn1 856236068 URTGWAIGTJJKSD-HOTGVXAUSA-N 309.413 3.361 10 10 DGCE CCN(C)c1ccc([C@@H](C)N[C@@H]2CC=C(C(=O)OC)C2)cc1 858471953 FKOCRIVBTIIVFQ-CZUORRHYSA-N 302.418 3.055 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)c2ccc(C(F)F)o2)c1 860242698 TVZUTMCDWQWCIZ-QMMMGPOBSA-N 311.284 3.422 10 10 DGCE Cc1cccc2c1C[C@H](NCc1cccc(Cl)c1O)CO2 862441533 VYYJAOKQDNJAJC-ZDUSSCGKSA-N 303.789 3.447 10 10 DGCE C[C@H](N[C@H]1CC[C@@H](C)NC1)c1ccc(N2CCCCC2)cc1 863545397 QRLUIVGEWXFPEZ-RYRKJORJSA-N 301.478 3.468 10 10 DGCE CC/C=C(/F)C(=O)NCc1cc(Br)ccc1O 868307266 VUVASZRUHFRHCS-XCVCLJGOSA-N 302.143 3.034 10 10 DGCE Cc1ccc(OCCC(=O)N2Cc3cccc(O)c3C2)c(C)c1 871198664 MOSCDZIREDQQHS-UHFFFAOYSA-N 311.381 3.320 10 10 DGCE COc1ccc([C@H](C)NCc2cc([N+](=O)[O-])ccc2O)cc1C 922671911 IVFQHABIMSFSSA-LBPRGKRZSA-N 316.357 3.468 10 10 DGCE CCc1noc([C@@H]2CC[C@@H](N[C@H](C)c3cc(F)ccc3O)C2)n1 927046738 BJYKZSYCEGCEQA-NQBHXWOUSA-N 319.380 3.464 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1cnc2n1CCCC2 1157041525 IHMXOQYJLRMHBA-UHFFFAOYSA-N 321.380 3.008 10 10 DGCE CCOc1cc(NCc2c(O)cccc2F)ccc1[N+](=O)[O-] 1164186081 YZLNQAYOTSOUFB-UHFFFAOYSA-N 306.293 3.450 10 10 DGCE O=C(NCc1ccc(O)cc1O)c1ccc(Cl)c2occc12 1299574545 RQAIRVJWFODXJA-UHFFFAOYSA-N 317.728 3.427 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)[C@@H]1CC[C@@H]2[C@@H](C1)C2(F)F 1328482739 QVMGAAXULBNMTG-GGZOMVNGSA-N 315.747 3.343 10 10 DGCE Cc1cc(C(=O)N(C)Cc2ccccc2O)ccc1-n1cccn1 1465843287 YJQNKJMRXNYYIY-UHFFFAOYSA-N 321.380 3.159 10 10 DGCE CCN(CC)c1ccc(CNC(=O)C2(N(C)C)CCCC2)cc1 1544580758 SCGJVDHGSNNBKC-UHFFFAOYSA-N 317.477 3.023 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N1CC2(CCCC2)c2ccccc21 1545275443 KIDNLORHJSRAJY-UHFFFAOYSA-N 323.392 3.499 10 10 DGCE COc1cc(Cl)c(F)c(C(=O)N2Cc3cccc(O)c3C2)c1 1587928059 IBWYCBZXBWTERD-UHFFFAOYSA-N 321.735 3.349 10 10 DGCE Cc1ccc2oc(CNC(=O)/C=C/c3ccc(O)c(O)c3)cc2c1 1629448071 IBYPJIVRQMWOJC-QPJJXVBHSA-N 323.348 3.482 10 10 DGCE O=C(NCc1cccc(O)c1O)c1cccc(Cl)c1Cl 1637036015 ZQUADQXSPAQDRY-UHFFFAOYSA-N 312.152 3.335 10 10 DGCE CN(C(=O)/C=C\c1ccc(O)c(O)c1)c1cccc2cc[nH]c12 1642383396 QPIPCZMRVWFNMD-VURMDHGXSA-N 308.337 3.255 10 10 DGCE CCCN1N=C(c2ccc(OC)cc2)/C(=C\c2cccn2C)C1=O 1865670537 FEFURQVBHUNQDF-GHRIWEEISA-N 323.396 3.074 10 10 DGCE Oc1c(Br)cc(Cl)cc1CNC[C@@H]1C[C@@H]1F 1896351079 IFRSRAPNBRQDKS-WKEGUHRASA-N 308.578 3.256 10 10 DGCE [N-]=[N+]=NC[C@H]1CCN(C(=O)c2ccccc2Br)C1 1912189332 UDJVMWFQIILOSJ-SECBINFHSA-N 309.167 3.222 10 10 DGCE Cc1cc(CO)ccc1N(Cc1ccccc1)C1(CO)CCC1 1915648659 ONUVKKIJIKHFIB-UHFFFAOYSA-N 311.425 3.409 10 10 DGCE CN(Cc1cc(Cl)cc(Cl)c1O)C(C)(C)CC(=O)O 1926882722 UHADVBXWYHIWPU-UHFFFAOYSA-N 306.189 3.384 10 10 DGCE CC(C)(C)OC(=O)N(CC1CC1)C[C@@H](N)c1ccccc1O 1928469582 JNGMENRFALQLSG-CQSZACIVSA-N 306.406 3.039 10 10 DGCE C[C@H](NCc1ccc(Br)cc1O)[C@H]1CC1(F)F 1942441687 QMEIGTCDQHUOIP-OIBJUYFYSA-N 306.150 3.288 10 10 DGCE CC(C)(C)OC(=O)N[C@]1(c2cccc(N)c2O)CC=CCC1 1953058001 GPKNVQMFEQWCAY-QGZVFWFLSA-N 304.390 3.435 10 10 DGCE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1c1ccc(N)cc1O 1953064125 PLASSSWVCNFONQ-NSHDSACASA-N 314.332 3.292 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H]1CN(CCN=[N+]=[N-])C1CC1 1962302586 ALOVJVAEYPFDPZ-CYBMUJFWSA-N 309.414 3.161 10 10 DGCE COc1ccc(Br)c(CN[C@H](C)C2(F)CC2)c1O 1971988782 RMFGSAYBNKTOIK-MRVPVSSYSA-N 318.186 3.144 10 10 DGCE C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CCN1c1ccc(N)cc1 1977967985 LZCOLMVJTFFNIU-KBPBESRZSA-N 319.449 3.398 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1N[C@H]1CCc2cccc(O)c21 1986712946 OYIWFQGSNCXAPF-MJBXVCDLSA-N 318.417 3.025 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H](Oc2ccc(N)cc2)C2(CC2)C1 1992448197 ZNBWXHIBNNPWKB-OAHLLOKOSA-N 318.417 3.437 10 10 DGCE CC[C@H](C(F)F)N(C)c1ccc(CO)cc1Br 2009023465 UKIONHITLKSQPO-SNVBAGLBSA-N 308.166 3.421 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN(C[C@]2(Br)CC2(F)F)C1 2023773968 IHQVZQUTRJOBHZ-DTWKUNHWSA-N 309.158 3.181 10 10 DGCE CO[C@H]1CCCN(Cc2ccc(Br)cc2O)[C@@H]1C 2037811584 HWYMMJJOQMYJMX-YGRLFVJLSA-N 314.223 3.154 10 10 DGCE CC[C@]1(C)C[C@H](NCc2ccc(Br)cc2O)CO1 2069118622 UXICESMJLNPIAI-GXTWGEPZSA-N 314.223 3.202 10 10 DGCE OC[C@@]12CC[C@@H](C[C@@H]1NCc1cc(Cl)cc(Cl)c1O)C2 2161038365 XUBBTNHDARDLAX-FGEZKYSXSA-N 316.228 3.340 10 10 DGCE NC[C@@H]1C[C@@H]2CCC[C@@H]2N1Cc1cc(Cl)cc(Cl)c1O 2164803223 KZLMOJVSLPVFAC-WFBYXXMGSA-N 315.244 3.401 10 10 DGCE C[C@H](N)c1ccc(N2CC(O)(c3cccs3)C2)cc1Cl 2193356434 WIRJQCRGDNUNIS-JTQLQIEISA-N 308.834 3.129 10 10 DGCE C[C@@H](N)c1ccc(N2CC(O)(c3ccsc3)C2)cc1Cl 2193362643 LHDAXALGZWHUPX-SNVBAGLBSA-N 308.834 3.129 10 10 DGCE C[C@H](c1ccc(Cl)cc1O)N(C)[C@@H]1COCCC1(F)F 2203345451 FVRQOHALKVWALX-NOZJJQNGSA-N 305.752 3.463 10 10 DGCE Cc1ccc(Br)c([C@@H](O)[C@H](N)c2ccccc2O)c1 2228071521 CHHDPYDVLNQDME-HUUCEWRRSA-N 322.202 3.197 10 10 DGCE NCc1ccc(N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@H]3C2)cc1Br 2264894220 HIOGGNPVNQIHQI-AGCIHXOGSA-N 321.262 3.390 10 10 DGCE CN(c1cc(Br)c(CN)cc1F)[C@H]1CC[C@@H]2C[C@H]12 2309075142 WPSBSIVLCNKRJS-DVYJOKAKSA-N 313.214 3.282 10 10 DGCE Cc1ccc(CNC(=O)C2(C)CC=CC2)c(O)c1Br 2352644092 WMLYFNPOLARSFC-UHFFFAOYSA-N 324.218 3.436 10 10 DGCE CN(C)c1ccncc1NCc1cccc(Br)c1O 48795871 BMIKLQMYELGHLM-UHFFFAOYSA-N 322.206 3.228 10 10 DGCE C[C@@H](NCC1(C2CC2)CC1)c1ccc(N2CCOCC2)cc1 90772652 LGTCWMRIWCWHBC-OAHLLOKOSA-N 300.446 3.364 10 10 DGCE COc1ccc(CN2CCC[C@@H](Nc3ccccc3)C2)c(O)c1 93704478 FFLVGEUGDARSQJ-QGZVFWFLSA-N 312.413 3.477 10 10 DGCE C[C@H](N)c1ccc(N2CC[C@@]3(O)CCCC[C@@H]3C2)c(Cl)c1 160492440 QCYSPHKLACSKSJ-QEORTHHSSA-N 308.853 3.491 10 10 DGCE CC(C)COCCCN[C@@H](C)c1ccc(N2CCOCC2)cc1 163281052 NIHLRHDYONQWMN-KRWDZBQOSA-N 320.477 3.237 10 10 DGCE Cc1ccc(C(=O)N[C@H](C)c2ccc(F)c(F)c2)c(O)c1O 177659922 UKIPDOZIUYUWLF-SECBINFHSA-N 307.296 3.175 10 10 DGCE CC[C@@H](NCc1ccccc1OCCO)c1ccccc1O 185212333 TWYSYTMSKBQPBO-MRXNPFEDSA-N 301.386 3.004 10 10 DGCE CC(=O)N(C(=S)N1[C@H](C)CCC[C@H]1C)c1ccc(N)cc1 243320013 LMSZDUDWBSBJEX-VXGBXAGGSA-N 305.447 3.170 10 10 DGCE Cc1ccnc(N=c2scc(-c3ccc(O)c(O)c3)n2C)c1 254396272 NORDNKWMEQTVKE-UHFFFAOYSA-N 313.382 3.101 10 10 DGCE C[C@@H](NCc1cc(Cl)c(F)cc1O)[C@H](O)c1ccccc1 293966677 QHRIYNIWLGROMM-HWPZZCPQSA-N 309.768 3.396 10 10 DGCE OC[C@@H]1CCC[C@@H](NCc2cc(Cl)cc(Cl)c2O)C1 311513064 RVXNAIPFRLKJDZ-BXKDBHETSA-N 304.217 3.340 10 10 DGCE C[C@@H](N[C@H]1CCNC12CCC2)c1cccc(C(F)(F)F)c1O 530214784 CTNPSOOFVSPQJI-MFKMUULPSA-N 314.351 3.346 10 10 DGCE Oc1ccc(CNc2cc(Cl)cc(F)c2F)c(O)c1O 691016872 QVKZLXUYHRFXKZ-UHFFFAOYSA-N 301.676 3.347 10 10 DGCE CC1(C)OCC[C@H]1CNCc1ccc(Br)cc1O 693067613 XGBBAKLZJBWKRZ-NSHDSACASA-N 314.223 3.059 10 10 DGCE CCC1(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)CC1 710214913 QETDAHDYSZFZGT-UHFFFAOYSA-N 310.202 3.383 10 10 DGCE Oc1cccc2c1[C@@H](NCC1CN(Cc3ccccc3)C1)CC2 716268961 IPQAGEDITZNVEB-SFHVURJKSA-N 308.425 3.101 10 10 DGCE COC(=O)c1ccc(O)c([C@@H](C)N[C@H](C)c2nc(C)cs2)c1 756533757 IBQFUOSITGUTAB-GHMZBOCLSA-N 320.414 3.356 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)C(C)(C)CCC(C)=O 764896317 XQTJIKKUXBMJJZ-UHFFFAOYSA-N 318.461 3.497 10 10 DGCE Cc1ccc(CCC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)o1 773021109 YFONQNZSHASRRG-AWEZNQCLSA-N 300.402 3.464 10 10 DGCE COc1ccc(N(CCC(C)C)C[C@H](O)C(F)(F)F)cc1 796502093 AXXKRHPEWCIQEG-AWEZNQCLSA-N 305.340 3.471 10 10 DGCE CN(C)c1ccc(CN2CCCC[C@H]2c2ccnn2C)cc1F 798960528 HVSQOGQMBGKVBB-SFHVURJKSA-N 316.424 3.352 10 10 DGCE CCN1CC[C@@H](N(C)Cc2ccc(N(C)C)c(C)c2)[C@H](C)C1 815070936 APJVSZIONUVRRC-VQIMIIECSA-N 303.494 3.223 10 10 DGCE C[C@H](N[C@H]1CCNC[C@H]1C)c1ccc(N2CCCCC2)cc1 817971195 KKEHYUWFIWEFMY-GJYPPUQNSA-N 301.478 3.326 10 10 DGCE CCN(CC)c1ccc(CNCc2noc(C3CC3)n2)cc1F 824321001 NTZUBELXNKYJMS-UHFFFAOYSA-N 318.396 3.222 10 10 DGCE CC[C@@H]1C[C@@H](NCc2cc(Br)ccc2O)CCO1 824376769 NUOQWSHYYPAAKX-QWHCGFSZSA-N 314.223 3.202 10 10 DGCE O[C@@]1(C2CC2)CCCN(Cc2ccc(N3CCCCC3)cc2)C1 827151920 NGICXRWTBQHBGI-FQEVSTJZSA-N 314.473 3.414 10 10 DGCE C[C@H](N[C@H]1CCc2cccc(O)c21)c1ccc(-n2ccnn2)cc1 834694168 UWEFRJLHFYNUPF-GUYCJALGSA-N 320.396 3.311 10 10 DGCE CO[C@@H]1[C@H]2C[C@@H]3CN(C/C=C\c4ccc(N(C)C)cc4)[C@H]1[C@H]3C2 835053130 SVMHQLDIRDEQFM-IPHFWSDRSA-N 312.457 3.121 10 10 DGCE O=C(NCc1ccccc1O)NCC(C1CCC1)C1CCC1 858672158 ZYUPUWZQVUPAPI-UHFFFAOYSA-N 302.418 3.408 10 10 DGCE C[C@@H](NCC[C@H](O)C(F)F)c1cc(Cl)c(Cl)cc1O 866442676 QKJZWDRGRRXDRU-LDWIPMOCSA-N 314.159 3.366 10 10 DGCE CCc1cccc(CN2CC[C@@](OC)(C(F)(F)F)C2)c1O 895572199 BYSYYUIPSOEWPB-AWEZNQCLSA-N 303.324 3.108 10 10 DGCE CCCC[C@H](COC)NC(=O)c1cc2cc(O)c(O)cc2s1 896454334 QCNNHSVDTWWWIJ-LLVKDONJSA-N 323.414 3.248 10 10 DGCE COc1ccc(CN[C@@H](CCN(C)C)c2cccnc2)cc1C 922632801 WCUUJOPIIIEUDC-SFHVURJKSA-N 313.445 3.181 10 10 DGCE CC[C@H](NCC[C@@H](N(C)C)C(F)(F)F)c1ccccc1O 926966215 ZFLKBVJPDDOCPS-GXTWGEPZSA-N 304.356 3.316 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)NCc2cccnc2O)cc1 1132056429 PANJKZIQNWMNBS-UHFFFAOYSA-N 321.380 3.125 10 10 DGCE CCC/C(C)=C/C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 1134882831 VICJRMKBWVZKRP-FDPSAONLSA-N 317.477 3.218 10 10 DGCE O=C(Nc1ccnn1-c1ccc(F)cc1)c1cc(O)cs1 1152151832 SMWOURITPAXMMI-UHFFFAOYSA-N 303.318 3.031 10 10 DGCE CSc1cc(F)ccc1NC(=O)Cc1ccc(O)c(O)c1 1162985189 ZJXWCHNNSFLFSO-UHFFFAOYSA-N 307.346 3.140 10 10 DGCE COc1ccc(CNC(=O)N[C@@H](C)[C@@H]2CCC[C@H](C)C2)c(O)c1 1312874548 UABUTYXTCCNAHD-MELADBBJSA-N 320.433 3.415 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N(CC1CCC1)c1ccccc1 1445217212 DHVJIFFDOGTQMZ-UHFFFAOYSA-N 311.381 3.474 10 10 DGCE COc1ccc2c(c1)c1c(n2CC(=O)N[C@H]2C=CCC2)CCCC1 1527939919 JFIUKIBUFXENKT-AWEZNQCLSA-N 324.424 3.364 10 10 DGCE Cc1ccc(O)c(CNC(=O)NCc2c(F)cc(F)cc2F)c1 1565322517 HIRXVGRPTIGBNQ-UHFFFAOYSA-N 324.302 3.117 10 10 DGCE CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc(O)c(O)c1 1595332134 AKJXNWFPOYOGMX-ZIAGYGMSSA-N 305.418 3.361 10 10 DGCE O=C(NCc1ccccc1O)c1ccc(OC(F)F)cc1F 1595800186 RXTZOZYRDDYQAK-UHFFFAOYSA-N 311.259 3.063 10 10 DGCE Cc1cc(C(=O)N[C@@H](C)c2ccccc2O)nn1-c1ccccc1 1642827226 CMRHKBONPVWCIE-AWEZNQCLSA-N 321.380 3.377 10 10 DGCE CCC(CC)(C(=O)NCc1cc(O)ccc1O)c1ccccc1 1643882295 SNOUEYTWDQBGLV-UHFFFAOYSA-N 313.397 3.472 10 10 DGCE CC(C)Oc1ccc(N(C)Cc2nc(CC3CC3)no2)cc1 1645278212 HZAVREKNYSDRDW-UHFFFAOYSA-N 301.390 3.446 10 10 DGCE CC[C@H](CNC(=O)[C@@H](C)C(C)C)NCc1ccc(OC)c(C)c1 1715073264 HWOJJAZMFPACSQ-DOTOQJQBSA-N 320.477 3.280 10 10 DGCE COc1cccc([C@@H](CO)N=[N+]=[N-])c1NC(=O)OC(C)(C)C 1951354556 MMXCYCITISIKFW-SNVBAGLBSA-N 308.338 3.386 10 10 DGCE COc1ccc(Br)c(CN[C@@H]2CC[C@@H]2C)c1O 1964061768 KBVUJXBVBLDYQP-GZMMTYOYSA-N 300.196 3.051 10 10 DGCE Oc1c(Br)cccc1CNC[C@H]1C(F)(F)C12CC2 1974194921 BBLAZPHQWIHQFB-SNVBAGLBSA-N 318.161 3.290 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H]([C@H](N)c2ccccc2O)C12CC2 1977088436 NQCVUTYUAYAFIG-UKRRQHHQSA-N 318.417 3.182 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1Cc1ccc(N)cc1 1977926709 OIMMVARTYAFILK-ZIAGYGMSSA-N 319.449 3.099 10 10 DGCE CCO[C@@H](CNCc1cc(Br)ccc1O)C(C)C 2068091412 YNTUHQUUSYDDHH-AWEZNQCLSA-N 316.239 3.305 10 10 DGCE CCc1nn([C@@H](c2ccc(C)cc2O)C2CCC2)c(N)c1C=O 2079127878 WBSYCCOMMBMUJL-QGZVFWFLSA-N 313.401 3.244 10 10 DGCE C[C@@H](c1ccccc1O)N(C)CCn1cc(Br)cn1 2087055007 XDKFBNQVGKTBSJ-NSHDSACASA-N 324.222 3.044 10 10 DGCE CCNCc1ccc(N2C[C@H]3C[C@H]2[C@H]2C[C@H]32)cc1Br 2103270785 KNLDOWJCFYCFAQ-UYHMYPTGSA-N 321.262 3.403 10 10 DGCE NCc1ccc(N2CC[C@H](c3ccco3)C2)cc1Br 2114241993 JFFWVTISKHHQOX-LBPRGKRZSA-N 321.218 3.495 10 10 DGCE C[C@H](O)c1ccc(N2CC=CCC23COC3)cc1Br 2137002147 LMSLGNIKXCJIRF-NSHDSACASA-N 324.218 3.038 10 10 DGCE CCCN[C@@](CSc1nccs1)(CC(C)C)C(=O)O 2142866147 ZEZJAVQIHRGEIX-CYBMUJFWSA-N 302.465 3.104 10 10 DGCE COc1ccc(N(CCCN)CCSC(F)(F)F)cc1 2143727966 IICDVVPVLASMIQ-UHFFFAOYSA-N 308.369 3.103 10 10 DGCE CCCNCc1ccc(N2CC(CF)(OC)C2)c(Cl)c1 2168870134 OKBGCEXACVXUGO-UHFFFAOYSA-N 300.805 3.014 10 10 DGCE CC(C)(C)OC(=O)N1CCC=C[C@@]1(C)[C@@H](N)c1ccccc1O 2212448303 MDHFVURXBLACKQ-YJBOKZPZSA-N 318.417 3.348 10 10 DGCE COc1ccc(Br)c(CN[C@@]23CCC[C@H]2C3)c1O 2220462917 STHTVPGEQZFXGE-LKFCYVNXSA-N 312.207 3.196 10 10 DGCE COc1ccc(CNc2c(C)ccnc2Br)c(O)c1 2227171008 BZKULOUKUDCEKG-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE COc1ncc(CN(C)c2ccc([C@H](C)O)c(Cl)c2)s1 2239975262 GBRQPUIPFHQMLM-VIFPVBQESA-N 312.822 3.495 10 10 DGCE CO[C@@H](CSc1ncc(C[C@@H](C)N)s1)C1CCCC1 2268685956 ZKDAISZBOFMCER-MFKMUULPSA-N 300.493 3.330 10 10 DGCE COC(=O)c1cc(F)ccc1NCc1cnc(SC)s1 2284495916 AKFHXVXJKJNDNC-UHFFFAOYSA-N 312.391 3.403 10 10 DGCE CCN[C@@]1(C(=O)O)CCCC[C@H]1CCSc1nccs1 2288745328 QLLMBNCTONYLHM-FZMZJTMJSA-N 314.476 3.248 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)N1CCC[C@H]2CCCC[C@@H]21 2307987516 NRCLHUWCRNHVPV-CABCVRRESA-N 301.386 3.292 10 10 DGCE COc1cccc2c1N(C(=O)C=Cc1scnc1C)CCC2 2310087628 FNEFVDOLAJLAIC-UHFFFAOYSA-N 314.410 3.453 10 10 DGCE CCN1N=C(C)C(=Cc2cc(Br)ccc2F)C1=O 2332129754 KLKJTQSSGUUJGD-UHFFFAOYSA-N 311.154 3.210 10 10 DGCE CCCC[C@@](CC)(NCc1cnc(SC)s1)C(=O)O 2349500200 ITTSOHLDYVJVFJ-CYBMUJFWSA-N 302.465 3.378 10 10 DGCE Cn1c(-c2ccc(F)cc2)cnc1NCc1ccc(O)c(O)c1 6622379 ZEJIDKPTEFZHJU-UHFFFAOYSA-N 313.332 3.250 10 10 DGCE CCN1C(=O)/C(=C2\Sc3ccccc3N2C)SC1=S 28090365 BXNZOCAILBRXHJ-ZRDIBKRKSA-N 308.453 3.278 10 10 DGCE COC(=O)Cc1nc2cccc(C)n2c1/N=N\c1cccc(O)c1 71590854 IXVMNROPGGPLBH-VXPUYCOJSA-N 324.340 3.479 10 10 DGCE CN(C)c1cccc(NC(=O)c2ccc3nc(N)sc3c2)c1 71698360 GEQGDRYJHHRLFY-UHFFFAOYSA-N 312.398 3.197 10 10 DGCE CCn1c(C)cc(C(=O)CN(C)Cc2ccccc2O)c1C 111235716 QGQLVYRZSTVTJV-UHFFFAOYSA-N 300.402 3.145 10 10 DGCE CCCN(CCC)c1ccc(CNC2CCN(C)CC2)cc1 121189465 YBHNHTFTTQAYED-UHFFFAOYSA-N 303.494 3.497 10 10 DGCE CS[C@@H](C)CNCc1cc(Br)cc(C)c1O 133487566 RMHIRUDXZMUDLE-VIFPVBQESA-N 304.253 3.304 10 10 DGCE CCc1noc(C)c1NC(=O)N[C@@H](C)c1cc(OC)ccc1O 155637104 ZFVBOGFFTBVGSR-VIFPVBQESA-N 319.361 3.142 10 10 DGCE Cc1csc([C@H]2CN(Cc3cc(C)c(C)cc3O)CCO2)n1 156512130 HPCYKWPDXRKFPP-MRXNPFEDSA-N 318.442 3.347 10 10 DGCE Cc1nn(C)cc1C(=O)N(c1ccccc1)c1ccc(N)cc1 170224294 KTQSOWSFJCXJBR-UHFFFAOYSA-N 306.369 3.289 10 10 DGCE Cc1ccc(NC2=NC(=O)/C(=C\c3cccn3C)S2)c(O)c1 210383029 YQDFIYVDQMNBJO-NTEUORMPSA-N 313.382 3.122 10 10 DGCE CC[C@@H]1CCCCN1c1cc2c(cc1Cl)[C@@H](NC)C(=O)N2 221189989 UGJOYSYUFPNDAN-MEBBXXQBSA-N 307.825 3.322 10 10 DGCE C[C@H](N[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)c1ccccc1O 227629227 JDFIMCFMLJBJOD-CFVMTHIKSA-N 320.433 3.489 10 10 DGCE Nc1ccc(CN2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc1 380110494 ZIZUFFBOSZFCRK-UXHICEINSA-N 321.468 3.223 10 10 DGCE O=C(/C=C\c1cnccn1)N(Cc1ccco1)c1ccccc1 491188600 XMKAOKWFLWEMIK-HJWRWDBZSA-N 305.337 3.316 10 10 DGCE CO[C@@H]1CC[C@@H]1N(C)c1ccc([C@H](C)O)c(Br)c1 724151599 SPZLWQAZJPZJBZ-QCZZGDTMSA-N 314.223 3.116 10 10 DGCE CC[C@@H](NCc1cnc(C)[nH]1)c1cc(Br)ccc1O 724678581 BCPZYTFDBWTJAE-CYBMUJFWSA-N 324.222 3.427 10 10 DGCE Cc1ncsc1/C=C/C(=O)N1CCc2cc(F)c(F)cc21 776784566 PUFNYZAWUPDWJZ-NSCUHMNNSA-N 306.337 3.332 10 10 DGCE C[C@H](NCC1(CO)CC2(CCC2)C1)c1cc(F)cc(F)c1O 788610413 LOLZXCZTHDKOOO-NSHDSACASA-N 311.372 3.264 10 10 DGCE C[C@H](NC(=O)c1c(F)ccc(O)c1O)c1ccc(F)cc1F 789944289 QACMRTFEPSARHU-ZETCQYMHSA-N 311.259 3.006 10 10 DGCE CCOc1ccc(O)c(CN[C@H](C(C)C)C2(CO)CCC2)c1 814169056 CPKGLQVLMBFVFR-QGZVFWFLSA-N 307.434 3.068 10 10 DGCE CCOc1ccc(CNC[C@H]2CCO[C@@H](C(C)C)C2)c(O)c1 824798370 DBCAGJYTHCWSRT-KBXCAEBGSA-N 307.434 3.332 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)C2CC3(C2)CC3(F)F)c1 830540828 NZPGBCMYIAPLQA-SBTGLGLWSA-N 311.328 3.013 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C1(CCF)CC1 839920818 FGPAOOLICXOOIR-CQSZACIVSA-N 306.425 3.248 10 10 DGCE COc1ccnc(CN[C@@H]2C[C@@H](C)c3c(F)ccc(O)c32)c1F 850537008 LSPLDQTXQPUVNK-MWLCHTKSSA-N 320.339 3.412 10 10 DGCE CC(C)[C@H]1C[C@H](CNC(=O)N[C@H](C)c2ccccc2O)CCO1 868671718 CMIOCPSQIUXEAU-CKEIUWERSA-N 320.433 3.204 10 10 DGCE Cc1ccc(O)c([C@@H](C)NC[C@@H]2CCC3(CCOCC3)O2)c1 927013724 LZKHVVWBTUYTBN-CABCVRRESA-N 305.418 3.079 10 10 DGCE C[C@H](N[C@H]1C[C@@H]2OC(C)(C)O[C@@H]2C1)c1ccc(Cl)cc1O 927056907 NXIWQKQUDSOWMP-LHAJWOIZSA-N 311.809 3.379 10 10 DGCE C[C@H](N[C@H]1C[C@@](CO)(c2ccccc2)C1)c1ccc(N(C)C)cc1 927152028 IUJPVFRZOYLAEU-NBHGPNQESA-N 324.468 3.496 10 10 DGCE Cc1cc(CC(=O)NC[C@H]2CCCC2=O)c(C)n1-c1ccccc1 1154560713 UDEULLYDWCMVPA-MRXNPFEDSA-N 324.424 3.122 10 10 DGCE C[C@H](NCCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1O 1197003927 NBCQUJYIKZPPOM-ZDUSSCGKSA-N 316.357 3.420 10 10 DGCE COc1ccc(CNC(=O)N[C@@H](C)[C@@H]2CCC[C@@H](C)C2)c(O)c1 1312874546 UABUTYXTCCNAHD-HZSPNIEDSA-N 320.433 3.415 10 10 DGCE Cn1nccc1C1=CCN(Cc2ccc(N3CCCC3)cc2)CC1 1327387139 JYVRHFRBKTXRKA-UHFFFAOYSA-N 322.456 3.310 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)[C@@]1(O)CCCC(C)(C)C1 1465028541 GSCQJRYHISWVOK-LJQANCHMSA-N 318.461 3.009 10 10 DGCE CN(Cc1ccccc1O)C(=O)NC[C@H]1C[C@H]1C1CCCC1 1521349524 KBLNQECYJUPOMQ-CVEARBPZSA-N 302.418 3.360 10 10 DGCE CCOc1cccc(/C=C\C(=O)N(C)Cc2ccccc2O)c1 1588155769 FSUKFNLUYPBDID-QXMHVHEDSA-N 311.381 3.463 10 10 DGCE Cc1cc(C)cc(C(=O)NCc2ccc3cccnc3c2O)c1 1638570359 ZSKJTQGMFJMIOR-UHFFFAOYSA-N 306.365 3.487 10 10 DGCE CCCN[C@H](c1ccccc1O)[C@@H]1C[C@H]1NC(=O)OC(C)(C)C 1894159703 NBTONFGUXZTRND-IIAWOOMASA-N 320.433 3.346 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]([C@H](N)c2ccccc2O)C12CCC2 1901211812 DSWHWYUTCRPNSM-DZGCQCFKSA-N 318.417 3.182 10 10 DGCE CO[C@H]1CCN(c2ccc([C@H](C)N)c(Br)c2)[C@@H]1C 1914273402 YMJJMWCBXURRMN-RBZYPMLTSA-N 313.239 3.082 10 10 DGCE CCN[C@H](C)c1ccc(N2CC(F)C2)cc1Br 1916991130 JLZRZSFDEJJXDL-SECBINFHSA-N 301.203 3.278 10 10 DGCE COC[C@H]1CC[C@@H](NCc2cc(Br)ccc2O)C1 1918701505 OQTWXGVSUIYVRU-GXFFZTMASA-N 314.223 3.059 10 10 DGCE CCN[C@@H](c1ccccc1O)[C@@H](CC)NC(=O)OC(C)(C)C 1928471587 VVNNBYNBRVEHBQ-HIFRSBDPSA-N 308.422 3.346 10 10 DGCE CCC[C@H](CNCc1ccccc1O)CNC(=O)OC(C)(C)C 1938148866 GLRBMCMJYQUHCG-CQSZACIVSA-N 322.449 3.423 10 10 DGCE CC(C)(C)OC(=O)Nc1cccc(O)c1[C@@H]1CC(F)(F)CN1 1953042396 TXTHGXQOXVOBMY-JTQLQIEISA-N 314.332 3.409 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H]1CC[C@H](N)c1ccccc1O 1960442255 DLHVQDKYXNEZDG-OCCSQVGLSA-N 306.406 3.182 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CCCCCN(CCCN=[N+]=[N-])C1 1962302870 CYZFDPGKARAALN-ZDUSSCGKSA-N 311.430 3.456 10 10 DGCE C[C@H]1CCN(c2cc(Br)c(CN)cc2F)C[C@@H]1F 2034816682 VQQLUPPBVLFELZ-UFBFGSQYSA-N 319.193 3.231 10 10 DGCE CN(C[C@H]1[C@H]2CCC[C@H]21)c1ccc(CO)cc1Br 2048406271 UHAUPJIBVSMUOW-CLLJXQQHSA-N 310.235 3.424 10 10 DGCE CCc1nn(Cc2c(O)cccc2F)c(C(F)(F)F)c1O 2078843702 AHLZSWMVFWHHPB-UHFFFAOYSA-N 304.243 3.063 10 10 DGCE CC(C)NCc1ccc(N2CCO[C@@H](CF)C2)c(Cl)c1 2172049960 HGIPVVZHPDOQND-ZDUSSCGKSA-N 300.805 3.013 10 10 DGCE CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(O)c(O)c1 2174772156 YBFVXGVNGFPPJW-UHFFFAOYSA-N 311.790 3.475 10 10 DGCE CN[C@H](C)c1ccc(N2CCOC[C@H]2C(F)F)cc1Cl 2175653056 FHLLAOJZQKBRMT-RNCFNFMXSA-N 304.768 3.091 10 10 DGCE CCc1cccc(CN[C@H]2CS[C@@H](C(F)(F)F)C2)c1O 2189246196 QMWIVWJEXBMYTQ-VXGBXAGGSA-N 305.365 3.481 10 10 DGCE [N-]=[N+]=N[C@H]1CCN(C(=O)Nc2ccccc2Br)C1 2220115106 ZNEZWYYLTDOBSQ-QMMMGPOBSA-N 310.155 3.366 10 10 DGCE COC[C@]1(C)C[C@H]1CNCc1cc(Cl)cc(Cl)c1O 2269291150 LXLPCXQXDOEZME-HZMBPMFUSA-N 304.217 3.461 10 10 DGCE OC[C@]1(NC2CC2)CCCC[C@H]1CCSc1nccs1 2288723346 OLRKFJDLKIYLFT-SWLSCSKDSA-N 312.504 3.299 10 10 DGCE COc1cccc(-c2csc(=O)n2Cc2ccc(N)cc2)c1 33500905 DXDVWIKWLACUHJ-UHFFFAOYSA-N 312.394 3.216 10 10 DGCE COc1cc(CNc2ccc(O)cc2)cc(Br)c1O 37131813 HBWPAMZCOHUGAX-UHFFFAOYSA-N 324.174 3.481 10 10 DGCE COC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nccs2)cc1 52914125 WGWNFWFGXZGIDW-SECBINFHSA-N 322.411 3.049 10 10 DGCE CCOC(=O)[C@H](NCCN=[N+]=[N-])c1ccc(Cl)cc1Cl 90257393 REUMNXHHJMWIOA-LLVKDONJSA-N 317.176 3.498 10 10 DGCE CCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1cc(C)ccc1O 185682400 KOHVBNFGTMFSKR-JSGCOSHPSA-N 300.406 3.040 10 10 DGCE Cc1ccc(O)c([C@@H](C)NC2CCN(c3ccccn3)CC2)c1 192709530 VVQCGVVEYKMRTB-OAHLLOKOSA-N 311.429 3.415 10 10 DGCE COc1ccc(CNCc2ccc(N(C)C)c(OC)c2)cc1 212688845 LKOBAIPMCCRGJP-UHFFFAOYSA-N 300.402 3.060 10 10 DGCE Oc1c([C@@H]2CCN2)cc(Br)c(F)c1Br 238709170 RDZRTCCHLMMJBZ-LURJTMIESA-N 324.975 3.091 10 10 DGCE CC(=O)N(C(=O)CCc1cccc(Cl)c1)c1ccc(N)cc1 240721789 APBGTDOSBOGYJR-UHFFFAOYSA-N 316.788 3.435 10 10 DGCE C[C@@H]1C[C@@H](N(C)Cc2cccc(Br)c2O)[C@@H](C)O1 384984407 ZMJDGZBKWLKHGF-GIPNMCIBSA-N 314.223 3.152 10 10 DGCE CC[C@@H](C)N(Cc1ccccc1)c1ccc2c(c1)N(C)C(=O)[C@@H]2N 387265746 SBGAFPAGSZVVLI-AUUYWEPGSA-N 323.440 3.468 10 10 DGCE COc1cccc(CN[C@H]2[C@@H]3c4ccc(Cl)cc4C[C@H]32)c1O 527749604 NQVRZDBCXLJLNX-DJIMGWMZSA-N 315.800 3.482 10 10 DGCE C[C@@]12CN(Cc3ccccc3)C[C@H]1CN(c1ccc(CN)cc1)C2 702121345 YEASFPHJEWRYNV-FPOVZHCZSA-N 321.468 3.104 10 10 DGCE NCc1cc(F)c(N2C[C@H]3CCCC[C@H]32)cc1Br 706786733 YERMAVACFHAEMR-NOZJJQNGSA-N 313.214 3.426 10 10 DGCE Oc1c(F)cc(Br)cc1CN[C@@H]1C[C@H]1C1CC1 715744626 JNFGMIKARRRLHM-CMPLNLGQSA-N 300.171 3.182 10 10 DGCE NCc1ccc(N2C[C@H]3CC=CC[C@H]3C2)c(Br)c1 723190604 ILRDDDFYPLTZRM-BETUJISGSA-N 307.235 3.310 10 10 DGCE C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cc(O)cs1 732284634 VLIVAJRZAIAPIV-FZMZJTMJSA-N 303.383 3.056 10 10 DGCE COC(=O)N1CCC[C@H]([C@H](C)N[C@@H](C)c2cc(C)ccc2O)C1 775580876 MZWOIHPGDKBKAJ-KKUMJFAQSA-N 320.433 3.218 10 10 DGCE C[C@H](NC(=O)c1nc(Cl)cs1)c1ccc(N(C)C)cc1 788767795 AQXZVQVTXBGMDA-VIFPVBQESA-N 309.822 3.354 10 10 DGCE CN(Cc1ccccc1O)C(=O)c1cn(C)c2ccc(F)cc12 797738517 SEYNLFDYHYCUSW-UHFFFAOYSA-N 312.344 3.295 10 10 DGCE C[C@H](NC(=O)c1cnc2cnccc2c1)c1ccc(N(C)C)cc1 798502231 QSJAGVIEUHYSRD-ZDUSSCGKSA-N 320.396 3.187 10 10 DGCE Oc1cc2c(cc1CN[C@@H]1CCCc3c(F)cccc31)OCO2 824469015 UXCVUEGEZKXOHI-OAHLLOKOSA-N 315.344 3.427 10 10 DGCE Cc1cc(O)c(CNC[C@@H](O)Cc2ccccc2)cc1Cl 825240879 LRETVVYRBSAGSL-HNNXBMFYSA-N 305.805 3.047 10 10 DGCE Cc1cc(O)c(CN2CCc3ccnc(O)c3C2)cc1Cl 825693308 WALJBXGGAHHYTL-UHFFFAOYSA-N 304.777 3.013 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)[C@@]2(C)C[C@@H]3C[C@@H]3C2)cc1 844857337 UGEFNSCEAVLRSX-CCWDJLKJSA-N 316.445 3.026 10 10 DGCE CCOc1cccc(CN[C@@H](c2ccccc2F)[C@H](C)O)c1O 846019165 XWZHYEMRYDFNSU-YVEFUNNKSA-N 319.376 3.142 10 10 DGCE CC(C)(CNCc1cc2c(cc1O)OCO2)CC(F)(F)F 853096269 VGWAZUNRZYAGLY-UHFFFAOYSA-N 305.296 3.189 10 10 DGCE CCOC(=O)C1=CC[C@@H](N[C@@H](C)c2c(C)cc(C)cc2O)C1 858509896 TYANLBHEJPPQJU-DZGCQCFKSA-N 303.402 3.312 10 10 DGCE Cc1cc(C)c([C@@H](C)NCCOCC(=O)OC(C)(C)C)c(O)c1 866437443 HEXSXPWVDOBYOG-CQSZACIVSA-N 323.433 3.018 10 10 DGCE O=C(N[C@@H]1CCCC12CC2)c1cc2cc(O)c(O)cc2s1 899154519 TWJNELHZLGVDPD-CQSZACIVSA-N 303.383 3.375 10 10 DGCE C[C@H](NC[C@@]1(C(F)(F)F)CCCN1)c1ccc(N(C)C)cc1 925855850 IFDXQPUQLIDSTE-SWLSCSKDSA-N 315.383 3.088 10 10 DGCE C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)[C@H]1CCC[C@@H](C)C1 1142302195 SAVWIXSXXFKIHG-FWJCNIIASA-N 303.402 3.442 10 10 DGCE O=C(NCc1cccc(Cl)c1O)c1ccc2cc[nH]c2c1 1180409910 IIURIZBYDXGEEL-UHFFFAOYSA-N 300.745 3.457 10 10 DGCE COc1ccc(CN[C@@](C)(CO)Cc2ccc(F)cc2)cc1C 1198230041 NOJQPELZODUGDU-LJQANCHMSA-N 317.404 3.226 10 10 DGCE CCOC(=O)[C@@H](CC)N(Cc1ccc(N(C)CC)cc1)C1CC1 1307695939 SQFMYNNFFXJXTA-GOSISDBHSA-N 318.461 3.449 10 10 DGCE C/C=C/C[C@@H](NCc1ccc(N2CCCC2)cc1)C(=O)OCC 1321148876 ODSVVDOWVSGNEF-YWPBOTNQSA-N 316.445 3.274 10 10 DGCE C[C@H](CC(=O)NCc1ccc(N(C)C)c(F)c1)C(F)(F)F 1329211285 VFVPYKHNGXGDRD-SECBINFHSA-N 306.303 3.096 10 10 DGCE CO[C@H]1CC[C@@H](NC(=O)c2sccc2-n2c(C)ccc2C)C1 1338846954 WSCARBZEQGEBFG-KGLIPLIRSA-N 318.442 3.453 10 10 DGCE O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCC[C@@H](F)C1 1348957288 FOSMVSZZTACFLD-JKSUJKDBSA-N 304.409 3.431 10 10 DGCE COc1ccc(N(C)C[C@H]2CN(C3CCCCC3)C(=O)O2)cc1 1473612944 CLTSOSRMHVOOQP-KRWDZBQOSA-N 318.417 3.285 10 10 DGCE c1ccc([C@H](Cn2cccn2)NCc2ccc3c(c2)CCO3)cc1 1474017612 WHACFSROMXFWQB-IBGZPJMESA-N 319.408 3.349 10 10 DGCE O=C(/C=C/c1ccc(Cl)nc1)N1CCCn2ncc(Cl)c21 1532491680 CASBGYVGJAYASV-HWKANZROSA-N 323.183 3.035 10 10 DGCE Oc1cc(Cl)ccc1CNC[C@H]1CC[C@@H](C(F)(F)F)O1 1561004719 TVGVLFHVZISORR-PWSUYJOCSA-N 309.715 3.245 10 10 DGCE Cc1ccc(CCNC(=O)c2ccc(N=NC(N)=O)cc2)c(C)c1 1626896026 VWLYDYKEWHYXKH-UHFFFAOYSA-N 324.384 3.438 10 10 DGCE Cc1csc(NC(=O)c2cc3cc(O)c(O)cc3s2)n1 1630512123 RHAGMTYKZLMMRZ-UHFFFAOYSA-N 306.368 3.330 10 10 DGCE COc1cccc(CNC(=O)Cc2ccc(F)c(Cl)c2)c1O 1631540254 QQCQMQPJBMCGEP-UHFFFAOYSA-N 323.751 3.052 10 10 DGCE CCC(CC)[C@H](CCNC(=O)NCc1cc(C)ccc1O)OC 1633429726 HLQNSNKPNZRTER-KRWDZBQOSA-N 322.449 3.341 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1C[C@H](C)C[C@@H]1C 1636263936 VVNJWKJFQGEOSH-KBMXLJTQSA-N 317.477 3.432 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2[nH]c(-c3ccccc3)nc2C)c1 1645800720 PUQDVQQJGNWOTD-UHFFFAOYSA-N 321.380 3.329 10 10 DGCE O=C(c1ccco1)N1CCN(/N=N/c2ccc(F)c(F)c2)CC1 1860488035 AKKGOOOMLQDWSS-VHEBQXMUSA-N 320.299 3.015 10 10 DGCE CCCN[C@H](c1ccccc1O)[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C 1894164060 NBTONFGUXZTRND-IJEWVQPXSA-N 320.433 3.346 10 10 DGCE CN[C@@H](C)c1ccc(N(Cc2ccccc2)C2COC2)cc1O 1915681026 VYMANKBHTXGQBR-AWEZNQCLSA-N 312.413 3.078 10 10 DGCE CC(C)(CC[C@@H](N)c1ccccc1O)NC(=O)OC(C)(C)C 1928471333 JPBAZEVEKHVFDU-CYBMUJFWSA-N 308.422 3.476 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@@H](F)[C@H](C)C2)c(Br)c1 1947332420 HZTNPZXGUGCKPY-KBVBSXBZSA-N 301.203 3.263 10 10 DGCE COc1c(Br)cc(Cl)cc1[C@@H](CO)N=[N+]=[N-] 1951361579 VEMPJXZBIHWVPA-MRVPVSSYSA-N 306.547 3.455 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](F)C[C@H]1c1cccc(N)c1O 1953066171 JCXNIUIVRKHDCF-GWCFXTLKSA-N 310.369 3.385 10 10 DGCE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNc1ccc(N)cc1 1959367995 QUNSJCHBERKIBE-QWHCGFSZSA-N 305.422 3.184 10 10 DGCE C[C@H](CCN(C)C(=O)OC(C)(C)C)N(C)c1ccc(N)cc1 1960839192 IDPLKHXBUSUTDI-CYBMUJFWSA-N 307.438 3.351 10 10 DGCE C[C@@H]1C[C@@H](C)N(CCN=[N+]=[N-])C[C@@H]1CNC(=O)OC(C)(C)C 1962305444 SBVKXMAHCMCTOO-UPJWGTAASA-N 311.430 3.168 10 10 DGCE COc1ccc(O)c([C@@H](C)N[C@@H]2CCCC3(CC2)OCCO3)c1 1967519532 CMPNUJDKUSYMEO-ZIAGYGMSSA-N 321.417 3.127 10 10 DGCE CN[C@H](c1ccccc1O)[C@H]1CC=CCN1C(=O)OC(C)(C)C 1980937004 BGKJJLAEWOGVDD-GDBMZVCRSA-N 318.417 3.218 10 10 DGCE C[C@H]1CN(Cc2cccc(Br)c2O)CC1(F)F 1996513771 KYOSVLQSAGAEKU-QMMMGPOBSA-N 306.150 3.242 10 10 DGCE C[C@H](O)c1ccc(N2CC[C@@H]2C(F)F)c(Br)c1 2004490910 OQCITAGADOWTDV-WRWORJQWSA-N 306.150 3.346 10 10 DGCE C[C@H](O)c1ccc(N(C)Cc2cocn2)c(Br)c1 2042266456 FXJWZGCRPDTHSL-VIFPVBQESA-N 311.179 3.127 10 10 DGCE CCC[C@@H](COC)N(C)Cc1c(O)cccc1Br 2047298677 PPESHNIVHDYFRT-NSHDSACASA-N 316.239 3.402 10 10 DGCE CNCc1ccc(N2CCCC[C@@H]2CF)cc1Br 2051770922 VWBLFHYJMYYYRF-CYBMUJFWSA-N 315.230 3.497 10 10 DGCE Oc1cccc(F)c1Cn1nc(C2CC2)cc1Br 2070032578 LNZLJIBKYFRQMO-UHFFFAOYSA-N 311.154 3.416 10 10 DGCE Cc1cc(O)c([C@H](C(C)C)n2nc(C)c(C(=O)O)c2N)cc1C 2079927300 OSHAPUWPMIZOOO-HNNXBMFYSA-N 317.389 3.040 10 10 DGCE CN1CCc2cc([C@@H](O)[C@@H](N)c3cscc3Cl)ccc21 2148346382 LDBHIJGITHYZBQ-LSDHHAIUSA-N 308.834 3.127 10 10 DGCE C[C@@H](N)c1ccc(N(C)[C@H]2COCCC2(F)F)cc1Cl 2168221159 USJCIFOGHPBAKW-RNCFNFMXSA-N 304.768 3.220 10 10 DGCE C[C@@H]1C[C@H](N(C)c2ccc(CN)cc2C(F)(F)F)CS1 2189462226 NLLYICWBDGJAFM-KOLCDFICSA-N 304.381 3.494 10 10 DGCE CNCc1sc(N(C)[C@H](C)c2ccccc2O)nc1Cl 2192598953 VKKVFMXTSCRHDK-SECBINFHSA-N 311.838 3.419 10 10 DGCE CCC(F)(F)CNCc1c(Br)ccc(OC)c1O 2220461800 BJRUPJWHQAWRAH-UHFFFAOYSA-N 324.165 3.298 10 10 DGCE COc1ccc(N2[C@H]3CC[C@H]2CC(=O)C3)c(Br)c1 2221625690 YYKWIMVHKKVKFI-UWVGGRQHSA-N 310.191 3.158 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@H]1NC(=O)c1ccc(Cl)nc1Cl 2225794110 CORPYZBWYQOWSV-SFYZADRCSA-N 300.149 3.350 10 10 DGCE CC[C@@H](C)NCc1cnc(Sc2ncc3n2CCC3)s1 2239997418 SURZGCHSDJIDMO-SNVBAGLBSA-N 308.476 3.325 10 10 DGCE CSc1ncc(CN2CCN[C@@H](C3CCCCC3)C2)s1 2284676242 HCRWWGWDJSGBFO-CQSZACIVSA-N 311.520 3.219 10 10 DGCE O=C(O)c1nc2ccc(F)cn2c1N=Nc1ccc(O)cc1 2320770892 JMQPFIYEZCXXFA-UHFFFAOYSA-N 300.249 3.293 10 10 DGCE Cc1cccc(N=NN2CCN(C(=O)c3ccco3)CC2)c1C 2330159067 AWIMJZIJKXUEGG-UHFFFAOYSA-N 312.373 3.353 10 10 DGCE COc1cc(C(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])sc1Cl 2340285624 KBMQWKFECPSCGT-NKWVEPMBSA-N 300.771 3.371 10 10 DGCE Cc1ccc(CN(C)c2cnn(C)c2C)c(O)c1Br 2352945997 DVUXNHQXIHPRSJ-UHFFFAOYSA-N 324.222 3.141 10 10 DGCE CCC1(NC(=O)NCc2ccc(N3CCCC3)cc2)CCC1 175960494 JVERDNAKGYFSRT-UHFFFAOYSA-N 301.434 3.419 10 10 DGCE Cc1ccc(O)c(CN2CCN(c3nc4ccccc4o3)CC2)c1 179502189 SFVJSNAPRCUHBV-UHFFFAOYSA-N 323.396 3.164 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CC[C@@H]2CCCN[C@@H]2C1 2361350548 RFLLBLGERDHKJN-IINYFYTJSA-N 315.244 3.273 10 10 DGCE Cc1noc([C@@H](N[C@H](C)c2ccc(F)c(F)c2O)C(C)C)n1 187719242 CVULRCXGQKKWER-OQPBUACISA-N 311.332 3.410 10 10 DGCE CC(C)OCCN1CCC(N[C@@H](C)c2cc(F)ccc2O)CC1 185637726 XBSZUSMRESCPNY-AWEZNQCLSA-N 324.440 3.071 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1C[C@@H]1C1CCCCC1 186405238 ASUOVYSDXSYANX-WQVCFCJDSA-N 317.429 3.361 10 10 DGCE CCN(CCc1nccs1)Cc1cc2c(cc1O)CCC2 134033302 QDBWISNGTNXIMG-UHFFFAOYSA-N 302.443 3.402 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC(=O)[C@@H](C)C1 193928112 KFOCYWSKUDUARZ-NSHDSACASA-N 316.426 3.207 10 10 DGCE CC[C@H](N[C@H](C)Cc1cc(C)[nH]n1)c1ccc(N(C)C)cc1 90531759 SWHJLBPXJTUKEC-ACJLOTCBSA-N 300.450 3.456 10 10 DGCE CC1(C(=O)NCc2cccc(Br)c2O)C[C@H]2C[C@@H]2C1 816495763 IWBVJMIJOXLNAF-GHMZBOCLSA-N 324.218 3.207 10 10 DGCE Cc1cc(Cl)cc(CNc2ccc3c(c2)CNCCO3)c1O 841080460 DJOAWEKVYKOLAP-UHFFFAOYSA-N 318.804 3.448 10 10 DGCE COc1cc(Br)cc([C@@H](C)NCC2CC2)c1O 848518743 NKWRACAAELORIH-MRVPVSSYSA-N 300.196 3.224 10 10 DGCE Nc1ccc(NC(=O)N2[C@H]3CC[C@H]2CC2(C3)CC2(F)F)cc1 859696413 IRLGQQGNXPEQMB-STQMWFEESA-N 307.344 3.453 10 10 DGCE Cc1cc(C(=O)NC[C@]2(C)CC2(F)F)c(C)n1-c1ccccn1 855798045 BAJJVJMBSRCQCG-INIZCTEOSA-N 319.355 3.264 10 10 DGCE CC[C@H](N[C@H]1C[C@H](C)n2ncnc21)c1cccc(Cl)c1O 850498830 DQCRJYSSLHXFCY-XDTLVQLUSA-N 306.797 3.384 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(C(F)(F)F)CC1 764894887 MMRAEZOQSMWEMV-UHFFFAOYSA-N 314.351 3.444 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@]12CCCC[C@H]1C2 866203662 PRIIGGPLSIRGBL-SCLBCKFNSA-N 300.402 3.058 10 10 DGCE Cc1cnc([C@H](C)CNC(=O)N[C@@H](C)c2ccccc2O)s1 868498787 AEYVAGZEYIRIML-PWSUYJOCSA-N 319.430 3.321 10 10 DGCE COC(=O)[C@@H](C1CC1)N(C)Cc1ccc(N2CCCCC2)cc1 782034550 WCUSSEHGRVOFDX-GOSISDBHSA-N 316.445 3.060 10 10 DGCE COc1cc(O)c(CN2CC[C@@]3(CC[C@@H](C)C3)C2)cc1OC 781585830 IRBAAXNLECOQIY-FZKQIMNGSA-N 305.418 3.422 10 10 DGCE C[C@@H](NCC1(C(F)(F)F)CC1)c1cc([N+](=O)[O-])ccc1O 797071128 RDILJNXCRFNOMU-MRVPVSSYSA-N 304.268 3.294 10 10 DGCE Cc1ccnc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1C1CC1 1155410176 VFKNDMFPNRIDNZ-XVNBXDOJSA-N 310.353 3.331 10 10 DGCE Cc1cccc(-n2c(C)cc(C(=O)N[C@H]3COC[C@H]3C)c2C)c1 1156327072 VDUZNLPGZNLUEN-ACJLOTCBSA-N 312.413 3.167 10 10 DGCE CN(Cc1ccc(-c2cnn(C)c2)cc1)Cc1ccccc1O 1321028415 CPLSTMYYACQNLL-UHFFFAOYSA-N 307.397 3.425 10 10 DGCE C[C@H](N[C@H](C)C(=O)Nc1cccc(F)c1)c1ccccc1O 1175418453 KRNFBGZRBLYUHT-NWDGAFQWSA-N 302.349 3.209 10 10 DGCE C[C@H](O)c1ccc(N2CCC[C@H](F)C2)c(Br)c1 689389081 OOVHTNPLVPVDOS-ONGXEEELSA-N 302.187 3.441 10 10 DGCE CCNCc1ccc(N2CC[C@H](CF)C2)cc1Br 711516997 HAXYTISGUGYDFO-LLVKDONJSA-N 315.230 3.354 10 10 DGCE CCC[C@H]1CCCC[C@H]1CNC(=O)Cc1ccc(O)c(O)c1 1451454816 GWIDSQFTTLDBKW-GJZGRUSLSA-N 305.418 3.363 10 10 DGCE COC(=O)[C@@H](N[C@@H](C)c1ccccc1O)c1ccc(F)cc1 1473723968 NXZAQJVCMSIDEY-ZBEGNZNMSA-N 303.333 3.096 10 10 DGCE COc1ccc2c(c1)C[C@H](C(C)C)CN2C[C@H](O)C(F)(F)F 1473570048 NQTQHDUAIAGBNQ-WFASDCNBSA-N 317.351 3.253 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N1CCCCC[C@H]1c1ccco1 1543968789 HPQUKSZMWRNEKO-AWEZNQCLSA-N 315.369 3.377 10 10 DGCE C[C@@H]1CCc2ccccc2N1C(=O)/C=C/c1ccc(O)c(O)c1 1540435734 XHGPLWXNJADGNW-RUNBWSAHSA-N 309.365 3.479 10 10 DGCE CN(Cc1ccccc1O)C(=O)Cn1ccc2ccc(F)cc21 1622312561 QFOILBQQFQSLFX-UHFFFAOYSA-N 312.344 3.145 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)c1nc(C2CC2)cs1 1627690129 WTKPRQVKCISFCE-UHFFFAOYSA-N 315.442 3.325 10 10 DGCE CCCC[C@@H](O)CCC(=O)N[C@H](C)c1ccc(N(C)C)cc1 1556260971 WPZQQFJDNCTPAT-RHSMWYFYSA-N 306.450 3.261 10 10 DGCE CC(C)c1cc(NC(=O)c2cc3cc(O)c(O)cc3s2)n[nH]1 1630712970 HWWPQNRAEIBJKR-UHFFFAOYSA-N 317.370 3.411 10 10 DGCE CN(C(=O)/C=C\c1cncc(F)c1)c1cccc2c1CCCN2 1639934385 NYOWNYITRPDZJN-FPLPWBNLSA-N 311.360 3.255 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C[C@@H]2CCC[C@H]21 1565461028 XSNINCFUWXJTHE-CGTJXYLNSA-N 315.461 3.473 10 10 DGCE C[C@@H](NC(=O)c1sc2ncccc2c1N)c1ccccc1O 1642827170 ALULUJWWKOFMSR-SECBINFHSA-N 313.382 3.075 10 10 DGCE CCNCc1ccc(N(C)C[C@H]2CCCN2CC)c(Cl)c1 164147278 HMHAELBZXFWRNZ-OAHLLOKOSA-N 309.885 3.370 10 10 DGCE Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CC[C@H](O)C2(C)C 14719982 PTDUBPDLRWKSBQ-ZDUSSCGKSA-N 310.349 3.219 10 10 DGCE biogenic,in-vitro COc1cc(Cl)cc(CNC[C@@H]2C(C)(C)C2(F)F)c1O 827515448 HVBYKTYMDAICIW-LLVKDONJSA-N 305.752 3.435 10 10 DGCE [N-]=[N+]=NCC1CCN(Cc2cncc(Br)c2)CC1 1912145948 NIQDQQRRSPUBCM-UHFFFAOYSA-N 310.199 3.366 10 10 DGCE Cc1cc(CN)ccc1N(C)Cc1nccn1Cc1ccccc1 1915033874 MNTOCECFTIQBDV-UHFFFAOYSA-N 320.440 3.335 10 10 DGCE C[C@H](O)c1ccc(N(C)C2CSC2)c(Br)c1 1936309125 VTPPAMAWVOMBAB-QMMMGPOBSA-N 302.237 3.054 10 10 DGCE CN(C)c1ccc([C@H](N)[C@]2(C)CCN2C(=O)OC(C)(C)C)cc1 1977944486 GOISSPNPKHHLGJ-YJBOKZPZSA-N 319.449 3.152 10 10 DGCE CC(C)(C)OC(=O)NC1C[C@@H]2CC[C@H](C1)N2c1ccc(N)cc1 1977964965 BTJJLWYTQPALKP-VHRNVKJDSA-N 317.433 3.293 10 10 DGCE CC(C)(C)OC(=O)N1CC([C@H]2CCCCN(CCN=[N+]=[N-])C2)C1 1982245946 OHFDUEIGQAOEPE-ZDUSSCGKSA-N 323.441 3.266 10 10 DGCE CN(Cc1cc(Br)ccc1O)[C@H]1CCC[C@@H]1F 2006800543 BPJHCFKVGNEDDO-RYUDHWBXSA-N 302.187 3.477 10 10 DGCE CO[C@@H](C1CC1)C(F)(F)CNCc1cccc(Cl)c1O 2155493685 ACMWRLUJGDNATC-ZDUSSCGKSA-N 305.752 3.196 10 10 DGCE CC(=O)NN1C(=O)C(=Cc2ccc(C(C)C)cc2)SC1=S 2040444449 JLWRLSPZJRCNQH-UHFFFAOYSA-N 320.439 3.062 10 10 DGCE C[C@H](NCc1cncc(Br)c1)c1cc(O)ccc1O 703001565 DOTKLPBCGCNFOL-VIFPVBQESA-N 323.190 3.106 10 10 DGCE NCc1ccc(N2CCO[C@H](c3ccsc3)C2)cc1Cl 2171860888 VRCXWWULDGVQEO-HNNXBMFYSA-N 308.834 3.438 10 10 DGCE CC(C)n1ncc(Br)c1[C@@H](O)Cc1ccc(N)cc1 696591784 BEHBLYZOJXXTQT-ZDUSSCGKSA-N 324.222 3.085 10 10 DGCE CC(C)c1cc(CN(C)C)n(Cc2cc(Cl)ccc2O)n1 2070135614 VUONHPXCPINDNY-UHFFFAOYSA-N 307.825 3.475 10 10 DGCE Oc1ccc(Cl)cc1CN[C@@]1(C(F)(F)F)CCCOC1 2179878404 KTGDXEAMDDPFMH-LBPRGKRZSA-N 309.715 3.247 10 10 DGCE C[C@@H]1CCOCC[C@H]1NCc1c(O)cccc1Br 2046725557 KZBGEUJFPUYFMX-ZWNOBZJWSA-N 314.223 3.059 10 10 DGCE COC[C@]1(C)CCN1c1ccc([C@H](C)N)cc1Br 2055900456 BNDUKSDDSWQUOE-HZMBPMFUSA-N 313.239 3.084 10 10 DGCE CN(Cc1ccc(Br)cc1O)C[C@]1(C)CCCO1 2071881488 OPPOENXOCSODOL-AWEZNQCLSA-N 314.223 3.156 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)c2ccc(Br)cn2)CC1 2099337544 XDSZPXJIKOUYNL-SNVBAGLBSA-N 324.182 3.149 10 10 DGCE C[C@@H](c1ccccc1O)N(C)c1cc(N)c(Br)cn1 2231037265 MBTQOAWUHWGLFA-VIFPVBQESA-N 322.206 3.329 10 10 DGCE COc1ncc(Br)cc1NCc1cc(C)ccc1O 2232152295 IHCNGBJTOMKPJM-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE CSc1ncc(CNc2ncc(Cl)cc2CO)s1 2256963844 GGHMEWPOWFFXPD-UHFFFAOYSA-N 301.824 3.018 10 10 DGCE CSc1ncc(CNC(=O)c2ccc(N)cc2Cl)s1 2269132862 GRFUPEWWATYZSH-UHFFFAOYSA-N 313.835 3.031 10 10 DGCE CSc1ncc(CNc2c(C)cccc2C(N)=S)s1 2269220571 MMJNFJQUJRAEQL-UHFFFAOYSA-N 309.485 3.420 10 10 DGCE CCn1ccnc1NCc1ccc(C)c(Br)c1O 2327595747 UXNDZNRNLHCTJG-UHFFFAOYSA-N 310.195 3.292 10 10 DGCE Cc1ccc(CNC(=O)CC(C)(C)F)c(O)c1Br 2327597431 WLEBKVBBASXOLG-UHFFFAOYSA-N 318.186 3.218 10 10 DGCE CCCN[C@@](CO)(CSc1nccs1)[C@@H]1CC1(C)C 2340927776 UREAEJGJXYJWRJ-RISCZKNCSA-N 300.493 3.012 10 10 DGCE CCCNCc1ccc(OC)c(Cn2ncc(Cl)c2C)c1 80010224 HQMFNYYSISZQKN-UHFFFAOYSA-N 307.825 3.401 10 10 DGCE CN(C)c1ccc(-c2nccn2Cc2cccc(C(=O)O)c2)cc1 82736876 LZLSJUBPSYJAHV-UHFFFAOYSA-N 321.380 3.363 10 10 DGCE C[C@H]1SCCN(c2c(F)cc(/C=C/C(=O)O)cc2F)[C@@H]1C 133341611 QAMJEKCEZFEAGU-HIHHVFROSA-N 313.369 3.393 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)[C@H](C)C1CCOCC1 156837449 VNQBANLQMOFKKF-CQSZACIVSA-N 305.418 3.194 10 10 DGCE Oc1ccc(Cl)cc1CNc1cccc2c1OCC[C@@H]2O 184076794 AUPRQSKYHDSNOG-HNNXBMFYSA-N 305.761 3.474 10 10 DGCE Cc1nn(C)c(C)c1C[C@@H](C)N[C@@H](C)c1ccc(F)cc1O 185559135 JOTMTHLCKODSCR-MNOVXSKESA-N 305.397 3.163 10 10 DGCE C[C@H](NC[C@@H](CO)c1ccccc1)c1cc(Cl)ccc1O 185652038 PDDITKPBNFWYSS-JSGCOSHPSA-N 305.805 3.472 10 10 DGCE C[C@@H]1C[C@@H](C)N(c2ccc(CN)c(Br)c2F)C1 231840769 GSYVEGXPPABATQ-RKDXNWHRSA-N 301.203 3.282 10 10 DGCE Nc1ccc(N(C(=O)NC2=NCCS2)c2ccccc2)cc1 244170941 VDMKFKLPOUVPFS-UHFFFAOYSA-N 312.398 3.219 10 10 DGCE O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1c(O)cccc1Cl 252503132 KNVXRQFMQFVUIU-GDLCADMTSA-N 309.793 3.263 10 10 DGCE Cc1nc(C)c(Br)c(NCCc2ccc(N)cc2)n1 322980188 VNQGVFYWNPFSTF-UHFFFAOYSA-N 321.222 3.093 10 10 DGCE COC(=O)/C=C/c1ccc(N2[C@H]3C=CC[C@H]2CC3)c([N+](=O)[O-])c1 362134791 GJSCZUXWVBSSLT-DXHQHAPDSA-N 314.341 3.078 10 10 DGCE C[C@H]1[C@H](C)CCC[C@H]1NCc1ccc(N2CCOCC2)cc1 378902497 XNVZDTYNUDERAS-JTDSTZFVSA-N 302.462 3.438 10 10 DGCE CC(C)(C)OC(=O)NC[C@H](N)c1ccc(Cl)c(Cl)c1O 687729846 ZLFGFCUKNWEKMM-VIFPVBQESA-N 321.204 3.224 10 10 DGCE Oc1ccc(CNCc2c(O)cccc2Br)cc1 706868319 FDWDMSAXDYAFID-UHFFFAOYSA-N 308.175 3.150 10 10 DGCE O=S(=O)(Nc1ccc(Cl)cc1)c1cc(F)cc(F)c1O 753016810 JMLXKTOLAVTCMU-UHFFFAOYSA-N 319.716 3.125 10 10 DGCE C[C@@H]1C[C@@H](NC[C@H](CO)c2ccccc2)c2c(O)ccc(F)c21 756632999 GKGHMPKXOXYLFR-XNRPHZJLSA-N 315.388 3.445 10 10 DGCE COC(=O)c1cc2ccccc2c(CN2CCC(F)(F)C2)c1O 776292538 MGQLDAJDNAHPEQ-UHFFFAOYSA-N 321.323 3.173 10 10 DGCE Cc1cc(C(=O)NCc2cc(Br)ccc2O)oc1C 804734666 VRMKKSFQIIRNCO-UHFFFAOYSA-N 324.174 3.295 10 10 DGCE Cc1cc(O)c(CN[C@@H]2COc3ccc(F)cc3C2)cc1C 808453024 VOIRLMOQCQDMNZ-INIZCTEOSA-N 301.361 3.241 10 10 DGCE Cc1cc(Cl)cc([C@H](C)NCCCN2CCCC2=O)c1O 808672393 MCMSGRHFEWNDSQ-LBPRGKRZSA-N 310.825 3.017 10 10 DGCE CO[C@H]1C[C@@H](N(C)Cc2ccc(N(C)C)cc2C(F)(F)F)C1 809692894 IZUDFVZEKHWBFI-OKILXGFUSA-N 316.367 3.381 10 10 DGCE CCO[C@H]1C[C@H](NCc2cc(Br)cc(C)c2O)C1 827006850 VRLFRBUVTIJEQX-JOCQHMNTSA-N 314.223 3.120 10 10 DGCE Cc1cc(CN[C@H]2COCC2(C)C)ccc1N1CCCCC1 832175355 VAKDWSJLOGVQGU-SFHVURJKSA-N 302.462 3.500 10 10 DGCE CC[C@H](N[C@H](CC)[C@@H](O)C(F)F)c1cc(Cl)ccc1O 834875951 WDGYEXUAPZTVET-DMDPSCGWSA-N 307.768 3.491 10 10 DGCE COc1ccc([C@@H](O)CNCc2c(O)cc(C)cc2Cl)cc1 840875230 KJYZUBHKDQPSOL-KRWDZBQOSA-N 321.804 3.186 10 10 DGCE Oc1ccc(Cl)c(F)c1CN1CCCC[C@@H]1[C@@H]1CCNC1 841085713 BJIFPAYFKQCFMY-BXUZGUMPSA-N 312.816 3.149 10 10 DGCE c1cc(N2CCCC2)ccc1CN[C@@H]1CCCN2CCCC[C@H]12 848575882 XMVZTKJLJUCHBS-WOJBJXKFSA-N 313.489 3.393 10 10 DGCE COc1cccc([C@H](C)NC[C@H]2CCN2C2CCCCC2)c1O 858464169 ILCFFLXMAUIIMK-GOEBONIOSA-N 318.461 3.458 10 10 DGCE C[C@@H](NCc1cc2c(O)nccc2o1)c1ccc(N(C)C)cc1 865530781 BKHYCJLEJGCITI-GFCCVEGCSA-N 311.385 3.450 10 10 DGCE C[C@@H](CCOc1ccccc1)C(=O)N1Cc2cccc(O)c2C1 871202483 JCDQTAMMFFUSTO-AWEZNQCLSA-N 311.381 3.340 10 10 DGCE CC(=O)c1cc(Cl)cc(CN(C)CCCCCCN)c1O 872154760 AEJYDYIQKOWYKU-UHFFFAOYSA-N 312.841 3.199 10 10 DGCE C[C@@H](NC(=O)c1nccc2cccnc12)c1ccc(N(C)C)cc1 1128136183 NFJHTJNYIUBPCY-CYBMUJFWSA-N 320.396 3.187 10 10 DGCE COc1cncc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)n1 1130076586 RYVQGMLFLRNIKD-UHFFFAOYSA-N 322.368 3.145 10 10 DGCE CCC(=O)c1cccc(NC(=O)c2c(F)ccc(O)c2O)c1 1161021611 WKWBDGKTMFZXTN-UHFFFAOYSA-N 303.289 3.082 10 10 DGCE C[C@H]1C[C@@H](C)C[C@H](CNC(=O)NCc2c(O)cccc2F)C1 1230793590 PNNIFFHBWZBGJZ-ITGUQSILSA-N 308.397 3.403 10 10 DGCE CCN(C)C(=O)Cn1c2c(c3cc(OC)ccc31)CCCC2 1354499295 LAVFTRZAJAKUQP-UHFFFAOYSA-N 300.402 3.007 10 10 DGCE O=C(NCc1ccccc1O)c1cccc2nc(C(F)F)[nH]c12 1465990591 OFDFKFNCKNEWFC-UHFFFAOYSA-N 317.295 3.136 10 10 DGCE CCN(CC)c1ccc(CNC(=O)c2ccc(F)cc2O)cc1 1558915695 ZPWNMMNMLKJAEM-UHFFFAOYSA-N 316.376 3.308 10 10 DGCE CCc1cccnc1C(=O)NCc1c(O)ccc2ccccc12 1635965333 WEJOVYSMWAVPRJ-UHFFFAOYSA-N 306.365 3.433 10 10 DGCE COC(=O)Nc1ccc(C(=O)Nc2cccc(N(C)C)c2)cc1 1859147321 JXPQKGLJTBHGAW-UHFFFAOYSA-N 313.357 3.183 10 10 DGCE CN[C@@H](c1ccccc1O)[C@@]1(C)CCCN1C(=O)OC(C)(C)C 1936975736 OGDSKWCODBONFH-MAUKXSAKSA-N 320.433 3.442 10 10 DGCE C[C@@H]1C[C@@]1(N)c1cc(Br)cc(Br)c1O 1951731783 UVMVRUZZAVDJGA-FWOIEVBISA-N 321.012 3.111 10 10 DGCE COc1ccc(Br)c(CNC[C@@H](C)SC)c1O 1964581427 MAIKTCNQJGMHIY-MRVPVSSYSA-N 320.252 3.004 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@H](Nc1ccc(N)cc1)C2 1977658918 HQFJRDKBOGXAJQ-MAZHCROVSA-N 317.433 3.469 10 10 DGCE C[C@@H]1C[C@@]1(NC(=O)OC(C)(C)C)[C@H](O)c1ccc(N(C)C)cc1 1984178819 XTIFHSUPWOBXFF-DWQUBVKVSA-N 320.433 3.089 10 10 DGCE C[C@H](N(C)c1ccc(CN)cc1Br)C(C)(F)F 2009090958 AWXFSFDWHDRBJU-QMMMGPOBSA-N 307.182 3.388 10 10 DGCE Cc1cc(N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)ccc1CN 2015065549 VQUBXRRSWCUHRI-CTNGQTDRSA-N 321.468 3.164 10 10 DGCE C[C@@]1(CNCc2cc(Br)ccc2O)CCCCO1 2028308327 YCLPIPDTVYUNEF-AWEZNQCLSA-N 314.223 3.204 10 10 DGCE CCCN1CCC[C@H](Nc2c(N)cccc2Br)C1 2040896897 SMRFDVBFSRLYFC-NSHDSACASA-N 312.255 3.318 10 10 DGCE NCc1cc(F)c(N2C[C@@H]3CC=CC[C@@H]32)cc1Br 2057021895 JEEPQPIIZBNECK-ZANVPECISA-N 311.198 3.202 10 10 DGCE CCOC(=O)c1cc(CC)nn1[C@H](C)c1cccc(C)c1O 2069884176 SYLMQLFYQCKVAK-GFCCVEGCSA-N 302.374 3.246 10 10 DGCE COc1cccc(O)c1[C@H](C)n1ncc(C2CCCC2)c1N 2070217266 HYKBRUCBRDSZIS-NSHDSACASA-N 301.390 3.446 10 10 DGCE CN1CCc2cc([C@@H](O)c3ncc(Cl)cc3Cl)ccc21 2163060358 AYYFLLZICFHDIF-OAHLLOKOSA-N 309.196 3.462 10 10 DGCE Oc1cccc(Cl)c1CN[C@]1(C(F)(F)F)CCCOC1 2179877928 FMTGDWIOLMKQMW-GFCCVEGCSA-N 309.715 3.247 10 10 DGCE COCCOCCCN(C)[C@@H](C)c1ccc(Cl)cc1O 2203336954 DNJCDBXGGQXAIW-LBPRGKRZSA-N 301.814 3.092 10 10 DGCE COc1ccc(Br)c(CN2CC[C@@H](C)[C@H]2C)c1O 2220484056 YLYILLTYMMFWEY-NXEZZACHSA-N 314.223 3.394 10 10 DGCE CN(C[C@@H](F)C1CCOCC1)c1ccc(CO)cc1Cl 2238337215 QPYRUQXLBHKOOC-CQSZACIVSA-N 301.789 3.033 10 10 DGCE CN[C@H](c1ccc(N(C)C)cc1)c1cocc1Br 2258126095 BZFRNXROINIRCU-CQSZACIVSA-N 309.207 3.417 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)c1c(Cl)ccc(Cl)c1N 2286897345 UTKWFJWVBYNGSS-SSDOTTSWSA-N 314.176 3.491 10 10 DGCE CO[C@@H]1CC(C)(C)CC[C@@]1(Sc1nccs1)C(=O)O 2351875081 PWMMXYMWVVQBCE-RNCFNFMXSA-N 301.433 3.284 10 10 DGCE CN(C)c1ccc(CSCC(=O)c2ccc(O)c(O)c2)cc1 1696563 HPXQKPWTQGLCMY-UHFFFAOYSA-N 317.410 3.280 10 10 DGCE CCNCc1ccc(OC)c(CSc2nnc(C)s2)c1 81873682 ZWNBRMPVYUOYGP-UHFFFAOYSA-N 309.460 3.257 10 10 DGCE Fc1cc(-c2nc(-c3cnccn3)no2)ccc1-n1cccc1 84508088 YXLZNWWRLHVGSU-UHFFFAOYSA-N 307.288 3.123 10 10 DGCE COc1cc(OC)c(N2CCCN[C@@H](C(C)C)C2)cc1Cl 86287804 GXBIYFKAIKYAEJ-CYBMUJFWSA-N 312.841 3.182 10 10 DGCE Cc1cc2c(n1-c1ncccc1Br)CCC[C@@H]2O 88447454 HPTWCWPWBCTDSA-ZDUSSCGKSA-N 307.191 3.313 10 10 DGCE Oc1ccc2ccccc2c1CN1CC[C@@](O)(C(F)(F)F)C1 93611681 XDJZKMZLQSNQFT-HNNXBMFYSA-N 311.303 3.045 10 10 DGCE C[C@@H](N)c1ccc(N2CC[C@@H](N3CCCCC3)C2)c(Cl)c1 109572535 SQBVNBFXDYTOAM-UKRRQHHQSA-N 307.869 3.424 10 10 DGCE C[C@@H]1SCCS[C@H]1c1noc(-c2cccc(O)c2O)n1 126887814 SCMXQMJVAVYKDF-WRWORJQWSA-N 310.400 3.057 10 10 DGCE COc1ccc(N(C)Cc2cc(F)cc(C(N)=S)c2)cc1 163093205 OBWUFLPPFKJCKT-UHFFFAOYSA-N 304.390 3.105 10 10 DGCE CC[C@H](N[C@H]1CCN(c2ccccc2)C1=O)c1ccccc1O 183312582 PTHJQGAVALXIJF-IRXDYDNUSA-N 310.397 3.238 10 10 DGCE COc1ccc(N2CCN(Cc3cccc(C)c3O)CC2)cc1 183477464 WTWUPFIHGQQABD-UHFFFAOYSA-N 312.413 3.031 10 10 DGCE C[C@H]1CN(c2ccc(CN)c(Br)c2)C[C@H](C)S1 228153183 PJAANVQWHFXUJJ-UWVGGRQHSA-N 315.280 3.238 10 10 DGCE CS[C@H]1CCN(c2ccc([C@H](C)N)cc2Br)C1 382928590 FCHSIYRNONHBKT-ONGXEEELSA-N 315.280 3.411 10 10 DGCE Nc1ccc(CCC(=O)OCc2ccc(Br)o2)cc1 393500447 KOCJUCCUISHXCU-UHFFFAOYSA-N 324.174 3.300 10 10 DGCE CC(C)(C)[C@H](CCO)NCc1ccc(Br)cc1O 691488059 KPHBIZPEBJJARY-ZDUSSCGKSA-N 316.239 3.041 10 10 DGCE CN[C@H](C)c1ccc(N2CC(C(F)F)C2)c(Br)c1 706446945 UWMALMLCYWFQPI-MRVPVSSYSA-N 319.193 3.431 10 10 DGCE CN(C[C@@H]1CCCS1)c1ccc(CN)cc1Br 718421399 YBSNUVFKJGHMST-NSHDSACASA-N 315.280 3.240 10 10 DGCE Cc1c(Br)cncc1NCc1cccc(O)c1O 722721936 KGNIQFDEUKTKEV-UHFFFAOYSA-N 309.163 3.176 10 10 DGCE CCn1c(/C(Cl)=C/c2cnnn2C)nc2cc(F)ccc21 751031543 JNCKXBAXOVHEPI-XFFZJAGNSA-N 305.744 3.061 10 10 DGCE Cc1ccc([C@H](NCc2c(O)ccc(Cl)c2F)C(=O)O)cc1 756280582 BRSSVEMPOUEOAO-HNNXBMFYSA-N 323.751 3.409 10 10 DGCE COCc1cnc(CN[C@@H](C)c2ccc(N(C)C)cc2)s1 775362497 HMZWYWOMZKRRFY-LBPRGKRZSA-N 305.447 3.206 10 10 DGCE COc1cnccc1[C@@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O 783331290 PJKFWSUUGNSRRU-MNOVXSKESA-N 317.345 3.116 10 10 DGCE COc1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1Cl 814254735 GFZKDAXESVICCL-UHFFFAOYSA-N 318.804 3.345 10 10 DGCE C[C@@H](N[C@H]1CNCCC1(F)F)c1ccc2ccccc2c1O 817980284 KMAQIPITWWNOHJ-ABAIWWIYSA-N 306.356 3.193 10 10 DGCE CCOC1(C(=O)N(CC)Cc2ccc(N(C)C)cc2)CCC1 824234855 VCNIZCQALFBFQV-UHFFFAOYSA-N 304.434 3.060 10 10 DGCE Cc1ncccc1/C=C/C(=O)N1CCCN(C)c2ccccc21 826101410 SKDWZDBRCFNUHN-ZHACJKMWSA-N 307.397 3.276 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@@H]2CCN(c3ccccn3)C2)cc1 835042827 YGHWEXKNMSDNET-OOFWQKGWSA-N 322.456 3.029 10 10 DGCE Oc1ccc(-c2ccccc2)cc1CNC[C@@]1(O)C[C@H]2C=C[C@H]1C2 850374191 HLFLYAKWRUIKNS-ZRCAFCQKSA-N 321.420 3.476 10 10 DGCE Cc1ccc(O)c([C@H](C)N[C@@H]2CCC[C@@H]2Cc2cnn(C)c2)c1 850541154 SMIQWOOIPHODIF-YXJHDRRASA-N 313.445 3.496 10 10 DGCE CCCN(CCC)c1ccc(CNCc2cnnn2CC)cc1 858202509 AGFANTLEZVNXEF-UHFFFAOYSA-N 315.465 3.214 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@@H]3CCCc4ncccc43)C2)cc1 866384936 GUUFUQHVTKBLLX-FOIQADDNSA-N 323.440 3.336 10 10 DGCE CC/C=C(\F)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 866900151 UFYZFFHZITXQQI-WACFDSSMSA-N 307.365 3.163 10 10 DGCE CC[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CCS1 896751777 PBTDDOOYKHJFKN-SNVBAGLBSA-N 323.439 3.280 10 10 DGCE CCc1ccc2c(c1)[C@H](NC(=O)c1cc(O)cs1)CCO2 1153831514 ARIOAXLFMOFXFS-CYBMUJFWSA-N 303.383 3.270 10 10 DGCE CC[C@H](C(=O)NCc1c(O)ccc2ccccc12)N(CC)CC 1157041384 FVMCTHPVYXQITH-QGZVFWFLSA-N 314.429 3.282 10 10 DGCE O=C(/C=C/c1ccc(O)cc1)NCc1cc(Cl)ccc1O 1165498610 PESUNVKCIGPJSD-FPYGCLRLSA-N 303.745 3.081 10 10 DGCE COc1ccc(CN[C@H](C)CCNC(=O)C(C)(C)C)cc1C 1317412654 NUKSRDCXAVBXMS-CQSZACIVSA-N 306.450 3.034 10 10 DGCE Nc1ccc(Cc2noc([C@@H]3CC[C@H]4[C@@H](C3)C4(F)F)n2)cc1 1333767101 RPAPSGVPQSDXPA-KGYLQXTDSA-N 305.328 3.391 10 10 DGCE C[C@H](NC(=O)c1cccc(O)c1F)c1ccc(N(C)C)cc1 1447968434 JACFXYLQHHDHDZ-NSHDSACASA-N 302.349 3.088 10 10 DGCE CN(C(=O)/C=C\c1ccc(Cl)nc1)c1ccc(Cl)nc1 1519914611 ZHQANUBRBGPOFO-CLTKARDFSA-N 308.168 3.460 10 10 DGCE CCOc1ccc(N2CCN(C(=O)CC(C)=C(C)C)CC2)cc1 1632157863 GDXNKEBURVQVBM-UHFFFAOYSA-N 316.445 3.480 10 10 DGCE CC(C)CN1CCC[C@@H]1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 1633315525 RYILQBXTYFQXGA-CRAIPNDOSA-N 317.477 3.050 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2C[C@H]3COC[C@H]3C2)c1 1644843739 FVJOFNPVBPTDLE-CALCHBBNSA-N 324.424 3.121 10 10 DGCE C[C@H]1C[C@H](C)CN(/N=N/c2ccc(N3CCN(C)CC3)cc2)C1 1860486307 WWQBWHQKRUHTIH-VHJGWARJSA-N 315.465 3.415 10 10 DGCE NCc1ccc(N(Cc2ccccc2)C2COC2)cc1C1CC1 1901155775 FNYKRGOOFKLVKU-UHFFFAOYSA-N 308.425 3.428 10 10 DGCE Cc1cnc(C(=O)N(C)c2ccc(N)cc2)c(Br)c1 1911271011 RAIIVZIHJUXBIP-UHFFFAOYSA-N 320.190 3.011 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1 1912193617 FSNZPWVTKAMNFD-QMMMGPOBSA-N 320.827 3.113 10 10 DGCE CC(C)[C@H](C[C@@H](N)c1ccccc1O)NC(=O)OC(C)(C)C 1928469994 MUJIKLSBTJRPLG-KGLIPLIRSA-N 308.422 3.331 10 10 DGCE CCC(CC)(NC(=O)OC(C)(C)C)[C@@H](N)c1ccccc1O 1928475056 TVGWSAPCZSGDMI-AWEZNQCLSA-N 308.422 3.476 10 10 DGCE CN(C)CCN(Cc1ccccc1)c1ccc(CO)c(Cl)c1 1931934922 DDJYMZCSGPUBBU-UHFFFAOYSA-N 318.848 3.401 10 10 DGCE CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1Nc1ccc(N)cc1 1959372849 BFNLVHSGOYBBSY-IUODEOHRSA-N 305.422 3.374 10 10 DGCE CN(C)c1ccc([C@@H](O)CCCNC(=O)OC(C)(C)C)cc1 1959570391 QUCISBKTHHOEQI-HNNXBMFYSA-N 308.422 3.091 10 10 DGCE CC[C@H](NCC1(OC)CC1)c1cc(Br)ccc1O 1972557427 XCVWIVZWVDZYIR-LBPRGKRZSA-N 314.223 3.374 10 10 DGCE N[C@@]1(c2ccccc2O)CCN(Cc2ccccc2)C2(CC2)C1 1976698896 APRCLEQYVUTRGG-FQEVSTJZSA-N 308.425 3.375 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H]1[C@H](O)c1ccc(N(C)C)cc1 1977938389 ISVHMTQRCVXPFJ-DAXOMENPSA-N 320.433 3.041 10 10 DGCE CC1(CC[C@H](N)c2ccccc2O)CN(C(=O)OC(C)(C)C)C1 1984654424 ACTBSYYIIACWKC-AWEZNQCLSA-N 320.433 3.429 10 10 DGCE Nc1ccc(CNCCc2csc(Br)c2)cc1 2012913366 INNRQPDLEPUFTC-UHFFFAOYSA-N 311.248 3.425 10 10 DGCE CC1(C)C[C@H](CNCc2cc(Br)ccc2O)CO1 2041456569 MMWUSMCHUVMNRC-SNVBAGLBSA-N 314.223 3.059 10 10 DGCE NCc1cc(F)c(N2CC[C@@H]3CC[C@@H]3C2)cc1Br 2068256546 OZAACDSXSKVJQI-VHSXEESVSA-N 313.214 3.283 10 10 DGCE COc1ccc([C@@H](C)n2nc(CC(C)C)cc2C=O)c(O)c1 2070032506 KJSJXWBAKIGZDE-GFCCVEGCSA-N 302.374 3.218 10 10 DGCE CCNC(=O)c1cc(C(C)C)nn1[C@@H](C)c1cc(C)ccc1O 2070165154 MPGAEHZAYAJNSW-ZDUSSCGKSA-N 315.417 3.380 10 10 DGCE C[C@H](N)c1ccc(N(C)C[C@@]2(Br)CC2(F)F)cc1 2082510493 PPYFGIOTCYXRIH-CABZTGNLSA-N 319.193 3.315 10 10 DGCE C[C@H](N)c1ccc(N2CC3(CSC3)C2)cc1C(F)(F)F 2146378612 CWCKCUWUCWGGNI-VIFPVBQESA-N 302.365 3.278 10 10 DGCE O=[N+]([O-])c1cccc(Sc2ncc(CNC3CC3)s2)c1 2155330209 ITLXFIYSSAWDDU-UHFFFAOYSA-N 307.400 3.455 10 10 DGCE C[C@@H](O)c1cnc(Sc2nnc(C3CC3)n2C2CC2)s1 2159808137 VJYLYALORBXEIV-SSDOTTSWSA-N 308.432 3.151 10 10 DGCE COc1ccc(C2=CC(=Cc3ccc4c(c3)OCO4)C(=O)O2)cc1 2297315649 UPTQXKGPMPXULW-UHFFFAOYSA-N 322.316 3.405 10 10 DGCE CCn1c(NC(=O)C=Cc2ccc(O)c(O)c2)nc2ccccc21 2307987498 LOWJLFCTNCZEMT-UHFFFAOYSA-N 323.352 3.119 10 10 DGCE CCCCCOc1ccc(C=C2C(=O)N(C)N=C2C)cc1OC 2332124602 VEBMLRWIOKQUOO-UHFFFAOYSA-N 316.401 3.496 10 10 DGCE CCC1=NN(CC(C)C)C(=O)C1=Cc1cccc(OC)c1OC 2332131520 CBOLWRLLMPRGEL-UHFFFAOYSA-N 316.401 3.351 10 10 DGCE Cc1cc(CCNC(=O)c2ccncc2)c(C)n1-c1ccccc1 62576719 WJSLKBYIFQJKGE-UHFFFAOYSA-N 319.408 3.462 10 10 DGCE CCCn1cc(Br)cc1C(=O)Nc1ccc(N)cc1 63063546 AHBJUYXBVQTKRC-UHFFFAOYSA-N 322.206 3.495 10 10 DGCE Nc1ccc(OCCCN2CCC[C@H](C(F)(F)F)C2)cc1 88417038 SQBFNNVULAESMP-LBPRGKRZSA-N 302.340 3.312 10 10 DGCE CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F 116443162 GCRYKMFFQJDCCN-CHWSQXEVSA-N 317.335 3.433 10 10 DGCE CN(C)c1ccc(CNc2ncc(Cl)cc2[N+](=O)[O-])cc1 153529855 XKYSJOLHFXXYEA-UHFFFAOYSA-N 306.753 3.321 10 10 DGCE Cc1cc(O)c(O)cc1CCNC(=S)Nc1ccccc1C 170297293 IKAXDMMKLLVDRM-UHFFFAOYSA-N 316.426 3.244 10 10 DGCE COc1ccc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)cn1 183195913 DOVAXOYPZBOMPL-AWEZNQCLSA-N 313.401 3.100 10 10 DGCE Cc1ccc([C@H](C)NC2CCN(CCOC(C)C)CC2)c(O)c1 185637510 AEMWHNRRSBUYHS-INIZCTEOSA-N 320.477 3.241 10 10 DGCE CC[C@H](NC1CCN(c2ccccn2)CC1)c1ccccc1O 192709292 AXRBJVBLDUAIQW-KRWDZBQOSA-N 311.429 3.497 10 10 DGCE COC(=O)[C@](C)(NCCN=[N+]=[N-])c1cccc(Cl)c1Cl 234585376 YNMSFCFCALPYPE-GFCCVEGCSA-N 317.176 3.282 10 10 DGCE Cc1ccc(O)c(CNC[C@H]2CCCN2Cc2ccccc2)c1 237761834 RZRRNKVDVWJWOT-LJQANCHMSA-N 310.441 3.455 10 10 DGCE COc1cccc2c1N(C(=O)/C=C\c1cncc(C)c1)CCC2 255024106 BGHGARFOZCLSAD-HJWRWDBZSA-N 308.381 3.391 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H](N)c1cc2ccccc2cc1O 309970989 JDIRSVFSTLXFLN-CQSZACIVSA-N 302.374 3.070 10 10 DGCE Cc1cc(N2CC[C@H](COCc3ccccc3)C2)ccc1CN 383908473 PHVACVSNPXEYEV-SFHVURJKSA-N 310.441 3.497 10 10 DGCE C[C@H](NCc1ccn(Cc2ccccc2)n1)c1c(O)cccc1O 389970088 SQSKVHKKXLLEBO-AWEZNQCLSA-N 323.396 3.193 10 10 DGCE Nc1ccc(CNC(=O)Nc2ccc(Br)cc2)cc1 398449961 GOFHRWIQIZDTJL-UHFFFAOYSA-N 320.190 3.353 10 10 DGCE Cc1cc(S(=O)(=O)N2CCC[C@H]2CN=[N+]=[N-])sc1Cl 703194049 UBZWQJGRICKSLY-QMMMGPOBSA-N 320.827 3.173 10 10 DGCE CC[C@@H](C)[C@@H](N)c1cc([N+](=O)[O-])cc(Br)c1O 725437191 ARCAAOUKPPKDLK-LHLIQPBNSA-N 303.156 3.109 10 10 DGCE CC[C@@H]1C[C@H](C)CN1c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] 745975220 FUNPXOASAJNQBQ-SKVWCYETSA-N 318.373 3.406 10 10 DGCE C[C@H](C[C@@H]1CCOC1)NCc1cc(Br)ccc1O 759834989 ABIUPQXPLBBUQV-MNOVXSKESA-N 314.223 3.059 10 10 DGCE CCN(C)c1ccc(CN2CCC[C@H]([C@H]3CCOC3)C2)cc1 773811172 WWOGFCBDMXVSPC-ROUUACIJSA-N 302.462 3.391 10 10 DGCE CCN(CC)c1ccc(/C=C/c2ncncc2C(=O)OC)cc1 790610173 SVZCDZCOZKVTAE-DHZHZOJOSA-N 311.385 3.280 10 10 DGCE CCN(CC)c1ccc(CNC(=O)N2[C@@H](C)C[C@@H]2C)cc1F 792079280 IYMPVRZKZLJVSL-STQMWFEESA-N 307.413 3.364 10 10 DGCE COc1ccc(N2CCN(c3nccc(C)c3Cl)CC2)cc1 804321031 BBYZUMUNADCAGD-UHFFFAOYSA-N 317.820 3.379 10 10 DGCE CCC1(C(=O)NCc2cc(Br)ccc2O)CCC1 804734641 UPZTYLCHEVIWBW-UHFFFAOYSA-N 312.207 3.351 10 10 DGCE CC[C@H](NCC[C@H](C)[S@](C)=O)c1cccc(Cl)c1O 806147980 BRPSNXCNBWVZDV-JXBWDGJFSA-N 303.855 3.243 10 10 DGCE c1ccc(CN(Cc2ccc(N3CCOCC3)cc2)C2CC2)nc1 809764141 SXIIFVCMGIOJND-UHFFFAOYSA-N 323.440 3.083 10 10 DGCE CCN(CC)c1ccc(CN2CCC[C@@H](C)[C@@H]2C(=O)O)cc1 818631644 MBZGLEMQJZAWCP-RHSMWYFYSA-N 304.434 3.218 10 10 DGCE CCN(CC)c1ccc(CNC(=O)C[C@@H](C)[C@H]2CCCO2)cc1 822608832 YNVCLGTVEADRSP-CRAIPNDOSA-N 318.461 3.354 10 10 DGCE CN(C)c1ccc(/C=C/CNC2CCN(CC3CC3)CC2)cc1 835036372 PTUZUTQWNOBVBZ-ONEGZZNKSA-N 313.489 3.230 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@@H]2CCCc3c2cnn3C)cc1 835036381 PBGNKMOZLPTHEP-OOFWQKGWSA-N 310.445 3.167 10 10 DGCE CN(C)c1ccc(CN2C[C@@H]3C[C@H]2CS3)c(C(F)(F)F)c1 839191647 IWHUEBQWQQBNOM-STQMWFEESA-N 316.392 3.461 10 10 DGCE CC(C)(C)C[C@@H]1CCCN1C(=O)NCCc1ccc(N)cc1 841957207 PJVJDCUUUPJFKI-INIZCTEOSA-N 303.450 3.422 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@H](C)C3CCSCC3)C2)cc1 850486822 DHBLNYXVFKTFAJ-GDBMZVCRSA-N 320.502 3.395 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C(C)C)C2CC2)c1 852649643 RDCLKFLHFFQNHR-MEDUHNTESA-N 306.406 3.196 10 10 DGCE Cc1cc(O)c(CN2C[C@@]34CCCC[C@]3(COC4)C2)cc1C 853624095 MKNXKUGURHRWRU-RTBURBONSA-N 301.430 3.402 10 10 DGCE COC(=O)Cc1ccc(CNCc2ccc(OC)c(C)c2)cc1 862448200 VJOQVBXCGJXAAY-UHFFFAOYSA-N 313.397 3.009 10 10 DGCE COC(=O)C1=CC[C@H](NCc2cc(Cl)cc(Cl)c2O)C1 862465671 SNTQPBLNJJSPFH-NSHDSACASA-N 316.184 3.050 10 10 DGCE O=C(CCCOCc1ccccc1)N1Cc2cccc(O)c2C1 871201167 RAAYDKGAEMDXPA-UHFFFAOYSA-N 311.381 3.231 10 10 DGCE CC[C@H](NCCc1cc(C)n(C)n1)c1cc(Cl)ccc1O 926912187 UNELXVKSZINLMU-HNNXBMFYSA-N 307.825 3.371 10 10 DGCE C[C@]12CCCC[C@H]1CN2Cc1ccc(N2CCOCC2)cc1 931330833 BSSNTIYNMCZHIL-HKUYNNGSSA-N 300.446 3.288 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 1135797915 WINPHICLVGYMON-RRFJBIMHSA-N 303.402 3.115 10 10 DGCE C/C(=C\C(=O)NCc1ccc2cccnc2c1O)c1ccco1 1142731324 UMWOSMBIIBKSRK-ZRDIBKRKSA-N 308.337 3.253 10 10 DGCE O=C(C[C@H]1Cc2ccccc2O1)NCc1cc(Cl)ccc1O 1146231239 CZTKNPJQKPKXNT-CQSZACIVSA-N 317.772 3.056 10 10 DGCE CC(=O)c1ccc(C(=O)NCc2cc(Cl)ccc2O)c(F)c1 1165508710 UWUPCXAFAFGKCB-UHFFFAOYSA-N 321.735 3.317 10 10 DGCE CC(C)OC(=O)C[C@@H](NCc1ccc(N(C)C)cc1)C(C)C 1171608471 QINRHIGGFSWDIX-QGZVFWFLSA-N 306.450 3.209 10 10 DGCE Cc1cc(O)c(CNCCC(=O)N2CCC[C@@H](C)C2)c(Cl)c1 1325582656 SQRNKSLFHJZHPA-GFCCVEGCSA-N 324.852 3.092 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@H](C)O[C@H]2C)cc1F 1443764440 AQYYCGKOCXJIBM-KCQAQPDRSA-N 322.424 3.102 10 10 DGCE Cc1cnc(C(=O)NCc2c(O)ccc3c2CCCC3)cc1C 1465958736 SSBYJRBPSXAOEG-UHFFFAOYSA-N 310.397 3.213 10 10 DGCE Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)/C=C/c1cccnc1C)CC2 1526959660 VSBSRCRGKNBCNS-AATRIKPKSA-N 323.352 3.209 10 10 DGCE COc1ccc(/C=C\C(=O)NCc2cc(Cl)ccc2O)cc1 1628681078 UPHYOCIBQOENHX-WTKPLQERSA-N 317.772 3.384 10 10 DGCE CN(Cc1ccccc1O)C(=O)Cc1cccc2ncccc12 1629954907 JSOFGOOMOCODMT-UHFFFAOYSA-N 306.365 3.142 10 10 DGCE O=C(/C=C\c1ccc(O)cc1)NCc1cccc(Cl)c1O 1640404828 IAFBEUFSCWGVPO-TWGQIWQCSA-N 303.745 3.081 10 10 DGCE Cc1ccc(C(=O)Nc2nnc(CCC(C)C)s2)c(O)c1O 1640420241 VVRSMOOZLUDXCB-UHFFFAOYSA-N 321.402 3.099 10 10 DGCE COC(=O)c1cc(OC[C@@H]2CC[C@@H]3C[C@H]3C2)ccc1N(C)C 1641368747 TYBISABBDXSEKC-MGPQQGTHSA-N 303.402 3.354 10 10 DGCE Cc1nc(CC(=O)NCc2c(O)ccc3ccccc23)cs1 1652705931 QZKDODKMCDAIGP-UHFFFAOYSA-N 312.394 3.169 10 10 DGCE COc1cc(N2CCC(OC(C)C)CC2)c([N+](=O)[O-])cc1OC 1655195312 FYPKVJLELUZEOO-UHFFFAOYSA-N 324.377 3.006 10 10 DGCE COc1ccc(N2N=C(C)/C(=C\c3ccc(O)cc3)C2=O)cc1 1865658946 WILZKDFCWQEYCV-GZTJUZNOSA-N 308.337 3.207 10 10 DGCE Nc1ccc(Cc2ccc(NC(=O)CCCCCO)cc2)cc1 1866012475 VIGQKKNAHWNDLR-UHFFFAOYSA-N 312.413 3.351 10 10 DGCE c1ccc(COc2ccc(N3CC[C@@H](C4CNC4)C3)cc2)cc1 1899860303 FZNLVDNYEDTLQI-QGZVFWFLSA-N 308.425 3.311 10 10 DGCE C[C@H](C(=O)O)N(Cc1ccccc1)Cc1cc(F)cc(F)c1O 1902397106 MVLXRXWMNPMTKW-LLVKDONJSA-N 321.323 3.146 10 10 DGCE CC(C)(O)CN(Cc1ccccc1)c1ccc(CN)cc1F 1915403420 AWNXZJFVVOPVDL-UHFFFAOYSA-N 302.393 3.062 10 10 DGCE Cc1cccc([C@@H]2[C@H](N)CCCN2C(=O)OC(C)(C)C)c1O 1952606380 DIQMWSQNNUOGLT-ZIAGYGMSSA-N 306.406 3.100 10 10 DGCE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](Nc2ccc(N)cc2)C1 1959365025 DRUKGENRSSRTJR-SWLSCSKDSA-N 305.422 3.374 10 10 DGCE CCCN(CCN=[N+]=[N-])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1962297754 AGZOCVUBEQEQIW-ZDUSSCGKSA-N 311.430 3.408 10 10 DGCE CN(C[C@H](N)c1ccc(N2CCCC2)cc1)C(=O)OC(C)(C)C 1977941061 JDUHOPKTLNUSNJ-INIZCTEOSA-N 319.449 3.154 10 10 DGCE Oc1cccc(Br)c1CNC[C@H]1CCC1(F)F 2011540298 LFTFOGITZFIOTA-MRVPVSSYSA-N 306.150 3.290 10 10 DGCE C[C@H](CNCc1c(O)cccc1Br)OC(C)(C)C 2072115721 SCILTALOSKUHHZ-SNVBAGLBSA-N 316.239 3.448 10 10 DGCE COc1cccc(Cn2nc(C3CCC3)c(C(F)F)c2N)c1O 2079716663 GQZBBWKDJBKMAP-UHFFFAOYSA-N 323.343 3.433 10 10 DGCE CCc1nn([C@H](c2cc(C)c(C)cc2O)C(C)C)c(N)c1CO 2079950736 JGGUMWBZLVKPER-KRWDZBQOSA-N 317.433 3.088 10 10 DGCE COc1cc(N2CCC(Br)=C(C)C2)ccc1CN 2084005250 OBNWBDMJFRADRL-UHFFFAOYSA-N 311.223 3.033 10 10 DGCE CN(Cc1csc(C(F)(F)F)n1)c1ccc(CO)cc1 2188719224 IFCOKTLXMCKYRD-UHFFFAOYSA-N 302.321 3.291 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCN(Cc2ncsc2Br)C1 2210633505 CIARBFPMLVRECA-ZETCQYMHSA-N 302.201 3.038 10 10 DGCE COc1ccc(Br)c(CN[C@]23CCC[C@H]2C3)c1O 2220462919 STHTVPGEQZFXGE-XPTSAGLGSA-N 312.207 3.196 10 10 DGCE CSCCCN1C(=O)C(=Cc2nccs2)SC1=S 2294821406 YFEKAPKKBZWWAX-UHFFFAOYSA-N 316.498 3.097 10 10 DGCE Cc1cc(C)c2c(c1)CCN(C(=O)C=Cc1ccc(O)c(O)c1)C2 2310361628 LDMQXWIIBRVSDN-UHFFFAOYSA-N 323.392 3.313 10 10 DGCE Cc1ccc(CN2C[C@@H](C)OC[C@H]2C)c(O)c1Br 2327579471 ZVWQOWSUPQAUHP-GHMZBOCLSA-N 314.223 3.072 10 10 DGCE Cc1ccc(CNC(=O)OC2CCC2)c(O)c1Br 2327800183 HGKZLNIPBVWVJW-UHFFFAOYSA-N 314.179 3.242 10 10 DGCE CC1=NN(Cc2ccccc2)C(=O)C1=Cc1ccccc1C(=O)O 2332131939 WJOGPZVDHASYAM-UHFFFAOYSA-N 320.348 3.187 10 10 DGCE CN(c1ccc(CN)c(C2CC2)c1)C1CSCCSC1 2364573756 GEUFYSWXDQAOQO-UHFFFAOYSA-N 308.516 3.308 10 10 DGCE Nc1ccc(O)c(CNC(=O)c2cc(Cl)ccc2Cl)c1 36737503 IUFZEQYSKBWLKR-UHFFFAOYSA-N 311.168 3.211 10 10 DGCE N[C@H](c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(F)(F)F 72196005 BQBVXWFRWBCFSA-GFCCVEGCSA-N 303.284 3.147 10 10 DGCE CCN[C@@]1(C(=O)OCC)CCC[C@@H](Sc2nccs2)C1 93778683 AWJVCMKIWAIKFZ-RISCZKNCSA-N 314.476 3.089 10 10 DGCE CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F 116443158 GCRYKMFFQJDCCN-QWHCGFSZSA-N 317.335 3.433 10 10 DGCE CCO[C@H]1CCCN(c2ccc(/C=C/C(=O)O)cc2Cl)C1 164363649 IUQKLMVGXAZOBH-CFNZNRNTSA-N 309.793 3.443 10 10 DGCE Cc1cc(NS(=O)(=O)CCC(F)(F)F)c(C)c(C)c1O 187058682 AYIGHABIFHZYOS-UHFFFAOYSA-N 311.325 3.012 10 10 DGCE Cc1cc(N(C)Cc2scnc2C)ccc1/C=C\C(=O)O 216029701 XSJRZELMBFNDMX-ALCCZGGFSA-N 302.399 3.494 10 10 DGCE CCCCN(CCO)c1ccc([C@H](C)N)c(Br)c1 232979100 QAFUQPXHVBPVBD-NSHDSACASA-N 315.255 3.068 10 10 DGCE Cc1cc(N(CCO)CCO)ccc1N=Nc1ccc(F)cc1 254313401 YFDHPBRBUPSNTQ-UHFFFAOYSA-N 317.364 3.341 10 10 DGCE CCc1noc(C)c1CNCc1cc(Cl)cc(OC)c1O 293540324 CTKSWTOEJYJLQB-UHFFFAOYSA-N 310.781 3.203 10 10 DGCE Cc1cc(Cl)cc(CNC2CC(N3CCCCC3)C2)c1O 373466332 NYHOTVKQDLUYCW-UHFFFAOYSA-N 308.853 3.461 10 10 DGCE COC[C@@H](C)CN(C)c1ccc([C@@H](C)N)cc1Br 386323992 LCFRBOUNIAWFCN-WDEREUQCSA-N 315.255 3.188 10 10 DGCE CNCc1ccc(N2CC[C@H](C3CC3)C2)cc1Br 400263784 ZYYMJQYLCBBOSU-ZDUSSCGKSA-N 309.251 3.405 10 10 DGCE O=C(/C=C/c1cnccn1)N1CC2(CCC2)c2c(F)cccc21 491347904 DXMCNCGENCQTLK-AATRIKPKSA-N 309.344 3.097 10 10 DGCE COc1ccc(CNCc2ccncc2Br)cc1C 686555019 KCJBKSDMZHFXQD-UHFFFAOYSA-N 321.218 3.451 10 10 DGCE Cc1ccc(O)c(CNC2(CNC(=O)OC(C)(C)C)CCC2)c1 705605076 DRGFEECMVNEWAB-UHFFFAOYSA-N 320.433 3.238 10 10 DGCE C[C@@H]1CC[C@H](N(C)Cc2c(O)cccc2Br)CO1 707140852 UGQBTPJOUMCDPN-MNOVXSKESA-N 314.223 3.154 10 10 DGCE CCNCc1ccc(N2C[C@H](F)[C@@H](F)C2)cc1Br 714709816 UOAOFTOAIDZPOR-STQMWFEESA-N 319.193 3.055 10 10 DGCE CCN(CC)CC1CCN(Cc2cc3c(cc2O)CCC3)CC1 738070179 CZGBRGODPMGCIH-UHFFFAOYSA-N 316.489 3.435 10 10 DGCE COc1cccc(O)c1CN[C@H](C)[C@@H]1Oc2ccccc2[C@@H]1C 773402829 UDIPOUPVONBSPW-XEKQOVJPSA-N 313.397 3.444 10 10 DGCE Fc1ccc(NC(=S)NCc2ccc(Cl)cn2)c(F)c1 776194723 MVBZWKPROSTGMQ-UHFFFAOYSA-N 313.760 3.500 10 10 DGCE COc1ccc(CNc2ncnc3c(C)csc23)c(O)c1 795285539 RALRYGVIDLQZLD-UHFFFAOYSA-N 301.371 3.326 10 10 DGCE CC1(C(=O)NCc2cc(Br)ccc2O)C[C@@H]2C[C@H]2C1 816653704 DUZAOWFZGTXCGC-UWVGGRQHSA-N 324.218 3.207 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)CC(F)(F)F 831931947 VUNFLMJYSVJLGM-VIFPVBQESA-N 319.323 3.124 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCC[C@]3(CCOC3)C2)cc1 835054896 MYRQVTMJTXGGFD-JUGMSXHOSA-N 300.446 3.268 10 10 DGCE Cc1cc(N(C)C)ccc1CN1CCC[C@H]([C@@H]2CCOC2)C1 840920817 JYWIZTZWFKFXNW-ZWKOTPCHSA-N 302.462 3.310 10 10 DGCE CCCN(CCC)c1ccc(CNCC[C@@H]2CCNC2)cc1 841035494 HJYQXRJRICGUAF-GOSISDBHSA-N 303.494 3.402 10 10 DGCE C[C@@H]1CN(C(=O)c2cccc(O)c2O)CCc2ccc(F)cc21 846618329 WIPPESFIGSVDIY-LLVKDONJSA-N 315.344 3.039 10 10 DGCE C[C@@H](NC[C@H]1CCC2(CCCC2)O1)c1cc([N+](=O)[O-])ccc1O 848570266 JSWJMTUUYVJOOT-TZMCWYRMSA-N 320.389 3.443 10 10 DGCE COc1ccc(N2CCC(NC[C@H]3CCOC3(C)C)CC2)cc1 850408737 DNBWOTRTJUOEOJ-OAHLLOKOSA-N 318.461 3.069 10 10 DGCE C[C@H](N[C@@H](CO)C1CCC1)c1ccc(N2CCCCC2)cc1 850486317 AREPDVXMEGKLHN-KXBFYZLASA-N 302.462 3.489 10 10 DGCE CCCCN(Cc1ccccc1O)C[C@H](OC)[C@@H]1CCOC1 852017970 IGAGRPNJRWPKLW-AEFFLSMTSA-N 307.434 3.046 10 10 DGCE C[C@H](NC(=O)N[C@@H]1CCCC12CC2)c1ccc(N(C)C)cc1 868515125 IZVYEHSJBUDISM-XJKSGUPXSA-N 301.434 3.446 10 10 DGCE O=C(NCc1cccc(Cl)c1O)N[C@H](C1CCC1)C1CC1 895289569 YRUCNGJWOHUDLF-CQSZACIVSA-N 308.809 3.424 10 10 DGCE Cc1ccc([C@H](C)N[C@H]2CCCN3CCSC[C@H]23)c(O)c1C 903272489 UYLOVKYGPWXETF-BHYGNILZSA-N 320.502 3.239 10 10 DGCE CCN(CC)c1ccc(CN[C@@H]2C[C@H]3CC[C@@H](N3)[C@@H]2C)cc1 925480614 MVALCFPPKBTSSH-RGIVZKHGSA-N 301.478 3.151 10 10 DGCE c1cc(N2CCCC2)ccc1CNC[C@H]1CC[C@H]2C[C@H]1CO2 1119982349 IWQSEXIRFXABGV-AOIWGVFYSA-N 300.446 3.192 10 10 DGCE C/C(=C\c1ccccn1)C(=O)NCc1ccc2cccnc2c1O 1162612240 FKOONDDDQGCMAU-ACCUITESSA-N 319.364 3.055 10 10 DGCE CCN(C(=O)Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccsc1 1448124447 QHZCHIBUSMLCTA-GFCCVEGCSA-N 319.426 3.182 10 10 DGCE CCc1c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cnn1CC 1523200594 JUPCGRFGQMUGHZ-CYBMUJFWSA-N 314.433 3.022 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)COC1CCCC1 1531695131 ZWEWCKNEJDLRBL-UHFFFAOYSA-N 316.445 3.204 10 10 DGCE Cc1ccc(CCNC(=O)c2cc3cc(O)c(O)cc3s2)o1 1540956990 WXZXMEYCRXVRJZ-UHFFFAOYSA-N 317.366 3.186 10 10 DGCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H]2C[C@H]2C2CC2)c1 1568228905 HREOTBIRZMIHMG-RBUKOAKNSA-N 322.408 3.435 10 10 DGCE Cc1ccc2c(CCC(=O)NCc3c(O)cccc3O)c[nH]c2c1 1597573796 HBKHGSPGTDBLAI-UHFFFAOYSA-N 324.380 3.137 10 10 DGCE COc1cccc(CN[C@@H]2CCC[C@@H]2Cc2cc(C)no2)c1O 1615852547 QAIORNXVGJQYOO-CZUORRHYSA-N 316.401 3.198 10 10 DGCE C[C@@H](NC(=O)c1cc(Cl)cc(F)c1N)c1ccccc1O 1632246386 GENKAUSGQGMPHB-MRVPVSSYSA-N 308.740 3.258 10 10 DGCE CCOCCCN1C(=O)/C(=C\c2cccc(O)c2)SC1=S 1858590149 YWJLAICJBFEBFS-JLHYYAGUSA-N 323.439 3.020 10 10 DGCE COc1ccc(OCCN=NNc2ccc3c(c2)OCO3)cc1 1860490290 ZYHYWVYYXCQQFE-UHFFFAOYSA-N 315.329 3.282 10 10 DGCE CCC1=NN(CC(C)C)C(=O)/C1=C/c1ccc(OC)cc1OC 1865678801 FIUWKKRSERTTNB-OQLLNIDSSA-N 316.401 3.351 10 10 DGCE [N-]=[N+]=N[C@H]1CCN(C(=O)c2cc(Br)ccc2F)C1 1912181509 OUGGVIOTQHLOGU-QMMMGPOBSA-N 313.130 3.113 10 10 DGCE [N-]=[N+]=NCC1CCN(C(=O)c2ccc(Br)nc2)CC1 1912199480 SUNVXHITHNJBOF-UHFFFAOYSA-N 324.182 3.007 10 10 DGCE CC[C@@](C)(O)CN(Cc1ccccc1)c1ccc(CN)cc1F 1915167436 VWZPGESHBVSOOZ-LJQANCHMSA-N 316.420 3.452 10 10 DGCE Oc1ccc(Br)cc1CNCc1conc1C1CC1 1967736066 KCXBJJNWDKRJJV-UHFFFAOYSA-N 323.190 3.310 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC1C[C@@H]2COC[C@H]2C1 1967786297 DPKSFKXTFNYHGI-NXEZZACHSA-N 302.201 3.214 10 10 DGCE COc1ccc(Br)c(CN[C@@H](C)C2(F)CC2)c1O 1971988883 RMFGSAYBNKTOIK-QMMMGPOBSA-N 318.186 3.144 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1COCCC1(F)F 1972758347 QWSYNFKNYJXISK-SNVBAGLBSA-N 312.143 3.213 10 10 DGCE Cc1cccc(O)c1CNC[C@H](NC(=O)OC(C)(C)C)C(C)C 1976875655 MUSUKRBGRBEVAD-HNNXBMFYSA-N 322.449 3.340 10 10 DGCE CC1(C)CSCCN1c1ccc(CN)c(Br)c1 2004176015 AAVAXQWPDFQLLR-UHFFFAOYSA-N 315.280 3.240 10 10 DGCE CO[C@H]1CC[C@@H](N(C)Cc2c(O)cccc2Br)C1 2067116398 ZYQHWVBPFVBMGD-MNOVXSKESA-N 314.223 3.154 10 10 DGCE Cc1cc(O)c([C@H](C2CCC2)n2nc(C)c(C=O)c2N)cc1C 2079932023 ARCFOQJHBPJTSW-KRWDZBQOSA-N 313.401 3.298 10 10 DGCE CN[C@H](c1ccc(N(C)C)cc1)c1ccncc1Br 2106797158 XWUIHMPINCPYRA-OAHLLOKOSA-N 320.234 3.219 10 10 DGCE C[C@H](O)c1ccc(N(C)Cc2cccn2C)c(Br)c1 2114546351 RRUCENMODNAJTD-NSHDSACASA-N 323.234 3.477 10 10 DGCE CC[C@@H]1[C@H](Sc2nccs2)CC[C@]1(CO)NC(C)C 2122619572 VFNXKFHFESKKIT-YRGRVCCFSA-N 300.493 3.153 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@@H]1C[C@H]2O[C@H]1[C@H]1C[C@H]12 2144067081 ZTQRYHLTHHBGFC-WGGGYHPKSA-N 314.212 3.212 10 10 DGCE CCCN[C@@](CSc1nccs1)(CC1(C)CC1)C(=O)O 2207943091 YHSXRLZJFSZYAR-CQSZACIVSA-N 314.476 3.248 10 10 DGCE CCCN(C[C@@H](C)O)c1ccc([C@@H](C)O)cc1Br 2259660004 KSHIKWGVOHHDHO-GHMZBOCLSA-N 316.239 3.100 10 10 DGCE O=C1NC(=S)SC1=Cc1cc(C(F)(F)F)ccc1F 2297555875 HKUFAQZZHBRPMH-UHFFFAOYSA-N 307.293 3.333 10 10 DGCE CCS(=O)(CC)=NCc1ccc(C)c(Br)c1O 2307470195 HNFZAYRVQXXDQU-UHFFFAOYSA-N 320.252 3.471 10 10 DGCE Cc1ccc(CNCc2cncs2)c(O)c1Br 2307478111 TXBLXJHJBFPIAM-UHFFFAOYSA-N 313.220 3.209 10 10 DGCE CCN(C(=O)C=Cc1ccc(O)c(O)c1)[C@H](C)c1cccnc1 2308001361 BCMHVRHUOKYCLN-CYBMUJFWSA-N 312.369 3.116 10 10 DGCE Cc1ccc(CN[C@@]2(C)CCCOC2)c(O)c1Br 2327623417 HHCKQPSSOCEISH-AWEZNQCLSA-N 314.223 3.122 10 10 DGCE C[C@H](NCc1ncc(C(F)F)s1)c1c(O)cccc1O 2369601436 AJGLTTDXDBWSCJ-ZETCQYMHSA-N 300.330 3.343 10 10 DGCE COc1ccc(C2=NN[C@@H](c3ccccc3Cl)C2)c(O)c1 8472980 ISCCXJHZBXZIOO-CQSZACIVSA-N 302.761 3.493 10 10 DGCE Oc1ccccc1CN(Cc1ccccn1)Cc1ccccn1 38856313 ZHCPSCUNNDGMSS-UHFFFAOYSA-N 305.381 3.385 10 10 DGCE Nc1ccc(CC[S@](=O)c2cccc(Br)c2)cc1 55308931 KRNBSPKTZMHSDY-GOSISDBHSA-N 324.243 3.382 10 10 DGCE CCN(c1cc2c(cc1Cl)[C@@H](NC)C(=O)N2)C1CCCC1 92750438 ZEHUVYXQTANMER-OAHLLOKOSA-N 307.825 3.322 10 10 DGCE CCN[C@@H]1C(=O)Nc2cc(N(C)[C@@H](C)C(C)C)c(Cl)cc21 92750506 QEZRYDXCBIQLMJ-BONVTDFDSA-N 309.841 3.423 10 10 DGCE COc1ccc(N2CC[C@H](N)[C@@H](C)[C@H]2C)cc1Br 93036024 CTOQYXRMXQSAHJ-CWSCBRNRSA-N 313.239 3.020 10 10 DGCE CC(C)CC[C@H](N)c1ccc(I)cc1O 95770495 DUZNQCDFEZQGGV-NSHDSACASA-N 319.186 3.433 10 10 DGCE COc1ccc(N(C)CC(=O)N[C@@H](C)c2ccccc2)cc1F 121756046 BXWIMPVLOIQWGN-ZDUSSCGKSA-N 316.376 3.148 10 10 DGCE COC[C@H](N[C@@H](C)c1cc(OC)ccc1O)c1ccccc1 186034576 OKPUNASCMZQKHG-GUYCJALGSA-N 301.386 3.439 10 10 DGCE CO[C@H]1CC[C@H](NC(=O)c2cc(C)n(-c3ccccc3)c2C)C1 189178439 MCGWAHCNVSDPEN-RDJZCZTQSA-N 312.413 3.391 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1CC12CCOCC2 395642287 LIKIENJQIUIYNI-GFCCVEGCSA-N 302.201 3.358 10 10 DGCE Cc1ccc([C@@H]2CN(CCOc3ccc(N)cc3)C(=O)O2)cc1 585887705 NNAINUWHZDEVTD-KRWDZBQOSA-N 312.369 3.150 10 10 DGCE C[C@@H](O)c1ccc(N(CCO)C(C)(C)C)c(Br)c1 691101666 OAJZJJXJURIPKI-SNVBAGLBSA-N 316.239 3.100 10 10 DGCE Oc1c(Br)cc(Cl)cc1CNn1cccc1 708156717 IYYXLQOFTMNQIE-UHFFFAOYSA-N 301.571 3.353 10 10 DGCE O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1C[C@H]2CC[C@H]1C2 740918914 VBKASCVBCLLHKS-XYJFISCASA-N 311.429 3.051 10 10 DGCE CC[C@H](CNCc1ccc(N(CC)CC)c(F)c1)CC(=O)O 756311747 WJKSSYDCHQFZFF-ZDUSSCGKSA-N 310.413 3.262 10 10 DGCE COc1ccc(O)c([C@H](C)NCCC[C@@H]2CCCC[C@H]2O)c1 756761993 WOFLTMWNVILBSH-GRDNDAEWSA-N 307.434 3.383 10 10 DGCE CC(C)[C@@H](C)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 773145897 NTVKOJVDAURQAF-QGZVFWFLSA-N 315.505 3.353 10 10 DGCE COc1ccc(CNC(=O)/C=C(/C)c2cccc(F)c2)c(O)c1 794387459 ILFFATDUFGLHFT-WQLSENKSSA-N 315.344 3.260 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)C[C@H]1OCc2ccccc21 846876390 REQHMIYYQRNXNA-LJQANCHMSA-N 324.424 3.339 10 10 DGCE C[C@H]1CN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC[C@@H](C)O1 852261287 OZBPTZNTHYKYEA-ILXRZTDVSA-N 319.449 3.023 10 10 DGCE CCN(C)c1ccc(CN2[C@H](C)CC(C(=O)OC)C[C@H]2C)cc1 860190996 YUKAYZZGROLOBV-HUUCEWRRSA-N 318.461 3.305 10 10 DGCE CCOC(=O)C1=CC[C@@H](NC/C=C/c2ccc(N(C)C)cc2)C1 862489555 PDHKMQYUOPDXNS-FUTAKVPZSA-N 314.429 3.007 10 10 DGCE C[C@H](NC(=O)N[C@@H]1C[C@@H]1Cc1ccccc1)c1ccccc1O 868309316 UBJPAHOYOYCGHS-JLJPHGGASA-N 310.397 3.384 10 10 DGCE CCN(C)c1ccc([C@@H](C)NC[C@@]2(OC)CCSC2)cc1 903309484 FCSLMQQQTUDWDJ-PBHICJAKSA-N 308.491 3.315 10 10 DGCE COC(C)(C)[C@H](C)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 903331826 NZQVYTYMWLVZJM-KBPBESRZSA-N 324.440 3.126 10 10 DGCE Cn1nccc1[C@H]1CCCN1Cc1cc2c(cc1O)CCCC2 905734053 BDEIKDFEPBDPOD-GOSISDBHSA-N 311.429 3.342 10 10 DGCE CC[C@@H]1CCC[C@@]1(C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 907276180 ZTBKCDCYMNZBFK-RVZJWNSFSA-N 305.418 3.361 10 10 DGCE COc1ccc(N(C)C[C@H]2CC[C@H](C(F)(F)F)O2)cc1OC 929349134 ZYJOHDXZGYZNDH-BXUZGUMPSA-N 319.323 3.250 10 10 DGCE COc1ccc(N(CCc2ccccc2)Cc2cn(C)nn2)cc1 1191891210 FNBVRLPPXVDGJA-UHFFFAOYSA-N 322.412 3.073 10 10 DGCE O=C(Cc1nc(C2CCCC2)cs1)NCc1ccccc1O 1294924475 FDGMTVSIDZHVSD-UHFFFAOYSA-N 316.426 3.365 10 10 DGCE COc1ccc(C(=O)NCc2ccc3cccnc3c2O)cc1C 1299725206 JZQMVEDNKLOBTF-UHFFFAOYSA-N 322.364 3.187 10 10 DGCE CC/C(C)=C\C(=O)N[C@H]1C[C@H](NCc2ccc(OC)c(C)c2)C1 1490888028 GQGXIOLVEAOELG-CKUBHMITSA-N 316.445 3.097 10 10 DGCE O=C(NCc1c(O)cccc1F)c1nsc2ccccc12 1558457466 NHTPYNMZBJRBDO-UHFFFAOYSA-N 302.330 3.071 10 10 DGCE CCCC(C)(C)C(=O)N[C@H](C)CNCc1ccc(OC)c(C)c1 1569015282 FLBJTSWIMMTCCL-OAHLLOKOSA-N 320.477 3.424 10 10 DGCE C[C@@H](CSc1ccccc1)C(=O)NCc1ccc(O)cc1O 1570462281 MFULBOOZSDZLCE-LBPRGKRZSA-N 317.410 3.142 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)Nc2cc(F)cc(F)c2)cc1 1623602104 HNEJQRXFYWBMRN-UHFFFAOYSA-N 304.256 3.380 10 10 DGCE C/C(=C\c1cccc(Cl)c1)C(=O)NCc1ccc(O)cc1O 1626837749 DUNXOZJMDOYDLC-YRNVUSSQSA-N 317.772 3.471 10 10 DGCE Cc1cc(CNc2ncc(C=O)cn2)c(C)n1-c1ccccc1 1655750816 UKZDVAVJUWIRHK-UHFFFAOYSA-N 306.369 3.309 10 10 DGCE Cc1ccc(O)c(CNC(=O)NCc2cc3ccccc3[nH]2)c1 1672666983 SITLOWNHMNCQFY-UHFFFAOYSA-N 309.369 3.181 10 10 DGCE CCCC(=O)N(C)[C@@H](CNCc1ccc(OC)c(C)c1)C1CC1 1700717232 OVAVOWXFGNGHPO-KRWDZBQOSA-N 318.461 3.130 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CCNCc2ccccc2O)C1 1875499149 ODVGMAVRJHYUIT-OTVXOJSOSA-N 320.433 3.175 10 10 DGCE Nc1ccc(O[C@H]2CC[C@H]2NC(=O)OCc2ccccc2)cc1 1883783822 GHXRJVNJGDOHGQ-SJORKVTESA-N 312.369 3.105 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)c2sccc2Br)C1 1912147371 XLTOBFAEBYHJNG-ZETCQYMHSA-N 315.196 3.283 10 10 DGCE COc1ccc(CN[C@H]2CC[C@H]2OCc2ccccc2)c(O)c1 1939575794 OANIQABRTKAEPN-PKOBYXMFSA-N 313.397 3.238 10 10 DGCE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H]1c1ccc(N)cc1O 1953061441 RXOPXWJOVFAYGO-LBPRGKRZSA-N 314.332 3.292 10 10 DGCE Cc1cccc(O)c1CN[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C 1958794778 RZFYFFXQXJHFKS-QWHCGFSZSA-N 308.422 3.092 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@](CF)(Nc2ccc(N)cc2)C1 1959380758 NABMRAHQXVBHSW-INIZCTEOSA-N 309.385 3.030 10 10 DGCE C[C@H](CNCc1cccc(Br)c1O)OC(C)(C)C 1967914266 GNAIUGQKYPJGCQ-SNVBAGLBSA-N 316.239 3.448 10 10 DGCE Cc1cccc(O)c1CN[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C 1976896998 PSICHERRSKGBHE-DZGCQCFKSA-N 320.433 3.046 10 10 DGCE CCN(CC)c1ccc([C@H](O)CN(C)C(=O)OC(C)(C)C)cc1 1977933332 DBWMCOBPGQAPFE-MRXNPFEDSA-N 322.449 3.433 10 10 DGCE CC(C)(C)OC(=O)NC1[C@H]2CC[C@H]1CN(CCCCN=[N+]=[N-])C2 1982248352 TWSITNDDYPLVLK-STQMWFEESA-N 323.441 3.312 10 10 DGCE C[C@H](N[C@H]1CC[C@@H]1CNC(=O)OC(C)(C)C)c1ccccc1O 1986710109 SFPXCJZITGNYQQ-GUTXKFCHSA-N 320.433 3.346 10 10 DGCE C[C@@H]1N(c2ccc(CN)c(Br)c2)CCC1(F)F 2004608530 XWYGEHXSKABJAP-QMMMGPOBSA-N 305.166 3.142 10 10 DGCE Nc1cccc(Br)c1N[C@@H]1CC[C@H]2CC[C@H]1OC2 2027942310 BNZZOEWMNZGHSM-ZWKOPEQDSA-N 311.223 3.401 10 10 DGCE CCc1c(C)nn(Cc2cc(F)ccc2O)c1Br 2080061529 ODEOWLQFEQSSRF-UHFFFAOYSA-N 313.170 3.409 10 10 DGCE C[C@H](N)c1ccc(N2C[C@](C)(F)[C@](C)(Br)C2)cc1 2084856073 LIPTXZMBWVWICF-GDLCADMTSA-N 315.230 3.408 10 10 DGCE NCc1cc(F)c(N2CC[C@H]3CC[C@@H](C2)S3)cc1Cl 2120883640 KUNQMESDYHAKNK-MNOVXSKESA-N 300.830 3.412 10 10 DGCE Nc1cc2c(cc1N1CCC(Cl)=C(Cl)C1)CCC(=O)N2 2153621721 SFULEJMXYOIPTF-UHFFFAOYSA-N 312.200 3.053 10 10 DGCE CNCc1sc(N(C)[C@@H](C)c2ccccc2O)nc1Cl 2192598954 VKKVFMXTSCRHDK-VIFPVBQESA-N 311.838 3.419 10 10 DGCE CSc1ncc(CN2C[C@H]3CCCN3C[C@@H]2C(C)C)s1 2284675611 BTCABXGKDHEYQU-TZMCWYRMSA-N 311.520 3.170 10 10 DGCE CSc1ncc(CNc2cc(C(F)(F)F)ncc2N)s1 2284700682 VUYMIPHQXNBNMZ-UHFFFAOYSA-N 320.365 3.473 10 10 DGCE O=C1C(=Cc2ccccc2O)SC(=S)N1Cc1ccco1 2296677258 BDMPQTSHTYLPCF-UHFFFAOYSA-N 317.391 3.387 10 10 DGCE C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C=Cc1ccc(O)c(O)c1 2307987334 SRBCKDVDFHXUQJ-SNPRPXQTSA-N 301.386 3.291 10 10 DGCE Oc1ccc(Br)cc1CN[C@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21 2309578996 RNOJMAXUNVQNNH-ZPTNNJSTSA-N 308.219 3.289 10 10 DGCE CCN(CCN=[N+]=[N-])CCOc1ccc(Br)cc1 2315989109 NJLOJCOJSKHSCK-UHFFFAOYSA-N 313.199 3.460 10 10 DGCE CCc1ccc(C=C2SC(=S)N(CCN(C)C)C2=O)cc1 2323839150 OMBXVMKFRJIVEL-UHFFFAOYSA-N 320.483 3.012 10 10 DGCE CC1=NN(Cc2ccccc2)C(=O)C1=Cc1ccccc1[N+](=O)[O-] 2332143181 HBOYDCRDCKNPAE-UHFFFAOYSA-N 321.336 3.397 10 10 DGCE CN[C@@H](CC1(C)OCCO1)c1ccc(N2CCCCC2)cc1 2353353936 OWYRIMJVQSBVMP-KRWDZBQOSA-N 304.434 3.091 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)NCCc2ccsc2)c1 171734116 DEMWJWRGCLBUJA-NSHDSACASA-N 320.414 3.065 10 10 DGCE COc1ccc(CNC(=O)c2ccc(CN=[N+]=[N-])o2)c(OC)c1 1537962893 IAOCDUGPJKXCQG-UHFFFAOYSA-N 316.317 3.037 10 10 DGCE Cc1ccc(/C=C2\C(=O)NN(c3cccc(Cl)c3)C2=O)s1 33397467 IPYQERJDPXXWGU-MDWZMJQESA-N 318.785 3.171 10 10 DGCE Nc1cc(Cl)c(N2C(=O)[C@]34CCC[C@]3(C4)C2=O)c(Cl)c1 2365784587 FSPLBSXBZZDUKW-OKILXGFUSA-N 311.168 3.009 10 10 DGCE C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(F)c(F)c1 180598199 YOZXQVPICFYMKZ-KFEJWOFMSA-N 319.307 3.267 10 10 DGCE Oc1ccc(CNCc2ccccc2Br)cc1O 42419168 IVTJLFFYPQRNBD-UHFFFAOYSA-N 308.175 3.150 10 10 DGCE Cc1ccc([C@H]2CCCCN2C(=O)c2cccc(O)c2O)o1 193089055 BTTDSSMQPZYIAZ-CYBMUJFWSA-N 301.342 3.367 10 10 DGCE C[C@@H](CS(=O)(=O)Nc1ccc(O)cc1F)c1ccccc1 149452091 CGLLGIOZTXWSRT-NSHDSACASA-N 309.362 3.077 10 10 DGCE O=C(/C=C\c1ccc(N2CCOCC2)cc1)OC1(C2CC2)CC1 255668185 NWVYKCUGGINTCI-BAQGIRSFSA-N 313.397 3.022 10 10 DGCE COc1cccc(CNC(=O)/C=C\c2c(F)cccc2F)c1O 255773524 PDSKGKLTNRREMI-HJWRWDBZSA-N 319.307 3.009 10 10 DGCE CC1=NC(=O)[C@H](N=Nc2cccc(C(=O)O)c2)N1c1ccccc1 253981752 QRAKVWRIBCUSQM-OAHLLOKOSA-N 322.324 3.260 10 10 DGCE Cc1ccc(OC[C@@H](O)CNc2ccccc2OCCF)cc1 819489353 UCVYQDVWUGFTPC-HNNXBMFYSA-N 319.376 3.195 10 10 DGCE OCC1([C@H](NCc2ccc3c(c2)CCO3)c2ccncc2)CCC1 827934658 MTCUZNTUAPJVTO-LJQANCHMSA-N 324.424 3.010 10 10 DGCE C[C@H](NC(=O)C(C)(C)c1nccs1)c1ccc(N(C)C)cc1 907491108 ACIHXBJAYKRHJL-LBPRGKRZSA-N 317.458 3.364 10 10 DGCE Cc1cc(CCNC(=O)N(C)C2CC2)c(C)n1-c1ccccc1 734267273 ZLJIEKFEVTZOFQ-UHFFFAOYSA-N 311.429 3.440 10 10 DGCE CN(C/C=C\c1ccc(N(C)C)cc1)CCc1nccs1 835028157 JJXVXFFQSXHXSE-PLNGDYQASA-N 301.459 3.397 10 10 DGCE CNCc1ccccc1CNCc1cc(Cl)cc(F)c1O 844904408 LBBKZNWHCFZGHO-UHFFFAOYSA-N 308.784 3.194 10 10 DGCE COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2CCS[C@@H](C)C2)c1 927032410 MZKIGKDHMQUKIG-GMXVVIOVSA-N 309.431 3.114 10 10 DGCE CN(C)c1ccc(/C=C/CNC2([C@@H]3CCCCO3)CC2)cc1 923028393 PUYCTRVRDNYFGR-QWNKOJSDSA-N 300.446 3.457 10 10 DGCE C[C@H](NC(=O)N[C@@H](C)c1cscn1)c1ccc(N(C)C)cc1 852261390 RCFQHZKWAPMMLA-RYUDHWBXSA-N 318.446 3.331 10 10 DGCE CC1(C)OC[C@@H]2C[C@@]21NCc1ccc(N2CCCCC2)cc1 858228665 IXNNMMDLVJVINI-QFBILLFUSA-N 300.446 3.334 10 10 DGCE Cc1cc(NC(=O)NCc2ccccc2O)nn1[C@@H](C)C1CC1 752841729 VCJNBCQXKZSVEC-LBPRGKRZSA-N 314.389 3.190 10 10 DGCE CCCC[C@@H](C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855227623 ZLZKPOODRIPEDH-HUUCEWRRSA-N 304.434 3.216 10 10 DGCE CC(C)(C)c1cccc2c1OCCN2C(=O)/C=C/c1cnccn1 781642374 GULMOLLQQMXOLF-BQYQJAHWSA-N 323.396 3.213 10 10 DGCE C[C@]12CN(c3ccc(OCc4ccccc4)cc3)C[C@]1(CO)C2 1899874623 OEUFLADYAFUIRA-PMACEKPBSA-N 309.409 3.474 10 10 DGCE CCc1cccc(OCC(=O)NCc2cccc(Cl)c2O)c1 1159034638 ZAXTXPZEGJBAGL-UHFFFAOYSA-N 319.788 3.303 10 10 DGCE CC[C@H](C(=O)O)N1CC2(CCCC2)Nc2cc(OC)ccc21 76931046 ZBWQRTNZMWSVMG-CQSZACIVSA-N 304.390 3.103 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1C[C@@H]2CC[C@H]1O2 1160080788 RWPDLVWPCVHVOL-GZBFAFLISA-N 316.426 3.205 10 10 DGCE OCCC1(NCc2ccc(N3CCCC3)cc2)CCCCC1 1331074888 JPUWJTKYQOVCOX-UHFFFAOYSA-N 302.462 3.462 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)NC1C[C@@H]2[C@@H](C1)C2(F)F 1350536122 PTIANFDWBIOGQC-ZIAGYGMSSA-N 324.371 3.358 10 10 DGCE C[C@@H](Cc1ccco1)C(=O)Nc1c(Cl)ccc2nonc12 1459789527 RUBWLJQLLPAHSK-QMMMGPOBSA-N 305.721 3.287 10 10 DGCE CO[C@@H]1CC[C@H]1N(C)C(=O)c1ccc(-n2c(C)ccc2C)cc1 1539778408 SBBRCHHTSOQIEA-QZTJIDSGSA-N 312.413 3.344 10 10 DGCE COc1cc(NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)[nH]n1 1617873350 NFJVWMUEWNFNGC-UHFFFAOYSA-N 324.384 3.007 10 10 DGCE CCC(C)(C)CC(=O)NC[C@@H](C)NCc1ccc(OC)c(C)c1 1713312188 HFRLDKMECTZUHU-OAHLLOKOSA-N 320.477 3.424 10 10 DGCE Cc1cc(/C=C2/NC(=S)N(C3CCCCC3)C2=O)c(C)n1C 479224 VEJGJDWCYRCBLD-XNTDXEJSSA-N 317.458 3.032 10 10 DGCE CCOc1c(Cl)cccc1NC(=O)Cc1ccc(O)c(O)c1 1631147010 DMNPOEIVZJQSIY-UHFFFAOYSA-N 321.760 3.331 10 10 DGCE CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)/C=C\c1ccc(O)c(O)c1 1636923190 XJYIDZAVVBTVNY-VVDJSUPNSA-N 319.401 3.327 10 10 DGCE O=C(NCc1c(O)cccc1F)c1sccc1OC(F)F 1652295918 VMGQYWSIAQLEDQ-UHFFFAOYSA-N 317.288 3.124 10 10 DGCE C[C@H](NC(=O)NCc1cccc(Cl)c1O)c1cncc(F)c1 1681884411 OTTPMHUFMSJJRQ-VIFPVBQESA-N 323.755 3.140 10 10 DGCE CC[C@@H](C)CC(=O)N1CC[C@H](NCc2ccc(OC)c(C)c2)C1 1690664064 SRLGKYGMTBQYIG-PBHICJAKSA-N 318.461 3.130 10 10 DGCE CCCNCc1ccc(N(C)Cc2nccn2C)c(Cl)c1 164061062 SQCLHSXONFJGPK-UHFFFAOYSA-N 306.841 3.210 10 10 DGCE CCNCc1ccc(N(C)CCSC)c(Br)c1 233510720 AXZHVGJKFCCNHQ-UHFFFAOYSA-N 317.296 3.358 10 10 DGCE CNCc1ccc(N(C)Cc2cccnc2)c(Br)c1 234408872 HIQQKUMVJWTJQX-UHFFFAOYSA-N 320.234 3.200 10 10 DGCE Cc1ccc(O)c([C@H](CCC(=O)O)NC(=O)OC(C)(C)C)c1 1951654233 ZJTFVVRMVBVACX-LBPRGKRZSA-N 309.362 3.131 10 10 DGCE C[C@@H]1N(Cc2cc(Br)ccc2O)CCC1(F)F 2004633535 PAVOFYSIEFDELU-QMMMGPOBSA-N 306.150 3.384 10 10 DGCE CC[C@@H](O)CN(Cc1ccccc1)c1ccc2c(c1)CC[C@@H]2N 1986602659 KGXMWPQIUCCKOY-QUCCMNQESA-N 310.441 3.410 10 10 DGCE CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(N)c1ccccc1O 1987824168 FGJTWMNDCYRMKZ-CRAIPNDOSA-N 320.433 3.212 10 10 DGCE C[C@@]1(NCc2cccc(F)c2O)CCN(Cc2ccccc2)C1 405973318 WDCGUDKLOQOXCS-LJQANCHMSA-N 314.404 3.286 10 10 DGCE CCO[C@H]1CCN(c2ccc([C@H](C)O)c(Br)c2)C1 701706734 KBARNRXPCFNRRL-JQWIXIFHSA-N 314.223 3.118 10 10 DGCE COC[C@@H](C)CN(C)[C@@H](C)c1cc(Br)ccc1O 381325511 HAXSJQCWSHNNGV-QWRGUYRKSA-N 316.239 3.430 10 10 DGCE C[C@@H](N(C)c1ccc(CO)cc1F)C(F)(F)C(F)(F)F 2182450060 IACPKJXVSIACBU-SSDOTTSWSA-N 301.230 3.340 10 10 DGCE Nc1cccc(Br)c1N[C@@H]1CCC[C@@H]2OCC[C@@H]21 2042307141 DVNVMBYNLALMRX-WQAKAFBOSA-N 311.223 3.401 10 10 DGCE C[C@H](O)c1ccc(N2CC3CC(F)(C3)C2)cc1Br 2045344815 DCTPVEBOLNFDRO-IPWFMCSPSA-N 314.198 3.441 10 10 DGCE CO[C@H](CN(C)Cc1c(O)cccc1Br)C(C)C 2068249355 MWNLNJSRKJNSQE-CQSZACIVSA-N 316.239 3.258 10 10 DGCE COc1ccnc(Br)c1NCc1c(C)cccc1O 2227180023 JVPPMQYGOAKIGN-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE CC1(C)[C@@H]2C[C@H]2CN1c1ccc(CN)c(Br)c1F 2257012091 DZLBWKHDJSXXKO-VHSXEESVSA-N 313.214 3.282 10 10 DGCE C[C@@H](Nc1cnncc1Br)c1ccc(F)cc1O 2264146910 QEINWQRLCKIDPB-SSDOTTSWSA-N 312.142 3.257 10 10 DGCE CC(C)C1=NN2C(=N)C(=Cc3cccs3)C(=O)N=C2S1 2293520670 FJTVUQCYTKWYBK-UHFFFAOYSA-N 304.400 3.023 10 10 DGCE O=C1NN=C(c2ccccc2)C1=C1OC(c2ccccc2)=CS1 2297565234 HZOGXUYUINVBII-UHFFFAOYSA-N 320.373 3.494 10 10 DGCE CN(C(=O)/C=C/c1cnccn1)c1c(Cl)cccc1Cl 492325305 UNSBACKPQJVRFT-AATRIKPKSA-N 308.168 3.460 10 10 DGCE CS[C@H]1CC[C@@H]1N(C)c1ccc(CO)c(Br)c1 2307888848 YJLXKXQETLFWJI-STQMWFEESA-N 316.264 3.272 10 10 DGCE Cc1ccc(CN(C)C[C@@H]2C[C@H]2F)c(O)c1Br 2307474842 XVQZEBMVPFLHFP-WDEREUQCSA-N 302.187 3.253 10 10 DGCE Cc1ccc(CN(C)[C@H]2CO[C@H](C)C2)c(O)c1Br 2327579860 AKLFVVKBTYWJRQ-ZYHUDNBSSA-N 314.223 3.072 10 10 DGCE Cc1ccc(CN2CC(C(F)(F)F)C2)c(O)c1Br 2327609447 NNVXJVBUMRYVMD-UHFFFAOYSA-N 324.140 3.457 10 10 DGCE Cc1ccc(CNCC[C@H]2CCCO2)c(O)c1Br 2327622241 WAIOVDLWAXWAJZ-GFCCVEGCSA-N 314.223 3.122 10 10 DGCE Nc1ccc(CCCN2CCN(Cc3ccccc3)CC2)cc1 20192427 KRTMLVSRCYLHLT-UHFFFAOYSA-N 309.457 3.019 10 10 DGCE COc1ccc(Br)cc1NCc1ccc(O)cc1O 49562990 JMZYTTNSNITLNW-UHFFFAOYSA-N 324.174 3.481 10 10 DGCE CCN[C@@H](C)c1ccc(N(CCOC)CCOC)c(Cl)c1 61696375 PWTBOMBCKBPYMF-ZDUSSCGKSA-N 314.857 3.110 10 10 DGCE Fc1ccc(NC[C@H]2CCN(c3ccc4c(c3)OCO4)C2)cc1 76439640 UJFVZZQFECDUIR-CYBMUJFWSA-N 314.360 3.493 10 10 DGCE COc1ccc(N2CCN(c3ccc(Cl)cn3)CC2)cc1 90345064 HZIBYNZHXGEFEI-UHFFFAOYSA-N 303.793 3.070 10 10 DGCE CC[C@H]1SCCS[C@H]1c1noc(-c2cccc(O)c2O)n1 126888446 PDRXJLVQIJAFAN-ZYHUDNBSSA-N 324.427 3.448 10 10 DGCE COCc1cc(F)ccc1NCc1cc2c(cc1O)OCO2 185646721 RNYQDKHLVMDVEX-UHFFFAOYSA-N 305.305 3.019 10 10 DGCE Nc1ccc(NC(=O)c2ccc(F)c(Br)c2)cc1 226132435 SOWSXWWUSQWSPM-UHFFFAOYSA-N 309.138 3.423 10 10 DGCE COC(=O)[C@@](C)(NCCN=[N+]=[N-])c1cccc(Cl)c1Cl 234571761 YNMSFCFCALPYPE-LBPRGKRZSA-N 317.176 3.282 10 10 DGCE CN(C)c1ccc(CN(C[C@@H]2CCCO2)[C@H]2CCSC2)cc1 248725930 IILUOZSUKOVYMW-ROUUACIJSA-N 320.502 3.239 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)C[C@@H](O)CC(C)(C)C 292156774 MWLDZVOHWAVTGF-OAHLLOKOSA-N 307.434 3.318 10 10 DGCE COc1cc(N(C)CCC2(OC)CCC2)cc(OC)c1OC 292666014 ASKHIKNMOROFQM-UHFFFAOYSA-N 309.406 3.108 10 10 DGCE CCS[C@H]1CCC[C@H]1NCc1ccc(N2CCOCC2)cc1 319311902 HPSLZVGUKUKIGH-MSOLQXFVSA-N 320.502 3.287 10 10 DGCE Cc1ncc2c(n1)CC[C@@H](NCc1cc(Cl)cc(C)c1O)C2 367694331 QOVNKRAYSHSHLG-OAHLLOKOSA-N 317.820 3.100 10 10 DGCE C[C@@H]1O[C@H](C)C[C@@H]1N(C)Cc1cccc(Br)c1O 384984408 ZMJDGZBKWLKHGF-NRUUGDAUSA-N 314.223 3.152 10 10 DGCE O=C(/C=C\c1cnc2ccccc2n1)N1CCOc2ccccc21 490919774 RKFCXZDGPRASKJ-KTKRTIGZSA-N 317.348 3.069 10 10 DGCE Oc1cc(Br)ccc1CN1CCC(CF)CC1 691684302 VBAYRBMAGVEWAO-UHFFFAOYSA-N 302.187 3.336 10 10 DGCE Nc1ccc(C[C@@H](O)Cc2cccc(F)c2Br)cc1 696585381 UHZKJOZIZMFTMM-CYBMUJFWSA-N 324.193 3.317 10 10 DGCE O=C(NCc1ccccc1O)N[C@@H]1CCc2c(F)cccc21 726238802 IMGNIZUWJCUYML-OAHLLOKOSA-N 300.333 3.018 10 10 DGCE COc1cccc(CNC(=O)NCC[C@@H]2CCC[C@H](C)C2)c1O 745826695 CFJVFFSTMBOGRT-KBPBESRZSA-N 320.433 3.416 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)c1csc(Cl)n1 781948456 ZOUVVDSOMXYUSD-UHFFFAOYSA-N 322.817 3.311 10 10 DGCE COC(=O)c1ccc(O)c([C@H](C)NCC2(C(F)(F)F)CC2)c1 797071734 UXRBGXOQBMXECK-VIFPVBQESA-N 317.307 3.172 10 10 DGCE COc1ccc(F)c(CNCc2ccc(N(C)C)cc2C)c1 815124468 ACEMAYYYFFPCFG-UHFFFAOYSA-N 302.393 3.499 10 10 DGCE CC[C@H](N[C@H](CC)[C@H](O)C(F)F)c1cc(Cl)ccc1O 834875954 WDGYEXUAPZTVET-LOWVWBTDSA-N 307.768 3.491 10 10 DGCE CCn1nc(C)c(CNC/C=C/c2ccc(N(C)C)cc2)c1C 835038749 ZQELNTVSMHYMFY-BQYQJAHWSA-N 312.461 3.389 10 10 DGCE C[C@H](CC(F)(F)F)C(=O)NCCCSc1nccs1 837415113 WDIXBPIMEMEHBP-MRVPVSSYSA-N 312.382 3.330 10 10 DGCE CSCCCC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C 839918476 MHLUCANTXPGYBF-AWEZNQCLSA-N 308.491 3.251 10 10 DGCE Cc1cc(O)c(CN(C[C@@H]2CCC(=O)N2)C(C)C)cc1C(C)C 840187659 WDFDKKSAGCYZIR-INIZCTEOSA-N 318.461 3.313 10 10 DGCE C[C@@H]1CN(Cc2cccc(F)c2O)c2cc(F)ccc2CN1 841046458 BDLWHSVYOUSTSN-LLVKDONJSA-N 304.340 3.169 10 10 DGCE COc1cccc([C@H](C)NCCC[C@@H]2CCCC[C@@H]2O)c1O 846156911 PWPLGXOMKPXPPE-DZKIICNBSA-N 307.434 3.383 10 10 DGCE COC[C@H](CCN[C@H](C)c1cccc(C(F)(F)F)c1O)OC 850485682 MNCKLVRUPSKNPN-MNOVXSKESA-N 321.339 3.113 10 10 DGCE COc1ccc(N2CC[C@H](N[C@@H]3CCC[C@H]4C[C@@]43C)C2)cc1 850486129 GHSWOGSFENYNIN-SAKMYQHLSA-N 300.446 3.442 10 10 DGCE Cc1ccc(O)c([C@H](C)N[C@H]2CCC[C@@H]2Cc2cnn(C)c2)c1 850541152 SMIQWOOIPHODIF-LESCRADOSA-N 313.445 3.496 10 10 DGCE C[C@@H]1C[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)[C@@H](C)O1 868357431 XJQMULFTLTYFSA-XLDPMVHQSA-N 318.200 3.129 10 10 DGCE COc1cc(C)cc(CN[C@H](C2CC2)[C@@H]2CCCCO2)c1O 895182198 CBKMWBMHDLJMDG-DOTOQJQBSA-N 305.418 3.147 10 10 DGCE C[C@H](N[C@H](CO)CCc1ccccc1)c1c(O)cccc1F 903288124 KCSZSICFMCAQDJ-ZFWWWQNUSA-N 303.377 3.176 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)[C@H](F)Cc1ccccc1 1142728657 ZGKQVNDYDFLAED-MRXNPFEDSA-N 324.355 3.137 10 10 DGCE C[C@@H](OCc1ccccc1)C(=O)NCc1cc(Cl)ccc1O 1452948662 YONXFRNKZNSOFC-GFCCVEGCSA-N 319.788 3.267 10 10 DGCE Cc1ccc(C(=O)N[C@H](C)c2ccccc2O)c(N)c1Cl 1454807163 QJIPSXFEFNJHOA-SNVBAGLBSA-N 304.777 3.427 10 10 DGCE Cc1cc(C(=O)N[C@@H](C)c2ccccc2O)cc(NC2CC2)n1 1587450959 BXFQSTVGUQNKGL-LBPRGKRZSA-N 311.385 3.161 10 10 DGCE CSc1ccncc1NC(=O)c1ccc(N=NC(N)=O)cc1 1587466176 DIJYRQPTLINIPH-UHFFFAOYSA-N 315.358 3.218 10 10 DGCE CSc1ccc(CCC(=O)NCc2cccc(O)c2O)cc1 1593745051 WSTFGQYTTMRBAP-UHFFFAOYSA-N 317.410 3.069 10 10 DGCE Cn1nc(C(F)(F)F)c(C=O)c1O[C@@H]1CCCC[C@@H]1N=[N+]=[N-] 1615671850 HIZADSLWPIZMSH-DTWKUNHWSA-N 317.271 3.252 10 10 DGCE O=C(NC1(Cc2cccc(Cl)c2)CC1)c1cccc(O)c1O 1624240199 CMBNDBPCIXCHMU-UHFFFAOYSA-N 317.772 3.256 10 10 DGCE C[C@@H](NC(=O)c1cc(F)c(F)cc1N)c1ccc(N(C)C)cc1 1634448789 XZVXVSIMQWNVQZ-SNVBAGLBSA-N 319.355 3.104 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H](C)C1CC1 1637909833 WXNRZRRNZHHXFG-ZDUSSCGKSA-N 310.397 3.435 10 10 DGCE COc1cc(Cl)ccc1C(=O)NCc1cc(C)ccc1O 1645800846 WFCIXQIGGKMQMB-UHFFFAOYSA-N 305.761 3.293 10 10 DGCE Nc1ccc(OCC(=O)N(Cc2ccccc2)CC2CCC2)cc1 1946864507 CLKQUYQGVZGBHR-UHFFFAOYSA-N 324.424 3.477 10 10 DGCE CN(C)c1ccc([C@@H](N)[C@@H]2CCN(Cc3ccccc3)C2)cc1 1988156973 BYUKVIPRAXVJTN-UYAOXDASSA-N 309.457 3.275 10 10 DGCE C[C@@]1(C(F)F)C[C@H]1NCc1c(O)cccc1Br 2008235850 ISSGRQGPPZQERG-ZYHUDNBSSA-N 306.150 3.288 10 10 DGCE NCc1cc(F)c(N2CC[C@H]2C2CCC2)cc1Br 2028300150 LMIBEVKKPRZJOO-ZDUSSCGKSA-N 313.214 3.426 10 10 DGCE Cc1c(C2(C)CC2)nn(-c2ccc(O)c(O)c2)c1Br 2079787703 VQHNUYMAAZNTTK-UHFFFAOYSA-N 323.190 3.406 10 10 DGCE CCN(Cc1ccc(N)cc1)C[C@]1(Br)CC1(F)F 2082494273 QPQMXIACFVRQIX-GFCCVEGCSA-N 319.193 3.263 10 10 DGCE CCOC(=O)[C@@H](NCCN=[N+]=[N-])c1cc(C)c(Cl)s1 2109072622 FNHGQSYQBFQDIE-VIFPVBQESA-N 302.787 3.214 10 10 DGCE CCCN[C@@H]1C[C@@H](Sc2nccs2)CC[C@H]1COC 2127232713 YCVGBKSGDUSUFA-RWMBFGLXSA-N 300.493 3.419 10 10 DGCE CCN[C@@](CO)(CSc1nccs1)C1CCCCC1 2142999264 VDWBKNBZLFYLAG-AWEZNQCLSA-N 300.493 3.156 10 10 DGCE N[C@]1(c2ccc(N3CCCCC3)cc2)CCCC2(C1)OCCO2 2163129197 ZSPPIOMDIGDAOX-GOSISDBHSA-N 316.445 3.148 10 10 DGCE CO[C@H]1CN(c2ccc([C@H](C)O)c(Cl)c2)CC(F)(F)C1 2185161914 RCNWRBIMQGINMR-GXSJLCMTSA-N 305.752 3.254 10 10 DGCE CO[C@H]1CC[C@@H]1CCN(C)c1cc(Cl)c(CN)cc1F 2186880928 YHZLTYWCRLEIKB-BMIGLBTASA-N 300.805 3.189 10 10 DGCE CN(Cc1ccccc1O)c1cc(Cl)ccc1C(N)=S 2192567499 OUAJMQLZQSLTST-UHFFFAOYSA-N 306.818 3.316 10 10 DGCE CSc1ncc(CN[C@@H]2CS[C@@H](C(F)(F)F)C2)s1 2208881495 FXNKBMFWSPUELH-POYBYMJQSA-N 314.423 3.391 10 10 DGCE C[C@@H](O)c1ccc(N2CC[C@@H]3C[C@]3(F)C2)c(Br)c1 2222684288 CJEQQWRLDBTDJW-UDZFHETQSA-N 314.198 3.441 10 10 DGCE COc1cc(Cl)cc(CNc2cn(C)nc2Cl)c1O 2230785281 HLVFLYKRHNOFBF-UHFFFAOYSA-N 302.161 3.053 10 10 DGCE CN[C@@H](C)c1ccc(N2CC[C@H](OC(F)F)C2)c(Cl)c1 2239199263 YRQNCOMIPIBBTJ-ONGXEEELSA-N 304.768 3.438 10 10 DGCE Cc1cncc(C=CC(=O)NCc2ccc3c(c2)CCCN3C)c1 2302368747 NYDCLBGEUCDSEQ-UHFFFAOYSA-N 321.424 3.102 10 10 DGCE CC1CCN(N=Nc2ccc(N3CCN(C)CC3)cc2)CC1 2330217244 JNTDOZRSVKNZDF-UHFFFAOYSA-N 301.438 3.169 10 10 DGCE CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(\C)NCc1ccco1 13519744 DHANNINTTFUNTD-LFIBNONCSA-N 313.332 3.205 10 10 DGCE CN1C(=O)/C(=C/C=C\c2ccc(N(C)C)cc2)SC1=S 33921519 VKOLQFSKGYAKGA-YIDBNINZSA-N 304.440 3.140 10 10 DGCE O=C(CSc1nccs1)N[C@H]1CCCc2ccccc21 47240672 NEWHRIACAHEQEG-ZDUSSCGKSA-N 304.440 3.429 10 10 DGCE C[C@H](NC(=O)CSCc1ccc(N)cc1)c1ccccc1 58237060 VDRFPVDKIXEDMK-ZDUSSCGKSA-N 300.427 3.379 10 10 DGCE CCCNCc1cc(F)c(N(CCCO)C(C)C)c(F)c1 62713279 LYNRTWRDVLOTGK-UHFFFAOYSA-N 300.393 3.062 10 10 DGCE COc1ccc(Cn2ccc(NCc3ccccc3O)n2)cc1 189264692 VSAJXRRENZMNMH-UHFFFAOYSA-N 309.369 3.258 10 10 DGCE CC[C@H](Nc1cc(-n2cnnn2)ccc1C)c1ccccc1O 192765788 NJPHMJLUPZOZKD-HNNXBMFYSA-N 309.373 3.240 10 10 DGCE CNCc1cc(F)c(N2CCSC(C)(C)CC2)c(F)c1 231057254 KBYLPDNKDPVZOG-UHFFFAOYSA-N 300.418 3.406 10 10 DGCE COc1ccc(CNC[C@H](C)COCc2ccccc2)c(O)c1 237190204 HPNRSFFCKUFWSE-HNNXBMFYSA-N 315.413 3.343 10 10 DGCE COc1ccc(N(C)C(=O)/C=C\c2cncc(C)c2)c(OC)c1 255232205 QRLKRMILEQONRZ-YVMONPNESA-N 312.369 3.083 10 10 DGCE Cc1cc(C)c([C@@H](C)NC2CCN(C(=O)C(C)C)CC2)c(O)c1 293255400 BUHUNPMUGVNIGV-OAHLLOKOSA-N 318.461 3.307 10 10 DGCE NCc1cc(F)c(N2C[C@@H]3CCC[C@H]3C2)cc1Br 310711021 CJKXJVTZPPGVIZ-UWVGGRQHSA-N 313.214 3.283 10 10 DGCE Cc1cc(O)c([C@](C)(CC(=O)O)NC(=O)OC(C)(C)C)cc1C 687738102 JQBCDJRRZLZFNX-KRWDZBQOSA-N 323.389 3.224 10 10 DGCE C[C@@H](N)c1ccc(N2CCC[C@@H](F)C2)cc1Br 689389659 XHQYYRKRVLJAFK-NXEZZACHSA-N 301.203 3.407 10 10 DGCE COC[C@H]1CCCN1c1ccc([C@@H](C)N)cc1Br 696544529 GXEHLEIFOJLWEE-ZYHUDNBSSA-N 313.239 3.084 10 10 DGCE Cc1cc(Cl)ccc1S(=O)(=O)N(C)c1ccc(N)cc1 702087611 WTLQSZPOOOHCDM-UHFFFAOYSA-N 310.806 3.056 10 10 DGCE CCN(Cc1ccncc1Br)c1ccc(N)cc1 702864544 GCRQXKHOUWPCHB-UHFFFAOYSA-N 306.207 3.453 10 10 DGCE CCN1CCC(CCN[C@@H](C)c2cc(F)cc(F)c2O)CC1 756612046 LSNHJBHJHBWESO-LBPRGKRZSA-N 312.404 3.443 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)/C=C\c1ncccc1C 759096297 TXEGLIDGNUVMPY-KTKRTIGZSA-N 309.413 3.094 10 10 DGCE C=Cc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1 760150930 WJDKPMNTCNTDNT-UHFFFAOYSA-N 308.381 3.419 10 10 DGCE Cc1ccc(/C=C/C(=O)N2CCN(C3CC3)c3ccccc32)cn1 778259097 ZWTHJXJWZXXJHL-DHZHZOJOSA-N 319.408 3.419 10 10 DGCE Oc1cc2c(cc1CN1CCOC[C@H]1CC(F)F)CCCC2 795731636 SVESOPIVGHRVNE-OAHLLOKOSA-N 311.372 3.127 10 10 DGCE COc1ccc(O)c(CNC2CCC(OC(F)F)CC2)c1 825143040 AIUBJAJAEPJTHS-UHFFFAOYSA-N 301.333 3.041 10 10 DGCE C[C@@H]1C[C@H](NCC2(CF)CCOCC2)c2c(O)ccc(F)c21 834885727 NDRKCFFUESOEKK-YPMHNXCESA-N 311.372 3.436 10 10 DGCE Cc1cc(O)c(CN2CCC(c3ncc[nH]3)CC2)c(Cl)c1 840911877 BYCYZOKIJOQEGB-UHFFFAOYSA-N 305.809 3.457 10 10 DGCE COc1cc(Br)cc([C@@H](C)NCCSC)c1O 848513046 COEPBJKDZBAYCN-MRVPVSSYSA-N 320.252 3.177 10 10 DGCE COc1ccc(N2CC[C@H](N[C@H](C)Cc3ccoc3)C2)cc1 850486480 HRLIMUHUDFUBTM-ZBFHGGJFSA-N 300.402 3.088 10 10 DGCE Fc1cc(CNCC[C@H]2CC=CCC2)ccc1N1CCOCC1 858272546 UQVZXHGHLOEBAZ-INIZCTEOSA-N 318.436 3.498 10 10 DGCE C[C@H](N[C@H]1CC[C@@H](C)NC1)c1cccc(C(F)(F)F)c1O 863544766 ANFSPTLHSJOGBE-VWYCJHECSA-N 302.340 3.202 10 10 DGCE O=C(C[C@]12CCCC[C@H]1C2(F)F)N1Cc2cccc(O)c2C1 871206307 ZEPYHJPGMWOPDQ-GDBMZVCRSA-N 307.340 3.450 10 10 DGCE C[C@@H](N[C@H](C)c1ccccc1O)C(=O)Nc1cc(F)ccc1F 1175418464 LCMVRVLTQCLJGL-GHMZBOCLSA-N 320.339 3.348 10 10 DGCE Oc1c(Cl)cccc1CNc1ncc(Br)cn1 1187861654 NZPVEVXPEPVHHZ-UHFFFAOYSA-N 314.570 3.210 10 10 DGCE c1csc(-c2n[nH]cc2CNCc2ccc3c(c2)CCO3)c1 1199934290 SBQRWROKVABFNE-UHFFFAOYSA-N 311.410 3.363 10 10 DGCE c1ccc2c(c1)CC[C@@H](NCc1ccc3c(c1)CCCO3)CO2 1308382827 BPDQCARUKURVKB-GOSISDBHSA-N 309.409 3.495 10 10 DGCE C[C@@H](Cc1cccc(F)c1)N(C)C(=O)NCc1ccc(N)cc1 1337069964 DPZWFPMIUKZBHP-ZDUSSCGKSA-N 315.392 3.181 10 10 DGCE CCCC[C@@H](O)CCC(=O)N(CC)Cc1ccc(N(C)C)cc1 1442341292 GSVXYLBBVBUDGU-GOSISDBHSA-N 320.477 3.432 10 10 DGCE CC1(C)C[C@@H](NC(=O)Cc2ccc(O)c(O)c2)c2ccccc21 1445718359 DBGVIARCCYZTON-OAHLLOKOSA-N 311.381 3.179 10 10 DGCE Cc1cc(F)ccc1[C@@H](C)NC(=O)c1ccc(C)c(O)c1O 1455538490 SAEFPQYBWZIYCY-LLVKDONJSA-N 303.333 3.345 10 10 DGCE Cc1ncccc1/C=C/C(=O)N(C)c1cnc2ccccc2n1 1460583325 VKUOHCUQZGOOTN-MDZDMXLPSA-N 304.353 3.009 10 10 DGCE CCSc1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 1465211440 IFAKCDNWLFOAHK-UHFFFAOYSA-N 303.383 3.391 10 10 DGCE O=C(Cc1nc(-c2ccccc2)cs1)NCc1ccccc1O 1465990166 DRXZUKLERVFNNV-UHFFFAOYSA-N 324.405 3.375 10 10 DGCE C[C@H](NC(=O)c1cc2cnccc2[nH]1)c1ccc(N(C)C)cc1 1556260525 MDGABGZAPYYNNG-LBPRGKRZSA-N 308.385 3.120 10 10 DGCE O=C(NC[C@H]1C[C@H]2CC[C@H]1C2)c1cc2cc(O)c(O)cc2s1 1556492899 RAODFXKZNNCFCX-JBLDHEPKSA-N 317.410 3.479 10 10 DGCE C[C@@]1(C(=O)NCc2cc(O)ccc2O)CCCc2ccccc21 1558174071 CVIGLCNWCOMIDK-LJQANCHMSA-N 311.381 3.008 10 10 DGCE CCN(C(=O)c1ccc(N=NC(N)=O)cc1)c1nc(C)cs1 1627917779 CYJWPFNDYQSCNP-UHFFFAOYSA-N 317.374 3.281 10 10 DGCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCc2ccco2)c1 1628444588 IICIAISSBZYNPF-UHFFFAOYSA-N 322.364 3.430 10 10 DGCE c1cc2c(cc1CNCCCCCN1CCCC1)CCCO2 1662536297 JYWNFUBYNVZGBQ-UHFFFAOYSA-N 302.462 3.367 10 10 DGCE COc1ccc(CNCC[C@@H]2[C@H](C)CCCN2C(C)=O)cc1C 1691983276 XADUODWETDRLTP-RDTXWAMCSA-N 318.461 3.130 10 10 DGCE CCCn1c(-c2ccccn2)nnc1N(C)Cc1ccccc1O 1709748036 KTCAPIZNSZMQQI-UHFFFAOYSA-N 323.400 3.092 10 10 DGCE COC(=O)c1cccc(N=c2[nH]c3cc(C)c(C)cc3o2)c1O 1859858751 ITWBHLNXAAZJIT-UHFFFAOYSA-N 312.325 3.102 10 10 DGCE C[C@@H]1CN(Cc2ccccc2)C[C@H]1NCc1ccc(F)cc1O 1897944431 YKXLYRJKBINRNI-RDTXWAMCSA-N 314.404 3.141 10 10 DGCE [N-]=[N+]=NC[C@H]1CCN(C(=O)c2cc(F)c(Cl)cc2F)C1 1912190954 LMQWCZXRHMIKHR-SSDOTTSWSA-N 300.696 3.391 10 10 DGCE CCN[C@H](c1ccccc1O)[C@H](CC)NC(=O)OC(C)(C)C 1928471586 VVNNBYNBRVEHBQ-DZGCQCFKSA-N 308.422 3.346 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H]2[C@H]1[C@H]2[C@@H](N)c1ccccc1O 1938162479 SNFXAJWKURJSOD-OJLVUWQFSA-N 318.417 3.038 10 10 DGCE CCN(CCNCc1c(C)cccc1O)C(=O)OC(C)(C)C 1958785961 GGOWAZWGYVAROU-UHFFFAOYSA-N 308.422 3.047 10 10 DGCE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](CNc1ccc(N)cc1)C2 1982132556 TXFGYMRVFGNWJT-RCBQFDQVSA-N 317.433 3.469 10 10 DGCE Oc1c(Br)cccc1CNC[C@H]1CCCOCC1 2028644145 CRYRHJAMKTXBOW-NSHDSACASA-N 314.223 3.061 10 10 DGCE CCNCc1ccc(N2CC[C@H]2C(F)F)cc1Br 2051816814 MNRMUDLEKPGEGQ-LBPRGKRZSA-N 319.193 3.402 10 10 DGCE CO[C@H]1CC[C@H](N(C)Cc2cc(Br)ccc2O)C1 2067111065 BMEMCLOYNFRJMB-STQMWFEESA-N 314.223 3.154 10 10 DGCE CC[C@@H](CN(C)c1ccc(CNC)cc1Br)OC 2068257430 UYGUTFZVRYAFMR-LBPRGKRZSA-N 315.255 3.030 10 10 DGCE CN(C)c1ccc([C@H](N)c2cc(C(F)(F)F)ns2)cc1 2155025690 HBUQZACXUCGHIS-LBPRGKRZSA-N 301.337 3.276 10 10 DGCE C[C@@H]1SC[C@H]([C@H](N)c2ccc3c(c2)CCN3C)S[C@H]1C 2163078636 JKLRUNGBNZCFIB-DPDCMNJDSA-N 308.516 3.304 10 10 DGCE CN1CCCc2cc([C@H](NN)c3ccc(Cl)s3)ccc21 2163093408 BKRLVGWOJHITPX-HNNXBMFYSA-N 307.850 3.337 10 10 DGCE CCC[C@]1(O)CCCN(c2cc(Cl)c(CN)cc2F)C1 2177381371 MIGFIQVOIKZBNE-HNNXBMFYSA-N 300.805 3.069 10 10 DGCE C[C@@H]1CC[C@@H](CCN(C)c2cc(Cl)c(CN)cc2F)O1 2177381897 SIOHUINVECSWJN-PWSUYJOCSA-N 300.805 3.332 10 10 DGCE F[C@H]1C[C@H](F)CN(c2ccc(CNC3CC3)c(Cl)c2)C1 2182606881 WEELUTXFJQYNGB-RYUDHWBXSA-N 300.780 3.478 10 10 DGCE [N-]=[N+]=NCCCOc1ccccc1S(=O)(=O)C(F)(F)F 2184168921 OGGFLLDIZPAZJW-UHFFFAOYSA-N 309.269 3.059 10 10 DGCE COCCC1(CN(C)c2cc(Cl)c(CN)cc2F)CC1 2195262805 BDHXCFPIHJTGRV-UHFFFAOYSA-N 300.805 3.191 10 10 DGCE COc1ncc(Br)cc1NCc1cccc(C)c1O 2232168913 XYPACOPBBKOGIW-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE CCNCc1ccc(N2CC[C@@H](OC(F)F)C2)cc1Cl 2239221039 NIHBSSQBBWHMQV-GFCCVEGCSA-N 304.768 3.267 10 10 DGCE CC[C@H](C)NCc1ccc(N(C)CC[S@@](C)=O)c(Cl)c1 2240083286 ZEFWGASEVOZYDP-FKIZINRSSA-N 316.898 3.043 10 10 DGCE CN1C(=O)C(=Cc2ccccc2OC(F)F)SC1=S 2296618604 IRINDVNFYWTQAM-UHFFFAOYSA-N 301.339 3.119 10 10 DGCE CN(C)c1ccc(CNC(=O)C=Cc2ccc(Cl)nc2)cc1 2304296416 NLABGIXMGBFCNE-UHFFFAOYSA-N 315.804 3.131 10 10 DGCE O=C(c1ccco1)N1CCN(N=Nc2cc(F)ccc2F)CC1 2330252252 WFHBGOHCDLSOOE-UHFFFAOYSA-N 320.299 3.015 10 10 DGCE CCCC1=NN(CC)C(=O)C1=Cc1ccc(OC)c(OC)c1 2332140096 BDDDTYDFPRUFEC-UHFFFAOYSA-N 302.374 3.105 10 10 DGCE C[C@@H](CC[S@](=O)CCCOc1ccc(N)cc1)C(F)F 2364121258 DZMVPPBETFLSKJ-PRWKNARSSA-N 305.390 3.078 10 10 DGCE CSc1ncc(CNC2(C(=O)O)C[C@@H](C)C[C@H](C)C2)s1 2373740389 RTMVEDORYWIPET-UWVGGRQHSA-N 314.476 3.234 10 10 DGCE Cc1ccc(C2=NN[C@@H](c3cc(Br)ccc3O)C2)o1 20390601 JICGXWUYVVVXBZ-LLVKDONJSA-N 321.174 3.495 10 10 DGCE Cc1ccc(Cl)c(OC[C@@H](O)COc2ccc(N)cc2)c1 51328060 QWZWIUJVMICWHY-ZDUSSCGKSA-N 307.777 3.049 10 10 DGCE CCCNCc1cc(F)c(N(CC)[C@@H](C)COC)c(F)c1 62713721 RGQCPSZXEVKAGL-LBPRGKRZSA-N 300.393 3.326 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)N[C@H]2CCCOC2)c1 111136783 BPFPTWBLTXCDLP-INIZCTEOSA-N 312.413 3.311 10 10 DGCE CN(C[C@@H](O)c1ccc(Cl)cc1)c1ccc2c(c1)OCO2 121276536 RKJLMHCBJWATBI-CQSZACIVSA-N 305.761 3.239 10 10 DGCE Cc1ccccc1Cc1nnc(CN(C)Cc2ccccc2O)o1 128447225 XNVNIUNYYMWUCY-UHFFFAOYSA-N 323.396 3.306 10 10 DGCE Oc1cc2c(cc1CN1CC[C@H](Oc3cccnc3)C1)CCCC2 160420850 GHUBVGOEPSNSAO-IBGZPJMESA-N 324.424 3.319 10 10 DGCE CNCc1ccc(N2CCC(OC)CC2)c(C(F)(F)F)c1 163672121 SRVDLCNIAUZEGH-UHFFFAOYSA-N 302.340 3.040 10 10 DGCE COc1ccc(N(Cc2nnc(C3CC3)n2C)C(C)C)cc1F 170653276 PECIFPLILHQHSK-UHFFFAOYSA-N 318.396 3.255 10 10 DGCE COc1cccc(CNC(=O)N[C@@H](C)c2cccs2)c1O 173424459 MJNXXJVRPPTVKY-JTQLQIEISA-N 306.387 3.023 10 10 DGCE C[C@H](NC[C@@H](O)Cc1ccccc1)c1cc(Cl)ccc1O 185370052 LHLKRFOSIZHFOS-WFASDCNBSA-N 305.805 3.300 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCCC1(C)C 194470320 CLIZGMVCXMGZAY-TZMCWYRMSA-N 305.418 3.361 10 10 DGCE Cc1cccnc1CNC(=S)Nc1cc(Cl)ccc1O 243937102 RVMDOITZZOVJDP-UHFFFAOYSA-N 307.806 3.236 10 10 DGCE O=C(CO[C@H]1CCCc2ccccc21)NCc1ccccc1O 280843060 QOEDBAKERIHKKT-SFHVURJKSA-N 311.381 3.103 10 10 DGCE CN1CCCc2cc([C@H](CN)N(C)Cc3ccccc3)ccc21 302929550 ONEQJQXKTMCEPO-FQEVSTJZSA-N 309.457 3.201 10 10 DGCE Cc1cc(Br)cc(CN2CCOCC[C@@H]2C)c1O 368131037 ISFOYPYBRZLYHL-NSHDSACASA-N 314.223 3.074 10 10 DGCE C[C@H](O)c1ccc(N2CC[C@@H](CF)C2)c(Br)c1 711426790 KGQOXCCKULNBNM-UWVGGRQHSA-N 302.187 3.298 10 10 DGCE CC(C)(C)C[C@@H]1CCCN1Cc1cc2c(cc1O)OC[C@H]2O 768445158 QEYVBTQFPLLXSW-XJKSGUPXSA-N 305.418 3.219 10 10 DGCE CC[C@H](N[C@H](C)[C@H]1CCCN(C(=O)OC)C1)c1ccccc1O 775579984 RQHHXCHVSCQGFJ-YCPHGPKFSA-N 320.433 3.300 10 10 DGCE COc1cc(N2CCC[C@@H](C3CC3)C2)c([N+](=O)[O-])cc1OC 808124981 DCYGFHGMIGFNJF-GFCCVEGCSA-N 306.362 3.238 10 10 DGCE C[C@@H](N[C@@H]1CC12CCNCC2)c1ccc(Cl)c(Cl)c1O 817976149 HMJLCKSCGRJRKW-BXKDBHETSA-N 315.244 3.492 10 10 DGCE Cc1cc(N(C)C)ccc1CNCc1cnc(C(F)(F)F)nc1 826838655 KIXBLIVTUKWFMC-UHFFFAOYSA-N 324.350 3.160 10 10 DGCE COc1ccc(N2CC[C@@H](NCc3ccccc3OC)C2)cc1 850345670 HLCVKMHZFFFIIM-MRXNPFEDSA-N 312.413 3.072 10 10 DGCE CO[C@H](CN(Cc1ccc(N(C)C)cc1)C(C)C)[C@@H]1CCOC1 851732050 HZOMSLWGGLHQIQ-IEBWSBKVSA-N 320.477 3.015 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)[C@@H]1C[C@@H]1C1CCCC1 862025504 WPPJYPAZTWDEGQ-HZPDHXFCSA-N 310.397 3.383 10 10 DGCE Cc1csc([C@H]2CCN(Cc3cc(F)cc(F)c3O)C2)n1 895473038 NFWXGRLEDFVBQJ-JTQLQIEISA-N 310.369 3.425 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@@H]1C=C[C@H]2C[C@@H]1CO2 922722582 GYKHNKNUPALONU-NDMJEZRESA-N 314.212 3.380 10 10 DGCE CCO[C@H](CN[C@H](CC)c1cccc(Cl)c1O)CN(C)C 926962607 RASLHIDZSKWTER-IUODEOHRSA-N 314.857 3.053 10 10 DGCE CC[C@@H](N[C@H]1C[C@@H]2OC(C)(C)O[C@@H]2C1)c1ccc(C)cc1O 927053705 BBJUQZLUADRIMY-WNOSKKOXSA-N 305.418 3.424 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)Nc1nccc2ccccc12 1157880750 HKGJIPBBODQADQ-SOFGYWHQSA-N 306.321 3.298 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)C1(c2ccccc2)CC1 1165498620 PNQAIDHFNUMPLE-UHFFFAOYSA-N 301.773 3.394 10 10 DGCE CCCOc1ccccc1NC(=O)Cc1ccc(O)c(O)c1 1440899507 QNRONWPNPIVNHX-UHFFFAOYSA-N 301.342 3.068 10 10 DGCE Cc1ncccc1/C=C\C(=O)N1C[C@@H](C)Oc2c(F)cccc21 1459125090 NWPAMABUAMCOQF-JLVNDZCYSA-N 312.344 3.356 10 10 DGCE CCN(C)c1ccc(CN2CCC(CC)(N(C)C)CC2)cc1 1460579347 PDMUVALJZWZCDY-UHFFFAOYSA-N 303.494 3.449 10 10 DGCE C[C@H](NCC(=O)Nc1ccc(F)cc1Cl)c1ccccc1O 1460641171 YHGGWXXBEKGZBY-JTQLQIEISA-N 322.767 3.474 10 10 DGCE C[C@H]1CCc2ccccc2[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 1546172187 PFAJOSRXSYWNBQ-HXPMCKFVSA-N 311.381 3.080 10 10 DGCE CC[C@@H](Sc1ccccc1)C(=O)NCc1ccc(O)cc1O 1557084995 XQAIMQIRSHGWPK-MRXNPFEDSA-N 317.410 3.285 10 10 DGCE CC/C(C)=C/C(=O)N(C)CCCNCc1ccc(OC)c(C)c1 1569199452 LDZMRRJEBVGZOZ-NTCAYCPXSA-N 318.461 3.298 10 10 DGCE CC[C@H](NC(=O)c1cccc(O)c1O)c1ccc(C)c(F)c1 1624238583 HMIXEEICXVBOAT-AWEZNQCLSA-N 303.333 3.426 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1c[nH]c2nccc-2c1 1645440566 JPFHBRMLGIXQLT-UHFFFAOYSA-N 317.348 3.303 10 10 DGCE Cc1ccc(C(=O)N2C[C@@H](C3CC3)C[C@H]2C2CC2)c(O)c1O 1645823318 COGYIPACYDZJIE-ZFWWWQNUSA-N 301.386 3.057 10 10 DGCE CC(C)Cc1nnc(N(C)Cc2ccccc2O)n1[C@H]1C[C@@H]1C 1692079818 FZBZRZDRLKAYDN-ZFWWWQNUSA-N 314.433 3.400 10 10 DGCE CCOC(=O)N1CCN(/N=N/c2cc(Cl)ccc2C)CC1 1860482710 NYMFUBFFEWQRRW-WUKNDPDISA-N 310.785 3.421 10 10 DGCE CCOc1c(/C=C2/C(=O)N(CC(C)C)N=C2C)cccc1OC 1865670277 RJCJHYCJIRAZCR-XNTDXEJSSA-N 316.401 3.351 10 10 DGCE Cc1cc(S(=O)(=O)N2CC[C@@H](CN=[N+]=[N-])C2)sc1Cl 1912152160 PIOWJHYZVHEDTJ-QMMMGPOBSA-N 320.827 3.031 10 10 DGCE Cc1ccc(Cl)c(NC(=O)CN2CC(N=[N+]=[N-])C2)c1Cl 1912177640 KGHYMLLSTBYYLI-UHFFFAOYSA-N 314.176 3.235 10 10 DGCE CC1(NC(=O)OC(C)(C)C)CCN(c2ccc(N)cc2)CC1 1959573914 ZDOSMVPSXNSMKC-UHFFFAOYSA-N 305.422 3.152 10 10 DGCE C[C@@H]1CO[C@@H](CN(C)Cc2cccc(Br)c2O)C1 1974413096 HNKXNXCFOHTCBF-CMPLNLGQSA-N 314.223 3.012 10 10 DGCE CN(C(=O)OC(C)(C)C)[C@H]1CCCN(Cc2ccc(N)cc2)C1 1977926822 OVTUDKOFGODRSJ-INIZCTEOSA-N 319.449 3.100 10 10 DGCE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1Cc1ccc(N)cc1 1977927073 SUGWTKHYHWWMLO-CJNGLKHVSA-N 319.449 3.146 10 10 DGCE CC(C)(C)OC(=O)NCC1CC2(CCN2CCCCN=[N+]=[N-])C1 1985552346 VQPPMONPZCQQRR-UHFFFAOYSA-N 323.441 3.456 10 10 DGCE CN[C@H](C[C@H]1CC[C@H]1NC(=O)OC(C)(C)C)c1ccccc1O 1985968352 ZFFBKOCXIZYDPK-BPLDGKMQSA-N 320.433 3.346 10 10 DGCE CNCc1ccc(N2CC[C@@H](C)[C@@H](F)C2)c(Br)c1 2034801233 CLVPNBIQMKGBAK-MFKMUULPSA-N 315.230 3.353 10 10 DGCE CO[C@H]1C[C@H]2C[C@H]1C[C@H]2Nc1c(N)cccc1Br 2040793867 CELCSYKLALKFHX-DTVLGXAZSA-N 311.223 3.257 10 10 DGCE CCCN(C(=O)C1(Br)CCC1)c1ccc(N)cc1 2049231695 UZNGVNNUXNRPER-UHFFFAOYSA-N 311.223 3.329 10 10 DGCE C[C@]1(C(F)F)C[C@@H]1NCc1cc(Br)cc(F)c1O 2057274599 UNSVMGAGWAMMBL-CABZTGNLSA-N 324.140 3.427 10 10 DGCE CC[C@]1(C)C[C@H](NCc2cc(Br)ccc2O)CO1 2069118305 RLBQBAXYMVKGNF-GXTWGEPZSA-N 314.223 3.202 10 10 DGCE COc1ccc([C@H](C)n2nc(C3CCC3)cc2C=O)c(O)c1 2070004826 FGJHGMOWBNLIAK-NSHDSACASA-N 300.358 3.287 10 10 DGCE Nc1ccc(C[C@H](O)c2ccc(Br)cc2F)cc1 2072148228 XKWGTKDKKKUQMQ-AWEZNQCLSA-N 310.166 3.447 10 10 DGCE C[C@H](c1ccccc1O)N(C)c1cc(Br)ncn1 2072467948 YKODDTCDGGZYCK-SECBINFHSA-N 308.179 3.142 10 10 DGCE CCc1nn([C@@H](c2ccc(C)cc2O)C(C)(C)C)c(N)c1CN 2079138850 ZUMBECASXWOLLC-INIZCTEOSA-N 316.449 3.136 10 10 DGCE C[C@H](O)c1ccc(N2C[C@](C)(F)[C@@](C)(Br)C2)cc1 2084856235 MHTSCFLNRSVBCM-BPNCWPANSA-N 316.214 3.442 10 10 DGCE CN1CCc2cc([C@@H](O)C(=O)c3sccc3Cl)ccc21 2147117679 HGNUCACUDYTKBM-CYBMUJFWSA-N 307.802 3.310 10 10 DGCE CC1(C)C[C@@H](Sc2nccs2)C[C@](CO)(NC2CC2)C1 2183539412 SOYUVTODJIXHAZ-DOMZBBRYSA-N 312.504 3.297 10 10 DGCE C[C@H](c1ccc(Cl)cc1O)N1CCO[C@](C)(C(F)F)C1 2203362097 MQVKRXOUQBZVFE-OTYXRUKQSA-N 305.752 3.463 10 10 DGCE C[C@@H]1C[C@H](CC(=O)O)CN1Cc1cc(Cl)cc(Cl)c1O 2285691893 ZXBABQGSBJESHD-RKDXNWHRSA-N 318.200 3.384 10 10 DGCE O=C1N=C(N2CCCCC2)SC1=Cc1cc(F)c(O)c(F)c1 2297799678 AXOAMGVUMPXUEP-UHFFFAOYSA-N 324.352 3.127 10 10 DGCE Cc1ccc(CNCCCOC2CC2)c(O)c1Br 2327611618 FKWGWFIADWSOJH-UHFFFAOYSA-N 314.223 3.122 10 10 DGCE CCN(Cc1ccc(Br)s1)C(=O)CN=[N+]=[N-] 103757586 JZPOAJRLBCAHQT-UHFFFAOYSA-N 303.185 3.169 10 10 DGCE C[C@H](NCc1ccncc1Br)c1ccc(O)cc1O 686562474 LYVVHGSOCBWIRG-VIFPVBQESA-N 323.190 3.106 10 10 DGCE CCCN[C@H]1CCCN(c2cc(Cl)c(OC)cc2OC)C1 71198068 LWAATRLKHRBFHD-LBPRGKRZSA-N 312.841 3.326 10 10 DGCE Cc1ccc(N2C(=O)/C(=C/c3cocn3)SC2=S)cc1 191220883 JRXLBOKREYLWBS-SDQBBNPISA-N 302.380 3.389 10 10 DGCE FC(F)Oc1ccc(N2CCC[C@@H](NCc3ccc[nH]3)C2)cc1 190774873 SNRYWUZPUVMZRB-CQSZACIVSA-N 321.371 3.375 10 10 DGCE Cc1cc(C(=O)NC2CCC(N)CC2)c(C)n1-c1ccccc1 237715243 XMCRHRHTPXPLPQ-UHFFFAOYSA-N 311.429 3.094 10 10 DGCE N[C@@H](c1ccc(I)cc1O)C1CCCC1 95782900 DXKQYQVHOKWXQB-GFCCVEGCSA-N 317.170 3.187 10 10 DGCE CCOc1ccc(O)c(CN[C@@H](C)[C@@H](O)c2ccccc2)c1 288480241 GKJWJBQAHMQURH-SCLBCKFNSA-N 301.386 3.003 10 10 DGCE C[C@@H]1C[C@@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1O 804913239 IDSZQVKQKWZDJN-HTQZYQBOSA-N 303.189 3.154 10 10 DGCE CC(C)CC(=O)N1CCOc2ccc(N3CCCC3)cc2C1 581789330 WPUARWJMHVFNLU-UHFFFAOYSA-N 302.418 3.054 10 10 DGCE COC(=O)[C@H]1C[C@H]2CC[C@H]1N(Cc1cc(Cl)cc(C)c1O)C2 839172673 PNMWHJUOFZADNS-BYCMXARLSA-N 323.820 3.128 10 10 DGCE CC(C)O[C@@]1(CN[C@@H](C)c2cc(Cl)ccc2O)CCOC1 903357534 NAKYOWLKZLQSML-BLLLJJGKSA-N 313.825 3.280 10 10 DGCE CSC1(CNC/C=C\c2ccc(N(C)C)cc2)CCOCC1 835041316 BAJZMUXKDMAOIQ-PLNGDYQASA-N 320.502 3.268 10 10 DGCE Oc1ccc(F)cc1CN[C@H](C[C@@H]1CCCO1)C(F)(F)F 848928193 WWZZJEVBOBYFAM-WCQYABFASA-N 307.287 3.121 10 10 DGCE C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccc(N)cc1 841299800 OEFLUDIWGRECTC-ZJUUUORDSA-N 301.312 3.464 10 10 DGCE Cc1ccc(N2CCCN(C(=O)Nc3ccc(N)cc3)CC2)cc1 841301707 WKVJGSPSCZIOPV-UHFFFAOYSA-N 324.428 3.321 10 10 DGCE CN(C)c1ccc(CN[C@@H]2C[C@@H](O)c3ccccc32)cc1F 850372650 XBUJPBXSRKYKAE-SJLPKXTDSA-N 300.377 3.160 10 10 DGCE CCOC(=O)C1=CC[C@H](NC/C=C/c2ccc(N(C)C)cc2)C1 862489558 PDHKMQYUOPDXNS-RTRPANQVSA-N 314.429 3.007 10 10 DGCE C/C=C/C[C@@H](NCc1c(O)ccc(Cl)c1F)C(=O)OCC 763367326 ZOXVMXRRQJLXAM-OGOUPESXSA-N 315.772 3.172 10 10 DGCE Cc1cc(Br)c(O)c(CN(C)Cc2ccon2)c1 781913994 VMQBLMDGWGIWTO-UHFFFAOYSA-N 311.179 3.083 10 10 DGCE C[C@@H]1O[C@H](C)CN(Cc2cc(Br)ccc2O)[C@@H]1C 783738882 YHKIJZVYMDOLOE-MXWKQRLJSA-N 314.223 3.152 10 10 DGCE CCCCN(CCO)Cc1cc(C)cc(Br)c1O 781895906 YPIYVADCZZFNRX-UHFFFAOYSA-N 316.239 3.058 10 10 DGCE COc1cccc(O)c1CN1CCC(c2ccc(C)nc2)CC1 783603785 YJESENIFSMLNPK-UHFFFAOYSA-N 312.413 3.484 10 10 DGCE Cc1ccc(C2=NO[C@@H](CNCc3c(C)cccc3O)C2)cc1 1332723570 HCZNBSXSQPTIJE-MRXNPFEDSA-N 310.397 3.292 10 10 DGCE CC(C)(C)OC(=O)N1CC2CC1(CNc1ccc(N)cc1)C2 1959362378 FTAASVMBOCIOBQ-UHFFFAOYSA-N 303.406 3.080 10 10 DGCE O=C(NCc1ccccc1O)c1cccc(C(=O)c2ccco2)c1 1150536671 RCAVVBXRAPBCEO-UHFFFAOYSA-N 321.332 3.146 10 10 DGCE CC(C)(C)OC(=O)NCCC(C)(C)[C@H](N)c1ccccc1O 1959507281 KCLPLOQCITUUSS-CQSZACIVSA-N 308.422 3.333 10 10 DGCE COc1ccc(N(C)CCN(C)C[C@H](OC)C2CCCC2)cc1 1307896394 APTYXMASYGCEIP-IBGZPJMESA-N 320.477 3.268 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]2CC[C@H]1N2CCCN=[N+]=[N-] 1962298325 DIJGPCRBOZJPLQ-RWMBFGLXSA-N 309.414 3.064 10 10 DGCE C[C@@H]1C[C@@H](C)N(CCN=[N+]=[N-])C[C@H]1CNC(=O)OC(C)(C)C 1962305443 SBVKXMAHCMCTOO-JHJVBQTASA-N 311.430 3.168 10 10 DGCE COc1ccc2cc(C(=O)NCc3cc(C)ccc3O)cnc2c1 1167293767 RRLOGGQWBYIGDP-UHFFFAOYSA-N 322.364 3.187 10 10 DGCE CO[C@H]1CCC[C@H](NCc2c(O)cccc2Br)C1 1963468712 XCWZTRKFBUTHQM-QWRGUYRKSA-N 314.223 3.202 10 10 DGCE CCN(C)c1ccc(CN2CCN(c3ccncc3)[C@H](C)C2)cc1 1175775502 RITQHWIUPWWUFS-QGZVFWFLSA-N 324.472 3.248 10 10 DGCE C[C@@H](CNCc1ccc(F)c(F)c1O)N(C)Cc1ccccc1 703295711 MNUILGKHCNPPFV-ZDUSSCGKSA-N 320.383 3.281 10 10 DGCE CC[C@@H](NCCOC1CC1)c1cc(Br)ccc1O 715001495 OVQFQNWAWVAROT-CYBMUJFWSA-N 314.223 3.374 10 10 DGCE c1cnc(C2(NCc3ccc(N4CCCC4)cc3)CCC2)nc1 1331257603 NDWFJAUVVZIGAX-UHFFFAOYSA-N 308.429 3.246 10 10 DGCE Cc1ccc(C(=O)NCc2c(O)ccc3ccccc23)c(O)c1 1456312194 ZZSQLTGCCCNAGX-UHFFFAOYSA-N 307.349 3.489 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@@H]1[C@@H]2CCCO[C@@H]21 2119927227 YYUAXQJIBBGPBK-WDMOLILDSA-N 302.201 3.214 10 10 DGCE CCOc1ccc(OC(=O)c2sc3ncccc3c2N)cc1 1624476933 ZWCBLRJICDEGFQ-UHFFFAOYSA-N 314.366 3.496 10 10 DGCE C[C@H](NC(=O)c1cccc(C(F)(F)F)c1N)c1ccccc1O 1635803987 MKTFCVKXSDFEMH-VIFPVBQESA-N 324.302 3.484 10 10 DGCE Oc1nnc(Cl)cc1NCc1cc(Cl)cc(Cl)c1O 1651912412 FJEOCWPQDHCVKH-UHFFFAOYSA-N 320.563 3.460 10 10 DGCE Cc1ccc(Cl)c(OCC(=O)NCc2c(O)cccc2F)c1 1596907452 XYZLUMKMGXPBQS-UHFFFAOYSA-N 323.751 3.188 10 10 DGCE O=C(O)[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2O)CC1 1964728482 QHPAXHUPMTUOBY-VIFPVBQESA-N 318.200 3.386 10 10 DGCE CC(C)NCc1ccc(N(C)[C@@H]2CCCN(C)C2)c(Cl)c1 164052066 GEDMOWWCPCDBFN-OAHLLOKOSA-N 309.885 3.368 10 10 DGCE CCCCN(C[C@H](N)c1ccccc1O)C(=O)OC(C)(C)C 1931549840 NDBDIUCUSHGUFA-AWEZNQCLSA-N 308.422 3.429 10 10 DGCE CC(C)C[C@](CSc1nccs1)(NC(C)C)C(=O)O 2142866220 AAZZRWBQBHRHHM-CYBMUJFWSA-N 302.465 3.103 10 10 DGCE C[C@H](C[C@H](N)c1ccc(N(C)C)cc1)N(C)C(=O)OC(C)(C)C 1977944778 JPBPBEHGUYULRH-CJNGLKHVSA-N 321.465 3.398 10 10 DGCE CN[C@@H](c1ccccc1O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 259965222 RKYGAZHHDDHMGY-XJKSGUPXSA-N 320.433 3.300 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@](N)(c2ccccc2O)[C@H]1C(C)(C)C 1991352482 GOGPSZSSXLTYCJ-RDTXWAMCSA-N 320.433 3.212 10 10 DGCE CC1(F)CN(c2ccc(C=CC(=O)O)cc2Br)C1 2032482047 UULWDANJVJGONA-UHFFFAOYSA-N 314.154 3.095 10 10 DGCE C[C@]1(NC(=O)Nc2ccc(N)cc2)CCN(Cc2ccccc2)C1 405956621 LCONPMPBASQWLS-IBGZPJMESA-N 324.428 3.055 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)c1sccc1Br 701176134 VWLIVHDXLHTQMA-ZETCQYMHSA-N 315.196 3.426 10 10 DGCE CN(Cc1cc(Cl)cc(Cl)c1O)[C@H]1C[C@H]2CN[C@@H](C2)C1 709068518 KDJYKZCVBGOXSB-XDTLVQLUSA-N 315.244 3.271 10 10 DGCE COCCN(Cc1ccc(Br)cc1O)CC(C)C 691779649 MYIUECDZMBAQTN-UHFFFAOYSA-N 316.239 3.259 10 10 DGCE Oc1c(Cl)cccc1CN1CCO[C@@H](CC(F)(F)F)C1 698222551 UKEYHMRXFPQEQS-JTQLQIEISA-N 309.715 3.199 10 10 DGCE CO[C@]1(C)CCCN(c2cc(Cl)c(CN)cc2F)CC1 2177387610 KRVHXDAQESQYAM-OAHLLOKOSA-N 300.805 3.333 10 10 DGCE COc1cccc(Cn2nc(C(C)C)c(C3CC3)c2N)c1O 2079742319 NGRPXXSEKQIQRE-UHFFFAOYSA-N 301.390 3.229 10 10 DGCE COc1ccc(N(C)[C@@H]2CS[C@H](C(F)(F)F)C2)c(N)c1 2189465338 CVUNKNPAYBEORE-UFBFGSQYSA-N 306.353 3.150 10 10 DGCE CN(CCc1ccc(N)cc1)Cc1cc(Br)co1 2050623780 OMPJJSDIVUANIR-UHFFFAOYSA-N 309.207 3.299 10 10 DGCE COc1cc(Cl)cc(CNC[C@](C)(F)C(F)(F)F)c1O 2191877296 XQBHPDKJYCBESR-NSHDSACASA-N 315.694 3.434 10 10 DGCE CC[C@H]1CC[C@@H](CNCc2cc(Br)ccc2O)O1 2081658199 SPJODNCBGIBDFQ-STQMWFEESA-N 314.223 3.202 10 10 DGCE CN(C)c1ccc([C@H](O)C(=O)c2occc2Br)cc1 2090866052 AXECXTYGAQPQEN-LBPRGKRZSA-N 324.174 3.024 10 10 DGCE COc1ncc(CN(C)c2ccc([C@H](C)N)cc2Cl)s1 2239977500 DLLOWEADGWGUPI-VIFPVBQESA-N 311.838 3.461 10 10 DGCE Oc1c(Cl)cccc1CNC[C@@H]1OCC[C@H]1C(F)(F)F 2240537410 SVPTYFYEQAJFOP-KOLCDFICSA-N 309.715 3.103 10 10 DGCE CC1(C)[C@@H]2C[C@@H]2CN1c1ccc(CN)c(Br)c1F 2257012089 DZLBWKHDJSXXKO-NXEZZACHSA-N 313.214 3.282 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)c2c(Cl)ccc(Cl)c2N)C1 2286895690 FVDRDWWVAHASRO-ZETCQYMHSA-N 314.176 3.491 10 10 DGCE CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccccc1O 2297741671 OSMFIEKAMCURGW-UHFFFAOYSA-N 307.353 3.419 10 10 DGCE CN(Cc1cc(Br)ccn1)Cc1ccccc1O 1140766863 UUOVDRVANUETFL-UHFFFAOYSA-N 307.191 3.182 10 10 DGCE NCc1ccc(N2C[C@@H]3C[C@H]2C(F)(F)C3)c(Br)c1 2308473833 UNVFOMPGQCJESY-SKDRFNHKSA-N 317.177 3.142 10 10 DGCE CNC(=O)c1cccc2c1N[C@H](c1cccnc1)[C@H]1CC=C[C@@H]21 20751176 BQTHGZRZHNLOQC-JKIFEVAISA-N 305.381 3.268 10 10 DGCE Nc1ccc(NC(=O)CC[S@](=O)c2ccccc2Cl)cc1 40961597 YSSNNFFDOJKNIF-OAQYLSRUSA-N 322.817 3.059 10 10 DGCE CC1(C)CN(Cc2cccc(F)c2)c2ccc(CN)cc2O1 74337702 CECJLRSPBMGKCD-UHFFFAOYSA-N 300.377 3.462 10 10 DGCE [N-]=[N+]=NCCCN[C@H](C(=O)O)c1cccc(Cl)c1Cl 90259105 VFCIZGPJFNPASB-JTQLQIEISA-N 303.149 3.409 10 10 DGCE COc1ccc(CN(C)CCOc2ccccc2C)c(O)c1 121542614 RPYNIFDXUOTBBH-UHFFFAOYSA-N 301.386 3.220 10 10 DGCE CN[C@H](C)c1ccc(N(C)CC(F)F)c(Br)c1 136851911 XFSBQMUMRNHNAU-MRVPVSSYSA-N 307.182 3.431 10 10 DGCE CC[C@H](NCc1cccnc1N(C)C)c1ccc(N(C)C)cc1 154764807 VZWDUGRYDCAMRU-SFHVURJKSA-N 312.461 3.455 10 10 DGCE Cc1ccc(C(=O)N2CCCC[C@@H]2c2cccn2C)c(O)c1O 179532765 RGLLALWKPKKMIF-OAHLLOKOSA-N 314.385 3.112 10 10 DGCE CC(C)Oc1ccc(CC(=O)N(C)Cc2ccccc2O)cc1 186411884 WOPCOGNDUINHOU-UHFFFAOYSA-N 313.397 3.381 10 10 DGCE C[C@H](NCCCOCC(F)(F)F)c1ccc(F)c(F)c1O 191199779 VHXJYQIUAPACBQ-QMMMGPOBSA-N 313.266 3.290 10 10 DGCE C[C@@H](NCc1nnc2ccccn12)c1ccc2ccccc2c1O 192942808 OZKOYOIKCASMRT-CYBMUJFWSA-N 318.380 3.439 10 10 DGCE COc1cc(Cl)cc(CNCCOC2CCCCC2)c1O 228672543 GEESZONODIDMAG-UHFFFAOYSA-N 313.825 3.493 10 10 DGCE C[C@H](N)c1ccc(N(C)C[C@H]2CCCO2)cc1Br 235498607 KOGCPJSTFRWXBZ-CMPLNLGQSA-N 313.239 3.084 10 10 DGCE COc1ccc(O)c(CNC(=O)/C=C\c2ccccc2Cl)c1 255169290 OHWPWDNPWOFAGH-TWGQIWQCSA-N 317.772 3.384 10 10 DGCE CC(C)(C)c1ncc(/C=C/C(=O)N2CCCn3nccc32)s1 266301148 RANBBDGVFOFODQ-AATRIKPKSA-N 316.430 3.087 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1C[C@@H]1C 266811525 WHBFMNNWMYJLBP-HOCLYGCPSA-N 303.450 3.329 10 10 DGCE COc1cc(O)c(CN2CC[C@@H](CC(F)(F)F)C2)cc1OC 277390392 BXGUTKZCSRWXSE-JTQLQIEISA-N 319.323 3.184 10 10 DGCE CNCc1ccc(N2CCN(Cc3ccccc3)CC2)c(C)c1 302933536 YAKIQSFLAFEJNA-UHFFFAOYSA-N 309.457 3.037 10 10 DGCE C[C@@H](N)c1ccc(N(C)[C@H](C)C(C)(C)O)c(Br)c1 382814946 SGNPMIOICBREDC-NXEZZACHSA-N 315.255 3.064 10 10 DGCE NCc1ccc(N2CC[C@@H]3CCC[C@@H]32)c(F)c1Br 386105651 SFSYRFDTGGOACF-ONGXEEELSA-N 313.214 3.426 10 10 DGCE CSC[C@@H]1CCCN1c1ccc(CN)c(C(F)(F)F)c1 400281432 JHNLZDUAWKCRIY-LBPRGKRZSA-N 304.381 3.496 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1CO[C@H](C2CC2)C1 691476182 IKTZASICDGLRLA-AAEUAGOBSA-N 302.201 3.356 10 10 DGCE CC(C)C[C@@H]1C(=O)N([C@H](C)c2ccc(N(C)C)cc2)C(=O)N1C 761576032 AAYDJZOMXKAUBS-CZUORRHYSA-N 317.433 3.122 10 10 DGCE COc1ccc(N2CCC(NCCOCC3CCC3)CC2)cc1 765681912 XTZZISSJPMBBEI-UHFFFAOYSA-N 318.461 3.070 10 10 DGCE COc1cc(O)c(CN(CC(F)F)CC2CCC2)cc1OC 768464616 DENWSRWILAALSG-UHFFFAOYSA-N 315.360 3.277 10 10 DGCE CN1CCN(c2ccc(CN[C@H]3CCCC(F)(F)C3)cc2)CC1 771848930 VLTKWUXTDOTDPC-INIZCTEOSA-N 323.431 3.106 10 10 DGCE Oc1ccc2c(n1)CCC[C@H]2NCc1c(O)ccc(Cl)c1F 790962816 TUHHDDMPBHHUBO-GFCCVEGCSA-N 322.767 3.453 10 10 DGCE COc1ccc(O)c(CNC(=O)c2cc(O)c3ccccc3c2)c1 792237389 CMQLQXJRDGQDTQ-UHFFFAOYSA-N 323.348 3.190 10 10 DGCE CN1CCCc2cc(CNC(=O)N3CCC(F)(F)CC3)ccc21 792953094 XVHASYBQKAVPHR-UHFFFAOYSA-N 323.387 3.010 10 10 DGCE COc1ccc(CNC(=O)C(C)(C)c2cccs2)c(O)c1 794383880 RSWJYSNZRMPPEE-UHFFFAOYSA-N 305.399 3.056 10 10 DGCE CN(C)c1ccc([C@@H]2CC(c3cc(F)ccc3F)=NN2)cc1 821173156 HGJQSJGRPNHFEW-INIZCTEOSA-N 301.340 3.470 10 10 DGCE FCC[C@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 827270734 DSTAUCCWBTWOEL-OAHLLOKOSA-N 324.415 3.234 10 10 DGCE CC(C(=O)NCc1cc(Br)ccc1O)=C1CCC1 832445824 JYZQRNRZUOJIAB-UHFFFAOYSA-N 310.191 3.271 10 10 DGCE CCN(CC)c1ccc(CN2CC[C@H](C)[C@@H](C(=O)O)C2)cc1 843041561 SFJGTWOMZFIAEZ-YOEHRIQHSA-N 304.434 3.075 10 10 DGCE CCOc1ccc(CN[C@@H]2[C@H]3Cc4cc(F)ccc4[C@H]32)c(O)c1 850409752 ZXNLGRYLDVXFFD-QXAKKESOSA-N 313.372 3.358 10 10 DGCE Fc1cc(CN[C@@H]2CCCC23CC3)ccc1N1CCOCC1 850425925 XXWYERFGKAYUSL-QGZVFWFLSA-N 304.409 3.085 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H]3COC[C@@H]3C2)cc1 856152884 HUKFYZMYHADLPG-MSOLQXFVSA-N 324.424 3.203 10 10 DGCE Cc1ccccc1-n1c(C)cc(C(=O)N2CCC3(COC3)C2)c1C 856195771 VWXKMPCDCNDRRM-UHFFFAOYSA-N 324.424 3.265 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCO[C@@H](C(F)F)CC2)cc1 872253703 DVPSGKNWVYIACI-QDLOVBKTSA-N 310.388 3.122 10 10 DGCE CC(C)O[C@]1(CN[C@H](C)c2ccc(Cl)cc2O)CCOC1 903358749 YWLUHNFIYBCSIJ-WBMJQRKESA-N 313.825 3.280 10 10 DGCE C[C@@H]1CC[C@H](C(=O)O)C[C@@H]1NC/C=C/c1ccc(N(C)C)cc1 904030364 CLXZRXQNLGLLRT-LYTOYTJTSA-N 316.445 3.245 10 10 DGCE CC(C)c1csc(CNC(=O)NCc2c(O)cccc2F)n1 921501009 ADYBFQUJLHLMEN-UHFFFAOYSA-N 323.393 3.111 10 10 DGCE CC(C)[C@H]1COCC[C@@H]1NCc1ccc(N2CCCC2)cc1 924650386 XWRYRZKGDYZICH-MOPGFXCFSA-N 302.462 3.438 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)c1cc(Cl)ccc1O 1300400969 QWNVQGPRJUYAEB-UHFFFAOYSA-N 312.152 3.335 10 10 DGCE Cc1ccc(CC(=O)N(C)Cc2ccc(N3CCCC3)cc2)o1 1349118941 OQQYTGSMFIOPNV-UHFFFAOYSA-N 312.413 3.389 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CCCOCC1 1351164314 WFFSYQBXIPYQBW-QGZVFWFLSA-N 316.445 3.062 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCCCC12CCCC2 1450444591 GLQOUSNGFRXRQU-INIZCTEOSA-N 303.402 3.260 10 10 DGCE C[C@@H](NC(=O)c1ccoc1Br)c1ccccc1O 1454808154 UBOWGTLZZKSYJL-MRVPVSSYSA-N 310.147 3.239 10 10 DGCE Cc1ccc(C(=O)N2CC([C@H]3CCC[C@H](C)C3)C2)c(O)c1O 1455012251 YONIHULFEWGVLE-AAEUAGOBSA-N 303.402 3.305 10 10 DGCE Cc1nocc1CNC(=O)c1ccc(-n2c(C)ccc2C)cc1 1556792987 KQLZFUDAPDCFIJ-UHFFFAOYSA-N 309.369 3.321 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H]1CC[C@H](C)O1 1570152587 RBHUWRSJFXKJBO-UONOGXRCSA-N 318.442 3.453 10 10 DGCE COc1cccc2c1CN(C(=O)c1ccc(N=NC(N)=O)cc1)C2 1632187292 KVKYUHYQLIZKHY-UHFFFAOYSA-N 324.340 3.014 10 10 DGCE C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccccc1O 1632246743 NGQQRSHFIKWROK-SECBINFHSA-N 320.732 3.445 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1cn2c(n1)CCCC2 1635969018 LZOYKWOADPCGNY-UHFFFAOYSA-N 321.380 3.008 10 10 DGCE O=C(NCc1c(O)cccc1O)c1cccc(C(F)(F)F)c1 1647178903 XOOOJMKFSYROKS-UHFFFAOYSA-N 311.259 3.047 10 10 DGCE CC/C=C(\C)C(=O)NCC1(NCc2ccc(OC)c(C)c2)CC1 1699647737 SPNCTLBLUZRUFS-MKMNVTDBSA-N 316.445 3.098 10 10 DGCE CCCCCCOC(=O)CNCc1cccc(OCC)c1O 1857872537 PYPOOTWWOFMAFL-UHFFFAOYSA-N 309.406 3.004 10 10 DGCE NCc1ccc(N(Cc2ccccc2)[C@@H](CO)C2CC2)c(F)c1 1915186638 NBJQTKPKQAEFLQ-IBGZPJMESA-N 314.404 3.062 10 10 DGCE O=C(O)C=Cc1ccc(N(Cc2ccccc2)C2COC2)cc1 1915725295 IFMPKRRFNMNVNK-UHFFFAOYSA-N 309.365 3.190 10 10 DGCE CN(C)[C@@H]1CCC[C@H]1NCc1cc(Cl)cc(Cl)c1O 1921761151 VIOVSEGWDLSYJQ-CHWSQXEVSA-N 303.233 3.271 10 10 DGCE Cc1cccc([C@@H](CCC(=O)O)NC(=O)OC(C)(C)C)c1O 1951648020 BMIPFESGPWWSOS-GFCCVEGCSA-N 309.362 3.131 10 10 DGCE C[C@H](NC(=O)OC(C)(C)C)C(=O)CCCc1ccc(N)cc1 1952751174 HLITWHQUAFUFBO-LBPRGKRZSA-N 306.406 3.074 10 10 DGCE CC(C)(C)OC(=O)Nc1ccc(O)c([C@@H]2NCCC2(F)F)c1 1952866789 JKPDZEZEDYBOCR-LBPRGKRZSA-N 314.332 3.409 10 10 DGCE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1Nc1ccccc1N 1959369630 AFBPDNDJYHDMGQ-WFASDCNBSA-N 305.422 3.326 10 10 DGCE CC(C)c1c[nH]nc1CNCc1ccc(Br)cc1O 1967870630 SCXRWTCFWHTAGT-UHFFFAOYSA-N 324.222 3.291 10 10 DGCE CN(C)c1ccc([C@@H](N)C(C)(C)CNC(=O)OC(C)(C)C)cc1 1977945225 MMAWPFFJVCRMHD-OAHLLOKOSA-N 321.465 3.303 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(Cc2cnsc2Br)C1 1982798612 BGLPSNXSNURJEZ-QMMMGPOBSA-N 302.201 3.180 10 10 DGCE C[C@H]1CN(Cc2ccccc2)CCN1c1ccc2c(c1)CC[C@H]2N 2012702120 WXZKZZQSEHHRTE-HRAATJIYSA-N 321.468 3.343 10 10 DGCE COC1(CN(C)c2ccc([C@H](C)N)c(Br)c2)CC1 2048922166 DMDOVOZAFDDKAV-JTQLQIEISA-N 313.239 3.084 10 10 DGCE NCc1cc(F)c(N2CCCC[C@H]2CF)cc1Br 2051761771 PLDXSIZAAGRCCF-JTQLQIEISA-N 319.193 3.375 10 10 DGCE C[C@@H]1N(c2cc(Br)c(CN)cc2F)CCC1(F)F 2052007078 ZEQKIEGTZUZOMM-ZETCQYMHSA-N 323.156 3.281 10 10 DGCE Cc1ccc([C@H](C2CCC2)n2nc(C(F)F)c(N)c2N)c(O)c1 2079063118 BOZPZHHFOXVLSX-AWEZNQCLSA-N 322.359 3.389 10 10 DGCE [N-]=[N+]=NC1CCN(C(=O)c2ncc(Cl)cc2Cl)CC1 2107113563 FZHBBVRIBMEFIR-UHFFFAOYSA-N 300.149 3.303 10 10 DGCE Oc1c(Br)cccc1CNc1cccn2ccnc12 2120563826 WIJTZLFHBOZXCG-UHFFFAOYSA-N 318.174 3.415 10 10 DGCE CN(C[C@@H]1C2C[C@@H]3C1[C@@H]3C2)c1ccc(CO)c(Br)c1 2134480113 CEMXZNMQVMCSMA-RXHFIWKCSA-N 322.246 3.280 10 10 DGCE CN1CCc2cc([C@H](N)[C@H](O)c3sccc3Cl)ccc21 2163128903 YKKZLKVCUWAAMX-KBPBESRZSA-N 308.834 3.127 10 10 DGCE CSc1ncc(Cn2c(=N)[nH]c3ccc(Cl)cc32)s1 2269271209 LJKHGZJXRFDRJK-UHFFFAOYSA-N 310.835 3.329 10 10 DGCE CCc1ccc(C=C2C(=O)NN(c3ccc(C)cc3)C2=O)cc1 2297321419 WCMUWGLMXGZGAK-UHFFFAOYSA-N 306.365 3.019 10 10 DGCE O=C(C=Cc1ccc(Cl)nc1)N1CCOc2ccc(F)cc21 2304449432 FDZGUHHTJWQXRT-UHFFFAOYSA-N 318.735 3.313 10 10 DGCE C[C@@H](NC(=O)C=Cc1ccc(O)c(O)c1)[C@H]1C[C@H]2CC[C@H]1C2 2307982208 SVJZMSYVKSULNK-UQOMUDLDSA-N 301.386 3.052 10 10 DGCE Cc1ccc(CNC(=O)[C@@H]2C=CCCC2)c(O)c1Br 2352640338 IMWBAUQNWHPVTR-LLVKDONJSA-N 324.218 3.436 10 10 DGCE Cc1ccc(N2C(=O)[C@H](Br)SC2=S)cc1 6070904 KFRHCUCDSCFAAJ-MRVPVSSYSA-N 302.218 3.081 10 10 DGCE C[C@@H](c1cc(Br)ccc1O)N1C[C@@H]2CC[C@H](C1)O2 211683647 OTWXQVKMONAXJM-ZMLRMANQSA-N 312.207 3.079 10 10 DGCE CN1CCc2cc(CNCC[C@](C)(O)c3ccccc3)ccc21 189836808 YNIUREWLJOQFSA-FQEVSTJZSA-N 310.441 3.066 10 10 DGCE CCN[C@@H](C)c1ccc(N2CCn3ccnc3C2)cc1Cl 78927813 JZEKQUGBYVSNDY-LBPRGKRZSA-N 304.825 3.227 10 10 DGCE Cc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1cc(Cl)ccc1O 186096264 BTJOHTFTLXWKGC-ZANVPECISA-N 306.797 3.131 10 10 DGCE Nc1ccc(OCCC[S@](=O)c2ccc(F)c(F)c2)cc1 40969047 FRWROESOLUMAJD-OAQYLSRUSA-N 311.353 3.124 10 10 DGCE C[C@H](NCCN(C)c1ccccc1)c1ccc(F)c(F)c1O 191194651 OXDOVVZZSTXHMD-LBPRGKRZSA-N 306.356 3.457 10 10 DGCE Cc1cn2c(CN(C)Cc3ccccc3O)c(C)nc2s1 91974579 MELZSBRSRUKFTL-UHFFFAOYSA-N 301.415 3.350 10 10 DGCE Cc1cc(Cl)cc(CN2CC[C@@H](Cc3cnn(C)c3)C2)c1O 367718458 GZGDQRFKFKFYME-ZDUSSCGKSA-N 319.836 3.152 10 10 DGCE CC1(C(=O)NCc2cc(Br)ccc2O)C[C@H]2C[C@@H]2C1 816653702 DUZAOWFZGTXCGC-NXEZZACHSA-N 324.218 3.207 10 10 DGCE COc1cccc(CNC(=O)C2CCC(C3CC3)CC2)c1O 830540611 MICWZKIAAXMXBE-UHFFFAOYSA-N 303.402 3.233 10 10 DGCE CCN(CC(=O)Nc1ccccc1F)c1ccc(OC)cc1 746109450 OWISUAYTRPNQPD-UHFFFAOYSA-N 302.349 3.299 10 10 DGCE Cc1cc(O)c(CN2CCC(NCC3CC3)CC2)c(Cl)c1 843054602 WBJACSURPFFTKZ-UHFFFAOYSA-N 308.853 3.318 10 10 DGCE Cc1ccc(CC[C@H](C)NC(=O)NCc2c(O)cccc2F)o1 920625196 KDXPIWPBEDXVAL-NSHDSACASA-N 320.364 3.253 10 10 DGCE Cc1ccc([C@@H](C)N[C@@H]2CNCC[C@@H]2c2ccccc2)c(O)c1 854222964 PQQNJNXDSQAFCT-ATZDWAIDSA-N 310.441 3.497 10 10 DGCE Cn1cc(NCc2c(O)cccc2Br)c(C2CC2)n1 858166500 PONCXMJLBWHIOM-UHFFFAOYSA-N 322.206 3.378 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@H](C)c3cnccc3C)C2)cc1 850489225 SCXFUTDKFGVOME-HZPDHXFCSA-N 311.429 3.328 10 10 DGCE C[C@]1(CNC(=O)NCc2ccc(N3CCCC3)cc2)CC1(F)F 851986474 AQWXYUHADHBYGT-MRXNPFEDSA-N 323.387 3.131 10 10 DGCE CN(C)c1ccc(/C=C/c2nccc(-c3cnn(C)c3)n2)cc1F 769614685 MCKYJFBMTHYYSC-FNORWQNLSA-N 323.375 3.253 10 10 DGCE Cc1ccc(C)c(OCCC(=O)N2Cc3cccc(O)c3C2)c1 871199239 OPQBIZGHBLJEKN-UHFFFAOYSA-N 311.381 3.320 10 10 DGCE COC(=O)N1CCC[C@H]([C@@H](C)N[C@@H](C)c2cc(C)ccc2O)C1 775580871 MZWOIHPGDKBKAJ-ILXRZTDVSA-N 320.433 3.218 10 10 DGCE Cc1ccccc1[C@@H]1C[C@H]1NC(=O)N1Cc2cccc(O)c2C1 875691826 DTCKHGLQSZOBJM-DOTOQJQBSA-N 308.381 3.282 10 10 DGCE Cc1ccncc1/C=C\C(=O)N1CCOc2cc(F)c(F)cc21 1130407393 DOQUWQYOPYFDER-IHWYPQMZSA-N 316.307 3.107 10 10 DGCE CN(Cc1ccccc1O)C(=O)C(F)(F)Cc1ccccc1 793658399 TXBTUFOFDVJFNC-UHFFFAOYSA-N 305.324 3.229 10 10 DGCE C[C@@H](Oc1ccc(F)cc1)C(=O)N[C@H](C)c1ccccc1O 1302530609 SMXWVZFSBBIABL-VXGBXAGGSA-N 303.333 3.176 10 10 DGCE C[C@@H]1CN(CCCCN=[N+]=[N-])C[C@H]1CNC(=O)OC(C)(C)C 1962303466 HQFNKBCTBQZZSX-CHWSQXEVSA-N 311.430 3.170 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN=[N+]=[N-] 1962306364 ZFBMXACANKTBCB-CLLJXQQHSA-N 309.414 3.207 10 10 DGCE COC(=O)c1cc(OCCc2ccccc2F)ccc1N(C)C 1166714320 RZUCVAJXTWJMSA-UHFFFAOYSA-N 317.360 3.300 10 10 DGCE CCN(C)c1ccc(CN[C@@H](C(=O)OC)C2CCCCC2)cc1 1169056566 ROHJRDXIMXUUFT-GOSISDBHSA-N 318.461 3.354 10 10 DGCE Cc1cc(C)c(S(=O)(=O)Nc2cc(C)c(O)c(C)c2)s1 1963023189 FWELXOLOHPDRFT-UHFFFAOYSA-N 311.428 3.488 10 10 DGCE COCc1nc(-c2ccc(N(C)C)cc2)sc1C(C)(C)N 82446336 WALWDAOVRCYDKS-UHFFFAOYSA-N 305.447 3.216 10 10 DGCE COc1ccc(Br)c(CN[C@@H]2CC=CCC2)c1O 1964034928 KLULMHUINLVNOO-SNVBAGLBSA-N 312.207 3.362 10 10 DGCE CCNC[C@@H]1CCN1c1ccc(OC(F)(F)F)c(Cl)c1 696269380 BGGSBKWZUMQHLQ-JTQLQIEISA-N 308.731 3.427 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)/C(C)=C\c2ccccn2)c1 1445971231 ULDSCMFVZAYXMD-UKVQZPPCSA-N 312.369 3.077 10 10 DGCE C[C@@H]1C[C@@H]2C[C@H]2C[C@@H]1C(=O)Nc1c(Cl)ccc2nonc12 1520359750 VLBSYFKBGZWKLV-IMSYWVGJSA-N 305.765 3.497 10 10 DGCE C[C@@H](NC(=O)COc1ccccc1Cl)c1ccccc1O 1471193996 NEJCPEPWNDJDOM-LLVKDONJSA-N 305.761 3.302 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCc1ccoc1 1625868769 HNQUNUKYNIPBDP-UHFFFAOYSA-N 322.364 3.430 10 10 DGCE C[C@H](NC(=O)COc1ccc(F)c(Cl)c1)c1ccccc1O 1635799034 MWDIURPKCHIGFV-JTQLQIEISA-N 323.751 3.441 10 10 DGCE CC[C@H](C)C(=O)N[C@@H](CNCc1ccc(OC)c(C)c1)C1CC1 1733165594 USKPTJXOQSQXLF-GUYCJALGSA-N 318.461 3.034 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H](NCc2ccc(F)cc2O)C1 1964559775 GYRCACKQNXLLJF-CQSZACIVSA-N 324.396 3.020 10 10 DGCE CC(C)(C)c1csc(C(=O)NCc2c(O)cccc2F)n1 1645051119 WXTCEKQLKUGOJX-UHFFFAOYSA-N 308.378 3.215 10 10 DGCE CC[C@@H]1COCCN(Cc2ccc(Br)cc2O)C1 1964594941 TVOSHGQTLGOOBU-NSHDSACASA-N 314.223 3.013 10 10 DGCE COCCOC(=O)N(C)CSc1ncc(C(C)(C)C)s1 1652714343 BAFWSKYOVGXLDD-UHFFFAOYSA-N 318.464 3.205 10 10 DGCE COC(=O)c1cccc(CN(C)Cc2ccccc2O)c1Cl 1653611507 HVUXTBOVVSOVMC-UHFFFAOYSA-N 319.788 3.464 10 10 DGCE CCCNCc1ccc(N2CCC[C@@H](N(C)C)C2)c(Cl)c1 164126920 YFZPRDVWKGKOEB-OAHLLOKOSA-N 309.885 3.370 10 10 DGCE CC(C)CN1N=C(c2ccccc2)/C(=C/c2ccccn2)C1=O 1865672749 KAENCPWOKRQVRA-ATVHPVEESA-N 305.381 3.368 10 10 DGCE CCC1=NN(CC(C)C)C(=O)/C1=C/c1ccc(O)c(OC)c1 1865675556 NPSJLFVILIIACS-MDWZMJQESA-N 302.374 3.048 10 10 DGCE CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)cc1 25962213 FXIPZQBBMXWZHT-QZTJIDSGSA-N 312.388 3.312 10 10 DGCE CCc1ccc([C@@H]2CC(C(=O)Nc3ccc(N)cc3)=NO2)cc1 586032330 ALJFIZNXABJEHE-KRWDZBQOSA-N 309.369 3.287 10 10 DGCE Oc1ccc(CNCCc2ccccc2Br)c(O)c1 2131227605 DOYGXOYMVWKCJT-UHFFFAOYSA-N 322.202 3.193 10 10 DGCE O=C(Cc1cc(C2CC2)no1)NCc1c(O)ccc2ccccc12 1652708942 QPXOYIHVFQVQRA-UHFFFAOYSA-N 322.364 3.270 10 10 DGCE [N-]=[N+]=NC1CCN(C(=O)Cc2ccc(Br)cc2)CC1 1912174632 BSZRWBLUTZEEFK-UHFFFAOYSA-N 323.194 3.293 10 10 DGCE C[C@H](CC1CN(C(=O)OC(C)(C)C)C1)NCc1ccc(N)cc1 1938392442 ZAAOGEVOUWSOAX-CYBMUJFWSA-N 319.449 3.004 10 10 DGCE C[C@H](O)c1ccc(N2CC[C@](C)(F)C2)c(Br)c1 1946967014 CWABJTBCDSVDDH-ZANVPECISA-N 302.187 3.441 10 10 DGCE C[C@@H](CNCc1ccc(N(C)C)cc1)N(C)Cc1ccccc1 237367502 GGWNZABEWNXYCJ-KRWDZBQOSA-N 311.473 3.363 10 10 DGCE COc1cccc(O)c1[C@@H]1CC(=O)CCN1C(=O)OC(C)(C)C 1952055321 NHAUXDPFJVUEGO-LBPRGKRZSA-N 321.373 3.042 10 10 DGCE CC(C)(C)OC(=O)Nc1ccc(O)c([C@H]2NCCCCC2=O)c1 1952528263 QCIYFOOKXVIKLH-OAHLLOKOSA-N 320.389 3.123 10 10 DGCE CC(C)[C@@H]1C[C@@]1(NC(=O)OC(C)(C)C)c1ccc(N)cc1O 1952989132 MFBDWFLUJNOOHU-SUMWQHHRSA-N 306.406 3.370 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H](F)C[C@@H]1c1cccc(N)c1O 1953066174 JCXNIUIVRKHDCF-ZWNOBZJWSA-N 310.369 3.385 10 10 DGCE CN1CCc2cc([C@H](O)[C@@H](N)c3ccc(Cl)s3)ccc21 2147648845 JQHKPIBSTQEQOF-GJZGRUSLSA-N 308.834 3.127 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@]2(Nc2ccc(N)cc2)C1 1977685834 WFNAOBLNUSGCCA-FZKQIMNGSA-N 317.433 3.470 10 10 DGCE CC(C)(C)OC(=O)N1CCN(Cc2ccc(N)cc2)CC1(C)C 1977894845 VGMPTANKSLAILU-UHFFFAOYSA-N 319.449 3.100 10 10 DGCE CNCc1ccc(N2CC[C@H]2C(F)F)c(Br)c1 2004451052 IUYDXOAJSKPPFG-NSHDSACASA-N 305.166 3.012 10 10 DGCE C[C@@H](F)[C@@H]1CCCN1c1ccc(CN)cc1Br 2010590223 HLTSLPUPGGMOER-SKDRFNHKSA-N 301.203 3.235 10 10 DGCE C[C@@H](N)c1ccc(N(C)C[C@H]2C[C@@H]2F)cc1Br 2014704118 CSAAUTQFAMJFPP-KKFJDGPESA-N 301.203 3.263 10 10 DGCE CCCN(CCOC)c1ccc([C@H](C)N)c(Br)c1 2036708550 NYXJFFIHQCPXFQ-NSHDSACASA-N 315.255 3.332 10 10 DGCE CN1CCc2cc([C@H](N)c3occc3Br)ccc21 2037094440 KJUSBDWPVPEQGQ-ZDUSSCGKSA-N 307.191 3.083 10 10 DGCE CO[C@@H]1C[C@H]2C[C@H]1C[C@H]2Nc1c(N)cccc1Br 2040793869 CELCSYKLALKFHX-OTMMVIPVSA-N 311.223 3.257 10 10 DGCE CCN(Cc1cc(Br)ccc1O)[C@H]1CCCOC1 402708134 BMWIUBSNFIZVCR-ZDUSSCGKSA-N 314.223 3.156 10 10 DGCE CC1(C)CN(Cc2cc(Cl)cc(Cl)c2O)CC[C@H]1N 388741849 YZMVJARCUAXFDN-GFCCVEGCSA-N 303.233 3.258 10 10 DGCE CNCc1ccc(N(C)Cc2ncc(Cl)n2C)c(Cl)c1 2166115239 RRXMOBPXIUYJJO-UHFFFAOYSA-N 313.232 3.083 10 10 DGCE Cc1cccc(C[C@H](O)Cc2ccc(N)cc2)c1Br 2087871925 GDXSHEXZNLTNDV-OAHLLOKOSA-N 320.230 3.486 10 10 DGCE Cc1cnn(C)c1[C@H](C)NCc1cc(Br)ccc1O 2094117980 MIIRCAKAQZCKLN-JTQLQIEISA-N 324.222 3.047 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN1Cc1nscc1Br 2211138431 UWDUSGQNOOBRQT-ZETCQYMHSA-N 302.201 3.180 10 10 DGCE C[C@@H](N)c1ccc2c(c1)CCCN2C[C@@]1(Cl)CC1(F)F 2205572031 WXSAKTZAEWDVJM-YGRLFVJLSA-N 300.780 3.476 10 10 DGCE CN(C)[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CC1(C)C 2236257542 VQQNFGRECIXTSK-CYBMUJFWSA-N 317.260 3.471 10 10 DGCE Oc1cccc(Cl)c1CN[C@H](C(F)F)C1CCOCC1 2239538276 QPQOORRRVUXKPH-ZDUSSCGKSA-N 305.752 3.196 10 10 DGCE CCOc1ncc(CN(C)c2ccc(CO)cc2Cl)s1 2239974857 BOCZUGLCNRGLLB-UHFFFAOYSA-N 312.822 3.324 10 10 DGCE O=S(=O)(C=Cc1ccc(F)cc1)Nc1ccc(O)cc1F 2308741020 HHGBLPJAXDFWCR-UHFFFAOYSA-N 311.309 3.083 10 10 DGCE OCc1ccc(N2CC[C@](F)(C(F)F)C2)cc1Br 2315958898 KLSKBWNKCKYHNO-GFCCVEGCSA-N 324.140 3.125 10 10 DGCE Oc1cc(Br)ccc1CN[C@@H]1C[C@@H]2C[C@H]1[C@@H]1C[C@@H]21 2309575461 QHHGYQIBANYJQZ-FRVYIDGWSA-N 308.219 3.289 10 10 DGCE COC(=O)C1CCN(N=Nc2ccc(N3CCCC3)cc2)CC1 2330221541 YTPDYDWXYKLWQP-UHFFFAOYSA-N 316.405 3.171 10 10 DGCE CC[C@H]([C@H](C)N)N(C)Cc1ccc(C)c(Br)c1O 2327610436 UXWNTCBXQFKACF-CMPLNLGQSA-N 315.255 3.021 10 10 DGCE Cc1ccc(CN(C)[C@H](C)C[C@@H](C)O)c(O)c1Br 2327791014 YFFMLVQCAVFHTF-GHMZBOCLSA-N 316.239 3.054 10 10 DGCE CCC1CC(=O)N(c2c(Cl)cc(N)cc2Cl)C(=O)C1 2340235723 QZEHLZVVEDIGSC-UHFFFAOYSA-N 301.173 3.255 10 10 DGCE Cc1ccc(CNC(=O)[C@@H]2CC[C@@H]3C[C@H]32)c(O)c1Br 2352946044 FHGRMGAJMBEEEU-YUSALJHKSA-N 324.218 3.125 10 10 DGCE C[C@@H](C(=O)Nc1ccc(N)cc1)N(C)Cc1ccc(Cl)s1 48971402 OECDSGNTVYHAQY-JTQLQIEISA-N 323.849 3.443 10 10 DGCE CCN(c1ccc(N)cc1)S(=O)(=O)c1ccc(C)cc1C 63114507 LBBDJPWYPAGAJN-UHFFFAOYSA-N 304.415 3.101 10 10 DGCE COc1ccc(CN2C[C@H](c3ccsc3)O[C@H](C)C2)c(O)c1 93769118 QQVNGRONYUBBQB-SJKOYZFVSA-N 319.426 3.424 10 10 DGCE CCN1CCC(CCN[C@H](C)c2cc(OC)ccc2O)CC1 185563810 KCJPTROESCMFQX-CQSZACIVSA-N 306.450 3.173 10 10 DGCE COc1ccc(N(C[C@@H](O)CC(F)(F)F)C(C)C)cc1F 189646202 YIUMAUHXPJBCAP-NSHDSACASA-N 309.303 3.362 10 10 DGCE CCc1cnc(CNCc2cc(Cl)c(F)cc2O)s1 293688089 SAHISIQFMDSVDQ-UHFFFAOYSA-N 300.786 3.493 10 10 DGCE CCCNCc1ccc(N2C[C@@H]3C[C@H]3C2)c(Br)c1 379546311 FZGLJLFLTTURPN-STQMWFEESA-N 309.251 3.405 10 10 DGCE C[C@@H]1O[C@H](C)[C@@H](NCc2cccc(Br)c2O)[C@@H]1C 527804332 OMIAIDHWCNXVGA-COMAGPEQSA-N 314.223 3.056 10 10 DGCE CN(C)c1ccc(CNC(=O)N[C@H]2CCc3ccccc3C2)cc1 749415635 FPEDFCVCDMKJNE-SFHVURJKSA-N 323.440 3.109 10 10 DGCE C[C@@H]1C[C@H](N[C@H](CO)c2ccsc2)c2c(O)ccc(F)c21 769990654 VUEFMRMRDPGDHF-JIMOISOXSA-N 307.390 3.464 10 10 DGCE COc1ccc(O)c([C@@H](C)Nc2nc(C)cc(C)c2[N+](=O)[O-])c1 781662820 XECLBNDSQTYRGU-LLVKDONJSA-N 317.345 3.494 10 10 DGCE O=C(N[C@@H]1CCCc2ccccc21)c1c(F)ccc(O)c1O 789940525 CLVMPMXRRRGEAA-CYBMUJFWSA-N 301.317 3.044 10 10 DGCE CCC1(C)CN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C1 812483056 CKULAPBGNDIHIR-VURMDHGXSA-N 304.346 3.017 10 10 DGCE C[C@H](N)c1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2O)cc1 817962105 GBXWGOMCMZITBP-NWDGAFQWSA-N 315.373 3.171 10 10 DGCE CCOc1ccc(O)c(CN2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1 824695700 BHFCFEKFGLCFBD-YQVWRLOYSA-N 319.445 3.306 10 10 DGCE Oc1cc2c(cc1CN1CC3(CCC3)[C@@H]1c1ccco1)OCO2 825104034 LATTWRMOVYPXPY-KRWDZBQOSA-N 313.353 3.441 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@@H]2CC[C@H](OC)C2)cc1F 826941432 JHUDNLPNGBSWMC-CABCVRRESA-N 322.424 3.103 10 10 DGCE CC(C)N1CCC[C@@H](CNC/C=C\c2ccc(N(C)C)cc2)C1 835038577 UBTQVEJJWAEVGR-WPGJWXSHSA-N 315.505 3.476 10 10 DGCE CN(C)c1ccc(CNC(=O)N2CC(C(C)(C)C)C2)cc1F 838029781 QTWLPCHFRBKFMK-UHFFFAOYSA-N 307.413 3.079 10 10 DGCE COc1cccc(CN2C[C@@H](C)NCc3ccc(F)cc32)c1O 841046693 DPCDSOWRLJFGGX-GFCCVEGCSA-N 316.376 3.038 10 10 DGCE Cc1cccc(CNC[C@H]2CSc3ccccc3O2)c1O 843417299 ADJLHGRVAUEWIW-AWEZNQCLSA-N 301.411 3.344 10 10 DGCE CCN(CC)c1ccc(CNCCO[C@H]2CC2(F)F)cc1F 850365336 GFWADISWCSMRQP-HNNXBMFYSA-N 316.367 3.186 10 10 DGCE COc1ccc(N2CC[C@@H](Nc3ncc(Cl)s3)C2)cc1 853758170 AXPIEHIATURTON-SNVBAGLBSA-N 309.822 3.496 10 10 DGCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H]2[C@H]3CCC[C@H]32)c1 861379122 FYOIULATFUBXLW-REPLKXPHSA-N 322.408 3.435 10 10 DGCE C[C@@H](NC(=O)NCC1(C(F)(F)F)CC1)c1ccccc1O 868601366 NCYAOJOWFDNWQQ-SECBINFHSA-N 302.296 3.095 10 10 DGCE Cc1ccc(O)c(CNCC[C@@H]2CCC3(CCOCC3)CO2)c1 886300763 PBNWPYYQZUBTLG-KRWDZBQOSA-N 319.445 3.156 10 10 DGCE CC[C@@H](NCc1nc(CN(C)C)cs1)c1ccc(C)cc1O 903220600 PYAMNPKCBAYHPY-OAHLLOKOSA-N 319.474 3.460 10 10 DGCE Cc1scc(CNC(=O)NCc2c(O)cccc2F)c1C 923605671 HHWDWTASUWFUFA-UHFFFAOYSA-N 308.378 3.209 10 10 DGCE C/C(=C/c1ccccn1)C(=O)NCc1cccc(Cl)c1O 1159041329 IHOXIVDPCFDNEZ-LUAWRHEFSA-N 302.761 3.160 10 10 DGCE CN(CC(=O)NCc1c(O)ccc2ccccc12)c1ccccc1 1179028784 CYOLRVYZNICYTD-UHFFFAOYSA-N 320.392 3.298 10 10 DGCE C[C@H](NC(=O)NC[C@H]1C[C@H]2C=C[C@H]1C2)c1ccc(N(C)C)cc1 1234555704 NAZSJUVBUUAJSQ-NXNVCVFFSA-N 313.445 3.325 10 10 DGCE CC1(C)CN(C(=O)Cc2ccc(O)c(O)c2)[C@H]1c1cccs1 1298860307 PZPOGIIXNNKVTQ-INIZCTEOSA-N 317.410 3.312 10 10 DGCE O=C(Nc1n[nH]cc1C1CC1)c1cc2cc(O)c(O)cc2s1 1452221384 MZSBMRANOAJZCO-UHFFFAOYSA-N 315.354 3.165 10 10 DGCE O=C(NCc1cccc(O)c1O)c1cccc(C(F)(F)F)c1 1558159453 HABCDMUAYSVNQN-UHFFFAOYSA-N 311.259 3.047 10 10 DGCE Cc1cncc(/C=C\C(=O)NCc2cc(Cl)ccc2O)c1 1632229055 YCPYWLZWGSOLFN-DJWKRKHSSA-N 302.761 3.079 10 10 DGCE Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccccc1O 1632246689 LEQXLCJOKITKAV-LLVKDONJSA-N 300.314 3.100 10 10 DGCE O=C(NCCOc1ccc(Cl)c(F)c1)c1cc(O)cs1 1640813003 RVWRSZLCDPZPKD-UHFFFAOYSA-N 315.753 3.055 10 10 DGCE C[C@@H](Nc1ncnc(F)c1Br)c1ccccc1O 1643063731 MYRXQDUVCGTRLZ-SSDOTTSWSA-N 312.142 3.257 10 10 DGCE CCOCCOC1CCN(Cc2ccc(N(C)CC)cc2)CC1 1656988385 BIXKUHQIVGLTHY-UHFFFAOYSA-N 320.477 3.160 10 10 DGCE CN(C(=O)OC(C)(C)C)C(C)(C)CNCc1ccc(N)cc1 1929715916 CJWAEZIUPQGATH-UHFFFAOYSA-N 307.438 3.004 10 10 DGCE CN[C@H](c1ccccc1O)[C@H](C)N(C(=O)OC(C)(C)C)C1CC1 1936981517 APIRAYYYJJUXPM-LRDDRELGSA-N 320.433 3.441 10 10 DGCE CN[C@H](c1ccccc1O)[C@@H]1CCCCN1C(=O)OC(C)(C)C 1936985110 ZYVBYXASHVXHEH-GOEBONIOSA-N 320.433 3.442 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@]2(Nc3ccc(N)cc3)C[C@@H]2C1 1977675366 YHXOVHJOAUDYHD-ACJLOTCBSA-N 317.433 3.470 10 10 DGCE CN(C)c1ccc([C@H](O)CCCCNC(=O)OC(C)(C)C)cc1 1977938316 IAOUIZCURBQLTM-MRXNPFEDSA-N 322.449 3.481 10 10 DGCE C[C@@H](CN(C)C(=O)OC(C)(C)C)[C@@H](N)c1ccc(N(C)C)cc1 1977945202 MGQCTNMRUJWPEZ-XJKSGUPXSA-N 321.465 3.255 10 10 DGCE CCN1CCc2cc([C@@H](O)[C@@H](C)NC(=O)OC(C)(C)C)ccc21 1977958970 PAIBNFGJGXARDE-WBMJQRKESA-N 320.433 3.016 10 10 DGCE CN(c1ccc(N)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 1977964874 ARVXMBZEIDJFLD-HNNXBMFYSA-N 319.449 3.495 10 10 DGCE CN(C[C@H]1CCCN(c2ccc(N)cc2)C1)C(=O)OC(C)(C)C 1977966949 AMCUXTQBYSIQBY-CQSZACIVSA-N 319.449 3.352 10 10 DGCE CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(N)c1ccccc1O 1987824169 FGJTWMNDCYRMKZ-MAUKXSAKSA-N 320.433 3.212 10 10 DGCE CC[C@H](CNCc1cccc(C)c1O)CNC(=O)OC(C)(C)C 1994450020 NMYZSXNVZCKLMB-CQSZACIVSA-N 322.449 3.341 10 10 DGCE C[C@@H](c1ccc(F)cc1O)n1nc(C2CCCC2)cc1CO 2070177386 XNDSJIZGDXTMHQ-NSHDSACASA-N 304.365 3.487 10 10 DGCE C[C@H]1CNC[C@H](C)N(Cc2cc(Cl)cc(Cl)c2O)C1 2102880287 NGXFNHBFQFEKSR-UWVGGRQHSA-N 303.233 3.129 10 10 DGCE CCNCc1ccc(N(C)C2CSC2)cc1C(F)(F)F 2145062434 UZSRHSUSHOWENQ-UHFFFAOYSA-N 304.381 3.367 10 10 DGCE CN[C@H](c1ccc(N(C)C)cc1)[C@H](O)c1ccsc1Cl 2163134543 ZSWPEVISZZGQHG-ZIAGYGMSSA-N 310.850 3.462 10 10 DGCE CCCN[C@H](C)c1cnc(Sc2ncc3n2CCC3)s1 2176937867 UWYWGFBSPBGKBL-SNVBAGLBSA-N 308.476 3.498 10 10 DGCE CCN[C@@H](C)c1ccc(N2CCOC[C@@H]2CF)c(Cl)c1 2182604981 JTKKAFYXUIVFGS-AAEUAGOBSA-N 300.805 3.185 10 10 DGCE Cc1nc(NC(=O)Cc2ccc(N)cc2)c(Cl)cc1Cl 2191651447 GWZIGRNCKZZZCU-UHFFFAOYSA-N 310.184 3.460 10 10 DGCE CSc1ncc(CN[C@@H]2CC[C@@H](P(C)(C)=O)C2)s1 2208836846 QOUWVNJBLGCBQW-NXEZZACHSA-N 304.421 3.498 10 10 DGCE CN(c1cc(Cl)c(CN)cc1F)[C@@H]1CC[C@@H]2[C@@H]1C2(F)F 2238687589 BAUPJERMNLPHAW-DYLAAIIWSA-N 304.743 3.418 10 10 DGCE NCc1cc(F)c(N2CC[C@H](OC(F)(F)F)C2)cc1Cl 2238820594 NTXCVDZJUGUBNY-QMMMGPOBSA-N 312.694 3.053 10 10 DGCE Oc1cc(Br)ccc1CN[C@@H]1CCC[C@H]1CF 2251056317 HQHKGPFXDXSAQD-JOYOIKCWSA-N 302.187 3.383 10 10 DGCE CSc1ncc(Cn2c(=N)[nH]c3cc(CF)ccc32)s1 2284690985 DGKDJWVAFXYUBQ-UHFFFAOYSA-N 308.407 3.145 10 10 DGCE CCn1cc(N2C(=O)C(=Cc3ccc(C)o3)SC2=S)cn1 2297436785 VTOJNQUJVOWGLX-UHFFFAOYSA-N 319.411 3.210 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)NCCc1cccc(Cl)c1 2307982264 WNZWNZKFLKFTPP-UHFFFAOYSA-N 317.772 3.123 10 10 DGCE CC=CC[C@H](CO)N[C@H](C)c1cc(Br)ccc1O 2309492410 ZUMHXGQEXISFSZ-ZYHUDNBSSA-N 314.223 3.132 10 10 DGCE CN[C@@H](C)c1ccc(N2CC[C@H](SC(F)F)C2)cc1O 2365707423 MRUUPROKXOTESJ-ONGXEEELSA-N 302.390 3.207 10 10 DGCE CC1=NN(c2ccccc2)C(=O)/C1=C(\C)NCc1ccccc1 16694178 RFVWYNYWLBQSJH-NBVRZTHBSA-N 305.381 3.473 10 10 DGCE CN1CCCc2cc([C@H]3Nc4ccccc4C(=O)N3C)ccc21 52118396 YLUJNUQTJFTTCE-SFHVURJKSA-N 307.397 3.265 10 10 DGCE Nc1ccc(NC(=O)CCSc2ncccc2Cl)cc1 79425223 LHFLIEWKSNZGFT-UHFFFAOYSA-N 307.806 3.438 10 10 DGCE C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@@H]1N(C)C 131459774 QJNMIAZIBFQRNK-ZANVPECISA-N 303.233 3.081 10 10 DGCE Cc1ccccc1-n1c(C)cc(C(=O)N[C@H](C)[C@@H](C)CO)c1C 151154346 HZLSGBHOCBRMKZ-DZGCQCFKSA-N 314.429 3.149 10 10 DGCE CC(C)CNCc1ccc(N2CCC(CO)CC2)c(Cl)c1 163936652 AJBFSGXVVXGCPZ-UHFFFAOYSA-N 310.869 3.294 10 10 DGCE O=C(O)/C=C/c1ccc(N2CCO[C@H]3CCC[C@@H]32)c(Cl)c1 164374495 ISYZDERQAZPEQG-CJKAQPIMSA-N 307.777 3.196 10 10 DGCE Cc1cccc2[nH]c(CCC(=O)N(C)Cc3ccccc3O)nc12 176136637 FDACMNWJDHYQRL-UHFFFAOYSA-N 323.396 3.168 10 10 DGCE Oc1ccc(Cl)cc1CNc1cccc2c1OCC[C@H]2O 184076814 AUPRQSKYHDSNOG-OAHLLOKOSA-N 305.761 3.474 10 10 DGCE CN[C@H](C)c1ccc(N2CCC[C@@H](C(F)(F)F)C2)cc1O 225213247 QGFALEDDKHMRKE-GHMZBOCLSA-N 302.340 3.451 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1 248529702 WZEHTVZGWQUYOY-WPPQDWHVSA-N 317.429 3.399 10 10 DGCE COc1cc(N(C)CC2CC(F)(F)C2)cc(OC)c1OC 294827084 AHJFRFVUEVRZJO-UHFFFAOYSA-N 301.333 3.194 10 10 DGCE Oc1ccccc1CNC[C@@H]1CCCN(Cc2ccccc2)C1 380915708 RTUVJVJBYQVQAH-SFHVURJKSA-N 310.441 3.394 10 10 DGCE C[C@@H](NCc1cnn(Cc2ccccc2)c1)c1cc(O)ccc1O 390424772 UYMVWTHAQDSHFZ-CQSZACIVSA-N 323.396 3.193 10 10 DGCE C[C@H](N)c1ccc(N(C)[C@@H]2CO[C@H](C)C2)c(Br)c1 401573336 MUTMSMBGWFOKDG-SCVCMEIPSA-N 313.239 3.082 10 10 DGCE COc1ccc(CCN[C@H]2C[C@@H](C)c3c(F)ccc(O)c32)cn1 527991456 VPUBLILDMHZTMW-RISCZKNCSA-N 316.376 3.316 10 10 DGCE CC(C)NCc1ccc(N2CC[C@@H](F)C2)cc1Br 689831716 VNUUYBMSETZOJV-GFCCVEGCSA-N 315.230 3.495 10 10 DGCE C[C@H](CNCc1cc(Br)ccc1O)c1ccccn1 692675430 RMMBGMNEAPDQEF-LLVKDONJSA-N 321.218 3.443 10 10 DGCE CC[C@@](C)(NCc1ccc(N2CCOCC2)cc1)C(F)(F)F 747814115 PRAVFYAAHIAAMU-OAHLLOKOSA-N 316.367 3.344 10 10 DGCE Cc1ccc(O)c([C@@H](C)NCc2nccn2CC(F)(F)F)c1 756539953 YBFUQFLFHZCXED-LLVKDONJSA-N 313.323 3.310 10 10 DGCE COC(=O)c1ccc(O)c([C@H](C)NCc2ccc(Cl)o2)c1 756791928 YVMVGXLBRWPHQZ-VIFPVBQESA-N 309.749 3.276 10 10 DGCE Oc1cccc(Cl)c1CNc1cccc2c1OCC[C@@H]2O 766083895 DKHIJRKEZGQMEH-HNNXBMFYSA-N 305.761 3.474 10 10 DGCE CCOc1ccc(N(CC)Cc2cnc(OC)nc2C)cc1 799129285 OUALVXZIZDFMOZ-UHFFFAOYSA-N 301.390 3.219 10 10 DGCE Cc1cc(Br)c(O)c(CN[C@@H]2CSC2(C)C)c1 801735292 JDTPXFVEBKWSLK-LLVKDONJSA-N 316.264 3.447 10 10 DGCE COc1ccc(N2CC[C@H](CNC(=O)C(F)=C3CCC3)C2)cc1 819588508 WQJQOMNQQVHIIG-CYBMUJFWSA-N 318.392 3.045 10 10 DGCE Cc1ccc(O)c(CN2C[C@@H](C)O[C@H](CC(F)(F)F)C2)c1 827789906 YGIPTIKLOVYKJF-DGCLKSJQSA-N 303.324 3.242 10 10 DGCE CN(C)c1ccc(/C=C\CN2CC[C@H](N3CCCCC3)C2)cc1 835027274 JSHNKVUUHKXCIM-HCZHMGAMSA-N 313.489 3.326 10 10 DGCE Cc1ccc(CN(C/C=C/c2ccc(N(C)C)cc2)CCO)o1 835050905 GCGRWKOLOFTFEH-SNAWJCMRSA-N 314.429 3.162 10 10 DGCE COc1ccc(CN[C@@H](CSCC=C(C)C)C(=O)O)cc1C 841810585 JFUUUFSVXNXTMA-HNNXBMFYSA-N 323.458 3.246 10 10 DGCE Nc1ccc(CCNC(=O)N2CC3C[C@H]4CC2C[C@@H](C3)C4)cc1 841956317 BZVJFKSTBRLMCI-SFYZZRBRSA-N 313.445 3.031 10 10 DGCE CCO[C@@H]1C[C@@H](NCc2cccc(Cl)c2O)[C@@H]1SC 843429550 FRVGGUCVOCTVMH-BZPMIXESSA-N 301.839 3.044 10 10 DGCE CCOCc1cc(CNCCC2CC(OC)C2)ccc1OC 850343626 QBMWIMOTWWZTKD-UHFFFAOYSA-N 307.434 3.136 10 10 DGCE COc1ccc(N2CC[C@H](Nc3ccnc(C4CC4)n3)C2)cc1 853759229 PTURZRAVUFBUNH-AWEZNQCLSA-N 310.401 3.053 10 10 DGCE CC/C(C)=C(\C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855224515 FQUCBFVSWFWNOG-BUYIWHAFSA-N 302.418 3.137 10 10 DGCE C[C@@H]1O[C@H](C)C[C@@H]1N[C@H](C)c1cc(Br)ccc1O 866443407 LXGADMPCTDXAMP-DNJQJEMRSA-N 314.223 3.371 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)C(C)(C)c1nccs1 900732804 NKKFEOQLELEQQM-UHFFFAOYSA-N 317.458 3.112 10 10 DGCE OC1CCN(c2ccc(CN[C@@H]3C[C@H]4C=C[C@@H]3CC4)cc2)CC1 926725803 USHDTCLAQIPLDI-XAUMDUMWSA-N 312.457 3.092 10 10 DGCE CCC(CC)n1nc(C)cc1C(=O)NCc1c(O)cccc1F 928707138 ATQKAQRVCOXGFY-UHFFFAOYSA-N 319.380 3.327 10 10 DGCE CCCCN(Cc1cnn(CCF)c1)Cc1ccccc1O 930351651 QGXDZRFNWYJQEH-UHFFFAOYSA-N 305.397 3.361 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2C[C@@H](C)O[C@@H]2C)cc1 1135946113 GJSPYKMHGBXHIZ-IIDMSEBBSA-N 318.461 3.305 10 10 DGCE Cc1cc(F)c(CNC(=O)/C=C/c2ccc(O)c(O)c2)c(F)c1 1156670097 PCSQKBYYIWYWOI-HWKANZROSA-N 319.307 3.014 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)c1ccc2c(c1)CCC2 1165499262 YLBLDUYJLMXUAZ-UHFFFAOYSA-N 301.773 3.464 10 10 DGCE COC[C@H](CN1CCCN(c2ccc(OC)cc2)CC1)C(C)C 1167107620 FKIRRCALEZYLLT-KRWDZBQOSA-N 320.477 3.126 10 10 DGCE O=C(N[C@@H]1CCCc2ccccc2C1)N1Cc2cccc(O)c2C1 1256003282 YDDNPXKOMBLZPO-QGZVFWFLSA-N 322.408 3.365 10 10 DGCE COc1cc(N2Cc3ccccc3C2)c([N+](=O)[O-])cc1OC 1306959175 NTWNCKXEFAGZSM-UHFFFAOYSA-N 300.314 3.132 10 10 DGCE CC[C@@H]1Cc2ccccc2CN1C(=O)Cc1ccc(O)c(O)c1 1447375276 GSUFHQCILHQKTD-MRXNPFEDSA-N 311.381 3.004 10 10 DGCE C[C@@H]1CC[C@@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)C1 1556468172 BHZFRGLZSDJEBI-NXEZZACHSA-N 305.399 3.479 10 10 DGCE Cc1cc(CN2Cc3ccccc3NC(=O)[C@H]2C)ccc1N(C)C 1559989573 SSUMMNLAPMCBES-OAHLLOKOSA-N 323.440 3.404 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)N[C@@H]2COC[C@@H]2C)c1 1597046182 XYUOVKOVZRDNIM-SUMWQHHRSA-N 312.413 3.167 10 10 DGCE CCc1nc(-c2ccccc2NC(=O)c2cc(O)cs2)n[nH]1 1623169775 LKGSRPNYCYNNHI-UHFFFAOYSA-N 314.370 3.054 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N[C@@H](c2cccnc2)C2CC2)cc1 1633054511 ZXNGMHRYBLNGFT-OAHLLOKOSA-N 323.356 3.125 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1C[C@H]1C(C)C 1635992639 VLLMDDWOLMGODZ-JCGIZDLHSA-N 317.477 3.336 10 10 DGCE COc1ccccc1SCC(=O)N[C@H](C)c1ccccc1O 1648889615 DTQOQTZOLAFJPK-GFCCVEGCSA-N 317.410 3.370 10 10 DGCE O=[N+]([O-])c1ccc(N=c2[nH]nc(C3CCCCC3)s2)c(O)c1 1859857873 NKPLEMROASAZDX-UHFFFAOYSA-N 320.374 3.365 10 10 DGCE CCN1CCN(/N=N/c2cccc(OC(F)(F)F)c2)CC1 1860487646 IEHTVKIYDFXADE-ISLYRVAYSA-N 302.300 3.221 10 10 DGCE Cc1cnc(C(=O)Nc2ccc(Oc3ccc(N)cc3)cc2)cn1 1866000635 GWXNEWAVWZSRGT-UHFFFAOYSA-N 320.352 3.412 10 10 DGCE CC[C@H](N[C@@H]1C[C@H]1COC)c1cc(Br)ccc1O 1875837200 QUWTZFTUTPNAOF-TVYUQYBPSA-N 314.223 3.230 10 10 DGCE C[C@H](NCc1ncccc1Br)c1c(O)cccc1O 1927118470 WGRDVLZIQHUSNG-VIFPVBQESA-N 323.190 3.106 10 10 DGCE CN[C@H](c1ccccc1O)[C@H](C)CN(C)C(=O)OC(C)(C)C 1928467666 NFUKISPFFWBGOW-DOMZBBRYSA-N 308.422 3.156 10 10 DGCE CCSC1CN(c2ccc([C@@H](C)O)c(Br)c2)C1 1948318653 WCPIDBMPUIUJOD-SECBINFHSA-N 316.264 3.444 10 10 DGCE O=C(O)[C@@H]1CCN[C@H]1c1c(O)c(Cl)cc(Cl)c1Cl 1952795590 SIAIECCVMZPLPY-ALFREKQPSA-N 310.564 3.088 10 10 DGCE CN(C)c1ccc([C@@H](N)CCCNC(=O)OC(C)(C)C)cc1 1959562854 SQYRZJZYBLYWER-HNNXBMFYSA-N 307.438 3.057 10 10 DGCE Cc1cccc(N)c1N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1F 1977665802 DJOMEXFRUAHSTG-OCCSQVGLSA-N 323.412 3.337 10 10 DGCE N[C@@H]1CCc2cc(N(Cc3ccccc3)[C@@H]3CCOC3)ccc21 1986607229 UQZRXHWFQWJSBF-UYAOXDASSA-N 308.425 3.428 10 10 DGCE CN(CC1(Br)CC1)c1ccc(CN)cc1Cl 1991489590 GCQBOFOPDRLTGH-UHFFFAOYSA-N 303.631 3.162 10 10 DGCE Cc1cc([C@@H](NN)c2ccccc2O)ccc1Br 2029556056 ORFRDNJGEUKZDB-CQSZACIVSA-N 307.191 3.016 10 10 DGCE NCc1cc(F)c(N2CC[C@H]2CC2CC2)cc1Br 2036520855 OQCYIAXMHONLIT-NSHDSACASA-N 313.214 3.426 10 10 DGCE CN(C)[C@H]1CC[C@H](Nc2c(N)cccc2Br)CC1 2057767245 XJMTVWCOICNVIS-XYPYZODXSA-N 312.255 3.316 10 10 DGCE CCOc1ccc(CN[C@@H]2c3cnn(C)c3CC[C@H]2F)cc1C 2062229450 UGNHJWGXEROTEN-CRAIPNDOSA-N 317.408 3.242 10 10 DGCE CN(Cc1ccc(N)cc1)c1ncc(F)cc1Br 2068334140 APUBWCFXDGNWKZ-UHFFFAOYSA-N 310.170 3.202 10 10 DGCE CCc1nn([C@H](C)c2cc(C)c(C)cc2O)c(Cl)c1C(N)=O 2079943982 KAOXFIGNPHIACE-SNVBAGLBSA-N 321.808 3.130 10 10 DGCE Cc1cc(N2C[C@@](C)(F)[C@](C)(Br)C2)ccc1CO 2084857544 VLZJNYXPQSUKQD-ZIAGYGMSSA-N 316.214 3.189 10 10 DGCE CN(CCC(F)(F)C(F)F)c1c(F)cc(CO)cc1F 2166642994 HSYJISVYMDGYAI-UHFFFAOYSA-N 301.230 3.184 10 10 DGCE COc1ccc(N2CCC(O)(C(F)(F)F)CC2)cc1Cl 2235229491 YLMTZTVZAAZJKC-UHFFFAOYSA-N 309.715 3.242 10 10 DGCE CN1C(=O)C(=Cc2cccc(OC(F)(F)F)c2)SC1=S 2297477063 LVFSWWNIBPCNOM-UHFFFAOYSA-N 319.329 3.416 10 10 DGCE CCC(C)(C)[C@](C)(NCc1cnc(SC)s1)C(=O)O 2349507457 GUNGFJXCMDPWEG-CYBMUJFWSA-N 302.465 3.234 10 10 DGCE CN1C(=O)/C(=C\c2ccc(N3CCOCC3)cc2)c2ccccc21 5155651 PLKTYLQOQKLACO-JXAWBTAJSA-N 320.392 3.040 10 10 DGCE CCN(Cc1cccs1)C(=O)CCOc1ccc(N)cc1 44353683 OCIUXWVSUIPTFU-UHFFFAOYSA-N 304.415 3.148 10 10 DGCE CCCN(CCCOCC(F)(F)F)Cc1ccc(N)cc1 49312626 CKPOQGICTIGWDU-UHFFFAOYSA-N 304.356 3.450 10 10 DGCE COC(=O)[C@@H](NCc1cc(Cl)ccc1O)c1ccccc1 50506548 MLARMFSMMANVOA-HNNXBMFYSA-N 305.761 3.050 10 10 DGCE Cc1cc(OC[C@@H](O)COc2ccc(N)cc2)ccc1Cl 51327870 JPBUYWYTHHRFNW-ZDUSSCGKSA-N 307.777 3.049 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)N(C)C[C@@H]1CCCO1 102897974 XZTSUYQFAMUVSY-AWEZNQCLSA-N 318.442 3.407 10 10 DGCE CCCNCc1ccc(N2C[C@H](C)N(C)[C@@H](C)C2)c(Cl)c1 127891623 TXIRAYVTBJMNJL-KBPBESRZSA-N 309.885 3.368 10 10 DGCE C[C@H](NC[C@@H](C)CN1CCCCC1)c1ccc(F)c(F)c1O 191211206 UGBPLIYJPPLYBJ-OLZOCXBDSA-N 312.404 3.443 10 10 DGCE CC(C)(C)COC(=O)/C=C\c1ccc(N2CCOCC2)cc1 255919897 NPBLHGSVRGWAIS-TWGQIWQCSA-N 303.402 3.126 10 10 DGCE CCOc1cccc(CN[C@H](C)[C@@H](O)c2ccccc2)c1O 288432198 BROYTQPRAUTNDQ-CXAGYDPISA-N 301.386 3.003 10 10 DGCE OC[C@H]1C[C@H]2CC[C@H]1N2Cc1ccc(N2CCCCC2)cc1 290879564 KSWUASSKTIMGMM-BHIYHBOVSA-N 300.446 3.022 10 10 DGCE CN(CCOCc1ccccc1)c1ccc(CN)c(Cl)c1 383892013 ACBBBKTVCMPHPS-UHFFFAOYSA-N 304.821 3.452 10 10 DGCE NCc1ccc(N2CCC(OCc3ccccc3)CC2)cc1F 383893925 BWTBLMJTYGRWDV-UHFFFAOYSA-N 314.404 3.470 10 10 DGCE CCc1ccc(/C=C\C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)o1 588506354 QJUKMBZUDYNXCP-UPZNUWHASA-N 315.369 3.014 10 10 DGCE C[C@H]1CCC[C@@H](CNCc2ccc(Br)cc2O)O1 691464837 GPMVQYGLVHUGOT-GWCFXTLKSA-N 314.223 3.202 10 10 DGCE CCCO[C@@H]1CCN(Cc2c(O)cccc2Br)C1 707142182 IFUNFVDOOGOCBE-LLVKDONJSA-N 314.223 3.156 10 10 DGCE Oc1c(F)cc(Br)cc1CNc1cnsc1 715804997 UBWMQYQERJPHQC-UHFFFAOYSA-N 303.156 3.362 10 10 DGCE CCOc1ccc(O)c(CNCCN2CCCC(C)(C)C2)c1 767737053 GNTVPUNWYVIZNA-UHFFFAOYSA-N 306.450 3.003 10 10 DGCE Cc1ccccc1CC1CN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 779527377 KUNYNQPOVICPCX-CLFYSBASSA-N 323.392 3.121 10 10 DGCE C[C@H]1C[C@@H](NC[C@@H](O)Cc2ccccc2)c2c(O)ccc(F)c21 806167704 GFLUYATTWWXVJS-DUVNUKRYSA-N 315.388 3.273 10 10 DGCE C[C@@H](NC(=O)CC[C@@H]1CCCCN1C)c1ccc(N(C)C)cc1 807274343 OIUZLYVYKQEVPK-QAPCUYQASA-N 317.477 3.194 10 10 DGCE Cc1cccc(-n2c(C)cc(C(=O)N3CCO[C@H]4C[C@@H]43)c2C)c1 816898631 FBULMDIEKKDJAQ-ROUUACIJSA-N 310.397 3.016 10 10 DGCE CN(Cc1cccs1)c1ccc(CN2CCO[C@H]3C[C@@H]32)cc1 824426860 DSXLJFQHJLHRBQ-ROUUACIJSA-N 314.454 3.358 10 10 DGCE CN(C)c1ccc(CNC(=O)C(C)(C)CC(F)(F)F)cc1F 824669268 HNDCXRAYESESRH-UHFFFAOYSA-N 320.330 3.487 10 10 DGCE CC(C)NC1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 835027712 NSDXYOKNXUZVFI-WAYWQWQTSA-N 301.478 3.228 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCO[C@@H](c3ccco3)C2)cc1 835027975 HUGOUPQXWQQPOO-MEDHRJKHSA-N 312.413 3.432 10 10 DGCE C[C@@H]1CC[C@@]2(CCN(C(=O)NCCc3ccc(N)cc3)C2)C1 841959007 KECXVUGUOILCLR-RDTXWAMCSA-N 301.434 3.033 10 10 DGCE Cc1cc(Cl)cc(CN[C@@H]2CCCN3CCCC[C@@H]23)c1O 848928010 UCLPATMISMCRMO-CVEARBPZSA-N 308.853 3.461 10 10 DGCE CSc1cc(N2Cc3cccc(O)c3C2)nc(SC)n1 866117049 FNRAUAAPUXATIO-UHFFFAOYSA-N 305.428 3.146 10 10 DGCE COCc1csc(CNC(=O)N[C@@H](C)c2ccccc2O)c1 868773237 JKDBKMFAXOVBRR-NSHDSACASA-N 320.414 3.161 10 10 DGCE O=C(NC1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12)c1cc2cc(O)c(O)cc2s1 896986772 VLHMXFZEVNACMQ-RVGFXMDRSA-N 315.394 3.087 10 10 DGCE C[C@@H](N[C@H]1C[C@@H]2OC(C)(C)O[C@@H]2C1)c1ccc(N(C)C)cc1 927056111 RIKZWDWGBLNLDP-WNOSKKOXSA-N 304.434 3.086 10 10 DGCE COc1ccc(N(CCCCCNC(C)=O)CC2CC2)cc1 930643592 WOIGDCGLCOFLDL-UHFFFAOYSA-N 304.434 3.218 10 10 DGCE C[C@H]1CC(F)(F)CCN1Cc1ccc(N2CCOCC2)cc1 931256364 XUJNONVFVOQBOR-AWEZNQCLSA-N 310.388 3.143 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C 1126082409 MGRSNCPIAWBDOJ-OWIUFQIYSA-N 300.446 3.359 10 10 DGCE CC(=O)c1cc(F)cc(CN2CCCC[C@H]2[C@@H]2CCCO2)c1O 1176927491 SJIUUNCBWCWMAU-IRXDYDNUSA-N 321.392 3.267 10 10 DGCE Cc1cc(O)c(CN2CCN(C(=O)CC(C)C)CC2)c(Cl)c1 1325580301 BBGLLZWQYFUUKP-UHFFFAOYSA-N 324.852 3.044 10 10 DGCE O=C(Cc1ccccc1)NCc1cc(Br)ccc1O 1326456880 IAQYXYVFIQNLCT-UHFFFAOYSA-N 320.186 3.014 10 10 DGCE O=C(NCc1c(O)cccc1O)c1cc2cc(Cl)sc2[nH]1 1456323602 URBCLYAVNBLELJ-UHFFFAOYSA-N 322.773 3.224 10 10 DGCE O=C(NCCCSc1ccccc1)c1c(F)ccc(O)c1O 1457528479 PAPHPTATHBXFFY-UHFFFAOYSA-N 321.373 3.149 10 10 DGCE C/C(=C\C(=O)N(C)c1ccc(F)c(Cl)c1)c1cnccn1 1458394226 FMFZHLCBTYPLRI-JXMROGBWSA-N 305.740 3.335 10 10 DGCE c1cn(-c2ccc(NCc3ccc(N4CCCC4)cc3)cc2)nn1 1474054758 AWJZVELKLGUBMU-UHFFFAOYSA-N 319.412 3.480 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1CCC(C)(C)CO1 1540518511 QYTKSIPQVWJJQD-QGZVFWFLSA-N 318.461 3.306 10 10 DGCE CCc1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)c(O)c1 1544308368 JLTUSFAJXRTTMY-UHFFFAOYSA-N 316.376 3.090 10 10 DGCE Cc1cc(C=O)c(O)c(C(=O)Nc2cccc(N3CCCC3)c2)c1 1544687527 LRWYLKVNIDBRCD-UHFFFAOYSA-N 324.380 3.366 10 10 DGCE COC(=O)c1cnc(NCc2cc(C)ccc2O)c(Cl)c1 1612628251 TYAQXPLWNYONHU-UHFFFAOYSA-N 306.749 3.148 10 10 DGCE C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1cc2ccccc2o1 1634110674 DTAXARYIOIKAFM-LLVKDONJSA-N 311.337 3.264 10 10 DGCE C[C@@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1O 1635794089 VQMLWHFNAGIUEW-SECBINFHSA-N 320.732 3.445 10 10 DGCE O=C(C[C@@H]1OCc2ccccc21)NCc1cccc(Cl)c1O 1637232319 PRKFBWGWVRICJV-HNNXBMFYSA-N 317.772 3.323 10 10 DGCE Cn1ncc(C(=O)NCc2c(O)ccc3ccccc23)c1C1CC1 1639384111 FPJKXKPJXFYMFN-UHFFFAOYSA-N 321.380 3.086 10 10 DGCE COc1ccc(CNC[C@@H](C)CNC(=O)[C@H](C)C(C)C)cc1C 1715260774 YIBPNDGEZRPBCR-GDBMZVCRSA-N 320.477 3.138 10 10 DGCE COc1ccc(CN[C@H](C)CNC(=O)C[C@H](C)C2CC2)cc1C 1774049056 BIAWCNVFHDWCIO-DZGCQCFKSA-N 318.461 3.034 10 10 DGCE Cc1nc(Br)ccc1NC(=O)Nc1ccc(N)cc1 1876149441 MSGDZCGLDSGLBH-UHFFFAOYSA-N 321.178 3.379 10 10 DGCE Nc1ccc(N2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1 1895017968 RXTWCKJPLKMMRQ-QZTJIDSGSA-N 307.441 3.227 10 10 DGCE OC1C[C@@H]2CN(c3ccc(OCc4ccccc4)cc3)C[C@H]2C1 1899870610 OKHWLONEPLBVJC-IAGOWNOFSA-N 309.409 3.473 10 10 DGCE O=C(O)C=Cc1ccc(N2CC[C@H]3C[C@H]3C2)cc1Br 1911871982 HGZZWFMHMFALAI-RYUDHWBXSA-N 322.202 3.393 10 10 DGCE CNCc1ccc(N(Cc2ccccc2)[C@@H](CO)C2CC2)c(C)c1 1915149662 SQGNLEYTQBOOFL-NRFANRHFSA-N 324.468 3.492 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CCC[C@](N)(c2ccccc2O)C1 1933867410 RZDBLMXPWNEMRY-YVEFUNNKSA-N 306.406 3.014 10 10 DGCE CN[C@H](c1ccccc1O)[C@@H](NC(=O)OC(C)(C)C)C1(C)CC1 1937586416 YZMDYJPSMHQIHQ-HUUCEWRRSA-N 320.433 3.346 10 10 DGCE C[C@@H]1CC[C@H](Nc2ccc(N)cc2)CN1C(=O)OC(C)(C)C 1959359585 MPSYZQCGDNTXQT-DOMZBBRYSA-N 305.422 3.469 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](Nc3ccccc3N)C[C@H]21 1959360670 DTPSBJZBZBVYDU-KCPJHIHWSA-N 303.406 3.079 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1Nc1ccc(N)cc1 1959372973 BFNLVHSGOYBBSY-WFASDCNBSA-N 305.422 3.374 10 10 DGCE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2ccc(N)cc2)C1 1959567212 NLVGXGOXBZJOFM-OLZOCXBDSA-N 305.422 3.008 10 10 DGCE CCN(CCN=[N+]=[N-])C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1962297762 AKTXKOCUOPSZRF-CYBMUJFWSA-N 311.430 3.266 10 10 DGCE COc1cc(Cl)cc(CN[C@@H](C)c2snnc2C)c1O 1967779476 XEBLHSAZSCGIHB-ZETCQYMHSA-N 313.810 3.065 10 10 DGCE CO[C@H]1[C@H](NCc2c(O)cccc2Br)CC1(C)C 1974289798 KKQSBULOGVSKPX-YPMHNXCESA-N 314.223 3.058 10 10 DGCE CCN(CCCNCc1c(C)cccc1O)C(=O)OC(C)(C)C 1976876567 YYLFUDTXBDQAPY-UHFFFAOYSA-N 322.449 3.437 10 10 DGCE CN1CCc2cc([C@H](O)C(C)(C)NC(=O)OC(C)(C)C)ccc21 1977938616 KJOZZWPDBHGXPZ-HNNXBMFYSA-N 320.433 3.016 10 10 DGCE C[C@H](O)c1ccc(N2C[C@@H]3[C@H](CCN3Cc3ccccc3)C2)cc1 2015069529 UTKMLISZMYCNEH-LDQXTDLNSA-N 322.452 3.451 10 10 DGCE CNCc1ccc(N2CCC(C)=C(Br)C2)c(F)c1 2034760666 YTTAKCLSAZMFTE-UHFFFAOYSA-N 313.214 3.424 10 10 DGCE CN(Cc1c(O)cccc1Br)[C@H]1CCOC1(C)C 2036279300 JJFRIBMNWPFZDR-ZDUSSCGKSA-N 314.223 3.154 10 10 DGCE CC[C@H](COC(F)F)NCc1cccc(Br)c1O 2067269039 UHIBGGQLMMWCRX-SECBINFHSA-N 324.165 3.262 10 10 DGCE CNCc1cc(C(C)C)nn1[C@@H](C)c1cc(OC)ccc1O 2070173525 MHFAINMIACSAPK-LBPRGKRZSA-N 303.406 3.049 10 10 DGCE CN(Cc1ccc(Br)cc1O)C[C@@]1(C)CCCO1 2071881489 OPPOENXOCSODOL-CQSZACIVSA-N 314.223 3.156 10 10 DGCE CCc1nn([C@@H](c2ccc(C)cc2O)C2(C)CC2)c(N)c1C=O 2079127005 IBFCDBOJWKRKBV-INIZCTEOSA-N 313.401 3.244 10 10 DGCE CN1CCc2cc([C@H](N)[C@@H](O)c3sccc3Cl)ccc21 2163128905 YKKZLKVCUWAAMX-UONOGXRCSA-N 308.834 3.127 10 10 DGCE C[C@@H](O)c1ccc(N(C)C[C@]2(C)CSCCO2)c(Cl)c1 2201226523 IFALDTLAZWTVPO-IAQYHMDHSA-N 315.866 3.352 10 10 DGCE CNCc1ccc(N(C)[C@H]2C[C@@H]3C[C@@H]3C2)cc1Br 2222763864 VGZVSBASLRWSHH-DABQJJPHSA-N 309.251 3.403 10 10 DGCE CCCc1nc(Sc2ncc(CNC3CCC3)s2)n[nH]1 2240009295 BOUDRFYGTXUNDG-UHFFFAOYSA-N 309.464 3.007 10 10 DGCE C[C@H](NC[C@H]1CC[C@@H]1NC(=O)OC(C)(C)C)c1ccccc1O 2244704098 MVMJQETTZHHVIF-GUTXKFCHSA-N 320.433 3.346 10 10 DGCE CSc1ncc(CN=c2[nH]nc(Cl)c3ccccc23)s1 2284700564 VCFKDRFRXDJYQF-UHFFFAOYSA-N 322.846 3.496 10 10 DGCE CCN[C@@]1(C(=O)O)CCCC[C@@H]1CCSc1nccs1 2288745329 QLLMBNCTONYLHM-RISCZKNCSA-N 314.476 3.248 10 10 DGCE CN(C[C@@H]1CCC1(F)F)c1ccc(CN)cc1Br 2313761423 DDPIVCILYRNALD-JTQLQIEISA-N 319.193 3.389 10 10 DGCE CC[C@H]1COCCN1Cc1ccc(C)c(Br)c1O 2327563108 ACCVWIYTXIIWHV-LBPRGKRZSA-N 314.223 3.074 10 10 DGCE [N-]=[N+]=NCCCN[C@H](C(=O)O)c1cc(F)c(Cl)cc1F 2362453289 VAEGWEFCLYQWON-JTQLQIEISA-N 304.684 3.034 10 10 DGCE CC(C)[C@]12C[C@H]1C(=O)N(c1c(Cl)cc(N)cc1Cl)C2=O 2365786427 TYIDSBGNHUREKX-RMLUDKJBSA-N 313.184 3.111 10 10 DGCE CCCN[C@]1(C(=O)O)CCC[C@H]1CCSc1nccs1 93629926 DULJNWJWGFEMRF-SMDDNHRTSA-N 314.476 3.248 10 10 DGCE CC(C)C[C@@H](O)[C@@H](N)c1ccc(OCc2ccccc2)cc1O 95823893 KCSRGPYBCASJAT-MOPGFXCFSA-N 315.413 3.378 10 10 DGCE COc1ccc(C)cc1NC(=O)[C@@H](C)Cc1ccc(O)c(O)c1 96642424 BJBIMASKSDEKHQ-LBPRGKRZSA-N 315.369 3.232 10 10 DGCE CC(=O)c1cc(Cl)cc(CN(C)CC2CCOCC2)c1O 107064855 FTMQGYQPIYWSAS-UHFFFAOYSA-N 311.809 3.107 10 10 DGCE NC1C[C@H]2CCC[C@H](C1)N2c1ccc(OC(F)(F)F)cc1 108030241 DRCPLAWROASVDL-CHWSQXEVSA-N 300.324 3.434 10 10 DGCE CCN(Cc1ccccc1)c1ccc(CNC2(CO)CC2)cc1 120353254 OBJQMNHQBCUINI-UHFFFAOYSA-N 310.441 3.328 10 10 DGCE CCOc1ccc(O)c(CN2CCN(c3ccccc3)CC2)c1 157533150 BBRAOGWAPABVFZ-UHFFFAOYSA-N 312.413 3.113 10 10 DGCE Cn1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c1 160306355 VDBGAUFNLZAKAY-NTEUORMPSA-N 314.435 3.427 10 10 DGCE N=C(N)c1cc(Br)ccc1Sc1nccs1 165286786 IMHFSAOVVWUONV-UHFFFAOYSA-N 314.233 3.341 10 10 DGCE Cc1cccc([C@@H]2CCCN2Cc2cc([N+](=O)[O-])ccc2O)n1 178121334 SKYLVIYZGQEPTD-INIZCTEOSA-N 313.357 3.341 10 10 DGCE Oc1ccc(-c2nc3ccc(Br)cc3[nH]2)cc1O 236577430 UYWQYFYRVBBBBT-UHFFFAOYSA-N 305.131 3.404 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@H](C)[C@@H](O)c2ccc(F)cc2)c1 248520886 RFLODBQJAXSQFW-VNBZBWLYSA-N 319.376 3.313 10 10 DGCE O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CCCc2cccc(O)c21 255544401 VBPAXTWAFUKIBM-KHPPLWFESA-N 324.336 3.293 10 10 DGCE O=C(N(Cc1ccccc1O)C[C@H]1CCCO1)C1(CCF)CC1 290900154 VOXGBVWKNMRNQU-OAHLLOKOSA-N 321.392 3.040 10 10 DGCE COC[C@@H]1CCN1Cc1ccc(OCc2ccccc2)cc1O 293532875 BZQXHTRUFZSANO-KRWDZBQOSA-N 313.397 3.192 10 10 DGCE C[C@H](NCCCN(C)Cc1ccccc1)c1cc(O)ccc1O 302832984 YDJUVEAFOISBRN-HNNXBMFYSA-N 314.429 3.271 10 10 DGCE CCNCc1ccc(N(CCO)Cc2ccccc2)c(Cl)c1 309567578 HIXGVBRRGMXRQH-UHFFFAOYSA-N 318.848 3.448 10 10 DGCE C[C@@H]1CCC[C@@H](S(=O)(=O)Nc2ccc(O)c(Cl)c2)C1 407338714 VHZIWUOVMUWCAQ-MWLCHTKSSA-N 303.811 3.366 10 10 DGCE C[C@H](N)c1ccc(N2CCC[C@@H](F)C2)cc1Br 689389661 XHQYYRKRVLJAFK-VHSXEESVSA-N 301.203 3.407 10 10 DGCE CC(C)(C)OC(=O)N1CC2(CCOCC2)CC[C@@H]1CN=[N+]=[N-] 718567764 RYWQGEKIBYURRQ-GFCCVEGCSA-N 310.398 3.493 10 10 DGCE O=[N+]([O-])c1ccc(O)c(CNCc2ccc3cccnc3c2)c1 727471134 YNYBYACFBULIPL-UHFFFAOYSA-N 309.325 3.138 10 10 DGCE CN(CC1CC1)C[C@H]1CCN(Cc2cc3c(cc2O)CCC3)C1 746381333 HPEUWCXYWBMMGF-MRXNPFEDSA-N 314.473 3.045 10 10 DGCE CCc1cc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)no1 775636898 XVSRXMCGEPLYGZ-NSHDSACASA-N 302.378 3.186 10 10 DGCE CCN(CC)c1ccc(CN2CCO[C@H](C3CC3)C2)cc1F 777223546 ZEZVAZVDEJAHRZ-SFHVURJKSA-N 306.425 3.283 10 10 DGCE COc1ccc(O)c(CN[C@@H]2CCC[C@H]([C@H]3CCOC3)C2)c1 798493822 TXWPSLWCGZUWSP-OFQRWUPVSA-N 305.418 3.086 10 10 DGCE CC[C@@H](N[C@@H](CCOC)COC)c1cccc(Cl)c1O 810258003 XUZVCHHPLSZKOC-SMDDNHRTSA-N 301.814 3.138 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@]2(C)CCO[C@@H]2C2CC2)cc1 835047305 FWWDAOOWLSDBNR-NYQZOWANSA-N 300.446 3.313 10 10 DGCE COc1cc(N(C)C[C@H](CC(C)C)OC)cc(OC)c1OC 842149794 FUEGSYXCHDMJJV-AWEZNQCLSA-N 311.422 3.210 10 10 DGCE COC[C@H](CCN[C@H](C)c1cc(Cl)cc(C)c1O)OC 850487204 YEUPBCKESMVKQG-YPMHNXCESA-N 301.814 3.056 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@H](C)c3cnc(C)s3)C2)cc1 850487630 IQGMITYWVDROKZ-TZMCWYRMSA-N 317.458 3.390 10 10 DGCE COc1ccc(N2CC[C@H](N[C@@H]3CC[C@@H]3C3CCC3)C2)cc1 850488134 QKIAABOQFKMGCE-KFKAGJAMSA-N 300.446 3.442 10 10 DGCE COc1ccc(N2CC[C@H](N[C@H]3CCCc4cccnc43)C2)cc1 850488579 NKDINWXTPUTPOY-LPHOPBHVSA-N 323.440 3.336 10 10 DGCE CC/C(C)=C(/C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855224517 FQUCBFVSWFWNOG-PLFFATQSSA-N 302.418 3.137 10 10 DGCE C[C@H](O)[C@H](NCc1cc(F)c(N(C)C)cc1F)c1ccccc1 858196412 ONZMSEZBEAPGAT-SGTLLEGYSA-N 320.383 3.243 10 10 DGCE CCOC(=O)C1=CC[C@H](NCc2cc(Cl)cc(C)c2O)C1 862488689 OEQOWDBRBAFVGP-AWEZNQCLSA-N 309.793 3.096 10 10 DGCE C[C@@H]1O[C@H](C)C[C@@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 865030632 BCAZJRRYDAHIJU-VKJFTORMSA-N 316.445 3.107 10 10 DGCE Oc1c(F)cc(F)cc1CN1CC[C@H](O)C[C@@H]1c1ccccc1 895422797 OITWFUTZIWQABA-DOTOQJQBSA-N 319.351 3.368 10 10 DGCE CC(C)[C@@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 896943170 DCPTZWYXXHMYGU-SNVBAGLBSA-N 305.399 3.431 10 10 DGCE Cc1csc(C[C@@H]2CCN(C(=O)Nc3ccc(N)cc3)C2)n1 926140610 BOUABEPFNAMHHS-LBPRGKRZSA-N 316.430 3.130 10 10 DGCE Cc1nc(C(C)C)sc1C(=O)NCc1c(O)cccc1F 928710319 BBSJWUYXNQZXMV-UHFFFAOYSA-N 308.378 3.350 10 10 DGCE C[C@@H](C1CC1)n1nccc1NC(=O)N1Cc2cccc(O)c2C1 930921706 JIZHDNRUWXFSCG-NSHDSACASA-N 312.373 3.107 10 10 DGCE CO[C@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)C1CCC1 1124549101 CESGMXFPBASTJD-SFHVURJKSA-N 316.445 3.060 10 10 DGCE C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N[C@H](C)c1ccccc1O 1171723184 NNETYRORSJLSNZ-GHMZBOCLSA-N 321.323 3.315 10 10 DGCE O=C(NCc1cccc(Cl)c1O)c1scnc1Cl 1305069854 RVZQLIXPYXZXLQ-UHFFFAOYSA-N 303.170 3.086 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CCOC[C@]2(C)C2CC2)c1O 1308143691 VNZMLQWHVLCKFM-QGZVFWFLSA-N 323.820 3.249 10 10 DGCE Cc1ccc(C2=NO[C@H](CNCc3c(C)cccc3O)C2)cc1 1332723569 HCZNBSXSQPTIJE-INIZCTEOSA-N 310.397 3.292 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)NC1CC2(C1)CC2(F)F 1333615175 JJNYNLYDUKQVMJ-UHFFFAOYSA-N 316.735 3.033 10 10 DGCE c1cc(N2CCCC2)ccc1CN[C@@H]1CC[C@H]2CC[C@H]1OC2 1333790986 OHXSOOWOOHJSTH-QXAKKESOSA-N 300.446 3.334 10 10 DGCE O=C(NCc1cc(Cl)cc(Cl)c1O)C1(CF)CCC1 1349448106 WMEQHRXSWBELSE-UHFFFAOYSA-N 306.164 3.455 10 10 DGCE COc1cccc(CCC(=O)NCc2cc(Cl)ccc2O)c1 1452948765 ZKUJERZBYLEQKH-UHFFFAOYSA-N 319.788 3.303 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@@H]1CC=CCC1 1532654980 HTIUTBCNJSEXAQ-CQSZACIVSA-N 300.402 3.224 10 10 DGCE O=C(NCc1cccc(Cl)c1O)c1cccc2c1COCC2 1648609457 ZAZRRNLALBEFOD-UHFFFAOYSA-N 317.772 3.048 10 10 DGCE COc1ccc(N2CCN(C[C@H]3C[C@H]4CC[C@H]3C4)CC2)cc1F 1657763995 ZRILSNICUJQAIB-HRCADAONSA-N 318.436 3.393 10 10 DGCE CC(C)(C)OC(=O)NCc1ccc(Br)cc1O 1857789233 CQKHRIOYNIQCMT-UHFFFAOYSA-N 302.168 3.179 10 10 DGCE CCCOc1ccccc1/N=N/N1CCN(C(=O)OCC)CC1 1860485552 OEUADQYXVIEORZ-ISLYRVAYSA-N 320.393 3.248 10 10 DGCE CCN(CC)CCNC(=O)c1ccc(NN=NC(C)(C)C)cc1 1860488964 RWRZXXDHTPXFMC-UHFFFAOYSA-N 319.453 3.336 10 10 DGCE C[C@@H](O)c1ccc(N(Cc2ccccc2)[C@H](C)CCO)cc1O 1915084580 RIDCAMUPXIBLBE-HUUCEWRRSA-N 315.413 3.223 10 10 DGCE CC[C@](C)(O)CN(Cc1ccccc1)c1ccc(CN)c(F)c1 1915167621 WVPYPMVKCZDVBX-IBGZPJMESA-N 316.420 3.452 10 10 DGCE CC(C)NCc1ccc(N(C)CCF)c(Br)c1 1916499866 CTYAOZGYGVATPW-UHFFFAOYSA-N 303.219 3.353 10 10 DGCE CCC[C@@](C)(NC(=O)OC(C)(C)C)[C@H](N)c1ccccc1O 1928477539 WBCFNUUOENXLKC-RHSMWYFYSA-N 308.422 3.476 10 10 DGCE CC1=C(Br)CN(c2ccc(CO)cc2F)CC1 1946842422 NKZCRSAWPDHHAC-UHFFFAOYSA-N 300.171 3.197 10 10 DGCE CC1(C)COCC[C@@H]1NCc1cc(Br)ccc1O 1964599810 DUNOANXPQWCZJJ-ZDUSSCGKSA-N 314.223 3.059 10 10 DGCE C[C@@H](CC(=O)O)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 1977840126 NEWLKKAHJIBSKL-LBPRGKRZSA-N 322.405 3.011 10 10 DGCE CCC[C@@](O)(CNC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1977957562 GPUJWPWYKMCOPM-GOSISDBHSA-N 322.449 3.265 10 10 DGCE CN(c1ccc(CN)c(Br)c1F)[C@@H]1CC[C@H]2C[C@H]21 2046861132 FAUDHFRUJUOWSU-JMJZKYOTSA-N 313.214 3.282 10 10 DGCE CN(c1cc(Cl)c(CN)cc1F)[C@@H]1CCCCC[C@H]1O 2177389814 VNOQPOMYCLTGQP-UKRRQHHQSA-N 300.805 3.068 10 10 DGCE CN(CC1(C)CCOCC1)c1cc(Cl)c(CN)cc1F 2177393477 RVRCKQUZAFQPFT-UHFFFAOYSA-N 300.805 3.191 10 10 DGCE COc1cccc(O)c1CNCc1csc(C(F)F)n1 2188752098 FQWSPIKSEUQHMB-UHFFFAOYSA-N 300.330 3.085 10 10 DGCE CSc1ncc(CNCc2ccc(NC(C)=O)cc2)s1 2208430402 CDWIYYZATXPFRC-UHFFFAOYSA-N 307.444 3.113 10 10 DGCE Cc1cc(O)cc(C)c1NS(=O)(=O)c1ccc(Cl)o1 2231216880 SHQNDINQBHSTJH-UHFFFAOYSA-N 301.751 3.056 10 10 DGCE CCc1ccc(C=C2SC(=S)N(CCOC)C2=O)cc1 2323767006 DWUGAWNLTMGQLR-UHFFFAOYSA-N 307.440 3.097 10 10 DGCE CN1N=C(C(F)(F)F)C(=Cc2c(F)cccc2Cl)C1=O 2332104171 PJJOXBNLJZCMFR-UHFFFAOYSA-N 306.646 3.253 10 10 DGCE C[C@@H](NCc1cc(OC(F)(F)F)ccc1O)C(F)(F)F 2361157091 RVGDXUKIXVJQEZ-ZCFIWIBFSA-N 303.202 3.331 10 10 DGCE CCN[C@H](C)c1ccc(N(CCOC)CCOC)c(Cl)c1 61696376 PWTBOMBCKBPYMF-CYBMUJFWSA-N 314.857 3.110 10 10 DGCE CC(C)N[C@@]1(CO)CCC[C@H]1CCSc1nccs1 93623214 SUAPVQAWJQBORB-GXTWGEPZSA-N 300.493 3.155 10 10 DGCE C[C@@H]1[C@@H](c2ccc(O)c(O)c2)c2cc(O)c(O)cc2C[C@H]1C 104648782 MUBLYIKZGKHTMF-JJQCHNSYSA-N 300.354 3.469 10 10 DGCE biogenic COc1ccc(O)c(CN[C@H](C)c2ccc(OC)c(F)c2)c1 122170870 UGAUFRRAWKMXGJ-LLVKDONJSA-N 305.349 3.399 10 10 DGCE Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCCOC(C)(C)C 127569134 VOZYOSWAEAAIHB-UHFFFAOYSA-N 316.357 3.222 10 10 DGCE C[C@@H](O)[C@H]1CCN(c2ccc(CNC(C)(C)C)cc2Cl)C1 167888032 DRIVNLWITWXQBQ-OCCSQVGLSA-N 310.869 3.435 10 10 DGCE Cc1ccc(C(=O)Nc2ccc3sncc3c2)c(O)c1O 190496495 GCHYHRKKTGRVKC-UHFFFAOYSA-N 300.339 3.268 10 10 DGCE COc1cc(OC)cc(N(C)Cc2ccc(OC)cc2O)c1 191681493 NEHFNIQAROLOOW-UHFFFAOYSA-N 303.358 3.054 10 10 DGCE CN(C)c1ccc(-c2nc(Br)c(CO)s2)cc1 217273150 RCKBTBNSYMANLK-UHFFFAOYSA-N 313.220 3.131 10 10 DGCE C[C@@H]1C[C@H](C(=O)O)CCN1Cc1cc(Cl)cc(Cl)c1O 235358824 MDYZZVNWTBGBTG-RKDXNWHRSA-N 318.200 3.384 10 10 DGCE Cc1ccc2c(O)c3c(c(O)c2c1O)C(=O)c1ccccc1C3=O 256417088 GJCRZFAYXDTZKI-UHFFFAOYSA-N 320.300 3.040 10 10 DGCE COCCN(Cc1cccnc1)Cc1cc(Cl)cc(C)c1O 289470449 PKUFAQQBSBMHEN-UHFFFAOYSA-N 320.820 3.398 10 10 DGCE c1ccc2c(c1)C[C@@H](CNCc1ccc(N3CCCC3)cc1)O2 378929402 WPEQYJSTDVDOMR-IBGZPJMESA-N 308.425 3.380 10 10 DGCE CC[C@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2O)[C@@H](C)CO1 403825901 MMHOTISPYQMPAT-HZMBPMFUSA-N 311.809 3.248 10 10 DGCE Cc1c(CNC(=O)/C=C\c2ccc(O)c(O)c2)oc2ccccc12 588404504 HIMLFOGNIMIWPB-CLFYSBASSA-N 323.348 3.482 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@H]1CO[C@@H](C2CC2)C1 691476184 IKTZASICDGLRLA-DGCLKSJQSA-N 302.201 3.356 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)Cc1ccc(Br)cc1 692825509 CHUODGZCHZXICL-LBPRGKRZSA-N 323.194 3.293 10 10 DGCE Cc1cc(CNCc2c(O)cccc2Br)ccn1 706854147 PNHQAABBRRYAAK-UHFFFAOYSA-N 307.191 3.148 10 10 DGCE CC[C@H]1COC[C@H]1N(C)Cc1cccc(Br)c1O 710917657 HILGYFXNTSOOGP-GXFFZTMASA-N 314.223 3.012 10 10 DGCE Nc1ccc2c(ccn2Cc2ncc(Br)s2)c1 713632401 QGVVQWBZFYYWKF-UHFFFAOYSA-N 308.204 3.491 10 10 DGCE C[C@@H](NC(=O)c1nc(Cl)cs1)c1ccc(N(C)C)cc1 788767792 AQXZVQVTXBGMDA-SECBINFHSA-N 309.822 3.354 10 10 DGCE Oc1ccc(Cl)c(F)c1CN1CCOC[C@@H]1CC(F)F 809712525 PPPLDMYIPMWBMF-QMMMGPOBSA-N 309.715 3.041 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H](O)C2(C)C)cc1 812697078 FMZQNORXHQETTI-KRWDZBQOSA-N 312.413 3.080 10 10 DGCE COC[C@H]1CCCN(Cc2c(O)ccc(Cl)c2F)CC1 825321685 LBSLLDRNUZIRMO-NSHDSACASA-N 301.789 3.433 10 10 DGCE Cc1cc(O)c(CN(C)Cc2nnc3ccccn23)c(Cl)c1 840912639 LITBBJSXJLNFLU-UHFFFAOYSA-N 316.792 3.029 10 10 DGCE CCCN(CCC)c1ccc(CN[C@H]2C=C[C@H](C(=O)O)C2)cc1 841814155 QSVIFSHVWBGDCG-IRXDYDNUSA-N 316.445 3.432 10 10 DGCE Cc1cc(O)c(CNc2ccc3c(c2)CCN(C)C3=O)cc1C 849347639 SNXILRLULQLVSS-UHFFFAOYSA-N 310.397 3.249 10 10 DGCE Cc1cc(O)c(CNCc2cnc(C(F)(F)F)nc2)cc1C 850345428 ZZUWUWUIVOTZMR-UHFFFAOYSA-N 311.307 3.108 10 10 DGCE COc1ccc([C@@H]2C[C@H]2CC(=O)NCCc2ccc(N)cc2)cc1 851632403 PNUMILXNHGYYFN-LPHOPBHVSA-N 324.424 3.130 10 10 DGCE Cc1cccc(CCCNC(=O)N[C@@H](C)c2ccccc2O)n1 868598251 DKTLZBQBBIMJQI-AWEZNQCLSA-N 313.401 3.089 10 10 DGCE O=C(c1ccc([C@H]2CCCOC2)cc1)N1Cc2cccc(O)c2C1 871205246 XFXXBOCULDIUCU-KRWDZBQOSA-N 323.392 3.442 10 10 DGCE CCOc1ccc([C@@H]2NC(=O)c3ccc(Cl)cc3N2)c(O)c1 914796277 UVTAVATXYMBTKZ-HNNXBMFYSA-N 318.760 3.298 10 10 DGCE CN(C)c1ccc(/C=C\CNC2([C@@H]3CCCCO3)CC2)cc1 923028394 PUYCTRVRDNYFGR-XFHJGTJQSA-N 300.446 3.457 10 10 DGCE COc1cccc(SCC(=O)N[C@H](C)c2ccccc2O)c1 1302530224 GNZTZAPUXDSSRE-GFCCVEGCSA-N 317.410 3.370 10 10 DGCE C[C@H](N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)c1cc([N+](=O)[O-])ccc1O 1327604973 DNZKWLQKSOGEOI-GAQJKIJGSA-N 312.316 3.385 10 10 DGCE CCc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1OC 1449716769 WCPUASGEJPTXCR-UITAMQMPSA-N 313.353 3.321 10 10 DGCE CC[C@H]1CCC[C@H]1C(=O)N(C)CCN(C)c1ccc(OC)cc1 1531375042 PSBNBUSIHPNKLI-MAUKXSAKSA-N 318.461 3.416 10 10 DGCE Cc1ncoc1C(=O)NCc1cc(C)n(-c2ccccc2)c1C 1534768133 UEDHGNHHSMZTQZ-UHFFFAOYSA-N 309.369 3.321 10 10 DGCE CCC/C=C\[C@H](O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C 1544884438 FTMMRKLCKLTSRE-GIFJBRJJSA-N 318.461 3.207 10 10 DGCE O=C(NCc1ccc(O)cc1O)c1ccccc1C(F)(F)F 1570462253 LLLXBOAIBKNSMK-UHFFFAOYSA-N 311.259 3.047 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(Cl)cc1N 1585787876 PBJQDEFXMAYDSQ-UHFFFAOYSA-N 317.820 3.227 10 10 DGCE C[C@]1(CNC(=O)c2cccc(O)c2O)CCCc2ccccc21 1598439035 BCOHGIYOFGDRMF-LJQANCHMSA-N 311.381 3.122 10 10 DGCE CCn1c(C(=O)NCc2cc(O)ccc2O)cc2ccccc21 1637122751 OOFMHUJOIPPQKQ-UHFFFAOYSA-N 310.353 3.002 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)[C@H]1CC1(Cl)Cl 1639384779 VCGFHYOJNJGECJ-GFCCVEGCSA-N 310.180 3.355 10 10 DGCE O=C(NCc1ccc(Cl)cc1F)N1Cc2cccc(O)c2C1 1671980408 OCAKDYCFCDZSMM-UHFFFAOYSA-N 320.751 3.410 10 10 DGCE C[C@H](NC(=O)N1Cc2cccc(O)c2C1)c1cc2cnccc2o1 1675508349 IKHKCGGEXFQOJI-NSHDSACASA-N 323.352 3.320 10 10 DGCE CCc1nnc(N(C)Cc2ccccc2O)n1[C@@H]1C[C@H]1C(C)C 1762870913 ILSMGQIHUQFLOY-LSDHHAIUSA-N 314.433 3.400 10 10 DGCE CCN(c1nnc(C)n1Cc1ccc(N(C)C)c(F)c1)C(C)C 1766425780 DEUSZJMZZGTFPL-UHFFFAOYSA-N 319.428 3.075 10 10 DGCE CC1=NN(C)C(=O)/C1=C/c1cccc(OCc2ccccc2)c1 1865679297 FVSMNMRRAGUYMQ-LDADJPATSA-N 306.365 3.497 10 10 DGCE CO[C@@H]1CCN([C@@H](C)c2cc(Br)ccc2O)[C@@H]1C 1914346530 SSWANUWWOVJEMU-IMSIIYSGSA-N 314.223 3.325 10 10 DGCE CCCN(c1ccc([C@H](C)O)cc1Br)C1COC1 1915723703 JNPICFDBWDUCJO-JTQLQIEISA-N 314.223 3.118 10 10 DGCE Nc1ccc(CC(=O)Nc2cscc2Br)cc1 1926856775 CYSNJZROIORIHC-UHFFFAOYSA-N 311.204 3.274 10 10 DGCE CC(C)(C)OC(=O)NCCCCC[C@@H](N)c1ccccc1O 1928464565 GULZFOGIMYPSHA-CQSZACIVSA-N 308.422 3.477 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1C=CC[C@H]([C@@H](N)c2ccccc2O)C1 1936976802 UPQQMCVEDHDJOL-HEHGZKQESA-N 318.417 3.252 10 10 DGCE CN[C@@H](c1ccccc1O)[C@H](C)N(C(=O)OC(C)(C)C)C1CC1 1936981516 APIRAYYYJJUXPM-BLLLJJGKSA-N 320.433 3.441 10 10 DGCE [N-]=[N+]=NCCNC(=O)c1c(Cl)cccc1Br 1963808686 CYXXHYUCUOYGDY-UHFFFAOYSA-N 303.547 3.143 10 10 DGCE COc1ccc(Br)c(CN[C@@H](C)C(C)C)c1O 1964020262 VUEOCZQGKKOXKC-VIFPVBQESA-N 302.212 3.297 10 10 DGCE COc1ccc(Br)c(CNCCCCF)c1O 1964050382 ZKHMORXIDHDVCY-UHFFFAOYSA-N 306.175 3.003 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CC[C@H]([C@@H]2CCCN2)C1 1967977655 ABHWVEKFKJDOPJ-HZMBPMFUSA-N 315.244 3.273 10 10 DGCE COc1cc2c(cc1OC)N(Cc1cnc(Cl)s1)CC2 1970281026 LSDZZRTXDZLWGT-UHFFFAOYSA-N 310.806 3.376 10 10 DGCE CNC[C@@H](C)CN(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 1978854108 TUOXZCLEMHKXST-CQSZACIVSA-N 321.465 3.003 10 10 DGCE [N-]=[N+]=NCC1(CNC(=O)c2ccc(Br)s2)CC1 2006021368 SUGSATUIRACPJV-UHFFFAOYSA-N 315.196 3.331 10 10 DGCE CC1=C(Br)CCN(c2ccc([C@H](C)O)c(O)c2)C1 2077212080 ISKSVYQXNCNJHZ-JTQLQIEISA-N 312.207 3.325 10 10 DGCE OCc1cnn(Cc2cc(C(F)(F)F)ccc2O)c1C(F)F 2079040774 OFITXXPTCQCBDI-UHFFFAOYSA-N 322.233 3.086 10 10 DGCE C[C@@H](NCc1nn(C)c(Cl)c1Cl)c1ccccc1O 2094366138 MZVSONAGGSOHTB-MRVPVSSYSA-N 300.189 3.283 10 10 DGCE CC1(CCC(=O)O)CN(Cc2cc(Cl)cc(Cl)c2O)C1 2179832645 NHTDYBSUQJYGRW-UHFFFAOYSA-N 318.200 3.386 10 10 DGCE CC[C@H](C)NCc1cnc(S[C@H]2CCC[C@H](O)C2)s1 2231443290 GKWWAHUJBBENAJ-SRVKXCTJSA-N 300.493 3.427 10 10 DGCE COc1ncc(Cl)cc1CNCc1cnc(SC)s1 2269092202 FFAWRNYIKDKTLT-UHFFFAOYSA-N 315.851 3.212 10 10 DGCE C[C@H]1CN(C(=O)C=Cc2cncc(F)c2)c2cccc(F)c2O1 2309904639 YOWCZKLZISCYBC-NSHDSACASA-N 316.307 3.187 10 10 DGCE Cc1ccc(CN(C)C[C@H]2CCCO2)c(O)c1Br 2327566268 BAYKSTQVIDRVIT-GFCCVEGCSA-N 314.223 3.074 10 10 DGCE Oc1ccsc1-c1nc([C@H]2COc3ccccc3O2)no1 115776626 IWAMAAVOIFQESV-LLVKDONJSA-N 302.311 3.016 10 10 DGCE CCN(CC)c1ccc([C@H]2NC(=O)CN2Cc2ccccc2)cc1 112370428 BZEDIFFKYYPGDM-FQEVSTJZSA-N 323.440 3.163 10 10 DGCE CCN(CC)c1ccc(CNC(=O)c2cccc(O)c2C)cc1 179547474 ROIWNRUWFUSEGT-UHFFFAOYSA-N 312.413 3.477 10 10 DGCE CCc1cc(C(=O)NCc2cc(OC)ccc2O)oc1CC 125926445 ZUFCZDCKODIMBF-UHFFFAOYSA-N 303.358 3.049 10 10 DGCE CN(Cc1ccccc1O)C(=O)NC1C2CC3CC(C2)CC1C3 127294928 ZPAUGVYWYFHGJD-UHFFFAOYSA-N 314.429 3.358 10 10 DGCE Cc1cc(C)c(O)c(CN2CCCN(c3ccccn3)CC2)c1 185683814 FKTBUZFSAWXFOA-UHFFFAOYSA-N 311.429 3.116 10 10 DGCE CC(=C/c1ccccc1)/C=C1/SC(=S)N(CCCO)C1=O 210385939 JCBSDSOBXTUOPL-NNIWUBQSSA-N 319.451 3.217 10 10 DGCE CCN[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C[C@@H]1C 49707426 BEMQHNCIYJICRL-FZMZJTMJSA-N 302.340 3.410 10 10 DGCE C[C@@H](NC(=O)COc1ccc(N)cc1)c1ccc(Cl)cc1 40310816 DWMHAONBIXDURI-LLVKDONJSA-N 304.777 3.178 10 10 DGCE COc1cc(OC)c2c(=O)c3ccc(C)cc3oc2c1N(C)C 196604650 DVKODHBJSXBCMO-UHFFFAOYSA-N 313.353 3.338 10 10 DGCE CCCN[C@@H](c1ccc(N(C)C)cc1)c1c(Cl)cnn1C 97448330 PESZUFGWMYZOOP-HNNXBMFYSA-N 306.841 3.229 10 10 DGCE CC[C@H](NCCCN1CCCC1=O)c1cccc(Cl)c1O 286969325 NQPCVOHVNOQOEO-AWEZNQCLSA-N 310.825 3.099 10 10 DGCE CC[C@H](NCc1cnn(C)n1)c1ccc(Cl)c(Cl)c1O 806168661 WGZZNSZRCCSULR-NSHDSACASA-N 315.204 3.068 10 10 DGCE Oc1cccc(Cl)c1CN1CCC2(C1)Oc1ccccc1O2 809790055 VJMBGEHYXOYZRD-UHFFFAOYSA-N 317.772 3.419 10 10 DGCE CN(C)c1ccc(CN2CCC3(CCC(O)CC3)CC2)cc1 295030356 DCLMOUGBRAYIKN-UHFFFAOYSA-N 302.462 3.270 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C)c1cccs1 808096216 DTZYDMZAIHTLCB-LLVKDONJSA-N 310.415 3.359 10 10 DGCE CO[C@]1(CN[C@@H](C)c2cc(Cl)ccc2O)CCSC1 903314186 IJSSBCIRRKEVEN-HZMBPMFUSA-N 301.839 3.218 10 10 DGCE CN(C)c1ccc(CN[C@@H]2C[C@H](C(=O)O)c3ccccc32)cc1 905008729 HVNIUYPTOYJGKY-ZWKOTPCHSA-N 310.397 3.155 10 10 DGCE CN(C)c1ccc(/C=C/CNCc2ccc(N(C)C)nc2)cc1 835036072 MWEVMOOPFXKYID-AATRIKPKSA-N 310.445 3.017 10 10 DGCE CC(C)OC(=O)[C@@H](C)N(C)C/C=C/c1ccc(N(C)C)cc1 835028167 JMMVZBIKRGXCFF-MVGZEHJDSA-N 304.434 3.038 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@H]2Cc3cccc(O)c3C2)cc1 835048963 NTOXUEZEQHRXTD-CHYADLBTSA-N 308.425 3.228 10 10 DGCE Oc1ccc(Br)cc1CN1CC[C@@]2(C1)CC2(F)F 846118766 YVRAZANMWUPEJS-LBPRGKRZSA-N 318.161 3.386 10 10 DGCE CC(C)(C)c1nnc(CNCc2ccc3c(c2)CCCO3)s1 921840176 YGJPHZOLNGRYGW-UHFFFAOYSA-N 317.458 3.450 10 10 DGCE Cc1cc(N(C)C)ccc1CN1CCC[C@H](c2ccncn2)C1 840911771 QDZFYUPTZBTAKI-KRWDZBQOSA-N 310.445 3.231 10 10 DGCE CN(C)c1ccc(/C=C\CNCC2(O)CCC(F)(F)CC2)cc1 850405518 RPNCTPCPNSTCPE-ARJAWSKDSA-N 324.415 3.296 10 10 DGCE COc1ccc(N2CC[C@H](CN[C@@H]3CCCSCC3)C2)cc1 850473987 HAVHUXLAJMRTBV-HZPDHXFCSA-N 320.502 3.397 10 10 DGCE C[C@H](NC(=O)Nc1ccnc(F)c1F)c1ccc(N(C)C)cc1 856909105 YQGWJKQRGURKGH-JTQLQIEISA-N 320.343 3.309 10 10 DGCE C[C@H]1CC2(CCC2)CN1C(=O)NCc1ccc(N(C)C)c(F)c1 764333853 AIRCKNCQLZZULK-ZDUSSCGKSA-N 319.424 3.366 10 10 DGCE COc1cc2c(cc1F)CN(Cc1c(O)cccc1OC)CC2 777440932 UGKVIWATXCEEHA-UHFFFAOYSA-N 317.360 3.107 10 10 DGCE C[C@]12CCN(Cc3c(O)ccc4ccncc34)C[C@H]1C2(F)F 793535499 XDUOLLOKUIPUQS-CVEARBPZSA-N 304.340 3.418 10 10 DGCE O=S(=O)(Nc1nc(-c2ccccn2)cs1)c1ccsc1 795544855 FWPSPNYABWMWES-UHFFFAOYSA-N 323.424 3.067 10 10 DGCE CN(C)c1ccc([C@H](O)[C@@H]2CC[C@H]2NC(=O)OC(C)(C)C)cc1 1898013794 XWCJXJFCZFLDFY-OAGGEKHMSA-N 320.433 3.089 10 10 DGCE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1Nc1ccc(N)cc1 1959371838 POLAHUKSQFPHJS-SWLSCSKDSA-N 305.422 3.326 10 10 DGCE O=C(NCc1c(O)cccc1F)c1cccn1Cc1ccccc1 1303878701 RDAXWARTDRMDTK-UHFFFAOYSA-N 324.355 3.311 10 10 DGCE CN(C[C@@H]1CCCN1CCCCN=[N+]=[N-])C(=O)OC(C)(C)C 1962300820 SQGDHBFEVLZZOZ-ZDUSSCGKSA-N 311.430 3.408 10 10 DGCE O=C(CCCc1c[nH]c2ccccc12)NCc1c(O)cccc1O 1178905092 HDNNTZKNWFUXHD-UHFFFAOYSA-N 324.380 3.218 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)NC/C=C\c2ccccc2)cc1 1295767580 LWQBHDZRJNCEDP-MOADIGBWSA-N 308.341 3.292 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)c2cnccc2Br)CC1 2121184003 OVYPUSSXOICGFF-VIFPVBQESA-N 324.182 3.149 10 10 DGCE Cc1ccc2nc(C(=O)N3Cc4cccc(O)c4C3)ccc2c1 1558035747 ODQDXFKDRGOXBJ-UHFFFAOYSA-N 304.349 3.405 10 10 DGCE CC[C@@H]1CCCC[C@H]1OCC(=O)NCc1c(O)cccc1F 1635361153 YDANCAUJDKDJGP-MLGOLLRUSA-N 309.381 3.133 10 10 DGCE CC/C=C(\C)C(=O)N1CC[C@H](NCc2ccc(OC)c(C)c2)C1 1567092019 SVKJITGLNOTZCJ-ZZZKQGFOSA-N 316.445 3.050 10 10 DGCE CC(C)(C)Nc1ccccc1NC(=O)Cc1ccc(O)c(O)c1 1568186215 NCGFEODCADRULM-UHFFFAOYSA-N 314.385 3.489 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2ccc(-n3cc(C)cn3)cc2)c1 1641729731 YAFWHILBOHUTQX-UHFFFAOYSA-N 321.380 3.125 10 10 DGCE Cc1nc(-c2ccncc2)nc(N2Cc3cccc(O)c3C2)c1C 1652152947 NOWSICXSXNREFC-UHFFFAOYSA-N 318.380 3.381 10 10 DGCE CC[C@@H]1CCCC[C@@H]1CNC(=O)NCc1cccc(OC)c1O 1681591790 KNURERYNUPDXRR-ZIAGYGMSSA-N 320.433 3.416 10 10 DGCE CC(C)COc1ccc(NN=NCCCN2CCOCC2)cc1 1860495335 VVRZOERPPSTLPB-UHFFFAOYSA-N 320.437 3.223 10 10 DGCE COCCCNCc1ccc(N2CCC[C@H](C)C2)c(OC)c1 212651890 JFXKUGBTBKDFFQ-HNNXBMFYSA-N 306.450 3.058 10 10 DGCE Cc1cc(Br)cc(CN(C)[C@@H]2CCO[C@H]2C)c1O 228057413 UZLBTBJGLDZCSS-GXFFZTMASA-N 314.223 3.072 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]([C@H](N)c1ccccc1O)C(C)(C)C 1928475768 BGFLCXVBLAERCQ-KGLIPLIRSA-N 308.422 3.331 10 10 DGCE CN[C@H](C)c1ccc(N(C)Cc2ccno2)c(Br)c1 2137782446 UTNBOXDURVILIZ-SNVBAGLBSA-N 324.222 3.354 10 10 DGCE Nc1ccc(NC(=O)N[C@H]2CC[C@H]2OCc2ccccc2)cc1 1939573412 DWNIECFYNGPULG-DLBZAZTESA-N 311.385 3.138 10 10 DGCE CN(C)c1ccc([C@@H]2CCNCCN2C(=O)OC(C)(C)C)cc1 1952190502 XOIDTOAYRKSXQE-INIZCTEOSA-N 319.449 3.024 10 10 DGCE C[C@@H]1CN(c2ccc3c(c2)CC[C@@H]3N)CCN1Cc1ccccc1 2012710496 WPQUUCIZYWNYCE-IERDGZPVSA-N 321.468 3.343 10 10 DGCE Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](N=[N+]=[N-])CC2)s1 2155550091 CQHZEOSZUNZCEE-NSHDSACASA-N 314.436 3.218 10 10 DGCE NCc1ccc(N2CCCC[C@H](F)C2)c(F)c1Br 2034860390 UMVMLCHHJPLXGM-JTQLQIEISA-N 319.193 3.375 10 10 DGCE CCN(C(=O)c1ccncc1Br)c1ccc(N)cc1 395907759 NQKATRZATWJBQP-UHFFFAOYSA-N 320.190 3.093 10 10 DGCE CCc1cc(C(=O)OC(C)(C)C)n(Cc2cccc(C)c2O)n1 2070016624 HUDMBJSRLRIUAZ-UHFFFAOYSA-N 316.401 3.463 10 10 DGCE CCc1nn(Cc2cccc(C(F)(F)F)c2O)c(N)c1CC 2079637065 RJVZATFOXNFPKG-UHFFFAOYSA-N 313.323 3.363 10 10 DGCE COCCN(c1ccc([C@H](C)O)c(Cl)c1)[C@H]1CCSC1 2170156848 JTPGRGIAURVMBO-AAEUAGOBSA-N 315.866 3.352 10 10 DGCE CNCc1ccc(N2C[C@H]3CC=C[C@H]2C3)c(Br)c1 2057023035 SEYQXYNTWHVLIH-STQMWFEESA-N 307.235 3.323 10 10 DGCE Nc1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)cc1 31895978 VJAKWZLJPNRIDV-UHFFFAOYSA-N 310.275 3.305 10 10 DGCE COc1ccc(N2CCN[C@H](C)[C@@H]2C(F)(F)F)cc1Cl 2202997272 JBACUNBXKARCGO-PRHODGIISA-N 308.731 3.078 10 10 DGCE O=C(C=Cc1ccc(Cl)s1)NCc1ccc(O)c(O)c1 2307787341 VWIBXIBDHKIYOT-UHFFFAOYSA-N 309.774 3.142 10 10 DGCE Cc1ccc(CNCc2cnsc2)c(O)c1Br 2307479570 JXNCKOWPKJWMRR-UHFFFAOYSA-N 313.220 3.209 10 10 DGCE Oc1cc(Br)ccc1CN[C@H]1CC[C@@H]2[C@H]1C2(F)F 2308662252 IMLDLTLBZIZPDG-JFGNBEQYSA-N 318.161 3.288 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@@H]3C[C@H]2[C@@H]2C[C@@H]32)c(Br)c1 2308716382 QBRVUQDYADKYDW-DPXQDECBSA-N 308.219 3.347 10 10 DGCE Oc1c(Br)cccc1CN[C@@H]1C[C@@H]2C[C@H]1[C@H]1C[C@H]21 2309575808 STXFJXPGWGOLOX-XJBAAKRRSA-N 308.219 3.289 10 10 DGCE C[C@@H](Nc1c(N)cccc1Br)[C@@H]1C[C@@H]2CCO[C@H]12 2311936682 RIXBRUGXUBWMBN-YCWTYVPXSA-N 311.223 3.257 10 10 DGCE Cc1ccc(CNC(=O)[C@H](C)C(C)C)c(O)c1Br 2327585729 IIPHZMHBFVMJAV-SNVBAGLBSA-N 314.223 3.371 10 10 DGCE Cc1c(Cl)ccc2c1CN(c1ccc3c(c1)OCO3)[C@@H]2CN 71683577 IOVJCDYQQWBJFG-OAHLLOKOSA-N 316.788 3.397 10 10 DGCE CC[C@H](N)CN1C[C@@](C)(C(C)C)Nc2cc(OC)c(OC)cc21 75280768 XMWOEMOMMUUVJV-UGSOOPFHSA-N 321.465 3.088 10 10 DGCE CCOC(=O)[C@@H](CN=[N+]=[N-])Nc1ccc(Br)cc1 91314472 WAULQQJPDHIKET-SNVBAGLBSA-N 313.155 3.103 10 10 DGCE CCOc1cccc(CN2CCCC[C@@H]2c2cn[nH]c2)c1O 93438149 MFNPHWNGVCIOFN-OAHLLOKOSA-N 301.390 3.241 10 10 DGCE COc1ccc(CN(C)CCOc2ccc(F)cc2)c(O)c1 121481926 LOHORKXGWOHPGI-UHFFFAOYSA-N 305.349 3.051 10 10 DGCE Cc1cc(C(=O)NO[C@@H]2CCCCO2)c(C)n1-c1ccccc1 128247273 FTVBKDHLBMSBFN-QGZVFWFLSA-N 314.385 3.282 10 10 DGCE Cc1cc(C(=O)OC[C@]2(C)CCCO2)c(C)n1-c1ccccn1 177260930 DFBJYCTVIVZOJM-SFHVURJKSA-N 314.385 3.215 10 10 DGCE O=C1N(CC2CC2)[C@H](c2cc(Cl)ccc2O)NC12CCCC2 178541279 YSWZIIHWBWMXAC-OAHLLOKOSA-N 320.820 3.199 10 10 DGCE C[C@H](NCc1ccc(Cn2ccnc2)cc1)c1ccccc1O 183411651 UWCXPWQGFYYTAR-HNNXBMFYSA-N 307.397 3.488 10 10 DGCE COc1ccc(N(Cc2ncccn2)Cc2ccco2)cc1F 192109267 MDOBOFUFTGQJSU-UHFFFAOYSA-N 313.332 3.424 10 10 DGCE Cc1nnc([C@H](C)NCc2cc(Cl)c(F)cc2O)s1 293624613 MUQFFPQCHLSVEB-LURJTMIESA-N 301.774 3.195 10 10 DGCE CO[C@H]1CCCN([C@H](C)c2cc(Br)ccc2O)C1 299899995 JQXWNLNVOXLYSH-PWSUYJOCSA-N 314.223 3.327 10 10 DGCE CC(C)N(CC(=O)N(C)c1ccc(N)cc1)Cc1ccccc1 302864551 FCXAHUZVBMUPNR-UHFFFAOYSA-N 311.429 3.142 10 10 DGCE COc1ccc(Cc2noc(/C=C\c3ccc(O)c(O)c3)n2)cc1 588458088 IVCXXISSVBKPBF-UITAMQMPSA-N 324.336 3.251 10 10 DGCE C[C@@H]1[C@@H](NCc2cc(F)ccc2O)CCN1C(=O)OC(C)(C)C 700753165 SQMWXUHNGBGJPC-RISCZKNCSA-N 324.396 3.019 10 10 DGCE COc1cc(C)cc(CN(C)CCOc2ccccc2F)c1O 748050734 ATERNVKUFZBXAA-UHFFFAOYSA-N 319.376 3.359 10 10 DGCE C[C@@H]1CCN(Cc2ccccc2)CCN1Cc1ccccc1O 779007965 OQXWENHOKQRKCJ-QGZVFWFLSA-N 310.441 3.489 10 10 DGCE C[C@@H](C(=O)NCc1cc(Br)ccc1O)C(C)(C)C 804734044 AMXWCBSFATUSPV-VIFPVBQESA-N 314.223 3.453 10 10 DGCE Cc1sc(/C=C\c2ccc3c(c2)CCN3C)nc1C(=O)O 806572228 BXBHOORNHCGHTB-XQRVVYSFSA-N 300.383 3.312 10 10 DGCE Cc1cc(C)c([C@H](C)NCc2c3c(nn2C)CCCC3)c(O)c1 815627917 NGSYGPGKEQTVDA-AWEZNQCLSA-N 313.445 3.472 10 10 DGCE C[C@H](NC(=O)N(C)Cc1ccccc1O)C1CCC(F)CC1 823068194 QLNSEHPXSHMFDV-OPFPJEHXSA-N 308.397 3.450 10 10 DGCE Cc1cc(O)c(CN[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)cc1C 824643912 LZYMVCFFVSJKSN-KBPBESRZSA-N 322.449 3.400 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCOC[C@H]2c2ccco2)cc1 835030251 WHSABLZGDCIGSK-YZTRRJNXSA-N 312.413 3.432 10 10 DGCE CC[C@H](N[C@@H]1Cc2ccccc2N(C)C1=O)c1ccc(C)cc1O 850500234 DTGHJCARVDGUCN-DLBZAZTESA-N 324.424 3.329 10 10 DGCE OC1CCN(c2ccc(CN[C@@H]3CCCC34CCC4)cc2)CC1 850568353 WCEHBBRSYGIXAU-LJQANCHMSA-N 314.473 3.460 10 10 DGCE CC[C@H](C)[C@H](C)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 852007329 ADJNSGRLCKZIFG-KKUMJFAQSA-N 319.449 3.008 10 10 DGCE COc1ccc2ccc(O)c(CN3C[C@H]4COC[C@@]4(C)C3)c2c1 853567104 SYBGUUKHKPWYGG-IFXJQAMLSA-N 313.397 3.022 10 10 DGCE COc1ccc(N2CC[C@@H](Nc3cnc4ccccc4n3)C2)cc1 853758602 IDVSFWCUJXXSAJ-CQSZACIVSA-N 320.396 3.329 10 10 DGCE O=C(O)C1(CNCc2cc(-c3ccccc3)ccc2O)CCC1 854244773 RYSFCMCHYAQVJW-UHFFFAOYSA-N 311.381 3.404 10 10 DGCE CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)N[C@@H](C)c1ccccc1O 868343115 MGXSZSTYAIBCRV-VBQJREDUSA-N 320.433 3.204 10 10 DGCE C[C@@H](NC(=O)N[C@@H]1C[C@@]1(F)c1ccccc1)c1ccccc1O 868725809 PHNSGVLNJHYQML-XHBKTUGNSA-N 314.360 3.390 10 10 DGCE Cc1ccc(O)c(CNCC[C@H]2CCC3(CCOCC3)CO2)c1 886300764 PBNWPYYQZUBTLG-QGZVFWFLSA-N 319.445 3.156 10 10 DGCE CN1CCCc2cc(CN[C@@H](C3CCOCC3)C3CC3)ccc21 924872578 RRPYCVJDELVMGM-HXUWFJFHSA-N 314.473 3.364 10 10 DGCE Cc1ccccc1CO[C@H](C)C(=O)NCc1c(O)cccc1F 928708176 AUZCAQXCQOJOSL-CYBMUJFWSA-N 317.360 3.061 10 10 DGCE CC[C@H](C(=O)NCc1c(O)cccc1F)c1ccc(OC)cc1 928708999 VAFHRELJXQZFEI-AWEZNQCLSA-N 317.360 3.350 10 10 DGCE COc1ccc(N(C)C[C@@H]2CC[C@H](C(F)(F)F)O2)cc1OC 929349137 ZYJOHDXZGYZNDH-SMDDNHRTSA-N 319.323 3.250 10 10 DGCE CC[C@@](C)(C(=O)OC)N(Cc1ccc(N(C)C)cc1)CC1CC1 1171371681 YQBKVHVPJRTOOB-IBGZPJMESA-N 318.461 3.306 10 10 DGCE C[C@@H](CCc1ccc(F)cc1)C(=O)NCc1cccc(O)c1O 1347235350 UXWCYABYTLHRPX-LBPRGKRZSA-N 317.360 3.122 10 10 DGCE CCN(CC)c1ccc(CNC(=O)c2cc(F)ccc2O)cc1 1441718349 XKTNQLVQUZRCBP-UHFFFAOYSA-N 316.376 3.308 10 10 DGCE CCCC[C@H](O)CCC(=O)NCc1ccc(N(C)C)cc1C 1465028507 GHAYBUFEDYZZDI-KRWDZBQOSA-N 306.450 3.009 10 10 DGCE O=C(/C=C/c1nccs1)NCc1c(O)ccc2ccccc12 1472084984 JJCVIDSAJFDOJQ-BQYQJAHWSA-N 310.378 3.332 10 10 DGCE CSc1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)nc1 1543375152 MGVWNUYSNSQQSN-UHFFFAOYSA-N 315.358 3.218 10 10 DGCE CCC/C(C)=C/C(=O)N(C)CCN(C)c1ccc(OC)cc1 1639814270 QZBSHAPDRWOWGL-CCEZHUSRSA-N 304.434 3.336 10 10 DGCE O=C(NCc1cccc(O)c1O)c1ccccc1C(F)(F)F 1643809336 KLMIHZBCCGFZOX-UHFFFAOYSA-N 311.259 3.047 10 10 DGCE C[C@@H](CNCc1ccc(Cl)cc1O)NC(=O)OC(C)(C)C 1657983140 WJEABUJPXHAHQZ-JTQLQIEISA-N 314.813 3.048 10 10 DGCE Cc1cc(CN2CCN(c3ccncc3)[C@H](C)C2)ccc1N(C)C 1659975371 LRTGTSBWCRSCEY-QGZVFWFLSA-N 324.472 3.167 10 10 DGCE CCN(c1nnc(C)n1Cc1ccc(N(C)C)cc1C)C(C)C 1695532616 ZAHAKNSJUHKQDQ-UHFFFAOYSA-N 315.465 3.244 10 10 DGCE CCOC(=O)[C@@H]1CCCN(/N=N/c2ccc(C(C)=O)cc2)C1 1860480970 NJLVRKPZDIFUDA-IAFNSTAXSA-N 303.362 3.163 10 10 DGCE CCOC(=O)N1CCN(/N=N/c2c(C)cc(C)cc2C)CC1 1860481618 KSHVHDQWBLLSIX-ISLYRVAYSA-N 304.394 3.385 10 10 DGCE CN[C@H](c1ccccc1O)c1c(C)nsc1Br 1912975077 BTZULWBAMWUTIF-LLVKDONJSA-N 313.220 3.228 10 10 DGCE OCc1ccc(N2[C@H]3CC[C@H]2CSC3)cc1Br 1914576405 RZRLCJUAICDKHY-RYUDHWBXSA-N 314.248 3.026 10 10 DGCE CN(c1ccc(CN)c(F)c1)[C@H]1CC[C@@H]1OCc1ccccc1 1939611932 OLWVYYVEOROZMH-OALUTQOASA-N 314.404 3.468 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CC12CC(Nc1ccc(N)cc1)C2 1959362858 HYMCLVADGPIPMM-UUCFBXCCSA-N 303.406 3.127 10 10 DGCE CN(c1ccc(N)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1959569451 TUDSZHLKLCWCQR-HNNXBMFYSA-N 305.422 3.105 10 10 DGCE COc1ccc(Br)c(CNC[C@H](C)SC)c1O 1964581428 MAIKTCNQJGMHIY-QMMMGPOBSA-N 320.252 3.004 10 10 DGCE Nc1ccc(CCOCCOCCOCc2ccccc2)cc1 1983394590 DEPJXJIUEGSMSZ-UHFFFAOYSA-N 315.413 3.061 10 10 DGCE CC(C)(C)OC(=O)Nc1ccc(F)c(C(=O)NCCN=[N+]=[N-])c1 1985101029 MTJYCFPFBUKLIA-UHFFFAOYSA-N 323.328 3.213 10 10 DGCE Nc1ccccc1N[C@H]1CN(Cc2ccccc2)C[C@@H]1C(F)F 1989881877 AQSPUCAIGIVSPO-YOEHRIQHSA-N 317.383 3.446 10 10 DGCE C[C@]1(F)C[C@H](CNCc2cc(Br)ccc2O)C1 2021327707 WKTBOZSEUSVFTA-GMZHKTEUSA-N 302.187 3.383 10 10 DGCE CN(c1ccc(Br)cc1)c1cc(CCN)ccn1 2037337820 KBJSNXGPDZDHEO-UHFFFAOYSA-N 306.207 3.113 10 10 DGCE C[C@H]1C[C@H](CN(C)Cc2cccc(Br)c2O)CO1 2040273013 DNJQACLHEAPAJY-WDEREUQCSA-N 314.223 3.012 10 10 DGCE CCNCc1ccc(N2CC3CC(C3)C2)c(Br)c1 2045325254 CRNKVSROGGDGJB-UHFFFAOYSA-N 309.251 3.405 10 10 DGCE CNCc1ccc(N(C)CC[C@@H](C)OC)c(Br)c1 2059361964 JCFPLSGGDKOGOH-LLVKDONJSA-N 315.255 3.030 10 10 DGCE CC(C)(C)OC(=O)c1cc(C2CC2)n(-c2ccc(O)c(O)c2)n1 2069881434 HQMLHNHFRUUFGF-UHFFFAOYSA-N 316.357 3.116 10 10 DGCE CCc1nn([C@@H](c2ccc(C)cc2O)C2(C)CC2)c(N)c1N 2079137519 NTANLXVGTRROLB-HNNXBMFYSA-N 300.406 3.013 10 10 DGCE CO[C@H]1C[C@@H](C)CN(Cc2cc(Br)ccc2O)C1 2085097004 AUJPOGNDCMFQSG-MFKMUULPSA-N 314.223 3.012 10 10 DGCE Oc1ccc(Br)cc1CNCc1ncc(C2CC2)o1 2104339789 STJOROGKIDNCAI-UHFFFAOYSA-N 323.190 3.310 10 10 DGCE COCCN(c1ccc([C@@H](C)N)cc1Cl)[C@H]1CCSC1 2170139919 MIXBIAXTGNBDSM-YPMHNXCESA-N 314.882 3.318 10 10 DGCE CO[C@@H]1C[C@H](N(C)c2cc(Cl)c(CN)cc2F)C1(C)C 2177384997 GTHLRCSMWZUZGI-UONOGXRCSA-N 300.805 3.188 10 10 DGCE [N-]=[N+]=NCC1(CNC(=O)c2cc(Cl)c(F)cc2F)CC1 2179365132 KWWJAQXYJJTWCK-UHFFFAOYSA-N 300.696 3.439 10 10 DGCE CN[C@]1(C(=O)O)C[C@H](Sc2nccs2)CC2(CCC2)C1 2183538521 MXQNFEMPEBLYLP-QMTHXVAHSA-N 312.460 3.001 10 10 DGCE Nc1nsc(NCc2ccccc2O)c1-c1nccs1 2186559611 XQLHONLWCGVBFZ-UHFFFAOYSA-N 304.400 3.167 10 10 DGCE CCNCc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3C(F)F)c(Cl)c1 2192282550 NNYRUJVIFKKWMG-YABSGUDNSA-N 300.780 3.397 10 10 DGCE CCNCc1ccc(N2C[C@@H]3[C@H](C(F)F)[C@@H]3C2)cc1Cl 2192283510 ULWQWLNDFIBPDD-DABQJJPHSA-N 300.780 3.397 10 10 DGCE Cc1cc(N2C[C@H]3C[C@H]2CN3Cc2ccccc2)ccc1[C@H](C)N 2248955572 XMSHEVOPOXOZQE-DBVUQKKJSA-N 321.468 3.478 10 10 DGCE COc1ccc(N2CC3(C2)CC3(F)F)c(Br)c1 2306901203 FEJUTGSIFDWPJF-UHFFFAOYSA-N 304.134 3.303 10 10 DGCE Oc1ccc(CNc2ccc(Br)c(O)c2)c(O)c1 2321055062 CBDBUUUCABUXRQ-UHFFFAOYSA-N 310.147 3.178 10 10 DGCE Cc1ccc(CN2C(=O)CCC[C@H]2C)c(O)c1Br 2327616103 REGGQSLNPOEHLH-SNVBAGLBSA-N 312.207 3.364 10 10 DGCE CC1=NN(Cc2ccc(F)cc2)C(=O)C1=Cc1cccc(O)c1 2332094843 OCHXEODGTMKRDM-UHFFFAOYSA-N 310.328 3.333 10 10 DGCE O=C(O)c1nc(/N=N/c2cccc3ccccc23)[nH]c1C(=O)O 59502865 TXWPBYVTBYPRJC-VHEBQXMUSA-N 310.269 3.375 10 10 DGCE CCOc1ccc(N2CC[C@H](CNC(C)C)C2)cc1OCC 76382918 XYBUMURBRVYRKU-OAHLLOKOSA-N 306.450 3.308 10 10 DGCE CCOc1ccc(O)c(CN(CC)CCc2nccs2)c1 93764676 YLBBRHCMGKVLRD-UHFFFAOYSA-N 306.431 3.312 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@@]2(CC=CCC2)C1 180782391 ARYXHEQSLOZRDW-FNQPIQQGSA-N 313.397 3.460 10 10 DGCE COc1ccc(CN2CC[C@@H](Oc3cccc(F)c3)C2)c(O)c1 183212119 DKDIGJVHTCPONS-QGZVFWFLSA-N 317.360 3.193 10 10 DGCE C[C@@H]1COCCN1CCSc1ncc(C(C)(C)C)s1 188325136 OVUNVZBPVXCIFL-LLVKDONJSA-N 300.493 3.253 10 10 DGCE COc1ccc(N2CCC(NCc3cccnc3C)CC2)cc1 237262847 GRYHERVEXZRKRU-UHFFFAOYSA-N 311.429 3.157 10 10 DGCE CC[S@](=O)[C@@H]1CCC[C@@H](N[C@@H](C)c2cc(F)ccc2O)C1 248491824 IWIUOZRMGAAOGR-KNLKSIEXSA-N 313.438 3.262 10 10 DGCE CC(C)N1CCC[C@@H](CN[C@H](C)c2ccc(F)c(F)c2O)C1 249124641 UPPBXTYMJZSPLP-OLZOCXBDSA-N 312.404 3.441 10 10 DGCE Oc1c(F)cccc1CNCc1ccc(Br)o1 378915518 MJTNUDZKBUPPCQ-UHFFFAOYSA-N 300.127 3.177 10 10 DGCE CCNCc1cc(F)c(N2CC[C@H](SCC)C2)c(F)c1 382926395 JLXQBBAYZLWFBT-LBPRGKRZSA-N 300.418 3.406 10 10 DGCE NCc1ccc(N2CC[C@@H]3CCC[C@H]32)c(F)c1Br 386105646 SFSYRFDTGGOACF-GXSJLCMTSA-N 313.214 3.426 10 10 DGCE Cc1cc(Cl)cc([C@@H](N2CCOCC2)C(F)(F)F)c1O 575293619 XMRCAXKBSQVIFM-GFCCVEGCSA-N 309.715 3.290 10 10 DGCE Oc1cccc(CNCc2ccc(Br)cc2O)c1 691469957 SNEAZCHOBUBWDJ-UHFFFAOYSA-N 308.175 3.150 10 10 DGCE CC(C)Oc1ccc(N(C)C)cc1I 694940919 JEMFXBMSSKSLKW-UHFFFAOYSA-N 305.159 3.144 10 10 DGCE COC[C@H]1CCCN1c1ccc([C@@H](C)O)cc1Br 696592847 FNCOFKGGSSDGGR-ZYHUDNBSSA-N 314.223 3.118 10 10 DGCE CC1(C)CN(Cc2ccccc2)C[C@@H]1NCc1ccccc1O 720704035 HNFZQMCXHHYEOB-IBGZPJMESA-N 310.441 3.392 10 10 DGCE C[C@H]1C[C@@H](NCc2c(O)cccc2Br)C[C@@H](C)O1 724654982 WAIJCMNHNXXHCV-URLYPYJESA-N 314.223 3.200 10 10 DGCE Cc1cn2cc(NC(=O)NCc3ccc(N(C)C)cc3)ccc2n1 727770396 WHNATZCZBUOIFZ-UHFFFAOYSA-N 323.400 3.030 10 10 DGCE C[C@@H]1CC(C)(C)C[C@@](CO)(NCc2ccc(N(C)C)cc2)C1 740008161 XIXXBRLXGAOQCM-BEFAXECRSA-N 304.478 3.420 10 10 DGCE COC(=O)/C=C\c1ccc(N2[C@H]3CCC[C@H]2CC3)c([N+](=O)[O-])c1 753116497 SQSASTCVTDWMNB-VYFJBJRGSA-N 316.357 3.302 10 10 DGCE Cc1cc(Cl)cc(CNC[C@@H](O)CCc2ccccc2)c1O 753594395 LRSAEGNLBDJFEG-KRWDZBQOSA-N 319.832 3.437 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCc2cccc(O)c21 814259143 AFDOJHCNOGXFNA-QGZVFWFLSA-N 324.424 3.147 10 10 DGCE CO[C@H](COC(=O)c1cc(C)n(-c2ccccn2)c1C)C(C)C 816355495 JVRGQOMJXQQITC-MRXNPFEDSA-N 316.401 3.317 10 10 DGCE CCOC(=O)[C@@H]1CC[C@H](NCc2cc(Cl)c(F)cc2O)C1 816598763 PDENWAMMVGSUAN-KOLCDFICSA-N 315.772 3.006 10 10 DGCE C[C@H](CC(=O)NCc1ccc(N2CCCC2)cc1)[C@H]1CCCO1 821844121 YRVFEKRCVWBRNW-CRAIPNDOSA-N 316.445 3.108 10 10 DGCE CCOC(=O)c1ccc(CN(CC)c2ccc(OC)cc2)nc1 828172609 LLVPUHZVJKMTGO-UHFFFAOYSA-N 314.385 3.293 10 10 DGCE CN(C)c1ccc(/C=C/CNC[C@@](C)(O)c2ccccc2)cc1 835038960 DOPJPTZQCVFMQQ-AQKVLALTSA-N 310.441 3.263 10 10 DGCE Cc1cccc(C[C@H](CO)NC/C=C\c2ccc(N(C)C)cc2)c1 835049373 DIZPTYWAVZOOHS-DASIIQCKSA-N 324.468 3.267 10 10 DGCE Cc1cc(O)c(CNCCCN(C)CC(F)(F)F)c(Cl)c1 840876169 NEESDMMJOMGGIA-UHFFFAOYSA-N 324.774 3.328 10 10 DGCE CN(C)c1ccc(/C=C/CNC[C@H]2NCCc3ccccc32)cc1 841067729 PHEVXLQWQUPJGF-YAQIIAKESA-N 321.468 3.242 10 10 DGCE Oc1c(CN2CC[C@@H](Nc3ncccn3)C2)ccc2ccccc12 843414534 HWBSLPOHCAXOAF-MRXNPFEDSA-N 320.396 3.022 10 10 DGCE CN(C[C@@H](O)C(F)(F)F)c1ccc(-c2nccs2)cc1 846992748 MITGSVSGIJGFPJ-LLVKDONJSA-N 302.321 3.170 10 10 DGCE COc1ccc(N2CC[C@H](Nc3ccc([N+](=O)[O-])s3)C2)cc1 853758168 AVOATTSSUWMFLG-NSHDSACASA-N 319.386 3.356 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)/C=C/C3CCCC3)C2)cc1 855226763 UBHBACCCMREKQM-HKUPYCBJSA-N 314.429 3.137 10 10 DGCE CCC(CC)CC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855233748 MHXNFCQMQOWPBY-HNNXBMFYSA-N 304.434 3.216 10 10 DGCE CCOC(=O)C1=CC[C@@H](N[C@H](C)c2c(C)cc(C)cc2O)C1 858509898 TYANLBHEJPPQJU-UKRRQHHQSA-N 303.402 3.312 10 10 DGCE Cc1cc(N(C)C)ccc1CNc1ccc2c(c1)OCCNC2 863649404 DBUXMPIXOFBSEY-UHFFFAOYSA-N 311.429 3.155 10 10 DGCE CSC[C@H]1CCCN1C(=O)c1cc2cc(O)c(O)cc2s1 897049866 QUASGHLFBYTTCO-SNVBAGLBSA-N 323.439 3.280 10 10 DGCE Cc1csc(C[C@@H]2CCCN(C(=O)c3cc(O)cs3)C2)n1 899538737 ACFQXMBODFZMJO-NSHDSACASA-N 322.455 3.314 10 10 DGCE COC(=O)c1ccc2c(c1)N(Cc1ccc(N(C)C)cc1)CC2 1198632436 CVGPCQXZGZDSTK-UHFFFAOYSA-N 310.397 3.102 10 10 DGCE CCN(CC)c1ccc(CNC(=O)C2(CC(C)=O)CCC2)cc1 1441718407 XNBPWAHHFLACQX-UHFFFAOYSA-N 316.445 3.298 10 10 DGCE C[C@@H](NC(=O)CCn1cnc2ccccc21)c1ccccc1O 1471193329 BRCQRDFTPNMYJQ-CYBMUJFWSA-N 309.369 3.009 10 10 DGCE O=C(NCc1cccc(Cl)c1O)c1coc2cc(O)ccc12 1558757394 CEOFUNVSDNOYST-UHFFFAOYSA-N 317.728 3.427 10 10 DGCE CCOc1cc(NCc2c(O)ccc3c2CCCC3)nc(C)n1 1559117165 HLFZHGNTPREOJD-UHFFFAOYSA-N 313.401 3.380 10 10 DGCE O=C(NCc1c(O)cccc1F)c1ccc(Cl)c([N+](=O)[O-])c1 1641881764 VPDQWGBOMCZJET-UHFFFAOYSA-N 324.695 3.023 10 10 DGCE CCC(=O)c1cc(C(=O)NCc2cc(C)ccc2O)ccc1F 1645800367 DCSNBHICGUFHKG-UHFFFAOYSA-N 315.344 3.362 10 10 DGCE CC(=O)c1cc(NC(=O)NCc2cc(C)ccc2O)ccc1F 1677406696 YLKNFAHBYJKWCT-UHFFFAOYSA-N 316.332 3.364 10 10 DGCE CN1C(=O)COc2cc(/N=N/N3CCCc4ccccc43)ccc21 1860487907 UFDDEZGYAYWCDD-FMQUCBEESA-N 322.368 3.493 10 10 DGCE CCC1=NN(CC(C)C)C(=O)/C1=C/c1cccc(OC)c1O 1865658355 GRPKCZWCHIDYSU-UKTHLTGXSA-N 302.374 3.048 10 10 DGCE Cc1cc(C(=O)Nc2ccc(Oc3ccc(N)cc3)cc2)n[nH]1 1866051373 XTUFXWGHKUGGBN-UHFFFAOYSA-N 308.341 3.345 10 10 DGCE Cc1ccc(CNCP(C)(C)=O)c(O)c1Br 1905180070 SDUAXOKXJCNUOJ-UHFFFAOYSA-N 306.140 3.133 10 10 DGCE CCN(c1ccc(CO)cc1)[C@H]1CCN(Cc2ccccc2)C1 1915067167 LGICEVBMCIMJOM-FQEVSTJZSA-N 310.441 3.280 10 10 DGCE CN(C(=O)Cc1ccc(N)cc1)[C@H]1CC[C@H]1OCc1ccccc1 1950435960 GFFNLUDANLHFSE-RBUKOAKNSA-N 324.424 3.018 10 10 DGCE Cc1cccc(CNCCC[C@@H](C)NC(=O)OC(C)(C)C)c1O 1971939728 KYTYELOMQLJYOY-CQSZACIVSA-N 322.449 3.484 10 10 DGCE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CN(c1ccc(N)cc1)CC2 1977969519 BLNRXRIYXBMAFP-HOTGVXAUSA-N 317.433 3.247 10 10 DGCE CC(C)(C)OC(=O)N1C[C@]2(C)C[C@]2([C@H](N)c2ccccc2O)C1 1978994563 QHHNHSYXTMHEGK-FHLIZLRMSA-N 318.417 3.039 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(N)cc2)[C@@H]1C1CC1 1991052363 DRBOVXQUQHLXCR-HOTGVXAUSA-N 317.433 3.469 10 10 DGCE Oc1cc(Br)ccc1CN1C[C@@H](F)C[C@H](F)C1 2011415546 SEEQGZQKAUJDFJ-QWRGUYRKSA-N 306.150 3.037 10 10 DGCE Oc1c(F)cc(F)cc1CN[C@H]1CCC=C1Br 2020061089 YVZSQMVUJGQRNX-NSHDSACASA-N 304.134 3.201 10 10 DGCE COc1ccc([C@@H](C)n2nccc2C(=O)OC(C)(C)C)c(O)c1 2069968762 UWMAOHNHVCWVBN-LLVKDONJSA-N 318.373 3.162 10 10 DGCE CN(C[C@@H]1C[C@H]1CF)c1cc(Br)c(CN)cc1F 2071382542 QYAYEHVWTBJSQH-WPRPVWTQSA-N 319.193 3.089 10 10 DGCE OCCc1ccccc1NCc1cc(Br)ccc1O 2100030464 IUPWDEFLWSAMDT-UHFFFAOYSA-N 322.202 3.302 10 10 DGCE CCNCc1ccc(N2C[C@@H]3C[C@@H]3[C@H]3C[C@@H]32)c(Br)c1 2117424719 QFOFFWNGWUMKKF-JFILPPLUSA-N 321.262 3.403 10 10 DGCE C[C@@]1(C2CC2)CNCCN1Cc1cc(Cl)cc(Cl)c1O 2151089286 LVHNLFKAEGHILO-HNNXBMFYSA-N 315.244 3.273 10 10 DGCE C[C@@H](N)c1cnc(Sc2nnc(C3CC3)n2C2CC2)s1 2159807287 JAYXSMXLSGTUDD-SSDOTTSWSA-N 307.448 3.118 10 10 DGCE COc1cc(Cl)cc(CN[C@H]2C[C@@]2(C)C(F)(F)F)c1O 2161751242 USQWXBJLBZBIHD-CMPLNLGQSA-N 309.715 3.485 10 10 DGCE C[C@H](O)c1ccc(N2CC(O)(c3ccsc3)C2)c(Cl)c1 2193349890 DJJJBKMXEMNUSW-JTQLQIEISA-N 309.818 3.163 10 10 DGCE CN[C@@H](c1ccccc1O)[C@]1(C)C=CCN1C(=O)OC(C)(C)C 2211738989 JFKNXIDPTPPCQC-YJBOKZPZSA-N 318.417 3.218 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN(Cc2cc(Br)ccn2)C1 2219106475 KYJBXPNULSKJEP-JTQLQIEISA-N 310.199 3.366 10 10 DGCE CSc1ncc(CN[C@H]2CCCc3nc(O)ccc32)s1 2284686715 AMHBEMJVGZPOPC-NSHDSACASA-N 307.444 3.133 10 10 DGCE CC(C)[C@@H](O)C(C)(C)NCc1cc(Br)ccc1O 2318029176 XQGDYXXDZDECSB-CYBMUJFWSA-N 316.239 3.040 10 10 DGCE Cc1ccc(N2C(=O)C(=Cc3ccc[nH]3)SC2=S)c(O)c1 2321628991 WJXYIRQBBZMIFW-UHFFFAOYSA-N 316.407 3.435 10 10 DGCE COc1ncc(Br)c(C)c1NCc1ccc(N)cc1 2344418572 BXHBRCGRVLQDOL-UHFFFAOYSA-N 322.206 3.355 10 10 DGCE COc1ccc(N(C)C[C@@]2(O)C[C@H]2C(F)(F)F)cc1Cl 2370438721 YSXLTLJYLQPVBM-NEPJUHHUSA-N 309.715 3.098 10 10 DGCE CN(C)c1ccc([C@H](Cc2ccc(Cl)cc2F)NN)cc1 97796683 XHQYEFVQMLYQIP-INIZCTEOSA-N 307.800 3.292 10 10 DGCE C[C@@H]1SCCS[C@H]1c1noc(COc2ccc(N)cc2)n1 161947051 NBUBEGSMERRRKJ-TVQRCGJNSA-N 323.443 3.140 10 10 DGCE CCNCc1ccc(N2CCO[C@H](C)C2)c(C(F)(F)F)c1 163655822 AWQNOLFWHVIDSM-LLVKDONJSA-N 302.340 3.040 10 10 DGCE CCOc1cc(CNCc2cccnc2)ccc1N1CCCC1 211893621 TXSQPPROUNDSKU-UHFFFAOYSA-N 311.429 3.370 10 10 DGCE CO[C@@H]1CN(Cc2cc(Br)ccc2O)CC[C@@H]1C 221275364 XMQDNQIYDOZNPG-IINYFYTJSA-N 314.223 3.012 10 10 DGCE CN(CC(F)(F)F)c1ccc(CN)c(Br)c1F 231839200 IHWJYUHZLDPPDR-UHFFFAOYSA-N 315.108 3.045 10 10 DGCE CN(C(=O)/C=C\c1ccccc1[N+](=O)[O-])c1ccc(Cl)cn1 255329947 HSNRRNREOPQKQL-TWGQIWQCSA-N 317.732 3.319 10 10 DGCE Oc1ccc(Br)cc1CN1CCCSCC1 273399068 LQDZQEUIZAYNFV-UHFFFAOYSA-N 302.237 3.094 10 10 DGCE CCOC(=O)[C@@H]1CC[C@H](N[C@@H](C)c2ccc(C)c(C)c2O)C1 280981996 JDMBBJGAIISXMO-ZNMIVQPWSA-N 305.418 3.391 10 10 DGCE CO[C@H](C)CN(Cc1cccc(Br)c1O)C(C)C 688095280 NPJFJXSLVPYJNT-LLVKDONJSA-N 316.239 3.400 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)c2ccsc2Br)C1 699133840 DJKKPTBYRGDSMA-SSDOTTSWSA-N 315.196 3.426 10 10 DGCE CSC[C@H](C)CNCc1c(O)cccc1Br 706880725 IPGHLKZIMRNBBB-SECBINFHSA-N 304.253 3.243 10 10 DGCE C[C@H](N[C@H]1CCCC2(C1)OCCO2)c1ccc(N(C)C)cc1 715640437 PTYOJYUFYMAFGZ-HOCLYGCPSA-N 304.434 3.089 10 10 DGCE C[C@@H](CNCc1cccc(Br)c1O)[C@H]1CCCO1 720520233 BQPGTVMORFJWGC-GXFFZTMASA-N 314.223 3.059 10 10 DGCE CC[C@H](N[C@H]1CC[C@@H]1OC)c1cc(Br)ccc1O 724200197 UYXLPVDHCGCUOB-OBJOEFQTSA-N 314.223 3.373 10 10 DGCE COc1ccc(O)c(CNC(=O)NCC[C@@H]2CCC[C@@H](C)C2)c1 734670007 CZVUDYUSVLWPDV-KGLIPLIRSA-N 320.433 3.416 10 10 DGCE CSCCCC(=O)NCc1ccc(N2CCCCC2)cc1 736072222 CUUSIGVRHAWEIX-UHFFFAOYSA-N 306.475 3.436 10 10 DGCE C[C@H]1CC2(CCC2)CN1Cc1ccc(N2CCN(C)CC2)cc1 763646144 JDQUYBFLKUTLNT-KRWDZBQOSA-N 313.489 3.203 10 10 DGCE CN(C)c1ccc(CN2CCC[C@]3(CCCOC3)C2)cc1F 769485725 OIMUSOMICOOTET-SFHVURJKSA-N 306.425 3.284 10 10 DGCE Clc1ccc(C2=CCN(c3ccc4nccnc4n3)CC2)cn1 773247286 HSFBVMDRVWRNEK-UHFFFAOYSA-N 323.787 3.367 10 10 DGCE Cc1cc(Cl)cc(CN[C@](C)(CO)c2ccccc2)c1O 776176098 XXTVZTVTRGAQEI-QGZVFWFLSA-N 305.805 3.351 10 10 DGCE CCN(Cc1nnc(C2CCC2)n1C)c1ccc(OC)cc1 782947854 MRTIWRQKJOIBAN-UHFFFAOYSA-N 300.406 3.118 10 10 DGCE CCOc1ccc(CN[C@H]2COc3ccc(F)cc3C2)c(O)c1 808452927 VBVFYYZHWMNMQW-OAHLLOKOSA-N 317.360 3.023 10 10 DGCE CN(C)c1ccc(CN2CCC(=O)Nc3ccccc32)cc1F 811508460 REQZLHOPSNTHLR-UHFFFAOYSA-N 313.376 3.241 10 10 DGCE COc1cc(Br)cc(CN2C[C@@H](C)[C@H]2C)c1O 816648605 MQFAVBZKJROALB-RKDXNWHRSA-N 300.196 3.004 10 10 DGCE C[C@H](N[C@H]1CCCCNC1)c1cccc(C(F)(F)F)c1O 817983694 IHXVKPAZGJUPPT-QWRGUYRKSA-N 302.340 3.204 10 10 DGCE CCN(CC)c1ccc(CN2CCC[C@@H](C)[C@@H]2C(=O)O)cc1F 818631093 CDUFEHMWMZILSC-CXAGYDPISA-N 322.424 3.357 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)NC2C[C@H]3C[C@@H]3C2)cc1 824860174 QSQOHCHYSKHLDS-HZPDHXFCSA-N 315.461 3.473 10 10 DGCE CC1=CC[C@@](C)(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)CC1 831931814 VCNIIUYYHZNBDF-SCLBCKFNSA-N 303.402 3.282 10 10 DGCE C[C@@H](NC/C=C/c1ccc(N(C)C)cc1)C(=O)Nc1ccccc1 835040373 OWCRUTFBDFXWAJ-KXPUMZMLSA-N 323.440 3.383 10 10 DGCE CN(C/C=C/c1ccc(N(C)C)cc1)C[C@@H]1CCCC[C@H]1O 835043686 BETYYTFYLZVMTM-BUPXIBQPSA-N 302.462 3.249 10 10 DGCE Oc1cc2c(cc1CN1CCC[C@@H]1[C@H]1CCCOC1)CCC2 842612832 OVULVKMNZXYWKX-FUHWJXTLSA-N 301.430 3.272 10 10 DGCE C[C@H](NCCC1(CN)CC1)c1cc(Cl)c(Cl)cc1O 844920178 KPWAAIONRAAGPY-VIFPVBQESA-N 303.233 3.479 10 10 DGCE C[C@H](NC(=O)c1ccn(C(C)(C)C)n1)c1ccc(N(C)C)cc1 846976582 GTUOPSBDSWTTGQ-ZDUSSCGKSA-N 314.433 3.195 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1OCc2ccccc21 847304488 SGKXMHJELXROFK-IBGZPJMESA-N 324.424 3.373 10 10 DGCE CC[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1O)[C@H]1CCCCO1 848567907 SLJGDGWLBLJDSX-DIOULYMOSA-N 308.378 3.299 10 10 DGCE CN(C)c1ccc(CN[C@H]2C[C@@H](O)c3ccccc32)cc1F 850372649 XBUJPBXSRKYKAE-FUHWJXTLSA-N 300.377 3.160 10 10 DGCE CC(C)[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)C1CC1 852137915 AVGOLJWIVMXEST-GOSISDBHSA-N 313.445 3.297 10 10 DGCE COc1ccc(N2CC[C@H](N[C@H](C)[C@@H]3C[C@H]3C3CC3)C2)cc1 858187373 TXSHRAYYRZDCNO-UVDFWXMISA-N 300.446 3.298 10 10 DGCE CC(C)n1ncc(C(=O)N(C)Cc2ccccc2O)c1Cl 860048414 UVCZJNCOAFINHX-UHFFFAOYSA-N 307.781 3.095 10 10 DGCE C[C@H](NCc1c(O)cccc1Br)c1cncs1 897929788 AGBYZSHCZGPYSR-QMMMGPOBSA-N 313.220 3.462 10 10 DGCE O=C(c1cc2cc(O)c(O)cc2s1)N1C[C@H]2CC=CC[C@H]2C1 899177252 PSUHWQINAHVONH-PHIMTYICSA-N 315.394 3.351 10 10 DGCE O=C(NCC[C@H]1CCCC1(F)F)NCc1c(O)cccc1F 924005360 BZBCKVLHRKTWRF-SNVBAGLBSA-N 316.323 3.156 10 10 DGCE CC(C)n1nccc1NC(=O)NCc1cccc(Cl)c1O 929307477 ZCCVLLDITDRZRS-UHFFFAOYSA-N 308.769 3.145 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CCC[C@@H](F)C1 1348976931 CICAMTFGIITISI-ZIAGYGMSSA-N 305.393 3.416 10 10 DGCE C/C=C\[C@@H](O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 1442442988 BKNAIVDWQIHHET-BKSIFSGMSA-N 316.445 3.009 10 10 DGCE Cc1ccc(O)c(CNC(=O)C(F)(F)Cc2ccccc2)c1 1470254908 OAWQOOMOEOFVLN-UHFFFAOYSA-N 305.324 3.195 10 10 DGCE CCOC(=O)C1(N(C)Cc2ccc(N(C)C)cc2)CCCCC1 1473237715 LJVHWPGWPRMNBW-UHFFFAOYSA-N 318.461 3.450 10 10 DGCE CCO[C@@H](C(=O)Nc1c(Cl)ccc2nonc12)C1CCCC1 1539053863 CVCOLQNJMMAIHG-CQSZACIVSA-N 323.780 3.410 10 10 DGCE O=C(NCc1cccc(OC(F)(F)F)c1)c1cc(O)cs1 1607524779 GECOODCGYLJGKP-UHFFFAOYSA-N 317.288 3.282 10 10 DGCE C[C@H](NC(=O)Cc1cc(F)c(F)cc1F)c1ccccc1O 1635804012 NAYTUTFMRJXKPK-VIFPVBQESA-N 309.287 3.229 10 10 DGCE CCOc1ccc(N(CC(=O)NCC2CCC2)CC2CC2)cc1 1648030530 NWKIHOKWUJXWAU-UHFFFAOYSA-N 316.445 3.218 10 10 DGCE C[C@@H](NC(=O)c1ccc2c(C=O)c[nH]c2c1)c1ccccc1O 1648892294 URSKFFSLQGCVRJ-LLVKDONJSA-N 308.337 3.177 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)c1ccncc1[N+](=O)[O-] 1651339197 KXTXHKJNKRTXJM-UHFFFAOYSA-N 312.373 3.226 10 10 DGCE CC(C)[C@H](C[C@@H](N)c1ccccc1O)NC(=O)OC(C)(C)C 1928471947 MUJIKLSBTJRPLG-KGLIPLIRSA-N 308.422 3.331 10 10 DGCE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNCc1ccc(N)cc1 1937860040 QCNYVTDYEJLTDY-BBRMVZONSA-N 319.449 3.004 10 10 DGCE CN(C(=O)Cc1ccc(N)cc1)[C@@H]1CC[C@H]1OCc1ccccc1 1950435961 GFFNLUDANLHFSE-RTBURBONSA-N 324.424 3.018 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@]2(CCCN(CCCN=[N+]=[N-])C2)C1 1982241276 GYVOBXAPYXKGGM-INIZCTEOSA-N 323.441 3.410 10 10 DGCE CC[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CN1CCCN=[N+]=[N-] 1982247905 NKHAYTLVZQTRBL-BFHYXJOUSA-N 323.441 3.264 10 10 DGCE Nc1ccc(CCOCc2cc(Br)sn2)cc1 2024819474 DIJKUKZMOQWPJP-UHFFFAOYSA-N 313.220 3.247 10 10 DGCE COc1cccc(O)c1CNc1cccnc1Br 2042571181 POZVNBGOXHFRGD-UHFFFAOYSA-N 309.163 3.170 10 10 DGCE CC[C@@H](CN(C)c1ccc([C@@H](C)N)c(Br)c1)OC 2068254604 QXFYMXSGRMQQQM-PWSUYJOCSA-N 315.255 3.330 10 10 DGCE NCc1cc(C2CCCC2)nn1Cc1ccc(Cl)cc1O 2070144586 LNOSIXJZQGQRJO-UHFFFAOYSA-N 305.809 3.407 10 10 DGCE Oc1cccc(Br)c1CNC[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2 2070860112 ASYLRIVCRNCNPG-AOVQSLKQSA-N 308.219 3.146 10 10 DGCE CC[C@H]1CC[C@H](CNCc2cccc(Br)c2O)O1 2081655681 KQULKXNOOADXCL-NWDGAFQWSA-N 314.223 3.202 10 10 DGCE CCOC(=O)C1CCC(Sc2ncc([C@@H](C)N)s2)CC1 2159808819 GGEGUCAZUKVPLD-KPPDAEKUSA-N 314.476 3.377 10 10 DGCE CCN1CCc2cc([C@H](N)c3ncc(SC)s3)ccc21 2163130427 HMERKXUYHVEDDA-AWEZNQCLSA-N 305.472 3.296 10 10 DGCE CN1CCCc2cc([C@@H](NN)c3ccsc3Cl)ccc21 2176408125 NIGNKSHAVUHSKB-CQSZACIVSA-N 307.850 3.337 10 10 DGCE CN[C@@H](C)c1ccc(N(C)[C@@H](CCO)C(F)F)cc1Cl 2178502337 YLIJRYHKLCDZAP-ZANVPECISA-N 306.784 3.073 10 10 DGCE CC1(c2ccc(NC(=O)Nc3ccc(N)cc3)cc2)OCCO1 2191531355 SAZMOUWBOCKMKI-UHFFFAOYSA-N 313.357 3.132 10 10 DGCE CCc1cccc(CNc2cn(C)nc2Br)c1O 2223052077 UGSOXNDOQSQSMH-UHFFFAOYSA-N 310.195 3.063 10 10 DGCE NCc1ccc(N2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2)c(Br)c1 2228683919 AWRJXPQWBLTXOP-XJFOESAGSA-N 319.246 3.166 10 10 DGCE Cc1cc(Br)cc([C@H](O)[C@H](N)c2ccccc2O)c1 2228998155 XNHJMDSUVIBRFY-CABCVRRESA-N 322.202 3.197 10 10 DGCE C[C@@H]1COC(C)(C)CN1Cc1c(O)cccc1Br 2256720791 OBIHAJVNYALOMC-SNVBAGLBSA-N 314.223 3.154 10 10 DGCE CSc1ncc(CNc2cc(N)c(C)cc2[N+](=O)[O-])s1 2284723910 HHNRWCRBVVMVQY-UHFFFAOYSA-N 310.404 3.276 10 10 DGCE CO[C@@H](CSc1ncc(C(=N)NO)s1)C1CCCCC1 2296265093 KJBGGDUBPOJQET-JTQLQIEISA-N 315.464 3.135 10 10 DGCE CC1=NN(c2ccc(C(=O)O)cc2)C(=O)C1=Cc1cccc(F)c1 2297707502 MNLAVOFOWPWZFF-UHFFFAOYSA-N 324.311 3.330 10 10 DGCE CS[C@@H]1CC[C@H]1N(C)c1ccc(CN)cc1Br 2307726714 IDUGNHBSDIQXBJ-CHWSQXEVSA-N 315.280 3.238 10 10 DGCE CC[C@H]1CC(=O)CN1Cc1ccc(C)c(Br)c1O 2327540554 XWJFENKRUNJSRM-NSHDSACASA-N 312.207 3.017 10 10 DGCE Cc1ccc(CNC(=O)[C@@]2(C)C[C@H]2C)c(O)c1Br 2327590806 BXCFTOJHONTOIO-OTYXRUKQSA-N 312.207 3.125 10 10 DGCE CC1=NN(c2ccccn2)C(=O)C1=Cc1c[nH]c2ccccc12 2332128060 MMSWZLGOHCUTNS-UHFFFAOYSA-N 302.337 3.369 10 10 DGCE Cc1ccc(CNC(=O)C[C@@H]2CC23CC3)c(O)c1Br 2352947174 GWJFPSMDWSNMKQ-LLVKDONJSA-N 324.218 3.270 10 10 DGCE COc1ccc(N(C)C[C@]2(O)C[C@H]2C(F)(F)F)cc1Cl 2370438724 YSXLTLJYLQPVBM-VXGBXAGGSA-N 309.715 3.098 10 10 DGCE CSc1ncc(CN[C@]2(C(=O)O)CC(C)(C)C[C@@H]2C)s1 2371898155 PEEKRUDUGGEWJN-LKFCYVNXSA-N 314.476 3.234 10 10 DGCE CCCOc1ccc(/C=C2\SC(=S)N(C)C2=O)cc1OC 5952139 CTQMQVZQTJEPEL-LCYFTJDESA-N 323.439 3.315 10 10 DGCE Cc1nc(C)c([C@H](C)NCc2cc3c(cc2O)OCO3)s1 42880355 DANDTZBXLXTHSA-QMMMGPOBSA-N 306.387 3.045 10 10 DGCE CC[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)[C@H]1CCCO1 90857027 ATHBDEMBIHHPSF-ZYSHUDEJSA-N 318.461 3.131 10 10 DGCE CN(Cc1ccccc1O)C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 109088330 HWEKWUKTUMHKKS-KGLIPLIRSA-N 317.335 3.433 10 10 DGCE C[C@@H](Nc1ccc2c(c1)CCO2)c1cc([N+](=O)[O-])ccc1O 273352959 CBOCJBKHZLYBTG-SNVBAGLBSA-N 300.314 3.408 10 10 DGCE CC[C@@H](N[C@H]1CCC(=O)NC12CCC2)c1cccc(Cl)c1O 286866567 BLZWRRRPOOJURA-KGLIPLIRSA-N 322.836 3.288 10 10 DGCE Cn1nccc1C1=CCN(Cc2c(O)cccc2Cl)CC1 289093520 BRWSBMUZAHGNCN-UHFFFAOYSA-N 303.793 3.068 10 10 DGCE CC(C)c1nc([C@@H](C)NCc2cc(Cl)c(F)cc2O)n[nH]1 293547731 GRLDNLFWEBGFHC-MRVPVSSYSA-N 312.776 3.277 10 10 DGCE Oc1cc(F)c(Cl)cc1CNCc1ccc2c(c1)OCCO2 294300083 PXYLJGHQOYMCDG-UHFFFAOYSA-N 323.751 3.246 10 10 DGCE O=[N+]([O-])c1ccc(I)c2c(O)csc12 307217589 UUMDZQVTOFUIPH-UHFFFAOYSA-N 321.095 3.120 10 10 DGCE COC[C@@H](C)CN(C)[C@H](C)c1cc(Br)ccc1O 381325514 HAXSJQCWSHNNGV-WDEREUQCSA-N 316.239 3.430 10 10 DGCE CCN(C(=O)/C=C\c1cnc2ccccc2n1)c1ncccc1C 492640534 MMHUMGBGTPSVGH-KHPPLWFESA-N 318.380 3.400 10 10 DGCE COC(=O)/C=C\c1ccc(N(C)CC2CCCC2)c([N+](=O)[O-])c1 746387569 LONMOKMMBRBSAU-NTMALXAHSA-N 318.373 3.407 10 10 DGCE C[C@@H]1CN(C)C[C@@H]1NCc1ccc(N(C)C2CCCCC2)cc1 756106334 IHMORIFFYFZLMG-UZLBHIALSA-N 315.505 3.495 10 10 DGCE COc1ccc(N(C)Cc2cn3cccc(F)c3n2)cc1OC 761220549 GRUKJOWDPDTCJW-UHFFFAOYSA-N 315.348 3.127 10 10 DGCE C[C@@H]1CCC[C@@H](CCNC(=O)/C=C/c2ccc(O)c(O)c2)C1 779517633 CGEAABCNJQCRLH-RNUUNTDPSA-N 303.402 3.444 10 10 DGCE Oc1ccc(Cl)c(F)c1CNC[C@@H]1COc2ccccc2O1 790947584 SYWBWOJZDKUKRL-SNVBAGLBSA-N 323.751 3.114 10 10 DGCE Cc1cc(CN[C@H](CO)c2sccc2C)ccc1N(C)C 815096228 ZAPGXFRGRYQTQV-OAHLLOKOSA-N 304.459 3.254 10 10 DGCE CCOc1cccc(CNC[C@H]2CCO[C@H](C(C)C)C2)c1O 824799166 LCNIYEJASOSYRM-YOEHRIQHSA-N 307.434 3.332 10 10 DGCE Cc1cc(C(=O)N[C@@H](C)[C@H](C)N)c(C)n1-c1ccc(Cl)cc1 834820786 CUZDTAHSRUUHDJ-RYUDHWBXSA-N 319.836 3.213 10 10 DGCE C[C@H](NC(=O)N1CCC[C@](C)(F)C1)c1ccc(N(C)C)cc1 836405362 DLSOLFJEIDSZLZ-GUYCJALGSA-N 307.413 3.347 10 10 DGCE Cc1sc(NCCCSc2nccs2)nc1C(=O)O 844211424 PRGMFIMFYXNMTJ-UHFFFAOYSA-N 315.445 3.201 10 10 DGCE C[C@@H](N[C@@H]1CCO[C@H](c2ccncc2)C1)c1cc(F)ccc1O 846199979 CWXFBLWNFOGIMB-DWQUBVKVSA-N 316.376 3.497 10 10 DGCE CN1CC[C@@H](NCc2ccc(N3CCCC3)cc2)CC1(C)C 858094770 RVDKFTJZHQNULA-QGZVFWFLSA-N 301.478 3.249 10 10 DGCE CC[C@H](NCCCSc1nccs1)[C@H]1CCCOC1 872038476 NZCAHFKWFYOIHL-STQMWFEESA-N 300.493 3.420 10 10 DGCE COc1cc(C)cc(CN[C@@H](C2CCC2)[C@H]2CCCO2)c1O 895449326 GRBVASGZKWPKNU-WBVHZDCISA-N 305.418 3.147 10 10 DGCE COc1ccc(N2CCC(NC3C[C@@H]4[C@@H](C3)C4(F)F)CC2)cc1 1118420358 OGMUSSXPKLGTRD-IAGOWNOFSA-N 322.399 3.297 10 10 DGCE Cc1ccc(C(=O)Nc2ccc(O)c(C(C)C)c2)c(O)c1O 1175756430 KAJIILKLVZQMQH-UHFFFAOYSA-N 301.342 3.488 10 10 DGCE COc1cc(Cl)cc(CN2C[C@H]3C[C@H]2C(F)(F)C3)c1O 1233287710 DKBYXBFMJCAYPW-UFBFGSQYSA-N 303.736 3.284 10 10 DGCE O=C(c1cc(O)cs1)N1CCO[C@H](c2ccccc2)CC1 1522755055 HJLXTMJLDYFOMU-AWEZNQCLSA-N 303.383 3.058 10 10 DGCE C[C@@H](NC(=O)[C@H]1CCOc2c(F)cccc21)c1ccccc1O 1557967655 IPCZHQVQJIJQPH-RISCZKNCSA-N 315.344 3.275 10 10 DGCE CCN(C)c1ccc(CN(CCC(=O)OC)CC(C)C)cc1 1559510118 CBWGPEKZKRYQIB-UHFFFAOYSA-N 306.450 3.164 10 10 DGCE CC[C@H]1CCCC[C@H]1CNC(=O)NCc1ccc(OC)cc1O 1564846713 BHHXFNTXHQRCNL-KBPBESRZSA-N 320.433 3.416 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCOC2(C)C)cc1 1587725267 WGICWVKJCDUZKV-QGZVFWFLSA-N 312.413 3.391 10 10 DGCE C[C@@H](SCc1ccccc1)C(=O)NCc1ccc(O)cc1O 1630301532 FACUPWSQPYWUIA-GFCCVEGCSA-N 317.410 3.036 10 10 DGCE CN(Cc1cc2ccccc2o1)C(=O)Cc1ccc(O)c(O)c1 1630733651 IUKBKJMJMWYQEA-UHFFFAOYSA-N 311.337 3.045 10 10 DGCE CCN(CCOC(=O)Cc1ccccc1)c1ccc(OC)cc1 1644855463 CISORTBQQNYXLN-UHFFFAOYSA-N 313.397 3.307 10 10 DGCE CC[C@@H](C)C(=O)NC[C@H]1C[C@H](NCc2ccc(OC)c(C)c2)C1 1691768231 PTHBXSZXTHUDHU-KBRIMQKVSA-N 318.461 3.034 10 10 DGCE O[C@@H]1C[C@H]2CN(c3ccc(OCc4ccccc4)cc3)CC[C@@H]12 1899862117 DPMLDHDOSYEHOL-PWIZWCRZSA-N 309.409 3.473 10 10 DGCE C[C@H](CCNCc1ccc(N)cc1)N(C)C(=O)OC(C)(C)C 1931966775 GLMPEHUWTGHFLL-CYBMUJFWSA-N 307.438 3.004 10 10 DGCE Cc1ccc(O)c(CNCCC2CN(C(=O)OC(C)(C)C)C2)c1 1938402215 LOQFNGCOBTUIOH-UHFFFAOYSA-N 320.433 3.047 10 10 DGCE C[C@H]1N(Cc2ccccc2)CC[C@]1(O)c1ccc(N(C)C)cc1 1977939635 RPAAYVISZLKKIC-OXQOHEQNSA-N 310.441 3.235 10 10 DGCE CN1CCc2cc([C@@H](O)c3cnn(Cc4ccccc4)c3)ccc21 1999507806 HNHXOGSLBHVKLD-HXUWFJFHSA-N 319.408 3.005 10 10 DGCE NCc1ccc(N2CCCC[C@H]2CF)cc1Br 2004419083 CLHQFSHPTKKXFF-LBPRGKRZSA-N 301.203 3.236 10 10 DGCE Oc1c(Br)cccc1CNOCC1(F)CCC1 2008500478 AYQZJWHMALJSGA-UHFFFAOYSA-N 304.159 3.068 10 10 DGCE Oc1cc(Br)ccc1CNC[C@H]1CCCOCC1 2028648044 YPHBWMSCJCMDBT-NSHDSACASA-N 314.223 3.061 10 10 DGCE CC[C@@H](O)CN(CC)c1ccc([C@@H](C)O)c(Br)c1 2044544199 QRVUPAWASILPFZ-ZYHUDNBSSA-N 316.239 3.100 10 10 DGCE Cc1cccc([C@H](C)n2nc(C3CC3)cc2C(=O)N(C)C)c1O 2070091934 OXRXINPGYKZCEK-LBPRGKRZSA-N 313.401 3.086 10 10 DGCE CSCC[C@H](O)CCNCc1cc(Cl)cc(Cl)c1O 2090389179 ZTXVJOMCLFOHRP-LLVKDONJSA-N 324.273 3.293 10 10 DGCE CN[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1cc(Cl)cc(Cl)c1O 2151265740 ICMZCHPDSUCIIC-CLLJXQQHSA-N 315.244 3.414 10 10 DGCE CCCN[C@](CSc1nccs1)(C[C@H](C)CC)C(=O)O 2207914584 IKRJIVWFAWCOJU-RISCZKNCSA-N 316.492 3.494 10 10 DGCE CN(C)c1ccc(OCc2ncccc2Br)cc1 2221881328 DFRPYMYIIOQZIW-UHFFFAOYSA-N 307.191 3.489 10 10 DGCE C[C@H](NCc1conc1Br)c1ccc(N(C)C)cc1 2230522543 WKVXBYJBEGSFFY-JTQLQIEISA-N 324.222 3.354 10 10 DGCE CCNCc1ccc(N2CCc3ncsc3C2)c(Cl)c1 2287205425 OMGCKJBEIYTGPN-UHFFFAOYSA-N 307.850 3.469 10 10 DGCE CC[C@@H](C)[C@H](C)NC(=O)C=Cc1ccc(N2CCOCC2)cc1 2297505352 IKXOIMXYPWJIPK-CVEARBPZSA-N 316.445 3.087 10 10 DGCE CC[C@H](C)C(=O)NCc1ccc(C)c(Br)c1O 2307569438 FVIZWWRYBUDHRC-QMMMGPOBSA-N 300.196 3.125 10 10 DGCE CC[C@@](C)(CNCc1ccc(C)c(Br)c1O)OC 2327618879 OLQGDHXXAMDHGO-AWEZNQCLSA-N 316.239 3.368 10 10 DGCE CCN1CCN(N=Nc2ccc(Br)c(C)c2)CC1 2330251380 CBAGNWBCIAZDFH-UHFFFAOYSA-N 311.227 3.394 10 10 DGCE CCCC1=NN(CCC)C(=O)C1=Cc1ccc(C(=O)OC)cc1 2332134861 SATHDAOFWJPBFN-UHFFFAOYSA-N 314.385 3.265 10 10 DGCE COc1cccc(CNc2cc(O)ccc2Br)c1O 2344262625 YNSDJOZBVMYPGH-UHFFFAOYSA-N 324.174 3.481 10 10 DGCE CN1CCC2(CC1)CN(Cc1ccc(N)cc1)c1ccccc1N2 75281254 OJLLWCYQDNKTNO-UHFFFAOYSA-N 322.456 3.165 10 10 DGCE Cc1cc(Br)cnc1N(C)Cc1ccc(N)cc1 94051533 YAANVWOAFPXXMI-UHFFFAOYSA-N 306.207 3.371 10 10 DGCE COC[C@@H](C)NC(=O)/C=C\c1cc(C)n(-c2ccccc2)c1C 96943380 ITCBRBLBSUUFOJ-IWMPZKFUSA-N 312.413 3.258 10 10 DGCE NC(=O)c1cc(NCc2c(O)cccc2Cl)ccc1Cl 127275521 YOKKGSOTNHHWHS-UHFFFAOYSA-N 311.168 3.410 10 10 DGCE C[C@H](NCc1cccnc1-n1ccnc1)c1ccc(N(C)C)cc1 151494055 FQZWOPXHBNZVQI-HNNXBMFYSA-N 321.428 3.184 10 10 DGCE Cc1cc(Cl)cc(CN2CCC(Cn3cccn3)CC2)c1O 180125884 NMMZKGALTVIXBY-UHFFFAOYSA-N 319.836 3.463 10 10 DGCE CC(C)(O)CN(Cc1ccccc1)Cc1cc(F)ccc1O 180385511 SYNXWNXCDUQJKB-UHFFFAOYSA-N 303.377 3.304 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/C1CCCCC1 186440839 GLLGDACHCYRQKI-FROQITRMSA-N 303.402 3.282 10 10 DGCE COC(=O)[C@H]1CC[C@@H](N[C@@H](C)c2cc3c(cc2O)CCCC3)C1 193876597 FRAPMVIJWHZPEC-VBNZEHGJSA-N 317.429 3.263 10 10 DGCE [N-]=[N+]=NCCCCNC(=O)c1csc(Br)c1 231731576 UBHWPEHNKYFYCS-UHFFFAOYSA-N 303.185 3.331 10 10 DGCE CC[S@](=O)[C@@H]1CCC[C@@H](N[C@@H](C)c2ccc(C)cc2O)C1 248485993 FJASGGPQGYOTMG-ZLOLFTAESA-N 309.475 3.431 10 10 DGCE Cc1cc(/C=C\C(=O)N2CCC[C@@H](N)C2)c(C)n1-c1ccccc1 255588881 NMXFAMSMKNXHMB-RXQFDZFGSA-N 323.440 3.057 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2C(=O)CC1CC(C)(C)C1 341355621 IKFOXGKAWZATPH-UHFFFAOYSA-N 302.418 3.304 10 10 DGCE CCOc1cccc(CN2CCCC[C@@H](CCOC)C2)c1O 368678847 VFDUDQWLOOXTKJ-HNNXBMFYSA-N 307.434 3.430 10 10 DGCE C[C@H](NCc1ccn(Cc2ccccc2)n1)c1ccc(O)cc1O 389916762 AHKXCHMVJYJXDB-AWEZNQCLSA-N 323.396 3.193 10 10 DGCE Cc1cc(CNCc2cc(Br)ccc2O)ccn1 391129184 MMUWSLDNEIVXKP-UHFFFAOYSA-N 307.191 3.148 10 10 DGCE CNCc1ccc(N(C)CCCCOC)cc1Br 397176088 CJGDFLLXNFSXNU-UHFFFAOYSA-N 315.255 3.031 10 10 DGCE CCc1ccc([C@H]2CC(C(=O)Nc3ccc(N)cc3)=NO2)cc1 586032332 ALJFIZNXABJEHE-QGZVFWFLSA-N 309.369 3.287 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@]2(CC=CCC2)C1 588404402 ARYXHEQSLOZRDW-MONCILHSSA-N 313.397 3.460 10 10 DGCE CN(Cc1ccccc1O)C(=O)NCc1ccc2ccccc2n1 734279149 UQORDXVTMYZLON-UHFFFAOYSA-N 321.380 3.282 10 10 DGCE CC[C@@H]1C[C@@H](C)CN1c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] 745975217 FUNPXOASAJNQBQ-JDQXGDOCSA-N 318.373 3.406 10 10 DGCE COc1ccccc1[C@H](O)CN[C@H](C)c1cc(F)cc(F)c1O 756459498 NWJIRRQZJCSGHS-MEBBXXQBSA-N 323.339 3.063 10 10 DGCE C[C@@H](Nc1cccc([C@H]2CNC(=O)C2)c1)c1ccc(F)cc1O 757619074 KJXQLDIWIPQJRV-DGCLKSJQSA-N 314.360 3.308 10 10 DGCE COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1cc(Cl)cc(C)c1O 786578120 HUNXIVUBPUAPET-DFBGVHRSSA-N 323.820 3.128 10 10 DGCE Cc1ccc(CN(CCO)Cc2cc(Cl)cc(C)c2O)o1 793367340 ZHIBYMSBSBRZEE-UHFFFAOYSA-N 309.793 3.250 10 10 DGCE CCOC(=O)[C@@H]1CC[C@H](N[C@@H](C)c2cc(Cl)ccc2O)C1 798004295 VPIWHIZSTGLSJB-LOWVWBTDSA-N 311.809 3.428 10 10 DGCE C[C@@H](N[C@H]1COc2ccc(F)cc2C1)c1ccc(F)cc1O 808729138 HPZXXGLOIMUARK-QMTHXVAHSA-N 305.324 3.325 10 10 DGCE CN(C)c1ccc(CNC(=O)C(C)(C)C(C)(F)F)cc1F 822861645 CWCAGJZPCZPUQN-UHFFFAOYSA-N 302.340 3.189 10 10 DGCE COc1cc(Cl)cc(CN[C@H](C)Cc2cccc(O)c2)c1O 825124120 IDAVGEQPVLJLOL-LLVKDONJSA-N 321.804 3.481 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)c1ccc2c(c1)CCN2 830597824 SXKNOQRAUCCDHN-UHFFFAOYSA-N 322.408 3.169 10 10 DGCE CCN1C[C@H](C)N(C/C=C/c2ccc(N(C)C)cc2)C[C@@H]1C 835025882 MLCWPEIXNLHALQ-FNQZAJIHSA-N 301.478 3.180 10 10 DGCE CO[C@H](C)c1cccc(NC(=O)NCCc2ccc(N)cc2)c1 841099109 CXTHGCOQYKXJBP-CYBMUJFWSA-N 313.401 3.340 10 10 DGCE COC[C@H](CC(C)(C)C)N[C@H](C)c1cc([N+](=O)[O-])ccc1O 848564915 RWVJVUIAJQLREW-NEPJUHHUSA-N 310.394 3.402 10 10 DGCE COc1cc(CN[C@](C)(CO)C(C)C)c(O)c(C(C)(C)C)c1 850307548 YQYHMQJIIDDXSF-GOSISDBHSA-N 309.450 3.195 10 10 DGCE C[C@H](NC[C@@H]1C(C)(C)C1(F)F)c1cc([N+](=O)[O-])ccc1O 850550992 FXQPENNIUNFHNR-QPUJVOFHSA-N 300.305 3.242 10 10 DGCE C[C@H](NCC1(CC(N)=O)CCCCC1)c1cc(F)ccc1O 850572093 AFNKFFBYDJYLRC-LBPRGKRZSA-N 308.397 3.008 10 10 DGCE Cc1cc(Cl)cc([C@@H](C)N[C@@H]2CCN(C3CCC3)C2=O)c1O 858602557 BVOKXQAFTZPJOO-IAQYHMDHSA-N 322.836 3.158 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1[C@H]2C[C@@H]3CO[C@H]1[C@H]3C2 865694100 SNTSPPPGRUMIJU-RKDJDTAZSA-N 314.212 3.212 10 10 DGCE CC[C@H](C[C@@H](C)O)NCc1cc(OC)cc(C(C)(C)C)c1O 865876041 HPPUVIRSKRMTMJ-TZMCWYRMSA-N 309.450 3.337 10 10 DGCE C[C@@H](Nc1cccc2c1NC(=O)CO2)c1ccc(N(C)C)cc1 866631051 CTSFSTCLXZLQDE-GFCCVEGCSA-N 311.385 3.257 10 10 DGCE O=C(c1cccc([C@H]2CCOC2)c1)N1Cc2cccc(O)c2C1 871203811 RLJNQWSPMXOPNV-INIZCTEOSA-N 309.365 3.052 10 10 DGCE COc1cc(C)cc(CNC[C@H]2CCN2C2CCCCC2)c1O 895391259 WIXBJPFYFNLEBR-QGZVFWFLSA-N 318.461 3.206 10 10 DGCE CCN(C)c1ccc([C@H](C)N[C@H]2C[C@@H]3OC(C)(C)O[C@@H]3C2)cc1 927056643 CUVGHXCKNKEQAT-QXRTWZOPSA-N 318.461 3.476 10 10 DGCE CC(C)CCn1nccc1NC(=O)NCc1c(O)cccc1F 930947701 SZIBQIGVLHBPNS-UHFFFAOYSA-N 320.368 3.096 10 10 DGCE C[C@H](NC(=O)c1cccc(O)c1O)c1ccc2c(c1)CCCC2 1138096274 BNKAVOQXKINEIE-LBPRGKRZSA-N 311.381 3.468 10 10 DGCE O=S(=O)(Nc1ccc(O)c(F)c1)c1ccc(Cl)cc1F 1259511082 ASAQVJYMTZAQFM-UHFFFAOYSA-N 319.716 3.125 10 10 DGCE CC[C@H](CNC(=O)C1CC(C)C1)NCc1ccc(OC)c(C)c1 1318511868 LKLMCNYSNGQBLO-QWFMPGPPSA-N 318.461 3.034 10 10 DGCE CC(C)C(=O)Nc1ccc(OC(=O)c2cc(O)cs2)cc1 1445944721 HZMJBARAFROWJA-UHFFFAOYSA-N 305.355 3.267 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)NCCCc2cccs2)cc1 1446181152 GJXHPOFNDLLBHO-UHFFFAOYSA-N 316.386 3.273 10 10 DGCE CN(C)C1(C(=O)NCc2c(O)ccc3ccccc23)CCCC1 1597742519 MPXGNVOBLDORSR-UHFFFAOYSA-N 312.413 3.036 10 10 DGCE c1ccn2cc(CNCc3ccc(N4CCCC4)cc3)nc2c1 1620699141 BCPUHUDZBAUKKJ-UHFFFAOYSA-N 306.413 3.224 10 10 DGCE Cc1ccc(C(=O)N[C@@H](C)c2ccccc2O)c(N)c1Cl 1632255407 QJIPSXFEFNJHOA-JTQLQIEISA-N 304.777 3.427 10 10 DGCE COc1cc(CCNC(=O)c2cc(O)cs2)ccc1Cl 1641325799 NFFOEGXMIJJSFT-UHFFFAOYSA-N 311.790 3.088 10 10 DGCE CCN(Cc1cnn(-c2ccccc2)n1)c1ccc(OC)cc1 1652788438 KPFOTTJMCWYBKX-UHFFFAOYSA-N 308.385 3.302 10 10 DGCE COc1ccc(CNCCN(C)C(=O)CCC2(C)CC2)cc1C 1731971265 OOPUBWKHZQGCAX-UHFFFAOYSA-N 318.461 3.132 10 10 DGCE [N-]=[N+]=N[C@H]1CCN(Cc2cc(Br)cc3c2OCC3)C1 1912156383 TZXWSJQIRAQRKQ-LBPRGKRZSA-N 323.194 3.269 10 10 DGCE CC[C@@H](O)CN(Cc1ccccc1)c1c(F)cc(CN)cc1F 1915378742 PULGZEDRRACCEN-OAHLLOKOSA-N 320.383 3.201 10 10 DGCE C[C@H]1[C@@H](CNCc2c(O)cccc2Br)C1(F)F 1947973750 VIKZISIJBLQNTQ-IONNQARKSA-N 306.150 3.146 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCCCN(CCCCN=[N+]=[N-])C1 1962298286 CPUIXINWIMOLSF-CYBMUJFWSA-N 311.430 3.456 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1C[C@H]2CCCCN2C1 1969658376 ANPRPIXYTHZWFB-CHWSQXEVSA-N 315.244 3.415 10 10 DGCE Cc1ccc(O)c(CNCCC2(NC(=O)OC(C)(C)C)CC2)c1 1972551254 CUORJWVNCUXPPE-UHFFFAOYSA-N 320.433 3.238 10 10 DGCE CO[C@H]1[C@@H](NCc2ccc(Br)cc2O)CC1(C)C 1974298509 LANBEAYDYYLBEJ-AAEUAGOBSA-N 314.223 3.058 10 10 DGCE CC[C@@H]([C@H](O)c1ccc(N(C)C)cc1)N(C)C(=O)OC(C)(C)C 1977940301 XUBKZPTYMMDKLG-JKSUJKDBSA-N 322.449 3.432 10 10 DGCE C[C@H](N)c1ccc(N(C)C[C@@H]2C[C@H]2F)cc1Br 2014704119 CSAAUTQFAMJFPP-MWODSPESSA-N 301.203 3.263 10 10 DGCE Cc1cc(CO)ccc1N(C)Cc1cc(Br)co1 2050634551 LASZLDPEPOUEJA-UHFFFAOYSA-N 310.191 3.479 10 10 DGCE COC(=O)c1cc(CC(C)C)nn1[C@H](C)c1cc(C)ccc1O 2070002905 FVTUIJLNWDQHBS-CYBMUJFWSA-N 316.401 3.492 10 10 DGCE CNCc1cc(C(C)C)nn1[C@H](C)c1c(O)cccc1OC 2070175918 ZGWOHSYHDZDYKM-GFCCVEGCSA-N 303.406 3.049 10 10 DGCE CC(C)N1C[C@H]2C[C@H]1CN2Cc1cc(Cl)cc(Cl)c1O 2187560873 VELFSUQNWSTAHU-OLZOCXBDSA-N 315.244 3.366 10 10 DGCE NCc1ccc(N2[C@H]3CCC[C@@H]2CN(Cc2ccccc2)C3)cc1 2213927607 NOXIOCLQUCGJTA-OYRHEFFESA-N 321.468 3.389 10 10 DGCE Oc1c(Br)cccc1CN[C@H]1CCC[C@@H]1CF 2251068368 KAQQQQJGBOEJEW-SKDRFNHKSA-N 302.187 3.383 10 10 DGCE CCN(CCN=[N+]=[N-])C(=O)Cc1ccc(Br)cc1 2315988479 JCYSWCIZNQXOAC-UHFFFAOYSA-N 311.183 3.150 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@@]1(O)C[C@@H]2CCC[C@@H]21 2357509110 IZEAWXWFAAUCSZ-FMSQNYNMSA-N 316.228 3.340 10 10 DGCE CSC[C@H](C)CNCc1cc(OC(F)(F)F)ccc1O 2361167634 FHHKCBBATIMQIC-SECBINFHSA-N 309.353 3.380 10 10 DGCE CSc1ncc(CN[C@@]2(C(=O)O)CCCC(C)(C)C2)s1 2371819122 ILNAWNVNNXOLRR-AWEZNQCLSA-N 314.476 3.378 10 10 DGCE Oc1c(Cl)cccc1CN1CCN(c2ccccc2)CC1 158022002 OWAXJMGWXDCWCL-UHFFFAOYSA-N 302.805 3.368 10 10 DGCE Cc1ccc(C(=O)NCCc2c[nH]c3cccc(C)c23)c(O)c1O 182375839 HBZIANYXRJPAFJ-UHFFFAOYSA-N 324.380 3.168 10 10 DGCE CCOc1cccc(CN[C@H](C)CN2CCCCCC2)c1O 187569228 WJDPPFNMHOGOLQ-OAHLLOKOSA-N 306.450 3.145 10 10 DGCE C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1O 187768806 WUZTWINAVKGVHD-SECBINFHSA-N 308.284 3.429 10 10 DGCE CCN(CCOC)c1ccc([C@H](C)NC)c(Br)c1 233454661 PSYPESYVGGCYPI-NSHDSACASA-N 315.255 3.202 10 10 DGCE Oc1ccc2c(n1)CCC[C@H]2NCc1c(O)cccc1Cl 264985588 VUHFHVQRPKHIQS-CYBMUJFWSA-N 304.777 3.313 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@H](C)[C@@H](O)c2ccccc2)c1 290183268 FMGAISKWEYJRAR-VEVIJQCQSA-N 301.386 3.174 10 10 DGCE CCC[C@@H](c1cc(OC(F)(F)F)ccc1O)N1CCOCC1 575291669 ALBSBKLMNALSMC-ZDUSSCGKSA-N 319.323 3.464 10 10 DGCE C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)/C=C\c1ccc(O)c(O)c1 588404812 SRBCKDVDFHXUQJ-LRKKUOOWSA-N 301.386 3.291 10 10 DGCE CCc1ccc(/C=C\C(=O)N[C@@H](C)c2cc(OC)ccc2O)o1 588468875 JXPFHXYQLXEVDU-CUZBXDDWSA-N 315.369 3.447 10 10 DGCE Oc1ccc(Br)cc1CNC1C[C@@H]2[C@@H](C1)C2(F)F 693377290 CDMDFAMXWBLYMR-GHMZBOCLSA-N 318.161 3.288 10 10 DGCE CCNCc1ccc(N(C)CCCF)c(Br)c1 716817901 DIQSEMXKAYGUGO-UHFFFAOYSA-N 303.219 3.354 10 10 DGCE C[C@H]1CN(Cc2cc3c(cc2O)CCC3)C[C@@H](C(F)(F)F)O1 744445453 VSNUVRIRHMXFDV-BONVTDFDSA-N 315.335 3.033 10 10 DGCE Cc1cc(F)ccc1CN(C)C(=O)/C=C/c1ccc(O)c(O)c1 754699125 MMJUOVZZIDLBCG-XBXARRHUSA-N 315.344 3.217 10 10 DGCE CCCN(Cc1ncc(COC)s1)c1ccc(CN)cc1 775149367 PTKXYGRTOSBPSF-UHFFFAOYSA-N 305.447 3.165 10 10 DGCE Cc1cc(Cl)cc(CN2CCCC[C@@H]2C2OCCO2)c1O 775674635 HAIFBCGESJTVJS-CQSZACIVSA-N 311.809 3.081 10 10 DGCE CC(C)(C)[C@@H]1CCN(Cc2cc(Cl)c(F)cc2O)C[C@@H]1O 816560690 XMVVMXNXNDFUIL-ABAIWWIYSA-N 315.816 3.414 10 10 DGCE Cc1cnccc1/C=C/C(=O)NCc1ccc2c(c1)CCCN2C 822867518 AHPXRHFAGPKKON-SOFGYWHQSA-N 321.424 3.102 10 10 DGCE Cc1cccc(CN2C[C@H](CC(F)(F)F)O[C@H](C)C2)c1O 827786750 LKMPLEFQFWTQSZ-YPMHNXCESA-N 303.324 3.242 10 10 DGCE CC1(C)Cc2n[nH]cc2CN(Cc2c(O)ccc(Cl)c2F)C1 828013791 KTJXMVPPPABVKR-UHFFFAOYSA-N 323.799 3.492 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCC[C@H]2CN2CCCC2)cc1 835027916 OIUXEHFGWKKCJG-BPJPHKDRSA-N 313.489 3.326 10 10 DGCE Oc1cc2c(cc1CN1CCCC[C@@H]1[C@H]1CCC[C@@H]1O)CCC2 840118732 ZSHYCFPTTYLNJP-QRVBRYPASA-N 315.457 3.396 10 10 DGCE COc1ccc(O)c(CNCc2c(O)cc(C)cc2Cl)c1 840896646 FZHSTPXAWMWPFL-UHFFFAOYSA-N 307.777 3.358 10 10 DGCE COc1cc(Cl)cc(CN2CCO[C@@H](C3CCC3)C2)c1O 840955290 TWNBWJVTFZRIML-OAHLLOKOSA-N 311.809 3.055 10 10 DGCE Oc1ccc(Cl)c(F)c1CN1CCC[C@@H]([C@H]2CCCN2)C1 843045343 NUUXCWMCAZCCRE-BXUZGUMPSA-N 312.816 3.149 10 10 DGCE CCCN(CCC)c1ccc(CNCCN2CCCC2=O)cc1 846076539 UTHPGAVEZCYARW-UHFFFAOYSA-N 317.477 3.025 10 10 DGCE C[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)CCc2ccccc21 846662016 PLMDHOJOEAYHLJ-NSHDSACASA-N 315.344 3.039 10 10 DGCE CC(=O)NCc1ccc(CN[C@@H](C)c2ccc(C)cc2O)cc1 850484610 MMZGXMDPWAENPY-AWEZNQCLSA-N 312.413 3.188 10 10 DGCE C[C@H](N[C@@H](CO)C1CCC1)c1cccc(C(F)(F)F)c1O 850487712 JLANVXBDGOFBPX-ZANVPECISA-N 303.324 3.223 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@@H]3CC(C)(C)OC3(C)C)C2)cc1 850489147 RHUKUEQWUOZKKR-RHSMWYFYSA-N 318.461 3.210 10 10 DGCE Cc1cc(C)c(O)c(CN2CCO[C@@H](CC(F)(F)F)C2)c1 853610582 FDWOMMBQOVVFEH-ZDUSSCGKSA-N 303.324 3.162 10 10 DGCE C[C@@H]1CC[C@H](N[C@H](C)c2cc(Cl)c(Cl)cc2O)CN1 863548551 ZVTBRCOWNHWGRE-BBBLOLIVSA-N 303.233 3.490 10 10 DGCE COc1ccc(C[C@H](C)N(C)C(=O)c2cc(O)cs2)cc1 1118556126 UFPZJNLNVQBOAY-NSHDSACASA-N 305.399 3.166 10 10 DGCE c1ccc(-n2ccc(CCNCc3ccc4c(c3)CCO4)n2)cc1 1461137802 XSTATEMGBGWCBL-UHFFFAOYSA-N 319.408 3.140 10 10 DGCE Cc1cc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)ccn1 1531693862 LXZIWOHFDSCQGG-UHFFFAOYSA-N 309.413 3.262 10 10 DGCE COc1cccc(CNC(=O)/C=C(\C)c2ccccc2C)c1O 1566373866 JDEQTHLTQFNSJY-SDNWHVSQSA-N 311.381 3.429 10 10 DGCE CCc1nnc(N2CCCC2)n1CCCSc1nccs1 1614005692 OQPSQBASMFCQHU-UHFFFAOYSA-N 323.491 3.080 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)c1ccc(F)s1 1627073862 YDVMHADDUVYFPB-UHFFFAOYSA-N 302.330 3.071 10 10 DGCE CSc1ccc(C)c(NC(=O)Cc2ccc(O)c(O)c2)c1 1637255171 JZAYCQYFLQUCLG-UHFFFAOYSA-N 303.383 3.309 10 10 DGCE Cc1cc(Cl)ccc1OCC(=O)NCc1c(O)cccc1F 1652295770 RTJXBZJMPWHLLN-UHFFFAOYSA-N 323.751 3.188 10 10 DGCE c1ccc(C[C@@H]2C[C@H]2NCc2ccc(N3CCOCC3)cc2)cc1 1656529911 PTDWOJQFINZBCY-TZIWHRDSSA-N 322.452 3.244 10 10 DGCE CN(Cc1ccccc1O)c1ccc(Br)cc1CN 1877530029 YYDOCFANBLFQKY-UHFFFAOYSA-N 321.218 3.250 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(CCCCN=[N+]=[N-])C2 1896803629 AXERFQWTJHATQN-MJBXVCDLSA-N 323.441 3.455 10 10 DGCE C[C@H](O)c1ccc(N(Cc2ccccc2)[C@@H](C)CCO)cc1O 1915084578 RIDCAMUPXIBLBE-GJZGRUSLSA-N 315.413 3.223 10 10 DGCE OCc1ccc(N(Cc2ccccc2)[C@@H]2CCOC2)c(F)c1 1915429917 GZXIGQHTEPMQAK-MRXNPFEDSA-N 301.361 3.114 10 10 DGCE CCN[C@H](c1ccccc1O)[C@@H](CC)NC(=O)OC(C)(C)C 1928477520 VVNNBYNBRVEHBQ-UKRRQHHQSA-N 308.422 3.346 10 10 DGCE Cc1cccc(N)c1N[C@H]1CCOC[C@@H]1OCc1ccccc1 1937206946 MHOAMIYRBAFXJH-ROUUACIJSA-N 312.413 3.363 10 10 DGCE [N-]=[N+]=N[C@@H](CO)c1ccc(I)cc1Cl 1951369310 UJEPMBZQKRRWLL-QMMMGPOBSA-N 323.521 3.288 10 10 DGCE CC(C)(C)OC(=O)N[C@@H](CCOc1ccc(N)cc1)C(F)F 1953022476 YFTGLXQPXCZYAA-LBPRGKRZSA-N 316.348 3.196 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](F)C[C@@H]1c1cccc(N)c1O 1953066172 JCXNIUIVRKHDCF-GXFFZTMASA-N 310.369 3.385 10 10 DGCE C[C@@H]1[C@H](Nc2ccccc2N)CCCN1C(=O)OC(C)(C)C 1959365465 GRSGFZQIXICRNO-TZMCWYRMSA-N 305.422 3.469 10 10 DGCE CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1Nc1ccccc1N 1959374641 WSXHSDLHOMNBGW-OCCSQVGLSA-N 305.422 3.374 10 10 DGCE C[C@H]1CCC[C@@H](CNC(=O)OC(C)(C)C)N1CCCN=[N+]=[N-] 1962287064 FEOVKPHTAIXCAP-STQMWFEESA-N 311.430 3.455 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CCN=[N+]=[N-] 1962302789 CDNWUZVKOVPXLO-QWHCGFSZSA-N 309.414 3.161 10 10 DGCE C[C@@H]1CN(CCCCN=[N+]=[N-])C[C@@H]1CNC(=O)OC(C)(C)C 1962303470 HQFNKBCTBQZZSX-OLZOCXBDSA-N 311.430 3.170 10 10 DGCE COC1CC2(C1)C[C@@H]2NCc1cc(Cl)cc(Cl)c1O 1967821461 ATPNIMLIVWHULZ-KHJSKFAYSA-N 302.201 3.356 10 10 DGCE CC1(C)OCCC[C@@H]1NCc1cccc(Br)c1O 1967880813 APWMPALTLVADNO-LBPRGKRZSA-N 314.223 3.202 10 10 DGCE CP(C)(=O)[C@@H]1CC[C@@H](NCc2ccc(F)c(F)c2O)C1 1973924407 LBLQGOZERZVUME-GHMZBOCLSA-N 303.289 3.304 10 10 DGCE CN(C)c1ccc([C@@H](O)CC2(NC(=O)OC(C)(C)C)CC2)cc1 1977960732 WFNXUXKZMQOONO-HNNXBMFYSA-N 320.433 3.233 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1N[C@@H]1CCc2cccc(O)c21 1986712943 OYIWFQGSNCXAPF-BFHYXJOUSA-N 318.417 3.025 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]1([C@@H](N)c1ccccc1O)C2 1992395515 RTYHSFXDNPQKPR-QITLCBANSA-N 318.417 3.182 10 10 DGCE CN(c1ccc2c(c1)CC[C@@H]2N)[C@@H]1CCN(Cc2ccccc2)C1 2012708669 GQORNYZIYISHHR-CTNGQTDRSA-N 321.468 3.343 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@@H](F)C[C@H](F)C2)cc1Br 2062395801 CYFZIGGNVLXEJJ-UTLUCORTSA-N 320.177 3.389 10 10 DGCE Cc1nn(Cc2cccc(C(F)(F)F)c2O)c(N)c1C(F)F 2079683902 YXIAXADILBKWEC-UHFFFAOYSA-N 321.249 3.484 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@](C)(F)[C@@](C)(Br)C2)cc1 2084856241 MHTSCFLNRSVBCM-SWHYSGLUSA-N 316.214 3.442 10 10 DGCE Nc1ccc(COC[C@@H](O)c2ccc(Br)cc2)cc1 2113443775 DZHVJPNUBZEIND-OAHLLOKOSA-N 322.202 3.282 10 10 DGCE COCCN(c1ccc([C@H](C)O)cc1Cl)[C@@H]1CCSC1 2170157690 TVTFRPOVNIBVIS-WCQYABFASA-N 315.866 3.352 10 10 DGCE C[C@@H](N)c1ccc(N(CCO)Cc2ccsc2)c(Cl)c1 2171095167 KQDNNJARYBTHAP-LLVKDONJSA-N 310.850 3.420 10 10 DGCE OCc1ccc(N2CCO[C@@H](c3cccs3)C2)cc1Cl 2171859703 OANVZSDZYDLBAF-CQSZACIVSA-N 309.818 3.472 10 10 DGCE CN[C@H](C)c1ccc(N(C)C[C@H]2OCC[C@H]2F)c(Cl)c1 2179110002 IRDITRKPKPNIPQ-WDBKCZKBSA-N 300.805 3.184 10 10 DGCE Cc1nc(Cl)nc(Cl)c1CCN1CCC[C@@H]1CN=[N+]=[N-] 2179619433 SAPACJMOQLBBBW-SECBINFHSA-N 315.208 3.409 10 10 DGCE Oc1cccc(Cl)c1CNCc1ccnn1C(F)(F)F 2199751511 IJBXBRNOMISDEU-UHFFFAOYSA-N 305.687 3.008 10 10 DGCE O=C(O)[C@@]12CC[C@@H]1CCN2Cc1cc(Cl)cc(Cl)c1O 2201102476 QSBDNLFMVNPWRN-YMTOWFKASA-N 316.184 3.138 10 10 DGCE CN[C@@H](C)c1ccc2c(c1)CCN2C[C@@]1(Cl)CC1(F)F 2205570818 RQBPZOAILNMITM-HZMBPMFUSA-N 300.780 3.346 10 10 DGCE Cc1cc([C@H](C)N)ccc1N1C[C@H]2C[C@H]1CN2Cc1ccccc1 2217380005 GGLAJELLCYMJIJ-DBVUQKKJSA-N 321.468 3.478 10 10 DGCE Brc1cc(CNC2CCC2)ccc1N1CC=CC1 2223535176 LBJRITWVBVLJIU-UHFFFAOYSA-N 307.235 3.467 10 10 DGCE CCN(CC)c1ccc(C=C2N=C(c3ccccc3)NC2=O)cc1 2296665729 WGWSSESAEJNPDP-UHFFFAOYSA-N 319.408 3.450 10 10 DGCE O=C1C(=Cc2ccccn2)SC(=S)N1c1cccc(O)c1 2296765271 FIMNIBCMTUTOPB-UHFFFAOYSA-N 314.391 3.193 10 10 DGCE Cc1cncc(C=CC(=O)N2C[C@@H](C)C(=O)Nc3ccccc32)c1 2302387004 ZVTOWBKICIJPDH-CQSZACIVSA-N 321.380 3.025 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN(Cc2nc(Br)cs2)C1 2303337814 XTOICYNDZXMDSR-QMMMGPOBSA-N 316.228 3.428 10 10 DGCE C[C@H](O)c1ccc(N(C)CCC[C@@H](C)O)cc1Br 2314572922 CXTDENOZDVRBRF-MNOVXSKESA-N 316.239 3.100 10 10 DGCE Cc1ccc(CN2CC[C@@H]3C[C@]3(F)C2)c(O)c1Br 2327603271 OUKXXNQVFCGTOT-RISCZKNCSA-N 314.198 3.397 10 10 DGCE CCCN1N=C(c2ccc(OC)cc2)C(=Cc2ccncc2)C1=O 2332129518 KSTKJHJRCSBHOS-UHFFFAOYSA-N 321.380 3.130 10 10 DGCE C[C@H](O)c1ccc(N2Cc3cccnc3C2)cc1Br 2336973091 HVBJOOZFPLPEQN-JTQLQIEISA-N 319.202 3.418 10 10 DGCE Cc1ccc(/C=C2\C(=O)NN(c3ccc(C)c(C)c3)C2=O)cc1 312711 NZEMHYSUWGJERS-GZTJUZNOSA-N 306.365 3.073 10 10 DGCE CCN1CC[C@@H](CNCc2cc(Cl)cc(Cl)c2O)C1 37644074 XJYGRUUNUPDMPC-JTQLQIEISA-N 303.233 3.130 10 10 DGCE O=S(=O)(Nc1ccc(O)cc1Cl)c1cccc(Cl)c1 85205122 RUFPRRAPUPJJEN-UHFFFAOYSA-N 318.181 3.500 10 10 DGCE C[C@H]1CC[C@H](C)N(C(=O)NCCCSc2nccs2)C1 154577405 MZQJIESXCOELPU-RYUDHWBXSA-N 313.492 3.455 10 10 DGCE Cc1ccc(O)c([C@@H](C)NCCN2CCc3ccccc3C2=O)c1 191621818 KKOBCVXBQHVXQN-OAHLLOKOSA-N 324.424 3.050 10 10 DGCE CN1CCCc2cc(CNCCSC(F)(F)F)ccc21 218214818 YLBBSGHZTHTMSU-UHFFFAOYSA-N 304.381 3.412 10 10 DGCE CSC[C@H](C)N(C)c1ccc(CN)c(Br)c1F 231840629 HMFPRDHMJQRYIZ-QMMMGPOBSA-N 321.259 3.235 10 10 DGCE CN[C@@H](C)CNC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C 261843939 WQBCNDDFABWTEQ-NSHDSACASA-N 319.836 3.085 10 10 DGCE CN(C)c1ccc(CN[C@@H]2CCOC3(CCSCC3)C2)cc1 269355002 SYMLHIWJSLMCII-MRXNPFEDSA-N 320.502 3.287 10 10 DGCE CCOCc1cc(CNCc2c(CC)noc2C)ccc1OC 292935461 JKGMFOPUNFOWQD-UHFFFAOYSA-N 318.417 3.380 10 10 DGCE COc1ccc(N(C)Cc2cc(F)cc(C(C)=O)c2O)cc1 315128797 OZCSSEBYTWFRRS-UHFFFAOYSA-N 303.333 3.379 10 10 DGCE CNCc1ccc(N2CCN(Cc3ccccc3)C[C@@H]2C)cc1 382793302 RDVNJXBYKCIGNP-KRWDZBQOSA-N 309.457 3.117 10 10 DGCE CN(CCCOCc1ccccc1)c1ccc(CN)c(F)c1 383892501 FTYLOWKDCBERTB-UHFFFAOYSA-N 302.393 3.328 10 10 DGCE Oc1cc(Br)ccc1CN[C@@H]1C[C@H]2[C@@H](C1)C2(F)F 691445010 NVJNATZSQFBOJA-JGPRNRPPSA-N 318.161 3.288 10 10 DGCE CCO[C@@H]1CCN(c2ccc([C@H](C)O)cc2Br)C1 701706756 KKTKZWWFGOMBNO-CMPLNLGQSA-N 314.223 3.118 10 10 DGCE Oc1cccc(Br)c1CNOCc1ccccc1 706872035 WNDWQAJUMOXISV-UHFFFAOYSA-N 308.175 3.376 10 10 DGCE CC1(C)C[C@H]1CNCc1cc(Br)cc(F)c1O 715745884 NUQXNAXJDBUDOM-VIFPVBQESA-N 302.187 3.430 10 10 DGCE CN(C[C@@H]1CCSC1)c1ccc(CN)cc1C(F)(F)F 718284309 PDPPIWRLTWMCBN-NSHDSACASA-N 304.381 3.353 10 10 DGCE CN(C[C@H]1CC=CCC1)C(=O)NCc1ccc(N(C)C)c(F)c1 753152984 YSLDWMSRADSQAS-AWEZNQCLSA-N 319.424 3.389 10 10 DGCE COC1CCC(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)CC1 756643589 WCTFVWDAROVQMI-DCBWTQNWSA-N 308.378 3.156 10 10 DGCE COc1cccc(O)c1CN1C[C@H](C)O[C@@H](c2ccccc2)C1 769107124 UDNLVSKWOBVIRU-IFXJQAMLSA-N 313.397 3.363 10 10 DGCE COC(=O)c1ccc(CNCc2c(O)cccc2Cl)cc1 809733469 XLFRALCPXXVSNG-UHFFFAOYSA-N 305.761 3.122 10 10 DGCE Cc1cc(C(=O)OC[C@H]2CC2(F)F)c(C)n1-c1ccccn1 816421226 KASNMZRGFAIGPW-GFCCVEGCSA-N 306.312 3.301 10 10 DGCE C[C@@H](NCCCNCc1cccnc1)c1cc(Cl)ccc1O 817941310 RZPURIDVKJTJFP-CYBMUJFWSA-N 319.836 3.271 10 10 DGCE C[C@H](NCc1ccc(N(C)Cc2cccs2)cc1)[C@@H](C)CO 823924089 RCPDXXUIXUZRSM-GJZGRUSLSA-N 318.486 3.491 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@H]2c3ccccc3C[C@@H]2O)cc1 848568144 ZKEATWMGWUGNCX-XHHZUUQWSA-N 308.425 3.014 10 10 DGCE CCN(CC)c1ccc(CN(C)C[C@@H](OC)[C@@H]2CCOC2)cc1 851717016 UKHJWWQRUFHZGV-IEBWSBKVSA-N 320.477 3.016 10 10 DGCE CC1(C)CN(C(=O)c2cc(O)cs2)CCc2ccccc21 855348823 XXNHCLILQHFRLJ-UHFFFAOYSA-N 301.411 3.430 10 10 DGCE C[C@@H](NCc1cc(F)c(N(C)C)cc1F)[C@H](O)c1ccccc1 858164688 CTMRTTUJJPIHQX-XIKOKIGWSA-N 320.383 3.243 10 10 DGCE CC[C@H](N[C@@H]1CC=C(C(=O)OC)C1)c1cccc(Cl)c1O 858471148 BMZVUXAIWIOJML-RISCZKNCSA-N 309.793 3.348 10 10 DGCE CN(C)c1cc(F)c(CN[C@@H](C2CCC2)[C@H]2CCOC2)cc1F 864053445 KQFSYKHWRJZIEW-UGSOOPFHSA-N 324.415 3.326 10 10 DGCE Fc1cc(CN[C@H]2CCCC[C@H]2F)ccc1N1CCOCC1 865698948 JBSRHPICJQSBEA-ZBFHGGJFSA-N 310.388 3.033 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)C1(C(C)C)CC1 866443250 ZPFSDVYSVMKDJB-UHFFFAOYSA-N 324.490 3.093 10 10 DGCE C[C@@H](NC(=O)NCC(C)(C)C(C)(F)F)c1ccccc1O 869071743 NZMSCFXPUATECM-SNVBAGLBSA-N 300.349 3.434 10 10 DGCE Cc1cc(C)c(OCC(=O)N2Cc3cccc(O)c3C2)c(C)c1 871199762 UGLCCKYCMRMTDC-UHFFFAOYSA-N 311.381 3.239 10 10 DGCE CCN(CC)[C@@H](C(=O)N1Cc2cccc(O)c2C1)c1ccccc1 871202255 BHWSYESQGGFXRL-LJQANCHMSA-N 324.424 3.318 10 10 DGCE C[C@@]1(CNCc2ccc(F)c(F)c2O)OCCc2ccccc21 895640498 UXHMAGGFHVCUEH-SFHVURJKSA-N 319.351 3.248 10 10 DGCE CO[C@]1(CN[C@@H](C)c2ccc(Cl)cc2O)CCSC1 903314382 MTEAMWQAPOSPSV-HZMBPMFUSA-N 301.839 3.218 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)[C@H]1CCOC2(CCCC2)C1 911899294 VOQMTPBTHJIKFC-LBPRGKRZSA-N 323.820 3.401 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)c1onc2ccccc12 1165508732 VNDFKTUBLIDQAW-UHFFFAOYSA-N 302.717 3.117 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCCCC1CC1 1230194388 AIJVKGIGBHKTQL-OAHLLOKOSA-N 317.477 3.481 10 10 DGCE CC(=O)c1ccc(C(=O)NCc2cc(Cl)ccc2O)cc1C 1300396595 ZKBWCRJYDMBSOC-UHFFFAOYSA-N 317.772 3.487 10 10 DGCE COc1cc(Cl)cc(CN[C@@H]2CCS[C@@H](C)C2)c1O 1343288368 UHDJSXKTTHWPMH-JOYOIKCWSA-N 301.839 3.428 10 10 DGCE Cc1sc2ncnc(NCc3c(O)cccc3O)c2c1C 1472886732 BZJIWXXEQOBKNA-UHFFFAOYSA-N 301.371 3.331 10 10 DGCE CN(C)c1ccc(CN2CCOc3cc(F)ccc3C2)cc1 1560041002 FKXRELNAOXNHJO-UHFFFAOYSA-N 300.377 3.286 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCCC1CCC1 1564946679 UFMIYCBOXYMONK-OAHLLOKOSA-N 317.477 3.481 10 10 DGCE C[C@@H](C(=O)NCc1ccc2cccnc2c1O)c1cccc(F)c1 1627070082 WAPGFYNJFVTHRS-GFCCVEGCSA-N 324.355 3.499 10 10 DGCE O=Cc1ccc(CC(=O)NCc2c(O)ccc3ccccc23)cc1 1639387138 FMPHSJSEMVHBPH-UHFFFAOYSA-N 319.360 3.217 10 10 DGCE Cc1nc2ccc(Cl)cn2c1NC(=O)c1cc(O)cs1 1641480062 QBEKDSZAXRUVPS-UHFFFAOYSA-N 307.762 3.316 10 10 DGCE CCN(C[C@@H]1CC[C@H](C2CC2)O1)c1ccc(OC)c(OC)c1 1653749376 LZXPKRLTQKXXLE-JKSUJKDBSA-N 305.418 3.488 10 10 DGCE COc1ccc(CNC(=O)NCC[C@H]2CCCC2(C)C)c(O)c1 1774162869 AFYVNYGUMPOMCX-CQSZACIVSA-N 320.433 3.416 10 10 DGCE CCN(CC)c1ccc(CNCCC(=O)OCC(C)C)cc1 1857869807 VKNOQZTWUVAVKS-UHFFFAOYSA-N 306.450 3.212 10 10 DGCE Cc1c(C(=O)NCc2cccnc2)n(C)c2cc(Cl)ccc12 1858178288 KKQIDNGEQVWLDF-UHFFFAOYSA-N 313.788 3.465 10 10 DGCE CCC1=NN(c2ccccn2)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1 1865680166 AIHIHFSWMYWTLV-SDNWHVSQSA-N 322.324 3.186 10 10 DGCE CC1(O)[C@H]2C[C@H]1CN(c1ccc(OCc3ccccc3)cc1)C2 1899885778 VPENVAWMRUYIRN-IRXDYDNUSA-N 309.409 3.473 10 10 DGCE O=C(O)C=Cc1ccc(N2CC[C@H](F)C2)cc1Br 1912088999 IHPBWRSESQKKAJ-JTQLQIEISA-N 314.154 3.095 10 10 DGCE COc1cccc(NC(=O)OC(C)(C)C)c1[C@H](CO)N=[N+]=[N-] 1951356337 PNXIGVYSLZBUSR-JTQLQIEISA-N 308.338 3.386 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](Nc3ccccc3N)[C@H]21 1959364790 GGYYUHGJNHJDLW-UGFHNGPFSA-N 303.406 3.079 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]2CC[C@@H]1N2CCCN=[N+]=[N-] 1962298326 DIJGPCRBOZJPLQ-XQQFMLRXSA-N 309.414 3.064 10 10 DGCE Cc1cccc(O)c1CN[C@@]12C[C@@H]1CN(Cc1ccccc1)C2 1976896839 PNMRWWBJQGBKHM-YLJYHZDGSA-N 308.425 3.065 10 10 DGCE C[C@H](N(CCc1ccc(N)cc1)Cc1ccccc1)C(C)(C)O 1980735062 YKQWXJTZHMUYJF-INIZCTEOSA-N 312.457 3.473 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CN(CCN=[N+]=[N-])Cc2ccccc21 1982248087 PNNJIHIHPUEQEL-CQSZACIVSA-N 317.393 3.378 10 10 DGCE C[C@@H](O)CN(Cc1ccccc1)c1ccc2c(c1)CCC[C@H]2O 1986598752 AKFCMLSYWSFWDF-FOIQADDNSA-N 311.425 3.444 10 10 DGCE Cc1ccc(CNC[C@H](C)CN(C)C(=O)OC(C)(C)C)c(O)c1 1994458001 LYHJLNUAQDHMEP-AWEZNQCLSA-N 322.449 3.293 10 10 DGCE CC[C@]1(C)CCN1c1ccc(CN)c(Br)c1F 2007186363 TVVRQTJUYYNKKQ-CYBMUJFWSA-N 301.203 3.426 10 10 DGCE CN(C[C@H]1CC1(F)F)c1ccc(CN)c(Br)c1F 2036086725 DMALOHKLTDRORW-MRVPVSSYSA-N 323.156 3.138 10 10 DGCE CN(C)Cc1cc(C2CCCC2)nn1Cc1c(O)cccc1F 2070040416 JHVGGZMWEAYNFM-UHFFFAOYSA-N 317.408 3.495 10 10 DGCE Cc1cc(N(C)C[C@@]2(Br)CC2(F)F)ccc1CO 2082516522 DHQZXEZQVHYNIO-LBPRGKRZSA-N 320.177 3.096 10 10 DGCE CCNCc1ccc(N2CC=C[C@@H]2CF)c(Br)c1 2082873198 IFQMXIQMEIJRKX-GFCCVEGCSA-N 313.214 3.273 10 10 DGCE COc1cccc(NCc2ccc(O)cc2O)c1Br 2108998367 UFMGEWPDICKHLZ-UHFFFAOYSA-N 324.174 3.481 10 10 DGCE CN(CC(F)(F)C(F)(F)F)c1ccc(CN)cc1Cl 2113826025 NIZSACLARQSQOP-UHFFFAOYSA-N 302.674 3.433 10 10 DGCE C[C@@H](O)c1ccc(N(C)CCn2cccc2)cc1Br 2115196281 AGQDJHMDHNNRBP-GFCCVEGCSA-N 323.234 3.440 10 10 DGCE COC[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@H]1C 2118641883 ZJQRHWOWLUBOHX-MWLCHTKSSA-N 304.217 3.413 10 10 DGCE COc1cc(Cl)cc(CN[C@@H](CF)C(F)(F)F)c1O 2128708494 VFMKAQPOMYXEHD-VIFPVBQESA-N 301.667 3.044 10 10 DGCE Oc1ccc(CNCc2ccsc2C(F)(F)F)c(O)c1 2157653524 SJKNVKQBUQQQOG-UHFFFAOYSA-N 303.305 3.468 10 10 DGCE CN1CCc2cc([C@H](O)c3cnc(Cl)c(Cl)c3)ccc21 2163071167 MCYFORQTNRFNNH-AWEZNQCLSA-N 309.196 3.462 10 10 DGCE CNCc1ccc(N(C)Cc2cc(Cl)n(C)n2)cc1Cl 2166507648 PATXKSMVBMBHMN-UHFFFAOYSA-N 313.232 3.083 10 10 DGCE OCc1ccc(N2CCC[C@@H](OC(F)(F)F)C2)c(Cl)c1 2238896375 IANXLLNWBTXIMO-SNVBAGLBSA-N 309.715 3.338 10 10 DGCE CSc1ncc(CNCc2cc(F)c(F)cc2N)s1 2271368805 ZVJYEQFGHBQWBS-UHFFFAOYSA-N 301.387 3.015 10 10 DGCE O=C1NC(=S)C(=Cc2cc(Br)ccc2O)S1 2293116112 LQDAZUXJRFEYTB-UHFFFAOYSA-N 316.201 3.279 10 10 DGCE O=C1NC(=S)SC1=Cc1ccc(OC(F)F)c(Cl)c1 2297509340 BDJTXVPNPJGXJE-UHFFFAOYSA-N 321.757 3.430 10 10 DGCE Cc1cccnc1C=CC(=O)N(C)Cc1ccc(N(C)C)cc1 2308836498 MFOBOEFESXIEQG-UHFFFAOYSA-N 309.413 3.128 10 10 DGCE O=C1C(=Cc2cccc(F)c2)SC(=S)N1C[C@@H]1CCCO1 2323744746 BJJPAXMMXXTKMA-LBPRGKRZSA-N 323.414 3.206 10 10 DGCE Cc1ccc(CN2CCCC(=O)[C@H]2C)c(O)c1Br 2327542102 KOHRKWMQYSGRIC-SNVBAGLBSA-N 312.207 3.017 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@H]1C[C@@H]2C[C@@H]2CO1 2331058769 TXLPYTFZWBTAFV-MKPLZMMCSA-N 302.201 3.214 10 10 DGCE CCCOc1ccc(C=C2C(=O)N(C)N=C2C)cc1OCC 2332113740 DEIWKRJJMBKTAH-UHFFFAOYSA-N 302.374 3.105 10 10 DGCE CC(C)(C)[C@H]1C[C@](Sc2nccs2)(C(=O)O)CCO1 2351991106 OFNCGMMYHDADKA-RNCFNFMXSA-N 301.433 3.284 10 10 DGCE CS[C@@H]1CC[C@H]1NCc1cc(OC(F)(F)F)ccc1O 2361044193 VIRWSPHZGGLYQB-ZYHUDNBSSA-N 307.337 3.274 10 10 DGCE CCNCc1ccc(N2CC[C@H](SC(F)F)C2)c(F)c1 2365713578 ZAIACDMGLQAVKS-NSHDSACASA-N 304.381 3.470 10 10 DGCE CCN[C@@H]1CCN(c2cc(Cl)c(OC)cc2OC)C[C@@H]1C 49712006 ZLPYZPINANEQDW-WCQYABFASA-N 312.841 3.182 10 10 DGCE Cc1ccc(SC[C@H](O)COc2ccc(N)cc2)c(C)c1 51328293 GKKAITRXZCOHJN-OAHLLOKOSA-N 303.427 3.418 10 10 DGCE CN[C@@H](C)c1ccc(N2CCC(CN(C)C)CC2)c(Cl)c1 61697259 UHKYDZDQYWVOJW-ZDUSSCGKSA-N 309.885 3.398 10 10 DGCE CCCNCc1cc(F)c(N2CCSC[C@@H]2C)c(F)c1 70220696 SZGZKAUADRXLTL-NSHDSACASA-N 300.418 3.406 10 10 DGCE CCCC[C@]1(C)CN(CCCN)c2cc(OC)c(OC)cc2N1 75280797 OKDWIRHLWYXYRO-GOSISDBHSA-N 321.465 3.233 10 10 DGCE CC(C)(C)c1ccc(O)c([C@H]2N[C@@H](C(=O)O)C(C)(C)S2)c1 83236907 DFICLIBGURZCGJ-STQMWFEESA-N 309.431 3.257 10 10 DGCE CC[C@H](N)c1c(O)cc(Br)cc1Br 95706271 RDBFXCHHNWJRMO-ZETCQYMHSA-N 309.001 3.327 10 10 DGCE CNCc1ccc(N2CC[C@@]3(O)CCCC[C@@H]3C2)c(Cl)c1 164170493 ZJWQKWRFLFXLCS-PBHICJAKSA-N 308.853 3.191 10 10 DGCE Nc1ccc(CC(=O)Cc2sccc2Br)cc1 166820695 LKKPDJNKDZJXDY-UHFFFAOYSA-N 310.216 3.447 10 10 DGCE Cc1ccccc1/C=C/C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 186435887 YFCSQRXVCKEWKW-QSYFUGGGSA-N 311.381 3.167 10 10 DGCE Cc1cccc2ccc(/C=C3\SC(=S)N(C)C3=O)nc12 206401480 FZWYLBDYKZBUAS-WQLSENKSSA-N 300.408 3.374 10 10 DGCE Cc1cccc(CN[C@H](CNC(=O)OC(C)(C)C)C(C)C)c1O 227773641 PLHFIICNUACOGS-OAHLLOKOSA-N 322.449 3.340 10 10 DGCE C[C@H](N)c1ccc(N2CC[C@H]3[C@H](CCCN3C)C2)cc1Cl 251520125 KTAQKCFMVDNBRZ-AHIWAGSCSA-N 307.869 3.280 10 10 DGCE CCN(C(=O)/C=C\c1cnn(-c2ccccc2)c1)c1ccncc1 255006735 WMKQLRQBJPOWNN-HJWRWDBZSA-N 318.380 3.334 10 10 DGCE Cc1ccc([C@@H](C)NC/C=C\CNC(=O)OC(C)(C)C)c(O)c1 309694440 OSBXRNNWVHCJNZ-LMVHVUTASA-N 320.433 3.432 10 10 DGCE C[C@@H]1CCN(c2ccc(CN)c(C(F)(F)F)c2)CCS1 379514256 UAYCDNIEFPVEEY-SNVBAGLBSA-N 304.381 3.496 10 10 DGCE Oc1ccc(Br)cc1CN1CC(Cc2ccco2)C1 529648714 HYUYANOXKRBJOP-UHFFFAOYSA-N 322.202 3.422 10 10 DGCE Cc1cccnc1/C=C\C(=O)NCc1ccc2c(c1)CCCN2C 588452554 IURMZUODVOSFIW-NTMALXAHSA-N 321.424 3.102 10 10 DGCE CC[C@H](NCc1ccc(Br)cc1O)c1ncc[nH]1 691456833 WFQRZLAAPGDFAI-NSHDSACASA-N 310.195 3.119 10 10 DGCE CN1C[C@H](NCc2cc(Cl)cc(Cl)c2O)CC1(C)C 694098491 NBMIRDSFFOXAIG-LLVKDONJSA-N 303.233 3.271 10 10 DGCE c1cc(N2CCCC2)ccc1CNC1CCC2(CC1)OCCO2 715708608 JMIBOMSVZIPNLJ-UHFFFAOYSA-N 316.445 3.062 10 10 DGCE COC[C@H](C)[C@H](C)NCc1cc(Br)cc(F)c1O 715745303 LUJNTDYCNFXZNT-IUCAKERBSA-N 320.202 3.054 10 10 DGCE C[C@@]1(CNCc2cc(Br)cc(F)c2O)CC1(F)F 715823839 ABOFDBWBUSXFPV-NSHDSACASA-N 324.140 3.429 10 10 DGCE Cc1cc(CO)ccc1N(CC(F)(F)F)CC(F)(F)F 719463877 JAEJNQBCFHOZHJ-UHFFFAOYSA-N 301.230 3.418 10 10 DGCE CCn1c(/C(Cl)=C/c2cn(C)nn2)nc2cc(F)ccc21 741468599 WNERGABKGWKVNA-XFFZJAGNSA-N 305.744 3.061 10 10 DGCE CC[C@@H](CNCc1ccc(N2CCCCC2)cc1)CC(=O)O 756307450 HPNUTIGYJOTHRT-OAHLLOKOSA-N 304.434 3.267 10 10 DGCE Cc1cc(C(=O)Nc2cnn[nH]2)c(C)n1-c1cccc(Cl)c1 789932081 PICPRLNQGMRUAH-UHFFFAOYSA-N 315.764 3.118 10 10 DGCE COc1cc(Cl)cc(CN2CC[C@@H](c3ccccn3)C2)c1O 798963652 IIXDGEZXWCZTNT-GFCCVEGCSA-N 318.804 3.439 10 10 DGCE CC(C)(C)CC(=O)NCc1cc(Br)ccc1O 804737968 XNPZSZOIZBGQNW-UHFFFAOYSA-N 300.196 3.207 10 10 DGCE Cc1ccc(O)c(CN[C@@H](C)c2ncc(Br)cn2)c1 814301681 BHGPXEMTEMWXNZ-JTQLQIEISA-N 322.206 3.104 10 10 DGCE C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)CC(F)(F)F 823587443 MPMPYQDSFIKMJK-MRVPVSSYSA-N 316.283 3.167 10 10 DGCE CCCN(c1ccc(CN)cc1)[C@H](COC)CC1CCOCC1 825710691 YEXLBFMBDSTZQT-IBGZPJMESA-N 320.477 3.193 10 10 DGCE Oc1ccccc1CN(CCC[C@H]1CCOC1)C[C@@H]1CCCO1 828062139 BYIDBXQDPYGAFE-WMZOPIPTSA-N 319.445 3.190 10 10 DGCE CC[C@H]1CN(CC)CCN1C/C=C/c1ccc(N(C)C)cc1 835054956 OMMYGPAUZARBMF-DVBCCOPCSA-N 301.478 3.182 10 10 DGCE CCCN(CCC)c1ccc(CNC[C@@]2(C)CCC(=O)N2)cc1 835061775 OBZIOKDTNPDMKY-LJQANCHMSA-N 317.477 3.071 10 10 DGCE C[C@H](NCC1(O)Cc2ccccc2C1)c1ccc(Cl)cc1O 841753627 FLOSWRSVHMYNFR-LBPRGKRZSA-N 317.816 3.226 10 10 DGCE CCN(C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[C@H]1CCCOC1 845126037 UQGDRMZWYDTNTF-YOEHRIQHSA-N 319.449 3.024 10 10 DGCE O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@]3(C2)CC3(F)F)c1O 846115833 BWRXTZJUCWTAQN-GFCCVEGCSA-N 318.707 3.185 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)c1scnc1C1CC1 846474170 RREHZPZGPSMMFG-UHFFFAOYSA-N 308.790 3.310 10 10 DGCE COc1cc(Br)cc([C@H](C)NCCCF)c1O 848536430 RWYAMRTYBJNUCJ-QMMMGPOBSA-N 306.175 3.174 10 10 DGCE COc1ccc(N2CC[C@H](Nc3ncccc3Cl)C2)cc1 853758806 KRWRSNRWSMAWBA-LBPRGKRZSA-N 303.793 3.434 10 10 DGCE C[C@H](NC(=O)N[C@@H](C)c1ccns1)c1ccc(N(C)C)cc1 858369797 XWWBFNSPLMSTGX-RYUDHWBXSA-N 318.446 3.331 10 10 DGCE COC(=O)C1C[C@H](C)N(Cc2ccc(N(C)C)c(C)c2)[C@@H](C)C1 860189863 MOFXPKJUPSSTBM-GJZGRUSLSA-N 318.461 3.223 10 10 DGCE C[C@@H]1O[C@H](C)CN(Cc2c(O)cccc2Br)[C@@H]1C 862337550 WYVPKAQWTFZCIK-MXWKQRLJSA-N 314.223 3.152 10 10 DGCE COC(=O)C1=CC[C@@H](NCc2ccc(N3CCCCC3)cc2)C1 862464745 HMRHDBFQTHVMSY-QGZVFWFLSA-N 314.429 3.028 10 10 DGCE CCN(C)c1ccc([C@H](C)N[C@@H]2[C@@H]3C[C@H]4[C@H](CO[C@H]42)C3)cc1 866444832 KORJKWXVXNENAP-JAVISRFCSA-N 300.446 3.217 10 10 DGCE CC(C)COc1ccccc1NC[C@H](O)C[C@](C)(O)C1CC1 872212466 GXYSXVZUJZUNSW-QAPCUYQASA-N 307.434 3.045 10 10 DGCE CSc1cc(C(=O)NCc2cc(C)ccc2O)ccc1F 1301046815 LYGRURNIGZAAEZ-UHFFFAOYSA-N 305.374 3.492 10 10 DGCE CO[C@]1(CN[C@H]2C[C@H](C)c3c(C)ccc(O)c32)CCSC1 1350636499 PPBBRLGHFGBJLF-DCGLDWPTSA-N 307.459 3.361 10 10 DGCE CC[C@H](C)n1nccc1C(=O)NCc1ccc2cccnc2c1O 1352303144 BWSQQJPYIIMROF-LBPRGKRZSA-N 324.384 3.038 10 10 DGCE C[C@H](NC(=O)c1cc(O)cs1)c1cccc(-n2cccn2)c1 1465446458 IJSGCEWPAVJBDA-NSHDSACASA-N 313.382 3.130 10 10 DGCE COc1ncc(/C=C\C(=O)N2CC[C@@H](C)c3cccc(C)c32)cn1 1534104861 NSRRWJLMQUTYDI-MEJMFZKBSA-N 323.396 3.347 10 10 DGCE O=C([C@@H]1CCC=CO1)N(Cc1ccco1)Cc1ccccc1O 1545496439 LTTCPJMYSVIPAK-KRWDZBQOSA-N 313.353 3.207 10 10 DGCE CCc1cccc(N(C)C(=O)c2c[nH]nc2-c2cccnc2)c1 1629430082 LBYINQXPYZAUIY-UHFFFAOYSA-N 306.369 3.311 10 10 DGCE CN(C(=O)c1cc(O)cs1)[C@@H](c1ccccc1)c1ncc[nH]1 1636669450 ZJZSXFGXZPYAHA-AWEZNQCLSA-N 313.382 3.038 10 10 DGCE Cc1ccc([C@H](C)C(=O)NCc2ccc3cccnc3c2O)o1 1639621843 WABQGXCDSTWBBK-LBPRGKRZSA-N 310.353 3.262 10 10 DGCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H](C)C2CC2)c1 1641695758 VSFPAPDYKFAXHP-ZDUSSCGKSA-N 310.397 3.435 10 10 DGCE Oc1ccc(Br)cc1CNC[C@H](F)C(F)(F)F 1876099689 IBVYMFDUDGULMJ-VIFPVBQESA-N 316.092 3.145 10 10 DGCE Cc1c(I)cc(CN=[N+]=[N-])cc1C(=O)O 1887515272 VKIXAZNYTCISDI-UHFFFAOYSA-N 317.086 3.108 10 10 DGCE OC1(C(F)(F)F)CN(c2ccc(OCc3ccccc3)cc2)C1 1899871171 UQUJIARORKDTIX-UHFFFAOYSA-N 323.314 3.379 10 10 DGCE CCOP(=O)(CCN1CCC(CN=[N+]=[N-])CC1)OCC 1912195764 QTHCQKBUIBOSRA-UHFFFAOYSA-N 304.331 3.275 10 10 DGCE CN[C@H](c1ccccc1O)[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C 1928466910 GIQUOFKXFFKOKA-HUBLWGQQSA-N 308.422 3.202 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H](F)[C@@H]1COc1ccc(N)cc1 1953062118 CAELJGPXZKXTGS-GJZGRUSLSA-N 324.396 3.385 10 10 DGCE C[C@H]1C[C@@H](CNc2ccc(N)cc2)CN1C(=O)OC(C)(C)C 1959380987 PVZWVVYJTVUEIP-STQMWFEESA-N 305.422 3.326 10 10 DGCE COc1ccc(Br)c(CNC2(C(F)F)CC2)c1O 1972460881 KEOCZQPQAXSNNL-UHFFFAOYSA-N 322.149 3.051 10 10 DGCE CCOC(=O)c1cnn([C@@H](C)c2cccc(C)c2O)c1Cl 2070386606 OTFPDRHMMLHGCS-JTQLQIEISA-N 308.765 3.337 10 10 DGCE Cc1ncc(CCNCc2cc(Cl)cc(Cl)c2O)o1 2097957924 DGDAHSGBMUUKDR-UHFFFAOYSA-N 301.173 3.328 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@H]1[C@H]2OCCC[C@H]12 2119927224 YYUAXQJIBBGPBK-GYSYKLTISA-N 302.201 3.214 10 10 DGCE CCOC(=O)C1CCC(Sc2ncc([C@@H](C)N)s2)CC1 2159807085 GGEGUCAZUKVPLD-KPPDAEKUSA-N 314.476 3.377 10 10 DGCE C[C@@H](c1ccc(Cl)cc1O)N1CC[S@](=O)C(C)(C)CC1 2203336547 NAHSVUUPSDEECJ-YBTHPKLGSA-N 315.866 3.340 10 10 DGCE CN(C[C@H](F)C1CCC1)c1ccc(CN)c(Br)c1 2220910765 VSOLLMYUZBHRGN-AWEZNQCLSA-N 315.230 3.482 10 10 DGCE COc1cccc(CNC(=O)CC=Cc2ccc(F)cc2)c1O 2301549624 VIVLRMJTRIFWBZ-UHFFFAOYSA-N 315.344 3.260 10 10 DGCE COc1ccc(O)c(CNC(=O)C=Cc2ccc(Cl)cc2)c1 2301549770 UDLAXZAMNKXRFB-UHFFFAOYSA-N 317.772 3.384 10 10 DGCE CS[C@@H]1CC[C@@H]1N(C)c1ccc(CN)cc1Br 2307726716 IDUGNHBSDIQXBJ-QWHCGFSZSA-N 315.280 3.238 10 10 DGCE CC(C)C[C@@H]1CCCN(C(=O)C=Cc2ccc(O)c(O)c2)C1 2308002393 ZNJAPRMTMOGTQX-HNNXBMFYSA-N 303.402 3.396 10 10 DGCE CCCN1CCc2cc(O)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3 11665 HLRBSTGXOFUEHW-OAHLLOKOSA-N 311.381 3.336 10 10 DGCE biogenic Cc1ccc(/C=C2/SC(N3C[C@H](C)O[C@H](C)C3)=NC2=O)cc1 17949653 NWXXQLZGOPJPFQ-BHSJKCHDSA-N 316.426 3.075 10 10 DGCE CC[C@@H](Nc1cccc(S(C)(=O)=O)c1)c1ccccc1O 37763195 VDKVERPPWQXKCU-OAHLLOKOSA-N 305.399 3.359 10 10 DGCE COc1ccccc1SCC(=O)N(C)c1ccc(N)cc1 41030543 YUCFOHFSRFDZOB-UHFFFAOYSA-N 302.399 3.033 10 10 DGCE CN(Cc1ccc(Cl)cc1)c1cc2c(cc1N)OCCO2 48879966 QJGYBISULBZOMW-UHFFFAOYSA-N 304.777 3.330 10 10 DGCE Cc1ccn2c(/N=N\c3ccccc3C(=O)O)c(C(=O)O)nc2c1 71583567 QTRNPJSRZRGISD-HNENSFHCSA-N 324.296 3.455 10 10 DGCE CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/Nc1ccccc1O 101148324 OSMFIEKAMCURGW-RVDMUPIBSA-N 307.353 3.419 10 10 DGCE NC1C[C@@H]2CC[C@@H](C1)N2Cc1cc(Cl)cc(Cl)c1O 104009717 JEIUQMWNRIUCKQ-RYUDHWBXSA-N 301.217 3.153 10 10 DGCE Nc1ccc(OCCNc2cccc(Cl)c2[N+](=O)[O-])cc1 126816091 XNVVSGLFULFJOR-UHFFFAOYSA-N 307.737 3.321 10 10 DGCE CCCOc1ccc([C@H]2NC(=O)c3cccc(C)c3N2)c(O)c1 131079654 XTUOVLDDJWSAFF-QGZVFWFLSA-N 312.369 3.344 10 10 DGCE CC[C@@H]1CO[C@@H](C)CN1c1ccc(CN)cc1C(F)(F)F 163688314 OXXILLRFZVDSFT-CMPLNLGQSA-N 302.340 3.168 10 10 DGCE COc1cc(CN2CCC([C@@H](C)O)CC2)c(O)c(C(C)(C)C)c1 164372709 QXRVHAGVDJBDDC-CYBMUJFWSA-N 321.461 3.291 10 10 DGCE C[C@@H](NCc1ccc(Cn2ccnc2)cc1)c1ccccc1O 183411670 UWCXPWQGFYYTAR-OAHLLOKOSA-N 307.397 3.488 10 10 DGCE CCO[C@H]1C[C@@H]1COC(=O)c1cc(C)n(-c2ccccn2)c1C 193219068 WSRAZOPMHQSUQZ-ZBFHGGJFSA-N 314.385 3.071 10 10 DGCE CC(C)OCCN(C)Cc1cccc(Br)c1O 211571080 KGPXMIFKQWLSPV-UHFFFAOYSA-N 302.212 3.012 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H]([C@@H](N)c2ccccc2O)C1 259519654 AEBXONTWFNHPLY-SWLSCSKDSA-N 306.406 3.039 10 10 DGCE C[C@@H](NCc1ccc2c(c1)CCO2)[C@@H](C)NC(=O)OC(C)(C)C 381844983 YVSNKPDZIYIQGH-CHWSQXEVSA-N 320.433 3.013 10 10 DGCE Oc1ccc(F)cc1CNC[C@@H]1CCCN1Cc1ccccc1 390594605 RUSNMSLZZKKCQJ-SFHVURJKSA-N 314.404 3.286 10 10 DGCE C[C@@H]1COCCN([C@@H](C)c2cc(Br)ccc2O)C1 399495174 JFLFEDOKDCOPIG-QWRGUYRKSA-N 314.223 3.184 10 10 DGCE Cc1ccc(/C=C\C(=O)N2C[C@@H](C)C(=O)Nc3ccccc32)cn1 493466470 RVRNLGUTKHFXOQ-ASCRHOAZSA-N 321.380 3.025 10 10 DGCE C[C@@H](NC[C@H]1c2ccccc2C(=O)N1C)c1cc(F)ccc1O 528010010 ZUGJJOZIWDYHAA-BZNIZROVSA-N 314.360 3.009 10 10 DGCE CCN(Cc1ccc(Br)cc1O)[C@@H](C)COC 691778321 FHWNVRCXKYFSQS-JTQLQIEISA-N 302.212 3.012 10 10 DGCE CC[C@H](c1cc(Br)ccc1O)N1C[C@H](N)C[C@H]1C 702642872 HJBIJQRTYOMDAO-IRUJWGPZSA-N 313.239 3.027 10 10 DGCE CO[C@](C)(CNc1ccc(N)cc1)COCc1ccccc1 702834568 KHYQHOMFZDXKBD-GOSISDBHSA-N 300.402 3.303 10 10 DGCE COc1ccc2c(c1)CCN2Cc1ccc(-n2ccnc2)cc1 725796629 BXCVYRBPIGEBQQ-UHFFFAOYSA-N 305.381 3.444 10 10 DGCE CCN(CC)c1ccc(CN=c2cc[nH]cc2[N+](=O)[O-])cc1F 731351867 DVGMYRGSXSENET-UHFFFAOYSA-N 318.352 3.009 10 10 DGCE Cc1cnc(CN(C)Cc2ccc(N3CCCCC3)cc2)nc1 760807589 FQIHGNGFAZZDIF-UHFFFAOYSA-N 310.445 3.407 10 10 DGCE C[C@H](NCc1ccn(C)n1)c1ccc(N2CCCCC2)c(F)c1 773128168 BGBNFLNUVYTRDJ-AWEZNQCLSA-N 316.424 3.400 10 10 DGCE c1csc(SCCCNCc2ccc(-c3cc[nH]n3)o2)n1 788521432 JHUATCYLDGULSB-UHFFFAOYSA-N 320.443 3.398 10 10 DGCE COc1cc(NCc2cc3c(cc2O)OCO3)c(C)c(OC)c1 800291328 PRZFXJGJJHZZKP-UHFFFAOYSA-N 317.341 3.059 10 10 DGCE COCC[C@@H](COC)N[C@H](C)c1cc(Cl)c(Cl)cc1O 810258025 XZXNVVJQFKYACQ-ZJUUUORDSA-N 322.232 3.401 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 835055535 VTRLDFCJBBDASF-BQWKOYSQSA-N 314.473 3.391 10 10 DGCE CC[C@@H](C(=O)O)N(C)Cc1ccc(N(C)C)cc1C(F)(F)F 844936048 IDBBKTIYQQTTGP-ZDUSSCGKSA-N 318.339 3.066 10 10 DGCE C/C(=C/c1cccnc1)C(=O)N(C)Cc1ccc(N(C)C)cc1 847303886 DVJPXEULHGCPLS-QINSGFPZSA-N 309.413 3.210 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCC[C@H]3C[C@H]32)cc1 855020045 FDDOXVOLFODBCC-BMGDILEWSA-N 316.445 3.026 10 10 DGCE CC[C@@H]1CCC[C@@H]1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855224315 FGXXPOGZQCDWGM-VKJFTORMSA-N 316.445 3.216 10 10 DGCE CC(C)(CCS(=O)(=O)Nc1ccc(O)c(F)c1F)C1CC1 901684599 VWICLLRHPRFUEK-UHFFFAOYSA-N 319.373 3.238 10 10 DGCE C[C@H](NCC[C@@H]1CC(=O)N(C)C1)c1ccc2ccccc2c1O 903214280 UHJQQLLZGBKWMZ-UONOGXRCSA-N 312.413 3.064 10 10 DGCE C[C@@H](N[C@H]1C[C@@H]2OC(C)(C)O[C@@H]2C1)c1ccc(Cl)cc1O 927056909 NXIWQKQUDSOWMP-VGKMCQHDSA-N 311.809 3.379 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCC(C)(C)C2)cc1 1130745459 XQLADTVUWJXIKO-OAHLLOKOSA-N 318.461 3.416 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)c2ccc(CF)cc2)c1 1137473338 GDCSLCAEQBFFCI-NSHDSACASA-N 303.333 3.361 10 10 DGCE C[C@@H](NC(=O)c1cccc2c1COCC2)c1ccc(N(C)C)cc1 1328667103 RGGUJHZEPLBOCU-CQSZACIVSA-N 324.424 3.316 10 10 DGCE COc1ccc(N(C)C(=O)/C(C)=C/c2cccnc2)cc1F 1518051743 GIDLFQHAGNHHKB-FMIVXFBMSA-N 300.333 3.296 10 10 DGCE CC(C)N(Cc1ccco1)C(=O)c1ccc(N=NC(N)=O)cc1 1544233189 PGAALFMNRABPCH-UHFFFAOYSA-N 314.345 3.493 10 10 DGCE C[C@H](NC(=O)c1ccc(Br)nc1)c1ccccc1O 1635799308 XWGGVYHMTCHEFH-VIFPVBQESA-N 321.174 3.041 10 10 DGCE CCOC(=O)CC(=O)[C@@H](C)Sc1ncc(C(C)(C)C)s1 1640985235 CKVMDDFJXFLUOJ-SECBINFHSA-N 315.460 3.444 10 10 DGCE CC1(C)C[C@@H](C(=O)NCc2c(O)ccc3ccccc23)CCO1 1645442839 AVLUYRRNOFJGGD-AWEZNQCLSA-N 313.397 3.367 10 10 DGCE O=C(NCc1cccc(Cl)c1O)C1(Oc2ccccc2)CC1 1648609498 ZXQPWSHJPPYUKZ-UHFFFAOYSA-N 317.772 3.273 10 10 DGCE C[C@H](NC(=O)c1cnccc1Br)c1ccccc1O 1877567962 QJBPWPPQHNUYKN-VIFPVBQESA-N 321.174 3.041 10 10 DGCE N[C@]1(c2ccccc2O)CCc2ccc(Br)cc21 1920459078 CFQUWFLRZMRODX-HNNXBMFYSA-N 304.187 3.303 10 10 DGCE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)CN1CCCN=[N+]=[N-] 1962297848 BAGBQDRZJNPVOG-OLZOCXBDSA-N 311.430 3.264 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@H]1C[C@H]2CCCCN2C1 1969658378 ANPRPIXYTHZWFB-QWHCGFSZSA-N 315.244 3.415 10 10 DGCE Cc1cccc(O)c1CN[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C 1976896472 OLJKQRHVVVQLGN-DZGCQCFKSA-N 320.433 3.188 10 10 DGCE C[C@@H](CCNC(=O)OC(C)(C)C)[C@H](N)c1ccc(N(C)C)cc1 1977944587 HXCDAZWJPJZXHL-BBRMVZONSA-N 321.465 3.303 10 10 DGCE CN(C)c1ccc([C@H](N)[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)cc1 1977945042 LVRXSZBEDYYSRH-DZKIICNBSA-N 319.449 3.056 10 10 DGCE CC[C@@H](CN(C)c1ccc(OC)cc1N)NC(=O)OC(C)(C)C 1981725538 QPGZGPXAAIFATI-LBPRGKRZSA-N 323.437 3.017 10 10 DGCE CC[C@@H](O)CN(Cc1ccccc1)c1ccc2c(c1)CC[C@@H]2N 1986609289 KGXMWPQIUCCKOY-QUCCMNQESA-N 310.441 3.410 10 10 DGCE CSCC1(C)CN(c2ccc(CO)cc2Br)C1 2011577230 RMTKKTFBZUWMJE-UHFFFAOYSA-N 316.264 3.131 10 10 DGCE Oc1c(F)cc(Br)cc1CN[C@@H](C(F)F)C1CC1 2029900310 XXIIKMZKEUHQBD-SNVBAGLBSA-N 324.140 3.427 10 10 DGCE Cc1nc([C@@H](O)Cc2ccc(N)cc2)ccc1Br 2039299618 DDEMOVNURRUFCF-AWEZNQCLSA-N 307.191 3.011 10 10 DGCE Cc1ccc([C@H](C2CC2)n2nc(C(F)F)c(C=O)c2N)c(O)c1 2079062422 PLTXUTQOGOSWRJ-AWEZNQCLSA-N 321.327 3.229 10 10 DGCE C[C@H](N)c1ccc(N2CC(COC(F)(F)F)C2)cc1Cl 2156323014 FXSOSKDDYOBUHX-QMMMGPOBSA-N 308.731 3.332 10 10 DGCE CCNCc1ccc(N(C)[C@H]2CCOC[C@H]2F)c(Cl)c1 2186754795 PQZSMHGCJVEMLT-HIFRSBDPSA-N 300.805 3.013 10 10 DGCE Cc1ccc(CN2C[C@H](F)C[C@@H](F)C2)c(O)c1Br 2327570161 GTIOPROOZSSHMG-GHMZBOCLSA-N 320.177 3.345 10 10 DGCE Oc1ccc2ccncc2c1CN1CCN(c2ccccc2)CC1 15497582 NODCITWWUHBZAT-UHFFFAOYSA-N 319.408 3.263 10 10 DGCE CN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)C(O)=NC1=S 33656362 VKXQYRWTQGNRPN-YWEYNIOJSA-N 315.181 3.090 10 10 DGCE Cc1ccc(S(=O)(=O)N(C)[C@H](C)c2ccccc2O)cc1 38089849 AHGRKXIYNAPBSP-CYBMUJFWSA-N 305.399 3.082 10 10 DGCE CC(C)(C)CC(=O)NCc1nc(-c2ccc(O)c(O)c2)cs1 49699520 MDTFAKOAWLQJRA-UHFFFAOYSA-N 320.414 3.274 10 10 DGCE COc1ccc(N(CCC(=O)O)Cc2ccccc2F)cc1 71717478 AUALSTNBWNQVDE-UHFFFAOYSA-N 303.333 3.316 10 10 DGCE CC[C@@H](N)CN1C[C@@](C)(C(C)C)Nc2cc(OC)c(OC)cc21 75280769 XMWOEMOMMUUVJV-ACJLOTCBSA-N 321.465 3.088 10 10 DGCE CN(C)c1ccc(-c2nc(C3CC3)c(C(N)=S)s2)cc1 82436610 WBIQNSMMVYCPDL-UHFFFAOYSA-N 303.456 3.388 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)c2scnc2C2CC2)c1 89817264 DNCJDALVCIDHBG-VIFPVBQESA-N 318.398 3.226 10 10 DGCE COc1ccc(N(CC(=O)N2CCCCC2)[C@H](C)C2CC2)cc1 109773978 FHCHPCLCCWMOGZ-OAHLLOKOSA-N 316.445 3.313 10 10 DGCE COc1ccc(N(C[C@H](O)COC(C)(C)C)[C@H](C)C2CC2)cc1 121201618 XEGBWAJHPJRAHU-PBHICJAKSA-N 321.461 3.476 10 10 DGCE COc1ccc(CN2CCC[C@H]2c2noc(C(C)C)n2)c(O)c1 127880605 LZQJCIAPEZOYMS-AWEZNQCLSA-N 317.389 3.244 10 10 DGCE CC1(C)CN(c2ccc(CN)cc2Br)CCS1 158575262 DLQIYBYZVBIPIW-UHFFFAOYSA-N 315.280 3.240 10 10 DGCE COc1ccc(O)c(CN2CCC[C@H]2c2c(C)nn(C)c2C)c1 180136134 DXYRPTZRCDEUOH-INIZCTEOSA-N 315.417 3.088 10 10 DGCE CCO[C@@H]1C[C@@H](N[C@@H](C)c2ccc(F)cc2O)C12CCOCC2 186318484 MIYXPIWMMFSLGS-JCURWCKSSA-N 323.408 3.156 10 10 DGCE Cc1ccc(O)c(NC2=NC(=O)/C(=C\c3ccccn3)S2)c1 210614420 CQCMQUKGCRSILK-NTEUORMPSA-N 311.366 3.178 10 10 DGCE Nc1ccc(Nc2ncnc3c2cnn3-c2ccc(F)cc2)cc1 219762990 QOHVQONIGZLVCG-UHFFFAOYSA-N 320.331 3.280 10 10 DGCE O=Cc1cc(I)cc2scc(O)c12 306737572 RLHYVVDPCJWOMI-UHFFFAOYSA-N 304.108 3.024 10 10 DGCE O=C(/C=C\c1cnccn1)N1CC2(CCC2)c2c(F)cccc21 491347910 DXMCNCGENCQTLK-WAYWQWQTSA-N 309.344 3.097 10 10 DGCE C[C@@]1(CN[C@@H]2CCc3cccc(O)c32)COc2ccccc2O1 527927441 GNLOSHRLZKWQND-AUUYWEPGSA-N 311.381 3.199 10 10 DGCE C[C@H](NCc1c(O)cccc1Br)[C@H]1CCCCO1 706821753 OKMRWYNJGYBZFL-IINYFYTJSA-N 314.223 3.202 10 10 DGCE CCN(Cc1cccc(Br)c1O)C1CCOCC1 716481236 SUSNOJWPLVVWQG-UHFFFAOYSA-N 314.223 3.156 10 10 DGCE CN(C[C@@H]1CCSC1)c1ccc(CO)cc1Br 718384319 XASJULLGFSAJJR-NSHDSACASA-N 316.264 3.131 10 10 DGCE CN(Cc1ccccc1O)C(=O)C(F)(F)c1ccccc1F 759213757 RBUUBZXHRWNOSV-UHFFFAOYSA-N 309.287 3.282 10 10 DGCE CCOC(=O)CC1(NCc2ccc(N(C)C)cc2)CCCC1 789388137 OMMZAYGXBMGMLT-UHFFFAOYSA-N 304.434 3.108 10 10 DGCE CCOc1cccc(CN2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1O 824696312 KXJURFRMTFENJT-GVDBMIGSSA-N 319.445 3.306 10 10 DGCE COCCC1CN(Cc2cc(OC)cc(C(C)(C)C)c2O)C1 826894650 STIALPRKBFRLOG-UHFFFAOYSA-N 307.434 3.167 10 10 DGCE CC[C@H](N[C@@H](C)c1cc(Cl)cc(C)c1O)[C@H](O)C(F)F 834875863 UWSUOBDCVLTWSP-QWRKXWFKSA-N 307.768 3.409 10 10 DGCE C[C@H](N[C@H]1CCN(c2ccc(F)cc2)C1)c1ccccc1O 840896631 JIVRHIGSBZXXPD-ZFWWWQNUSA-N 300.377 3.461 10 10 DGCE CCOc1cccc(CN[C@H](c2ccccc2F)[C@H](C)O)c1O 846019162 XWZHYEMRYDFNSU-SJCJKPOMSA-N 319.376 3.142 10 10 DGCE CC[C@H](NC[C@@H]1CN(C2CC2)C(=O)O1)c1cccc(Cl)c1O 848574323 RTWRPKBDGUCXDE-RISCZKNCSA-N 324.808 3.070 10 10 DGCE Fc1cc(CN[C@H]2CCCC23CC3)ccc1N1CCOCC1 850425923 XXWYERFGKAYUSL-KRWDZBQOSA-N 304.409 3.085 10 10 DGCE Cc1cccc(-n2c(C)cc(C(=O)N3CCC34COC4)c2C)c1 854837582 LQTLDUVSAWETFO-UHFFFAOYSA-N 310.397 3.017 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)/C=C3/CC[C@@H](C)C3)C2)cc1 855233613 JAJPQWCZCVUXFT-USTAHWGDSA-N 314.429 3.137 10 10 DGCE CC[C@H](NCCC[C@H]1CCOC1=O)c1cccc(Cl)c1O 872112334 JCHTWLFMBCFYCX-FZMZJTMJSA-N 311.809 3.430 10 10 DGCE O=C(N[C@H]1CCCC12CC2)c1cc2cc(O)c(O)cc2s1 899154518 TWJNELHZLGVDPD-AWEZNQCLSA-N 303.383 3.375 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)C(C)(C)c2nccs2)c1 901127082 HDAGEPHEQWSPRN-JTQLQIEISA-N 320.414 3.012 10 10 DGCE C[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCCO1 908210741 CKVOHPZBRBXMAB-PRHODGIISA-N 318.200 3.130 10 10 DGCE O=C(NCc1c(O)cccc1F)N[C@H](c1ccccc1)C1CC1 913972937 FDXLHKFCVOHOSI-QGZVFWFLSA-N 314.360 3.482 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@H](C)CC2)cc1 928532622 YQINMXGDRCDRFB-MRXNPFEDSA-N 312.413 3.345 10 10 DGCE CC(C)Oc1cc(NC(=O)N2Cc3cccc(O)c3C2)ccn1 930991334 PRBKANIJFBJVQO-UHFFFAOYSA-N 313.357 3.122 10 10 DGCE Cc1ccc(O)c(CNC(=O)NC[C@@H]2CCc3ccccc3C2)c1 1231058349 BMKIZXZTMJIURL-OAHLLOKOSA-N 324.424 3.305 10 10 DGCE CCN(C)c1ccc(CNC2(C(=O)OC)CCCCCC2)cc1 1307653518 GSSLSRLLDMQRDC-UHFFFAOYSA-N 318.461 3.498 10 10 DGCE CC[C@H](NC(=O)NCc1c(O)cccc1F)c1ccccc1 1312877701 RHFSUFGUOIXTTA-HNNXBMFYSA-N 302.349 3.482 10 10 DGCE Cc1ncc(C)c(N2CC=C(c3ccc(Cl)nc3)CC2)n1 1329157208 GFYGHDNVNIHROO-UHFFFAOYSA-N 300.793 3.436 10 10 DGCE CCc1c(C(=O)NCc2ccc(O)c(O)c2)oc2ccccc12 1445901285 MASGLMHARULULC-UHFFFAOYSA-N 311.337 3.336 10 10 DGCE C[C@@H](NCC(=O)Nc1cccc(Cl)c1)c1ccccc1O 1460640937 VUJIUMBDFGAAIH-LLVKDONJSA-N 304.777 3.335 10 10 DGCE Cc1ccccc1[C@@H](C)NC(=O)NCc1c(O)cccc1F 1470945373 DMQLYOOSSOUPSS-GFCCVEGCSA-N 302.349 3.400 10 10 DGCE Cc1ccc(O)c(CNc2ncnc(F)c2Br)c1 1559240489 RKQJNHOHOYUJGQ-UHFFFAOYSA-N 312.142 3.004 10 10 DGCE O=C(NCc1c(O)cccc1F)c1ccc(Cl)cc1[N+](=O)[O-] 1596906785 JYSCKTKTBQESNC-UHFFFAOYSA-N 324.695 3.023 10 10 DGCE Cc1ccc(/C=C\C(=O)NCc2c(O)ccc3c2CCCC3)cn1 1631439068 UBNLCSVXYATDSZ-FLIBITNWSA-N 322.408 3.304 10 10 DGCE C[C@H](NC(=O)[C@@H](C)Oc1ccc(F)c(F)c1)c1ccccc1O 1642830992 NNETYRORSJLSNZ-WDEREUQCSA-N 321.323 3.315 10 10 DGCE C[C@@H](NC(=O)c1ccc(C(F)(F)F)cn1)c1ccccc1O 1648889628 FNPUFBVWQFTLIH-SECBINFHSA-N 310.275 3.297 10 10 DGCE C[C@H](N[C@H](C)c1ccccc1O)C(=O)Nc1ccc(F)c(F)c1 1659815901 YFSWHRSUDYPDIP-MNOVXSKESA-N 320.339 3.348 10 10 DGCE CCc1nnc(N(C)Cc2ccccc2O)n1CC1CCCC1 1709038437 IMMKCUQKNGLQHI-UHFFFAOYSA-N 314.433 3.373 10 10 DGCE Cc1ccc(NC(=O)CCNCc2cc(C)ccc2O)c(F)c1 1857853697 APDXJBKFMFETKW-UHFFFAOYSA-N 316.376 3.267 10 10 DGCE Cc1cccc(O)c1CNCc1ccc(Br)c(C)n1 1896389485 QNDXRZQIOLJRAI-UHFFFAOYSA-N 321.218 3.456 10 10 DGCE CC[C@@]1(C)N(C(=O)OC(C)(C)C)CC[C@@]1(N)c1ccccc1O 1900199625 XNGKRQFIAGNAMR-QZTJIDSGSA-N 320.433 3.356 10 10 DGCE CN[C@H](C)c1ccc(N2CCSC2)c(Br)c1 1902759659 VPHATMVRJIFONA-SECBINFHSA-N 301.253 3.240 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN(Cc2nc(Cl)cc(Cl)n2)C1 1912149321 DZUUNPOSKVNBNK-QMMMGPOBSA-N 301.181 3.306 10 10 DGCE C[C@H]1C[C@@](NCCCN=[N+]=[N-])(C(=O)O)c2ccsc2S1 1912197681 XMNNKPFEZJZTSH-UFBFGSQYSA-N 312.420 3.202 10 10 DGCE C[C@@H](N)c1ccc(N(CCCO)Cc2ccccc2)c(F)c1 1914608499 AOQKFFCBMLZPRM-CQSZACIVSA-N 302.393 3.234 10 10 DGCE C[C@@H](N)c1ccc(N(Cc2ccccc2)C(C)(C)CO)cc1O 1915757933 JIVAZEXDEXFKPN-CQSZACIVSA-N 314.429 3.189 10 10 DGCE CCCNCc1ccc(N2CC(F)C2)cc1Br 1917018209 WRHQDTIUAXDZJK-UHFFFAOYSA-N 301.203 3.107 10 10 DGCE C[C@H](NCc1ccc(Br)cn1)c1ccc(O)cc1O 1927137960 RKFZCQLKHIIAFC-VIFPVBQESA-N 323.190 3.106 10 10 DGCE CC[C@H](NOCCCNC(=O)OC(C)(C)C)c1ccccc1O 1937011041 HGQNVVWKWUCSNK-AWEZNQCLSA-N 324.421 3.279 10 10 DGCE CC(C)C1CN(c2cc(Br)c(CN)cc2F)C1 1946185882 GWGCNBMVVAICEX-UHFFFAOYSA-N 301.203 3.139 10 10 DGCE Cc1sc(Br)cc1[C@@H](NN)c1ccccc1O 1946694560 IGRNIJHPPVEGCL-LBPRGKRZSA-N 313.220 3.077 10 10 DGCE CC(C)(C)OC(=O)N[C@H](CC(=O)O)c1c(O)cccc1Cl 1951384239 UWHWTJLBQKYQNV-SECBINFHSA-N 315.753 3.086 10 10 DGCE Cc1ccc(O)c([C@H](C)N[C@@H]2C[C@@H]2CNC(=O)OC(C)(C)C)c1 1973223469 XEJAAVPEFHDZOH-GZBFAFLISA-N 320.433 3.264 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H]2[C@H]1[C@@H]2Nc1c(N)cccc1F 1977677497 CLTWGHKSNGCZMY-YVLXSGLVSA-N 321.396 3.218 10 10 DGCE O[C@H]1CCCc2cc(N(Cc3ccccc3)C3COC3)ccc21 1986600566 NYRROPCBHAAKSH-FQEVSTJZSA-N 309.409 3.462 10 10 DGCE C[C@@H](O)CN(Cc1ccccc1)c1ccc2c(c1)CCC[C@@H]2N 1986601814 YKGQVCWBJHLFBK-QRWLVFNGSA-N 310.441 3.410 10 10 DGCE CC[C@@H](O)CN(Cc1ccccc1)c1ccc2c(c1)CC[C@H]2N 1986609292 KGXMWPQIUCCKOY-UYAOXDASSA-N 310.441 3.410 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C1)[C@@H]2COc1ccc(N)cc1 1992429435 DWFVAPFWMVMMAK-HRCADAONSA-N 318.417 3.151 10 10 DGCE CC(C)(CF)CNCc1cc(Br)cc(F)c1O 2001067452 FIFJZVDTERVHDF-UHFFFAOYSA-N 308.166 3.379 10 10 DGCE C[C@@]1(NCc2cc(Br)cc(F)c2O)C=CCC1 2003303187 SDZJOVXBGPPPKW-CYBMUJFWSA-N 300.171 3.492 10 10 DGCE N[C@@H](c1ccccc1O)c1c(F)cc(Br)cc1F 2029565099 XNIWVAXZYBAKFE-ZDUSSCGKSA-N 314.129 3.481 10 10 DGCE C[C@@H]1CCO[C@H]1CN(C)Cc1cccc(Br)c1O 2034984344 JKESDGGFFTYKNJ-MFKMUULPSA-N 314.223 3.012 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCCN(C(=O)C2(Br)CCC2)C1 2049223415 QFESTOXKCKCKEB-SNVBAGLBSA-N 315.215 3.243 10 10 DGCE C[C@H](F)[C@@H]1CCCN1c1ccc(CN)c(Br)c1F 2060888853 SNHQHUDRPILBIT-WPRPVWTQSA-N 319.193 3.374 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[C@@H](O)[C@H]1C 2064146899 AIPAJTQPFBRVEC-UKRRQHHQSA-N 318.442 3.141 10 10 DGCE COc1ccc([C@H](C)n2nc(C3CCCC3)cc2CN)c(O)c1 2070137985 HTECLKYAJTVBMA-LBPRGKRZSA-N 315.417 3.323 10 10 DGCE Cc1ccc([C@H](C2CC2)n2nc(C3(C)CC3)c(N)c2N)c(O)c1 2079026558 DRPKDSBFGRIWSX-HNNXBMFYSA-N 312.417 3.112 10 10 DGCE C[C@]1(Br)CN(CCc2ccc(N)cc2)C[C@@]1(C)F 2084850892 FEJSMWKEBRGWPR-UONOGXRCSA-N 315.230 3.009 10 10 DGCE N[C@H]1CCCC12CN(Cc1cc(Cl)cc(Cl)c1O)C2 2098260448 JIUSQYDEROMTMS-LBPRGKRZSA-N 301.217 3.012 10 10 DGCE CN(C)c1ccc([C@@H](N)c2cc(O)ccc2Br)cc1 2106855933 TZOUGVIIQFZPQR-OAHLLOKOSA-N 321.218 3.269 10 10 DGCE NCc1ccc(N2CC[C@H](n3cccc3)C2)cc1Br 2115190729 RQTPYLVBTROCLQ-AWEZNQCLSA-N 320.234 3.161 10 10 DGCE CN(Cc1ccc(Cl)cc1O)C[C@@H]1COCCC1(F)F 2166668833 XINNUNXHZHAFIR-LLVKDONJSA-N 305.752 3.149 10 10 DGCE C[C@H](c1ccc(Cl)cc1O)N1CCC[C@@]12CC[S@](=O)C2 2203360261 HDHLLGDABCLXGI-SZELWCTASA-N 313.850 3.094 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCC[C@@H]2CCNC[C@@H]21 2290258008 CCSWVHKXPSKCGX-YGRLFVJLSA-N 315.244 3.273 10 10 DGCE Cc1ccc(C=C2SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)cc1 2293215405 NWXXQLZGOPJPFQ-CHWSQXEVSA-N 316.426 3.075 10 10 DGCE CCSC1CN(Cc2ccc(C)c(Br)c2O)C1 2307468793 BTTKAQQCYMSBKX-UHFFFAOYSA-N 316.264 3.400 10 10 DGCE Cc1ccc(CNCC2(F)CCC2)c(O)c1Br 2307475988 WJUFCJNOSXJABX-UHFFFAOYSA-N 302.187 3.445 10 10 DGCE Oc1ccc(N=NN2CCN(c3ccccc3F)CC2)cc1 2330146359 UHOJFZYQYLZLET-UHFFFAOYSA-N 300.337 3.352 10 10 DGCE CCOC(=O)C1CCN(N=Nc2cc([N+](=O)[O-])ccc2C)CC1 2330193795 ADOOSOOTUVAQKU-UHFFFAOYSA-N 320.349 3.177 10 10 DGCE C[C@H](N)c1ccc(N2CCOC(C)(C)C2)c(Br)c1 61695726 ZPYLGMDYRKSCSQ-JTQLQIEISA-N 313.239 3.084 10 10 DGCE C[C@@H](Nc1ccc(S(C)(=O)=O)cc1)c1ccc(F)cc1O 62744847 SNIZTNBCXUZZKV-SNVBAGLBSA-N 309.362 3.108 10 10 DGCE CSCCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 68535399 ROYWPHYBRHOMQS-UHFFFAOYSA-N 306.475 3.388 10 10 DGCE C[C@H](N)c1ccc(N2CCSC[C@H]2C)c(Br)c1 70220164 RZRYMLOJWZXHAE-ZJUUUORDSA-N 315.280 3.411 10 10 DGCE CCCCCOc1ccc(N2CC[C@H](CNCCCO)C2)cc1 76359893 GXHRNOASGPTQFJ-QGZVFWFLSA-N 320.477 3.054 10 10 DGCE COc1ccc(Br)c(COc2ccc(C)nc2N)c1 87786447 YRWFDARONYUHKK-UHFFFAOYSA-N 323.190 3.322 10 10 DGCE COc1ccc(O)c(CN[C@@H](C)c2nc3ccccc3n2C)c1 91374564 SURULUZJBNSBKG-LBPRGKRZSA-N 311.385 3.138 10 10 DGCE C[C@@H]1CCC[C@@H](N(C)c2cc3c(cc2Cl)[C@H](N)C(=O)N3)C1 92750871 YOTUALUBZCKMIT-FCHSOHFDSA-N 307.825 3.307 10 10 DGCE CCOCCN(CCOCC)c1ccc([C@H](C)N)c(Cl)c1 123205896 HFIYPELNCAWPMC-ZDUSSCGKSA-N 314.857 3.239 10 10 DGCE Cc1cncc(/C=C/C(=O)N2CCN(C)c3ccc(F)cc32)c1 131316123 HRECHVNSCKSDQE-ZZXKWVIFSA-N 311.360 3.025 10 10 DGCE C[C@H](N[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)c1ccccc1O 227629237 JDFIMCFMLJBJOD-QEJZJMRPSA-N 320.433 3.489 10 10 DGCE CC[S@](=O)[C@@H]1CCC[C@@H](N[C@H](C)c2cc(F)ccc2O)C1 248491827 IWIUOZRMGAAOGR-LDCAVPPVSA-N 313.438 3.262 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1CCN2CCC[C@H]1C2 382966851 QCTMDKHMUIQPAP-IINYFYTJSA-N 315.244 3.273 10 10 DGCE N#Cc1cc(CN)ccc1N1CC[C@@H](COCc2ccccc2)C1 384167031 SMJRSBXZQFIBDT-GOSISDBHSA-N 321.424 3.060 10 10 DGCE CNCc1ccc(N2CC[C@H](C3CC3)C2)c(Br)c1 400193543 CIEYNSJAFIWKTB-ZDUSSCGKSA-N 309.251 3.405 10 10 DGCE CCOCc1cc(CN[C@@H]2[C@H](C)O[C@H](C)[C@@H]2C)ccc1OC 527803908 LKOXKICOAVNLGF-AHXJXLJNSA-N 307.434 3.133 10 10 DGCE O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(O)c(O)c(O)c1 586737422 DFQLMDNTCOQUFB-UHFFFAOYSA-N 313.231 3.075 10 10 DGCE COCc1cc(F)ccc1NC(=O)/C=C\c1ccc(O)c(O)c1 588493512 KHPSOSSFPAYDHG-CLTKARDFSA-N 317.316 3.035 10 10 DGCE C[C@@]1(CNCc2cc(Br)ccc2O)CC1(F)F 689211424 CFSJPPVUMWSTKT-NSHDSACASA-N 306.150 3.290 10 10 DGCE C[C@H]1[C@H](C)CN1c1ccc(/C=C\C(=O)O)c(Br)c1 706828432 BVWPSZZSZPBVDW-ZUJXDTADSA-N 310.191 3.392 10 10 DGCE C[C@@H](O)c1ccc(N2CCS[C@H](C(F)(F)F)C2)c(F)c1 721381449 DKYLDTALLJZTGA-PELKAZGASA-N 309.328 3.363 10 10 DGCE CO[C@H]1CC[C@@H]1N(C)c1ccc([C@H](C)O)c(Br)c1 724151596 SPZLWQAZJPZJBZ-HERUPUMHSA-N 314.223 3.116 10 10 DGCE CC(C)C(=O)Nc1ccc(NC(=O)c2cc(O)cs2)cc1 731865009 HNFHXYZBSXBPBY-UHFFFAOYSA-N 304.371 3.301 10 10 DGCE COc1ccc(N2CCN(C(=O)/C=C3/CC[C@H](C)C3)CC2)cc1 753561960 FUXFWIIOTNXETP-RIBQPWQFSA-N 314.429 3.090 10 10 DGCE O=C(NCCCSc1nccs1)NCCC1(F)CCC1 806959594 YGGMTDJINMAFDD-UHFFFAOYSA-N 317.455 3.207 10 10 DGCE COc1nccnc1CN1CCCc2cc(OC(F)F)ccc21 824162507 URAOOOSCRILRMG-UHFFFAOYSA-N 321.327 3.039 10 10 DGCE Cc1cc(O)c(CN2CC[C@@H](Oc3ccncc3)C2)cc1Cl 825725816 ARFMWYHKXXWLAY-OAHLLOKOSA-N 318.804 3.402 10 10 DGCE COc1cccc(CNC(=O)NCC2(C3CCC3)CCC2)c1O 838730918 OAJNFFSEHOTUAJ-UHFFFAOYSA-N 318.417 3.170 10 10 DGCE C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1C[C@H]1C 840719973 XKSWIXQWADARLA-VCBZYWHSSA-N 302.462 3.029 10 10 DGCE COc1ccc(CN(C)Cc2c(O)cc(C)cc2Cl)cn1 840940025 UGTWTMAJXRFPDZ-UHFFFAOYSA-N 306.793 3.390 10 10 DGCE CN(C)c1ccc(/C=C\CNc2cccc3c2CCNC3=O)cc1 840973924 RUIFGLCFVLBSTP-PLNGDYQASA-N 321.424 3.164 10 10 DGCE Cc1ccc(CC[C@@H](C)NC(=O)NCCc2ccc(N)cc2)o1 841838608 DNYTXUQCXJYRHG-CYBMUJFWSA-N 315.417 3.033 10 10 DGCE CC[C@@H]1C[C@H](CN[C@H]2CCN(c3ccc(OC)cc3)C2)CCO1 850347329 QILLTNOCTFANHT-SOLBZPMBSA-N 318.461 3.069 10 10 DGCE CCOC(=O)C1=CC[C@@H](N[C@H](CC)c2ccc(C)cc2O)C1 858508724 OPDLDEJURATYJE-GDBMZVCRSA-N 303.402 3.393 10 10 DGCE CC(C)O[C@@H](C(=O)N1Cc2cccc(O)c2C1)c1ccccc1 871205754 XSTGCGPRALKQOW-GOSISDBHSA-N 311.381 3.401 10 10 DGCE CCN(C)c1ccc([C@H](C)NC[C@]2(OC(C)C)CCOC2)cc1 903359590 DPPBWRYBRSVLKJ-QFBILLFUSA-N 320.477 3.377 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@@H](CC(=O)O)C2CCCC2)cc1 904043903 XNJJVKARLVNXKM-XFHJGTJQSA-N 316.445 3.389 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCC=CCCC1 907274074 OJTGVWDHGHFUKW-HIFRSBDPSA-N 303.402 3.282 10 10 DGCE CCO[C@H](CN[C@@H](CC)c1cc(Cl)ccc1O)CN(C)C 926959542 JRQQXARSCDCGCF-HIFRSBDPSA-N 314.857 3.053 10 10 DGCE CCc1noc([C@@H]2CC[C@@H](N[C@H]3CCc4cccc(O)c43)C2)n1 927055627 GLRLNZBOUDHOII-MCIONIFRSA-N 313.401 3.251 10 10 DGCE Cc1cc(NC(=O)OC(C)(C)C)c2c(c1N(C)C)CNCC2 958679609 UGKQCWFNXQWREH-UHFFFAOYSA-N 305.422 3.054 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CCC(C)(C)O1 1124550031 VXEAFUWASDSGAZ-KRWDZBQOSA-N 316.445 3.203 10 10 DGCE O=C(NCc1cccc(O)c1O)C1(c2ccc(Cl)cc2)CC1 1153791748 ILMUUDIHRUQGPS-UHFFFAOYSA-N 317.772 3.099 10 10 DGCE C[C@H](NC(=O)[C@@H]1CCC[C@H](N(C)C)C1)c1ccc(N(C)C)cc1 1154667934 AEBBDNCMSHANOY-LESCRADOSA-N 317.477 3.050 10 10 DGCE Oc1ccc(Br)cc1CNc1cnc(Cl)cn1 1171175482 NJHNXBXJSKMMDT-UHFFFAOYSA-N 314.570 3.210 10 10 DGCE CC(=O)Nc1cc(C(=O)N[C@H](C)c2ccccc2O)ccc1C 1171723015 JMFXYMYHFIBHDU-GFCCVEGCSA-N 312.369 3.150 10 10 DGCE COc1ccc(CNC(=O)NC[C@H]2C[C@@H]2C2CCCC2)c(O)c1 1256435443 FVSLAOYOLZMWCM-GDBMZVCRSA-N 318.417 3.026 10 10 DGCE CCC(CC)C(=O)N(C)[C@H](C)CNCc1ccc(OC)c(C)c1 1270895168 IJFIZDFJPFPDCU-OAHLLOKOSA-N 320.477 3.376 10 10 DGCE COc1ccc(CN[C@@H](C)[C@@H](C)NC(=O)C2=CCCC2)cc1C 1282114647 UNPMZNCXYKYJFS-LSDHHAIUSA-N 316.445 3.097 10 10 DGCE CCc1cccc2c(CC(=O)NCc3ccc(O)cc3O)c[nH]c12 1299574671 SVNAZGZCBVCIIH-UHFFFAOYSA-N 324.380 3.000 10 10 DGCE COc1ccc(CN[C@@H](CNC(=O)C2(C)CC2)C(C)C)cc1C 1319917405 RUGCDZNQPHFDEC-INIZCTEOSA-N 318.461 3.034 10 10 DGCE C[C@@H](Oc1cccnc1)C(=O)NCc1c(O)ccc2ccccc12 1597736937 PIGNZPDYTGBYNP-CYBMUJFWSA-N 322.364 3.024 10 10 DGCE COc1ncc(/C=C\C(=O)N(CC2CC2)c2ccc(C)cc2)cn1 1625992317 VUOSNNVUIVCSNN-YFHOEESVSA-N 323.396 3.250 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)C1Cc2ccccc2C1 1640920363 PEKFWABSPWCPSC-UHFFFAOYSA-N 301.773 3.077 10 10 DGCE CCOc1ccc(N(Cc2noc(CC)n2)CC2CC2)cc1 1655332771 BDDDSRVSGQNVII-UHFFFAOYSA-N 301.390 3.447 10 10 DGCE C[C@H](O)c1ccc(N2CC[C@@](C)(F)C2)cc1Br 1946967452 HADQWXDNJYBBPD-TVQRCGJNSA-N 302.187 3.441 10 10 DGCE C[C@H]1CCCN(CCCN=[N+]=[N-])[C@H]1CNC(=O)OC(C)(C)C 1962287850 NVYPVLWQYGAPTP-STQMWFEESA-N 311.430 3.312 10 10 DGCE C[C@@H]1CC[C@H](CCNCc2ccc(Br)cc2O)O1 1965985571 SJLJRHDOUXNKCG-ZWNOBZJWSA-N 314.223 3.202 10 10 DGCE C[C@H]1CN(Cc2ccccc2)C[C@H]1NCc1c(O)cccc1F 1976860323 HIFQTMSVGNNARD-KBXCAEBGSA-N 314.404 3.141 10 10 DGCE Cc1cccc(O)c1CN[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 1976877550 QIRBLNYFPJLAIE-UONOGXRCSA-N 320.433 3.236 10 10 DGCE CC(C)(C)OC(=O)NC[C@]1(F)C[C@H]([C@H](N)c2ccccc2O)C1 1976953321 UYOFFJKZLGHMEP-YLVFBTJISA-N 324.396 3.035 10 10 DGCE CCC[C@H]1C[C@H](NCc2c(O)cccc2Br)CO1 2065789729 DDWAZZAGFFTAAN-QWRGUYRKSA-N 314.223 3.202 10 10 DGCE CC[C@H](CN(C)c1ccc([C@@H](C)N)cc1Br)OC 2068255424 UZBVQPGLISVRGL-ZYHUDNBSSA-N 315.255 3.330 10 10 DGCE CCOC(=O)c1cn([C@@H](C)c2cc(C)c(C)cc2O)nc1C 2070251047 DOTRHWNTGGOPEC-ZDUSSCGKSA-N 302.374 3.300 10 10 DGCE Cc1cc(S(=O)(=O)Nc2ccc(O)c(F)c2)c(C)s1 2089618444 KBQGSCVVDMEKJP-UHFFFAOYSA-N 301.364 3.010 10 10 DGCE Cc1cccc(CNc2nc(C)c(Br)cc2N)c1O 2139744596 ZGQAJKWZUZTADL-UHFFFAOYSA-N 322.206 3.361 10 10 DGCE CC(C)N[C@](CO)(CSc1nccs1)C1CCCC1 2143007003 AYLCZLZNDRAHDZ-CQSZACIVSA-N 300.493 3.155 10 10 DGCE CCN[C@@]1(C(=O)O)C[C@H](Sc2nccs2)CCC1(C)C 2155425738 YOQQJQGJOFNZSN-QMTHXVAHSA-N 314.476 3.247 10 10 DGCE CSc1ncc(CNc2cc(CO)cc(C(C)C)n2)s1 2284504256 KYARKJWQKWAAQU-UHFFFAOYSA-N 309.460 3.488 10 10 DGCE CCc1nsc(CN(C)c2ccc(CNC)c(Cl)c2)n1 2288836097 DWAOPLURSBDISF-UHFFFAOYSA-N 310.854 3.110 10 10 DGCE CNCc1ccc(N2[C@@H]3C=CC[C@H]2CC3)cc1Br 2310800017 ZDYPGABQMOPJLT-OLZOCXBDSA-N 307.235 3.466 10 10 DGCE COC(=O)Cc1nc2c(O)cccn2c1N=Nc1ccccc1C 2320774344 QSEIQUQLEYFKIB-UHFFFAOYSA-N 324.340 3.479 10 10 DGCE COCCN(Cc1ccc(C)c(Br)c1O)C(C)C 2327566873 GIGICNFXDFGTAA-UHFFFAOYSA-N 316.239 3.320 10 10 DGCE Cc1ccc(CN2C(=O)[C@H](C)C[C@@H]2C)c(O)c1Br 2327801888 VURUCTZQFWTWJS-ZJUUUORDSA-N 312.207 3.220 10 10 DGCE COc1ccc(OC)c([C@@H](C)NCc2ccc3c(c2)CCO3)c1 43288575 ICFYTBLWUCWQDZ-CYBMUJFWSA-N 313.397 3.490 10 10 DGCE CCNCc1ccc(OC)c(C[S@](=O)c2cccs2)c1 84030541 CORSUSYXXFJIRI-HXUWFJFHSA-N 309.456 3.174 10 10 DGCE CCOC(=O)C1(N(C)Cc2ccc(OC)cc2O)CCCCC1 93695036 COXJMDZWLHAMGK-UHFFFAOYSA-N 321.417 3.099 10 10 DGCE C[C@H]1Cc2ccccc2[C@@H]1NC(=O)N(C)Cc1ccccc1O 111900049 DDUXXXFPXFBJQY-SCLBCKFNSA-N 310.397 3.467 10 10 DGCE C/C(=C/C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C1CC1 117975071 DULCRNRYVJGRAP-VWILAXROSA-N 315.413 3.256 10 10 DGCE Nc1ccc(CCNC(=O)/C=C/c2ccnc3ccccc23)cc1 152589542 PFNYEXDMOJFAJH-JXMROGBWSA-N 317.392 3.189 10 10 DGCE COc1cccc(CNC(=O)Nc2nc(C(C)C)cs2)c1O 170791854 FZUKWLBNCHGZRD-UHFFFAOYSA-N 321.402 3.302 10 10 DGCE Cc1ccc(O)c([C@H](C)NCC(=O)N2CCCc3ccccc32)c1 185192688 QBQFLOSYYLVXPM-HNNXBMFYSA-N 324.424 3.331 10 10 DGCE Cc1csc([C@@H]2COCCN2Cc2ccc(N(C)C)cc2)n1 190403518 MCTHLGATHNRADC-INIZCTEOSA-N 317.458 3.091 10 10 DGCE Nc1ccc(NC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 217313582 ATWPFRGQTOTWKK-UHFFFAOYSA-N 306.709 3.474 10 10 DGCE CCO[C@@H]1C[C@H](N[C@H](C)c2cc(C)ccc2O)C12CCOCC2 248647949 UHNUVZWJZQHHBH-FHLIZLRMSA-N 319.445 3.325 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 248732950 PBZSVVNTXDSMDX-AADNMHCOSA-N 303.402 3.009 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)Cn1ncc2ccccc21 264388055 KYFHKOOTXFJFIX-UHFFFAOYSA-N 323.396 3.181 10 10 DGCE CN(C)c1ccc(CN(C[C@H](O)CC(F)(F)F)C2CC2)cc1 276342231 ISSXDCNVADDIAG-OAHLLOKOSA-N 316.367 3.030 10 10 DGCE C[C@@H]1C[C@H](C(F)(F)F)CCN1Cc1cc2c(cc1O)OCO2 295043783 OWJICFZDOWSENU-MWLCHTKSSA-N 317.307 3.284 10 10 DGCE CC[C@H](N[C@H](C)c1ccc(N(C)CC)cc1)[C@H](O)C(F)F 296633484 XNHBYCAMWDXOGU-UGFHNGPFSA-N 300.393 3.198 10 10 DGCE COCCn1c(C)c(C)c2cc(C(=O)NCCCCF)ccc21 360504620 DCKDJJPDSOEXJP-UHFFFAOYSA-N 320.408 3.384 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CC[C@H](CNCc2ccccc2O)C1 382012429 UZZSRWMQINBWKR-ZFWWWQNUSA-N 320.433 3.175 10 10 DGCE CCNCc1cc(F)c(N2CCC[C@H]2CSC)c(F)c1 400464799 UPAOTJVWBVCSOG-LBPRGKRZSA-N 300.418 3.406 10 10 DGCE C[C@@H](NC[C@H]1c2ccccc2C(=O)N1C)c1ccc(F)cc1O 528001017 GGPKJBZWKJQUSE-BZNIZROVSA-N 314.360 3.009 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)c1ccc(Br)s1 691686036 LNMHNADUBBNEGR-ZETCQYMHSA-N 315.196 3.426 10 10 DGCE Oc1c(CNCc2ccc(Br)o2)ccc(F)c1F 703330024 UREJDDRFHJADQW-UHFFFAOYSA-N 318.117 3.316 10 10 DGCE COCC1(COC(=O)c2cc(C)n(-c3ccccn3)c2C)CC1 799668210 FHFKWJHBQNGQMU-UHFFFAOYSA-N 314.385 3.073 10 10 DGCE C[C@@H]1CO[C@@H](C(F)(F)F)CN1Cc1ccc(N(C)C)c(F)c1 809697291 ZCXLJHQXNGIZCD-QMTHXVAHSA-N 320.330 3.043 10 10 DGCE O=C(NCc1ccc(O)c(O)c1)c1cc2cc(Cl)sc2[nH]1 813490460 LCECNWSNPKGJTF-UHFFFAOYSA-N 322.773 3.224 10 10 DGCE CCCCN(Cc1ccccc1O)[C@H]1CCN(C(C)(C)C)C1=O 823026010 OCKCLHAYJMJSEF-INIZCTEOSA-N 318.461 3.394 10 10 DGCE Cc1cc(CN[C@@H]2CCOC[C@H]2C)ccc1N1CCCCC1 829244340 WMUBNPZUFKRKBX-SJLPKXTDSA-N 302.462 3.500 10 10 DGCE CC(C)[C@@H]1CC[C@@H]1NCc1cc(F)c(N2CCOCC2)c(F)c1 839144641 IUVFUSQDTIHVNE-YOEHRIQHSA-N 324.415 3.326 10 10 DGCE Cc1cc(O)c(CNCc2csc(N(C)C)n2)c(Cl)c1 840902387 OVVBAMZCPDZVMX-UHFFFAOYSA-N 311.838 3.166 10 10 DGCE CO[C@H](COC(=O)/C=C/c1ccc(O)c(O)c1)C1CCCCC1 849745222 MOOIRZDUCYFZPG-SYJIQKIWSA-N 320.385 3.250 10 10 DGCE C[C@H](N[C@@H]1CO[C@H](C2CC2)C1)c1cc2c(cc1O)CCCC2 858547092 ISCXTLLYBCPSOG-UVIMBBFXSA-N 301.430 3.489 10 10 DGCE CC[C@H](NCCOCC(=O)OC(C)(C)C)c1ccc(C)cc1O 866437761 NWNNZUOCHYFLER-HNNXBMFYSA-N 323.433 3.100 10 10 DGCE CCc1nc([C@H]2CCCCN2Cc2cc(F)cc(F)c2O)no1 893966438 AIPMJNWDEGIXBF-CYBMUJFWSA-N 323.343 3.343 10 10 DGCE COc1cc(Cl)cc(CNC[C@H]2CCC3(CCC3)O2)c1O 895677181 KCDLFBFOFDTSCQ-CYBMUJFWSA-N 311.809 3.246 10 10 DGCE CCN(C)c1ccc([C@H](C)NC[C@@]2(OC)CCSC2)cc1 903309489 FCSLMQQQTUDWDJ-YOEHRIQHSA-N 308.491 3.315 10 10 DGCE CCN(C)c1ccc([C@@H](C)NC[C@]2(OC(C)C)CCOC2)cc1 903359591 DPPBWRYBRSVLKJ-VQIMIIECSA-N 320.477 3.377 10 10 DGCE Oc1ccc(-c2nc(Br)c3ccccn23)cc1O 1082219849 ZEZGERYQSBUPRT-UHFFFAOYSA-N 305.131 3.175 10 10 DGCE C/C(=C\c1cccnc1)C(=O)N(C)c1cnc2ccccc2n1 1129363699 ZJPVUXHIULUGNA-JLHYYAGUSA-N 304.353 3.091 10 10 DGCE O=C(N[C@H](CCc1ccccc1)C(F)F)c1cccc(O)c1O 1300878991 SWQQBUUQZXGFBQ-CYBMUJFWSA-N 321.323 3.094 10 10 DGCE C[C@H](NCC(=O)NCc1ccc(Cl)cc1)c1ccccc1O 1460636586 IOHFEUXTNFDGBK-LBPRGKRZSA-N 318.804 3.013 10 10 DGCE C[C@@H](NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1O 1460640920 VOXHKOKRLCAPDM-SNVBAGLBSA-N 317.301 3.059 10 10 DGCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@@H]2C[C@@H]2C)c1 1540817788 FOQAFBKGAQUIQA-LRDDRELGSA-N 310.397 3.292 10 10 DGCE CCCOc1ccnc(NCCCSc2nccs2)n1 1611945621 ZYTONHVWXAMYLE-UHFFFAOYSA-N 310.448 3.316 10 10 DGCE C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1cccc(O)c1O 1621177342 YFPBDGRJTPQCMU-MGPLVRAMSA-N 315.344 3.290 10 10 DGCE Cc1cc(C)c(C(=O)NCc2cccc(Cl)c2O)cc1C=O 1640405265 OQUZKKYBHCLXPQ-UHFFFAOYSA-N 317.772 3.405 10 10 DGCE C/C(=C\c1ccc(F)cc1)C(=O)NCc1c(O)cccc1F 1652298401 JOPDFNLUQDFQHK-PKNBQFBNSA-N 303.308 3.390 10 10 DGCE Cc1cnc([C@H](N)c2ccc(N(C)C)cc2)c(Br)c1 1911220678 MZKNGRFSEOPRHA-CQSZACIVSA-N 320.234 3.267 10 10 DGCE CCOC(=O)[C@](C)(NCCN=[N+]=[N-])c1ccc(Cl)s1 1912166923 DMKRACJGTPAPGX-LLVKDONJSA-N 302.787 3.080 10 10 DGCE Cc1nc(Cl)nc(Cl)c1CCN(C)CCCN=[N+]=[N-] 1912181195 LEFDRTXLGCMCOG-UHFFFAOYSA-N 303.197 3.267 10 10 DGCE C[C@@H](CO)N(Cc1ccccc1)c1ccc(CN)c(Cl)c1 1914363326 HOTUNICRCSAJLO-ZDUSSCGKSA-N 304.821 3.186 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]([C@H](N)c2ccccc2O)CC1 1936967220 FOQMFXBQFUYGNL-ZENOOKHLSA-N 320.433 3.476 10 10 DGCE CN(C)[C@H](CNCc1ccc(Cl)cc1O)c1cccs1 1964018734 ARKFLYHQGXBEDO-CYBMUJFWSA-N 310.850 3.500 10 10 DGCE CCN1CCc2cc([C@](C)(O)COCc3ccccc3)ccc21 1977940233 WSMIRVGMRQVSKZ-HXUWFJFHSA-N 311.425 3.493 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCCN2c1ccc(N)cc1 1977977450 CDEUGXJSOOBIEM-JKSUJKDBSA-N 317.433 3.247 10 10 DGCE C[C@H](N)c1ccc(N(C)C[C@@H]2C[C@H]2F)c(Br)c1 2014705019 NVDUINPETOCLTI-PTOFAABTSA-N 301.203 3.263 10 10 DGCE C[C@H]1C[C@@H]1N(C)c1ccc(C=CC(=O)O)c(Br)c1 2052757369 QBDSAAWQYHHTBD-ZANVPECISA-N 310.191 3.392 10 10 DGCE CN1CCC[C@H]1CCC(=O)NCc1c(O)ccc2ccccc12 2063309743 PJUXWLQTLPXBKN-HNNXBMFYSA-N 312.413 3.036 10 10 DGCE O=C(NCc1c(O)cccc1O)C1(C(F)(F)F)CCCCC1 2064550426 LNRKQVWPPALMNJ-UHFFFAOYSA-N 317.307 3.227 10 10 DGCE C[C@H](Nc1ncc(Br)cc1N)c1ccccc1O 2072483523 FOYREWJNXADIGC-QMMMGPOBSA-N 308.179 3.305 10 10 DGCE Cc1cc(=NCc2cccc(C)c2O)[nH]cc1Br 2084056307 HBVOCMFGVLLYCO-UHFFFAOYSA-N 307.191 3.201 10 10 DGCE CCCN[C@H](c1ncc(Br)cn1)c1ccccc1O 2090038855 BBQLBGWUQAWYQO-ZDUSSCGKSA-N 322.206 3.034 10 10 DGCE CN(Cc1ccc(N)cc1)Cc1cc(O)ccc1Br 2092470822 YUYSPLDWSSKHLJ-UHFFFAOYSA-N 321.218 3.369 10 10 DGCE CN(C)CCCCN(C)Cc1cc(Cl)cc(Cl)c1O 2121374822 RWGCAVYSZYNMFB-UHFFFAOYSA-N 305.249 3.473 10 10 DGCE Oc1cccc(Cl)c1CN1CCOC[C@H]1CC(F)(F)F 2150468338 GLDNWLVWHQCFRK-SECBINFHSA-N 309.715 3.199 10 10 DGCE CN(C)c1ccc([C@H](CN)N2CCC(Cl)=C(Cl)C2)cc1 2153617595 ABYYFBWGXIFMLI-HNNXBMFYSA-N 314.260 3.147 10 10 DGCE CO[C@H]1CN(c2ccc([C@@H](C)N)cc2Cl)CC(F)(F)C1 2185153264 CWIFHAWRAYPQJG-MWLCHTKSSA-N 304.768 3.220 10 10 DGCE CO[C@@H]1CN(c2ccc([C@H](C)O)cc2Cl)CC(F)(F)C1 2185157690 JJSBPTZIHYYVKF-ONGXEEELSA-N 305.752 3.254 10 10 DGCE CCN(CCN=[N+]=[N-])C(=O)CCSCc1csc(C)n1 2362987411 CWHVCDXILDZIFF-UHFFFAOYSA-N 313.452 3.234 10 10 DGCE Oc1ccc(F)cc1CNC1(c2noc(C3CC3)n2)CCCC1 180599353 FOTCXIQXPGXOEY-UHFFFAOYSA-N 317.364 3.351 10 10 DGCE Nc1ccc(N2C(=O)c3cc(F)c(F)cc3C2=O)cc1Cl 211565189 SSCCFGZPUGUKTG-UHFFFAOYSA-N 308.671 3.001 10 10 DGCE CC[C@H]1CN(c2ccc(OC)c(Br)c2)[C@@H](C)CN1 227723658 YTKQVFMJHJLYCS-QWRGUYRKSA-N 313.239 3.034 10 10 DGCE Nc1ccc(CCNC(=O)[C@H]2CCCO[C@H]2c2ccccc2)cc1 237946172 DSXAJIKCWXVDSJ-OALUTQOASA-N 324.424 3.095 10 10 DGCE CCN1CCC(CCN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)CC1 273624129 ZWXLOTWHIUHQNP-ZDUSSCGKSA-N 321.421 3.073 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@H]1CCc2nc[nH]c2C1 377786531 VAPYVXXDKZUKEJ-JTQLQIEISA-N 312.200 3.069 10 10 DGCE CCOC[C@H]1CCCN(Cc2cc(Cl)c(F)cc2O)C1 295497449 YCQNDZZXOBPOPQ-NSHDSACASA-N 301.789 3.433 10 10 DGCE CC(=O)C(=O)COC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 808538520 USCMQJNDJCFNQA-UHFFFAOYSA-N 306.402 3.074 10 10 DGCE COc1ncccc1CCN[C@@H](C)c1c(C)cc(C)cc1O 294290339 MRUDWZLWKRWROO-AWEZNQCLSA-N 300.402 3.306 10 10 DGCE C[C@H](N[C@@H]1CCCCNC1)c1ccc(N2CCCCC2)cc1 817983509 FPJVKDWWVBFBLY-FUHWJXTLSA-N 301.478 3.470 10 10 DGCE CN(C)c1ccc(CN2CCO[C@H](CC(F)(F)F)C2)cc1F 827789273 WFGKEFFWKCJQSS-GFCCVEGCSA-N 320.330 3.045 10 10 DGCE CCOc1ccc(O)c(CN2C[C@]34CCCC[C@]3(COC4)C2)c1 827849630 GJQDCVHKVDYJIL-KDURUIRLSA-N 317.429 3.184 10 10 DGCE Cc1cc(O)c(CN2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)cc1C 840997405 DKTZJOSPWQZKSA-BPUTZDHNSA-N 303.402 3.227 10 10 DGCE CCc1cccc(CN[C@@H]2CCN(c3ccc(F)cc3)C2)c1O 848917390 FOTUASRWBVZNNP-QGZVFWFLSA-N 314.404 3.462 10 10 DGCE COc1ccc2c(c1)N(C(=O)/C(C)=C\c1cccnc1)C[C@@H](C)O2 846888206 GUYLULXEYVLJBL-RNQWEJQRSA-N 324.380 3.308 10 10 DGCE CCC(C)(C)CC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855232244 RRTDKSWPKQYXLC-CQSZACIVSA-N 304.434 3.216 10 10 DGCE Cc1ccc([C@H](C)N[C@@H]2CCC[C@@H]2Cc2cnn(C)c2)c(O)c1 850540584 NHESMJQFDMFLSP-YXJHDRRASA-N 313.445 3.496 10 10 DGCE Cc1cc(CN2CCc3nccnc3C2)c(O)c(C(C)(C)C)c1 853602949 NUJSZQHJVBHYLA-UHFFFAOYSA-N 311.429 3.346 10 10 DGCE CC[C@H](NCc1ccc(CNC(C)=O)cc1)c1ccccc1O 850484024 ASNYBICVLXWGEX-SFHVURJKSA-N 312.413 3.269 10 10 DGCE COc1ccc(N2CCN(c3nc(C)ccc3Cl)CC2)cc1 765002860 ZLGZQIZBTVXZRE-UHFFFAOYSA-N 317.820 3.379 10 10 DGCE C/C(=C/C1CCC(C)CC1)C(=O)NCc1cccc(O)c1O 1123890443 YSGWNSVDYVZXSO-RAXLEYEMSA-N 303.402 3.487 10 10 DGCE O=C(NCCCSc1nccs1)c1cc[nH]c1C1CC1 786159025 KECCQJAEKVUXPJ-UHFFFAOYSA-N 307.444 3.261 10 10 DGCE Oc1cc2c(cc1CN1CCOC[C@H](C3CCC3)C1)CCC2 793747231 VYSWYXFQJHNLGN-GOSISDBHSA-N 301.430 3.129 10 10 DGCE Nc1ccc(Cn2ccnc2Cc2cccc([N+](=O)[O-])c2)cc1 82734933 OXNONZRVOJTKGR-UHFFFAOYSA-N 308.341 3.013 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@]1(C)CC1(C)C 1312883729 DPRWUTUKOJPVJO-IFXJQAMLSA-N 317.477 3.480 10 10 DGCE CCCN(CCCN=[N+]=[N-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1962287967 PCUAJVXQRAYTMD-CYBMUJFWSA-N 311.430 3.408 10 10 DGCE C[C@H]1CNc2cc3c(cc2N1Cc1cccc(F)c1)OCO3 57925458 GXKBWOOAWFVLPZ-NSHDSACASA-N 300.333 3.375 10 10 DGCE CN(C)c1ccc(CN2CC[C@]23CCOC3)c(C(F)(F)F)c1 1325473267 DYTLXARTMCBRHE-OAHLLOKOSA-N 314.351 3.136 10 10 DGCE C[C@H](c1cc(Br)ccc1O)N1C[C@H](F)[C@H](F)C1 714558855 QLVIMZVOFUAEKN-ONOSFVFSSA-N 306.150 3.208 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)c1cscc1Br 692872267 KLFJVQLMYNKMPE-SSDOTTSWSA-N 315.196 3.426 10 10 DGCE Clc1cc(Cl)cc(NN=NCCCN2CCOCC2)c1 1860490690 SEPABHWNBWDULJ-UHFFFAOYSA-N 317.220 3.495 10 10 DGCE CN[C@@H](C)c1ccc(N2CCP(C)(=O)CC2)cc1Cl 2115349393 JWRPIYQGPHFZQG-NSHDSACASA-N 300.770 3.433 10 10 DGCE CCOc1cc(NCCCSc2nccs2)nc(C)n1 1611945055 NEGSTCJMIDDODO-UHFFFAOYSA-N 310.448 3.235 10 10 DGCE CCC(CC)[C@@H](CCNC(=O)NCc1cc(C)ccc1O)OC 1633429727 HLQNSNKPNZRTER-QGZVFWFLSA-N 322.449 3.341 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)[C@H]1Cc2ccc(F)cc21 1640919851 CIECMNQSZDGXNB-AWEZNQCLSA-N 305.736 3.141 10 10 DGCE CSc1cccc(NC(=O)c2ccc(N=NC(N)=O)cc2)n1 1654558087 CGGLNWIUNQSAPJ-UHFFFAOYSA-N 315.358 3.218 10 10 DGCE CCN1[C@@H](C)CN(Cc2cc(Cl)cc(C(C)=O)c2O)C[C@H]1C 1659228651 POVAHLQEXMADHV-TXEJJXNPSA-N 324.852 3.163 10 10 DGCE CCn1cc(Br)c(CN[C@@H](C)c2ccccc2O)n1 2124807151 BSFJUQLSUUZMRN-JTQLQIEISA-N 324.222 3.222 10 10 DGCE CCn1cc(Br)c(CN[C@H](C)c2ccccc2O)n1 2124807152 BSFJUQLSUUZMRN-SNVBAGLBSA-N 324.222 3.222 10 10 DGCE C[C@@H](NC(=O)N1Cc2cccc(O)c2C1)c1cc2cnccc2o1 1675508348 IKHKCGGEXFQOJI-LLVKDONJSA-N 323.352 3.320 10 10 DGCE c1ccc(-c2nnc(CNCc3ccc4c(c3)CCO4)s2)cc1 151250089 DQTYJXIPBCTUSR-UHFFFAOYSA-N 323.421 3.430 10 10 DGCE C[C@H](Oc1ccc(N)cc1)C(=O)NCc1ccc(Cl)cc1 1860081627 AKWFVYKWYXGNFU-NSHDSACASA-N 304.777 3.006 10 10 DGCE COCCNCc1ccc(N(C)[C@@H](C)CSC)c(Cl)c1 124249146 SGQVNNMWTUJKSF-LBPRGKRZSA-N 316.898 3.264 10 10 DGCE Cc1cc(C(=O)NCCCN=[N+]=[N-])c(Br)s1 1940029863 FJPVMIMTAMLRIB-UHFFFAOYSA-N 303.185 3.249 10 10 DGCE C[C@@H]1CCS[C@H]1CNCc1c(O)cccc1Br 1945606683 ALEALBVXTOUDEU-RNCFNFMXSA-N 316.264 3.386 10 10 DGCE C[C@@H](N)c1cnc(Sc2ncccc2Br)s1 1976520173 UQHXAKBLBBFXPO-ZCFIWIBFSA-N 316.249 3.472 10 10 DGCE C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1Cc1ccc(N)cc1 1977925379 HGRAEYXSKKNMNI-DZGCQCFKSA-N 319.449 3.004 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1Cc1ccc(N)cc1 1977925277 JLFDLZXNJXXEFE-ZIAGYGMSSA-N 319.449 3.099 10 10 DGCE Cc1cccc(O)c1CN[C@@H]1CC[C@H]1CNC(=O)OC(C)(C)C 1986709264 KFNXIUMWPHFVMQ-DZGCQCFKSA-N 320.433 3.094 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccccc2N)C2(CC2)C1 1986941618 YYSDXETYSVHTKN-HNNXBMFYSA-N 317.433 3.470 10 10 DGCE CC[C@@H]1C[C@@]1(NC(=O)OC(C)(C)C)[C@H](NC)c1ccccc1O 1994987071 HLLFBCCFRPDOIM-DWQUBVKVSA-N 320.433 3.346 10 10 DGCE CN1CCc2cc([C@]3(N)CCCN(Cc4ccccc4)C3)ccc21 1999506081 PXWJKRSCAQUXMT-NRFANRHFSA-N 321.468 3.129 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)c2ccc(Br)cc2)C1 403506865 AHPPYCHLZOSALJ-NSHDSACASA-N 309.167 3.364 10 10 DGCE CNCc1ccc(N(CCO)Cc2cccs2)c(Cl)c1 2171120415 VPNMTJRLWDWMDV-UHFFFAOYSA-N 310.850 3.120 10 10 DGCE CO[C@H]1CC(F)(F)CC[C@@H]1NCc1cccc(Cl)c1O 2162094754 RWWZOYFAKDLECJ-RYUDHWBXSA-N 305.752 3.338 10 10 DGCE CC[C@@H](c1ccc(C)cc1O)n1nc(C(F)F)c(C=O)c1N 2079062679 UFQXLVLBEXJAFG-NSHDSACASA-N 309.316 3.229 10 10 DGCE Nc1ccc(NC(=O)Nc2ncccc2Br)cc1 2071567986 FOOUSHVTUODQSG-UHFFFAOYSA-N 307.151 3.070 10 10 DGCE CSc1ncc(CN[C@@H]2CCN(Cc3ccccc3)C2)s1 2208424642 FBTRGQKPWMIPRI-CQSZACIVSA-N 319.499 3.229 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)c1ccccc1Br 2218740964 APEWCEVDQGAVOB-GHMZBOCLSA-N 309.167 3.410 10 10 DGCE C[C@@H](N)c1ccc(N2CC[C@H]3C[C@]3(F)C2)c(Br)c1 2222694686 SGQKYWZAJFQRAX-PUYPPJJSSA-N 313.214 3.407 10 10 DGCE CSc1ncc(CNC[C@]23CCCC[C@@H]2NCCC3)s1 2284709704 FQIWNRRUCNUPPO-DZGCQCFKSA-N 311.520 3.267 10 10 DGCE Cc1ccc(/C=C/C(=O)N2C[C@@H]3CCCN3c3ccccc32)cn1 492430064 SSXBKYYVJFHPNU-DVQDXYAYSA-N 319.408 3.419 10 10 DGCE Oc1ccc(Br)cc1CN[C@@H]1C[C@@H]2C[C@H]1[C@@H]1C[C@H]21 2309575658 RNOJMAXUNVQNNH-YPCYXAEESA-N 308.219 3.289 10 10 DGCE CCOC(=O)N1CCN(N=Nc2cc(Cl)ccc2C)CC1 2330173153 NYMFUBFFEWQRRW-UHFFFAOYSA-N 310.785 3.421 10 10 DGCE c1ccc(N2CCN(N=Nc3ccc4c(c3)OCO4)CC2)cc1 2330184942 SODRESMSNZTNSX-UHFFFAOYSA-N 310.357 3.236 10 10 DGCE CCC1=NN(Cc2ccccc2F)C(=O)C1=Cc1cccn1C 2332128778 BXRWSXULMMGMAJ-UHFFFAOYSA-N 311.360 3.356 10 10 DGCE Cc1ccc(CN(C)C(=O)[C@@H]2C[C@@H]2C)c(O)c1Br 2327627230 SZJPQQUJZCLSHJ-GXSJLCMTSA-N 312.207 3.078 10 10 DGCE CC[C@H]1CC[C@@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)O1 1352614320 AGNBSQMZRNAVER-ROUUACIJSA-N 316.445 3.203 10 10 DGCE Cc1c(N)c2ccccc2n1C(=O)[C@H](C)Cc1ccc(O)c(O)c1 170028179 LQOXZJGVCFVJEK-LLVKDONJSA-N 324.380 3.462 10 10 DGCE CCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 36099921 AKWDERAZGBAGHS-GOSISDBHSA-N 317.477 3.196 10 10 DGCE CCN(CC)CCCCN[C@H](C)c1ccc(F)c(F)c1O 187671951 PAWXFTKNGUALIS-GFCCVEGCSA-N 300.393 3.443 10 10 DGCE Cc1cccc(O)c1NC1=NC(=O)/C(=C\c2ccco2)S1 39869750 XCQKPUUHDPPLEM-XYOKQWHBSA-N 300.339 3.376 10 10 DGCE CCCc1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 183459185 FADBDOJHJOSJBN-CYBMUJFWSA-N 313.397 3.411 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)Nc1nc2cc(F)ccc2o1 184146912 FFNRXKMJJHWAJZ-VIFPVBQESA-N 302.305 3.421 10 10 DGCE Cn1c(-c2ccccc2)cnc1SC[C@H](O)CC(F)(F)F 189331913 BQBMHBIKYUFAPP-LLVKDONJSA-N 316.348 3.493 10 10 DGCE CC(C)N[C@](CSc1nccs1)(C(=O)O)[C@@H]1CC1(C)C 2366587055 OOZQYBDXULAYGR-YGRLFVJLSA-N 314.476 3.103 10 10 DGCE COc1ccc(N2CCN(CCc3cccs3)CC2)cc1 195312608 HRFZKVCSRJINEA-UHFFFAOYSA-N 302.443 3.121 10 10 DGCE Cc1csc2c(N[C@@H](C)Cc3ccc(O)c(O)c3)ncnc12 192757184 RZEPDMILEKKVQJ-JTQLQIEISA-N 315.398 3.454 10 10 DGCE CCN(C)c1ccc([C@H](C)N[C@@H]2CCCn3nc(C)nc32)cc1 90227352 LLPRDZWJTARCBV-SUMWQHHRSA-N 313.449 3.228 10 10 DGCE CCCN(C)c1ccc(CNCCOC)c(Br)c1 233011803 OEYHTDNWIWJLEU-UHFFFAOYSA-N 315.255 3.031 10 10 DGCE CC[C@H](C)[C@@H](C)NC(=O)/C=C\c1ccc(N2CCOCC2)cc1 255073294 IKXOIMXYPWJIPK-QUAUAXPMSA-N 316.445 3.087 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1C[C@H]1C 266811522 WHBFMNNWMYJLBP-GDBMZVCRSA-N 303.450 3.329 10 10 DGCE C[C@H](N[C@H](C)[C@H]1CCCCO1)c1ccc(N2CCOCC2)cc1 271949589 ZRGHJLGDYJKPFL-FRQCXROJSA-N 318.461 3.131 10 10 DGCE CC[C@H](NCc1ccc(N(CC)CC)cc1)[C@@H](O)C(F)F 294961107 DYLMEEILYPNTQL-LSDHHAIUSA-N 300.393 3.027 10 10 DGCE CCN(CC)c1ccc(CNC(=O)N[C@H]2CSC2(C)C)cc1 801745447 JOAANDNGUVURHV-HNNXBMFYSA-N 321.490 3.226 10 10 DGCE COCc1ccc(CN(C)c2ccc(OC)cc2OC)cc1 815076080 KOMYFKPDGWXHCF-UHFFFAOYSA-N 301.386 3.487 10 10 DGCE C[C@H](N[C@@H]1CCNC[C@@H]1C)c1ccc(Cl)c(Cl)c1O 817970787 FGLPYRMPUWVQGA-HOTUBEGUSA-N 303.233 3.348 10 10 DGCE Cc1ccccc1[C@H](O)CNCc1ccc(N2CC=CC2)cc1 819094550 HJGICOFPDIUTFA-HXUWFJFHSA-N 308.425 3.194 10 10 DGCE COCCCN(C)C(=O)Cc1cc(C)n(-c2ccccc2)c1C 823986317 HONXQZITLRDIHZ-UHFFFAOYSA-N 314.429 3.132 10 10 DGCE CCOc1ccc(O)c(CN2CCOCC23CCCCC3)c1 825099076 UCUMOKIFACBBJU-UHFFFAOYSA-N 305.418 3.326 10 10 DGCE CN(C)c1ccc(/C=C\CN2CC[C@@H]3[C@@H](CCCN3C)C2)cc1 835030457 YEHVCRBYEANRCM-JBJGNSMKSA-N 313.489 3.182 10 10 DGCE Oc1c(Br)cccc1CN1CC2(CC(F)C2)C1 839139754 KYBDQFGACOUYEZ-UHFFFAOYSA-N 300.171 3.089 10 10 DGCE CN(Cc1ccc(N2CCCCC2)cc1)Cc1cc2n(n1)CCC2 844268818 CVRUFSLMXALUOA-UHFFFAOYSA-N 324.472 3.452 10 10 DGCE C[C@H](NC(=O)NC[C@H]1CCC[C@@H](C)O1)c1ccc(N(C)C)cc1 852261108 KSCDXGWCKJMRAW-JKIFEVAISA-N 319.449 3.070 10 10 DGCE C[C@H](CC(=O)NCCCSc1nccs1)C(F)(F)F 859353064 ZJLZRAYJQVQFKH-MRVPVSSYSA-N 312.382 3.330 10 10 DGCE O=C(Nc1nc2ccccc2n1CC1CC1)c1cc(O)cs1 928461541 CYRVGIHWBIXGBO-UHFFFAOYSA-N 313.382 3.466 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC2CC1(C)C2 854177521 YJMXOBXMCUNOCQ-TZGCNFNXSA-N 315.461 3.186 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CC3(CCC3)OC[C@H]2C)c1O 852441998 VVDHRPYMSSMZKM-LLVKDONJSA-N 323.820 3.392 10 10 DGCE COCC1CCC(N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 850346758 JAPIZVILJCUSMH-OFLPRAFFSA-N 318.461 3.069 10 10 DGCE CCOCc1cc(CNC[C@@H]2CCN2C(C)(C)C)ccc1OC 850342226 DPGSRUYGLUVDGM-KRWDZBQOSA-N 320.477 3.194 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2oc(CC(C)C)nc2C)c1 862757507 WRWLCXISELOPCL-UHFFFAOYSA-N 302.374 3.126 10 10 DGCE COc1cccc([C@@H](C)NC[C@@H]2c3ccccc3CN2C)c1O 866561898 AYTSOBBOVGTRFV-CXAGYDPISA-N 312.413 3.238 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CCCC[C@@H]2F)c1 868919119 XOBJHBCLQLDTTH-DDTOSNHZSA-N 310.369 3.042 10 10 DGCE COc1cc(CN2CCC[C@@]3(CCCOC3)C2)c(O)cc1C 768464171 OAGUOJVDMFJPRA-GOSISDBHSA-N 305.418 3.102 10 10 DGCE CN(CCCCO)Cc1cc(Cl)cc(Br)c1O 894538845 NHYDZKWSCVWFSM-UHFFFAOYSA-N 322.630 3.012 10 10 DGCE COC1(CNCc2c(O)cccc2Cl)CCSCC1 1879927980 NEPRSMHDKCZBFD-UHFFFAOYSA-N 301.839 3.047 10 10 DGCE CN(C)c1ccc(CN[C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1 798491537 AORPQRUTOFJVSI-KZNAEPCWSA-N 302.462 3.438 10 10 DGCE COc1cc(Br)cc(CN2[C@H](C)C[C@H]2C)c1O 793220121 JYPKDPQHAFWEKH-RKDXNWHRSA-N 300.196 3.146 10 10 DGCE CC[C@H](NCCc1c(C)nn(C)c1C)c1ccc(F)cc1O 796685641 ZPTCEYWLWBCRNJ-INIZCTEOSA-N 305.397 3.165 10 10 DGCE CCCN(CCN=[N+]=[N-])C[C@H]1CCCN1C(=O)OC(C)(C)C 1962299427 MYXCXGZGIDNOGW-CYBMUJFWSA-N 311.430 3.408 10 10 DGCE C[C@H]1CN(CCCCN=[N+]=[N-])C[C@@H](C)N1C(=O)OC(C)(C)C 1962301172 UNOKLSOCYDWQIH-BETUJISGSA-N 311.430 3.407 10 10 DGCE Cc1ccc(O)c(CNC(=O)[C@@H](O)C2CCCCCCC2)c1 1167293382 AKENQCKDQOPNSP-KRWDZBQOSA-N 305.418 3.038 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)NOC/C=C\Cl 1251657557 LJXHFNZSIROYNP-WTKPLQERSA-N 323.824 3.112 10 10 DGCE CCC[C@H](C)c1cc(NC(=O)c2ccc(C)c(O)c2O)n[nH]1 1299914855 FRQYRQFRUYFOIV-VIFPVBQESA-N 303.362 3.285 10 10 DGCE O=C(NCc1ccc(O)cc1O)c1cc(Cl)sc1Cl 1299571146 RHGFMFUHFSMDFG-UHFFFAOYSA-N 318.181 3.396 10 10 DGCE C[C@@](Cc1ccccc1)(NC(=O)c1cccc(O)c1O)C1CC1 1469072504 FQLGTJILYYQBOT-IBGZPJMESA-N 311.381 3.239 10 10 DGCE Cc1oc2ccccc2c1CC(=O)NCc1c(O)cccc1F 1558454162 AOKLFCXNBDBSCQ-UHFFFAOYSA-N 313.328 3.445 10 10 DGCE C/C(=C\c1cccnc1)C(=O)NCc1cc(Cl)ccc1O 1639965648 NRVWSJGCTPNNSZ-YRNVUSSQSA-N 302.761 3.160 10 10 DGCE Cc1cc([N+](=O)[O-])cnc1NCc1ccc2cccnc2c1O 1651958812 KRRKXWRYQPXCBX-UHFFFAOYSA-N 310.313 3.164 10 10 DGCE CN(Cc1ccsc1)C(=O)c1ccc(N=NC(N)=O)cc1 1588171899 AZDZKEMLELPZHA-UHFFFAOYSA-N 302.359 3.183 10 10 DGCE COC(=O)/C=C\c1ccc(N2C[C@H]3CCC[C@H]2C3)c([N+](=O)[O-])c1 1652304269 CCUXPPRTXSSBRM-KQYOJSHESA-N 316.357 3.160 10 10 DGCE CSC[C@H](C)N(C)c1c(F)cc(C=CC(=O)O)cc1F 1912119612 FLRKPHCCWVMEOC-VIFPVBQESA-N 301.358 3.250 10 10 DGCE CC[C@@H](CO)[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1927309741 ORKHIIAKZQBLBZ-BBRMVZONSA-N 322.449 3.337 10 10 DGCE COCCNCc1ccc(N(C)[C@@H]2CCSC2)cc1Cl 234673011 WYENZZPLGODNKQ-CQSZACIVSA-N 314.882 3.018 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN1Cc1cnsc1Br 1984485962 ULVYHDRVJAWSLO-QMMMGPOBSA-N 302.201 3.180 10 10 DGCE C[C@H](O)c1ccc(N2CCOC[C@@H]2C(F)(F)F)cc1Cl 2150363472 XKXSDFCZZOCYLA-QPUJVOFHSA-N 309.715 3.161 10 10 DGCE CC[C@@H](N)Cc1cnc(Sc2nc3ccccc3[nH]2)s1 2155360064 FMCPBEZXLDBVQZ-SECBINFHSA-N 304.444 3.450 10 10 DGCE CCC1(N)CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 714753195 ICXQCXWRTBDNSA-UHFFFAOYSA-N 303.233 3.402 10 10 DGCE CCS[C@@H]1CCN(c2ccc(CN)cc2Br)C1 382928484 FBMMNLHZNUZWDL-LLVKDONJSA-N 315.280 3.240 10 10 DGCE CN1CC[C@H]2CN(Cc3cc(Cl)cc(Cl)c3O)C[C@@H]2C1 383345525 XZZBFSGBNQBPOD-JQWIXIFHSA-N 315.244 3.083 10 10 DGCE CCOC(=O)c1cc(CC)nn1[C@@H](C)c1ccc(F)cc1O 2069882262 PFFFCQRVOMBJPC-JTQLQIEISA-N 306.337 3.076 10 10 DGCE COc1ccc(Cn2nc(C3CCCCC3)cc2N)c(O)c1 2070156791 JLWQOGBNKVSYPT-UHFFFAOYSA-N 301.390 3.276 10 10 DGCE CO[C@@H]1CC[C@@H](CNCc2c(O)cccc2Br)C1 2054474898 NCPDHJIRJKKRSV-GHMZBOCLSA-N 314.223 3.059 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)c2ncc(Cl)cc2Cl)C1 2107114910 UDNLOXVKOYYVRU-MRVPVSSYSA-N 300.149 3.303 10 10 DGCE CCN[C@H](c1ccccc1O)c1c(Br)cnn1CC 2094275701 YLDIFGIYOGCRJQ-CYBMUJFWSA-N 324.222 3.070 10 10 DGCE CC[C@H](N)Cc1cnc(Sc2nc3ncccc3o2)s1 2234035734 QTLKPZLOZNBTOM-QMMMGPOBSA-N 306.416 3.110 10 10 DGCE Cc1ccc(Br)c(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])n1 2225797784 GYGFPICIQHTPTI-ZJUUUORDSA-N 324.182 3.114 10 10 DGCE CN(c1ccc(CN)cc1Br)[C@@H]1CC2C[C@@H]3C1[C@@H]3C2 2264478471 KOUHIBLCIXCMGR-DRIQLJMLSA-N 321.262 3.389 10 10 DGCE CSc1ncc(CNC(=O)c2ccc(O)c(Cl)c2)s1 2269094437 SDPKMPKXAKJAQV-UHFFFAOYSA-N 314.819 3.154 10 10 DGCE CCC[C@@](O)(CNCc1cnc(SC)s1)C(F)(F)F 2269193546 MQRMBTOIDOPELH-SNVBAGLBSA-N 314.398 3.048 10 10 DGCE O=C1N=C(N2CCCCCC2)SC1=Cc1ccccc1O 2296665659 DHDPQLHDIHKBLD-UHFFFAOYSA-N 302.399 3.239 10 10 DGCE O=C1C(=Cc2ccncc2)SC(=S)N1Nc1ccccc1 2296762230 WPEIBXMRVIDMLJ-UHFFFAOYSA-N 313.407 3.310 10 10 DGCE O=C(C=Cc1ccc(Cl)nc1)N1CCSc2ncccc21 2304527877 PZUKJXKYYZSJFW-UHFFFAOYSA-N 317.801 3.282 10 10 DGCE COc1ccc(Br)c(CN2C[C@H](F)C[C@H]2C)c1O 1231547855 KMJISYDGKFBDJN-RKDXNWHRSA-N 318.186 3.096 10 10 DGCE Cn1ccc2cccc(NC(=O)C=Cc3ccc(O)c(O)c3)c21 2311330024 HMXQHSGEUMSQOU-UHFFFAOYSA-N 308.337 3.241 10 10 DGCE CCOC(=O)N1CCN(N=Nc2cccc(Cl)c2C)CC1 2330173616 XKGDQZXXBJYWCC-UHFFFAOYSA-N 310.785 3.421 10 10 DGCE Fc1ccc(F)c(N=NN2CCN(c3ccccn3)CC2)c1 2330252045 UVJZQFJLGHQOGU-UHFFFAOYSA-N 303.316 3.181 10 10 DGCE CCC1=NN(CC(C)C)C(=O)C1=Cc1ccc(OC)c(O)c1 2332100157 REWOQHNHVRCRHE-UHFFFAOYSA-N 302.374 3.048 10 10 DGCE Cc1cccc(N2C(=O)[C@H](CN3CCCCC3)SC2=S)c1 5755419 FXFFWPIYVAESOW-AWEZNQCLSA-N 320.483 3.214 10 10 DGCE COC(=O)/C=C/c1ccc(N(C)Cc2ccco2)c([N+](=O)[O-])c1 29069958 OIFIVERGRAJWIJ-SOFGYWHQSA-N 316.313 3.010 10 10 DGCE COc1ccccc1NC[C@H](O)COc1cccc(Cl)c1 32208753 PGFVUCKMCBUCAW-ZDUSSCGKSA-N 307.777 3.200 10 10 DGCE C[C@@H](Nc1cc(C(N)=O)ccc1Cl)c1ccc(O)cc1O 36943468 OILJDUVGADRPLL-MRVPVSSYSA-N 306.749 3.023 10 10 DGCE C[C@@H](NC(=O)COc1ccc(N)cc1)c1cccc(Cl)c1 40311543 CTSONQPMSSJURC-LLVKDONJSA-N 304.777 3.178 10 10 DGCE CCN(CC)CCCCNCc1cc(Cl)cc(OC)c1O 76274286 WUMAJVFFOMNJBJ-UHFFFAOYSA-N 314.857 3.266 10 10 DGCE Cc1ccc(O)c(CN2CCO[C@H](c3nc(C)cs3)C2)c1 92790242 JBHIKFCEDDQJFU-HNNXBMFYSA-N 304.415 3.039 10 10 DGCE COc1cccc(CNCc2cnc(CC(C)C)s2)c1O 119806812 RTLCAHAATZCCPF-UHFFFAOYSA-N 306.431 3.346 10 10 DGCE Nc1ccc(CCNCc2sccc2Br)cc1 148349255 AWYVLQQBZNZMGQ-UHFFFAOYSA-N 311.248 3.425 10 10 DGCE C[C@@H](c1ccccc1O)N(C)C(=O)c1cccc(N)c1Cl 160284013 BZBKNRXDALAEAC-JTQLQIEISA-N 304.777 3.461 10 10 DGCE CCNCc1ccc(N(CC)CCCO)cc1C(F)(F)F 165258194 NZHAVMCZZODGCO-UHFFFAOYSA-N 304.356 3.024 10 10 DGCE CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F 175507203 WAMWPYAJUJXZTO-DZGCQCFKSA-N 317.335 3.433 10 10 DGCE OC1[C@H]2CCC[C@H]1CN(Cc1ccc(N3CCCCC3)cc1)C2 179744427 PPGJZPXJHLKPQO-ROUUACIJSA-N 314.473 3.270 10 10 DGCE CN(Cc1cc(Cl)cc(Cl)c1O)C[C@H]1CCCCN1 234285233 NEBHAHQYQWWFAO-GFCCVEGCSA-N 303.233 3.273 10 10 DGCE CNCc1ccc(N2C[C@H]3CCC[C@@H]3C2)c(Br)c1 234437167 YASAVKWJOFTTSK-CHWSQXEVSA-N 309.251 3.405 10 10 DGCE C[C@@H]1CN(Cc2ccccc2O)C[C@@H](c2ccc(F)cc2)O1 245613238 OQWSDWPCDTWDQZ-ACJLOTCBSA-N 301.361 3.493 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCOC[C@@H]2C)cc1 278347821 AQJUIXWHDULERV-SCLBCKFNSA-N 312.413 3.249 10 10 DGCE C[C@H](NCc1ccnc(OC(F)F)c1)c1ccc(F)cc1O 284370285 NQGGKQLIFDYTRM-VIFPVBQESA-N 312.291 3.379 10 10 DGCE COc1ccc(O)c(CNC[C@@H](C)COCc2ccccc2)c1 389939561 MAAOMOAQZZIQAM-OAHLLOKOSA-N 315.413 3.343 10 10 DGCE CS[C@@H]1CC[C@H]1NCc1cc(Br)ccc1O 390573308 VNHRNJRKUQTWCP-ZYHUDNBSSA-N 302.237 3.138 10 10 DGCE Nc1ccc(CC[C@@H](O)c2cnc(C(F)(F)F)s2)cc1 695883061 PCSNCXAHKRDOCB-SNVBAGLBSA-N 302.321 3.410 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)c1nc(Cl)ccc1Cl 701322485 AWWQHDDPFVAKCH-SSDOTTSWSA-N 300.149 3.303 10 10 DGCE CN(Cc1c(O)cccc1Br)[C@@H]1COC(C)(C)C1 707137924 ACZDLMHQMXLRHK-JTQLQIEISA-N 314.223 3.154 10 10 DGCE Oc1c(F)cc(Br)cc1CNCC1C[C@@H]2C[C@H]2C1 715716132 CVGMXFMUCXWYOD-NXEZZACHSA-N 314.198 3.430 10 10 DGCE CO[C@@H]1CC[C@H]1N(C)c1ccc([C@H](C)N)c(Br)c1 724225511 XJQMFHPBDKPRKK-CUOATXAZSA-N 313.239 3.082 10 10 DGCE O=C(CCCc1cc(F)ccc1F)NCc1ccccc1O 761957624 SZZLHEDSYFURSG-UHFFFAOYSA-N 305.324 3.310 10 10 DGCE CO[C@@H](C)c1nsc(NCc2c(O)ccc3c2CCCC3)n1 800854680 PTTQLJMEEZVNTR-JTQLQIEISA-N 319.430 3.442 10 10 DGCE Oc1ccc(Br)cc1CNCCCc1ccccn1 822112805 LUJDAXJWEUSMIA-UHFFFAOYSA-N 321.218 3.272 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)NC1C[C@@H]2C[C@H]2C1 824858185 ACYMMLUIKNJYNF-GJZGRUSLSA-N 301.434 3.083 10 10 DGCE CCc1cc(CCCN[C@@H](C)c2cc(OC)ccc2O)on1 828682745 SBDYRWDXWKGXEE-LBPRGKRZSA-N 304.390 3.235 10 10 DGCE CN(C)c1ccc(/C=C\CNC2CCC3(CC2)OCCO3)cc1 835035028 GDJUDMSQIYPLAD-ARJAWSKDSA-N 316.445 3.041 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@](C)(F)C1 838478928 NVAYDAIOIIZQEZ-QGZVFWFLSA-N 307.413 3.095 10 10 DGCE COc1c(C)cccc1CNCc1ccc(N(C)C)c(F)c1 848565562 YKTYUVKEDDICBX-UHFFFAOYSA-N 302.393 3.499 10 10 DGCE C[C@H](N[C@H]1C[C@@H](C)n2ncnc21)c1cc2c(cc1O)CCCC2 850499607 SPWWDTMQZUGBQJ-WQGACYEGSA-N 312.417 3.219 10 10 DGCE Cc1ccc([C@H](C)N[C@@H]2C(=O)N(C)Cc3ccccc32)c(O)c1 857875348 KVWGWWHCVGDWNU-UGSOOPFHSA-N 310.397 3.065 10 10 DGCE CCOC(=O)C1=CC[C@@H](N[C@@H](CC)c2ccc(N(C)C)cc2)C1 858505595 NCOGGOHJMBCLGV-AEFFLSMTSA-N 316.445 3.445 10 10 DGCE COc1cccc([C@H](C)NC[C@@H]2c3ccccc3CN2C)c1O 866561901 AYTSOBBOVGTRFV-SUMWQHHRSA-N 312.413 3.238 10 10 DGCE CCOc1ccc(O)c(CNC[C@@H]2CCC3(CCC3)CO2)c1 886318369 RGPXFXQPWHZPEP-INIZCTEOSA-N 305.418 3.230 10 10 DGCE CC[C@@H](CN[C@@H](C)c1cccc(OC)c1O)C(=O)OC(C)(C)C 903352248 CCVJWUASWAGISG-STQMWFEESA-N 323.433 3.419 10 10 DGCE CCN(CC)c1ccc(CNC(=O)c2cc(C=O)oc2C)cc1 1119756493 NCYBTDWOQFPAKD-UHFFFAOYSA-N 314.385 3.177 10 10 DGCE Cc1cccc(Cl)c1C(=O)NCCc1ccc(O)c(O)c1 1137464603 HOQRHEQVAVWKBN-UHFFFAOYSA-N 305.761 3.032 10 10 DGCE Oc1cccc(Br)c1CN1CCCC[C@H](F)C1 1140098933 ULAQBXNOSRMSKR-JTQLQIEISA-N 302.187 3.479 10 10 DGCE Cc1cc(OCC(=O)N2Cc3cccc(O)c3C2)ccc1Cl 1152565459 LXVBROCBOFDHFM-UHFFFAOYSA-N 317.772 3.275 10 10 DGCE C[C@H](N[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1)c1ccccc1O 1168819984 XABWROMBTCSVEX-HZSPNIEDSA-N 320.433 3.441 10 10 DGCE O=C(Cc1c[nH]c2ccc(F)cc12)N1Cc2cccc(O)c2C1 1175029561 HWZODTYHTSACIP-UHFFFAOYSA-N 310.328 3.098 10 10 DGCE CSc1ccc(NC(=O)CN[C@@H](C)c2ccccc2O)cc1 1175425398 AKXYKYZVMWAQJJ-LBPRGKRZSA-N 316.426 3.403 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)c1cc(F)ccc1[N+](=O)[O-] 1300397752 AUNMYETYICVCRK-UHFFFAOYSA-N 324.695 3.023 10 10 DGCE COc1ccc(CNC[C@@H](C)CNC(=O)CC2CCC2)cc1C 1319174576 SNIQYEQNLITORJ-CQSZACIVSA-N 318.461 3.036 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@]1(C)CCCOC1 1356265097 AISHYJCUJAMAMV-IBGZPJMESA-N 316.445 3.062 10 10 DGCE Cc1ccc(CC(=O)NCc2c(O)ccc3ccccc23)cn1 1456312544 TVXCYXQIJOSWTJ-UHFFFAOYSA-N 306.365 3.108 10 10 DGCE Cc1nccc(NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)n1 1458392541 IFNYYQGUBVGYTD-UHFFFAOYSA-N 320.396 3.374 10 10 DGCE COC(=O)c1cnc(Sc2cnc3ccccc3n2)s1 1472791299 FBAHNQQFMMEQRD-UHFFFAOYSA-N 303.368 3.024 10 10 DGCE Cc1ccc2[nH]c(C(=O)NCc3cc(O)ccc3O)cc2c1C 1644753539 CQFWSHWDLSHHNE-UHFFFAOYSA-N 310.353 3.126 10 10 DGCE CC(C)(C)c1ccc(CC(=O)NCc2cc(O)ccc2O)cc1 1644754279 UUKKUEGFIUDQFJ-UHFFFAOYSA-N 313.397 3.254 10 10 DGCE O=C(c1c(F)ccc(O)c1O)N1CC[C@@H](c2cccc(F)c2)C1 1650978459 COOXBYKPGNKAPQ-LLVKDONJSA-N 319.307 3.006 10 10 DGCE CC/C=C(/C)C(=O)N(C)CCCNCc1ccc(OC)c(C)c1 1733090754 YQMKREQRIBJROM-NVNXTCNLSA-N 318.461 3.298 10 10 DGCE Nc1ccc(OCC(=O)Nc2cccc3c(O)cccc23)cc1 1860077658 BJYPLXZIHCQRCE-UHFFFAOYSA-N 308.337 3.145 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@@H]1C[C@@H]2C[C@H]2CO1 1875664351 TXLPYTFZWBTAFV-PEXQALLHSA-N 302.201 3.214 10 10 DGCE C[C@H]1CC[C@@](CO)(NCc2cc(Cl)cc(Cl)c2O)C1 1880896789 FOOLVYNAKWCESX-LKFCYVNXSA-N 304.217 3.340 10 10 DGCE Cc1cccc(O)c1CN[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C 1894376966 PSICHERRSKGBHE-HIFRSBDPSA-N 320.433 3.046 10 10 DGCE CN(CCCCN=[N+]=[N-])CCC1CN(C(=O)OC(C)(C)C)C1 1911086219 VWOSJTBWQKUVHI-UHFFFAOYSA-N 311.430 3.266 10 10 DGCE C[C@H](CCNC(=O)OC(C)(C)C)C[C@H](N)c1ccccc1O 1928468373 VSMOLKUYYPFBBL-OCCSQVGLSA-N 308.422 3.333 10 10 DGCE CCN[C@H](c1ccccc1O)[C@H](C)CNC(=O)OC(C)(C)C 1928468765 AAYVYPXZRYSMAI-DOMZBBRYSA-N 308.422 3.204 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]([C@H](N)c2ccccc2O)C1 1928471552 LAOIKNYCCDVNFC-ZOWXZIJZSA-N 306.406 3.085 10 10 DGCE OCc1ccc(N2CCS[C@H]3CC[C@H]32)c(Br)c1 1946790840 KIHXUZBQWZSOBG-OLZOCXBDSA-N 314.248 3.026 10 10 DGCE COc1cc2c(cc1OC)N(Cc1csc(Cl)n1)CC2 1970279556 CUUMDAOTHRMCBS-UHFFFAOYSA-N 310.806 3.376 10 10 DGCE C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1Cc1ccc(N)cc1 1977925380 HGRAEYXSKKNMNI-HIFRSBDPSA-N 319.449 3.004 10 10 DGCE CN(C)c1ccc([C@]2(O)CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 1977938171 HBDHPGFCQAVHFR-KSSFIOAISA-N 320.433 3.017 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN1Cc1cnsc1Br 1984485961 ULVYHDRVJAWSLO-MRVPVSSYSA-N 302.201 3.180 10 10 DGCE CN(CC(C)(C)CNCc1ccccc1O)C(=O)OC(C)(C)C 1993819164 XRLJVHFEVKXTTH-UHFFFAOYSA-N 322.449 3.375 10 10 DGCE CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)NCc1cccc(C)c1O 1994450144 PSCPMAWFACWVMK-HIFRSBDPSA-N 322.449 3.482 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(Cc2cc(Br)sn2)C1 1994460119 RHOAYWTUUVZPAW-ZETCQYMHSA-N 302.201 3.180 10 10 DGCE CCC1(N(C)c2cc(Br)c(CN)cc2F)CC1 2003351525 SKBLBACLJTZVRI-UHFFFAOYSA-N 301.203 3.426 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@@H]3C[C@@H]3[C@H]3C[C@@H]32)cc1Br 2053731500 WKYOMPVZTNEWKI-RNOGGXLWSA-N 307.235 3.313 10 10 DGCE CC(C)Cc1cc(C(=O)O)n(Cc2cccc(Cl)c2O)n1 2069883846 NIAATTQTPHVELE-UHFFFAOYSA-N 308.765 3.187 10 10 DGCE CC1(c2nn(Cc3c(O)cccc3F)c(N)c2C2CC2)CC1 2079768675 DZKHXYJJJBTHLD-UHFFFAOYSA-N 301.365 3.287 10 10 DGCE CCCCN(CC(=O)O)Cc1cc(Cl)cc(Cl)c1O 2095208667 ARZKYKXSSYMVFC-UHFFFAOYSA-N 306.189 3.386 10 10 DGCE CN(c1ccc(CO)cc1Br)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21 2116352318 AOAIPPMITXBXIY-ZRTFPUAOSA-N 322.246 3.422 10 10 DGCE Nc1cccc(Br)c1N[C@@H]1CCN(C2CCCC2)C1 2116452146 PJSJYIXAFXUFJH-LLVKDONJSA-N 324.266 3.460 10 10 DGCE C[C@H]1CNC(C)(C)CN1Cc1cc(Cl)cc(Cl)c1O 2133663048 MQLUOGXVVUGAMV-VIFPVBQESA-N 303.233 3.271 10 10 DGCE C[C@H](c1cc(Cl)ccc1O)N1CCC[C@@]12CC[S@@](=O)C2 2158513103 YIUFEGPABKGJLB-LQGCGHSZSA-N 313.850 3.094 10 10 DGCE NC[C@H]1CN(c2ncc(Cl)cc2Cl)Cc2ccccc21 2176215296 HHGSHKFKOSTJTG-NSHDSACASA-N 308.212 3.451 10 10 DGCE Oc1c(CNc2cnccc2Br)ccc(F)c1F 2264150697 IQKLJCAOZAEXPO-UHFFFAOYSA-N 315.117 3.440 10 10 DGCE CN[C@H](C)c1ccc(N2CC(P(C)(C)=O)C2)cc1Cl 2270657551 ACQPZDBBIHQMPN-SNVBAGLBSA-N 300.770 3.432 10 10 DGCE [N-]=[N+]=NC[C@H]1CCN(C(=O)c2c(Cl)ccc(Cl)c2N)C1 2286895709 GANHABGXKBMALR-SSDOTTSWSA-N 314.176 3.348 10 10 DGCE CN[C@@H](C)c1ccc(N2C[C@@H](F)[C@H](F)C2)c(Br)c1 2309379703 CANXBVSCGNBAQF-XXILOJSOSA-N 319.193 3.226 10 10 DGCE O=C1Nc2ccc(C(=O)O)cc2C1=Cc1c[nH]c2ccccc12 2328360601 KYLWJYIBALRYNI-UHFFFAOYSA-N 304.305 3.359 10 10 DGCE C[C@H](N)c1ccc(N2Cc3cccnc3C2)cc1Br 2336968435 BZUVTRGXYLRBRK-JTQLQIEISA-N 318.218 3.384 10 10 DGCE CCCCC1(C)OC(=O)C(=Cc2cc(Cl)ccc2O)C(=O)O1 58833850 IFPZWHOIQZAEPY-UHFFFAOYSA-N 324.760 3.435 10 10 DGCE Cc1ccc(Cl)cc1OC[C@@H](O)COc1ccc(N)cc1 88729152 PGYGRCFEKRVKAT-AWEZNQCLSA-N 307.777 3.049 10 10 DGCE CCn1cc(C2CCN(Cc3ccc(N(C)C)cc3)CC2)cn1 92809100 JGVLCWVDWVTXPN-UHFFFAOYSA-N 312.461 3.349 10 10 DGCE CCCn1ncc(Cl)c1[C@H](NC)c1ccc(N(C)C)cc1 97422999 UXAGKZQHLVDZSZ-OAHLLOKOSA-N 306.841 3.321 10 10 DGCE CN(Cc1cc(Cl)cc(Cl)c1O)C1C[C@@H]2CC[C@@H](C1)N2 103984769 MKEKQAXECZUKIR-RYUDHWBXSA-N 315.244 3.414 10 10 DGCE CC(C)(O)CN(Cc1cccs1)c1ccc2c(c1)OCCO2 121284286 ILUXVJIMYXIROG-UHFFFAOYSA-N 319.426 3.297 10 10 DGCE COc1ccc(N(C)CC(=O)NC2CCCCC2)cc1Cl 121880850 NZEYFBIXWDJTKA-UHFFFAOYSA-N 310.825 3.234 10 10 DGCE CSCCN(C)c1ccc([C@@H](C)N)cc1Br 167511525 HVDCFDDKXDEGIG-SECBINFHSA-N 303.269 3.268 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)C(=O)Nc1ccc2ocnc2c1 170022271 HWHFZHVIGXWWLR-SNVBAGLBSA-N 312.325 3.056 10 10 DGCE C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)C1CCCC1 172701933 IKZXIURUMHQEKM-HNNXBMFYSA-N 313.445 3.441 10 10 DGCE CCN(C)c1ccc([C@@H](C)Nc2cnn(CCOC)c2)cc1 182465092 DSBQDPHWMCVKNF-CQSZACIVSA-N 302.422 3.159 10 10 DGCE Cc1cnc(CNC(=S)Nc2ccc(C)cc2N)c(C)c1 244305036 XAAOXROSJULFFC-UHFFFAOYSA-N 300.431 3.076 10 10 DGCE O=Cc1sc2c(I)cccc2c1O 306716499 FVKNVWLUSRDMCT-UHFFFAOYSA-N 304.108 3.024 10 10 DGCE C[C@H](N[C@H](C)c1ccccc1O)c1nnc2n1CCCCC2 315081761 AHPXWKGKRZDQAK-OLZOCXBDSA-N 300.406 3.122 10 10 DGCE Cc1ccc(OCc2ccc(Br)cc2C#N)c(N)n1 394097820 XFEBBGSRHYIGEW-UHFFFAOYSA-N 318.174 3.185 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)c1cscc1Br 692872271 KLFJVQLMYNKMPE-ZETCQYMHSA-N 315.196 3.426 10 10 DGCE COc1cc(Br)ccc1NCc1cccc(O)c1O 712292737 MYTUQAPTSCMRFY-UHFFFAOYSA-N 324.174 3.481 10 10 DGCE CN(C(=O)c1cccc(O)c1O)c1ccc(Br)cc1 723916322 UETHKBVWCCBRGM-UHFFFAOYSA-N 322.158 3.137 10 10 DGCE CCN(CC)c1ccc(CNC(=O)NC[C@H]2C[C@@H]2C)cc1F 731364177 SOTWTUMOMPFHEF-GXTWGEPZSA-N 307.413 3.127 10 10 DGCE O=C(NCc1nc2ccccc2n1C1CC1)c1cc(O)cs1 760458582 KAFSJNSVJASYMV-UHFFFAOYSA-N 313.382 3.068 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)c1nc(Cl)cs1 789996903 WJIZHBJVQXGQFN-UHFFFAOYSA-N 322.817 3.311 10 10 DGCE Fc1cc(CN[C@@H]2CC[C@H]2C2CCC2)ccc1N1CCOCC1 800968129 XQAHQCOIJXQIMH-FUHWJXTLSA-N 318.436 3.331 10 10 DGCE CSCCCC(=O)NCc1cc(Cl)cc(Cl)c1O 807839003 UWOBXOSXOASTKG-UHFFFAOYSA-N 308.230 3.458 10 10 DGCE Cc1cc(CN2C[C@@H](C(F)(F)F)OC[C@H]2C)ccc1N(C)C 815116355 KFYPVJSQTMTCSA-DOMZBBRYSA-N 316.367 3.213 10 10 DGCE CN(C)c1ccc(/C=C\CNC[C@@H](O)c2ccccc2F)cc1 835036971 SPHLMOHAKBJCHV-SFFCAUCYSA-N 314.404 3.228 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@@H]2CCN(c3ccccn3)C2)cc1 835042824 YGHWEXKNMSDNET-DUMMIQTOSA-N 322.456 3.029 10 10 DGCE COC(=O)c1ccc(O)c([C@H](C)NC[C@@H](C)CC(F)F)c1 842891028 WIRZYYVPTUCHKP-UWVGGRQHSA-N 301.333 3.121 10 10 DGCE CCCN1CCC(CN[C@@H](C)c2cccc(OC)c2O)CC1 846143665 FOGBYJSMHAWNPU-AWEZNQCLSA-N 306.450 3.173 10 10 DGCE Cc1cc(Cl)cc([C@H](C)N[C@H]2C[C@@H](C)n3ncnc32)c1O 850499204 LFQTULAYMMKGOZ-NRUUGDAUSA-N 306.797 3.302 10 10 DGCE CCOCCCCCC(=O)N(C)Cc1ccc(N(C)C)cc1 864633841 MTNORMWCRSFKQK-UHFFFAOYSA-N 306.450 3.308 10 10 DGCE Cc1cc(O)c(CNC[C@H](C)CC2(C)OCCO2)c(Cl)c1 865672436 KFWKMCQSDFEVLY-GFCCVEGCSA-N 313.825 3.233 10 10 DGCE COc1ccc(O)c([C@H](C)NCc2cccc3c2CCOC3)c1 866477721 BCOQLHZSNDGDJI-ZDUSSCGKSA-N 313.397 3.324 10 10 DGCE Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccccc2O)c1 1151892078 HXRKNPCMSLYDFQ-NSHDSACASA-N 300.314 3.100 10 10 DGCE Cc1cc(C(=O)NCCc2ccoc2)c(C)n1-c1ccccn1 1166892587 RVRYXIHDJHSVMV-UHFFFAOYSA-N 309.369 3.055 10 10 DGCE O=C(NCc1cccc(O)c1O)c1cc(-c2ccccc2)ccn1 1176575871 CZGKHLUFLXZVDD-UHFFFAOYSA-N 320.348 3.090 10 10 DGCE COc1cc(C)cc(CN[C@H](C)[C@@](C)(O)c2ccccc2)c1O 1262111767 PDBBFPSFTDYLKE-AUUYWEPGSA-N 315.413 3.095 10 10 DGCE CC(C)c1cc(NC(=O)NCc2cccc(Cl)c2O)no1 1262272305 RCKXANFMEWXGBI-UHFFFAOYSA-N 309.753 3.479 10 10 DGCE CC(C)[C@H]1c2ccccc2CCN1C(=O)c1cccc(O)c1O 1635496817 KMGXWMOXWROCMT-KRWDZBQOSA-N 311.381 3.493 10 10 DGCE COc1nccc2cc(NC(=O)c3ccc(C)c(O)c3O)ccc12 1637072529 VTVVESQCRBFHGL-UHFFFAOYSA-N 324.336 3.215 10 10 DGCE O=C(NC[C@@H]1CC[C@H]2C[C@@H]2C1)c1cc2cc(O)c(O)cc2s1 1646376767 BONFSYSGNFSCND-VWYCJHECSA-N 317.410 3.479 10 10 DGCE CCc1ccc(NC(=O)CNCc2ccc(N(C)C)cc2)cc1 1857855071 OEYQXJRCDIXNBI-UHFFFAOYSA-N 311.429 3.043 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1C[C@]12CCCOC2 1896386914 HGRABZLSXCTIRI-OCCSQVGLSA-N 302.201 3.358 10 10 DGCE [N-]=[N+]=NC[C@H]1CCN(C(=O)Cc2ccccc2Br)C1 1912157863 TYWZCFRBSLNUEA-SNVBAGLBSA-N 323.194 3.150 10 10 DGCE Cc1cc(N(Cc2ccccc2)[C@H](CO)C2CC2)ccc1CN 1915175824 DCSQUKNKYPRADG-HXUWFJFHSA-N 310.441 3.231 10 10 DGCE N[C@]1(c2ccccc2O)CCc2c(Br)cccc21 1920433219 OQDOLZGVAJTZML-OAHLLOKOSA-N 304.187 3.303 10 10 DGCE CC[C@@H](C[C@@H](NC)c1ccccc1O)NC(=O)OC(C)(C)C 1928473624 CZHFOTSQGSIYKQ-GXTWGEPZSA-N 308.422 3.346 10 10 DGCE C[C@@H]1C[C@@H]([C@H](N)c2ccccc2O)N(C(=O)OC(C)(C)C)C1 1958387610 CKCZCHSJUSXFFZ-OSAQELSMSA-N 306.406 3.038 10 10 DGCE Cc1cc(NS(=O)(=O)c2ccccc2Cl)cc(C)c1O 1963035897 DTLSXCATKACNNK-UHFFFAOYSA-N 311.790 3.463 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](Nc3ccc(N)cc3)[C@H]2C1 1977677920 IICHHJGJKPVJBP-RCBQFDQVSA-N 317.433 3.326 10 10 DGCE CCN(CC[C@H](O)c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C 1977939565 QZIAKAGCZUGJCV-INIZCTEOSA-N 322.449 3.433 10 10 DGCE C[C@H](N[C@H](C)[C@@H]1CCN1C(=O)OC(C)(C)C)c1ccccc1O 1989690636 UZCOSUJPBAVRSP-GUTXKFCHSA-N 320.433 3.441 10 10 DGCE CC(C)(C)OC(=O)N1C[C@](N)(c2ccccc2O)[C@H]1C(C)(C)C 1991352480 GOGPSZSSXLTYCJ-KDOFPFPSSA-N 320.433 3.212 10 10 DGCE CC[C@H]1[C@@H](N[C@H](C)c2ccccc2O)CN1C(=O)OC(C)(C)C 1991576246 NVWCCVOGCYHEAM-SNPRPXQTSA-N 320.433 3.441 10 10 DGCE C[C@H]1CN(Cc2ccccc2)CC[C@]1(O)c1ccc(N(C)C)cc1 1999505019 MTYBKCKZXXZSJA-LAUBAEHRSA-N 324.468 3.482 10 10 DGCE CN(c1cc(Br)c(CN)cc1F)C1[C@@H]2CCC[C@@H]12 2033885628 UQOJONABJSODPT-NXEZZACHSA-N 313.214 3.282 10 10 DGCE COc1cccc(O)c1[C@@H](C)N[C@H]1COc2cc(F)ccc2C1 2064859765 KKJUYCBHGQLXSH-BXUZGUMPSA-N 317.360 3.194 10 10 DGCE C[C@H](c1c(O)cccc1F)n1nccc1C(=O)OC(C)(C)C 2069969725 BBMITRPHUGZNDO-SNVBAGLBSA-N 306.337 3.292 10 10 DGCE COC(=O)c1cc(CC(C)C)nn1[C@@H](C)c1ccc(C)cc1O 2069999185 SFOFLXCFFCQBBS-ZDUSSCGKSA-N 316.401 3.492 10 10 DGCE COc1ccc(O)c([C@H](C)n2nc(CC(C)C)cc2C=O)c1 2070031544 CKPYKBPZOICKPM-LBPRGKRZSA-N 302.374 3.218 10 10 DGCE CN1CCC[C@H](NCc2cc(Cl)cc(Cl)c2O)CC1 2088296545 IXWBBRYROZCBNH-LBPRGKRZSA-N 303.233 3.273 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)c2cncc(Br)c2)CC1 2099335968 FTUZRLHYFHUVAZ-NSHDSACASA-N 324.182 3.149 10 10 DGCE COc1cc(-c2csc(Cc3ccc(N)cc3)n2)sn1 2145567057 GCTCZYMHKFJFPS-UHFFFAOYSA-N 303.412 3.448 10 10 DGCE CCN[C@H](c1ccc2c(c1)CCN2C)c1scnc1Cl 2164239590 NKBXRTZYIFNEKI-CYBMUJFWSA-N 307.850 3.488 10 10 DGCE C[C@@H]([C@@H]1CCCOC1)N(C)c1cc(Cl)c(CN)cc1F 2177391148 ZIIXVRZJISFEIB-WDEREUQCSA-N 300.805 3.189 10 10 DGCE OC[C@H]1CC[C@](F)(CNCc2cc(Cl)ccc2O)CC1 2178638678 ZBUMYEBXMVORPT-WGRBQBNCSA-N 301.789 3.026 10 10 DGCE C[C@H](O)c1cc(F)c(N2CC[C@H](P(C)(C)=O)C2)c(F)c1 2194511376 MRZHJPMZOSJZOM-ONGXEEELSA-N 303.289 3.220 10 10 DGCE Cc1c(Cl)cnc(NC(=O)c2ccc(O)c(O)c2)c1Cl 2202912488 PFDZMDIYKLCMQM-UHFFFAOYSA-N 313.140 3.360 10 10 DGCE CO[C@@H]1CN([C@@H](C)c2ccc(Cl)cc2O)CC(F)(F)C1 2203339073 KMRMAPREBBAYTJ-ONGXEEELSA-N 305.752 3.463 10 10 DGCE COc1ccc(Br)c(CN[C@@H]2CCC[C@H]2F)c1O 2220462821 RGTAMLNYQDSPFX-GHMZBOCLSA-N 318.186 3.144 10 10 DGCE CN(c1ccc(CN)cc1Br)[C@H]1CC2C[C@@H]3C1[C@@H]3C2 2264478472 KOUHIBLCIXCMGR-MAHHRDCOSA-N 321.262 3.389 10 10 DGCE CCCN(Cc1ccc(C)c(Br)c1O)C1COC1 2327597931 AKRCASSNAKMPPH-UHFFFAOYSA-N 314.223 3.074 10 10 DGCE COc1cc(C(=O)NCC2(CN=[N+]=[N-])CC2)sc1Cl 2340289114 XXQLHEYXOCJQBC-UHFFFAOYSA-N 300.771 3.230 10 10 DGCE Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2Cl)c(C)c1 70334349 QYVIZJFCWBDQBO-UHFFFAOYSA-N 311.790 3.463 10 10 DGCE Nc1[nH]ncc1-c1nc(-c2cccc(OC(F)F)c2)cs1 71382821 ONTCEEWTOYGEFN-UHFFFAOYSA-N 308.313 3.384 10 10 DGCE CC[C@H](NCCc1c[nH]cn1)c1cc(Br)ccc1O 87538074 AQBCXTXJOWJEKD-ZDUSSCGKSA-N 324.222 3.161 10 10 DGCE C[C@H](Cc1ccsc1)N(C)Cc1cc2c(cc1O)OCO2 93705822 YMWRPTUCRWYHTL-LLVKDONJSA-N 305.399 3.245 10 10 DGCE C[C@H](CC(=O)O)[C@H]1CCCN(Cc2c(O)cccc2Cl)C1 128843582 GYMGMZTYZJLPJN-NEPJUHHUSA-N 311.809 3.368 10 10 DGCE Nc1ccc(CC(=O)N[C@H](c2ccccc2)c2nccs2)cc1 153824719 NAQTUVVAICGCJN-QGZVFWFLSA-N 323.421 3.174 10 10 DGCE CCCOc1ccc(CN(CCO)C2CCCCC2)c(O)c1 155136933 YIWZOAYCYVVCSK-UHFFFAOYSA-N 307.434 3.308 10 10 DGCE CCN(Cc1ccc(N)cc1)Cc1ccc(Br)cn1 167081253 HGQUDRTUBOZNEZ-UHFFFAOYSA-N 320.234 3.448 10 10 DGCE C[C@@H](NCC(=O)NC(C)(C)C)c1ccc(N2CCCCC2)cc1 177766703 GFKKDUBPVVGZGA-OAHLLOKOSA-N 317.477 3.242 10 10 DGCE CCN1CCC(CCN[C@@H](C)c2cc(OC)ccc2O)CC1 185563791 KCJPTROESCMFQX-AWEZNQCLSA-N 306.450 3.173 10 10 DGCE FC(F)Oc1ccc(N2CCC[C@H](NCc3ccc[nH]3)C2)cc1 190774890 SNRYWUZPUVMZRB-AWEZNQCLSA-N 321.371 3.375 10 10 DGCE COc1ccc(O)c(CN2CC(C)(C)OC3(CCCC3)C2)c1 191225994 GMPDNMUKNLYYEU-UHFFFAOYSA-N 305.418 3.324 10 10 DGCE CCOc1cc(CNCCC(C)C)ccc1N(CC)CCO 211961472 IWCKERRFCVNXKZ-UHFFFAOYSA-N 308.466 3.040 10 10 DGCE COC(=O)[C@H](NCCN=[N+]=[N-])c1cc(Cl)ccc1Cl 234562678 RQLPAXHSPDDFAF-SNVBAGLBSA-N 303.149 3.107 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CC[C@H](O)CC2)cc1 245523132 DCOXYWUOXWMROR-SAABIXHNSA-N 312.413 3.127 10 10 DGCE C[C@H](N[C@@H]1CCC[C@H]1CCO)c1cc2c(cc1O)CCCC2 250051611 MAUXOPCQMKRLOT-SUNYJGFJSA-N 303.446 3.473 10 10 DGCE COc1cc(Cl)cc(CN(C)[C@@H]2CCCC[C@H]2CN)c1O 252876778 XHLUJWWFAWHRRA-SMDDNHRTSA-N 312.841 3.004 10 10 DGCE C[C@@H](NC[C@H](O)C(F)(F)F)c1ccc(N2CCCCC2)cc1 268864332 SZEMEHCQXDLYGB-DOMZBBRYSA-N 316.367 3.251 10 10 DGCE Nc1ccc(CCNC(=O)c2cccn2Cc2ccccc2)cc1 309850272 VCUFEZMRUNCTLM-UHFFFAOYSA-N 319.408 3.091 10 10 DGCE CN(CCCOCc1ccccc1)c1ccc(CN)cc1F 383908058 SXPGGJWWQXJCEF-UHFFFAOYSA-N 302.393 3.328 10 10 DGCE CN(Cc1ccco1)c1cc(Br)c(CN)cc1F 385011426 XAECHLQKTXWUJV-UHFFFAOYSA-N 313.170 3.276 10 10 DGCE Cc1ccc([C@H](C)NC[C@H]2c3ccccc3C(=O)N2C)c(O)c1 528003723 LUXQMFUNGGERFL-GUYCJALGSA-N 310.397 3.178 10 10 DGCE CNCc1ccc(N2CC(CC3CC3)C2)c(Br)c1 699603856 ZGTIKRJSJVYSEI-UHFFFAOYSA-N 309.251 3.405 10 10 DGCE C[C@@H](COCc1ccccc1)NCc1cc(F)cc(F)c1O 708555065 KYACDGXDJGHCFJ-LBPRGKRZSA-N 307.340 3.365 10 10 DGCE Oc1c(CNC[C@@H]2CCN2Cc2ccccc2)ccc(F)c1F 716300544 WGWTZHWFOJTSTI-HNNXBMFYSA-N 318.367 3.035 10 10 DGCE CO[C@@H](C)[C@H](C)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 786676889 KWEMXGZXFKEJHM-GJZGRUSLSA-N 300.402 3.247 10 10 DGCE COc1ccc(CNC(=O)N[C@@H]2CCCC[C@@H]2C(C)C)c(O)c1 792981586 XPPZLQPUJBIFNZ-HZPDHXFCSA-N 320.433 3.415 10 10 DGCE CNC(=O)C[C@@H](N[C@H](C)c1cc(C)ccc1O)c1ccccc1 795852693 RKCJWMSYDJJHOE-RHSMWYFYSA-N 312.413 3.229 10 10 DGCE C[C@@H](N[C@@H]1CNCCC1(F)F)c1ccc(N2CCCCC2)cc1 817979818 OVHAJPUYLDNADJ-RHSMWYFYSA-N 323.431 3.325 10 10 DGCE Cc1cc(Cl)cc(CNC[C@@H](O)Cc2cccc(F)c2)c1O 824500937 BMMZXSUDEWYGOR-INIZCTEOSA-N 323.795 3.186 10 10 DGCE CC(=O)[C@H](OC(=O)c1cc(C)n(-c2ccccn2)c1C)C(C)C 828702464 VRBMNTQWWHCXOF-QGZVFWFLSA-N 314.385 3.260 10 10 DGCE Cc1nc(CCNC/C=C/c2ccc(N(C)C)cc2)cs1 835037326 VBSGZLCLSSDTAA-SNAWJCMRSA-N 301.459 3.363 10 10 DGCE CN(C)c1ccc(/C=C/CNC[C@](C)(O)c2ccsc2)cc1 835039772 JIPSDFGJERAJFJ-WRFKIARRSA-N 316.470 3.325 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@@H]1[C@H]2CCC[C@H]21 840360072 LJQAUUNSUXHGNV-ZSGPHXLJSA-N 315.461 3.090 10 10 DGCE COc1ccc([C@H](O)CNCc2c(O)cc(C)cc2Cl)cc1 840875231 KJYZUBHKDQPSOL-QGZVFWFLSA-N 321.804 3.186 10 10 DGCE COC(=O)[C@H]1C[C@H]2CC[C@H]1N(Cc1c(O)cc(C)cc1Cl)C2 840953284 OALWUQCYIXKJSB-TYNCELHUSA-N 323.820 3.128 10 10 DGCE C[C@@H](NCc1cc(Br)ccc1O)[C@@H]1CC1(F)F 840968841 VLCIHPDWHQJUQL-XCBNKYQSSA-N 306.150 3.288 10 10 DGCE CC[C@@H](N[C@H]1C[C@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1O 858494122 CXAUSYPRKCYQON-SOCHQFKDSA-N 317.216 3.004 10 10 DGCE OCc1ccc(F)c(COc2ccc(N3CCCC3)cc2)c1 863459728 RKXCAOZHAVVHMS-UHFFFAOYSA-N 301.361 3.497 10 10 DGCE C[C@@H]1CC=CC[C@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 890765194 PUQOLGHPNOCMCB-MWLCHTKSSA-N 303.383 3.397 10 10 DGCE CC[C@@H](NC[C@]1(OC(C)C)CCOC1)c1ccc(C)cc1O 903357572 NUDONISHGNSPBC-SJLPKXTDSA-N 307.434 3.325 10 10 DGCE CN(C)c1ccc(CNC(=O)N[C@H]2CCCc3cccnc32)cc1 913927124 VNZYYZNVJHCARR-KRWDZBQOSA-N 324.428 3.024 10 10 DGCE Cc1cc(CN2CCCC[C@@H]2[C@@H]2CCNC2)ccc1N(C)C 923365136 UALFGMBVYOKIOP-IEBWSBKVSA-N 301.478 3.025 10 10 DGCE Cc1cc(NC(=O)NCc2cccc(Cl)c2O)nn1C(C)C 931782380 TTWGDJLWTHDRCM-UHFFFAOYSA-N 322.796 3.453 10 10 DGCE O=C(NCc1coc2ccccc12)N1Cc2cccc(O)c2C1 1251327048 HOLKULMMVJZFEA-UHFFFAOYSA-N 308.337 3.364 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCC1CC(C)C1 1251988306 IHELFUVEGAUFTN-OGVSOVDVSA-N 317.477 3.337 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1ccc2nccn2c1 1304089593 CQOVOTIRHZEVGG-UHFFFAOYSA-N 317.348 3.123 10 10 DGCE COc1ccc(CNCCC[C@@H](C)NC(=O)C(C)(C)F)cc1C 1330723659 AMDRHLTUHHYRGQ-CQSZACIVSA-N 324.440 3.126 10 10 DGCE O=C(NCc1c(O)cccc1F)[C@H]1C[C@@H]1c1ccc(F)cc1 1471975712 DSQKBLCLALNFBB-OLZOCXBDSA-N 303.308 3.090 10 10 DGCE Cc1cc(CN2CC(O)(C(C)C)C2)ccc1N1CCCCC1 1617678903 FKOSNLSGQBBFAY-UHFFFAOYSA-N 302.462 3.188 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)c1coc2cc(O)ccc12 1623386739 IVNWWWUVVNAPRV-UHFFFAOYSA-N 324.380 3.477 10 10 DGCE CC1(C)CCC[C@@H](CNC(=O)/C=C\c2ccc(O)c(O)c2)C1 1630021398 DFTLZOXJMIQQSA-IQCBXXCUSA-N 303.402 3.444 10 10 DGCE Cc1cc(CC(=O)N2CCCC(=O)[C@H]2C)c(C)n1-c1ccccc1 1639860704 ICDZRWYDDRGKGX-MRXNPFEDSA-N 324.424 3.217 10 10 DGCE C[C@@H](CC(=O)NCc1cc(O)ccc1O)c1cccc(F)c1 1644754510 ZLVUAYCGSABYJP-NSHDSACASA-N 303.333 3.047 10 10 DGCE Cc1cc(C)c(/C=C/C(=O)NCc2c(O)cccc2O)cc1C 1645363132 NLANJUSANIDQSU-BQYQJAHWSA-N 311.381 3.353 10 10 DGCE Cc1cccc(NC(=O)CCNCc2cc(Cl)ccc2O)c1 1857854731 UAAAFKRVCKFSNG-UHFFFAOYSA-N 318.804 3.472 10 10 DGCE CCOC(=O)[C@H]1CCCN(/N=N/c2ccc(N(C)C)cc2)C1 1860485586 PUVADGWFXYICDQ-BZSIDJSBSA-N 304.394 3.026 10 10 DGCE Fc1ccc(/N=N/N2CCN(c3ccccn3)CC2)c(F)c1 1860488050 AYVMPGKJKBJNJZ-FMQUCBEESA-N 303.316 3.181 10 10 DGCE Cc1cnc([C@@H](O)c2ccc(N(C)C)cc2)c(Br)c1 1911245136 WMWJJQRQRCSCNG-HNNXBMFYSA-N 321.218 3.300 10 10 DGCE [N-]=[N+]=NCCCNC(=O)C=Cc1ccc(Br)s1 1911870675 NUEIMTJRWONDGG-UHFFFAOYSA-N 315.196 3.340 10 10 DGCE Cc1cccc(N)c1N[C@H]1CCOC[C@H]1OCc1ccccc1 1937206947 MHOAMIYRBAFXJH-ZWKOTPCHSA-N 312.413 3.363 10 10 DGCE CC(C)(C)OC(=O)NC1CC(=CCOc2ccc(N)cc2)C1 1952715016 BVPOOQZMMQDROM-UHFFFAOYSA-N 304.390 3.261 10 10 DGCE Cn1nc(CNCc2cc(Cl)cc(Cl)c2O)cc1Cl 1967895220 LGTPALSAUPBFJI-UHFFFAOYSA-N 320.607 3.376 10 10 DGCE Cc1cccc(O)c1CN[C@@H]1CCN(Cc2ccccc2)[C@H]1C 1976876600 ZIASGATXYSMALK-QFBILLFUSA-N 310.441 3.453 10 10 DGCE CN1CCc2cc(C3(N)CC(OCc4ccccc4)C3)ccc21 1977938057 FYBQEFKZXHHVIG-UHFFFAOYSA-N 308.425 3.212 10 10 DGCE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)c1ccc(N2CCCC2)cc1 1977946829 YBOBEFFAJVHRFB-CZUORRHYSA-N 319.449 3.200 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@]23CCC[C@@]2(CN(CCN=[N+]=[N-])C3)C1 1982241269 GWRVKHDAWLYRPH-IYBDPMFKSA-N 321.425 3.020 10 10 DGCE CCNCc1ccc(N2CC[C@@H]2CF)cc1Br 2011851405 VQGXJSFQNIYSSR-GFCCVEGCSA-N 301.203 3.107 10 10 DGCE C[C@@H](c1ccccc1O)N(C)c1nnc(Br)s1 2017502950 OBLRJXAWEDGGAM-ZETCQYMHSA-N 314.208 3.204 10 10 DGCE CNCc1cc(C2CCC2)nn1[C@H](C)c1ccc(F)cc1O 2070033484 ADNBINVGUOUGCW-LLVKDONJSA-N 303.381 3.324 10 10 DGCE CO[C@@H]1C[C@@H]2C[C@@H](Nc3c(N)cccc3Br)[C@H]2C1 2070342795 HGBODEPEXRMSMT-ORXSELOVSA-N 311.223 3.257 10 10 DGCE CC[C@H](N)Cc1cnc(SCCCOCC2CC2)s1 2128307327 SAEJKKAOXYQHSJ-LBPRGKRZSA-N 300.493 3.332 10 10 DGCE CN(C[C@H]1C2C[C@@H]3C1[C@@H]3C2)c1ccc(CO)cc1Br 2134489307 LFDPUXKXVSJCAN-RFVMBOSQSA-N 322.246 3.280 10 10 DGCE CC(C)N[C@](CSc1nccs1)(C(=O)O)C(C)(C)C 2142826276 ZUVQZQOTKFMIDS-CYBMUJFWSA-N 302.465 3.103 10 10 DGCE CCN(c1ccc(CN)c(C(F)(F)F)c1)[C@@H]1CCSC1 2170139588 LFYIQINQGVGILR-GFCCVEGCSA-N 304.381 3.496 10 10 DGCE C[C@H](c1ccc(Cl)cc1O)N(C)[C@H]1COCCC1(F)F 2203345455 FVRQOHALKVWALX-RNCFNFMXSA-N 305.752 3.463 10 10 DGCE CN(c1ccc(CN)c(Br)c1F)C1C[C@H]2C[C@@H]2C1 2222648092 GQYWDIBUIUKFMT-NXEZZACHSA-N 313.214 3.282 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)[C@]2(C)Oc1ccc(N)cc1 2244338709 AUCHGZQNLASEJZ-MCBXIFIFSA-N 318.417 3.293 10 10 DGCE CSc1ncc(Cn2c(S)nnc2-c2ccccc2)s1 2284664250 DRPAEUVUCTUDDG-UHFFFAOYSA-N 320.468 3.461 10 10 DGCE CSCCCCCCNC(=O)C=Cc1ccc(O)c(O)c1 2308423179 YOEBMQBMZWMEQL-UHFFFAOYSA-N 309.431 3.151 10 10 DGCE Cc1ncsc1C=CC(=O)N(CCN(C)C)c1ccccc1 2310089764 YFBPQIWPBIZKJC-UHFFFAOYSA-N 315.442 3.060 10 10 DGCE CN1CCCc2cc(NC(=O)/C=C/c3ccc(O)c(O)c3)ccc21 181062666 CRKNHCCNNPRCDN-WEVVVXLNSA-N 324.380 3.132 10 10 DGCE COc1cc(N)c(N2CCc3sccc3[C@@H]2C)cc1OC 213754305 URVVECJGRULHNR-JTQLQIEISA-N 304.415 3.471 10 10 DGCE CCN[C@H](c1ccc(N(C)C)cc1)c1nc2c(s1)CCC2 41191866 GUSDBSKCLIBJRM-MRXNPFEDSA-N 301.459 3.397 10 10 DGCE C[C@H](N)c1ccc(N2CCN(Cc3ccccc3)C[C@H]2C)cc1 382724572 QQZJUUFHJNJXOW-SJORKVTESA-N 309.457 3.417 10 10 DGCE CO[C@H](C)[C@H](C)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 190339985 PFNZCSAQFNVQRV-GXTWGEPZSA-N 318.392 3.386 10 10 DGCE C[C@@H](N)c1ccc(N(C)C2CCOCC2)cc1Br 235203174 QPOLTQLCIUHTTB-SNVBAGLBSA-N 313.239 3.084 10 10 DGCE CCOc1ccc(O)c(CN2CC[C@H](OCCC(C)C)C2)c1 93476260 NHSJSQYJBJLMPK-KRWDZBQOSA-N 307.434 3.428 10 10 DGCE CN(C)c1ccc(CN2CCCC[C@@H](N3CCCC3)C2)cc1 92785492 RSOKLHMRKABJBM-LJQANCHMSA-N 301.478 3.203 10 10 DGCE Cc1ncc(/C=C\C(=O)N(C)c2cccc([N+](=O)[O-])c2)s1 255393001 HHSIYGOUDMADOE-SREVYHEPSA-N 303.343 3.036 10 10 DGCE O=C(O)/C=C\c1ccc(N2CC[C@@H]3C[C@H]32)c(Br)c1 707062592 RPNFKNYDZRQJED-GMIKGCRTSA-N 308.175 3.146 10 10 DGCE Cc1cc(CCNC(=O)C(F)(F)F)c(C)n1-c1ccccc1 729306118 HZMNUEBGXXGWAJ-UHFFFAOYSA-N 310.319 3.315 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCN(C3CCCC3)CC2)cc1 835025796 NLBJTLJLIAYNDO-WAYWQWQTSA-N 313.489 3.326 10 10 DGCE COc1cccc(CNC(=O)[C@@H]2CCCC[C@@H]2C2CC2)c1O 843831895 SIQVVXZESQWRLB-HUUCEWRRSA-N 303.402 3.233 10 10 DGCE COc1cccc(F)c1[C@@H](C)NC(=O)NCc1ccccc1O 743658869 BHKWPNMRQWJUBA-LLVKDONJSA-N 318.348 3.100 10 10 DGCE CCN(Cc1cc(C(=O)OC)oc1C)c1ccc(OC)cc1 747452553 IWGFXQBNQVIQFW-UHFFFAOYSA-N 303.358 3.410 10 10 DGCE Cc1cc(O)c(CN[C@@H]2CNCC[C@@H]2c2ccccc2)cc1C 849350483 YUTNTAJXTLXNJV-RTBURBONSA-N 310.441 3.244 10 10 DGCE COc1ccc(CN[C@@H](C)c2nc(C(=O)O)cs2)cc1C 846781818 XAMRUYBNNSCFLF-JTQLQIEISA-N 306.387 3.009 10 10 DGCE COc1ccc(O)c(CN2C[C@H](C)OC3(CCCCC3)C2)c1 848929302 VOAYPKHNWNUSPB-AWEZNQCLSA-N 305.418 3.324 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)[C@H]2C[C@@H]2C2CCCC2)c1 845834347 SLRVMJDGJJKXGW-XZJROXQQSA-N 303.402 3.404 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@]12CCCC[C@@H]1OCC2 929533371 SFKLNWWMXLCEJD-PKOBYXMFSA-N 316.445 3.060 10 10 DGCE CCc1nc(C)cc(N[C@@H]2CCN(c3ccc(OC)cc3)C2)n1 853760615 LHMKLHNWKHWXEY-CQSZACIVSA-N 312.417 3.047 10 10 DGCE CCc1cccc(CC(=O)NCc2ccc(N(C)C)cc2C)c1 751972486 DDIBWXMGHSAJKM-UHFFFAOYSA-N 310.441 3.482 10 10 DGCE C[C@@H](NC[C@H]1CCCC2(CCC2)O1)c1cc([N+](=O)[O-])ccc1O 927009380 CMVSIXUSUYNEQZ-TZMCWYRMSA-N 320.389 3.443 10 10 DGCE COc1ccc2ccc(O)c(CN3CC[C@@H]4COC[C@@H]4C3)c2c1 853586647 VTJKDPBAAZVXIK-CABCVRRESA-N 313.397 3.022 10 10 DGCE O=C(NCC[C@@H]1CC1(F)F)NCc1c(O)ccc2c1CCCC2 856883307 GVVSPVCFJHLKIA-GFCCVEGCSA-N 324.371 3.116 10 10 DGCE Nc1ccc(CC[C@H](O)Cc2ccc(Br)o2)cc1 695806533 QAWFXDOBXRJKEM-LBPRGKRZSA-N 310.191 3.161 10 10 DGCE Cc1cc(O)c(CN[C@](C)(CO)c2cccc(O)c2)cc1Cl 862433069 SXAUEUPDIDCURK-QGZVFWFLSA-N 321.804 3.057 10 10 DGCE COc1ccc(O)c([C@H](C)NCCSc2ccncc2)c1 930214299 NETWVIIQTSTOKY-LBPRGKRZSA-N 304.415 3.239 10 10 DGCE CC(C)(C)CC(=O)N1CCN(Cc2cc(Cl)ccc2O)CC1 768252726 NMEVOUOJPZWZTM-UHFFFAOYSA-N 324.852 3.126 10 10 DGCE COc1ccccc1[C@@H]1C[C@H]1C(=O)N1Cc2cccc(O)c2C1 871206067 QJPFTDUSQVVOBB-LSDHHAIUSA-N 309.365 3.047 10 10 DGCE NC[C@H]1CCC2(CCC2)[C@H]1Nc1c(N)cccc1Br 1876204396 WWIYVAQCLJDJGR-YGRLFVJLSA-N 324.266 3.351 10 10 DGCE CNC(=O)C[C@H](N[C@@H](C)c1cc(F)ccc1O)c1ccccc1 795850650 CBANYBKCKMZUKZ-LRDDRELGSA-N 316.376 3.059 10 10 DGCE CC(C)[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1F 1146406052 CHNIKRYYJIAGER-SFHVURJKSA-N 317.360 3.293 10 10 DGCE CCCO[C@H]1CCN(Cc2ccc(Br)cc2O)C1 701671115 ANFOJRBYTZNKDT-ZDUSSCGKSA-N 314.223 3.156 10 10 DGCE C1=C[C@@H](CCCNCc2ccc(N3CCOCC3)cc2)CC1 1179501843 FVHSCJCSLBDVJX-QGZVFWFLSA-N 300.446 3.359 10 10 DGCE CN(c1ccc(CO)c(Br)c1)[C@@H]1CCCSC1 689583750 CDSAPDNQKLGIFU-GFCCVEGCSA-N 316.264 3.273 10 10 DGCE Cc1cc(C(=O)NCc2c(O)cccc2O)c(C)n1C(C)C 1472061736 WWCWHRDDIWCRLE-UHFFFAOYSA-N 302.374 3.027 10 10 DGCE C[C@H](NC(=O)c1ccc(F)c(O)c1)c1ccc(N(C)C)cc1 1616842629 DSIZRVPMKIBYCT-NSHDSACASA-N 302.349 3.088 10 10 DGCE CCOc1ccc(N(C)C[C@H]2CCC[C@@]3(CCOC3)O2)cc1 1620559741 BHZWYUVSYUAJMM-MSOLQXFVSA-N 305.418 3.250 10 10 DGCE C[C@H](Oc1ccccc1Cl)C(=O)N1Cc2cccc(O)c2C1 1636230454 DSOWAPBURPLCDZ-NSHDSACASA-N 317.772 3.355 10 10 DGCE CC(C)O[C@H]1C[C@H](NC(=O)N[C@@H](C)c2ccccc2O)C1(C)C 1671411302 SRCZIGICWKOSAW-RCBQFDQVSA-N 320.433 3.345 10 10 DGCE COc1cccc(/C=C2/SC(=S)N(C3CC3)C2=O)c1OC 1858591377 IUMPAHDWSXZAOL-XYOKQWHBSA-N 321.423 3.067 10 10 DGCE Cc1cnc(C(=O)Nc2ccc(Cc3ccc(N)cc3)cc2)cn1 1866000990 UCHCOWJWJDIILR-UHFFFAOYSA-N 318.380 3.210 10 10 DGCE Cc1ccnc(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])c1Br 1912144688 XBRMRFUGKCDIIP-SECBINFHSA-N 324.182 3.067 10 10 DGCE CNCc1ccc(N(C)[C@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]4C3)c(Br)c1 2134327666 QKANXBMQKDHLSA-LZPUHMRESA-N 321.262 3.259 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C[C@@H](N)c1ccccc1O 1936981460 AHGQQASPCWJNAL-NWANDNLSSA-N 320.433 3.476 10 10 DGCE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNCc1ccccc1O 1937860428 WZNUHBHRCJXVQG-ZFWWWQNUSA-N 320.433 3.127 10 10 DGCE Cc1ccc(O)c(CN[C@@]23C[C@@H]2CN(Cc2ccccc2)C3)c1 1939379729 HNNAIRFULCDOPY-UYAOXDASSA-N 308.425 3.065 10 10 DGCE CN[C@@H](c1ccccc1O)[C@@]1(CNC(=O)OC(C)(C)C)C[C@@H]1C 1940054073 BVKCWPYNSULKMF-XLWVJDPXSA-N 320.433 3.204 10 10 DGCE C[C@H]1CN(Cc2ccccc2)CC[C@]1(N)c1ccc(N(C)C)cc1 1999510965 ZKTRGQDFIUVIMG-LAUBAEHRSA-N 323.484 3.449 10 10 DGCE Oc1cc(Br)ccc1CN[C@H]1C[C@H]2C[C@H]1C[C@@H]2F 2039898611 YRLZGSXDSFOKKR-URBCHYCLSA-N 314.198 3.381 10 10 DGCE C[C@H](N)c1ccc(N2CCO[C@H](C)[C@@H]2C)c(Br)c1 380581809 XTMBSYLIJQODBX-GARJFASQSA-N 313.239 3.082 10 10 DGCE CCN(CC)c1ccc(CNC[C@@H](C)CC2(C)OCCO2)cc1 715918801 QJTDIRIVGSLXTJ-INIZCTEOSA-N 320.477 3.412 10 10 DGCE CCNCc1ccc(N(C)C[C@H]2OCC[C@@H]2F)cc1Cl 2179098515 APEOHBBMIJKWJO-LSDHHAIUSA-N 300.805 3.013 10 10 DGCE Cc1sc([C@@H](NN)c2ccccc2O)cc1Br 2213765501 IIANTMRKFJAIRU-LBPRGKRZSA-N 313.220 3.077 10 10 DGCE C[C@@H](N)Cc1cnc(Sc2nc3cnccc3s2)s1 2099143527 PNQGSCSXQCQHDR-SSDOTTSWSA-N 308.457 3.189 10 10 DGCE Cc1cc(C(=O)NCCCN=[N+]=[N-])cc(C)c1Br 2220095203 ZMGRPQDWUGTMNU-UHFFFAOYSA-N 311.183 3.496 10 10 DGCE C[C@H](N)c1ccc(N(C)C[C@H](F)[C@H]2CCOC2)c(Cl)c1 2238325157 YGJUVXKVHXTKFH-JKOKRWQUSA-N 300.805 3.171 10 10 DGCE Cc1cc(Br)cc([C@@H](O)[C@@H](N)c2ccccc2O)c1 2228998158 XNHJMDSUVIBRFY-LSDHHAIUSA-N 322.202 3.197 10 10 DGCE O=C(C=Cc1ccccc1[N+](=O)[O-])N1CCOc2ccccc21 2327117278 RURJKKYMPIRVGU-UHFFFAOYSA-N 310.309 3.034 10 10 DGCE CCCN1N=C(c2ccccc2)C(=Cc2cccc(O)c2)C1=O 2332094752 DHWXCDGFPUGTNB-UHFFFAOYSA-N 306.365 3.432 10 10 DGCE CN1N=C(C(F)(F)F)C(=Cc2ccc(C(F)(F)F)cc2)C1=O 2332140724 FLLVFENOGPIKMC-UHFFFAOYSA-N 322.208 3.479 10 10 DGCE CC(=O)[C@@]1(C)CCN1Cc1ccc(C)c(Br)c1O 2327542127 KSZNSDIQEDXAND-CQSZACIVSA-N 312.207 3.017 10 10 DGCE CN(C)c1ccc(/C=C\C2=NC(=O)N[C@H](C(F)(F)F)C2)cc1 33880682 MCTPGXXTYUSHQW-RJNRQISESA-N 311.307 3.251 10 10 DGCE CCSc1ccccc1NC(=O)COc1ccc(N)cc1 40307936 SYXZRWSFYYNWLB-UHFFFAOYSA-N 302.399 3.398 10 10 DGCE C[C@H]1CCCC[C@H]1NCc1ccc(N2CCCNCC2)cc1 84846304 VZXSHQLAJHMVDA-QFBILLFUSA-N 301.478 3.155 10 10 DGCE CC(=O)c1ccc(O)c(CN2CCC(C(F)(F)F)CC2)c1 88432135 UEXCBGLVDAGSJH-UHFFFAOYSA-N 301.308 3.369 10 10 DGCE N[C@H](CC(F)(F)F)c1c(F)ccc(Br)c1O 95716719 QFIPUZLXMHWRAL-ZCFIWIBFSA-N 302.065 3.246 10 10 DGCE CC[C@@]1(C)C[C@@H]1C(=O)NC1CCN(c2ccc(OC)cc2)CC1 127402478 QMSZJQXANJZLRI-MJGOQNOKSA-N 316.445 3.216 10 10 DGCE CC[C@H]1CO[C@@H](C)CN1c1ccc(/C=C/C(=O)O)cc1Cl 164356889 WLVURXHAYIRNRA-FXOGGVSJSA-N 309.793 3.442 10 10 DGCE COc1cc(C)cc(CN2CC[C@H](OCCC(C)C)C2)c1O 164468447 UPXKQRYXJCTWQB-INIZCTEOSA-N 307.434 3.346 10 10 DGCE CN[C@@H](C)c1ccc(N2CC=C(C(F)(F)F)CC2)cc1O 167226590 UWBYWAQJRFZHFY-JTQLQIEISA-N 300.324 3.371 10 10 DGCE CCc1cc(O)ccc1NS(=O)(=O)c1ccc(F)cc1C 189428223 CAIYGMXYSFJMAD-UHFFFAOYSA-N 309.362 3.203 10 10 DGCE C[C@@H](NCc1ccc(CO)c(F)c1)c1ccc(F)c(F)c1O 191217827 BORQJZVUWXFSGM-SECBINFHSA-N 311.303 3.153 10 10 DGCE Cc1cccc(O)c1NC1=NC(=O)/C(=C/c2ccco2)S1 210616483 XCQKPUUHDPPLEM-WQLSENKSSA-N 300.339 3.376 10 10 DGCE C[C@@H](Nc1ccc(Br)nc1)c1c(O)cccc1O 235213844 MGRKMAWCXJRHKA-MRVPVSSYSA-N 309.163 3.428 10 10 DGCE COc1ccc([C@H](C)NCc2cccc(OC)c2O)c(OC)c1 237251831 OQIIFCLIVTVIQR-LBPRGKRZSA-N 317.385 3.269 10 10 DGCE O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1c(O)cccc1Cl 252503135 KNVXRQFMQFVUIU-HONMWMINSA-N 309.793 3.263 10 10 DGCE Cc1ccc([C@@H](C)CNC(=O)/C=C\c2ccc(O)c(O)c2)cc1 588407172 MUKGVNBFQXGAJI-APFBBLRHSA-N 311.381 3.339 10 10 DGCE O=C(O)/C=C/c1ccc(N2C[C@@H]3CC[C@H]3C2)c(Br)c1 688353055 VVVMPSGBELJAIZ-AQZGPHHMSA-N 322.202 3.393 10 10 DGCE CO[C@H]1CC[C@H]1NCc1cc(Cl)cc(Br)c1O 724199313 QOBOORSLSCBZJB-MNOVXSKESA-N 320.614 3.075 10 10 DGCE COc1cccc(O)c1CN1CCO[C@H](c2cccs2)C1 769146243 GMUHLERJVOXHQR-HNNXBMFYSA-N 305.399 3.036 10 10 DGCE CCN(CC)c1ccc(CNC(=O)N[C@H]2CC23CC3)cc1F 823007590 ZQOQVTVPCHGKPM-HNNXBMFYSA-N 305.397 3.024 10 10 DGCE C[C@H](CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)CC(F)F 826530173 CMZVTVJYMHXJCM-NWDGAFQWSA-N 313.392 3.404 10 10 DGCE C[C@H](NC(=O)C[C@@H](C)[C@@H]1CCCO1)c1ccc(N(C)C)cc1 832435579 CGJQHMLTMJWYKQ-KEYYUXOJSA-N 304.434 3.135 10 10 DGCE CC(C)n1ncc2c1C[C@H](N[C@H]1CCc3cccc(O)c31)CC2 834783934 PKBCQNAIHZEFOI-CVEARBPZSA-N 311.429 3.304 10 10 DGCE CC[C@H](N[C@@H]1C[C@@H](C)c2c(F)ccc(O)c21)[C@H](O)C(F)F 834875503 QBVGVDJPIPGKHC-KODWOLAFSA-N 303.324 3.074 10 10 DGCE CN(C)c1ccc([C@H](N)CNCc2cccc3cnccc23)cc1 841046098 WBUCGOCXYRKEGI-HXUWFJFHSA-N 320.440 3.090 10 10 DGCE C[C@@H](CNCc1ccc(N2CCOCC2)c(F)c1)CC(F)F 842727178 DQVLTGYFZSEIGW-GFCCVEGCSA-N 316.367 3.043 10 10 DGCE C/C(=C\c1ccccn1)C(=O)NCc1ccc(N(C)C)cc1C 846876650 WGQSIHJSDJRTLA-RVDMUPIBSA-N 309.413 3.176 10 10 DGCE CC[C@H](NCC[C@@H](COC)OC)c1cccc(Cl)c1O 850487254 YNBNVKRTBHMLTJ-FZMZJTMJSA-N 301.814 3.138 10 10 DGCE CCOC(=O)C1=CC[C@H](N[C@H]2C[C@@H](C)c3c(F)ccc(O)c32)C1 858505485 LCORRNSTACVUME-OSMZGAPFSA-N 319.376 3.321 10 10 DGCE CN(C)c1cc(F)c(CN2CCC[C@@H](OC(F)F)C2)cc1F 862309214 NJRYRCFGNFYKSY-LLVKDONJSA-N 320.330 3.234 10 10 DGCE COc1cc(N(C)Cc2ncc(C(C)C)[nH]2)cc(OC)c1OC 894429579 LKMPYWSKYPEEJM-UHFFFAOYSA-N 319.405 3.195 10 10 DGCE COc1ccc(O)c([C@H](C)NC[C@@H]2CC[C@H](C(F)(F)F)O2)c1 903178767 JIOZWHSLVQHVRW-NURSFMCSSA-N 319.323 3.161 10 10 DGCE Cn1nccc1[C@@H]1CCCN1Cc1c(O)ccc2ccncc12 905741180 LWBOOMQQFFFHSC-KRWDZBQOSA-N 308.385 3.011 10 10 DGCE C[C@H](N[C@H]1C[C@@](CO)(c2ccccc2)C1)c1cc(F)ccc1O 927154866 DZMJYFLIYBHYFN-IYJAJMOOSA-N 315.388 3.275 10 10 DGCE Cc1ccccc1C(F)(F)C(=O)NCc1c(O)cccc1F 1156170685 RWKQHHXFESRMQX-UHFFFAOYSA-N 309.287 3.248 10 10 DGCE COc1nscc1CN(C)Cc1c(O)cc(C)cc1Cl 1183991608 MKGYQPWELUWXFB-UHFFFAOYSA-N 312.822 3.451 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N(C1CC1)[C@@H]1CCc2ccccc21 1292190359 VMUKKBQTYQYFPA-QGZVFWFLSA-N 323.392 3.319 10 10 DGCE O=[N+]([O-])c1ccc2c(c1)CN(Cc1cc3c(cc1O)CCC3)C2 1322141558 QDZCTENUDWEZEK-UHFFFAOYSA-N 310.353 3.305 10 10 DGCE O=C(NCc1cc(O)ccc1O)[C@H]1CCC[C@@H](C(F)(F)F)C1 1455355569 CWOQOUCLMHAYPD-GXSJLCMTSA-N 317.307 3.083 10 10 DGCE O=C(C[C@H]1CCCc2ccccc21)NCc1c(O)cccc1O 1472063018 BZEXPMQTSMQDSJ-CQSZACIVSA-N 311.381 3.224 10 10 DGCE COc1cc(NC(=O)OC(C)(C)C)ccc1[C@H](CO)N=[N+]=[N-] 1535998769 JDHBJNWJNDJUOU-NSHDSACASA-N 308.338 3.386 10 10 DGCE CCOC(=O)CN(Cc1ccc(N(C)CC)cc1)CC(C)C 1615285525 HGUHWOSMOQDOMP-UHFFFAOYSA-N 306.450 3.164 10 10 DGCE CCOc1ccc(N(CC)CCNC(=O)OC(C)(C)C)cc1 1616179965 JXCZXOFCUUSROY-UHFFFAOYSA-N 308.422 3.436 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H]2c2ccncc2)cc1 1629277109 CXGQPVWOCBHMFW-HNNXBMFYSA-N 323.356 3.221 10 10 DGCE C[C@H](NC(=O)c1cc2ccccc2nc1O)c1ccccc1O 1635798878 GHPKZXADHRLVCT-NSHDSACASA-N 308.337 3.137 10 10 DGCE Cc1cc(CC(=O)NOC/C=C/Cl)c(C)n1-c1ccccc1 1642038188 RCIGYLARVJJSEF-RMKNXTFCSA-N 318.804 3.437 10 10 DGCE CCOC(=O)c1cnc(Sc2ccc3[nH]ncc3c2)s1 1642789689 RVZYPRPZZMWMJE-UHFFFAOYSA-N 305.384 3.347 10 10 DGCE Cc1oncc1CNC(=O)c1ccc(-n2c(C)ccc2C)cc1 1647835082 XPVHWYBOASJWCE-UHFFFAOYSA-N 309.369 3.321 10 10 DGCE Cc1cc(C(=O)Nc2ccc(Cc3ccc(N)cc3)cc2)no1 1866049811 GFBHHDVSQLNFEQ-UHFFFAOYSA-N 307.353 3.408 10 10 DGCE Oc1cccc(Br)c1CNC[C@H]1C[C@@]12CC2(F)F 1876070290 RUUJGRXXJAGNMW-PRHODGIISA-N 318.161 3.290 10 10 DGCE C[C@H](NCc1cc(Br)cc(F)c1O)C1CSC1 1942241170 KEPUSMSFUAAOAA-ZETCQYMHSA-N 320.227 3.135 10 10 DGCE CC(C)(C)OC(=O)Nc1cccc([C@H]2CC(F)(F)CN2)c1O 1952961905 WJXIIOGHZPFEDH-LLVKDONJSA-N 314.332 3.409 10 10 DGCE C[C@H]1C[C@H](CCNC(=O)OC(C)(C)C)CCN1CCN=[N+]=[N-] 1962303461 HPOKDKKNIQWLFV-QWHCGFSZSA-N 311.430 3.312 10 10 DGCE CCN[C@H](C[C@@H]1CCN1C(=O)OC(C)(C)C)c1ccccc1O 1979140106 KFCAOPCYRNVYEC-DZGCQCFKSA-N 320.433 3.442 10 10 DGCE N[C@H]1CCc2cc(N(Cc3ccccc3)[C@H](CO)C3CC3)ccc21 2012707571 WGELIAAMIZZGTR-LEWJYISDSA-N 322.452 3.410 10 10 DGCE O=C(O)C=Cc1ccc(N2CC3CC2C3)c(Br)c1 2034317373 GEQGDFJWJSGBCJ-UHFFFAOYSA-N 308.175 3.146 10 10 DGCE CCNCc1ccc(N2CC3(F)CC2C3)c(Br)c1 2048733081 YONRITXPSCMHPR-UHFFFAOYSA-N 313.214 3.249 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@H](F)C[C@@H](F)C2)c(Br)c1 2062397288 SYBHGMCEHGPDDA-FBIMIBRVSA-N 320.177 3.389 10 10 DGCE CC1(c2nn(Cc3cccc(F)c3O)c(N)c2C2CC2)CC1 2079772912 VWQLLPSBLVQPIG-UHFFFAOYSA-N 301.365 3.287 10 10 DGCE COc1ccc(O)c(CNc2ccc(C)nc2Br)c1 2125205309 AAYOXJCISFRDDA-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE COc1cccc(CNCc2csc(C(F)F)n2)c1O 2188735937 MVRPGFQMPGTFFY-UHFFFAOYSA-N 300.330 3.085 10 10 DGCE CN(Cc1cc(F)cc(F)c1O)C[C@@](C)(F)C(F)(F)F 2191874171 NQYRWEVHRSBZEH-LLVKDONJSA-N 301.230 3.393 10 10 DGCE Cc1sc(C(=O)NCCN=[N+]=[N-])c(Br)c1C 2211924253 USUURNVRRGLMAC-UHFFFAOYSA-N 303.185 3.168 10 10 DGCE COc1cc(OC)c(N(CCCO)C(C)(C)C)cc1Cl 2285920596 URKGRMZWEHIDFD-UHFFFAOYSA-N 301.814 3.345 10 10 DGCE COc1cccnc1N(C)C(=O)C=Cc1cn(C)c2ccccc12 2303610219 PVNXAICEFOXUQS-UHFFFAOYSA-N 321.380 3.258 10 10 DGCE C[C@@H]1Cc2cc(O)c(O)cc2[C@H](c2ccc(O)c(O)c2)[C@@H]1C 14726793 MUBLYIKZGKHTMF-MHNGPXOMSA-N 300.354 3.469 10 10 DGCE biogenic CC[C@@H](Nc1ccc(S(C)(=O)=O)cc1)c1ccccc1O 21804892 PKCQBYDBQAWHTE-OAHLLOKOSA-N 305.399 3.359 10 10 DGCE Cc1cc(Cl)ccc1OC[C@H](O)COc1ccc(N)cc1 51327635 TYRMUCGBMPJRGY-CQSZACIVSA-N 307.777 3.049 10 10 DGCE Cc1cccc(CNCc2cccc(Br)c2O)n1 51575730 QSUKLTFTPNEMLS-UHFFFAOYSA-N 307.191 3.148 10 10 DGCE COc1cc(Br)cc(CNCCC(C)C)c1O 76276076 NMZOEUZHOAHTME-UHFFFAOYSA-N 302.212 3.299 10 10 DGCE CN(C(=O)COCc1cccc(Cl)c1)c1ccc(N)cc1 87091375 NYPUNMHELIPKFF-UHFFFAOYSA-N 304.777 3.102 10 10 DGCE CCCN[C@]1(C(=O)O)CCC[C@@H]1CCSc1nccs1 93629924 DULJNWJWGFEMRF-BXUZGUMPSA-N 314.476 3.248 10 10 DGCE O=C(Nc1c(Cl)ccc2nsnc12)c1cccc(O)c1O 126454993 PVGSXAXDHZCUHY-UHFFFAOYSA-N 321.745 3.008 10 10 DGCE Cc1cc(/C=C/C(=O)N2CCC[C@H](N)C2)c(C)n1-c1ccccc1 158531102 NMXFAMSMKNXHMB-ZGKFYVQTSA-N 323.440 3.057 10 10 DGCE CSc1ccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)cc1 180973801 YYKXMYOSUMZMNR-WEVVVXLNSA-N 315.394 3.149 10 10 DGCE C[C@H](NCC[C@@H](C)NC(=O)OC(C)(C)C)c1ccc(O)cc1O 227670231 FFUDPZPLOCEIAN-NEPJUHHUSA-N 324.421 3.052 10 10 DGCE CC[C@@H](CN[C@H](C)c1cc(O)ccc1O)NC(=O)OC(C)(C)C 227716666 IYAFFIIJKBBSQQ-NEPJUHHUSA-N 324.421 3.052 10 10 DGCE COc1cc(Cl)cc(CN[C@@H]2CCC[C@@H]2SC)c1O 230934918 BOIBWAMEMISNRA-YPMHNXCESA-N 301.839 3.428 10 10 DGCE Cc1cnc(CNC(=S)Nc2cc(C)ccc2O)c(C)c1 243445501 NEIIHSIFDUJNEK-UHFFFAOYSA-N 301.415 3.199 10 10 DGCE COc1ccc2ccc(O)c(CN3CC[C@H](C)[C@H](OC)C3)c2c1 249968637 XICPVVLCPDKUTQ-ORAYPTAESA-N 315.413 3.411 10 10 DGCE CN[C@@H](C)c1ccc(N(C)[C@H](C)COC)c(Br)c1 250986574 KMUIYKTYWITNBH-MNOVXSKESA-N 315.255 3.201 10 10 DGCE CN(Cc1cc(Cl)cc(Cl)c1O)[C@H]1CC[C@H](O)CC1 275954926 JRTDWYJFABGPCH-HAQNSBGRSA-N 304.217 3.434 10 10 DGCE Cc1cccnc1CCNCc1cc(Br)ccc1O 295071132 RBDIIPKNIVZRDO-UHFFFAOYSA-N 321.218 3.190 10 10 DGCE CC[C@H]1CCCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 301091148 OYDFWKATPYRMSV-XOVSCCBYSA-N 318.373 3.407 10 10 DGCE c1cc(N2CCOCC2)ccc1CNC[C@@H]1C[C@H]2CC[C@H]1C2 378905919 YZMKTFQZXKRIHK-BZSNNMDCSA-N 300.446 3.049 10 10 DGCE c1cc(N2CCOCC2)ccc1CNC[C@@H]1CC[C@@H]2C[C@H]2C1 403174553 DRAWCMDCJMZFIT-KZNAEPCWSA-N 300.446 3.049 10 10 DGCE O=C(NCc1ccccc1O)[C@@H]1[C@H]2Cc3c(Cl)cccc3[C@H]21 528855187 PLEQQKJPYPKTKR-IAOVAPTHSA-N 313.784 3.248 10 10 DGCE COc1ccc(O)c(CNC(=O)C2(C)CCC(F)(F)CC2)c1 528862798 NVLFEMNLQIBAPY-UHFFFAOYSA-N 313.344 3.233 10 10 DGCE CN(CCc1ccc(Br)cn1)c1ccc(N)cc1 695738470 GMWWPUZJEXQXTK-UHFFFAOYSA-N 306.207 3.105 10 10 DGCE C[C@H]1CN(Cc2cc(Cl)ccc2O)C[C@@](C)(C(F)F)O1 698930094 YRDBZNBOBKENDQ-XPTSAGLGSA-N 305.752 3.290 10 10 DGCE CN(Cc1nc2c(s1)CCCC2)C(=O)c1cc(O)cs1 747522741 RPVLVJGLTWLVFE-UHFFFAOYSA-N 308.428 3.061 10 10 DGCE CN1CCCc2cc(/C=C3/N=C(c4ccccc4)OC3=O)ccc21 748044870 NHCWJPZZDUJGGL-GHRIWEEISA-N 318.376 3.414 10 10 DGCE COc1ccc(O)c([C@@H](C)NCC[C@H](OC)C(F)(F)F)c1 786953127 KRZPGHBSQSGUOL-RNCFNFMXSA-N 307.312 3.019 10 10 DGCE Oc1ccc2ccccc2c1CN1CCOC[C@@H]1CC(F)F 795729793 KNRASJPAKLJSSA-ZDUSSCGKSA-N 307.340 3.401 10 10 DGCE CCOc1ccc(CN2CCCC[C@H]2c2ccnn2C)c(O)c1 798960267 DOQSHZPBWPEXRK-KRWDZBQOSA-N 315.417 3.252 10 10 DGCE Cc1ccccc1[C@]1(F)CCN(C(=O)c2cc(O)cs2)C1 800698974 SKPCSEMKTWSUQB-INIZCTEOSA-N 305.374 3.473 10 10 DGCE CC1(C)CC(C(=O)NCc2cc(Br)ccc2O)C1 804738961 KRNPUMPZGYORDA-UHFFFAOYSA-N 312.207 3.207 10 10 DGCE Cc1cc(C(=O)NN2CCCC2)c(C)n1-c1ccc(Cl)cc1 808010221 OXYJNKSAZVAFSR-UHFFFAOYSA-N 317.820 3.488 10 10 DGCE C[C@H](N[C@@H]1CNCC[C@@H]1C)c1ccc(N2CCCCC2)c(F)c1 817967208 FOCKMFTUGGSIET-RLFYNMQTSA-N 319.468 3.465 10 10 DGCE Cc1cccc([C@H](O)CNC/C=C/c2ccc(N(C)C)cc2)c1 835043882 UWAQANYVTNALOB-ZEZYUPADSA-N 310.441 3.397 10 10 DGCE Cc1cc(O)c(CNC[C@@H](O)CCc2ccccc2)c(Cl)c1 840939734 PBXYQIHYILCZIF-HNNXBMFYSA-N 319.832 3.437 10 10 DGCE Cc1cc(O)c(CN2CC[C@@H](N3CCCC3)[C@@H]2C)c(Cl)c1 840946000 FELNHNXLAMFXCT-XJKSGUPXSA-N 308.853 3.413 10 10 DGCE Cc1cc(Cl)cc(CN2CCC[C@H]([C@@H]3CCCN3)C2)c1O 843046033 SVEAFAOLWJJPQA-BBRMVZONSA-N 308.853 3.318 10 10 DGCE Cc1cc(Cl)cc(CN2CCC[C@@H]([C@@H]3CCCN3)C2)c1O 843046034 SVEAFAOLWJJPQA-CJNGLKHVSA-N 308.853 3.318 10 10 DGCE c1cc(N2CCCC2)ccc1CN[C@@H]1CCCN2CCCC[C@@H]12 848575880 XMVZTKJLJUCHBS-UXHICEINSA-N 313.489 3.393 10 10 DGCE COc1ccc(N2CC[C@@H](NCc3ccc(Cl)o3)C2)cc1 850345791 KOMOHBDOPAXJFZ-GFCCVEGCSA-N 306.793 3.310 10 10 DGCE C[C@H](N[C@H]1CCC[C@@H]1Cc1cnn(C)c1)c1ccc(F)cc1O 850540055 HVWXUHKFVNJQMK-QEORTHHSSA-N 317.408 3.327 10 10 DGCE C[C@H]1CC(=O)N(C)c2ccc(NC(=O)c3cc(O)cs3)cc21 863539714 IIVLJWGKKZMYHQ-VIFPVBQESA-N 316.382 3.176 10 10 DGCE C[C@H](N[C@@H]1CC[C@@H](C)NC1)c1ccc(N2CCCCC2)cc1 863545398 QRLUIVGEWXFPEZ-SOLBZPMBSA-N 301.478 3.468 10 10 DGCE CC(=O)c1cc(Cl)cc(CN[C@@H]2CCNC23CCCC3)c1O 903487016 ZUQBPRIFXFMYBG-OAHLLOKOSA-N 322.836 3.013 10 10 DGCE CC(C)Oc1cccc(CC(=O)NCc2c(O)cccc2F)c1 928712630 UVSHMHFCGNBRDM-UHFFFAOYSA-N 317.360 3.177 10 10 DGCE CCOc1ccc(N(Cc2nnc(OC)s2)CC2CC2)cc1 931380842 RZRGNIPVDJUKJP-UHFFFAOYSA-N 319.430 3.362 10 10 DGCE COC(=O)c1ccccc1N=Nc1ccc(O)c(C(=O)O)c1 1081393618 HHZUILXFCBMWFQ-UHFFFAOYSA-N 300.270 3.292 10 10 DGCE CNc1ncccc1C(=O)NCc1ccc(N2CCCCC2)cc1 1142847033 HJGXMHFNFRGZQZ-UHFFFAOYSA-N 324.428 3.044 10 10 DGCE Cc1cc(C(=O)N2Cc3cccc(O)c3C2)c(C)n1CC1CC1 1330661166 AQPXPGRTUCHLLQ-UHFFFAOYSA-N 310.397 3.377 10 10 DGCE Cc1cc(CN2CC[C@H](O)[C@@H]3CCCC[C@H]32)ccc1N(C)C 1473737492 KRYFRZGGVIJHGU-QRQLOZEOSA-N 302.462 3.186 10 10 DGCE C[C@H](NC(=O)NCc1noc2ccccc12)c1ccccc1O 1479288808 RMBFQYVZRFKSJR-NSHDSACASA-N 311.341 3.094 10 10 DGCE CCN(C(=O)/C=C\c1cn(C)cn1)c1ccc(Cl)c(F)c1 1530330701 UANUQEJTKQLYFP-DAXSKMNVSA-N 307.756 3.279 10 10 DGCE Cc1cncc(/C=C\C(=O)N2CCOc3c(C)cc(C)cc32)c1 1538075644 AQOQZBXQYXZWHI-PLNGDYQASA-N 308.381 3.446 10 10 DGCE Cc1ccc(C(=O)Nc2ccc3nc(O)cc(C)c3c2)c(O)c1O 1585113949 FAUVIGQQBDUZKP-UHFFFAOYSA-N 324.336 3.221 10 10 DGCE O=C(N[C@H]1C[C@H](c2ccccc2F)C1)c1c(F)ccc(O)c1O 1638644099 JLJKCDBKONYIAC-MGCOHNPYSA-N 319.307 3.052 10 10 DGCE Nc1c(Cl)cc(Cl)cc1C(=O)N1Cc2cccc(O)c2C1 1643173483 JQHBYVRAHIUVHG-UHFFFAOYSA-N 323.179 3.437 10 10 DGCE Oc1cc(Cl)ccc1CN1CCO[C@H](CC(F)(F)F)C1 1658598285 FPJVNPAGVIARCR-LLVKDONJSA-N 309.715 3.199 10 10 DGCE COC(=O)Nc1cccc(C(=O)Nc2cccc(N(C)C)c2)c1 1859132987 SNPUEEYWFQWMEZ-UHFFFAOYSA-N 313.357 3.183 10 10 DGCE COc1ccccc1/N=N/N1CCN(C(=O)OC(C)(C)C)CC1 1860486067 MADZHOSYJCLBOW-ISLYRVAYSA-N 320.393 3.247 10 10 DGCE CN(CCN=[N+]=[N-])Cc1ccc(I)cc1 1912186492 DXRNMHKRGCZUCL-UHFFFAOYSA-N 316.146 3.033 10 10 DGCE CCCN(c1ccc([C@@H](C)N)c(Br)c1)C1COC1 1915643519 LRKJCQLLNBHGOH-SNVBAGLBSA-N 313.239 3.084 10 10 DGCE CCc1csc(CNCc2cc(Cl)cc(OC)c2O)n1 1926350262 SAEMDMDJTZHFDN-UHFFFAOYSA-N 312.822 3.363 10 10 DGCE Cc1ccnc(CN(C)c2ccc(N)cc2)c1Br 1926834066 QXXVRHKNVNEMKR-UHFFFAOYSA-N 306.207 3.371 10 10 DGCE Brc1cccc(CNCc2ccc3c(c2)CCO3)n1 1962736994 GNVGKAZEKCOSQI-UHFFFAOYSA-N 319.202 3.069 10 10 DGCE CC(C)(C)[C@](C)(O)CNCc1cccc(Br)c1O 1964603838 CCZJCQLCWFYMOJ-CQSZACIVSA-N 316.239 3.041 10 10 DGCE CC(C)[C@H](CN)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 1977912241 ZGASPWGDPURKEU-INIZCTEOSA-N 321.465 3.131 10 10 DGCE CC(C)(C)OC(=O)Nc1ccc(F)cc1C(=O)NCCN=[N+]=[N-] 1985100830 JNZHLFVMUWCCQU-UHFFFAOYSA-N 323.328 3.213 10 10 DGCE NCc1ccc(N2CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1 2003121916 SOTQEVXUSZQDAV-VQTJNVASSA-N 321.468 3.104 10 10 DGCE C[C@H]1CCO[C@H]1CN(C)Cc1cccc(Br)c1O 2034984342 JKESDGGFFTYKNJ-GWCFXTLKSA-N 314.223 3.012 10 10 DGCE CC[C@@H](NCc1conc1Br)c1ccccc1O 2222853604 XKZDQTWBFDCJTI-LLVKDONJSA-N 311.179 3.384 10 10 DGCE COc1cccc(CNc2cc(Br)cnc2C)c1O 2265171427 SYZBRSOHQQYSJT-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE Oc1ccc(C=Cc2nc(-c3ccc4c(c3)CCO4)no2)cc1O 2308907974 HZVCNCBBLVNULZ-UHFFFAOYSA-N 322.320 3.253 10 10 DGCE Cc1ccc(C(=O)O)cc1/N=N\c1c(C(=O)O)nc2ccccn12 71581156 NRUZKNGKMQZELW-HNENSFHCSA-N 324.296 3.455 10 10 DGCE c1cc(N2CCOCC2)ccc1CN1C[C@@H]2CCCC[C@H]2C1 93441971 GKKNWJWZXRGXBS-ROUUACIJSA-N 300.446 3.145 10 10 DGCE CN(C(=O)/C=C/c1cnn(-c2ccccc2)c1)c1ncccc1F 130846034 YUEYNSVNBPXIPE-MDZDMXLPSA-N 322.343 3.083 10 10 DGCE Nc1ccc(CCNC(=O)CCOc2cccc(Cl)c2)cc1 152567402 GRNPWXBQOFTNFZ-UHFFFAOYSA-N 318.804 3.050 10 10 DGCE CC[C@@H](C)c1cc(C(=O)N[C@H](C)c2cc(OC)ccc2O)on1 173131361 JGDCZYMKCWXLOQ-GHMZBOCLSA-N 318.373 3.393 10 10 DGCE CCCOc1ccc(CNC[C@@](C)(O)c2ccc(C)o2)c(O)c1 174495901 SZWKWNGKTNYMJT-GOSISDBHSA-N 319.401 3.080 10 10 DGCE Cc1ccc(-n2c(C)cc(/C=C/C(=O)N3CC[C@@H](O)C3)c2C)cc1 174580475 WBCNRIDYVAOBSE-MBNRZODZSA-N 324.424 3.009 10 10 DGCE C[C@@H](NCC[C@@H]1C(=O)Nc2ccccc21)c1ccc(F)cc1O 185878195 DDBQAOSNCSMHPW-ABAIWWIYSA-N 314.360 3.308 10 10 DGCE CCN(CC)c1ccc(CNC(=O)c2ccc(COC)o2)cc1 193747417 KOLICKWDNKYCTR-UHFFFAOYSA-N 316.401 3.202 10 10 DGCE Cc1ccc(O)c(NC2=NC(=O)/C(=C/c3cccn3C)S2)c1 210612846 NADLHAZMGXVJLO-ZROIWOOFSA-N 313.382 3.122 10 10 DGCE OCc1ccccc1NCc1cc(Br)ccc1O 226644721 YSEZWJWSNNNPIQ-UHFFFAOYSA-N 308.175 3.259 10 10 DGCE Cc1ccc([C@@H](C)NCc2ccc(CO)c(F)c2)c(O)c1C 273379305 HVTWZKVKDISICZ-CYBMUJFWSA-N 303.377 3.491 10 10 DGCE Cc1cc(O)c(CNCc2ccnc(OC(F)F)c2)cc1C 284213568 ZPHXQECDLGTXHX-UHFFFAOYSA-N 308.328 3.295 10 10 DGCE CN(C)[C@@H]1CCCN(Cc2cc(Cl)c(F)cc2O)CC1 294754299 RPSANJLLEVVYJZ-GFCCVEGCSA-N 300.805 3.101 10 10 DGCE Oc1ccc(Cl)c(F)c1CNC[C@@H]1CCN1C1CCCC1 527805564 BNBJSDBZVLVOEM-LBPRGKRZSA-N 312.816 3.291 10 10 DGCE C[C@@H](NC[C@@]1(C)COc2ccccc2O1)c1cc(F)ccc1O 527929085 GBFGNFZAGPCOGQ-XIKOKIGWSA-N 317.360 3.412 10 10 DGCE O=C(Nc1ccc(Cl)cc1Cl)c1cc(O)c(O)c(O)c1 586737406 BLRWJDSRDRODJF-UHFFFAOYSA-N 314.124 3.363 10 10 DGCE Oc1c(F)cc(Br)cc1CNOCC1CCC1 715719312 RSBXQFWBLZULGA-UHFFFAOYSA-N 304.159 3.115 10 10 DGCE COC(C)(C)[C@H](C)NCc1cc(Br)cc(F)c1O 720148149 JMEQFMKQWONIDK-QMMMGPOBSA-N 320.202 3.197 10 10 DGCE CCOC(=O)C1CCC(Sc2ncc(C(=O)O)s2)CC1 720414223 TYIJQYZVWGOWSP-UHFFFAOYSA-N 315.416 3.055 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)N1CCCC(C)(C)C1 734687910 XGYPGYXPNUKRQM-UHFFFAOYSA-N 303.450 3.393 10 10 DGCE COc1ccc(N2CCN(C(=O)/C=C3/CC[C@@H](C)C3)CC2)cc1 753561963 FUXFWIIOTNXETP-VZHUHSAUSA-N 314.429 3.090 10 10 DGCE CC(=O)CCN(C)C(=O)c1sccc1-n1c(C)ccc1C 768354116 PBWPZNQDCHXOFV-UHFFFAOYSA-N 304.415 3.207 10 10 DGCE CCCN(CCC)S(=O)(=O)Nc1cc(C)c(O)c(C)c1C 775291822 POHLWETWUDASBS-UHFFFAOYSA-N 314.451 3.096 10 10 DGCE Cc1cc(CN2CCC(CN3CCCC3)CC2)ccc1N(C)C 815020436 YKBUNSYLFQYXBP-UHFFFAOYSA-N 315.505 3.369 10 10 DGCE C[C@H](N[C@@H]1CCCN(C)C1)c1cccc(C(F)(F)F)c1O 815563998 UPOZNXXKNZXANP-WDEREUQCSA-N 302.340 3.156 10 10 DGCE C[C@@H]1Cc2cccc(C(=O)N(C)Cc3ccc(N(C)C)cc3)c2O1 823709401 QXEAYWKRAMEZCR-CQSZACIVSA-N 324.424 3.348 10 10 DGCE O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CC[C@H]2C[C@H]2C1 825722355 XNSDDANZDLRLKZ-YESZJQIVSA-N 313.445 3.275 10 10 DGCE COc1cccc(CNCc2c(O)cc(C)cc2Cl)c1O 840947921 CTEXBHFCCFRJBL-UHFFFAOYSA-N 307.777 3.358 10 10 DGCE Nc1ccc(NC(=O)NC[C@H]2CC[C@H](c3ccccc3)O2)cc1 841299285 IDGOKTDOINKDLK-IAGOWNOFSA-N 311.385 3.311 10 10 DGCE CC(C)[C@@H](O)C1(CNC/C=C/c2ccc(N(C)C)cc2)CC1 842207631 OOHVKDZCGYKJDY-DUMMIQTOSA-N 302.462 3.153 10 10 DGCE COC(=O)c1cccc2c1CN(Cc1cc(C)ccc1O)CC2 843429525 DRPRUAMVQIAPNU-UHFFFAOYSA-N 311.381 3.046 10 10 DGCE COc1ccc(N2CC[C@H](NCc3ccc(F)cc3)C2)cc1 850345864 MQXIYWLXYXHVSO-INIZCTEOSA-N 300.377 3.203 10 10 DGCE Oc1cc2c(cc1CN1CCCC[C@@H]1CC1CCC1)[C@@H](O)CO2 853607795 VXOSWQMKGYYXAY-QAPCUYQASA-N 317.429 3.363 10 10 DGCE COc1ccc(N2CC[C@H](Nc3nc(C4CC4)ns3)C2)cc1 853758698 JIXOECAFNLVDES-LBPRGKRZSA-N 316.430 3.115 10 10 DGCE CN(C)c1cc(F)c(CN2CC[C@@H]([C@@H]3CCCO3)C2)cc1F 895846414 UBKFKXDIUAGFLR-PXAZEXFGSA-N 310.388 3.032 10 10 DGCE CSCC[C@@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 896460695 XILXUJUIXKOWPE-MRVPVSSYSA-N 311.428 3.184 10 10 DGCE O=C(NC[C@@H]1CCCSC1)c1cc2cc(O)c(O)cc2s1 897771818 YMMAICZNEWAQHL-VIFPVBQESA-N 323.439 3.186 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(Cl)o1 935946310 FGTHCBCYUMOXSB-UHFFFAOYSA-N 300.738 3.054 10 10 DGCE Cc1ccc(NC(=O)CN[C@H](C)c2ccccc2O)cc1F 1175418886 PGLVXHNBZQKICI-GFCCVEGCSA-N 302.349 3.129 10 10 DGCE Cc1ccccc1CCNC(=O)c1ccc(N=NC(N)=O)cc1 1294539592 JFICOXHTOJMLGK-UHFFFAOYSA-N 310.357 3.130 10 10 DGCE CN(Cc1ccccc1O)C(=O)c1c(F)ccc2ccncc12 1465842763 AJQLMYDDZCBQKX-UHFFFAOYSA-N 310.328 3.352 10 10 DGCE Oc1cc(Cl)ccc1CNC[C@H]1CC[C@H](C(F)(F)F)O1 1561004720 TVGVLFHVZISORR-ZYHUDNBSSA-N 309.715 3.245 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cnc(C2CC2)[nH]1 1623550270 VXJSNPAPFAFLPE-UHFFFAOYSA-N 324.428 3.160 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCCC12CCCCC2 1629302047 MWXUAZMQCGILRT-MRXNPFEDSA-N 303.402 3.260 10 10 DGCE Cc1ccc(NC(=O)CNCc2ccc(N(C)C)cc2)cc1C 1857855034 MBRSFDMOXAUXGH-UHFFFAOYSA-N 311.429 3.098 10 10 DGCE CCOC(=O)N1CCN(/N=N/c2ccc(Cl)cc2C)CC1 1860481170 RABKWSDZTQOJPU-WUKNDPDISA-N 310.785 3.421 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN(Cc2cncc(Br)c2)C1 1912179922 YVIASOKTFYXVKZ-JTQLQIEISA-N 310.199 3.366 10 10 DGCE CCN(CCSC)c1c(F)cc(CNC2CC2)cc1F 1917021385 INEUUQBZWDECHZ-UHFFFAOYSA-N 300.418 3.406 10 10 DGCE CC(C)(C)OC(=O)NCc1ccc([C@H](N)c2ccccc2O)o1 1936973372 GMWILBUNGFPYBS-OAHLLOKOSA-N 318.373 3.058 10 10 DGCE C[C@@H](N)c1cnc(Sc2cncc(Br)c2)s1 1976521112 NUDNVIISYKGMRJ-ZCFIWIBFSA-N 316.249 3.472 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H](Nc2ccc(N)cc2)[C@H]2CCC[C@H]21 1977662074 FMNYXGHYHGBTOO-OWCLPIDISA-N 317.433 3.469 10 10 DGCE COc1ccc(N2CCC[C@@H](OCc3ccccc3)C2)c(N)c1 1987055112 TTWCYFAHKGDGAW-QGZVFWFLSA-N 312.413 3.463 10 10 DGCE CSCC1CN(c2ccc([C@@H](C)N)cc2Br)C1 1998191735 NSSSZGPTITUHHQ-SECBINFHSA-N 315.280 3.268 10 10 DGCE CNCc1ccc(N2CC[C@H](C)[C@H](F)C2)cc1Br 2034806936 FUNKVLDYPKOOCV-IINYFYTJSA-N 315.230 3.353 10 10 DGCE Oc1c(Br)cccc1CNC[C@@H]1CCCCCO1 2035189701 PPJKLYVMOKMFLR-LBPRGKRZSA-N 314.223 3.204 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@H]3C[C@H]2[C@H]2C[C@H]32)c(Br)c1 2041531838 CTWIJFZGOBJDKG-LXRNVZLWSA-N 307.235 3.313 10 10 DGCE Oc1c(F)cc(Br)cc1CNC1[C@@H]2C[C@@H]2[C@H]2C[C@@H]12 2047794502 JTPNYYFKMOJIEJ-GWOFURMSSA-N 312.182 3.038 10 10 DGCE Oc1c(F)cc(Br)cc1CN[C@@H]1C[C@@]12CC2(F)F 2052007980 AWXFNAHFSUBZGP-MWLCHTKSSA-N 322.124 3.181 10 10 DGCE COc1cc(C=C2SC(=S)N(C(C)C)C2=O)ccc1O 2053498826 SYMROXXCJHLMJC-UHFFFAOYSA-N 309.412 3.010 10 10 DGCE [N-]=[N+]=NCC1(CNC(=O)c2cccc(Br)c2)CC1 2054030500 MAHMTSJKGROKJZ-UHFFFAOYSA-N 309.167 3.269 10 10 DGCE C[C@H](c1cc(Cl)ccc1O)N1CCC[C@@]12CC[S@](=O)C2 2158513105 YIUFEGPABKGJLB-SZELWCTASA-N 313.850 3.094 10 10 DGCE CN1CCc2cc([C@@H](N)[C@@H](O)c3sccc3Cl)ccc21 2163128906 YKKZLKVCUWAAMX-ZIAGYGMSSA-N 308.834 3.127 10 10 DGCE COCCN(c1cc(Cl)c(CN)cc1F)[C@H](C)C1CC1 2177386112 WDHLVNFNVGQXIS-SNVBAGLBSA-N 300.805 3.189 10 10 DGCE CN[C@H](C)c1ccc(N(C)[C@@H]2COCC2(F)F)c(Cl)c1 2197010147 FTGIXESBTDXUBK-NOZJJQNGSA-N 304.768 3.091 10 10 DGCE C[C@H](O)c1ccc(N(C)C[C@@H](F)[C@@H]2CCOC2)cc1Cl 2238343266 MUKWIVYNJZMEQX-FIXISWKDSA-N 301.789 3.204 10 10 DGCE CCN[C@@H](C)c1ccc(N(C)Cc2nncs2)c(Cl)c1 2281377048 PKPXHZMNNAZXPN-JTQLQIEISA-N 310.854 3.498 10 10 DGCE CSc1ncc(CN2C[C@@H](C)[C@@H](CNCC(C)C)C2)s1 2284720730 JLMDLKNAQFQDMH-OLZOCXBDSA-N 313.536 3.179 10 10 DGCE C[C@@H](CNCc1cc(Cl)cc(Cl)c1O)Cc1cn[nH]c1 2290422173 GBNDRXVGSZRGTK-SECBINFHSA-N 314.216 3.391 10 10 DGCE O=C1C(=Cc2cccs2)SC(=S)N1C[C@@H]1CCCO1 2296663489 YTSZOJKTVYQDKG-VIFPVBQESA-N 311.453 3.128 10 10 DGCE Cc1cncc(C=CC(=O)N2C[C@@H](C)Oc3cc(F)ccc32)c1 2302389047 NKQIQHSHUUVRQS-CYBMUJFWSA-N 312.344 3.356 10 10 DGCE Cc1oc2ccccc2c1CNC(=O)C=Cc1ccc(O)c(O)c1 2309376672 AKQCHEZFQBYWIX-UHFFFAOYSA-N 323.348 3.482 10 10 DGCE Cc1ccc(CN[C@H](C)[C@@H]2CCCO2)c(O)c1Br 2327620170 AHMFSQUIJNBMKK-PWSUYJOCSA-N 314.223 3.120 10 10 DGCE CSc1cccc(N=NN2CCN(c3ncccn3)CC2)c1 2330237273 LIMWUHFPVQXYPE-UHFFFAOYSA-N 314.418 3.019 10 10 DGCE Oc1c(F)cc(F)cc1CNCc1ncc(C(F)F)s1 2369609247 WWOMGPGKWSMVQN-UHFFFAOYSA-N 306.284 3.354 10 10 DGCE CC[C@H]1CCC[C@@](NCc2cnc(SC)s2)(C(=O)O)C1 2371755007 HMANFNIMDGVNDS-HZMBPMFUSA-N 314.476 3.378 10 10 DGCE CCC1(CC)CCN(S(=O)(=O)Cc2ccc(N)cc2)CC1 62952779 WZRWIOJUWVUUJQ-UHFFFAOYSA-N 310.463 3.001 10 10 DGCE O=C(O)C1CCN(/N=N/c2cccc(Br)c2)CC1 1860481625 LAIUNTQLKDCRJM-CCEZHUSRSA-N 312.167 3.244 10 10 DGCE C[C@H](C1CC1)N(CC(F)(F)F)C(=O)Cc1ccc(N)cc1 37805078 FONGYNDOJVRRDS-SNVBAGLBSA-N 300.324 3.001 10 10 DGCE COc1ccc(N2CC[C@H](O)C[C@@H]2C(F)(F)F)cc1Cl 2361532269 HRRYQASJPCQZCX-JOYOIKCWSA-N 309.715 3.241 10 10 DGCE COc1cc([C@H](NN)c2ccc(N(C)C)cc2)sc1Cl 2365845932 SPBBVBDCTDGFHP-CYBMUJFWSA-N 311.838 3.029 10 10 DGCE COc1ccc(CNC[C@@H]2CCO[C@H]2c2ccccc2)c(O)c1 192375485 IENBAFJZAABRAY-LPHOPBHVSA-N 313.397 3.268 10 10 DGCE COc1cc(-c2nc3cccc(Cl)c3n2C)cc(O)c1O 194109728 MQTDZEQRVUKTHA-UHFFFAOYSA-N 304.733 3.314 10 10 DGCE NC1CCN(c2ccc(OCCC(F)(F)F)cc2F)CC1 87439422 WDYBDFWWNOOXSD-UHFFFAOYSA-N 306.303 3.084 10 10 DGCE CN(C)Cc1ccccc1CNCc1c(O)cccc1Cl 83551568 VSONNLYDALYFFI-UHFFFAOYSA-N 304.821 3.397 10 10 DGCE Cc1cccc(NC(=O)c2ccc(O)c(O)c2)c1Br 235925098 OPKNVFGPVZIKMG-UHFFFAOYSA-N 322.158 3.421 10 10 DGCE CCCC1CCN(c2cc3c(cc2Cl)[C@@H](N)C(=O)N3)CC1 92751582 NGFHERGYJRVUFV-OAHLLOKOSA-N 307.825 3.308 10 10 DGCE CC(=O)N(C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(N)cc1 244174846 VFQRBHXILOKGBE-MJFSBKNWSA-N 315.417 3.156 10 10 DGCE CC[C@@H](NC[C@@H]1CCc2nccn2C1)c1ccc(N(C)C)cc1 278913157 GZYALINIOSFROP-MAUKXSAKSA-N 312.461 3.252 10 10 DGCE Oc1ccc2c(n1)CCC[C@@H]2NCc1cc(Cl)c(F)cc1O 294454209 YPEFORKITLSCJW-ZDUSSCGKSA-N 322.767 3.453 10 10 DGCE COCC[C@H](COC)N(C)Cc1cc(Cl)cc(Cl)c1O 2165961166 WVMDDSJQPMRKBY-GFCCVEGCSA-N 322.232 3.182 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)NCC[C@H]1CCOC1 802287313 DAJNUQDMNVOKSU-HNNXBMFYSA-N 320.433 3.131 10 10 DGCE N[C@H](c1ccc(OCc2ccccc2)cc1O)[C@H](O)C1CCC1 396748834 OCJJGDODCLYNPU-RTBURBONSA-N 313.397 3.132 10 10 DGCE COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CC34CC4)c2C)cc1 819625118 MXVGIGDSXQBKMP-KRWDZBQOSA-N 310.397 3.385 10 10 DGCE Nc1c(F)ccc([C@H](C2CCCCC2)N2CCOCC2)c1O 575302346 JIZVXYMBGJKGPJ-INIZCTEOSA-N 308.397 3.067 10 10 DGCE CN(C)c1ccc(/C=C\CN2C[C@@]3(C)COC[C@@]3(C)C2)cc1 827017695 IHNWLJJVTLMDRA-WOQGQJNTSA-N 300.446 3.124 10 10 DGCE CN(C)c1ccc(/C=C/CNCc2nccc(C(F)F)n2)cc1 835054475 VXKKAAIRXDYRIR-ONEGZZNKSA-N 318.371 3.283 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCC[C@@H](n3ccnc3)C2)cc1 835028784 SHFPVUGEKRYWMS-SIEMBAAWSA-N 310.445 3.299 10 10 DGCE COc1cccc(CNC(=S)Nc2cccc(Cl)c2)n1 748044857 MNYSSFWLOCFHKQ-UHFFFAOYSA-N 307.806 3.230 10 10 DGCE NCc1ccc2c(c1)CCCN2Cc1nc(C2CCCC2)no1 843350950 YQSJWLKVDMLSOO-UHFFFAOYSA-N 312.417 3.139 10 10 DGCE COc1ccc(N2CC[C@@H](CNCc3ccnc(C)c3)C2)cc1 858183057 RLPFWPNAFVBXLH-KRWDZBQOSA-N 311.429 3.015 10 10 DGCE COc1ccc(O)c([C@@H](C)NCc2nc3ccc(C)cc3[nH]2)c1 756630997 WXEAXIDVFMCZQC-GFCCVEGCSA-N 311.385 3.436 10 10 DGCE CCOc1ccc(O)c(CNCC2(O)CCC(C)(C)CC2)c1 850393704 FEQPQJKAPQWLIO-UHFFFAOYSA-N 307.434 3.212 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)C(C)(C)C(C)(C)C)C2)cc1 855226991 SEPHMMZGDBPGNX-CQSZACIVSA-N 318.461 3.462 10 10 DGCE O=C(N[C@@H]1CCSC2(CCC2)C1)N1Cc2cccc(O)c2C1 927284064 SPBLNZBCHHJMOY-CYBMUJFWSA-N 318.442 3.236 10 10 DGCE CC(C)c1scnc1NC(=O)NCc1c(O)cccc1F 931454397 KRJKFZYQOMDSSZ-UHFFFAOYSA-N 309.366 3.433 10 10 DGCE Cc1cc(N[C@H](C)c2ccc(F)cc2O)cc(OCCO)c1 774508616 KSONSQSLTWJCPH-GFCCVEGCSA-N 305.349 3.384 10 10 DGCE CC(C)(C)OC(=O)NC1C[C@@H]2CC[C@H](C1)N2CCCN=[N+]=[N-] 1962302521 ZFBMXACANKTBCB-YHWZYXNKSA-N 309.414 3.207 10 10 DGCE Cc1cc(=NC(=O)NCc2ccc(N3CCCC3)cc2)cc(C)[nH]1 1319643054 PMVUKBZGBBKODI-UHFFFAOYSA-N 324.428 3.042 10 10 DGCE CC1(C)[C@H](C(=O)NCc2c(O)cccc2O)[C@H]1c1ccccc1 1178916922 DYNRBGUZRQWMSR-SJORKVTESA-N 311.381 3.154 10 10 DGCE CN(C)c1ccc(CNC(=O)NC(C)(C2CC2)C2CC2)cc1F 1327697235 FVYQGKPVZVGBFH-UHFFFAOYSA-N 319.424 3.270 10 10 DGCE CC[C@@H](N)c1ccc(N2CC3(CN(Cc4ccccc4)C3)C2)cc1 706656711 IAJZQXIBXSWGAH-HXUWFJFHSA-N 321.468 3.419 10 10 DGCE CN(C[C@@H]1CCSC1)c1ccc(CO)c(C(F)(F)F)c1 718391569 BCPOISOOTNIMJW-JTQLQIEISA-N 305.365 3.387 10 10 DGCE CCOc1ccc(N2CCN(CCC[C@@H]3CCOC3)CC2)cc1 1345764474 UWIHHYDAYVSUKN-QGZVFWFLSA-N 318.461 3.024 10 10 DGCE COC(=O)c1cc(OCc2ncoc2C(C)C)ccc1N(C)C 1351782364 PMSGWHRUQPFOIZ-UHFFFAOYSA-N 318.373 3.230 10 10 DGCE CCCONC(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1 1469427935 DLHPVKYYYKIWOZ-UHFFFAOYSA-N 314.385 3.286 10 10 DGCE O=C(CCCc1cc(F)ccc1F)NCc1c(O)cccc1O 1472064000 RRKNMCULTJDJCT-UHFFFAOYSA-N 321.323 3.015 10 10 DGCE CCN(CC)c1ccc(C(=O)NCc2c(O)cccc2F)cc1 1558454929 HUCHNRHBWPHJLW-UHFFFAOYSA-N 316.376 3.308 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)NC[C@@]12CCCC[C@H]1C2 1638438109 UBASNWSTUALNMP-LRDDRELGSA-N 308.809 3.425 10 10 DGCE COc1ccc(N(C)CCN(C)CC=C(Cl)Cl)cc1 1654113872 BKUOGCRCVAAKFW-UHFFFAOYSA-N 303.233 3.382 10 10 DGCE [N-]=[N+]=NC[C@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2O)C1 1912166118 SKYJCVRHVQXWBK-SSDOTTSWSA-N 315.160 3.471 10 10 DGCE O=C(NCc1cccc(Cl)c1O)NC[C@@]12CCCC[C@@H]1C2 1685297624 FRVQCRYXFGGWGB-WBMJQRKESA-N 308.809 3.425 10 10 DGCE CCCNCc1ccc(N2CCN(C)C(C)(C)C2)c(Cl)c1 164076701 KFIYMOVTFQTCHO-UHFFFAOYSA-N 309.885 3.370 10 10 DGCE Cc1nc([C@@H](N[C@H](C)c2ccccc2O)c2ccccc2)n[nH]1 154166453 UXHGDYVOQICPFB-PXAZEXFGSA-N 308.385 3.259 10 10 DGCE Cc1ccc(NC(=O)CNCc2cc(Cl)ccc2O)cc1 1857857599 GMKHXSVXFIQQBP-UHFFFAOYSA-N 304.777 3.082 10 10 DGCE CN(Cc1nccn1Cc1ccccc1)c1ccc(CN)cc1F 1915033725 LGZCISSHFAOYDR-UHFFFAOYSA-N 324.403 3.166 10 10 DGCE CN[C@H](C)c1ccc(N(C)C2CSC2)c(Br)c1 1941421842 YHBGQOBDPUGCHN-SECBINFHSA-N 315.280 3.281 10 10 DGCE C[C@@H]1SCCS[C@@H]1c1noc(-c2ccc(O)c(O)c2)n1 235288982 UXFZGWRCDQPDAB-CPCISQLKSA-N 310.400 3.057 10 10 DGCE O=C(O)C[C@@H](NCc1c(O)cccc1Cl)c1cccs1 127286453 BBCRAHRDFLDHIV-LLVKDONJSA-N 311.790 3.413 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](C(=O)O)C[C@@H]1c1ccccc1O 1952528859 HXGDICLMVSXUTH-WCQYABFASA-N 321.373 3.165 10 10 DGCE CCCC1(NCc2ccc(N)cc2)CN(C(=O)OC(C)(C)C)C1 1988831475 QLFMGOWOHPGBDV-UHFFFAOYSA-N 319.449 3.148 10 10 DGCE CN(C)c1ccc([C@@](C)(N)C(C)(C)NC(=O)OC(C)(C)C)cc1 1991744502 MJJOZKFIEJXJEA-GOSISDBHSA-N 321.465 3.230 10 10 DGCE CN(C)c1ccc([C@H](N)c2ccnn2Cc2ccccc2)cc1 1994398388 KSIFACTZYSTXNR-IBGZPJMESA-N 306.413 3.046 10 10 DGCE Oc1cccc(Br)c1CN[C@H](CF)C(F)(F)F 2012898852 SLNADWFJDMLDJO-SECBINFHSA-N 316.092 3.145 10 10 DGCE Cc1cc(N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)ccc1CO 705943479 ZNEKSOBUWITXDS-BGYRXZFFSA-N 322.452 3.056 10 10 DGCE CN(Cc1cc(Br)ccc1O)C[C@]1(C)CCOC1 687527542 GQUHGGWKWNKXGV-AWEZNQCLSA-N 314.223 3.013 10 10 DGCE Brc1cc(CNCc2ccc3c(c2)CCO3)co1 378972074 JMCKQTVDWPPMKP-UHFFFAOYSA-N 308.175 3.267 10 10 DGCE Clc1cc(CNC2CC2)ccc1N1C[C@H]2CSC[C@H]2C1 711550939 HWVMDINQJJFVTG-BETUJISGSA-N 308.878 3.391 10 10 DGCE COc1ccc([C@H](C)n2nc(C(C)C)cc2C(=O)O)c(O)c1 2069986163 RGYUHLILYICPCH-JTQLQIEISA-N 304.346 3.028 10 10 DGCE CSc1cnn(Cc2c(O)cccc2F)c1Br 2070245657 IDEMTGYEAQFIIZ-UHFFFAOYSA-N 317.183 3.261 10 10 DGCE CN(C(=O)c1cc(N)cc(Cl)c1Cl)c1ccc(N)cc1 2191714484 OSQOORVXNMGELI-UHFFFAOYSA-N 310.184 3.434 10 10 DGCE C[C@@H](N)c1ccc(N(C)C[C@]2(Br)CC2(F)F)cc1 2082510492 PPYFGIOTCYXRIH-BXKDBHETSA-N 319.193 3.315 10 10 DGCE CN(C[C@H](O)c1ccccc1Br)c1ccc(N)cc1 2113398017 VWTUFCPUXKOMKY-HNNXBMFYSA-N 321.218 3.201 10 10 DGCE CSc1ncc(CNCc2ncoc2C(F)(F)F)s1 2208761288 JXQVHGZKZOHJKY-UHFFFAOYSA-N 309.338 3.162 10 10 DGCE COc1ccc(N2CCC(Br)=C(C)C2)c(C=O)c1 2220422368 YHALZIFMUBYTTA-UHFFFAOYSA-N 310.191 3.387 10 10 DGCE CCc1cnn(C)c1NCc1ccc(C)c(Br)c1O 2352951227 DPPQMKLZKSHXCE-UHFFFAOYSA-N 324.222 3.371 10 10 DGCE Cc1cncc(/C=C/C(=O)N2CCc3c(F)cc(F)cc32)c1 178521515 RXLDTKBEZWCPKH-NSCUHMNNSA-N 300.308 3.271 10 10 DGCE C[C@@H](Nc1cc(S(C)(=O)=O)ccc1F)c1ccccc1O 37058229 DUDNGVJPQXYJCL-SNVBAGLBSA-N 309.362 3.108 10 10 DGCE CCN(CC)c1ccc(CN(C)[C@H]2CCN(C)[C@H](C)C2)cc1 93644964 HMGFFUAQGIHZGW-APWZRJJASA-N 303.494 3.447 10 10 DGCE COC(=O)[C@H](NCCN=[N+]=[N-])c1c(Cl)cccc1Cl 90257075 GPIVVYCTMJSMKY-SNVBAGLBSA-N 303.149 3.107 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)NCCC2(F)CCC2)c1 806044181 ZWUHUAGVMKOLRE-LLVKDONJSA-N 310.369 3.043 10 10 DGCE CC[C@@H](NC[C@H](CO)c1cccnc1)c1cccc(Cl)c1O 806178946 MEMXDYBZDIQUKW-CZUORRHYSA-N 320.820 3.257 10 10 DGCE CN1CCCc2cc([C@@H](NN)c3csc(Cl)c3)ccc21 2163108622 YBIPNSSMZIPKTJ-OAHLLOKOSA-N 307.850 3.337 10 10 DGCE CN(C)c1ccc([C@H](N)[C@](C)(O)c2csc(Cl)c2)cc1 2163132429 BSNFFJBAPMYBFT-LSDHHAIUSA-N 310.850 3.375 10 10 DGCE CN(C)c1ccc(/C=C/CNC2CCC(N(C)C)CC2)cc1 817414086 RBMJIGSJWGDKCL-AATRIKPKSA-N 301.478 3.228 10 10 DGCE CCc1ncc(CNC2CCN(c3ccc(OC)cc3)CC2)o1 825079449 ULZWMRUENNVHDM-UHFFFAOYSA-N 315.417 3.004 10 10 DGCE Cc1cnccc1/C=C\C(=O)NCc1c(O)ccc2c1CCCC2 827323727 PFTSHKIATSTZFR-CLFYSBASSA-N 322.408 3.304 10 10 DGCE COc1cccc2c1CN(Cc1cc(F)cc(C(C)=O)c1O)C2 859938111 MITFJRJYGLJFNE-UHFFFAOYSA-N 315.344 3.258 10 10 DGCE C[C@H](NCc1cc(N)ccn1)c1cccc(C(F)(F)F)c1O 925767853 QPWIWSYHONUKRR-VIFPVBQESA-N 311.307 3.239 10 10 DGCE COc1ccc(O)c([C@H](C)NCc2nc(-c3ccccc3)n[nH]2)c1 756867129 GJORAXTXCZSHCO-LBPRGKRZSA-N 324.384 3.037 10 10 DGCE COc1ccc2ccc(O)c(CN3C[C@H]4COC[C@]4(C)C3)c2c1 853567106 SYBGUUKHKPWYGG-LIRRHRJNSA-N 313.397 3.022 10 10 DGCE Cc1cc(C)cc(NS(=O)(=O)c2cc(F)cc(F)c2O)c1 753015112 DZHUBCJBWBSIIX-UHFFFAOYSA-N 313.325 3.088 10 10 DGCE Cc1cc(CN[C@H]2C[C@@H](O)C23CCC3)ccc1N1CCCCC1 852580911 GDSHOUVDTGDHHH-RBUKOAKNSA-N 314.473 3.378 10 10 DGCE CNC1CCN(c2ccc(OC(F)(F)F)cc2Cl)CC1 699643268 CMZGLOYHHQSBKA-UHFFFAOYSA-N 308.731 3.427 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)c3ccc(C)cc3C)C2)cc1 855234739 LJHBKUGGMYRYEK-MRXNPFEDSA-N 324.424 3.321 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)OCCc1ccc(F)c(F)c1 759595718 LJAGXKPCUHZROS-ZZXKWVIFSA-N 320.291 3.175 10 10 DGCE COCC1(NCc2cc(F)cc(C(C)=O)c2O)CCCCC1 852772035 FUXWHASYNXIEHX-UHFFFAOYSA-N 309.381 3.173 10 10 DGCE C[C@H](CNC(=O)NCc1cc(Cl)ccc1O)c1ccccn1 854258672 QNDNKTBKFKAZMO-LLVKDONJSA-N 319.792 3.044 10 10 DGCE COc1cccc(CNC[C@]2(C)CCOC3(CCC3)C2)c1O 886345214 UUBACHALMHYHDB-QGZVFWFLSA-N 305.418 3.230 10 10 DGCE C[C@H]1[C@H](Nc2ccccc2N)CCCN1C(=O)OC(C)(C)C 1959376923 GRSGFZQIXICRNO-GXTWGEPZSA-N 305.422 3.469 10 10 DGCE CCN(C(=O)OC(C)(C)C)[C@H]1CCCN(CCCN=[N+]=[N-])C1 1962286934 DNEHHXFOBIAHOU-ZDUSSCGKSA-N 311.430 3.408 10 10 DGCE Cc1cc(C(=O)N[C@H](C)c2ccccc2O)nn1-c1ccccc1 1171722740 CMRHKBONPVWCIE-CQSZACIVSA-N 321.380 3.377 10 10 DGCE O=C(NCc1ccccc1O)c1ccc(O[C@@H]2CC2(F)F)cc1 1294926165 YNWWNEPXOWRBCR-OAHLLOKOSA-N 319.307 3.109 10 10 DGCE CC(C)[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(F)cc1 1296998869 NJAWRUZIGBTBNU-GOSISDBHSA-N 317.360 3.293 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1OC(C)(C)C 1566304924 ANGUSBIHTHZFOH-GDBMZVCRSA-N 305.418 3.334 10 10 DGCE C[C@H](NCC(=O)Nc1ccccc1Cl)c1ccccc1O 1560074774 FSVKIELDJDSVAA-NSHDSACASA-N 304.777 3.335 10 10 DGCE CN(C(=O)c1ccc(F)cc1Br)c1ccc(N)cc1 20374096 VBUFHDCGNSYPME-UHFFFAOYSA-N 323.165 3.447 10 10 DGCE CC(C)CNCc1ccc(N2CC[C@H](N(C)C)C2)c(Cl)c1 164064243 WRHQEEKXOIVJTM-HNNXBMFYSA-N 309.885 3.226 10 10 DGCE CCc1nc2n(n1)CCC[C@H]2N[C@H](C)c1ccc(N(C)C)cc1 167772657 CTVDATPNZADUOP-CZUORRHYSA-N 313.449 3.092 10 10 DGCE C[C@@H]1CCCC[C@H]1NN=Nc1ccc2c(c1)OCC(=O)N2C 1860493994 LMUBIFOZCZATBD-DGCLKSJQSA-N 302.378 3.209 10 10 DGCE CC1(C)C[C@@H]([C@@H](N)c2ccccc2O)N(C(=O)OC(C)(C)C)C1 1912801368 QHFSZSCBJRWQHP-ZFWWWQNUSA-N 320.433 3.428 10 10 DGCE Cc1ccc(O)c([C@@H](C)N[C@@H]2CCCC3(CC2)OCCO3)c1 1967523713 ONROTNCYICJKGT-HUUCEWRRSA-N 305.418 3.427 10 10 DGCE Nc1ccc(OCC[S@](=O)c2ccc(F)c(Cl)c2)cc1 123730536 WMZMKILELRMOFD-HXUWFJFHSA-N 313.781 3.248 10 10 DGCE Oc1c(Br)cc(Cl)cc1[C@@H]1CSCCN1 1952337318 YWGWETFBHSEQQD-VIFPVBQESA-N 308.628 3.186 10 10 DGCE C[C@H]1C[C@H](F)CN1c1ccc([C@@H](C)O)c(Br)c1 1997691119 HNJMSEVDVOBWFH-AEJSXWLSSA-N 302.187 3.439 10 10 DGCE COc1ccc([C@H](C)N[C@H]2CCCC3(CC2)OCCO3)c(O)c1 2152100755 MRAPWNWAMIEVJJ-KBPBESRZSA-N 321.417 3.127 10 10 DGCE C[C@@H](O)c1ccc(N2CC(C)(CF)C2)cc1Br 2008691726 JIMCGULBJVUDCA-SECBINFHSA-N 302.187 3.298 10 10 DGCE CN(c1ccc(CN)c(Br)c1F)C1(C)CCC1 2018412635 AZEHTCAXBQHBSK-UHFFFAOYSA-N 301.203 3.426 10 10 DGCE C[C@H]1C[C@@H](N(C)c2cc(Cl)c(CN)cc2F)C[C@@H](C)O1 2177383836 RMGKWOTUAIQEPO-IAZYJMLFSA-N 300.805 3.330 10 10 DGCE C[C@H]1CCN(c2ccc([C@@H](C)N)cc2Br)CCO1 720431663 LIBWWVGKALRMJA-WDEREUQCSA-N 313.239 3.084 10 10 DGCE C[C@@]1(F)CCCN(Cc2cc(Br)ccc2O)C1 824472364 RBQULNCXFVQTMH-CYBMUJFWSA-N 302.187 3.479 10 10 DGCE CC(C)n1ccnc1CNCc1cc(Br)ccc1O 825893394 YOYXXNOYEWDKAX-UHFFFAOYSA-N 324.222 3.222 10 10 DGCE Cc1ccc([C@@H](C)n2nc(C(C)(C)C)c(C=O)c2N)c(O)c1 2079030787 AAIFMNVIUVCSMY-LLVKDONJSA-N 301.390 3.199 10 10 DGCE CN(c1ccc(CN)c(F)c1F)C1CCP(C)(=O)CC1 2193525030 XIKKRQPRENQOFY-UHFFFAOYSA-N 302.305 3.015 10 10 DGCE Nc1ccc(CNC(=O)c2cc(N)cc(Cl)c2Cl)cc1 2191751527 JGMADGLTPDJZFD-UHFFFAOYSA-N 310.184 3.088 10 10 DGCE Cc1cccc(CNC(=O)c2ncc(Cl)cc2Cl)c1O 2204620626 DOLGSTSJECWYMO-UHFFFAOYSA-N 311.168 3.332 10 10 DGCE Nc1ccc(CCNC(=O)C=Cc2cccc3cccnc23)cc1 2301693492 TYRBRIYGOCLFLV-UHFFFAOYSA-N 317.392 3.189 10 10 DGCE OCc1ccc(N2CC[C@@](F)(C(F)F)C2)c(Br)c1 2315959733 NQPPBTBLASLETF-LBPRGKRZSA-N 324.140 3.125 10 10 DGCE CCc1c[nH]ccc1=NCc1ccc(C)c(Br)c1O 2352641701 WIXCBJITMGCBNO-UHFFFAOYSA-N 321.218 3.455 10 10 DGCE Nc1ccc(N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 53996641 DKZBTHKXTHVTPS-UHFFFAOYSA-N 301.821 3.244 10 10 DGCE CC(C)(C)Oc1ccc(CNC(=O)Cc2ccc(N)cc2)cc1 71700127 PAGGTJUMGSFXQS-UHFFFAOYSA-N 312.413 3.305 10 10 DGCE C[C@@H](Cc1ccccc1)C(=O)NCc1ccc(N(C)C)c(F)c1 112009592 USCPKNAAGVHYAF-AWEZNQCLSA-N 314.404 3.387 10 10 DGCE Cc1nc2ccccc2cc1C(=O)NCCc1ccc(N)cc1 152554905 RELWKNCUSWLBSE-UHFFFAOYSA-N 305.381 3.098 10 10 DGCE CC[C@H](NC1CCN(CCOC(C)C)CC1)c1ccccc1O 156200926 NTYBXGOIFRMITM-SFHVURJKSA-N 320.477 3.322 10 10 DGCE COc1ccc(O)c(CN[C@H](C)c2ccc(NC(C)=O)cc2)c1 182138111 YMJXPTFSHDYQKP-GFCCVEGCSA-N 314.385 3.210 10 10 DGCE C[C@@H](N)c1cc(Br)c(F)c(Br)c1O 238416858 AVYNAQUBFNJKGS-GSVOUGTGSA-N 312.964 3.076 10 10 DGCE CCN(C)c1ccc([C@H](C)N[C@H](C)C(=O)NC(C)(C)C)cc1 247125777 VCDANFXPEDOFOH-UONOGXRCSA-N 305.466 3.097 10 10 DGCE CC(C)CCN(C)C(=O)/C=C\c1ccc(N2CCOCC2)cc1 255037154 WAYXHSTWGJECOV-TWGQIWQCSA-N 316.445 3.041 10 10 DGCE COc1cccc(CNc2cc(C)nc(-c3cccnc3)n2)c1O 301153423 OQNUIKLFUJSVNQ-UHFFFAOYSA-N 322.368 3.173 10 10 DGCE C[C@H](N)c1ccc(N2CCO[C@@H](C)[C@H]2C)cc1Br 380487162 ADLGHSYRYLDCPS-AXFHLTTASA-N 313.239 3.082 10 10 DGCE C[C@H]1CN(Cc2ccccc2)CCCN1CCc1ccc(N)cc1 382673509 BBIZDIIOFCWYST-SFHVURJKSA-N 323.484 3.408 10 10 DGCE CNCc1ccc(N(CC(F)F)C2CC2)cc1Br 386941770 PTOAPZIFPCQIBT-UHFFFAOYSA-N 319.193 3.402 10 10 DGCE Oc1cc2c(cc1CN[C@@H](c1ccccn1)C1CCC1)OCO2 527771489 JJTCFONAIAJKIX-GOSISDBHSA-N 312.369 3.147 10 10 DGCE C[C@H](NCC1COC1)c1cc(Br)cc(Cl)c1O 528029275 YMLVPDOJFILSQY-ZETCQYMHSA-N 320.614 3.105 10 10 DGCE C[C@H](N)c1ccc(N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1 705958848 TXTXZAIGMNGUTO-FFZOFVMBSA-N 321.468 3.275 10 10 DGCE OCc1ccc(N2CC[C@H](C(F)F)C2)cc1Br 706378320 RXBGVQNQVQHESH-QMMMGPOBSA-N 306.150 3.033 10 10 DGCE Cc1cc(N(CC(F)(F)F)CC(F)(F)F)ccc1CO 719446786 UYXVTPRJHKEFIT-UHFFFAOYSA-N 301.230 3.418 10 10 DGCE C[C@@H](NC[C@@H]1COc2ccccc2O1)c1cc(F)cc(F)c1O 756352499 TYYXZCAGDJMADZ-ZYHUDNBSSA-N 321.323 3.161 10 10 DGCE COc1ccc(N(C[C@@H]2CC3(CC3)C(=O)O2)[C@H](C)C2CC2)cc1 763730422 RXCWKAKGLNVZKM-DYVFJYSZSA-N 315.413 3.396 10 10 DGCE CCN(C)c1ccc([C@H](C)NCC2(O)Cc3ccccc3C2)cc1 766093416 GCWPXUVIVWQWBE-INIZCTEOSA-N 324.468 3.323 10 10 DGCE Cn1ncc(NCc2cc(Cl)cc([N+](=O)[O-])c2O)c1C1CC1 769925014 WSAKNFDCXBHJEC-UHFFFAOYSA-N 322.752 3.177 10 10 DGCE COc1ccc(O)c([C@@H](C)Nc2nc([C@H](C)OC)ns2)c1 800848774 CHOSZWZBBXMQTI-BDAKNGLRSA-N 309.391 3.133 10 10 DGCE Cc1ccc(C(=O)NCc2cc(Br)ccc2O)cc1 804738454 QJZTUGCYNPROPZ-UHFFFAOYSA-N 320.186 3.393 10 10 DGCE C[C@H]1CC[C@@H]1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 807555440 ARJCSUPWZGRDCB-GUYCJALGSA-N 301.434 3.225 10 10 DGCE COc1cc(Br)cc(CNCC[C@@H](C)F)c1O 815148987 SZEUYHDCHHJCIH-MRVPVSSYSA-N 306.175 3.001 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)NC1C[C@H]2C[C@@H]2C1 824858186 ACYMMLUIKNJYNF-HUUCEWRRSA-N 301.434 3.083 10 10 DGCE C[C@@H](N[C@H]1CCc2cccc(O)c21)c1cn(-c2ccccc2)nn1 834680731 HMVGJVAPWBYSMZ-CJNGLKHVSA-N 320.396 3.311 10 10 DGCE COC[C@H](NC/C=C/c1ccc(N(C)C)cc1)c1ccco1 835043599 SOOMPSADASYBSF-YXMMZVCTSA-N 300.402 3.336 10 10 DGCE Cc1cc(O)c(CN2CC[C@@]3(CCCN(C)C3)C2)c(Cl)c1 840949357 STXHBRCPMWUZLO-QGZVFWFLSA-N 308.853 3.272 10 10 DGCE NCc1ccc2c(c1)CCCN2Cc1ccn(-c2ccccc2)n1 843057613 FQCZHNICALDBAP-UHFFFAOYSA-N 318.424 3.284 10 10 DGCE Oc1cc2c(cc1CN1CCC[C@H]1CC1CCCC1)[C@@H](O)CO2 848505353 IWISAMYOHHWDMJ-YJBOKZPZSA-N 317.429 3.363 10 10 DGCE CCc1cccc(CNCCCc2nc(C(C)C)no2)c1O 848894359 DKHRZRWAHAJVOE-UHFFFAOYSA-N 303.406 3.183 10 10 DGCE Cc1cc(Br)c(O)c(CNc2nn(C)cc2C)c1 850418700 AMXCTLYTNCSLSY-UHFFFAOYSA-N 310.195 3.117 10 10 DGCE CC(C)[C@@H](NC(=O)Cc1ccc(N)cc1)c1ccccc1F 851642035 PGFRKTJSZLLNEW-GOSISDBHSA-N 300.377 3.464 10 10 DGCE CCOC(=O)C1=CC[C@@H](N[C@@H](CC)c2ccc(C)cc2O)C1 858508732 OPDLDEJURATYJE-ZBFHGGJFSA-N 303.402 3.393 10 10 DGCE Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2O)cc1C 867833859 CMDOMKQJKSUFOS-ZDUSSCGKSA-N 305.399 3.049 10 10 DGCE C[C@H](NC(=O)N[C@H]1CC(C)(C)OC1(C)C)c1ccccc1O 868483619 ZIJIXZMTYLGBCH-FZMZJTMJSA-N 306.406 3.099 10 10 DGCE COc1cc(O)c(CNCC(C)(C)CC(F)F)cc1OC 895535482 RPWRDABFMIQDDB-UHFFFAOYSA-N 303.349 3.180 10 10 DGCE Oc1c(F)cc(Cl)cc1CN1CC(CC2CCOCC2)C1 895616798 YYQPKPVXCAWOLQ-UHFFFAOYSA-N 313.800 3.433 10 10 DGCE CSCC[C@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 896460697 XILXUJUIXKOWPE-QMMMGPOBSA-N 311.428 3.184 10 10 DGCE Cc1csc(C[C@H]2CCCN(C(=O)c3cc(O)cs3)C2)n1 899538736 ACFQXMBODFZMJO-LLVKDONJSA-N 322.455 3.314 10 10 DGCE O=C(O)[C@@H]1CC=C[C@@H](NCc2cc(Cl)cc(Cl)c2O)C1 904036087 XMOGHFMBLPZDCZ-LDYMZIIASA-N 316.184 3.208 10 10 DGCE Cc1cc(CC(=O)NC[C@@H]2CCCC2=O)c(C)n1-c1ccccc1 1154560711 UDEULLYDWCMVPA-INIZCTEOSA-N 324.424 3.122 10 10 DGCE COc1ccc(N(Cc2cn(C(C)C)nn2)CC2CC2)cc1 1326516076 HESOHDVXHAVHDN-UHFFFAOYSA-N 300.406 3.284 10 10 DGCE O=C(NCC[C@@H]1CC[C@@H]2C[C@H]12)c1cc2cc(O)c(O)cc2s1 1455845375 AFJCYCSINDXFFG-HOSYDEDBSA-N 317.410 3.479 10 10 DGCE COc1ccc(CNC(=O)c2cc(F)cc3ccoc23)c(O)c1 1467470502 KNNCHCPJQGQXBN-UHFFFAOYSA-N 315.300 3.216 10 10 DGCE C[C@@H]1Cc2cccc(C(=O)NCc3cccc(Cl)c3O)c2O1 1472316973 PLVGARUDVJQUEM-SNVBAGLBSA-N 317.772 3.299 10 10 DGCE CC[C@H](C)CC(=O)N(C)[C@@H](C)CNCc1ccc(OC)c(C)c1 1482275735 MKMUSMLKGHVTHV-HOCLYGCPSA-N 320.477 3.376 10 10 DGCE Cc1ncccc1/C=C/C(=O)Nc1c(Cl)ccc2nonc12 1586677220 PETRAUIRLOAQDJ-QPJJXVBHSA-N 314.732 3.232 10 10 DGCE C[C@@H](NC(=O)c1ccc(Cl)cc1N)c1ccc(N(C)C)cc1 1616834964 PEBZLQHFFOGURB-LLVKDONJSA-N 317.820 3.479 10 10 DGCE c1cc(N2CCOCC2)ccc1CNC[C@@H]1C[C@@H]1C1CCCC1 1621107759 YPKBEQNULBQDNF-AZUAARDMSA-N 314.473 3.439 10 10 DGCE CC[C@H](NC(=O)c1cc(C)ccc1-n1c(C)ccc1C)[C@@H](C)O 1635346959 VTNPMNDMBUYGCT-WBVHZDCISA-N 314.429 3.292 10 10 DGCE Cc1cccc(-n2c(C)cc(CNC(=O)c3cc(C)[nH]n3)c2C)c1 1642455754 VGAPYAQIWDXCQH-UHFFFAOYSA-N 322.412 3.364 10 10 DGCE Cc1ncsc1CCCN1CCOc2cc(N(C)C)ccc21 1642567172 JGPBYMJSJYYDTA-UHFFFAOYSA-N 317.458 3.349 10 10 DGCE Oc1ccccc1CNC[C@]12CC[C@H]1CN(Cc1ccccc1)C2 1911006337 MZBAKCQPDDDWDH-FPOVZHCZSA-N 322.452 3.394 10 10 DGCE Oc1ccc(Br)cc1CNCC(F)(F)C1CC1 1912522940 NWOYQRSQAICUOZ-UHFFFAOYSA-N 306.150 3.290 10 10 DGCE CN(Cc1cc(N)ccc1O)[C@@H]1CC[C@H]1OCc1ccccc1 1939601299 AEEJJVZHVCGVNT-IEBWSBKVSA-N 312.413 3.154 10 10 DGCE Cc1cccc(N)c1N[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C 1959358631 CYIHDCCRRDLOPB-JSGCOSHPSA-N 305.422 3.387 10 10 DGCE CO[C@H]1[C@@H](NCc2c(O)cccc2Br)CC1(C)C 1974289795 KKQSBULOGVSKPX-AAEUAGOBSA-N 314.223 3.058 10 10 DGCE Cc1cccc(O)c1CN[C@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 1976875092 DKTWMTALBDYHTG-KGLIPLIRSA-N 320.433 3.188 10 10 DGCE CC(C)(C)OC(=O)N1CC(N(CCCCN=[N+]=[N-])CC2CC2)C1 1982246860 AGBJIDJIJHERGU-UHFFFAOYSA-N 323.441 3.408 10 10 DGCE C[C@H](O)c1ccc(N2C[C@H](F)C[C@@H]2C)c(Br)c1 1997690811 FFRJQMVYIXNGNM-ATZCPNFKSA-N 302.187 3.439 10 10 DGCE C[C@H](C(F)F)N(C)c1cc(Br)c(CN)cc1F 2009014975 MRCFDXNEZVKMNT-ZCFIWIBFSA-N 311.145 3.137 10 10 DGCE CN(Cc1c(O)cccc1Br)[C@@H]1CCCOCC1 2028800213 OHBONQMRUSNZGW-LLVKDONJSA-N 314.223 3.156 10 10 DGCE CN(C[C@H]1[C@H]2CCC[C@H]21)c1ccc(CO)c(Br)c1 2048406012 NYDYGUSYBGOKIO-BTTYYORXSA-N 310.235 3.424 10 10 DGCE C[C@@H]1CC[C@H](CNCc2ccc(Br)cc2O)OC1 2053742715 SOXSAZCVDJHZNV-ZWNOBZJWSA-N 314.223 3.059 10 10 DGCE C[C@H](F)[C@@H]1CCCN1c1cc(Br)c(CN)cc1F 2060888140 MCQUOLYNUPQPKK-UFBFGSQYSA-N 319.193 3.374 10 10 DGCE Cc1ccc(O)c(Cn2nc(C3CC3)c(CO)c2C(F)F)c1 2079127505 PHHMNGGFCCKEBN-UHFFFAOYSA-N 308.328 3.253 10 10 DGCE COCCNCc1cnc(Sc2ccc(Cl)cn2)s1 2099110827 IVASLPKMWMWMTK-UHFFFAOYSA-N 315.851 3.079 10 10 DGCE CCCN[C@]1(C(=O)O)C[C@H](C)C[C@H](Sc2nccs2)C1 2175482014 BLXPMELLENATJX-UHIISALHSA-N 314.476 3.247 10 10 DGCE Cn1cc(NCc2c(O)cccc2Cl)c(C(F)(F)F)n1 2178712278 YZVCWCSCTRSRFS-UHFFFAOYSA-N 305.687 3.410 10 10 DGCE C[C@@H](O)c1ccc(N(C)C[C@@]2(C)CSCCO2)c(Cl)c1 2201226522 IFALDTLAZWTVPO-ABAIWWIYSA-N 315.866 3.352 10 10 DGCE Cn1cc(NCc2ccc(Cl)cc2O)c(Br)n1 2216827217 GPXBVMXOORQDDI-UHFFFAOYSA-N 316.586 3.154 10 10 DGCE CC[C@H](C)NCc1cc(F)c(N2CCSCC2)c(F)c1 2240018798 ICPZZLSLKOEREC-NSHDSACASA-N 300.418 3.406 10 10 DGCE Oc1c(F)cc(F)cc1CNc1cnccc1Br 2264151438 MPTYUQULIJBGQK-UHFFFAOYSA-N 315.117 3.440 10 10 DGCE Nc1c(Cl)ccc(Cl)c1C(=O)NCc1ccccc1O 2286771203 VFWYUKDRWUANRN-UHFFFAOYSA-N 311.168 3.211 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)N1CCC[C@@H]2CCCC[C@@H]21 2307987517 NRCLHUWCRNHVPV-GJZGRUSLSA-N 301.386 3.292 10 10 DGCE CC[C@@](C)(NC(=O)C=Cc1ccc(O)c(O)c1)c1nccs1 2307987892 RVPJLMHMRMYXQX-MRXNPFEDSA-N 318.398 3.009 10 10 DGCE CNCc1cc(C(C)(C)C)cc(I)c1O 27754558 YGLUUSOMXQFCMX-UHFFFAOYSA-N 319.186 3.014 10 10 DGCE O=C1OC(c2ccccc2)OC(=O)C1=Cc1c[nH]c2ccccc12 39224869 RYBMHGUFXOKTJM-UHFFFAOYSA-N 319.316 3.350 10 10 DGCE C[C@H]1CN(c2ccc(CN)c(C(F)(F)F)c2)CC(C)(C)O1 45661213 LNLVQDOQIASZQR-JTQLQIEISA-N 302.340 3.168 10 10 DGCE Cc1cc(C(=O)CNCc2ccccn2)c(C)n1-c1ccccc1 62657281 LDSIWZKBHFLHDG-UHFFFAOYSA-N 319.408 3.462 10 10 DGCE COc1cccc(CNC(=O)N[C@@H](C)c2ccccc2C)c1O 73414860 BXEAFDCPCMLSNL-ZDUSSCGKSA-N 314.385 3.270 10 10 DGCE CCCNCc1ccc(OC)c(CSc2cnccn2)c1 81885401 YRGVCRZGDQGQSO-UHFFFAOYSA-N 303.431 3.277 10 10 DGCE COc1ccc(CNC(C)C)cc1C[S@@](=O)C1CCCC1 84050218 NNOVEIQFMKPYNW-NRFANRHFSA-N 309.475 3.385 10 10 DGCE CC1(C)[C@H]2CC[C@@]1(C(=O)Oc1ccc3ccccc3c1)C(=O)C2=O 101103740 MSIRNHXQXSERDE-YWZLYKJASA-N 322.360 3.320 10 10 DGCE Cc1ccc(-c2nnc(CN(C)c3ccc4c(c3)OCO4)o2)cc1 121333794 QFUNYPLMQJHPPC-UHFFFAOYSA-N 323.352 3.410 10 10 DGCE COCCN(Cc1cc(Cl)cc(Cl)c1O)[C@H](C)COC 133441520 RCEPURYQTHESGB-SNVBAGLBSA-N 322.232 3.182 10 10 DGCE CCC[C@H](NCc1cc(OC)ccc1O)C(=O)OC(C)(C)C 154862505 BXPJVQCWUWBYLD-AWEZNQCLSA-N 309.406 3.001 10 10 DGCE CCc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1F 181253923 HCACETZWNROZEN-XBXARRHUSA-N 301.317 3.451 10 10 DGCE Cc1cccc(CN[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)c1O 227631695 VKYOYLHIGZNPBG-LSDHHAIUSA-N 320.433 3.236 10 10 DGCE CCC[C@@H](CNC(=O)OC(C)(C)C)NCc1cccc(C)c1O 227764362 VAZBUBUXKXZWNH-HNNXBMFYSA-N 322.449 3.484 10 10 DGCE Cc1cccc(CNC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1O 230393659 LMHWDEKABVDOFM-CQSZACIVSA-N 320.433 3.047 10 10 DGCE COC[C@@H]1CCN([C@H](C)c2cc(Br)ccc2O)C1 251348182 FVLUZRRIEJYDKP-GHMZBOCLSA-N 314.223 3.184 10 10 DGCE CCNCc1ccc(N(C)C[C@H](C)OC)c(Br)c1 306110114 VZDBOYJIOCRXCS-NSHDSACASA-N 315.255 3.030 10 10 DGCE CN(C)c1ccc([C@H](CN)N(C(=O)OC(C)(C)C)C2CC2)cc1 698320648 WUIGIXAGKCRZTH-INIZCTEOSA-N 319.449 3.152 10 10 DGCE C[C@@H](CN(C)C(=O)OC(C)(C)C)N[C@@H](C)c1cc(O)ccc1O 701924919 QNLLFIMNMPFQHP-RYUDHWBXSA-N 324.421 3.004 10 10 DGCE Oc1c(CNCCSCC(F)(F)F)ccc(F)c1F 703358349 OECACTZLGGDZNQ-UHFFFAOYSA-N 301.280 3.056 10 10 DGCE C[C@@H](NCc1c(O)cccc1Br)c1nccs1 706821304 BQJXIWFYLPZNIU-MRVPVSSYSA-N 313.220 3.462 10 10 DGCE Cc1nc(COC(=O)c2cc(O)cs2)nc2ccccc12 732354822 SHNKKQXGYMJMNR-UHFFFAOYSA-N 300.339 3.062 10 10 DGCE COc1ccc(N2CCN(C(=O)/C=C(\C)C(C)(C)C)CC2)cc1 742470137 AALBUIZXMSALNP-CCEZHUSRSA-N 316.445 3.336 10 10 DGCE COc1ccc(O)c(CNC(=O)c2coc3cc(F)ccc23)c1 793689432 MBGVUFOBJKAKTQ-UHFFFAOYSA-N 315.300 3.216 10 10 DGCE CC(C)[C@H]1CC[C@@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1 796703701 UIBDHQLCXNYVLE-AEFFLSMTSA-N 320.452 3.311 10 10 DGCE CN(C)c1ccc(CN[C@H]2COc3ccc(F)cc3C2)cc1F 808452708 OMZFPPUHHLCHLK-OAHLLOKOSA-N 318.367 3.124 10 10 DGCE COc1cccc(O)c1CN1CCn2c(cc3ccccc32)C1 812799767 FQUDVHDUBVMCON-UHFFFAOYSA-N 308.381 3.371 10 10 DGCE CCCN(Cc1nn(C)c(C)c1Cl)c1ccc(CN)cc1 817410170 KXKIFEVGJCWYHP-UHFFFAOYSA-N 306.841 3.257 10 10 DGCE CN(Cc1ccccc1O)C(=O)Nc1ccc2c(c1)CCOC2 825246755 IKICHNFBYXSJRH-UHFFFAOYSA-N 312.369 3.129 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)C(C)(C)C(C)(F)F)c1 825736549 CEPOLRARXQVMTE-VIFPVBQESA-N 301.333 3.259 10 10 DGCE C[C@H](NC(=O)N[C@@H]1CC[C@@H]2C[C@H]2C1)c1ccc(N(C)C)cc1 826532610 WOORKAOKVVWIBW-DRPJVOAASA-N 301.434 3.301 10 10 DGCE Cc1cc(Cl)cc(CN[C@@H]2CCC[C@H]([S@@](C)=O)C2)c1O 826911317 VZINFLUQIXLRMH-LAPQFRIASA-N 315.866 3.133 10 10 DGCE C[C@@H](NCc1cccc(Br)c1O)[C@H]1CC1(F)F 840967878 KNGVXQUYWXSXBA-VXNVDRBHSA-N 306.150 3.288 10 10 DGCE COc1cc(Cl)cc(CNCc2ccc([C@H](C)N)cc2)c1O 841028924 IHZAQFPGPXNCFO-NSHDSACASA-N 320.820 3.364 10 10 DGCE Cc1cc(N(C)C)ccc1CN1CCC[C@@H]([C@@H]2CCCN2)C1 843043927 DCBWPCBMTLGFBX-MJGOQNOKSA-N 301.478 3.025 10 10 DGCE C[C@H](N[C@H](C1CC1)[C@H]1CCCCO1)c1cc([N+](=O)[O-])ccc1O 848558895 PMCIJMZQBHBMIT-YMRXKLBXSA-N 320.389 3.299 10 10 DGCE CCOc1ccc(CN[C@H](c2ccccc2)[C@H](C)O)c(O)c1 850419405 DKNQJEZPTADELT-UGSOOPFHSA-N 301.386 3.003 10 10 DGCE CC[C@H](N[C@@H](COC)C1CCOCC1)c1ccc(F)cc1O 850494863 YNDVJKJXDWFPRB-HOTGVXAUSA-N 311.397 3.014 10 10 DGCE CN(C)c1cc(F)c(CN2CCC(c3ccon3)CC2)cc1F 862419962 VIBNLVNIPNFMMR-UHFFFAOYSA-N 321.371 3.398 10 10 DGCE Cc1ccc(N(CC2CC2)C(=O)/C=C/c2cnn(C)c2)cc1F 863598422 SZKZVSBMYPCTMJ-SOFGYWHQSA-N 313.376 3.324 10 10 DGCE O=C(c1cc(O)cs1)N1CCCC[C@@H](C2CCOCC2)C1 882911191 MZBFYOSCQKGLQJ-CYBMUJFWSA-N 309.431 3.123 10 10 DGCE O=C(NCc1c(O)cccc1F)N[C@@H](c1ccccc1)C1CC1 913972936 FDXLHKFCVOHOSI-KRWDZBQOSA-N 314.360 3.482 10 10 DGCE FC(F)(F)[C@H]1CC[C@@H](CCNCc2ccc3c(c2)CCO3)O1 922679830 RMSJWUKIORINBT-DZGCQCFKSA-N 315.335 3.211 10 10 DGCE CCC[C@@H](CC)C(=O)N(C)CCN(C)c1ccc(OC)cc1 1130547797 PWYSJYAXLWNWSZ-OAHLLOKOSA-N 306.450 3.416 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)/C=C/C(C)(C)C)cc1 1144868391 ZXQLDHOZCOEBOC-VAWYXSNFSA-N 304.434 3.192 10 10 DGCE CCCCC[C@@H](O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C 1441911619 GGANKFJKXCUCNU-GOSISDBHSA-N 320.477 3.431 10 10 DGCE CC/C=C(\C)C(=O)NC[C@@H](C)CNCc1ccc(OC)c(C)c1 1482081277 BQEWIEAFYBGVSV-UUINEXAVSA-N 318.461 3.202 10 10 DGCE CC(C)COc1ccc(C(=O)NCc2cccc(O)c2O)cc1 1528770611 BBDZGNGVSRKLGK-UHFFFAOYSA-N 315.369 3.063 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H](F)C(F)(F)F 1531693481 KLZPESALRDBHCM-CYBMUJFWSA-N 318.314 3.146 10 10 DGCE Cc1nc2ccc(O)cc2cc1C(=O)N[C@H](C)c1ccccc1O 1642827175 ARBSJTRQSKMIBF-LLVKDONJSA-N 322.364 3.445 10 10 DGCE C[C@H](NC(=O)c1ccc(-c2cn[nH]c2)cc1)c1ccccc1O 1642830988 NAYXNUYNBNHAPJ-LBPRGKRZSA-N 307.353 3.273 10 10 DGCE C[C@@H](NC(=O)c1cc(-c2ccccc2)nn1C)c1ccccc1O 1643741958 HDIOQWQCOBMDJC-CYBMUJFWSA-N 321.380 3.284 10 10 DGCE CC[C@@H](C(=O)NCc1cc(O)ccc1O)c1ccc(F)cc1 1651225474 KZCXDSSMTCWHRU-OAHLLOKOSA-N 303.333 3.047 10 10 DGCE C[C@@H]1C[C@H]1n1c(CC2CC2)nnc1N(C)Cc1ccccc1O 1708002015 ORWHUJXTKXXKFK-IUODEOHRSA-N 312.417 3.154 10 10 DGCE Cc1ccc(/N=N/N2CCN(C(=O)c3ccco3)CC2)c(C)c1 1860485211 XBGZJHNYQDZABY-VHEBQXMUSA-N 312.373 3.353 10 10 DGCE O=C(O)C=Cc1ccc(N2C[C@@H]3CSC[C@H]3C2)c(Cl)c1 1911950944 KJGDFNVBPUWZOT-VXGBXAGGSA-N 309.818 3.237 10 10 DGCE O=C(O)C=Cc1ccc(N2CC[C@H]3C[C@@H]32)cc1Br 1912069653 UPVITVWDEWMOPL-GWCFXTLKSA-N 308.175 3.146 10 10 DGCE [N-]=[N+]=N[C@H]1CCN(C[C@H]2Cc3cc(Br)ccc3O2)C1 1912184502 FRBNGUFTLNCZJK-NWDGAFQWSA-N 323.194 3.137 10 10 DGCE C[C@H](CO)N(Cc1ccccc1)c1ccc(CN)c(Cl)c1 1914363325 HOTUNICRCSAJLO-CYBMUJFWSA-N 304.821 3.186 10 10 DGCE Cc1cccc(CN[C@@]23C[C@@H]2CN(Cc2ccccc2)C3)c1O 1939380326 OLHULWZARPBEGP-UYAOXDASSA-N 308.425 3.065 10 10 DGCE CN[C@H](c1ccccc1O)[C@@H]1CC[C@@H]1CNC(=O)OC(C)(C)C 1940100047 YOFXPGDYJZMFGC-IOASZLSFSA-N 320.433 3.204 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H](N)[C@H]1c1cccc(Cl)c1O 1952305232 WMOJZWAREMNOAY-VXGBXAGGSA-N 312.797 3.055 10 10 DGCE CN(CCN=[N+]=[N-])[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1962297767 ANSMBLHOPJRTQW-ITGUQSILSA-N 309.414 3.159 10 10 DGCE C[C@@H]1CCN(Cc2ccc(N)cc2)CCN1C(=O)OC(C)(C)C 1977924917 IASYSYOOFPHKPX-CQSZACIVSA-N 319.449 3.100 10 10 DGCE CN[C@H](CC[C@H]1CCN1C(=O)OC(C)(C)C)c1ccccc1O 1979167518 FSOYLWZGIBIMJE-DZGCQCFKSA-N 320.433 3.442 10 10 DGCE N[C@H]1CCCc2cc(N(CCCO)Cc3ccccc3)ccc21 1986601750 XWMSNKSRKPLWNA-FQEVSTJZSA-N 310.441 3.412 10 10 DGCE C[C@H](CN(C)Cc1cccc(Br)c1O)C(F)F 2012202463 QTPMUWXRZFMJIQ-MRVPVSSYSA-N 308.166 3.488 10 10 DGCE C[C@@H]1CCN(c2ccc(CN)c(Br)c2F)C[C@@H]1F 2034816980 WKESALIPBALXBE-SCZZXKLOSA-N 319.193 3.231 10 10 DGCE C[C@@H]1OCC[C@@H]1CN(C)Cc1cc(Br)ccc1O 2057470792 YIRDTMMZQRGNLS-WDEREUQCSA-N 314.223 3.012 10 10 DGCE CCc1nn([C@H](c2ccc(C)cc2O)C(C)(C)C)c(N)c1N 2079136589 BXCWWZZYORIHQO-OAHLLOKOSA-N 302.422 3.259 10 10 DGCE Cc1ccc(O)c(Cn2nc(CN)c(Cl)c2C(F)(F)F)c1 2079207903 LQVLUWNRHRBSTM-UHFFFAOYSA-N 319.714 3.076 10 10 DGCE CN1CCc2cc([C@H](O)C(=O)c3sccc3Cl)ccc21 2147117680 HGNUCACUDYTKBM-ZDUSSCGKSA-N 307.802 3.310 10 10 DGCE C[C@@H](N)c1ccc(N(C)Cc2cc(Cl)n(C)n2)cc1Cl 2166504569 UAOVDWPFCHKUIL-SECBINFHSA-N 313.232 3.383 10 10 DGCE O=C(O)C=Cc1ccc(N2C[C@@H](F)C[C@@H](F)C2)cc1Cl 2182595927 AHDZUBBYPRAARA-PHIMTYICSA-N 301.720 3.324 10 10 DGCE CN[C@H](C)c1ccc(N2C[C@@H](OC)C[C@H]2CF)c(Cl)c1 2190233411 VKUPMISHLGLAET-WXHSDQCUSA-N 300.805 3.184 10 10 DGCE Cc1ccc([C@H](C)NCc2conc2Br)c(O)c1 2222852858 SVZNPOPGUQSVGZ-VIFPVBQESA-N 311.179 3.302 10 10 DGCE [N-]=[N+]=NCCNC(=O)c1cccc(Cl)c1Br 2243505094 KLJYAYMIYHFHHO-UHFFFAOYSA-N 303.547 3.143 10 10 DGCE CSc1ncc(CNCc2csc([N+](=O)[O-])c2)s1 2257105917 NLTGOGSXFDKZEH-UHFFFAOYSA-N 301.418 3.125 10 10 DGCE Cc1ncsc1C=CC(=O)N1C[C@@H](C)Oc2cc(F)ccc21 2310093452 NACPUFIZDGNMRQ-SNVBAGLBSA-N 318.373 3.418 10 10 DGCE Cc1ccc(CN(C)[C@@H]2CO[C@@H](C)C2)c(O)c1Br 2327579858 AKLFVVKBTYWJRQ-JQWIXIFHSA-N 314.223 3.072 10 10 DGCE Oc1cc(Cl)ccc1CNCc1coc(C(F)(F)F)n1 2368238359 BUQAFLMSPDMCBA-UHFFFAOYSA-N 306.671 3.342 10 10 DGCE C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)c1cccs1 31726516 WXFZWSLIAQHNQN-LBPRGKRZSA-N 303.431 3.375 10 10 DGCE CCN(c1ccc(N)cc1)S(=O)(=O)c1ccc(Cl)cc1 63114445 ZNIFODHEEQXRFN-UHFFFAOYSA-N 310.806 3.137 10 10 DGCE CCOc1ccc2ccn(CCOc3ccc(N)cc3)c(=O)c2c1 75253757 LBEAQUIHCMOUAO-UHFFFAOYSA-N 324.380 3.061 10 10 DGCE CCNC1CCN(c2ccc(OC)c(Br)c2)CC1 88320419 IVFUDKDLSYTNJN-UHFFFAOYSA-N 313.239 3.036 10 10 DGCE CCCN(CC(F)(F)F)c1cc2c(cc1Cl)[C@H](N)C(=O)N2 118706053 XZLHJXIHBGBGGT-NSHDSACASA-N 321.730 3.071 10 10 DGCE COc1ccc(N(C[C@H](O)COC(C)(C)C)[C@@H](C)C2CC2)cc1 121201467 XEGBWAJHPJRAHU-YOEHRIQHSA-N 321.461 3.476 10 10 DGCE Cc1cnc(C(C)(C)NCc2ccc3c(c2)CCN3C)s1 124418870 GGVVNFDQGLRVFV-UHFFFAOYSA-N 301.459 3.469 10 10 DGCE C[C@@H]1CC[C@@H](C)N(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 173291370 NZUDCZYZBHJJPG-HZPDHXFCSA-N 313.445 3.393 10 10 DGCE C[C@@H](NCCCN(C)C(=O)OC(C)(C)C)c1cc(O)ccc1O 227612062 ZDSAZQYDISUUIE-GFCCVEGCSA-N 324.421 3.005 10 10 DGCE CCCN(C)c1ccc(CNCCOC)cc1Br 233012136 RPAMIHLQHMWGRD-UHFFFAOYSA-N 315.255 3.031 10 10 DGCE c1cc(N2CCCCC2)ccc1CN[C@@H]1C[C@@H]2OCCC[C@H]21 249777912 CNEVGKZBPZPWND-OTWHNJEPSA-N 300.446 3.334 10 10 DGCE COc1cc(N(C)CCCC2CCOCC2)cc(OC)c1OC 274180961 FPQGZNFAYXOCDI-UHFFFAOYSA-N 323.433 3.355 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CC[C@H]2CNC[C@@H]2CC1 312787110 IMPMJBBWVCGCRE-QWRGUYRKSA-N 315.244 3.130 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@H]1CCN2CCC[C@H]1C2 382966593 QCTMDKHMUIQPAP-HZMBPMFUSA-N 315.244 3.273 10 10 DGCE C=Cc1ccc(O)c([C@@H](CC(=O)O)NC(=O)OC(C)(C)C)c1 687752615 JFBRCDATWHGEBM-GFCCVEGCSA-N 307.346 3.076 10 10 DGCE CN[C@](CO)(CCCSc1nccs1)c1ccccc1 695023040 FUDKIFVJBUIOHS-HNNXBMFYSA-N 308.472 3.123 10 10 DGCE CNCc1ccc(N2C[C@H]3CC[C@@H](C3)C2)cc1Br 699354537 SIBBJEYIYZJFME-RYUDHWBXSA-N 309.251 3.405 10 10 DGCE C[C@H](CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccnc1 734424987 NBUUNMOALINCBB-OAHLLOKOSA-N 311.429 3.300 10 10 DGCE Cc1ccc(C(=O)O[C@@H](C)c2nc(C(C)(C)C)no2)c(O)c1O 750619378 OKLVJJXCMFIDFC-VIFPVBQESA-N 320.345 3.005 10 10 DGCE CN(C)c1ccc(CNC(=O)N[C@@H]2CC3CCC2CC3)cc1 767840919 MWMGTGJXDADBMH-PUJMQQBBSA-N 301.434 3.131 10 10 DGCE COC(=O)CCCCCNCc1ccc(N2CCCCC2)cc1 809726989 BBFJUFFLKIWLSV-UHFFFAOYSA-N 318.461 3.500 10 10 DGCE COc1cc(Cl)cc(CN[C@@H]2C[C@H](O)c3ccccc32)c1O 827179386 WLPYBWTVORZCEQ-CABCVRRESA-N 319.788 3.322 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCC[C@H](c3ccnn3C)C2)cc1 835024880 AHSGZNBZIYEMFR-SUZKBHRPSA-N 324.472 3.379 10 10 DGCE C[C@H](NC/C=C\c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C 835032968 NDUJPBLULYVZJE-DANTVBBOSA-N 304.434 3.086 10 10 DGCE CC(C)N1CC[C@H](N(C)C/C=C\c2ccc(N(C)C)cc2)C1 835054616 LOHBLQFXOABURE-RURPWVQCSA-N 301.478 3.180 10 10 DGCE C[C@H](O)[C@@H](N[C@H]1CCc2cccc(O)c21)c1ccccc1F 846181558 CFEARDPGCRTEHO-GEWABHDNSA-N 301.361 3.230 10 10 DGCE Cn1ncc(C2CCC2)c1CNCc1cc(Cl)ccc1O 850391697 XMVLJWZQPKWFSU-UHFFFAOYSA-N 305.809 3.336 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CCO[C@](C)(C3CC3)C2)c1O 852322404 IULQPQGIYCHOIY-KRWDZBQOSA-N 323.820 3.249 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C(C)C)C2CC2)c1 852649642 RDCLKFLHFFQNHR-BZNIZROVSA-N 306.406 3.196 10 10 DGCE Cc1cc(O)c(CN2CCO[C@@H](C(F)(F)F)[C@H]2C)cc1C 853573316 WGGSLQLXDLUJCX-BXUZGUMPSA-N 303.324 3.161 10 10 DGCE COc1cccc([C@H](C)N[C@H](C2CCC2)[C@@H]2CCOC2)c1O 866513111 RMRFDZGQLKTSMK-DXCKQFNASA-N 305.418 3.257 10 10 DGCE COc1cccc([C@H](C)NC2CCC(C)(N(C)C)CC2)c1O 866516978 FRYJTFLTISMZGY-VNSJNIRKSA-N 306.450 3.314 10 10 DGCE CC[C@@H](NC[C@H]1CC2(CCOCC2)CO1)c1ccc(C)cc1O 866533370 QKYVBZCSASDQTQ-NVXWUHKLSA-N 319.445 3.327 10 10 DGCE Cc1nn(C)c(CN[C@@H](C)c2ccccc2O)c1Br 877758087 ILBOPTVZHGNVRJ-VIFPVBQESA-N 324.222 3.047 10 10 DGCE Cc1cc(N(C)C)ccc1CN1CCc2nc[nH]c2C12CCC2 895068522 DIIDXQCWBFVDJT-UHFFFAOYSA-N 310.445 3.222 10 10 DGCE Nc1ccc(Cc2noc(C[C@@H]3CCC4(CCC4)CO3)n2)cc1 904077072 OLWXHZXCKFEXAI-HNNXBMFYSA-N 313.401 3.134 10 10 DGCE CCCCC[C@@H](O)C(=O)NCc1c(O)ccc2ccccc12 1179033555 YFXGVNDECKHODN-QGZVFWFLSA-N 301.386 3.103 10 10 DGCE O=[N+]([O-])c1cc(Cl)cc(CNC2CC3(C2)CC3(F)F)c1O 1328698067 ZZESSSURUCWRJY-UHFFFAOYSA-N 318.707 3.231 10 10 DGCE c1cc(N2CCCC2)ccc1CNC1([C@H]2CCCCO2)CC1 1332329132 FHRQSNPZNIROAM-GOSISDBHSA-N 300.446 3.478 10 10 DGCE CCC1(CC)[C@@H](NC(=O)N[C@H](C)c2ccccc2O)C[C@@H]1OC 1564411063 CFTHRYDYTIROAV-KCXAZCMYSA-N 320.433 3.346 10 10 DGCE COC(=O)c1ccc(NC(=O)c2cc(O)cs2)cc1Cl 1586229392 IOPKPGIWQYCZBC-UHFFFAOYSA-N 311.746 3.146 10 10 DGCE CO[C@H](C(=O)NCc1cc(C)n(-c2ccccc2)c1C)C(C)C 1596481308 BHEGRPSCOJGQNL-SFHVURJKSA-N 314.429 3.381 10 10 DGCE COc1ccc(N(C)CC[C@@H](O)c2ccccc2)c(OC)c1 1616477129 RXRGOLGLMNCMBH-QGZVFWFLSA-N 301.386 3.264 10 10 DGCE O=C(CC1CC(c2ccccc2)C1)NCc1c(O)cccc1O 1635846808 BPAGLAHRQOCMML-UHFFFAOYSA-N 311.381 3.298 10 10 DGCE O=C([C@@H]1CCCO1)N1CCn2c3c(c4ccccc42)CCC[C@@H]31 1858183674 UCQZYRSJHUAPND-IRXDYDNUSA-N 310.397 3.040 10 10 DGCE COC[C@@H]1CC[C@@H](NCc2ccc(Br)cc2O)C1 1918599520 GEPRVADSWAPVPV-ZWNOBZJWSA-N 314.223 3.059 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[C@H](N)c1ccccc1O 1928473794 FUZCLZFWBXDYSL-LNSITVRQSA-N 306.406 3.085 10 10 DGCE CN[C@H](c1ccccc1O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C 1936977632 UXZKZIRMSYFHEQ-JGGQBBKZSA-N 320.433 3.156 10 10 DGCE C[C@@H](Nc1ccccc1N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 1959360997 JKBZNICPDOAXLY-OLZOCXBDSA-N 305.422 3.326 10 10 DGCE Cc1cccc(O)c1CNCC[C@H](C)N(C)C(=O)OC(C)(C)C 1976876558 BKAQHNDFEHJZRG-AWEZNQCLSA-N 322.449 3.436 10 10 DGCE Nc1ccc(N2CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 1980347011 RXTWCKJPLKMMRQ-ROUUACIJSA-N 307.441 3.227 10 10 DGCE Cc1ccc(CNC[C@H]2CCCN2C(=O)OC(C)(C)C)c(O)c1 1994457118 VXOLTJXWRVSHTQ-OAHLLOKOSA-N 320.433 3.190 10 10 DGCE C[C@H](N)c1ccc(N2CCC[C@H]2CF)c(Br)c1 2004419147 CWVPWCQRAQHLIL-ONGXEEELSA-N 301.203 3.407 10 10 DGCE Cc1cc(NS(=O)(=O)c2ccsc2Cl)ccc1O 2032681715 SSFOKMNNSLNSIE-UHFFFAOYSA-N 303.792 3.216 10 10 DGCE CNCc1ccc(N2CC[C@@H]3CC[C@@H]3C2)c(Br)c1 2068263964 WQBUHVCIECQNRV-QWHCGFSZSA-N 309.251 3.405 10 10 DGCE Nc1ccc(CCNc2ncc(F)cc2Br)cc1 2068326521 DHEYOHYRALCADX-UHFFFAOYSA-N 310.170 3.220 10 10 DGCE CCOC(=O)[C@@H](NCCCN=[N+]=[N-])c1csc(Cl)c1 2098185758 LCBJYBGBSSDAHY-JTQLQIEISA-N 302.787 3.296 10 10 DGCE COc1ccc([C@H](C)N[C@@H]2CCCC3(CC2)OCCO3)c(O)c1 2152100757 MRAPWNWAMIEVJJ-UONOGXRCSA-N 321.417 3.127 10 10 DGCE COc1ccc2nc(Sc3ncc([C@H](C)O)s3)[nH]c2c1 2159804544 FDZYKEKCJOUBAA-ZETCQYMHSA-N 307.400 3.233 10 10 DGCE CN[C@H](c1ccc(N(C)C)cc1)[C@@H](O)c1cc(Cl)cs1 2163132378 BCUIUJKJSKMEMB-CABCVRRESA-N 310.850 3.462 10 10 DGCE Oc1cc(Cl)ccc1CN1CCC[C@@H](OCC(F)F)C1 2279277135 RHBAGOIJNSZAGE-GFCCVEGCSA-N 305.752 3.292 10 10 DGCE CC(F)(F)c1ncc(C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)s1 2289297239 RPLSUWYMQOXACL-SSDOTTSWSA-N 301.322 3.170 10 10 DGCE CCN1C(=O)NC(=Cc2cc(C)n(Cc3ccccc3)c2C)C1=O 2294046331 DREXTYSOGXHOAL-UHFFFAOYSA-N 323.396 3.066 10 10 DGCE C[C@H](N)c1ccc(N(CCF)CCF)cc1Br 2301643924 MEPUULOWWNZRCE-VIFPVBQESA-N 307.182 3.214 10 10 DGCE CN(C[C@H]1C[C@@H](F)C1)c1ccc(CN)c(Br)c1 2307373007 YGPPZLMLTLWYHN-JGZJWPJOSA-N 301.203 3.092 10 10 DGCE CCC1=NN(c2ccccn2)C(=O)C1=Cc1ccc(OC)cc1 2332147941 DFMMXIKPGVEYLZ-UHFFFAOYSA-N 307.353 3.286 10 10 DGCE CC(C)[C@]12C[C@H]1C(=O)N(c1c(Cl)cc(N)cc1Cl)C2=O 2365779312 TYIDSBGNHUREKX-RMLUDKJBSA-N 313.184 3.111 10 10 DGCE CN(C)c1ccc(CNC(=O)c2ccccc2-n2cccc2)cc1 6351358 RULJJRFEPULNIC-UHFFFAOYSA-N 319.408 3.473 10 10 DGCE COC(=O)Cc1nc2c(O)cccn2c1/N=N\c1ccccc1 103997040 PRZYUSVFLMXYHY-HNENSFHCSA-N 310.313 3.171 10 10 DGCE Cc1nc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c(C)s1 178995991 ZGMMHADEPKMLLD-UHFFFAOYSA-N 303.431 3.098 10 10 DGCE COc1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)s1 121888339 WUTWWCXDGVZXOS-PKNBQFBNSA-N 308.428 3.213 10 10 DGCE C[C@@H]1CC[C@H](C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)O1 124991311 UJLOEHSQSHMUJA-CRAIPNDOSA-N 316.445 3.203 10 10 DGCE Cc1nn(C)c(C)c1C[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 120552765 LENAHEOKSJCDNK-KGLIPLIRSA-N 314.477 3.385 10 10 DGCE COc1ccc2c(c1)N[C@@](C)(C(C)C)CN2C[C@@H]1CCCNC1 75280955 LZUOEEPAAVCDLY-DNVCBOLYSA-N 317.477 3.341 10 10 DGCE CCS(=O)(=O)c1ccccc1N[C@@H](C)c1ccccc1O 37124569 LKLNROPJBSAPQY-LBPRGKRZSA-N 305.399 3.359 10 10 DGCE CCCNCc1c(C(F)F)nn(C)c1Sc1nccs1 2365336169 RVPIFSONQWSVAZ-UHFFFAOYSA-N 318.418 3.465 10 10 DGCE COc1ccc(N2CCCN(C(=O)[C@@H]3C[C@@H]3C(C)C)CC2)cc1 185082455 MDIINNIIGHDROT-QZTJIDSGSA-N 316.445 3.026 10 10 DGCE COCCN(CC(C)C)c1ccc(CN)c(C(F)(F)F)c1 42367081 AFYSGSYWJCXIJL-UHFFFAOYSA-N 304.356 3.273 10 10 DGCE OC[C@@H]1CN(Cc2cc(Cl)ccc2O)C[C@H]1c1ccsc1 190297517 ZIYRSQKEXUAGDY-ZFWWWQNUSA-N 323.845 3.315 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCC[C@@H](F)C1 424693752 JOFXYGLMBGOJMT-CHWSQXEVSA-N 306.381 3.006 10 10 DGCE COc1ccc(CN[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)cc1C 381846250 YXRYYOGVQYTYME-UONOGXRCSA-N 322.449 3.395 10 10 DGCE O=C(O)/C=C/c1ccc(N2CCO[C@H]3CCC[C@H]32)c(Cl)c1 227188856 ISYZDERQAZPEQG-ZWXLGZMVSA-N 307.777 3.196 10 10 DGCE COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H]3C[C@@H]3C)ccc21 343259512 MQCDKKHLHXWOEF-LRDDRELGSA-N 314.429 3.290 10 10 DGCE CN(Cc1ncc(C(F)(F)F)s1)Cc1ccccc1O 279467815 VBFKHDXAOYLAOV-UHFFFAOYSA-N 302.321 3.500 10 10 DGCE O=C(O)/C=C\c1ccc(N2C[C@@H]3CSC[C@H]3C2)c(Cl)c1 711575973 KJGDFNVBPUWZOT-DNDCWNJCSA-N 309.818 3.237 10 10 DGCE CCN(C)c1ccc(CN(C)[C@@H](CC(C)C)C(=O)OC)cc1 815121165 ROIIFYSJNPJWKU-KRWDZBQOSA-N 306.450 3.162 10 10 DGCE C=C/C(C)=C\CC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 819586576 ADLGWRIMSSUPFF-STJUIISESA-N 314.429 3.160 10 10 DGCE c1cc(N2CCOCC2)ccc1CNC12CCC(CC1)CC2 824935887 NKWXCSXLJCSNDH-UHFFFAOYSA-N 300.446 3.336 10 10 DGCE CSc1ccc(CNC(=O)/C=C\c2ccc(O)c(O)c2)cc1 588406243 YYKXMYOSUMZMNR-UITAMQMPSA-N 315.394 3.149 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCC2(CC2)C1 831923946 AFJTVJLMVXEZLS-JSGCOSHPSA-N 303.402 3.115 10 10 DGCE Cc1cc(N(C)C)ccc1CN[C@H](C)Cc1c(C)nn(C)c1C 840935128 GBTPENMMBPLLRI-CQSZACIVSA-N 314.477 3.132 10 10 DGCE C[C@@]1(CNCc2ccc(Br)cc2O)CC1(F)F 701016582 WMCCITLRKNBTRU-NSHDSACASA-N 306.150 3.290 10 10 DGCE COC(=O)c1ccc(O)c([C@@H](C)NCC2CCC(F)CC2)c1 842927313 FHXZADAEUMZADR-LKSINWNRSA-N 309.381 3.358 10 10 DGCE COc1ccc(N2CC[C@H](N[C@@H](C)c3ccc(F)cn3)C2)cc1 850489654 WGSKIIBSVLBGFD-ZFWWWQNUSA-N 315.392 3.159 10 10 DGCE CC1(CNC(=O)NCc2cc(Cl)ccc2O)C[C@@H]2C[C@H]2C1 858889696 KQYWTVVJXZVWPM-QWRGUYRKSA-N 308.809 3.281 10 10 DGCE C[C@H](NCc1cc(CO)ccc1F)c1ccc(N(C)C)cc1 859258812 UFBQTMKVMZMGED-ZDUSSCGKSA-N 302.393 3.235 10 10 DGCE CO[C@H](CN[C@H](C)c1cc(Cl)cc(C)c1O)[C@@H]1CCOC1 850484119 CPZZAWJCUAJXPW-LALPHHSUSA-N 313.825 3.056 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C(C)C)C2CC2)c1 852649641 RDCLKFLHFFQNHR-BDJLRTHQSA-N 306.406 3.196 10 10 DGCE COc1cc(CN(C)Cc2cc[nH]n2)c(O)c(C(C)(C)C)c1 754726281 NDBGEAMZFHHARH-UHFFFAOYSA-N 303.406 3.053 10 10 DGCE Fc1cc(CNC[C@@H]2CC[C@H]3C[C@@H]3C2)ccc1N1CCOCC1 858205137 RTEGVCSSPXAVEJ-PVAVHDDUSA-N 318.436 3.188 10 10 DGCE COc1ccc(N2CC[C@H](NC3CC(OC(C)(C)C)C3)C2)cc1 850487545 IBPOJXJHPWUKFF-SYJJWHGVSA-N 318.461 3.210 10 10 DGCE CC[C@@H](C)C(=O)COC(=O)c1cc(C)n(-c2ccccn2)c1C 756372039 PAWXUVZEYQSOMX-GFCCVEGCSA-N 314.385 3.261 10 10 DGCE CC[C@@H](NCCOCCCN)c1cc(Cl)cc(Cl)c1O 863547988 SWUSQPLGPIZQJJ-CYBMUJFWSA-N 321.248 3.105 10 10 DGCE CCOC(=O)c1cc(CN[C@H](C)c2cc(Cl)ccc2O)on1 866515216 DIBLUONDXKMDDI-SECBINFHSA-N 324.764 3.061 10 10 DGCE CN(C)c1cc(F)c(CN[C@H](C2CCC2)[C@H]2CCCO2)cc1F 864053622 XPDMBGJWYGBZGY-QZTJIDSGSA-N 324.415 3.468 10 10 DGCE C[C@@H](NC(=O)NCC[C@@H]1CCCS1)c1ccc(N(C)C)cc1 868515654 OSRKBKIVFLIXRH-CJNGLKHVSA-N 321.490 3.399 10 10 DGCE COC(=O)N1CCC[C@H]([C@@H](C)N[C@H](C)c2ccc(F)cc2O)C1 775582694 XPBLAHUDKHBNBZ-UPJWGTAASA-N 324.396 3.049 10 10 DGCE COc1ccc(CNC2(C(=O)Nc3ccccc3)CC2)cc1C 778217772 JZQGNDTYDMGWSM-UHFFFAOYSA-N 310.397 3.265 10 10 DGCE COc1ccc2c(c1)CCCCN2C(=O)/C=C\c1cncc(O)c1 779675640 ZRMOGXLBCIBRPD-YVMONPNESA-N 324.380 3.179 10 10 DGCE C[C@@H](NC(=O)COc1ccc(N(C)C)cc1)c1ccc(F)cc1 786863571 INXRRFXGKLPAEN-CYBMUJFWSA-N 316.376 3.148 10 10 DGCE Cc1cccc(O)c1CN(c1ccccn1)[C@H]1CC[C@H](N)CC1 895111204 BRFCCJKRRMQYFM-WKILWMFISA-N 311.429 3.372 10 10 DGCE C[C@@H](Nc1ccc(N)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 1959362543 XAWJFYWYDYQNIS-OLZOCXBDSA-N 305.422 3.326 10 10 DGCE OC1C[C@H]2CN(c3ccc(OCc4ccccc4)cc3)C[C@@H]2C1 1899870611 OKHWLONEPLBVJC-IRXDYDNUSA-N 309.409 3.473 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCCN(CCCCN=[N+]=[N-])CC1 1962287916 OPKLWBFHWRMKOU-CYBMUJFWSA-N 311.430 3.456 10 10 DGCE CC(C)c1ccc(C(=O)NCc2ccc3cccnc3c2O)cn1 1162612393 ISFKLOOEIHPUDD-UHFFFAOYSA-N 321.380 3.389 10 10 DGCE CN(C[C@@]1(C)CC1(F)F)c1ccc(CO)cc1Br 689350260 LHSIENYIFZUAPM-GFCCVEGCSA-N 320.177 3.423 10 10 DGCE Oc1cc(F)ccc1CNC[C@H]1CCN(Cc2ccccc2)C1 1964556901 REJSSACWSZTLLU-MRXNPFEDSA-N 314.404 3.143 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ncccc1F 1264287176 MJNMPOOWBTXIQF-UHFFFAOYSA-N 313.376 3.093 10 10 DGCE O=C(NCc1ccccc1O)c1c[nH]cc1Cc1ccccc1 1294925560 OOZVJRDCQWMCMN-UHFFFAOYSA-N 306.365 3.241 10 10 DGCE CNc1ccc(C(=O)N(C)Cc2ccccc2O)c(Cl)c1 1294679966 SUBBMLHYJQAVGL-UHFFFAOYSA-N 304.777 3.360 10 10 DGCE C[C@H](NC(=O)N1Cc2cccc(O)c2C1)c1nc2ccccc2[nH]1 1478852930 PUOIGWDUOGATBU-NSHDSACASA-N 322.368 3.055 10 10 DGCE O=C(Nc1cccc(N2CCCC2)c1)c1ccc(CO)c(F)c1 1544687687 PLJXAKWOOADBEW-UHFFFAOYSA-N 314.360 3.171 10 10 DGCE CCCCO[C@@H]1C[C@H](NC(=O)c2ccc(C)c(O)c2O)C1(C)C 1629523460 YIXHBJDCHGEUKT-UONOGXRCSA-N 321.417 3.120 10 10 DGCE CCn1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)c1C 1635964138 JTFOKMRNHAVQOV-UHFFFAOYSA-N 312.413 3.331 10 10 DGCE O=C(NCc1c(O)cccc1O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 1635846997 GBUHZLFFCPRRIY-BFHYXJOUSA-N 303.402 3.321 10 10 DGCE CC(C)Nc1cccc(F)c1NC(=O)Cc1ccc(O)c(O)c1 1643943359 UQIXOXLTMLRLHT-UHFFFAOYSA-N 318.348 3.238 10 10 DGCE COc1ccc(CN[C@@H]2CCCC3(CC2)OCCO3)cc1C 1965987472 FJCFPBGDUGSGNA-MRXNPFEDSA-N 305.418 3.169 10 10 DGCE NC(=O)c1cccc2c1N[C@@H](c1ccccc1O)[C@H]1CC=C[C@H]21 14473842 WIBYZHIONRWMHH-NVGCLXPQSA-N 306.365 3.318 10 10 DGCE CCC(CC)c1n[nH]c(=Nc2ccc(C(=O)OC)cc2O)s1 1859859294 KAIKRFAWCQYLNJ-UHFFFAOYSA-N 321.402 3.099 10 10 DGCE CN[C@@H](c1ccccc1O)[C@]1(C)CCN1C(=O)OC(C)(C)C 1912908719 AWVUUJWUVMIYEH-YOEHRIQHSA-N 306.406 3.052 10 10 DGCE Cc1cc(C(=O)N(C)c2ccc(N)cc2)oc1Br 1917594104 YWWDPTMABMITHC-UHFFFAOYSA-N 309.163 3.209 10 10 DGCE C[C@@H]1CCO[C@H]1CCNCc1cc(Br)ccc1O 1918153294 QUDFFIKXMWYIEJ-YGRLFVJLSA-N 314.223 3.059 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@](C)([C@H](N)c2ccccc2O)C1 1928472691 SSSVKIHGZIMRNA-PBHICJAKSA-N 306.406 3.039 10 10 DGCE CN[C@H](c1ccccc1O)[C@@H](NC(=O)OC(C)(C)C)C(C)C 1928474653 OXNJXDMWCJZTEH-LSDHHAIUSA-N 308.422 3.202 10 10 DGCE OCc1ccc(N2CCS[C@@H]3CC[C@@H]32)cc1Br 1946792181 RAWYGCAIPXATMC-QWHCGFSZSA-N 314.248 3.026 10 10 DGCE C[C@@]1(F)CCCN(c2ccc(CN)c(Br)c2)C1 1946854740 CHUSRLXTMHYRKJ-CYBMUJFWSA-N 301.203 3.236 10 10 DGCE COc1cccc(CNCCCCOCc2ccccc2)c1O 237193935 KCWXBTRFHSLYJO-UHFFFAOYSA-N 315.413 3.487 10 10 DGCE CC(C)(C)OC(=O)N1CCCCC(=O)[C@H]1c1ccc(N)cc1O 1953035944 HPEBCRIQDJLLCN-OAHLLOKOSA-N 320.389 3.006 10 10 DGCE CC(C)(C)OC(=O)N1CC=C(C[C@@H](N)c2ccccc2O)CC1 1985327606 IWLFFXPZKFOBMR-OAHLLOKOSA-N 318.417 3.349 10 10 DGCE C[C@@H](F)[C@@H]1CCCN1Cc1cccc(Br)c1O 2010592259 UZUOPNBCUQLNRI-SKDRFNHKSA-N 302.187 3.477 10 10 DGCE C[C@H]1CN(c2ccc3c(c2)CC[C@H]3N)CCN1Cc1ccccc1 2012693042 WPQUUCIZYWNYCE-HRAATJIYSA-N 321.468 3.343 10 10 DGCE COc1cc(NCc2cc(Cl)cc(Cl)c2O)nn1C 311656376 VOMBQVYPKNOWKF-UHFFFAOYSA-N 302.161 3.053 10 10 DGCE COc1cc(Cl)cc(CN[C@@H]2C[C@]2(C)C(F)(F)F)c1O 2161751244 USQWXBJLBZBIHD-PWSUYJOCSA-N 309.715 3.485 10 10 DGCE CO[C@@H](C)CN(c1ccc(CN)c(Br)c1)C(C)C 688119804 WSPWRBRAQIVSLO-NSHDSACASA-N 315.255 3.158 10 10 DGCE CC[C@@H](NCc1nn(C)cc1Br)c1ccccc1O 393348501 MWIRHAJACCCWIN-GFCCVEGCSA-N 324.222 3.129 10 10 DGCE CC(C)c1cnn(Cc2cc(Br)ccc2O)c1N 2070298793 OVGCPZDEGFDQJH-UHFFFAOYSA-N 310.195 3.105 10 10 DGCE CC[C@H]1C[C@H](N(C)c2cc(Cl)c(CN)cc2F)CCO1 2182949285 FYRINBDKGWMBJV-NEPJUHHUSA-N 300.805 3.332 10 10 DGCE CCCN[C@](CO)(CCCSc1nccs1)C(C)C 2087811705 KUXNTDARPKLPBF-AWEZNQCLSA-N 302.509 3.402 10 10 DGCE CCNCc1ccc(N2C[C@@H]3C[C@@H]3[C@H]3C[C@H]32)cc1Br 2117424268 PEYAKVYJWZNKCK-YYWXWVFPSA-N 321.262 3.403 10 10 DGCE CSc1ncc(CNCc2c(N)cc(F)cc2F)s1 2271364240 UBYLOHHSNJQQRB-UHFFFAOYSA-N 301.387 3.015 10 10 DGCE Cc1ccnc(C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])c1Br 2225794525 GPHCQNNATWLUNE-RKDXNWHRSA-N 324.182 3.114 10 10 DGCE Oc1cc(Br)ccc1CN[C@@H]1CC2C[C@@H]3C1[C@@H]3C2 2253519681 KLFKVHVNMALELR-ODQIJDEKSA-N 308.219 3.289 10 10 DGCE CSc1ncc(CNC[C@@H]2CC3(CCCC3)CCN2)s1 2284716936 BCYHJFDXTBJNFK-LBPRGKRZSA-N 311.520 3.267 10 10 DGCE Cc1ccc(CN(C)C(=O)CC(F)F)c(O)c1Br 2327799577 XNSFQRXMROJMGR-UHFFFAOYSA-N 322.149 3.077 10 10 DGCE CCOC1(C)CN(Cc2ccc(C)c(Br)c2O)C1 2327801930 WMPYPDQREOMLPB-UHFFFAOYSA-N 314.223 3.074 10 10 DGCE C[C@H]1C[C@@H](C)C(=O)N(c2c(Cl)cc(N)cc2Cl)C1=O 2340242922 PZRRFANMTQPGCF-KNVOCYPGSA-N 301.173 3.111 10 10 DGCE Cc1ccc(CNc2cc[nH]c(=N)c2C)c(O)c1Br 2352638616 XLNPKWIFUDQEOT-UHFFFAOYSA-N 322.206 3.191 10 10 DGCE Cc1cccc(C)c1N1C(=O)CN(Cc2ccccc2)C1=S 216408 QTRBHZZRTDCGRT-UHFFFAOYSA-N 310.422 3.437 10 10 DGCE CCOC(=O)[C@@](C)(NCCCN=[N+]=[N-])c1ccccc1Cl 90260002 YWWHNMRXAGUVGS-AWEZNQCLSA-N 310.785 3.408 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1C[C@@H]2CCC[C@H](C1)C2O 93479786 FVLQKPAKYYLUFX-XFLKPENQSA-N 316.228 3.292 10 10 DGCE CCN[C@H](C)c1ccc(N(C)Cc2csc(C)n2)cc1O 93671270 QDYLMFFGENHGGK-LLVKDONJSA-N 305.447 3.464 10 10 DGCE Cc1nccn1C[C@@H]1CCCN1Cc1cccc(Cl)c1O 180615059 RKXUAKBHPSUWJO-AWEZNQCLSA-N 305.809 3.215 10 10 DGCE O=C1N=C(Nc2ccccc2)S/C1=C/c1cnn2ccccc12 255017769 SMYHJEUDVJIOKZ-XNTDXEJSSA-N 320.377 3.417 10 10 DGCE COc1ccc(N(Cc2ccc(OC)nn2)[C@@H](C)C2CC2)cc1 283291442 XXWVARUGKSXVRI-ZDUSSCGKSA-N 313.401 3.299 10 10 DGCE O=S(=O)(NCc1ccccc1O)c1cccc2ccccc12 319684257 RVGZHKZNQIYDKL-UHFFFAOYSA-N 313.378 3.024 10 10 DGCE COc1ccc(O)c(CN[C@H](C)COCc2ccccc2)c1 390552330 DGYMIWZQYPWHCI-CQSZACIVSA-N 301.386 3.096 10 10 DGCE CC1(C)CN(C(=O)/C=C\c2cnccn2)c2ccccc2S1 492073697 OXGWWZRDISZHEZ-FPLPWBNLSA-N 311.410 3.407 10 10 DGCE CN(C[C@@]1(C)CC1(F)F)c1ccc(CN)c(Br)c1 689197319 VAWMVEFFPKDNMO-GFCCVEGCSA-N 319.193 3.389 10 10 DGCE Nc1ccc(C[C@H](O)Cc2cc(F)ccc2Br)cc1 696531244 ZNKHXSNCFZNGJM-AWEZNQCLSA-N 324.193 3.317 10 10 DGCE [N-]=[N+]=NCCCN[C@@H](C(=O)O)c1csc(C(F)(F)F)c1 703347549 ZBGITIVCJJAKHC-MRVPVSSYSA-N 308.285 3.183 10 10 DGCE Oc1cccc(Cl)c1CNCC1CN(Cc2ccccc2)C1 716273491 ZRQICCOXVFOACO-UHFFFAOYSA-N 316.832 3.267 10 10 DGCE COc1cccc(CNC(=O)NCC[C@@H]2CCC[C@@H](C)C2)c1O 745826696 CFJVFFSTMBOGRT-KGLIPLIRSA-N 320.433 3.416 10 10 DGCE COc1ccc(O)c(CN[C@H](C)[C@H]2Oc3ccccc3[C@@H]2C)c1 776231152 NLTBDZFXMXAPHR-QUJCMNEKSA-N 313.397 3.444 10 10 DGCE COc1cc(C)cc(NC(=O)c2ccc(C)c(O)c2O)c1C 787648886 HWTWCLADRKIRIQ-UHFFFAOYSA-N 301.342 3.284 10 10 DGCE CSCc1cc(F)ccc1CNC(=O)c1cccc(O)c1O 790874704 UFQWYXFJMLUXJZ-UHFFFAOYSA-N 321.373 3.030 10 10 DGCE CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2C(F)F)c1O 800445797 YYBATCFMDTYUDD-CYBMUJFWSA-N 301.308 3.354 10 10 DGCE Cc1cc(Cl)cc(CN2CCC[C@@H]3CN(C)CC[C@@H]32)c1O 809767952 YXBTYOWFAHCKMS-CJNGLKHVSA-N 308.853 3.270 10 10 DGCE COc1nn(C)cc1N[C@H](C)c1cccc(C(F)(F)F)c1O 815619032 AIKXVJYCBSYWQD-MRVPVSSYSA-N 315.295 3.326 10 10 DGCE Cc1cc(Cl)cc(CN[C@H](C2CC2)[C@H](CO)C2CC2)c1O 824845834 NJVHYYTVHXADHQ-HZPDHXFCSA-N 309.837 3.241 10 10 DGCE Cc1ccccc1C[C@@H](CO)NC/C=C\c1ccc(N(C)C)cc1 835050018 MAQAZBNXXMYUIP-LZVBJTEYSA-N 324.468 3.267 10 10 DGCE C[C@@H]1C[C@H](N2CCCC2)CN1C/C=C\c1ccc(N(C)C)cc1 835054799 YQIUFRFGRBPGNF-HTWXZYLJSA-N 313.489 3.324 10 10 DGCE Cc1cc(N(C)C)ccc1CN[C@@H](CO)c1sccc1C 840935203 IGFGMWKDFIAPFQ-INIZCTEOSA-N 304.459 3.254 10 10 DGCE Cc1cc(O)c(CN2CC=C(c3ccnn3C)CC2)c(Cl)c1 840948765 ZHOSNFYWHKSUQQ-UHFFFAOYSA-N 317.820 3.377 10 10 DGCE COc1ccc(N2CCC(N[C@@H]3CC[C@@H]4C[C@H]4C3)CC2)cc1 842780033 WNWHLPKBIXDRAK-HLLBOEOZSA-N 300.446 3.442 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCCC[C@@H]2[C@@H]2CCCN2)cc1 843048123 OAFVERRODSYCKB-SLVIYJBESA-N 313.489 3.372 10 10 DGCE C[C@H](N[C@H](c1ccccc1F)[C@H](C)O)c1ccc(F)cc1O 846182954 MLNQALDGMLFLKU-DINDLPBHSA-N 307.340 3.443 10 10 DGCE COCc1ccnc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)c1 846213873 VVXHCIWJDWINFM-JTQLQIEISA-N 303.318 3.015 10 10 DGCE CCN(CC)c1ccc(CN[C@H]2CCCn3nccc32)cc1F 850433380 LTPGNYVQFKKPKE-INIZCTEOSA-N 316.424 3.493 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@H]3CCCc4cccnc43)C2)cc1 850488578 NKDINWXTPUTPOY-APWZRJJASA-N 323.440 3.336 10 10 DGCE CC[C@@H](COCC1CC1)N[C@H](C)c1cc([N+](=O)[O-])ccc1O 850495208 YJHMJTHBOZVQCR-YPMHNXCESA-N 308.378 3.156 10 10 DGCE C[C@]12C[C@H]1CCC[C@H]2NCc1ccc(N2CCC(O)CC2)cc1 850567938 MKWUQNNCEINCLA-AHRSYUTCSA-N 314.473 3.316 10 10 DGCE C[C@@H](NCc1cc(F)c(N(C)C)cc1F)[C@@H](O)c1ccccc1 858164686 CTMRTTUJJPIHQX-KZULUSFZSA-N 320.383 3.243 10 10 DGCE CN1CCN(Cc2cc3c(cc2O)CCC3)[C@H](c2ccccc2)C1 917462508 HNFINSLSCYDJNK-FQEVSTJZSA-N 322.452 3.370 10 10 DGCE C[C@H](NS(=O)(=O)CCCc1ccccc1)c1ccccc1O 919117899 HLIWFWMDHKZKQX-AWEZNQCLSA-N 319.426 3.005 10 10 DGCE CN(C)c1ccc(/C=C/CNCc2cc(C3CC3)n(C)n2)cc1 922953711 SARYBCIJEWAACJ-SNAWJCMRSA-N 310.445 3.167 10 10 DGCE COc1ccc(N2CC[C@@H](CN[C@H](C)c3ccns3)C2)cc1 926611506 LYQFWPHCVQGCBK-KGLIPLIRSA-N 317.458 3.329 10 10 DGCE CC(C)N1CCC[C@@H](C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 1138363877 ROSNIZHVPDSQCP-DOTOQJQBSA-N 317.477 3.050 10 10 DGCE C[C@H](NC(=O)c1ncc(Cc2ccccc2)o1)c1ccccc1O 1151892354 OSZZIIQYEVYGPT-ZDUSSCGKSA-N 322.364 3.462 10 10 DGCE COc1ccccc1[C@@H](C)NC(=O)NCc1c(O)cccc1F 1254451320 LQMGHIGDXWNWTC-LLVKDONJSA-N 318.348 3.100 10 10 DGCE C/C(=C\C(=O)N(C)c1ccc(F)cc1Cl)c1cnccn1 1461434242 GIXWQWIEDLUPLM-JXMROGBWSA-N 305.740 3.335 10 10 DGCE Cc1cccc(-n2c(C)cc(C(=O)N[C@@H](CO)C(C)C)c2C)c1 1472434338 YVEWAZKMQIELPH-SFHVURJKSA-N 314.429 3.149 10 10 DGCE O=C(Nc1c(Cl)ccc2nonc12)c1ocnc1C(F)F 1520359399 NPNSEUNBUUGMTG-UHFFFAOYSA-N 314.635 3.054 10 10 DGCE C=C/C=C\CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 1632399470 VFRRQFXGFJANID-QGZUEGPWSA-N 301.386 3.032 10 10 DGCE C/C(=C\c1ccccc1Cl)C(=O)NCc1c(O)cccc1O 1639292623 KRFJXRAQMOOKDG-PKNBQFBNSA-N 317.772 3.471 10 10 DGCE Cc1nc(-c2cccnc2)nc(NCc2c(O)cccc2O)c1C 1640452641 FHBIHZPDQUDCRT-UHFFFAOYSA-N 322.368 3.179 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2nc(O)c3ccccc3c2C)c1 1641733159 JWGMOLZOOODMSF-UHFFFAOYSA-N 322.364 3.193 10 10 DGCE C/C(=C/C(=O)NCc1cccc(O)c1O)c1cccc(Cl)c1 1643812833 QZBNEWOYRXOHCO-FLIBITNWSA-N 317.772 3.471 10 10 DGCE COc1ccc(/N=N/N(C)CCc2ccncc2)cc1OC 1860485726 VVCGQTZFPFAZBX-VHEBQXMUSA-N 300.362 3.272 10 10 DGCE CC1(C)CC(NN=Nc2ccc3c(c2)OCO3)CC(C)(C)N1 1860490081 QSHVRHQFGYMPMQ-UHFFFAOYSA-N 304.394 3.313 10 10 DGCE CN(Cc1ccccc1O)c1ccc(CO)c(Br)c1 1877518143 QVUPTTLCILYFIO-UHFFFAOYSA-N 322.202 3.283 10 10 DGCE C[C@@H](O)[C@@H](NCc1cc(Cl)cc(Cl)c1O)C(F)(F)F 1882638944 JCZOOERRJFEBPH-GPXNAGAYSA-N 318.122 3.100 10 10 DGCE Cc1ccc(O)c(CNCc2ccc(Br)c(C)n2)c1 1896291648 DJZVBQJIQRAFOX-UHFFFAOYSA-N 321.218 3.456 10 10 DGCE [N-]=[N+]=NCCCCS(=O)(=O)c1ccc(Br)cc1 1912148406 SNEJKZJVTLFYMV-UHFFFAOYSA-N 318.196 3.313 10 10 DGCE CC[C@@H]1CCN(Cc2cc(Br)ccc2O)CCO1 1913664966 ABIVEDPMDBJZFE-CYBMUJFWSA-N 314.223 3.156 10 10 DGCE C[C@H]1CCO[C@@H]1CCNCc1cc(Br)ccc1O 1918153293 QUDFFIKXMWYIEJ-IINYFYTJSA-N 314.223 3.059 10 10 DGCE CON(CCN[C@H](C)c1cc(C)ccc1O)C(=O)OC(C)(C)C 1936451586 AZIKEMUKTSQZMS-CYBMUJFWSA-N 324.421 3.150 10 10 DGCE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H]1c1cc(N)ccc1O 1953059221 WZVXOLZFAQFVTG-LBPRGKRZSA-N 314.332 3.292 10 10 DGCE CC(C)(C)OC(=O)N1CCCC[C@@H](Nc2ccc(N)cc2)C1 1959377445 OFMXZFMTDDKYFA-OAHLLOKOSA-N 305.422 3.470 10 10 DGCE Oc1c(Br)cccc1CN1CC[C@@H](CCF)C1 1969935128 BFONFEBHMXHKII-SNVBAGLBSA-N 302.187 3.336 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CCCN2c2ccc(N)cc2)C1 1977967122 CFHNPGNVFXBXJV-CZUORRHYSA-N 317.433 3.105 10 10 DGCE Cc1ccc(CN[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)c(O)c1 1994456855 RLYSSTFXVOTFHF-VQIMIIECSA-N 310.441 3.453 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN1Cc1cc(Br)sn1 1994459514 JKIHELBIDNGUGD-QMMMGPOBSA-N 302.201 3.180 10 10 DGCE Nc1ccc(CCOC[C@@]2(Br)CC2(F)F)cc1 2023777274 LVVGABUZDGZPAF-NSHDSACASA-N 306.150 3.001 10 10 DGCE Cc1cccc(Cn2nc(CN(C)C)cc2C(F)(F)F)c1O 2079160472 CQGMMMSXIDPVCZ-UHFFFAOYSA-N 313.323 3.026 10 10 DGCE CC(C)n1ncc(Br)c1NCCc1ccc(N)cc1 2106191161 IUWSKDICHKDMIX-UHFFFAOYSA-N 323.238 3.463 10 10 DGCE COc1cc(Cl)cc(CNC[C@H]2C[C@H](SC)C2)c1O 2134040947 DNBCZEITLQDPPR-OTCDBFHCSA-N 301.839 3.285 10 10 DGCE CN(Cc1c(O)cccc1Cl)[C@@H]1CO[C@@H](C(F)(F)F)C1 2185543092 ODNJGRFYWPKZSJ-QPUJVOFHSA-N 309.715 3.197 10 10 DGCE Cn1cc(NCc2cccc(Br)c2O)c(Cl)n1 2216811396 SHLCAUGPKNNPSS-UHFFFAOYSA-N 316.586 3.154 10 10 DGCE CN(c1ccc(CN)c(Br)c1F)C1C[C@@H]2C[C@H]2C1 2222648093 GQYWDIBUIUKFMT-UWVGGRQHSA-N 313.214 3.282 10 10 DGCE CSc1ncc(Cn2cncc2[C@H]2CC(C)(C)CN2)s1 2284715492 WKOYNGILHHNFBF-LLVKDONJSA-N 308.476 3.170 10 10 DGCE O=C(C=Cc1cncc(F)c1)N1CCSc2ccccc21 2297493325 LXMXEBBQHCSIRR-UHFFFAOYSA-N 300.358 3.373 10 10 DGCE O=C(C=Cc1cccnc1)N1CCN(C2CC2)c2ccc(F)cc21 2309898510 WYIUGLYCCDGEPD-UHFFFAOYSA-N 323.371 3.250 10 10 DGCE CC(=O)N(C(=O)NC=Cc1ccc(F)cc1)c1ccc(N)cc1 2325907428 IXGGHBMDQRGAMY-UHFFFAOYSA-N 313.332 3.141 10 10 DGCE CCCCOc1ccc(C=C2C(=O)N(C)N=C2C)cc1OC 2332125620 WRBUXMOSLPPTGR-UHFFFAOYSA-N 302.374 3.105 10 10 DGCE Cc1ccc(CNC(=O)[C@]23C[C@H](C)[C@@H]2C3)c(O)c1Br 2352644046 VULOLUSSIGLYJX-ZSGNIPIJSA-N 324.218 3.125 10 10 DGCE Cc1ccc(CN(C)C(=O)C2[C@@H]3CC[C@@H]23)c(O)c1Br 2352657141 RJQSQUZJDMYLSM-GHMZBOCLSA-N 324.218 3.078 10 10 DGCE C[C@H](NCc1cc(OC(F)(F)F)ccc1O)C1CSC1 2361043872 QBAKHGCFAAFADF-QMMMGPOBSA-N 307.337 3.132 10 10 DGCE CCN(Cc1cccs1)[C@H](CN)c1ccc(N(C)C)cc1 48970258 WYNPAZLSWRXUTB-QGZVFWFLSA-N 303.475 3.336 10 10 DGCE Cc1ccc([C@@H](C)NC(=O)CCOc2ccc(N)cc2)s1 49149390 HODHCHRHEGXZBT-GFCCVEGCSA-N 304.415 3.285 10 10 DGCE COc1ccc2c(ccc(=O)n2CCCOc2ccc(N)cc2)c1 75282515 MNTPFNMLPUXQKA-UHFFFAOYSA-N 324.380 3.061 10 10 DGCE CCc1ccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)s1 85204647 HHJPLQDLSKJHSU-UHFFFAOYSA-N 317.819 3.470 10 10 DGCE CCOC(=O)CN(Cc1cc(OCC)ccc1O)C1CCCC1 93687095 DGLHZZMWBIJWQE-UHFFFAOYSA-N 321.417 3.099 10 10 DGCE CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccc(Cl)cn1 109731744 HSNRRNREOPQKQL-RMKNXTFCSA-N 317.732 3.319 10 10 DGCE Cc1cncc(/C=C/C(=O)N2CCCc3c2cccc3[N+](=O)[O-])c1 162097164 DETIEIACSNDQJP-BQYQJAHWSA-N 323.352 3.291 10 10 DGCE CCNCc1ccc(N(C)[C@@H](C)COC)cc1C(F)(F)F 167370101 ODKMMYVGBXHZOU-NSHDSACASA-N 304.356 3.286 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)C(=O)Nc1c[nH]c2ccccc12 170027656 PYHVSHWYWPJWOR-LLVKDONJSA-N 310.353 3.396 10 10 DGCE Oc1c(Cl)cccc1CN1CCO[C@H](c2nccs2)C1 180008057 BWCWCJRZFVQLMZ-LBPRGKRZSA-N 310.806 3.076 10 10 DGCE CCCOc1ccc(CN(C)[C@H](C)c2cnn(C)c2)c(O)c1 180978652 PDHFLWMVQNSLDR-CYBMUJFWSA-N 303.406 3.108 10 10 DGCE Cn1nccc1C1CCN(Cc2c(O)ccc(Cl)c2F)CC1 191303600 QGCXPVHCWKXSIN-UHFFFAOYSA-N 323.799 3.298 10 10 DGCE CCCCCN/C(C)=C1/C(=O)N(c2ccc(OC)cc2)N=C1C 205931997 ULRLHEIVPRWLDU-GHRIWEEISA-N 315.417 3.472 10 10 DGCE Cc1ccnc(CNC(=S)Nc2ccc(N)cc2Cl)c1 244214328 VWBPCCBAPWXYHG-UHFFFAOYSA-N 306.822 3.112 10 10 DGCE CC[C@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)[C@H]1CCCO1 246272878 ATHBDEMBIHHPSF-AYOQOUSVSA-N 318.461 3.131 10 10 DGCE CNCc1ccc(N2CCN(Cc3ccccc3)C[C@@H]2C)c(C)c1 382761727 ZTOXXGMNIIUIPB-SFHVURJKSA-N 323.484 3.425 10 10 DGCE Oc1c(F)cc(Br)cc1CN[C@H]1C[C@@H]2C[C@@H]2C1 715768428 DACOHVUUMBYJSA-AKZRSSKFSA-N 300.171 3.182 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)C[C@H](C)c1cccnc1 734467806 FUOBADQWGITIRM-HNNXBMFYSA-N 311.429 3.266 10 10 DGCE Cc1cc(C(=O)CSCCO)c(C)n1-c1ccc(F)cc1 747836800 MCDJIRIPQFCNLS-UHFFFAOYSA-N 307.390 3.141 10 10 DGCE CCN(CC)c1ccc(CN(C)[C@@H]2CCN(C3CC3)C2)cc1 769326398 LJDKOGMGHNNAFR-LJQANCHMSA-N 301.478 3.201 10 10 DGCE C[C@H](NC(=O)c1c(F)ccc(O)c1O)c1ccc(F)c(F)c1 789944672 VUKDIQFMALNDHB-ZETCQYMHSA-N 311.259 3.006 10 10 DGCE CNC(=O)C[C@H](N[C@@H](C)c1ccc(C)cc1O)c1ccccc1 795849980 SAUQBMALZZTGKC-YOEHRIQHSA-N 312.413 3.229 10 10 DGCE O=C(NCc1cc(Br)ccc1O)[C@H]1CC=CCC1 804739346 WSESGMNNLGPBRP-JTQLQIEISA-N 310.191 3.127 10 10 DGCE CCN1CCN(c2ccc(CN[C@@H]3C[C@@H](C)[C@H]3C)cc2F)CC1 813858587 ASTNSTOIYXMANF-IIDMSEBBSA-N 319.468 3.102 10 10 DGCE OC1(CNCc2ccc(N3CCSCC3)cc2)CCCCC1 818963909 FBAYIURFZFSTKP-UHFFFAOYSA-N 320.502 3.025 10 10 DGCE CN(C)c1ccc(CN[C@H]2CCn3ccnc32)c(C(F)(F)F)c1 824527178 SLIGWWJIWHOULX-AWEZNQCLSA-N 324.350 3.203 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCC[C@@]2(CCNC2)C1 843123961 SNTXPXPPBWCTEY-HNNXBMFYSA-N 315.244 3.275 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CC[C@H]3C[C@@H]3C2)cc1 844855879 CECPOLPHKJHBMP-ARFHVFGLSA-N 316.445 3.026 10 10 DGCE COc1ccc(N2CC[C@H](NCc3cc4cccnc4o3)C2)cc1 850347809 XZYVPKCYESVHMN-HNNXBMFYSA-N 323.396 3.205 10 10 DGCE COC[C@H](CCN[C@@H](C)c1cc(Cl)cc(C)c1O)OC 850487197 YEUPBCKESMVKQG-AAEUAGOBSA-N 301.814 3.056 10 10 DGCE CCC(=CC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)CC 855234090 RZEMNNYXRLCYHG-HNNXBMFYSA-N 302.418 3.137 10 10 DGCE Cc1c(CN(C)c2ccc(OCCN(C)C)cc2)ccnc1F 862326234 LIOHEVJZQNLIJN-UHFFFAOYSA-N 317.408 3.106 10 10 DGCE COc1ccc(C(C)(C)NC(=O)c2cc(O)cs2)cc1F 862861231 HAAGQQHZJXSSNI-UHFFFAOYSA-N 309.362 3.267 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@H]2C[C@@H](C(=O)OC(C)(C)C)C2)c1 866525196 PJGVYTQBYSDZEK-RWMBFGLXSA-N 321.417 3.172 10 10 DGCE CC[C@@H](NC[C@]1(OC)CCSC1)c1ccc(N(C)C)cc1 903308893 AITMYXPXDVAONZ-IAGOWNOFSA-N 308.491 3.315 10 10 DGCE O=C(NCc1ccc(O)cc1O)[C@@H]1CCCC[C@H]1C(F)(F)F 910944678 WYXCMCPSQKTIHL-VXGBXAGGSA-N 317.307 3.083 10 10 DGCE COC[C@@H](CNCc1cccc(Br)c1O)C(C)C 922949686 PIRWGCDBKYXRTD-GFCCVEGCSA-N 316.239 3.163 10 10 DGCE C[C@H](N[C@H]1C[C@@](CN)(c2ccccc2)C1)c1cc(F)ccc1O 925886988 PAKCTARGHJVIJM-IYJAJMOOSA-N 314.404 3.241 10 10 DGCE COc1ccc(N(C)CC(=O)Nc2ccc(F)cc2F)cc1 1171746149 PBNCLIOLACLBLX-UHFFFAOYSA-N 306.312 3.048 10 10 DGCE Cc1cccc2c(CCC(=O)NCc3c(O)cccc3O)c[nH]c12 1178912898 YDBJCZDZQSPOQA-UHFFFAOYSA-N 324.380 3.137 10 10 DGCE O=S(=O)(Nc1ccc(O)cc1)c1cc(Cl)c(F)cc1F 1260195464 BTTTYTCTBYIKLS-UHFFFAOYSA-N 319.716 3.125 10 10 DGCE O=C(NCc1cccc(Cl)c1O)[C@H]1CCc2ccccc2O1 1305085394 XNLBHYBOSNSSKU-OAHLLOKOSA-N 317.772 3.056 10 10 DGCE O=C(NCc1cccc(Cl)c1O)N[C@@H]1C[C@H]1c1ccccc1 1312615301 HRELDZYNYVIQPH-DZGCQCFKSA-N 316.788 3.401 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1nn(CC)cc1Cl 1465845443 BDZKERXVQUNYOB-UHFFFAOYSA-N 321.808 3.314 10 10 DGCE Cn1ccc(C(=O)NCc2c(O)cccc2O)c1-c1ccccc1 1472063096 CCVJXVMWIOYTAU-UHFFFAOYSA-N 322.364 3.033 10 10 DGCE Cc1ccc(C2(CNC(=O)c3cccc(O)c3O)CC2)c(C)c1 1556791442 PHZPKPQSQIEQQH-UHFFFAOYSA-N 311.381 3.176 10 10 DGCE Cc1cccn2cc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)cc12 1632681793 VJGVHQAHRZKGCY-CYBMUJFWSA-N 324.380 3.020 10 10 DGCE O=C(c1cc(-c2ccccc2)on1)N1Cc2cccc(O)c2C1 1636230347 AEJUJTPXTIAXIY-UHFFFAOYSA-N 306.321 3.203 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CC3CCC2CC3)cc1 1638804575 WBVJASMSFHYNTD-ORHYLEIMSA-N 314.389 3.405 10 10 DGCE CC(=O)c1cc(C(=O)NCc2cc(Cl)ccc2O)cs1 1644590844 RDVROUKTMIQAPX-UHFFFAOYSA-N 309.774 3.240 10 10 DGCE CC(=O)c1cc(F)cc(CN[C@H]2C[C@H](OC(C)C)C2(C)C)c1O 1645713734 ORVHAUJCPOEJTK-HOTGVXAUSA-N 323.408 3.416 10 10 DGCE CC(C)(C)OC(=O)N1CCN(/N=N/c2cccc(F)c2)CC1 1860484332 IDAUROQRCZKBCL-ISLYRVAYSA-N 308.357 3.377 10 10 DGCE CCCOC(=O)c1cccc(/N=N/N2C[C@@H](C)O[C@H](C)C2)c1 1860486939 RCFVSRUKOXVRDH-HWSXFHHQSA-N 305.378 3.361 10 10 DGCE CCOc1ccc2cc(C(=O)Nc3ccc(N)cc3)c(=O)oc2c1 1866291231 CUODMJUPYNTNSL-UHFFFAOYSA-N 324.336 3.026 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H]1CCOc1ccc(N)cc1 1952853644 NJTAZTCUDAVFJL-CQSZACIVSA-N 306.406 3.437 10 10 DGCE [N-]=[N+]=NCCNC(=O)c1cc(Br)c(Cl)s1 1961678149 YBHPNBZNNMZNGR-UHFFFAOYSA-N 309.576 3.204 10 10 DGCE C[C@@H]1[C@@H](C)N(CCCN=[N+]=[N-])[C@H](C)CN1C(=O)OC(C)(C)C 1962302924 DIUPSRAADJKSJO-JHJVBQTASA-N 311.430 3.405 10 10 DGCE Cc1cccc(O)c1CN[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1976876481 XUXRQNVRBVTIRY-AWEZNQCLSA-N 320.433 3.190 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](Oc3ccc(N)cc3)C[C@H]2C1 1992497961 KTCLDWDUNFVNGT-VIKVFOODSA-N 318.417 3.293 10 10 DGCE CC(C)(C)OC(=O)NCCCC1CN(Cc2ccc(N)cc2)C1 1992737555 BAYUXMOPAFMNLT-UHFFFAOYSA-N 319.449 3.006 10 10 DGCE CSCC1CN(c2ccc([C@H](C)N)cc2Br)C1 1998191736 NSSSZGPTITUHHQ-VIFPVBQESA-N 315.280 3.268 10 10 DGCE CCCOC1CN(c2ccc([C@@H](C)O)c(Br)c2)C1 2040860751 XSQGUBCYSSYMAA-SNVBAGLBSA-N 314.223 3.118 10 10 DGCE CC(C)OC1CN(c2ccc([C@H](C)N)c(Br)c2)C1 2040864313 DCTSVYKXRGJDNN-JTQLQIEISA-N 313.239 3.082 10 10 DGCE CN(CC1[C@@H]2CC[C@@H]12)c1cc(Br)c(CN)cc1F 2041985512 DXDCNUSOBVPKIQ-NXEZZACHSA-N 313.214 3.139 10 10 DGCE CN(Cc1ccc(N)cc1)c1c(F)cncc1Br 2044340562 MIZLNYAJJIJBHX-UHFFFAOYSA-N 310.170 3.202 10 10 DGCE Nc1ccc(OC[C@H](O)c2ccc(Br)cc2)cc1 2050527731 LMJJMHDBSPIKGZ-AWEZNQCLSA-N 308.175 3.144 10 10 DGCE Oc1c(F)cc(Br)cc1CNC[C@H]1CCC1(F)F 2062550392 GEHQMIBBUVFCDQ-MRVPVSSYSA-N 324.140 3.429 10 10 DGCE COc1ccc(O)c(Cn2nc(C3CCCC3)cc2C(=O)O)c1 2069904057 BFGYQTOQHDFBGX-UHFFFAOYSA-N 316.357 3.001 10 10 DGCE Cc1cc(O)c([C@H](C)n2ncc(Br)c2O)cc1C 2070460442 DADBEZNVOARZBF-VIFPVBQESA-N 311.179 3.283 10 10 DGCE Nc1ccc(C[C@H](O)c2ccc(F)cc2Br)cc1 2077804628 CBNSWBUKPUXSFX-AWEZNQCLSA-N 310.166 3.447 10 10 DGCE CN(c1ccc(Br)cc1)c1ccnc(CCN)c1 2084874018 TXVADRHPJVYKHS-UHFFFAOYSA-N 306.207 3.113 10 10 DGCE CN1CCCC[C@@H](NCc2cc(Cl)cc(Cl)c2O)C1 2102349092 CUBURBVEYLWHKK-GFCCVEGCSA-N 303.233 3.273 10 10 DGCE CCCN[C@@](CCCSc1nccs1)(C(=O)O)C(C)C 2144127419 WXBORRWYHKFNAM-CQSZACIVSA-N 316.492 3.494 10 10 DGCE CN(Cc1cc(Cl)cs1)c1ccc2c(c1)NC(=O)[C@@H]2O 2150408963 VDHRAJHWNXHAAS-CYBMUJFWSA-N 308.790 3.023 10 10 DGCE COCCNCc1cnc(Sc2ccc(F)c(F)c2)s1 2155334118 INCUXVSZFSNVKK-UHFFFAOYSA-N 316.398 3.309 10 10 DGCE CO[C@@H]1CC[C@@H]1CSc1ncc(CNCC(C)C)s1 2230509904 KAAUHCUDYBIKNW-DGCLKSJQSA-N 300.493 3.406 10 10 DGCE C[C@H](c1ccc(Cl)cc1O)N(C)C[C@@H](F)[C@@H]1CCOC1 2238371207 XJOUKHGRDWVIMC-JTNHKYCSSA-N 301.789 3.413 10 10 DGCE CNCc1ccc(N2C[C@H]3C[C@@H]3C2(C)C)cc1Br 2257027128 QZFVFTGRBMBNFM-YPMHNXCESA-N 309.251 3.403 10 10 DGCE COCCNCc1cnc(SC[C@H]2CC[C@H](C)C2)s1 2268694511 ARCUAOCIAYOFSS-RYUDHWBXSA-N 300.493 3.407 10 10 DGCE Cc1cc(N2CCCC2)ccc1C=C1SC(=S)N(C)C1=O 2297365530 HAEDDOGSJNGPBH-UHFFFAOYSA-N 318.467 3.426 10 10 DGCE CNCc1ccc(N2[C@@H]3C=CC[C@H]2CC3)c(Br)c1 2310797591 BHPQFSNKUURZJC-OLZOCXBDSA-N 307.235 3.466 10 10 DGCE CN(CC[C@H](O)c1cccs1)c1ccc(CO)c(Cl)c1 2365929263 WCJFUFMWURIXFJ-AWEZNQCLSA-N 311.834 3.454 10 10 DGCE O=C1N=C(c2ccccc2)S/C1=C/c1ccc2c(c1)OCO2 7017994 TYQVKYWUAIBXOD-OQLLNIDSSA-N 309.346 3.476 10 10 DGCE O=C1/C(=C/c2cccc3ccccc23)SC(=S)N1CCO 16904904 WQEIDDXZUBUEPN-UVTDQMKNSA-N 315.419 3.033 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCC[C@H]1[C@@H]1CCCN1 51357048 ROYXPODUVTXNRP-KBPBESRZSA-N 315.244 3.415 10 10 DGCE Nc1ccc(OCCC[S@@](=O)c2cccc(Cl)c2)cc1 54186016 UYWVPZRVZYETSQ-FQEVSTJZSA-N 309.818 3.499 10 10 DGCE Nc1ccc(NC(=O)CCSc2ccc(Cl)cn2)cc1 79424284 OCACIELWSVCFRK-UHFFFAOYSA-N 307.806 3.438 10 10 DGCE CN[C@@H](c1ccc(N(C)C)cc1)c1c(Cl)cnn1C(C)C 97422056 LDIHHHXFURWBTC-HNNXBMFYSA-N 306.841 3.492 10 10 DGCE COc1cccc(CN2C[C@@H](c3ccccc3)OC[C@H]2C)c1O 130657644 FHLVTSATJNTXCJ-KDOFPFPSSA-N 313.397 3.363 10 10 DGCE Cc1cc(C)c(O)c(CN2CCC[C@H](Cc3noc(C)n3)C2)c1 164285675 BMMBZOWERZCKGB-OAHLLOKOSA-N 315.417 3.155 10 10 DGCE CCCNCc1ccc(N2CCOCC2)cc1C(F)(F)F 167337157 RUQJIKCMSZOVDH-UHFFFAOYSA-N 302.340 3.042 10 10 DGCE CCN[C@@](CO)(CCSc1nccs1)c1ccccc1 168455952 DLRLNKNKHYQRMO-OAHLLOKOSA-N 308.472 3.123 10 10 DGCE CCCN(Cc1ccccc1O)Cc1cc([N+](=O)[O-])ccc1O 173282832 GQUKFTXTDMWATP-UHFFFAOYSA-N 316.357 3.418 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@@H](C)c2nc(C(C)(C)C)no2)c1 182366168 UESOAWWLFCCRLK-QWRGUYRKSA-N 319.405 3.493 10 10 DGCE Cc1nn(C)c(C)c1C[C@H](C)N[C@H](C)c1ccc(F)c(F)c1O 187735648 LMKDNNFYOONJCG-VHSXEESVSA-N 323.387 3.303 10 10 DGCE Cc1nc2ccc(NC(=O)Nc3ccc(N)cc3)cc2nc1C 217301899 IZNYICUSZYTXAP-UHFFFAOYSA-N 307.357 3.473 10 10 DGCE Cc1cc(Br)cc(CN[C@@H]2CCOC2(C)C)c1O 294734762 GPBIJHYJRNGPNV-GFCCVEGCSA-N 314.223 3.120 10 10 DGCE Oc1c(Br)ccc(Br)c1[C@@H]1CCCN1 306571512 OAJNSNLGVQBZAB-QMMMGPOBSA-N 321.012 3.342 10 10 DGCE CC1(C)[C@H]2CN(c3cc(Br)c(CN)cc3F)C[C@@H]21 379534232 GQHYCCGOGBFAGC-UWVGGRQHSA-N 313.214 3.139 10 10 DGCE NCc1ccc(N2CCC(F)(F)CC2)c(F)c1Br 405110236 CFSCBDGZORYTGQ-UHFFFAOYSA-N 323.156 3.282 10 10 DGCE Cc1ccc(/C=C/C(=O)N(C[C@@H]2CCCO2)c2ccncc2)cn1 492551627 ULXXKDPSEVRYIQ-DKFQHHCZSA-N 323.396 3.010 10 10 DGCE Oc1cc(Br)ccc1CNC1(C(F)(F)F)CC1 691428090 JIWBMWMKFXNAOW-UHFFFAOYSA-N 310.113 3.339 10 10 DGCE CC1(C)CO[C@@H](CNCc2cc(Br)ccc2O)C1 717398959 VVRFUZPWRYJAJT-GFCCVEGCSA-N 314.223 3.059 10 10 DGCE CCc1cccc(CC(=O)NCc2ccc(N(C)C)c(F)c2)c1 751784051 IAMBMDMMDURHRJ-UHFFFAOYSA-N 314.404 3.313 10 10 DGCE Cc1cc(C(=O)Nc2ccc(CO)cc2)c(C)n1-c1ccccn1 771482142 MQLVHECSSIJGMY-UHFFFAOYSA-N 321.380 3.234 10 10 DGCE C[C@H]1CCCCCN1Cc1ccc(N2CCN(C)CC2)cc1 775702085 POPNMWRTSWZMFB-KRWDZBQOSA-N 301.478 3.203 10 10 DGCE CC(C)N(Cc1cccc(Br)c1O)[C@H]1CCOC1 812776763 ONXXSQLHWUBWIG-LBPRGKRZSA-N 314.223 3.154 10 10 DGCE Cc1nocc1CN(C)c1ccc(OCCN2CCCC2)cc1 816566151 MIWMUTLFENYANX-UHFFFAOYSA-N 315.417 3.094 10 10 DGCE CCN(CC)c1ccc(CN2CCC[C@H](C)[C@H]2C(=O)O)cc1 818631646 MBZGLEMQJZAWCP-YOEHRIQHSA-N 304.434 3.218 10 10 DGCE Cc1cc(Cl)cc(CN(CCO)C2CCSCC2)c1O 825133736 MHVVAYSKSOCUDP-UHFFFAOYSA-N 315.866 3.044 10 10 DGCE Nc1ccc(CCNC(=O)CCCCC(=O)c2ccccc2)cc1 832659114 MOYZCKAFLZMMEM-UHFFFAOYSA-N 324.424 3.371 10 10 DGCE C[C@H](N[C@@H]1CCn2ccnc21)c1cccc(C(F)(F)F)c1O 834831540 JUXLDMKATUXMNN-JOYOIKCWSA-N 311.307 3.403 10 10 DGCE Cc1cc(O)c(CN2CCC[C@@H](c3nc(C)no3)C2)c(Cl)c1 840910413 GGPINBAMWOSSNC-GFCCVEGCSA-N 321.808 3.425 10 10 DGCE COc1cc(CNc2cn(C)nc2OC)c(O)c(C(C)(C)C)c1 850272263 PDHDSTJKSWJKSW-UHFFFAOYSA-N 319.405 3.053 10 10 DGCE C[C@H](N[C@@H]1C[C@H](O)c2ccccc21)c1cc([N+](=O)[O-])ccc1O 850528181 JDORVKOQLNOXDV-FGDXXIHYSA-N 314.341 3.129 10 10 DGCE C[C@@H](NCc1ccc(N2CCOCC2)cc1)C1CC(F)(F)C1 862273250 VMDIFXUYHGVILI-CYBMUJFWSA-N 310.388 3.047 10 10 DGCE Cc1cc(CN2CCC[C@H]([C@H]3CCCN3)C2)ccc1N(C)C 923327625 DWEFTRFJKUNNKB-ZWKOTPCHSA-N 301.478 3.025 10 10 DGCE C[C@H](NCC[C@@H]1CCC2(CCC2)O1)c1cc([N+](=O)[O-])ccc1O 927127213 GOFPJUAWPYSXTH-JSGCOSHPSA-N 320.389 3.443 10 10 DGCE O=C(c1cccc(O)c1O)N1CCC[C@H]1c1ccc(F)cc1F 1148218787 LFZLKNYPLWOYJL-AWEZNQCLSA-N 319.307 3.353 10 10 DGCE CCOc1cc(NCc2ccc(N(C)C)c(F)c2)nc(C)n1 1185088994 REYOBIDRVHAZSO-UHFFFAOYSA-N 304.369 3.001 10 10 DGCE COc1ccc(Br)c(CN2CCC[C@H](C)C2)c1O 1231547843 KIYMDDNORIEDKZ-JTQLQIEISA-N 314.223 3.395 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)[C@@]2(C)CCC[C@@H]2C)cc1 1300279573 HXVYTCMQEQNTLG-KXBFYZLASA-N 318.461 3.416 10 10 DGCE CC[C@@H]1CCC[C@@H]1C(=O)N(C)CCN(C)c1ccc(OC)cc1 1531375043 PSBNBUSIHPNKLI-QAPCUYQASA-N 318.461 3.416 10 10 DGCE C/C(=C\C(=O)N(CC(F)F)c1ccc(F)cc1)c1cnccn1 1531489966 KUYXGNAJIIUNDU-DHZHZOJOSA-N 321.302 3.317 10 10 DGCE Cc1c(C(=O)O)cc(C(F)(F)F)n1-c1cccc([N+](=O)[O-])c1 1542990110 NSRQFRCJZNRXIW-UHFFFAOYSA-N 314.219 3.411 10 10 DGCE Cc1cc(NC(=O)Cc2ccc(O)c(O)c2)ccc1OC(C)C 1543990363 WSAYAHJECADYFJ-UHFFFAOYSA-N 315.369 3.375 10 10 DGCE COc1ccc(N(CC(=O)NCCC(C)(C)C)CC2CC2)cc1 1559848432 RDARBLAIDPYVEI-UHFFFAOYSA-N 318.461 3.464 10 10 DGCE CC[C@@H]1CCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])[C@@H]1C 1612278704 IBBGTLHUBKCFSP-QJUZWUIZSA-N 318.373 3.406 10 10 DGCE Cc1ccc(SCC(=O)NCc2cc(O)ccc2O)c(C)c1 1637122204 BFNJBAJKEHHCGY-UHFFFAOYSA-N 317.410 3.123 10 10 DGCE C[C@@]1(CNC(=O)NCc2cccc(Cl)c2O)C[C@@H]2C[C@@H]2C1 1684416244 RWHOTLXDKXLCMW-ATCWAGBWSA-N 308.809 3.281 10 10 DGCE O=C1/C(=C\c2ccsc2)SC(=S)N1CCCCCO 1858589701 GCCGATVAZANGEL-DHZHZOJOSA-N 313.469 3.112 10 10 DGCE O=[N+]([O-])c1ccc(N=c2[nH]c3ccc(F)cc3s2)c(O)c1 1859857812 KVWKMCNQANVVCP-UHFFFAOYSA-N 305.290 3.215 10 10 DGCE CCN1CCN(/N=N/c2ccc(Br)c(C)c2)CC1 1860488084 CBAGNWBCIAZDFH-FOCLMDBBSA-N 311.227 3.394 10 10 DGCE Nc1ccc(Cc2ccc(NC(=O)c3ccc(O)nc3)cc2)cc1 1865973544 NZACFJJGUMUSCY-UHFFFAOYSA-N 319.364 3.213 10 10 DGCE CO[C@@]1(CNCc2ccc(Cl)cc2O)CCCSC1 1879928272 RBIGPADGYBODHJ-CQSZACIVSA-N 301.839 3.047 10 10 DGCE N[C@H](CSc1nccs1)c1cnn(Cc2ccccc2)c1 1903544966 UYVXYMKKNJDBAZ-CQSZACIVSA-N 316.455 3.180 10 10 DGCE [N-]=[N+]=NC1CN(C(=O)c2ccc(Br)c(Cl)c2)C1 1912200979 OBNXTIGELVNBKB-UHFFFAOYSA-N 315.558 3.237 10 10 DGCE CC(C)(C)OC(=O)Nc1cccc([C@H](N)c2ccccc2O)n1 1936986206 FNWLANNTRCILCD-OAHLLOKOSA-N 315.373 3.182 10 10 DGCE C[C@H](N)c1ccc(N2CC[C@@](C)(F)C2)cc1Br 1946948077 ICNIQDCYMFWIRF-TVQRCGJNSA-N 301.203 3.407 10 10 DGCE CC(C)(C)OC(=O)N[C@@](C)(Cc1ccc(N)cc1)C(F)F 1953011109 WPQHKCRXBAEEGX-HNNXBMFYSA-N 300.349 3.360 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1C[C@H](C[C@@H](N)c2ccccc2O)C1 1961037055 MSHVXTDYSYOYDO-YRGRVCCFSA-N 306.406 3.085 10 10 DGCE CC(C)N(CCN=[N+]=[N-])C[C@H]1CCCN1C(=O)OC(C)(C)C 1962299116 KOFUFAZMFQSIHC-CYBMUJFWSA-N 311.430 3.407 10 10 DGCE C[C@]1(CNCc2ccc(Br)cc2O)CCCOC1 1962987657 MQCDQRSCHRXFET-CQSZACIVSA-N 314.223 3.061 10 10 DGCE CC1(C)CCN(Cc2cccc(Br)c2O)CCO1 1967841415 GATLAUXJYZCNLZ-UHFFFAOYSA-N 314.223 3.156 10 10 DGCE Cc1cc(Br)cc(CN2CCC[C@H]2CF)c1O 1970259953 ULFCKROCNSSACY-LBPRGKRZSA-N 302.187 3.397 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H](Nc3c(N)cccc3F)[C@@H]21 1977677496 CLTWGHKSNGCZMY-WDBKCZKBSA-N 321.396 3.218 10 10 DGCE CC[C@H]1CN(c2ccc(N)cc2)CC[C@@H]1NC(=O)OC(C)(C)C 1977965427 IFRUWZUXBJZAAE-BBRMVZONSA-N 319.449 3.398 10 10 DGCE CN[C@@H](c1ccccc1O)[C@]1(NC(=O)OC(C)(C)C)CC1(C)C 1979223559 VLTICVUYQDUWOQ-KBXCAEBGSA-N 320.433 3.346 10 10 DGCE C[C@@H](COCc1ccccc1)CN1CCc2cc(CN)ccc21 1988539313 GSSSWQNHIGTXDN-MRXNPFEDSA-N 310.441 3.361 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H](C2(Oc3ccc(N)cc3)CC2)C1 1992513852 LTUIUXZALAGNHR-CYBMUJFWSA-N 318.417 3.437 10 10 DGCE CN(CC1[C@H]2CC[C@H]12)c1ccc(CN)c(Br)c1F 2041988370 YHYKBBPEBZVQRW-UWVGGRQHSA-N 313.214 3.139 10 10 DGCE O=C1C(=Cc2ccc(F)cc2)SC(=S)N1C[C@@H]1CCCO1 2053493326 PDOGOEDPPLYLKG-LBPRGKRZSA-N 323.414 3.206 10 10 DGCE Cc1cccc(O)c1Cn1nc(-c2ccccc2)cc1C(=O)O 2069906222 VOUHIRKPSPFBPS-UHFFFAOYSA-N 308.337 3.311 10 10 DGCE CNC(=O)c1cc(C2CC2)nn1[C@H](C)c1cc(C)c(C)cc1O 2070038260 BVSJYPIEWODXAK-GFCCVEGCSA-N 313.401 3.052 10 10 DGCE CC[C@H](c1ccc(OC)cc1O)n1nc(C)c(C(=O)O)c1Cl 2079972638 XTFRHQFECITXNZ-LLVKDONJSA-N 324.764 3.257 10 10 DGCE Cc1cc(O)c([C@@H](C)n2nc(C3CCC3)c(C=O)c2N)cc1C 2079987493 XESZFWHRIXAEMP-GFCCVEGCSA-N 313.401 3.477 10 10 DGCE CN1CCc2cc([C@@H](N)[C@H](O)c3cscc3Cl)ccc21 2163135493 KDQDSPVJQOJZLC-HUUCEWRRSA-N 308.834 3.127 10 10 DGCE C[C@@H](N)c1ccc(N2CCS[C@@H]3COCC[C@H]32)cc1Cl 2170485888 HBAHKDDKIYQFNT-VCTAVGKDSA-N 312.866 3.070 10 10 DGCE C[C@H](O)c1ccc(N2CCS[C@H]3COCC[C@H]32)c(Cl)c1 2170501668 COVFWUQSTJXUJE-VQISRLSMSA-N 313.850 3.104 10 10 DGCE COC(=O)c1cc(CNCc2cnc(SC)s2)cs1 2208619516 JEKGGWQKQWDPQE-UHFFFAOYSA-N 314.457 3.003 10 10 DGCE [N-]=[N+]=NC[C@H]1CCN(C(=O)c2c(F)ccc(Cl)c2F)C1 2234928914 QIYKRYJVFWMOCK-SSDOTTSWSA-N 300.696 3.391 10 10 DGCE C[C@@H]1CN(c2cc(Cl)c(CN)cc2F)[C@H](C)C(C)(C)O1 2287887811 NQUVRENKEAVCKA-NXEZZACHSA-N 300.805 3.330 10 10 DGCE CN(C1=NC(=O)C(=Cc2ccccc2)S1)c1ccc(O)cc1 2297461820 CVJQOOGDQQQDIE-UHFFFAOYSA-N 310.378 3.499 10 10 DGCE CC1=NNC(=O)C1=Cc1ccc2noc(-c3ccccc3)c2c1 2314490040 XJKIXIAJCRLAPY-UHFFFAOYSA-N 303.321 3.384 10 10 DGCE Cc1ccc(CN(C)[C@@H](C)CCCN)c(O)c1Br 2327602162 FPPOPVDDIIPBKA-NSHDSACASA-N 315.255 3.022 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CC[C@H]2CCCN[C@H]2C1 2361350550 RFLLBLGERDHKJN-YGRLFVJLSA-N 315.244 3.273 10 10 DGCE CN(C)c1ccc(/C=C2\C(=O)N(C)c3ccccc32)cc1[N+](=O)[O-] 6637124 JRJVWCTXVIACFS-UVTDQMKNSA-N 323.352 3.178 10 10 DGCE NC(=O)c1cc(NCc2cc(Cl)ccc2O)ccc1Cl 37046147 CSPPIKHWKHEUMU-UHFFFAOYSA-N 311.168 3.410 10 10 DGCE COc1ccc(NC(=O)N(C)Cc2ccccc2O)cc1C 56751123 CFBGVJDPKZHDCX-UHFFFAOYSA-N 300.358 3.373 10 10 DGCE O=S(=O)(Nc1ccc(O)cc1Cl)c1cc(F)ccc1F 70334300 OGMHVXRLIVKQAQ-UHFFFAOYSA-N 319.716 3.125 10 10 DGCE COC(=O)Cc1nc2cc(C)ccn2c1/N=N\c1cccc(O)c1 71583231 CGVSNYLHHIOEDO-VXPUYCOJSA-N 324.340 3.479 10 10 DGCE CC(C)C[C@H](CN(C)C)N[C@H](C)c1ccc(F)c(F)c1O 187698290 AQIHABBHMZVOLS-VXGBXAGGSA-N 300.393 3.297 10 10 DGCE Cc1ccc(/C=C\CC(=O)NCCc2ccc(O)c(O)c2)cc1 255320111 XLUOXLHTBRNGOP-IHWYPQMZSA-N 311.381 3.168 10 10 DGCE C[C@@H](NCCCN(C)Cc1ccccc1)c1c(O)cccc1O 303994223 DBWHKUAKPDRVQT-OAHLLOKOSA-N 314.429 3.271 10 10 DGCE CC[C@H](CSC)N(C)c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-] 316966385 FJAISQMQOURRBI-XYLWRLHESA-N 324.402 3.270 10 10 DGCE C[C@H](COCc1ccccc1)NCc1ccc2c(c1)CCN2C 390591715 QAVAAYNDIDRVOP-MRXNPFEDSA-N 310.441 3.374 10 10 DGCE CC[C@@H](C)[C@@H](NC(=O)c1ccccc1C(=O)N=N)/C(O)=C/N=N 575116337 UIKXJFWUZGAGQF-FVZBAEAFSA-N 317.349 3.433 10 10 DGCE CNCc1ccc(N2CCC(F)CC2)cc1Br 689388912 QPYXALZSIRFVPD-UHFFFAOYSA-N 301.203 3.107 10 10 DGCE C[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C)c1ccccc1O 700744070 KLKSSYIJQPRCBZ-KCQAQPDRSA-N 320.433 3.441 10 10 DGCE [N-]=[N+]=NCCN1C[C@H]2CC[C@H]1[C@H]1CN(Cc3ccccc3)C[C@@H]21 707742087 ZYAAAYSKCNWGFA-OWSLCNJRSA-N 311.433 3.139 10 10 DGCE COc1cc(Cl)cc(CN(C[C@H](C)OC)C(C)C)c1O 708277950 JINDQVTXWQURSU-NSHDSACASA-N 301.814 3.300 10 10 DGCE CCNCc1ccc(N2C[C@@H]3CC[C@H]3C2)c(Br)c1 711242058 MWIPOMDJYCSTDP-STQMWFEESA-N 309.251 3.405 10 10 DGCE CN[C@@H]1CCN(Cc2ccccc2)[C@]1(C)c1ccc(N(C)C)cc1 712092924 VTZLIWLJFCQDJZ-NHCUHLMSSA-N 323.484 3.462 10 10 DGCE COc1cc(Cl)cc(CN2CCC[C@H]3COCC[C@H]32)c1O 761203202 KWYNMPPILHLFIQ-SMDDNHRTSA-N 311.809 3.055 10 10 DGCE COC(=O)N1CCC[C@H]([C@H](C)N[C@H](C)c2cc(C)ccc2O)C1 775580878 MZWOIHPGDKBKAJ-ZNMIVQPWSA-N 320.433 3.218 10 10 DGCE COc1ccc(NCc2cc(Br)cc(C)c2O)nc1 776250219 FBAIEYTUJQHZCR-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE Cc1ccc2c(CCNC(=O)c3cc(O)cs3)cn(C)c2c1 782073049 OXUYZYCBXDXCDZ-UHFFFAOYSA-N 314.410 3.226 10 10 DGCE CCOc1ccc(CN2C[C@@H](C)O[C@@](C)(C(F)F)C2)c(O)c1 827962067 FKKHQPLMAKTEEG-BDJLRTHQSA-N 315.360 3.035 10 10 DGCE COc1ccc(CN(C)C/C=C\c2ccc(N(C)C)cc2)cn1 835048763 XYACAHWXAIRBKO-WAYWQWQTSA-N 311.429 3.301 10 10 DGCE COc1ccnc(CNC(=S)Nc2cc(C)ccc2C)c1F 849297241 PEPHZRPUXHJALS-UHFFFAOYSA-N 319.405 3.333 10 10 DGCE COC[C@H](CCN[C@@H](C)c1cccc(C(F)(F)F)c1O)OC 850485684 MNCKLVRUPSKNPN-QWRGUYRKSA-N 321.339 3.113 10 10 DGCE CC[C@@H](NCC1(CC(N)=O)CCCCC1)c1ccc(F)cc1O 850573454 MBFXGLVOPNMGTQ-OAHLLOKOSA-N 322.424 3.398 10 10 DGCE Cc1cc(C)c(O)c(CN2C[C@]34CCCC[C@]3(COC4)C2)c1 853623123 DXZLSMAODBURPT-KDURUIRLSA-N 301.430 3.402 10 10 DGCE C/C=C(/C=C\C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)CC 855233842 NYLYEJYFNDCIGC-BUQOVARCSA-N 314.429 3.303 10 10 DGCE CCOc1ccc(O)c(CN[C@H]2COc3cccc(C)c3C2)c1 858216445 ZWDUQTGTMHMEEO-OAHLLOKOSA-N 313.397 3.193 10 10 DGCE COc1ccc(N(CCOC2CCOCC2)C(C)C)cc1F 859185299 MBSKQYJRGURCAF-UHFFFAOYSA-N 311.397 3.245 10 10 DGCE COc1cccc([C@H](C)NC[C@H]2c3ccccc3CN2C)c1O 866561900 AYTSOBBOVGTRFV-GUYCJALGSA-N 312.413 3.238 10 10 DGCE CCOc1ccccc1CNC(=O)N[C@@H](C)c1ccccc1O 868129356 XCXVQFWCZPQXCX-ZDUSSCGKSA-N 314.385 3.351 10 10 DGCE Cc1cc(Cl)cc(CN2CCO[C@H](C(F)F)CC2)c1O 872257492 RWFGFTOCBAZYPF-LBPRGKRZSA-N 305.752 3.210 10 10 DGCE CN(C)c1ccc(CN(Cc2ccco2)C(=O)CCF)cc1 900129846 OJSPPSNIUQYHOU-UHFFFAOYSA-N 304.365 3.234 10 10 DGCE CCOc1ccc(CCC(=O)NCc2c(O)cccc2F)cc1 928711130 DVOBRPWEUQHOEE-UHFFFAOYSA-N 317.360 3.179 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2ccnc(-c3ccco3)c2)c1 1147962490 VRTKHZAKUFKOGF-UHFFFAOYSA-N 308.337 3.286 10 10 DGCE CC(C)(C(=O)NCc1cc(Cl)ccc1O)c1cccc(O)c1 1165508858 WWKZKFDCBVQKBT-UHFFFAOYSA-N 319.788 3.345 10 10 DGCE Cc1ccc(CN[C@@H]2CN(Cc3ccccc3)C[C@H]2C)c(O)c1 1308667842 GGWIADCZUXLCLO-VQIMIIECSA-N 310.441 3.311 10 10 DGCE COc1ncc(/C=C\C(=O)N2CCCc3ccc(C)c(C)c32)cn1 1436809647 CDLSFIZRKRXJJE-CLFYSBASSA-N 323.396 3.095 10 10 DGCE C[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)c1ccccn1 1448234030 COZOOFNTFJCHQY-SECBINFHSA-N 314.366 3.199 10 10 DGCE CCN(C(=O)/C(C)=C\c1cccnc1)c1ccccc1C(=O)OC 1456255450 WHFJDZNXVYJCEU-OWBHPGMISA-N 324.380 3.325 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)CCc1ccccn1 1463813605 MYFSHMXCSSKRJK-UHFFFAOYSA-N 323.440 3.273 10 10 DGCE O=C(CSc1ncc(Cl)s1)c1ccc(O)cc1O 1641310973 BSQYAOXPRSLAQF-UHFFFAOYSA-N 301.776 3.183 10 10 DGCE Cc1ccc(O)c(CNC(=O)NCc2ccc3occc3c2)c1 1649421189 CARRGDAILDTZGW-UHFFFAOYSA-N 310.353 3.446 10 10 DGCE CCc1ccccc1OCCC(=O)NCc1c(O)cccc1F 1652297938 CERMMCYONXRHQO-UHFFFAOYSA-N 317.360 3.179 10 10 DGCE COC(=O)/C=C\c1ccc(N(C)[C@@H](C)C2(C)CC2)c([N+](=O)[O-])c1 1655223613 GVVYHJXWBNBIOF-VFFGBVLKSA-N 318.373 3.406 10 10 DGCE COc1ccc(CN[C@@H](C)[C@@H](C)NC(=O)C=C2CCC2)cc1C 1733970274 OZYBCNGKVFXARS-LSDHHAIUSA-N 316.445 3.097 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)/C=C\c1ccncn1 1773069332 KKZISRQTGYWHLN-HJWRWDBZSA-N 311.385 3.024 10 10 DGCE Cc1ccc(/C=C2/SC(=S)N(CCCN(C)C)C2=O)cc1 1858589196 KKLAVFMHUIWFSE-SDNWHVSQSA-N 320.483 3.148 10 10 DGCE O=C(O)C1CCN(/N=N/c2ccc(OC(F)(F)F)cc2)CC1 1860487860 RBSFKMXLFXQYSU-ISLYRVAYSA-N 317.267 3.381 10 10 DGCE CC(C)CN1N=C(c2ccccc2)/C(=C/c2cccnc2)C1=O 1865672955 PFEJNXVBJAYNEQ-BOPFTXTBSA-N 305.381 3.368 10 10 DGCE CN[C@H](C[C@@H]1C[C@H]1CNC(=O)OC(C)(C)C)c1ccccc1O 1899729127 QAJKFJZIPBEVMD-KCQAQPDRSA-N 320.433 3.204 10 10 DGCE C[C@H]1CCO[C@H]1CCNCc1c(O)cccc1Br 1918146976 VCARSAYGMFQHFS-HZMBPMFUSA-N 314.223 3.059 10 10 DGCE CC[C@]1([C@H](N)c2ccccc2O)CCN(C(=O)OC(C)(C)C)C1 1936970335 KZZIDXCWWXVPRG-QAPCUYQASA-N 320.433 3.429 10 10 DGCE CC[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1[C@@H](N)c1ccccc1O 1938454881 AASZQBOWKKJRIC-UHOFOFEASA-N 320.433 3.428 10 10 DGCE CN(Cc1ccc(N)cc1)Cc1nc(Br)cs1 1950112916 DPSNXKHJFXLLME-UHFFFAOYSA-N 312.236 3.120 10 10 DGCE CC(C)(C)OC(=O)N1CC(=O)C[C@@H]1c1cc(Cl)ccc1O 1951966239 FSSPIPLPFRDAAP-GFCCVEGCSA-N 311.765 3.297 10 10 DGCE CN(C)c1ccc([C@H]2[C@H](N)CCCN2C(=O)OC(C)(C)C)cc1 1952570745 GLZIREVCHSVHGF-CVEARBPZSA-N 319.449 3.152 10 10 DGCE CC(C)(C)OC(=O)NCCC(F)(F)Cc1ccc(N)cc1 1953012421 ZQRLWGSNLSNNOW-UHFFFAOYSA-N 300.349 3.361 10 10 DGCE Oc1cccc(F)c1CN[C@@H]1CC[C@@H]1OCc1ccccc1 1958778079 AAJXLZVGBFZDGV-AEFFLSMTSA-N 301.361 3.369 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H]1CC[C@@H](N)c1ccccc1O 1960442256 DLHVQDKYXNEZDG-TZMCWYRMSA-N 306.406 3.182 10 10 DGCE C[C@@H](NCC1(C)CN(C(=O)OC(C)(C)C)C1)c1ccccc1O 1970949521 KWVWTFFAMGFTRT-CYBMUJFWSA-N 320.433 3.300 10 10 DGCE CCN1CCc2cc([C@H](O)[C@@H](C)NC(=O)OC(C)(C)C)ccc21 1977939289 PAIBNFGJGXARDE-MLGOLLRUSA-N 320.433 3.016 10 10 DGCE CN(C)c1ccc([C@H](N)[C@H](NC(=O)OC(C)(C)C)C2CC2)cc1 1977944648 ITSQNTJUEFZEGV-JKSUJKDBSA-N 319.449 3.056 10 10 DGCE CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1COc1ccc(N)cc1 1992433427 QPRKAMWLQAARET-AWEZNQCLSA-N 318.417 3.437 10 10 DGCE CSCC1CN(c2ccc([C@@H](C)O)c(Br)c2)C1 1998203629 IRENZUCIBSNEAA-SECBINFHSA-N 316.264 3.302 10 10 DGCE Cc1nc(Br)sc1CN1CCC[C@H](N=[N+]=[N-])C1 2011870303 NHYRDSGZTWINLJ-QMMMGPOBSA-N 316.228 3.489 10 10 DGCE CNCc1ccc(N2CC3CC2(CF)C3)c(Br)c1 2030297452 SSOPKJPURZHKLK-UHFFFAOYSA-N 313.214 3.107 10 10 DGCE Cc1cnn(C)c1[C@@H](C)NCc1c(O)cccc1Br 2094113563 LHORBCOWESHHKC-SNVBAGLBSA-N 324.222 3.047 10 10 DGCE CC[C@@H](NCc1ccnnc1)c1cc(Br)ccc1O 2095526636 NLBCSILOTAJWRX-CYBMUJFWSA-N 322.206 3.186 10 10 DGCE Cc1nc([C@@H](N)c2ccc(N(C)C)cc2)ccc1Br 2100782359 VLOGCJHLJLALSN-HNNXBMFYSA-N 320.234 3.267 10 10 DGCE CN(Cc1cnsn1)c1ccc(CNC2CC2)c(Cl)c1 2167118408 MQXRDDYMESPTIP-UHFFFAOYSA-N 308.838 3.080 10 10 DGCE C[C@H](N[C@H]1CS[C@@H](C(F)(F)F)C1)c1ccc(O)cc1O 2189219535 BQKCJPQYNBLFTM-JOAULVNJSA-N 307.337 3.185 10 10 DGCE CSc1ncc(CNCc2nn(C)c3ccccc23)s1 2208497938 HKLSIIVULXYYCH-UHFFFAOYSA-N 304.444 3.042 10 10 DGCE CC(C)(C)OC(=O)N1CCCC[C@@](N)(c2ccccc2O)CC1 2244869908 WSKCVVNLGQOPTC-SFHVURJKSA-N 320.433 3.357 10 10 DGCE Oc1c(Br)cccc1CN[C@@H]1CC2C[C@@H]3C1[C@@H]3C2 2253519321 ICBFWHSETIAFHI-UGJNXDJXSA-N 308.219 3.289 10 10 DGCE CCN1C(=C2SC(=S)N(C)C2=O)C=Cc2ccccc21 2294737408 RYQNYAUXQNLOHI-UHFFFAOYSA-N 302.424 3.241 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)NCc1ccccc1Cl 2307978286 DGCVVEANWXEHBI-UHFFFAOYSA-N 303.745 3.081 10 10 DGCE CCCOc1ccc(C=C2SC(=S)N(C)C2=O)cc1OC 2314717582 CTQMQVZQTJEPEL-UHFFFAOYSA-N 323.439 3.315 10 10 DGCE Cc1ccc(CNC(=O)[C@@H]2CC2(C)C)c(O)c1Br 2327585498 GXHFCRBCVDVIEP-JTQLQIEISA-N 312.207 3.125 10 10 DGCE Cc1ccc(N2NC(=O)/C(=C/C=C/c3ccccc3)C2=O)cc1 33586341 WSTIWTNEALTGTP-WIXUPIFPSA-N 304.349 3.013 10 10 DGCE Nc1ccc(OCCNc2ccc([N+](=O)[O-])cc2Cl)cc1 63130657 ZNDBABVHEFRLFC-UHFFFAOYSA-N 307.737 3.321 10 10 DGCE COc1ccccc1CCN(C)Cc1cc(C)cc(OC)c1O 164297639 DLMMTQWICMZGTQ-UHFFFAOYSA-N 315.413 3.392 10 10 DGCE O=C(O)CC1CCN(c2ccc(OC(F)(F)F)cc2)CC1 198564801 CQUOXVLDVUJVRQ-UHFFFAOYSA-N 303.280 3.276 10 10 DGCE COCCN(c1ccc([C@H](C)N)c(Br)c1)C1CC1 234661706 PUBOIZNMCMZEON-JTQLQIEISA-N 313.239 3.084 10 10 DGCE C[C@@H](N)c1ccc(N2CC[S@@](=O)C(C)(C)CC2)c(Cl)c1 321614976 HJOWDORGGGJUPS-BIBXISHDSA-N 314.882 3.097 10 10 DGCE COc1ccc(O)c([C@@H](C)NC2CC(N3CCCCC3)C2)c1 373523659 PXWMENRJTSONRR-WLYUNCDWSA-N 304.434 3.068 10 10 DGCE C[C@@H]1CCC[C@@H](CNCc2ccc(Br)cc2O)O1 691464843 GPMVQYGLVHUGOT-MFKMUULPSA-N 314.223 3.202 10 10 DGCE COC(C)(CCNCc1cc(Cl)cc(Cl)c1O)OC 710899206 LPURGDXMGYADIC-UHFFFAOYSA-N 308.205 3.188 10 10 DGCE C[C@H](N)c1ccc(N2CCS[C@@H](C(F)(F)F)C2)c(F)c1 721389588 NFXLHRBUNCNSCA-QPUJVOFHSA-N 308.344 3.330 10 10 DGCE COc1cc(C)cc(CN2CC[C@@H](CC(F)(F)F)C2)c1O 766116893 JAXFMSZDIXBPDO-NSHDSACASA-N 303.324 3.484 10 10 DGCE CC[C@H](NCC[C@@H](C)[S@](C)=O)c1cc(Cl)ccc1O 775522759 ZPKNZYJVECBROV-KRDDEPHXSA-N 303.855 3.243 10 10 DGCE O=C(/C=C\c1cncc(O)c1)N1CCCSc2ccccc21 779653691 UIOJDSYJWPXQQV-SREVYHEPSA-N 312.394 3.329 10 10 DGCE C[C@H](NC(=O)c1csc(Cl)n1)c1ccc(N(C)C)cc1 781993145 BCGMCRDXMSNXTD-VIFPVBQESA-N 309.822 3.354 10 10 DGCE COc1cc(CN2CCCC[C@H]2c2ccnn2C)c(O)cc1C 799149944 UUBCSPSKDYDRLI-INIZCTEOSA-N 315.417 3.170 10 10 DGCE C[C@H](NC(=O)CC[C@@H]1CCCCN1C)c1ccc(N(C)C)cc1 807274344 OIUZLYVYKQEVPK-YJBOKZPZSA-N 317.477 3.194 10 10 DGCE Cc1cc(Cl)cc(CNC[C@H](O)Cc2ccccc2)c1O 809722547 BJYXCAGPBIZIRD-MRXNPFEDSA-N 305.805 3.047 10 10 DGCE CN(C)c1ccc(CN(Cc2nn(C)cc2Cl)C2CC2)cc1 817274633 OWFYXIWGQIWMJD-UHFFFAOYSA-N 318.852 3.304 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CC[C@H](O)CC23CCC3)c1O 817289798 DIHAGEOMMOEOJM-AWEZNQCLSA-N 323.820 3.128 10 10 DGCE Oc1c(Cl)cccc1CN1C[C@]23CCCC[C@]2(COC3)C1 827849363 FKCFAQSSGGIUOV-CALCHBBNSA-N 307.821 3.438 10 10 DGCE C[C@H](CC(=O)NCc1c(O)ccc2c1CCCC2)[C@H]1CCCO1 830559324 MWMIVCLLSDTZGC-FZKQIMNGSA-N 317.429 3.092 10 10 DGCE Cc1cc(C)n(CCCNC/C=C/c2ccc(N(C)C)cc2)n1 835033038 NUWCRILCYWYMFF-FNORWQNLSA-N 312.461 3.259 10 10 DGCE C[C@H](NC/C=C/c1ccc(N(C)C)cc1)[C@@H](O)Cc1ccccc1 835040762 GWDVLUPFXYYQRS-DWRXGZBISA-N 324.468 3.348 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@](C)(F)C1 838478924 NVAYDAIOIIZQEZ-KRWDZBQOSA-N 307.413 3.095 10 10 DGCE COc1ccc(CNC[C@@H]2CN(C)C[C@H]2c2ccccc2)cc1C 842766360 RLQQWHLVJDMDMC-UXHICEINSA-N 324.468 3.439 10 10 DGCE Cc1cc(O)c(CN2CCC([C@H]3CCNC3)CC2)c(Cl)c1 843126294 HXNGMWCTOOXXBI-AWEZNQCLSA-N 308.853 3.176 10 10 DGCE CC(C)[C@@H](NCc1cccc(Cl)c1O)C1(CO)CC=CC1 843433254 VABWHSJKDIXQMT-MRXNPFEDSA-N 309.837 3.489 10 10 DGCE COc1ccc(CNC2(C(=O)O)CCC(F)(F)CC2)cc1C 849232404 YHRNUUHCGKHMCN-UHFFFAOYSA-N 313.344 3.126 10 10 DGCE CCO[C@@H](C(=O)NCc1ccc(N(CC)CC)cc1)C(C)C 858605405 SREVDAGUKFCTKA-QGZVFWFLSA-N 306.450 3.210 10 10 DGCE Oc1cc(F)c(Cl)cc1CNC[C@@H]1Cc2ccccc2CO1 862435677 GYMSKBAVIJZPML-AWEZNQCLSA-N 321.779 3.416 10 10 DGCE COC[C@]1(C)CN(Cc2cc(C)cc(C(C)(C)C)c2O)CCO1 863339331 BPIIQIOPTFCWNE-IBGZPJMESA-N 321.461 3.235 10 10 DGCE C[C@H](N[C@@H](C)[C@@H](O)C(F)(F)F)c1cc2c(cc1O)CCCC2 866463014 GKOPXZNQQBBSNR-AMJWSMQMSA-N 317.351 3.233 10 10 DGCE C[C@@H](NC(=O)NCC[C@H]1CCSC1)c1ccc(N(C)C)cc1 868515953 XRFBOJOGRYYZCK-KGLIPLIRSA-N 321.490 3.256 10 10 DGCE O=C(CCCOc1ccccc1F)N1Cc2cccc(O)c2C1 871201190 RNTMSGBAVJTPJH-UHFFFAOYSA-N 315.344 3.233 10 10 DGCE CC(C)(C)c1ncc(C(=O)N2Cc3cccc(O)c3C2)s1 871201648 XSPCGSXBCXUHDJ-UHFFFAOYSA-N 302.399 3.302 10 10 DGCE Cc1cc(CO)cc(C)c1CNCc1ccc2c(c1)CCCO2 922562950 YBYBJDJRGOFRIT-UHFFFAOYSA-N 311.425 3.411 10 10 DGCE Cc1nsc(C)c1C(=O)Nc1c(Cl)ccc2nonc12 1128603790 NHWSNPSYPFJQER-UHFFFAOYSA-N 308.750 3.202 10 10 DGCE Cc1nnc(-c2ccccc2C(=O)N[C@@H](C)c2ccccc2O)o1 1151892625 UJMGBFARLWNQSG-NSHDSACASA-N 323.352 3.242 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1C[C@H]1Cc1ccccc1 1264009198 LPLREGPENZHPDH-KVPVBUAESA-N 323.392 3.106 10 10 DGCE CCCC(=O)NC[C@H](NCc1ccc(OC)c(C)c1)C(C)C 1268207985 YYMFGPQBEXTOBA-INIZCTEOSA-N 306.450 3.034 10 10 DGCE CCC[C@@H](C)C(=O)N(C)C[C@@H](C)NCc1ccc(OC)c(C)c1 1277770879 JJSDCDXYFOMJIW-GDBMZVCRSA-N 320.477 3.376 10 10 DGCE CN(C(=O)c1cc(O)cs1)c1ccc(Br)cc1 1303930730 XHJCCCADSRWPFZ-UHFFFAOYSA-N 312.188 3.493 10 10 DGCE CCN1C[C@H](CN(CCC(C)C)c2ccc(OC)cc2)OC1=O 1307740500 QFUDKHBZJBYICK-QGZVFWFLSA-N 320.433 3.388 10 10 DGCE CCn1nc(C)c(CN(c2ccc(OC)cc2)[C@H](C)C2CC2)n1 1324720037 HORVZTWTJLKXPP-CQSZACIVSA-N 314.433 3.420 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)c1cccnc1C(F)F 1469877940 ZIIPQGIGBZMYKL-UHFFFAOYSA-N 312.703 3.308 10 10 DGCE CC/C=C(\C)C(=O)NC[C@H](C)CNCc1ccc(OC)c(C)c1 1482081273 BQEWIEAFYBGVSV-LSRDKYIXSA-N 318.461 3.202 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@@H](O)C(C)(C)CC)cc1F 1565687949 DGHYBTNSOFBVEF-MRXNPFEDSA-N 324.440 3.085 10 10 DGCE Cc1ncsc1/C=C/C(=O)N1CCOc2cc(F)c(F)cc21 1586429754 PDAHWXDSOYTXPN-NSCUHMNNSA-N 322.336 3.169 10 10 DGCE CN(Cc1cccs1)C(=O)c1ccc(N=NC(N)=O)cc1 1588177091 NPWRTVNBWXQNES-UHFFFAOYSA-N 302.359 3.183 10 10 DGCE Cc1nc2ccc(C(=O)N[C@H](C)c3ccccc3O)cc2nc1C 1642824044 CUPUPJLKPBGDTH-CYBMUJFWSA-N 321.380 3.443 10 10 DGCE C[C@@]1(C2CCCCC2)CCN1C(=O)Cc1ccc(O)c(O)c1 1643357588 IDCPAVKKMMPLCG-SFHVURJKSA-N 303.402 3.212 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1cc2cnccc2[nH]1 1645443259 KFMWRHBZAYGKNV-UHFFFAOYSA-N 317.348 3.352 10 10 DGCE Cc1ncccc1/C=C\C(=O)NCc1cccc(Cl)c1O 1648605914 DTDQKMJYGZKISV-FPLPWBNLSA-N 302.761 3.079 10 10 DGCE CCN(CCCNC(=O)OC(C)(C)C)c1ccc(OC)cc1 1653660941 ARMKFZVWYWRXOH-UHFFFAOYSA-N 308.422 3.436 10 10 DGCE CCCCCC(=O)N[C@H]1C[C@@H](NCc2ccc(OC)c(C)c2)C1 1661565525 GHQAXOZDHKLHIU-CALCHBBNSA-N 318.461 3.321 10 10 DGCE CCCN(C)c1nnc(C)n1CCCSc1nccs1 1764227806 DYPDCZSDLUYOHH-UHFFFAOYSA-N 311.480 3.072 10 10 DGCE CCOc1ccc(/N=N/N2CCN(c3ccccn3)CC2)cc1 1860482439 IHGFKJVCEHGKQA-FMQUCBEESA-N 311.389 3.301 10 10 DGCE CC(=O)NCCN=NNc1ccc(Cl)c(C(F)(F)F)c1 1860489742 BEUYGVBUBIACGY-UHFFFAOYSA-N 308.691 3.274 10 10 DGCE COC1(C(F)(F)F)CC(NCc2ccc(Cl)cc2O)C1 1875684184 KEVLEINBNCWRCF-UHFFFAOYSA-N 309.715 3.245 10 10 DGCE CC[C@@H](N[C@H]1C[C@@H]1COC)c1cc(Br)ccc1O 1875843488 QUWTZFTUTPNAOF-WQAKAFBOSA-N 314.223 3.230 10 10 DGCE CNCc1ccc(N(Cc2ccccc2)[C@@H](CO)C2CC2)cc1 1915216662 JOBXQQKQGPUBMW-FQEVSTJZSA-N 310.441 3.184 10 10 DGCE NCc1ccc(N2CC[C@H](CC(F)F)C2)c(Br)c1 1916713841 JBGQCIMGTVZSRU-SNVBAGLBSA-N 319.193 3.389 10 10 DGCE Oc1c(F)cccc1CNc1csnc1Br 1925112502 QFVAQJHFUHTFMN-UHFFFAOYSA-N 303.156 3.362 10 10 DGCE CCC[C@H]1CCN1c1ccc(CN)c(Br)c1F 1941303613 IZOKIBNMYCAONY-JTQLQIEISA-N 301.203 3.426 10 10 DGCE CN1C(=O)[C@H](N)c2ccc(N(Cc3ccccc3)CC3CC3)cc21 1946900762 VKMUWEREWWHGCC-LJQANCHMSA-N 321.424 3.079 10 10 DGCE Oc1cccc(F)c1CN[C@H]1CC[C@@H]1OCc1ccccc1 1958778082 AAJXLZVGBFZDGV-WMZOPIPTSA-N 301.361 3.369 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(N)cc2)[C@@H](F)C1 1959367440 OHVXMDNFHSTFLE-KBPBESRZSA-N 309.385 3.028 10 10 DGCE C[C@@H]1C[C@H](NCc2ccc(F)cc2O)CN1C(=O)OC(C)(C)C 1963142311 DWTACFYWUJODNX-RISCZKNCSA-N 324.396 3.019 10 10 DGCE CN[C@H](c1ccccc1O)[C@@H]1[C@@H](NC(=O)OC(C)(C)C)C1(C)C 1976938767 BGIJOQOCFGLSOI-RBSFLKMASA-N 320.433 3.202 10 10 DGCE CCNCc1ccc(N2CC(OCc3ccccc3)C2)c(F)c1 1977136364 PPYPSFQVSBFTBV-UHFFFAOYSA-N 314.404 3.341 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@H](F)C[C@H]2C)c(Br)c1 1997694635 XBHDZSRVFCWGCT-FXPVBKGRSA-N 301.203 3.406 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN(C[C@@]2(Br)CC2(F)F)C1 2023773971 IHQVZQUTRJOBHZ-IUCAKERBSA-N 309.158 3.181 10 10 DGCE CC(C)c1cc(CN)n(Cc2cc(C(F)(F)F)ccc2O)n1 2070051173 ZNQCWHHHFLMDTE-UHFFFAOYSA-N 313.323 3.238 10 10 DGCE CCCN(Cc1c(Br)cnn1C)c1ccc(N)cc1 2087325876 VVDVACACCAWXHN-UHFFFAOYSA-N 323.238 3.181 10 10 DGCE CCN[C@@H](c1ccccc1O)c1nn(C)c(Cl)c1Cl 2094348244 GXNKTUPWIXGUBO-NSHDSACASA-N 300.189 3.131 10 10 DGCE OCCCC1(NCc2cc(Cl)cc(Cl)c2O)CCC1 2140855904 GPOHTVQHDNBCNS-UHFFFAOYSA-N 304.217 3.484 10 10 DGCE CCN[C@@H](C)c1ccc(N2CCOC(F)(F)C2)c(Cl)c1 2152295254 VHPYMEITJLXNSP-JTQLQIEISA-N 304.768 3.440 10 10 DGCE CO[C@H]1CN(c2ccc([C@H](C)N)cc2Cl)CC(F)(F)C1 2185153262 CWIFHAWRAYPQJG-GXSJLCMTSA-N 304.768 3.220 10 10 DGCE C[C@@H](N)c1cc(F)c(N2CCSCC(F)(F)C2)c(F)c1 2194692894 WVZIKHCWJFNFGZ-MRVPVSSYSA-N 308.344 3.173 10 10 DGCE CN[C@H](C)c1ccc(N2CC[C@H](OC(F)F)C2)c(Cl)c1 2239199261 YRQNCOMIPIBBTJ-KOLCDFICSA-N 304.768 3.438 10 10 DGCE COCC1(C)CC(NCc2cccc(Br)c2O)C1 2260994768 SYDLHYNABRDZRQ-UHFFFAOYSA-N 314.223 3.059 10 10 DGCE NCc1ccc(N2CC(F)(F)C3(CC3)C2)c(Br)c1 2263149852 NPVJDLZADQROHQ-UHFFFAOYSA-N 317.177 3.143 10 10 DGCE CCOC(=O)[C@H]1CCC[C@H](NCc2cnc(SC)s2)C1 2284689535 OCLQPUDNMZGRJV-QWRGUYRKSA-N 314.476 3.077 10 10 DGCE C[C@H]1Oc2ccccc2C=C1C=C1SC(=S)N(C)C1=O 2296702663 DRBKZYNZUMJFLP-SECBINFHSA-N 303.408 3.225 10 10 DGCE O=C1OC(c2ccc(F)cc2)=CC1=Cc1ccc([N+](=O)[O-])o1 2297617527 KFMJDHJYBJDNGN-UHFFFAOYSA-N 301.229 3.308 10 10 DGCE O=C(C=Cc1ccc(Cl)nc1)N1CCc2ccc(F)cc21 2304368003 SGGUTEVUHCNJRW-UHFFFAOYSA-N 302.736 3.477 10 10 DGCE Cc1ccc(CNOCC2(C)CC2)c(O)c1Br 2307473107 HALCMYHDEWDKSZ-UHFFFAOYSA-N 300.196 3.284 10 10 DGCE Oc1c(Br)cccc1CN[C@@H]1C[C@@H]2C[C@H]1C[C@H]2F 2308606911 TWZXHQLPQMAQKE-YRRQLQLVSA-N 314.198 3.381 10 10 DGCE CC1=NN(c2ccccc2)C(=O)C1=Cc1cc([N+](=O)[O-])ccc1O 2313521557 WTJVGFIPUJBCKI-UHFFFAOYSA-N 323.308 3.107 10 10 DGCE CN(c1ccc(CN)cc1Br)[C@H]1C[C@@H]2C[C@H]1[C@H]1C[C@@H]21 2330299672 MKPIZOQEQWIEHZ-YTORKDELSA-N 321.262 3.389 10 10 DGCE Cc1ccc(CN[C@H](C)c2cn(C)cn2)c(O)c1Br 2352688276 TYSTTWDZFYTSIT-SNVBAGLBSA-N 324.222 3.047 10 10 DGCE CSc1ncc(CN[C@@]2(C(=O)O)CCCC3(CC3)C2)s1 2372155534 FIBIKXSPQICTAP-AWEZNQCLSA-N 312.460 3.132 10 10 DGCE Cc1cccc(C[S@](=O)CCCOc2ccc(N)cc2)c1 54966158 XAHQVSYQGCJXBJ-NRFANRHFSA-N 303.427 3.295 10 10 DGCE CNC[C@H]1CCN(c2ccc(OCCc3ccccc3)cc2)C1 66056182 MNPDAEICBJZGRS-GOSISDBHSA-N 310.441 3.354 10 10 DGCE O=[N+]([O-])c1ccc2c(O)c(I)sc2c1 307037069 ZNNRAMKNERSEEB-UHFFFAOYSA-N 321.095 3.120 10 10 DGCE CCN(c1ccc([C@@H](C)N)c(Br)c1)[C@H](C)COC 300515182 KOAHVBOYDIGZMO-GHMZBOCLSA-N 315.255 3.330 10 10 DGCE NC(=O)c1cccc2c1N[C@H](c1ccc(O)cc1O)[C@@H]1CC=C[C@@H]21 20681541 UFCFBSXOMZUVDV-QFSBIZTOSA-N 322.364 3.023 10 10 DGCE Cc1ccc(O)c([C@@H](C)NCC[C@H]2C(=O)Nc3ccccc32)c1 185877981 GIGJCYNMJHDDFG-UKRRQHHQSA-N 310.397 3.477 10 10 DGCE CC(=O)c1cc(F)cc(CN(CCCO)c2ccccc2)c1O 132451694 PRBIUTMMFOZADP-UHFFFAOYSA-N 317.360 3.123 10 10 DGCE Nc1ccc2c(c1)C1(CCOCC1)C(=O)N2c1ccsc1 96080459 FCSUOPDSUPZIAB-UHFFFAOYSA-N 300.383 3.057 10 10 DGCE CCC1(CN[C@@H](C)c2ccc(N3CCC(O)CC3)cc2)CC1 90219424 VASCWWGQSJRXDE-HNNXBMFYSA-N 302.462 3.489 10 10 DGCE CNC(=O)CC[C@@H]1CCCCN1Cc1cc(Cl)cc(C)c1O 289953847 YTNYJBGLABWOSB-HNNXBMFYSA-N 324.852 3.235 10 10 DGCE CC[C@@H](NCc1cnn(C)n1)c1cc(Cl)cc(Cl)c1O 806167113 KXTVNXIOVOHCAW-GFCCVEGCSA-N 315.204 3.068 10 10 DGCE CCCNCc1ccc(N(C)[C@@H](C)C[S@@](C)=O)c(Cl)c1 398867540 AIURQRLEOTVZGT-FKIZINRSSA-N 316.898 3.043 10 10 DGCE C[C@H](N[C@H]1CNCC[C@@H]1C)c1ccc(N2CCCCC2)c(F)c1 817967207 FOCKMFTUGGSIET-MPGHIAIKSA-N 319.468 3.465 10 10 DGCE CC(C)NC(=O)COc1ccc(N2CCCCC2)c(Cl)c1 817382271 SPZJHCXEUASKJY-UHFFFAOYSA-N 310.825 3.234 10 10 DGCE Cc1c(Cl)c(CNCc2ccc3c(c2)CCCN3C)nn1C 817407677 XXMXNFINTHZNGS-UHFFFAOYSA-N 318.852 3.054 10 10 DGCE Cc1cc(CN2CCCc3cc(CN)ccc32)cnc1Cl 843057394 CXNNNMHBRQWSLW-UHFFFAOYSA-N 301.821 3.455 10 10 DGCE CCc1ccncc1NCc1ccc(N2CCOCC2)c(F)c1 844705102 HILRSZHRKXYAAU-UHFFFAOYSA-N 315.392 3.232 10 10 DGCE C[C@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1ccns1 858369793 XWWBFNSPLMSTGX-NEPJUHHUSA-N 318.446 3.331 10 10 DGCE C[C@H]1C[C@H](NCc2ccc(N3CCCCC3)cc2)c2ncnn21 850352413 VAQXDODHEZLJAM-YOEHRIQHSA-N 311.433 3.064 10 10 DGCE CCOc1cccc(CN[C@@H](c2ccccc2)[C@@H](C)O)c1O 850421132 VWLXHRJKXVCUQT-CXAGYDPISA-N 301.386 3.003 10 10 DGCE COc1ccc(N2CC[C@@H](Nc3nc4ccccc4[nH]3)C2)cc1 853758903 MKLBQWDBUDRUDZ-CYBMUJFWSA-N 308.385 3.262 10 10 DGCE CN(C)c1ccc(CN[C@@H]2c3ccccc3OC[C@H]2F)cc1F 866247979 IWBCCIRSNACPTB-CRAIPNDOSA-N 318.367 3.453 10 10 DGCE O=C(NCc1cccc(-c2cccnc2)c1)c1cc(O)cs1 768731528 HPQJADJZNJOJGQ-UHFFFAOYSA-N 310.378 3.446 10 10 DGCE C[C@H](NC(=O)Nc1ccc2nccn2c1)c1ccc(N(C)C)cc1 775637774 XRAWQTSTPKWVRI-ZDUSSCGKSA-N 323.400 3.283 10 10 DGCE Oc1c(F)cc(Cl)cc1CN1CCC(c2cnc[nH]2)CC1 775697486 FAEYHYNAJLGZJY-UHFFFAOYSA-N 309.772 3.287 10 10 DGCE O=C(c1oc(C2CC2)nc1C(F)F)N1Cc2cccc(O)c2C1 1123848230 WECMCYUMJDKBAQ-UHFFFAOYSA-N 320.295 3.351 10 10 DGCE Cc1cc(Br)c(O)c(CNCc2cc(C)on2)c1 781629087 UCCKZIYDTBGYEI-UHFFFAOYSA-N 311.179 3.049 10 10 DGCE O=C(NC[C@@H]1CCCCS1)c1cc2cc(O)c(O)cc2s1 897368692 SFVDTZHWFTUYIE-JTQLQIEISA-N 323.439 3.328 10 10 DGCE CC1=C[C@@H](C)CN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 797518580 CJMRGILIJRFJLL-HIFRSBDPSA-N 301.434 3.421 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)NN1CCCCC1 1153468659 ROESVCKUZMCBHZ-UHFFFAOYSA-N 303.431 3.286 10 10 DGCE O=C(NCc1cccc(O)c1O)c1ccc(Cl)c(Cl)c1 1176566387 WLJRRIKAKSXMPG-UHFFFAOYSA-N 312.152 3.335 10 10 DGCE Oc1ccc(Cl)cc1CNC[C@H]1CC[C@H](C(F)(F)F)O1 722405717 ZXYOZJRKNQMKHN-ZYHUDNBSSA-N 309.715 3.245 10 10 DGCE COc1ccc(N(C)CCN(C)Cc2ccccc2F)cc1 1195790693 VSJOUEZQEPNGIV-UHFFFAOYSA-N 302.393 3.403 10 10 DGCE C[C@@H](NCC1CCC2(CC1)OCCO2)c1cc(F)ccc1O 193377960 LGOJQTZURDVGQB-GFCCVEGCSA-N 309.381 3.115 10 10 DGCE COC(=O)/C=C\c1ccc(N2CCC(C)(F)CC2)c([N+](=O)[O-])c1 1458512399 ANTFKXBRUQLMHA-XQRVVYSFSA-N 322.336 3.109 10 10 DGCE CCc1nc(COc2ccc(N(C)C)c(C(=O)OC)c2)cs1 1459244395 WJMUUOCISGSIIP-UHFFFAOYSA-N 320.414 3.137 10 10 DGCE CC(=O)N1CCN(/N=N/c2ccc(Cl)cc2Cl)CC1 1860484972 MKPXAEJYZCYPSG-FOCLMDBBSA-N 301.177 3.156 10 10 DGCE CC[C@@H](N)Cc1c(Sc2nccs2)nc2sccn12 104434747 JUMXEJAHWMXCEW-MRVPVSSYSA-N 310.473 3.283 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2cc(C(F)(F)F)ccc2N)c1 1633282113 DEXLHTXPJCVAPN-UHFFFAOYSA-N 324.302 3.232 10 10 DGCE Cc1ccc(SCCC(=O)NCc2ccc(O)cc2O)cc1 1630296982 VHDVWWBSHNTQIZ-UHFFFAOYSA-N 317.410 3.205 10 10 DGCE Cc1cc(CC(=O)NCCn2cccc2)c(C)n1-c1ccccc1 1634563553 LYSIARRUCIKPPW-UHFFFAOYSA-N 321.424 3.255 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)C1=Cc2ccccc2OC1 1644587821 SRCSPXPTNXKJKN-UHFFFAOYSA-N 315.756 3.138 10 10 DGCE C/C(=C/c1ccccc1)CN(C)C(=O)c1c(F)ccc(O)c1O 1648710770 QJZXOAUEKXPISG-BENRWUELSA-N 315.344 3.412 10 10 DGCE Cn1ccc(Nc2ccccc2NC(=O)c2cc(O)cs2)n1 1643539250 LLDHGXFWVJAYFW-UHFFFAOYSA-N 314.370 3.183 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1cccc2nc[nH]c12 1652705391 CQZCJSHSPGQGJP-UHFFFAOYSA-N 317.348 3.352 10 10 DGCE O=C(Cc1cccc2ccccc12)NCc1cc(O)ccc1O 1651222252 CRQRSJYTPDTKLS-UHFFFAOYSA-N 307.349 3.110 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCC[C@@H](C)C1 1673738104 UYHINURUDMNYPD-ZBFHGGJFSA-N 317.477 3.434 10 10 DGCE Cc1cc(C)c(O)c(CN2CCc3c(nc(C(C)C)n3C)C2)c1 164390008 MLLSKMHRBQZZTF-UHFFFAOYSA-N 313.445 3.424 10 10 DGCE Cn1nccc1NC(=O)CCn1c2c(c3ccccc31)CCCC2 1853320359 ZUPHNQLLMXKLHJ-UHFFFAOYSA-N 322.412 3.282 10 10 DGCE Cc1cc(N(Cc2ccccc2)[C@@H](CO)C(C)C)ccc1CN 1915326288 VFUHHACUDLQWAV-FQEVSTJZSA-N 312.457 3.477 10 10 DGCE C[C@H](CCCCCO)NCc1cccc(Br)c1O 1969742413 FRIHAZOWYYDZCS-LLVKDONJSA-N 316.239 3.186 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](Nc3ccc(N)cc3)[C@H]2C1 1977677921 IICHHJGJKPVJBP-VBNZEHGJSA-N 317.433 3.326 10 10 DGCE C[C@H](O)CN(Cc1ccccc1)c1ccc2c(c1)CCC[C@H]2O 1986598753 AKFCMLSYWSFWDF-MGPUTAFESA-N 311.425 3.444 10 10 DGCE CNCc1ccc(N2CCC[C@@H]2CF)cc1Br 2004422908 MZXZTNJHJVJZHP-GFCCVEGCSA-N 301.203 3.107 10 10 DGCE Cc1c([N+](=O)[O-])cnc(Oc2ccc(N)cc2)c1Br 165844637 VMQPZGAXTAYGEO-UHFFFAOYSA-N 324.134 3.435 10 10 DGCE Oc1cc(Br)ccc1CN1C[C@H](F)C[C@@H](F)C1 2011415544 SEEQGZQKAUJDFJ-GHMZBOCLSA-N 306.150 3.037 10 10 DGCE CCNCc1ccc(N2C[C@@H](F)[C@H](C)C2)c(Br)c1 2035297127 MTANEDLAGZKHAW-ZWNOBZJWSA-N 315.230 3.353 10 10 DGCE CCO[C@@H](CNCc1cc(Br)ccc1O)C1CC1 2068152820 WINMMDHWWOHPJN-AWEZNQCLSA-N 314.223 3.059 10 10 DGCE CCN(c1ccc(N)cc1)S(=O)(=O)c1ccsc1Cl 2093655136 BCEVIJRVLQMQLH-UHFFFAOYSA-N 316.835 3.199 10 10 DGCE CCCN[C@H]1[C@@H](Sc2nccs2)COCCC1(F)F 2097090206 CTYXVIMKGVCRIM-UWVGGRQHSA-N 308.419 3.028 10 10 DGCE Nc1ccc(CNc2cc(Br)cc(F)c2N)cc1 2217921064 ZVNCKNKTOQXJAT-UHFFFAOYSA-N 310.170 3.365 10 10 DGCE Cc1ccc(CNC[C@@H](C)C(F)F)c(O)c1Br 2307566654 HWRSYOXLFYWLLO-MRVPVSSYSA-N 308.166 3.454 10 10 DGCE CCCOC(=O)c1cccc(N=NN(C)C2CCN(C)CC2)c1 2330232992 YBWZJFVJPUQKEO-UHFFFAOYSA-N 318.421 3.278 10 10 DGCE Nc1ccc(NC(=O)Nc2ccc(Br)c(O)c2)cc1 2344207289 BPDBCKGXTKFYLP-UHFFFAOYSA-N 322.162 3.381 10 10 DGCE CCn1cnc(N(C)Cc2ccc(C)c(Br)c2O)c1 2352619604 HGLKRGGGGRRWLR-UHFFFAOYSA-N 324.222 3.316 10 10 DGCE O=C1/C(=C\c2cccnc2)SC(=S)N1Nc1ccccc1 5706239 FIHKPCNNRDKJOQ-UKTHLTGXSA-N 313.407 3.310 10 10 DGCE O=C(O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H]1CCCO1 20335016 HOPKAYFUTSCGOH-LBPRGKRZSA-N 317.366 3.231 10 10 DGCE Cc1ccsc1CN(C)C(=O)CCOc1ccc(N)cc1 40321292 XADHGTYYNFJSGE-UHFFFAOYSA-N 304.415 3.066 10 10 DGCE Cc1cc(O)c(CN2CCCC[C@H](N3CCCC3)C2)cc1C 92785629 UVQBPHKTASKWFD-SFHVURJKSA-N 302.462 3.459 10 10 DGCE CCN[C@H]1C(=O)Nc2cc(N(C)C3CCCC3)c(Cl)cc21 118705147 YNPQRHJGXUYHOR-OAHLLOKOSA-N 307.825 3.322 10 10 DGCE CCN(CC)c1ccc(CNCCOC)c(C(F)(F)F)c1 167338160 POVXDEXNJILRBQ-UHFFFAOYSA-N 304.356 3.288 10 10 DGCE Cc1cc(Cl)cc(CN2CCS[C@@H]3COCC[C@@H]32)c1O 180684124 SBARPEQMOQUNOB-UONOGXRCSA-N 313.850 3.060 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc2c(c1)CCCO2 181012728 WOZDMINQKPCTBC-XBXARRHUSA-N 311.337 3.075 10 10 DGCE Cc1ccc(C(=O)N(C)[C@H](C)Cc2ccsc2)c(O)c1O 182555044 JEJCMLFSTMYHIV-LLVKDONJSA-N 305.399 3.171 10 10 DGCE Oc1c(Br)cccc1CNC1(C(F)(F)F)CC1 229655448 LTWUQZLHKKAVNX-UHFFFAOYSA-N 310.113 3.339 10 10 DGCE COc1ccccc1/C=C\C(=O)N(C)Cc1ccc(N(C)C)cc1 229766020 ZDSCXIJFDZZEAZ-KAMYIIQDSA-N 324.424 3.433 10 10 DGCE CCC[C@@]1(CO)CCN(Cc2cc(Cl)c(F)cc2O)C1 293938237 OAJTWNRIKNIRQR-OAHLLOKOSA-N 301.789 3.169 10 10 DGCE Cc1ccoc1CN(C)c1ccc(CN)c(Br)c1 385790179 YZMWBKZICPVPRE-UHFFFAOYSA-N 309.207 3.446 10 10 DGCE C[C@H]1CC[C@H](N(C)Cc2cc(Br)ccc2O)CO1 401535942 RRAZLOSAJTUAHV-GWCFXTLKSA-N 314.223 3.154 10 10 DGCE C[C@@H]1CCCC[C@H]1S(=O)(=O)Nc1ccc(O)cc1Cl 407435118 RFAAHKIPZOHFBK-NOZJJQNGSA-N 303.811 3.366 10 10 DGCE [N-]=[N+]=NCCCCNC(=O)Cc1ccccc1Br 692455617 FFSYAABBEWWYCH-UHFFFAOYSA-N 311.183 3.198 10 10 DGCE NCc1ccc(N(CC(F)F)CC(F)(F)F)cc1Cl 720074400 MACFBMNTFANBJI-UHFFFAOYSA-N 302.674 3.433 10 10 DGCE CO[C@@H]1CC[C@H]1N(C)c1ccc([C@H](C)O)cc1Br 724149966 IELUDSJMKZLAPN-CUOATXAZSA-N 314.223 3.116 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H]1CCC[C@@H]1O 742775075 PLICUWAWPAUMDO-HIFRSBDPSA-N 318.442 3.046 10 10 DGCE Oc1ccc2ccncc2c1CN1CCC[C@@H]([C@H]2CCOC2)C1 747827255 NRBLAOYMANGHHD-CVEARBPZSA-N 312.413 3.189 10 10 DGCE COC(=O)c1ccc(CN2CCc3cc(OC)ccc32)cc1F 756823376 LRVKSZOXDVGEAL-UHFFFAOYSA-N 315.344 3.184 10 10 DGCE Cc1cc(Cl)cc(CN(C)CCCNC(=O)C2CCC2)c1O 763628283 VMVUZGPYQRHKHU-UHFFFAOYSA-N 324.852 3.092 10 10 DGCE C[C@H](CN(C)Cc1ccc(N(C)C)cc1)NC(=O)OC(C)(C)C 785438763 IPRPJABADMFQHJ-CQSZACIVSA-N 321.465 3.098 10 10 DGCE C[C@@H](O)C(C)(C)NCc1ccc2c(c1)CCN2Cc1ccccc1 796342262 WLBRBCXGJCULBB-MRXNPFEDSA-N 324.468 3.498 10 10 DGCE Oc1ccc(Cl)cc1CN[C@@H]1COc2ccc(F)cc2C1 808452610 MLUGUNGOJAMEMI-AWEZNQCLSA-N 307.752 3.278 10 10 DGCE C[C@@H](NCC1(N)CCCCCC1)c1cc([N+](=O)[O-])ccc1O 817943155 JOMUZDMXWBWWPV-GFCCVEGCSA-N 307.394 3.003 10 10 DGCE O=C(/C=C/[C@H]1CCCO1)NCc1cc(Cl)cc(Cl)c1O 819533423 JFZYKXFJEOAHCY-PGLGOXFNSA-N 316.184 3.050 10 10 DGCE CN1CCCc2cc(CNC(=O)C3CC4(C3)CC4(F)F)ccc21 824676866 UKDCMJNONIXJEM-UHFFFAOYSA-N 320.383 3.121 10 10 DGCE COc1ccc(CN[C@@H]2CCO[C@@H](c3cccnc3)C2)cc1C 824931630 CHPCLQVGOGKZOO-IEBWSBKVSA-N 312.413 3.409 10 10 DGCE COc1cc(O)c(CNCC2(C3CCC3)CCC2)cc1OC 835059166 NTWDIUBDDYHPQV-UHFFFAOYSA-N 305.418 3.469 10 10 DGCE C[C@@H]1C[C@@H]1[C@@H](C)NCc1ccc(N2CCC(CO)CC2)cc1 840719969 XKSWIXQWADARLA-CLCXKQKWSA-N 302.462 3.029 10 10 DGCE Cc1cc(O)c(CNCC[C@@]2(O)C[C@H]3CC[C@H]2C3)c(Cl)c1 840948854 YQAUFCMNJFLKSH-GDZNZVCISA-N 309.837 3.385 10 10 DGCE Cc1ccc(O)c(CN[C@H](C)Cc2ccc(N(C)C)cc2C)n1 840975547 HVKJNHVMIAQCPU-OAHLLOKOSA-N 313.445 3.191 10 10 DGCE C[C@H](O)[C@H](NCc1cccc(Cl)c1O)c1ccccc1F 846017763 PVDXCXIJOOMNQU-BONVTDFDSA-N 309.768 3.396 10 10 DGCE C/C(=C/c1cccnc1)C(=O)NCc1c(O)ccc2c1CCCC2 847590568 ATGOPCAYRSTJGZ-KAMYIIQDSA-N 322.408 3.386 10 10 DGCE C[C@H](N[C@H]1CCC[C@@H]1Cc1cnn(C)c1)c1cc(F)ccc1O 850541090 ROOICCDSPAQWOX-QEORTHHSSA-N 317.408 3.327 10 10 DGCE C[C@@H](N[C@H](C)c1nccn1C)c1ccc(Br)cc1O 850572458 KFZZCHFKEOTSRI-NXEZZACHSA-N 324.222 3.300 10 10 DGCE Cc1cc(CN2C[C@H]3COC[C@]3(C)C2)ccc1N1CCCCC1 852536476 VAQPZZFUQVHIAS-ICSRJNTNSA-N 314.473 3.454 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCC(c2ccco2)CC1 855291383 HVGDAHRYPXNZMK-XQRVVYSFSA-N 313.353 3.110 10 10 DGCE C/C=C\C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 862551700 XSTYHYYSCNQXEP-SCOBNMCVSA-N 320.389 3.487 10 10 DGCE COc1ccc(N(C)Cc2cnc3onc(C)c3c2)cc1F 894429537 INDJCSVZJNESGL-UHFFFAOYSA-N 301.321 3.315 10 10 DGCE OC[C@H]1C[C@H]2CC[C@H]1N(Cc1ccc(N3CCCCC3)cc1)C2 895919500 GJYAKLKIFSSFOW-QWFCFKBJSA-N 314.473 3.270 10 10 DGCE CCc1cc(CN2CC[C@H](C(=O)OC)C2)c(O)c(C(C)(C)C)c1 919941867 XPHWRKBBTNFRAC-AWEZNQCLSA-N 319.445 3.247 10 10 DGCE C[C@H](N[C@H]1CCCc2cccnc21)c1cc([N+](=O)[O-])ccc1O 927063232 ABXLOVQLQHPAQQ-NHYWBVRUSA-N 313.357 3.424 10 10 DGCE CC1(C)CN(C(=O)Cc2ccc(O)c(O)c2)c2cc(F)ccc21 1164464207 DATHPRANOPGYNN-UHFFFAOYSA-N 315.344 3.104 10 10 DGCE COc1ccc(Br)c(CN(C)C(C)(C)C)c1O 1231553161 SAYXMVSTSNFMCT-UHFFFAOYSA-N 302.212 3.394 10 10 DGCE C[C@@H](CCc1cccc(F)c1)C(=O)NCc1cccc(O)c1O 1347234882 RKTNHTQWCXYPCG-LBPRGKRZSA-N 317.360 3.122 10 10 DGCE C[C@@H](Cn1ccc2ccccc21)C(=O)NCc1cccc(O)c1O 1455317319 TTWSSMJXYRLVOD-ZDUSSCGKSA-N 324.380 3.005 10 10 DGCE O=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1cc2cc(O)c(O)cc2s1 1565886847 UVFITYQNHAAPDY-QXEWZRGKSA-N 303.383 3.231 10 10 DGCE CSc1ccc(O)c(C(=O)NCc2ccc(N(C)C)cc2)c1 1623316352 SHCUAPNZZIESMR-UHFFFAOYSA-N 316.426 3.110 10 10 DGCE COc1cccc(CNC(=O)c2cccc3cccc(O)c23)c1O 1630366839 XQOCPWCYNRDXJQ-UHFFFAOYSA-N 323.348 3.190 10 10 DGCE CC(C)CC1(C)CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1642018073 QRWYCBNGNIGFHN-UHFFFAOYSA-N 305.418 3.315 10 10 DGCE CCOC(=O)/C=C/CN(CC1CC1)c1ccc(OCC)cc1 1644161991 RYZDZOGLHQUEBM-AATRIKPKSA-N 303.402 3.421 10 10 DGCE COC(=O)/C=C/c1ccc(N2CC[C@H]2C(C)(C)C)c([N+](=O)[O-])c1 1652330370 RRLPRQODIZGZKL-VFADXPBXSA-N 318.373 3.406 10 10 DGCE CCN(CC)c1ccc(-c2nc3ccccc3n2CC(N)=O)cc1 1873520789 VJCYGMVQIURMII-UHFFFAOYSA-N 322.412 3.035 10 10 DGCE Cc1cc(N(C)CC2(Br)CC2)ccc1C=CC(=O)O 1887923597 HVLMZGPQVMCRHB-UHFFFAOYSA-N 324.218 3.457 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN(C(=O)c2ccoc2Br)C1 1912211192 TXOQCWXEWGVEED-MRVPVSSYSA-N 313.155 3.205 10 10 DGCE CC(C)(C)OC(=O)N1CCC(C)([C@H](N)c2ccccc2O)CC1 1936970764 OTLDRPJJAUKTQX-OAHLLOKOSA-N 320.433 3.429 10 10 DGCE C[C@@H]1C[C@@H]1[C@@H](C)NCc1cc(Br)cc(F)c1O 1942720500 NKRBOIZKRPXGIN-XLDPMVHQSA-N 302.187 3.428 10 10 DGCE Cc1cc(C(=O)N2CC[C@H](N=[N+]=[N-])C2)c(Br)s1 1951110607 LNNXXDNDYXETHF-ZETCQYMHSA-N 315.196 3.344 10 10 DGCE NC1(c2ccc(OCc3ccccc3)cc2O)CCC(O)CC1 1952512300 YJYNXHHJKXCJHW-UHFFFAOYSA-N 313.397 3.060 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@H]1CC2(CC2)CO1 1965991796 OEWKVTYPHVIXDT-LLVKDONJSA-N 302.201 3.358 10 10 DGCE C[C@@H](CCO)N(Cc1ccccc1)c1ccc2c(c1)CC[C@@H]2N 1986603206 SMVACBMBLQMRJC-YWZLYKJASA-N 310.441 3.410 10 10 DGCE Cc1ccc(CNCC2(N(C)C(=O)OC(C)(C)C)CC2)c(O)c1 1994457269 YCKDNPCKIMTZNT-UHFFFAOYSA-N 320.433 3.190 10 10 DGCE Cc1ccc(CNCc2cnn(Cc3ccccc3)c2)c(O)c1 1994458240 PJUYSIQSQJZFNF-UHFFFAOYSA-N 307.397 3.235 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@H]3C[C@H]2CN(Cc2ccccc2)C3)cc1 1997909902 KFUGISSRQRYTFW-MMOPVJDHSA-N 321.468 3.417 10 10 DGCE CCCN(CCCO)c1ccc([C@@H](C)N)c(Br)c1 2032100897 VIMISQIBCAWTLO-LLVKDONJSA-N 315.255 3.068 10 10 DGCE Oc1c(Br)cccc1CNC[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32 2070857054 CZLMKGHWHOYQBD-OJROKELRSA-N 308.219 3.146 10 10 DGCE Cc1cc(O)c([C@H](n2nc(C)c(N)c2N)C(C)(C)C)cc1C 2079944532 SFLGPARRILIESP-HNNXBMFYSA-N 302.422 3.314 10 10 DGCE C[C@H](N)c1ccc(N2C[C@@](C)(F)[C@](C)(Br)C2)cc1 2084856078 LIPTXZMBWVWICF-ZLKJLUDKSA-N 315.230 3.408 10 10 DGCE C[C@H](N)c1ccc(N(C)[C@@H]2COCCC2(F)F)c(Cl)c1 2168220887 QQGSKHAPBQJJOT-TVQRCGJNSA-N 304.768 3.220 10 10 DGCE C[C@H](O)c1ccc(N2CCS[C@@H]3COCC[C@H]32)c(Cl)c1 2170501653 COVFWUQSTJXUJE-COLVAYQJSA-N 313.850 3.104 10 10 DGCE CC(C)O[C@@H]1CCCN(c2cc(Cl)c(CN)cc2F)C1 2177380510 FNGNNYHJZLTZAE-GFCCVEGCSA-N 300.805 3.332 10 10 DGCE CC(C)NCc1ccc(N2CCOC[C@H]2CF)cc1Cl 2182597849 HTLCYYRIKOFDJW-CQSZACIVSA-N 300.805 3.013 10 10 DGCE Cc1nc(CSCC(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])cs1 2234175543 CYEMZOBLWGGXPV-QWRGUYRKSA-N 311.436 3.032 10 10 DGCE CO[C@@H]1CC(F)(F)CC[C@H]1NCc1cnc(SC)s1 2269271629 NEFBACBGQSFOMW-NXEZZACHSA-N 308.419 3.157 10 10 DGCE Cc1ccccc1C1=NC(=Cc2ccc(N(C)C)cc2)C(=O)O1 2297174952 AAYQMMAZEMDYGI-UHFFFAOYSA-N 306.365 3.406 10 10 DGCE CCN(CCN=[N+]=[N-])C(=O)c1cc(C)c(Br)o1 2300530336 ORZYAAZYZUKKMD-UHFFFAOYSA-N 301.144 3.123 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN(Cc2nc(Br)cs2)C1 2303337813 XTOICYNDZXMDSR-MRVPVSSYSA-N 316.228 3.428 10 10 DGCE CC[C@](C)(CCO)NCc1ccc(C)c(Br)c1O 2327625003 XNRXYJZAIKXHHC-CQSZACIVSA-N 316.239 3.104 10 10 DGCE CCC(F)(F)C(=O)NCc1ccc(C)c(Br)c1O 2327789717 OIIKIECLADGBCD-UHFFFAOYSA-N 322.149 3.125 10 10 DGCE COc1ccc(N2N=C(C)C(=Cc3ccc(O)cc3)C2=O)cc1 2332099709 WILZKDFCWQEYCV-UHFFFAOYSA-N 308.337 3.207 10 10 DGCE Cc1ccc(CN[C@@H](C)c2cnn(C)c2)c(O)c1Br 2352685246 VRWHMKZPSNLYCO-JTQLQIEISA-N 324.222 3.047 10 10 DGCE CNCc1cc(F)c(N2C[C@H](SC)CC2(C)C)c(F)c1 2360508256 HFICROSJDIMNSK-LLVKDONJSA-N 300.418 3.405 10 10 DGCE CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(C)cc2)SC1=S 16904651 MLQBCWNRZYEKOJ-LCFDYFRESA-N 321.423 3.059 10 10 DGCE CC(C)[C@H](C(=O)Nc1ccc(N)cc1)N1CCc2ccccc2C1 62461143 FCPVOOHXAXXSQZ-LJQANCHMSA-N 323.440 3.290 10 10 DGCE COc1ccc(N2CC[C@H](NC(C)C)C2)cc1Br 88330768 OWODUYFJLNCQIR-NSHDSACASA-N 313.239 3.034 10 10 DGCE C[C@H](CO)CN(Cc1cccs1)c1ccc2c(c1)OCCO2 121370082 FONINHQDLUXBLU-ZDUSSCGKSA-N 319.426 3.154 10 10 DGCE CSCCCNCc1cc(Br)cc(C)c1O 133256848 RQPFNWIQYSZNFU-UHFFFAOYSA-N 304.253 3.306 10 10 DGCE CCN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@H](C)c1cccnc1 181090128 BCMHVRHUOKYCLN-BUUCAEBMSA-N 312.369 3.116 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1C[C@@H]2OCCC[C@@H]21 190335122 GGGNWXUOEOIBQP-RTXFEEFZSA-N 302.201 3.356 10 10 DGCE CN(Cc1cscn1)c1c(F)cc(/C=C\C(=O)O)cc1F 213600510 JMCJAUXUNOKVNH-IHWYPQMZSA-N 310.325 3.156 10 10 DGCE CCN(CC)[C@H](C)CNCc1ccc(N2CCCCC2)cc1 236871371 MKWIRYRQDRSXKC-QGZVFWFLSA-N 303.494 3.497 10 10 DGCE CCOc1ccc(O)c(CN[C@@H](C)[C@@H](O)c2cccc(F)c2)c1 267156843 DSUYCDUQTLLURH-KPZWWZAWSA-N 319.376 3.142 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CSC1(C)C 283102295 ZZHISHJAQHJYCD-CQSZACIVSA-N 308.447 3.208 10 10 DGCE COc1ccccc1[C@H](O)CN[C@H](C)c1c(C)cc(C)cc1O 284033530 JKFHWHRWMTZFRL-RHSMWYFYSA-N 315.413 3.402 10 10 DGCE CSCCCN(C)c1ccc(CN)c(Br)c1 300798805 FCKPTYDYOXEPIW-UHFFFAOYSA-N 303.269 3.097 10 10 DGCE CCOCCCN(C)c1ccc([C@H](C)N)c(Br)c1 382802314 TXBBFHLZGPZEQS-NSHDSACASA-N 315.255 3.332 10 10 DGCE COC[C@H]1CCCN1[C@@H](C)c1cc(Br)ccc1O 696562462 KNLQVFHKQPBUIA-CMPLNLGQSA-N 314.223 3.327 10 10 DGCE COc1ccc(CNC[C@@H](C)CNC(=O)OC(C)(C)C)cc1C 697831273 DSLJYIMKTKXIGZ-CYBMUJFWSA-N 322.449 3.254 10 10 DGCE OCc1ccc(N2CC[C@@H](C(F)F)C2)cc1Br 706378313 RXBGVQNQVQHESH-MRVPVSSYSA-N 306.150 3.033 10 10 DGCE CN(C)c1ccc(CN[C@@H]2CCCC[C@@H]2[C@H]2CCOC2)cc1 788978017 LRHICTNWDQXQCT-QXAKKESOSA-N 302.462 3.438 10 10 DGCE COc1c(C)cc(C)cc1S(=O)(=O)Nc1ccc(O)c(C)c1 800838725 KTYLBPKXQABFST-UHFFFAOYSA-N 321.398 3.127 10 10 DGCE COc1cc(C)nc(/C=C2\SC(=S)N(C3CCC3)C2=O)c1 814186086 VKZKWMQOYZCZPW-JYRVWZFOSA-N 320.439 3.152 10 10 DGCE CC(C)[C@@H](C)CNC(=O)c1csc(Cc2ccc(N)cc2)n1 817950378 UYBMOLFSSQYVFL-LBPRGKRZSA-N 317.458 3.338 10 10 DGCE COC[C@@H]1CCCN(Cc2cc(Cl)cc(OC)c2O)CC1 825321784 NUHWCXJLVMVHRF-GFCCVEGCSA-N 313.825 3.303 10 10 DGCE C[C@@H](NC(=O)Cc1ccncc1Cl)c1ccc(N(C)C)cc1 832430489 FHQUMZNTLPHUGV-GFCCVEGCSA-N 317.820 3.221 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCC[C@]3(CCOC3)C2)cc1 835054900 MYRQVTMJTXGGFD-UABKOXTMSA-N 300.446 3.268 10 10 DGCE Cc1cc(N(C)C)ccc1CN1CCC[C@@H](c2ccncn2)C1 840911772 QDZFYUPTZBTAKI-QGZVFWFLSA-N 310.445 3.231 10 10 DGCE Cc1cc(O)c(CN2CCC[C@H]([C@@H]3CCNC3)C2)c(Cl)c1 843125077 MZGDMNLHJRNFMB-KGLIPLIRSA-N 308.853 3.176 10 10 DGCE C[C@H](NCc1ccc(N(C)C)c(F)c1)[C@@](C)(O)c1ccccc1 846035741 DIJWPHRGMLTXKD-IFXJQAMLSA-N 316.420 3.278 10 10 DGCE Oc1ccccc1CN(CCO[C@H]1CC1(F)F)Cc1ccco1 851841092 MZDWTTJIRZQCFK-INIZCTEOSA-N 323.339 3.412 10 10 DGCE Clc1cc(OC[C@H]2COCCO2)ccc1N1CCCCC1 853726514 XBCPYVKDNFEWQZ-CQSZACIVSA-N 311.809 3.125 10 10 DGCE COc1cc(C)cc(CNC2([C@@H]3CCCCO3)CCC2)c1O 895465326 BBBLNEUQTKYEEF-INIZCTEOSA-N 305.418 3.291 10 10 DGCE COc1cc(Cl)cc(CN2CC[C@@H]([C@@H]3CCCO3)C2)c1O 895843815 CRULTQHQPLETIY-RISCZKNCSA-N 311.809 3.055 10 10 DGCE CN(C(=O)/C=C/c1cnc2ccccc2n1)c1ccc(F)cc1 917778509 XEVMHKZXOBIWRE-DHZHZOJOSA-N 307.328 3.445 10 10 DGCE O=C(Nc1nc2cc(Cl)c(F)cc2[nH]1)c1cc(O)cs1 1148516296 GIJONKWMQJILOI-UHFFFAOYSA-N 311.725 3.375 10 10 DGCE CN(C)c1ccc([C@H](CNC(=O)/C=C\C(C)(C)C)N(C)C)cc1 1158718426 XRRZHGJDXWOLKH-QOHRORDFSA-N 317.477 3.074 10 10 DGCE C/C(=C\c1ccccn1)C(=O)NCc1cccc(Cl)c1O 1159041330 IHOXIVDPCFDNEZ-PKNBQFBNSA-N 302.761 3.160 10 10 DGCE Cn1cnc(/C=C\C(=O)N(Cc2cscn2)c2ccccc2)c1 1265128823 RLVAYVLWYHHCJD-FPLPWBNLSA-N 324.409 3.123 10 10 DGCE c1cc(N2CCCC2)ccc1CNC1([C@@H]2CCCCO2)CC1 1332329133 FHRQSNPZNIROAM-SFHVURJKSA-N 300.446 3.478 10 10 DGCE Cc1ccc(C)c(OCCC(=O)NCc2c(O)cccc2F)c1 1456100308 RSKCOQCIYXGHSX-UHFFFAOYSA-N 317.360 3.233 10 10 DGCE Cc1cccc2c1CN(C(=O)c1ccc(N=NC(N)=O)cc1)CC2 1638509832 HGHZNMPLLCPVGA-UHFFFAOYSA-N 322.368 3.356 10 10 DGCE CC(=O)c1cc(F)cc(CN2CCCC[C@@]23CCCOC3)c1O 1655142316 WEMSTGVSWCKUQA-SFHVURJKSA-N 321.392 3.269 10 10 DGCE c1cc2c(cc1CNCc1cnc([C@@H]3CCCO3)s1)CCO2 1656270067 OLEXDLAQFYUSNU-INIZCTEOSA-N 316.426 3.219 10 10 DGCE COc1ccc(N(C)CC(=O)Nc2cc(F)ccc2F)cc1 1659289173 WXSZGSIFVSHFQO-UHFFFAOYSA-N 306.312 3.048 10 10 DGCE Cc1ccc(O)c(CNC(=O)NC[C@H]2C[C@H]2C2CCCC2)c1 1685785174 HGJMUYGMJIMMIL-ZBFHGGJFSA-N 302.418 3.326 10 10 DGCE Cc1ccc([C@H](C)NCC=CCNC(=O)OC(C)(C)C)c(O)c1 1911670196 OSBXRNNWVHCJNZ-AWEZNQCLSA-N 320.433 3.432 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN(C(=O)c2occc2Br)C1 1912150580 VNVSHGHLHBPISU-QMMMGPOBSA-N 313.155 3.205 10 10 DGCE [N-]=[N+]=N[C@@H]1CCN(C(=O)C=Cc2ccc(Br)cc2)C1 1912185471 QEEQGGKCBIHLDB-GFCCVEGCSA-N 321.178 3.374 10 10 DGCE CCc1ccc(S(=O)(=O)N2CCC(CN=[N+]=[N-])CC2)s1 1912199471 SORLINAVTZHLIK-UHFFFAOYSA-N 314.436 3.022 10 10 DGCE CNCc1ccc(N(CCCO)Cc2ccccc2)c(Cl)c1 1914646515 QPRINRDKVUCSMX-UHFFFAOYSA-N 318.848 3.448 10 10 DGCE Brc1cc(CNC2CC2)ccc1N1CC2(CC2)C1 1914939773 BWTDOPALNURZHR-UHFFFAOYSA-N 307.235 3.301 10 10 DGCE CC(C)(C)OC(=O)N1CC(CC[C@H](N)c2ccccc2O)C1 1928481666 YVOJBFFQTRBGRR-AWEZNQCLSA-N 306.406 3.039 10 10 DGCE CNC(C)(C)c1cc(Br)cc(Br)c1O 1952376556 ZREJIQQEYCUELD-UHFFFAOYSA-N 323.028 3.372 10 10 DGCE CC(C)(NCc1c(O)cccc1Br)[C@H]1CCCO1 1966040192 NVIDWBFLJGSYOK-CYBMUJFWSA-N 314.223 3.202 10 10 DGCE CN(Cc1ccccc1)[C@H]1CCCN(c2ccc(CO)cc2)C1 1980495974 RBJBOUPOGYUOHQ-FQEVSTJZSA-N 310.441 3.280 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCN(CCCN=[N+]=[N-])C1 1982245533 JAFOBXKFSXUUBR-UONOGXRCSA-N 323.441 3.408 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccccc2N)C2(CC2)C1 1986941619 YYSDXETYSVHTKN-OAHLLOKOSA-N 317.433 3.470 10 10 DGCE CCn1c(C2=CC[C@H](N)C2)nc2cc(Br)ccc21 2057319105 OKTVJUIPFTZZHW-NSHDSACASA-N 306.207 3.323 10 10 DGCE CCC[C@H]1C[C@@H](NCc2cccc(Br)c2O)CO1 2065790783 KDXPHXCNYAISSO-NEPJUHHUSA-N 314.223 3.202 10 10 DGCE CN(CCCOc1ccc(N)cc1)Cc1cc(Cl)ns1 2167217173 YJYAQKCUZJWBGU-UHFFFAOYSA-N 311.838 3.280 10 10 DGCE C[C@H](O)c1ccc(N(C)Cc2c(Cl)ncn2C)c(Cl)c1 2168142199 RKVNRXANAKWCJJ-VIFPVBQESA-N 314.216 3.417 10 10 DGCE C[C@H]1CN(c2ccc(OC(F)(F)F)cc2Cl)C[C@@H]1CN 2169441814 PSIUKMWXQYMGPZ-IUCAKERBSA-N 308.731 3.270 10 10 DGCE CC(C)OC1CCN(c2cc(Cl)c(CN)cc2F)CC1 2177384485 ZXQAPVWDLZHGAT-UHFFFAOYSA-N 300.805 3.332 10 10 DGCE CCn1nc(Br)cc1C(=O)CCc1ccc(N)cc1 2224230387 PPOMBXKFUQUVCD-UHFFFAOYSA-N 322.206 3.063 10 10 DGCE Oc1c(Cl)cccc1CN[C@H](C(F)F)C1CCOCC1 2239446688 QVQQLQNZXSLRTE-LBPRGKRZSA-N 305.752 3.196 10 10 DGCE CCOc1ncc(CN(C)c2ccc(CO)c(Cl)c2)s1 2239977036 RWQRHMZNVGFCBK-UHFFFAOYSA-N 312.822 3.324 10 10 DGCE CCNCc1cnc(Sc2nc3cccnc3s2)s1 2268523212 YLGSLTIYWJDJPW-UHFFFAOYSA-N 308.457 3.409 10 10 DGCE CCCN[C@@H]1CCN(Cc2cnc(SC)s2)[C@H](C)[C@H]1C 2284698109 WKIUXUUECXPHQC-YRGRVCCFSA-N 313.536 3.464 10 10 DGCE COC[C@H]1CCCN1Cc1ccc(C)c(Br)c1O 2327799452 VTFKDIGHXYSNEV-GFCCVEGCSA-N 314.223 3.074 10 10 DGCE CNC[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CC12CC2 2366017665 PAZCXFQCHVYQRZ-LLVKDONJSA-N 315.244 3.130 10 10 DGCE COc1ccc(CN[C@@H](C)CN(C)Cc2ccccc2)c(O)c1 309927996 XYYDVDHZVXIAQS-HNNXBMFYSA-N 314.429 3.011 10 10 DGCE CCCNCc1ccc(N(C)[C@@H](C)CO)cc1C(F)(F)F 122643168 FLBDMDYHQSIQSK-NSHDSACASA-N 304.356 3.022 10 10 DGCE CCCCOCCOC(=O)c1c(C)oc(-n2cccc2)c1C#N 122380012 BIFVYAMGSXSZEO-UHFFFAOYSA-N 316.357 3.224 10 10 DGCE COc1ccc(CN[C@H](C)[C@H](c2ccccc2)N(C)C)c(O)c1 185678798 FIBZDJDFLSYGKT-AUUYWEPGSA-N 314.429 3.182 10 10 DGCE Cc1cccc(CN2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)c1O 180778432 ZJQSQWJGNPWLRA-RHSMWYFYSA-N 319.351 3.287 10 10 DGCE CN(C(=O)CSc1cc(F)ccc1F)c1ccc(N)cc1 35676206 ZOLUUOQLSDCKPB-UHFFFAOYSA-N 308.353 3.302 10 10 DGCE CC(C)(C)OC(=O)N1CCCC[C@H](NCc2ccccc2O)C1 226650971 CPNYZUDXNIGWEV-HNNXBMFYSA-N 320.433 3.271 10 10 DGCE CN(C)c1ccc([C@H](N)[C@H]2CCO[C@]3(CCSC3)C2)cc1 97340085 JNJWFDQADUWDGL-BHYGNILZSA-N 306.475 3.055 10 10 DGCE CCOCc1nc([C@@H](C)N[C@@H](CC)c2ccccc2O)no1 290140799 KQIUWMQZFADWPY-YPMHNXCESA-N 305.378 3.114 10 10 DGCE CN(Cc1cc(Cl)c(F)cc1O)[C@H](CO)c1ccccc1 295039714 MMJJHQAVQWOFRR-OAHLLOKOSA-N 309.768 3.350 10 10 DGCE C[C@@H]1CO[C@H](C(F)(F)F)CN1Cc1cccc(Cl)c1O 809697118 WNQKVXYDCKATNB-KCJUWKMLSA-N 309.715 3.197 10 10 DGCE CCN[C@H](C)c1ccc(N(C)Cc2cnsn2)cc1Cl 2167123424 DPQLDKHOYVGRBQ-SNVBAGLBSA-N 310.854 3.498 10 10 DGCE CO[C@H]1CCCC[C@H]1C(=O)NCc1c(O)ccc2c1CCCC2 815835832 HAXWFLKPJTVQND-QAPCUYQASA-N 317.429 3.092 10 10 DGCE C[C@H](NC(=O)Nc1cc(F)ccn1)c1ccc(N(C)C)cc1 824849248 DRGGUFMRIFRHBW-NSHDSACASA-N 302.353 3.169 10 10 DGCE CN(C)c1ccc(/C=C\CNCC[C@@]2(O)C[C@H]3CC[C@H]2C3)cc1 835057149 YPTUUMULYGPFHV-DLURHVIKSA-N 314.473 3.297 10 10 DGCE Cc1cc(CC(=O)N[C@H](C)c2cn[nH]c2)c(C)n1-c1ccccc1 831231094 CGOICIIZPZMSAB-CQSZACIVSA-N 322.412 3.237 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCC[C@H](OC(F)F)C2)cc1 835047337 GGUQYTFPXLRSFX-WMHVBEDNSA-N 310.388 3.469 10 10 DGCE C[C@H](N[C@@H]1COCC1(C)C)c1cc(Br)ccc1O 834906245 YQBWXXXJQZJRDR-TVQRCGJNSA-N 314.223 3.230 10 10 DGCE CN(C)c1ccc(/C=C/CN2C[C@@H](N)[C@H](c3ccccc3)C2)cc1 843113787 DBOMNRUXMRAKCI-GELBITPBSA-N 321.468 3.193 10 10 DGCE C[C@H](N[C@@H](C1CCOCC1)C1CC1)c1cc([N+](=O)[O-])ccc1O 846190455 XYNZBCYAPPDBTO-APPDUMDISA-N 320.389 3.156 10 10 DGCE CC(C)[C@@H]1COCC[C@H]1NCc1ccc2c(c1)CCCN2C 924871440 NEUHAMPXZLVLQI-ZWKOTPCHSA-N 302.462 3.220 10 10 DGCE C[C@H](NC[C@@H]1CCN1C1CCCC1)c1ccc(N(C)C)cc1 858532284 IMPHVWVDEOOLFM-KXBFYZLASA-N 301.478 3.420 10 10 DGCE COc1ccc(N2CC[C@H](Nc3cc(C)nc(C4CC4)n3)C2)cc1 853758744 JYSNMFHGKJQVNK-HNNXBMFYSA-N 324.428 3.362 10 10 DGCE Cc1nn(C)c(C)c1C[C@H](C)NCc1ccc2c(c1)CCCO2 921785857 NQEODZBTOBBZRO-ZDUSSCGKSA-N 313.445 3.083 10 10 DGCE CC[C@@H](COCC1CC1)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O 850495205 YJHMJTHBOZVQCR-AAEUAGOBSA-N 308.378 3.156 10 10 DGCE CCN(CC)c1ccc(CNC(=O)CC2CSC2)cc1F 865636143 KJJFPSAYMXVMGN-UHFFFAOYSA-N 310.438 3.041 10 10 DGCE Cc1cc(O)c(CN(C)[C@H]2CCN(c3ccccc3)C2=O)cc1C 769328831 COUFWXGJUUHJQS-SFHVURJKSA-N 324.424 3.246 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCC[C@@H](F)C2)cc1 1118334214 VEVFKKGFVLGOKH-HUUCEWRRSA-N 322.424 3.118 10 10 DGCE CCN(C)c1ccc(CN2CC[C@H](C(=O)O)[C@@H]3CCC[C@@H]32)cc1 863475141 IOFDCINZYWSQNN-BZSNNMDCSA-N 316.445 3.218 10 10 DGCE O=C(c1cc2cc(O)c(O)cc2s1)N(CC(F)F)C1CC1 897074866 ODJPKJGKYFUCBN-UHFFFAOYSA-N 313.325 3.182 10 10 DGCE CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1C(=O)O 1084119132 KNQJCGZWUVXKBW-LFIBNONCSA-N 306.321 3.191 10 10 DGCE O=C1NN=C(c2ccc(F)cc2)/C1=C\Nc1ccc(Cl)cc1 1088686691 KCBGABHKDDDGLJ-NTEUORMPSA-N 315.735 3.309 10 10 DGCE CN(CCCN=[N+]=[N-])C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1962306199 YRQKMPPDWMPPSZ-CYBMUJFWSA-N 311.430 3.266 10 10 DGCE Cc1ccc(OCCC(=O)NCc2c(O)cccc2F)c(C)c1 1178410077 LFDZDTIISOXQBA-UHFFFAOYSA-N 317.360 3.233 10 10 DGCE Cc1cc(N2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)ccc1CN 705947009 UODUHAIRDZYWFE-PMACEKPBSA-N 321.468 3.022 10 10 DGCE Oc1c(Br)cc(Cl)cc1CNCC1CSC1 708124645 IGKXOONGTOSOPS-UHFFFAOYSA-N 322.655 3.261 10 10 DGCE CN(Cc1cc(Cl)cc(Cl)c1O)CC12CCN(CC1)C2 715576644 VDUFICQLHHVKDD-UHFFFAOYSA-N 315.244 3.227 10 10 DGCE CCN(CC)c1ccc(CN[C@@H]2CCCC3(C2)OCCO3)cc1 715679010 IPKODVUBHCQZGH-QGZVFWFLSA-N 318.461 3.308 10 10 DGCE CCC[C@@H](CNCc1cc(Br)cc(F)c1O)OC 715805431 WNVYDLGNROYQRI-NSHDSACASA-N 320.202 3.199 10 10 DGCE NCc1cc(F)c(N2CCCC3(CC3)C2)cc1Br 695102070 ZPIZLAVDJOFFLX-UHFFFAOYSA-N 313.214 3.427 10 10 DGCE CCN[C@]1(C(=O)OCC)CCC[C@@H](Sc2nccs2)C1 93778682 AWJVCMKIWAIKFZ-BXUZGUMPSA-N 314.476 3.089 10 10 DGCE CCC/C=C/[C@@H](O)C(=O)N(CCCC)Cc1ccccc1O 1297004922 DJCITHJRAOMKEV-SNQZOLJRSA-N 305.418 3.238 10 10 DGCE CN(Cc1cscn1)C(=O)c1cc2cc(O)c(O)cc2s1 1464441138 KZQPBQLCQPKPMO-UHFFFAOYSA-N 320.395 3.041 10 10 DGCE O=C(CSc1ccccc1Cl)NCc1ccc(O)cc1O 1469153918 XIESNXBYUPWDBR-UHFFFAOYSA-N 323.801 3.160 10 10 DGCE COc1ccc(CN[C@H]2CCC[C@@H]2Cc2cc(C)no2)c(O)c1 1615852689 VEWZAKMUAZDKIE-DYVFJYSZSA-N 316.401 3.198 10 10 DGCE Cn1ccc(C(=O)NCc2cc(O)ccc2O)c1-c1ccccc1 1558175652 ZNHQVYKCYQLAJL-UHFFFAOYSA-N 322.364 3.033 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCN1C(C)C 1626161042 UZKKCDLDFGKXSJ-KRWDZBQOSA-N 318.461 3.394 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N1CCCC2(CCCC2)CC1 1632735987 IHUAGODZFCYYAK-UHFFFAOYSA-N 303.402 3.213 10 10 DGCE Cc1cc(Cl)c2c(c1)CCCN2C(=O)/C=C\c1cnn(C)c1 1583474955 XQYZUJQCQBVXKJ-WAYWQWQTSA-N 315.804 3.375 10 10 DGCE O=C(NCc1c(O)cccc1O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 1597568899 KEGUFMOPBPINCA-NXEZZACHSA-N 317.307 3.083 10 10 DGCE CCOC(=O)[C@@H](NCCCN=[N+]=[N-])c1cscc1Cl 1912151458 HQBYLHGXIUSMLG-JTQLQIEISA-N 302.787 3.296 10 10 DGCE [N-]=[N+]=N[C@H]1CCN(C(=O)Nc2cccc(Br)c2)C1 1912145501 HZUNKCQGWFFQOW-JTQLQIEISA-N 310.155 3.366 10 10 DGCE CN(C)c1ccc([C@H](N)c2nccn2Cc2ccccc2)cc1 11735312 BWKJVBGLQUVUQJ-SFHVURJKSA-N 306.413 3.046 10 10 DGCE CCOC(=O)[C@](C)(CCCC(F)(F)F)NCCCN=[N+]=[N-] 163632504 ANNOOVRUIQDTCK-NSHDSACASA-N 310.320 3.331 10 10 DGCE CCCCOCCCN1C(=O)/C(=C\c2ccc[nH]2)SC1=S 1858587677 UHIYVIRHEVWBBE-ACCUITESSA-N 324.471 3.423 10 10 DGCE c1cc(Cc2ccc(NN=NCCc3cnc[nH]3)cc2)ccn1 1860494974 NWGLCAUTGPZXNV-UHFFFAOYSA-N 306.373 3.417 10 10 DGCE CN(C)[C@H](CCNCc1c(O)cccc1Cl)C(F)(F)F 922752149 MYJXRIQHRLBGDF-GFCCVEGCSA-N 310.747 3.018 10 10 DGCE OCc1ccc(N(Cc2ccccc2)[C@H](CO)C2CC2)c(F)c1 1915322297 CQAVVQBWMLKKGV-LJQANCHMSA-N 315.388 3.096 10 10 DGCE CC1(CNCc2ccccc2O)CC(NC(=O)OC(C)(C)C)C1 1967884005 TYLIUWPJRNBJFO-UHFFFAOYSA-N 320.433 3.175 10 10 DGCE CN(c1ccc(CN)cc1F)C1CC(OCc2ccccc2)C1 1939604955 LCJIZEGRZYUCLB-UHFFFAOYSA-N 314.404 3.468 10 10 DGCE CC(C)(C)OC(=O)Nc1c([C@@H](CO)N=[N+]=[N-])cccc1[N+](=O)[O-] 1951355969 KSEZXZXNAIYCEI-SECBINFHSA-N 323.309 3.286 10 10 DGCE CN1CCCc2cc([C@@]3(O)CCN(Cc4ccccc4)C3)ccc21 1999520925 GDCGNXGDKJZVQB-OAQYLSRUSA-N 322.452 3.163 10 10 DGCE CNCc1ccc(N(CCOC)[C@H]2CCSC2)c(Cl)c1 2170132778 RVGOPMUCZOERSP-ZDUSSCGKSA-N 314.882 3.018 10 10 DGCE [N-]=[N+]=NCCCNC(=O)Cc1csc(-c2cccs2)n1 701307007 WPBGVBFMQGCVGJ-UHFFFAOYSA-N 307.404 3.231 10 10 DGCE CNCc1ccc(N2C[C@H]3[C@@H](C2)C3(C)C)c(Br)c1 379553295 WCZRDDSVNRZNKZ-TXEJJXNPSA-N 309.251 3.261 10 10 DGCE C[C@@H](CC1CN(Cc2cc(Cl)cc(Cl)c2O)C1)C(=O)O 2178487034 QIPBRUNIRDAYEK-QMMMGPOBSA-N 318.200 3.242 10 10 DGCE C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C1(O)CC1 2062904029 RUZKTBPGXRCHBN-CQSZACIVSA-N 311.381 3.007 10 10 DGCE COc1cccc(O)c1[C@@H](C)n1nc(C2CCCC2)cc1CO 2070185883 ATDYGQIYJMJRDH-GFCCVEGCSA-N 316.401 3.357 10 10 DGCE COC1(CN(C)c2ccc([C@H](C)O)c(Br)c2)CC1 2048926123 YSMJZPPAXQSDKR-JTQLQIEISA-N 314.223 3.118 10 10 DGCE CN(Cc1cc(Cl)cc(Cl)c1O)[C@H]1CCC[C@H](N)C1 2099836312 PGZRZNPTDKAGOO-RYUDHWBXSA-N 303.233 3.401 10 10 DGCE CCN1CCSC1=CC(C)=C1SC(=S)N(CC)C1=O 2295086374 OSLSLOGUEYOZSX-UHFFFAOYSA-N 314.501 3.051 10 10 DGCE Cc1ccc(CNC[C@H]2CC[C@@H](C)O2)c(O)c1Br 2327623526 INFHUAOHCWZZQI-ZYHUDNBSSA-N 314.223 3.120 10 10 DGCE NC[C@@H]1C[C@@H]2CC[C@H]1N2Cc1cc(Cl)cc(Cl)c1O 2330488613 BVDNGGDSDLKCKZ-LJUAHTATSA-N 301.217 3.011 10 10 DGCE C[C@@H](O)c1ccc(N2Cc3cccnc3C2)c(Br)c1 2336974621 RKKYEKYOMKJFAH-SNVBAGLBSA-N 319.202 3.418 10 10 DGCE CN(C)c1ccc(/C=C/C(=O)Nc2ccccc2C(=O)O)cc1 59432308 HLYBIFPPQZVXQI-FMIVXFBMSA-N 310.353 3.103 10 10 DGCE CN(C)c1ccc(CN2CCCC[C@H](N3CCCC3)C2)cc1 92785491 RSOKLHMRKABJBM-IBGZPJMESA-N 301.478 3.203 10 10 DGCE COc1ccc(O)c(CNc2cc(C)nc(-c3cccnc3)n2)c1 114450734 NEXQZJIRVSBRLT-UHFFFAOYSA-N 322.368 3.173 10 10 DGCE Cc1cncc(/C=C/C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)c1 128051189 XNLDFTGIOVXNNC-QPJJXVBHSA-N 323.352 3.291 10 10 DGCE Cc1ccc(Br)c(C(=O)NCc2ccc(N)cc2)c1 168975732 TVHPVXGCOGLLIY-UHFFFAOYSA-N 319.202 3.270 10 10 DGCE COc1ccccc1[C@@H](O)CN[C@H](C)c1cc(Cl)ccc1O 185096521 BQROGVWEIKDTRE-BZNIZROVSA-N 321.804 3.438 10 10 DGCE CC(C)Cn1ccnc1CN[C@H](C)c1ccc(F)c(F)c1O 187734446 NJBZJAHKCQJTOX-LLVKDONJSA-N 309.360 3.374 10 10 DGCE CCOCCN(C)[C@H](C)c1cc(Br)ccc1O 211687382 LBDVAFHCLXJPLV-SNVBAGLBSA-N 302.212 3.184 10 10 DGCE CCOc1cccc(CN[C@@H]2CCCc3nc(O)ccc32)c1O 263647603 CGPLTYUCWGMCDK-CQSZACIVSA-N 314.385 3.059 10 10 DGCE CC(C)C[C@H](C)C(=O)NCc1cccc(Br)c1O 277406355 BRKXYZZXKXNQNU-JTQLQIEISA-N 314.223 3.453 10 10 DGCE Cn1ncc2c1CCC[C@H]2NCc1cc(Cl)c(F)cc1O 293797396 BTYQILQSRRNAOS-CYBMUJFWSA-N 309.772 3.085 10 10 DGCE CNCc1ccc(N(C)[C@H]2CCN(Cc3ccccc3)C2)cc1C 310492945 HRRHGOBBCBVDFV-NRFANRHFSA-N 323.484 3.425 10 10 DGCE c1cc2c(cc1CNC[C@H]1CCN1C1CCCCC1)CCO2 527751121 HJVAWGOFLYIULC-GOSISDBHSA-N 300.446 3.118 10 10 DGCE C[C@H]1CN(c2ccc(CO)cc2Cl)C[C@](C)(C(F)F)O1 698789903 YATQSQXNROCNGB-LKFCYVNXSA-N 305.752 3.081 10 10 DGCE C[C@@H](c1cc(Cl)ccc1O)N1CCO[C@](C)(C(F)F)C1 698949438 JJHYSSNUKTWWHM-XPTSAGLGSA-N 305.752 3.463 10 10 DGCE Cc1ccc(/C=C\C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)cn1 754265335 AOWMVVYCWPLMGB-TWGQIWQCSA-N 323.352 3.291 10 10 DGCE CC(C)(C)C1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1 768444472 BQDGITDGYQYVPN-INIZCTEOSA-N 305.418 3.076 10 10 DGCE COc1cc(CN2CCC(c3ccccn3)CC2)c(O)cc1C 768462487 LXCXAFPEQMIVNE-UHFFFAOYSA-N 312.413 3.484 10 10 DGCE Oc1ccc(Cl)cc1CN1CCCC[C@@H](N2CCCC2)C1 769233952 RZQJATCEXZQPKA-MRXNPFEDSA-N 308.853 3.496 10 10 DGCE CC[S@](=O)CCN[C@H](C)c1cc(Cl)c(Cl)cc1O 774181038 DPCBIJGKXHQPQR-CVJBHZAOSA-N 310.246 3.118 10 10 DGCE Cc1nccc(CN(Cc2ccco2)Cc2ccccc2O)n1 796448398 JFLFDFDKCUBSKX-UHFFFAOYSA-N 309.369 3.286 10 10 DGCE C[C@@H](O)[C@@H](NCc1cc(Cl)cc(F)c1O)c1ccccc1 827855694 GRZSBBRLCHGOTH-MEBBXXQBSA-N 309.768 3.396 10 10 DGCE CN(C)c1ccc(/C=C/CNC[C@@H]2CCN2C(C)(C)C)cc1 850341800 ATBVTELVDHCNJW-DKFQHHCZSA-N 301.478 3.228 10 10 DGCE C[C@H](NC(=O)N[C@@H](C)c1ccccc1O)c1cncc(F)c1 868490041 MTRVAQALQBWYHA-QWRGUYRKSA-N 303.337 3.048 10 10 DGCE CC1(N2CCC2)CCN(Cc2cc(Cl)cc(F)c2O)CC1 895669766 BQOFRZFPZZQQBN-UHFFFAOYSA-N 312.816 3.245 10 10 DGCE O=C(NCc1c(O)cccc1F)C12CC(c3ccccc3)(C1)C2 928707782 IBTFJYDSCIQDOS-UHFFFAOYSA-N 311.356 3.269 10 10 DGCE C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1O 1171723043 KWHDGKNKFMHIOT-SECBINFHSA-N 320.732 3.445 10 10 DGCE CC(=O)c1cc(F)cc(CN2CCc3c(F)cccc32)c1O 1193105359 XXLBHYGINYDKCM-UHFFFAOYSA-N 303.308 3.436 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@]12CCCC[C@H]1C2 1255449664 ULETZTMUQGAQRU-QFBILLFUSA-N 315.461 3.474 10 10 DGCE COc1ccc(CN[C@@H](C)CNC(=O)/C=C/C(C)(C)C)cc1C 1266927652 LBORRIGHDDNLEH-FEAKQIBJSA-N 318.461 3.200 10 10 DGCE CC/C(C)=C\C(=O)N(CC)CCNCc1ccc(OC)c(C)c1 1320724699 NWRCTNMXSHIAQA-QINSGFPZSA-N 318.461 3.298 10 10 DGCE Cc1ccccc1-n1c(C)cc(C(=O)N(C)Cc2ncon2)c1C 1447020935 QWILGJINJSOAJB-UHFFFAOYSA-N 324.384 3.058 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2cccnc2c1 1447561501 JCZSLWWJWOAFSM-LBPRGKRZSA-N 322.364 3.007 10 10 DGCE Cc1cnc(-c2ccccc2NC(=O)c2cccc(O)c2O)[nH]1 1465949527 NZNYMWMKBDUNCQ-UHFFFAOYSA-N 309.325 3.049 10 10 DGCE C[C@H](Sc1ccc(F)cc1)C(=O)NCc1ccc(O)c(O)c1 1465953296 DZBCUAJQIPZMFL-JTQLQIEISA-N 321.373 3.034 10 10 DGCE CSC[C@@H](C)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1525106277 CWPBXIQVUYKYKP-CQSZACIVSA-N 306.475 3.244 10 10 DGCE CC[C@H](C)Oc1cc(C(=O)N[C@H](C)c2ccccc2O)ccn1 1557967174 WGFWMACZYOSLMZ-QWHCGFSZSA-N 314.385 3.456 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(-c2ccon2)c1 1639183214 KWJPLXQEVVXKSA-ALCCZGGFSA-N 322.320 3.405 10 10 DGCE CCOc1ccc(N2CCN(C[C@H](CC(C)C)OC)CC2)cc1 1653840648 LQJZXIYKOMOFSW-IBGZPJMESA-N 320.477 3.268 10 10 DGCE CCCC(C)(C)C(=O)N[C@@H](C)CNCc1ccc(OC)c(C)c1 1733009556 FLBJTSWIMMTCCL-HNNXBMFYSA-N 320.477 3.424 10 10 DGCE [N-]=[N+]=NC1CCN(C(=O)C(C(F)(F)F)C(F)(F)F)CC1 1912157175 WZOXFLNPVKSKEH-UHFFFAOYSA-N 304.194 3.029 10 10 DGCE [N-]=[N+]=NCC1CCN(CCc2ccc(Br)cn2)CC1 1912191935 YNIIMYIEBGIYGM-UHFFFAOYSA-N 324.226 3.409 10 10 DGCE Nc1ccc(NC(=O)N(Cc2ccccc2)Cc2cn[nH]c2)cc1 1916269809 SEMUXRMIATYGCZ-UHFFFAOYSA-N 321.384 3.226 10 10 DGCE Oc1c(Br)cccc1CN[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21 1917459829 STXFJXPGWGOLOX-GHMOJZLGSA-N 308.219 3.289 10 10 DGCE CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@H](N)c1ccccc1O 1928475351 WZMPWXJXCIYUKT-ZFWWWQNUSA-N 306.406 3.182 10 10 DGCE CCC1(F)CN(c2ccc([C@H](C)O)c(Br)c2)C1 1944789162 GHMAYWHUHOCFNA-VIFPVBQESA-N 302.187 3.441 10 10 DGCE OCc1ccc(N2CCCC[C@@H](F)C2)cc1Br 1946903707 KKMITENQLGQAPQ-LLVKDONJSA-N 302.187 3.270 10 10 DGCE COc1cc(Cl)cc(CN[C@@H]2CC[C@H]3[C@@H]2C3(F)F)c1O 1967819147 HHVRCDTYIDQPNC-UMNHJUIQSA-N 303.736 3.188 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@@H]1[C@H]2CCOC[C@H]21 1972262981 OZDOANSEBKWIDF-IJLUTSLNSA-N 302.201 3.071 10 10 DGCE COc1cccc(O)c1CNCCCN(C)Cc1ccccc1 1976859002 SMKVQDOUXOUZRN-UHFFFAOYSA-N 314.429 3.013 10 10 DGCE CC(C)(C)OC(=O)N1CCCC[C@@H]2[C@H](Nc3ccc(N)cc3)[C@@H]21 1977666435 MIRMRCNYERGCLB-OWCLPIDISA-N 317.433 3.469 10 10 DGCE C[C@H]1N(Cc2cccc(Br)c2O)CCC1(F)F 2004632823 JUTPUZVIFBUDAF-MRVPVSSYSA-N 306.150 3.384 10 10 DGCE CCCn1ncc(Br)c1N(C)Cc1ccc(N)cc1 2106382347 JSGXSJFIODZQNR-UHFFFAOYSA-N 323.238 3.274 10 10 DGCE CN(Cc1cc(Br)co1)C(=O)Nc1ccc(N)cc1 2113581605 RJWWKIFBPPBUDJ-UHFFFAOYSA-N 324.178 3.288 10 10 DGCE CCNCc1ccc(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@H]32)cc1Br 2117424263 PEYAKVYJWZNKCK-ATVPRXPUSA-N 321.262 3.403 10 10 DGCE Cc1sc(C)c(S(=O)(=O)Nc2ccc(O)c(F)c2)c1C 2145850310 BVQNNDOYQCHETK-UHFFFAOYSA-N 315.391 3.319 10 10 DGCE CC(C)NCc1cnc(Sc2n[nH]c(C(C)(C)C)n2)s1 2155333965 GRTHBNPTFUOCGU-UHFFFAOYSA-N 311.480 3.208 10 10 DGCE C[C@@]12CN(c3cc(Cl)c(CN)cc3F)CC[C@H]1C2(F)F 2187992494 GWMZFAQVDGFVFJ-CHWSQXEVSA-N 304.743 3.419 10 10 DGCE CN(C[C@]1(C)CCCCO1)c1cc(Cl)c(CN)cc1F 2199137899 CWGSHPDOXICHSP-HNNXBMFYSA-N 300.805 3.333 10 10 DGCE Oc1cccc(Br)c1CN[C@H]1CC2C[C@@H]3C1[C@@H]3C2 2253521680 TUATYAOWPUQQGI-NVPTZHAHSA-N 308.219 3.289 10 10 DGCE Cc1cncc(C=CC(=O)N(C[C@@H]2CCCO2)c2ccncc2)c1 2302386965 UZRZEIUSPJHLIF-SFHVURJKSA-N 323.396 3.010 10 10 DGCE Cc1ccc(CNC[C@H]2CCC=CO2)c(O)c1Br 2327621031 JDAPTGKTJHVMMI-GFCCVEGCSA-N 312.207 3.245 10 10 DGCE O=C(O)C1CCN(N=Nc2ccccc2Br)CC1 2330181855 SLPTWIAWLNVGHK-UHFFFAOYSA-N 312.167 3.244 10 10 DGCE Cc1ccc(CNC(=O)C[C@H]2C=CCC2)c(O)c1Br 2352645298 IDIBDGKVRKJHAM-NSHDSACASA-N 324.218 3.436 10 10 DGCE Oc1ccc(OC(F)(F)F)cc1CNCc1cnsc1 2361043734 NZIQYBDNYIZPRP-UHFFFAOYSA-N 304.293 3.037 10 10 DGCE O=C(Nc1ccc(Nc2ccccc2)cc1)c1cc(O)nc(O)c1 170223347 WFSKAIFFEGXGRW-UHFFFAOYSA-N 321.336 3.489 10 10 DGCE Oc1ccsc1-c1nc([C@@H]2COc3ccccc3O2)no1 115776628 IWAMAAVOIFQESV-NSHDSACASA-N 302.311 3.016 10 10 DGCE COc1ccc(C(=O)O)cc1NCc1cc(Cl)ccc1O 111310572 PTGQTGMZUUTSPQ-UHFFFAOYSA-N 307.733 3.365 10 10 DGCE Oc1ccc(CNCc2cccc(Br)c2)cc1O 42418753 FBTBQAAFSMNNMG-UHFFFAOYSA-N 308.175 3.150 10 10 DGCE CC(=O)CCC(C)(C)C(=O)NCCCSc1nccs1 132417802 IMLORMSBSAIMFC-UHFFFAOYSA-N 314.476 3.137 10 10 DGCE CNC(=O)c1cc(NCc2cc(C)ccc2O)ccc1Cl 71408134 SYBOFFYUWDEORB-UHFFFAOYSA-N 304.777 3.326 10 10 DGCE CO[C@H]1CC[C@@H](NC(=O)c2cc(C)n(-c3ccccc3)c2C)C1 189178419 MCGWAHCNVSDPEN-WBVHZDCISA-N 312.413 3.391 10 10 DGCE COc1ccc(CNCCCN(C)C(=O)OC(C)(C)C)cc1C 222029595 BLMZCUVPZOWHPE-UHFFFAOYSA-N 322.449 3.350 10 10 DGCE CC(C)n1cc(Br)cc1C(=O)NCCCN=[N+]=[N-] 42013146 VYUUVXYTNKJMRY-UHFFFAOYSA-N 314.187 3.262 10 10 DGCE [N-]=[N+]=NCCNC(=O)c1cc(Cl)cc(Br)c1 236032504 NQYXVXRFBZOHQF-UHFFFAOYSA-N 303.547 3.143 10 10 DGCE COc1cc2c(cc1OC)CCN(Cc1ccccc1O)CC2 361752834 XMVRSXROINDVQO-UHFFFAOYSA-N 313.397 3.010 10 10 DGCE CC(=O)C(=O)COC(=O)/C(C)=C\c1c(Cl)cccc1Cl 808537376 NEPHHCYWBPYQRF-VURMDHGXSA-N 315.152 3.098 10 10 DGCE CC[C@H](NCC[C@@H](C)[S@](C)=O)c1cccc(Cl)c1O 806147982 BRPSNXCNBWVZDV-KRDDEPHXSA-N 303.855 3.243 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H](C)CC(F)F)c1 827160175 LWXLGIDEEOQJMY-VHSXEESVSA-N 316.348 3.052 10 10 DGCE C[C@@H](NCC[C@@H]1CC(=O)N(C)C1)c1ccc2ccccc2c1O 903214281 UHJQQLLZGBKWMZ-ZIAGYGMSSA-N 312.413 3.064 10 10 DGCE CN(Cc1cccs1)c1ccc(CN2CC(CCO)C2)cc1 839136948 VBXVTQWLTVSIDX-UHFFFAOYSA-N 316.470 3.199 10 10 DGCE C[C@H](NCCC1(CN)CC1)c1cccc(C(F)(F)F)c1O 844922014 YYNVEZSFKONQOI-JTQLQIEISA-N 302.340 3.191 10 10 DGCE COc1cc(CN[C@@H]2CO[C@H](C3CC3)C2)c(O)c(C(C)(C)C)c1 858297140 BEYQVJAXRKUKCF-YOEHRIQHSA-N 319.445 3.355 10 10 DGCE O=C(NCCc1ccc(O)c(O)c1)c1ccc(-c2ccccc2)o1 752597012 RRVWIQIRHDSEOP-UHFFFAOYSA-N 323.348 3.330 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)/C=C3/CC[C@H](C)C3)C2)cc1 855233612 JAJPQWCZCVUXFT-USPZYKGHSA-N 314.429 3.137 10 10 DGCE Cc1cc(-c2nc(C(=O)N(C)Cc3ccccc3O)co2)ccn1 857467252 XFUGWBBEDJSRAG-UHFFFAOYSA-N 323.352 3.023 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H](Oc2ccc(N)cc2)[C@H]1C1CC1 1897325163 RLTWRTJNQMEXNP-HZPDHXFCSA-N 318.417 3.436 10 10 DGCE N[C@H]1CN(c2ccc(OCc3ccccc3)cc2)C[C@H]1C(F)F 1899861728 KGRLYCMOMRRQIY-SJORKVTESA-N 318.367 3.294 10 10 DGCE C[C@@H](NC(=O)NCc1ccccc1O)c1cc2cnccc2o1 1235735969 LSMJIHVMFJKZHR-LLVKDONJSA-N 311.341 3.094 10 10 DGCE COc1ccc(N(C)C[C@@H](N)[C@@H](C)OCc2ccccc2)cc1 706064479 SSTKOFDIGHELDA-DNVCBOLYSA-N 314.429 3.064 10 10 DGCE CC(C)(C)OCCNCc1ccc(Br)cc1O 691396661 UZPUJNUOYQHPCZ-UHFFFAOYSA-N 302.212 3.059 10 10 DGCE COC(=O)[C@H](NCCCN=[N+]=[N-])c1c(Cl)cccc1Cl 90259628 WNZCJKYUJZXYOA-LLVKDONJSA-N 317.176 3.498 10 10 DGCE CCOc1cc(N(CC)Cc2ccc(N(C)C)cc2)nc(C)n1 1458249520 WVVHEXWGDQNJTF-UHFFFAOYSA-N 314.433 3.276 10 10 DGCE Cc1[nH]nc(Cl)c1C(=O)NCc1c(O)ccc2ccccc12 1639387966 TUJYCZJCFPXGQX-UHFFFAOYSA-N 315.760 3.160 10 10 DGCE O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1ccns1 1641971736 CWHKWVAJWDZJJW-UHFFFAOYSA-N 321.365 3.105 10 10 DGCE Cc1cccc(C(=O)N2CC[C@H](N=[N+]=[N-])C2)c1Br 1912164085 RUSVRHKLOYQENI-VIFPVBQESA-N 309.167 3.282 10 10 DGCE CN[C@H](C)c1ccc(N(Cc2ccccc2)[C@@H](C)CO)cc1O 1914361035 VDYAVDLNGVIEJP-LSDHHAIUSA-N 314.429 3.060 10 10 DGCE CN(C[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32)c1ccc(CO)c(Br)c1 2134499479 CEMXZNMQVMCSMA-UKTSDXOISA-N 322.246 3.280 10 10 DGCE C[C@@H](O)CN(Cc1ccccc1)c1ccc(CN)cc1Cl 1914664207 QFUOAKOXXLRFQA-CYBMUJFWSA-N 304.821 3.186 10 10 DGCE Cc1cccc([C@@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)O)c1O 1951864302 VEYWIUJXCGMEJT-CYBMUJFWSA-N 323.389 3.377 10 10 DGCE CN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(N)cc1 1977978749 KSTAFUNHOCWCQD-AWEZNQCLSA-N 319.449 3.352 10 10 DGCE COc1ccc(CN[C@@H]2CC[C@H]2NC(=O)OC(C)(C)C)cc1C 1986711009 AAGLUOXMHWNACC-HUUCEWRRSA-N 320.433 3.149 10 10 DGCE CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)NCc1cccc(C)c1O 1994450143 PSCPMAWFACWVMK-DZGCQCFKSA-N 322.449 3.482 10 10 DGCE Nc1ccc(COc2nc(Cl)ncc2Br)cc1 2012668796 UPMLNUCNFNQHDL-UHFFFAOYSA-N 314.570 3.054 10 10 DGCE Nc1ccc(OCCC(=O)NCc2ccc(Cl)s2)cc1 71306303 WRMVRPOZBIMPJH-UHFFFAOYSA-N 310.806 3.069 10 10 DGCE CC1(C)[C@@H]2CNC[C@H]2CN1Cc1cc(Cl)cc(Cl)c1O 90334329 LZAAJPYJNFXFFF-CMPLNLGQSA-N 315.244 3.129 10 10 DGCE Oc1cc(Br)ccc1CN[C@@H]1COc2ccccc21 691418323 ZSVBQHOZWQJLHT-CYBMUJFWSA-N 320.186 3.378 10 10 DGCE CNCc1ccc(N2CC[C@@H](SC)C2)c(Br)c1 382898603 BJMVBSSHWZKEDR-LLVKDONJSA-N 315.280 3.110 10 10 DGCE C[C@@H]1SC[C@H]([C@@H](O)c2ccc3c(c2)CCN3C)S[C@@H]1C 2163063877 TWTCBJCHFDGGIZ-TZCMFKBTSA-N 309.500 3.338 10 10 DGCE COc1ccc(N2CCN[C@H](CC(F)(F)F)C2)cc1Cl 2203003690 WCFBWKUOVZRHJB-SECBINFHSA-N 308.731 3.079 10 10 DGCE Cc1ccc(CNCc2cnc(C(F)(F)F)s2)c(O)c1 2204634199 QYTKZAGHXPJBRA-UHFFFAOYSA-N 302.321 3.466 10 10 DGCE COc1ccc(Br)c(CNCC[C@@H]2C[C@H]2C)c1O 2220462759 QMERBUVZYFRIPF-NXEZZACHSA-N 314.223 3.299 10 10 DGCE CC[C@@H](O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1 2244233643 ZIVCYAMLMOKVPU-MRXNPFEDSA-N 320.433 3.187 10 10 DGCE Cc1nc2c(s1)CCN(c1ccc(CN)c(Cl)c1)CC2 2287242973 NLXIQCBRDAIGRK-UHFFFAOYSA-N 307.850 3.169 10 10 DGCE CC1=NN(c2ccc(C)cc2)C(=O)C1=CNCc1ccccc1 2296646572 XDHWCJOEXBURCE-UHFFFAOYSA-N 305.381 3.391 10 10 DGCE C[C@H](NC(=O)C=Cc1ccc(O)c(O)c1)[C@H](C)c1ccccc1 2307989949 NTXSPAHZFBFRGY-KBPBESRZSA-N 311.381 3.419 10 10 DGCE CC(=O)c1cccc(N=NN2CCN(c3ccccn3)CC2)c1 2330203037 ZHHXYGGIZATXCX-UHFFFAOYSA-N 309.373 3.105 10 10 DGCE CN(C(=O)Cc1ccc(Br)cc1)c1ccc(N)cc1 20374063 QZLKTHNMJGCGAU-UHFFFAOYSA-N 319.202 3.237 10 10 DGCE Oc1c(Br)cccc1CNCCc1ccccc1 42411654 CUKCXWZLJCTVAD-UHFFFAOYSA-N 306.203 3.487 10 10 DGCE CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1ccc(C(=O)O)cc1 97578137 JZEIMWMFKPFPEG-GZTJUZNOSA-N 320.348 3.499 10 10 DGCE Nc1ccc(NC(=S)NCCc2cccc(Cl)c2)cc1 166952437 QTLVOYWHFILTCM-UHFFFAOYSA-N 305.834 3.451 10 10 DGCE Cc1c(/C=C/C(=O)N2CCCc3cccc(Cl)c32)cnn1C 179077781 CCIFLWMFFWHFAL-CMDGGOBGSA-N 315.804 3.375 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1CCCN1Cc1cc(F)ccc1O 180218040 QRXSHMWOIAZCMZ-AWEZNQCLSA-N 324.396 3.020 10 10 DGCE Cc1ccc([C@H](C)NC2CC(NC(=O)OC(C)(C)C)C2)c(O)c1 227578567 NNJPZCPEANYKPA-HSBZDZAISA-N 320.433 3.407 10 10 DGCE CC[C@H](CNC(=O)OC(C)(C)C)NCc1cc(C)ccc1O 227723291 UGYLPKNDCMMOFE-CQSZACIVSA-N 308.422 3.094 10 10 DGCE CCC[C@H](CNC(=O)OC(C)(C)C)NCc1cccc(C)c1O 227764365 VAZBUBUXKXZWNH-OAHLLOKOSA-N 322.449 3.484 10 10 DGCE COc1ccc2c(c1)N(C(=O)/C=C\c1cncc(C)c1)C[C@@H](C)O2 255233473 LWZDJAGUYKLCML-HJHHMULASA-N 324.380 3.226 10 10 DGCE COC(=O)[C@H]1CCN(Cc2cc(-c3ccccc3)ccc2O)C1 271101833 PPAKKKIPTXTYRR-INIZCTEOSA-N 311.381 3.054 10 10 DGCE C/N=[N+](/[O-])c1cc(Br)cc(Br)c1N 307229455 MKCAFQFHZCUXKT-VAWYXSNFSA-N 308.961 3.018 10 10 DGCE CC(C)n1ncc2c1C[C@@H](NCc1ccc(N(C)C)cc1)CC2 365135920 NAFSXAWDVBJSNR-KRWDZBQOSA-N 312.461 3.177 10 10 DGCE CCOc1cccc(CN2CCCC[C@H](CCOC)C2)c1O 368678848 VFDUDQWLOOXTKJ-OAHLLOKOSA-N 307.434 3.430 10 10 DGCE Nc1ccc(OCCCN2C[C@H](c3ccccc3)OC2=O)cc1 585886298 KCTSVMNMIYDLSQ-QGZVFWFLSA-N 312.369 3.231 10 10 DGCE CCc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1F 588408574 HCACETZWNROZEN-YWEYNIOJSA-N 301.317 3.451 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C\C1CCCCC1 588506447 GLLGDACHCYRQKI-CHOZFAJLSA-N 303.402 3.282 10 10 DGCE CSC1CC(N(C)c2ccc(CN)c(C(F)(F)F)c2)C1 707081273 VZOYBVVKDRMZIJ-UHFFFAOYSA-N 304.381 3.494 10 10 DGCE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1CNCc1ccccc1O 708551277 KFHBBYFMQFTGRR-APWZRJJASA-N 310.441 3.250 10 10 DGCE CC[C@@H]1C[C@@H](N(C)Cc2cccc(Br)c2O)CO1 711183185 VLBOMSMMDZOUSP-VXGBXAGGSA-N 314.223 3.154 10 10 DGCE Clc1cc(CNC2CC2)ccc1N1C[C@H]2CSC[C@@H]2C1 711607051 HWVMDINQJJFVTG-STQMWFEESA-N 308.878 3.391 10 10 DGCE O=C(c1cc(O)cs1)N1CCC[C@H](CN2CCCCCC2)C1 732286314 QPJWKHXZZZHRQS-CQSZACIVSA-N 322.474 3.182 10 10 DGCE CO[C@H](C)CN(Cc1cc(Cl)cc(C(C)=O)c1O)C(C)C 750048980 QIBBKYXSNNDUTF-LLVKDONJSA-N 313.825 3.494 10 10 DGCE COc1nn(C)cc1NCc1cc(-c2ccccc2)ccc1O 788971854 QQIWRJDMBMIAKT-UHFFFAOYSA-N 309.369 3.413 10 10 DGCE CCOC(=O)[C@@H]1CC[C@H](N[C@@H]2C[C@@H](C)c3c(F)ccc(O)c32)C1 798002824 SZPQTQJSTRUDTJ-NRWUCQMLSA-N 321.392 3.401 10 10 DGCE C[C@@H](NC1(C(F)F)CC1)c1ccc(N2CCOCC2)c(F)c1 800503276 QTZOFEDYRISKFO-LLVKDONJSA-N 314.351 3.111 10 10 DGCE CSc1cnc(NCc2ccc(N3CCCC3)cc2)nc1 804349520 JBFMZBSKFQGEDQ-UHFFFAOYSA-N 300.431 3.411 10 10 DGCE O=C(NCc1ccc(C2CC2)cc1F)c1cccc(O)c1O 816790542 DWUUJZFAVOZLAW-UHFFFAOYSA-N 301.317 3.044 10 10 DGCE C[C@H](O)[C@H](NCc1cc(Cl)c(F)cc1O)c1ccccc1 827855459 DIMBBWYAQSXKTH-QFYYESIMSA-N 309.768 3.396 10 10 DGCE O=C(NCc1cccc(Br)c1O)[C@@H]1CCC[C@H]2C[C@@H]21 834475816 DZGUQJMTOMLCQP-WCQGTBRESA-N 324.218 3.207 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@]2(CO)CCc3ccccc32)cc1 835042313 SNXMADHFDIIQPX-LYSGITKLSA-N 322.452 3.189 10 10 DGCE CC(=O)NCC[C@@H]1CCCN(Cc2c(O)cc(C)cc2Cl)C1 840945260 GVROHOFODQLOAI-AWEZNQCLSA-N 324.852 3.092 10 10 DGCE COC(=O)CC1(NCc2cc(-c3ccccc3)ccc2O)CC1 846026584 GDNACISOMRYIDJ-UHFFFAOYSA-N 311.381 3.245 10 10 DGCE C[C@@H](NCc1ccc(N(C)C)c(F)c1)[C@](C)(O)c1ccccc1 846035743 DIJWPHRGMLTXKD-KUHUBIRLSA-N 316.420 3.278 10 10 DGCE COc1ccc2c(c1)N(C(=O)/C(C)=C/c1cccnc1)C[C@@H](C)O2 846888204 GUYLULXEYVLJBL-KADHNRKRSA-N 324.380 3.308 10 10 DGCE CC[C@@H](NC[C@@H]1CCC(=O)N1)c1cc(Cl)cc(Cl)c1O 850548215 ZBJUFJVEVNTHSE-JOYOIKCWSA-N 317.216 3.018 10 10 DGCE CCC(CC)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 852068992 SWSHZUYXFMVWMU-OAHLLOKOSA-N 319.449 3.009 10 10 DGCE COc1ccc(N2CC[C@H](Nc3ncc4c(n3)CCCC4)C2)cc1 853760361 JZZHSFBEUDHFGC-HNNXBMFYSA-N 324.428 3.055 10 10 DGCE C[C@H](NC[C@@H]1c2ccccc2C(=O)N1C)c1ccc(N(C)C)cc1 858528894 HBUTUKKSTSTCOC-IFXJQAMLSA-N 323.440 3.230 10 10 DGCE C[C@H](CCOc1ccccc1)C(=O)N1Cc2cccc(O)c2C1 871202484 JCDQTAMMFFUSTO-CQSZACIVSA-N 311.381 3.340 10 10 DGCE CC[C@H](N[C@@H]1CCCN2CCSC[C@H]12)c1ccc(C)cc1O 903269679 AZEHAWCAFPAVOR-GVDBMIGSSA-N 320.502 3.321 10 10 DGCE Cc1ccc(C(=O)N2CC3(CCC3)[C@H]2c2cccnc2)c(O)c1O 912040809 JHAOBSCWLRLOFV-QGZVFWFLSA-N 324.380 3.169 10 10 DGCE O=C(CCc1ccc(Cl)c(F)c1)NCc1cccc(O)c1O 1153798671 VORSEMUQCBJQCE-UHFFFAOYSA-N 323.751 3.139 10 10 DGCE CCCN(CCC)CCCC(=O)NCc1c(O)cccc1F 1178413682 VVWOXNHBWRQOPI-UHFFFAOYSA-N 310.413 3.050 10 10 DGCE CCC1(C(=O)N[C@@H](C)[C@H](C)NCc2ccc(OC)c(C)c2)CC1 1282184376 JDWOUNFKIHNGMM-GJZGRUSLSA-N 318.461 3.177 10 10 DGCE C[C@H](NC(=O)/C=C\c1ccc2c(c1)OCO2)c1ccccc1O 1302538489 SIINHHXECCUURS-UPZNUWHASA-N 311.337 3.012 10 10 DGCE Cc1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(F)c1F 1447561009 HGEZFKZATUFHPX-SNVBAGLBSA-N 321.323 3.045 10 10 DGCE COc1ccc(N(C)CC(=O)Nc2ccc(F)c(F)c2)cc1 1473613534 UZZHGKMSCFEFJY-UHFFFAOYSA-N 306.312 3.048 10 10 DGCE C[C@H](NC(=O)c1cc2ccccc2c(O)n1)c1ccccc1O 1557968044 QKVKDXBPZOEZSZ-NSHDSACASA-N 308.337 3.137 10 10 DGCE CC(C)C1CCC(CNC(=O)Cc2ccc(O)c(O)c2)CC1 1566321448 WZTANFIWQCBOPC-UHFFFAOYSA-N 305.418 3.219 10 10 DGCE CC(C)c1[nH]ccc1C(=O)NCc1ccc2cccnc2c1O 1627073893 ZKYKVIVMQAUARI-UHFFFAOYSA-N 309.369 3.322 10 10 DGCE O=C(NCc1cccc(Cl)c1O)N[C@H]1C[C@H]2C=C[C@H]1CC2 1638628488 JCHXNOAYVNJORT-MJVIPROJSA-N 306.793 3.200 10 10 DGCE O=C(CCc1ccc(Cl)s1)NCc1c(O)cccc1F 1645048391 UKMDABWKWGUFMM-UHFFFAOYSA-N 313.781 3.495 10 10 DGCE CCCn1c(N(C)Cc2ccccc2O)nnc1C(C)(C)C 1709756943 IJZZNEGLUIJQDG-UHFFFAOYSA-N 302.422 3.328 10 10 DGCE COCCN(CCOC)/N=N/c1ccc(OC(F)(F)F)cc1 1860488021 ZNWRYTAEHFVFLF-ISLYRVAYSA-N 321.299 3.179 10 10 DGCE CN(Cc1ccccc1O)c1cc(Br)ccc1CN 1877528229 CCGZHKOXRKLTQE-UHFFFAOYSA-N 321.218 3.250 10 10 DGCE C[C@@H](CCNC(=O)OC(C)(C)C)N[C@H]1CCc2cccc(O)c21 1937008853 JZKVFEUOUMXNAZ-JSGCOSHPSA-N 320.433 3.272 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@]21[C@H](N)c1ccccc1O 1937347183 UDSPGFUOBFADFY-WBHUJUFNSA-N 318.417 3.182 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CCCN2CCN=[N+]=[N-])C1 1962305242 RLKAZRROQSRVKO-STQMWFEESA-N 309.414 3.018 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CC[C@H]2Nc1ccc(N)cc1 1977658587 BUFWUXZWANEEEK-DAXOMENPSA-N 317.433 3.469 10 10 DGCE CN(Cc1ccc(N)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1977924346 DZBYDLBKQKOAHM-MRXNPFEDSA-N 319.449 3.100 10 10 DGCE CC(C)(C)OC(=O)N[C@]12CCCC[C@@H]1CN(CCCN=[N+]=[N-])C2 1982242026 KENSSRDSVFVSTE-CJNGLKHVSA-N 323.441 3.456 10 10 DGCE C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CN1CCCCN=[N+]=[N-] 1982246797 ZIZKXSWVKWTTMY-HZSPNIEDSA-N 323.441 3.264 10 10 DGCE CSCC1CN(c2ccc([C@H](C)O)c(Br)c2)C1 1998203630 IRENZUCIBSNEAA-VIFPVBQESA-N 316.264 3.302 10 10 DGCE O[C@@H]1CCCc2cc(N3CCN(Cc4ccccc4)CC3)ccc21 2012685241 JDMWNLPYDZGHIN-OAQYLSRUSA-N 322.452 3.379 10 10 DGCE Cc1cc([C@H](N)c2ccc(N(C)C)cc2)oc1Br 2044719482 PIXXVXRUVMWFQW-CYBMUJFWSA-N 309.207 3.465 10 10 DGCE CN(C)Cc1cc(C2CCCC2)n(-c2ccc(O)c(O)c2)n1 2069927743 CMUJCNBJTHIAOZ-UHFFFAOYSA-N 301.390 3.003 10 10 DGCE OCc1c(C2CC2)nn(Cc2cccc(F)c2O)c1C(F)F 2079127154 KEGTUCWABCZYOP-UHFFFAOYSA-N 312.291 3.083 10 10 DGCE Cc1cccc(O)c1Cn1[nH]c(=N)c(Cl)c1C(F)(F)F 2079174366 JHKASGXSFOXICK-UHFFFAOYSA-N 305.687 3.030 10 10 DGCE COCCSCCNCc1cc(Cl)cc(Cl)c1O 2084106071 RGTKXBIMSLYPQS-UHFFFAOYSA-N 310.246 3.168 10 10 DGCE C[C@@H](O)c1ccc(N(C)Cc2cc(Br)cn2C)cc1 2114686468 MZNSTJPTRNONGO-LLVKDONJSA-N 323.234 3.477 10 10 DGCE [N-]=[N+]=NCC1(CNC(=O)c2cc(Cl)nc(Cl)c2)CC1 2117726391 ACKGIDOQXIIHLG-UHFFFAOYSA-N 300.149 3.209 10 10 DGCE C[C@H]1[C@@H](NCc2cc(Cl)cc(Cl)c2O)C2CCN1CC2 2192787464 KPDRBXLEXSVFEK-LKFCYVNXSA-N 315.244 3.271 10 10 DGCE CS[C@H](CNCc1ccc(Br)cc1O)C1CC1 2212995835 SEBNWMSNMLGPTE-CYBMUJFWSA-N 316.264 3.386 10 10 DGCE COc1ccc(Br)c(CN[C@H](C)[C@H]2C[C@@H]2C)c1O 2220462537 MUWJWHHOCBBWLB-AEJSXWLSSA-N 314.223 3.297 10 10 DGCE Cc1ccc(C=C2SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 2296663336 BZSZTZKQUOLFPJ-CYBMUJFWSA-N 319.451 3.375 10 10 DGCE CCN1N=C(c2ccc(OC)cc2)C(=Cc2ccccc2)C1=O 2332094490 LTRNHBHKXBPGBW-UHFFFAOYSA-N 306.365 3.345 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@H]1O[C@H]2CC[C@H]1C2 2352698450 BBTSATWAYXSWQO-LJUAHTATSA-N 302.201 3.356 10 10 DGCE Nc1ccc(OCC(=O)c2ccc(Br)cc2)cc1 31897677 CAEJQFJGZKFZNK-UHFFFAOYSA-N 306.159 3.293 10 10 DGCE Nc1ccc(O)c(CNC(=O)c2cccc(Cl)c2Cl)c1 36737504 UMEQWMJCVMLCDM-UHFFFAOYSA-N 311.168 3.211 10 10 DGCE O=C(O)c1cc2c3c(c1O)[C@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21 39372624 BOLUFUFJWZLKGZ-NDBYEHHHSA-N 309.365 3.243 10 10 DGCE CCCNCc1ccc(OC)c(CN(C)CC(F)(F)F)c1 50124970 USHFQJKSJDZCJO-UHFFFAOYSA-N 304.356 3.189 10 10 DGCE Cc1ccc(OCc2ccc(Br)cc2F)c(N)n1 50441026 NRAVBHPZONEDAD-UHFFFAOYSA-N 311.154 3.453 10 10 DGCE CCOC(=O)[C@](C)(C[C@H](C)Sc1nccs1)NC1CC1 68639653 SWBCDEHWRRFVDT-HZMBPMFUSA-N 314.476 3.088 10 10 DGCE CCCOc1ccc(CN(CCOC)Cc2ccco2)c(O)c1 92562456 TVJQMHADGFGNAB-UHFFFAOYSA-N 319.401 3.423 10 10 DGCE Nc1ccc(Nc2ncc([N+](=O)[O-])cc2Br)cc1 93433767 XOXJQQQGKPHOOV-UHFFFAOYSA-N 309.123 3.078 10 10 DGCE CC[C@@H](C)[C@H](O)[C@H](N)c1ccc(OCc2ccccc2)cc1O 95814267 KPKTVZPTGHAEON-ZNOIYHFQSA-N 315.413 3.378 10 10 DGCE C[C@@H](N[C@H](C)c1ccccc1O)c1ccc(-n2cncn2)cc1 153959467 CNTPUJJWZPERGC-ZIAGYGMSSA-N 308.385 3.385 10 10 DGCE CC[C@H]1CN(c2ccc(CNCCOC)cc2C)CCS1 157796217 RJWXLOTVPVTSRM-INIZCTEOSA-N 308.491 3.063 10 10 DGCE C[C@@H](NCCOc1ccc(C#N)cc1)c1ccc(F)c(F)c1O 187789727 ZEPSKKGZHRNOPH-LLVKDONJSA-N 318.323 3.272 10 10 DGCE CC(C)(C)OC(=O)n1ccnc1CCCc1ccc(N)cc1 203835086 GTNROAHYUHLWRQ-UHFFFAOYSA-N 301.390 3.424 10 10 DGCE COc1cc(CNCc2ccccn2)ccc1N1CCCCC1 212696293 NOZYBIMYBZCJGT-UHFFFAOYSA-N 311.429 3.370 10 10 DGCE CN[C@H](c1ccccc1O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 259965163 RKYGAZHHDDHMGY-BBRMVZONSA-N 320.433 3.300 10 10 DGCE Cc1cc(C)n(CCCNCc2cc(Cl)c(F)cc2O)n1 293506709 AGZKQWGEIQYHFS-UHFFFAOYSA-N 311.788 3.178 10 10 DGCE C[C@H](NCc1cc2c(cc1O)OCO2)[C@@H]1CC2CCC1CC2 381889131 LDAOPQLFCKNVBM-CLTVBZQCSA-N 303.402 3.425 10 10 DGCE CC1(C)CN(Cc2ccc(N)cc2)CCN1Cc1ccccc1 382669033 RXMBXRZQPMOYII-UHFFFAOYSA-N 309.457 3.365 10 10 DGCE CNCc1ccc(N(C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1 382766278 FTHOERCNMVOQAA-FQEVSTJZSA-N 323.484 3.364 10 10 DGCE C[C@H](N)c1ccc(N(C)CCOCc2ccccc2)cc1O 384135393 VEROKTLLPNNMLK-AWEZNQCLSA-N 300.402 3.065 10 10 DGCE COc1cccc(CNC(=O)C2(C)CCC(F)(F)CC2)c1O 528864372 ZGTIGGYSCIIPFJ-UHFFFAOYSA-N 313.344 3.233 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CC(C)(C)OC2(C)C)c1 528864396 ZPPASONIMFAWQP-SMDDNHRTSA-N 321.417 3.172 10 10 DGCE C[C@H](NCc1ccc(Br)cc1O)c1ccncc1 691443494 HWZLYCMFACBSFM-JTQLQIEISA-N 307.191 3.401 10 10 DGCE C[C@@]12CN(Cc3ccccc3)C[C@@H]1CN(c1ccc(CN)cc1)C2 702121344 YEASFPHJEWRYNV-CTNGQTDRSA-N 321.468 3.104 10 10 DGCE Oc1c(CNc2ccc(Br)nc2)ccc(F)c1F 703294877 WLBDBKHFIIERBG-UHFFFAOYSA-N 315.117 3.440 10 10 DGCE Oc1c(F)cc(Br)cc1CNC[C@@H]1C=CCC1 715790739 CUHLFGFHMXQSAE-SECBINFHSA-N 300.171 3.350 10 10 DGCE Cc1ccc(N2C(=O)/C(=C\c3cn[nH]c3)SC2=S)cc1 751527002 QLXHWSPQVMHDRE-WUXMJOGZSA-N 301.396 3.124 10 10 DGCE C[C@H](NCCN1[C@@H](C)CCC[C@H]1C)c1cc([N+](=O)[O-])ccc1O 756555700 UVHLGHRHYCDPEM-MJBXVCDLSA-N 321.421 3.214 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)Cc1cc(OC)cc(C)n1 757087991 SFOVTHSNACTOCX-UHFFFAOYSA-N 313.445 3.487 10 10 DGCE CCOc1ccc(O)c(CN2CC[C@@H](C(C)(C)C)[C@H](O)C2)c1 757865453 GPKIGEWQFRMYRT-NVXWUHKLSA-N 307.434 3.020 10 10 DGCE COC(=O)/C=C\c1ccc(N2CCCC[C@@H](C)C2)c([N+](=O)[O-])c1 772210528 CEXKHQAVAIKHMP-FNOHHLHBSA-N 318.373 3.407 10 10 DGCE CC(C)[C@@H]1CCCC[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 779514206 ZNIALPRYGZPPTJ-AZHOBDGFSA-N 303.402 3.442 10 10 DGCE Cc1cc(C)c(O)c(CN2C[C@@H](C(F)(F)F)OC[C@@H]2C)c1 795689835 GOTXJUATXSPTBY-AAEUAGOBSA-N 303.324 3.161 10 10 DGCE COc1cc(O)c(CN2CCCC[C@@H]2C(F)F)cc1OC 800533037 DZTYEGIVPKMGAA-LLVKDONJSA-N 301.333 3.029 10 10 DGCE C[C@H]1C[C@@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1O 804913240 IDSZQVKQKWZDJN-JGVFFNPUSA-N 303.189 3.154 10 10 DGCE C[C@@H](NCc1ccc2ccccc2c1O)C(=O)OC(C)(C)C 816571213 WBNRABHWAZHJAM-GFCCVEGCSA-N 301.386 3.365 10 10 DGCE Cc1ccc(CN(CC2CC2)C(=O)c2cc(O)cs2)cn1 844148544 WANNFNWGDUZGBR-UHFFFAOYSA-N 302.399 3.210 10 10 DGCE CCc1cccc(CNC[C@@H]2CN(C)C[C@H]2c2ccccc2)c1O 848919923 VULUMQFDPYAUBR-UXHICEINSA-N 324.468 3.390 10 10 DGCE CCC1(CN[C@@H]2CCN(c3ccc(OC)cc3)C2)CCOCC1 850346584 HJXHCSWACCVZAI-MRXNPFEDSA-N 318.461 3.070 10 10 DGCE Cc1ccc([C@H](C)NC[C@]23OCCC[C@H]2C3(F)F)c(O)c1C 850533141 RGCPTBJQMZIAQH-BJJXKVORSA-N 311.372 3.474 10 10 DGCE CC[C@H](C)[C@@H](C)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 852007332 ADJNSGRLCKZIFG-ZNMIVQPWSA-N 319.449 3.008 10 10 DGCE Cc1cc(C(=O)NC[C@@]2(C)CC2(F)F)c(C)n1-c1ccccn1 855798046 BAJJVJMBSRCQCG-MRXNPFEDSA-N 319.355 3.264 10 10 DGCE CCCc1ncc(CNCc2cc(F)c(N(C)C)cc2F)o1 858173912 JEJTZQNHWWGKHU-UHFFFAOYSA-N 309.360 3.261 10 10 DGCE CC[C@@H](Oc1ccccc1C)C(=O)N1Cc2cccc(O)c2C1 871204324 YAMAKFQHVPWUNE-QGZVFWFLSA-N 311.381 3.400 10 10 DGCE C[C@H](NC[C@@H]1CC[C@H](C(F)(F)F)O1)c1ccc(F)cc1O 903179566 QRKWEUKMYXKFHD-GMOODISLSA-N 307.287 3.292 10 10 DGCE COc1cccc([C@H](C)N[C@H](CO)CCc2ccccc2)c1O 903288129 KHEZXIOEUCJHGB-HOCLYGCPSA-N 315.413 3.045 10 10 DGCE Cc1cc(Cl)cc([C@@H](C)NC[C@@H]2CNCCC2(F)F)c1O 925776483 KRXCGBZOZSSTRF-MNOVXSKESA-N 318.795 3.249 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H]1CC1CCCC1 1164105366 WNELFKCZMDEZAG-OAHLLOKOSA-N 303.402 3.212 10 10 DGCE COc1ccc(CNCC[C@@H](C)NC(=O)CC2(C)CC2)cc1C 1482856975 VBQIBRRACYODLQ-OAHLLOKOSA-N 318.461 3.178 10 10 DGCE CC(=O)c1cccc(C(=O)NCc2ccc3cccnc3c2O)c1 1570533961 YNVOBBFIQQKIKW-UHFFFAOYSA-N 320.348 3.073 10 10 DGCE C[C@@H](NC(=O)c1ccc(P(C)(C)=O)cc1)c1ccccc1O 1587447006 GPTKCRSDQXQOAM-GFCCVEGCSA-N 317.325 3.131 10 10 DGCE CCN(CCOC1CC1)Cc1cc(Br)ccc1O 1641892595 JCJUQKBFHYOSJL-UHFFFAOYSA-N 314.223 3.156 10 10 DGCE O=C(NCc1cc(O)ccc1O)C1(c2cccc(Cl)c2)CC1 1643879256 IBWUBWDOLMRJTG-UHFFFAOYSA-N 317.772 3.099 10 10 DGCE CC[C@@H](Oc1ccccc1C)C(=O)NCc1c(O)cccc1F 1645048331 QHSREBNWMGOVGJ-MRXNPFEDSA-N 317.360 3.314 10 10 DGCE Cc1cc(F)ccc1[C@@H](C)NC(=O)c1c(F)ccc(O)c1O 1649025841 CYEGRCFOGYLPSZ-SECBINFHSA-N 307.296 3.175 10 10 DGCE C[C@H](N[C@H](C)c1ccccc1O)c1nc(-c2cccnc2)no1 1655349801 TUGPMXJSURWFLU-NEPJUHHUSA-N 310.357 3.249 10 10 DGCE COc1ccc(CN[C@@H](C)CNC(=O)[C@@H](C)C2CCC2)cc1C 1714247027 OIMHKJMVDZXCLP-GJZGRUSLSA-N 318.461 3.034 10 10 DGCE CN[C@H](C)c1cnc(SCCNC(=O)OC(C)(C)C)s1 1883313840 HDIZHEDPNMDTQO-SECBINFHSA-N 317.480 3.040 10 10 DGCE Cc1c(I)cc(CN=[N+]=[N-])cc1C=O 1887519984 WSPOACJWQKDKLP-UHFFFAOYSA-N 301.087 3.222 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCN(Cc2nc(Br)cs2)C1 1902657479 XVUGBDLGDSKEBX-ZETCQYMHSA-N 302.201 3.038 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@H](Oc1ccc(N)cc1)C2 1904369744 IVNOWSMQVXXZDQ-VBNZEHGJSA-N 318.417 3.436 10 10 DGCE C[C@H](O)c1ccc(N(C)CCOC2CC2)c(Br)c1 1914520309 HHFXVKGOKPWRJX-JTQLQIEISA-N 314.223 3.118 10 10 DGCE CC(C)(C)OC(=O)N1CC(CCC[C@@H](N)c2ccccc2O)C1 1936970449 MCWXZJQAWPNYON-OAHLLOKOSA-N 320.433 3.429 10 10 DGCE C[C@@H]1CN(Cc2cc(Br)cc(F)c2O)C[C@H]1F 1947374617 URLSIQVNQZKZAA-RDDDGLTNSA-N 306.150 3.084 10 10 DGCE Cc1cccc([C@H]2[C@@H](N)CCCN2C(=O)OC(C)(C)C)c1O 1952606377 DIQMWSQNNUOGLT-KBPBESRZSA-N 306.406 3.100 10 10 DGCE CN(C[C@@H]1CCCN1c1ccc(N)cc1)C(=O)OC(C)(C)C 1959570383 GYIDDZOBGLJZBX-HNNXBMFYSA-N 305.422 3.105 10 10 DGCE C[C@H]1[C@H](NCc2ccc(F)cc2O)CCN1Cc1ccccc1 1964572252 MJJMTMNYWJZTQQ-KBXCAEBGSA-N 314.404 3.284 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](Oc2ccc(N)cc2)C2(CC2)C1 1992448196 ZNBWXHIBNNPWKB-HNNXBMFYSA-N 318.417 3.437 10 10 DGCE CN[C@@H](C)c1ccc(N2CC(CF)C2)cc1Br 1996948428 RMVQZXYKJALSAX-VIFPVBQESA-N 301.203 3.135 10 10 DGCE CCN[C@H](CSc1nccs1)c1cc(OC)ns1 2028837079 QCHHSIWFBLFDEX-MRVPVSSYSA-N 301.462 3.051 10 10 DGCE CCCOC1CN(c2ccc([C@H](C)O)c(Br)c2)C1 2040860750 XSQGUBCYSSYMAA-JTQLQIEISA-N 314.223 3.118 10 10 DGCE CC[C@@H](N[C@@H](CF)COC)c1cc(Br)ccc1O 2053071801 SICVDGDSCHNUQV-CMPLNLGQSA-N 320.202 3.180 10 10 DGCE C[C@H](N)c1ccc(N2C[C@@H](F)C[C@@H](F)C2)cc1Br 2062396701 OKGRDGKZACNXRC-LPEHRKFASA-N 319.193 3.355 10 10 DGCE C[C@H](c1cc([N+](=O)[O-])ccc1O)n1ncc(C2CCC2)c1O 2070248699 CKLGYPOJURVMOD-SECBINFHSA-N 303.318 3.079 10 10 DGCE CCc1nn(Cc2cc(C)ccc2O)c(C(F)(F)F)c1C=O 2078892046 FCDAMOCCMNZOLW-UHFFFAOYSA-N 312.291 3.339 10 10 DGCE Cc1ccc([C@@H](C)n2nc(C3CC3)c(C(N)=O)c2Cl)c(O)c1 2078999582 RPWCLRMRDYAMLT-SECBINFHSA-N 319.792 3.136 10 10 DGCE Cc1c(C2CC2)nn(Cc2c(O)cccc2Br)c1N 2079743394 FUBYDYCJASYMLA-UHFFFAOYSA-N 322.206 3.168 10 10 DGCE CC[C@@H](c1cc(C)c(C)cc1O)n1nc(C2(C)CC2)c(N)c1N 2080007411 OLSBZQKOGREOCH-ZDUSSCGKSA-N 314.433 3.421 10 10 DGCE C[C@@H]1CN(c2ccc(CN)cc2Br)CCC1(F)F 2085355217 FJGRSBCAMPEFMR-SECBINFHSA-N 319.193 3.389 10 10 DGCE CNCc1ccc(N(C)C[C@@]2(F)C[C@@H]2C)c(Br)c1 2085441472 YFDDCZUTKSRQDY-HZMBPMFUSA-N 315.230 3.353 10 10 DGCE CN[C@H](c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(Cl)s1 2163127422 OTYMDEGHBQCWEN-CABCVRRESA-N 310.850 3.462 10 10 DGCE C[C@@H](N)c1ccc(N(C)C[C@]2(C)CSCCO2)cc1Cl 2201254913 PIOAYAIGDRMEID-IAQYHMDHSA-N 314.882 3.318 10 10 DGCE COc1cc(Cl)cc(CN[C@@]23CCC[C@@H]2CSC3)c1O 2201966495 NTORIHVHBGZRHT-IAQYHMDHSA-N 313.850 3.430 10 10 DGCE O=C1NC(=O)N(C2CCCCC2)C(=O)C1=CC=Cc1ccccc1 2297341925 VJGITCDMOMKAQD-UHFFFAOYSA-N 324.380 3.037 10 10 DGCE Cc1ncc(C=CC(=O)N2CCN(C)c3cc(F)ccc32)s1 2297707104 FGOMRDNJLNLOKX-UHFFFAOYSA-N 317.389 3.087 10 10 DGCE CON(Cc1ccc(C)c(Br)c1O)C1CCC1 2307471676 MWABYIUQZXQQND-UHFFFAOYSA-N 300.196 3.379 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)n1 2335601600 VTZIEMWGIAEVMK-QMMMGPOBSA-N 300.149 3.303 10 10 DGCE CCCC(=O)c1cc2c(c(O)c1C)C(=O)C(=O)c1c(O)cccc1-2 5972857 YJQYHFMKGAVKDP-UHFFFAOYSA-N 324.332 3.435 10 10 DGCE biogenic,in-vivo CN(C)[C@@H](c1ccc(O)cc1O)c1c[nH]c2ccc(F)cc12 71707572 HYHMISPHZNJAOO-KRWDZBQOSA-N 300.333 3.369 10 10 DGCE COc1ccc(-c2nccn2Cc2ccc(N)cc2)cc1OC 82735797 CUCMRWVJBBBMPW-UHFFFAOYSA-N 309.369 3.198 10 10 DGCE CNCc1ccc(N(C)[C@H]2CCO[C@H]2C)c(C(F)(F)F)c1 160094579 HWAZEVKRZSHYMF-GWCFXTLKSA-N 302.340 3.038 10 10 DGCE Cc1cccc(CN(C)Cc2cn(C)nc2C(F)(F)F)c1O 180770839 MPNVTLCMAPIMMX-UHFFFAOYSA-N 313.323 3.085 10 10 DGCE COc1ccc([C@H](C)NC(=S)Nc2ccc(N)cc2)cc1 240710799 AMRFGDPCSMXASD-NSHDSACASA-N 301.415 3.325 10 10 DGCE S=C(NCc1ccccn1)Nc1ccccc1Br 242441853 BMTCGNSSDDCDQC-UHFFFAOYSA-N 322.231 3.331 10 10 DGCE COc1cc(C)ccc1OC(=O)N(C(C)=O)c1ccc(N)cc1 244507636 ZMKPPNHTBRRJQA-UHFFFAOYSA-N 314.341 3.138 10 10 DGCE CC(C)N1CCC[C@H](CN[C@H](C)c2ccc(F)c(F)c2O)C1 249124637 UPPBXTYMJZSPLP-CHWSQXEVSA-N 312.404 3.441 10 10 DGCE CC[C@@H](c1cc(Br)ccc1O)N(C)[C@H](C)C(=O)O 251119082 WCJANJAFQYZSCF-KCJUWKMLSA-N 316.195 3.011 10 10 DGCE Cc1cccc(N=c2scc(-c3ccc(O)c(O)c3)n2C)n1 254530215 DKXMVMPSIRCIEQ-UHFFFAOYSA-N 313.382 3.101 10 10 DGCE Cc1ccc(O)c(CN[C@H]2CCOC3(CCSCC3)C2)c1 269340172 OXFIWLQZPBJOKB-HNNXBMFYSA-N 307.459 3.235 10 10 DGCE CC(C)(C)[C@@H]1OC(=O)N[C@@H]1c1ccc(Br)cc1O 575254219 GAGGZZJJURNMEY-GHMZBOCLSA-N 314.179 3.350 10 10 DGCE CCc1cccc(CNCCCN(C)C(=O)OC(C)(C)C)c1O 691515885 VZTPSXRGFUPVJA-UHFFFAOYSA-N 322.449 3.301 10 10 DGCE C[C@H]1CC[C@H](N(C)Cc2ccc(Br)cc2O)CO1 691684381 VGHRXZCKEUVTEJ-GWCFXTLKSA-N 314.223 3.154 10 10 DGCE COCCNCc1ccc(F)c(F)c1Sc1nccs1 704584292 PRKQBHXOYKHNBD-UHFFFAOYSA-N 316.398 3.309 10 10 DGCE OCc1ccc(N2CCC[C@H](CF)C2)c(Br)c1 711523045 TUTGUBTXDPJTQN-LLVKDONJSA-N 302.187 3.127 10 10 DGCE Oc1c(F)cc(Br)cc1CN1CCC[C@H](CF)C1 715806055 PHWWRFQAFLOSQS-SECBINFHSA-N 320.177 3.475 10 10 DGCE CC1(C)CO[C@@H](CNCc2ccc(Br)cc2O)C1 717633166 KXDAZDXCPSYFQF-GFCCVEGCSA-N 314.223 3.059 10 10 DGCE C[C@H]1C[C@H](N(C)Cc2cccc(Br)c2O)CCO1 721471553 DEBYWMPQUWQYDI-CMPLNLGQSA-N 314.223 3.154 10 10 DGCE Cc1cc(O)c(CN(C)[C@@H]2CCN(C3CC3)C2)cc1C(C)C 732188269 HFUDYBXTPUPVFF-QGZVFWFLSA-N 302.462 3.493 10 10 DGCE Cc1cc(CCNC(=O)C2=COCC2)c(C)n1-c1ccccc1 734120959 AMZKMRZKIDMYHO-UHFFFAOYSA-N 310.397 3.057 10 10 DGCE C[C@@H](Nc1cccc([C@H]2CNC(=O)C2)c1)c1cc(F)ccc1O 757619854 UZAILAULKKJYCO-DGCLKSJQSA-N 314.360 3.308 10 10 DGCE CO[C@@H](CCN[C@H](C)c1cc(F)cc(F)c1O)C(F)(F)F 786955399 ZJXSQHWRXHFKSZ-HQJQHLMTSA-N 313.266 3.288 10 10 DGCE CN(C)[C@@H]1CCOc2c(NC(=O)c3cc(O)cs3)cccc21 791039751 XTBMXACUGVOELL-CYBMUJFWSA-N 318.398 3.091 10 10 DGCE C[C@@H](NC(=O)C[C@@H](O)CC(C)(C)C)c1ccc(N(C)C)cc1 813524486 CMXGYZUSZNGPNI-CZUORRHYSA-N 306.450 3.117 10 10 DGCE C[C@@]1(C(=O)NCc2cccc(Br)c2O)C[C@@H]2C[C@@H]2C1 816495764 IWBVJMIJOXLNAF-HBYGRHMLSA-N 324.218 3.207 10 10 DGCE COc1cc(NC(=O)c2ccc(C)c(O)c2O)cc2cccnc12 816830405 FWYDYDGXBDUYCA-UHFFFAOYSA-N 324.336 3.215 10 10 DGCE COc1ccc(O)c(CNC(=O)c2ccc(C(C)(C)C)cn2)c1 817549890 OVWSANHUJQVSSO-UHFFFAOYSA-N 314.385 3.023 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCC[C@H](C)O1 822411896 QNVFUENYRNMANZ-HOCLYGCPSA-N 320.433 3.271 10 10 DGCE CC[C@](C)(C(=O)OC)N(Cc1cc(F)ccc1O)CC1CC1 822504538 UKMNHETXJDAOKE-QGZVFWFLSA-N 309.381 3.085 10 10 DGCE CC[C@@H](NCc1ccc(N(CC)CC)c(F)c1)[C@@H](O)C(F)F 824635028 DWYNPTPOGVZDRT-UKRRQHHQSA-N 318.383 3.166 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)cc1F 826940323 CSLGDIMYFZQUNS-FICVDOATSA-N 304.409 3.334 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCC[C@H](C)F 840378218 DAYRZNUUVGZJQM-KBPBESRZSA-N 309.429 3.039 10 10 DGCE Cc1ccc(O)c(CNC[C@@H]2CN(C)C[C@H]2c2ccccc2)c1 842767215 YYEWLOJXQIXIKK-MOPGFXCFSA-N 310.441 3.136 10 10 DGCE CC[C@H](N[C@@H](COC)C1CCOCC1)c1ccc(N(C)C)cc1 850491695 ILJZLHPBVQDPLK-OALUTQOASA-N 320.477 3.235 10 10 DGCE C[C@H](NC[C@H]1C(C)(C)C1(F)F)c1cc([N+](=O)[O-])ccc1O 850550995 FXQPENNIUNFHNR-UFBFGSQYSA-N 300.305 3.242 10 10 DGCE Nc1ccc(Cc2noc([C@@H]3COC[C@@H]3c3ccccc3)n2)cc1 854134637 RPFJZGPMBARXRO-IAGOWNOFSA-N 321.380 3.140 10 10 DGCE CN(C[C@H]1CCc2ccccc21)C(=O)/C=C\c1ccc(O)c(O)c1 856305106 LYIOFAALTGBUAG-MRDWYFFCSA-N 323.392 3.299 10 10 DGCE CC[C@H](NC[C@H]1CC2(CCOCC2)CO1)c1ccccc1O 866533742 VAHWVORBKSNPDO-ZBFHGGJFSA-N 305.418 3.019 10 10 DGCE Cc1cc(O)c(CN2CCO[C@@H](C(F)F)CC2)c(Cl)c1 872253560 CNSJZYIMHKURFU-CYBMUJFWSA-N 305.752 3.210 10 10 DGCE CC(C)OCCCN(C)C(=O)c1cc2cc(O)c(O)cc2s1 896523028 WUHHQZYBLGNUIF-UHFFFAOYSA-N 323.414 3.200 10 10 DGCE Cc1ccc(O)c([C@H](C)NC[C@H]2CC[C@@H](C(F)(F)F)O2)c1 903180306 YWHRDTKWZKNJQU-WDMOLILDSA-N 303.324 3.461 10 10 DGCE CCc1noc([C@@H]2CC[C@@H](N[C@@H]3CCc4cccc(O)c43)C2)n1 927055628 GLRLNZBOUDHOII-MGPQQGTHSA-N 313.401 3.251 10 10 DGCE CCc1noc([C@@H]2CC[C@H](N[C@H]3CCc4cccc(O)c43)C2)n1 927055629 GLRLNZBOUDHOII-RDBSUJKOSA-N 313.401 3.251 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)Cc1cnn(CCF)c1 929295852 NBMYKHWNSUOOIY-UHFFFAOYSA-N 318.440 3.329 10 10 DGCE Cc1cc(NC(=O)N2Cc3cccc(O)c3C2)ccc1N(C)C 929596229 PUNGSBWVZVRJPD-UHFFFAOYSA-N 311.385 3.314 10 10 DGCE C[C@H](NC(=O)[C@H]1CCC[C@@H](N(C)C)C1)c1ccc(N(C)C)cc1 1154667936 AEBBDNCMSHANOY-QILLFSRXSA-N 317.477 3.050 10 10 DGCE Cc1nocc1C(=O)NCCc1cc(C)n(-c2ccccc2)c1C 1287468596 IZMUFHPOXGLAQF-UHFFFAOYSA-N 323.396 3.363 10 10 DGCE Cc1ccn(C)c1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1290375291 YTIVIINUVLANEJ-UHFFFAOYSA-N 311.429 3.206 10 10 DGCE CCN(C)c1ccc(CN2CCO[C@](C)(C(F)(F)F)C2)cc1 1473731693 YRVZNYKYZDWTFR-HNNXBMFYSA-N 316.367 3.296 10 10 DGCE Cc1cc(CCNC(=O)NOC(C)C)c(C)n1-c1ccccc1 1479064082 NBQRTPXCSQWCRR-UHFFFAOYSA-N 315.417 3.276 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N1CC2(CCC2)[C@@H]1c1ccccc1 1556830300 AKEWJKYYZVVQKJ-IBGZPJMESA-N 323.392 3.394 10 10 DGCE CC[C@H](CNC(=O)CC(C)(C)C)NCc1ccc(OC)c(C)c1 1698589809 BHCSWUNDXPCEIE-MRXNPFEDSA-N 320.477 3.424 10 10 DGCE [N-]=[N+]=N[C@@H]1CCN(C[C@@H]2Cc3cc(Br)ccc3O2)C1 1912184500 FRBNGUFTLNCZJK-NEPJUHHUSA-N 323.194 3.137 10 10 DGCE CCN(c1ccc(CN)cc1)[C@@H]1CCN(Cc2ccccc2)C1 1915056159 FIMBGHUTWASKGQ-HXUWFJFHSA-N 309.457 3.246 10 10 DGCE C[C@@H]1CSCCCN1c1ccc(CO)c(Br)c1 1940238939 SLKBGBINTDVXFQ-SNVBAGLBSA-N 316.264 3.273 10 10 DGCE Oc1cc(OCc2ccccc2)ccc1[C@@H]1CSCCN1 1952382236 SNLUDDUAMLLBAR-INIZCTEOSA-N 301.411 3.349 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H](OCc2ccc(N)cc2)C1 1952546174 SJCDLQCHNJLESE-HNNXBMFYSA-N 306.406 3.185 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](Nc2c(N)cccc2F)C1 1959370987 KOBAVBHWHRQUDE-MNOVXSKESA-N 309.385 3.266 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](F)CN1CCCCN=[N+]=[N-] 1962306058 XMXQFJTVISXQQZ-RYUDHWBXSA-N 315.393 3.014 10 10 DGCE CC(C)(C)OC(=O)NC[C@]1(F)C[C@@H]([C@@H](N)c2ccccc2O)C1 1976948112 UYOFFJKZLGHMEP-ZLENFMNRSA-N 324.396 3.035 10 10 DGCE C[C@@H]1C[C@@]1(F)CNCc1cc(Br)cc(F)c1O 2025707468 PWOQATJCCQFLEX-JMCQJSRRSA-N 306.150 3.132 10 10 DGCE Oc1cc(Br)ccc1CN[C@H]1CC12CC(F)(F)C2 2069061732 ZRBQYALMCPGEHA-NSHDSACASA-N 318.161 3.432 10 10 DGCE C[C@H](c1ccc(F)cc1O)n1nc(C2CCCC2)cc1CN 2070137043 RFAOWMAUZXYYLO-LLVKDONJSA-N 303.381 3.453 10 10 DGCE Cc1ccc([C@@H](C)n2nc(C)c(N)c2Br)c(O)c1 2079126336 WHEMUNGXDXHDEL-SECBINFHSA-N 310.195 3.160 10 10 DGCE CNCc1ccc(N2C[C@H]3CC[C@]3(C)C2)c(Br)c1 2086875769 DRXXALOFWCQSPS-IUODEOHRSA-N 309.251 3.405 10 10 DGCE CN[C@@H](c1ccccc1O)[C@H](O)c1cccc(Br)c1 2091859598 PHTQOTAPBPFEHW-LSDHHAIUSA-N 322.202 3.149 10 10 DGCE O[C@]1(c2ccc(N3CCCC3)cc2)CCCC2(CC1)OCCO2 2163091303 GDSXSNJDTJMAQG-GOSISDBHSA-N 317.429 3.182 10 10 DGCE COCCOCCCN(C)Cc1cc(Cl)cc(Cl)c1O 2186326131 XNHWKZGRESZMME-UHFFFAOYSA-N 322.232 3.184 10 10 DGCE CNCc1ccc(N(C)[C@@H]2C[C@@H]3C[C@@H]3C2)c(Br)c1 2222651856 YLWUIPZXPNPJOZ-ITGUQSILSA-N 309.251 3.403 10 10 DGCE COc1cc(Cl)cc(CNC[C@H](SC)C2CC2)c1O 2224603879 RWVSNTWCKFNKFF-ZDUSSCGKSA-N 301.839 3.285 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@H]1NC(=O)c1csc(C(F)(F)F)n1 2234177817 WACKTLKKLQEGDE-RITPCOANSA-N 305.285 3.123 10 10 DGCE O[C@H]1CCCc2cc(N3CC(SC(F)(F)F)C3)ccc21 2237484875 QNAUJVPMWQYOSU-ZDUSSCGKSA-N 303.349 3.498 10 10 DGCE Cc1cc(O)cc(C)c1NS(=O)(=O)[C@@H]1CCCC[C@@H]1F 2239721061 BKSWDQXJUCIONW-QWHCGFSZSA-N 301.383 3.031 10 10 DGCE CN(c1ccc(CO)c(Br)c1)[C@@H]1CC2C[C@@H]3C1[C@@H]3C2 2264477564 ADPRQLNVSKVCRC-JUICXUFHSA-N 322.246 3.422 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@@H]3C[C@H]2[C@H]2C[C@@H]23)cc1Br 2308726060 UTWDGEGATVKERC-UODPKLMKSA-N 307.235 3.313 10 10 DGCE Cc1ccc(C=C2SC(=S)N(CCCN(C)C)C2=O)cc1 2323767353 KKLAVFMHUIWFSE-UHFFFAOYSA-N 320.483 3.148 10 10 DGCE CCCC1=NN(CCC)C(=O)C1=Cc1cccc(OC)c1O 2332097950 IRBAOWSIVSBNDL-UHFFFAOYSA-N 302.374 3.193 10 10 DGCE Cc1ccc(CN[C@@H](C)c2nccn2C)c(O)c1Br 2352932159 IVKOFCPHEGGZIH-JTQLQIEISA-N 324.222 3.047 10 10 DGCE COc1cc(Cl)c(N(C)CC[C@@H](N)C(C)C)c(OC)c1 2368108423 OPZBOSHTQIYEJA-CYBMUJFWSA-N 300.830 3.167 10 10 DGCE Cc1ccc(/C=C2/SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)cc1 5698431 NWXXQLZGOPJPFQ-FCOKVBTJSA-N 316.426 3.075 10 10 DGCE CN(C(=O)c1ccc(Br)c(F)c1)c1ccc(N)cc1 43575892 PHWHBEOSKDSGSH-UHFFFAOYSA-N 323.165 3.447 10 10 DGCE C[C@@H](N)c1ccc(N2CCCSCC2)c(Br)c1 61696407 CWMKYHQAMCZWIB-SNVBAGLBSA-N 315.280 3.412 10 10 DGCE Nc1ccc(OCCNc2ccc(Cl)cc2[N+](=O)[O-])cc1 63130682 GOTWFWGQRMZFEJ-UHFFFAOYSA-N 307.737 3.321 10 10 DGCE CNCc1ccc(OC)c(C[S@@](=O)c2ccc(Cl)cc2)c1 82000666 OOHJGYUQBDQIQC-NRFANRHFSA-N 323.845 3.376 10 10 DGCE Cc1cnn(CCN[C@@H](C)c2ccc(Br)cc2O)c1 185843692 WPWCIINUVFQKBM-NSHDSACASA-N 324.222 3.010 10 10 DGCE CC(C)C[C@@H](CN(C)C)N[C@@H](C)c1ccc(F)c(F)c1O 187698237 AQIHABBHMZVOLS-RYUDHWBXSA-N 300.393 3.297 10 10 DGCE CCCN(Cc1cn(C(C)(C)C)nn1)Cc1ccccc1O 191290054 RJSKHVAMQOERMR-UHFFFAOYSA-N 302.422 3.151 10 10 DGCE C[C@H](NCCc1cn[nH]c1)c1cc(Cl)c(Cl)cc1O 289652536 GHXMQPAMAXYQMP-QMMMGPOBSA-N 300.189 3.315 10 10 DGCE Cc1nc(Cl)c(Cl)cc1C(=O)NCc1ccccc1O 312470631 BYTGTEVIKAJOQC-UHFFFAOYSA-N 311.168 3.332 10 10 DGCE COCCn1c(C)c(C)c2cc(C(=O)NC[C@H]3C[C@@H]3C)ccc21 343259506 MQCDKKHLHXWOEF-BLLLJJGKSA-N 314.429 3.290 10 10 DGCE C[C@@H]1[C@@H](NCc2ccc(N3CCOCC3)cc2)CCC[C@H]1C 378902496 XNVZDTYNUDERAS-GJYPPUQNSA-N 302.462 3.438 10 10 DGCE CC[C@@H](NCc1[nH]cnc1C)c1cc(Br)ccc1O 379971031 MQRFFSLENNLDPI-GFCCVEGCSA-N 324.222 3.427 10 10 DGCE CNCc1ccc(N2CC[C@H](SC)C2)c(C(F)(F)F)c1 382934850 GWOYUVUAAXVLED-NSHDSACASA-N 304.381 3.367 10 10 DGCE Oc1ccc(CNCc2ccc(Br)cc2O)cc1 691448283 DYJZTZRPAJIBIY-UHFFFAOYSA-N 308.175 3.150 10 10 DGCE Cn1ncc(NCc2c(O)cccc2Cl)c1Br 694131216 RIBCERARZUVJKV-UHFFFAOYSA-N 316.586 3.154 10 10 DGCE CN(c1ccc(CO)cc1Br)C1(C(F)(F)F)CC1 720372373 LTQJDLKIWYXXSW-UHFFFAOYSA-N 324.140 3.473 10 10 DGCE C[C@H](N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C)c1ccccc1O 721885581 XTVZAHWMOAKODY-YDHLFZDLSA-N 320.433 3.298 10 10 DGCE CC[C@@H](C(N)=O)N1CCCc2cc(OCc3ccccc3)ccc21 734486268 IXHPQCPJRHDGPI-SFHVURJKSA-N 324.424 3.282 10 10 DGCE Cc1ccc(C)c(CN(C)Cc2cc3c(cc2O)OC[C@H]3O)c1 762051044 PNZJVOGCHKOPRX-GOSISDBHSA-N 313.397 3.067 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CCOC[C@H]1C 762707592 TXDKRCVFGHRAQF-BXUZGUMPSA-N 318.442 3.310 10 10 DGCE CCN(CC)c1ccc(CN(C)[C@H]2CCN(C3CC3)C2)cc1 769326397 LJDKOGMGHNNAFR-IBGZPJMESA-N 301.478 3.201 10 10 DGCE CC[C@H]1CCN1C(=O)NCc1ccc(N(CC)CC)c(F)c1 813634933 XBMPROXEVRVJLL-AWEZNQCLSA-N 307.413 3.366 10 10 DGCE Cc1nc([C@@H]2CCCCN2Cc2ccc(N(C)C)c(C)c2)no1 815018763 ANBVPWAHFCELDQ-KRWDZBQOSA-N 314.433 3.480 10 10 DGCE CC(=O)c1cc(F)cc(CN2CCOC[C@H]2CC2CCC2)c1O 815293641 KIKDCPXHJUIYHL-MRXNPFEDSA-N 321.392 3.125 10 10 DGCE CCN(C)c1ccc([C@@H](C)NC[C@H]2CC[C@H](C(N)=O)CC2)cc1 817584934 BDCIVVWDNKEMAH-BFYDXBDKSA-N 317.477 3.085 10 10 DGCE C[C@@H]1CCCN(c2ccc(CNC[C@H](O)C3CC3)cc2Cl)C1 819290784 MHXMYVLCGQSGBV-ACJLOTCBSA-N 322.880 3.437 10 10 DGCE CCN1CCC[C@@H](CNC/C=C\c2ccc(N(C)C)cc2)C1 835035247 FADIEOGVTHEURB-YEODSOHDSA-N 301.478 3.087 10 10 DGCE CN(C)c1ccc(/C=C/CNCCN(C)C2CCCC2)cc1 835039177 XEHASPXXXQMQAA-VOTSOKGWSA-N 301.478 3.230 10 10 DGCE Cc1cc(N(C)C)ccc1CNc1ccc2c(c1)CCN(C)C2=O 849347561 OUZNLIYHTTZMQS-UHFFFAOYSA-N 323.440 3.301 10 10 DGCE CO[C@H](CN[C@H](C)c1cc(Cl)cc(C)c1O)[C@H]1CCOC1 850484121 CPZZAWJCUAJXPW-TYNCELHUSA-N 313.825 3.056 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@H](C)c3cncc(C)c3)C2)cc1 850488918 PMMYDYJQYAPELR-NVXWUHKLSA-N 311.429 3.328 10 10 DGCE C[C@H](N[C@@H](c1ccccc1)[C@@H](C)O)c1cc([N+](=O)[O-])ccc1O 850585556 ZICAIELZHGXLHW-XWCIJXRUSA-N 316.357 3.073 10 10 DGCE C[C@@H](CNC(=O)N[C@@H](C)c1ccccc1O)c1nccs1 868498120 IYJWYFBRFPNIPJ-QWRGUYRKSA-N 305.403 3.013 10 10 DGCE C[C@H](NC(=O)NC[C@H]1CC12CCSCC2)c1ccccc1O 868715081 JJCBCHWGANBPNX-QWHCGFSZSA-N 320.458 3.286 10 10 DGCE CC[C@@H](NCCC[C@H]1CCOC1=O)c1cc(Cl)ccc1O 872112896 LQJFAVNQJDQHGC-SMDDNHRTSA-N 311.809 3.430 10 10 DGCE COc1cc(C)cc(CNC[C@@H]2CCN2C2CCCCC2)c1O 895391258 WIXBJPFYFNLEBR-KRWDZBQOSA-N 318.461 3.206 10 10 DGCE COc1cc(C)cc(CN[C@H](C2CCC2)[C@H]2CCCO2)c1O 895449324 GRBVASGZKWPKNU-NVXWUHKLSA-N 305.418 3.147 10 10 DGCE CON(C(=O)c1cc2cc(O)c(O)cc2s1)C1CCCC1 897382285 FHZOOSXMKANIOZ-UHFFFAOYSA-N 307.371 3.259 10 10 DGCE COc1ccc(O)c([C@H](C)NC2CCC(C)(N3CCC3)CC2)c1 927038833 RASPWOQFKWYHBR-XVTSOASTSA-N 318.461 3.458 10 10 DGCE CN(Cc1ccccc1O)C(=O)N[C@@H]1CCSC2(CCC2)C1 927259298 QAKLMXRIZYDBCU-CQSZACIVSA-N 320.458 3.352 10 10 DGCE CN(C)c1ccc(CNC(=O)Cc2cncc3ccccc23)cc1 1135825145 HBERQXXOYKIRMN-UHFFFAOYSA-N 319.408 3.160 10 10 DGCE CO[C@H]1CCC[C@@H](C(=O)NCc2c(O)ccc3ccccc23)C1 1157041870 QKWMHFPMLASNRO-CABCVRRESA-N 313.397 3.367 10 10 DGCE CCOc1cc(Cl)ccc1C(=O)NCc1cc(O)ccc1O 1176754390 BVAMBKZQGDVGQY-UHFFFAOYSA-N 321.760 3.080 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1cc(C)cn2ccnc12 1261811231 AGGPOPXQWQNNIQ-UHFFFAOYSA-N 323.396 3.401 10 10 DGCE CCCCC(=O)N1C[C@@H](C)[C@@H](NCc2ccc(OC)c(C)c2)C1 1327828442 NHGUMKJPVRBXLW-WBVHZDCISA-N 318.461 3.130 10 10 DGCE C[C@@H](NC(=O)Cc1coc(-c2ccccc2)n1)c1ccccc1O 1454793894 HYCPJIWYANEATE-CYBMUJFWSA-N 322.364 3.467 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(C)cc(F)c1 1467840303 NREADIZXUAOWLT-UHFFFAOYSA-N 308.349 3.255 10 10 DGCE C[C@H](Oc1ccc(Cl)cc1)C(=O)N1Cc2cccc(O)c2C1 1471355830 WXAJPMHGZZJVBZ-NSHDSACASA-N 317.772 3.355 10 10 DGCE O=C(NCc1cccc(Cl)c1O)[C@@H]1C[C@H]1c1cccc(O)c1 1472317194 ZCHJYPJSDPGYMM-UONOGXRCSA-N 317.772 3.171 10 10 DGCE Cc1cccc(C(=O)NCc2ccc3cccnc3c2O)c1F 1557124030 TVGKKWHBGUXWOB-UHFFFAOYSA-N 310.328 3.318 10 10 DGCE O=C(c1cccn1Cc1ccccc1)N1Cc2cccc(O)c2C1 1587929006 UUGYBPOUFPKJLY-UHFFFAOYSA-N 318.376 3.398 10 10 DGCE C[C@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1ccccc1O 1632250154 LNWORMDUIQYZPY-RYUDHWBXSA-N 303.333 3.176 10 10 DGCE CCO/C=C/C(=O)N(Cc1ccco1)Cc1ccccc1O 1635647250 DEWFLAPGOVVOEF-PKNBQFBNSA-N 301.342 3.064 10 10 DGCE C[C@H]1C[C@@H](C(=O)NCc2c(O)ccc3ccccc23)CCC1=O 1639384443 KMANOLLMULSCHE-JSGCOSHPSA-N 311.381 3.167 10 10 DGCE COc1ccc(CN[C@H]2C[C@@H](NC(=O)CCC(C)C)C2)cc1C 1731469718 NTPWSSDGKJTXBZ-CALCHBBNSA-N 318.461 3.177 10 10 DGCE OC[C@H]1CC[C@@](F)(CNCc2cccc(Cl)c2O)CC1 1875990267 DHFJZILLZQEGMR-FUKZOUPISA-N 301.789 3.026 10 10 DGCE C[C@H](N)c1ccc(N(Cc2ccccc2)CC(C)(C)O)cc1O 1915405298 YAUXLALRKQLFBJ-AWEZNQCLSA-N 314.429 3.189 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]([C@@H](N)c1ccccc1O)C(C)(C)C 1928468887 BGFLCXVBLAERCQ-KBPBESRZSA-N 308.422 3.331 10 10 DGCE CN[C@H](c1ccccc1O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C 1936977630 UXZKZIRMSYFHEQ-DUVNUKRYSA-N 320.433 3.156 10 10 DGCE Nc1ccc(CN[C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]32)cc1 1944061266 GXDCYMOPFUUHFZ-HMXCVIKNSA-N 321.468 3.269 10 10 DGCE Cc1cccc(O)c1CNCCc1ccncc1Br 1967731928 ZECPXJBAZRKWDG-UHFFFAOYSA-N 321.218 3.190 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](Nc3c(N)cccc3F)C[C@H]21 1977665029 SIMHUUKIKDPPCR-DDTOSNHZSA-N 321.396 3.218 10 10 DGCE C[C@H](O)CN(Cc1ccccc1)c1ccc2c(c1)CCC[C@H]2O 1986598835 AKFCMLSYWSFWDF-MGPUTAFESA-N 311.425 3.444 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@](N)(c2ccccc2O)C12CCCC2 1989565564 HAVQKALANKVQDV-GOSISDBHSA-N 318.417 3.110 10 10 DGCE C[C@@H]1C[C@@H](CCNCc2ccc(Br)cc2O)CO1 2041486378 LVIDMXAAWQTLJM-GHMZBOCLSA-N 314.223 3.059 10 10 DGCE C[C@H](N)c1ccc(N(C)[C@@]2(C)CCOC2)c(Br)c1 2055450546 ZWPCVPMXKHZHOM-HZMBPMFUSA-N 313.239 3.084 10 10 DGCE C[C@H](CC1CCCCC1)C(=O)NCc1c(O)cc(O)cc1O 2062762204 NWKCLTFPBZFAKO-LLVKDONJSA-N 307.390 3.026 10 10 DGCE NC[C@@H]1C[C@H]2CC[C@H]1N2Cc1cc(Cl)cc(Cl)c1O 2117662263 BVDNGGDSDLKCKZ-RLCGTCKNSA-N 301.217 3.011 10 10 DGCE CN(C[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32)c1ccc(CO)cc1Br 2134501919 LFDPUXKXVSJCAN-CGOYYEKTSA-N 322.246 3.280 10 10 DGCE CC[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@@H]1N(C)C 2170467189 NGFYNEJTOAHLPO-YGRLFVJLSA-N 317.260 3.471 10 10 DGCE C[C@@H](O)c1cc(F)c(N(C)C[C@@H](F)C(F)(F)F)c(F)c1 2194506964 AYADULPCTLWKIW-LHLIQPBNSA-N 301.230 3.355 10 10 DGCE CNCc1ccc(N(C)C[C@@]2(C)CSCCO2)c(Cl)c1 2201255810 GIUUNBYXLZSXSD-HNNXBMFYSA-N 314.882 3.018 10 10 DGCE Nc1cccc(Br)c1N[C@H]1CCCN(C2CC2)C1 2260327902 WZLLESBCYDTWNW-JTQLQIEISA-N 310.239 3.070 10 10 DGCE Cc1ccc(CN(C)[C@@H]2CCSC2)c(O)c1Br 2307468034 CYRMUJNDANEGBM-LLVKDONJSA-N 316.264 3.400 10 10 DGCE Cc1cccn2c(N=Nc3cccc(C(=O)O)c3)c(C(=O)O)nc12 2320767237 ADNROVQQANWDIE-UHFFFAOYSA-N 324.296 3.455 10 10 DGCE CCc1nc([C@H](NC)c2ccc3c(c2)CCN3C)sc1C 50287841 XXALEVBUIKQNNS-MRXNPFEDSA-N 301.459 3.315 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)C(=O)NCc1ccc(Cl)cc1 96642653 MKJOBDWXHJNTFX-LLVKDONJSA-N 319.788 3.246 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)C(=O)Nc1ccc(F)cc1F 96785401 XPOOJTZKCGWVJB-SECBINFHSA-N 307.296 3.193 10 10 DGCE C[C@H]1CN(c2ccc([C@H](C)N)cc2Br)C[C@@H](C)O1 109566168 POUXBMCNMNWGDM-AXFHLTTASA-N 313.239 3.082 10 10 DGCE COC[C@@](C)(NCc1cc(OC)ccc1O)c1ccccc1 154705129 ADLQYCVKRDCKQQ-GOSISDBHSA-N 301.386 3.052 10 10 DGCE Nc1ccc(CC(=O)Nc2ccc(F)c(Br)c2)cc1 156853568 AHZBQCPDFHMEDX-UHFFFAOYSA-N 323.165 3.352 10 10 DGCE C[C@H](N)c1ccc(N2CC[C@H]3[C@@H](CCCN3C)C2)c(Cl)c1 220914330 XDJOCNJMBOCPLG-NOLJZWGESA-N 307.869 3.280 10 10 DGCE C[C@@H]1CN(c2c(F)cc(/C=C\C(=O)O)cc2F)C[C@@H](C)S1 227151706 WPKHCQNVJJFFBJ-HWKXXFMVSA-N 313.369 3.393 10 10 DGCE CCN(Cc1cc(OC)c(OC)cc1O)[C@H](C)c1cccnc1 290458032 MVEWRKDENBQLLJ-CYBMUJFWSA-N 316.401 3.388 10 10 DGCE CN(C)c1ccc(CNc2cccc3c2OCC[C@@H]3O)cc1F 368391994 DJLBIWUIOVCNHS-KRWDZBQOSA-N 316.376 3.320 10 10 DGCE C[C@H]1C[C@@H](N(C)c2ccc([C@H](C)N)c(Br)c2)CO1 401560717 GHQCFCZPQLLPRF-JBLDHEPKSA-N 313.239 3.082 10 10 DGCE CN(CC1C[C@H]2C[C@@H]2C1)c1ccc(CN)cc1Br 697843534 FSZFNGMRBYVRKE-STQMWFEESA-N 309.251 3.390 10 10 DGCE Oc1cccc(Br)c1CN[C@@H]1C[C@H]2[C@@H](C1)C2(F)F 706843843 FJDRBYKGNQZBJA-LETLQTKMSA-N 318.161 3.288 10 10 DGCE CCCOCCCNCc1c(O)cccc1Br 706875432 ZMGBGKPBIICCCY-UHFFFAOYSA-N 302.212 3.061 10 10 DGCE CCO[C@@H](C)CNCc1cc(Cl)cc(Br)c1O 708098965 NHUPQZVPIMEPDS-QMMMGPOBSA-N 322.630 3.323 10 10 DGCE Clc1cc(N2C[C@@H]3CSC[C@H]3C2)ccc1CNC1CC1 711606221 AHAKNABCAPMLSZ-CHWSQXEVSA-N 308.878 3.391 10 10 DGCE CCC[C@@H](N)[C@@H](N)c1ccc(OCc2ccccc2)cc1O 713737998 FSBTUYWHRBUBMP-AEFFLSMTSA-N 300.402 3.098 10 10 DGCE C[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)c1ccccc1O 721885576 XTVZAHWMOAKODY-VNHYZAJKSA-N 320.433 3.298 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc2nccn2c1 738950135 RPWCFPDFGZCRBD-UHFFFAOYSA-N 323.400 3.030 10 10 DGCE CN(Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)CC1CC1 768914900 JMDHEXUXYKWJHE-UHFFFAOYSA-N 303.406 3.427 10 10 DGCE CC[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1O)c1nccs1 775025752 WFNCOTDPSHOVAA-SNVBAGLBSA-N 323.374 3.006 10 10 DGCE CC1=C[C@H](C)CN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 797429720 WLGXVKFIQBATQP-HNNXBMFYSA-N 313.445 3.394 10 10 DGCE CC(C)(CNCc1ccc(N2CCOCC2)cc1)C(F)(F)F 800889985 YIZKYVVLISYKFH-UHFFFAOYSA-N 316.367 3.201 10 10 DGCE O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1C[C@@H]1C(F)F 801141644 OVLDXFYFAREOHU-GJZGRUSLSA-N 308.372 3.194 10 10 DGCE Cn1nc2c(c1CNCc1c(O)ccc(Cl)c1F)CCCC2 812773761 QPPLMGQZTJORPJ-UHFFFAOYSA-N 323.799 3.087 10 10 DGCE CC[C@@H]1CCN1Cc1cc(Br)cc(OC)c1O 814179079 PALNDPQCZZPKOK-LLVKDONJSA-N 300.196 3.148 10 10 DGCE C[C@@H](NC(=O)C(F)=C1CCC1)c1ccc(N2CCOCC2)cc1 819165961 IRIWGKOJWSZUES-CYBMUJFWSA-N 318.392 3.108 10 10 DGCE Cc1ccncc1CCNCc1ccc(Br)cc1O 826919875 CKVBXFLAWPJKBI-UHFFFAOYSA-N 321.218 3.190 10 10 DGCE CCOc1cccc(CN2Cc3c[nH]nc3CC(C)(C)C2)c1O 828013603 FIUGIVFKJNWDLU-UHFFFAOYSA-N 315.417 3.099 10 10 DGCE C[C@H](NCC1(CF)CCOCC1)c1cc(F)cc(F)c1O 834886639 UXPBIPZXKCCLFY-JTQLQIEISA-N 303.324 3.087 10 10 DGCE COc1ccc(C2CCN(Cc3cc(F)ccc3O)CC2)nc1 845997499 BUANKLJGLUYNHX-UHFFFAOYSA-N 316.376 3.315 10 10 DGCE CN1C(=O)/C(=C/c2cn(C3CCC3)nn2)c2cc(Cl)ccc21 849247581 CXXMLQQWULKNJN-RIYZIHGNSA-N 314.776 3.174 10 10 DGCE CCc1ccc(CN[C@@H]2CCN(c3ccc(OC)cc3)C2)o1 850347301 PZUWYMCJWIXSFR-CQSZACIVSA-N 300.402 3.219 10 10 DGCE C[C@H](N[C@H](C)c1cc(Br)ccc1O)c1nccn1C 850573366 YNMBIXGAZCLJCU-ZJUUUORDSA-N 324.222 3.300 10 10 DGCE Cc1cc(O)c(CN2CCO[C@H](CC(F)(F)F)C2)cc1C 853611439 NGOUQUKRJAHJKS-CYBMUJFWSA-N 303.324 3.162 10 10 DGCE CC(C)(CNC(=O)/C=C\c1ccc(O)c(O)c1)CC(F)(F)F 856518898 CWPLVOUUVFRVGJ-XQRVVYSFSA-N 317.307 3.206 10 10 DGCE CC/C=C(\F)C(=O)NCc1ccc(N2CCSCC2)cc1 864919241 SGSXTVNMALTLAV-CQPUUCJISA-N 308.422 3.119 10 10 DGCE O=C(N[C@@H]1C[C@H]1c1ccsc1)N1Cc2cccc(O)c2C1 875870156 LTPQFRDKTYJNOV-GXTWGEPZSA-N 300.383 3.035 10 10 DGCE c1ccc2c(CCNCc3ccc4c(c3)CCCO4)noc2c1 922234694 MTVBZTAHIMRMCP-UHFFFAOYSA-N 308.381 3.485 10 10 DGCE COc1ccc(N2CC[C@H](CN[C@@H](C)c3ccns3)C2)cc1 926611507 LYQFWPHCVQGCBK-UONOGXRCSA-N 317.458 3.329 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2cc3cc(O)ccc3nc2C)c1 1147961934 KELGVWBRYDVRKU-UHFFFAOYSA-N 322.364 3.193 10 10 DGCE CCc1ccccc1CN(C)c1ccc(OCC(=O)OC)cc1 1193311551 QQZWAWXSTLACNF-UHFFFAOYSA-N 313.397 3.437 10 10 DGCE C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1Cc1ccc(N(C)C)cc1 1195877360 WFYPKRUEPVFYGH-RHSMWYFYSA-N 318.461 3.447 10 10 DGCE c1cc(N2CCCC2)ccc1CN[C@@H]1CCC[C@H]2OCC[C@@H]12 1200972190 WKPNPGMTHUORIB-IPMKNSEASA-N 300.446 3.334 10 10 DGCE CCN(CCCOC(F)(F)F)c1ccc(OC)c(OC)c1 1307574002 MROXXIQPEHKCGD-UHFFFAOYSA-N 307.312 3.457 10 10 DGCE COc1ccc(N(C)C(=O)/C=C\c2cccnc2C)cc1F 1355872981 XDRPWPHANJETTB-TWGQIWQCSA-N 300.333 3.214 10 10 DGCE COc1cccc2nc(NC(=O)c3cc(O)cs3)sc12 1452485429 NLGGNVRYQPXFLD-UHFFFAOYSA-N 306.368 3.324 10 10 DGCE O=C(NC[C@@H]1C[C@H]1Cc1ccccc1)N1Cc2cccc(O)c2C1 1521519173 PGJBZVXPJIYMGM-SJORKVTESA-N 322.408 3.296 10 10 DGCE CN(C)c1ccc(CNC(=O)c2ccc3scnc3c2)cc1 1531321133 NSZXLPYWJSOFCG-UHFFFAOYSA-N 311.410 3.292 10 10 DGCE C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1cccs1 1625294615 WYRFYEATCPUEEB-VIFPVBQESA-N 302.359 3.402 10 10 DGCE COc1ccc2c(c1)CCN2C(=O)c1ccc(N=NC(N)=O)cc1 1625821470 OZVAJXFCYHTYCJ-UHFFFAOYSA-N 324.340 3.061 10 10 DGCE C[C@H](NC(=O)c1ccc(-c2ccccn2)nc1)c1ccccc1O 1632254648 FERGUKSHROACRL-ZDUSSCGKSA-N 319.364 3.340 10 10 DGCE C[C@@H](CC(=O)NCc1c(O)cccc1O)c1c[nH]c2ccccc12 1635847362 MNSWVGXNPRBYPR-LBPRGKRZSA-N 324.380 3.389 10 10 DGCE O=C(NCc1ccc(O)cc1O)c1occc1-c1ccccc1 1639441399 SWNPVDLJRCMPTQ-UHFFFAOYSA-N 309.321 3.288 10 10 DGCE C[C@H](NC(=O)CCc1cccc(F)c1F)c1ccccc1O 1642827896 VCFBFMCXCSNZHF-NSHDSACASA-N 305.324 3.480 10 10 DGCE Nc1cc(F)ccc1C(=O)NCc1c(O)ccc2ccccc12 1652709289 YMAFTSQFAAQTRY-UHFFFAOYSA-N 310.328 3.197 10 10 DGCE C[C@@H](O)CN(Cc1ccccc1)c1ccc(CN)c(C2CC2)c1 1901157931 SEPXHBQFWSDHIH-OAHLLOKOSA-N 310.441 3.410 10 10 DGCE CNCc1cc(F)c(N(Cc2ccccc2)[C@H](C)CO)c(F)c1 1914360671 QRUUNWOAXYXFFV-CYBMUJFWSA-N 320.383 3.072 10 10 DGCE CNCc1ccc(N(Cc2ccccc2)[C@H](C)CO)cc1Cl 1914361671 BJUJUMJCAUDGFA-CQSZACIVSA-N 318.848 3.447 10 10 DGCE OCCCN(Cc1ccccc1)c1ccc(CO)cc1Cl 1914643487 DPSDMSHCSAANFY-UHFFFAOYSA-N 305.805 3.221 10 10 DGCE Nc1ccc(NC(=O)N(Cc2ccccc2)[C@@H]2CCOC2)cc1 1915485417 MLJGETXJCHGUKU-QGZVFWFLSA-N 311.385 3.092 10 10 DGCE CC(C)(NCc1cccc(Br)c1O)[C@H]1CCCO1 1967846590 NMISWIBVLTZMGZ-GFCCVEGCSA-N 314.223 3.202 10 10 DGCE CN(Cc1ccccc1O)Cc1cnsc1Br 1968865968 SSQTYNRSNUFFIQ-UHFFFAOYSA-N 313.220 3.243 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)C2Nc1ccccc1N 1977698401 FKTYADMVYDVEFQ-OCZCAGDBSA-N 317.433 3.326 10 10 DGCE C[C@@H]1CCN(c2ccc(N)cc2)[C@@H](CNC(=O)OC(C)(C)C)C1 1977971993 VSXPFTBNLNJCRI-CZUORRHYSA-N 319.449 3.398 10 10 DGCE CC[C@@H](COC)N(C)Cc1c(O)cccc1Br 2001426786 HOOTVQDRAIXICN-JTQLQIEISA-N 302.212 3.012 10 10 DGCE Oc1ccc(Br)cc1CN[C@H]1C[C@H]2[C@@H](C1)C2(F)F 2045612720 CDMDFAMXWBLYMR-RTCCRHLQSA-N 318.161 3.288 10 10 DGCE CC[C@@]1(C)C[C@H](NCc2cc(Br)ccc2O)CO1 2069118306 RLBQBAXYMVKGNF-JSGCOSHPSA-N 314.223 3.202 10 10 DGCE Oc1ccc(Br)cc1Cn1ncc(C2CCC2)c1O 2070245016 SCTUWBQOZPAMNH-UHFFFAOYSA-N 323.190 3.373 10 10 DGCE COc1cc([C@H](N)c2ccccc2O)ccc1Br 2072053163 KGAPDAPQVLOXRC-AWEZNQCLSA-N 308.175 3.211 10 10 DGCE CCc1nn(Cc2cc(OC)ccc2O)c(N)c1C1CCC1 2079637357 KPMDXAMLKBEGLD-UHFFFAOYSA-N 301.390 3.058 10 10 DGCE C[C@@H]1C[C@H]2CN(c3ccc(CN)c(Br)c3F)C[C@@H]12 2085513027 KJXKBLFZNNMNOI-MIMYLULJSA-N 313.214 3.139 10 10 DGCE CCCNCc1cc(F)c(N2CC(CSC)C2)c(F)c1 2161161473 IXCMMXBXOAMEDL-UHFFFAOYSA-N 300.418 3.264 10 10 DGCE COc1ccc(N2CCP(C)(=O)CC2)c(Br)c1 2215805942 YMBGRBIXJCDPEK-UHFFFAOYSA-N 318.151 3.271 10 10 DGCE CC[C@@H]1C[C@H]1CNCc1c(Br)ccc(OC)c1O 2220463080 WBFQWAPSPJCJIX-ZJUUUORDSA-N 314.223 3.299 10 10 DGCE F[C@H]1CN(c2ccc(CNC3CCC3)c(Cl)c2)C[C@@H]1F 2240035336 KZMXOFREYIABRC-GJZGRUSLSA-N 300.780 3.478 10 10 DGCE Nc1ccc(C[S@](=O)c2ccc(Br)cc2)cc1 41067510 FHNIFNFYHNDIHS-QGZVFWFLSA-N 310.216 3.339 10 10 DGCE O=C(O)[C@H]1CCC[C@@H]1CNCc1cc(Cl)cc(Cl)c1O 89446621 HRIKPOWFQDRLBY-KCJUWKMLSA-N 318.200 3.290 10 10 DGCE CCCCCC(C)(C)CNS(=O)(=O)Cc1ccc(N)cc1 94983391 HWVWTJBPRLHEKN-UHFFFAOYSA-N 312.479 3.295 10 10 DGCE CC(C)[C@H](C)OC(=O)/C=C/c1ccc(N2CCOCC2)cc1 127097466 UWUIWKKWSCTSQX-PPYMECGQSA-N 303.402 3.124 10 10 DGCE CSc1cccc(N(C)C(=O)/C=C/c2cnn(C)c2C)c1 162333167 AWVWAYWLTDOTFT-CMDGGOBGSA-N 301.415 3.127 10 10 DGCE COCCNCc1ccc(N(C)Cc2ccco2)c(Cl)c1 163945312 ZHZJOZWXDFVTMZ-UHFFFAOYSA-N 308.809 3.305 10 10 DGCE Cc1ccc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)c(O)c1O 179409572 HOGYCNUBOLDBSV-UWVGGRQHSA-N 317.307 3.257 10 10 DGCE CCC[C@H](CNC(=O)OC(C)(C)C)NCc1ccccc1O 227762896 JYUQCYJSVLOYOW-CQSZACIVSA-N 308.422 3.175 10 10 DGCE COc1cccc(NC(=S)NCc2ncc(C)cc2C)c1 243785915 QHZAMCIDZCMAEI-UHFFFAOYSA-N 301.415 3.194 10 10 DGCE CCN1CC[C@H](CN[C@H](C)c2cc3c(cc2O)CCCC3)C1 248488725 GWDWINPSXOSFOZ-HUUCEWRRSA-N 302.462 3.263 10 10 DGCE CC(C)[C@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H](C)C[C@@H](C)C1 251685378 APQRTJKGUNXZCV-JKIFEVAISA-N 303.450 3.210 10 10 DGCE Cc1cc(C(=O)N(C)CCCCO)c(C)n1-c1ccc(F)cc1 276493386 STEFRINYIDSSLS-UHFFFAOYSA-N 318.392 3.078 10 10 DGCE CN(CCCOCc1ccccc1)c1ccc(CN)c(F)c1F 383871706 XPESQNLZTXBDOF-UHFFFAOYSA-N 320.383 3.467 10 10 DGCE C[C@H]1CC[C@@H](N(C)Cc2cc(Br)ccc2O)CO1 401535944 RRAZLOSAJTUAHV-GXFFZTMASA-N 314.223 3.154 10 10 DGCE CC(C)[C@H]1COC[C@@H]1NCc1cc(Cl)cc(Cl)c1O 699460583 YNJPGBVYPUFNRE-YPMHNXCESA-N 304.217 3.460 10 10 DGCE C[C@@H]1CN(c2ccc(OC(F)(F)F)cc2Cl)CC[C@H]1N 699643287 DYWYTOKONLMCNM-LDYMZIIASA-N 308.731 3.412 10 10 DGCE C[C@]1(C(F)(F)F)CN(Cc2cccc(Cl)c2O)CCO1 712804156 WKYUIAOEHQRHPV-GFCCVEGCSA-N 309.715 3.199 10 10 DGCE CCN(CC)c1ccc(CN(C)C/C=C(\C)C(=O)OC)cc1 748809996 OXWKKKGHBKXNSW-NTCAYCPXSA-N 304.434 3.084 10 10 DGCE C[C@H](NC(=O)c1cccc2nccnc12)c1ccc(N(C)C)cc1 773017263 VCGYLTHRVSUKQE-ZDUSSCGKSA-N 320.396 3.187 10 10 DGCE C[C@H](NC1(C(=O)Nc2ccccc2)CC1)c1cc(F)ccc1O 779081825 DFIXNBBKECMBMD-LBPRGKRZSA-N 314.360 3.353 10 10 DGCE CCC(C)(C)C1CCC2(CC1)C[C@H]2C(=O)OCC(=O)C(C)=O 808549595 IZNCSTSSNRYFCZ-FVRSWCFKSA-N 308.418 3.320 10 10 DGCE Cc1ccc(O)c([C@H](C)N[C@@H]2COc3ccc(F)cc3C2)c1 808729256 WIHVYWIQZLXETN-WFASDCNBSA-N 301.361 3.494 10 10 DGCE CN(C)c1ccc(CN2CCOC[C@@H]2CC2CCC2)cc1F 816667614 RLMBYAPWZMESMX-INIZCTEOSA-N 306.425 3.283 10 10 DGCE CC[C@@H]1[C@H](CO)CCN1Cc1ccc(N2CCCCC2)cc1 824636294 OODMAUSOOCOSBT-PKOBYXMFSA-N 302.462 3.270 10 10 DGCE O=C(NCCCSc1nccs1)N[C@@H]1CC[C@H]2C[C@@H]2C1 826692647 JKBKEWQQLNPOOJ-QJPTWQEYSA-N 311.476 3.113 10 10 DGCE COc1cc(Cl)cc(CNC[C@H]2CCN2C(C)(C)C)c1O 826791650 YWFUCXVGKMOPJN-CYBMUJFWSA-N 312.841 3.017 10 10 DGCE Cc1noc(C2CCC(N[C@@H]3CCc4cccc(O)c43)CC2)n1 834676565 WGPBKGNAGMGPLP-YMAMQOFZSA-N 313.401 3.387 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCC[C@@H](OC(F)F)C2)cc1 835047336 GGUQYTFPXLRSFX-OICCZTGUSA-N 310.388 3.469 10 10 DGCE COC[C@H]1CCN1C(=O)c1sccc1-n1c(C)ccc1C 843894197 UGYHPXSRTQVWRR-CYBMUJFWSA-N 304.415 3.017 10 10 DGCE CC[C@H](C(=O)OC(C)(C)C)N(C)Cc1cc(C)cc(OC)c1O 844759733 RLWICUOKTYTZJT-CQSZACIVSA-N 323.433 3.261 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3C[C@@]3(C)C(C)C)C2)cc1 855225523 KANXRFCCHQHFQD-FNHZYXHNSA-N 316.445 3.072 10 10 DGCE Fc1cc(CNC[C@@H]2CCCC23CC3)ccc1N1CCOCC1 858333194 YRQDGJPRJPETEL-INIZCTEOSA-N 318.436 3.332 10 10 DGCE Oc1cc(Br)ccc1CNCc1cc(C2CC2)no1 895765151 YWPQCWZFUHCKTP-UHFFFAOYSA-N 323.190 3.310 10 10 DGCE Cc1cccc(CO[C@@H](C)C(=O)NCc2c(O)cccc2F)c1 928709649 KHWMDFIQFWTPCA-ZDUSSCGKSA-N 317.360 3.061 10 10 DGCE Cc1cc(CN[C@]2(c3ccccc3)C[C@H](O)C2)ccc1N(C)C 1460740444 DMZQDTJSXNFTCJ-PUZFROQSSA-N 310.441 3.201 10 10 DGCE C[C@H](CCCc1ccccc1)C(=O)NCc1cccc(O)c1O 1528771167 LSBWMRYQJIBDMF-CQSZACIVSA-N 313.397 3.373 10 10 DGCE CCCCOc1ccc(C(=O)NCc2cc(O)ccc2O)cc1 1558174337 JMOKAFOVADLMIF-UHFFFAOYSA-N 315.369 3.207 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1cc(C)c(F)cc1N 1622319782 ZKBLJMFGAHOHBO-UHFFFAOYSA-N 316.376 3.474 10 10 DGCE CCOC(=O)CC(=O)[C@H](C)Sc1ncc(C(C)(C)C)s1 1640985236 CKVMDDFJXFLUOJ-VIFPVBQESA-N 315.460 3.444 10 10 DGCE Cc1ccc2[nH]c(C(=O)NCc3c(O)cccc3O)c(C)c2c1 1652625505 FZZBTCOAZSPQDB-UHFFFAOYSA-N 310.353 3.126 10 10 DGCE C[C@H](NC(=O)NC[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C)c1ccc(N(C)C)cc1 1671852162 RYGCXMBOOOHKAB-ZFOGPFJYSA-N 315.461 3.405 10 10 DGCE CCC[C@@H](C[C@@H](N)c1ccccc1O)NC(=O)OC(C)(C)C 1928471118 IJSIADFZUUAFLO-GXTWGEPZSA-N 308.422 3.476 10 10 DGCE Cc1cccc([C@@H]2[C@H](C(=O)O)CCN2C(=O)OC(C)(C)C)c1O 1952824929 FYDMBZVAOOADFZ-CHWSQXEVSA-N 321.373 3.083 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2CCCN(CCCN=[N+]=[N-])[C@@H]2C1 1962298942 JOUAWSDXHLLCEU-QWHCGFSZSA-N 309.414 3.018 10 10 DGCE Cc1sc(C(=O)NCCCN=[N+]=[N-])cc1Br 1963700460 ZILKANDSIXEJEW-UHFFFAOYSA-N 303.185 3.249 10 10 DGCE C[C@H]1CC[C@@H](CCNCc2c(O)cccc2Br)O1 1967775947 PBPUEWIJIWVMRC-QWRGUYRKSA-N 314.223 3.202 10 10 DGCE C[C@@H]1C[C@H](NCc2c(O)cccc2F)CN1Cc1ccccc1 1976872309 FEYRZPGGKKVFDV-ZBFHGGJFSA-N 314.404 3.284 10 10 DGCE CC[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1c1ccc(N)cc1 1977941830 FWMWVWUMTWFPCK-OAHLLOKOSA-N 319.449 3.495 10 10 DGCE [N-]=[N+]=NC1CN(C(=O)c2cc(Br)c(Cl)s2)C1 1981388350 LEOPSOHCRSAEHF-UHFFFAOYSA-N 321.587 3.299 10 10 DGCE C[C@@H](O)c1ccc(N2CC(C)(CF)C2)c(Br)c1 2008691114 AXMORPSHAMMASW-SECBINFHSA-N 302.187 3.298 10 10 DGCE Cc1nc(Br)sc1CN1CCC(N=[N+]=[N-])CC1 2011868579 AJMDIGYVEKZLAZ-UHFFFAOYSA-N 316.228 3.489 10 10 DGCE CC[C@H](O)CN(CC)c1ccc([C@H](C)N)c(Br)c1 2044553881 JTEKJANSXQIUNE-JQWIXIFHSA-N 315.255 3.066 10 10 DGCE CC[C@H](COC)N(C)c1ccc([C@@H](C)N)c(Br)c1 2047308848 OEBBSMVQVALNOE-GHMZBOCLSA-N 315.255 3.330 10 10 DGCE O=C(O)C=Cc1ccc(N2CC[C@H]2CF)cc1Br 2063238324 WPTRNLNQYDTZHG-NSHDSACASA-N 314.154 3.095 10 10 DGCE CN(Cc1ccc(N)cc1)Cc1c(O)cccc1Br 2092477254 DVWHSPWMYRILHP-UHFFFAOYSA-N 321.218 3.369 10 10 DGCE Cc1ccnc(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])c1Br 2225794522 GPHCQNNATWLUNE-BDAKNGLRSA-N 324.182 3.114 10 10 DGCE C[C@H](N)c1cc(F)c(N(C)C2CSCCSC2)c(F)c1 2237079457 WUWTWDTWOLWTDQ-VIFPVBQESA-N 318.458 3.269 10 10 DGCE CSc1ncc(CNCc2cccc(C)c2[N+](=O)[O-])s1 2284637249 CAPUHMOLKKFKPC-UHFFFAOYSA-N 309.416 3.371 10 10 DGCE CN1CCc2cc([C@@H](O)[C@@H](N)c3cc(Cl)cs3)ccc21 2290201997 JCXBKDWVCMYMQE-LSDHHAIUSA-N 308.834 3.127 10 10 DGCE CC(C)CN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S 2293749556 GTERZIGSSVHHRI-UHFFFAOYSA-N 321.423 3.273 10 10 DGCE Cc1cc(C=CC(=O)N2CC[C@@](C)(O)C2)c(C)n1-c1ccccc1 2298115577 QUUSXYPGLVGNKB-HXUWFJFHSA-N 324.424 3.091 10 10 DGCE C[C@H](N)c1ccc(N2C[C@@H]3C[C@H]2[C@@H]2C[C@H]32)cc1Br 2308721220 UTWDGEGATVKERC-JJJPVPFUSA-N 307.235 3.313 10 10 DGCE CN1C(=O)C(=Cc2ccc(N3CCCCC3)o2)SC1=S 2314646718 KSOAAWFILAVRIB-UHFFFAOYSA-N 308.428 3.101 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)n1 2335599414 VTZIEMWGIAEVMK-QMMMGPOBSA-N 300.149 3.303 10 10 DGCE Cc1ccc(CNC(=O)c2ccoc2C)c(O)c1Br 2352628541 UDYDVQOJVUTFCL-UHFFFAOYSA-N 324.174 3.295 10 10 DGCE CCN(CCOC)c1c(F)cc(CNCC(C)C)cc1F 62737251 GEQKWESWFAZAGS-UHFFFAOYSA-N 300.393 3.183 10 10 DGCE Cn1cccc1[C@H]1CCCCN1Cc1cc2c(cc1O)OCO2 93845537 MRGMPDORPBHZSV-OAHLLOKOSA-N 314.385 3.187 10 10 DGCE COC(=O)C[C@@H](NCc1cccc(C)c1O)c1cccs1 164988768 DFBJRPVPPBWPTN-CYBMUJFWSA-N 305.399 3.156 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1cccc(O)c1 171239595 MREWKXWEBDROJB-UHFFFAOYSA-N 312.413 3.049 10 10 DGCE C[C@@H](c1cccs1)N(C)C(=O)CN(C)Cc1ccccc1O 171926910 OARLXPKTHVSUSP-ZDUSSCGKSA-N 318.442 3.105 10 10 DGCE C[C@H](N)c1ccc(N(C)C[C@@H]2CCCO2)cc1Br 235498263 KOGCPJSTFRWXBZ-JQWIXIFHSA-N 313.239 3.084 10 10 DGCE C[C@@H](N[C@H]1CCc2cccc(O)c21)c1ccc(-n2cncn2)cc1 295853414 GDMBUCVADJVLIH-DYVFJYSZSA-N 320.396 3.311 10 10 DGCE C[C@@H]1CN(Cc2ccccc2)C[C@H]1NCc1ccc2c(c1)CCO2 389866912 MALQOJFNDZGVRW-OXQOHEQNSA-N 322.452 3.232 10 10 DGCE Cc1cc(S(=O)(=O)N2CCC[C@@H](N=[N+]=[N-])C2)sc1Cl 403683643 VNCXCXYVWJPZQN-MRVPVSSYSA-N 320.827 3.173 10 10 DGCE C/C=C/CNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC 629042305 IKFFFQFURZNQOT-AATRIKPKSA-N 300.402 3.210 10 10 DGCE C[C@@H](NCc1ccc(Br)cc1O)[C@H]1CCCCO1 691467560 IEMDSQRDDNTSMM-QMTHXVAHSA-N 314.223 3.202 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@](C)(NCc2cccc(F)c2O)C1 701874639 CQUUXYSZFUXXEI-KRWDZBQOSA-N 324.396 3.020 10 10 DGCE Cc1cc(CCNC(=O)c2cccn2C)c(C)n1-c1ccccc1 746427942 ZYQMBEDIBQDXPQ-UHFFFAOYSA-N 321.424 3.405 10 10 DGCE Cn1cc(/C=C\C(=O)N(Cc2ccccc2)c2ccncc2)cn1 779363447 IXLUHHHFLLBKTQ-FPLPWBNLSA-N 318.380 3.062 10 10 DGCE COc1ccc(CNC(=O)/C=C(\C)c2cccc(F)c2)c(O)c1 794387462 ILFFATDUFGLHFT-XYOKQWHBSA-N 315.344 3.260 10 10 DGCE CC(C)[C@H]1CC[C@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1 796703703 UIBDHQLCXNYVLE-SJLPKXTDSA-N 320.452 3.311 10 10 DGCE c1cc(N2CCOCC2)ccc1CN[C@@H]1CC[C@H]1C1CCC1 800968478 OUARFKQFNUVGHX-RBUKOAKNSA-N 300.446 3.192 10 10 DGCE CC[C@@H](NCc1cn(C)nn1)c1cc(Cl)cc(Cl)c1O 806157419 FSWPCMZYFQCVLC-GFCCVEGCSA-N 315.204 3.068 10 10 DGCE CO[C@H]1CC[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C1 822897845 CUPRNLLEUWJSPY-WMZOPIPTSA-N 318.461 3.305 10 10 DGCE CCCN(C)C[C@H]1CCN(C/C=C\c2ccc(N(C)C)cc2)C1 835027119 BJQSDCNUTLPSRF-LIXSYLKWSA-N 315.505 3.430 10 10 DGCE Cc1cc(O)c(CN(C[C@H]2CCC(=O)N2)C(C)C)cc1C(C)C 840187661 WDFDKKSAGCYZIR-MRXNPFEDSA-N 318.461 3.313 10 10 DGCE C[C@H](O)[C@H](NCc1c(O)cccc1Cl)c1ccccc1F 846018272 SGQDPFRSZKOVON-QFYYESIMSA-N 309.768 3.396 10 10 DGCE Cc1ccc([C@H](NC(=O)c2cc(O)cs2)C(F)(F)F)o1 848391710 OBFVIQJVDZEIMB-JTQLQIEISA-N 305.277 3.389 10 10 DGCE COc1cc(Br)cc(CN[C@H]2[C@H]3CCC[C@H]32)c1O 850393748 VVFLKCPQUPZDSH-PTEHBNRSSA-N 312.207 3.051 10 10 DGCE COC(=O)c1cc(OCCC(F)=C(F)F)ccc1N(C)C 865395342 OXUXJJIZFGAPGV-UHFFFAOYSA-N 303.280 3.386 10 10 DGCE Cc1cc(N(C)C)ccc1CN[C@@H](C)c1cn2c(n1)CCCC2 925077443 ALWWGJVMEFFELO-HNNXBMFYSA-N 312.461 3.445 10 10 DGCE O=C(CCC1CCOCC1)NCc1c(O)ccc2ccccc12 1179030067 YPMCQYMXUNZDIJ-UHFFFAOYSA-N 313.397 3.368 10 10 DGCE O=C(NCc1ccc(OC(F)F)cc1F)c1cc(O)cs1 1302522494 XKEDDJCKRVMNSK-UHFFFAOYSA-N 317.288 3.124 10 10 DGCE O=C(c1scnc1C(F)(F)F)N1Cc2cccc(O)c2C1 1455036058 DTKUSPALJIMTOC-UHFFFAOYSA-N 314.288 3.024 10 10 DGCE CC(C)C(=O)Nc1cccc(OC(=O)c2cc(O)cs2)c1 1465033013 RBHUGUCMDISZLA-UHFFFAOYSA-N 305.355 3.267 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC[C@@H]1C=CCC1 1479184653 VNEGXOWNQJQUNA-MRXNPFEDSA-N 313.445 3.394 10 10 DGCE O=C(NCCCc1ccsc1)N1Cc2cccc(O)c2C1 1519910858 FJRQUGXJBQNABP-UHFFFAOYSA-N 302.399 3.112 10 10 DGCE Cc1ncccc1/C=C\C(=O)N1C[C@H](C)Oc2cc(F)ccc21 1523588045 VGMREMYJIHRYBB-JECSTDCCSA-N 312.344 3.356 10 10 DGCE O=C(CCCc1cccnc1)Nc1c(Cl)ccc2nonc12 1525081239 OIBQYFFENXAZHY-UHFFFAOYSA-N 316.748 3.233 10 10 DGCE CCCC[C@@H](C)C(=O)N(C)CCN(C)c1ccc(OC)cc1 1531375038 PQPVDPKUOUFRLT-OAHLLOKOSA-N 306.450 3.416 10 10 DGCE C/C(=C\C(=O)N(C)c1ccc2ccccc2n1)c1cnccn1 1538064077 AZTHCNUHUFOKDT-ACCUITESSA-N 304.353 3.091 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N(CC1CCCCC1)C1CC1 1596925175 MLNALEGRUDXHMG-UHFFFAOYSA-N 303.402 3.212 10 10 DGCE COc1ccc(CN[C@@H](C)CNC(=O)CCC2CCC2)cc1C 1690564670 STGJTQNEEOVDDX-HNNXBMFYSA-N 318.461 3.178 10 10 DGCE CCCOc1ccc(C(=O)Oc2ccc(N)cc2)cc1[N+](=O)[O-] 1860405773 YTBINDBTSMGENA-UHFFFAOYSA-N 316.313 3.185 10 10 DGCE CCCN1N=C(C)/C(=C\c2cccc(Br)c2)C1=O 1865656657 QGYIPMRLVRJONM-UKTHLTGXSA-N 307.191 3.461 10 10 DGCE Nc1cccc(Br)c1NC1CCC2(CCNC2)CC1 1876329066 LODPZWQTMPNREK-UHFFFAOYSA-N 324.266 3.366 10 10 DGCE CN[C@@H](c1ccccc1O)C1(NC(=O)OC(C)(C)C)CCC1 1928474204 KAQFLOKKVKNJTD-AWEZNQCLSA-N 306.406 3.100 10 10 DGCE CN[C@@H](c1ccccc1O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 1936970400 LPCXOFUEHZIWKH-DVOMOZLQSA-N 320.433 3.346 10 10 DGCE CCN[C@H](c1ccccc1O)[C@@H]1CCCN1C(=O)OC(C)(C)C 1936986771 LUNWUPNPGLXONV-GOEBONIOSA-N 320.433 3.442 10 10 DGCE CN[C@H](c1ccccc1O)[C@@H]1C[C@@H](F)CN1C(=O)OC(C)(C)C 1938632067 LSDKBRIWXFYNSL-OSAQELSMSA-N 324.396 3.000 10 10 DGCE CC(C)(C)OC(=O)N[C@H](c1ccccc1O)C(C)(C)C(=O)O 1951952748 CFOYGNAEXRRMOO-GFCCVEGCSA-N 309.362 3.069 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H](F)C[C@@H]1c1cc(N)ccc1O 1953054338 XAVDRDYGVXJJEP-ZWNOBZJWSA-N 310.369 3.385 10 10 DGCE COc1ccc(Br)c(CN[C@H](C)CC(F)F)c1O 1964060742 MNTXRSBTRUPJDA-SSDOTTSWSA-N 324.165 3.297 10 10 DGCE CN[C@H](c1ccccc1O)[C@H]1[C@@H](NC(=O)OC(C)(C)C)C1(C)C 1976938768 BGIJOQOCFGLSOI-RRFJBIMHSA-N 320.433 3.202 10 10 DGCE C[C@@H](N(CCc1ccc(N)cc1)Cc1ccccc1)C(C)(C)O 1980735063 YKQWXJTZHMUYJF-MRXNPFEDSA-N 312.457 3.473 10 10 DGCE C[C@H](O)c1cc(F)c(N(Cc2ccccc2)[C@@H](C)CO)c(F)c1 1990401193 STMBLVSOQFVFKW-STQMWFEESA-N 321.367 3.406 10 10 DGCE C[C@@H](O)c1ccc(N2CC=C[C@H]2CF)cc1Br 2024024644 XECVUKOCBILRBK-KOLCDFICSA-N 300.171 3.217 10 10 DGCE CC[C@H](O)CN(CC)c1ccc([C@@H](C)N)c(Br)c1 2044553882 JTEKJANSXQIUNE-PWSUYJOCSA-N 315.255 3.066 10 10 DGCE Cc1ccc(O)c(Cn2nc(CN(C)C)cc2C(F)(F)F)c1 2079161743 ZCYYNHAHQAIGCL-UHFFFAOYSA-N 313.323 3.026 10 10 DGCE CC(C)OC[C@@H]1CCN(c2cc(Cl)c(CN)cc2F)C1 2177391074 YMWGMIYRTHOWRZ-LLVKDONJSA-N 300.805 3.189 10 10 DGCE CNCc1cc(F)c(N(C)C[C@@H](F)C(F)(F)F)c(F)c1 2179756918 ZRYULXJPTKWDOD-SNVBAGLBSA-N 300.246 3.021 10 10 DGCE CCc1nn(C)c(NCc2cccc(C)c2O)c1Br 2226819717 LFVZKWODXBLFQZ-UHFFFAOYSA-N 324.222 3.371 10 10 DGCE CSc1ncc(CNC[C@@]23CC[C@@](C(F)F)(CO2)C3)s1 2287215417 BIHGVBIGAKQBDN-STQMWFEESA-N 320.430 3.159 10 10 DGCE COc1ccc2c(C=C3SC(=S)N(C)C3=O)c[nH]c2c1 2296607554 QWVIAIPIMRUCKV-UHFFFAOYSA-N 304.396 3.008 10 10 DGCE O=C1C(=Cc2ccccn2)SC(=S)N1c1ccc(O)cc1 2297469975 FPRYDQLTSCDWJM-UHFFFAOYSA-N 314.391 3.193 10 10 DGCE Cc1ccc(CNC(=O)[C@@]2(C)C[C@@H]2C)c(O)c1Br 2327590807 BXCFTOJHONTOIO-XPTSAGLGSA-N 312.207 3.125 10 10 DGCE CCC1=NN(Cc2ccc(F)cc2)C(=O)C1=Cc1ccccn1 2332128563 FYGKJPUPKHIWMK-UHFFFAOYSA-N 309.344 3.413 10 10 DGCE Cc1ccc(CN[C@H](C)c2cncn2C)c(O)c1Br 2352940337 DGEJKABTDDTJBI-SNVBAGLBSA-N 324.222 3.047 10 10 DGCE Oc1ccc(CNCc2cc(Cl)c(O)c(Cl)c2)cc1O 2365722909 ZVOTXGKCPBEDCX-UHFFFAOYSA-N 314.168 3.400 10 10 DGCE CC(=O)c1nnn(-c2c3ccccc3nc3ccccc23)c1C 39175079 QTLJFYVBZNSRLM-UHFFFAOYSA-N 302.337 3.480 10 10 DGCE CCOc1ccc(N2CC[C@@H](CNCc3cccnc3)C2)cc1 76364910 IVTVDPFYBJYSTJ-KRWDZBQOSA-N 311.429 3.096 10 10 DGCE COc1ccc(N(C)C(=O)/C=C/c2cncc(C)c2)c(OC)c1 127667451 QRLKRMILEQONRZ-VMPITWQZSA-N 312.369 3.083 10 10 DGCE CN[C@@H]1C(=O)Nc2cc(N3CC[C@H](C(C)C)C3)c(Cl)cc21 160340980 HALDTTUESJZPIY-BONVTDFDSA-N 307.825 3.035 10 10 DGCE Cc1ccc(O)c([C@@H](C(N)=S)N(C)Cc2ccccc2)c1 211970965 MWUXJDBSLCWVGW-INIZCTEOSA-N 300.427 3.160 10 10 DGCE c1ccc(CN2CCC[C@@H]2CNCc2ccc3c(c2)CCO3)cc1 236592863 YOBCSFDQYYVPHN-HXUWFJFHSA-N 322.452 3.376 10 10 DGCE CC[C@H](NCCCCN1C[C@H](C)O[C@@H](C)C1)c1ccccc1O 248561688 NFJQXTGOQOCQQT-BQFCYCMXSA-N 320.477 3.322 10 10 DGCE CCN[C@@H]1C(=O)Nc2cc(N3C[C@@H](C)C[C@H]3C)c(Cl)cc21 253074002 PHKFMIZCZFXJRT-WMFXKJRFSA-N 307.825 3.177 10 10 DGCE C[C@H](c1cc(Cl)ccc1O)N1CC[S@](=O)C(C)(C)CC1 322112142 LLPZQVXFQJZDEG-GIPWTMENSA-N 315.866 3.340 10 10 DGCE CCN(CC)c1ccc(CN[C@@H]2CCc3nc[nH]c3C2)cc1F 368220053 DQWROZIZDQLCEJ-CQSZACIVSA-N 316.424 3.042 10 10 DGCE CN1CC[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3O)C[C@H]2C1 383345532 XZZBFSGBNQBPOD-ZYHUDNBSSA-N 315.244 3.083 10 10 DGCE Cc1cc(N2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)ccc1CO 687218499 CCTASHBQLWPZAO-OYRHEFFESA-N 322.452 3.341 10 10 DGCE Oc1cc(Br)ccc1CNCC1(C(F)F)CC1 691440965 UCMXYWDIZDIAGF-UHFFFAOYSA-N 306.150 3.290 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)Cc1cccc(Br)c1 692826397 FZTLKOYLSLZLSB-GFCCVEGCSA-N 323.194 3.293 10 10 DGCE C[C@@H]1CN(c2ccc(CO)cc2Cl)C[C@@](C)(C(F)F)O1 698789907 YATQSQXNROCNGB-OTYXRUKQSA-N 305.752 3.081 10 10 DGCE Cc1ccc([C@H](C)NC[C@H]2COc3ccccc3O2)c(O)c1C 756353463 ZQACBUGPNHCILA-GJZGRUSLSA-N 313.397 3.500 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](C)c1cn[nH]c1 757583776 XTSGYNJFYXWDER-GFCCVEGCSA-N 314.414 3.370 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](OC)C1CCCC1 824234312 HWTUODSSJXMRLC-SFHVURJKSA-N 318.461 3.306 10 10 DGCE COc1ccc(O)c(CNC[C@@H]2C[C@H](c3ccccc3)CO2)c1 827237626 VHQOAFZYQJFFPQ-WMZOPIPTSA-N 313.397 3.063 10 10 DGCE COc1ccc(O)c(CNC/C=C\c2ccc(N(C)C)cc2)c1 835040429 PGPINKBEDKMDHT-PLNGDYQASA-N 312.413 3.270 10 10 DGCE CN(C)c1ccc(/C=C/CNC[C@@H]2COC3(CCCC3)O2)cc1 835042531 JBCNCRGRUXASHS-DUMMIQTOSA-N 316.445 3.041 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCC[C@@H](C)F 840378224 DAYRZNUUVGZJQM-ZIAGYGMSSA-N 309.429 3.039 10 10 DGCE Cc1cc(O)c([C@@H]2NC3(CC3)C(=O)N2c2ccccc2)cc1C 840831044 ZHUPIRBUYHMMMP-QGZVFWFLSA-N 308.381 3.177 10 10 DGCE Oc1c(CN2CCC(Cn3cnnc3)CC2)ccc2ccccc12 846057134 SMKAJIPBSHKJEX-UHFFFAOYSA-N 322.412 3.049 10 10 DGCE CC[C@H](CC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)C(C)C 855228851 FJCKYHYECBOXCW-CVEARBPZSA-N 318.461 3.462 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)OCCC(C)C)C2)cc1 859217550 NQPVIEZWZZIVET-CQSZACIVSA-N 306.406 3.046 10 10 DGCE Cc1ccc(O)c(CNC(=O)[C@@H]2CC[C@H](C(F)(F)F)C2)c1 862756345 WAWFFIXCUVPSOW-PWSUYJOCSA-N 301.308 3.295 10 10 DGCE CC[C@@H](NCCCSc1nccs1)[C@@H]1CCCOC1 872038473 NZCAHFKWFYOIHL-CHWSQXEVSA-N 300.493 3.420 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)NCC[C@@H]2CCCC2(F)F)cc1 899203403 MHTGBKLHOSISCN-NSHDSACASA-N 324.331 3.404 10 10 DGCE CC(C)[C@H](NC/C=C\c1ccc(N(C)C)cc1)c1cnn(C)c1 922894302 OXGZPTIJRADJQX-RURPWVQCSA-N 312.461 3.486 10 10 DGCE Cc1ncccc1/C=C/C(=O)N1CCCc2c1cccc2[N+](=O)[O-] 1127661008 VBQKANAGKWEKPK-MDZDMXLPSA-N 323.352 3.291 10 10 DGCE COC(=O)c1cnc(SCc2cnc3ccccc3n2)s1 1166233890 CDUQOLADHCHGMU-UHFFFAOYSA-N 317.395 3.165 10 10 DGCE CCC1(C(=O)NCc2c(O)cccc2O)CCC(F)(F)CC1 1178917230 MJLWPVMMOHENFS-UHFFFAOYSA-N 313.344 3.320 10 10 DGCE O=C(CC1(O)CCCCC1)NCc1c(O)ccc2ccccc12 1179032205 AGBJVSXXFMMCNN-UHFFFAOYSA-N 313.397 3.247 10 10 DGCE CCN1CC[C@H](N(C)Cc2ccc(N3CCCC3)cc2)[C@@H](C)C1 1319717060 KGKAYNOIMZDCOT-PXNSSMCTSA-N 315.505 3.449 10 10 DGCE O=C(Nc1ccc(F)cn1)c1cc2cc(O)c(O)cc2s1 1441801058 RJENLBHNEZVETN-UHFFFAOYSA-N 304.302 3.099 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCC[C@@H](C)F 1569839629 NYTRVPAGWBOTCG-GFCCVEGCSA-N 316.376 3.385 10 10 DGCE COC(=O)c1cnc(Sc2ncnc3ccsc23)s1 1612423211 SERBGODFVZRFEG-UHFFFAOYSA-N 309.397 3.086 10 10 DGCE C[C@@H](NC(=O)CCc1nc2ccccc2[nH]1)c1ccccc1O 1632247227 VYFWTDDRICCSFO-GFCCVEGCSA-N 309.369 3.079 10 10 DGCE CC(C)(C)c1ccc(O)c(NC(=O)Cc2ccc(O)c(O)c2)c1 1636741374 GDTKTXHLNIIMTF-UHFFFAOYSA-N 315.369 3.282 10 10 DGCE Cc1ccc(C(=O)NCc2ccc(O)cc2O)c2ccccc12 1643104160 NZCHWJGUSCSQOO-UHFFFAOYSA-N 307.349 3.489 10 10 DGCE Cc1ccc(-n2c(C)cc(C(=O)NC[C@H]3CCCO3)c2C)cc1 1874030578 DETMUGCBEKVISX-QGZVFWFLSA-N 312.413 3.311 10 10 DGCE CC[C@H](O)CN(Cc1ccccc1)c1ccc(CN)c(F)c1F 1915380569 ZYBZEBQPICQKHL-HNNXBMFYSA-N 320.383 3.201 10 10 DGCE CC(C)(O)CCN(CCc1ccc(N)cc1)Cc1ccccc1 1915739315 KCSQYNVGYSMEQF-UHFFFAOYSA-N 312.457 3.475 10 10 DGCE CN[C@@H](c1ccc(N(C)C)cc1)[C@H](C)CNC(=O)OC(C)(C)C 1977946835 YDLQZNFZKJNZOG-CZUORRHYSA-N 321.465 3.174 10 10 DGCE C[C@@H](N)c1ccc(N2CCC[C@@H]2CF)c(Br)c1 2004419146 CWVPWCQRAQHLIL-MWLCHTKSSA-N 301.203 3.407 10 10 DGCE CC[C@H]1CCOC[C@H]1NCc1cc(Br)ccc1O 2035128790 GPWPTGPHNUXDQY-GXFFZTMASA-N 314.223 3.059 10 10 DGCE CC[C@H](COC)N(C)c1ccc([C@@H](C)O)c(Br)c1 2047313236 WZGZHAMTAOWAEM-GHMZBOCLSA-N 316.239 3.364 10 10 DGCE C[C@H](N)c1ccc(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@@H]32)c(Br)c1 2053731834 YQPHRBFMDJCPND-WJYQBBMDSA-N 307.235 3.313 10 10 DGCE CO[C@H](C)CCN(C)c1ccc([C@H](C)N)cc1Br 2059358341 CVFYRQJYWYMJND-MNOVXSKESA-N 315.255 3.330 10 10 DGCE COc1cccc(O)c1[C@@H](C)n1ncc(C)c1Br 2070302224 XQYDNXVCBNILOG-SECBINFHSA-N 311.179 3.278 10 10 DGCE COc1ccc(N(C)Cc2c(C)nn(C)c2Br)cc1 2129352457 LTNUIQHWEVSPOX-UHFFFAOYSA-N 324.222 3.136 10 10 DGCE CCOC(=O)C1CCC(Sc2ncc([C@H](C)O)s2)CC1 2159805979 PXFRKLNASIWEHY-WHXUTIOJSA-N 315.460 3.410 10 10 DGCE CN(c1cc(Cl)c(CN)cc1F)[C@@H]1CCOC(C)(C)C1 2177381953 SZRINDVUQFBMJM-LLVKDONJSA-N 300.805 3.332 10 10 DGCE C[C@@H](O)c1ccc(N(C)[C@H](CCO)C(F)(F)F)c(Cl)c1 2178512620 WZDZNTZJCGTUMR-PRHODGIISA-N 311.731 3.143 10 10 DGCE COC[C@](C)(CN(C)[C@@H](C)c1ccc(Cl)cc1O)OC 2203363274 RFTBGMIAJSZUAE-NHYWBVRUSA-N 301.814 3.090 10 10 DGCE Nc1ccc(CCNc2ccc(N)c(Br)c2)cc1 2221889636 GFDWVIJGFGYCOQ-UHFFFAOYSA-N 306.207 3.268 10 10 DGCE COC[C@H]1CCN(c2cc(Cl)c(CN)cc2F)C1(C)C 2236693506 IDQNXWJNMPZOBA-LLVKDONJSA-N 300.805 3.189 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)c2cocc2Br)CC1 2258141076 GWIGKKDBSFCJTC-QMMMGPOBSA-N 313.155 3.347 10 10 DGCE CN(Cc1nncs1)c1ccc(CNC2CC2)cc1Cl 2281381852 VBBKBYZRSCBHKK-UHFFFAOYSA-N 308.838 3.080 10 10 DGCE CN(C[C@H]1C[C@H](F)C1)c1ccc(CO)c(Br)c1 2307376851 GPVCBDQCJFTSPR-HOMQSWHASA-N 302.187 3.126 10 10 DGCE Cc1cccn2c(N=Nc3ccccc3O)c(CC(=O)O)nc12 2320769576 YRJLRTWCPHONNU-UHFFFAOYSA-N 310.313 3.391 10 10 DGCE Cc1ccc(CN[C@H]2CC[C@H](C)OC2)c(O)c1Br 2327800309 ITIJXDOOCHICET-JQWIXIFHSA-N 314.223 3.120 10 10 DGCE CN(Cc1ccccc1O)C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F 175507219 WAMWPYAJUJXZTO-ZFWWWQNUSA-N 317.335 3.433 10 10 DGCE C[C@H](NCC[C@H]1CCCCO1)c1ccc(N2CCOCC2)cc1 180265892 QLLIWXYHIGNYNB-QFBILLFUSA-N 318.461 3.133 10 10 DGCE Nc1ccc(CC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)cc1 211594504 FVADVTCWNOLFNZ-UHFFFAOYSA-N 305.721 3.012 10 10 DGCE Cc1nc2cc(C(=O)O)ccn2c1/N=N\c1ccc2c(c1)OCO2 71593198 PBZUHOXSUKNNFI-HNENSFHCSA-N 324.296 3.485 10 10 DGCE COc1ccc(O)c([C@@H](C)NCCCc2nc(C(C)C)no2)c1 185319252 PUBKBZQVJMWUSU-GFCCVEGCSA-N 319.405 3.191 10 10 DGCE CSc1ccc(CNC(=O)c2ccc(C)c(O)c2O)cc1 182219423 JVQLFNRAHLVZFW-UHFFFAOYSA-N 303.383 3.058 10 10 DGCE CC[C@H](Nc1cnn(CCOC)c1)c1ccc(N(C)C)cc1 182462452 BBOQYLHDQVGSSN-KRWDZBQOSA-N 302.422 3.159 10 10 DGCE COc1ccc(O)c(CN[C@@H](c2ncc[nH]2)c2cccs2)c1 195070886 HMEHXUZXDUQLFA-OAHLLOKOSA-N 315.398 3.065 10 10 DGCE CCCCC(=O)NCc1nc(-c2ccc(O)c(O)c2)cs1 49699375 YOXCSANIEAWBLX-UHFFFAOYSA-N 306.387 3.028 10 10 DGCE CC(C)OCCN(C)c1ccc([C@H](C)N)c(Br)c1 232692543 HCAVYZLFVODETB-NSHDSACASA-N 315.255 3.330 10 10 DGCE CC[C@H]1COCCN1c1ccc([C@H](C)N)c(Br)c1 234099362 NADJOVHPEGIWRY-QWRGUYRKSA-N 313.239 3.084 10 10 DGCE Oc1ccc2c(n1)CCC[C@H]2NCc1cc(Cl)cc(F)c1O 809728620 DBFMMZFBNGNKEA-CYBMUJFWSA-N 322.767 3.453 10 10 DGCE COC(=O)c1cncnc1Sc1ncc(C(C)(C)C)s1 804551855 UQXUAVXCWVMSOA-UHFFFAOYSA-N 309.416 3.168 10 10 DGCE CN1CCc2cc([C@@H](N)[C@H](O)c3ccsc3Cl)ccc21 2163136403 SJUPOAPKIDPIDV-ZIAGYGMSSA-N 308.834 3.127 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[C@H]2C[C@@H]2C1 827630128 FHNRHDCCYXMVMM-ARFHVFGLSA-N 301.434 3.083 10 10 DGCE O=C(NCc1ccccc1O)N[C@@H]1CCCc2c(F)cccc21 838062304 SDRPRKMWSYBXHA-MRXNPFEDSA-N 314.360 3.408 10 10 DGCE Cc1cc(C)c2c(c1)CCN(C(=O)/C=C\c1ccc(O)c(O)c1)C2 588530364 LDMQXWIIBRVSDN-XQRVVYSFSA-N 323.392 3.313 10 10 DGCE C[C@H](NC1CC(CC(N)=O)C1)c1ccc(Cl)c(Cl)c1O 903261603 YRVOZFJVLCUSEC-UEJVZZJDSA-N 317.216 3.004 10 10 DGCE CN(C)CC1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 835025046 GBFSXYOKKARYRF-AATRIKPKSA-N 301.478 3.039 10 10 DGCE Cc1cc(O)c(CN2CCS[C@@H]3COCC[C@H]32)c(Cl)c1 840923298 SALKZICBNCIJRA-UKRRQHHQSA-N 313.850 3.060 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)[C@@]3(C)CC=CCC3)C2)cc1 855222821 AZNGIKDQTGVCOK-KXBFYZLASA-N 314.429 3.137 10 10 DGCE COC(=O)C1=CC[C@H](NCc2ccc(N3CCCCC3)cc2)C1 862464744 HMRHDBFQTHVMSY-KRWDZBQOSA-N 314.429 3.028 10 10 DGCE COc1ccc(O)c([C@H](C)NCC[C@@H](OC)C(F)(F)F)c1 786953128 KRZPGHBSQSGUOL-TVQRCGJNSA-N 307.312 3.019 10 10 DGCE CN[C@H](c1ccccc1O)[C@@H]1C[C@H]1[C@@H](C)NC(=O)OC(C)(C)C 1895336032 NWXCOPMTYLEKFL-UZMCECQYSA-N 320.433 3.202 10 10 DGCE COc1ccc(O)c(CNC[C@]2(C)CCOC3(CCC3)C2)c1 895822516 ODHIKHRDTVRNTH-QGZVFWFLSA-N 305.418 3.230 10 10 DGCE Cc1ccc(C(=O)Nc2cnoc2)cc1-n1c(C)cc(C=O)c1C 1136569026 APDWARRGMYRXKW-UHFFFAOYSA-N 323.352 3.455 10 10 DGCE Cc1ccsc1[C@H](CO)NCc1c(O)ccc(Cl)c1F 790972826 HVKHNRGKVQZMEG-NSHDSACASA-N 315.797 3.378 10 10 DGCE CCOC(=O)[C@@H]1CC[C@H](NCc2c(O)ccc(Cl)c2F)C1 798089384 TUSQLBMGXXKRFP-ZJUUUORDSA-N 315.772 3.006 10 10 DGCE COc1cc(NS(=O)(=O)c2cccc(C(C)C)c2)ccc1O 797819378 HPFJQGUUUFRHEQ-UHFFFAOYSA-N 321.398 3.325 10 10 DGCE CCC[C@@H]([C@@H](N)c1ccccc1O)N(C)C(=O)OC(C)(C)C 1958142394 GCFKGNOKEAZAAY-ZFWWWQNUSA-N 308.422 3.428 10 10 DGCE CCn1cccc1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C 1142418563 GMEJCEOFOSZILV-OAHLLOKOSA-N 313.445 3.243 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H](Nc2ccc(N)cc2)C2(CC2)C1 1959367286 WDDCAGBKOASFSL-CQSZACIVSA-N 303.406 3.080 10 10 DGCE CCN(Cc1cc(Br)cc(F)c1O)C[C@H](C)OC 715772065 MRTLJCXWSGXUSB-VIFPVBQESA-N 320.202 3.151 10 10 DGCE Nc1ccc(CCC(=O)NC2CC(OCc3ccccc3)C2)cc1 716210641 AABJYKXOEWMXSI-UHFFFAOYSA-N 324.424 3.065 10 10 DGCE C[C@H](N)c1ccc(N(CCO)C(C)(C)C)cc1Br 689948684 SCOQWIAMBILJLI-JTQLQIEISA-N 315.255 3.066 10 10 DGCE O=C(NCc1cccc(Cl)c1O)c1ccnc(Cl)c1F 1180409841 GFZHRFQZYYTOJW-UHFFFAOYSA-N 315.131 3.163 10 10 DGCE COC(=O)c1cc(OC[C@@H]2CCCC(C)(C)O2)ccc1N(C)C 1189977038 FFCYKDZZFQZNFF-AWEZNQCLSA-N 321.417 3.266 10 10 DGCE COc1ccc(CN[C@@H](C)CNC(=O)CC2CCCC2)cc1C 1266918693 DLDPUJSDODRCCW-HNNXBMFYSA-N 318.461 3.178 10 10 DGCE CC[C@@H](C)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(OC)c1 212667660 RANLUEKGERULLT-KFWWJZLASA-N 306.450 3.197 10 10 DGCE Cc1ccc([C@H](C)NCc2cnn(C)c2Br)c(O)c1 2116555671 UABBQLHYBVNIDL-JTQLQIEISA-N 324.222 3.047 10 10 DGCE CC[C@@H](C)CC(=O)N1CC[C@@H](NCc2ccc(OC)c(C)c2)C1 1479761666 SRLGKYGMTBQYIG-RHSMWYFYSA-N 318.461 3.130 10 10 DGCE C[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@@H](c2ccco2)C1 1629953456 AFGMZQQYALFLML-GXTWGEPZSA-N 315.369 3.233 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H]1c1ccc(Cl)cc1 1623755845 YOLLCSQNANTOMK-CQSZACIVSA-N 317.772 3.267 10 10 DGCE O=C(c1c(F)ccc(O)c1O)N1CCC[C@H](C2CCCC2)C1 1654858826 GZDNBIWAKXWVRH-LBPRGKRZSA-N 307.365 3.279 10 10 DGCE CC1(C)C(NC(=O)c2cc3cc(O)c(O)cc3s2)C1(C)C 1587699189 UOWQQVWOYLCJTH-UHFFFAOYSA-N 305.399 3.477 10 10 DGCE COc1ccc(N(C)CCN(C)C[C@@H]2CCCC(C)(C)O2)cc1 1654114821 RLJDCDHOLDPGBB-SFHVURJKSA-N 320.477 3.411 10 10 DGCE [N-]=[N+]=NCCN1C[C@]23CCC[C@]2(C1)CN(Cc1ccccc1)C3 1912172167 CDNSAZSVZLEQAA-ROUUACIJSA-N 311.433 3.285 10 10 DGCE CC(C)c1ccc(/C=C2\SC(=S)N(CCO)C2=O)cc1 16904844 UHQMOHPNUPTJRO-LCYFTJDESA-N 307.440 3.004 10 10 DGCE CC[C@H]1CN(c2ccc(CNC)c(C(F)(F)F)c2)CCO1 167358363 HAPJBWCLMVQXSB-ZDUSSCGKSA-N 302.340 3.040 10 10 DGCE COc1ccc(O)c(CNC(=O)C(C)(C)c2cccs2)c1 155943465 IVTATDHNSRVFNQ-UHFFFAOYSA-N 305.399 3.056 10 10 DGCE CCC[C@H](NCc1ccc(N2CCOCC2)c(F)c1)C1CC1 159028501 IEDFDRVSXILOAO-KRWDZBQOSA-N 306.425 3.331 10 10 DGCE CCOC(=O)[C@H]1CCCN(/N=N/c2cc([N+](=O)[O-])ccc2C)C1 1860483611 ATILWDYILHUOMM-ZFHSLQLHSA-N 320.349 3.177 10 10 DGCE C[C@@H](CCO)N(Cc1ccccc1)c1c(F)cc(CO)cc1F 1915082457 JFUHNMPLUONTNU-ZDUSSCGKSA-N 321.367 3.235 10 10 DGCE NCc1ccc(N(Cc2ccccc2)C2(CO)CCC2)cc1F 1915759785 GSCWDVLQOFFCOH-UHFFFAOYSA-N 314.404 3.206 10 10 DGCE CC(C)[C@@H]1C[C@@](N)(c2ccccc2O)CN1Cc1ccccc1 1920152325 HJOAWBIAQJSUJQ-ICSRJNTNSA-N 310.441 3.477 10 10 DGCE C[C@H](Nc1c(N)cccc1Br)[C@@H]1C[C@@H]2CCO[C@H]12 1926224108 RIXBRUGXUBWMBN-QSDJMHMYSA-N 311.223 3.257 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN(C[C@H]1CCCN1)C1CC1 236590674 UMMHDAAQSDEOAC-GFCCVEGCSA-N 315.244 3.415 10 10 DGCE Cc1ccc(CNCCC[C@H](C)NC(=O)OC(C)(C)C)c(O)c1 1971941453 RBEMBWWFPGOSAO-AWEZNQCLSA-N 322.449 3.484 10 10 DGCE CC[C@@H](O)CN(Cc1ccccc1)c1ccc2c(c1)CC[C@H]2O 1986602329 FGAXQMHYJNPHJZ-UYAOXDASSA-N 311.425 3.444 10 10 DGCE Oc1cc(Br)ccc1CNC[C@@H]1CCCOCC1 2028648043 YPHBWMSCJCMDBT-LLVKDONJSA-N 314.223 3.061 10 10 DGCE CC1=C(Br)CN(c2ccc([C@@H](C)N)c(O)c2)CC1 2034762780 AUJNWGKEKCBWEH-SNVBAGLBSA-N 311.223 3.291 10 10 DGCE Oc1ccc(Br)cc1CN[C@@H]1C[C@H]2C[C@H]1C[C@H]2F 2039899971 OEOIORCNWSNDNA-OTMMVIPVSA-N 314.198 3.381 10 10 DGCE C[C@H](c1ccc(O)cc1O)N(CCCN)Cc1ccccc1 309800683 ULJLVENXWIKHSH-CQSZACIVSA-N 300.402 3.010 10 10 DGCE CCOC(=O)c1cnc(Sc2cccc([N+](=O)[O-])c2)s1 313479165 HYFUWHTWAPYGRN-UHFFFAOYSA-N 310.356 3.379 10 10 DGCE C[C@@H]1O[C@H](C)C[C@@H]1CN(C)c1cc(Cl)c(CN)cc1F 2177382018 UUILVDIHQBSTGW-JFGNBEQYSA-N 300.805 3.188 10 10 DGCE CCS[C@H]1CCN(c2ccc(CN)cc2C(F)(F)F)C1 382965236 SDUCNPOWEUSFTJ-NSHDSACASA-N 304.381 3.496 10 10 DGCE c1cc(N2CCCC2)ccc1CN[C@H]1CCCC2(C1)OCCO2 715667233 LKWJVKDXLYEJAV-KRWDZBQOSA-N 316.445 3.062 10 10 DGCE Oc1c(F)cc(Br)cc1CN1C[C@H]2CC[C@H]1C2 715702732 NHNOWPSBTZATIO-KWQFWETISA-N 300.171 3.278 10 10 DGCE COc1cccc(O)c1[C@H](C)n1nc(CC(C)C)cc1C=O 2070040817 PPVXWBCFJUSIRJ-LBPRGKRZSA-N 302.374 3.218 10 10 DGCE Nc1cc(C2CCC2)nn1Cc1ccc(Br)cc1O 2070155314 KHFQXIOTGZLQFM-UHFFFAOYSA-N 322.206 3.249 10 10 DGCE Oc1cccc2c1[C@H](N[C@H]1CS[C@H](C(F)(F)F)C1)CC2 2189224801 VCKXLEKFDHVDTQ-FOGDFJRCSA-N 303.349 3.406 10 10 DGCE CCN[C@@H](c1ccc2c(c1)CCN2C)C(F)(F)Br 2045808097 RLXHNXHPQFSBGR-LBPRGKRZSA-N 319.193 3.317 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@H](F)C[C@@H](F)C2)c(Br)c1 2062397882 XYKBFMPIHOTFET-FBIMIBRVSA-N 319.193 3.355 10 10 DGCE NCc1ccc(N2CCC[C@H]2C(F)(F)F)c(Br)c1 2083833507 AKLXYECTWVEUSZ-NSHDSACASA-N 323.156 3.439 10 10 DGCE C[C@H](N)c1ccc(N(C)C[C@@]2(C)CSCCO2)c(Cl)c1 2201256741 KUKSYNVQRFAECM-NHYWBVRUSA-N 314.882 3.318 10 10 DGCE COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)C1=Cc1ccco1 2294028360 CLHJSIOPZQWFME-UHFFFAOYSA-N 323.348 3.152 10 10 DGCE CC(C)(C)c1ccc(C=C2SC(=S)N(CO)C2=O)cc1 2297617055 PROLFXVRRRANCB-UHFFFAOYSA-N 307.440 3.135 10 10 DGCE O=C(O)Cc1nc2c(O)cccn2c1N=Nc1cccc(F)c1 2318379888 DSMCECIHDSYGFC-UHFFFAOYSA-N 314.276 3.222 10 10 DGCE Cc1ccc(CN2C[C@@H](C)[C@@H](F)C2)c(O)c1Br 2307456541 BUCAWBKSULJNMC-KOLCDFICSA-N 302.187 3.253 10 10 DGCE CCc1ccccc1N=NN1CCN(C(=O)c2ccco2)CC1 2330152980 IDTMZPCCFUMQMM-UHFFFAOYSA-N 312.373 3.299 10 10 DGCE Cc1ccc(CN2C[C@H](C)[C@H](C)C2=O)c(O)c1Br 2327609357 ZFHADDSQEKOTJR-UWVGGRQHSA-N 312.207 3.078 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@H]1[C@@H]2CCCO[C@@H]21 2330707051 YYUAXQJIBBGPBK-MJVIPROJSA-N 302.201 3.214 10 10 DGCE CCN(Cc1cc(Br)cc(C)c1O)[C@H]1CCOC1 311171304 SWVVEANKMFBYNO-ZDUSSCGKSA-N 314.223 3.074 10 10 DGCE COC(=O)/C=C/c1ccc(N2CCCC[C@@H]2C)c([N+](=O)[O-])c1 105777705 VDYUCUIHWOHVHE-CRALRDPISA-N 304.346 3.160 10 10 DGCE CC[C@H](C)[C@H](C)NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 170998505 IKXOIMXYPWJIPK-MOVUHUBBSA-N 316.445 3.087 10 10 DGCE CCN(c1ccc([C@H](C)N)c(Br)c1)[C@H]1CCOC1 310885488 OMNPMOMCDWVSGN-JQWIXIFHSA-N 313.239 3.084 10 10 DGCE C[C@H](N[C@H]1CCN(CC2CCCC2)C1)c1ccc(F)cc1O 185594951 ANWBMKWCHZKJNL-BBRMVZONSA-N 306.425 3.446 10 10 DGCE Nc1ccc(NC(=O)c2c(F)cccc2Br)cc1 122323588 IWEGFAKUAJDQEC-UHFFFAOYSA-N 309.138 3.423 10 10 DGCE C[C@H](NC[C@]1(C)CCCS1)c1ccc(N2CCOCC2)cc1 120386586 SEQZMVBVCFQXBN-YJBOKZPZSA-N 320.502 3.460 10 10 DGCE CCOC[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(C)C 189363527 RSQAADLILMTNMJ-LPHOPBHVSA-N 320.477 3.235 10 10 DGCE CC[C@@]1(C)CN(c2cc(Cl)c(OC)cc2OC)[C@@H](C)CN1 225651360 WOXPIQXGIGXQMF-ZBEGNZNMSA-N 312.841 3.324 10 10 DGCE Oc1c(CNCc2ncc(C(F)F)s2)ccc(F)c1F 2369608143 IZRWUPDJKDOMNA-UHFFFAOYSA-N 306.284 3.354 10 10 DGCE CN(Cc1ccccc1O)C(=O)/C=C/c1nc2ccccc2o1 136950780 CACVCARNDPXTCD-ZHACJKMWSA-N 308.337 3.205 10 10 DGCE CC(C)N(CCN[C@H](C)c1ccc(F)c(F)c1O)C(C)C 191185054 FRKALHVWESZKHS-GFCCVEGCSA-N 300.393 3.440 10 10 DGCE c1ccc(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)nc1 91676242 WMYHHVBBBVTTGW-UHFFFAOYSA-N 322.456 3.226 10 10 DGCE Cc1cnc(CNC(=S)Nc2ccc(C)cc2O)c(C)c1 243049236 IDXNEDMQDROZES-UHFFFAOYSA-N 301.415 3.199 10 10 DGCE Cc1cnc(CNC(=S)Nc2c(F)cccc2F)c(C)c1 244473699 ZHYPYHRLLZVSMD-UHFFFAOYSA-N 307.369 3.463 10 10 DGCE Cc1ccc(-n2c(C)cc(/C=C\C(=O)N3CC[C@@H](O)C3)c2C)cc1 255362891 WBCNRIDYVAOBSE-WMHRWZGDSA-N 324.424 3.009 10 10 DGCE NCc1ccc(N(CC(F)F)CC(F)(F)F)c(Cl)c1 720071804 AZMNXLDGXDAWBL-UHFFFAOYSA-N 302.674 3.433 10 10 DGCE CC[C@@H](C)[C@@H]1OC(=O)N[C@@H]1c1cc(OC(F)(F)F)ccc1O 575258310 VLJLAEWTNWKKPF-HFKOZYHYSA-N 319.279 3.486 10 10 DGCE Cc1nn(C)cc1NC(=O)Cc1cc(C)n(-c2ccccc2)c1C 828530251 HKUJOGLXYMPOBJ-UHFFFAOYSA-N 322.412 3.317 10 10 DGCE COc1cc(Cl)cc(CN2CCC[C@]3(CCOC3)C2)c1O 825133511 IEPVKHHQHLYBPM-INIZCTEOSA-N 311.809 3.057 10 10 DGCE NCc1ccc2c(c1)CCCN2C[C@H]1CC[C@H](C(F)(F)F)O1 903423531 WAKQIVJRRIGZSI-UKRRQHHQSA-N 314.351 3.008 10 10 DGCE CN(C)c1ccc(CNC(=O)N2CCC(F)(C3CC3)CC2)cc1 913926980 RJMUBWFMTFUQJW-UHFFFAOYSA-N 319.424 3.176 10 10 DGCE Cc1cc(O)c(CN2CCC[C@@H]([C@@H]3CCCN3)C2)c(Cl)c1 843045987 SACSSDKKCSADLR-CJNGLKHVSA-N 308.853 3.318 10 10 DGCE CCN1C(=O)/C(=C\c2c[nH]c(-c3ccccc3)n2)SC1=S 742429647 UODPURUKKZPAOY-XYOKQWHBSA-N 315.423 3.298 10 10 DGCE COc1cnccc1[C@@H](C)N[C@@H](C)c1cccc(OC)c1O 846164102 MQAOFTAQKAMFFG-NEPJUHHUSA-N 302.374 3.216 10 10 DGCE CC(C)(Cc1ccccc1)C(=O)NCc1c(O)cccc1F 928706270 UEUYQDOSFOLBMM-UHFFFAOYSA-N 301.361 3.416 10 10 DGCE Cc1noc(C)c1CCCNCc1ccc2c(c1)CCCO2 921827580 OCUUGAHQYAESOU-UHFFFAOYSA-N 300.402 3.339 10 10 DGCE C[C@@H]1C[C@@H](NC[C@]23CCC[C@H]2NCC3)c2c(O)ccc(F)c21 925846006 MXUXDABOVUUCQB-VBVJRUAFSA-N 304.409 3.201 10 10 DGCE CC(C)(C)c1nnc(NC(=O)N2Cc3cccc(O)c3C2)s1 929887883 WZQWCPPIOJKJRI-UHFFFAOYSA-N 318.402 3.089 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@H](C)c3cccc(O)c3)C2)cc1 850488925 POUKXFWLKAFXAW-GDBMZVCRSA-N 312.413 3.330 10 10 DGCE CN(C[C@H]1CCc2ccccc21)C(=O)/C=C/c1ccc(O)c(O)c1 856305104 LYIOFAALTGBUAG-AYAUWGRQSA-N 323.392 3.299 10 10 DGCE CN(C)c1ccc(CN[C@H]2CCN(C)[C@H]2c2ccccc2)cc1 758602587 MSZIOPLQRVVVFR-PMACEKPBSA-N 309.457 3.288 10 10 DGCE COc1ccc(N2CC[C@H](NCc3cc4cnccc4o3)C2)cc1 850347343 QNVOBZICXXPXIG-HNNXBMFYSA-N 323.396 3.205 10 10 DGCE COC1CCN(c2ccc(CN3CC[C@H]3C(F)F)cc2)CC1 931425031 DIMGGCOCJUMUOZ-INIZCTEOSA-N 310.388 3.141 10 10 DGCE CC(C)n1cc([C@@H](C)NC(=O)N[C@@H](C)c2ccccc2O)cn1 868244017 QJFVMNZDFQICFU-OLZOCXBDSA-N 316.405 3.291 10 10 DGCE CC(C)(COCc1ccccc1)NCc1ccc(O)cc1O 390015330 SIIKMEJXPUZWEB-UHFFFAOYSA-N 301.386 3.183 10 10 DGCE Cc1cc([C@@H]2CN(C(=O)c3cc(O)cs3)CCO2)ccc1F 765420529 HETDLESXPXOVNU-AWEZNQCLSA-N 321.373 3.115 10 10 DGCE c1cc(N2CCOCC2)ccc1CN[C@@H]1CCCC2(CC2)C1 883175590 KIYGHKBLXWBTLA-QGZVFWFLSA-N 300.446 3.336 10 10 DGCE CCOC(=O)CC1(NCc2cccc(OCC)c2O)CCCC1 789777670 AGFGCSILXYEYJM-UHFFFAOYSA-N 321.417 3.147 10 10 DGCE Cc1cc(O)c(CN2CCO[C@]3(CCCOC3)C2)cc1C(C)C 795636681 JNLUIXHAHIRMRE-LJQANCHMSA-N 319.445 3.205 10 10 DGCE COc1cc(Cl)cc(CN2CCCCC[C@H]2CCO)c1O 793608057 HMZPOQSOIRYUNT-AWEZNQCLSA-N 313.825 3.181 10 10 DGCE Cc1cccc(N)c1N[C@@H](CNC(=O)OC(C)(C)C)C1CC1 1959374413 VGYHSEXNLWQUNP-AWEZNQCLSA-N 305.422 3.292 10 10 DGCE CC(C)(C)OC(=O)NC[C@]1(C)CCN(c2ccc(N)cc2)C1 1959570070 VQHGXMKSLANPDK-KRWDZBQOSA-N 305.422 3.010 10 10 DGCE CN(C)CCOc1ccc(N(C)CC(Cl)=CCl)cc1 1884044599 HGTCJVTYQLUJDB-UHFFFAOYSA-N 303.233 3.382 10 10 DGCE c1ccc(COc2ccc(N3CCC[C@H]4CNC[C@H]43)cc2)cc1 1899864998 JCCLZMBFHWJDGW-FXAWDEMLSA-N 308.425 3.454 10 10 DGCE CN(CCc1cccc2c1OC(F)(F)O2)Cc1ccccc1O 1167733678 AZOQIKGZWZGYRU-UHFFFAOYSA-N 321.323 3.388 10 10 DGCE CC1(C)COCC[C@H]1NCc1ccc(Br)cc1O 1962972157 MZJYJPKJOVVQEA-CYBMUJFWSA-N 314.223 3.059 10 10 DGCE Cc1ccccc1-n1c(C)cc(C(=O)N2CC[C@]23CCOC3)c1C 1331572360 ULNBPNPMEOMJBY-HXUWFJFHSA-N 324.424 3.408 10 10 DGCE CCCC(=O)N[C@@H]1CCC[C@H]1CNCc1ccc(OC)c(C)c1 1268266661 BRYCYXOHJUDXBK-DLBZAZTESA-N 318.461 3.178 10 10 DGCE CCCC(=O)N[C@H]1CCC[C@@H]1CNCc1ccc(OC)c(C)c1 1268266668 BRYCYXOHJUDXBK-SJORKVTESA-N 318.461 3.178 10 10 DGCE CCCCC(=O)N[C@@H](C)[C@H](C)NCc1ccc(OC)c(C)c1 1505561325 KMZRAPPGTMGDSX-GJZGRUSLSA-N 306.450 3.177 10 10 DGCE Cc1cc(C)cc(CC(=O)N2CCOc3cc(N(C)C)ccc32)c1 1530817893 JSTQUMCOXYNSDX-UHFFFAOYSA-N 324.424 3.338 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)cc1 1534246036 RCNDOYILPKZRDA-VIBAHUMZSA-N 300.446 3.441 10 10 DGCE COc1ncc(/C=C/C(=O)N2CC[C@@H](C)c3cccc(C)c32)cn1 1534104863 NSRRWJLMQUTYDI-SBDDDAINSA-N 323.396 3.347 10 10 DGCE COc1ccccc1OC(=O)c1sc2ncccc2c1N 1540546516 YYIYIQXJJNIOGX-UHFFFAOYSA-N 300.339 3.106 10 10 DGCE CCc1ccccc1C(=O)NCc1ccc2cccnc2c1O 1627073508 QHJAZARQSKCPFV-UHFFFAOYSA-N 306.365 3.433 10 10 DGCE Cc1nc(C)c(NC(=O)c2ccc(N=NC(N)=O)cc2)s1 1630697825 WHXHWVHGRAQCOM-UHFFFAOYSA-N 303.347 3.175 10 10 DGCE Cc1cccc(C2(NC(=O)Cc3ccc(O)c(O)c3)CCC2)c1 1639895069 XEYZTMFHPQHJPY-UHFFFAOYSA-N 311.381 3.144 10 10 DGCE CCN(C(=O)Cc1ccc(O)c(O)c1)c1ccc2[nH]ccc2c1 1638812700 ANFUXOAJPOLXAV-UHFFFAOYSA-N 310.353 3.175 10 10 DGCE O=C(CCCOc1ccccc1)NCc1c(O)cccc1F 1645045852 KFLWHNQOOVSMMA-UHFFFAOYSA-N 303.333 3.007 10 10 DGCE C[C@H](C(=O)NCc1cccc(O)c1O)c1ccc(Cl)cc1 1651175657 HVONHOPAXBLWGE-JTQLQIEISA-N 305.761 3.171 10 10 DGCE Cc1ccc(C=CC(=O)N2CC(N=[N+]=[N-])C2)c(Br)c1 1912163914 PKUUGPUXVUVOGW-UHFFFAOYSA-N 321.178 3.292 10 10 DGCE CC[C@@H](C)C(=O)NC[C@@H](NCc1ccc(OC)c(C)c1)C(C)C 1698960517 KMRPNKVFQXFTDO-RHSMWYFYSA-N 320.477 3.280 10 10 DGCE C[C@@H]1CCO[C@H]1CCNCc1c(O)cccc1Br 1918146982 VCARSAYGMFQHFS-YGRLFVJLSA-N 314.223 3.059 10 10 DGCE Nc1ccc(OCCOC(C(F)(F)F)C(F)(F)F)cc1 225996779 FJOSEBNUDYVQGI-UHFFFAOYSA-N 303.202 3.157 10 10 DGCE CC(C)(C)OC(=O)Nc1nc([C@H](N)c2ccccc2O)cs1 1928469284 GRLDLMJDCSLFAB-GFCCVEGCSA-N 321.402 3.244 10 10 DGCE Cc1cccc(CNCc2ccc(O)c(Br)c2)c1O 2139760443 SCYLMIAKDSKYAC-UHFFFAOYSA-N 322.202 3.459 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[C@H](N)c1ccccc1O 1936983731 RYYWYCQYSYPPKE-IOASZLSFSA-N 320.433 3.285 10 10 DGCE CN(C[C@H]1CC1(F)F)c1ccc(CO)cc1Br 1948055888 QZTQECFJTALYIR-SECBINFHSA-N 306.150 3.033 10 10 DGCE Cc1sc(Br)nc1CN1CC[C@@H](N=[N+]=[N-])C1 1981443550 DPWLQUBIGLCPSD-SSDOTTSWSA-N 302.201 3.099 10 10 DGCE CCN[C@H](c1ccccc1O)[C@H]1CC[C@@H]1NC(=O)OC(C)(C)C 1994870577 KFIFOAHNLMIUSJ-NOLJZWGESA-N 320.433 3.346 10 10 DGCE CN[C@@H](c1csc(Cl)c1)[C@@H](O)c1ccc(N(C)C)cc1 2154425332 ZDRRZDZOYVINGO-GJZGRUSLSA-N 310.850 3.462 10 10 DGCE N[C@H](c1ccccc1O)c1cc(F)c(F)cc1Br 2029558946 MVNFGCCWGMVVBV-CYBMUJFWSA-N 314.129 3.481 10 10 DGCE C[C@H](N)c1ccc(N2CCOCC[C@@H]2C)cc1Br 2031623653 DXUMZUCZCYEUAC-QWRGUYRKSA-N 313.239 3.084 10 10 DGCE C[C@@H]1NC[C@@H](C)N(Cc2cc(Cl)cc(Cl)c2O)[C@H]1C 401210520 MXEDUVLOWFTBQX-UTLUCORTSA-N 303.233 3.270 10 10 DGCE C[C@@H]1CN(Cc2ccccc2)CCN1CCCc1ccc(N)cc1 382753513 FDARIMVECQUIDU-GOSISDBHSA-N 323.484 3.408 10 10 DGCE CCC(CC)Cc1cc(O)n2nc(C3CC3)c(C(=O)OC)c2n1 2080923456 CUUJQWZPCNJIAW-UHFFFAOYSA-N 317.389 3.078 10 10 DGCE CNCc1cc(F)c(N2CCC(=CBr)C2)c(F)c1 2052265662 CRALWEPDMIIGHN-UHFFFAOYSA-N 317.177 3.173 10 10 DGCE CCO[C@H](CNCc1cc(Br)ccc1O)C1CC1 2068152821 WINMMDHWWOHPJN-CQSZACIVSA-N 314.223 3.059 10 10 DGCE CN(C)c1ccc([C@@H](O)c2cc(N)cc(Br)c2)cc1 2106790671 KMKLJTABPNFXQM-OAHLLOKOSA-N 321.218 3.179 10 10 DGCE CCn1nc(C)c(CNCc2cnc(SC)s2)c1Cl 2269279977 SKYWYJDLEUVGEV-UHFFFAOYSA-N 316.883 3.333 10 10 DGCE Cc1ccc(O)c([C@H](C)NCc2conc2Br)c1 2222852684 SFGJLSDCYFEHDM-VIFPVBQESA-N 311.179 3.302 10 10 DGCE NCc1ccc(N2C[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2)c(Br)c1 2224573826 AWRJXPQWBLTXOP-KPWCQOOUSA-N 319.246 3.166 10 10 DGCE Oc1cccc(Br)c1CN[C@H]1CCC[C@H]1CF 2251060633 LFGFGIFYTAKCBY-CABZTGNLSA-N 302.187 3.383 10 10 DGCE Cc1cc(O)c([C@H](C)N(C)C[C@@H]2OCC[C@H]2F)cc1Cl 2286438699 JEGBOMGRXUZDRE-ZBINZKHDSA-N 301.789 3.474 10 10 DGCE Cc1cc(O)c([C@H](C)N(C)[C@@H](C)C[S@](C)=O)cc1Cl 2270973190 IOMWOPNKNRWSMF-ADWYPQAOSA-N 303.855 3.114 10 10 DGCE CC(=O)N(C(=O)NC=Cc1ccc(C)cc1)c1ccc(N)cc1 2325905952 NOGHLDINLOTPPL-UHFFFAOYSA-N 309.369 3.311 10 10 DGCE Nc1ccc(NC(=O)Nc2cc(O)ccc2Br)cc1 2344277163 BPCLULQNXHGWSF-UHFFFAOYSA-N 322.162 3.381 10 10 DGCE Nc1ccc(O)c(CNC(=O)c2ccc(Cl)cc2Cl)c1 37504181 BSCWOVZNRBYVJO-UHFFFAOYSA-N 311.168 3.211 10 10 DGCE Cc1cc(C(=O)N(C)C[C@H]2CCCO2)c(C)n1-c1ccccc1 58965068 IWMOHMBVSCWHAH-QGZVFWFLSA-N 312.413 3.345 10 10 DGCE CCN1C(=O)/C(=C\c2ccc(OC)c(C)c2OC)SC1=S 59266358 BERJEOSVOLMFLT-XYOKQWHBSA-N 323.439 3.233 10 10 DGCE CCOc1ccc(N2CC[C@H](CNCc3cccnc3)C2)cc1 76364906 IVTVDPFYBJYSTJ-QGZVFWFLSA-N 311.429 3.096 10 10 DGCE O=[N+]([O-])c1ccc(O)c(CN2CCCC[C@@H]2c2nccs2)c1 170914418 LSRJUOLNUBTXDA-CYBMUJFWSA-N 319.386 3.484 10 10 DGCE Cc1scc(C(=O)N2CCOc3cc(N(C)C)ccc32)c1C 180308444 ZQJYSBWAVNHNKO-UHFFFAOYSA-N 316.426 3.470 10 10 DGCE CCc1nc2n(n1)CCC[C@H]2N[C@H](C)c1ccc(C)cc1O 185683137 JJXUDPUNCLIKDT-TZMCWYRMSA-N 300.406 3.040 10 10 DGCE O=C(N[C@H](c1ccccc1)c1ccco1)c1cccc(O)c1O 186798167 NINYQDIDKFPIDN-MRXNPFEDSA-N 309.321 3.210 10 10 DGCE CCOC(=O)[C@H](C)[C@H](C)NCc1c(O)ccc2ccccc12 190956404 YZFHRZHCSZRMLO-OLZOCXBDSA-N 301.386 3.223 10 10 DGCE CC[C@@H](C)N(CCOC)c1ccc(CN)c(Br)c1 228150411 JTUIKZGBVHWFPJ-LLVKDONJSA-N 315.255 3.159 10 10 DGCE CC[C@H](C)NC(=O)CN(c1ccc(OC)cc1)[C@H](C)C1CC1 247675605 QYGFYRUEDSGUDW-UONOGXRCSA-N 304.434 3.215 10 10 DGCE CCOc1cc(/C=C\C(=O)Nc2ccc(N)cc2)ccc1OC 255119912 PNACVMFJYSHDAW-WZUFQYTHSA-N 312.369 3.328 10 10 DGCE CN(CCCCO)Cc1ccc(OCc2ccccc2)cc1O 276673826 PIVCSUKHGSXUBE-UHFFFAOYSA-N 315.413 3.176 10 10 DGCE Cc1ccc([C@H](C)NC2[C@@H]3CN(Cc4ccccc4)C[C@@H]23)c(O)c1 398347415 XVWSTDGYVPZFAP-KFKAGJAMSA-N 322.452 3.482 10 10 DGCE Cc1cc(C)c([C@@H](C)NCC(C)(C)C(=O)N2CCCC2)c(O)c1 528015836 OCTQFHZWIZNQKG-OAHLLOKOSA-N 318.461 3.308 10 10 DGCE CC[C@H]1CN(c2ccc(OC(F)(F)F)cc2Cl)CCN1 699651960 KTFFMXJEGZKIMZ-VIFPVBQESA-N 308.731 3.427 10 10 DGCE Cc1cc(N2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)ccc1CO 705943482 ZNEKSOBUWITXDS-PMACEKPBSA-N 322.452 3.056 10 10 DGCE CC(C)OC(=O)N1CCC(N[C@H](C)c2ccccc2O)CC1 783520681 CTBNYFMUVCRUOM-CYBMUJFWSA-N 306.406 3.052 10 10 DGCE CCCN(CCC)c1ccc(CN2CC[C@@](C)(C(N)=O)C2)cc1 793388691 FFTTUTFCRKVXLX-LJQANCHMSA-N 317.477 3.010 10 10 DGCE CC[C@@H](NC[C@@H]1COc2ccccc2O1)c1ccc(F)cc1O 796665700 KONHLIJPNJECLI-UKRRQHHQSA-N 317.360 3.412 10 10 DGCE Clc1cc(OCCC2OCCO2)ccc1N1CCCCC1 817381076 CKZDFAJIZPIBCT-UHFFFAOYSA-N 311.809 3.472 10 10 DGCE Cc1cc(F)ccc1[C@@H](O)CNCc1ccc(N(C)C)c(F)c1 818984572 CNBFWCIOIYTSOH-SFHVURJKSA-N 320.383 3.162 10 10 DGCE CN(C)c1ccc(/C=C/CNCc2ccc(CO)c(F)c2)cc1 835036063 JHRIEXIYSRLXLH-ONEGZZNKSA-N 314.404 3.187 10 10 DGCE Cc1cc(O)c(CN[C@@H](CO)Cc2ccccc2)c(Cl)c1 840936718 DEIJVHLFBOJDAU-CQSZACIVSA-N 305.805 3.047 10 10 DGCE C[C@@H](N[C@@H]1CCO[C@@H](c2cccnc2)C1)c1ccc(F)cc1O 842918693 VLHVFTIXRJVFOU-CDHAZOANSA-N 316.376 3.497 10 10 DGCE COC(=O)CC1(NCc2ccc(N3CCCCC3)c(C)c2)CC1 844387943 YGHOMLIOURLSHZ-UHFFFAOYSA-N 316.445 3.171 10 10 DGCE CCOc1ccc(O)c(CN[C@@H](C2CC2)[C@@H]2CCCCO2)c1 848560851 RMRSKXWFGCPHAX-ROUUACIJSA-N 305.418 3.228 10 10 DGCE COc1cc(CN[C@H]2CCOC[C@@H]2C)c(O)c(C(C)(C)C)c1 850279271 WUKLVYYTYQXPGH-LRDDRELGSA-N 307.434 3.213 10 10 DGCE COc1cccc(CN[C@@H](c2ccccc2)[C@H](O)C(C)C)c1O 850395781 YSLMYPRHNKKIAC-ZWKOTPCHSA-N 315.413 3.249 10 10 DGCE COC(=O)/C=C/c1ccc(N2C[C@H]3CC[C@@H](C3)C2)c([N+](=O)[O-])c1 853962942 UOPUQQLGBPPDMC-MPCGPATOSA-N 316.357 3.017 10 10 DGCE O=C(NCc1ccccc1O)NCC1(C(F)(F)F)CCCC1 858935451 SIZUQLJDEKQWEB-UHFFFAOYSA-N 316.323 3.314 10 10 DGCE COc1ccc2c(c1)CC[C@@H]2C(=O)N(C)Cc1ccccc1O 860048380 UJIQVOGZHPDUNK-KRWDZBQOSA-N 311.381 3.089 10 10 DGCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCC[C@@H](C)F)c1 861835113 OQLYOLLAKUGZRB-GFCCVEGCSA-N 316.376 3.385 10 10 DGCE Oc1c(F)cc(F)cc1CN[C@@H]1c2ccccc2OC[C@H]1F 922520847 FTHCCNVIDWBIQF-UKRRQHHQSA-N 309.287 3.232 10 10 DGCE COc1ccc2c(c1)CCCCN2C[C@H](O)Cc1ccccc1 1168243036 AMFFTAGDCNTIDL-GOSISDBHSA-N 311.425 3.442 10 10 DGCE COc1ccc(N(C)CCN(C)C[C@@H]2C[C@H]3CC[C@H]2C3)cc1 1195789976 OWVUSONAVOCOIC-ULQDDVLXSA-N 302.462 3.499 10 10 DGCE CCOCc1cc(CN[C@H](C(=O)O)C(C)(C)CC)ccc1OC 1261491349 RVQRIMRJWNEFNH-MRXNPFEDSA-N 323.433 3.211 10 10 DGCE CCOc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1Cl 1291673512 CRVVDRHUDJNZLX-UHFFFAOYSA-N 321.760 3.331 10 10 DGCE Cc1c(Cl)ccc2c1N(C(=O)/C=C\c1cn(C)cn1)CCC2 1360832076 MKKGJILXYQQSLS-VURMDHGXSA-N 315.804 3.375 10 10 DGCE CCN(C(=O)Cc1ccc(O)c(O)c1)[C@@H](C)Cc1ccsc1 1448124451 QHZCHIBUSMLCTA-LBPRGKRZSA-N 319.426 3.182 10 10 DGCE C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)Cc1ccc(O)c(O)c1 1465120262 ROHCAQUMTIYLEZ-CJNGLKHVSA-N 311.381 3.045 10 10 DGCE C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)c1ccccc1O 1471194608 MCJDMFZQZJNXSE-VIFPVBQESA-N 320.732 3.445 10 10 DGCE O=C(CC(F)(F)C(F)F)NCc1c(O)ccc2ccccc12 1472085305 PKQMHCUORMBQGQ-UHFFFAOYSA-N 315.266 3.452 10 10 DGCE Cc1cc(CN2CCOCC(F)(F)C2)ccc1N1CCCCC1 1473526455 GHEKMGIVCHNZDY-UHFFFAOYSA-N 324.415 3.453 10 10 DGCE CN(C)c1ccc(CNC(=O)C[C@@H]2CCC(C)(C)CO2)cc1F 1535620123 VZUPOUKARXNOQL-AWEZNQCLSA-N 322.424 3.103 10 10 DGCE CC[C@@H](O)CN(Cc1ccccc1)c1ccc(OC)c(OC)c1 1655148761 RAWLGBYUHGZWFQ-QGZVFWFLSA-N 315.413 3.481 10 10 DGCE Cc1ccc(O)c(CNCCC(=O)Nc2ccc(C)c(C)c2)c1 1857853189 MDDWRCMRBKXMSN-UHFFFAOYSA-N 312.413 3.436 10 10 DGCE O=C1/C(=C\c2ccco2)C(C(F)(F)F)=NN1c1ccccn1 1865671472 CXTFVAYZBUNANH-NTMALXAHSA-N 307.231 3.023 10 10 DGCE c1ccc(COc2ccc(N3C[C@H]4CCNC[C@H]4C3)cc2)cc1 1899883708 PIZWLXXQRSSQBC-MSOLQXFVSA-N 308.425 3.311 10 10 DGCE Oc1cccc(Br)c1CN1[C@H]2CC[C@@H]1[C@H]1CC[C@@H]2O1 1900464976 LHMUOFRGMLNGIW-CUFDPUGPSA-N 324.218 3.049 10 10 DGCE CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NC)c1ccccc1O 1928471105 IFHIHRDQBIWLLY-DZGCQCFKSA-N 308.422 3.346 10 10 DGCE Oc1ccc(F)cc1CN[C@H]1CC[C@H]1OCc1ccccc1 1934899959 DGXRESPDJGHQTP-FUHWJXTLSA-N 301.361 3.369 10 10 DGCE C[C@@H]1C[C@H]([C@@H](N)c2ccccc2O)CN(C(=O)OC(C)(C)C)C1 1936969154 XIQAOXHLTNMGSK-DVOMOZLQSA-N 320.433 3.285 10 10 DGCE CN[C@H](CN(CC1CC1)C(=O)OC(C)(C)C)c1ccccc1O 1936971019 RFUKEXDFYLZUEE-OAHLLOKOSA-N 320.433 3.300 10 10 DGCE CCN(CC)c1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)O)cc1 1951392183 XYABMCXTFUHKSK-CQSZACIVSA-N 322.405 3.183 10 10 DGCE C[C@@H](CN(C)Cc1ccccc1)NCc1c(O)cccc1F 1958792403 CXAXXUXGPWEGAN-AWEZNQCLSA-N 302.393 3.141 10 10 DGCE COc1ccc(CNCC2CCC3(CC2)OCCO3)cc1C 1963438384 HTJFBBMEKNMBJM-UHFFFAOYSA-N 305.418 3.027 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@H]1CN2CCC1CC2 1963624562 MNRBEOWBUQDLKO-LBPRGKRZSA-N 315.244 3.130 10 10 DGCE Oc1cc(F)ccc1CNCc1cnn(Cc2ccccc2)c1 1964544289 CCONKVUSVJICAX-UHFFFAOYSA-N 311.360 3.066 10 10 DGCE CC1(C)CCN(Cc2cc(Br)ccc2O)CCO1 1967845815 NOTYPZFUPDKZFL-UHFFFAOYSA-N 314.223 3.156 10 10 DGCE Cc1cccc(O)c1CNC1CC(C)(NC(=O)OC(C)(C)C)C1 1967864008 XDWFUUGNGYQKHQ-UHFFFAOYSA-N 320.433 3.236 10 10 DGCE C[C@@H](CO)N(Cc1ccccc1)c1cc(Cl)c(CN)cc1F 1974801495 SNDRUPWKHNSPBH-LBPRGKRZSA-N 322.811 3.325 10 10 DGCE OCCCN(Cc1ccccc1)c1ccc2c(c1)CCC[C@@H]2O 1986600777 PDWUFOTVMRGQDT-FQEVSTJZSA-N 311.425 3.445 10 10 DGCE C[C@H](N)c1ccc(N2CC3CC(F)(C3)C2)cc1Br 2045324798 ZCAAFOAHVUDBFE-IPWFMCSPSA-N 313.214 3.407 10 10 DGCE CN1CC[C@H](Nc2c(N)cccc2Br)CC12CC2 2048578301 TZJCITDYWFQARX-JTQLQIEISA-N 310.239 3.070 10 10 DGCE CC[C@@H](NCc1ncco1)c1cc(Br)ccc1O 2066302166 NMRJJPLNDKCGSQ-LLVKDONJSA-N 311.179 3.384 10 10 DGCE CN(C)Cc1cc(C2CC2)nn1Cc1ccc(Cl)cc1O 2070156076 WYILHQDTLQSBDT-UHFFFAOYSA-N 305.809 3.229 10 10 DGCE COc1cccc(O)c1[C@@H](C)n1nc(C)cc1Br 2070157062 NNINMASHUUXMQO-SECBINFHSA-N 311.179 3.278 10 10 DGCE CCOC(=O)c1cnn([C@H](C)c2ccc(F)cc2O)c1Cl 2070386185 JNUWMIQROYJNNA-MRVPVSSYSA-N 312.728 3.167 10 10 DGCE Cc1cnc(Br)c(CN2CCC[C@H](N=[N+]=[N-])C2)c1 2085939035 QYNMVLGUAFHPGE-NSHDSACASA-N 310.199 3.427 10 10 DGCE CN1CCc2cc([C@H](N)[C@H](O)c3ccsc3Cl)ccc21 2163136402 SJUPOAPKIDPIDV-UONOGXRCSA-N 308.834 3.127 10 10 DGCE C[C@@H](N)c1ccc(N(CCO)Cc2ccsc2)cc1Cl 2171095929 UIEWTSKRMGWXFO-LLVKDONJSA-N 310.850 3.420 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NC(=O)c1cc(Br)cs1 2213593986 ZTEWNRQPXQCAPP-JGVFFNPUSA-N 315.196 3.472 10 10 DGCE CNc1ccc([N+](=O)[O-])c(NCc2cnc(SC)s2)c1 2284716313 YYEYBUZUXMBQFW-UHFFFAOYSA-N 310.404 3.427 10 10 DGCE C[C@H](O)c1ccc(N2CCO[C@H](P(C)(C)=O)C2)c(Cl)c1 2289324299 WPTYZJRNPCSSQE-IINYFYTJSA-N 317.753 3.179 10 10 DGCE CC(C)(C)C=CC(=O)NCc1ccc(N2CCSCC2)cc1 2297517579 FRYLLOKXUSHXNN-UHFFFAOYSA-N 318.486 3.458 10 10 DGCE COc1ccc(NC(=O)C=Cc2ccc(O)c(O)c2)c(Cl)c1 2307986894 LSUPRHIEMYQCKI-UHFFFAOYSA-N 319.744 3.412 10 10 DGCE CCCN(CCCO)Cc1ccc(C)c(Br)c1O 2327628457 HETGMYZEJVPLRI-UHFFFAOYSA-N 316.239 3.058 10 10 DGCE Cc1ccc(CN[C@H]2C[C@@]23CC3(F)F)c(O)c1Br 2327792407 JMJYZGVIVBVFDI-JOYOIKCWSA-N 318.161 3.350 10 10 DGCE CCN[C@H]1c2cc(F)ccc2OC[C@H]1Sc1nccs1 2363995675 DCTLBCGIILVTQD-OLZOCXBDSA-N 310.419 3.486 10 10 DGCE CCCCN(CC(F)(F)F)C(=O)CCc1ccc(N)cc1 40326156 ZQXLIGHMRBVNRA-UHFFFAOYSA-N 302.340 3.392 10 10 DGCE CC(C)[C@@H]1CN[C@H](C)CN1c1ccc(OC(F)(F)F)cc1 86151596 IVDULQAAQOQDHK-RISCZKNCSA-N 302.340 3.408 10 10 DGCE CC[C@@H](c1cc(Br)ccc1O)N(C)[C@@H](C)C(=O)O 86756284 WCJANJAFQYZSCF-KWQFWETISA-N 316.195 3.011 10 10 DGCE CCOC(=O)NCCOc1ccc(Oc2ccc(N)cc2)cc1 90471351 CLMVOJGTXNMJHB-UHFFFAOYSA-N 316.357 3.186 10 10 DGCE COc1cccc(CN(C)Cc2nc3c(s2)CCCC3)c1O 93336079 HLFRHTIPQRRROT-UHFFFAOYSA-N 318.442 3.368 10 10 DGCE COc1ccc(CN2CCO[C@@H](c3ccsc3)C2)c(O)c1 93768654 NOGJLZWLCVONAQ-MRXNPFEDSA-N 305.399 3.036 10 10 DGCE CCN1C(=O)/C(=C2/C=CC(C(F)(F)F)=CN2C)SC1=S 105916281 JNJUIMKBRQWNEB-CMDGGOBGSA-N 320.361 3.026 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)/C=C/c2ccc(F)cc2)c1 157859986 ODWTWCFUVBSXRV-SBKJXLNCSA-N 315.344 3.431 10 10 DGCE CSC[C@@H](C)N(C)c1ccc(CN)cc1Br 167302881 IBRWMSAZQQRUDI-SECBINFHSA-N 303.269 3.096 10 10 DGCE CCCCOC[C@@H](O)CSc1ncc(-c2ccccc2)n1C 193361527 ZRLKDDAHJQKCBU-OAHLLOKOSA-N 320.458 3.357 10 10 DGCE Nc1ccc(Nc2cc(Br)c(F)cc2F)nc1 228161425 IRKSWMMOJXXJBV-UHFFFAOYSA-N 300.106 3.448 10 10 DGCE CC[S@](=O)[C@@H]1CCC[C@H](N[C@H](C)c2cc(F)ccc2O)C1 248491829 IWIUOZRMGAAOGR-VZIIKCOPSA-N 313.438 3.262 10 10 DGCE CCN[C@H](C)c1ccc(N2C[C@@H]3CC[C@H](O)[C@H]3C2)c(Cl)c1 252850759 FJYKIZKJMFPZQF-YSLLHCQFSA-N 308.853 3.218 10 10 DGCE CC(=O)c1cc(Cl)cc(CN(C)Cc2cncs2)c1O 400184954 WIZDPFSBVWICAQ-UHFFFAOYSA-N 310.806 3.337 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1 705942974 WJPHCLAWCMNOAI-AHRSYUTCSA-N 322.452 3.308 10 10 DGCE Oc1c(Br)cc(Cl)cc1CN1CC[C@H](F)C1 708214453 ABTXODHAYXCJRN-VIFPVBQESA-N 308.578 3.352 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@H]3[C@H](C2)C3(F)F)c(Br)c1 715526253 UITKAPCMJJUGDO-JEZHCXPESA-N 318.161 3.204 10 10 DGCE C[C@H](CNCc1cccc(Br)c1O)[C@@H]1CCCO1 720520237 BQPGTVMORFJWGC-MFKMUULPSA-N 314.223 3.059 10 10 DGCE CCOc1ccc(CN2CCO[C@H](c3cccs3)C2)c(O)c1 769146519 IIRIGYFPKQBCNO-INIZCTEOSA-N 319.426 3.426 10 10 DGCE COCc1ccsc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 773007380 HZJHRXVZTDRRHO-GFCCVEGCSA-N 318.442 3.452 10 10 DGCE CCN(C(=O)/C=C\c1cncc(O)c1)c1ccc2[nH]ccc2c1 788551846 OMTYTTOQMDNUDU-UTCJRWHESA-N 307.353 3.335 10 10 DGCE C[C@@H](CC(=O)NCc1ccc(N2CCCC2)cc1)[C@H]1CCCO1 821844123 YRVFEKRCVWBRNW-MAUKXSAKSA-N 316.445 3.108 10 10 DGCE COc1cc(CN2CC[C@H](O)C2(C)C)c(O)c(C(C)(C)C)c1 825956240 ZTDIDILPDSSDNV-HNNXBMFYSA-N 307.434 3.044 10 10 DGCE COC(=O)c1cnc(SC[C@@H](O)c2ccccc2C)s1 834383480 UFEPGYXTGLZGBI-LLVKDONJSA-N 309.412 3.064 10 10 DGCE C[C@@H]1CN(C)CC[C@H]1N(C)C/C=C\c1ccc(N(C)C)cc1 835054457 VTHZOHJBQCIHMV-QXJVMSCWSA-N 301.478 3.038 10 10 DGCE COc1c([N+](=O)[O-])ccc(CNCC2(C3CCC3)CCC2)c1O 835059756 YAENCAJQZZDEAI-UHFFFAOYSA-N 320.389 3.369 10 10 DGCE CCOc1ccc(O)c(CNCc2ccc([C@@H](C)N)cc2)c1 841029803 SKOYVDFQVQLRGY-CYBMUJFWSA-N 300.402 3.100 10 10 DGCE Oc1c(F)cc(Cl)cc1CN1CCCC[C@@H]1[C@@H]1CCNC1 841087479 OGGTZBSZPCRDKU-IAQYHMDHSA-N 312.816 3.149 10 10 DGCE OCC1(CCNCc2ccc(N3CCCCC3)cc2)CCC1 846103838 ZSGACISXMLKTKT-UHFFFAOYSA-N 302.462 3.319 10 10 DGCE C[C@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CCc2ccccc21 846515849 FHLVKLNGXKCWHK-KGXGESDWSA-N 323.392 3.299 10 10 DGCE Oc1cc2c(cc1CN1CC3(CCC3)[C@@H]1c1ccncc1)OCO2 853629663 LSLVXBFZBWMWBT-SFHVURJKSA-N 324.380 3.243 10 10 DGCE Cc1ccc(O[C@@H]2CCN(Cc3ccc(N(C)C)cc3)C2)nc1 858010997 ITMNRIVOMLXJAG-GOSISDBHSA-N 311.429 3.109 10 10 DGCE COc1cc(C)cc(CNC[C@@H]2CCO[C@@H](C(C)C)C2)c1O 894898706 IJLLWLBLAZDWNE-GDBMZVCRSA-N 307.434 3.250 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@@H]2CC[C@@H]3COCC[C@H]3C2)c1 922213612 PSNUEETWGRMNEK-BYNSBNAKSA-N 305.418 3.257 10 10 DGCE CCc1noc([C@@H]2CC[C@H](NCc3c(O)cccc3Cl)C2)n1 922864195 CADVDUHBGZBVIE-MNOVXSKESA-N 321.808 3.417 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C[C@H]1COC(C)(C)O1 1190437352 XPRCPKIPBNIIEO-KRWDZBQOSA-N 306.450 3.115 10 10 DGCE COCCN(Cc1cc(C)ns1)c1ccc(OC)c(OC)c1 1307533339 GCYHGTYIZRCPNB-UHFFFAOYSA-N 322.430 3.122 10 10 DGCE CC[C@@H](C)C(=O)N[C@H]1C[C@H](CNCc2ccc(OC)c(C)c2)C1 1330563290 CWPLRKREZMEROE-KBRIMQKVSA-N 318.461 3.034 10 10 DGCE CC[C@H](C)CC(=O)NC[C@H](C)NCc1ccc(OC)c(C)c1 1491441024 IFSLILXCLHYHBC-ZFWWWQNUSA-N 306.450 3.034 10 10 DGCE Cc1ccc2c(CCC(=O)NCc3ccc(O)cc3O)c[nH]c2c1 1557085009 YNGIFLOFYVZBIH-UHFFFAOYSA-N 324.380 3.137 10 10 DGCE Cc1cc(C)c(C(=O)NCc2ccc3cccnc3c2O)c(C)n1 1557123341 NRIBYHIYQTVBMM-UHFFFAOYSA-N 321.380 3.191 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCCC[C@@H]2C)cc1 1616534007 MLLUCJNQMDQFDT-MAUKXSAKSA-N 318.461 3.416 10 10 DGCE CCC[C@@H](CC)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 1631380975 ROXUWHHQOABHCO-CQSZACIVSA-N 322.424 3.309 10 10 DGCE O=C(NCc1ccccc1O)C1(c2nccc3ccccc23)CC1 1636058374 ZDZFDXCHNAZXIP-UHFFFAOYSA-N 318.376 3.288 10 10 DGCE COc1c(Cl)cccc1CNC(=O)NCc1ccccc1O 1638718112 UTLOFPCNTTXQCP-UHFFFAOYSA-N 320.776 3.054 10 10 DGCE COc1ccc(N2CCN(C[C@@H]3CC[C@H]4C[C@@H]4C3)CC2)cc1F 1653749226 GWWRUQHCANYGPH-PMPSAXMXSA-N 318.436 3.393 10 10 DGCE CN1C[C@@H]2CC[C@@H](NCc3cc(Cl)cc(Cl)c3O)[C@H]2C1 1658777795 IZBMUWBGERSACK-DUFXMDAXSA-N 315.244 3.129 10 10 DGCE CC1=NN(Cc2ccccc2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1 1865676584 FEPWOTOYUMAKEN-GZTJUZNOSA-N 321.336 3.397 10 10 DGCE Nc1ccc(NC(=O)c2cc(O)c3cccc(Cl)c3n2)cc1 1866495465 CZZJZIHXDUTFDT-UHFFFAOYSA-N 313.744 3.428 10 10 DGCE [N-]=[N+]=NCC1CCN(Cc2nc(Cl)cc(Cl)n2)CC1 1912142961 UXFZURWGUFEPRM-UHFFFAOYSA-N 301.181 3.306 10 10 DGCE Cc1cc(N(Cc2ccccc2)C2COC2)ccc1C[C@@H](C)N 1915640869 OKFHEISCENZCDO-MRXNPFEDSA-N 310.441 3.290 10 10 DGCE CN(C(=O)OC(C)(C)C)C(C)(C)C[C@H](N)c1ccccc1O 1925335165 YYESNTHYDKLEHN-ZDUSSCGKSA-N 308.422 3.428 10 10 DGCE C[C@@H](NCc1nccn1Cc1ccccc1)c1ccc(O)cc1O 1942380455 SBIYZYPKAFGYGX-CQSZACIVSA-N 323.396 3.193 10 10 DGCE Cc1cc([C@@H](NN)c2ccccc2O)c(Br)s1 1951118770 PRYOCSTYVQHIKU-NSHDSACASA-N 313.220 3.077 10 10 DGCE CCOc1cccc([C@H]2CC(=O)CN2C(=O)OC(C)(C)C)c1O 1952057531 UONHQDSQCSXJIG-CYBMUJFWSA-N 321.373 3.042 10 10 DGCE Cc1cc(O)c([C@@H]2[C@@H](N)CCCN2C(=O)OC(C)(C)C)cc1C 1953043508 GJAHDVFXDBNXSZ-GOEBONIOSA-N 320.433 3.408 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](Nc3ccc(N)cc3)[C@H]1C2 1959358414 BBPVXNSDRAORMB-KCPJHIHWSA-N 303.406 3.079 10 10 DGCE CCc1ncc(CNCc2cc(Cl)cc(OC)c2O)s1 1967717694 VLILCWSRFJJYAT-UHFFFAOYSA-N 312.822 3.363 10 10 DGCE CP(C)(=O)CCCNCc1c(O)cccc1Br 1969960179 REABMRDXLURRQD-UHFFFAOYSA-N 320.167 3.257 10 10 DGCE Nc1ccc(CCCN(CCC(=O)O)Cc2ccccc2)cc1 1984502861 SZUANAYEKFEPKA-UHFFFAOYSA-N 312.413 3.178 10 10 DGCE C[C@H](c1ccccc1O)N(C)CC(=O)N(C)Cc1ccccc1 1989687352 KIWZXQQETRUOCQ-OAHLLOKOSA-N 312.413 3.044 10 10 DGCE C[C@H](N)c1cc(F)c(N(Cc2ccccc2)C[C@@H](C)O)c(F)c1 1990438516 BSZBBBBTWUANIL-OLZOCXBDSA-N 320.383 3.372 10 10 DGCE CC[C@](C)(COC)NCc1ccc(Br)cc1O 2014272310 JYNMABDKUOAKLQ-CYBMUJFWSA-N 302.212 3.059 10 10 DGCE CSC1CC(CNCc2ccc(Br)cc2O)C1 2016147197 GGWQMDJGZMBGQW-UHFFFAOYSA-N 316.264 3.386 10 10 DGCE CCCN(CCOC)c1ccc([C@@H](C)N)c(Br)c1 2036708547 NYXJFFIHQCPXFQ-LLVKDONJSA-N 315.255 3.332 10 10 DGCE CCc1cccc(CNc2c(Br)cnn2C)c1O 2038252034 BMMSAGRMUYPUBD-UHFFFAOYSA-N 310.195 3.063 10 10 DGCE CCO[C@@H](CNCc1cccc(Br)c1O)C1CC1 2068152306 UPHCVHWZILKEAM-ZDUSSCGKSA-N 314.223 3.059 10 10 DGCE CNCc1ccc(N2CC[C@@H]3CC[C@H]3C2)c(Br)c1 2068263965 WQBUHVCIECQNRV-STQMWFEESA-N 309.251 3.405 10 10 DGCE COc1ccc(O)c([C@@H](C)n2cc(C(=O)OC(C)(C)C)cn2)c1 2069977689 RANUHKDCKOAWDV-LLVKDONJSA-N 318.373 3.162 10 10 DGCE Cc1cc(Cl)n(Cc2cccc(Br)c2O)n1 2070040731 OINLMOVAGOUWGL-UHFFFAOYSA-N 301.571 3.361 10 10 DGCE COc1cnn(Cc2cccc(Br)c2O)c1Cl 2070311774 ITPHSESPUNJLRK-UHFFFAOYSA-N 317.570 3.062 10 10 DGCE CN(C[C@H]1C[C@@H]1CF)c1cc(Br)c(CN)cc1F 2071382533 QYAYEHVWTBJSQH-PSASIEDQSA-N 319.193 3.089 10 10 DGCE Cc1ccc([C@@H](C(C)C)n2nc(C(C)C)c(CN)c2N)c(O)c1 2078980569 GUWCOGTUMAZTKY-QGZVFWFLSA-N 316.449 3.307 10 10 DGCE CCCN[C@@H](c1ncc(Br)cn1)c1ccccc1O 2090038854 BBQLBGWUQAWYQO-CYBMUJFWSA-N 322.206 3.034 10 10 DGCE CN1CCc2cc([C@@H](N)c3ccccc3Br)ccc21 2106800346 GSMISMSWQODKOX-MRXNPFEDSA-N 317.230 3.490 10 10 DGCE Cc1cc(CN(C)c2ccc([C@@H](C)N)c(Br)c2)no1 2115102708 FEIIPNINIXTOJD-SNVBAGLBSA-N 324.222 3.402 10 10 DGCE Oc1cccc(Cl)c1CNCc1cc2c(s1)CCOC2 2159481747 PZRIXZMBGKQYRF-UHFFFAOYSA-N 309.818 3.470 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)c1csc(C(F)(F)F)n1 2165238837 HTUZIEHWZMGYAG-ZCFIWIBFSA-N 305.285 3.077 10 10 DGCE CC(C)C[C@H]1COCCN1c1cc(Cl)c(CN)cc1F 2177381703 QBVPACFJDOMUCX-LBPRGKRZSA-N 300.805 3.189 10 10 DGCE COc1ccc(Br)c(CN[C@@H]2CC2(C)C)c1O 2214869628 XBHRPAQFHYPDMN-LLVKDONJSA-N 300.196 3.051 10 10 DGCE C[C@@H]1CC[C@@H]1CNCc1cc(Br)cc(F)c1O 2215006909 CYQNAMVCSHYDGG-RKDXNWHRSA-N 302.187 3.430 10 10 DGCE COc1cc(Br)ccc1C(=O)Cc1ccc(N)cc1 2231169677 YKTFZVDKLJHVPV-UHFFFAOYSA-N 320.186 3.465 10 10 DGCE COCC1(CNCc2cc(Cl)ccc2O)CC(F)(F)C1 2295608539 LYTNRTFLSRAPRQ-UHFFFAOYSA-N 305.752 3.197 10 10 DGCE O=C1C(=CNc2nccs2)SC(=S)N1c1ccccc1 2296270512 OYINWAXNJUVIOW-UHFFFAOYSA-N 319.436 3.461 10 10 DGCE NCc1cc(F)c(N2CC[C@H](SC(F)F)C2)cc1Cl 2340101403 WCVMHNPWEBFTDV-QMMMGPOBSA-N 310.772 3.472 10 10 DGCE Cc1ccc(O)c([C@H](C)Nc2ccccc2S(C)(=O)=O)c1 37075968 WXECPDQKPLBQML-LBPRGKRZSA-N 305.399 3.277 10 10 DGCE Cc1cc(Cl)cc(CN2CCO[C@@H](c3nccs3)C2)c1O 180008244 BQWJYWDPVDHLME-CYBMUJFWSA-N 324.833 3.384 10 10 DGCE C[C@H]1CCN(Cc2c(O)cccc2Cl)C[C@@H]1n1ccnc1 271228102 BFMFKLMMCFFXLN-WFASDCNBSA-N 305.809 3.325 10 10 DGCE CC[C@@H](NC[C@@H](CO)c1cccnc1)c1cc(Cl)ccc1O 806178052 BOJVCXYMZDXXFO-XJKSGUPXSA-N 320.820 3.257 10 10 DGCE C[C@H](N[C@H]1COc2ccc(F)cc2C1)c1cc(F)ccc1O 808728061 MMBXTNQVGZSORP-IINYFYTJSA-N 305.324 3.325 10 10 DGCE COc1cc2c(cc1F)CC[C@H]2NC(=O)c1cc(O)cs1 802659613 XDTRKFMXTNLFCB-GFCCVEGCSA-N 307.346 3.019 10 10 DGCE Oc1cc(F)c(Cl)cc1CN1CCC[C@@H](OC(F)F)C1 816566343 RTOUVSNTLRCJPW-SECBINFHSA-N 309.715 3.388 10 10 DGCE Cc1cc(CN2CC[C@H](O)C2(C)C)ccc1N1CCCCC1 829974070 VPBZKDVHCKRJAP-SFHVURJKSA-N 302.462 3.331 10 10 DGCE CN(Cc1cccs1)c1ccc(CN2CCO[C@H]3C[C@H]32)cc1 824426858 DSXLJFQHJLHRBQ-MSOLQXFVSA-N 314.454 3.358 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCCCC[C@H]1N 825942854 MQZUPHFHAMJPDF-QZTJIDSGSA-N 317.477 3.009 10 10 DGCE Oc1cc(Br)ccc1CN1CC2(CC(F)C2)C1 826114141 VNZGCTBUZCHTQE-UHFFFAOYSA-N 300.171 3.089 10 10 DGCE CN(C/C=C\c1ccc(N(C)C)cc1)Cc1ncc(Cl)n1C 835045376 VJZUBIILEQPFOO-WAYWQWQTSA-N 318.852 3.285 10 10 DGCE C[C@@H]1CC[C@H](C(=O)O)C[C@@H]1NC/C=C\c1ccc(N(C)C)cc1 904030362 CLXZRXQNLGLLRT-DFOWFJPXSA-N 316.445 3.245 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)c1[nH]ccc1C1CC1 837481866 UPGXWXLWVLEPIB-UHFFFAOYSA-N 310.397 3.407 10 10 DGCE Cc1ccc(C(=O)N2CC3(CCC3)[C@@H]2c2cccnc2)c(O)c1O 912040807 JHAOBSCWLRLOFV-KRWDZBQOSA-N 324.380 3.169 10 10 DGCE FC(F)c1ccc(NCc2ccc(N3CCOCC3)cc2)cn1 849347326 CVWKWDMQLDRBOG-UHFFFAOYSA-N 319.355 3.468 10 10 DGCE CC[C@H]1CN(c2ccccc2)CCN1C(=O)Nc1ccc(N)cc1 841295550 BDEQFHMAZUDPAM-KRWDZBQOSA-N 324.428 3.402 10 10 DGCE O=[N+]([O-])c1ccc(O)c(CN[C@@H]2CCSC3(CCC3)C2)c1 922842318 LKGIRPVRMXGMNI-GFCCVEGCSA-N 308.403 3.208 10 10 DGCE Cc1cc(O)c(CNC2CCN(CC(F)F)CC2)c(Cl)c1 840886335 CIRCMFXLXXATJE-UHFFFAOYSA-N 318.795 3.173 10 10 DGCE CO[C@@H](CN(C)c1ccc(-c2nccs2)cc1)[C@@H]1CCOC1 852165248 AHUUXXRVNYAMGS-ZBFHGGJFSA-N 318.442 3.298 10 10 DGCE CCN(CC)c1ccc(CNc2nnc(COC)s2)cc1F 763354146 XEPGOBAJTXRXCS-UHFFFAOYSA-N 324.425 3.282 10 10 DGCE CC[C@H](N[C@@H]1CCN[C@H]1C)c1ccc(C(F)(F)F)cc1O 863546572 LFXAZHNRCFKAJL-TVYUQYBPSA-N 302.340 3.202 10 10 DGCE Cc1ccc(N(C)C(=O)/C=C/c2cncc(O)c2)cc1Cl 770490722 MFQYHGVVYYYCFF-GQCTYLIASA-N 302.761 3.425 10 10 DGCE CC1(C)CN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]2CCC[C@@H]21 891165335 JIQXQJJCAASRQH-UONOGXRCSA-N 314.389 3.500 10 10 DGCE CC[C@@H](NC[C@H]1COc2ccccc2O1)c1ccc(F)cc1O 796665698 KONHLIJPNJECLI-DZGCQCFKSA-N 317.360 3.412 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C)c2ccnn2C)cc1 1132520758 AMDOIFCUADCGMG-HNNXBMFYSA-N 322.412 3.319 10 10 DGCE O=C(NCc1ccc(O)cc1O)c1cc2cc(Cl)ccc2[nH]1 1142529746 DERRLZMKWUWDTB-UHFFFAOYSA-N 316.744 3.163 10 10 DGCE C[C@@H](Cc1ccccc1Cl)NC(=O)Cc1ccc(O)c(O)c1 1141749974 BHDXXDRMXPTLTP-NSHDSACASA-N 319.788 3.041 10 10 DGCE CCO/C=C1/SC(=S)N(c2ccccc2OCC)C1=O 1088727028 GIXZTQARHSVZLC-FMIVXFBMSA-N 309.412 3.328 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2C[C@@H]1CCC2(CCC2)O1 1168858977 IGRJBTOSWYMOBT-HNNXBMFYSA-N 302.418 3.053 10 10 DGCE C[C@@H]1CN(CCc2ccc(N)cc2)CCN1Cc1ccccc1 396481344 LTMMPKHXTIOXEG-QGZVFWFLSA-N 309.457 3.018 10 10 DGCE CC1(C)CO[C@H](CNCc2ccc(Br)cc2O)C1 717633169 KXDAZDXCPSYFQF-LBPRGKRZSA-N 314.223 3.059 10 10 DGCE O[C@]1(C2CC2)CCCN(Cc2ccc(N3CCCC3)cc2)C1 1261673096 KZNRLCZUUJEDFE-LJQANCHMSA-N 300.446 3.024 10 10 DGCE CN(C(=O)c1ccccc1-c1cn[nH]c1)c1ccc2c(c1)OCO2 1446242520 KKFNGCGARVCVNR-UHFFFAOYSA-N 321.336 3.082 10 10 DGCE CC(=O)c1csc(C(=O)NCc2cccc(Cl)c2O)c1 1457034526 HOHXNQPTXLIEIR-UHFFFAOYSA-N 309.774 3.240 10 10 DGCE O=C(CCC(=O)c1cccs1)NCc1cccc(Cl)c1O 1606859975 CPWGNOAVTBKWTN-UHFFFAOYSA-N 323.801 3.386 10 10 DGCE O=C(c1c(F)ccc(O)c1O)N1Cc2cccc(Cl)c2C1 1472628102 CQNGHKVXSWAYLF-UHFFFAOYSA-N 307.708 3.046 10 10 DGCE COc1ccc(N(C)C[C@@H]2COC3(CCCCC3)O2)c(OC)c1 1473295133 XOFPOXAOKGLRRC-OAHLLOKOSA-N 321.417 3.216 10 10 DGCE CC/C(C)=C\C(=O)NCC[C@H](C)NCc1ccc(OC)c(C)c1 1484991703 JFISKJWGRSUFTR-QBOMHBFWSA-N 318.461 3.344 10 10 DGCE Cc1nc2cc(C(=O)NCc3cccc(Cl)c3O)ccc2o1 1558757840 UVRNXCKPWGJHGF-UHFFFAOYSA-N 316.744 3.425 10 10 DGCE Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H](C)c1ccccc1O 1635804485 WBIDXXRPPAWPMJ-JTQLQIEISA-N 318.304 3.239 10 10 DGCE CCN(C(=O)CNCc1cc(Cl)ccc1O)c1ccccc1 1857858370 UBSPMBHGHFJLTL-UHFFFAOYSA-N 318.804 3.188 10 10 DGCE C[C@@H](N)c1ccc(N(Cc2ccccc2)CC(C)(C)O)cc1O 1915405299 YAUXLALRKQLFBJ-CQSZACIVSA-N 314.429 3.189 10 10 DGCE CC[C@@]1(F)CCN(c2ccc(CNC)cc2Br)C1 1925603897 LWLUCHYUNXMIIE-CQSZACIVSA-N 315.230 3.497 10 10 DGCE C[C@@H]1[C@H]([C@@H](N)c2ccccc2O)CCN1C(=O)OC(C)(C)C 1928479860 AGXPYJUFUNREHG-LALPHHSUSA-N 306.406 3.038 10 10 DGCE CCN[C@@H](c1ccccc1O)C1(N(C)C(=O)OC(C)(C)C)CC1 1936978205 YTTNRUZIAVFRSJ-HNNXBMFYSA-N 320.433 3.442 10 10 DGCE COc1ccc(O)c(CN[C@@H]2CC[C@H]2OCc2ccccc2)c1 1939572917 BATVVUHUANMDFY-IEBWSBKVSA-N 313.397 3.238 10 10 DGCE CC(C)(C)OC(=O)N1CCC2(CC(Oc3ccc(N)cc3)C2)C1 1992466793 JVYFPIUMVSLQAR-UHFFFAOYSA-N 318.417 3.437 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CC(C(F)(F)F)C2)c1O 2152313926 ZOBPDEKJYAERFS-UHFFFAOYSA-N 307.699 3.242 10 10 DGCE CCCc1nc(Sc2ncc(CNCC(C)C)s2)n[nH]1 2155328568 LWYKBIUWVAYUPJ-UHFFFAOYSA-N 311.480 3.111 10 10 DGCE CC[C@@H](NCCc1cn[nH]c1)c1cc(Br)ccc1O 289978299 XUBFNAOGQSFENF-CYBMUJFWSA-N 324.222 3.161 10 10 DGCE C[C@@H](N)c1ccc(N(C)[C@H]2CCCOC2)cc1Br 401496084 DJOFNVLJCJEPCT-PWSUYJOCSA-N 313.239 3.084 10 10 DGCE C[C@@H]1O[C@H](C)[C@H](NCc2c(O)cccc2Br)[C@H]1C 706883728 XRYHMOYNVUXNOQ-LFNDISMMSA-N 314.223 3.056 10 10 DGCE CO[C@@H]1CCC[C@@H]1N(C)Cc1c(O)cccc1Br 687463076 MEEISAMOWXREOP-GXTWGEPZSA-N 314.223 3.154 10 10 DGCE CCOC(=O)c1cc(CC)nn1[C@@H](C)c1cc(C)ccc1O 2069881823 KZDISXXVZLKSEX-LBPRGKRZSA-N 302.374 3.246 10 10 DGCE S=C(NCc1ccc(Br)cn1)Nc1ccccc1 1200840258 PVUYGPMUQAGIIQ-UHFFFAOYSA-N 322.231 3.331 10 10 DGCE CN(C[C@H]1[C@H]2CCC[C@H]21)c1ccc(CN)c(Br)c1 2048408224 XORUORPAZJPTSG-BTTYYORXSA-N 309.251 3.390 10 10 DGCE C[C@H](N)c1ccc(N2CC3(CC(F)C3)C2)c(Br)c1 2051885222 LPQODYQPWIBTQL-VIFPVBQESA-N 313.214 3.407 10 10 DGCE C[C@@H](N)c1ccc(N2CC(F)(C3CC3)C2)c(Br)c1 2052053503 LJFVNFGBYFINMB-SECBINFHSA-N 313.214 3.407 10 10 DGCE COc1ccc(N2CC[C@@H](OCc3ccccc3)C2)c(C=O)c1 2211293141 MLINCHCAFDLDQN-GOSISDBHSA-N 311.381 3.303 10 10 DGCE C[C@@H](O)c1ccc(N(C)Cc2cccn2C)c(Br)c1 2114546350 RRUCENMODNAJTD-LLVKDONJSA-N 323.234 3.477 10 10 DGCE C[C@H](O)c1ccc(N(C)C[C@]2(C)CSCCO2)cc1Cl 2201226175 GZPBYEVJSANWAE-XHDPSFHLSA-N 315.866 3.352 10 10 DGCE CC[C@@H](C)C[C@@](CSc1nccs1)(NC(C)C)C(=O)O 2207913632 BTWLSAQWWYABFD-RISCZKNCSA-N 316.492 3.493 10 10 DGCE COc1ccc(Br)c(CN2C[C@@H](C)[C@H](C)C2)c1O 2220490227 ZTBXEQLESLOEPX-NXEZZACHSA-N 314.223 3.251 10 10 DGCE Cc1cc(Br)cnc1C(=O)N1CCC[C@H](N=[N+]=[N-])C1 2269660101 ZEPMDNJMIGNPMY-JTQLQIEISA-N 324.182 3.067 10 10 DGCE O=C1C(=Cc2ccccc2)SC(=S)N1Cc1cccnc1 2293311821 HTAUTYCWBNMDEY-UHFFFAOYSA-N 312.419 3.483 10 10 DGCE CNCc1cc(F)c(N(C)CC2CC(SC)C2)c(F)c1 2284095560 LOZWBXXHACUNGB-UHFFFAOYSA-N 300.418 3.262 10 10 DGCE COc1cc([N+](=O)[O-])ccc1NCc1cnc(SC)s1 2284493590 CHSVVUFHFKQTAQ-UHFFFAOYSA-N 311.388 3.394 10 10 DGCE CCN(CC(C)(C)CN)c1cc(Cl)c(OC)cc1OC 2285935434 IVVCGXXAALAMQB-UHFFFAOYSA-N 300.830 3.168 10 10 DGCE COc1ccc(N(C)C(=O)/C=C\c2cncc(C)c2)cc1OC 492234328 VKKPBOVDNSIQJX-YVMONPNESA-N 312.369 3.083 10 10 DGCE CCCN(CCC)NCc1cc(Br)cc(F)c1O 2318662149 QLHVBWLASCOLGZ-UHFFFAOYSA-N 319.218 3.420 10 10 DGCE Cc1ccc(CNC(=O)[C@H](C)C2CC2)c(O)c1Br 2327802511 ZZXURVLLSRVPGT-SECBINFHSA-N 312.207 3.125 10 10 DGCE CSc1ccc([C@H](C)NC(=O)Cc2ccc(N)cc2)cc1 37021360 CYZRBJBAEWRUHE-LBPRGKRZSA-N 300.427 3.411 10 10 DGCE O=C(O)c1cc(Sc2nccs2)c(F)cc1[N+](=O)[O-] 50033219 HVAAESHPDDWWJP-UHFFFAOYSA-N 300.292 3.040 10 10 DGCE CCN(CCOC)c1c(F)cc(CNC(C)(C)C)cc1F 62737250 BBINBENGZFIUBP-UHFFFAOYSA-N 300.393 3.326 10 10 DGCE CCNC[C@H]1CCCN(Cc2ccc(N(CC)CC)cc2)C1 66057145 MGLLHKLHKUWZNX-GOSISDBHSA-N 303.494 3.354 10 10 DGCE Cc1cc2c(n1-c1ncccc1Br)CCC[C@H]2N 88447467 UIQPXZYINRALTM-GFCCVEGCSA-N 306.207 3.279 10 10 DGCE N[C@H](CC(F)(F)F)c1cc(Br)cc(F)c1O 95716561 LZFDBCYFERZREX-SSDOTTSWSA-N 302.065 3.246 10 10 DGCE CCCN1CCN(c2ccc(CNC3CC3)cc2Cl)CC1 126325339 DLRWROGCSYUKNX-UHFFFAOYSA-N 307.869 3.124 10 10 DGCE CN(C)c1ccc(Cn2nccc2NC(=O)c2ccccc2)cc1 127668130 BLPQQXHWOIIQOZ-UHFFFAOYSA-N 320.396 3.250 10 10 DGCE C[C@H]1CC[C@@H](C)N(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 173291381 NZUDCZYZBHJJPG-JKSUJKDBSA-N 313.445 3.393 10 10 DGCE Oc1c(Cl)cccc1CN1CC[C@H](Oc2cccnc2)C1 180484509 DRZKRONRWYLAGO-AWEZNQCLSA-N 304.777 3.094 10 10 DGCE CO[C@@H](C)[C@H](C)N[C@@H](C)c1cc(Br)ccc1O 191641010 OTKRFVYHYHAMON-GUBZILKMSA-N 302.212 3.229 10 10 DGCE CC(C)[C@H]1CN[C@H](C)CN1c1ccc(OC(F)(F)F)cc1 225389351 IVDULQAAQOQDHK-BXUZGUMPSA-N 302.340 3.408 10 10 DGCE CC(C)(C)[C@@H](N)c1ccc(I)cc1O 238140253 AVROLVXARBXVKQ-JTQLQIEISA-N 305.159 3.043 10 10 DGCE Cc1cc(Cl)cc(CN2CCC(O)(C(F)(F)F)CC2)c1O 272724349 FVXRIPCZQNYCPH-UHFFFAOYSA-N 323.742 3.243 10 10 DGCE CN(C)c1ccc(CNC(=O)N2CC3(CCC3)[C@H]2C2CC2)cc1 290787041 NSZOQXLLXVTFSR-QGZVFWFLSA-N 313.445 3.227 10 10 DGCE C[C@H](N[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)c1ccc(O)cc1O 381666842 BGUKIIQIZUDNFV-SRVKXCTJSA-N 324.421 3.050 10 10 DGCE C[C@H]1CN(Cc2ccccc2)C[C@@H]1NCc1cccc(F)c1O 389837857 LINHCLJMTLPWJB-KSSFIOAISA-N 314.404 3.141 10 10 DGCE COC(=O)Cc1ccc2scc(O)c2c1Br 396269380 LRUVOFHGYIXSPV-UHFFFAOYSA-N 301.161 3.085 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)c2cscc2Br)C1 404796251 HZVQWIVUEBHMIP-ZETCQYMHSA-N 315.196 3.426 10 10 DGCE CC[C@H](NC[C@H]1c2ccccc2C(=O)N1C)c1ccccc1O 528009981 ZTURPXRQXSUGPL-IRXDYDNUSA-N 310.397 3.260 10 10 DGCE CN(CCc1ccc(Br)cn1)Cc1ccc(N)cc1 695737528 AVYAIVMEBIXYNL-UHFFFAOYSA-N 320.234 3.101 10 10 DGCE C[C@@H]1CN(c2ccc(/C=C/C(=O)O)cc2Br)[C@@H]1C 706830225 ITIWKJDGVFUCFR-NEPGKVPFSA-N 310.191 3.392 10 10 DGCE CCCN(Cc1c(O)cccc1Br)[C@H]1CCOC1 707140384 QCNZAHDEUOCKQZ-NSHDSACASA-N 314.223 3.156 10 10 DGCE CC[C@@H]1C[C@H](N(C)Cc2c(O)cccc2Br)CO1 707165498 FHKWATJHUAHTOA-WDEREUQCSA-N 314.223 3.154 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CCOC[C@H]1C 762707595 TXDKRCVFGHRAQF-RISCZKNCSA-N 318.442 3.310 10 10 DGCE CCCN(Cc1ccc(N2CCOCC2)cc1)CC(F)(F)F 768867128 CHPJQKDIDSSLHB-UHFFFAOYSA-N 316.367 3.298 10 10 DGCE COc1ccc2c(c1)CCCN2Cc1cc(-c2cnn(C)c2)no1 769203378 DJKWGWGNOVYPNG-UHFFFAOYSA-N 324.384 3.037 10 10 DGCE CC[C@H](NCc1cn(C)nn1)c1ccc(Cl)c(Cl)c1O 775552025 RQJKRQPDYGRUPG-NSHDSACASA-N 315.204 3.068 10 10 DGCE COc1cc2c(cc1F)CC[C@H]2NCc1cccc(OC)c1O 800898295 CYRCPJRTQXJWKT-OAHLLOKOSA-N 317.360 3.326 10 10 DGCE Cc1coc(C)c1C(=O)NCc1cc(Br)ccc1O 804739138 RZHMUWCEKYABMP-UHFFFAOYSA-N 324.174 3.295 10 10 DGCE CCOc1ccc(O)c(CN[C@H]2COc3c(C)cccc3C2)c1 810177681 BZOLLFRAMCBASJ-MRXNPFEDSA-N 313.397 3.193 10 10 DGCE COCc1nc(C(=O)Oc2ccc3c(c2)c(C)c(C)n3C)co1 817762874 YWBORHRKFJPQMP-UHFFFAOYSA-N 314.341 3.149 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCC[C@@H]2CN2CCCC2)cc1 835027937 OIUXEHFGWKKCJG-ZEZYUPADSA-N 313.489 3.326 10 10 DGCE CN(C)c1ccc(/C=C\CNC2C[C@@H]3CCC[C@H](C2)N3C)cc1 835041280 AARVGOLTIBHCBW-LOTUCHTNSA-N 313.489 3.371 10 10 DGCE CN1CC[C@@H]2[C@@H](CCCN2C/C=C\c2ccc(N(C)C)cc2)C1 835052955 IVBVXDIXBKQSPH-JBJGNSMKSA-N 313.489 3.182 10 10 DGCE COc1ccc(CNC/C=C\c2ccc(N(C)C)cc2)c(O)c1 835053242 UVMZAZQLNMBNQY-PLNGDYQASA-N 312.413 3.270 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@H](C2CC2)[C@@H](CO)C2CC2)cc1 835053478 CXDZFXDHGUZFCD-FPMVPNIMSA-N 314.473 3.153 10 10 DGCE CN(C)c1ccc(/C=C/CN(C)C2CCC(CO)CC2)cc1 835054166 RPNFRZGJEOHLDZ-SNAWJCMRSA-N 302.462 3.249 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCC[C@@]3(CCOC3)C2)cc1 835054899 MYRQVTMJTXGGFD-SIEMBAAWSA-N 300.446 3.268 10 10 DGCE O=[N+]([O-])c1cc(Cl)cc(CN2CC(CC(F)(F)F)C2)c1O 839139269 ZKTOKQBXDRNVHJ-UHFFFAOYSA-N 324.686 3.338 10 10 DGCE COCCN(Cc1c(O)cc(C)cc1Cl)CC(F)(F)F 840912336 MSLMZXGRHPQLSW-UHFFFAOYSA-N 311.731 3.365 10 10 DGCE CN1Cc2c(NC/C=C\c3ccc(N(C)C)cc3)cccc2C1=O 840958298 QDQKTJIIEKCVIB-WAYWQWQTSA-N 321.424 3.464 10 10 DGCE CCO[C@@H]1C[C@@H](NCc2cc(Cl)cc(F)c2O)[C@@H]1SC 843429379 BUEPUJYJRHUXCG-BZPMIXESSA-N 319.829 3.183 10 10 DGCE CCOc1ccc(O)c(CN(Cc2cnn(CC)c2)C(C)C)c1 846054953 ICVLILMQZYGDNB-UHFFFAOYSA-N 317.433 3.418 10 10 DGCE CC[C@H](N[C@H](COC)C1CCOCC1)c1ccc(F)cc1O 850494865 YNDVJKJXDWFPRB-JKSUJKDBSA-N 311.397 3.014 10 10 DGCE C[C@H]1CN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC[C@@H](C)O1 852261288 OZBPTZNTHYKYEA-QLFBSQMISA-N 319.449 3.023 10 10 DGCE C[C@@H](NCC12CC(CN1)C2)c1ccc(N2CCCCCC2)cc1 854227788 QMQXLSOOKLVMOF-ZRZPHAQCSA-N 313.489 3.470 10 10 DGCE Cc1cc(C2(NCc3cc(C)c(C)cc3O)CCOCC2)on1 858326008 SWFFOPCCPNFGMM-UHFFFAOYSA-N 316.401 3.101 10 10 DGCE CC(C)N(Cc1c(O)cccc1Br)[C@@H]1CCOC1 862372519 NFEDBVFQSOJUEP-LLVKDONJSA-N 314.223 3.154 10 10 DGCE COc1ccc(C[C@H](C)C(=O)N2Cc3cccc(O)c3C2)cc1 871203044 LDTFOQWXPHAVCQ-ZDUSSCGKSA-N 311.381 3.122 10 10 DGCE O=C(c1ccc2c(c1O)CCCC2)N1Cc2cccc(O)c2C1 871204858 QMMWJIMTZTYCBN-UHFFFAOYSA-N 309.365 3.133 10 10 DGCE Cc1csc(CCCC(=O)N2Cc3cccc(O)c3C2)n1 871205150 PGEYHIKQPGUCKU-UHFFFAOYSA-N 302.399 3.022 10 10 DGCE CC(C)n1ncc(C(=O)NCc2ccc(N(C)C)cc2)c1Cl 1118966671 NORXJELRWZTLEX-UHFFFAOYSA-N 320.824 3.113 10 10 DGCE C[C@]1(C(F)F)CN(Cc2cc(Cl)c(F)cc2O)CCO1 1261694750 XYROIBZRSYHEGB-CYBMUJFWSA-N 309.715 3.041 10 10 DGCE CCn1cc(Cl)cc1C(=O)NCc1ccc(N(C)C)c(F)c1 1264827713 MSELCRSFVZBTFD-UHFFFAOYSA-N 323.799 3.297 10 10 DGCE CC[C@@H](CNC(=O)C=C1CCC1)NCc1ccc(OC)c(C)c1 1267800957 ITXKEFRDDTUSTP-KRWDZBQOSA-N 316.445 3.098 10 10 DGCE CCCCC(=O)N1C[C@H](NCc2ccc(OC)c(C)c2)C[C@@H]1C 1283946795 PYNYYPWINAXVAZ-DOTOQJQBSA-N 318.461 3.273 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)[C@@H](C)CCN(C)C)cc1 1463775195 HPZALXDATUEHII-INIZCTEOSA-N 319.493 3.079 10 10 DGCE CC(C)Oc1cc(F)ccc1NC(=O)Cc1ccc(O)c(O)c1 1466478242 ZBYKVBUSFOKQMO-UHFFFAOYSA-N 319.332 3.205 10 10 DGCE O=C(CCCc1c(F)cccc1F)NCc1ccc(O)cc1O 1469161352 YSFSPUYXNROKFJ-UHFFFAOYSA-N 321.323 3.015 10 10 DGCE CC(=O)c1cc(F)cc(CN2CC(F)(F)CC[C@H]2C)c1O 1473880189 SXRJFSSEQRDVIE-SECBINFHSA-N 301.308 3.354 10 10 DGCE CC(C)[C@H](CNC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 1540807679 LJPLAXHKTFMAAR-INIZCTEOSA-N 313.397 3.196 10 10 DGCE Cc1ccncc1/C=C/C(=O)N1CCOc2c(F)cc(F)cc21 1616246716 PMOBPUOIHZJYNI-NSCUHMNNSA-N 316.307 3.107 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)Nc1ccnc(-c2ccccc2)c1 1627806693 JJGUNCWULPMORO-UHFFFAOYSA-N 320.348 3.341 10 10 DGCE COc1cccc2[nH]c(C(=O)N[C@@H](C)c3ccccc3O)cc12 1632254600 DEJNEEKOGGFJAH-NSHDSACASA-N 310.353 3.373 10 10 DGCE C=C/C=C/CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 1632399467 VFRRQFXGFJANID-CWDCEQMOSA-N 301.386 3.032 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2CC[C@@H](O)c1ccccc1 1645147213 BVTYVVLCCHJBAD-GOSISDBHSA-N 312.413 3.075 10 10 DGCE Cc1cc(CN2[C@H]3CC[C@H]2CN(C)C3)ccc1N1CCCCC1 1659702241 DWTSPDUBAXALLS-OALUTQOASA-N 313.489 3.264 10 10 DGCE COc1ccc(CN[C@@H](C)CNC(=O)CCC2(C)CC2)cc1C 1662377230 FYDRKSUXKAEYGA-HNNXBMFYSA-N 318.461 3.178 10 10 DGCE CC[C@H](C)CC(=O)N1CC[C@H](NCc2ccc(OC)c(C)c2)C1 1690664065 SRLGKYGMTBQYIG-YOEHRIQHSA-N 318.461 3.130 10 10 DGCE CCC1=NN(Cc2ccccc2F)C(=O)/C1=C/c1cccn1C 1865670482 BXRWSXULMMGMAJ-RVDMUPIBSA-N 311.360 3.356 10 10 DGCE Oc1c(F)cc(Br)cc1CN[C@H]1C(F)(F)C12CC2 1876225154 FSXVUTKMYCOHQW-SNVBAGLBSA-N 322.124 3.181 10 10 DGCE Cc1cc(CO)ccc1N(Cc1ccccc1)[C@@H](CO)C1CC1 1915277717 GXGICSUNUIFBMD-FQEVSTJZSA-N 311.425 3.265 10 10 DGCE C[C@H](N[C@H]1CC[C@@H]1OCc1ccccc1)c1c(O)cccc1O 1939573711 GQKKJXNQBFGONX-YEWWUXTCSA-N 313.397 3.496 10 10 DGCE CC(C)(C)OC(=O)Nc1cccc(O)c1[C@H](N)C(F)(F)F 1952924738 HYLXDHQYVPXDEB-JTQLQIEISA-N 306.284 3.301 10 10 DGCE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1Nc1ccccc1N 1959369629 AFBPDNDJYHDMGQ-SWLSCSKDSA-N 305.422 3.326 10 10 DGCE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](C2)N1Cc1ccc(N)cc1 1959546560 XRHYXCDWTGZXSL-GJZGRUSLSA-N 303.406 3.158 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CCCCN(c2ccc(N)cc2)C1 1959563241 YRLIRZVHAPZFAR-AWEZNQCLSA-N 305.422 3.152 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@H]2CCCC3(CC2)OCCO3)c1 1967519521 CMPNUJDKUSYMEO-KBPBESRZSA-N 321.417 3.127 10 10 DGCE Cn1cnc2cc(NCc3ccc(C4OCCO4)cc3)ccc21 1970325026 UTGNSHWUYKFNSY-UHFFFAOYSA-N 309.369 3.231 10 10 DGCE OC[C@@H](CNCc1cc(Cl)cc(Cl)c1O)C1CCC1 1972472849 RCRPPXZFQUBKGW-LLVKDONJSA-N 304.217 3.197 10 10 DGCE C/C=C/C[C@H](NC(=O)OC(C)(C)C)[C@@H](N)c1ccccc1O 1974794745 ADBJLQSKUUJKNK-RFMXEPQUSA-N 306.406 3.252 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CC[C@H](NCc2c(O)cccc2F)C1 1976861386 VRNWXKHFAXJKKA-RYUDHWBXSA-N 324.396 3.067 10 10 DGCE Oc1cccc(Br)c1CN[C@@H](CF)C(F)(F)F 2012898856 SLNADWFJDMLDJO-VIFPVBQESA-N 316.092 3.145 10 10 DGCE COc1ccc(O)c(Cn2nc(C(C)C)c(C(C)C)c2N)c1 2079829158 AKAKCIOJDGMCAR-UHFFFAOYSA-N 303.406 3.475 10 10 DGCE CCc1nn([C@@H](c2cc(C)c(C)cc2O)C(C)C)c(N)c1C=O 2079951937 AHWDAYFEVOIKPO-QGZVFWFLSA-N 315.417 3.408 10 10 DGCE CCN(Cc1nn(C)c(C)c1Br)c1ccc(N)cc1 2093830014 VHUPCVMWKBCBIC-UHFFFAOYSA-N 323.238 3.100 10 10 DGCE COCCNCc1cnc(Sc2cccc(OC)c2)s1 2155334526 NNHOABVZZYLMMS-UHFFFAOYSA-N 310.444 3.039 10 10 DGCE C[C@H](N)c1cc(F)c(N(C)C[C@@H](F)C(F)(F)F)c(F)c1 2194688653 JAMQHIDTLBZTFA-QUBYGPBYSA-N 300.246 3.321 10 10 DGCE CSc1ncc(CNCc2c(C)nc3ccccn23)s1 2208471095 HLWKFLYFBBRHSO-UHFFFAOYSA-N 304.444 3.111 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCN(Cc2nscc2Br)C1 2211137675 JVTCBXPBQRLUEJ-ZETCQYMHSA-N 302.201 3.038 10 10 DGCE COc1ccc(N(C)CCOCc2ccccc2)c(C(=O)O)c1 2211284519 BAXUJMFFOATVHN-UHFFFAOYSA-N 315.369 3.046 10 10 DGCE COc1cc(Br)ccc1[C@H](O)Cc1ccc(N)cc1 2231120085 UCEYVIBIMYKHKV-CQSZACIVSA-N 322.202 3.316 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)c1csc(C(F)(F)F)n1 2234177816 WACKTLKKLQEGDE-PHDIDXHHSA-N 305.285 3.123 10 10 DGCE C[C@@H](O)c1ccc(N2CC(OC(F)(F)CF)C2)cc1Cl 2237642106 OSVPYYBMRIVWGM-MRVPVSSYSA-N 309.715 3.161 10 10 DGCE Nc1ccc(CCOc2nc(Cl)nc(Cl)c2F)cc1 2265668780 LNQJDFSALXVQBZ-UHFFFAOYSA-N 302.136 3.126 10 10 DGCE COc1ccc(C2=CC(=Cc3ccc([N+](=O)[O-])o3)C(=O)O2)cc1 2297315633 QBSFQTSBKWMIKN-UHFFFAOYSA-N 313.265 3.178 10 10 DGCE Cc1cccc(C=C2C(=N)N3N=C(C(C)C)SC3=NC2=O)c1 2297499675 UARNURMGNLDQTE-UHFFFAOYSA-N 312.398 3.270 10 10 DGCE COCc1cccc(C=C2SC(N3CCCCC3)=NC2=O)c1 2297683936 WAQFOCDXEPVALB-UHFFFAOYSA-N 316.426 3.289 10 10 DGCE CCOCc1cccc(NC(=O)C=Cc2ccc(O)c(O)c2)c1 2307986979 RQPPUYUAABGUFF-UHFFFAOYSA-N 313.353 3.286 10 10 DGCE Cc1ccc(CN2CCC3(CC(=O)C3)C2)c(O)c1Br 2352941081 MCAUCTZBQSYRSL-UHFFFAOYSA-N 324.218 3.018 10 10 DGCE CC[C@@H](c1cc(Br)ccc1O)N(C)CCCNC 124767602 UNEHSELZIBLTPA-ZDUSSCGKSA-N 315.255 3.147 10 10 DGCE C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)C1(C)CC1 151586824 GCBUKVCRZYFGCD-HNNXBMFYSA-N 302.462 3.174 10 10 DGCE CCNCc1ccc(N(C)CC(C)(C)O)c(C(F)(F)F)c1 163730040 LSLCRLHAPZXCSO-UHFFFAOYSA-N 304.356 3.022 10 10 DGCE CN(Cc1ccccc1O)C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F 175503986 FESYZYIQNNLPQR-KGLIPLIRSA-N 317.335 3.433 10 10 DGCE Cn1cc(-c2cc(COc3ccc(N4CCCC4)cc3)on2)cn1 184438064 BKJBVBHTBFDYFW-UHFFFAOYSA-N 324.384 3.254 10 10 DGCE CCCOc1ccc(CN(C)Cc2cccc(OC)n2)c(O)c1 188970832 HPZGRBOJXYUKCZ-UHFFFAOYSA-N 316.401 3.217 10 10 DGCE CCCOc1nc(C)ccc1C(=O)N(C)Cc1ccccc1O 189364401 OAYICBVTSQXKSN-UHFFFAOYSA-N 314.385 3.157 10 10 DGCE COC(=O)/C=C/c1ccc(N2CCC[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 301422156 NVZYBJBBGCQYDC-VOWYIILJSA-N 318.373 3.406 10 10 DGCE CN[C@@H](C)c1ccc(N(CCO)Cc2ccccc2)c(F)c1 381808325 GSDNDBXDNQWJSX-AWEZNQCLSA-N 302.393 3.105 10 10 DGCE COc1ccc(O)c([C@H](C)N(CC(=O)O)Cc2ccccc2)c1 692425199 FSVDBKUCKTYUQO-ZDUSSCGKSA-N 315.369 3.049 10 10 DGCE Oc1ccc(Br)cc1CNCC[C@H]1CC1(F)F 701938897 ZOWWRXOLPUOZML-VIFPVBQESA-N 306.150 3.290 10 10 DGCE Oc1c(Cl)cccc1CNCc1cc(Br)no1 718882183 QPCMTOHBUVLFMU-UHFFFAOYSA-N 317.570 3.086 10 10 DGCE C[C@@H](CNCc1cc(Br)ccc1O)c1ccncc1 749293315 CNEGWGKYUNTKQM-NSHDSACASA-N 321.218 3.443 10 10 DGCE Cn1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1 763284401 VDBGAUFNLZAKAY-ZROIWOOFSA-N 314.435 3.427 10 10 DGCE C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)Cc1cc(F)ccc1O 779035399 ZJAZMWONOHSJQV-SGTLLEGYSA-N 301.361 3.355 10 10 DGCE Cc1cccc(CC2CN(C(=O)c3ccc(C)c(O)c3O)C2)c1 780966073 WMGHAINSOXQXKE-UHFFFAOYSA-N 311.381 3.029 10 10 DGCE COc1cccc(CNC(=O)c2coc3cc(F)ccc23)c1O 793690732 XPGNFCSOPWXAJW-UHFFFAOYSA-N 315.300 3.216 10 10 DGCE CCOc1ccc(CNc2ccc(N3CCC3=O)cc2)c(O)c1 798502817 XCVOPVHRQMUJAC-UHFFFAOYSA-N 312.369 3.140 10 10 DGCE COc1cc(Cl)cc(CN[C@@H](c2ccccc2)[C@H](C)O)c1O 827856802 SAIALNOWIMLRSX-MEDUHNTESA-N 321.804 3.266 10 10 DGCE CC(C)[C@H](CC(F)(F)F)NC(=O)NCCc1ccc(N)cc1 841886132 YKWLRKIVPVYPQN-ZDUSSCGKSA-N 317.355 3.088 10 10 DGCE C[C@@H](NC[C@@H]1CN(C)C[C@H]1c1ccccc1)c1ccccc1O 842922002 ULWUNGSJXZFXSK-SUMDDJOVSA-N 310.441 3.388 10 10 DGCE C[C@H](O)[C@@H](NCc1cccc(Cl)c1O)c1ccccc1F 846017769 PVDXCXIJOOMNQU-ZUZCIYMTSA-N 309.768 3.396 10 10 DGCE CCc1ccccc1NC(=S)NCc1nccc(OC)c1F 849296671 KHDZQXAVDUBKED-UHFFFAOYSA-N 319.405 3.278 10 10 DGCE COc1ccc(N2CC[C@H](N[C@H](C)c3cccc(O)c3)C2)cc1 850488929 POUKXFWLKAFXAW-ZBFHGGJFSA-N 312.413 3.330 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)c3ccc(C)c(C)c3)C2)cc1 855234618 HESCLHZYKLJWCA-KRWDZBQOSA-N 324.424 3.321 10 10 DGCE CCCOc1cncc(NCc2cc([N+](=O)[O-])ccc2O)c1 858256503 QQVIUFDKNRJTHN-UHFFFAOYSA-N 303.318 3.096 10 10 DGCE CC[C@H](NCC(C)(C)C(=O)N1CCCC1)c1ccccc1O 858540627 KFAZMBNMXLZTCE-HNNXBMFYSA-N 304.434 3.082 10 10 DGCE C[C@H](N[C@H]1CO[C@H](C2CC2)C1)c1cc2c(cc1O)CCCC2 858547091 ISCXTLLYBCPSOG-MOFZMDFASA-N 301.430 3.489 10 10 DGCE Cc1ccc(C(=O)N[C@@H](C)CF)cc1-n1c(C)cc(C=O)c1C 861821240 YCEADCHOBMNTLA-LBPRGKRZSA-N 316.376 3.303 10 10 DGCE Cc1cc(O)c(CNCCCO[C@@H]2CCCCO2)c(Cl)c1 922230636 HFCQZETTYAZMNC-MRXNPFEDSA-N 313.825 3.377 10 10 DGCE Cc1cc(O)nc2cc(C(=O)N3Cc4cccc(O)c4C3)ccc12 1175039277 WKXYNLLGLMPVLJ-UHFFFAOYSA-N 320.348 3.110 10 10 DGCE COc1ccc(CN[C@@H](C)CNC(=O)[C@H]2CCC2(C)C)cc1C 1266963876 IQLKNRNJYOWFPH-GOEBONIOSA-N 318.461 3.034 10 10 DGCE C[C@H](NC(=O)c1ccc2[nH]cc(C=O)c2c1)c1ccccc1O 1302538459 RTRXTHVKHVPKRZ-NSHDSACASA-N 308.337 3.177 10 10 DGCE C[C@H](Cc1cccc(F)c1)N(C)C(=O)NCc1ccc(N)cc1 1337069963 DPZWFPMIUKZBHP-CYBMUJFWSA-N 315.392 3.181 10 10 DGCE CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccsc2)cc1F 1351361149 HYHLIBWSMMPQLT-UONOGXRCSA-N 318.417 3.373 10 10 DGCE C[C@H](NC(=O)Cc1cn(C)c2ccccc12)c1ccccc1O 1454822172 XTCMMEXWWBIOEM-ZDUSSCGKSA-N 308.381 3.304 10 10 DGCE Cc1c(C(=O)N[C@@H](C)c2ccccc2O)cnn1-c1ccccc1 1632250537 WCFOQADZPMDCPA-ZDUSSCGKSA-N 321.380 3.377 10 10 DGCE O=C(c1cc(Br)cs1)N1Cc2cccc(O)c2C1 1644088056 CZTMFHXWNYGXKT-UHFFFAOYSA-N 324.199 3.372 10 10 DGCE CCOc1ccc(N2CCN(C[C@@H](COC)C(C)C)CC2)cc1 1644993698 PQNWRCFIOWIAJT-KRWDZBQOSA-N 320.477 3.126 10 10 DGCE c1cc2c(cc1CN[C@@H](C1CCC1)[C@@H]1CCCO1)CCCO2 1662971226 VCDQTDFDLZPDJV-OALUTQOASA-N 301.430 3.449 10 10 DGCE CN(Cc1ccccc1O)c1nnc(C2CC2)n1CC1(C)CC1 1711095682 UUGZSTMYVDFORA-UHFFFAOYSA-N 312.417 3.298 10 10 DGCE O=[N+]([O-])c1ccc(N=c2[nH]c3c(F)cc(F)cc3s2)c(O)c1 1859858045 XJDWFKHUGNJSFO-UHFFFAOYSA-N 323.280 3.354 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](Oc2ccc(N)cc2)[C@@H]2CC[C@@H]21 1897337378 YAUSIFFGQAHKSW-PMPSAXMXSA-N 318.417 3.436 10 10 DGCE CN[C@@H](CCCCNC(=O)OC(C)(C)C)c1ccccc1O 1928466702 FKWAUVWSULODCT-AWEZNQCLSA-N 308.422 3.348 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](C[C@H](N)c2ccccc2O)C1 1928472805 UQWBQHWLRUWRJQ-OCCSQVGLSA-N 306.406 3.039 10 10 DGCE CN[C@H](c1ccccc1O)[C@](C)(NC(=O)OC(C)(C)C)C1CC1 1936969415 CDVXDJCTQQVDLN-CRAIPNDOSA-N 320.433 3.346 10 10 DGCE CC1(NC(=O)OC(C)(C)C)CCN(CCCCN=[N+]=[N-])CC1 1962288350 VICDZLVXANTLTP-UHFFFAOYSA-N 311.430 3.456 10 10 DGCE O=S(=O)(Nc1ccc(O)c(C(F)(F)F)c1)c1ccsc1 1970803123 VRFCVUNCNGQVGC-UHFFFAOYSA-N 323.317 3.273 10 10 DGCE Cc1cccc(O)c1CNCC(C)(C)CNC(=O)OC(C)(C)C 1976875628 MJTBXMNAXHCFRC-UHFFFAOYSA-N 322.449 3.341 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H](Nc2ccccc2N)[C@@H]2CCC[C@H]21 1977662774 OHZJAQMNHLKBTG-VBNZEHGJSA-N 317.433 3.469 10 10 DGCE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)c1ccc2c(c1)CCCN2C 1977935618 PWHBXGYMSPBUPB-WBMJQRKESA-N 320.433 3.016 10 10 DGCE C[C@H](N[C@@H](C)[C@@H]1CCN1C(=O)OC(C)(C)C)c1ccccc1O 1989690639 UZCOSUJPBAVRSP-YDHLFZDLSA-N 320.433 3.441 10 10 DGCE CN(C)c1ccc([C@H](O)Cc2cnn(Cc3ccccc3)c2)cc1 1999511269 CVRSLMYYTMLNTF-HXUWFJFHSA-N 321.424 3.274 10 10 DGCE Cc1sc(Br)nc1CN1CCC[C@H]1CN=[N+]=[N-] 2009447607 ZIIRSDRWUYUDFA-QMMMGPOBSA-N 316.228 3.489 10 10 DGCE C[Si]1(C)CCN(c2ccc(CO)c(Br)c2)CC1 2012640414 XFVIXOJBYVCKRM-UHFFFAOYSA-N 314.299 3.470 10 10 DGCE C[C@H](c1ccccc1O)N(C)c1nc(Br)ns1 2017507381 HQVDZCJJDSYLIM-SSDOTTSWSA-N 314.208 3.204 10 10 DGCE CO[C@@H](C)CCN(C)c1ccc([C@H](C)N)cc1Br 2059358342 CVFYRQJYWYMJND-QWRGUYRKSA-N 315.255 3.330 10 10 DGCE CCNC(=O)c1cc(C(C)C)nn1Cc1cccc(Cl)c1O 2070171632 GKDDMPQPXDYBFO-UHFFFAOYSA-N 321.808 3.164 10 10 DGCE CC[C@H]1CC[C@H](CNCc2cc(Br)ccc2O)O1 2081658198 SPJODNCBGIBDFQ-QWHCGFSZSA-N 314.223 3.202 10 10 DGCE C[C@@H](O)c1ccc(N(C)Cc2ccno2)c(Br)c1 2082488848 IDTVLVKYZXCAJG-SECBINFHSA-N 311.179 3.127 10 10 DGCE CNCc1ccc(N(C)C[C@]2(F)C[C@H]2C)c(Br)c1 2085441474 YFDDCZUTKSRQDY-QMTHXVAHSA-N 315.230 3.353 10 10 DGCE NCc1ccc(N2CCc3ccc(Br)cc3C2)cc1 2093507772 MJZGGNBUPQILLE-UHFFFAOYSA-N 317.230 3.471 10 10 DGCE Cc1nc(C(=O)c2cccc3c2NCC3)ccc1Br 2107702371 MAOSKINAYXKNTE-UHFFFAOYSA-N 317.186 3.352 10 10 DGCE CCCN[C@]1(CO)CCC[C@H](Sc2nccs2)[C@H]1C 2119183921 KKMVTEVDQGQCTA-DYEKYZERSA-N 300.493 3.155 10 10 DGCE CCNCc1ccc(N2CC[C@](F)(COC)C2)c(Cl)c1 2179804691 GQVXIFWUPAJPLW-OAHLLOKOSA-N 300.805 3.014 10 10 DGCE C[C@H](O)c1ccc(N(C)C[C@@]2(C)CSCCO2)cc1Cl 2201226174 GZPBYEVJSANWAE-NHYWBVRUSA-N 315.866 3.352 10 10 DGCE CNCc1ccc(N(C)C[C@]2(C)CSCCO2)cc1Cl 2201258424 XNZPKLAKSBFILX-OAHLLOKOSA-N 314.882 3.018 10 10 DGCE CCCn1ncc(Br)c1NCc1ccccc1O 2219609151 QBHQSSKGSYIFPX-UHFFFAOYSA-N 310.195 3.373 10 10 DGCE CNCc1ccc(N2CC[C@H]3C[C@]3(F)C2)c(Br)c1 2222695161 WALSSZDQBJPWGV-FZMZJTMJSA-N 313.214 3.107 10 10 DGCE CN(C)c1ccc([C@@H](O)c2nc(C(F)(F)F)cs2)cc1 2234854093 KUBOIIXROXDGSN-LLVKDONJSA-N 302.321 3.310 10 10 DGCE CC[C@H](C)NCc1cnc(SCC(C)(C)C(=O)OC)s1 2240294575 BECFSHQAWOODAT-JTQLQIEISA-N 316.492 3.323 10 10 DGCE COc1ccc([N+](=O)[O-])c(NCc2cnc(SC)s2)c1 2284510148 ZBTBCEAKTLKQNM-UHFFFAOYSA-N 311.388 3.394 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1C[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]12 2296892901 TZOVNHAIEUYQIC-JWZAGAIZSA-N 314.212 3.355 10 10 DGCE Cc1nc(CNCc2ccc(C)c(Br)c2O)co1 2327620887 HUAGOVIRUZUIAW-UHFFFAOYSA-N 311.179 3.049 10 10 DGCE COc1ccc(Br)cc1C(=O)Cc1ccc(N)cc1 2339218715 VWMXAHCDHFQDBZ-UHFFFAOYSA-N 320.186 3.465 10 10 DGCE Cc1ccc(CNC(=O)[C@@H]2CC[C@H]3C[C@H]32)c(O)c1Br 2352946042 FHGRMGAJMBEEEU-MVWJERBFSA-N 324.218 3.125 10 10 DGCE Cc1ccc(CNCc2ccc(C)c(Br)c2O)nc1 2352951063 BKHILWCEEACPDV-UHFFFAOYSA-N 321.218 3.456 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 2353916672 ZTQRYHLTHHBGFC-NOWRLKFISA-N 314.212 3.212 10 10 DGCE CN(CC[C@H](O)c1cccs1)c1ccc(CN)cc1Cl 2366234437 YDVRVJNJWIJYFV-AWEZNQCLSA-N 310.850 3.420 10 10 DGCE CN[C@@H](C)c1ccc(N2C[C@H](OC)C[C@@H]2CF)c(Cl)c1 2357026595 VKUPMISHLGLAET-CYZMBNFOSA-N 300.805 3.184 10 10 DGCE CNC(=O)Nc1ccc(NCc2cc(Cl)ccc2O)cc1 37135672 LADWTLWDLFGCAP-UHFFFAOYSA-N 305.765 3.409 10 10 DGCE CSCC[C@H](C)N(C)c1ccc(CN)c(Br)c1 228155879 FWHXCZBYSUZTCM-JTQLQIEISA-N 317.296 3.486 10 10 DGCE CC[C@H](NCCNC(=O)c1ccccc1)c1ccc(C)cc1O 279999597 FVGOGULCDLFEEZ-KRWDZBQOSA-N 312.413 3.171 10 10 DGCE CN(C(=O)c1ccnc2c1CC(=O)N2)c1ccc(C(C)(C)C)cc1 823151374 PLVUHCVPVQBCPT-UHFFFAOYSA-N 323.396 3.150 10 10 DGCE COCCN(CCF)Cc1cc(-c2ccccc2)ccc1O 827053997 KNOYBEGLWLZCKA-UHFFFAOYSA-N 303.377 3.477 10 10 DGCE O=C(NCc1ccc(O)cc1O)[C@H]1CC[C@H]1c1ccc(F)cc1 910954964 BNUJUJVBPPHHAU-HOTGVXAUSA-N 315.344 3.047 10 10 DGCE CCN(CC)c1ccc(CN2CC[C@@H](C)[C@H](C(=O)O)C2)cc1F 843039098 ATXYSPZSEVJODN-UKRRQHHQSA-N 322.424 3.215 10 10 DGCE CN(C)c1ccc(/C=C/CNc2ccc3c(c2)CNCCO3)cc1 841081925 HWMHXNWBPYVBKB-ONEGZZNKSA-N 323.440 3.360 10 10 DGCE C[C@]1(c2ccccc2)CCN(C(=O)NCCc2ccc(N)cc2)C1 841957184 GIICQIVMOJSACH-FQEVSTJZSA-N 323.440 3.185 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@@H]2C[C@H]3C[C@@H](OC)C[C@H]3C2)c1 845970642 AXKYLRKDEJWWDD-ZHMBSYLPSA-N 305.418 3.255 10 10 DGCE Cc1ccc(O)c(CN[C@@H](C)Cc2ccc(N(C)C)cc2C)n1 840975520 HVKJNHVMIAQCPU-HNNXBMFYSA-N 313.445 3.191 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)NCC[C@@H](N)C(C)C 851678035 MWPDDOMFGHYDFX-MRXNPFEDSA-N 321.465 3.077 10 10 DGCE O=C(NCC[C@H]1CC1(F)F)NCc1c(O)ccc2c1CCCC2 856883308 GVVSPVCFJHLKIA-LBPRGKRZSA-N 324.371 3.116 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)cc1 855020046 FDDOXVOLFODBCC-OLMNPRSZSA-N 316.445 3.026 10 10 DGCE Nc1ccc(C[C@H](O)Cc2cc(Br)cs2)cc1 696542865 IZUBFOWCKSAJFH-LBPRGKRZSA-N 312.232 3.239 10 10 DGCE COc1ccc(N2CC[C@H](CN[C@@H]3CCc4cccnc43)C2)cc1 886628081 FIBNZTCHZULXNW-DNVCBOLYSA-N 323.440 3.194 10 10 DGCE COC(=O)/C(=C\c1ccc(N2CCCCC2)cc1)c1ncccn1 798229908 ITQGGCOURQUWFS-VKAVYKQESA-N 323.396 3.181 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1C[C@H](COc2ccc(N)cc2)[C@H]2C[C@@H]21 1897329976 PLWSSTUVNGNQJM-BQDHKBFISA-N 318.417 3.197 10 10 DGCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H]2CC[C@@H]2C)c1 1157137999 VSVQOOXXTRQMOA-SGTLLEGYSA-N 310.397 3.435 10 10 DGCE C[C@@H](CC(=O)NCc1ccc2cccnc2c1O)n1cccc1 1162607079 HMTYXIWHNKLCLK-ZDUSSCGKSA-N 309.369 3.009 10 10 DGCE CC(C)(C)OC(=O)NC[C@@]1(C)CCN(CCCCN=[N+]=[N-])C1 1962298566 GSQOBMIREUSKMK-OAHLLOKOSA-N 311.430 3.314 10 10 DGCE CSc1cccc(C(=O)Nc2c(Cl)ccc3nonc23)n1 1525080500 DWZRCZSCHBSIGY-UHFFFAOYSA-N 320.761 3.245 10 10 DGCE CCSCc1ccc(C(=O)NCc2c(O)cccc2O)cc1 1472063016 BYZSWHZRKNIFCD-UHFFFAOYSA-N 317.410 3.281 10 10 DGCE C[C@H](NC(=O)[C@@H](C)n1cnc2ccccc21)c1ccccc1O 1642830276 CFHZBRUZTLJKRO-QWHCGFSZSA-N 309.369 3.180 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN(C(=O)c2coc(Br)c2)C1 1912144411 SNGGXBLEQVKEKT-QMMMGPOBSA-N 313.155 3.205 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)c1ccc(O)cc1F 164155041 LADAECRUZNDGMB-UHFFFAOYSA-N 315.344 3.046 10 10 DGCE COc1cccc(CNC(=O)c2[nH]c3ccc(C)cc3c2C)c1O 155411325 SWPDWAWMKCQPDB-UHFFFAOYSA-N 324.380 3.429 10 10 DGCE CC(C)(C)OC(=O)N1CCCN(/N=N/c2ccc(O)cc2)CC1 1860480338 HLLRQHVNPQSGNM-ISLYRVAYSA-N 320.393 3.334 10 10 DGCE CCCC1=NN(c2ccccn2)C(=O)/C1=C/c1cccc(O)c1 1865650031 RHFGMDBDYLUFHQ-NTCAYCPXSA-N 307.353 3.374 10 10 DGCE CCN[C@@H](c1ccccc1O)[C@H]1CCN1C(=O)OC(C)(C)C 1912876111 CJNCVPFOXTXJIG-HIFRSBDPSA-N 306.406 3.052 10 10 DGCE CC[C@@H](CNC(=O)OC(C)(C)C)NCc1cc(C)ccc1O 227723286 UGYLPKNDCMMOFE-AWEZNQCLSA-N 308.422 3.094 10 10 DGCE Cc1ccc(CNCc2sncc2Br)c(O)c1 1967800606 ZOCNUSWAAFQDMX-UHFFFAOYSA-N 313.220 3.209 10 10 DGCE CN[C@H](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1O 1936974764 LSIDWEUURCRXPA-UKRRQHHQSA-N 320.433 3.300 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H]([C@H](N)c2ccccc2O)CC1 1937299447 AFIITSBCVUEXBN-BBRMVZONSA-N 320.433 3.429 10 10 DGCE Cc1cccc(CNC(=O)c2cc(Br)oc2C)c1O 2139763618 ZYACPFAEZBEYTQ-UHFFFAOYSA-N 324.174 3.295 10 10 DGCE CC(C)(N)[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)C1 2139886499 CFNOWURDTSJTRK-SNVBAGLBSA-N 303.233 3.258 10 10 DGCE CC(C)(C)OC(=O)N1CCC(F)(F)[C@H]1c1cccc(N)c1O 1953067997 PLYFWNNVIUNFOR-GFCCVEGCSA-N 314.332 3.292 10 10 DGCE Cc1cccc(O)c1CNCc1ccn(Cc2ccccc2)n1 1976876677 CFKKSOXCBDTIJE-UHFFFAOYSA-N 307.397 3.235 10 10 DGCE Cc1cccc(O)c1CNCCc1cnn(Cc2ccccc2)c1 1997963469 MOWDMEWKFNCGSV-UHFFFAOYSA-N 321.424 3.278 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)CC(F)(F)C(F)(F)F)CC1 2155559053 ATZDFLOHNFXISP-ZETCQYMHSA-N 300.231 3.266 10 10 DGCE CC1(C)C[C@H](CNCc2cccc(Br)c2O)CO1 2041458185 ZHTRAUUWVDJCEJ-SNVBAGLBSA-N 314.223 3.059 10 10 DGCE Nc1ccc(N2CCN(Cc3ccsc3Cl)CC2)cc1 687978936 NWAONDLMCXHLHX-UHFFFAOYSA-N 307.850 3.306 10 10 DGCE C[C@](NCCN=[N+]=[N-])(C(=O)O)c1cc(Cl)cc(Cl)c1F 692342648 YEKPASDCTKUDPK-LLVKDONJSA-N 321.139 3.332 10 10 DGCE CCCS[C@H]1CCN(c2c(F)cc(CNC)cc2F)C1 383155216 HMLCQNCDCNUCGD-LBPRGKRZSA-N 300.418 3.406 10 10 DGCE CNC(=O)c1cc(C2CCC2)nn1[C@@H](C)c1ccc(C)cc1O 2070049928 IJBYIGHSYUPRLK-LBPRGKRZSA-N 313.401 3.134 10 10 DGCE CN[C@H](c1ccccc1O)c1cc(Br)ccc1OC 2090041026 WIGUVYQSGISDQR-OAHLLOKOSA-N 322.202 3.472 10 10 DGCE CSc1ncc(CNC(=O)c2cccc(Cl)c2O)s1 2277542311 YGSLSUDJUCZQQC-UHFFFAOYSA-N 314.819 3.154 10 10 DGCE C[C@H]1CCCCN1C1=NC(=O)C(=Cc2ccc(O)cc2)S1 2313518144 MVFWIZLYVFVKGD-NSHDSACASA-N 302.399 3.237 10 10 DGCE Cc1cc(C(=O)NC2(CO)CCCC2)c(C)n1-c1ccccc1 179173429 VLJFGJXWTGSXJZ-UHFFFAOYSA-N 312.413 3.129 10 10 DGCE COc1ccc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)c(O)c1 175985790 MNYVTTGRXBBEMM-UHFFFAOYSA-N 316.357 3.334 10 10 DGCE Cc1scc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1C 186423885 XSAAOQRSHRYFCY-SECBINFHSA-N 305.399 3.137 10 10 DGCE CCNCc1ccc(OC)c(C[S@](=O)CC2CCCC2)c1 84057904 YJCSHHCWPXYIOK-NRFANRHFSA-N 309.475 3.244 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)NCCc2ccc[nH]2)cc1 135912349 BZENNHSCHCURHO-UHFFFAOYSA-N 307.397 3.395 10 10 DGCE C[C@H](N[C@H]1CCNC12CCC2)c1cccc(C(F)(F)F)c1O 530214780 CTNPSOOFVSPQJI-GWCFXTLKSA-N 314.351 3.346 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1CCc2nc[nH]c2C1 377786532 VAPYVXXDKZUKEJ-SNVBAGLBSA-N 312.200 3.069 10 10 DGCE CCN(CC)c1ccc(CN2CCOC[C@@H]2CC(F)F)cc1 289646580 MOETUDILYZNJGQ-INIZCTEOSA-N 312.404 3.389 10 10 DGCE CN(C)c1ccc(CN[C@H]2CCCOC2)c(C(F)(F)F)c1 281028785 YIGQPQYLLFICFY-LBPRGKRZSA-N 302.340 3.040 10 10 DGCE CCOC(=O)c1cc(NCc2cc(Cl)cc(C)c2O)cn1C 809756909 VCGADBSDGBENOM-UHFFFAOYSA-N 322.792 3.481 10 10 DGCE Cc1cc(C(=O)N[C@@H]2CCCC2(F)F)c(C)n1-c1ccccn1 807853302 FLWJVZMRHFRDKX-CQSZACIVSA-N 319.355 3.407 10 10 DGCE CO[C@H]1C[C@@H](N(C)Cc2cc(C)cc(Br)c2O)C1 809692786 GWSBYUBMRUYELP-TXEJJXNPSA-N 314.223 3.072 10 10 DGCE CO[C@H](C)[C@@H](C)N[C@@H](C)c1cc(Br)ccc1O 290196498 OTKRFVYHYHAMON-KXUCPTDWSA-N 302.212 3.229 10 10 DGCE CO[C@@H]1CCCC[C@H]1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 816180107 FTDKIHATECDHLD-KBRIMQKVSA-N 304.434 3.135 10 10 DGCE Cc1cc(CN2C[C@H](C(F)(F)F)OC[C@@H]2C)ccc1N(C)C 815116357 KFYPVJSQTMTCSA-SWLSCSKDSA-N 316.367 3.213 10 10 DGCE CC[C@H](NC/C=C/c1ccc(N(C)C)cc1)[C@@H](O)C(F)(F)F 835042040 QJTPLVSVVJDIEX-ICWYTKJFSA-N 316.367 3.057 10 10 DGCE C[C@H](CC(C)(C)NC/C=C/c1ccc(N(C)C)cc1)C(=O)O 904019192 SARLFLIRTFCECO-PSKZRQQASA-N 304.434 3.245 10 10 DGCE CC(C)CN(CC(F)(F)F)C(=O)CSc1nccs1 917672615 UTJBYEJIGMEREB-UHFFFAOYSA-N 312.382 3.282 10 10 DGCE CCC(C)(C)NC(=O)CN(CC(C)C)c1ccc(OC)cc1 746171315 ZLMZTJATRZOCHN-UHFFFAOYSA-N 306.450 3.462 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(Cl)o1 915914352 RATDNEGUVDKBFD-UHFFFAOYSA-N 321.808 3.341 10 10 DGCE CCC(C)(C)N(C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 849417147 KMAJYAKMFRDTLH-AWEZNQCLSA-N 319.449 3.104 10 10 DGCE c1csc(SCCCN[C@@H](C2CCOCC2)C2CC2)n1 925104302 XINJQRUONHDMGE-CQSZACIVSA-N 312.504 3.420 10 10 DGCE C[C@@H](Nc1cccc([C@@H]2CNC(=O)C2)c1)c1ccc(F)cc1O 757619079 KJXQLDIWIPQJRV-YPMHNXCESA-N 314.360 3.308 10 10 DGCE COc1ccc(N(C)CCN(C)Cc2cncc(Cl)c2)cc1 856754878 OXRAHQHELKRQEV-UHFFFAOYSA-N 319.836 3.312 10 10 DGCE COC(=O)C1=CC[C@H](NCc2cc(-c3ccccc3)ccc2O)C1 862464529 ATOCPIUOYHIXJC-SFHVURJKSA-N 323.392 3.411 10 10 DGCE C[C@]1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CC1(F)F 898782468 JAVNHCHIPBVIMQ-CYBMUJFWSA-N 313.325 3.088 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1c1ccc(N)cc1 1959560688 NAHHFCKNPPTRAF-CYBMUJFWSA-N 305.422 3.105 10 10 DGCE c1ccc(COc2ccc(N3CCNCC4(CC4)C3)cc2)cc1 1899883057 DKMPLVMYWKRSSP-UHFFFAOYSA-N 308.425 3.455 10 10 DGCE O[C@@H]1CC[C@H]2CN(c3ccc(OCc4ccccc4)cc3)C[C@H]12 1899866863 RYOSBEJJXGUDDL-FFZOFVMBSA-N 309.409 3.473 10 10 DGCE C[C@H](NC(=O)c1cc(O)cs1)c1cc(F)ccc1N(C)C 1160046073 RKSTUKYMVUSPKB-VIFPVBQESA-N 308.378 3.150 10 10 DGCE C[C@@H](NC[C@@H](C)N(C)Cc1ccccc1)c1c(O)cccc1O 390547651 VUIZFDKNUUWAHU-HUUCEWRRSA-N 314.429 3.269 10 10 DGCE C[C@@H](NC1CC(OCc2ccccc2)C1)c1c(O)cccc1O 716293967 DAANVVOROKMNKH-IUDNXUCKSA-N 313.397 3.496 10 10 DGCE COc1cc(Cl)cc(CNc2cnn(C)c2Cl)c1O 694184841 ZFQCKPCYQNPABW-UHFFFAOYSA-N 302.161 3.053 10 10 DGCE COc1ccc2c(c1)C[C@@H](C(C)C)CN2C[C@H](O)C(F)(F)F 1473570044 NQTQHDUAIAGBNQ-DOMZBBRYSA-N 317.351 3.253 10 10 DGCE [N-]=[N+]=NC1CCN(C(=O)c2ccnc(Cl)c2Cl)CC1 2120743472 WCNNJBKMXYOOHV-UHFFFAOYSA-N 300.149 3.303 10 10 DGCE C[C@@H]1CC(=O)CC[C@@H]1C(=O)NCc1c(O)ccc2ccccc12 1635965316 VNASLQHOCCZDOT-DOMZBBRYSA-N 311.381 3.167 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2ccc3nccc(C)c3c2)c1 1640796420 DCAUYLVFWOWUDV-UHFFFAOYSA-N 306.365 3.487 10 10 DGCE O=C(NCc1cccc(Cl)c1O)[C@@H](F)Cc1ccccc1 1648606426 QLSIEWGDXCXDDY-AWEZNQCLSA-N 307.752 3.243 10 10 DGCE C[C@@H](C(=O)NCc1cc(Cl)ccc1O)c1cccc(O)c1 1640924475 NHVCFYDNGOBKFY-SNVBAGLBSA-N 305.761 3.171 10 10 DGCE CC(C)(CNC(=O)c1cc2cc(O)c(O)cc2s1)C1CC1 1652903696 ANOIVZFVWOVLFD-UHFFFAOYSA-N 305.399 3.479 10 10 DGCE CO[C@H]1CCN(c2ccc([C@@H](C)O)c(Br)c2)[C@H]1C 1914235125 AJWRBXMMGXUCMP-RBZYPMLTSA-N 314.223 3.116 10 10 DGCE CON(CCN[C@H](C)c1ccc(C)cc1O)C(=O)OC(C)(C)C 1936451964 GIHJJULWMVQQBH-CYBMUJFWSA-N 324.421 3.150 10 10 DGCE CC(C)(C)OC(=O)NC[C@H](C[C@H](N)c1ccccc1O)C1CC1 1936973567 HGKZUKBFMTVVFK-ZFWWWQNUSA-N 320.433 3.333 10 10 DGCE COc1ccc(CN[C@@H]2C[C@H]2CNC(=O)OC(C)(C)C)cc1C 1984414540 HBEXTWCQCBCGGH-LSDHHAIUSA-N 320.433 3.006 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1CN(c2ccc(N)cc2)C(C)(C)C1 1988156920 BKZNNSCMLXAXHJ-CYBMUJFWSA-N 319.449 3.398 10 10 DGCE O[C@@]1(c2ccc(N3CCCC3)cc2)CCN(Cc2ccccc2)C1 1999521053 HPESYQWUXWAWKS-NRFANRHFSA-N 322.452 3.380 10 10 DGCE CCN(c1ccc(N)cc1)S(=O)(=O)c1cccc(Cl)c1 63114516 FDEMSWFIFNWNNR-UHFFFAOYSA-N 310.806 3.137 10 10 DGCE CCCOC1CN(c2ccc([C@@H](C)O)cc2Br)C1 2040860263 PJWGFSDVDGHLAU-SNVBAGLBSA-N 314.223 3.118 10 10 DGCE C[C@H]1C[C@H](CCNCc2cccc(Br)c2O)CO1 2041470266 DFHMYZXXONHUPV-QWRGUYRKSA-N 314.223 3.059 10 10 DGCE C[C@@H]1COC[C@H]1N(C)[C@@H](C)c1cc(Br)ccc1O 688180507 VESBBBJLZROKRT-GBIKHYSHSA-N 314.223 3.182 10 10 DGCE C[C@H](c1c(O)cccc1F)n1nc(C2CCCC2)cc1CO 2070200377 SELVCVWYEZHSMJ-LLVKDONJSA-N 304.365 3.487 10 10 DGCE C[C@@H]1O[C@H](C)C[C@H]1CN(C)c1cc(Cl)c(CN)cc1F 2177382019 UUILVDIHQBSTGW-SCVCMEIPSA-N 300.805 3.188 10 10 DGCE CC(C)NCc1ccc(N2CCSCC(F)(F)C2)cc1 2193334246 NKNVNZDMMWJJFY-UHFFFAOYSA-N 300.418 3.373 10 10 DGCE NCc1ccc(N2[C@H]3CC[C@@H]2C[C@@H](F)C3)cc1Br 2072030580 ZADQEHUUZZXLFY-CNDDSTCGSA-N 313.214 3.377 10 10 DGCE Cc1ccc(Br)cc1[C@H](O)[C@@H](N)c1ccccc1O 2098636102 KFZFAYZGXZYFTI-GJZGRUSLSA-N 322.202 3.197 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)c2ccc(Br)nc2)CC1 2099341874 QIJAOXGKNNGYDM-SNVBAGLBSA-N 324.182 3.149 10 10 DGCE C[C@H](N)c1ccc(N2CCn3cccc3C2)c(Br)c1 2114529848 CUASUJLNFYBPLZ-NSHDSACASA-N 320.234 3.291 10 10 DGCE C[C@@]1(O)C[C@@H]2C[C@H]1C[C@H]2NCc1cc(Cl)cc(Cl)c1O 2355716053 RADPVPUGBZBTTD-KAKFMGRLSA-N 316.228 3.338 10 10 DGCE CCC1(CC)CN(C[C@@H]2CCCNC2)c2ccc(OC)cc2N1 75280905 YPAQEJYKTVRCBL-OAHLLOKOSA-N 317.477 3.486 10 10 DGCE COc1ccc(CN2CCc3c([nH]c4ccccc34)C2)c(O)c1 93759050 WIRLCSMKXXEUPP-UHFFFAOYSA-N 308.381 3.440 10 10 DGCE CC1=NN(c2ccccc2)C(=O)/C1=C1\C(=O)Nc2ccc(C)cc21 105761443 CKQOPAXPMUVTEU-MSUUIHNZSA-N 317.348 3.123 10 10 DGCE Cc1cncc(/C=C/C(=O)N2C[C@@H](C)C(=O)Nc3ccccc32)c1 130288794 ZVTOWBKICIJPDH-HSBSLETESA-N 321.380 3.025 10 10 DGCE C[C@@H](c1ccco1)N(C)Cc1ccc(N2CCOCC2)cc1 131074278 FLYXAYQAWKTGSU-HNNXBMFYSA-N 300.402 3.309 10 10 DGCE Cc1cc(Cl)cc(CNC[C@H](C)Cn2ccnc2C)c1O 182462513 WOJOKIGCVVVCPE-NSHDSACASA-N 307.825 3.285 10 10 DGCE Cc1ccc2c(c1)[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@H](C)C2 183167950 IPDPTYKAHJUYSC-SHLVJORMSA-N 323.392 3.469 10 10 DGCE CC(C)c1nc2n(n1)CCC[C@H]2N[C@H](C)c1ccccc1O 183552476 SEOUUKAFAYWZHW-TZMCWYRMSA-N 300.406 3.293 10 10 DGCE CCc1cnc(CCN[C@@H](C)c2cc(OC)ccc2O)s1 185583339 XERAVIIQQFULAE-NSHDSACASA-N 306.431 3.313 10 10 DGCE Cc1ccc(C)c(S(=O)(=O)Nc2cccc(N(C)C)c2)c1 243977227 SCOCTOKJYDFXSR-UHFFFAOYSA-N 304.415 3.170 10 10 DGCE CC[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(N)cc1 302909582 ROOOLIMZSVTFMX-OAHLLOKOSA-N 312.413 3.475 10 10 DGCE C[C@@H](CN[C@H](C)c1ccc(O)cc1O)N(C)C(=O)OC(C)(C)C 304317727 ROYXQPJXQMHWRQ-NWDGAFQWSA-N 324.421 3.004 10 10 DGCE COC[C@H](C)CN(C)[C@@H](C)c1cc(Br)ccc1O 381325510 HAXSJQCWSHNNGV-MNOVXSKESA-N 316.239 3.430 10 10 DGCE C[C@H](NC(=O)OC(C)(C)C)[C@H](C)N[C@@H]1CCc2cccc(O)c21 381799820 UDFFUBYBVZUDEW-SGMGOOAPSA-N 320.433 3.271 10 10 DGCE CN(C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(CN)cc1 382780343 RHMKAFWPOUYKJF-IBGZPJMESA-N 309.457 3.104 10 10 DGCE Oc1cccc(CNCCCCOCc2ccccc2)c1O 390574328 BXQGGLVYTILBFE-UHFFFAOYSA-N 301.386 3.184 10 10 DGCE Oc1cc(F)c(Cl)cc1CNC[C@H]1CCN1C1CCCC1 529669329 LTGRUMKDJKUIBM-CYBMUJFWSA-N 312.816 3.291 10 10 DGCE NCc1cc(F)c(N2C[C@@H]3CCCC[C@@H]32)cc1Br 706786741 YERMAVACFHAEMR-ZANVPECISA-N 313.214 3.426 10 10 DGCE CO[C@@H]1CC[C@@H]1N(C)c1ccc([C@@H](C)O)cc1Br 724149963 IELUDSJMKZLAPN-BIGNPOOSSA-N 314.223 3.116 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)Nc1ccc2nccn2c1 743170333 LPAVRHHQSDEXNG-UHFFFAOYSA-N 324.384 3.484 10 10 DGCE COc1ccc(N(C[C@H]2CC3(CC3)C(=O)O2)[C@H](C)C2CC2)cc1 763730421 RXCWKAKGLNVZKM-CXAGYDPISA-N 315.413 3.396 10 10 DGCE Cc1cncc(/C=C/C(=O)N2CCN(C3CC3)c3ccccc32)c1 778258066 FXLYYSHKBOIOJM-RMKNXTFCSA-N 319.408 3.419 10 10 DGCE CCN(CC)c1ccc(CNC(=O)N[C@H]2[C@H]3CCC[C@H]32)cc1 786998714 DZPGZOLKJJGWBZ-BJWYYQGGSA-N 301.434 3.131 10 10 DGCE CCN(CC)c1ccc(CN[C@@H]2CO[C@H](C3CC3)C2)cc1F 825261069 XDVQRWLPLYAKKC-YJBOKZPZSA-N 306.425 3.329 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCC[C@@H](c3ncc[nH]3)C2)cc1 835025807 NPLVQYMPIUPLEF-NJELEJDNSA-N 310.445 3.369 10 10 DGCE CC(C)CN1CCC(NC/C=C/c2ccc(N(C)C)cc2)CC1 835035163 GIIFSCHNOTVFDD-AATRIKPKSA-N 315.505 3.476 10 10 DGCE CN(C)c1ccc(/C=C\CNC[C@@H]2COC3(CCCC3)O2)cc1 835042533 JBCNCRGRUXASHS-OOFWQKGWSA-N 316.445 3.041 10 10 DGCE Cc1cccc(CN2CCC[C@@H]2COc2cccnc2C)c1O 841895371 DFHQZMFPODHCFD-QGZVFWFLSA-N 312.413 3.447 10 10 DGCE CCCN(CCC)c1ccc(CN2CC[C@@H](N)[C@@H](C)C2)cc1 843051707 KSAYTYBGHVUEKG-QFBILLFUSA-N 303.494 3.482 10 10 DGCE CCc1cccc(CN2C[C@H](C(F)(F)F)OC[C@H]2C)c1O 848910153 HJLYIEHNGQMZRY-ZWNOBZJWSA-N 303.324 3.106 10 10 DGCE COc1ccc(N2CCC(NC[C@]3(C)CC3(F)F)CC2)cc1 850379384 NHQRGTZTOQMEAW-INIZCTEOSA-N 310.388 3.299 10 10 DGCE C[C@@H]1CN(Cc2c(O)ccc3ccncc23)C[C@](C)(C(F)F)O1 853631458 WKNAWZDCUWSWLA-PIGZYNQJSA-N 322.355 3.185 10 10 DGCE O=C(NCc1cc(Br)ccc1O)[C@@H]1CCC[C@H]2C[C@H]21 854442934 ZJCJFIOQJKLGJK-ZWKOPEQDSA-N 324.218 3.207 10 10 DGCE CC/C(C)=C(/C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855224519 FQUCBFVSWFWNOG-SEWDUPMJSA-N 302.418 3.137 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)/C=C3\CC[C@@H](C)C3)C2)cc1 855233611 JAJPQWCZCVUXFT-OVRLFXSLSA-N 314.429 3.137 10 10 DGCE C[C@@H](O)c1ccc(N2CC=C(c3c[nH]c4ncccc34)CC2)nc1 865425567 RPYKRGQEESFOJJ-CYBMUJFWSA-N 320.396 3.305 10 10 DGCE CN(Cc1ccccc1O)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 929976233 MKYPESAXGKCUEG-JSGCOSHPSA-N 303.324 3.324 10 10 DGCE CCC/C(C)=C\C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 1134882833 VICJRMKBWVZKRP-XXTMNZORSA-N 317.477 3.218 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C1(CF)CCC1 1261496699 ZSNPBJFCHJIEOO-CQSZACIVSA-N 306.425 3.248 10 10 DGCE CN(C(=O)Cc1ccc(O)c(O)c1)[C@H]1CCCc2ccccc21 1290595312 WUINLJIBGZVYIP-INIZCTEOSA-N 311.381 3.176 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)c1ccc2[nH]ccc2n1 1465958697 RVCRWEFKNOKSDW-UHFFFAOYSA-N 321.380 3.077 10 10 DGCE O=C(CCCc1ccc(F)c(F)c1)NCc1c(O)cccc1O 1558534915 ZUMZHZMNQLULRX-UHFFFAOYSA-N 321.323 3.015 10 10 DGCE COc1ccc(N(C)CCN2CCc3ccccc32)c(OC)c1 1559666449 KQBBTTFEXNMFDA-UHFFFAOYSA-N 312.413 3.203 10 10 DGCE O=C(NCc1cccc(Cl)c1O)[C@H]1Cc2ccccc2S1 1606860624 OGDDXVZMDLHVRO-CQSZACIVSA-N 319.813 3.379 10 10 DGCE CCN(CC)c1ccc(CNC(=O)c2c(O)cccc2F)cc1 1625013785 DPFVUNLOYQYUEH-UHFFFAOYSA-N 316.376 3.308 10 10 DGCE O=C(CCc1cccc(O)c1)NCc1cc(Cl)ccc1O 1632227983 JJNVSXAEZNETRN-UHFFFAOYSA-N 305.761 3.000 10 10 DGCE C[C@@H](NC(=O)NCc1cccc2cc[nH]c12)c1ccccc1O 1671694464 SWCCJMYOCMNLLY-GFCCVEGCSA-N 309.369 3.434 10 10 DGCE CC[C@@H](C)[C@H](N)C(=O)Nc1ccc(Cc2ccc(N)cc2)cc1 1865949912 CTCPTCIIOHJGSH-ACJLOTCBSA-N 311.429 3.172 10 10 DGCE C[C@@H]1CSCCCN1c1ccc(CO)cc1Br 1940239383 XNGWKLQWHULZRU-SNVBAGLBSA-N 316.264 3.273 10 10 DGCE C[C@H]1CN(Cc2ccccc2)[C@@H](C)CN1CCc1ccc(N)cc1 1946783233 NQSWYDWJJPUAKH-ROUUACIJSA-N 323.484 3.406 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1CCOc1ccc(N)cc1 1952989894 AQBSIOSSKGSANK-STQMWFEESA-N 306.406 3.199 10 10 DGCE CN(CCCCN=[N+]=[N-])CCN(C)C(=O)OCc1ccccc1 1954207388 VNDXDBRIXHAVHG-UHFFFAOYSA-N 319.409 3.277 10 10 DGCE CN(C)c1ccc([C@@]2(O)CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 1977938172 HBDHPGFCQAVHFR-RDTXWAMCSA-N 320.433 3.017 10 10 DGCE CN(C[C@@H](N)c1ccc(N2CCCC2)cc1)C(=O)OC(C)(C)C 1977941062 JDUHOPKTLNUSNJ-MRXNPFEDSA-N 319.449 3.154 10 10 DGCE CCN[C@@H](C[C@H]1CCN1C(=O)OC(C)(C)C)c1ccccc1O 1979140107 KFCAOPCYRNVYEC-HIFRSBDPSA-N 320.433 3.442 10 10 DGCE CC(C)(C)OC(=O)N1C[C@]23CCC[C@@]2(CN(CCN=[N+]=[N-])C3)C1 1982241268 GWRVKHDAWLYRPH-HZPDHXFCSA-N 321.425 3.020 10 10 DGCE N[C@@H]1CCCc2cc(N3CC(OCc4ccccc4)C3)ccc21 1986600166 KQYPZQWWACFZRI-HXUWFJFHSA-N 308.425 3.428 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([C@@H](N)c2ccccc2O)C1(C)C 1989483328 LOENERGFZDOGNY-CFVMTHIKSA-N 320.433 3.331 10 10 DGCE C[C@@H]1CN(Cc2ccccc2)CC[C@@]1(O)c1ccc(N(C)C)cc1 1999505021 MTYBKCKZXXZSJA-UTKZUKDTSA-N 324.468 3.482 10 10 DGCE CC1(C)CSCCN1c1ccc(CO)cc1Br 2004162796 RINSWUVYDIANAY-UHFFFAOYSA-N 316.264 3.273 10 10 DGCE CN(c1cc(Br)c(CN)cc1F)[C@@H]1CC[C@@H]2C[C@@H]21 2046868091 WPSBSIVLCNKRJS-DFAYQTQMSA-N 313.214 3.282 10 10 DGCE C[C@H]1CC[C@@H](CNCc2c(O)cccc2Br)OC1 2053740288 JOWSYLSTGQUVDO-QWRGUYRKSA-N 314.223 3.059 10 10 DGCE CCO[C@@H](CNCc1ccc(Br)cc1O)C1CC1 2068145248 ZAYVGATZVUGHPE-AWEZNQCLSA-N 314.223 3.059 10 10 DGCE CCOC(=O)[C@H](NCCN=[N+]=[N-])c1cc(Cl)sc1C 2098175840 LJJRAQUVBWWLSG-SNVBAGLBSA-N 302.787 3.214 10 10 DGCE OCc1ccc(N2CC[C@H](n3cccc3)C2)cc1Br 2115191367 YYBMALJAFKYCHD-AWEZNQCLSA-N 321.218 3.194 10 10 DGCE COCCNCc1cnc(Sc2ccc(OC)cc2)s1 2155333721 CNOWHTJZKHJXRB-UHFFFAOYSA-N 310.444 3.039 10 10 DGCE CP(C)(=O)C1CCN(c2ccc(CN)c(F)c2F)CC1 2159335192 JBDUXCMJXCTLAW-UHFFFAOYSA-N 302.305 3.015 10 10 DGCE C[C@@H](N)c1cnc(Sc2ccc3c(c2)OCCCO3)s1 2159806822 BUFAZUXPJDQRJB-SECBINFHSA-N 308.428 3.475 10 10 DGCE CCN[C@@H](C)c1cnc(Sc2n[nH]c(C(C)(C)C)n2)s1 2159807803 QJHNBDPSIQPQCO-QMMMGPOBSA-N 311.480 3.380 10 10 DGCE CCNCc1cc(F)c(N(CC)[C@H]2CCSC2)c(F)c1 2170129267 FIXGZQKPOUPWQL-LBPRGKRZSA-N 300.418 3.406 10 10 DGCE OCc1ccc(N2CCO[C@H](c3cccs3)C2)c(Cl)c1 2171859013 KVARWDOAHMFSAK-AWEZNQCLSA-N 309.818 3.472 10 10 DGCE O=C(O)[C@]12CC[C@H]1CCN2Cc1cc(Cl)cc(Cl)c1O 2201102475 QSBDNLFMVNPWRN-XPTSAGLGSA-N 316.184 3.138 10 10 DGCE Cc1cc(Br)cnc1[C@@H](O)c1ccc(N(C)C)cc1 2269730894 JQWJSZVFALUAJI-HNNXBMFYSA-N 321.218 3.300 10 10 DGCE Cc1cc(C(F)(F)F)sc1[C@H](NN)c1ccccc1O 2295050062 ROBCTPNUOOLRQL-LLVKDONJSA-N 302.321 3.334 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)N1CCC[C@]2(CC=CCC2)C1 2307987072 ARYXHEQSLOZRDW-LJQANCHMSA-N 313.397 3.460 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 2307990529 VPJXWCYSMQCEDD-RBGFHDKUSA-N 313.397 3.052 10 10 DGCE CCN(CCN=[N+]=[N-])C(=O)c1cc(Br)ccc1F 2315987697 YANBTGPYLCPUKS-UHFFFAOYSA-N 315.146 3.361 10 10 DGCE Cc1ccc(CNc2cn(C)c(C)n2)c(O)c1Br 2327592771 YLINZLPHIOPVIU-UHFFFAOYSA-N 310.195 3.117 10 10 DGCE CCSc1cccc(C(=O)NCc2cccc(OC)c2O)c1 131480821 GLBLYELGEZZYLJ-UHFFFAOYSA-N 317.410 3.443 10 10 DGCE CCc1nc2n(n1)CCC[C@@H]2N[C@@H](CC)c1ccccc1O 156314795 LPFBPTBDZMYJOP-KBPBESRZSA-N 300.406 3.122 10 10 DGCE COc1ccc(CN2CCN(c3ccccc3C)CC2)c(O)c1 162447923 MKTZQXFUFVNWKK-UHFFFAOYSA-N 312.413 3.031 10 10 DGCE COc1cccc(CNC(=O)c2c(C)oc3ccccc23)c1O 184714897 YJKCPYQXSYCEMO-UHFFFAOYSA-N 311.337 3.385 10 10 DGCE CCCOc1ccc(CNc2ccc3oc(=O)[nH]c3c2)c(O)c1 191949145 FPEZBIFVXBBUBQ-UHFFFAOYSA-N 314.341 3.228 10 10 DGCE CCCCN(CC)c1ccc(CNCCOC)cc1OCC 212712605 FPOPAMVMZBJGPE-UHFFFAOYSA-N 308.466 3.448 10 10 DGCE CCN(C)c1ccc([C@@H](C)N[C@H]2CCCn3nc(C)nc32)cc1 246398074 LLPRDZWJTARCBV-DYVFJYSZSA-N 313.449 3.228 10 10 DGCE COc1ccc(N2CCN(C(=O)CC(C)C)CC2)cc1Cl 253452490 OYNNZZBEIODKAT-UHFFFAOYSA-N 310.825 3.043 10 10 DGCE C[C@H](N[C@H](C)c1cn[nH]c1)c1cc(Br)ccc1O 273353069 CEGHOFKGGTZVBZ-BDAKNGLRSA-N 310.195 3.290 10 10 DGCE CCCN(CCC)c1ccc(CNCc2n[nH]c(CC)n2)cc1 295927876 FKIDYHJXFFHSIH-UHFFFAOYSA-N 315.465 3.283 10 10 DGCE C[C@H](N[C@H](C)c1nnc2n1CCCCC2)c1ccc(F)cc1O 320572995 QUOKGWZOVNZGRC-NWDGAFQWSA-N 318.396 3.261 10 10 DGCE C/C(=C/c1ccc(Cl)cc1)C(=O)NCc1ccc(O)c(O)c1 588401140 KTWFIIUCIIVZQI-FLIBITNWSA-N 317.772 3.471 10 10 DGCE C[C@H](O)c1ccc(N2CCC[C@@H](F)C2)cc1Br 689390046 VLKMOKSKKQEHFS-VHSXEESVSA-N 302.187 3.441 10 10 DGCE C[C@@H](Nc1cnn(C)c1Br)c1ccc(F)cc1O 694163879 BAMUPFQGDJOHFA-SSDOTTSWSA-N 314.158 3.200 10 10 DGCE Oc1c(F)cc(F)cc1CNCc1coc(Br)c1 708497841 VNHWVSVFUBDVJS-UHFFFAOYSA-N 318.117 3.316 10 10 DGCE C[C@H](NC(=O)/C=C\C(C)(C)C)c1ccc(N2CCOCC2)cc1 733925511 LZTKLUXCNLOELI-KVPUOBJLSA-N 316.445 3.303 10 10 DGCE CN(C)c1ccc(CNc2ncnc3[nH]c(Cl)cc23)cc1 754670095 ICWLGCAEGCITKT-UHFFFAOYSA-N 301.781 3.289 10 10 DGCE O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CCCOCC1 784940538 ZHROWCDFGMXOIE-KRWDZBQOSA-N 316.445 3.110 10 10 DGCE COc1nn(C)cc1NCc1ccc(N2CCCCC2)cc1 788971080 CPWQIWKXWVWPTJ-UHFFFAOYSA-N 300.406 3.031 10 10 DGCE Cc1cccc(CN2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c1O 824636836 UHQMZMYDOUEEAK-HKUYNNGSSA-N 315.388 3.001 10 10 DGCE COc1ccc(N(C)Cc2cn(C3CCC3)nn2)cc1Cl 825469443 YCDSLDUBEGVHBK-UHFFFAOYSA-N 306.797 3.302 10 10 DGCE CN(Cc1ccccc1O)C(=O)NC[C@H]1CC2CCC1CC2 827454848 UORKYXVDWUINEO-ZBCRRDGASA-N 302.418 3.360 10 10 DGCE CC(=O)c1cc(F)cc(CN2CC3CC2(C(F)(F)F)C3)c1O 839200349 URFLUUBZOCDMDZ-UHFFFAOYSA-N 317.282 3.261 10 10 DGCE COC[C@H](CCN[C@H](C)c1ccc(Cl)c(Cl)c1O)OC 850485441 IDLZLUDAEYGXOY-ZJUUUORDSA-N 322.232 3.401 10 10 DGCE Cc1ccc([C@@H](C)NCc2c(C(F)(F)F)cnn2C)c(O)c1 858453715 YGZIRFXVZGJXEA-SNVBAGLBSA-N 313.323 3.304 10 10 DGCE CCOc1ccc(O)c(CNc2cccc(OC)c2OC)c1 886275474 ADELXXDJTGNXBO-UHFFFAOYSA-N 303.358 3.420 10 10 DGCE C[C@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CCS1 897563444 MJEGKQZIKUQXQP-VIFPVBQESA-N 323.439 3.280 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)CCNC(C)(C)C)cc1 1135946095 FNCXOVDEECCUKE-UHFFFAOYSA-N 319.493 3.269 10 10 DGCE O=C(NCc1c(O)cccc1O)C1(c2ccccc2)CCCC1 1178905692 QQVYNAMDVCEUTO-UHFFFAOYSA-N 311.381 3.226 10 10 DGCE CCOC(=O)C1=CC[C@H](N[C@H]2C[C@H](C)c3c(C)ccc(O)c32)C1 1261790749 UEPALRBXGMRBHA-QEJZJMRPSA-N 315.413 3.490 10 10 DGCE C/C(=C/c1cccnc1)C(=O)N1C[C@@H](C)Oc2c(F)cccc21 1269475777 XHAZAYXQUHQGLU-KIWPFMIBSA-N 312.344 3.438 10 10 DGCE CN(C)c1ccc(CNC(=O)c2cnc(CC3CC3)s2)cc1 1352214803 FZIRWOIMMBPYTH-UHFFFAOYSA-N 315.442 3.092 10 10 DGCE CC[C@@H](C)n1nccc1C(=O)NCc1ccc2cccnc2c1O 1352303141 BWSQQJPYIIMROF-GFCCVEGCSA-N 324.384 3.038 10 10 DGCE COc1ccc2[nH]c(NC(=O)c3ccc(C)c(O)c3O)cc2c1 1447646191 XLLKKBXLCNDLKU-UHFFFAOYSA-N 312.325 3.148 10 10 DGCE CCOCCNC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C 1543050364 ZPFQCCDSOJYGRY-UHFFFAOYSA-N 314.429 3.477 10 10 DGCE COC(=O)c1cnc(Sc2ncnc3ccc(F)cc23)s1 1559198395 ODLIMTVQIRXUHI-UHFFFAOYSA-N 321.358 3.163 10 10 DGCE Cc1cc(CNC(=O)[C@@]2(C)CCCO2)c(C)n1-c1ccccc1 1587886152 ITSZEZYPOMTUOE-LJQANCHMSA-N 312.413 3.279 10 10 DGCE Cc1ccc(C(=O)N[C@@H]2CCCc3ccccc3C2)c(O)c1O 1639850833 ZEPDZYZATYWWGR-OAHLLOKOSA-N 311.381 3.084 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(O)cc1Cl 1645312286 CQOKKFAQWGRDMU-QHHAFSJGSA-N 305.717 3.109 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1cccc2c1OCO2 1647789061 ZSGHQVAQDMVFJT-UHFFFAOYSA-N 321.332 3.204 10 10 DGCE Oc1cccc(O)c1CNc1cc(Cl)nc([C@@H]2CCCO2)n1 1652267325 NRRVMNHCXCOGTD-LBPRGKRZSA-N 321.764 3.005 10 10 DGCE C/C=C(/C)C(=O)NCC1(NCc2ccc(OC)c(C)c2)CCC1 1673156062 NHGHRBXCYRCYJA-RZNTYIFUSA-N 316.445 3.098 10 10 DGCE [N-]=[N+]=NCCC[S@@](=O)Cc1ccccc1Br 1902037703 VUWSKRMCROVESN-MRXNPFEDSA-N 302.197 3.398 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1[C@H](N)c1ccccc1O 1939907577 DKCDSSQKOBAIDY-YXAMBPQSSA-N 318.417 3.038 10 10 DGCE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](Nc2ccccc2N)C1 1959367754 QERWAJOWQGVCJO-QWHCGFSZSA-N 305.422 3.374 10 10 DGCE CC(C)(C)OC(=O)NC[C@](C)(Nc1ccc(N)cc1)C1CC1 1959377600 QFDXMQNKQCJXFO-KRWDZBQOSA-N 305.422 3.374 10 10 DGCE COc1cccc(O)c1CNCCCCOCc1ccccc1 1976859832 ZLELEOJSHXRCOD-UHFFFAOYSA-N 315.413 3.487 10 10 DGCE Cc1c(NC(=O)OC(C)(C)C)cccc1C(=O)NCCN=[N+]=[N-] 1985102860 MXYPJKNAEPKNBX-UHFFFAOYSA-N 319.365 3.382 10 10 DGCE C[C@H]1CCN(c2ccc(CN)c(Br)c2F)C[C@@H]1F 2034816982 WKESALIPBALXBE-WPRPVWTQSA-N 319.193 3.231 10 10 DGCE CNCc1ccc(N(C)[C@H]2CCC[C@H]2F)c(Br)c1 2055372870 KUQXGVRIIJNRHS-OCCSQVGLSA-N 315.230 3.495 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN(S(=O)(=O)C2CCCCCC2)C1 2161423918 WAYMXMCXZUBQRB-LBPRGKRZSA-N 300.428 3.061 10 10 DGCE C[C@@H](N)c1ccc(N2CCS[C@H]3COCC[C@H]32)c(Cl)c1 2170487707 SCLHNDVWFUFKTP-KMUNFCNLSA-N 312.866 3.070 10 10 DGCE COc1ccc(N2CCCN(Cc3ccccc3)CC2)c(C=O)c1 2214861583 DTPKZTALKHKPAU-UHFFFAOYSA-N 324.424 3.220 10 10 DGCE Cc1cc(O)c([C@H](C)N2CCO[C@@H](CCF)C2)cc1Cl 2286444397 OHMJKIXKCGYIIS-RYUDHWBXSA-N 301.789 3.475 10 10 DGCE CC(=Cc1ccc(Cl)cc1)C(=O)NCc1ccc(O)c(O)c1 2307787318 KTWFIIUCIIVZQI-UHFFFAOYSA-N 317.772 3.471 10 10 DGCE CCCOc1c(C=C2C(=O)N(C)N=C2CC)cccc1OC 2332118437 LDMFMNOMKABVKL-UHFFFAOYSA-N 302.374 3.105 10 10 DGCE CCCN[C@H](C)c1cnc(SCCOCCOCC)s1 2365624426 ZCIRULWMADXKKO-GFCCVEGCSA-N 318.508 3.349 10 10 DGCE CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/N(C)c1ccc(O)cc1 101350531 MENRRTDKNRWGMP-LDADJPATSA-N 321.380 3.443 10 10 DGCE Cc1cccc(CNC(=O)c2c(C)oc(-n3cccc3)c2C#N)c1 26021543 YBGDAYDCDSWWJO-UHFFFAOYSA-N 319.364 3.489 10 10 DGCE C[C@@H](CN(C)Cc1ccccc1)N[C@@H](C)c1c(O)cccc1O 309932201 ZOKBZKXSUOWYOG-GJZGRUSLSA-N 314.429 3.269 10 10 DGCE CN(Cc1cc(OC(F)(F)F)ccc1O)CP(C)(C)=O 2361023158 UZYSTRUPKYQPJC-UHFFFAOYSA-N 311.240 3.303 10 10 DGCE Nc1ccc(N[C@@H]2CC[C@H]2NC(=O)OCc2ccccc2)cc1 1954645112 XMBCVZDUSBTSQM-IAGOWNOFSA-N 311.385 3.138 10 10 DGCE CCOC(=O)C[C@H](C)N(C)Cc1c(O)ccc2ccccc12 183184358 LRZUTVAKOUVQOP-ZDUSSCGKSA-N 301.386 3.319 10 10 DGCE COC(=O)Cc1nc2ccccn2c1/N=N\c1ccc(O)cc1C 71580868 XDVGPVLEEJOGTB-VXPUYCOJSA-N 324.340 3.479 10 10 DGCE O=C1N=C(Nc2ccc(O)cc2)S/C1=C/c1ccccc1O 210383968 JCRFTVOPJDDINV-NTEUORMPSA-N 312.350 3.180 10 10 DGCE O=C1NC(=S)S/C1=C/c1ccccc1OCC(F)(F)F 132416373 AZWZIICSGMHSRB-WEVVVXLNSA-N 319.329 3.117 10 10 DGCE CN1CCc2cc([C@@H]3NC(=O)c4ccc(Cl)cc4N3)ccc21 130179142 NTWGNWCZKCYXBE-INIZCTEOSA-N 313.788 3.186 10 10 DGCE OC[C@H]1CCC[C@@H]1CNCc1cc(Cl)cc(Cl)c1O 89494891 GTQWOTWAGUSFTI-NXEZZACHSA-N 304.217 3.197 10 10 DGCE COc1ccc(N2CCC(NCc3ccccc3O)CC2)cc1 237262734 PEJSGCHCHCOVGG-UHFFFAOYSA-N 312.413 3.159 10 10 DGCE [N-]=[N+]=NCCCN[C@H](C(=O)O)c1ccc(Cl)c(Cl)c1 90258999 WZWNFMCMFYEKEZ-JTQLQIEISA-N 303.149 3.409 10 10 DGCE COc1ccc(O)c(CN2CCC[C@H]2C[C@@H](O)c2ccco2)c1 245872249 RWRJCFTWODZKIQ-WMLDXEAASA-N 317.385 3.082 10 10 DGCE CCOc1ccc(O)c(CN2CCC3(CC(OCC)C3)C2)c1 289266566 FZUMWYFJSRFFMV-UHFFFAOYSA-N 305.418 3.182 10 10 DGCE C[C@H](N[C@@H]1CNCC[C@H]1C)c1ccc(Cl)c(Cl)c1O 817968766 MBVRPDBONKOVEK-VDDIYKPWSA-N 303.233 3.348 10 10 DGCE CCN(CC)c1ccc(CNCCN2CCCC[C@@H]2C)cc1 727643707 HEXBYSIXKFKGKT-KRWDZBQOSA-N 303.494 3.497 10 10 DGCE C[C@@H]1CN(Cc2ccc(Br)cc2O)[C@H](C)[C@@H](C)O1 825634621 PAXHMMUAVVHZFN-GMTAPVOTSA-N 314.223 3.152 10 10 DGCE COc1ccc2c(c1)CCN2Cc1c(C(F)(F)F)cnn1C 824473566 CSRMNVHWPIFGAB-UHFFFAOYSA-N 311.307 3.010 10 10 DGCE Cc1cc(CN[C@@H]2COCC2(C)C)ccc1N1CCCCC1 832175354 VAKDWSJLOGVQGU-GOSISDBHSA-N 302.462 3.500 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)N[C@H]1CCCC1(F)F 845197920 RYDPRPFMILVRMV-NSHDSACASA-N 304.724 3.033 10 10 DGCE Cc1cc(O)c(CN2CCC[C@H](n3ccnc3)C2)c(Cl)c1 840914221 RKXJSVVDMJONLN-ZDUSSCGKSA-N 305.809 3.388 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCCCCF 840377827 KCDJYIPJRWLHHP-AWEZNQCLSA-N 309.429 3.041 10 10 DGCE Cc1nc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)c(C)o1 851841149 NKRVWBNBKBJCAR-INIZCTEOSA-N 316.401 3.178 10 10 DGCE CC/C=C(\F)C(=O)NCc1cc(Br)ccc1O 868307265 VUVASZRUHFRHCS-KMKOMSMNSA-N 302.143 3.034 10 10 DGCE Oc1cc(Br)ccc1Cn1cnc2c1CCCC2 862432045 PLERHTNDIRSNTJ-UHFFFAOYSA-N 307.191 3.278 10 10 DGCE Cc1cc(N[C@H](C)c2cc(F)ccc2O)cc(OCCO)c1 774509327 OIDVIHBCRJXJFS-GFCCVEGCSA-N 305.349 3.384 10 10 DGCE COc1cc(C)cc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1C 787662928 ZYIQGTALEQXSNS-ALCCZGGFSA-N 313.353 3.375 10 10 DGCE CC[C@H](C)[C@H](O)CNC(=O)c1sccc1-n1c(C)ccc1C 1137355933 TXHSLEMSWXLWLA-XHDPSFHLSA-N 320.458 3.292 10 10 DGCE C[C@H](C(=O)NCc1ccc(O)cc1O)c1ccc(Cl)s1 1142533118 DGOQQVQHNOHWQW-QMMMGPOBSA-N 311.790 3.233 10 10 DGCE CO[C@@H]1CC[C@@H](C)N(Cc2c(O)cccc2Br)C1 687210032 WTSKJHFPFMANNL-GHMZBOCLSA-N 314.223 3.154 10 10 DGCE Cc1ccoc1CNCc1cc(Br)cc(F)c1O 715798494 SZWCNOWMGAVGCY-UHFFFAOYSA-N 314.154 3.485 10 10 DGCE CCOC(=O)C1=CC[C@H](N[C@@H]2C[C@H](C)c3c(C)ccc(O)c32)C1 1261790748 UEPALRBXGMRBHA-AEGPPILISA-N 315.413 3.490 10 10 DGCE Cc1cccc(C(=O)C(=O)Nc2c(Cl)ccc3nonc23)c1 1436139350 WWLMSBJOBVSYOF-UHFFFAOYSA-N 315.716 3.006 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)NCc2ccc3c(c2)CCC3)cc1 1290982680 ZOWMJJLVFSHOOI-UHFFFAOYSA-N 322.368 3.268 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N1Cc2ccccc2C2(CCC2)C1 1623791042 RCHFJIQFMLORII-UHFFFAOYSA-N 323.392 3.104 10 10 DGCE O=C(CCn1ccc2ccccc21)N1Cc2cccc(O)c2C1 1558034517 FKBBSOYYPHXOKN-UHFFFAOYSA-N 306.365 3.279 10 10 DGCE COc1ccc(CNCCC[C@@H](C)NC(=O)[C@@H]2C[C@H]2C)cc1C 1725398444 NMPWIFPNWZLOSF-FRFSOERESA-N 318.461 3.034 10 10 DGCE C[C@@H](Cn1ccc2ccccc21)C(=O)NCc1ccc(O)cc1O 1639444418 KZTVLBBPAMBTTG-ZDUSSCGKSA-N 324.380 3.005 10 10 DGCE Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)c1ccccc1O 1635804007 MZKPDVKCOYNLMF-LBPRGKRZSA-N 314.341 3.408 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)N1Cc2cncnc2C1 1637722040 XUIIDRGRMJKISK-UHFFFAOYSA-N 324.409 3.102 10 10 DGCE COc1cccc(N/C=C2\C(=O)N(c3ccccc3)N=C2C)c1 13648545 FXCMWXLFSZRSNT-ATVHPVEESA-N 307.353 3.414 10 10 DGCE COc1ccc(CN(C)Cc2ccc(N(C)C)cc2)c(O)c1 155186087 UDRMBPBPQNPJOE-UHFFFAOYSA-N 300.402 3.099 10 10 DGCE Nc1ccc(NC(=O)C2=NO[C@@H](c3ccc(Cl)cc3)C2)cc1 586035587 LOZPLQRRXGEQFQ-OAHLLOKOSA-N 315.760 3.378 10 10 DGCE NCc1ccc(N(Cc2ccccc2)C2COC2)c(Cl)c1 1915657143 RBEQUZQTPFHMIJ-UHFFFAOYSA-N 302.805 3.204 10 10 DGCE CC[C@@](C)(CNC(=O)OC(C)(C)C)[C@@H](N)c1ccccc1O 1928481443 WKLPVAWGRAQIPD-YOEHRIQHSA-N 308.422 3.333 10 10 DGCE Cc1cccc(N)c1N[C@@H]1CCOC[C@@H]1OCc1ccccc1 1937206944 MHOAMIYRBAFXJH-MSOLQXFVSA-N 312.413 3.363 10 10 DGCE CC(C)(C)OC(=O)N[C@@]1(c2cccc(N)c2O)CC=CCC1 1953058000 GPKNVQMFEQWCAY-KRWDZBQOSA-N 304.390 3.435 10 10 DGCE Oc1ccc(Cl)cc1CN[C@@H]([C@@H]1CCOC1)C(F)(F)F 2143639128 RFSWTPXCSLAGNW-PELKAZGASA-N 309.715 3.103 10 10 DGCE COc1cc(Cl)cc(CNC2CC(CSC)C2)c1O 1974333977 DNGSTQYRNCPTPB-UHFFFAOYSA-N 301.839 3.285 10 10 DGCE C[C@@H](c1ccccc1O)N(C)CC(=O)N(C)Cc1ccccc1 1989687351 KIWZXQQETRUOCQ-HNNXBMFYSA-N 312.413 3.044 10 10 DGCE Oc1cc(Br)ccc1CNC[C@@H]1C[C@@H]1C(F)F 1997383776 RFIMGAQCBMYBJW-WPRPVWTQSA-N 306.150 3.146 10 10 DGCE Oc1c(Br)cccc1CNC[C@H]1C[C@H]1C(F)F 1997383365 MXMWSNSPHPWLRQ-RKDXNWHRSA-N 306.150 3.146 10 10 DGCE C[C@H]1[C@@H](C)[C@@H]1CNCc1cc(Br)cc(F)c1O 1998463678 GTHDFMYZEPYAFU-VROVMSAKSA-N 302.187 3.285 10 10 DGCE COCCNCc1cnc(SCc2cccc(C)c2)s1 2155334010 HGOIDCYESKSIAS-UHFFFAOYSA-N 308.472 3.480 10 10 DGCE OCc1ccc(N2CC([C@H]3CC3(F)F)C2)cc1Br 2036010996 UZNVBXGQPWXOHE-LLVKDONJSA-N 318.161 3.033 10 10 DGCE COc1ccccc1NC=C1C(=O)N(c2ccccc2)N=C1C 2053466694 GRYZFJGULDNDRN-UHFFFAOYSA-N 307.353 3.414 10 10 DGCE COc1cc(CCCO)cc2cc(-c3ccc(O)c(O)c3)oc12 2060439851 BENMKWHZWWMMKS-UHFFFAOYSA-N 314.337 3.445 10 10 DGCE CC(C)NC1(C(=O)O)CCC(CSc2nccs2)CC1 2167762104 QVTLLVHPWKMICE-UHFFFAOYSA-N 314.476 3.247 10 10 DGCE Cc1cccc(O)c1Cn1nc(C2CC2)c(CN)c1C(F)F 2078992751 SJVBSUATDMLURI-UHFFFAOYSA-N 307.344 3.219 10 10 DGCE Oc1cccc(Br)c1CN1C[C@H]2C[C@H]1C(F)(F)C2 1140100550 TULNMVPYAMSIGP-UFBFGSQYSA-N 318.161 3.384 10 10 DGCE C[C@H](O)c1ccc(N2CCS[C@@H]3COCC[C@@H]32)c(Cl)c1 2170501661 COVFWUQSTJXUJE-NZVBXONLSA-N 313.850 3.104 10 10 DGCE CCCN[C@H](c1ccccc1O)[C@H](O)c1nc(Cl)cs1 2196958643 REFHOLXWAJHOHX-OLZOCXBDSA-N 312.822 3.276 10 10 DGCE C[C@H](N[C@@H]1CS[C@H](C(F)(F)F)C1)c1cc(O)ccc1O 2189223170 POJXFTMVZRRYLW-UBJUHAIHSA-N 307.337 3.185 10 10 DGCE N[C@@H]1CCc2cc(N3CCS[C@@H](C(F)(F)F)C3)ccc21 2184725435 DQJROCUVPLNETA-CHWSQXEVSA-N 302.365 3.117 10 10 DGCE C[C@H]1[C@H](C)[C@H](Nc2c(N)cccc2Br)CCN1C 2073372101 LUWQNXRIBOORDG-OUJBWJOFSA-N 312.255 3.172 10 10 DGCE CC[C@@H]1CC[C@H](CNCc2c(O)cccc2Br)O1 2081665554 DDXISPVFCKGIFQ-GHMZBOCLSA-N 314.223 3.202 10 10 DGCE Cc1c(Br)cccc1CNCc1ccc(O)cc1O 2087356622 BXGNOWIXBYVZET-UHFFFAOYSA-N 322.202 3.459 10 10 DGCE CNCc1ccc(OCc2ccncc2Br)c(C)c1 2098797119 WGIYZJTXSQYILB-UHFFFAOYSA-N 321.218 3.451 10 10 DGCE [N-]=[N+]=NC1CCN(Cc2ncsc2Br)CC1 2210634456 TUVLLHWRSFGRFQ-UHFFFAOYSA-N 302.201 3.180 10 10 DGCE CCN[C@](CSc1nccs1)(CC(C)C)C(=O)OCC 2207916446 NRSDPZCGSFUQHL-AWEZNQCLSA-N 316.492 3.193 10 10 DGCE CN(c1cc(Cl)c(CN)cc1F)[C@@H]1CC[C@H]2[C@@H]1C2(F)F 2238687590 BAUPJERMNLPHAW-KDDOJWQBSA-N 304.743 3.418 10 10 DGCE CN(C(=O)C=Cc1cncc(F)c1)c1cccc2ncccc12 2304675149 IPKZWLANXVZOBK-UHFFFAOYSA-N 307.328 3.445 10 10 DGCE CN(C(=O)C=Cc1ccc(O)c(O)c1)[C@@H]1CCc2ccccc21 2307982210 SWQHMXLBPLIHMO-MRXNPFEDSA-N 309.365 3.257 10 10 DGCE CC(=O)c1ccc2c(c1)CCN2N=Nc1ccc(C(N)=O)cc1 2330154797 NAQPZXHNLUBJLU-UHFFFAOYSA-N 308.341 3.050 10 10 DGCE COc1cc(NCc2ccc(C)c(Br)c2O)ccn1 2352931800 DFKJTMLETDAVNZ-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE CCOC1CCN(c2ccc(CN)c(C(F)(F)F)c2)CC1 40678277 PKRRQDLQMAXOHA-UHFFFAOYSA-N 302.340 3.169 10 10 DGCE CCN(C[C@@H]1CCCO1)c1ccc(CN)c(C(F)(F)F)c1 48952375 LNVGZHFOKRBQMO-ZDUSSCGKSA-N 302.340 3.169 10 10 DGCE CCOC(=O)C(=O)[C@H](/N=N/c1ccccc1)C(=O)c1ccccc1 100039400 NJSWQKBUHFAWBX-FZFLATATSA-N 324.336 3.154 10 10 DGCE CSc1ccc(OCCC(=O)Nc2ccc(N)cc2)cc1 110981413 NBPRFYXJXGAMJY-UHFFFAOYSA-N 302.399 3.398 10 10 DGCE COC1CCN([C@H](C)c2cc(Br)ccc2O)CC1 132143661 CFTNIWRDQOAMRW-SNVBAGLBSA-N 314.223 3.327 10 10 DGCE COCCNCc1ccc(N2CCS[C@@H](C)C2)c(Cl)c1 137247255 YKHUEKZTWDYNMC-LBPRGKRZSA-N 314.882 3.018 10 10 DGCE CCN(Cc1ccc(N)cc1)c1ccncc1Br 163966222 RDTSTESSKUFKIS-UHFFFAOYSA-N 306.207 3.453 10 10 DGCE COc1cccc(CNC(=O)N[C@@H]2CC[C@H](C)C[C@@H]2C)c1O 246357857 PQQAQMGJMLASFU-SGMGOOAPSA-N 306.406 3.025 10 10 DGCE C[C@H](N)c1ccc(N2CC[C@@]3(O)CCCC[C@H]3C2)cc1Cl 251532570 MYPCNZHBZWTIRW-DCGLDWPTSA-N 308.853 3.491 10 10 DGCE Cc1cc(Cl)cc(CNC[C@@](C)(O)c2ccsc2)c1O 271800107 ISDFHKOLNKILAJ-OAHLLOKOSA-N 311.834 3.413 10 10 DGCE Cc1nc(C)c(Br)c(N(C)Cc2ccc(N)cc2)n1 323193844 NHJXRENSCIUPKW-UHFFFAOYSA-N 321.222 3.075 10 10 DGCE O=C(/C=C/c1cncc(F)c1)N1CCc2c(F)ccc(F)c21 492855570 UCVOIWFHBKQJPG-DAFODLJHSA-N 304.271 3.101 10 10 DGCE CN(c1ccc(CO)cc1Br)[C@H]1CCCSC1 689587298 IBNSSIDUFLGWBO-NSHDSACASA-N 316.264 3.273 10 10 DGCE CCCNC[C@@H]1CCN1c1ccc(OC)c(Br)c1 696377672 QKDDAJWCGCAYQQ-LBPRGKRZSA-N 313.239 3.036 10 10 DGCE CCNCc1ccc(N(C)Cc2nnc(C)s2)c(Cl)c1 697831385 WUUSYIUSLNDQEY-UHFFFAOYSA-N 310.854 3.246 10 10 DGCE OCc1ccc(N2CC[C@H](C(F)F)C2)c(Br)c1 706377181 MZWKMLHTCDSIMI-VIFPVBQESA-N 306.150 3.033 10 10 DGCE Cc1nn(C)c(C)c1NCc1c(O)cccc1Br 706804580 KMNRGVDMLOWNCK-UHFFFAOYSA-N 310.195 3.117 10 10 DGCE CC(C)C[C@@H](O)[C@H](N)c1ccc(OCc2ccccc2)cc1O 709992903 KCSRGPYBCASJAT-RTBURBONSA-N 315.413 3.378 10 10 DGCE CC[C@H](C)[C@H](N)[C@H](N)c1ccc(OCc2ccccc2)cc1O 713767481 LDVJHXRPZKOFER-FASAQXTFSA-N 314.429 3.344 10 10 DGCE C[C@H]1C[C@H](N(C)Cc2ccc(Br)cc2O)CCO1 721482188 RELRVZSIKSYTOL-GXFFZTMASA-N 314.223 3.154 10 10 DGCE Cc1ccc(F)c(C(=O)Nc2cccc(N3CCOCC3)c2)c1 727105188 UQNZWROKRFEDSZ-UHFFFAOYSA-N 314.360 3.223 10 10 DGCE C[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)c1cccnc1 746172306 KCVVVHLRWLCRFU-INIZCTEOSA-N 323.440 3.492 10 10 DGCE COc1cc(CN2C[C@@H]3CC[C@H](C2)O3)c(O)c(C(C)(C)C)c1 754736424 KGTQIVBBAKTTKU-OKILXGFUSA-N 305.418 3.062 10 10 DGCE COCCOc1cccc(CN[C@H](C)c2ccc(F)cc2O)c1 756432882 SNKDYDWGLYPRBT-CYBMUJFWSA-N 319.376 3.407 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(C2CCC2)cn1 819036556 IJFLFQBLEOMBBQ-UITAMQMPSA-N 310.353 3.412 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[C@H]2C[C@@H]2C1 828494310 BZYAYCMXBWMRPH-GVDBMIGSSA-N 315.461 3.473 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1CC[C@H]1C 840372441 DOHWWRUTSODRJI-HACGYAERSA-N 303.450 3.090 10 10 DGCE Cc1cc(Cl)cc(CN2CCC(NCC3CC3)CC2)c1O 843054286 JBPHDGARTAZOBC-UHFFFAOYSA-N 308.853 3.318 10 10 DGCE C[C@@]1(CCNCc2cc([N+](=O)[O-])ccc2O)C[C@@]1(F)Cl 846039115 UEZFOZWJTKXTKQ-OLZOCXBDSA-N 302.733 3.095 10 10 DGCE CCc1cccc(CN2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1O 848915834 MKJKXHXPXCVEFO-KZNAEPCWSA-N 303.446 3.470 10 10 DGCE CN(C[C@@H]1CCc2ccccc21)C(=O)/C=C/c1ccc(O)c(O)c1 856305105 LYIOFAALTGBUAG-BPLPYTOXSA-N 323.392 3.299 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CC(C)(C)CC(F)F 907275001 UPADKDCQLIXQKN-SNVBAGLBSA-N 315.360 3.217 10 10 DGCE CCc1noc([C@@H]2CC[C@H](N[C@@H](C)c3cc(F)ccc3O)C2)n1 927046737 BJYKZSYCEGCEQA-LOWVWBTDSA-N 319.380 3.464 10 10 DGCE CCC(C)(C)C(=O)N[C@H](C)CCNCc1ccc(OC)c(C)c1 1272986282 QGPFIDKHYCEOPZ-OAHLLOKOSA-N 320.477 3.424 10 10 DGCE COC(=O)[C@H]1CCC[C@@H]1NCc1ccc(N2CCCCC2)cc1 1321865802 ABQBGYKHNXUXOG-ROUUACIJSA-N 316.445 3.108 10 10 DGCE C[C@@H](NC(=O)c1cccc(O)c1F)c1ccc(N(C)C)cc1 1447968422 JACFXYLQHHDHDZ-LLVKDONJSA-N 302.349 3.088 10 10 DGCE Cc1ccc(C(=O)NCc2cc(O)ccc2O)c2ccccc12 1558175225 IWMDZBJTNBEKCG-UHFFFAOYSA-N 307.349 3.489 10 10 DGCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCC2(C)CC2)c1 1566203118 LLFPBEQGHBBVSN-UHFFFAOYSA-N 310.397 3.437 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2c(Cl)cncc2Cl)c1 1633282759 MTOFPZLKNQXTQL-UHFFFAOYSA-N 311.168 3.332 10 10 DGCE COc1nc(C(=O)NCc2cc(C)ccc2O)cc2ccccc12 1640797032 WSQLWOJLTCXQDM-UHFFFAOYSA-N 322.364 3.187 10 10 DGCE C[C@H]1CC(CNC(=O)/C=C/c2ccc(O)c(O)c2)C[C@H](C)C1 1641082273 HUWLIVGJGBWJEP-LOWFTVKWSA-N 303.402 3.300 10 10 DGCE CC(C)N1C(=O)/C(=C\c2ccc3c(c2)OCCO3)SC1=S 1858587065 RGYNDDCOFKCDJO-MDWZMJQESA-N 321.423 3.067 10 10 DGCE CN[C@@H](c1ccccc1O)c1c(C)nsc1Br 1912975078 BTZULWBAMWUTIF-NSHDSACASA-N 313.220 3.228 10 10 DGCE CC[C@]1(F)CCN(c2ccc(CNC)cc2Br)C1 1925603896 LWLUCHYUNXMIIE-AWEZNQCLSA-N 315.230 3.497 10 10 DGCE CCCN[C@H](CN(C)C(=O)OC(C)(C)C)c1ccccc1O 1928477161 QNQJKJFNJYEVOM-CQSZACIVSA-N 308.422 3.300 10 10 DGCE CN[C@H](c1ccccc1O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C 1936977631 UXZKZIRMSYFHEQ-IVMMDQJWSA-N 320.433 3.156 10 10 DGCE Nc1ccc(NC(=O)N[C@@H]2CC[C@@H]2OCc2ccccc2)cc1 1939573415 DWNIECFYNGPULG-SJORKVTESA-N 311.385 3.138 10 10 DGCE O=C1CCCCN[C@@H]1c1ccc(OCc2ccccc2)cc1O 1952380798 ZRCKMKKUACOMFM-LJQANCHMSA-N 311.381 3.355 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1C[C@H](Nc2ccc(N)cc2)C1(C)C 1959367349 OJJBJNWADUGCDZ-UONOGXRCSA-N 305.422 3.373 10 10 DGCE COc1cc(Cl)cc(CNC2C[C@H]3CSC[C@@H]3C2)c1O 1973975145 GFNQGKGETHSZSA-QWRGUYRKSA-N 313.850 3.285 10 10 DGCE CC(C)(C)OC(=O)NC[C@]1(F)C[C@H]([C@@H](N)c2ccccc2O)C1 1976953320 UYOFFJKZLGHMEP-JDSLSITLSA-N 324.396 3.035 10 10 DGCE CNCc1ccc(N(C)[C@@H](C)C(F)F)c(Br)c1 2009023915 WLSSWSJNJOJBCD-QMMMGPOBSA-N 307.182 3.258 10 10 DGCE C[C@H](F)[C@H]1CCCN1Cc1cccc(Br)c1O 2010592258 UZUOPNBCUQLNRI-JOYOIKCWSA-N 302.187 3.477 10 10 DGCE CC[C@@H](N)Cc1cnc(Sc2nnc(SC)s2)s1 2037807121 YCOZBFWYJFVNOZ-ZCFIWIBFSA-N 318.518 3.148 10 10 DGCE Nc1ccc(CCOc2ncc(Br)cc2F)cc1 2056264270 OGDDOKZRTVSHIX-UHFFFAOYSA-N 311.154 3.187 10 10 DGCE CCOc1ccc(CN[C@@H]2c3cnn(C)c3CC[C@@H]2F)cc1C 2062229451 UGNHJWGXEROTEN-MAUKXSAKSA-N 317.408 3.242 10 10 DGCE Cc1ccc(Cn2nc(C)c([N+](=O)[O-])c2C(F)(F)F)c(O)c1 2079216070 WXFXTCTXRREJID-UHFFFAOYSA-N 315.251 3.181 10 10 DGCE O=C(c1cccc2c1NCC2)c1c(F)cncc1Br 2107698722 BFDKYQWESZBQQX-UHFFFAOYSA-N 321.149 3.182 10 10 DGCE C[C@H](O)c1ccc(N(C)C2(CO)CCSCC2)cc1Cl 2171173609 YWHMXLCBHPGHQK-NSHDSACASA-N 315.866 3.088 10 10 DGCE CCCN[C@@H]1C[C@H]2[C@@H]([C@H]3CC[C@H]2O3)[C@H]1Sc1nccs1 2174471532 JZODNNROURATBB-KJKVDNPUSA-N 310.488 3.169 10 10 DGCE CN[C@@H](C)c1ccc(N(C)C2CSCCSC2)c(F)c1 2237060938 IXUOEBOWBLZBDD-NSHDSACASA-N 314.495 3.391 10 10 DGCE CN(C(=O)C=Cc1cn(C)c2ccccc12)c1ncccc1F 2302232163 FKTHPFQIKHVKTE-UHFFFAOYSA-N 309.344 3.389 10 10 DGCE CC=CC[C@H](CO)NC(=O)c1cc(C)n(-c2ccccc2)c1C 2309671944 RNCABILLTNNICY-MRXNPFEDSA-N 312.413 3.151 10 10 DGCE Cc1ccc(CN2CCC(=O)C[C@H]2C)c(O)c1Br 2327788152 BAERFUKANDHOLO-SNVBAGLBSA-N 312.207 3.017 10 10 DGCE CC1=NN(Cc2cc(C)ccc2C)C(=O)C1=Cc1cccn1C 2332127701 ZDXXWMRIKJJPHK-UHFFFAOYSA-N 307.397 3.444 10 10 DGCE C[C@H](Nc1ccc(C(N)=O)c(Cl)c1)c1cc(O)ccc1O 37121328 WPGLBXQVPZOHTL-QMMMGPOBSA-N 306.749 3.023 10 10 DGCE CCN[C@H](C)c1ccc(N2CCN(C3CC3)CC2)c(Cl)c1 61696939 IGSKHOSHPJTCRX-CYBMUJFWSA-N 307.869 3.295 10 10 DGCE Cc1ccn2c(/N=N\c3cccc(O)c3)c(CC(=O)O)nc2c1 71583609 NQSLKYBNQXNXCR-HNENSFHCSA-N 310.313 3.391 10 10 DGCE N[C@@H](c1cc(Cl)cc(Br)c1O)C(F)(F)F 72196019 QPJYXNGTSIIWER-ZETCQYMHSA-N 304.493 3.370 10 10 DGCE CC[C@@H]1[C@@H]2CNC[C@@H]2CN1Cc1cc(Cl)cc(Cl)c1O 90328777 SLWMVUAJCISCEV-MPKXVKKWSA-N 315.244 3.129 10 10 DGCE Cc1cc(Br)cc(CN2C[C@H](C)O[C@@H](C)C2)c1O 124498090 DAEITPCETJIOSP-QWRGUYRKSA-N 314.223 3.072 10 10 DGCE C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)C(C)(C)C 155044482 ILHMTVRNJFEXJM-CQSZACIVSA-N 301.434 3.297 10 10 DGCE Cc1nccn1C[C@H]1CCCN1Cc1cc(Cl)ccc1O 180126086 OXZFRHZNKPUHAM-OAHLLOKOSA-N 305.809 3.215 10 10 DGCE COc1cc(Cl)cc(CN2CCO[C@H]3CCCC[C@@H]32)c1O 184681924 OHEMTXLBEIOJFJ-KBPBESRZSA-N 311.809 3.198 10 10 DGCE COc1ccc(O)c([C@H](C)NCCCc2c(C)nn(C)c2C)c1 186227711 XUOAHXYZYBYCHK-LBPRGKRZSA-N 317.433 3.035 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/C1CCCCC1 186440854 GLLGDACHCYRQKI-AORWBKJGSA-N 303.402 3.282 10 10 DGCE Cc1csc(NC(=O)CN(C)c2ccc(OC(C)C)cc2)n1 191592283 SNJVGEGIFOEPRG-UHFFFAOYSA-N 319.430 3.314 10 10 DGCE CCN(C(=O)/C=C\c1cnc2ccccc2n1)c1ccncc1 299735632 QWTDUZSEUTWHRL-FPLPWBNLSA-N 304.353 3.091 10 10 DGCE C[C@H](N[C@@H](C)c1nnc2n1CCCCC2)c1ccc(F)cc1O 320572996 QUOKGWZOVNZGRC-RYUDHWBXSA-N 318.396 3.261 10 10 DGCE c1ccc2c(c1)C[C@@H](NCc1ccc(N3CCCC3)cc1)CO2 328137761 PSODMHCUKNMAHC-GOSISDBHSA-N 308.425 3.380 10 10 DGCE Cc1ccnc(CNCc2cccc(Br)c2O)c1 328298019 TZSPAHODJBOXNO-UHFFFAOYSA-N 307.191 3.148 10 10 DGCE C[C@@H](c1cc(Br)ccc1O)N(C)C[C@H]1CCOC1 398857997 VTWICYWGSAYAIC-WDEREUQCSA-N 314.223 3.184 10 10 DGCE CCOc1ccccc1[C@@H]1CN(Cc2ccc(N)cc2)C(=O)O1 585893867 XJYRSEBUAYZCSS-KRWDZBQOSA-N 312.369 3.361 10 10 DGCE Nc1ccc(COCCc2ccc(Br)cn2)cc1 695681103 YZRGLXVVLPTTFM-UHFFFAOYSA-N 307.191 3.186 10 10 DGCE C[C@H]1[C@@H](NCc2cc(F)ccc2O)CCN1C(=O)OC(C)(C)C 704617743 SQMWXUHNGBGJPC-FZMZJTMJSA-N 324.396 3.019 10 10 DGCE CC1(C)SC[C@@H]1NCc1c(O)cccc1Br 706881110 NFGRJRXFWAZKRH-NSHDSACASA-N 302.237 3.138 10 10 DGCE CC(C)(C)[C@@H](N)[C@H](N)c1ccc(OCc2ccccc2)cc1O 713742070 LVRIRQDFIDNPKW-MSOLQXFVSA-N 314.429 3.344 10 10 DGCE Oc1ccc2ccccc2c1CNC1CCC2(CC1)OCCO2 715730606 JGUZODZFDIJBDW-UHFFFAOYSA-N 313.397 3.321 10 10 DGCE COc1cc(CN(C)c2ccc([C@@H](C)O)c(Cl)c2)sn1 722396731 SYFMPPUAJPSTES-SECBINFHSA-N 312.822 3.495 10 10 DGCE COc1cc(Cl)cc(CN2CC[C@H](c3ccccn3)C2)c1O 798963654 IIXDGEZXWCZTNT-LBPRGKRZSA-N 318.804 3.439 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CC[C@H](OC(F)F)C2)c1O 801989699 ZYRRHEFNKNLLMV-NSHDSACASA-N 319.735 3.062 10 10 DGCE C/C(=C\C(=O)N1CC(C)(C)Cc2ccccc21)c1cnccn1 833311537 XNCPNLSGKISUGF-GXDHUFHOSA-N 307.397 3.495 10 10 DGCE CN(C)c1ccc(/C=C\CNC[C@](C)(O)c2ccccc2)cc1 835038963 DOPJPTZQCVFMQQ-AQWUKCDYSA-N 310.441 3.263 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC(C2CC2)C1 840481389 DHZSJLBHYJKZAB-CQSZACIVSA-N 315.461 3.043 10 10 DGCE Cc1cc(O)c(CNc2nnc(C(F)(F)F)o2)c(Cl)c1 840883812 XYFOVORUVUWDJU-UHFFFAOYSA-N 307.659 3.368 10 10 DGCE COCCCn1ccc(NCc2c(O)cc(C)cc2Cl)n1 840905489 GZMTZCKWECFYSC-UHFFFAOYSA-N 309.797 3.199 10 10 DGCE Cc1cc(O)c(CN[C@H](CO)Cc2ccc(F)cc2)c(Cl)c1 840941673 HENQSSJZOLJXSX-AWEZNQCLSA-N 323.795 3.186 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)/C=C\COc1ccccc1 841120194 DAVOKJNXRWADTN-YFHOEESVSA-N 324.424 3.312 10 10 DGCE Oc1ccc(Cl)cc1CN1CCc2cc(Cl)nnc2C1 843418087 HTYOSVJWYULQHT-UHFFFAOYSA-N 310.184 3.047 10 10 DGCE COC(=O)Cc1ccccc1CNCc1cc(C)c(C)cc1O 848578309 ARYVNYNFHXZHPL-UHFFFAOYSA-N 313.397 3.014 10 10 DGCE Cn1cc(C[C@@H]2CCC[C@@H]2NCc2cc(Cl)ccc2O)cn1 850383984 GSTCXTMJYPKIAJ-BBRMVZONSA-N 319.836 3.280 10 10 DGCE COC(=O)CC(C)(C)C[C@@H](C)NCc1ccc2c(c1)CCO2 850429512 FXKMEHHDPYNJSZ-CYBMUJFWSA-N 305.418 3.079 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)C3=CC[C@@H](C)CC3)C2)cc1 855226790 UESRWFCGQDETGD-ZBFHGGJFSA-N 314.429 3.137 10 10 DGCE CCCCSCC(=O)NCc1ccc2cccnc2c1O 862029376 WWIIUSWQHFIANT-UHFFFAOYSA-N 304.415 3.090 10 10 DGCE O=C(NCC1CC(F)(F)C1)c1cc2cc(O)c(O)cc2s1 897820353 PUWJTTQSKTWZNZ-UHFFFAOYSA-N 313.325 3.088 10 10 DGCE Cc1cc(CO)cc(C)c1CN[C@H](C)c1c(O)cccc1F 903303022 JDQYDZOPZQPUKT-CYBMUJFWSA-N 303.377 3.491 10 10 DGCE Oc1cccc2c1[C@H](NC[C@@H]1CCC[C@H](C(F)(F)F)O1)CC2 926914743 JAZJYSNJDPWIOL-OUCADQQQSA-N 315.335 3.469 10 10 DGCE COC(=O)C1=CC[C@H](N[C@@H]2C[C@@H](C)c3c(C)ccc(O)c32)C1 1118808636 UMCVOWNKJSXZIQ-KWCYVHTRSA-N 301.386 3.100 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F 1347500263 XDYMONYUOYYEIO-WQVCFCJDSA-N 322.399 3.359 10 10 DGCE CN(C(=O)/C=C\c1cn(C)cn1)c1cc(Cl)cc(Cl)c1 1456300281 PICODYNZWDJQQQ-ARJAWSKDSA-N 310.184 3.403 10 10 DGCE COc1ccc(CNC[C@@H](C)NC(=O)[C@@H]2CCC2(C)C)cc1C 1497883612 KQMLLULFZBJKNJ-ZBFHGGJFSA-N 318.461 3.034 10 10 DGCE O=C(c1c(F)ccc(O)c1O)N1CCC[C@@H](C2CCCC2)C1 1654858825 GZDNBIWAKXWVRH-GFCCVEGCSA-N 307.365 3.279 10 10 DGCE N[C@H]1CCN(c2ccc(OCc3ccccc3)cc2)CC1(F)F 1899881346 FIQQVULZIUIMBX-KRWDZBQOSA-N 318.367 3.438 10 10 DGCE Nc1ccc(COCCOCCOCc2ccccc2)cc1 1910553952 DMNIYDFZEGKCTO-UHFFFAOYSA-N 301.386 3.019 10 10 DGCE CC12CN(C(=O)OC(C)(C)C)C([C@@H](N)c3ccccc3O)(C1)C2 1936981308 KXEYIDSAALIXJI-NNGSBXSVSA-N 318.417 3.182 10 10 DGCE Oc1ccc(Br)cc1CNC1(C(F)F)CCC1 1942731163 XRDCEPMRBVKLQJ-UHFFFAOYSA-N 306.150 3.432 10 10 DGCE CN(C)c1ccc([C@@H]2C[C@H](N)CCN2C(=O)OC(C)(C)C)cc1 1952085121 FCFGAKOXMIJBLA-ZBFHGGJFSA-N 319.449 3.152 10 10 DGCE CC(C)(C)OC(=O)N[C@H](CCc1ccc(N)cc1)C(F)F 1953011293 XLEFLZRAFRGRBI-GFCCVEGCSA-N 300.349 3.360 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CN(CCCN=[N+]=[N-])C2(CCC2)C1 1962303942 KJMBIVUUSCVUDL-LBPRGKRZSA-N 309.414 3.209 10 10 DGCE CC[C@@H](CO)CN[C@H](CC)c1cc(Br)ccc1O 1964486846 UDHUAPJCOXQFTE-ZWNOBZJWSA-N 316.239 3.214 10 10 DGCE CN(C[C@@H]1CCCCN1c1ccc(N)cc1)C(=O)OC(C)(C)C 1977891787 LTFMOPWSJLWIKU-INIZCTEOSA-N 319.449 3.495 10 10 DGCE C[C@H](N)c1ccc(N2CC3CC2(CF)C3)c(Br)c1 2030293237 XSBNMHHTBSRFDO-IPWFMCSPSA-N 313.214 3.407 10 10 DGCE C[C@H]1C[C@@H](CN(C)Cc2cc(Br)ccc2O)CO1 2040273536 FOSXZVTWFQICHL-QWRGUYRKSA-N 314.223 3.012 10 10 DGCE CN[C@H](c1cscc1Cl)[C@H](O)c1ccc(N(C)C)cc1 2148340933 VGVHGZMIINKPIL-HUUCEWRRSA-N 310.850 3.462 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@H]1C[C@@H](n2ccnc2)C1 2184149709 DENXJBMYBPWTEZ-TXEJJXNPSA-N 312.200 3.389 10 10 DGCE O=C(O)[C@]12C[C@H](CCN1Cc1cc(Cl)cc(Cl)c1O)C2 2192562522 KQCRUZGBPKLFAF-XZWHAEGMSA-N 316.184 3.138 10 10 DGCE Nc1ccc(CCCSc2nc3nccnc3s2)cc1 2283826211 MKLIFDWZHJCACC-UHFFFAOYSA-N 302.428 3.393 10 10 DGCE O[C@@H]1[C@H]2C[C@@H]3CN(c4ccc(OCc5ccccc5)cc4)[C@@H]1[C@H]3C2 2299509482 AMTLKPRWRCDSMR-ILACCBGSSA-N 321.420 3.471 10 10 DGCE Cc1ccc(CNC(=O)C2C[C@H]3C[C@@H]3C2)c(O)c1Br 2352628028 SGDRSDQQJOTDGW-GHMZBOCLSA-N 324.218 3.125 10 10 DGCE Cc1ccc(CNCCc2ccncc2)c(O)c1Br 2352683379 HFVUNGIPKKKAMA-UHFFFAOYSA-N 321.218 3.190 10 10 DGCE CN(C)[C@H]1C[C@H]2C[C@H]1CN2Cc1cc(Cl)cc(Cl)c1O 2366827436 HHIYMTHLKXOVAG-BHYNMZESSA-N 315.244 3.223 10 10 DGCE [N-]=[N+]=NCCCNC(=O)c1ccc(Br)cc1F 42013085 BOBJULFZXUSMPG-UHFFFAOYSA-N 301.119 3.018 10 10 DGCE CN1CCc2cc([C@H](N)c3nc(C(C)(C)C)cs3)ccc21 50287799 MKIBARBKCADYGN-HNNXBMFYSA-N 301.459 3.481 10 10 DGCE O=[N+]([O-])c1cc(C/N=N/c2nc3ccccc3[nH]2)c(O)cc1O 59503486 DNKDQQZNBLSMBS-OBGWFSINSA-N 313.273 3.166 10 10 DGCE CC(C)NCc1cc(F)c(N(CCCO)C(C)C)c(F)c1 62713283 GJMGDCIOWWWIRG-UHFFFAOYSA-N 300.393 3.060 10 10 DGCE C[C@H]1CC[C@@H](C)N(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 73915665 GGBJZWTZQFZMCV-QWHCGFSZSA-N 307.413 3.222 10 10 DGCE CCOc1cccc(CN2CCO[C@@H](c3ccc(C)o3)C2)c1O 93864810 TZPCCMWHTJOBNY-QGZVFWFLSA-N 317.385 3.266 10 10 DGCE Cc1ccc(C)c(NC=C2C(=O)OC3(CCCCC3)OC2=O)c1 103818315 DVMGLSRIHMHOLV-UHFFFAOYSA-N 315.369 3.360 10 10 DGCE Cc1cncc(/C=C/C(=O)N2CCN(C)c3cc(F)ccc32)c1 131705174 GRWXGFSKHUBADF-ZZXKWVIFSA-N 311.360 3.025 10 10 DGCE Cc1cc(C(=O)NC[C@@H](C)CO)c(C)n1-c1cccc(Cl)c1 160507829 LCDRQFIEFBAHTJ-LLVKDONJSA-N 320.820 3.106 10 10 DGCE CCOCCN(CC)c1ccc(CNC)cc1C(F)(F)F 163717953 ISRFUTVJUHZAFO-UHFFFAOYSA-N 304.356 3.288 10 10 DGCE Nc1ccc(CC(=O)Cc2cc(Cl)cc3c2OCC3)cc1 166810753 GSEQPWXUCBFZIC-UHFFFAOYSA-N 301.773 3.211 10 10 DGCE C[C@H]1CCCN1C(=O)c1cccc2c1C(=O)c1ccccc1C2=O 175378694 UXLHBPLYLCREKT-LBPRGKRZSA-N 319.360 3.087 10 10 DGCE COc1ccc(N(C)Cc2cn(C(C)(C)C)nn2)cc1Cl 191469443 IMCLYAAUGJFQFG-UHFFFAOYSA-N 308.813 3.332 10 10 DGCE CNc1nc(N=Nc2ccccc2)nc(OCC(F)(F)F)n1 254293125 YJGDBUNGTLYTIE-UHFFFAOYSA-N 312.255 3.270 10 10 DGCE C[C@@H](N[C@@H]1CCN(Cc2ccccc2)C1)c1cc(O)ccc1O 302872353 PQYAXRBVJFPURD-GDBMZVCRSA-N 312.413 3.023 10 10 DGCE CN(CCc1ccc(N)cc1)C[C@H]1CCN(Cc2ccccc2)C1 382771082 LRGUYFHVVLMOCL-HXUWFJFHSA-N 323.484 3.265 10 10 DGCE C[C@]1(NCc2ccc3c(c2)CCO3)CCN(Cc2ccccc2)C1 406003281 QMZLXEYZQRHIMK-NRFANRHFSA-N 322.452 3.376 10 10 DGCE C[C@@H]1O[C@H](C)[C@@H](NCc2c(O)cccc2Br)[C@@H]1C 706883729 XRYHMOYNVUXNOQ-PUXPGTEJSA-N 314.223 3.056 10 10 DGCE CCCN(Cc1c(O)cccc1Br)[C@@H]1CCOC1 707140380 QCNZAHDEUOCKQZ-LLVKDONJSA-N 314.223 3.156 10 10 DGCE C[C@@H]1C[C@@]1(C)CNCc1cc(Br)cc(F)c1O 715736862 IILRRBJKSAQABI-OQPBUACISA-N 302.187 3.430 10 10 DGCE C[C@H]1C[C@@H](N(C)Cc2ccc(Br)cc2O)CCO1 721482184 RELRVZSIKSYTOL-GWCFXTLKSA-N 314.223 3.154 10 10 DGCE CC[C@@H](NC(=O)c1cc(O)cs1)c1nc2ccccc2[nH]1 732284397 OPHSAMBJHGBQBH-SNVBAGLBSA-N 301.371 3.211 10 10 DGCE O=C(/C=C/c1cnccn1)N1CC2(CCCC2)c2c(F)cccc21 749151594 SSTMBMIJDOKJRJ-VOTSOKGWSA-N 323.371 3.488 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)[C@H](C)n1nc(C)cc1C 761749494 FOXKESMPYQJFAQ-HNNXBMFYSA-N 315.417 3.205 10 10 DGCE COc1cc(CN2CC[C@H](C(F)(F)F)[C@@H]2C)c(O)cc1C 794650776 MSGCFZXDAVAFDS-JQWIXIFHSA-N 303.324 3.482 10 10 DGCE COC(=O)/C=C/c1ccc(N2CC(C)=C[C@@H](C)C2)c([N+](=O)[O-])c1 797438742 HGXZKRQHQYCGHG-HOSRBBHYSA-N 316.357 3.183 10 10 DGCE Cn1c(O)nc2ccc(NCc3c(O)cccc3Cl)cc21 799739716 BJDOAGWIVWDZKN-UHFFFAOYSA-N 303.749 3.250 10 10 DGCE COc1ccc(N(Cc2ccccc2)C[C@@H]2COCCO2)cc1 828113638 LSYHOSCWYHKILD-LJQANCHMSA-N 313.397 3.117 10 10 DGCE C/C(=C/C(=O)N1CC(C)(C)Cc2ccccc21)c1cnccn1 833311539 XNCPNLSGKISUGF-UVTDQMKNSA-N 307.397 3.495 10 10 DGCE CCc1ccc(N(CC2CC2)C(=O)/C=C\c2cnccn2)cc1 836835037 JEHDCVNRQCRMON-YFHOEESVSA-N 307.397 3.495 10 10 DGCE Cc1cc(N(C)C)ccc1CN[C@@H](C)Cc1c(C)nn(C)c1C 840935127 GBTPENMMBPLLRI-AWEZNQCLSA-N 314.477 3.132 10 10 DGCE CN(C)c1ccc(CNC[C@@H]2C[C@H]2C2CCOCC2)cc1F 865785291 RBOQZWGKXSZXOZ-HOTGVXAUSA-N 306.425 3.044 10 10 DGCE CC(C)=CC[C@H](NC/C=C\c1ccc(N(C)C)cc1)C(=O)O 904033080 QGNWCOXGTZNSQU-OSJSJHBBSA-N 302.418 3.165 10 10 DGCE C[C@H](NC(=O)[C@H]1CCOC2(CCCC2)C1)c1ccccc1O 913763379 FDKGKCRZPAFVPU-KBPBESRZSA-N 303.402 3.309 10 10 DGCE Cc1ncccc1/C=C\C(=O)N1CCCc2c1cccc2[N+](=O)[O-] 1127661007 VBQKANAGKWEKPK-KTKRTIGZSA-N 323.352 3.291 10 10 DGCE Cc1ccc(C(=O)Nc2cccc(OC(C)C)c2)c(O)c1O 1158904836 TXKKAUOQEXOUBL-UHFFFAOYSA-N 301.342 3.446 10 10 DGCE Cc1cc(CN[C@H](C(C)C)[C@H](CO)C(C)C)ccc1N(C)C 1170442892 LCUDJMSVZWHMDE-IEBWSBKVSA-N 306.494 3.440 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnc2ccccc2c1 1447563157 MGOLRGACYHXTEA-GFCCVEGCSA-N 322.364 3.007 10 10 DGCE COc1cc(C(=O)NCc2cccc(Cl)c2O)ccc1F 1457038545 WQGPVXNCNIIDHX-UHFFFAOYSA-N 309.724 3.123 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)/C=C(/C)c2ccco2)c1 1465991384 CVNZEEQXJZUGBQ-MMRAYRKESA-N 301.342 3.275 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2cccc(C(F)(F)F)n2)c1 1470254898 NKAPNRVTYRUQLN-UHFFFAOYSA-N 310.275 3.044 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1csc2cncn12 1472086091 LJXVJNHWDVMWBG-UHFFFAOYSA-N 323.377 3.185 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@H]2[C@@H]2CCCO2)cc1 1570898335 QLMBTJUVXUUUDL-QRVBRYPASA-N 324.424 3.391 10 10 DGCE C[C@@H](F)CCNC(=O)N(C)Cc1ccc(N2CCCC2)cc1 1635570238 GXBNWMXYTAERPJ-CQSZACIVSA-N 307.413 3.176 10 10 DGCE CSc1cccnc1C(=O)NCc1cccc(Cl)c1O 1637232592 UUBSIQJAEDTRGN-UHFFFAOYSA-N 308.790 3.093 10 10 DGCE C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)c1ccccc1 1638191064 BKIQNINETHCDTD-LBPRGKRZSA-N 310.357 3.383 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2cc(C)c(Br)o2)c1 1640800510 PKIRZJOQYCWNJE-UHFFFAOYSA-N 324.174 3.295 10 10 DGCE CC1(C)C[C@H](C(=O)NCc2c(O)ccc3ccccc23)CCO1 1645442840 AVLUYRRNOFJGGD-CQSZACIVSA-N 313.397 3.367 10 10 DGCE c1ccc(CN2CC[C@H]2CNCc2ccc3c(c2)CCCO3)cc1 1656682306 HNAOEHCZKQOWRM-FQEVSTJZSA-N 322.452 3.376 10 10 DGCE CCCN1N=C(C(F)(F)F)/C(=C/c2cc(C)ccc2O)C1=O 1865665876 PVIRCOJNPRVKML-FLIBITNWSA-N 312.291 3.255 10 10 DGCE COc1cc(/C=C2/C(=O)N(CC(C)C)N=C2C)cc(Cl)c1O 1865675043 LWOOUALZFASUPJ-LFYBBSHMSA-N 322.792 3.312 10 10 DGCE OC[C@H]1CC[C@@](F)(CNCc2c(O)cccc2Cl)CC1 1875990581 JOBKKWABPAWKAF-FUKZOUPISA-N 301.789 3.026 10 10 DGCE [N-]=[N+]=NCC1CCN(S(=O)(=O)c2ccsc2Cl)CC1 1912147912 MQDYNORELYXDTN-UHFFFAOYSA-N 320.827 3.113 10 10 DGCE CN(CCCN=[N+]=[N-])C(=O)c1cc(Br)ccc1F 1912162665 YUVRNMBEEVUKGS-UHFFFAOYSA-N 315.146 3.361 10 10 DGCE Cc1cc(C(=O)N2CCC(N=[N+]=[N-])CC2)oc1Br 1912172635 VMLJRNOTDUGTHD-UHFFFAOYSA-N 313.155 3.265 10 10 DGCE CCc1ccc(S(=O)(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)s1 1912191625 UEKBQJSYFAJTIL-JTQLQIEISA-N 314.436 3.022 10 10 DGCE Oc1c(F)cc(Br)cc1CNCC(F)(F)C1CC1 1912504751 WOUZOAIKXKABCS-UHFFFAOYSA-N 324.140 3.429 10 10 DGCE CNCc1ccc(N2CC3(C2)CC3(F)F)cc1Br 1914940448 LCVKOONANKINNX-UHFFFAOYSA-N 317.177 3.014 10 10 DGCE C[C@H]1C[C@@H](NCc2ccc(N)cc2)CN(C(=O)OC(C)(C)C)C1 1923149294 FMFZLPGAMMXSNX-XJKSGUPXSA-N 319.449 3.004 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H]1[C@@H](O)c1ccc(N(C)C)cc1 1977938390 ISVHMTQRCVXPFJ-WQVCFCJDSA-N 320.433 3.041 10 10 DGCE CN[C@H](c1ccccc1O)[C@@H]1CC[C@@H](C)N1C(=O)OC(C)(C)C 1982934333 MKUHBUJSXXVRSR-IVMMDQJWSA-N 320.433 3.441 10 10 DGCE C[C@H](N)c1cc(F)c(N(Cc2ccccc2)C2COC2)c(F)c1 1990439855 MVFOSFLTCRCXQI-LBPRGKRZSA-N 318.367 3.390 10 10 DGCE Oc1cccc(Br)c1CN1C[C@@H](F)C[C@@H](F)C1 2011416741 YEIHWYBXRIRBCX-DTORHVGOSA-N 306.150 3.037 10 10 DGCE C[C@@H]1C[C@H](N(C)c2ccc(CO)c(Br)c2)CS1 2015481550 KSSBLHHGOZPJMC-SKDRFNHKSA-N 316.264 3.272 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@@H]3C[C@@H]3[C@H]3C[C@@H]32)cc1Br 2053728614 AIXKTMRTEGKNPP-RNOGGXLWSA-N 308.219 3.347 10 10 DGCE COC(=O)c1cc(C2CCCC2)nn1Cc1cc(F)ccc1O 2069861885 KQSQOGHEPHLOGK-UHFFFAOYSA-N 318.348 3.220 10 10 DGCE COC(=O)c1cc(C2CC2)nn1[C@@H](C)c1ccc(C)cc1O 2069961923 XYHJRKFXPUXFCS-NSHDSACASA-N 300.358 3.170 10 10 DGCE CNCc1ccc(N2CC[C@H]3C=C[C@H]2C3)c(Br)c1 2078712169 MEAWJHIIKKLWBI-YPMHNXCESA-N 307.235 3.323 10 10 DGCE COc1cccc(NCc2cccc(O)c2O)c1Br 2108997331 MVJJCDCHMCUQGT-UHFFFAOYSA-N 324.174 3.481 10 10 DGCE Cc1ncccc1CN(C)c1ccc(CN)cc1Br 2129840990 AEWUVARUPDBABN-UHFFFAOYSA-N 320.234 3.248 10 10 DGCE CSc1ncc(CNCCc2ccccc2[N+](=O)[O-])s1 2208618620 YSMQYVSTMUQDGP-UHFFFAOYSA-N 309.416 3.106 10 10 DGCE COc1ccc(N(Cc2ccccc2)[C@@H]2CCOC2)c(C=O)c1 2211293521 RQRYQPKELMMBGW-QGZVFWFLSA-N 311.381 3.303 10 10 DGCE CCNCc1ccc(N(C)[C@H](C)CF)c(Br)c1 2249287012 QOWVPKHZFNFAOH-SNVBAGLBSA-N 303.219 3.353 10 10 DGCE CC[C@@H]1CNC2(CCCC2)CN1Cc1cnc(SC)s1 2284678031 TUFUNPOFVVEIIF-GFCCVEGCSA-N 311.520 3.362 10 10 DGCE Cc1ccc(CNC[C@H]2CC(C)(C)O2)c(O)c1Br 2327611769 GJHIZGMXIZAPDW-LLVKDONJSA-N 314.223 3.120 10 10 DGCE CCC1=NN(c2ccccn2)C(=O)C1=Cc1ccccc1[N+](=O)[O-] 2332144888 WXNKRJLVJROTQA-UHFFFAOYSA-N 322.324 3.186 10 10 DGCE CCNCc1ccc(N(C)Cc2snnc2C)cc1Cl 2361126407 ZRSIVXNBOOZHIU-UHFFFAOYSA-N 310.854 3.246 10 10 DGCE CN[C@@H](C)c1ccc(N2CC[C@@H](SC(F)F)C2)cc1O 2365707417 MRUUPROKXOTESJ-GXSJLCMTSA-N 302.390 3.207 10 10 DGCE CCN(c1ccc(N)cc1)S(=O)(=O)c1ccc(Cl)s1 63114366 KBHQPHAHVUAFGM-UHFFFAOYSA-N 316.835 3.199 10 10 DGCE CN(C)c1ccc2c(c1)[C@H](CN)N(Cc1ccc(Cl)cc1)C2 71683323 YNXLFJJCNHMLSU-SFHVURJKSA-N 315.848 3.422 10 10 DGCE CCN(CC)c1ccc(CN2CC[C@H](c3cnn(C)c3)C2)cc1 128536645 DGZOXCZVGZWZNG-KRWDZBQOSA-N 312.461 3.256 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)C(=O)n1ccc2cccc(N)c21 170026316 FQSGOKQHAYLNNR-NSHDSACASA-N 310.353 3.154 10 10 DGCE C[C@@H](Cc1ccsc1)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 181156882 UIEYUFXCRTWGAV-FUEXJSSKSA-N 317.410 3.262 10 10 DGCE C[C@@H](CN[C@@H](C)c1cc2c(cc1O)CCCC2)Cn1ccnc1 185209364 HZESBKQJXDVSOC-GJZGRUSLSA-N 313.445 3.454 10 10 DGCE Nc1ccc(Cc2ccc(NC(=O)OCCCCO)cc2)cc1 207502293 UWOCPQGJYMGPEI-UHFFFAOYSA-N 314.385 3.181 10 10 DGCE COc1cc(CNCCc2ccc(F)cc2)ccc1N(C)C 212691217 VEFIGMWVEHZEPN-UHFFFAOYSA-N 302.393 3.233 10 10 DGCE CC(C)NCc1ccc(N2C[C@H](C)[C@H](N(C)C)C2)c(Cl)c1 227232763 PEZBLCPORUXIIK-SUMWQHHRSA-N 309.885 3.224 10 10 DGCE Cc1cccc(CNCc2cc(Br)ccc2O)n1 227438590 MFERILZXMGETLM-UHFFFAOYSA-N 307.191 3.148 10 10 DGCE NC1(c2cc(Br)cc(Br)c2O)CCC1 238559145 DFWWFLGBCOVIIN-UHFFFAOYSA-N 321.012 3.255 10 10 DGCE CCOc1ccc(N=Nc2c(=O)[nH]n3c(C)cc(C)nc23)cc1 252641331 ZBZLHYBHPORVTP-UHFFFAOYSA-N 311.345 3.454 10 10 DGCE COc1nnc(NCc2ccc(N3CCCCC3)cc2)s1 287806285 ULBGIFVPKRJWME-UHFFFAOYSA-N 304.419 3.149 10 10 DGCE Oc1cccc2c1[C@@H](N[C@H]1[C@@H]3CN(Cc4ccccc4)C[C@@H]31)CC2 398405531 PVXDGAAVJMQWJY-TWFHAPMSSA-N 320.436 3.100 10 10 DGCE CSC[C@@H]1CCCN1c1ccc(CN)cc1C(F)(F)F 400463465 TVSUBXAEFHAAGJ-NSHDSACASA-N 304.381 3.496 10 10 DGCE CN(Cc1c(O)cccc1Br)C[C@@]1(C)CCOC1 687521545 GQFYPJWCLMGIJZ-CQSZACIVSA-N 314.223 3.013 10 10 DGCE COC[C@@H]1CCCN1[C@H](C)c1cc(Br)ccc1O 696562464 KNLQVFHKQPBUIA-PWSUYJOCSA-N 314.223 3.327 10 10 DGCE CC[C@H](NC(=O)c1cc(O)cs1)c1cccc([N+](=O)[O-])c1 749545583 PAPKKMIRRSJVHR-LBPRGKRZSA-N 306.343 3.243 10 10 DGCE COc1ccc(CNC(=O)NCC[C@@H]2CCC[C@H](C)C2)c(O)c1 792944713 DNFYCULPTLBORV-KBPBESRZSA-N 320.433 3.416 10 10 DGCE CC(C)N(Cc1cc(C(C)(C)C)cc(O)c1O)[C@H]1CCOC1 812292324 RTXMFVMIRMSTKN-HNNXBMFYSA-N 307.434 3.395 10 10 DGCE CCN(Cc1nn(C)cc1Cl)c1ccc(OC)c(OC)c1 817274955 UNJTXQDVWPSJHS-UHFFFAOYSA-N 309.797 3.117 10 10 DGCE CCN1CC[C@@H](N(C)Cc2ccc(N(C)C)cc2C)[C@@H](C)C1 840917999 XTOUBNMTDXREJJ-QFBILLFUSA-N 303.494 3.223 10 10 DGCE C[C@H](NCc1cnc(C(F)(F)F)nc1)c1ccc(N(C)C)cc1 844321638 FXVNMQQRHGWMNE-NSHDSACASA-N 324.350 3.412 10 10 DGCE Oc1ccc(Cl)c(F)c1CN[C@@H](C1CCOCC1)C1CC1 846043044 UTHMBAYZXLQPOV-MRXNPFEDSA-N 313.800 3.480 10 10 DGCE Cc1cc(O)c(CNc2ccc([C@@H]3CNCCO3)cc2)cc1C 849352535 NVWKJFQJNIRPAB-IBGZPJMESA-N 312.413 3.282 10 10 DGCE CCOC(=O)C1=CC[C@H](N[C@@H](CC)c2ccc(N(C)C)cc2)C1 858505598 NCOGGOHJMBCLGV-WMZOPIPTSA-N 316.445 3.445 10 10 DGCE CN(C)c1cc(F)c(CN2CCC[C@@H]3COCC[C@H]32)cc1F 862252417 TWJVLSKDOZJSIH-MLGOLLRUSA-N 310.388 3.032 10 10 DGCE C/C=C/CNC(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1 863111670 FJUBAUAVSYPFLI-SNAWJCMRSA-N 310.397 3.141 10 10 DGCE CC[C@@H](NC(=O)N[C@@H](C)c1ccccc1O)[C@H]1CCCCO1 868754256 HLIQCOPCJIGJTJ-JGGQBBKZSA-N 306.406 3.100 10 10 DGCE Cc1coc(CN(C)Cc2ccc(N3CCOCC3)cc2)c1 893910570 LWUMPXDOADPPNI-UHFFFAOYSA-N 300.402 3.057 10 10 DGCE CS[C@@H]1CCC[C@H](NC(=O)NCc2c(O)cccc2F)C1 919225002 DGESIXOCSAUCJC-WDEREUQCSA-N 312.410 3.005 10 10 DGCE CC[C@H](N[C@H]1C[C@@H]2OC(C)(C)O[C@@H]2C1)c1ccc(C)cc1O 927053706 BBJUQZLUADRIMY-ZFZWDLNGSA-N 305.418 3.424 10 10 DGCE Cc1coc(C(=O)NCc2cc(Br)ccc2O)c1C 1117269424 MVRDUIUMYHPLGB-UHFFFAOYSA-N 324.174 3.295 10 10 DGCE CCc1cc(=NCc2cc(C)ccc2O)nc(-c2ccncc2)[nH]1 1307168263 AXFWDRZIPBOOAR-UHFFFAOYSA-N 320.396 3.149 10 10 DGCE Cc1ccc(CN[C@H]2CN(Cc3ccccc3)C[C@@H]2C)c(O)c1 1308667839 GGWIADCZUXLCLO-LPHOPBHVSA-N 310.441 3.311 10 10 DGCE COc1ccc(CNC[C@H](C)NC(=O)C2CCCCC2)cc1C 1321779125 LRFNLTVWVABBDA-HNNXBMFYSA-N 318.461 3.178 10 10 DGCE COc1ccnc(CNCc2ccc(N3CCCC3)cc2)c1F 1333847085 PBQRBWWBCZREDJ-UHFFFAOYSA-N 315.392 3.119 10 10 DGCE C/C(=C\C(=O)N1CCCc2c(F)cc(F)cc21)c1cnccn1 1350185499 NCLMLIOOEPBJMR-YRNVUSSQSA-N 315.323 3.138 10 10 DGCE Cc1ccc([C@@H]2C[C@H]2C(=O)NCc2c(O)cccc2O)cc1C 1597578550 ADGRQHOYIZGEIN-LSDHHAIUSA-N 311.381 3.135 10 10 DGCE C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(Cl)c(F)c1 1630776138 UEJJSPOMASZWBQ-VIFPVBQESA-N 323.751 3.310 10 10 DGCE O=C(CCNCc1cc(Cl)ccc1O)Nc1ccc(F)cc1 1857853642 KNALYFGLBNINSU-UHFFFAOYSA-N 322.767 3.303 10 10 DGCE C[C@@H](NS(=O)(=O)c1ccsc1Cl)c1ccccc1O 1877586716 BVKPGCCOPFVKKZ-MRVPVSSYSA-N 317.819 3.147 10 10 DGCE C[C@H](CN1CCC(CN=[N+]=[N-])CC1)C(=O)OCc1ccccc1 1912155171 GIMDPEAYHFHISU-CQSZACIVSA-N 316.405 3.388 10 10 DGCE C[C@@H](N[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C)c1ccccc1O 1937552832 JDFIMCFMLJBJOD-BPLDGKMQSA-N 320.433 3.489 10 10 DGCE CC(C)(C)OC(=O)N[C@H](CN)c1cc2ccccc2cc1O 1951474140 WKGMKQPUIWPCQF-CQSZACIVSA-N 302.374 3.070 10 10 DGCE C[C@@H]1CN(c2ccc(N)cc2)CC[C@H]1NC(=O)OC(C)(C)C 1959569368 SQKUSMWCSBNPAU-IUODEOHRSA-N 305.422 3.008 10 10 DGCE C[C@H]([C@@H](O)c1ccc(N(C)C)cc1)N(C)C(=O)OC(C)(C)C 1959572604 YDCOAIHUCSHMKX-IUODEOHRSA-N 308.422 3.041 10 10 DGCE CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CN(c1ccc(N)cc1)C2 1993502347 JDNNFLCOXBUDCE-FZKQIMNGSA-N 317.433 3.010 10 10 DGCE Cc1ccc(CN[C@@H](C)C(C)(C)NC(=O)OC(C)(C)C)c(O)c1 1994458839 ZLYJWPCWXYFMHU-ZDUSSCGKSA-N 322.449 3.482 10 10 DGCE CCC1(NCc2ccc(F)cc2O)CN(C(=O)OC(C)(C)C)C1 1994523718 BLBDFCYQSKYOOJ-UHFFFAOYSA-N 324.396 3.020 10 10 DGCE C[C@H](O)c1ccc(N2CC(C)(CF)C2)cc1Br 2008691727 JIMCGULBJVUDCA-VIFPVBQESA-N 302.187 3.298 10 10 DGCE CO[C@H]1CCCN(Cc2cc(Br)ccc2O)[C@H]1C 2037811768 IUXKWMPCVJEDBG-HZMBPMFUSA-N 314.223 3.154 10 10 DGCE CC(C)N1CCC[C@@H](Nc2c(N)cccc2Br)C1 2040903810 TUZGLLVFGIPHDB-LLVKDONJSA-N 312.255 3.316 10 10 DGCE COc1ccc2cc(C(=O)C(=O)c3ccnc(F)c3)ccc2c1 2059921027 RWYUPZLBJGXNSL-UHFFFAOYSA-N 309.296 3.448 10 10 DGCE COc1cnn(Cc2c(O)cccc2Br)c1Cl 2070301769 MAYYJCOGQDPVHU-UHFFFAOYSA-N 317.570 3.062 10 10 DGCE O=S(=O)(Nc1ccc(O)cc1Cl)c1c(F)cccc1F 2145850777 HOTFWKALHJVZHR-UHFFFAOYSA-N 319.716 3.125 10 10 DGCE COCCOCCCN(C)[C@H](C)c1ccc(Cl)cc1O 2203336953 DNJCDBXGGQXAIW-GFCCVEGCSA-N 301.814 3.092 10 10 DGCE CCOCCCN1C(=O)C(=Cc2ccsc2)SC1=S 2323791474 LFIDFDBMVPECAP-UHFFFAOYSA-N 313.469 3.376 10 10 DGCE Cc1cc(N2CC[C@H](SC(F)F)C2)ccc1C[C@H](C)N 2365649843 JNTYWCVWYBWUMR-FZMZJTMJSA-N 300.418 3.419 10 10 DGCE CCCN[C@@](CO)(CSc1nccs1)[C@H]1CC12CCC2 2371098076 YXTWXQQIKAUOOP-WFASDCNBSA-N 312.504 3.156 10 10 DGCE Nc1ccc(CS(=O)(=O)Nc2cccc(Cl)c2F)cc1 20472035 MNOCMIVSEUDLAP-UHFFFAOYSA-N 314.769 3.003 10 10 DGCE CCN1C=Cc2ccc(C)cc2/C1=C1\SC(=S)NC1=O 103592022 SWEDOSHAXWCQMX-OUKQBFOZSA-N 302.424 3.118 10 10 DGCE CN(C)c1ccc(CNC(=O)NC[C@@H]2C[C@H]2c2ccccc2)cc1 111424012 BRKUAKNYEJLLKA-HKUYNNGSSA-N 323.440 3.356 10 10 DGCE Cc1ccc(N(C)C(=O)/C=C/c2cnn(C)c2C)cc1Cl 121164009 OEBYELVAKLKOMY-SOFGYWHQSA-N 303.793 3.367 10 10 DGCE CCc1ccccc1C(=O)N1CCN(c2ccc(OC)cc2)CC1 178274853 GMNDUFNRSJVXEO-UHFFFAOYSA-N 324.424 3.220 10 10 DGCE O=[N+]([O-])c1cc(CNCCc2ccccc2)c(O)c2ncccc12 196738882 NMDIDTZYNXYNOW-UHFFFAOYSA-N 323.352 3.181 10 10 DGCE CCCO[C@H]1CCCN(Cc2cc(Cl)cc(OC)c2O)C1 228631095 OFPJRUKVKFOVAA-AWEZNQCLSA-N 313.825 3.445 10 10 DGCE C[C@H](NC[C@H]1CC[C@@H](O)C1)c1ccc(N2CCCCC2)cc1 248952239 AAANIIBVOSMLOT-TXPKVOOTSA-N 302.462 3.489 10 10 DGCE COc1ccc(NC(=S)NCc2ncc(C)cc2C)cc1 253465749 LHERIOCCCSWDJS-UHFFFAOYSA-N 301.415 3.194 10 10 DGCE C[C@@H](NCc1ccnc(OC(F)F)c1)c1cc(F)ccc1O 284527177 ZRMQKHPXRNCUEG-SECBINFHSA-N 312.291 3.379 10 10 DGCE CC[C@H](N[C@@H](CC)[C@H](O)C(F)F)c1ccc(N(C)C)cc1 296316672 GQEPLYPCYNMDDD-KKUMJFAQSA-N 300.393 3.198 10 10 DGCE Cc1ccc([C@H](C)NC/C=C\CNC(=O)OC(C)(C)C)c(O)c1 309694438 OSBXRNNWVHCJNZ-AFNCTOJWSA-N 320.433 3.432 10 10 DGCE N[C@H](CCCC(=O)O)c1ccc(OCc2ccccc2)cc1O 309735303 QKZIFAIUYAUNOF-MRXNPFEDSA-N 315.369 3.226 10 10 DGCE O=C(NCc1cc(Cl)sc1Cl)c1ccc(O)c(O)c1 312795424 AGHBYNFCSFUNED-UHFFFAOYSA-N 318.181 3.396 10 10 DGCE Cc1cc(Br)cc(CN(C)[C@@H]2CO[C@@H](C)C2)c1O 401362726 CWLFZABXJRPGBV-GWCFXTLKSA-N 314.223 3.072 10 10 DGCE CCC[C@H]1COC[C@@H]1NCc1cc(Br)ccc1O 710999082 MGOULCXZKQLZSI-GWCFXTLKSA-N 314.223 3.059 10 10 DGCE C[C@@H](O)c1ccc(N2CC[C@@H](CF)C2)c(Br)c1 711426792 KGQOXCCKULNBNM-ZJUUUORDSA-N 302.187 3.298 10 10 DGCE Oc1c(F)cc(Br)cc1CN[C@H]1C[C@@H]1C1CC1 715744631 JNFGMIKARRRLHM-PWSUYJOCSA-N 300.171 3.182 10 10 DGCE Oc1ccc(Cl)cc1CN1CCC[C@@H](NCc2ccoc2)C1 733334118 ATJSMUWZDUCQPW-MRXNPFEDSA-N 320.820 3.393 10 10 DGCE Cc1ccc(/C=C\C(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)cn1 754415128 BQWIRLCFRFPAOG-WAYWQWQTSA-N 323.352 3.209 10 10 DGCE CC[C@H](NC1CCC(C(N)=O)CC1)c1cc(Cl)ccc1O 775525991 YVXJOAHTFFCECV-OVGLSYRBSA-N 310.825 3.130 10 10 DGCE COc1ccc(O)c(CN[C@H](C)[C@H]2Oc3ccccc3[C@H]2C)c1 776231154 NLTBDZFXMXAPHR-VPZZIHKRSA-N 313.397 3.444 10 10 DGCE CCOc1ccc(O)c(CNCC2([C@@H](C)CCO)CCC2)c1 776257110 IDPVNOCHBFFBJO-AWEZNQCLSA-N 307.434 3.069 10 10 DGCE Cc1cc([C@@H](C)NC(=O)c2ccc(C)c(O)c2O)ccc1F 780963699 CCHJEZRRMXJDCA-LLVKDONJSA-N 303.333 3.345 10 10 DGCE Fc1cc(CNCCC2(F)CCC2)ccc1N1CCOCC1 808427336 OEXMZDLEBKRQBS-UHFFFAOYSA-N 310.388 3.034 10 10 DGCE COc1ccc(N2CCCN(C(=O)C(F)=C3CCC3)CC2)cc1 819139343 CPELYKIERLKFCA-UHFFFAOYSA-N 318.392 3.141 10 10 DGCE C[C@@H](COCC(F)(F)F)NC/C=C/c1ccc(N(C)C)cc1 835036562 LUQPVPHPXUQSFJ-IHVVCDCBSA-N 316.367 3.323 10 10 DGCE COc1cccc(CNCC(F)(F)c2ccc(F)cc2)c1O 850400459 FGLUULLDTRIQOH-UHFFFAOYSA-N 311.303 3.422 10 10 DGCE CC[C@@H](N[C@H](COC)C1CCOCC1)c1ccc(N(C)C)cc1 850491699 ILJZLHPBVQDPLK-RTBURBONSA-N 320.477 3.235 10 10 DGCE C[C@@H](NCC1(CC(N)=O)CCCCC1)c1ccc(F)cc1O 850573976 UNJDZMIAHDDYPV-GFCCVEGCSA-N 308.397 3.008 10 10 DGCE C[C@H](N[C@@H](c1ccccc1)[C@@H](C)O)c1cc(F)cc(F)c1O 850583621 MSGLHRLTGUIBDV-LYOVBCGYSA-N 307.340 3.443 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 854949827 XKQFOKPLBZONHJ-QMCVQRASSA-N 300.446 3.154 10 10 DGCE Cc1cc(N(C)C)ccc1CNC[C@@H]1Cc2ccccc2CO1 862435915 PQECZXYTGVSXBN-FQEVSTJZSA-N 310.441 3.292 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](c1ccccn1)C1CCC1 862744829 IBYGHYFBCYBXNO-LHUXKHBRSA-N 324.380 3.164 10 10 DGCE CC(=O)NCCCCCSc1ncc(-c2ccccc2)n1C 916202902 HOIYIHONJDWWNO-UHFFFAOYSA-N 317.458 3.486 10 10 DGCE CCc1noc([C@H]2CC[C@H](NCc3ccc(OC)c(C)c3)C2)n1 922871401 FTKYLDOBRHLMPO-GJZGRUSLSA-N 315.417 3.375 10 10 DGCE COc1ccc(CNC[C@@]23CCC[C@@H]2C3)cc1Cn1cccn1 922963790 XTSAUFJZBAOOMX-MJGOQNOKSA-N 311.429 3.220 10 10 DGCE OC1CCN(c2ccc(CN[C@H]3C[C@H]4C=C[C@@H]3CC4)cc2)CC1 926725802 USHDTCLAQIPLDI-VPWXQRGCSA-N 312.457 3.092 10 10 DGCE CCN(CC)c1ccc(CN(C)Cc2cnn(CCF)c2)cc1 929183604 CCUPXVNOEAKBOG-UHFFFAOYSA-N 318.440 3.331 10 10 DGCE Cc1c(F)ccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1N 1138362231 BSUHAOCXCXXQLE-GFCCVEGCSA-N 315.392 3.273 10 10 DGCE CCOC(=O)CCN(Cc1ccc(N(C)C)c(C)c1)C(C)C 1195621925 FPJXEALZIBMAII-UHFFFAOYSA-N 306.450 3.225 10 10 DGCE COc1cccc(CNC(=O)NC[C@@H]2C[C@H]2C2CCCC2)c1O 1263780178 YDBMNWMQAWWUKK-GJZGRUSLSA-N 318.417 3.026 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N1CCCSc2ccccc21 1290606644 POYCNOVHUMMVOC-UHFFFAOYSA-N 315.394 3.169 10 10 DGCE COC(=O)c1cc(OCc2cccc(F)c2F)ccc1N(C)C 1459244658 YHCDHLUUZIULKJ-UHFFFAOYSA-N 321.323 3.396 10 10 DGCE COC(=O)c1cc(OCc2cccc(OC)c2)ccc1N(C)C 1559457059 YSCWLKRPYBYOAY-UHFFFAOYSA-N 315.369 3.127 10 10 DGCE CCOc1cccc(/C=C/C(=O)N(C)Cc2ccccc2O)c1 1588155770 FSUKFNLUYPBDID-VAWYXSNFSA-N 311.381 3.463 10 10 DGCE Cc1ccc(C(=O)NCc2ccc(O)cc2O)c(F)c1Cl 1630307022 RAHQYBVJJLPXHS-UHFFFAOYSA-N 309.724 3.129 10 10 DGCE O=C(NCc1cc(O)ccc1O)c1[nH]ccc1-c1ccccc1 1633599139 PVBMIVNOJFGOKW-UHFFFAOYSA-N 308.337 3.023 10 10 DGCE COc1cc(N2CC[C@@H](CC(C)C)C2)c([N+](=O)[O-])cc1OC 1651582724 HSOKABMIAOYGCE-LBPRGKRZSA-N 308.378 3.484 10 10 DGCE Cc1cc(=NC(=O)c2c(C)c3ccc(Cl)cc3n2C)[nH]o1 1858178182 UNIYJWKBNQXAQG-UHFFFAOYSA-N 303.749 3.111 10 10 DGCE Cc1nc(N(C)[C@@H](C)c2ccccc2O)ncc1Br 1877533275 QOWCIKNSVIAXFA-JTQLQIEISA-N 322.206 3.451 10 10 DGCE CN[C@@H](C)c1ccc(N2CCSC2)cc1Br 1902758441 NKSWVCSDPHPWAL-VIFPVBQESA-N 301.253 3.240 10 10 DGCE [N-]=[N+]=N[C@@H]1CCN(Cc2cc(Br)cc3c2OCC3)C1 1912156381 TZXWSJQIRAQRKQ-GFCCVEGCSA-N 323.194 3.269 10 10 DGCE COC[C@H]1CC[C@@H](NCc2ccc(Br)cc2O)C1 1918599518 GEPRVADSWAPVPV-GXFFZTMASA-N 314.223 3.059 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H](N)C[C@H]1c1ccc(Cl)cc1O 1952452642 NXLLEHOCFBEFLR-JQWIXIFHSA-N 312.797 3.055 10 10 DGCE Cc1cccc([C@@H]2[C@@H](C(=O)O)CCN2C(=O)OC(C)(C)C)c1O 1952824931 FYDMBZVAOOADFZ-QWHCGFSZSA-N 321.373 3.083 10 10 DGCE C[C@@H]([C@@H](O)c1ccc(N(C)C)cc1)N(C)C(=O)OC(C)(C)C 1959572605 YDCOAIHUCSHMKX-SWLSCSKDSA-N 308.422 3.041 10 10 DGCE CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(CCCCN=[N+]=[N-])C1 1962300069 PCJYKSAGMVRQKZ-CYBMUJFWSA-N 311.430 3.408 10 10 DGCE CC(C)(C)OC(=O)NCC1C[C@@H]2CC[C@H](C1)N2CCN=[N+]=[N-] 1962302259 YRMMCPHQOMRXGJ-YHWZYXNKSA-N 309.414 3.064 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](Nc3c(N)cccc3F)C[C@H]2C1 1977664964 RKVDQGREALSLRF-WDMOLILDSA-N 321.396 3.075 10 10 DGCE CCCN(CCNC(=O)OC(C)(C)C)CCc1ccc(N)cc1 1977917708 GTSKVYFOIQTXHI-UHFFFAOYSA-N 321.465 3.048 10 10 DGCE C[C@@H](N)c1ccc(N(C)CP(C)(C)=O)c(Br)c1 2021446750 GAQQDMLYEAUWJC-SECBINFHSA-N 319.183 3.485 10 10 DGCE NCc1cc(F)c(N2C[C@H]3CCC[C@H]2C3)cc1Br 2029147858 ITLUVSJEXHJRIE-ONGXEEELSA-N 313.214 3.426 10 10 DGCE CNCc1ccc(N2CCC[C@@](C)(F)C2)c(Br)c1 2034770992 ZWTNCAGCOFLRCR-CQSZACIVSA-N 315.230 3.497 10 10 DGCE CCNCc1ccc(N2CC(C)(CF)C2)c(Br)c1 2057933765 NXHOSABZSCHVCU-UHFFFAOYSA-N 315.230 3.354 10 10 DGCE NCc1cc(F)c(N2CCS[C@H]3CCC[C@@H]32)cc1Cl 2120882112 TVMPGFNDAXXBJF-JSGCOSHPSA-N 300.830 3.412 10 10 DGCE CCN1CCc2cc([C@H](O)c3ncc(SC)s3)ccc21 2163067797 AJAYTDNIWOSRTI-AWEZNQCLSA-N 306.456 3.329 10 10 DGCE Cc1nc(Cl)nc(Cl)c1CCN1CCC[C@@H]1CN=[N+]=[N-] 2179617300 SAPACJMOQLBBBW-SECBINFHSA-N 315.208 3.409 10 10 DGCE Cc1cc(Cl)nc(Cl)c1C(=O)N(C)CCCN=[N+]=[N-] 2277888000 HECZYMZFDQLUEM-UHFFFAOYSA-N 302.165 3.469 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)C=Cc2cccc(F)c2)c1 2301402188 OYVMKAMKKBGULV-LBPRGKRZSA-N 315.344 3.431 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)C=Cc2scnc2C)c1 2310141628 JAZALMAKLDZMRS-SNVBAGLBSA-N 318.398 3.056 10 10 DGCE CN1CCC(N(C)N=Nc2ccc([N+](=O)[O-])cc2Cl)CC1 2330197061 CHBVIDDKQGZZBR-UHFFFAOYSA-N 311.773 3.273 10 10 DGCE CN(Cc1ncc(C(F)F)s1)c1ccc(CO)cc1F 2369560551 WDYMFPWTCUSJEQ-UHFFFAOYSA-N 302.321 3.349 10 10 DGCE Cc1ccc(OC[C@@H](O)COc2ccc(N)cc2)c(Cl)c1 54349116 GOPDCIXPEIPKFM-ZDUSSCGKSA-N 307.777 3.049 10 10 DGCE CCOC(=O)[C@@H](NCCCN=[N+]=[N-])c1ccc(Cl)c(F)c1 90259799 CUPYWCFEGPAVKY-LBPRGKRZSA-N 314.748 3.373 10 10 DGCE CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C/c1cccs1 101675321 GBSRNZVSDLIHPD-NTEUORMPSA-N 319.426 3.467 10 10 DGCE Cc1cc(Br)cc(C(=O)NCc2ccc(N)cc2)c1 130601999 YVKVBOMYRZKYPE-UHFFFAOYSA-N 319.202 3.270 10 10 DGCE CCNCc1ccc(N(CCN(C)C)CC(C)C)c(Cl)c1 164032889 JTXVZNVRGCMDRD-UHFFFAOYSA-N 311.901 3.474 10 10 DGCE Nc1ccc2c(ccn2Cc2ccc(Br)cn2)c1 166926016 WBSPRQHVLXNRKT-UHFFFAOYSA-N 302.175 3.429 10 10 DGCE CCN(CC)c1ccc(CNC(=O)Nc2cc(C)no2)cc1 171149353 NBYMSNQUPRQZID-UHFFFAOYSA-N 302.378 3.151 10 10 DGCE CSCCC(=O)N(Cc1ccco1)Cc1ccccc1O 173668801 DEOWZCPMLIKXTR-UHFFFAOYSA-N 305.399 3.267 10 10 DGCE CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F 175503965 FESYZYIQNNLPQR-ZIAGYGMSSA-N 317.335 3.433 10 10 DGCE Cc1cc(Cl)cc(CN2CCC(CC(=O)N(C)C)CC2)c1O 180333727 QGWGHXYTRWPPKZ-UHFFFAOYSA-N 324.852 3.044 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)N1CC=C(c2ccccc2)CC1 180883430 KORSGVZSQUPGAC-VQHVLOKHSA-N 321.376 3.427 10 10 DGCE COCc1ccsc1C(=O)N[C@H](C)c1cc(OC)ccc1O 182507568 DOAQZFFKFJAEDA-SNVBAGLBSA-N 321.398 3.100 10 10 DGCE Cc1cccc(CN[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)c1O 227631687 VKYOYLHIGZNPBG-GJZGRUSLSA-N 320.433 3.236 10 10 DGCE CN(CC1CC1)c1ccc(/C=C/C(=O)O)cc1Br 234289479 PDBIYVBINPGWMZ-FNORWQNLSA-N 310.191 3.393 10 10 DGCE COc1ccc(CNC2(c3noc(C)n3)CCCC2)cc1C 299557963 DPRQYLABALZKEO-UHFFFAOYSA-N 301.390 3.254 10 10 DGCE CC[C@H](C)N(Cc1ccccc1)c1ccc2c(c1)NC(=O)[C@@H]2N 387345292 HNLIKKFPCJCKAZ-SCLBCKFNSA-N 309.413 3.444 10 10 DGCE C[C@@H]1CN(Cc2ccccc2)C[C@H]1NCc1ccc(N(C)C)cc1 389874841 SKAXKXRXIWQHLR-DYESRHJHSA-N 323.484 3.363 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2c(c1)CCCN2 391782209 ZJFZKDCLVJMTNA-UHFFFAOYSA-N 323.440 3.383 10 10 DGCE CO[C@H]1CN(Cc2c(O)cccc2Br)CC[C@@H]1C 707138782 HFJUOGGRWKFGKI-HZMBPMFUSA-N 314.223 3.012 10 10 DGCE Oc1c(Br)cc(Cl)cc1CNCCOC1CC1 715032889 FNZRYKHWNSFCNS-UHFFFAOYSA-N 320.614 3.077 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@H]3[C@H](C2)C3(F)F)cc1Br 715487874 BVPBRSONGHRJRP-GGVZMXCHSA-N 317.177 3.170 10 10 DGCE CCOc1ccc(O)c(CN2CCC[C@@]3(CCCOC3)C2)c1 769483264 HHPMGUIMRWZUOL-GOSISDBHSA-N 305.418 3.184 10 10 DGCE CN1CCCc2cc(CN[C@@H]3CCN(C)[C@H]4CCC[C@@H]43)ccc21 796726879 GIUFSKXTQIACGC-GGPKGHCWSA-N 313.489 3.031 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCOC[C@@H]1C 802304662 JGRYFCCKJNAKMH-HOCLYGCPSA-N 320.433 3.129 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)NCCCCF)cc1 812927249 VYJCXRYDDFLCHP-UHFFFAOYSA-N 309.429 3.424 10 10 DGCE CN1CCN(c2ccc(CN3CCC[C@@H](CCF)C3)cc2)CC1 827270787 FZHYKAXNHNFGFI-KRWDZBQOSA-N 319.468 3.010 10 10 DGCE Cc1ccc([C@@H]2CCN(C(=O)c3c(F)ccc(O)c3O)C2)cc1 828316806 NSLAJWIWSCLQSS-CYBMUJFWSA-N 315.344 3.175 10 10 DGCE C[C@H](CNC/C=C/c1ccc(N(C)C)cc1)CN1CCCC1 835034828 FKLFJUZNUATPEZ-DKRLNXSXSA-N 301.478 3.087 10 10 DGCE C[C@H](F)CCNC(=O)NCc1cc(Cl)cc(Cl)c1O 836480384 GUQPLMZXUMIHTR-ZETCQYMHSA-N 309.168 3.246 10 10 DGCE C[C@H](O)[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccccc1 850419495 FTIIERRDEIXJNE-UGSOOPFHSA-N 302.393 3.103 10 10 DGCE COc1ccc(N2CC[C@@H](Nc3ccccc3[N+](=O)[O-])C2)cc1 853758716 JREGKOQZMYXUNA-CYBMUJFWSA-N 313.357 3.294 10 10 DGCE CC(C)[C@H](N)CCN[C@@H](C)c1ccc(Br)cc1O 854230475 RCDPHFFDPAVBGR-GXFFZTMASA-N 315.255 3.179 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)CC(C)(C)C)C2)cc1 855225975 MMCMGSPPHYXBAE-HUUCEWRRSA-N 318.461 3.462 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)N[C@H]1CCCc2c[nH]nc21 857868855 DXXIYUIJDWXHOL-KSSFIOAISA-N 312.461 3.382 10 10 DGCE CC(C)(C)c1nc(C(=O)N2Cc3cccc(O)c3C2)cs1 871200393 BNQGEOREGVDWFZ-UHFFFAOYSA-N 302.399 3.302 10 10 DGCE CC[C@@H](Oc1cccc(C)c1)C(=O)N1Cc2cccc(O)c2C1 871202645 DEVHFNMEYGWIGE-GOSISDBHSA-N 311.381 3.400 10 10 DGCE Cc1cnc(Cl)c(/C=C2/SC(N3CCCCC3)=NC2=O)c1 901435959 LNGXKKPXPQOZTE-XYOKQWHBSA-N 321.833 3.500 10 10 DGCE C[C@@H]1CNC[C@H]1CCN[C@H](C)c1cc2c(cc1O)CCCC2 925794354 DJCJHKVHICQPCV-CKEIUWERSA-N 302.462 3.167 10 10 DGCE Cc1ccn(C[C@@H](C)C(=O)NCc2c(O)ccc3ccccc23)n1 1157049641 BLNFVDDXFYHXBB-CYBMUJFWSA-N 323.396 3.003 10 10 DGCE CC(C)CC[C@@H]1CCCCN1C(=O)Cc1ccc(O)c(O)c1 1295005022 RMJOESMVWSCSRY-HNNXBMFYSA-N 305.418 3.458 10 10 DGCE C[C@@H](Cc1cccc(Cl)c1)C(=O)NCc1cc(O)ccc1O 1455357948 YLDKQUGGBHDAJH-NSHDSACASA-N 319.788 3.246 10 10 DGCE O=C(NCc1cccc(Cl)c1O)NCC1(CC2CC2)CC1 1565280122 AATHBNSNSRIBKU-UHFFFAOYSA-N 308.809 3.425 10 10 DGCE Cc1cc(C(=O)N[C@H](C)c2ccccc2O)cc([N+](=O)[O-])c1 1635794163 YMFRXLXNVUJSBV-LLVKDONJSA-N 300.314 3.100 10 10 DGCE O=C(Nc1ccc(OCC2CC2)cc1)c1c(F)ccc(O)c1O 1641272642 KDBOXCFHYCALEW-UHFFFAOYSA-N 317.316 3.278 10 10 DGCE C[C@@H](N[C@H](C)c1ccccc1O)c1nc(O)c2ccccc2n1 1648054205 QBONXJHFBSPYMK-VXGBXAGGSA-N 309.369 3.453 10 10 DGCE COc1cccc(CN2CCOc3cc(N(C)C)ccc32)c1C 1654011240 LCSDMVJUYIFGPB-UHFFFAOYSA-N 312.413 3.469 10 10 DGCE COc1ccc(CNC[C@@H](C)NC(=O)C(C)(C)C(C)C)cc1C 1716396676 CDGMINDJKLIMNC-OAHLLOKOSA-N 320.477 3.280 10 10 DGCE Cc1ccc(-c2ccc(=Nc3cc([N+](=O)[O-])ccc3O)[nH]n2)cc1 1859842815 NGZKBWFKBXYYEE-UHFFFAOYSA-N 322.324 3.231 10 10 DGCE CCC1=NN(CC(C)C)C(=O)/C1=C/c1ccc(C(=O)OC)cc1 1865675715 WLORRBMREINHBK-XNTDXEJSSA-N 314.385 3.121 10 10 DGCE C[C@H](N[C@H](C)CCNC(=O)OC(C)(C)C)c1ccccc1O 1928513471 RKOMXAAYHVGAAG-OLZOCXBDSA-N 308.422 3.346 10 10 DGCE C[C@@H](O)c1ccc(N(C)C2CSC2)cc1Br 1936308196 KODHYWKMHFQKTN-MRVPVSSYSA-N 302.237 3.054 10 10 DGCE CC(C)(C)OC(=O)N(CC[C@@H](N)c1ccccc1O)CC1CC1 1936967848 KZWXWYMMBJRXTO-OAHLLOKOSA-N 320.433 3.429 10 10 DGCE C[C@H](N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1cc(F)ccc1O 1938282349 PVMFEPKHFKHUBB-WCFLWFBJSA-N 324.396 3.238 10 10 DGCE Cc1ccc(O)c([C@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)O)c1 1951841418 ACAIPHRVDHOHTE-ZDUSSCGKSA-N 323.389 3.377 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC12CC(Nc1ccc(N)cc1)C2 1959362860 HYMCLVADGPIPMM-XOYHFGRZSA-N 303.406 3.127 10 10 DGCE C[C@@H]1CN(CCCCN=[N+]=[N-])C[C@H]1CNC(=O)OC(C)(C)C 1962287342 HQFNKBCTBQZZSX-CHWSQXEVSA-N 311.430 3.170 10 10 DGCE CC(C)OC(C)(C)CNCc1c(O)cccc1Br 1964072141 GYYVYANYIWLINC-UHFFFAOYSA-N 316.239 3.448 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CCCN(Cc2ccc(N)cc2)CC1 1977919891 CMLMPABTZGEQML-INIZCTEOSA-N 319.449 3.148 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@H]2[C@@H](N)c1ccccc1O 1978356642 PRAYFCMPNHDAJV-XTBFLFJDSA-N 318.417 3.038 10 10 DGCE CN(C)CCN(Cc1ccccc1)c1ccc2c(c1)CC[C@H]2O 1986603420 WNABHXGVFRDHAU-HXUWFJFHSA-N 310.441 3.234 10 10 DGCE C[C@H](F)[C@H]1CCCN1Cc1ccc(Br)cc1O 2010592312 VRWYCKMMLZAZKZ-JOYOIKCWSA-N 302.187 3.477 10 10 DGCE CC1CC(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)C1 2036294939 IYDIANCKLHMYCJ-UHFFFAOYSA-N 310.202 3.239 10 10 DGCE CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(O)c(O)c1 2062267313 JOJQBTPNVAYGLY-UHFFFAOYSA-N 315.369 3.413 10 10 DGCE COc1cccc(O)c1[C@H](C)n1nccc1C(=O)OC(C)(C)C 2069967389 JIIMEOUATJAYCZ-NSHDSACASA-N 318.373 3.162 10 10 DGCE CN(C)c1ccc([C@H](O)c2ccc(N)c(Br)c2)cc1 2106800001 CLWSZJOVOOIAKA-HNNXBMFYSA-N 321.218 3.179 10 10 DGCE CN1CCc2cc([C@@H](O)[C@@H](N)c3ccc(Cl)s3)ccc21 2147648847 JQHKPIBSTQEQOF-LSDHHAIUSA-N 308.834 3.127 10 10 DGCE CN(Cc1ccc(N)cc1)C(=O)CSCc1cccs1 2148887764 JHFBPKFTKXJXFC-UHFFFAOYSA-N 306.456 3.222 10 10 DGCE CN[C@@H](c1ccc(N(C)C)cc1)[C@@H](O)c1cscc1Cl 2163132401 BIFGZZZQNUDVPW-GJZGRUSLSA-N 310.850 3.462 10 10 DGCE CCc1ccccc1S(=O)(=O)Nc1ccc(O)cc1Cl 2175287021 XDQPNBKAJHCACP-UHFFFAOYSA-N 311.790 3.409 10 10 DGCE COc1cc(Cl)cc(CNC[C@H]2C[C@]2(C)C(F)F)c1O 2177407747 PCZYFOZSZJZTBE-OTYXRUKQSA-N 305.752 3.435 10 10 DGCE CN[C@H](C)c1ccc(N(CC(F)F)C2COC2)c(Cl)c1 2196634604 XCSIMMUOQIYHFM-SECBINFHSA-N 304.768 3.091 10 10 DGCE COc1ccc(N2CCN[C@@H](CC(F)(F)F)C2)cc1Cl 2203003691 WCFBWKUOVZRHJB-VIFPVBQESA-N 308.731 3.079 10 10 DGCE CS(=O)(=O)c1cscc1NCc1c(O)cccc1Cl 2272846414 VFQZQYHJFNQKPM-UHFFFAOYSA-N 317.819 3.123 10 10 DGCE COc1c([C@H](NN)c2ccc(N(C)C)cc2)csc1Cl 2284265224 SVSPEGFYKCKINB-GFCCVEGCSA-N 311.838 3.029 10 10 DGCE C[C@@H](N)c1ccc(N2CCO[C@@H](P(C)(C)=O)C2)cc1Cl 2289307263 RJLMEPIMAKELSK-YGRLFVJLSA-N 316.769 3.145 10 10 DGCE Cc1cccn2c(N=Nc3cccc(O)c3)c(CC(=O)O)nc12 2320767919 RCLVKJUIJVFITI-UHFFFAOYSA-N 310.313 3.391 10 10 DGCE COc1ccc(N2CCCCC2)cc1NC(=O)c1cccnc1 41364884 HMYOJIASUBRULF-UHFFFAOYSA-N 311.385 3.333 10 10 DGCE C[C@H](Cc1ccccc1F)NC(=O)N(C)Cc1ccccc1O 54623250 FSUMAWRKIVOLRY-CYBMUJFWSA-N 316.376 3.304 10 10 DGCE CCNCc1ccc(OC)c(C[S@](=O)c2ccccc2)c1 82001215 UFHQRKGAGCPXAN-OAQYLSRUSA-N 303.427 3.113 10 10 DGCE COc1cccc(CN(C)CCOc2ccc(C)cc2)c1O 121504782 VVLWUPDYAIKEQN-UHFFFAOYSA-N 301.386 3.220 10 10 DGCE O=C(C[C@H](O)c1ccccc1)NCc1ccc(N2CCCC2)cc1 179685077 HCQZCOZBZZZGRC-IBGZPJMESA-N 324.424 3.027 10 10 DGCE COC(=O)[C@]1(C)CCCN1Cc1ccc(N2CCCCC2)cc1 189991837 JJVJCXZFGHKROJ-IBGZPJMESA-N 316.445 3.204 10 10 DGCE Cc1nccn1C[C@@H]1CCCN1Cc1c(O)ccc(Cl)c1F 191425895 DDXWXSKCBQXXPP-LBPRGKRZSA-N 323.799 3.354 10 10 DGCE C[C@@H](NC/C=C/CNC(=O)OC(C)(C)C)c1cc(F)ccc1O 227760440 KOHADDNWWVHWIS-BTDICHCPSA-N 324.396 3.263 10 10 DGCE COc1ccc(O)c(CNc2ccc(Br)nc2C)c1 234968804 XTLOAQVQXWQSEX-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE Nc1ccc(O)c(CNC(=O)c2cc(Cl)sc2Cl)c1 236365620 MOIRARHMGUECLA-UHFFFAOYSA-N 317.197 3.273 10 10 DGCE COC(=O)c1ccc(CN(C)c2ccc(OC)c(Cl)c2)nc1 286376334 KEXRSSRZBGCGDR-UHFFFAOYSA-N 320.776 3.167 10 10 DGCE CCN(CC)c1ccc(CNC(=O)C2(CCF)CC2)cc1F 290773958 LEQGBJZXKGVXHW-UHFFFAOYSA-N 310.388 3.428 10 10 DGCE Cc1cc(C(=O)N2CCC[C@](C)(F)C2)c(C)n1-c1ccccn1 295214303 AWBYVYTZDWLLOR-SFHVURJKSA-N 315.392 3.453 10 10 DGCE Nc1ccc(OCCC(=O)NCc2ccsc2Cl)cc1 312873541 IBPRZMFRGONNJJ-UHFFFAOYSA-N 310.806 3.069 10 10 DGCE O=C(O)/C=C\c1ccc(N2CC[C@H](F)C2)cc1Br 689862977 IHPBWRSESQKKAJ-GQPNGRKGSA-N 314.154 3.095 10 10 DGCE [N-]=[N+]=NCCNC(=O)COc1cc(Cl)c(Cl)cc1Cl 706390051 SJQTUVXNVOYIPO-UHFFFAOYSA-N 323.567 3.452 10 10 DGCE C[C@@H](N)c1ccc(N2CCS[C@@H](C(F)(F)F)C2)c(F)c1 721389587 NFXLHRBUNCNSCA-PRHODGIISA-N 308.344 3.330 10 10 DGCE C[C@H]1C[C@H]1CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 725848623 YZCVVWVOKPVATQ-ZFWWWQNUSA-N 303.406 3.331 10 10 DGCE CCN(CC)c1ccc(CNCCN2CCCC[C@H]2C)cc1 727643708 HEXBYSIXKFKGKT-QGZVFWFLSA-N 303.494 3.497 10 10 DGCE Cc1cc(CCNC(=O)c2ccn(C)c2)c(C)n1-c1ccccc1 763211379 KBRKIDUNXSQGPX-UHFFFAOYSA-N 321.424 3.405 10 10 DGCE Cc1cnc(C)c(NCc2cc(Br)ccc2O)n1 804827965 GBZBMTJTPQYNPA-UHFFFAOYSA-N 308.179 3.174 10 10 DGCE CO[C@@H]1[C@H]2C[C@@H]3CN(Cc4cc(Cl)cc(C)c4O)[C@H]1[C@H]3C2 809698532 ZLHXRWJOPZGNSC-ZWOLRJANSA-N 307.821 3.209 10 10 DGCE CCOc1ccc(O)c(CN[C@@H]2COc3c(C)cccc3C2)c1 810177679 BZOLLFRAMCBASJ-INIZCTEOSA-N 313.397 3.193 10 10 DGCE C[C@@H]1C[C@H](N(C)C/C=C\c2ccc(N(C)C)cc2)CCN1C 835026370 RYKOAQRJASQUJP-QXJVMSCWSA-N 301.478 3.180 10 10 DGCE CCC1(CO)CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 835026521 UEQIBAHDMPVGQE-WAYWQWQTSA-N 302.462 3.250 10 10 DGCE CN(C)c1ccc(/C=C\CNC[C@H](CO)Cc2ccccc2)cc1 835035164 HSHMJSUDVBHHFT-QKWWCAPFSA-N 324.468 3.207 10 10 DGCE CCCC[C@](C)(CO)NCc1cccc(Br)c1O 842745748 FUTYHBWHQREBHA-CQSZACIVSA-N 316.239 3.186 10 10 DGCE CCOc1ccc(O)c(CNCC[C@@H]2CC2(Cl)Cl)c1 856807379 NWWNGRZNGPNKCW-LLVKDONJSA-N 304.217 3.464 10 10 DGCE Cn1cc(CCN[C@H]2CCc3cccc(O)c32)c2cccnc21 866572596 CPVJBDUWHKDFAC-INIZCTEOSA-N 307.397 3.099 10 10 DGCE O=C(NCc1ccccc1O)[C@H](Cc1cccnc1)C1CCCC1 866755900 OGYBRUFFNUWLMM-GOSISDBHSA-N 324.424 3.453 10 10 DGCE C[C@@H](NCc1cc(Br)ccc1O)c1cncs1 897934404 IXPAXEOIVXEIOT-MRVPVSSYSA-N 313.220 3.462 10 10 DGCE CN(C[C@@H]1CC1(C)C)C(=O)c1cc2cc(O)c(O)cc2s1 899019073 DUTAXKVFOFBKHZ-JTQLQIEISA-N 305.399 3.431 10 10 DGCE COC(=O)/C=C\c1ccc(N2CCC[C@@H]2C(C)C)c([N+](=O)[O-])c1 920487297 SRYSAIDONYYDBY-IUCKJTJTSA-N 318.373 3.406 10 10 DGCE CC(C)=CCNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C 1469786458 VOQKBBZHZABXNH-HNNXBMFYSA-N 303.450 3.257 10 10 DGCE CCN(C)c1ccc(CN2CCN(C)C[C@@H]2CC(C)C)cc1 1473825009 YQJQGCKFNPLQBD-IBGZPJMESA-N 303.494 3.305 10 10 DGCE Cc1cccc(-n2c(C)cc(CNC(=O)COC3CC3)c2C)c1 1624075477 PWVOJFBLTHMJFV-UHFFFAOYSA-N 312.413 3.198 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)c1cc2ncccc2o1 1627073503 PXPGBOOAXMDDGV-UHFFFAOYSA-N 319.320 3.012 10 10 DGCE O=C(NCc1c(O)cccc1F)C(F)(F)Cc1ccccc1 1635367105 ZBUHPWLXELTYDH-UHFFFAOYSA-N 309.287 3.026 10 10 DGCE COC(=O)CN(CC1=CCCC1)Cc1cc(Cl)ccc1O 1642072273 XLEXIUQEYPGNLB-UHFFFAOYSA-N 309.793 3.131 10 10 DGCE C/C(=C\c1ccc(Cl)cc1)C(=O)NCc1cccc(O)c1O 1644710827 KOJPRBQQBDOQDI-PKNBQFBNSA-N 317.772 3.471 10 10 DGCE CCCCOc1ccc(C(=O)NCc2c(O)cccc2O)cc1 1647178322 ODCXJWVDTXZBLT-UHFFFAOYSA-N 315.369 3.207 10 10 DGCE C[C@@H]1C[C@@H](C)CN(/N=N/c2ccc(N3CCN(C)CC3)cc2)C1 1860486306 WWQBWHQKRUHTIH-KZLHXAFESA-N 315.465 3.415 10 10 DGCE CCCN1N=C(C(F)(F)F)/C(=C/c2ccc(F)cc2)C1=O 1865677626 UPVDFCRANXPPRO-FLIBITNWSA-N 300.255 3.380 10 10 DGCE Nc1ccc(Oc2ccc(NC(=O)c3cncc(N)c3)cc2)cc1 1866001951 BVLNRULPPRNBQU-UHFFFAOYSA-N 320.352 3.291 10 10 DGCE CC[C@@](C)(O)CN(Cc1ccccc1)c1ccc(OC)cc1N 1915142474 DBHBWAOPUUWWPR-LJQANCHMSA-N 314.429 3.445 10 10 DGCE CC(C)(C)OC(=O)N[C@H]([C@@H](N)c1ccccc1O)C(C)(C)C 1928468889 BGFLCXVBLAERCQ-UONOGXRCSA-N 308.422 3.331 10 10 DGCE Cc1csc(C(=O)NCCCN=[N+]=[N-])c1Br 1939867135 LUUTWWFWPBVIBT-UHFFFAOYSA-N 303.185 3.249 10 10 DGCE CC(C)(C)OC(=O)Nc1ccc([C@@H]2NCCCCC2=O)c(O)c1 1952707589 FSMIEFPKIWWQIC-HNNXBMFYSA-N 320.389 3.123 10 10 DGCE C[C@@H](c1ccc(F)cc1O)N(Cc1ccccc1)C1CNC1 1958648169 GQYADVHZOMBFHZ-ZDUSSCGKSA-N 300.377 3.066 10 10 DGCE CO[C@@H]1[C@@H](NCc2cccc(Br)c2O)CC1(C)C 1974300295 SGDOFMNNFOQNAV-WCQYABFASA-N 314.223 3.058 10 10 DGCE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)c1ccc(N2CCCC2)cc1 1977932924 AHTODDJMWYHBEG-XJKSGUPXSA-N 320.433 3.233 10 10 DGCE C[C@H](O)c1ccc(N2C[C@@H](F)C[C@@H]2C)cc1Br 1997691121 HNJMSEVDVOBWFH-GUBZILKMSA-N 302.187 3.439 10 10 DGCE OCc1ccc(N2CC[C@H](CCF)C2)c(Br)c1 2001380195 DRRNGUPEQGMOAK-JTQLQIEISA-N 302.187 3.127 10 10 DGCE CN(c1ccc(CN)cc1Br)[C@@H]1CCC[C@H]1F 2006795302 RKFOQEDMWAPVEV-DGCLKSJQSA-N 301.203 3.235 10 10 DGCE Oc1c(Br)cccc1CNc1cnn(C2CC2)c1 2035762088 VVERJYBMGAHOPP-UHFFFAOYSA-N 308.179 3.298 10 10 DGCE CC[C@@H](COC)N(C)c1ccc(CNC)c(Br)c1 2047311590 HXMVRNOWWYGYQQ-LBPRGKRZSA-N 315.255 3.030 10 10 DGCE C[C@@H]1CN(c2ccc(CN)c(Br)c2)CCC1(F)F 2085356989 XDWGSMVPEWFAOW-SECBINFHSA-N 319.193 3.389 10 10 DGCE Cc1cc(CCNCc2cccc(Br)c2O)ccn1 2091815002 YNCICEXBKBADID-UHFFFAOYSA-N 321.218 3.190 10 10 DGCE Cc1nc([C@H](O)c2ccc(N(C)C)cc2)ccc1Br 2100778354 QUQUCEZIXGMQTH-OAHLLOKOSA-N 321.218 3.300 10 10 DGCE CNCc1ccc(N(C)C2[C@@H]3C[C@@H]3[C@H]3C[C@@H]23)cc1Br 2110309972 QMQGDLVGMRWMKY-AAVRWANBSA-N 321.262 3.259 10 10 DGCE Cc1cccc(CNC(=O)c2cccc(Br)c2)c1O 2139750810 MJXUKMCKPHODFT-UHFFFAOYSA-N 320.186 3.393 10 10 DGCE CCCNCc1ccc(N2C[C@H](OC)[C@H](F)C2)c(Cl)c1 2146485403 VQDIPORKQJIZFS-HIFRSBDPSA-N 300.805 3.013 10 10 DGCE Oc1cccc(Cl)c1CNCc1cnn(C(F)(F)F)c1 2175134864 YUHDCZWSNIEWAZ-UHFFFAOYSA-N 305.687 3.008 10 10 DGCE CCCN1C[C@H]2C[C@H]1CN2Cc1cc(Cl)cc(Cl)c1O 2187557448 IZYNTWWMMGGBLJ-QWHCGFSZSA-N 315.244 3.368 10 10 DGCE Oc1c(CN[C@H]2CS[C@H](C(F)(F)F)C2)ccc(F)c1F 2189246995 WAOCDRAJMNZICF-APPZFPTMSA-N 313.291 3.196 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(Cc2ncsc2Br)C1 2210634028 LYJYGKDASXHTQB-ZETCQYMHSA-N 302.201 3.180 10 10 DGCE Cc1c(Br)n[nH]c(=N[C@@H](C)c2ccccc2O)c1C 2226494685 LUQBVKWJPQQVBF-JTQLQIEISA-N 322.206 3.157 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@]12COC[C@H](C1)C2 2228111106 ZQFVOWRFMPQKPC-DEZZCRIOSA-N 302.201 3.215 10 10 DGCE C[C@@H](O)c1cc(F)c(N2CC(SC(F)(F)F)C2)c(F)c1 2237484780 PGQVTCZJEOXNGP-ZCFIWIBFSA-N 313.291 3.460 10 10 DGCE COc1cc([C@@H](O)Cc2ccc(N)cc2)ccc1Br 2266810850 BRLLVQNKTVZWCC-AWEZNQCLSA-N 322.202 3.316 10 10 DGCE CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=Cc1cccs1 2295170743 PPBOCHBCJJLLFH-UHFFFAOYSA-N 313.338 3.462 10 10 DGCE Cc1ccc(CN2C[C@@H](C)CCC2=O)c(O)c1Br 2327602339 HKILLIXKWBGAIT-VIFPVBQESA-N 312.207 3.222 10 10 DGCE CN(C)c1ccc(CNC(=O)N[C@H]2CCc3ccccc32)cc1 54401509 JIMWDOGNGLRZJP-SFHVURJKSA-N 309.413 3.239 10 10 DGCE Nc1ccc(CC[S@@](=O)c2cccc(Br)c2)cc1 55308932 KRNBSPKTZMHSDY-SFHVURJKSA-N 324.243 3.382 10 10 DGCE CCCNCc1ccc(N2C[C@@H](C)N(C)[C@H](C)C2)c(Cl)c1 127891365 TXIRAYVTBJMNJL-ZIAGYGMSSA-N 309.885 3.368 10 10 DGCE CCN(CC)c1ccc([C@@H](CN)NC(=O)OC(C)(C)C)cc1 145061993 DHOSQDQJAGYMCG-OAHLLOKOSA-N 307.438 3.057 10 10 DGCE O=C(NC(c1ccccc1)c1ccccc1)c1cc(O)nc(O)c1 170223108 OCIUAJRKDUFFFW-UHFFFAOYSA-N 320.348 3.012 10 10 DGCE CCN(CC)c1ccc(CNC(=O)N2CCS[C@@H](C)C2)cc1 171742226 MQARIDAJHBWTBG-AWEZNQCLSA-N 321.490 3.180 10 10 DGCE Cc1cc(C)c(N2CC[C@@H](NCc3ccccc3O)C2=O)c(C)c1 188942621 CWDPYCWIYVIJNF-QGZVFWFLSA-N 324.424 3.213 10 10 DGCE CCOc1cccc(CNCc2cc(F)ccc2OC)c1O 189208229 QCFCPEJSHPRMMD-UHFFFAOYSA-N 305.349 3.228 10 10 DGCE CC[C@@H](NC[C@H]1CCc2nccn2C1)c1ccc(N(C)C)cc1 278913153 GZYALINIOSFROP-CRAIPNDOSA-N 312.461 3.252 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@H]3C[C@H]2CS3)c(Br)c1 321327542 SNHHHOOIJCLVGA-DVVUODLYSA-N 313.264 3.163 10 10 DGCE C[C@H](NCc1cccc(Br)c1O)[C@@H]1CCCCO1 393685544 VYGZASINIYNAJU-GWCFXTLKSA-N 314.223 3.202 10 10 DGCE CCN(Cc1ccc(N)cc1)C(=O)[C@@H](C)OCc1ccccc1 404420533 IGKPXSZUFMASER-OAHLLOKOSA-N 312.413 3.223 10 10 DGCE C/C=C\C[C@H](CO)N[C@@H](C)c1cc(Br)ccc1O 588489792 ZUMHXGQEXISFSZ-OIFMLDNNSA-N 314.223 3.132 10 10 DGCE Cc1cncc(/C=C\C(=O)N2CCc3cc(F)c(F)cc32)c1 772062652 ZVBFGJHFECIFME-IHWYPQMZSA-N 300.308 3.271 10 10 DGCE CO[C@@H]1CCCN(Cc2cc(C)cc(Br)c2O)C1 781895764 DKTQBGXVEPJNJR-GFCCVEGCSA-N 314.223 3.074 10 10 DGCE O=C(/C=C/c1cncc(O)c1)N1CCCCc2sccc21 798047793 QVJDICDZDIYMGE-SNAWJCMRSA-N 300.383 3.231 10 10 DGCE CO[C@@H](C)c1nsc(N[C@H](C)c2ccc(N(C)C)cc2)n1 800864764 PXZGLEBXCYQSED-MNOVXSKESA-N 306.435 3.485 10 10 DGCE COc1cc(CN2[C@H]3CC[C@H]2[C@@H](CO)C3)c(O)c(C(C)(C)C)c1 811795959 KZPOHNURDCEZLU-KEYYUXOJSA-N 319.445 3.044 10 10 DGCE COc1ccc2c(c1)N(C(=O)/C=C/c1cccnc1C)C[C@H](C)O2 826562392 LONOACGZPHRAPE-PPGNKHEKSA-N 324.380 3.226 10 10 DGCE CC[C@H](C)C[C@H]1NC(=O)N([C@@H](C)c2ccc(N(C)C)cc2)C1=O 843307168 CXCCZFSLBWGVBS-HEHGZKQESA-N 317.433 3.170 10 10 DGCE COc1cccc([C@@H](C)NCC[C@@H](OC)C(F)(F)F)c1O 846162399 ARMQSIMHSZUJMF-BXKDBHETSA-N 307.312 3.019 10 10 DGCE Cc1cc(O)c(CN[C@H](C)C(=O)OCc2ccccc2)cc1C 848920923 MWUIGOZYYHIVIC-OAHLLOKOSA-N 313.397 3.231 10 10 DGCE Nc1ccc(CCNC(=O)NC2CCC3(CC2)CC3(F)F)cc1 851664565 FQMJJQVTLMZUDV-UHFFFAOYSA-N 323.387 3.079 10 10 DGCE c1cc(N2CCCCC2)ccc1CN[C@@H]1COC[C@@H]1C1CC1 898385880 GSUQDGHJUBDYIG-RTBURBONSA-N 300.446 3.192 10 10 DGCE Cc1ccc([C@H](C)NCc2cc(C(F)(F)F)nn2C)c(O)c1 926929325 UVZOEYBNHHEJSB-JTQLQIEISA-N 313.323 3.304 10 10 DGCE O=C(O)c1nc(N=Nc2cccc3ccccc23)[nH]c1C(=O)O 1083948733 TXWPBYVTBYPRJC-UHFFFAOYSA-N 310.269 3.375 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@H]1CC1(C)C 1230196309 YEQFDMUYDBAFIP-CJNGLKHVSA-N 303.450 3.090 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)Nc2c(O)cccc2Cl)cc1 1298550800 NWWMWMSCAGLEFN-UHFFFAOYSA-N 318.720 3.460 10 10 DGCE O=C(CCCF)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1355508983 PQAKVHNOBOCJIE-UHFFFAOYSA-N 311.312 3.150 10 10 DGCE CN(Cc1ccccc1O)C(=O)c1cc(-c2cccc(O)c2)on1 1465843328 ZCUJPLBAZKEBEH-UHFFFAOYSA-N 324.336 3.025 10 10 DGCE Cc1cnn(-c2ccc(C(=O)N[C@@H](C)c3ccccc3O)cc2)c1 1557967597 HKLYXIYZWTZNLI-AWEZNQCLSA-N 321.380 3.377 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2Cc1c(F)cccc1F 1559714153 LKYRHLBQYBCCHJ-UHFFFAOYSA-N 304.340 3.430 10 10 DGCE CCOC(=O)[C@H]1CCCN(/N=N/c2ccccc2OCC)C1 1860483998 UFKFEQKIBXTWGF-BZSIDJSBSA-N 305.378 3.359 10 10 DGCE CCOC(=O)CCN(C)/N=N/c1cccc(OC(F)(F)F)c1 1860487542 CNOWINZEGNLTBH-ISLYRVAYSA-N 319.283 3.469 10 10 DGCE CCOc1ccc(/C=C2/C(=O)N(c3ccccn3)N=C2C)cc1 1865669897 XPUAULIEFZNGEK-FOWTUZBSSA-N 307.353 3.286 10 10 DGCE C[C@@H](CC(=O)N1CC(N=[N+]=[N-])C1)c1ccc(Br)cc1 1912195823 HILFBDDQSLGMDY-VIFPVBQESA-N 323.194 3.464 10 10 DGCE CC[C@@]1(F)CCN(Cc2ccc(Br)cc2O)C1 1925583625 ONDHEKJHONTONS-CYBMUJFWSA-N 302.187 3.479 10 10 DGCE Cc1cc(Br)cc(CN2C[C@H](C)[C@@H](F)C2)c1O 1947371639 KKXPPOKULKZIIG-CABZTGNLSA-N 302.187 3.253 10 10 DGCE CN(CCCN=[N+]=[N-])[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 1962287203 GOQPYUADPRTOBK-CYBMUJFWSA-N 311.430 3.408 10 10 DGCE C[C@H]1CC[C@@H](CCNCc2ccc(Br)cc2O)O1 1965985568 SJLJRHDOUXNKCG-GWCFXTLKSA-N 314.223 3.202 10 10 DGCE Cc1cc(S(=O)(=O)Nc2cc(C)c(O)cc2C)c(C)s1 1968511449 HQEPFHOYSPYKBV-UHFFFAOYSA-N 311.428 3.488 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H]1CN(CCN=[N+]=[N-])CC1CC1 1982242758 QZXOJVRWEXLIEM-CQSZACIVSA-N 323.441 3.408 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN1Cc1sncc1Br 1984485261 IFQMTSXERFHRIV-SSDOTTSWSA-N 302.201 3.180 10 10 DGCE C[C@@H](N)c1ccc(N(C)CC2(F)CC2)c(Br)c1 2025730106 GMOYQJTWGHYUBE-SECBINFHSA-N 301.203 3.407 10 10 DGCE CN(Cc1ccccc1O)c1c(N)cccc1Br 2072461056 MVGCJJQOIKPGFW-UHFFFAOYSA-N 307.191 3.373 10 10 DGCE Nc1ccc(COc2cc(F)cc(Br)c2N)cc1 2078198928 BKIKJTFSNREXEA-UHFFFAOYSA-N 311.154 3.332 10 10 DGCE Cc1oc(Br)cc1[C@@H](O)c1ccc2c(c1)CCN2C 2106805089 JIPPDIAXSLTRMP-HNNXBMFYSA-N 322.202 3.425 10 10 DGCE CC(C)[C@@H](C(=O)O)N(C)Cc1cc(Cl)cc(Cl)c1O 2118368859 ZUIMEBNCBIDZBK-NSHDSACASA-N 306.189 3.240 10 10 DGCE CN[C@H](c1ccc(N2CCCC2)cc1)[C@H]1CSCCS1 2163093968 HJTNBYKCWDXODD-HZPDHXFCSA-N 308.516 3.396 10 10 DGCE CSc1ncc(CNc2cncc(Br)n2)s1 2243831506 BAOWGHKEHONTSI-UHFFFAOYSA-N 317.237 3.030 10 10 DGCE CSC1CC(NCc2ccc(C)c(Br)c2O)C1 2307479824 MNNKRKKURYLGJP-UHFFFAOYSA-N 316.264 3.447 10 10 DGCE O=C(O)c1nc2ccccn2c1N=Nc1ccc2c(c1)OCO2 2320767942 RPBRBNBIWAIOHL-UHFFFAOYSA-N 310.269 3.177 10 10 DGCE CC(=O)N1CCN(N=Nc2cc(Cl)cc(Cl)c2)CC1 2330173360 MKAMTDBCHQCJFW-UHFFFAOYSA-N 301.177 3.156 10 10 DGCE CCC1=NN(CC)C(=O)C1=Cc1cccc(Br)c1 2332097808 DZLLCAUPNXQWFU-UHFFFAOYSA-N 307.191 3.461 10 10 DGCE Oc1cccc(Br)c1CN[C@@H]1CCc2cccnc21 2337870013 CNZBASZOBSSUPD-CYBMUJFWSA-N 319.202 3.327 10 10 DGCE Cc1nc2sccn2c1CNCc1ccc(N(C)C)cc1 35255559 BKEGSPFEDXZVKE-UHFFFAOYSA-N 300.431 3.060 10 10 DGCE CCCOc1ccc(CN2CC[C@@H](OCC(C)C)C2)c(O)c1 91964501 KROBCXWAYNVXLL-QGZVFWFLSA-N 307.434 3.428 10 10 DGCE CCCN[C@]1(CO)CCC[C@H]1CCSc1nccs1 93623197 YTZRENNGYXXIKI-JSGCOSHPSA-N 300.493 3.156 10 10 DGCE C[C@@H](N)c1ccc(N2CC[C@@]3(O)CCCC[C@@H]3C2)c(Cl)c1 160491924 QCYSPHKLACSKSJ-MRRJBJDNSA-N 308.853 3.491 10 10 DGCE CC(C)[C@H](C)CNC(=O)NCc1ccc(N2CCCC2)cc1 172376453 FYXBYCRRNWNZTG-OAHLLOKOSA-N 303.450 3.378 10 10 DGCE CCC1CCC(NC(=O)NCc2cccc(OC)c2O)CC1 174143080 DZKXODLRZJVWCQ-UHFFFAOYSA-N 306.406 3.169 10 10 DGCE C[C@@H]1C[C@@H](C(=O)NCCc2ccc(O)c(O)c2)CC(C)(C)C1 184232218 VCRYSRCMMNODQU-TZMCWYRMSA-N 305.418 3.219 10 10 DGCE CCc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1ccc(C)cc1O 185683099 JJXUDPUNCLIKDT-GXTWGEPZSA-N 300.406 3.040 10 10 DGCE CC(C)N(C(=O)OC(C)(C)C)[C@@H](C(=O)O)c1ccccc1O 227190810 JRKNTLQPVJVFRW-CYBMUJFWSA-N 309.362 3.163 10 10 DGCE C[C@H]1CCCN(c2ccc(CN)c(Br)c2F)C1 231838690 LBKVNXQEEAUGFN-VIFPVBQESA-N 301.203 3.283 10 10 DGCE Cc1cncc(/C=C\C(=O)N(C[C@@H]2CCCO2)c2ccncc2)c1 255918220 UZRZEIUSPJHLIF-XDXAGZTOSA-N 323.396 3.010 10 10 DGCE CN(Cc1cc(Cl)c(F)cc1O)Cc1ncc(Cl)n1C 293655565 PBSMINPASLJJMY-UHFFFAOYSA-N 318.179 3.204 10 10 DGCE Cc1c(Br)ccc(Oc2ccc(N)cn2)c1[N+](=O)[O-] 311341257 KTUKYCBSPYIRFS-UHFFFAOYSA-N 324.134 3.435 10 10 DGCE CC(C)N[C@@]1(CO)CCC[C@H](CSc2nccs2)C1 403201626 OWRFTYDFFLOZHR-JSGCOSHPSA-N 300.493 3.155 10 10 DGCE O=C(NCc1ccc(O)c(O)c1)[C@H]1CC[C@@H]1c1ccc(F)cc1 528863799 QPEDJXAGCQKTKM-CABCVRRESA-N 315.344 3.047 10 10 DGCE OCCc1ccc(NCc2ccc(Br)cc2O)cc1 691439701 JIPRMQKDDVVUQD-UHFFFAOYSA-N 322.202 3.302 10 10 DGCE Oc1cccc(Br)c1CN[C@@H]1CCCC1(F)F 706835630 DLNLEUPBAVCXAG-LLVKDONJSA-N 306.150 3.432 10 10 DGCE S=C(NCc1ccccc1)NCc1ccc(N2CC=CC2)cc1 740631447 OICKDAHHWAXTAY-UHFFFAOYSA-N 323.465 3.227 10 10 DGCE COc1ccc([C@@H](C)NC(=O)NCc2ccccc2O)cc1F 748462187 ARPLFCQDEAFCJC-LLVKDONJSA-N 318.348 3.100 10 10 DGCE Cc1cc(C(=O)OC[C@H]2CCSC2)c(C)n1-c1ccccn1 762149553 OZDBFICGSHUJCM-CQSZACIVSA-N 316.426 3.399 10 10 DGCE CCN1CCN(c2ccc(CN[C@@H]3C[C@H](C)[C@H]3C)cc2F)CC1 813858585 ASTNSTOIYXMANF-HDMKZQKVSA-N 319.468 3.102 10 10 DGCE C[C@]12CCN(Cc3ccc(N4CCOCC4)cc3)C[C@@H]1C2(F)F 814169630 KZRFWRDGUICXDD-IRXDYDNUSA-N 322.399 3.000 10 10 DGCE C[C@@H](N[C@H]1CCCCNC1)c1ccc(Cl)c(Cl)c1O 817983923 LSYJGMWPCIVLCX-ZJUUUORDSA-N 303.233 3.492 10 10 DGCE COc1cc(CN2CC([C@H]3CCOC3)C2)c(O)c(C(C)(C)C)c1 825737655 CKWGKGARSJXQOB-ZDUSSCGKSA-N 319.445 3.167 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)NC1(C2(C)CC2)CC1 838478882 NHSVACOIGQCZOJ-UHFFFAOYSA-N 301.434 3.193 10 10 DGCE Cc1cc(N(C)C)ccc1CNC1(C(=O)Nc2ccccc2)CC1 840938428 DKSGENKEHYZJGW-UHFFFAOYSA-N 323.440 3.322 10 10 DGCE Nc1ccc(NC(=O)N2CCC[C@@]3(C2)OCc2ccccc23)cc1 841295824 GXGJTZYNKSKSIX-IBGZPJMESA-N 323.396 3.322 10 10 DGCE Cc1cc(O)c(CN[C@H]2c3ccccc3C[C@@H]2O)c(Cl)c1 848567859 REJWAMGPCIRZJG-IRXDYDNUSA-N 303.789 3.102 10 10 DGCE Cc1ccc(O)c(CN[C@H](C[C@H]2CCCO2)C(F)(F)F)c1 848571191 DSOCVWXEUHSUOG-TZMCWYRMSA-N 303.324 3.290 10 10 DGCE C[C@H](N[C@@H]1CNCC[C@@H]1c1ccccc1)c1ccc(F)cc1O 854222709 KBTPQESXOYLOFD-MORSLUCNSA-N 314.404 3.328 10 10 DGCE CCCC[C@@](C)(F)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855226885 VGFFYITWQZKOCE-KBXCAEBGSA-N 322.424 3.309 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)c3ccc(C)s3)C2)cc1 855234967 SDYHYNHQOJETDN-CYBMUJFWSA-N 316.426 3.074 10 10 DGCE Cc1cn(C)nc1NC(=O)Cc1cc(C)n(-c2ccccc2)c1C 856413263 ZXBSVYUHAJPTHL-UHFFFAOYSA-N 322.412 3.317 10 10 DGCE CCN(CC)c1ccc(CN(C)CCOC2CCOCC2)cc1 859060679 VWHSQFHQACWSSN-UHFFFAOYSA-N 320.477 3.160 10 10 DGCE O=[N+]([O-])c1cc(Cl)cc(Cn2cnc3c2CCCC3)c1O 862431468 NFSZZRJUEZEAHO-UHFFFAOYSA-N 307.737 3.077 10 10 DGCE COc1ccc(CNc2nc(C(C)C)nc3[nH]ccc23)c(O)c1 865750555 QUZRZWADXIJLMH-UHFFFAOYSA-N 312.373 3.408 10 10 DGCE C[C@H](C(=O)NCc1c(O)ccc2c1CCCC2)c1ccncc1 866770731 CPWZCCMTGKFFGA-ZDUSSCGKSA-N 310.397 3.086 10 10 DGCE C[C@@H](NCC[C@H]1CC(=O)N(C)C1)c1ccc2ccccc2c1O 903214279 UHJQQLLZGBKWMZ-KGLIPLIRSA-N 312.413 3.064 10 10 DGCE Cc1ccc([C@@H](C)NC[C@H]2CCC3(CCOCC3)O2)c(O)c1C 927012948 HXSIYBVSTVZUPB-HZPDHXFCSA-N 319.445 3.388 10 10 DGCE CC(=O)NCCCCCN(Cc1ccc(N(C)C)cc1)C(C)C 929296138 OGYHWYPWRKIVRM-UHFFFAOYSA-N 319.493 3.269 10 10 DGCE C[C@H](NC(=O)[C@@H](CCCO)c1ccccc1)c1ccccc1O 1123869641 VJEDUHIWYLBOEY-YOEHRIQHSA-N 313.397 3.126 10 10 DGCE CN(C)c1ccc(CN(Cc2ccco2)c2cnccn2)cc1 1185693472 OFUBVTKNNUPWBZ-UHFFFAOYSA-N 308.385 3.342 10 10 DGCE CCC(C)(C)CNC(=O)N(C)CCN(C)c1ccc(OC)cc1 1312487805 HOQKXGRUZCOMKK-UHFFFAOYSA-N 321.465 3.209 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CCCOCC1 1351164313 WFFSYQBXIPYQBW-KRWDZBQOSA-N 316.445 3.062 10 10 DGCE O=C(Nc1ccccc1O)c1cc2cc(O)c(O)cc2s1 1441975594 FVQUPOFHJKKQOW-UHFFFAOYSA-N 301.323 3.270 10 10 DGCE O=C(Nc1cncc(F)c1)c1cc2cc(O)c(O)cc2s1 1448616231 YJKGFVYLZBNISK-UHFFFAOYSA-N 304.302 3.099 10 10 DGCE C[C@H](NC(=O)c1cncnc1-c1ccccc1)c1ccccc1O 1454817923 MYSXIKIELSYRKA-ZDUSSCGKSA-N 319.364 3.340 10 10 DGCE COc1ccc(CN[C@H](C)[C@@H](C)NC(=O)CC(C)C)cc1C 1505547940 QXWDWXZGDUBNNJ-HUUCEWRRSA-N 306.450 3.033 10 10 DGCE O=C(/C=C\c1cccnc1)N1CCCCc2ccc([N+](=O)[O-])cc21 1529464034 NSXOWQNBDKNWDV-TWGQIWQCSA-N 323.352 3.373 10 10 DGCE CCCN(Cc1ccccc1O)C[C@@H]1CCC[C@]2(CCOC2)O1 1641902229 KJIDDQHRPPSZIJ-PKOBYXMFSA-N 319.445 3.332 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1CC[C@H](C)C1 1673745654 VPBGJFBUOPFBBV-QRTARXTBSA-N 317.477 3.480 10 10 DGCE C[C@H]1CCCCN1/N=N/c1ccc(N2CCN(C)CC2)cc1 1860486241 TYERHHDJEDSVKG-MJWGMMHASA-N 301.438 3.312 10 10 DGCE Clc1ccc(NN=NCCN2CCOCC2)cc1Cl 1860489339 ILZZQKJINKNXKU-UHFFFAOYSA-N 303.193 3.105 10 10 DGCE Cc1cccc(Br)c1C(=O)N1CC[C@@H](N=[N+]=[N-])C1 1912196890 NGXMRHQKRCNOJT-SECBINFHSA-N 309.167 3.282 10 10 DGCE COC[C@H]1CC[C@@H](NCc2cccc(Br)c2O)C1 1918699132 FCEAWJYODDVSEI-CMPLNLGQSA-N 314.223 3.059 10 10 DGCE CN[C@H](c1ccccc1O)C1(N(C)C(=O)OC(C)(C)C)CCC1 1936984765 QIPDLTFSBBHZDS-OAHLLOKOSA-N 320.433 3.442 10 10 DGCE CC(C)(C)OC(=O)NCCC(=O)CCCc1ccc(N)cc1 1952423618 QPARUABZXRACGX-UHFFFAOYSA-N 306.406 3.075 10 10 DGCE CC(C)(C)OC(=O)NCC1(CNc2ccc(N)cc2)CCC1 1959361882 ROGXNVDCKHQOIG-UHFFFAOYSA-N 305.422 3.376 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2Nc1c(N)cccc1Cl 1959365879 JACJDBYXDRROAC-ICCXJUOJSA-N 323.824 3.342 10 10 DGCE C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1c1ccc(N)cc1 1959572007 LLKXQRKJQWWIEQ-STQMWFEESA-N 305.422 3.008 10 10 DGCE CC(C)(C)OC(=O)NC[C@]1(C)CCN(CCCCN=[N+]=[N-])C1 1962298565 GSQOBMIREUSKMK-HNNXBMFYSA-N 311.430 3.314 10 10 DGCE CCN(C(=O)OC(C)(C)C)[C@H]1CCN(CCCCN=[N+]=[N-])C1 1962304513 NQXQUTHMCPPBLM-ZDUSSCGKSA-N 311.430 3.408 10 10 DGCE COc1ccc(Br)c(CNC2(C)CCC2)c1O 1964565043 AUKMJDAJQNLAAL-UHFFFAOYSA-N 300.196 3.196 10 10 DGCE Cc1cccc(O)c1CN[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 1976877549 QIRBLNYFPJLAIE-KGLIPLIRSA-N 320.433 3.236 10 10 DGCE C[C@H](CC(=O)O)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 1977840125 NEWLKKAHJIBSKL-GFCCVEGCSA-N 322.405 3.011 10 10 DGCE C[C@H]1[C@@H](C)N(Cc2ccc(N)cc2)CCN1C(=O)OC(C)(C)C 1977892824 HZCNVSFNFAAYMR-KGLIPLIRSA-N 319.449 3.099 10 10 DGCE CCC1(NCc2ccc(C)cc2O)CN(C(=O)OC(C)(C)C)C1 1994459761 MMDQEYZUSJGETO-UHFFFAOYSA-N 320.433 3.190 10 10 DGCE OCc1ccc(N2CC(CC(F)(F)F)C2)c(Br)c1 2034862250 AMWUDIYJXQMZNK-UHFFFAOYSA-N 324.140 3.330 10 10 DGCE CCCc1c(C(=O)NCc2c(O)ccc3ccccc23)cnn1C 2062028522 VJGNQVLWZVIIGX-UHFFFAOYSA-N 323.396 3.161 10 10 DGCE CC(C)c1nn(Cc2cccc(F)c2O)c(C(F)F)c1CN 2079015979 DBPIKXLLZMKHKR-UHFFFAOYSA-N 313.323 3.296 10 10 DGCE CC[C@@H]1CC[C@H](CNCc2ccc(Br)cc2O)O1 2081665053 AGOYPBCHEJVPSE-CHWSQXEVSA-N 314.223 3.202 10 10 DGCE Cc1cnn(C)c1[C@@H](C)NCc1ccc(Br)cc1O 2094115037 DJWZWVXYKVEMQC-SNVBAGLBSA-N 324.222 3.047 10 10 DGCE COc1cc(Cl)cc(CN[C@@H](CF)C(F)(F)F)c1O 2128684985 VFMKAQPOMYXEHD-VIFPVBQESA-N 301.667 3.044 10 10 DGCE C[C@H](N)c1ccc(N(C)[C@@H](CCO)C(F)(F)F)c(Cl)c1 2178513254 RIHDEALXCQSVIZ-UFBFGSQYSA-N 310.747 3.109 10 10 DGCE C[C@H](F)CN1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 2189986379 RJNIATMDZIELIW-JTQLQIEISA-N 321.223 3.175 10 10 DGCE CCN[C@](CSc1nccs1)(C(=O)O)C1CCCCC1 2208156325 LGFFGTBGBTWMID-AWEZNQCLSA-N 314.476 3.248 10 10 DGCE COc1ccc(Br)c(CN[C@@H]2C[C@@H]2C(C)C)c1O 2220462696 PTFUYLGGLGEZSA-BXKDBHETSA-N 314.223 3.297 10 10 DGCE Cn1c(C(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])cc(Cl)c1Cl 2225798629 JSFBWZOURLKRDR-YUMQZZPRSA-N 302.165 3.293 10 10 DGCE COc1ccc(Br)c(OCc2ccc(N)cc2)n1 2254589546 RLGYEXBDVWIDIM-UHFFFAOYSA-N 309.163 3.014 10 10 DGCE CC[C@](C)(NC(=O)C=Cc1ccc(O)c(O)c1)c1nccs1 2307987891 RVPJLMHMRMYXQX-INIZCTEOSA-N 318.398 3.009 10 10 DGCE C[C@@H](NC(=O)C=Cc1ccc(O)c(O)c1)[C@H](C)c1ccccc1 2307989951 NTXSPAHZFBFRGY-UONOGXRCSA-N 311.381 3.419 10 10 DGCE Cc1ccc(CN2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)c(O)c1Br 2327598848 HLUFZBKKAKRVSK-CYDGBPFRSA-N 308.219 3.303 10 10 DGCE O=[N+]([O-])c1cc2scc(O)c2cc1I 307411462 GETVCSCNYDLURO-UHFFFAOYSA-N 321.095 3.120 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)C(=O)Nc1ccc2ocnc2c1 170022268 HWHFZHVIGXWWLR-JTQLQIEISA-N 312.325 3.056 10 10 DGCE COc1cccc(CNC(=O)[C@@H]2C[C@H]2C2CCCCC2)c1O 175930442 HQQVSIPPFSCIFS-LSDHHAIUSA-N 303.402 3.233 10 10 DGCE CC1CCN([C@@H](C)CN[C@@H](C)c2ccc(F)c(F)c2O)CC1 187677182 CXHMJZIVSGCOLN-STQMWFEESA-N 312.404 3.441 10 10 DGCE Nc1cc(Cl)c(N2C(=O)[C@]34CCC[C@@]3(C4)C2=O)c(Cl)c1 2365784588 FSPLBSXBZZDUKW-ZIAGYGMSSA-N 311.168 3.009 10 10 DGCE CNCc1ccc(OC)c(C[S@@](=O)c2ccccc2Cl)c1 82001984 VPZBAPQIMYOBSW-NRFANRHFSA-N 323.845 3.376 10 10 DGCE COc1ccc(CN(Cc2ccco2)C[C@@H]2CCCO2)c(O)c1 92437388 KZHVMHINSYJTHD-KRWDZBQOSA-N 317.385 3.175 10 10 DGCE C[C@H](C[C@@H](O)c1ccco1)N[C@H](C)c1ccc(F)c(F)c1O 249038480 CPYYSAKKXJBAFL-GIPNMCIBSA-N 311.328 3.426 10 10 DGCE COc1cccnc1N(C)C(=O)/C=C\c1cccc2cccnc12 255416848 IIOLCUJLOBHSGN-KHPPLWFESA-N 319.364 3.315 10 10 DGCE COc1cc(NCc2cccc(OC)c2O)c(C)c(OC)c1 800291289 NXHPRKGEYVBDHL-UHFFFAOYSA-N 303.358 3.339 10 10 DGCE CN(Cc1ccc2c(c1)CCN2Cc1ccccc1)[C@H]1CCOC1 809566840 UBKUFPSSXUPYPS-FQEVSTJZSA-N 322.452 3.470 10 10 DGCE C[C@H](N[C@@H](C)[C@@H](O)c1ccccc1)c1cc([N+](=O)[O-])ccc1O 290187960 FUKXVARPJDMOPT-NVGCLXPQSA-N 316.357 3.073 10 10 DGCE COCC[C@@H](COC)N[C@@H](C)c1ccc(N2CCCCC2)cc1 810257210 NEUPWFWMMJWOKW-WMZOPIPTSA-N 320.477 3.379 10 10 DGCE CO[C@@H]1C[C@@H]2C[C@@H](NCc3ccc(N(C)C)c(F)c3)C[C@@H]2C1 818331492 WGGNAYVARNTFIH-PLAPLOCASA-N 306.425 3.185 10 10 DGCE CCN(CC)c1ccc(CNC(=O)C2(C(F)(F)F)CC2)cc1 726145349 ZSLOSKZMAIJMFM-UHFFFAOYSA-N 314.351 3.492 10 10 DGCE Cc1cc(Cl)cc(CN2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1O 824715521 LDGNIECBXXPLRB-OAGGEKHMSA-N 309.837 3.479 10 10 DGCE NCc1ccc(N2CCS[C@H](C(F)(F)F)C2)c(Cl)c1 721388707 JUDCLZZGEFCSAI-NSHDSACASA-N 310.772 3.283 10 10 DGCE CCN(CC)c1ccc(CNC(=O)N[C@H]2C[C@@H]3C[C@@H]3C2)cc1F 823006224 CWNBXKJTNVAWLX-QDMKHBRRSA-N 319.424 3.270 10 10 DGCE Oc1cccc2c1[C@@H](NCCc1ccnn1-c1ccccc1)CC2 903168051 CZDAAFZBYIDNCP-SFHVURJKSA-N 319.408 3.398 10 10 DGCE COC(=O)CCN(C/C=C/c1ccc(N(C)C)cc1)C(C)C 835030317 WXQTURQQGYTOBN-VOTSOKGWSA-N 304.434 3.039 10 10 DGCE Oc1ccc2ccncc2c1CN1CCC[C@@H]([C@@H]2CCOC2)C1 747827257 NRBLAOYMANGHHD-HZPDHXFCSA-N 312.413 3.189 10 10 DGCE C[C@@H](NC(=O)[C@@H]1CCOC2(CCCC2)C1)c1ccccc1O 913763382 FDKGKCRZPAFVPU-ZIAGYGMSSA-N 303.402 3.309 10 10 DGCE CN(C)c1ccc(CNC(=O)NCC2CCCCC2)cc1F 746975340 DCBUOGUWADCZFP-UHFFFAOYSA-N 307.413 3.271 10 10 DGCE CN(C)c1ccc(CNC(=O)N2CCC[C@H]3C[C@H]2C3(C)C)cc1 844781737 XXESUZHULVWJHS-RDJZCZTQSA-N 315.461 3.473 10 10 DGCE Cc1cc(O)c(CNCc2ccc([S@@](C)=O)cc2)c(Cl)c1 840902640 HKXBLOARPMXDGB-OAQYLSRUSA-N 323.845 3.381 10 10 DGCE COc1cccc([C@@H](C)N[C@H](C2CCOCC2)C2CC2)c1O 846189838 UTVMMAACLSXYJI-PXAZEXFGSA-N 305.418 3.257 10 10 DGCE CCOc1ccc(O)c(CN[C@@H]2COc3cccc(C)c3C2)c1 858216444 ZWDUQTGTMHMEEO-HNNXBMFYSA-N 313.397 3.193 10 10 DGCE Cc1cc(N(C)C)ccc1CN[C@@H]1CC[C@H]2COCC[C@H]2C1 921748569 XZDJWVVQHINNEU-RYQLBKOJSA-N 302.462 3.356 10 10 DGCE CCc1onc(C)c1CN(C)c1cc(OC)c(OC)c(OC)c1 929707966 PBNHPYKZHGXALN-UHFFFAOYSA-N 320.389 3.208 10 10 DGCE CO[C@H]1CC[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 854476032 ZRBOBEYSETWOII-KCJUWKMLSA-N 318.200 3.130 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)c3csc(C)c3)C2)cc1 855223204 CLNKUFPZABJVQT-AWEZNQCLSA-N 316.426 3.074 10 10 DGCE Cn1ncc(C2CCC2)c1CNCc1c(O)ccc(Cl)c1F 850391120 FVIPPIVEUQXQGL-UHFFFAOYSA-N 323.799 3.476 10 10 DGCE CCOC(=O)C1=CC[C@H](NC/C=C\c2ccc(N(C)C)cc2)C1 862489557 PDHKMQYUOPDXNS-OSJSJHBBSA-N 314.429 3.007 10 10 DGCE CN(C)c1ccc(CNC(=O)N[C@H]2CCCC23CC3)cc1F 868845424 VOOYGCCQNNYYJA-HNNXBMFYSA-N 305.397 3.024 10 10 DGCE COCc1sccc1C(=O)N[C@H](C)c1cc(OC)ccc1O 866765675 YOAWYOOWNCNQIA-SNVBAGLBSA-N 321.398 3.100 10 10 DGCE CS[C@H]1C[C@H](N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 866487169 VJUDPRKYKDWUCX-BPLDGKMQSA-N 324.465 3.207 10 10 DGCE COc1ccc(N2CCN(Cc3ncc(Cl)s3)CC2)cc1 770610239 DYNDKODMTHEZCM-UHFFFAOYSA-N 323.849 3.127 10 10 DGCE Cc1cc(C)c(O)c(CN2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1 797418759 VQGYCCGUBOSNMC-JTDSTZFVSA-N 319.445 3.167 10 10 DGCE CCO/C=C1\SC(=S)N(c2ccccc2OCC)C1=O 1088727029 GIXZTQARHSVZLC-XFXZXTDPSA-N 309.412 3.328 10 10 DGCE C[C@]1(O)[C@H]2C[C@@H]1CN(c1ccc(OCc3ccccc3)cc1)C2 1899871257 VPENVAWMRUYIRN-XEMDLRDOSA-N 309.409 3.473 10 10 DGCE C[C@@]12CN(c3ccc(OCc4ccccc4)cc3)C[C@]1(CO)C2 1899874624 OEUFLADYAFUIRA-UXHICEINSA-N 309.409 3.474 10 10 DGCE C[C@@H](O)c1ccc(N2CC[C@H](CF)C2)cc1Br 711425332 FXAYOIHOFQMCRG-NXEZZACHSA-N 302.187 3.298 10 10 DGCE CC(C)N(C[C@@H](C)O)c1ccc([C@@H](C)O)c(Br)c1 691520455 IYYDUNUYWKIBEP-GHMZBOCLSA-N 316.239 3.098 10 10 DGCE COc1ccc(CN[C@](C)(CO)Cc2ccc(F)cc2)cc1C 1198230040 NOJQPELZODUGDU-IBGZPJMESA-N 317.404 3.226 10 10 DGCE Cc1ncccc1/C=C/C(=O)N1C[C@H](C)C(=O)Nc2ccccc21 1353942691 PCTUHUFRDQRZFF-LXKVQUBZSA-N 321.380 3.025 10 10 DGCE COc1c(OC(=O)c2cccc(O)c2O)ccc2ccccc12 1449795943 UEKZBXHOJQUJNM-UHFFFAOYSA-N 310.305 3.479 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@H](C)O[C@@H]2C)cc1F 1443764429 AQYYCGKOCXJIBM-GZBFAFLISA-N 322.424 3.102 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)c1ccc2c(c1)CCOC2 1452936994 UCQJEDKMPXDHDR-UHFFFAOYSA-N 317.772 3.048 10 10 DGCE C[C@H]1CC[C@H]1NC(=O)N(C)Cc1ccc(N2CCCC2)cc1 1478604495 FBUBIESWYXDCCT-WMLDXEAASA-N 301.434 3.227 10 10 DGCE COc1cc(OC)c(C(=O)Nc2ccc(N)cc2)cc1Cl 212595034 YBQOWTQNFKVEIC-UHFFFAOYSA-N 306.749 3.192 10 10 DGCE Cc1cc(CC(=O)N(C)c2ccnn2C)c(C)n1-c1ccccc1 1628082652 BHQMCNFSQUTGDA-UHFFFAOYSA-N 322.412 3.033 10 10 DGCE C[C@@H](CC(=O)NCc1ccc(O)cc1O)c1ccccc1F 1639444266 FAQXABATDBXPNA-NSHDSACASA-N 303.333 3.047 10 10 DGCE Cc1nc2ccccc2c(C)c1C(=O)NCc1c(O)cccc1O 1635847539 PJLCSSNGXIGXCG-UHFFFAOYSA-N 322.364 3.193 10 10 DGCE C[C@H](N[C@@H](C)c1ccccc1O)C(=O)Nc1cc(F)ccc1F 1659815502 LCMVRVLTQCLJGL-QWRGUYRKSA-N 320.339 3.348 10 10 DGCE CCn1cc(Br)c(COCCc2ccc(N)cc2)n1 2124741933 SFMRWDGERKZKEV-UHFFFAOYSA-N 324.222 3.007 10 10 DGCE C[C@H]1C[C@](NCCCN=[N+]=[N-])(C(=O)O)c2ccsc2S1 1912197680 XMNNKPFEZJZTSH-QPUJVOFHSA-N 312.420 3.202 10 10 DGCE [N-]=[N+]=NC1CCN(C(=O)c2ccc(Br)s2)CC1 1912165360 JQRHUILKVZVYSF-UHFFFAOYSA-N 315.196 3.426 10 10 DGCE [N-]=[N+]=NCCNC(=O)C1CC2(CC(OCc3ccccc3)C2)C1 1965102363 OMZFRRCBHPHOJO-UHFFFAOYSA-N 314.389 3.189 10 10 DGCE Cc1ccc(O)c(CNC(=O)NC[C@H]2C[C@@H]2C2CCCC2)c1 1685785171 HGJMUYGMJIMMIL-GDBMZVCRSA-N 302.418 3.326 10 10 DGCE COc1ccc2ccc(O)c(CN3CCC([C@H](C)O)CC3)c2c1 158608220 FFIKCEKEKZEUCB-ZDUSSCGKSA-N 315.413 3.147 10 10 DGCE O=C(NCc1ccc(O)c(O)c1)[C@@H]1C[C@H]1c1cccc(Cl)c1 159107181 CRDXUNVPFQECFE-UONOGXRCSA-N 317.772 3.171 10 10 DGCE CCNCc1ccc(N(CCCO)Cc2ccccc2)cc1C 1914648987 FZVPGFAPGLHYNS-UHFFFAOYSA-N 312.457 3.494 10 10 DGCE CC1(C)COCCN(Cc2cc(Br)ccc2O)C1 1967783400 ZGRCVMIRSZJREV-UHFFFAOYSA-N 314.223 3.013 10 10 DGCE CN[C@H](CC[C@H](C)NC(=O)OC(C)(C)C)c1ccccc1O 1928475175 VAUJFSNUPSGMJU-GXTWGEPZSA-N 308.422 3.346 10 10 DGCE CS(=O)(=O)c1ccc(NCc2c(O)cccc2Cl)cc1 127235171 BDTYBPCSVHKXMN-UHFFFAOYSA-N 311.790 3.061 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H](F)[C@@H]1c1cc(N)ccc1O 1953069576 QDFIJYRBLFOJDY-JSGCOSHPSA-N 310.369 3.385 10 10 DGCE Oc1cc(Br)ccc1CN[C@H]1C[C@@]12CC2(F)F 2004613131 MIWCTSPEPCMYMV-WDEREUQCSA-N 304.134 3.042 10 10 DGCE Oc1ccc(Br)cc1CNC[C@@H]1CCC1(F)F 2011541613 PUJUUQHZARXSRM-VIFPVBQESA-N 306.150 3.290 10 10 DGCE CCS[C@@H]1CCN(c2ccc(CN)c(Br)c2)C1 383056916 PTKQDUGLILCZII-GFCCVEGCSA-N 315.280 3.240 10 10 DGCE COc1cccc(O)c1[C@H](C)n1nc(C(C)C)cc1CN(C)C 2070135293 VHYFMHRVXBEART-ZDUSSCGKSA-N 317.433 3.392 10 10 DGCE Cc1ccc([C@H](C)n2nc(C(C)C)c(C(N)=O)c2Cl)c(O)c1 2079139925 DCZVAJBIWAQORA-JTQLQIEISA-N 321.808 3.382 10 10 DGCE C[C@H]1C[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3O)CCN2C1 2181243064 RUYCFESHPYCEKP-GXFFZTMASA-N 315.244 3.225 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)c2snc(Cl)c2Cl)C1 2048318239 VWIKZYUAFOUBEG-RXMQYKEDSA-N 306.178 3.365 10 10 DGCE C[C@@H](N)c1ccc(N2Cc3ncsc3C2)c(Br)c1 2081613063 ZXCUPOYHXDQMOK-MRVPVSSYSA-N 324.247 3.446 10 10 DGCE NCc1ccc(N2CCc3cccc(Br)c3C2)cc1 2093513257 DRPCSWOQUUCWQM-UHFFFAOYSA-N 317.230 3.471 10 10 DGCE COc1ccc(N2CC[C@@H](C(F)(F)F)[C@H](N)C2)cc1Cl 2202997899 BGPKGAWIUHXTNE-MWLCHTKSSA-N 308.731 3.065 10 10 DGCE OCc1ccc(N2CCC(OC(F)(F)F)CC2)c(Cl)c1 2239259867 IXVPONLCUJEPAC-UHFFFAOYSA-N 309.715 3.338 10 10 DGCE Oc1c(Cl)cccc1CN[C@H](C(F)F)C1CCOCC1 2239455036 QVQQLQNZXSLRTE-LBPRGKRZSA-N 305.752 3.196 10 10 DGCE CC(=O)NC1=NC(=O)C(=Cc2ccc(Cl)cc2Cl)S1 2297350154 BMKBKPCRJPSXBM-UHFFFAOYSA-N 315.181 3.100 10 10 DGCE Oc1cc(Br)ccc1CNC[C@@H]1C[C@H]2C=C[C@@H]1C2 2309750586 RJCNOABWHOAJOA-LOWVWBTDSA-N 308.219 3.457 10 10 DGCE CC(C)CN1N=C(c2ccccc2)C(=Cc2ccccn2)C1=O 2332128595 KAENCPWOKRQVRA-UHFFFAOYSA-N 305.381 3.368 10 10 DGCE C[C@@H](CN(C)C)N(C)[C@@H](C)c1cc(Br)ccc1O 2326779107 NOHZGFGQTVHVHC-QWRGUYRKSA-N 315.255 3.098 10 10 DGCE Nc1ccc(NC(=O)CCOCc2ccccc2Cl)cc1 21520867 PLXJVAJYJOJHGO-UHFFFAOYSA-N 304.777 3.468 10 10 DGCE Cc1ccc(S(C)(=O)=O)cc1N[C@H](C)c1ccccc1O 36961018 VJHJWWQQRNHQHF-GFCCVEGCSA-N 305.399 3.277 10 10 DGCE Nc1ccc(NC(=O)CCC[S@@](=O)C2CCCCC2)cc1 40971666 VDJXGCMCNOHYQM-NRFANRHFSA-N 308.447 3.069 10 10 DGCE Oc1ccc(NC[C@H]2CCN(c3ccc4c(c3)OCO4)C2)cc1 76440034 BNHVBPVJIOKWIN-CYBMUJFWSA-N 312.369 3.059 10 10 DGCE CC[C@]1(C)CN(C[C@@H]2CCCNC2)c2ccc(OC)cc2N1 76931127 DSQWUCJSKLISNM-RDTXWAMCSA-N 303.450 3.095 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)N[C@@H]2CCCOC2)c1 111136781 BPFPTWBLTXCDLP-MRXNPFEDSA-N 312.413 3.311 10 10 DGCE CC(C)(C)C[C@@H](CO)NCc1cc(Br)ccc1O 121320481 PORYQCPKGFTWHH-LBPRGKRZSA-N 316.239 3.041 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)C(=O)Nc1ccc(N)cc1Cl 170245139 OHPPDDMIKKGBHA-VIFPVBQESA-N 320.776 3.151 10 10 DGCE CCOCc1cc(CNC[C@@H]2CCC(C)(C)O2)ccc1OC 189716219 OHQMYXRNEBONFM-INIZCTEOSA-N 307.434 3.279 10 10 DGCE Cc1cc(C)n(CCCN[C@H](C)c2ccc(F)c(F)c2O)n1 191185130 UJJUEIVKWWCDSC-GFCCVEGCSA-N 309.360 3.225 10 10 DGCE CCN1C(=O)/C(=C\c2ccc(N3CCCCC3)o2)SC1=S 205772623 BOIVJFMBZMPHEU-ZRDIBKRKSA-N 322.455 3.491 10 10 DGCE Cc1cc(Cl)nc(Cl)c1NC(=O)c1cccc(O)c1O 235812912 MGLRTKMHINBBOA-UHFFFAOYSA-N 313.140 3.360 10 10 DGCE CO[C@H](C)[C@@H](C)N[C@@H](C)c1ccc(Br)cc1O 290241662 SQDHVNMUEZVCEK-KXUCPTDWSA-N 302.212 3.229 10 10 DGCE NCc1ccc(N2CC[C@H](C(F)(F)F)C2)c(Br)c1 385516472 YCKPLWUJQZPQJU-VIFPVBQESA-N 323.156 3.296 10 10 DGCE CN(Cc1nccs1)c1ccc(CN)c(Br)c1 387204194 DWGXZKRMWULMAK-UHFFFAOYSA-N 312.236 3.001 10 10 DGCE C[C@@H](NC[C@H]1COc2ccccc2O1)c1cc(F)ccc1O 388389275 RPXMGSAQNLIIQC-YPMHNXCESA-N 303.333 3.022 10 10 DGCE C[C@H](c1ccco1)N(C(=O)/C=C\c1ccc(O)c(O)c1)C1CC1 588408097 LEINHWGRHSUBDQ-DJTUGOFGSA-N 313.353 3.456 10 10 DGCE CN1CCC[C@H]1CCNCc1cc(Cl)cc(Cl)c1O 693899323 TVALRCPFYRFVMR-LBPRGKRZSA-N 303.233 3.273 10 10 DGCE C[C@H]1CN(Cc2c(O)cccc2Cl)C[C@@](C)(C(F)F)O1 698928422 JSAQKNFERPBGRE-XPTSAGLGSA-N 305.752 3.290 10 10 DGCE Oc1c(F)cc(Br)cc1CNCc1cncs1 715790712 WCWLSGQNOIPAOD-UHFFFAOYSA-N 317.183 3.040 10 10 DGCE CC[C@H](NCc1ccccc1O)C1CN(C(=O)OC(C)(C)C)C1 716105736 MZGJCMJCSBRILV-HNNXBMFYSA-N 320.433 3.127 10 10 DGCE Oc1c(Br)cccc1CNCC1C2(CC2)C12CC2 716547948 XKOIIGGONZCSHD-UHFFFAOYSA-N 308.219 3.435 10 10 DGCE NCc1ccc(N2C[C@@H]3CC=CC[C@H]3C2)c(Br)c1 723190606 ILRDDDFYPLTZRM-STQMWFEESA-N 307.235 3.310 10 10 DGCE CC[S@](=O)CCN[C@@H](C)c1ccc(N2CCCCC2)cc1 765935491 GGWKHRUZTXWTAY-BTYIYWSLSA-N 308.491 3.096 10 10 DGCE Oc1cc2c(cc1CN1CCOC[C@H]1C(F)(F)F)CCCC2 768446230 LNDUTMRFIOYZBT-HNNXBMFYSA-N 315.335 3.034 10 10 DGCE C[C@H](NC(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(N(C)C)cc1 773609733 BDMCKEGSVYAUAG-GZIXRCOHSA-N 301.434 3.301 10 10 DGCE Cc1cc(Cl)cc(CN2CCc3ccccc3[C@@H]2CO)c1O 775701645 UYTWVLISWUPBHI-KRWDZBQOSA-N 317.816 3.446 10 10 DGCE Cc1ccncc1N1CCN(Cc2cccc(Cl)c2O)CC1 798961928 ILHHMDABUNSBAO-UHFFFAOYSA-N 317.820 3.071 10 10 DGCE CC(=O)c1ccc(NCc2cc(Br)ccc2O)nc1 804827431 RVGQZUGBCCFQSS-UHFFFAOYSA-N 321.174 3.364 10 10 DGCE O=C(/C=C\[C@H]1CCCO1)NCc1cc(Cl)cc(Cl)c1O 819533422 JFZYKXFJEOAHCY-DLRQAJBASA-N 316.184 3.050 10 10 DGCE CCc1cccc(CN[C@@H]2CCC[C@H]2Cc2cnn(C)c2)c1O 827319228 AZSXDYXHQLVDQF-FUHWJXTLSA-N 313.445 3.189 10 10 DGCE CN(C)c1ccc(/C=C\CNCC2(N(C)C)CCCC2)cc1 835033356 FRIUTFPXVQAKIE-FPLPWBNLSA-N 301.478 3.230 10 10 DGCE COc1cccc([C@@H](C)NCCN(C)C2CCCCC2)c1O 846142122 BZNWETJOQCDBIF-CQSZACIVSA-N 306.450 3.316 10 10 DGCE C[C@@H](NCc1c(C2CCC2)cnn1C)c1ccc(F)cc1O 850548852 APCOVSJBEYXRPW-LLVKDONJSA-N 303.381 3.383 10 10 DGCE CC(C)[C@H](N)CCN[C@@H](C)c1cccc(C(F)(F)F)c1O 854230432 PLUPLZUTYRUMIM-GXFFZTMASA-N 304.356 3.435 10 10 DGCE C[C@@H](NC(=O)N[C@H]1CCCC12CC2)c1ccc(N(C)C)cc1 868515122 IZVYEHSJBUDISM-CJNGLKHVSA-N 301.434 3.446 10 10 DGCE COc1cc(C)cc(CNCC(C)(C)[C@H]2CCCCO2)c1O 894331312 FFXGEKHGCNMWNK-MRXNPFEDSA-N 307.434 3.394 10 10 DGCE C[C@@H](NC[C@]1(C(F)(F)F)CCCN1)c1ccc(N(C)C)cc1 925855832 IFDXQPUQLIDSTE-DOMZBBRYSA-N 315.383 3.088 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)c1ccc(NC)cn1 1139124093 OWVHTUPCFNSBEX-UHFFFAOYSA-N 313.401 3.271 10 10 DGCE CC/C=C(/C)C(=O)NCC[C@H](C)NCc1ccc(OC)c(C)c1 1328312225 BLINVRNJWDAAIJ-VFXTVZEFSA-N 318.461 3.344 10 10 DGCE Cc1ccc2c(c1)N(C(=O)c1ccc(N=NC(N)=O)cc1)CC2 1442401716 NJDCQNKYAWPREZ-UHFFFAOYSA-N 308.341 3.360 10 10 DGCE Cc1ccc(C[C@@H](C)NC(=O)c2ccc(C)c(O)c2O)c(C)c1 1443955792 ZHJMZZHJYNVHAB-CQSZACIVSA-N 313.397 3.384 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)c1ccc2cc[nH]c2c1 1557386419 UCYQHDSJGQTJBB-UHFFFAOYSA-N 300.745 3.457 10 10 DGCE C[C@H](NCC(=O)Nc1cc(Cl)ccc1F)c1ccccc1O 1560074794 GOQMAVKHKNXDHD-JTQLQIEISA-N 322.767 3.474 10 10 DGCE Cc1cc(C)cc(-n2c(C)cc(C(=O)Nc3[nH]nnc3C)c2C)c1 1630641538 DFPIEHRUDLIMOU-UHFFFAOYSA-N 323.400 3.390 10 10 DGCE O=C(NCc1ccc(O)cc1O)c1ccc(Cl)c(Cl)c1 1643101123 WBPVGMDREWMBBZ-UHFFFAOYSA-N 312.152 3.335 10 10 DGCE O=C(c1sccc1OC(F)F)N1Cc2cccc(O)c2C1 1650674735 NIKDOFAQQDLIIB-UHFFFAOYSA-N 311.309 3.211 10 10 DGCE COc1ccc(CNC(=O)N[C@H](C)c2ccc(F)cc2)c(O)c1 1687771829 WAJWGWXTWNTXIL-LLVKDONJSA-N 318.348 3.100 10 10 DGCE C[C@@H](NCc1ncccc1Br)c1c(O)cccc1O 1927118469 WGRDVLZIQHUSNG-SECBINFHSA-N 323.190 3.106 10 10 DGCE CC(C)(C)OC(=O)N[C@H](C[C@@H](N)c1ccccc1O)C1CC1 1928473409 AXVFKWAMBJUCQN-ZIAGYGMSSA-N 306.406 3.085 10 10 DGCE CC(C)(C)OC(=O)N[C@@]1(c2ccc(N)cc2O)CC=CCC1 1953052937 KFFFRKNTFDIRPG-KRWDZBQOSA-N 304.390 3.435 10 10 DGCE Cc1cccc(N)c1N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C 1959360990 JHCWMXYVSCWBGD-OCCSQVGLSA-N 305.422 3.245 10 10 DGCE C[C@H](Nc1c(N)cccc1F)C1CN(C(=O)OC(C)(C)C)C1 1959368773 WJOQPCGKZDPVID-JTQLQIEISA-N 309.385 3.075 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2CCCN(CCCN=[N+]=[N-])[C@H]2C1 1962298943 JOUAWSDXHLLCEU-STQMWFEESA-N 309.414 3.018 10 10 DGCE CC[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](CC)CN1CCN=[N+]=[N-] 1962301151 ULHKCSQFYNJDRZ-STQMWFEESA-N 311.430 3.407 10 10 DGCE [N-]=[N+]=NCCCCNC(=O)C1CCN(Cc2ccccc2)CC1 1963732925 TZCOOLRTNCNPQY-UHFFFAOYSA-N 315.421 3.105 10 10 DGCE CO[C@@H]1CN(Cc2c(O)cccc2Br)CC1(C)C 1967794920 YHXBFJLKSWXJBA-CYBMUJFWSA-N 314.223 3.012 10 10 DGCE C[C@@H]1CC[C@@H]([C@H](N)c2ccccc2O)N1C(=O)OC(C)(C)C 1974747479 GLMWMAOZEQEXCM-OSAQELSMSA-N 306.406 3.180 10 10 DGCE CN(C)CCN(Cc1ccccc1)c1ccc2c(c1)CC[C@@H]2O 1986603419 WNABHXGVFRDHAU-FQEVSTJZSA-N 310.441 3.234 10 10 DGCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)C1(CN)CCC1 1990494917 OBCBEPHXMDJATH-UHFFFAOYSA-N 319.449 3.029 10 10 DGCE CCCN(CCNCc1ccc(C)cc1O)C(=O)OC(C)(C)C 1994458219 PAHPSSPPXSURCG-UHFFFAOYSA-N 322.449 3.437 10 10 DGCE C[C@H](O)c1ccc(N2CC3(F)CC2C3)cc1Br 2002410358 JCFIYYVZMHXBHH-LUHBLDKBSA-N 300.171 3.193 10 10 DGCE CC(C)(F)CS(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1 2027730620 TYXUCPKLWSSIFL-UHFFFAOYSA-N 316.181 3.189 10 10 DGCE C[C@@H](N)c1ccc(N(C)Cc2cnco2)cc1Br 2043638202 ZYPGUROVLVEFMQ-SECBINFHSA-N 310.195 3.093 10 10 DGCE CN(CCCN=[N+]=[N-])C[C@@H](O)c1ccc(Br)cc1 2050511464 UJCKPCMURJZEBO-GFCCVEGCSA-N 313.199 3.115 10 10 DGCE O=Cc1cc(C2CC2)nn1Cc1cccc(Br)c1O 2069986601 XKBDYNDFRNHLFM-UHFFFAOYSA-N 321.174 3.089 10 10 DGCE CCN(C)[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)C1 2097667418 CQSNIIQPTDMAFK-GFCCVEGCSA-N 303.233 3.225 10 10 DGCE C[C@H](NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCC[C@H]1O 2111562146 XNKCDTSMAGOIHJ-RLCGTCKNSA-N 304.217 3.338 10 10 DGCE CCN[C@H](C)c1ccc(N2C[C@H](F)[C@H](OC)C2)c(Cl)c1 2146470583 WEUJKRHMBGRMKT-RIEGTJTDSA-N 300.805 3.184 10 10 DGCE CCN(CC1CCOCC1)c1cc(Cl)c(CN)cc1F 2177378648 UHXVGUPVZNTPRB-UHFFFAOYSA-N 300.805 3.191 10 10 DGCE COc1ccc(N2CC[C@H](N(C)Cc3ccccc3)C2)c(C=O)c1 2214860871 VPULAMDMSYIYPQ-SFHVURJKSA-N 324.424 3.218 10 10 DGCE C[C@H](CCNCc1c(O)cccc1Br)OC(F)F 2261309702 SIXUPPMSOKCQRF-MRVPVSSYSA-N 324.165 3.262 10 10 DGCE NCc1cc(F)c(N2CCSC3(CCC3)C2)cc1Cl 2264372514 ZOQMCRCFFZQBER-UHFFFAOYSA-N 300.830 3.414 10 10 DGCE COc1cc(Cl)cc(CNCCCSC(F)F)c1O 2264423963 RQHHJBCFKWXAGD-UHFFFAOYSA-N 311.781 3.490 10 10 DGCE CC[C@@H]1CN2CCCC[C@@H]2CN1Cc1cnc(SC)s1 2284678328 VNBJEKSQKUXIQF-CHWSQXEVSA-N 311.520 3.314 10 10 DGCE Cc1cc(C(F)(F)F)sc1[C@@H](NCCN=[N+]=[N-])C(=O)O 2295052464 QXZGKFAAUZYFLX-SSDOTTSWSA-N 308.285 3.101 10 10 DGCE COc1ccc(O)c(CNC(=O)C=Cc2ccccc2Cl)c1 2301549743 OHWPWDNPWOFAGH-UHFFFAOYSA-N 317.772 3.384 10 10 DGCE CCc1ccc(CCNC(=O)C=Cc2ccc(O)c(O)c2)cc1 2308001501 OCBBGKPHHHDLRH-UHFFFAOYSA-N 311.381 3.032 10 10 DGCE Cc1cccn2c(N=Nc3ccc(O)cc3)c(CC(=O)O)nc12 2320767610 JQZYNTROCMFORK-UHFFFAOYSA-N 310.313 3.391 10 10 DGCE CSc1ncc(CNCc2nccc(C(C)(F)F)n2)s1 2367107033 RANXOCFYCNQGKC-UHFFFAOYSA-N 316.402 3.057 10 10 DGCE CC1CCN(C2=NC(=O)/C(=C\c3cccc(O)c3)S2)CC1 6243638 UHHOLXFLPFNTAH-GXDHUFHOSA-N 302.399 3.094 10 10 DGCE Cc1nn(CCCC(=O)Nc2ccc(N)cc2)c(C)c1Cl 50585767 JBPLQUDYSYPEGB-UHFFFAOYSA-N 306.797 3.154 10 10 DGCE CN(Cc1c(O)ccc(C(=O)c2ccccc2)c1O)CC1CC1 102885157 QPWRNQXFZOMWIY-UHFFFAOYSA-N 311.381 3.171 10 10 DGCE COc1ccc(N(C)CC(=O)Nc2ccccc2F)cc1F 121783046 FSLJFJVFMLIKMH-UHFFFAOYSA-N 306.312 3.048 10 10 DGCE COc1ccc2c(c1)CCN2Cc1ccc(-n2cncn2)c(C)c1 127700013 PTIGVPBIRKJKHH-UHFFFAOYSA-N 320.396 3.147 10 10 DGCE COc1ccc(CN2C[C@H](c3ccccc3)OC[C@@H]2C)c(O)c1 130685829 LHMNLJDFEOMUKD-IFXJQAMLSA-N 313.397 3.363 10 10 DGCE C[C@H](c1cc(Br)ccc1O)N1CCOC(C)(C)C1 132306591 VXAPRHATQAWECJ-SNVBAGLBSA-N 314.223 3.327 10 10 DGCE C[C@@H](c1cc(Br)ccc1O)N1CCCO[C@H](C)C1 134152585 KKTNERXIYQDDEH-MNOVXSKESA-N 314.223 3.327 10 10 DGCE Cc1ccc(O)c(CN[C@@H](CNC(=O)OC(C)(C)C)C2CC2)c1 153855141 KBGNGENXJCLGRV-HNNXBMFYSA-N 320.433 3.094 10 10 DGCE CNCc1ccc(N2C[C@H](C)O[C@H](C)C2)cc1C(F)(F)F 157865518 NSTMYWKZGVITTC-PHIMTYICSA-N 302.340 3.038 10 10 DGCE COCCN(Cc1ccccc1)Cc1ccc(OC)cc1O 160453993 ZGQMGDKEAMQHAI-UHFFFAOYSA-N 301.386 3.049 10 10 DGCE C[C@@H]1CC(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@@H](C)O1 179421321 BSHPJDAEHSVMHZ-HUUCEWRRSA-N 316.445 3.107 10 10 DGCE COc1ccc(O)c([C@H](C)NCc2ccc(CN(C)C)cc2)c1 184895431 MKMLIUBWMWTHLB-AWEZNQCLSA-N 314.429 3.313 10 10 DGCE COc1cccc(CN2C[C@H]3CCC(=O)c4cccc2c43)c1O 185628871 FHZLCAISAMBDII-GFCCVEGCSA-N 309.365 3.481 10 10 DGCE COc1ccc(O)c(CN2C[C@H](C)O[C@H](c3ccsc3)C2)c1 245638712 CUKNEOWBLWULIO-SJCJKPOMSA-N 319.426 3.424 10 10 DGCE Cc1ccc(/C=C\C(=O)NCCCSc2nccs2)o1 255093788 RMFVBWINNHQART-WAYWQWQTSA-N 308.428 3.356 10 10 DGCE Oc1ccccc1CN1CCC[C@H](c2ncc3n2CCCC3)C1 282414907 DJYPGIFNYNKRRW-INIZCTEOSA-N 311.429 3.305 10 10 DGCE Oc1cccc2c1[C@H](NCc1ccn(Cc3ccccc3)n1)CC2 296246118 BBFANFLLLDQIIZ-GOSISDBHSA-N 319.408 3.414 10 10 DGCE CC(C)(C)OC(=O)NC[C@H](N)c1ccc(N2CCCCC2)cc1 309937804 DVXMDHUPQIJPDM-INIZCTEOSA-N 319.449 3.201 10 10 DGCE COc1cc(Cl)cc(CN2CC[C@@]3(CCCOC3)C2)c1O 375301377 GHFHITNXWRFDKY-INIZCTEOSA-N 311.809 3.057 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNCC(O)(C1CC1)C1CC1 689604284 WOUKXQSHKYDQMD-UHFFFAOYSA-N 316.228 3.340 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)c1cccn1Cc1ccccc1 703112051 MBTCOCDOWBGJKR-HNNXBMFYSA-N 309.373 3.451 10 10 DGCE COc1cc(C)cc(CN2CC[C@H](CC(F)(F)F)C2)c1O 766116891 JAXFMSZDIXBPDO-LLVKDONJSA-N 303.324 3.484 10 10 DGCE C[C@@H](NC[C@H]1CC12CCSCC2)c1cc([N+](=O)[O-])ccc1O 817589219 MGWIFUDGPBCRGK-VXGBXAGGSA-N 322.430 3.484 10 10 DGCE C[C@H](N[C@H]1CC12CCNCC2)c1ccc(Cl)c(Cl)c1O 817976150 HMJLCKSCGRJRKW-CABZTGNLSA-N 315.244 3.492 10 10 DGCE CCOc1cccc(CN2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1O 824696310 KXJURFRMTFENJT-BBWFWOEESA-N 319.445 3.306 10 10 DGCE C[C@@H](NC(=O)N1CCC[C@](C)(F)C1)c1ccc(N(C)C)cc1 836405361 DLSOLFJEIDSZLZ-DYVFJYSZSA-N 307.413 3.347 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)c1cscn1 852514656 KEBYTPJYHUTDRA-LBPRGKRZSA-N 318.446 3.078 10 10 DGCE CC[C@H](C)N(CC)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 854295794 CEVPMVACNGYJKK-LSDHHAIUSA-N 319.449 3.104 10 10 DGCE c1cc(N2CCOCC2)ccc1CNC[C@H]1CCCC12CC2 858330547 BYGBFAPJYSWDIW-QGZVFWFLSA-N 300.446 3.193 10 10 DGCE Cn1cc(CCN[C@@H]2CCc3cccc(O)c32)c2cccnc21 866572597 CPVJBDUWHKDFAC-MRXNPFEDSA-N 307.397 3.099 10 10 DGCE C[C@@H]1C[C@H](NCCC[C@@H]2CCOC2=O)c2c(O)ccc(F)c21 872113216 NNTFIDJNPVIRCA-WZRBSPASSA-N 307.365 3.013 10 10 DGCE C[C@@H](NC[C@]1(c2ccccc2)C[C@H](O)C1)c1cc(F)ccc1O 903271619 OLYACVLHZMUYFG-VVFCZOMOSA-N 315.388 3.275 10 10 DGCE C[C@@H](NCCOC1CCOCC1)c1ccc2ccccc2c1O 927080157 QJQKCMGCRDMADO-CQSZACIVSA-N 315.413 3.392 10 10 DGCE C[C@@H](NC(=O)c1nccc2occc12)c1ccc(N(C)C)cc1 1128247908 WGZCEHIIJKDXQO-GFCCVEGCSA-N 309.369 3.385 10 10 DGCE O=C(NCc1c(O)cccc1O)c1ccc(C(F)(F)F)s1 1156886059 SGVZYBYKLDJESP-UHFFFAOYSA-N 317.288 3.108 10 10 DGCE COc1ccc2c(c1)C[C@H](C(C)C)CN2C[C@H]1COC(C)(C)O1 1171353549 NDRUHDWWEYYMEC-RDJZCZTQSA-N 319.445 3.481 10 10 DGCE CCn1cc(C(=O)NCc2c(O)cccc2F)c2ccccc21 1178409586 GQCUDTIIRVQQGA-UHFFFAOYSA-N 312.344 3.436 10 10 DGCE CC(C)[C@@H](Cc1ccccc1)NC(=O)NCc1ccccc1O 1565351312 CYFPVFVWXILLPF-QGZVFWFLSA-N 312.413 3.459 10 10 DGCE Cc1ncc(Br)cc1NC(=O)c1cc(O)cs1 1641201547 KSZUGUPJEXASGD-UHFFFAOYSA-N 313.176 3.172 10 10 DGCE C[C@H]1CN(Cc2ccc(N(C)C)cc2)CCN1C1CCCC1 1648327719 LPPCAZVKQOASGI-INIZCTEOSA-N 301.478 3.201 10 10 DGCE Oc1cc(Cl)ccc1CNCCOC(F)(F)C(F)(F)F 1660643275 LXKOTIHKUUBTEI-UHFFFAOYSA-N 319.657 3.307 10 10 DGCE CSc1cc(O)ccc1NS(=O)(=O)Cc1ccccc1C 1858060803 VKTRIMCYCSQELK-UHFFFAOYSA-N 323.439 3.364 10 10 DGCE CC[C@@H](C)N1C(=O)/C(=C\c2ccc(O)c(OC)c2)SC1=S 1858587791 BGIWYTCZJAVBNY-TVNQGELYSA-N 323.439 3.401 10 10 DGCE CNCc1ccc(N(CCO)Cc2ccccc2)cc1C1CC1 1901156453 LUABMGIFHUCKHP-UHFFFAOYSA-N 310.441 3.282 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2)C1 1912204803 YIZAZDDSPDXZTB-SNVBAGLBSA-N 314.798 3.051 10 10 DGCE C[C@@H](NCCc1ccncc1Br)c1ccccc1O 1927145062 SRWOUSRBQHSALN-LLVKDONJSA-N 321.218 3.443 10 10 DGCE CNCc1ccc(N2CC[C@](C)(F)C2)cc1Br 1946951622 WIIVCQSMGXVCQS-ZDUSSCGKSA-N 301.203 3.107 10 10 DGCE CC(C)(C)OC(=O)N1CC2(CC(Nc3ccc(N)cc3)C2)C1 1959359331 ITQSZMTZCZUGMD-UHFFFAOYSA-N 303.406 3.080 10 10 DGCE C[C@@H](N[C@@H]1CCCC2(CC1)OCCO2)c1ccc(F)cc1O 1967520733 GSKDWUTWLHGLIJ-TZMCWYRMSA-N 309.381 3.258 10 10 DGCE Cc1cccc(O)c1CN[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 1976875167 FOXXWCLZGLTVLL-CABCVRRESA-N 320.433 3.236 10 10 DGCE CN(C)c1ccc([C@@H](N)C(C)(C)N(C)C(=O)OC(C)(C)C)cc1 1977944271 CSZCOFSYUZGJKR-OAHLLOKOSA-N 321.465 3.398 10 10 DGCE CN[C@@H]1CCc2cc(N(Cc3ccccc3)[C@H](C)CO)ccc21 1986607629 XEOVUPLUAVPBIG-FOIQADDNSA-N 310.441 3.281 10 10 DGCE CC(C)(F)[C@H]1CCN(c2ccc(CN)cc2Br)C1 2028904813 KXVXDQHZDBIYNR-NSHDSACASA-N 315.230 3.482 10 10 DGCE CC[C@H]1CCOC[C@H]1NCc1c(O)cccc1Br 2035119091 HIPLULVIGWXTPT-GXFFZTMASA-N 314.223 3.059 10 10 DGCE CN(C[C@@H]1CC[C@@H]2C[C@@H]21)c1ccc(CO)cc1Br 2040239052 FGQFOESCNWQNAG-AGIUHOORSA-N 310.235 3.424 10 10 DGCE C[C@@H]1N(c2ccc(CN)c(Br)c2F)CCC1(F)F 2052005116 FMTSULKFVNTZGD-ZETCQYMHSA-N 323.156 3.281 10 10 DGCE CC[C@@](C)(CN(C)Cc1cccc(Br)c1O)OC 2066247552 MKJLZSPOIVHLPV-AWEZNQCLSA-N 316.239 3.402 10 10 DGCE CN(C[C@@H]1CCCOCC1)c1cc(Cl)c(CN)cc1F 2206863424 UDXVIOHJCANARM-LLVKDONJSA-N 300.805 3.191 10 10 DGCE COc1ccc(Br)c(CNCC(C)(C)CF)c1O 2220462868 RZWBAODREZDRSU-UHFFFAOYSA-N 320.202 3.249 10 10 DGCE Nc1ccc(CC[S@@](=O)C[C@H]2CCCCC2(F)F)cc1 2283108821 ZGMIULPFSDUAQU-ZUOKHONESA-N 301.402 3.386 10 10 DGCE CCc1ccc(C=C2SC(=S)N(CCCOC)C2=O)o1 2299300730 JELOGHLZGYASNU-UHFFFAOYSA-N 311.428 3.080 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)cc1Br 2308715674 AGOHZSALKXPWCT-SVUUNPHSSA-N 308.219 3.347 10 10 DGCE CC(C)c1nnsc1CN(C)c1ccc(CO)c(Cl)c1 2360870495 SCHHSQNMNCHGMU-UHFFFAOYSA-N 311.838 3.444 10 10 DGCE CC(C)CCN(CCC(C)C)CN1C(=O)CSC1=S 5384179 RIFTZHFXSYRAEW-UHFFFAOYSA-N 302.509 3.198 10 10 DGCE Oc1c(CN2CCCC2)cc(CN2CCCC2)c2cccnc12 6896447 IYPBJGIMODTRRX-UHFFFAOYSA-N 311.429 3.132 10 10 DGCE Cc1ccc2nc(/C=C3/SC(=S)N(C)C3=O)ccc2c1 20414004 FFKPPTOWJGAXIM-MDWZMJQESA-N 300.408 3.374 10 10 DGCE Cc1ccc(C(=O)N2CCc3cc(N4CCOCC4)ccc32)cc1 41121936 LAEKBMQSQAQDAD-UHFFFAOYSA-N 322.408 3.035 10 10 DGCE CN[C@H](C)c1ccc(N(CCOC)[C@H](C)COC)c(Cl)c1 61697726 NJCGHJHBDYOWHJ-CHWSQXEVSA-N 314.857 3.108 10 10 DGCE CC(C)[C@@H](C(=O)Nc1ccc(N)cc1)N1C[C@H](C)C[C@@H](C)C1 62461033 APQRTJKGUNXZCV-CPUCHLNUSA-N 303.450 3.210 10 10 DGCE Cc1ccc(-n2c(-c3cc(O)c(O)c(O)c3)n[nH]c2=S)cc1 75331823 WUFVCVMNHPTQLE-UHFFFAOYSA-N 315.354 3.022 10 10 DGCE Oc1ccc2ccccc2c1CNC[C@H]1COc2ccccc2O1 76273154 RCDRGCQPZXZRKL-HNNXBMFYSA-N 321.376 3.475 10 10 DGCE CCc1nc(-c2ccc(N(C)C)cc2)sc1CCC(=O)O 82424356 NTEBCHCSBBGZSQ-UHFFFAOYSA-N 304.415 3.456 10 10 DGCE COc1cccc(CN2CCCC[C@H]2c2cccn2C)c1O 93845472 ZHYGBIJADGSJIG-INIZCTEOSA-N 300.402 3.467 10 10 DGCE N[C@H](CC(F)(F)F)c1ccc(Br)c(F)c1O 95715897 AGFUQHSSXBAKDD-ZCFIWIBFSA-N 302.065 3.246 10 10 DGCE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@@H]1CC=CCC1 121612803 ZNNICILFFYIHCA-CQSZACIVSA-N 309.369 3.337 10 10 DGCE COCCN(C)c1ccc(CNC2CC2)cc1C(F)(F)F 163689498 BSZBPSRHCGUJGJ-UHFFFAOYSA-N 302.340 3.040 10 10 DGCE Cc1cc(C)c(O)c(CN2CCO[C@H](c3nccs3)C2)c1 164367024 SWZAAJMYVZJVSS-AWEZNQCLSA-N 304.415 3.039 10 10 DGCE Cc1nccn1C[C@@H]1CCCN1Cc1cc(Cl)ccc1O 180126071 OXZFRHZNKPUHAM-HNNXBMFYSA-N 305.809 3.215 10 10 DGCE CC(C)c1nc2n(n1)CCC[C@@H]2N[C@H](C)c1ccc(F)cc1O 185683931 JAYPRKSLQLJLFR-RISCZKNCSA-N 318.396 3.432 10 10 DGCE CC(C)(N)c1cc(Br)cc(Br)c1O 238147331 GUYIFYGULFIPNW-UHFFFAOYSA-N 309.001 3.111 10 10 DGCE CCN1CCN(C(=O)N(c2ccccc2)c2ccc(N)cc2)CC1 242794192 FBLSQCQIVSFNML-UHFFFAOYSA-N 324.428 3.164 10 10 DGCE C[C@H](N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(O)cc1O 302872800 UMGZTJNHTZZUCH-HOCLYGCPSA-N 312.413 3.023 10 10 DGCE C[C@H](NC1CC(N2CCCCC2)C1)c1ccc(N(C)C)cc1 366427891 DBXSVSPEXFISRG-DMKPSLHHSA-N 301.478 3.420 10 10 DGCE CC[C@@H](N[C@H]1CCc2nc[nH]c2C1)c1cccc(Cl)c1O 377799268 SNACTOYNDQYKRS-GXFFZTMASA-N 305.809 3.367 10 10 DGCE C[C@@H](NCc1ccc(Br)o1)c1c(O)cccc1O 378945448 LPILIUVAPOPYPA-MRVPVSSYSA-N 312.163 3.304 10 10 DGCE COc1ccc([C@H]2CN(Cc3ccc(N)cc3)C(=O)O2)cc1F 585907264 WFTAGSFXQKFGPR-MRXNPFEDSA-N 316.332 3.110 10 10 DGCE C[C@H]1CC[C@@H](N(C)Cc2ccc(Br)cc2O)CO1 691684383 VGHRXZCKEUVTEJ-GXFFZTMASA-N 314.223 3.154 10 10 DGCE O=C(O)/C=C/c1ccc(N2C[C@@H]3CSC[C@H]3C2)cc1Cl 711579087 YDNCKDJXZHDWMG-VNPHXJNISA-N 309.818 3.237 10 10 DGCE CCN(Cc1ccc(Br)cc1O)C1CCOCC1 716481729 MROSHHUOTHQJRO-UHFFFAOYSA-N 314.223 3.156 10 10 DGCE OCc1ccc(N2CCS[C@H](C(F)(F)F)C2)c(Cl)c1 721386615 XPSAUOWUPVNLSP-NSHDSACASA-N 311.756 3.316 10 10 DGCE O=C(Cc1csc2ccccc12)NCc1ccc(O)c(O)c1 778917119 XQGINAQBDVPUOR-UHFFFAOYSA-N 313.378 3.171 10 10 DGCE CCOc1ccc(O)c(CNc2ccc3ccc(=O)n(C)c3c2)c1 785534884 PDXPPVPAAXPJCW-UHFFFAOYSA-N 324.380 3.255 10 10 DGCE C[C@H]1C[C@H](NC[C@@H](O)Cc2ccccc2)c2c(O)ccc(F)c21 806167706 GFLUYATTWWXVJS-NOLJZWGESA-N 315.388 3.273 10 10 DGCE CCOc1ccc(O)c(CN2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1 824695696 BHFCFEKFGLCFBD-LMMKCTJWSA-N 319.445 3.306 10 10 DGCE CCN(CC)c1ccc(CNC(=O)N2CC[C@H]2C2CC2)cc1 837726396 YKIDDYQQCGZVCG-KRWDZBQOSA-N 301.434 3.227 10 10 DGCE C/C(=C\c1cccnc1)C(=O)NCc1c(O)ccc2c1CCCC2 847590569 ATGOPCAYRSTJGZ-SDNWHVSQSA-N 322.408 3.386 10 10 DGCE Oc1cccc(Cl)c1CN1CCC[C@H](C2CCNCC2)C1 849350543 PUNKVRWSFSMRFX-AWEZNQCLSA-N 308.853 3.257 10 10 DGCE COc1cncc(CN(Cc2ccccc2O)C2CCCC2)n1 859140387 URLFYYWNUWRUEB-UHFFFAOYSA-N 313.401 3.136 10 10 DGCE CS[C@H]1C[C@H](N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 866487170 VJUDPRKYKDWUCX-QEJZJMRPSA-N 324.465 3.207 10 10 DGCE CCOC(=O)c1cc(CN[C@H](C)c2ccc(C)c(C)c2O)on1 866514334 JOCYRIWSFMOJRJ-GFCCVEGCSA-N 318.373 3.025 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)[C@H]1CC12CC(OCC)C2 866598767 OVNZMPVPUIZJER-KOHRHEQBSA-N 317.429 3.336 10 10 DGCE CCOC1CC2(C1)C[C@H]2C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 867505462 VJTQPQJJYQGHJT-FVYVLVSMSA-N 316.445 3.135 10 10 DGCE C[C@H](NCc1ncc(Cl)s1)c1cc([N+](=O)[O-])ccc1O 872117067 YHMXYLIWSYHJSY-ZETCQYMHSA-N 313.766 3.261 10 10 DGCE CC(=O)c1cc(F)cc(CN2CCC3(CCCCO3)CC2)c1O 880454633 HDHOCKIBQBKICZ-UHFFFAOYSA-N 321.392 3.269 10 10 DGCE Oc1cc(F)c(Cl)cc1CNC1(c2ncccn2)CCC1 895621822 AGQRSZGINJEARR-UHFFFAOYSA-N 307.756 3.144 10 10 DGCE C[C@@H](NCc1nc(CN(C)C)cs1)c1ccc(N(C)C)cc1 903226666 PDSKGPFKWXSXJE-CYBMUJFWSA-N 318.490 3.122 10 10 DGCE C[C@@H](N[C@@H](CO)CCc1ccccc1)c1cc(F)cc(F)c1O 903292175 CUOBGAGPDSYWJP-IUODEOHRSA-N 321.367 3.315 10 10 DGCE CCCC[C@](C)(CO)NCc1ccc(Br)cc1O 1118640294 HNUQRERESGSWSL-CQSZACIVSA-N 316.239 3.186 10 10 DGCE CO[C@]1(C)C[C@@H](N(C)Cc2cc(F)cc(C(C)=O)c2O)C1(C)C 1167491004 KJKUOQXQQGBWBY-CRAIPNDOSA-N 323.408 3.369 10 10 DGCE C[C@@H](NC(=O)N1Cc2cccc(O)c2C1)c1cccc(F)c1F 1224489718 LIIXAWBFRDOURO-SNVBAGLBSA-N 318.323 3.457 10 10 DGCE COc1cc(C)cc(CN[C@H](C)[C@](C)(O)c2ccccc2)c1O 1262111769 PDBBFPSFTDYLKE-KUHUBIRLSA-N 315.413 3.095 10 10 DGCE O=C(NCCCSc1nccs1)[C@H]1CCC[C@@H](F)C1 1325877749 GYSZGUMJAYCFLN-WDEREUQCSA-N 302.440 3.270 10 10 DGCE CC1(C)C[C@H](NC(=O)Cc2ccc(O)c(O)c2)c2ccccc21 1445718357 DBGVIARCCYZTON-HNNXBMFYSA-N 311.381 3.179 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)c1cnc2c[nH]nc2c1 1467497499 IOWOODQCSUZJOQ-UHFFFAOYSA-N 324.384 3.106 10 10 DGCE CCn1cc(C(=O)NCc2cccc(O)c2O)c2ccccc21 1471643275 GVSCJYCXUZTWHV-UHFFFAOYSA-N 310.353 3.002 10 10 DGCE CC1(C)CO[C@H](CC(=O)NCc2c(O)ccc3c2CCCC3)C1 1622664065 FIUDUKVQOTVTCD-CQSZACIVSA-N 317.429 3.092 10 10 DGCE COCc1nccc(NCc2cc(Cl)cc(Cl)c2O)n1 1651118630 ULOQYCFUWMMVOD-UHFFFAOYSA-N 314.172 3.248 10 10 DGCE Cn1c2c(c3cc(Cl)ccc31)C[C@H](C(=O)NC1CC1)CC2 1858153936 ZZOOQEHMXJYDIB-SNVBAGLBSA-N 302.805 3.215 10 10 DGCE C[C@@H](N)c1cnc(SCCN(C)C(=O)OC(C)(C)C)s1 1883305917 DMSXCNFTWQYHEZ-SECBINFHSA-N 317.480 3.122 10 10 DGCE [N-]=[N+]=N[C@@H]1CCN(C(=O)c2ccc(CSC(F)F)o2)C1 1912169701 NUHFFGKLDSBQDD-SSDOTTSWSA-N 302.306 3.260 10 10 DGCE Oc1ccc(Br)cc1CNC[C@@H]1CC[C@@H](F)C1 1945256777 WMYKXMLFIYOVTG-BXKDBHETSA-N 302.187 3.383 10 10 DGCE C[C@H]1[C@@H](CNCc2cccc(Br)c2O)C1(F)F 1947978039 IKJYVCIRVBKDOH-IONNQARKSA-N 306.150 3.146 10 10 DGCE CCc1c(NCc2ccc(Br)cc2O)cnn1C 1963189142 DJGIXQCJCNFLJE-UHFFFAOYSA-N 310.195 3.063 10 10 DGCE N[C@@H]1CCc2cc(N(Cc3ccccc3)[C@H]3CCOC3)ccc21 1986610786 UQZRXHWFQWJSBF-AZUAARDMSA-N 308.425 3.428 10 10 DGCE CC(C)(C)c1n[nH]cc1C=C1SC(N2CCCCC2)=NC1=O 2041465997 MOKQCCPQJCWYTI-UHFFFAOYSA-N 318.446 3.163 10 10 DGCE Cc1csc(C)c1S(=O)(=O)N1CCC[C@@H](N=[N+]=[N-])CC1 2155557135 UUCSQMFBOVHQDO-LLVKDONJSA-N 314.436 3.218 10 10 DGCE C[C@H](N=c1[nH]c(Cl)nc2c1SCC2)c1ccccc1O 2192622571 OVVRHZJRAAEYOV-QMMMGPOBSA-N 307.806 3.079 10 10 DGCE C[C@H]1OCC[C@H]1CCN(C)c1cc(Cl)c(CN)cc1F 2196313235 DUWVMDBHFJQWIN-GHMZBOCLSA-N 300.805 3.189 10 10 DGCE C[C@@H](O)c1ccc(N(C)C[C@]2(C)CSCCO2)cc1Cl 2201226173 GZPBYEVJSANWAE-IAQYHMDHSA-N 315.866 3.352 10 10 DGCE COc1ccc(N(Cc2ccccc2)CC(C)(C)O)cc1OC 2210907004 WRDYFNSRVNGZRD-UHFFFAOYSA-N 315.413 3.481 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@H]1NC(=O)c1nc(Cl)sc1Cl 2218740119 XRPRWNNDHKUTJR-UHNVWZDZSA-N 306.178 3.411 10 10 DGCE C[C@@H](NCCc1conc1Br)c1ccccc1O 2223001412 QHSXXCOMMJSDDP-SECBINFHSA-N 311.179 3.036 10 10 DGCE NCc1cc(F)c(N2CCC[C@@H](OC(F)F)C2)cc1Cl 2235666479 NTANYPOUXPAJPJ-SECBINFHSA-N 308.731 3.146 10 10 DGCE COc1cc(C(=O)[C@H](C)Oc2ccc(N)cc2)c(OC)cc1C 40353875 XXIHAHVRJBOQML-LBPRGKRZSA-N 315.369 3.245 10 10 DGCE Cc1oc(C(=O)O)cc1COc1ccc([N+](=O)[O-])c(Cl)c1 51361127 BECRDZIKKDLZLS-UHFFFAOYSA-N 311.677 3.427 10 10 DGCE C[C@@H](c1ccncc1)N1CCN(c2ccc(CN(C)C)cc2)CC1 71702716 DLCKSWQGESDYNN-KRWDZBQOSA-N 324.472 3.026 10 10 DGCE CC[C@@H](N[C@@H]1CCCOC1)c1cc(Br)ccc1O 109543680 RCWFITFJZSMEBD-DGCLKSJQSA-N 314.223 3.374 10 10 DGCE CNCc1ccc(N2CCOCC2(C)C)c(C(F)(F)F)c1 163689757 RTYXQVXRSHZDPE-UHFFFAOYSA-N 302.340 3.040 10 10 DGCE CCOC(=O)[C@H](NCCCN=[N+]=[N-])c1cccc(Cl)c1F 166895841 SAQOKMLNOOBOQI-GFCCVEGCSA-N 314.748 3.373 10 10 DGCE CSCc1cc(C(=O)NCc2ccc(O)c(O)c2)ccc1F 182513456 SYGFGVVKMBDHNV-UHFFFAOYSA-N 321.373 3.030 10 10 DGCE Cc1ccc(-c2nc(-c3ccc4c(c3)CCO4)no2)c(O)c1O 189937926 CUYZFGBTIRVGRA-UHFFFAOYSA-N 310.309 3.058 10 10 DGCE CCOc1cc(CNC(C)C)ccc1N1C[C@H](C)O[C@@H](C)C1 212715209 XCQMPIAXCUQVCR-GJZGRUSLSA-N 306.450 3.197 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H]1CNCc1cc(F)ccc1O 226609886 FFDZGIDUGYRMPD-CQSZACIVSA-N 324.396 3.020 10 10 DGCE CCCN(c1ccc(CN)c(Br)c1F)C1CC1 231838907 AABRZUNLUANWJA-UHFFFAOYSA-N 301.203 3.426 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN(C[C@@H]1CCCN1)C1CC1 236590604 UMMHDAAQSDEOAC-LBPRGKRZSA-N 315.244 3.415 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNCC1(O)CCSCC1 304331023 VGQRQPXUFCTCJJ-UHFFFAOYSA-N 322.257 3.047 10 10 DGCE CCN[C@@H]1C(=O)Nc2cc(N(Cc3ccccc3)C3CC3)ccc21 383587640 QJPSPSAOEOCEPW-IBGZPJMESA-N 321.424 3.458 10 10 DGCE COc1ccc([C@@H](C)NCCOCc2ccccc2)c(O)c1 390088828 HQFXVDNPWOZKFO-CQSZACIVSA-N 301.386 3.268 10 10 DGCE CN1CCCc2cc(CN(CC(=O)O)Cc3ccccc3)ccc21 692429451 VPDBITZSPGLPNS-UHFFFAOYSA-N 324.424 3.156 10 10 DGCE Cc1ccc(C(=O)NCc2oc3ccccc3c2C)c(O)c1O 770493689 GRTDFAXJZHEBDO-UHFFFAOYSA-N 311.337 3.391 10 10 DGCE CC[C@H]1CN(Cc2cc(C)cc(Br)c2O)CCO1 781896692 MHZLNPLZXSLCOL-LBPRGKRZSA-N 314.223 3.074 10 10 DGCE COc1ccc2c(c1)CCCCN2Cc1cnc(OC)nc1C 799149734 SQBLPEGMSOGLLX-UHFFFAOYSA-N 313.401 3.145 10 10 DGCE CC(C)c1ncc(CN(C)Cc2cc3c(cc2O)CCC3)cn1 799580584 YZVMHQRJYLKNQE-UHFFFAOYSA-N 311.429 3.426 10 10 DGCE Cc1cc(C)c([C@H](C)NC[C@H]2COc3ccccc3O2)c(O)c1 815553893 MQJJTCRALZYAJX-GJZGRUSLSA-N 313.397 3.500 10 10 DGCE Nc1ccc(NC(=O)N2CCO[C@H](C3CCCCC3)C2)cc1 841296069 OIJWXXBPQMUBCJ-INIZCTEOSA-N 303.406 3.082 10 10 DGCE CC(C)(C)OC(=O)[C@@H]1CC[C@H](N[C@H]2CCc3cccc(O)c32)C1 842934734 YSIDMZKPAQLEJG-ILXRZTDVSA-N 317.429 3.480 10 10 DGCE COc1ccc(O)c(CNCC[C@@H]2CCc3ccccc3N2)c1 844912364 SPGAVPHSLIUFFY-INIZCTEOSA-N 312.413 3.307 10 10 DGCE CCc1cccc(CNCc2cc(OC)c(OC)cc2O)c1 846100181 KHUUPZSPOBFOBS-UHFFFAOYSA-N 301.386 3.262 10 10 DGCE COc1cccc([C@H](C)N[C@H](C)[C@H](O)c2ccccc2)c1O 846169553 FEBIWLGPNUCOOB-AHIWAGSCSA-N 301.386 3.174 10 10 DGCE CCc1cccc(CN[C@H](c2nnc3ccccn23)C(C)C)c1O 848899110 CDXOJKRMACKCPM-KRWDZBQOSA-N 324.428 3.484 10 10 DGCE COc1ccc(N(CC(C)C)C[C@H](OC)[C@@H]2CCOC2)cc1 851829496 IFNSNMAHWQQCSH-QAPCUYQASA-N 307.434 3.209 10 10 DGCE CC(C)(C)OC(=O)[C@H](CNCc1ccccc1O)C1CCC1 853095116 IXAFEMXCVUQQHW-OAHLLOKOSA-N 305.418 3.240 10 10 DGCE C[C@@H](NC(=O)N[C@@H]1C[C@H]1c1ccsc1)c1ccccc1O 868812359 BEBNRAXTQTUMAS-DDTOSNHZSA-N 302.399 3.370 10 10 DGCE C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@]12CCCC[C@H]1C2 870529488 OBOMJVMLZVGSKP-WCLSZNLYSA-N 301.386 3.196 10 10 DGCE COC(=O)c1ccccc1N=Nc1cc(C=O)c(O)c(OC)c1 1081393655 WIGOKYQJFLNFRJ-UHFFFAOYSA-N 314.297 3.415 10 10 DGCE CC1(C)CO[C@H](CN(Cc2ccccc2O)C[C@H]2CCCO2)C1 1192012754 JXWSEVNAYDYOAR-SJORKVTESA-N 319.445 3.188 10 10 DGCE COc1ccc2[nH]c(C(=O)N[C@@H](C)c3ccccc3O)cc2c1 1302538237 KQVUXDHZIDKQMD-NSHDSACASA-N 310.353 3.373 10 10 DGCE C[C@H]1C[C@@H]1n1c(C2CCC2)nnc1N(C)Cc1ccccc1O 1304960758 LTQPCQGZACHDLD-WFASDCNBSA-N 312.417 3.469 10 10 DGCE COc1cc(NC(=O)Cc2ccc(O)c(O)c2)cc2ccccc12 1456177741 MWDGGAUUWOAAIH-UHFFFAOYSA-N 323.348 3.441 10 10 DGCE C[C@H](NC(=O)c1cccnc1Br)c1ccccc1O 1457975076 YLBHRPPRODHZGV-VIFPVBQESA-N 321.174 3.041 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H](c3ccccc3)C2)cc1 1542379624 TZPWTJZLVNHZLS-OAHLLOKOSA-N 322.368 3.479 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)Nc2ccnc3ccncc23)cc1 1545242046 BBADAYTUKBWJIT-UHFFFAOYSA-N 320.312 3.045 10 10 DGCE Cc1cccc(CCNC(=O)c2ccc(N=NC(N)=O)cc2)c1 1626475533 SHOOUZJKCUWTNO-UHFFFAOYSA-N 310.357 3.130 10 10 DGCE CC(=O)c1cc(F)cc(CN2CCSC[C@@H]2C2CCC2)c1O 1653952732 GHRSRFLJSWFLRA-MRXNPFEDSA-N 323.433 3.451 10 10 DGCE COc1ccc(CNC[C@@]2(NC(C)=O)CCCC[C@@H]2C)cc1C 1666043241 KBNRVCAYORXKFN-KXBFYZLASA-N 318.461 3.178 10 10 DGCE COc1ccc(CNCC2CC(NC(=O)CC(C)C)C2)cc1C 1700369309 ZQNQKUBBAOAOPW-UHFFFAOYSA-N 318.461 3.034 10 10 DGCE CCCCn1c(CC2CC2)nnc1N(C)Cc1ccccc1O 1728064274 SFVOYBYEBRFRCE-UHFFFAOYSA-N 314.433 3.373 10 10 DGCE CC(C)(C)c1ccccc1NC(=O)c1cc(O)c(O)c(O)c1 1865876242 YZKXLUGWOQTGDL-UHFFFAOYSA-N 301.342 3.353 10 10 DGCE CC[C@@H](O)CN(Cc1ccccc1)c1ccc(CO)cc1F 1915097453 VQLLWCLPGASVCW-MRXNPFEDSA-N 303.377 3.096 10 10 DGCE C[C@H](NCc1ccc(Br)cc1O)[C@H]1CCSC1 1942256159 LHWYXDLNGWGGIH-ONGXEEELSA-N 316.264 3.386 10 10 DGCE Nc1ccc(CN[C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)cc1 1944061273 GXDCYMOPFUUHFZ-SESVDKBCSA-N 321.468 3.269 10 10 DGCE C[C@H](O)c1ccc(N2C[C@@H](C)[C@@H](F)C2)c(Br)c1 1947312720 JFWUHVBOTCKBMU-PTRXPTGYSA-N 302.187 3.297 10 10 DGCE CN(C(=O)OCc1ccccc1)C1CN(CCCCN=[N+]=[N-])C1 1954207551 XMVKFAMFLFZBKY-UHFFFAOYSA-N 317.393 3.030 10 10 DGCE C[C@H](Nc1ccccc1N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 1959360999 JKBZNICPDOAXLY-STQMWFEESA-N 305.422 3.326 10 10 DGCE CC(C)(C)OC(=O)NCC[C@H]1CCCCN1CCCN=[N+]=[N-] 1962288063 QRXPAPKEVNSPGQ-CYBMUJFWSA-N 311.430 3.456 10 10 DGCE CC(C)(C)[C@](C)(O)CNCc1ccc(Br)cc1O 1964605883 MLQAKQGJIRZTLD-CQSZACIVSA-N 316.239 3.041 10 10 DGCE C[C@@H](NCc1cc(Cl)cc(Cl)c1O)C12CC(CO1)C2 1966042425 SJBBRRYSTALURU-NQTXRORDSA-N 302.201 3.356 10 10 DGCE CO[C@H]1CN(Cc2c(O)cccc2Br)CC1(C)C 1967794921 YHXBFJLKSWXJBA-ZDUSSCGKSA-N 314.223 3.012 10 10 DGCE CCN1CCc2cc([C@@H](O)[C@@H](C)NC(=O)OC(C)(C)C)ccc21 1977939290 PAIBNFGJGXARDE-WBMJQRKESA-N 320.433 3.016 10 10 DGCE COc1ccc(CN[C@@H]2CC[C@@H]2NC(=O)OC(C)(C)C)cc1C 1986711007 AAGLUOXMHWNACC-CABCVRRESA-N 320.433 3.149 10 10 DGCE C[C@H]1CN(Cc2c(O)cccc2Br)CC1(F)F 1996514978 UMNQALSAPJMISK-QMMMGPOBSA-N 306.150 3.242 10 10 DGCE CC[C@@H](C(F)F)N(C)c1ccc(CN)cc1Br 2009015069 NKSXSSNDSPGFPO-JTQLQIEISA-N 307.182 3.388 10 10 DGCE CN(c1ccc(CO)cc1Br)[C@@H]1[C@H]2C[C@@H]2[C@H]2C[C@H]21 2047812168 NNBKNPRQKDGQMA-CYRTVHNOSA-N 308.219 3.032 10 10 DGCE COc1cc2c(cc1OC)N(CCC=CBr)CC2 2051112820 MNWNIGFJNHXAGJ-UHFFFAOYSA-N 312.207 3.365 10 10 DGCE CCO[C@@H](CNCc1ccc(Br)cc1O)C(C)C 2068089556 GVAOZKWLBPXPKG-AWEZNQCLSA-N 316.239 3.305 10 10 DGCE CNC(=O)c1cc(C2CCC2)nn1[C@@H](C)c1cccc(C)c1O 2070052097 SRUGJYZEUJKCEP-LBPRGKRZSA-N 313.401 3.134 10 10 DGCE Cc1ccc(Cn2cc(C(=O)OC(C)(C)C)c(C)n2)c(O)c1 2070258659 KWCLKOQRTZFSBB-UHFFFAOYSA-N 302.374 3.209 10 10 DGCE CN(c1ccc(CO)c(Br)c1)[C@@H]1C2C[C@@H]3C1[C@@H]3C2 2070845647 RZPHCLSVHTWWAA-JNLWSYMGSA-N 308.219 3.032 10 10 DGCE C[C@]12C[C@@H]1CN(c1ccc(C=CC(=O)O)cc1Br)C2 2096039051 SPBGYLHPIROTND-IAQYHMDHSA-N 322.202 3.393 10 10 DGCE COC(=O)c1cnc(Sc2nc3ccc(N)cc3s2)s1 2182629533 KYQRWDOSSASCTM-UHFFFAOYSA-N 323.424 3.273 10 10 DGCE O=C(C=Cc1ccc(Cl)nc1)N1CCOc2cc(F)ccc21 2304414325 QJAOZYYKAFUQMJ-UHFFFAOYSA-N 318.735 3.313 10 10 DGCE CCOC(=O)N1CCN(N=Nc2c(C)cccc2CC)CC1 2330206357 QWAGHQMTUCNYLS-UHFFFAOYSA-N 304.394 3.330 10 10 DGCE CCSC1=NSC2=NC(=O)/C(=C/c3ccccc3)C(=N)N12 33734574 FGSCSROLYISYMJ-BTIHMXIBSA-N 316.411 3.016 10 10 DGCE COc1ccc2c(c1)N[C@@](C)(C(C)C)CN2C[C@@H](C)C(N)=S 75280963 YDPMYYQNTWGHEM-SJKOYZFVSA-N 321.490 3.264 10 10 DGCE CSCCCCNC(=O)NCc1ccc(N(C)C)cc1C 77792904 XFTXRGGUAMELSD-UHFFFAOYSA-N 309.479 3.003 10 10 DGCE CC[C@@H]1CN(c2cc(Cl)c(OC)cc2OC)[C@H](CC)CN1 86220356 WZEKANAAWBBZST-VXGBXAGGSA-N 312.841 3.324 10 10 DGCE COCCNCc1ccc(N(C)CCC(F)(F)F)c(C)c1 88432377 ICNMDTXAYZULAC-UHFFFAOYSA-N 304.356 3.120 10 10 DGCE COC(=O)[C@@H](NCCN=[N+]=[N-])c1c(Cl)cccc1Cl 90257076 GPIVVYCTMJSMKY-JTQLQIEISA-N 303.149 3.107 10 10 DGCE CC(C)CC[C@@H](N)c1ccc(I)cc1O 95782870 DUZNQCDFEZQGGV-LLVKDONJSA-N 319.186 3.433 10 10 DGCE Cc1cnn([C@H]2CCCN(Cc3cc4c(cc3O)CCC4)C2)c1 152935298 NQUZDVXURQLCPI-SFHVURJKSA-N 311.429 3.223 10 10 DGCE CCOCCN(C)c1ccc([C@@H](C)NC)cc1Br 157979393 PFZGQGNSPNLVJZ-LLVKDONJSA-N 315.255 3.202 10 10 DGCE COc1cc(O)c(CN2CCC[C@@H]2c2ccco2)cc1OC 160206731 YSZNHBHZXBEUME-CYBMUJFWSA-N 303.358 3.340 10 10 DGCE Oc1c(Cl)cccc1CNc1cccnc1-n1cccn1 165002843 LDJIIIFBEQOEQV-UHFFFAOYSA-N 300.749 3.238 10 10 DGCE CC[C@H](NC[C@H](C)Cn1ccnc1)c1ccc(N(C)C)cc1 178057079 JGFIOXMSZYMBKY-YJBOKZPZSA-N 300.450 3.326 10 10 DGCE COc1ccc(O)c([C@H](C)Nc2nc(C)ccc2[N+](=O)[O-])c1 178211306 WEHNFVHVESADHW-JTQLQIEISA-N 303.318 3.186 10 10 DGCE CCN(CC)c1ccc(CNc2nccn(C3CC3)c2=O)cc1 182802493 DQKLWSCVSPRWNV-UHFFFAOYSA-N 312.417 3.037 10 10 DGCE Cc1cccc(N2CCC(N[C@@H](C)c3ccccc3O)CC2)n1 183518000 JXHDCIQBRTVJHA-HNNXBMFYSA-N 311.429 3.415 10 10 DGCE C[C@@H](NCc1cc(C(N)=O)co1)c1ccc2ccccc2c1O 187704744 AMJGQNIYQBDXJY-LLVKDONJSA-N 310.353 3.088 10 10 DGCE C[C@H](NCc1ccc(NC(N)=O)cc1)c1ccc(F)c(F)c1O 191196724 SDOGCWFTKNKHFJ-VIFPVBQESA-N 321.327 3.012 10 10 DGCE Nc1ccc(CC(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1 232399346 KXKWGLGPNUGUJU-UHFFFAOYSA-N 311.168 3.462 10 10 DGCE C[C@@H](N[C@H]1C[C@H]2CC[C@H]1O2)c1ccc(Br)cc1O 248491101 IOFRPKJOJZYGDP-QLXFMQRKSA-N 312.207 3.125 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c1 248529697 WZEHTVZGWQUYOY-GGBBIFEXSA-N 317.429 3.399 10 10 DGCE O=C(NCc1ccccc1O)NCC1CC(c2ccccc2)C1 283670327 SEVYROHPHDJIBU-UHFFFAOYSA-N 310.397 3.385 10 10 DGCE c1cc(N2CCOCC2)ccc1CNC[C@@H]1CC[C@H]2C[C@H]2C1 403174548 DRAWCMDCJMZFIT-FGTMMUONSA-N 300.446 3.049 10 10 DGCE O=C(/C=C/c1cnccn1)N1CCSc2ccc(Cl)cc21 491150873 ITQYRZOEOLORCR-DUXPYHPUSA-N 317.801 3.282 10 10 DGCE Nc1ccc(CN2C[C@H](c3ccc(F)c(F)c3)OC2=O)cc1 585898505 XAQRXILVSWPTBH-OAHLLOKOSA-N 304.296 3.241 10 10 DGCE C[C@@H]1CN(c2ccc(OC(F)(F)F)cc2Cl)CCCN1 704222758 LPBOBKLMXPNECN-SECBINFHSA-N 308.731 3.427 10 10 DGCE O=S(=O)(Nc1ccc(O)c(Cl)c1)C1CC2(CCC2)C1 717668110 ZNKWVHNQLYEYBI-UHFFFAOYSA-N 301.795 3.120 10 10 DGCE COCC(C)(C)CCNCc1c(O)cccc1Br 718740469 LXBDFUNWCQFONB-UHFFFAOYSA-N 316.239 3.307 10 10 DGCE Cc1ccc(CC[C@H](C)NC(=O)N(C)Cc2ccccc2O)o1 745884256 ZGSWHMNRRLEKBT-ZDUSSCGKSA-N 316.401 3.456 10 10 DGCE Cc1cc(N(C)C)ccc1CNc1ncncc1Br 765505616 KSDFYDIAJPROCZ-UHFFFAOYSA-N 321.222 3.226 10 10 DGCE CO[C@@H]1CCC[C@H](N[C@H](C)c2ccc(N3CCOCC3)cc2)C1 773084605 URQGKWXZVDTBLM-HHXXYDBFSA-N 318.461 3.131 10 10 DGCE C[C@@H](NC(=O)N1CCC[C@H]1C1CC1)c1ccc(N(C)C)cc1 773615992 CQFHSHQVDIVTJD-DYVFJYSZSA-N 301.434 3.398 10 10 DGCE CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](C)[C@@H](F)C2)cc1 778620175 JCPSHWLOCRADRQ-PBHICJAKSA-N 321.440 3.422 10 10 DGCE c1cc([C@H]2OCCC[C@@H]2NCc2ccc3c(c2)CCO3)ccn1 780039525 NOXIMYMGIZFOIL-PKOBYXMFSA-N 310.397 3.026 10 10 DGCE COC(=O)CC1(NCc2cc(Cl)cc(C)c2O)CCCC1 793232548 XTOXDNOHLLWIHP-UHFFFAOYSA-N 311.809 3.320 10 10 DGCE Cc1ccc(O)c([C@@H](C)N[C@H]2COc3ccc(F)cc3C2)c1 808729254 WIHVYWIQZLXETN-IUODEOHRSA-N 301.361 3.494 10 10 DGCE C[C@H](N[C@H]1CC12CC2)c1cc(Br)c(F)cc1O 818357167 VUVFASOGPJOLQD-MADCSZMMSA-N 300.171 3.497 10 10 DGCE CC[C@H]1CC[C@H](N2C(=O)CN(Cc3ccccc3O)C2=O)CC1 819170145 XCDVIKAJKCKTNW-CTYIDZIISA-N 316.401 3.125 10 10 DGCE CCOC1(C(=O)NCc2ccc(N3CCCCC3)cc2)CCC1 824261445 DAYDTJMVLRNHRU-UHFFFAOYSA-N 316.445 3.252 10 10 DGCE Cc1cc(O)c(CN2CC[C@@H]([C@H](O)C(F)(F)F)C2)cc1Cl 826097028 MNGMTFPJIVCAMD-RNCFNFMXSA-N 323.742 3.099 10 10 DGCE CC(C)Cc1c[nH]c(C(=O)NCc2ccc3cccnc3c2O)c1 862024600 CEWMUFMDURKTPQ-UHFFFAOYSA-N 323.396 3.397 10 10 DGCE C[C@H](NCC(=O)Nc1ccc(Cl)c(F)c1)c1ccccc1O 1460641180 YJEBKEYMHWROIZ-JTQLQIEISA-N 322.767 3.474 10 10 DGCE C[C@@H](NC(=O)c1cncn1-c1ccccc1)c1ccccc1O 1587445202 WRLYVINJBFEUAN-CYBMUJFWSA-N 307.353 3.069 10 10 DGCE C[C@@H](NC(=O)c1cccc(O)c1O)c1cc(Cl)ccc1F 1632325910 CKNFOJDNZAUUBN-MRVPVSSYSA-N 309.724 3.381 10 10 DGCE Cc1ccc(C(=O)N[C@@H]2c3ccccc3CC[C@H]2F)c(O)c1O 1643473426 QDCNIDPBMDLXLH-HUUCEWRRSA-N 315.344 3.162 10 10 DGCE CCn1cc(C(=O)N[C@H](C)c2ccccc2O)c(C(C)C)n1 1648889627 FNMZJLLGQHGHTJ-GFCCVEGCSA-N 301.390 3.223 10 10 DGCE CC[C@@H]1C[C@H]1CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1 1682510631 YJLWGHTXWZACLI-SJORKVTESA-N 315.461 3.474 10 10 DGCE C[C@@H](NC(=O)c1cnccc1Br)c1ccccc1O 1877567960 QJBPWPPQHNUYKN-SECBINFHSA-N 321.174 3.041 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@]2([C@H](N)c2ccccc2O)C1 1936985181 SKBHUKJPYPHPHW-AOFRTTMKSA-N 318.417 3.085 10 10 DGCE O=C1CCCCN[C@H]1c1cc(Cl)cc(Br)c1O 1952321047 KCHXTAPJBMAOJD-NSHDSACASA-N 318.598 3.192 10 10 DGCE CN(Cc1ncsc1Br)c1ccc(CN)cc1 1967634108 FDBRIVNMALQZOI-UHFFFAOYSA-N 312.236 3.001 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@@H]32)cc1Br 2053731501 WKYOMPVZTNEWKI-SVUUNPHSSA-N 307.235 3.313 10 10 DGCE COC[C@@]1(C)CCN1c1ccc([C@H](C)N)cc1Br 2055900460 BNDUKSDDSWQUOE-IINYFYTJSA-N 313.239 3.084 10 10 DGCE Cc1ccc([C@H](O)[C@@H](N)c2ccccc2O)cc1Br 2091867592 NFXWADRIAWVZKP-GJZGRUSLSA-N 322.202 3.197 10 10 DGCE CNCc1cc(F)c(N(C)C[C@@H]2SCC[C@H]2C)c(F)c1 2150867995 MPBMDYNVBGSWIF-YGRLFVJLSA-N 300.418 3.262 10 10 DGCE COc1cc(Cl)cc(CNC[C@H]2C[C@@H]2C(F)(F)F)c1O 2159784142 FLMIDGFJELGCSW-XCBNKYQSSA-N 309.715 3.342 10 10 DGCE CP(C)(=O)[C@@H]1CCCCN1c1c(F)cc(CO)cc1F 2164509657 XETVTWPORVFBEA-CYBMUJFWSA-N 303.289 3.396 10 10 DGCE Cc1cc(F)c(Br)cc1C(=O)N(C)CCN=[N+]=[N-] 2258078283 GPCWWCGUFPOWOZ-UHFFFAOYSA-N 315.146 3.279 10 10 DGCE Cc1cncc(C=CC(=O)N2C[C@H](C)Oc3cc(F)ccc32)c1 2302389048 NKQIQHSHUUVRQS-ZDUSSCGKSA-N 312.344 3.356 10 10 DGCE CON(Cc1ccc(C)c(Br)c1O)CC1CC1 2307564958 GOVVNVKBUYJZOQ-UHFFFAOYSA-N 300.196 3.237 10 10 DGCE COc1ccc(N=NN(C)CCc2ccncc2)cc1OC 2318776074 VVCGQTZFPFAZBX-UHFFFAOYSA-N 300.362 3.272 10 10 DGCE CCCC1=NN(CCC)C(=O)C1=Cc1cc(OC)ccc1OC 2332114816 SMUAUWNKMJGERK-UHFFFAOYSA-N 316.401 3.496 10 10 DGCE CSCCC(=O)NCc1ccc(N2CCC(C)CC2)cc1 108295889 FEKPWMSXJNEPQC-UHFFFAOYSA-N 306.475 3.292 10 10 DGCE CCCN(Cc1ccccc1O)Cc1nnc(C(C)C)n1C 170779133 LBNZOAQWMKFUCC-UHFFFAOYSA-N 302.422 3.056 10 10 DGCE CCN(CC(=O)NC(C)C)Cc1ccc(N2CCCCC2)cc1 179585427 QIPVLZLHVRYUEK-UHFFFAOYSA-N 317.477 3.023 10 10 DGCE NCc1cc(F)c(N2C[C@H]3CCC[C@H]3C2)cc1Br 310711019 CJKXJVTZPPGVIZ-AOOOYVTPSA-N 313.214 3.283 10 10 DGCE CCN(c1ccc([C@@H](C)N)cc1Br)[C@@H](C)COC 61697873 PWWLGKKNNUUBHR-WDEREUQCSA-N 315.255 3.330 10 10 DGCE COc1ccc(CNCc2ncc(-c3ccccc3)cn2)c(O)c1 185870570 POPCMOQPJGYPTK-UHFFFAOYSA-N 321.380 3.148 10 10 DGCE COc1cc(OC)c(N2CCC[C@H](NC3CC3)C2)cc1Cl 71198071 YJZZHMZZTQYWDY-LBPRGKRZSA-N 310.825 3.078 10 10 DGCE CSc1ncc(CNCC23COC(C(F)(F)F)(C2)C3)s1 2363483918 NPVGEXXEDRCFQS-UHFFFAOYSA-N 324.393 3.066 10 10 DGCE CCOc1cccc2c1ncc1c(O)c(C(=O)OC)sc12 72237118 UQEUORKKCZZTGE-UHFFFAOYSA-N 303.339 3.340 10 10 DGCE C[C@H](CC[S@](=O)CCCOc1ccc(N)cc1)C(F)F 2364121256 DZMVPPBETFLSKJ-BIBXISHDSA-N 305.390 3.078 10 10 DGCE CC[C@H](N[C@@H]1CCCn2nc(C)nc21)c1ccc(N(C)C)cc1 90225405 OTIWEBPHXBHVHU-DLBZAZTESA-N 313.449 3.228 10 10 DGCE C[C@@H](N)c1ccc(N(C)[C@@H]2CCO[C@@H]2C)cc1Br 235208451 UGBIOUMPNMKXPW-GPCCPHFNSA-N 313.239 3.082 10 10 DGCE NCc1ccc(N2CC[C@@H](COCc3ccccc3)C2)cc1F 383903683 KNSDBKBLQCXFTI-MRXNPFEDSA-N 314.404 3.328 10 10 DGCE CC[C@H](N[C@H](C)c1ccc(N(C)CC)cc1)[C@@H](O)C(F)F 296633479 XNHBYCAMWDXOGU-BYCMXARLSA-N 300.393 3.198 10 10 DGCE C[C@@H](CC(C)(C)NC/C=C\c1ccc(N(C)C)cc1)C(=O)O 904019190 SARLFLIRTFCECO-AFNCTOJWSA-N 304.434 3.245 10 10 DGCE CC(C)[C@H]1CC[C@@H]1NCc1cc(F)c(N2CCOCC2)c(F)c1 839144638 IUVFUSQDTIHVNE-PBHICJAKSA-N 324.415 3.326 10 10 DGCE Cc1cc(Cl)cc(CN[C@H]2CCCN3CCCC[C@@H]23)c1O 848928011 UCLPATMISMCRMO-HOTGVXAUSA-N 308.853 3.461 10 10 DGCE Oc1c(F)cccc1CNCC[C@@H]1CCc2ccccc2N1 844911998 QOWNDTYNQCLUTR-HNNXBMFYSA-N 300.377 3.438 10 10 DGCE CCN(CC)c1ccc(CN2CC[C@@H]3CNC[C@@H]3CC2)cc1F 843126594 LBFZVPHFGSBUKC-CALCHBBNSA-N 319.468 3.103 10 10 DGCE COc1cccc(O)c1CNC[C@H]1CSc2ccccc2O1 842726232 DDNSJVNIXJRAEH-LBPRGKRZSA-N 317.410 3.044 10 10 DGCE C[C@H](N[C@H]1c2ccccc2CC[C@H]1O)c1cc(F)ccc1O 927139965 PGTDINPANLASTM-PDSMFRHLSA-N 301.361 3.230 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)C[C@H]3CCC[C@H]3C)C2)cc1 855223665 CETABBIFVBFHIE-OAGGEKHMSA-N 316.445 3.216 10 10 DGCE CCOc1ccc(CN[C@@H]2COc3cccc(C)c3C2)c(O)c1 858215176 BBPNEGPQKJDFGP-HNNXBMFYSA-N 313.397 3.193 10 10 DGCE C[C@H](N[C@@H]1CCCN(C)C1)c1cc(Cl)c(Cl)cc1O 774137141 VUIONIRYMVFXOT-VHSXEESVSA-N 303.233 3.444 10 10 DGCE COc1ccc(CNC(=O)c2cccc3ccccc23)c(O)c1 794377330 RWHIYURORROTBT-UHFFFAOYSA-N 307.349 3.484 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(N)[C@@H]1c1cc(Cl)ccc1O 1959192714 AKVMEUHYEMDLMC-UOWOHEGISA-N 324.808 3.055 10 10 DGCE C[C@H](c1ccc(N(C)C)cc1)N(CC(=O)O)Cc1ccccc1 692425913 HYWQVLVXIZNMLH-OAHLLOKOSA-N 312.413 3.400 10 10 DGCE Cc1cc(CC(=O)Nc2nncs2)c(C)n1-c1ccccc1 1264294879 KCNKONGVJWHQHT-UHFFFAOYSA-N 312.398 3.127 10 10 DGCE C[C@@H](C(=O)NCc1cccc(O)c1O)c1cn(C)c2ccccc12 1455314751 JAQGQWWCHOKKJX-GFCCVEGCSA-N 324.380 3.009 10 10 DGCE CN(C)c1ccc(-c2nc(Br)c3cnccn23)cc1 217276039 PKSYHDQAVDHEOT-UHFFFAOYSA-N 317.190 3.225 10 10 DGCE CCN(CC)c1ccc(CNC(=O)c2ccc(C=O)s2)cc1 1626085069 BFCMVJSDVCZHHD-UHFFFAOYSA-N 316.426 3.337 10 10 DGCE Cc1ccc(C(=O)Nc2nc3c(s2)CCC3(C)C)c(O)c1O 1630387751 ZIKZELDBMIWEDX-UHFFFAOYSA-N 318.398 3.339 10 10 DGCE CCCC(=O)N[C@](C)(CNCc1ccc(OC)c(C)c1)C1CC1 1732238545 HTOIWKVCHOYRSV-LJQANCHMSA-N 318.461 3.178 10 10 DGCE O=C(NCc1c(O)cccc1O)c1c(Cl)cccc1Cl 1652625481 DPFXFKGUQVOBLE-UHFFFAOYSA-N 312.152 3.335 10 10 DGCE C[C@H](C(=O)N1Cc2cccc(O)c2C1)c1c(F)cccc1F 1587928065 IJOJCPNXJALNKV-JTQLQIEISA-N 303.308 3.316 10 10 DGCE CCC(CC)c1n[nH]c(=Nc2ccc(C(=O)O)cc2O)s1 1859858235 IJZBQHYBPKPQSB-UHFFFAOYSA-N 307.375 3.011 10 10 DGCE NCc1ccc(N(Cc2ccccc2)[C@H]2CCOC2)c(F)c1 1915470269 HUWWIKLQEBQAMN-INIZCTEOSA-N 300.377 3.080 10 10 DGCE CC(C)(C)OC(=O)Nc1cnoc1COc1ccc(N)cc1 1952926639 XUNCOJLQJKMBMY-UHFFFAOYSA-N 305.334 3.183 10 10 DGCE Cc1cc(O)c([C@H]2[C@H](N)CCN2C(=O)OC(C)(C)C)cc1C 1953003544 YJPDOEWRKNVHRK-HIFRSBDPSA-N 306.406 3.018 10 10 DGCE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[C@]1(N)c1ccccc1O 1976669992 GAALLQVIRLJVGG-IVWMJMPLSA-N 320.433 3.069 10 10 DGCE C[C@H](Nc1c(N)cccc1F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 1977671683 YYOURKZKWULIPW-RYUDHWBXSA-N 323.412 3.465 10 10 DGCE C[C@@H](NCc1ccccc1O)[C@]1(C)CCN1C(=O)OC(C)(C)C 1978219535 MZAAZUQPUXXEMO-ACJLOTCBSA-N 320.433 3.270 10 10 DGCE C[C@H]1CCC[C@@H](S(=O)(=O)Nc2ccc(O)cc2Cl)C1 407316954 PTIPQACJDJBCBI-GXSJLCMTSA-N 303.811 3.366 10 10 DGCE C[C@H](O)c1ccc(N2C[C@H]3[C@H](C2)C3(F)F)c(Br)c1 715526249 UITKAPCMJJUGDO-HGNGGELXSA-N 318.161 3.204 10 10 DGCE Nc1ccc(CCC(=O)N2CC[C@@H](OCc3ccccc3)C2)cc1 383934321 GMSAURVBFTWTKS-LJQANCHMSA-N 324.424 3.019 10 10 DGCE CNCc1ccc(N2CCN(Cc3ccccc3)[C@H](C)C2)c(C)c1 396355822 RYKUEGXEFZGMMA-GOSISDBHSA-N 323.484 3.425 10 10 DGCE O=C(O)c1cc(-c2ccccc2)nn1Cc1cccc(F)c1O 2069901367 MULUIAZNNIXMTM-UHFFFAOYSA-N 312.300 3.141 10 10 DGCE CN[C@@H]1CCc2cc(N3CC=C(Br)CC3)ccc21 2065061260 MGLLVGXMCRMISG-OAHLLOKOSA-N 307.235 3.382 10 10 DGCE COc1cc([C@@H](N)c2ccccc2O)ccc1Br 2072050840 KGAPDAPQVLOXRC-CQSZACIVSA-N 308.175 3.211 10 10 DGCE CN[C@@H](c1ccc(N(C)C)cc1)c1ccncc1Br 2106797157 XWUIHMPINCPYRA-HNNXBMFYSA-N 320.234 3.219 10 10 DGCE CNCc1ccc(N2C[C@@H]3CC[C@@]3(C)C2)cc1Br 2086872339 IHVFSWBIJHJRHK-WFASDCNBSA-N 309.251 3.405 10 10 DGCE Oc1cc2c(cc1CNc1cc(Cl)cnc1Cl)OCO2 2202442266 RLGDAJLUTBTTIB-UHFFFAOYSA-N 313.140 3.435 10 10 DGCE CCCN[C@](CSc1nccs1)(C(=O)OCC)C(C)C 2207859944 DXJPUNDFOJVAIR-AWEZNQCLSA-N 316.492 3.193 10 10 DGCE CCN[C@@](CSc1nccs1)(C[C@@H](C)CC)C(=O)OC 2207919172 ZUMCVDLCHNITFO-SMDDNHRTSA-N 316.492 3.193 10 10 DGCE CC[C@@H]1CN(c2ccc(OC)cc2Br)CCCN1 2221626393 ODLWGUJQEPQYIF-LLVKDONJSA-N 313.239 3.036 10 10 DGCE CSc1ncc(CNc2ncc(C(=O)O)cc2Cl)s1 2269095023 VONURDAVEHNMNY-UHFFFAOYSA-N 315.807 3.224 10 10 DGCE CSc1ncc(CNC[C@@H](O)CC2CCCCC2)s1 2269192021 AKOILHXOMCSBBC-LBPRGKRZSA-N 300.493 3.286 10 10 DGCE Cc1cncc(C=CC(=O)N2CCCc3c2cccc3[N+](=O)[O-])c1 2303769338 DETIEIACSNDQJP-UHFFFAOYSA-N 323.352 3.291 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc2sncc2c1 2311618738 JKKWNFCYAYFQMS-UHFFFAOYSA-N 312.350 3.359 10 10 DGCE Cc1ccc(CN[C@@H](C)COC(F)F)c(O)c1Br 2327618632 MGWMHSMBDVWHDQ-QMMMGPOBSA-N 324.165 3.180 10 10 DGCE CCN[C@H](c1ccc2c(c1)CCN2C)c1nc(C)c(C)s1 50287866 CGRXZGOALLDODA-MRXNPFEDSA-N 301.459 3.451 10 10 DGCE CCN(CC)c1ccc(CNC(=O)N(C)C2CCC2)cc1F 74163065 ANYAXSAFCBKSRJ-UHFFFAOYSA-N 307.413 3.366 10 10 DGCE CCC(CC)N(CC(C)C)S(=O)(=O)Cc1ccc(N)cc1 93308431 HHLDXUPWSNPPRS-UHFFFAOYSA-N 312.479 3.245 10 10 DGCE CCCNCc1ccc(N(CC)CCO)c(C(F)(F)F)c1 163682845 YVKXFLAQWRFVQZ-UHFFFAOYSA-N 304.356 3.024 10 10 DGCE C[C@H](NC1CCN(c2ccccn2)CC1)c1cc(F)ccc1O 176982470 BJQVCJKIUKJZCP-ZDUSSCGKSA-N 315.392 3.246 10 10 DGCE Cc1ccc([C@H](C)N[C@H](C)c2nnc3n2CCCC3)c(O)c1 185586032 QNYXEPHTUWMHQO-QWHCGFSZSA-N 300.406 3.040 10 10 DGCE C[C@@H](NCC(=O)Nc1ccc(F)cc1)c1ccc(F)c(F)c1O 187682374 DFGZXULLOFUOAE-SECBINFHSA-N 324.302 3.099 10 10 DGCE Cc1ccc(-n2cnnn2)cc1N[C@H](C)c1ccc(N(C)C)cc1 192992783 GWGVRHUONHJZSS-CQSZACIVSA-N 322.416 3.210 10 10 DGCE Cc1ccc(NC2=NC(=O)/C(=C\c3ccccn3)S2)c(O)c1 210382785 YTTUQSPLUITUQK-NTEUORMPSA-N 311.366 3.178 10 10 DGCE C[C@@H](CCN[C@H](C)c1ccc(O)cc1O)NC(=O)OC(C)(C)C 227670234 FFUDPZPLOCEIAN-NWDGAFQWSA-N 324.421 3.052 10 10 DGCE Cc1c(Br)cc([C@@H]2CCN2)c(O)c1Br 238492072 QCERCKQKNCNKIW-QMMMGPOBSA-N 321.012 3.260 10 10 DGCE Cc1cnc(CNC(=S)Nc2ccc(O)cc2C)c(C)c1 243429101 MYDRTRAEECVRJQ-UHFFFAOYSA-N 301.415 3.199 10 10 DGCE CC/C=C\COC(=O)/C=C/c1ccc(N2CCOCC2)cc1 255438659 DJFOWUOZZDSWGL-HQGAUJLMSA-N 301.386 3.046 10 10 DGCE CC[C@H](N[C@@H](CC)[C@H](O)C(F)F)c1cccc(Cl)c1O 296607215 WAPDYUVPKLFGRG-GVXVVHGQSA-N 307.768 3.491 10 10 DGCE C[C@H]1CSCCN(c2ccc(CN)c(Br)c2)C1 379512677 RCHVLCBIVBQMPE-SNVBAGLBSA-N 315.280 3.097 10 10 DGCE CN(C)c1ccc([C@@H](CN)N(Cc2ccccc2)C2CC2)cc1 383775059 KAMWZPUUTDTNLO-HXUWFJFHSA-N 309.457 3.417 10 10 DGCE COc1ccc(N(C)C(=O)/C=C\c2cncc(O)c2)cc1Cl 588409544 SRSXUBLUFBMIQL-UTCJRWHESA-N 318.760 3.125 10 10 DGCE COc1cccc(-c2noc(/C=C\c3ccc(O)c(O)c3)n2)c1 588458090 IYBHBKDQYSDUEP-VURMDHGXSA-N 310.309 3.327 10 10 DGCE NCc1cc(F)c(N2CCC[C@H]2C2CC2)cc1Br 706666792 ZBWVRSNJUHIVMA-ZDUSSCGKSA-N 313.214 3.426 10 10 DGCE C[C@@H](NCc1c(O)cccc1Br)[C@H]1CCCCO1 706821754 OKMRWYNJGYBZFL-QMTHXVAHSA-N 314.223 3.202 10 10 DGCE Cc1ccc(O)c([C@H](C)NCC2CN(Cc3ccccc3)C2)c1 716279394 KUJVXUQAMLOVNU-INIZCTEOSA-N 310.441 3.483 10 10 DGCE COc1nscc1CN(C)c1ccc([C@H](C)O)cc1Cl 723222481 YTMBWJQKOZOMNA-VIFPVBQESA-N 312.822 3.495 10 10 DGCE COc1ccc(N2CCCN(C(=O)/C=C/C(C)(C)C)CC2)cc1 731876646 HOTSGOPOKGRHBI-ZHACJKMWSA-N 316.445 3.336 10 10 DGCE CN(Cc1ccc(N2CCOCC2)cc1)C1Cc2ccccc2C1 733610046 HBWKZJYRGVEQNZ-UHFFFAOYSA-N 322.452 3.122 10 10 DGCE CN1CCN(c2ccc(CN3C[C@H]4CCCC[C@H]4C3)cc2)CC1 775698740 RZHCMPBSEYFECL-KDURUIRLSA-N 313.489 3.060 10 10 DGCE O=C(/C=C/c1cncc(O)c1)N1CC2(CCC2)c2ccccc21 791023452 LMHMZWBBNYTVTD-VOTSOKGWSA-N 306.365 3.269 10 10 DGCE CCN(CC)c1ccc(CNC(=O)CCC(F)F)cc1F 793468371 LNPWIOWBNBGJSL-UHFFFAOYSA-N 302.340 3.333 10 10 DGCE C[C@@H](N[C@@H]1COc2ccc(F)cc2C1)c1ccc(F)cc1O 808729139 HPZXXGLOIMUARK-YGRLFVJLSA-N 305.324 3.325 10 10 DGCE C[C@@H](c1nc(C(C)(C)C)no1)N1CCCc2cc(CN)ccc21 843350478 RVLVGOYNKJYZRR-LBPRGKRZSA-N 314.433 3.340 10 10 DGCE CC[C@@H](C(=O)OC(C)(C)C)N(C)Cc1cc(OC)c(C)cc1O 844759039 OZCNTXOBGSUWLL-AWEZNQCLSA-N 323.433 3.261 10 10 DGCE C[C@@H]1CC[C@H](N[C@H](C)c2ccc(N3CCOCC3)cc2)CS1 848526613 CFNCJTIJEVIVFB-INMHGKMJSA-N 320.502 3.458 10 10 DGCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2C[C@H](C)[C@H]2C)c1 861837161 QSYKWUAQODXPLW-GXTWGEPZSA-N 310.397 3.387 10 10 DGCE CC[C@H](NC[C@@H]1CC2(CCOCC2)CO1)c1ccc(F)cc1O 866530998 DAGZRMPQADCXHA-HOCLYGCPSA-N 323.408 3.158 10 10 DGCE O=C(NCc1cc(Br)ccc1O)[C@@]12CCCC[C@@H]1C2 868307000 LDBJUHVCTHENKU-IAQYHMDHSA-N 324.218 3.351 10 10 DGCE C[C@H](NC(=O)N[C@H]1C[C@]1(F)c1ccccc1)c1ccccc1O 868725798 PHNSGVLNJHYQML-IWEFOYFVSA-N 314.360 3.390 10 10 DGCE C[C@@H](NC(=O)N[C@H](C1CC1)[C@@H]1CCCCO1)c1ccccc1O 868750274 ITHYMCUNPZZAPO-OAUYIBNBSA-N 318.417 3.100 10 10 DGCE O=C(NCC[C@@H]1CCCS1)NCc1cc(Cl)ccc1O 868973846 LFMSKXYQRDIEBN-LBPRGKRZSA-N 314.838 3.131 10 10 DGCE Cc1ccc([C@H](C)NC[C@]2(c3ccccc3)C[C@H](O)C2)c(O)c1 903271305 MGXHKJXFNXWGDB-KNBMTAEXSA-N 311.425 3.444 10 10 DGCE C[C@@H](NC(=O)c1cn(C)nc1C1CCCC1)c1ccccc1O 913763918 VSJIRBVYZHFJIS-GFCCVEGCSA-N 313.401 3.274 10 10 DGCE Cc1cc(C)c([C@@H](C)NC[C@H]2CCC3(CCOCC3)O2)c(O)c1 927012068 FLZHCKHKXYEKCA-HZPDHXFCSA-N 319.445 3.388 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N2CC[C@H]2Cc2ccccc2)cc1 1137240287 XHWODARJKPPSGY-INIZCTEOSA-N 322.368 3.306 10 10 DGCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)Nc2cnoc2)c1 1143391503 GZVZDCZDUWWCQN-UHFFFAOYSA-N 309.325 3.147 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)Nc2cccc3cnncc23)cc1 1154271029 IAVMEAVOJXGUAT-UHFFFAOYSA-N 320.312 3.045 10 10 DGCE Cc1ccc(O)c(CNC(=O)CCSc2ccccc2)c1 1301041707 PIOCPGVCLXHULY-UHFFFAOYSA-N 301.411 3.499 10 10 DGCE COc1ccc(CNC[C@H](C)NC(=O)C(C)(C)C(C)C)cc1C 1321859163 CDGMINDJKLIMNC-HNNXBMFYSA-N 320.477 3.280 10 10 DGCE CN(C)c1ccc(CNC(=O)[C@@H]2CC[C@@H]3[C@@H](C2)C3(F)F)cc1 1351256068 MIFZQXFMNYZRAE-BPLDGKMQSA-N 308.372 3.050 10 10 DGCE c1ccc(N2CC[C@H](NCc3ccc(N4CCCC4)cc3)C2)nc1 1461358250 AWWYVDFTJWPFAR-SFHVURJKSA-N 322.456 3.050 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2C(=O)/C=C\C1CCCC1 1523541528 FZUNAUIJEPFYGR-YFHOEESVSA-N 300.402 3.224 10 10 DGCE O=C(NCc1c(O)cccc1O)c1cc(C2CC2)oc1C1CC1 1597579177 IUAQTHSTOKBUTQ-UHFFFAOYSA-N 313.353 3.376 10 10 DGCE COc1cnc2ccccc2c1C(=O)N[C@@H](C)c1ccccc1O 1632254798 HJZIPZSTGGQTDD-LBPRGKRZSA-N 322.364 3.440 10 10 DGCE COC(=O)c1cccc(N=c2[nH]c3cc(C)cc(C)c3o2)c1O 1859858760 JBSLPNCWIDKZCD-UHFFFAOYSA-N 312.325 3.102 10 10 DGCE CC[C@H](C)[C@H](N)C(=O)Nc1ccc(Cc2ccc(N)cc2)cc1 1865949913 CTCPTCIIOHJGSH-UGSOOPFHSA-N 311.429 3.172 10 10 DGCE COC[C@@H]1CC[C@@H](NCc2c(O)cccc2Br)C1 1918623421 CSTPDZLEACHESD-GHMZBOCLSA-N 314.223 3.059 10 10 DGCE C[C@@H]1CSCCCN1c1ccc(CN)c(Br)c1 1940235649 HHUJEKIZEHHGSA-SNVBAGLBSA-N 315.280 3.240 10 10 DGCE C[C@@H](N)c1ccc(N2CC3(CSC3)C2)cc1Br 1942548227 IMPARGWCFLXWJH-SECBINFHSA-N 313.264 3.022 10 10 DGCE CC(C)(C)OC(=O)NC[C@H]1CCCCN(CCCN=[N+]=[N-])C1 1962305662 UICOZFJKDXXGKH-CYBMUJFWSA-N 311.430 3.314 10 10 DGCE C[C@H]1CN(C(=O)OC(C)(C)C)CCCN1Cc1ccc(N)cc1 1977928980 XQMMAJQJSUTBPS-AWEZNQCLSA-N 319.449 3.100 10 10 DGCE CN(C)c1ccc([C@@H](O)C2CC(NC(=O)OC(C)(C)C)C2)cc1 1977958541 NCKYQYIULDUPRI-ZBCRRDGASA-N 320.433 3.089 10 10 DGCE C[C@H](CN(C(=O)OC(C)(C)C)C1CC1)[C@@H](N)c1ccccc1O 1987611764 CUWVMDZTNKBPES-MLGOLLRUSA-N 320.433 3.428 10 10 DGCE Oc1ccc(Br)cc1CN1C[C@@H](F)C[C@H](F)C1 2011415608 SVBRAFSTQKGDRN-QWRGUYRKSA-N 306.150 3.037 10 10 DGCE CCN[C@@H](c1ccccc1O)c1ncccc1Br 2029558244 IUJGLGDJNADSGI-ZDUSSCGKSA-N 307.191 3.249 10 10 DGCE C[C@]12CC[C@H]1CCN2c1ccc(CN)c(Br)c1F 2039542526 CMJWUYXYOFRLKH-HZMBPMFUSA-N 313.214 3.426 10 10 DGCE C[C@H](O)c1ccc(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@H]32)cc1Br 2053728611 AIXKTMRTEGKNPP-GLBWXDBNSA-N 308.219 3.347 10 10 DGCE Cc1cc(Br)cnc1OCCc1ccc(N)cc1 2056263986 JWOVQGIARCTKKB-UHFFFAOYSA-N 307.191 3.356 10 10 DGCE CN[C@H](C)c1ccc(N2CCP(C)(=O)CC2)c(Cl)c1 2115348172 AHAKFISGLABQKV-LLVKDONJSA-N 300.770 3.433 10 10 DGCE CS[C@H]1CC[C@@H]1N(C)c1ccc(CO)cc1Br 2307888766 YBWOFVQZBOCRMI-STQMWFEESA-N 316.264 3.272 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc(-c2cnco2)cc1 2307986559 IIKZXHFPLIAXTI-UHFFFAOYSA-N 322.320 3.405 10 10 DGCE Cc1ccc([C@@H](C)CNC(=O)C=Cc2ccc(O)c(O)c2)cc1 2308001483 MUKGVNBFQXGAJI-AWEZNQCLSA-N 311.381 3.339 10 10 DGCE C[C@H](O)CCCN(C)c1ccc([C@H](C)N)cc1Br 2314467753 PSIJRXWFLYBDFH-QWRGUYRKSA-N 315.255 3.066 10 10 DGCE CCCN1N=C(C(F)(F)F)C(=Cc2ccc(F)cc2)C1=O 2332140306 UPVDFCRANXPPRO-UHFFFAOYSA-N 300.255 3.380 10 10 DGCE CC(=O)c1cc(Cl)cc(CN(C)Cc2ccncc2)c1O 50134450 MLTCEUZENAGKRR-UHFFFAOYSA-N 304.777 3.275 10 10 DGCE CCC[C@@H]1CN(c2cc(Cl)c(OC)cc2OC)[C@H](C)CN1 86220354 HIYUSCRKQSWWSM-VXGBXAGGSA-N 312.841 3.324 10 10 DGCE C[C@H](N[C@@H]1CC=CCC1)c1ccc(N2CCC(O)CC2)cc1 90035718 AXAAENQOGYYIID-DOTOQJQBSA-N 300.446 3.407 10 10 DGCE CCCOc1ccc(CN2CC[C@H]3OCCC[C@@H]3C2)c(O)c1 93506765 FGWCLHMTEHWYBV-CRAIPNDOSA-N 305.418 3.182 10 10 DGCE Cc1ccc(Cl)cc1NC(=O)[C@@]12CC[C@@H](C(=O)C1=O)C2(C)C 101103812 MIYCJNFMXNPRKG-APPDUMDISA-N 319.788 3.161 10 10 DGCE C[C@H]1SCCS[C@H]1c1noc(-c2cccc(O)c2O)n1 126887575 SCMXQMJVAVYKDF-RDDDGLTNSA-N 310.400 3.057 10 10 DGCE CCN(CC(=O)NC(C)C)Cc1cc(Cl)cc(Cl)c1O 133189441 LMHNJCMYSVLULU-UHFFFAOYSA-N 319.232 3.046 10 10 DGCE Cc1cc(OCCCC(F)(F)F)ccc1N1CCNCC1 161691439 UBRPESSSKZFCGH-UHFFFAOYSA-N 302.340 3.126 10 10 DGCE CCCN(Cc1ccc(N)cc1)C(=O)c1cc(OC)cs1 161890315 SKDAEEFNGKHIFJ-UHFFFAOYSA-N 304.415 3.391 10 10 DGCE CC(C)CNCc1ccc(N2CCN(C)[C@H](C)C2)c(Cl)c1 164074601 MWHCSLWIBZXYKM-CQSZACIVSA-N 309.885 3.226 10 10 DGCE CCOC(=O)[C@@](N)(CCSc1nccs1)c1ccccc1 168225737 UTRLVYRBAZXEJO-OAHLLOKOSA-N 322.455 3.043 10 10 DGCE CN(C)c1cccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)c1 243386038 MJKSVEZITCYTGH-UHFFFAOYSA-N 316.386 3.470 10 10 DGCE Cc1nc2ccc(C(=O)N(C)Cc3ccc(N(C)C)cc3)cc2o1 280950317 XIDDGVZQIFQQNN-UHFFFAOYSA-N 323.396 3.474 10 10 DGCE Nc1ccc(CCC(=O)Nc2cnn(Cc3ccccc3)c2)cc1 301182140 IVHCCSXONTUMSV-UHFFFAOYSA-N 320.396 3.085 10 10 DGCE CCN[C@@H]1C(=O)Nc2cc(N(CC)Cc3ccccc3)ccc21 302869404 TXCFWFJZIZSAJB-SFHVURJKSA-N 309.413 3.316 10 10 DGCE O=C(c1cccc(O)c1O)N1CC[C@@H](c2ccc(Cl)cc2)C1 366172336 QUZJMGIUBQJMMV-GFCCVEGCSA-N 317.772 3.381 10 10 DGCE CO[C@@H](C)CN(C)[C@H](C)c1cc(Br)ccc1O 379926937 SQHINJSCULZWPX-VHSXEESVSA-N 302.212 3.182 10 10 DGCE Cc1cccnc1CCNCc1cccc(Br)c1O 404626191 RMWKZBYCLCBVGG-UHFFFAOYSA-N 321.218 3.190 10 10 DGCE COc1cccc(N(CC(C)C)C(=O)/C=C\c2cnccn2)c1 491120018 QAPLSQSVMIDJAD-FPLPWBNLSA-N 311.385 3.188 10 10 DGCE O=C(c1c[nH]nc1-c1cccnc1)N1CC2(CC2)c2ccccc21 548148804 CFUVNJOVAMBQLL-UHFFFAOYSA-N 316.364 3.164 10 10 DGCE COc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c(Cl)c1 588404714 LSUPRHIEMYQCKI-CLTKARDFSA-N 319.744 3.412 10 10 DGCE OCc1ccc(N(CC(F)F)CC2CC2)c(Br)c1 688146062 XAMHGIMIITYRNI-UHFFFAOYSA-N 320.177 3.423 10 10 DGCE CCCNCc1ccc(N2CC[C@H](F)C2)c(Br)c1 689832122 WJIBZLDAMJALNL-LBPRGKRZSA-N 315.230 3.497 10 10 DGCE CC(C)N(C[C@@H](C)O)c1ccc([C@@H](C)O)cc1Br 691521695 SOPVKPLECGVVOA-GHMZBOCLSA-N 316.239 3.098 10 10 DGCE CN(CC1C[C@H]2C[C@@H]2C1)c1ccc(CN)c(Br)c1 697846679 WRCBCGLWKGKMJA-STQMWFEESA-N 309.251 3.390 10 10 DGCE Oc1c(Br)cc(Cl)cc1CNCc1ccno1 708193234 STZYEBLCBKRMRM-UHFFFAOYSA-N 317.570 3.086 10 10 DGCE CN(C[C@H]1CCSC1)c1ccc(CO)cc1C(F)(F)F 718391921 CGZYAIIWMJZPHO-LLVKDONJSA-N 305.365 3.387 10 10 DGCE C[C@H](CC(=O)NCc1ccc(N(C)C)c(F)c1)c1cccnc1 734428821 BZFHIMXRGISIEB-CYBMUJFWSA-N 315.392 3.097 10 10 DGCE Cc1cc(Br)c(O)c(CN(C)Cc2ccccn2)c1 757891119 VTBRJBZPSZOYJT-UHFFFAOYSA-N 321.218 3.490 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCOC[C@H]2C)cc1 766372918 HBKKRISNXXUWAP-QAPCUYQASA-N 318.461 3.164 10 10 DGCE COc1cc(O)c(CN(C)Cc2ccc(F)cc2C)cc1OC 792708017 RJLVMYNCWIDTEU-UHFFFAOYSA-N 319.376 3.489 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CC[C@@H](O)CC23CCC3)c1O 817289799 DIHAGEOMMOEOJM-CQSZACIVSA-N 323.820 3.128 10 10 DGCE O[C@H](CNCc1ccc(N2CCCC2)cc1)CC1CCCC1 818953309 FZTPCHOMPLGMQV-IBGZPJMESA-N 302.462 3.318 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(C2CCC2)cn1 819036557 IJFLFQBLEOMBBQ-WEVVVXLNSA-N 310.353 3.412 10 10 DGCE CCc1cccc(CN[C@@H]2CCC[C@@H]2Cc2cnn(C)c2)c1O 827319230 AZSXDYXHQLVDQF-SJLPKXTDSA-N 313.445 3.189 10 10 DGCE CCN(CC)C(=O)CCCNC/C=C\c1ccc(N(C)C)cc1 835035222 IGRHSMMEYAWKDR-CLFYSBASSA-N 317.477 3.004 10 10 DGCE C[C@H](O)C[C@@H]1CCCCN1C/C=C\c1ccc(N(C)C)cc1 835051812 JYSGVXIFFVVARW-FQEKARNZSA-N 302.462 3.391 10 10 DGCE CCOc1ncccc1CNCc1c(O)cc(C)cc1Cl 840876306 VOSFSOHRSBAQHW-UHFFFAOYSA-N 306.793 3.438 10 10 DGCE CC[C@@H](OCCNC(=O)c1cc(O)cs1)c1ccccc1 846657780 GGDZLEPWTSEXML-CQSZACIVSA-N 305.399 3.351 10 10 DGCE COc1ccc(N2CC[C@H](CN[C@@H]3CC[C@H](C)SC3)C2)cc1 848553339 LYAMLADAAYXWQV-ARFHVFGLSA-N 320.502 3.395 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)C3CCCC3)C2)cc1 855231079 JGDVSXUBNACWAP-HOCLYGCPSA-N 316.445 3.216 10 10 DGCE Cc1ccc(O)c(CNC(=O)NCC(F)(F)C(C)(C)C)c1 858623318 RKEFHLHONMAONT-UHFFFAOYSA-N 300.349 3.181 10 10 DGCE COc1c([N+](=O)[O-])ccc(CN2CCCC3(CC2)CC3)c1O 862538981 HWKNVLWOMOWNBO-UHFFFAOYSA-N 306.362 3.075 10 10 DGCE Cn1cnc(/C=C\C(=O)N2CCc3cccc(C(F)(F)F)c32)c1 1128777291 IHPLWJFAQNFZLY-WAYWQWQTSA-N 321.302 3.041 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CCOC[C@H]2CC2CC2)c1O 1198041432 DXSRCVPKXBUMQF-OAHLLOKOSA-N 323.820 3.249 10 10 DGCE O=C(NCc1cc(O)ccc1O)c1cc2cc(Cl)ccc2[nH]1 1303223496 RTGVXTDVMQWDSO-UHFFFAOYSA-N 316.744 3.163 10 10 DGCE CC(C)[C@@H]1CCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 1323332313 YEJGNLAYCHLJSB-QGZVFWFLSA-N 319.468 3.055 10 10 DGCE CCN(C(=O)/C(C)=C/c1cccnc1)c1ccccc1C(=O)OC 1456255452 WHFJDZNXVYJCEU-WYMLVPIESA-N 324.380 3.325 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/C=C(Cl)Cl 1466791158 PREBOVRNNWKJCB-LXOKAJLYSA-N 316.184 3.020 10 10 DGCE C[C@H](NC(=O)c1ccc(-n2cccc2)nc1)c1ccccc1O 1557967756 KINNFGVMWTUDDJ-ZDUSSCGKSA-N 307.353 3.069 10 10 DGCE O=C(Nc1c(F)cccc1N1CCCC1)c1cccc(O)c1O 1584891879 AFTVJNQGDXSABP-UHFFFAOYSA-N 316.332 3.089 10 10 DGCE C[C@H](NC(=O)c1ncc2ccccc2c1O)c1ccccc1O 1587451137 IXOWPQMACWIBBI-NSHDSACASA-N 308.337 3.137 10 10 DGCE O=C(NCc1ccc(O)c(O)c1)c1ccc(SC2CC2)cc1 1622664411 SPZXWZJURDHABB-UHFFFAOYSA-N 315.394 3.282 10 10 DGCE COC[C@H](CC(C)(C)C)NC(=O)c1ccc(N=NC(N)=O)cc1 1627751863 MUSXTIPSUNRYTF-ZDUSSCGKSA-N 320.393 3.030 10 10 DGCE O=C(NCc1c(O)cccc1O)c1ccc(F)c2ccccc12 1635846930 DNAANAWFIMSFQS-UHFFFAOYSA-N 311.312 3.320 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)Nc2ccnn2C2CCC2)cc1 1640137845 VOQLYRACVVWWKQ-UHFFFAOYSA-N 312.333 3.023 10 10 DGCE O=C(NCc1c(O)cccc1O)[C@H]1CC[C@H]1c1ccc(F)cc1 1652629085 WDYJZYSEAOZXBM-KBPBESRZSA-N 315.344 3.047 10 10 DGCE C[C@@H]1CC[C@H]([C@@H](N)c2ccccc2O)N1C(=O)OC(C)(C)C 1893890261 GLMWMAOZEQEXCM-KYOSRNDESA-N 306.406 3.180 10 10 DGCE C[C@@H](O)CN(Cc1ccccc1)c1ccc(CN)c(Cl)c1 1914663622 KCDFJZPBSCCUJJ-CYBMUJFWSA-N 304.821 3.186 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2([C@@H](N)c2ccccc2O)C1 1938392332 FVXDIAZFRPAOII-QITLCBANSA-N 318.417 3.039 10 10 DGCE C[C@@H](O)c1ccc(N2CC3(CSC3)C2)c(Br)c1 1942546219 HOEBLXHOGBFLEA-SECBINFHSA-N 314.248 3.056 10 10 DGCE COc1ccc(Br)c(CN[C@H](C)C2CC2)c1O 1964048310 LNOXEYYUIWBMRJ-MRVPVSSYSA-N 300.196 3.051 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCOC[C@H]1C(F)F 1971849791 KFTIWAWVOBRQEF-JTQLQIEISA-N 312.143 3.165 10 10 DGCE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)c1ccc(N2CCCC2)cc1 1977932922 AHTODDJMWYHBEG-CZUORRHYSA-N 320.433 3.233 10 10 DGCE CCN1CCc2cc([C@@H](O)[C@H](C)NC(=O)OC(C)(C)C)ccc21 1977939288 PAIBNFGJGXARDE-LRDDRELGSA-N 320.433 3.016 10 10 DGCE CN(C)c1ccc([C@@H](N)C2(C)CN(C(=O)OC(C)(C)C)C2)cc1 1977946844 YGEGZZAFPTUEEC-OAHLLOKOSA-N 319.449 3.009 10 10 DGCE CC(C)(C)OC(=O)N(CC1CC1)C1CCN(CCN=[N+]=[N-])CC1 1982240461 CIGDQEALUDLORK-UHFFFAOYSA-N 323.441 3.408 10 10 DGCE Oc1ccc([C@@H]2Nc3cc(Br)ccc3O2)cc1O 2027867861 SKTOKTRVTITHBH-CYBMUJFWSA-N 308.131 3.363 10 10 DGCE C[C@@H]1COCC[C@@H]1N(C)Cc1cc(Br)ccc1O 2031921166 SDCHKPJUFUTQGI-MFKMUULPSA-N 314.223 3.012 10 10 DGCE O=Cc1c(Cl)nc(C2=S=Nc3ccccc32)nc1Cl 2103701330 IDFCUDZAMIBGMJ-UHFFFAOYSA-N 310.165 3.076 10 10 DGCE CNCc1ccc(N(C)[C@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]4C3)cc1Br 2134314009 MFEXSVRDYYIVKC-APDPGRRMSA-N 321.262 3.259 10 10 DGCE CNCc1cc(F)c(N(C)C[C@H]2SCC[C@@H]2C)c(F)c1 2150867991 MPBMDYNVBGSWIF-IINYFYTJSA-N 300.418 3.262 10 10 DGCE CC[C@@H](CCNCc1cc(Cl)cc(OC)c1O)COC 2152348215 PBQUTSSOBNPICC-NSHDSACASA-N 301.814 3.207 10 10 DGCE CCNCc1ccc(N2CC[C@@](F)(COC)C2)cc1Cl 2179806701 QFLKHXKYLXAHGW-HNNXBMFYSA-N 300.805 3.014 10 10 DGCE COc1ccc(Br)c(CN[C@@]23CCC[C@@H]2C3)c1O 2220462920 STHTVPGEQZFXGE-YMTOWFKASA-N 312.207 3.196 10 10 DGCE COc1ccc(Br)c(CNC[C@@H]2CC[C@H]2C)c1O 2220607830 OTOUMVZDNXHMBB-ZJUUUORDSA-N 314.223 3.299 10 10 DGCE C[C@@H](NCc1ccc(N)cc1)[C@@H]1CCCN1C(=O)OC(C)(C)C 2244481462 HRHRPRUVNPWWCL-CJNGLKHVSA-N 319.449 3.146 10 10 DGCE CCC(F)(F)CCSCC(=O)N(C)c1ccc(N)cc1 2283718053 JXASLAJOQHPADI-UHFFFAOYSA-N 302.390 3.400 10 10 DGCE CSc1ncc(CN2CCNC[C@H]2c2ccccc2)s1 2284678806 YPMLMOGBNGBRPI-AWEZNQCLSA-N 305.472 3.012 10 10 DGCE CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1c(C)n[nH]c1C 2313548380 USYCJIVLXIBSNX-UHFFFAOYSA-N 309.373 3.053 10 10 DGCE COc1cc(COc2ccc(N)cc2)c(Br)cn1 2315403167 DTTJSJKCWBTCDY-UHFFFAOYSA-N 309.163 3.014 10 10 DGCE CCOC(=O)CCN(C)N=Nc1ccc(OCC)c(OCC)c1 2330237239 BIAPRWGAEKTNGM-UHFFFAOYSA-N 323.393 3.368 10 10 DGCE C[C@@H]1C[C@H](NCc2cc(OC(F)(F)F)ccc2O)CS1 2361025450 ANHUPWFZQGJBKH-SCZZXKLOSA-N 307.337 3.274 10 10 DGCE CCCCN1C(=O)/C(=C2\C(=O)Nc3ccccc32)SC1=S 2834788 CQVCDBKSHLZAIJ-VAWYXSNFSA-N 318.423 3.010 10 10 DGCE CN1C(=O)/C(=C/c2ccc(N(C)C)cc2Cl)SC1=S 3159182 NRQVYBQURKOHIB-WDZFZDKYSA-N 312.847 3.237 10 10 DGCE Cc1cc(N2CCOCC2)ccc1/C=C1\SC(=S)N=C1O 33311522 SQCVAJVIILYOAM-LCYFTJDESA-N 320.439 3.161 10 10 DGCE CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1c(C)nn(C)c1C 59858492 OPVXVZHSHGHJMB-YBEGLDIGSA-N 323.400 3.064 10 10 DGCE COc1ccc2c(c1)N[C@@](C)(C(C)C)CN2CC1CCNCC1 75280953 PMJBUPRFPUXRSS-LJQANCHMSA-N 317.477 3.341 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)/C=C/c2ccc(C)o2)c1 157849032 SSQUTYPSFMOISP-YPUOHESYSA-N 301.342 3.193 10 10 DGCE Cc1nc(C[C@H]2CCCN(Cc3cccc(Cl)c3O)C2)no1 180000069 IODOEWZGAGGKAW-GFCCVEGCSA-N 321.808 3.192 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@@H](C)Cc2c(C)nn(C)c2C)c1 185559245 UZWOVWSSAXFIEX-RYUDHWBXSA-N 317.433 3.033 10 10 DGCE Cc1nc2n(n1)CCC[C@H]2N[C@H](C)c1cc(Cl)ccc1O 186096315 BTJOHTFTLXWKGC-NOZJJQNGSA-N 306.797 3.131 10 10 DGCE Cc1ccc([C@@H](C)NC[C@@H](CC(C)C)N2CCOCC2)c(O)c1 192935995 BSBDPWUFWQMQHO-IAGOWNOFSA-N 320.477 3.098 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CCO[C@@H]3CCC[C@H]32)c1O 227156239 KPVKPOHRXDEQQL-HUUCEWRRSA-N 309.793 3.002 10 10 DGCE Cc1nc(F)ccc1/C=C1\SC(=S)N(C2CCC2)C1=O 292421162 ZYSLNKGNPWOZCM-XFFZJAGNSA-N 308.403 3.283 10 10 DGCE C[C@H](N[C@@H]1C[C@H]1NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 300211552 QYODGZFKAQALKY-APHBMKBZSA-N 319.449 3.069 10 10 DGCE C[C@H](NCCCN(C)Cc1ccccc1)c1ccc(O)cc1O 302832673 MPUGQSZXYZNZTF-HNNXBMFYSA-N 314.429 3.271 10 10 DGCE NC[C@H]1CCCCN(Cc2cc(Cl)cc(Cl)c2O)C1 311939118 HMOMPIBISHEPLJ-SNVBAGLBSA-N 303.233 3.260 10 10 DGCE C[C@H](N)c1ccc(N2CCC(F)(F)C2)cc1Br 313358185 OPUFZEMMDIWICM-QMMMGPOBSA-N 305.166 3.314 10 10 DGCE COc1ccc(N2CCC(NC[C@H]3CCC(C)(C)O3)CC2)cc1 364487568 REZPWYLWJUJJRA-GOSISDBHSA-N 318.461 3.211 10 10 DGCE NCc1ccc(N2CC[C@H](COCc3ccccc3)C2)c(F)c1 383900827 ISIINQLGPGGYHQ-KRWDZBQOSA-N 314.404 3.328 10 10 DGCE Cc1cc(Br)cc(CN(C)[C@@H]2CO[C@H](C)C2)c1O 401362729 CWLFZABXJRPGBV-MFKMUULPSA-N 314.223 3.072 10 10 DGCE O=C(O)c1cccc(NCc2ccc(Br)cc2O)c1 691440983 UOYZVSDAYPNSKR-UHFFFAOYSA-N 322.158 3.465 10 10 DGCE [N-]=[N+]=NCCCN[C@@H](C(=O)O)c1ccsc1C(F)(F)F 704326315 JJRJUXSQGIQMMP-SSDOTTSWSA-N 308.285 3.183 10 10 DGCE CC[C@H](C(N)=O)N1CCCc2cc(OCc3ccccc3)ccc21 734486267 IXHPQCPJRHDGPI-GOSISDBHSA-N 324.424 3.282 10 10 DGCE CCOc1ccc(O)c(CN(CCCN)c2ccccc2F)c1 753588996 HLHAXDFOBSWJAL-UHFFFAOYSA-N 318.392 3.285 10 10 DGCE COc1ccc(O)c([C@H](C)Nc2nc(C)cc(C)c2[N+](=O)[O-])c1 781662821 XECLBNDSQTYRGU-NSHDSACASA-N 317.345 3.494 10 10 DGCE C[C@@H]1O[C@H](C)CN(Cc2cccc(Br)c2O)[C@@H]1C 783736967 GRKQOQAPOQIDMC-MXWKQRLJSA-N 314.223 3.152 10 10 DGCE Cn1nccc1[C@@H]1CCCCN1Cc1c(O)ccc2ccncc12 799149777 SEKSDMYIXIXKKN-SFHVURJKSA-N 322.412 3.401 10 10 DGCE Cc1cc([N+](=O)[O-])ccc1NNC(=S)Nc1ccc(F)cc1 806589133 CFNLIFDBAYSZGV-UHFFFAOYSA-N 320.349 3.356 10 10 DGCE COC1([C@H](C)NCc2cc(Cl)cc(C)c2O)CCOCC1 817419359 GEWLRFNVTASYQE-LBPRGKRZSA-N 313.825 3.028 10 10 DGCE O=C(c1cccc(O)c1O)N1CC[C@@H](c2cccc(Cl)c2)C1 817597947 LEMWZVSHNZRDJL-GFCCVEGCSA-N 317.772 3.381 10 10 DGCE COCc1ccc(CSc2ncc(C(=O)OC)s2)cc1 829677490 AAIYSIQJUCIBFY-UHFFFAOYSA-N 309.412 3.368 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCC(C2(O)CC2)CC1 846008757 PKGPMCOMXGSEFU-UHFFFAOYSA-N 316.228 3.436 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)C(C)(C)C)C2)cc1 855232903 ZKXIFJNRDQSQSX-KGLIPLIRSA-N 304.434 3.072 10 10 DGCE COc1ccc(N2CC[C@H](NCc3ccncc3Cl)C2)cc1 858187416 UMARLNCWMPHFRS-AWEZNQCLSA-N 317.820 3.112 10 10 DGCE COCc1ccc(NCc2cc(OC)ccc2O)cc1OC 862537128 SVDMEIISPFRTKZ-UHFFFAOYSA-N 303.358 3.168 10 10 DGCE C[C@H](NC(=O)NC[C@@H]1CCOC2(CCC2)C1)c1ccccc1O 868668711 PLPXNCNXFSVYHK-UONOGXRCSA-N 318.417 3.102 10 10 DGCE C[C@@H](NC(=O)N[C@@H](C1CCC1)[C@@H]1CCCO1)c1ccccc1O 868988698 AZIIZEGSKZSRHV-DQYPLSBCSA-N 318.417 3.100 10 10 DGCE CC1(C)CNCC[C@H](NCc2c(O)ccc(Cl)c2F)C1 872254330 ZTANIPKQEHHHTN-JTQLQIEISA-N 300.805 3.053 10 10 DGCE CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCCC2(CCC2)O1 927156085 MVROWOUYWQLFIS-HNNXBMFYSA-N 318.417 3.025 10 10 DGCE CCO[C@@H](C)c1ncc(C(=O)NCc2c(O)cccc2F)s1 928704568 CFWJKZSWKPTBQS-VIFPVBQESA-N 324.377 3.015 10 10 DGCE Cc1c(NC(=O)N2Cc3cccc(O)c3C2)cccc1N(C)C 930722881 HXKVHZCCQSPNJV-UHFFFAOYSA-N 311.385 3.314 10 10 DGCE C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@@H]1CCC[C@@H](C)C1 1142302194 SAVWIXSXXFKIHG-BAWJPVEYSA-N 303.402 3.442 10 10 DGCE C[C@@H](N=c1nc[nH]c2[nH]c(Cl)cc12)c1ccc(N(C)C)cc1 1163099185 DDCRVELAIITKEH-SNVBAGLBSA-N 315.808 3.272 10 10 DGCE CCN(C)c1ccc(CN2CC[C@@](OC)(C(F)(F)F)C2)cc1 1197326220 OUPBURBLXFIDNK-HNNXBMFYSA-N 316.367 3.296 10 10 DGCE COc1ccc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)o1 1356265996 GKTMUHIRLWWVKY-UHFFFAOYSA-N 314.385 3.161 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](CO)CC(C)C)cc1 1452958219 ZACLJHJHZIKRQZ-KRWDZBQOSA-N 314.429 3.231 10 10 DGCE O=C(CSc1ccc(Cl)cc1)NCc1cc(O)ccc1O 1558174558 OAQLJVUIYZXMCQ-UHFFFAOYSA-N 323.801 3.160 10 10 DGCE COc1c(C)cc(Cl)cc1NC(=O)c1cccc(O)c1O 1629721897 YQHXZJJIMMMYPI-UHFFFAOYSA-N 307.733 3.321 10 10 DGCE CC(=O)N(C)c1ccc(CNCc2ccc(Cl)cc2O)cc1 1652838656 KTOFKNQKFQEWBN-UHFFFAOYSA-N 318.804 3.318 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)OCC[C@H]2C)c1O 1655120591 RAJSIHAWVPDDCU-GHMZBOCLSA-N 311.809 3.248 10 10 DGCE COc1ccc2c(c1)CCCCN2CCn1cc(Cl)cn1 1657841534 DAUUVJCVPBILFY-UHFFFAOYSA-N 305.809 3.388 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@]12CCC[C@@H]1C2 1673744522 NBDBGGDUSWZEGH-ZSZQSSIHSA-N 315.461 3.234 10 10 DGCE Cc1nc(C)c([C@@H](C)NCc2cccc(Br)c2O)[nH]1 1893354005 TUFUOEQQSQIYCP-MRVPVSSYSA-N 324.222 3.345 10 10 DGCE CSC1CN(Cc2ccc(C)c(Br)c2O)C1 1905141594 HCRDQKZPIGDKSP-UHFFFAOYSA-N 302.237 3.010 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCN(Cc2ncc(Br)s2)C1 1912150219 QMWMHVXMPMICAC-ZETCQYMHSA-N 302.201 3.038 10 10 DGCE [N-]=[N+]=N[C@@H]1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)C1 1912202523 IRJSZEDGXOYLMV-SECBINFHSA-N 321.189 3.067 10 10 DGCE CNCc1ccc(N(Cc2ccccc2)[C@@H](CO)C2CC2)cc1C 1915163042 KUWJUYHIYDCOCF-NRFANRHFSA-N 324.468 3.492 10 10 DGCE C[C@@H](CCNC(=O)OC(C)(C)C)N[C@@H]1CCc2cccc(O)c21 1937008852 JZKVFEUOUMXNAZ-GXTWGEPZSA-N 320.433 3.272 10 10 DGCE C[C@@H](NCc1cc(Br)cc(F)c1O)C1CSC1 1942241169 KEPUSMSFUAAOAA-SSDOTTSWSA-N 320.227 3.135 10 10 DGCE CC(C)(C)OC(=O)NC[C@@]1(Cc2ccc(N)cc2)CC1(F)F 1952912752 FIABYCKXKJOEBG-OAHLLOKOSA-N 312.360 3.361 10 10 DGCE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2ccc(N)cc2)C1 1959567211 NLVGXGOXBZJOFM-CHWSQXEVSA-N 305.422 3.008 10 10 DGCE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(CCCN=[N+]=[N-])C1 1962287463 IHGQMNMVCZOAKR-CHWSQXEVSA-N 311.430 3.312 10 10 DGCE Oc1cccc(F)c1CNC[C@@H]1CCN(Cc2ccccc2)C1 1964033354 SXKKBAHPPFNOAJ-INIZCTEOSA-N 314.404 3.143 10 10 DGCE CN(C)c1ccc([C@@H](O)[C@]2(C)CCN2C(=O)OC(C)(C)C)cc1 1977938909 MJBFZBRPYSJFGY-QAPCUYQASA-N 320.433 3.186 10 10 DGCE CN(CCC[C@@H](N)c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C 1977946157 UEXCFCKDJQHXML-MRXNPFEDSA-N 321.465 3.400 10 10 DGCE CCN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(N)cc1 1977966967 AQGDNPMLVJPYPF-INIZCTEOSA-N 319.449 3.495 10 10 DGCE Cc1ccc(CN[C@H](C)CCN(C)C(=O)OC(C)(C)C)c(O)c1 1994456783 QIQGUEJGLYPJHU-CQSZACIVSA-N 322.449 3.436 10 10 DGCE C[C@H]1C[C@@H](N(C)c2ccc(CN)c(Br)c2)CS1 2015477626 BXPNSBGBUSEYGJ-JOYOIKCWSA-N 315.280 3.238 10 10 DGCE C[C@@H]1CCO[C@H]1CN(C)Cc1c(O)cccc1Br 2034984657 LIYDQHAIPYNILG-YGRLFVJLSA-N 314.223 3.012 10 10 DGCE C[C@@H](c1c(O)cccc1F)n1cc(C(=O)OC(C)(C)C)cn1 2069978326 VRGKWPSYOUNXIA-JTQLQIEISA-N 306.337 3.292 10 10 DGCE COc1ccc(O)c(Cn2nc(C3CC3)c(C(C)C)c2N)c1 2079836312 ZQUGICYQKLWPSY-UHFFFAOYSA-N 301.390 3.229 10 10 DGCE Cc1cc(O)c([C@@H](C2CC2)n2nc(C(C)C)c(N)c2N)cc1C 2079958313 UEOHKZZWYQGMKN-QGZVFWFLSA-N 314.433 3.493 10 10 DGCE CN[C@H](C)c1ccc(N2CC=C[C@H]2CF)cc1Br 2082870590 JDTVIWGIMRYCBN-PWSUYJOCSA-N 313.214 3.444 10 10 DGCE CN(C)CC1(CNCc2cc(Cl)cc(Cl)c2O)CC1 2104897997 GOHIOMJHGJVJME-UHFFFAOYSA-N 303.233 3.130 10 10 DGCE NCc1ccc(N2CCCSC[C@H]2C(F)(F)F)c(F)c1 2143596593 BCKUMUDGXDZSJB-LBPRGKRZSA-N 308.344 3.159 10 10 DGCE CN(C[C@@H]1C[C@]12CC2(F)F)c1cc(Cl)c(CN)cc1F 2177389466 UPFADYKNFLPZFA-ZANVPECISA-N 304.743 3.419 10 10 DGCE CCN[C@]1(CO)C[C@@H](Sc2nccs2)CC2(CCC2)C1 2183541762 HVNKUPDAWQDDDW-SWLSCSKDSA-N 312.504 3.299 10 10 DGCE CSc1ncc(CNC[C@H]2OCCc3ccccc32)s1 2208513490 OUUZGIBYPUGIES-CQSZACIVSA-N 306.456 3.269 10 10 DGCE CN(CCF)c1ccc(CNC2CCC2)cc1Br 2223535965 VDMDFCGPMSWESG-UHFFFAOYSA-N 315.230 3.497 10 10 DGCE Cc1cc(N2CCN(Cc3ccccc3)CC2)ccc1[C@H](C)N 2243951747 BVZJNNUVDYCNLA-KRWDZBQOSA-N 309.457 3.337 10 10 DGCE CO[C@]1(C)CCN(Cc2ccc(C)c(Br)c2O)C1 2327796455 HQTGYDWWYUHOHL-CQSZACIVSA-N 314.223 3.074 10 10 DGCE O=C(O)C1CCN(N=Nc2ccc(OC(F)(F)F)cc2)CC1 2330242035 RBSFKMXLFXQYSU-UHFFFAOYSA-N 317.267 3.381 10 10 DGCE CC(C)(C)/C=C/C(=O)NCc1ccc(N2CCSCC2)cc1 109986723 FRYLLOKXUSHXNN-CMDGGOBGSA-N 318.486 3.458 10 10 DGCE COc1ccc(O)c(CNC(=O)N[C@H](C)c2cc(C)oc2C)c1 114592527 QGLKZVRTZGBIOA-LLVKDONJSA-N 318.373 3.171 10 10 DGCE COC(=O)/C=C/c1ccc(N2[C@H](C)CC[C@H]2C)c([N+](=O)[O-])c1 301635633 WJJNAPTWTXRZHX-FUDMEFDJSA-N 304.346 3.158 10 10 DGCE COc1ccc(O)c(CNC(=O)C/C=C/c2ccccc2F)c1 176158331 RNUMDEAWJOJVDB-GQCTYLIASA-N 315.344 3.260 10 10 DGCE Cc1ccc(O)c(CNc2cc3c(cc2Cl)NC(=O)C3)c1 71407509 VGFPAHPKNJZUNJ-UHFFFAOYSA-N 302.761 3.461 10 10 DGCE COc1cccc([C@@H]2CN(Cc3cccc(C)c3O)CCO2)c1 180047657 NQLWIMHZVLRROC-SFHVURJKSA-N 313.397 3.283 10 10 DGCE CN(C)C(=O)c1ccc(Cl)c(NCc2ccccc2O)c1 37125408 KMXKSLPCDZIFOS-UHFFFAOYSA-N 304.777 3.360 10 10 DGCE CC[C@]1(C)CN(c2cc(Cl)c(OC)cc2OC)[C@H](C)CN1 86220368 WOXPIQXGIGXQMF-BDJLRTHQSA-N 312.841 3.324 10 10 DGCE Cc1cccc2c1N[C@H](c1ccc3c(c1)CCCN3C)NC2=O 194629632 UDDZGAFDZFWBCV-SFHVURJKSA-N 307.397 3.232 10 10 DGCE C[C@@]1(CNCc2ccc(N3CCOCC3)c(F)c2)CCCS1 133582184 VRBSAFMREJORSZ-KRWDZBQOSA-N 324.465 3.038 10 10 DGCE C[C@H]1CSCCN1c1ccc([C@@H](C)N)c(Br)c1 235219478 QGDLCXKTCZKRJN-VHSXEESVSA-N 315.280 3.411 10 10 DGCE CCOc1cccc(CN(CC)CCc2nccs2)c1O 93764531 WJNOGHZXKMXLIR-UHFFFAOYSA-N 306.431 3.312 10 10 DGCE Cc1cc(C)n2nc(N)c(N=Nc3ccc4c(c3)OCO4)c2n1 252612197 IQBWWAVTIRXBLZ-UHFFFAOYSA-N 310.317 3.072 10 10 DGCE aggregator CCCNC1(C(=O)O)CCC(CSc2nccs2)CC1 2167758643 FJQSQBXBLQQJKI-UHFFFAOYSA-N 314.476 3.248 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1C[C@H]1C1CCCC1 649788741 DWWCSNMSDYMBPV-JKSUJKDBSA-N 314.429 3.304 10 10 DGCE Cc1cncc(/C=C/C(=O)N(C[C@@H]2CCCO2)c2ccncc2)c1 130011513 UZRZEIUSPJHLIF-WRFKIARRSA-N 323.396 3.010 10 10 DGCE Cc1cc(Cl)cc(CNC2(C(=O)N(C)C)CCCCC2)c1O 824715541 LMGYFQWMZMKCFE-UHFFFAOYSA-N 324.852 3.235 10 10 DGCE CS[C@@H]1CCCC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 824175434 XCLQACYLCJWZGO-CHWSQXEVSA-N 320.418 3.253 10 10 DGCE C[C@H](CO)[C@H](C)NCc1ccc(N(C)Cc2cccs2)cc1 823924087 RCPDXXUIXUZRSM-CABCVRRESA-N 318.486 3.491 10 10 DGCE COc1ccc(O)c(CNCC2(C(=O)OC(C)(C)C)CCC2)c1 827757684 IKGCVXCIKBBAIO-UHFFFAOYSA-N 321.417 3.002 10 10 DGCE Cc1cc(O)c(CNC2C[C@@H]3CCC[C@H](C2)N3C)cc1Cl 825320377 KCFXXPLBFMBQEQ-GOOCMWNKSA-N 308.853 3.459 10 10 DGCE O=C(NCc1ccccc1O)Nc1ccnn1C1CCCCC1 748462220 BUWGLLHZCDQGDN-UHFFFAOYSA-N 314.389 3.416 10 10 DGCE COc1ccc(N2CC[C@@H](COC(=O)/C=C/C3CC3)C2)cc1 842880021 VPZSMLOHALLMGB-BCFOUKGLSA-N 301.386 3.031 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C1(C(F)F)CC1 843607304 YYZWKIULCCGVEN-GFCCVEGCSA-N 310.388 3.154 10 10 DGCE C[C@H](CNC[C@@H](N)c1ccc(N(C)C)cc1)Cc1ccccc1 841046058 VKGYTXBKICKYAK-OXJNMPFZSA-N 311.473 3.221 10 10 DGCE Cc1cc(N(C)C)ccc1CN1CCC(=O)Nc2ccccc21 840947202 RANQNVCAKPIURG-UHFFFAOYSA-N 309.413 3.410 10 10 DGCE CCOc1ccc(O)c(CN[C@H](CO)CC2CCCCC2)c1 841893175 FWFVKXBIRDVULK-INIZCTEOSA-N 307.434 3.212 10 10 DGCE CCCN(CCC)c1ccc(CN[C@H]2CCCN(C)C2=O)cc1 748242482 NIBWBANDWGWLSQ-SFHVURJKSA-N 317.477 3.023 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)N1CCO[C@H](C)CC1 928533548 SQECCQXLTHLYAB-CQSZACIVSA-N 318.442 3.407 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H]2CC[C@@H](C2)C1 853749347 PYOGDSUWAMCBRA-GJZGRUSLSA-N 301.434 3.003 10 10 DGCE COC(=O)/C=C\c1ccc(N2CC[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 756141822 ZAULWCNYPQQALG-BRLPQQTGSA-N 318.373 3.263 10 10 DGCE CCOc1ccc(CN[C@H]2COc3cccc(C)c3C2)c(O)c1 858215177 BBPNEGPQKJDFGP-OAHLLOKOSA-N 313.397 3.193 10 10 DGCE COc1ccc(N2CCCN(CC[C@H]3CCCCO3)CC2)cc1 754016460 XERZTPWBFJLXGA-LJQANCHMSA-N 318.461 3.167 10 10 DGCE CC1(C)CCC[C@@H]1CCNC(=O)NCCc1ccc(N)cc1 861641632 VBGGUOBNBJYCKW-OAHLLOKOSA-N 303.450 3.327 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@H](C)c2ccncc2)cc1 864926965 PYEWPOYLRBAVMA-OAHLLOKOSA-N 311.429 3.348 10 10 DGCE COc1cccc(NC(=S)NCc2ccc(Cl)cn2)c1 776194649 LWKSRZMZOVVBFH-UHFFFAOYSA-N 307.806 3.230 10 10 DGCE CCn1cccc1C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C 1142418562 GMEJCEOFOSZILV-HNNXBMFYSA-N 313.445 3.243 10 10 DGCE C[C@@H](CC(=O)NCc1c(O)cccc1O)c1ccc(F)cc1F 1304053408 KMGHBKHHCIBMRJ-JTQLQIEISA-N 321.323 3.186 10 10 DGCE C[C@H](NC(=O)c1ccncc1C(F)(F)F)c1ccccc1O 1171729463 DGTSYPFKQKAIDZ-VIFPVBQESA-N 310.275 3.297 10 10 DGCE CN(Cc1ccsn1)c1ccc(CO)cc1C(F)(F)F 705670621 YVRDCWCQVCQLCY-UHFFFAOYSA-N 302.321 3.291 10 10 DGCE Cn1cnc(/C=C/C(=O)N2CCCc3ccc(F)c(Cl)c32)c1 1437133343 MJDWQMYRPKXXCN-FNORWQNLSA-N 319.767 3.205 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)C[C@H]2CC[C@H](C)C2)cc1 1530908081 XHEHTSZVSXNJJS-HOTGVXAUSA-N 318.461 3.416 10 10 DGCE COC(=O)c1cc(OCc2cccc(Cl)n2)ccc1N(C)C 1614868609 BYYCIYMILXPGOU-UHFFFAOYSA-N 320.776 3.167 10 10 DGCE CN(C)c1ccc(CNC(=O)c2cc(Cl)ccc2N)cc1F 1627045604 AALHEFIPTVIZDC-UHFFFAOYSA-N 321.783 3.057 10 10 DGCE CCN(CC(C)=O)C(=O)Cc1cc(C)n(-c2ccccc2)c1C 1628382916 WQAMAVJPMCOQKX-UHFFFAOYSA-N 312.413 3.074 10 10 DGCE CCC/C(C)=C\C(=O)N(C)CCN(C)c1ccc(OC)cc1 1639814271 QZBSHAPDRWOWGL-PFONDFGASA-N 304.434 3.336 10 10 DGCE O=[N+]([O-])c1cc2ccccc2nc1NCc1cc(O)ccc1O 1643129805 JREIZTXXVNLVLZ-UHFFFAOYSA-N 311.297 3.166 10 10 DGCE COc1ccc(N(C)CC(=O)c2ccccc2F)cc1OC 1657126367 JSGIVGPCPRFDCP-UHFFFAOYSA-N 303.333 3.162 10 10 DGCE C[C@@H](NC(=O)c1ccccc1-c1cn[nH]c1)c1ccccc1O 1587447368 QRVCSUBPEKGIIV-GFCCVEGCSA-N 307.353 3.273 10 10 DGCE CCSc1ccccc1C(=O)NCc1cccc(O)c1O 1651173080 PSTSOKODYIUKAO-UHFFFAOYSA-N 303.383 3.140 10 10 DGCE CN(CC(F)F)c1ccc(C=CC(=O)O)c(Br)c1 1911842228 AKTLABQIEBHZOW-UHFFFAOYSA-N 320.133 3.248 10 10 DGCE Nc1ccc(CC(=O)Cc2cccc(Br)c2)cc1 166819497 QKIRLDOWLZWGEB-UHFFFAOYSA-N 304.187 3.386 10 10 DGCE COC(=O)c1ccc(N=c2[nH]c3ccc(C)cc3s2)c(O)c1 1859859280 JOXSOTDQYSVNNF-UHFFFAOYSA-N 314.366 3.262 10 10 DGCE C[C@@H](O)c1ccc(N(C)CCOC2CC2)cc1Br 1914519682 BNHTUZRKSWIWTM-SNVBAGLBSA-N 314.223 3.118 10 10 DGCE CN[C@H](CC1(NC(=O)OC(C)(C)C)CC1)c1ccccc1O 1928468123 SOPIBAVPUBDFSJ-CYBMUJFWSA-N 306.406 3.100 10 10 DGCE C[C@H](N[C@H](C)CCNC(=O)OC(C)(C)C)c1c(O)cccc1O 1937018903 MUUVERHFMTXWSS-NEPJUHHUSA-N 324.421 3.052 10 10 DGCE C[C@@H](CNCc1cc(Cl)cc(Cl)c1O)c1ccn(C)n1 2147082179 YALKFXOHPRSOLW-VIFPVBQESA-N 314.216 3.326 10 10 DGCE CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@H](N)c1ccc(N(C)C)cc1 1977944036 AGDHINWNKIATIS-HOTGVXAUSA-N 321.465 3.302 10 10 DGCE Nc1ccc(OCC[S@](=O)Cc2ccc(Cl)cc2)cc1 166081882 ULAHPXUJNGGWMB-HXUWFJFHSA-N 309.818 3.250 10 10 DGCE NCc1ccc(N2CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 2003121914 SOTQEVXUSZQDAV-PMACEKPBSA-N 321.468 3.104 10 10 DGCE C[C@@H](N)c1ccc(N(C)C[C@H]2C[C@@H]2F)c(Br)c1 2014705021 NVDUINPETOCLTI-UISBYWKRSA-N 301.203 3.263 10 10 DGCE C[C@H]1C[C@]1(F)CN(C)c1ccc(CN)cc1Br 2025729805 JQVJIPHRGAEUJG-ZANVPECISA-N 301.203 3.092 10 10 DGCE CC(C)OC1CN(c2ccc([C@@H](C)N)c(Br)c2)C1 2040864314 DCTSVYKXRGJDNN-SNVBAGLBSA-N 313.239 3.082 10 10 DGCE CC[C@@H](c1cc(Br)ccc1O)N(C)[C@@H](C)CCN 2040925033 MPISJFWIPXUTFD-GWCFXTLKSA-N 315.255 3.275 10 10 DGCE CCOC(=O)C1CCC(Sc2ncc([C@H](C)N)s2)CC1 2159808820 GGEGUCAZUKVPLD-WHXUTIOJSA-N 314.476 3.377 10 10 DGCE NCc1cc(F)c(N2CC[C@@](F)(C(F)(F)F)C2)cc1Cl 2177387128 DQLQBMIMDVLNJB-NSHDSACASA-N 314.685 3.419 10 10 DGCE Cc1cccc(O)c1Cn1nc(C(C)C)c(CO)c1C(F)F 2078995600 WTEUALFHWRFINU-UHFFFAOYSA-N 310.344 3.499 10 10 DGCE CC(C)c1nn(-c2ccc(O)c(O)c2)c(N)c1C(F)(F)F 2079796322 IQGNRRQCBHFIAE-UHFFFAOYSA-N 301.268 3.008 10 10 DGCE COc1ccc(O)c([C@@H](C)NCC2(Br)CCC2)c1 2049203812 FLCHYHGIKVSBBW-SNVBAGLBSA-N 314.223 3.369 10 10 DGCE C[C@@](O)(c1ccc(Br)cc1)[C@H](N)c1ccccc1O 2091867477 MKZDBLAHMLEIAC-HUUCEWRRSA-N 322.202 3.062 10 10 DGCE Cc1cc([C@H](O)[C@H](N)c2ccccc2O)ccc1Br 2091868639 UAHVTZPFZGFBNX-CABCVRRESA-N 322.202 3.197 10 10 DGCE Cc1cc(Br)ccc1[C@@H](O)[C@H](N)c1ccccc1O 2091859173 NESOPZMABAOEOQ-HUUCEWRRSA-N 322.202 3.197 10 10 DGCE Cc1ccc(Br)c(CN(C)Cc2ccc(N)cc2)n1 2112723354 UETFMSHTPIFRKJ-UHFFFAOYSA-N 320.234 3.367 10 10 DGCE CN(CCc1ccc(N)cc1)Cc1cc(Br)cn1C 2114690347 OCYSDMAUKSZJMZ-UHFFFAOYSA-N 322.250 3.044 10 10 DGCE C[C@H](NCc1ccc(N)cc1)[C@H]1CCCN1C(=O)OC(C)(C)C 2244481469 HRHRPRUVNPWWCL-XJKSGUPXSA-N 319.449 3.146 10 10 DGCE CCNc1ccc(C(=O)NCc2cnc(SC)s2)cc1 2284723075 NJSZILAQELDHRD-UHFFFAOYSA-N 307.444 3.227 10 10 DGCE Oc1cccc(Br)c1CN[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2F 2308606654 QBDXKVMMTVVVGX-WTTBSCSTSA-N 314.198 3.381 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)c2cccc3ncccc23)c1 104901135 WQYAGKMKQZXAJK-GFCCVEGCSA-N 322.364 3.440 10 10 DGCE C[C@@H](C(=O)Nc1ccc(N)cc1)N(Cc1ccccc1)C1CC1 302868635 IYGVDPAFAHVTOD-AWEZNQCLSA-N 309.413 3.260 10 10 DGCE C[C@@H]1CCN(C(=O)c2cccc(O)c2O)[C@H]1c1cccc(F)c1 185785012 CAAUELNAGVXHRO-BDJLRTHQSA-N 315.344 3.460 10 10 DGCE Cc1cnc(CNC(=S)Nc2ccc3nc[nH]c3c2)c(C)c1 244271325 WONSSIZFKKLSQF-UHFFFAOYSA-N 311.414 3.061 10 10 DGCE CN(Cc1cccc(Cl)c1O)C[C@@H]1COCCC1(F)F 2166667257 RHWZDPKSTAOXMR-LLVKDONJSA-N 305.752 3.149 10 10 DGCE CN[C@@H](c1ccc(N(C)C)cc1)[C@H](O)c1ccc(Cl)s1 2163127425 OTYMDEGHBQCWEN-LSDHHAIUSA-N 310.850 3.462 10 10 DGCE C[C@@H]1CC[C@H]1NC(=O)N(Cc1ccco1)Cc1ccccc1O 807557328 XYCSQLYAFFDRBS-CZUORRHYSA-N 314.385 3.496 10 10 DGCE C[C@@H](N[C@H]1CCCN(C)C1)c1cccc(C(F)(F)F)c1O 815563996 UPOZNXXKNZXANP-MNOVXSKESA-N 302.340 3.156 10 10 DGCE Oc1c(Cl)cccc1CN1C[C@]23CCCC[C@@]2(COC3)C1 827849365 FKCFAQSSGGIUOV-IRXDYDNUSA-N 307.821 3.438 10 10 DGCE CCN1CCC(CNC/C=C\c2ccc(N(C)C)cc2)CC1 835039065 WFYZWIABRWCXCA-WAYWQWQTSA-N 301.478 3.087 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC[C@H](C)F 838619924 OWPPBWJWECXDOG-AWEZNQCLSA-N 309.429 3.421 10 10 DGCE O=C(NCc1ccc(O)cc1O)[C@@H]1CC[C@@H](c2ccccc2)C1 910943344 NBDYEGHBVQBUSM-HUUCEWRRSA-N 311.381 3.298 10 10 DGCE Cc1cccc(CN(CC(=O)OC(C)(C)C)CC2CC2)c1O 846052927 KQDPYBNUICBPNG-UHFFFAOYSA-N 305.418 3.254 10 10 DGCE O=C(c1cccc(O)c1O)N(Cc1cccc(F)c1)C1CCC1 928664611 BZLYEUAPQXNJTB-UHFFFAOYSA-N 315.344 3.432 10 10 DGCE Cc1cc(Cl)cc(CN2CCC[C@H]([C@@H]3CCNC3)C2)c1O 843125243 OXOOBJMCVOLCEY-KGLIPLIRSA-N 308.853 3.176 10 10 DGCE COc1ccnc(CNC(=S)Nc2ccc(C)cc2C)c1F 849296249 BRLVNTXTISOEKQ-UHFFFAOYSA-N 319.405 3.333 10 10 DGCE c1cc(N2CCOCC2)ccc1CNCC[C@@H]1CC[C@@H]2C[C@@H]12 922440612 SNHQPHGIWVQFTK-SCTDSRPQSA-N 300.446 3.049 10 10 DGCE COc1ccc(N2CC[C@H](N[C@@H](C)c3cnccc3C)C2)cc1 850489223 SCXFUTDKFGVOME-HOTGVXAUSA-N 311.429 3.328 10 10 DGCE CSC1CCC(CNC(=O)/C=C/c2ccc(O)c(O)c2)CC1 927387110 ZBYUDQNYTGGDFE-WEVVVXLNSA-N 321.442 3.149 10 10 DGCE CC(C)CCCC(=O)NCc1ccc(N2CCC(O)CC2)cc1 856214866 FADORJUVTKAOPR-UHFFFAOYSA-N 318.461 3.090 10 10 DGCE C[C@H](N[C@@H]1CCOC[C@@H]1C)c1ccc(Br)cc1O 762647198 FGVDWTUHLHIFKN-OUJBWJOFSA-N 314.223 3.230 10 10 DGCE C[C@H]1CCCCCN1Cc1ccc(N2CCOCC2)c(F)c1 769414517 CPNHMGJOVNYGOV-HNNXBMFYSA-N 306.425 3.427 10 10 DGCE O=C([C@@H]1C[C@@]12CCc1ccccc12)N1Cc2cccc(O)c2C1 871202384 GFQAHPADPZZEBQ-FXAWDEMLSA-N 305.377 3.139 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2CCCC(=O)OC(C)(C)C 784220399 BCNGNJDDXDNCRG-UHFFFAOYSA-N 320.433 3.073 10 10 DGCE COc1cc(Cl)cc(CNCc2cc(C3CC3)no2)c1O 895765182 KUWIHMCNUPQZRP-UHFFFAOYSA-N 308.765 3.209 10 10 DGCE CO[C@@]1(CNCc2cc(Cl)ccc2O)CCCSC1 1879921613 LCIOKMNMMMATQI-CQSZACIVSA-N 301.839 3.047 10 10 DGCE COc1cc(O)c(CN2CC[C@H](C(F)(F)F)[C@H]2C)cc1OC 793232573 YUPALNDFGJAHJW-KOLCDFICSA-N 319.323 3.182 10 10 DGCE C[C@H]1[C@@H](C)SCCN1c1ccc(CN)cc1C(F)(F)F 133328485 BCMNMXIXMXSWGF-VHSXEESVSA-N 304.381 3.494 10 10 DGCE CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CCN1CCCN=[N+]=[N-] 1962287942 OWWLZRJIQRXZFM-CYBMUJFWSA-N 311.430 3.264 10 10 DGCE Nc1ccc(Cc2nc(-c3c(F)cccc3Cl)n[nH]2)cc1 82753128 MPYXXZWJDBTTAH-UHFFFAOYSA-N 302.740 3.437 10 10 DGCE Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NC[C@]12CCC[C@H]1NCC2 1332422438 WBAVKAPIYWNFEP-XWESNNAXSA-N 300.446 3.371 10 10 DGCE CN(C[C@@H]1C[C@@H]1C1CC1)c1ccc(CN)cc1Br 698339771 RTMHUNCNAJHPGA-QWHCGFSZSA-N 309.251 3.390 10 10 DGCE Cc1ccc(C(=O)NCc2c(O)cccc2O)c(F)c1Cl 1456234914 KCCNQBAUAJNERS-UHFFFAOYSA-N 309.724 3.129 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)c1cccc2c1CCC2 1299721332 HEFKHIUMZJHPEL-UHFFFAOYSA-N 318.376 3.359 10 10 DGCE C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)Cc1ccc(O)c(O)c1 1465120263 ROHCAQUMTIYLEZ-CZUORRHYSA-N 311.381 3.045 10 10 DGCE C/C(=C(/F)C(=O)NCc1ccc2c(c1)CCCN2C)C1CC1 1542389702 LNIDHPCPNLNOIH-ATVHPVEESA-N 302.393 3.339 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)NCc2ccc(F)c(F)c2)cc1 1540786680 GKDKBOGLUPQQNL-UHFFFAOYSA-N 318.283 3.057 10 10 DGCE COc1ccc(CNCC[C@@H](C)NC(=O)C2CC(C)C2)cc1C 1715636068 OZGXYMIWEVUPEL-GNHJJJEISA-N 318.461 3.034 10 10 DGCE C[C@H]1C[C@H]1c1ccc(CCC(=O)NCc2cc(O)ccc2O)o1 1633595295 QLGUVAINTJEGEH-XHDPSFHLSA-N 315.369 3.063 10 10 DGCE CCN(C)c1ccc(CN(C)[C@H](CO)Cc2ccccc2)cc1 1643796522 OKMGPVABJIIMGD-FQEVSTJZSA-N 312.457 3.178 10 10 DGCE Cc1cc(CN[C@H](CO)c2cc(F)ccc2F)ccc1N(C)C 1655092841 NKRHGAMPRMKIPH-QGZVFWFLSA-N 320.383 3.162 10 10 DGCE CCCCCc1cc(C(=O)NCc2cc(Cl)ccc2O)n[nH]1 1583821265 XNFIUEJOXFMSQK-UHFFFAOYSA-N 321.808 3.431 10 10 DGCE Cc1cc2ccccc2n1CC(=O)N1Cc2cccc(O)c2C1 1650672772 ODHHKUJYVKIJPK-UHFFFAOYSA-N 306.365 3.198 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN(C(=O)c2ccnc(Br)c2)C1 1912149983 NTWYRIKIDQKYIM-SECBINFHSA-N 324.182 3.007 10 10 DGCE CCN(C)c1ccc(CN2CCC(c3ncccn3)CC2)cc1 1660241422 CZCMXMDVVWDPMG-UHFFFAOYSA-N 310.445 3.312 10 10 DGCE C[C@@H]1OC2(C)CC1(NCc1cc(Cl)cc(Cl)c1O)C2 1966076765 KKYDWAIQERUEGX-AHOQVSSZSA-N 302.201 3.499 10 10 DGCE NC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(O)cc1O)N2 13639669 RABVUMJFFGARJV-ZJNRKIDTSA-N 322.364 3.023 10 10 DGCE CCN[C@@H]1C(=O)Nc2cc(N3C[C@H](C)C[C@@H]3C)c(Cl)cc21 164482002 PHKFMIZCZFXJRT-FTGAXOIBSA-N 307.825 3.177 10 10 DGCE CC1CCN(c2ccc(CNC(=O)[C@@]3(C)CCCO3)cc2)CC1 153135409 GCHGNKPSLGLQKJ-LJQANCHMSA-N 316.445 3.108 10 10 DGCE CN(Cc1ccccc1O)Cc1cccc2c1OC(F)(F)O2 1138069554 KSXLXOYGKLXWSE-UHFFFAOYSA-N 307.296 3.346 10 10 DGCE CNCc1ccc(N2CC3(C2)CC3(F)F)c(Br)c1 1914927449 ZHFWHYQUZPOPNV-UHFFFAOYSA-N 317.177 3.014 10 10 DGCE C[C@H](Nc1c(N)cccc1Br)[C@@H]1C[C@H]2CCO[C@@H]21 1926224104 RIXBRUGXUBWMBN-JIXVBMEVSA-N 311.223 3.257 10 10 DGCE CCCNCc1ccc(N2C[C@@H](F)[C@H](OC)C2)c(Cl)c1 2146485404 VQDIPORKQJIZFS-UKRRQHHQSA-N 300.805 3.013 10 10 DGCE C[C@H]1C[C@@H](NCc2ccc3c(c2)CCO3)CN1Cc1ccccc1 237697131 NDHZPSXQJVBARO-OXJNMPFZSA-N 322.452 3.374 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H]2C[C@]1([C@H](N)c1ccccc1O)C2 1989673629 KZZSDHMNKMCVJO-DWQUBVKVSA-N 318.417 3.182 10 10 DGCE CC[C@@H]1[C@@H](NCc2cccc(C)c2O)CN1C(=O)OC(C)(C)C 1994452187 XCVRZAFQMKUMOG-LSDHHAIUSA-N 320.433 3.188 10 10 DGCE C[C@@H]1CC[C@H]1N(C)c1ccc(CN)c(Br)c1F 1998768829 BMXHPRITDTULPG-PSASIEDQSA-N 301.203 3.282 10 10 DGCE C[C@H](O)c1ccc(N2CC=C[C@H]2CF)c(Br)c1 2024024065 UDUAPKAZPRSYJN-ONGXEEELSA-N 300.171 3.217 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@@]12COC[C@@H]1C2(F)F 2161887399 ONMRZEWSKNLDJJ-CMPLNLGQSA-N 324.154 3.070 10 10 DGCE Cc1conc1CN[C@H](C)c1cc(Br)ccc1O 2064853383 BDIQPPQLTRPCPQ-SECBINFHSA-N 311.179 3.302 10 10 DGCE COC(=O)c1cc(C(C)C)nn1[C@@H](C)c1ccc(OC)cc1O 2069954094 GPBXKKRBPYMGEM-NSHDSACASA-N 318.373 3.117 10 10 DGCE CCc1nn(Cc2cccc(Cl)c2O)c(N)c1C(F)(F)F 2079648179 QEXZOTKJWQKGRF-UHFFFAOYSA-N 319.714 3.454 10 10 DGCE Cc1cc(O)c([C@H](n2nc(C)c(C=O)c2N)C2(C)CC2)cc1C 2079936483 REWLIWXKQMMHAO-INIZCTEOSA-N 313.401 3.298 10 10 DGCE Cc1cc(O)c([C@@H](C)n2nc(C(C)C)c(C=O)c2N)cc1C 2079958430 VDGXCIIMNLWZSA-GFCCVEGCSA-N 301.390 3.333 10 10 DGCE COC[C@]1(C)CCCN1Cc1c(O)cccc1Br 2084136986 AWCPERSHZJMXOS-AWEZNQCLSA-N 314.223 3.156 10 10 DGCE N[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CC12CCC2 2089047962 MXCBFFIYLXDUCX-GFCCVEGCSA-N 301.217 3.012 10 10 DGCE C[C@H](N)c1ccc2c(c1)CCCN2C[C@@]1(Cl)CC1(F)F 2205572019 WXSAKTZAEWDVJM-HZMBPMFUSA-N 300.780 3.476 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NC(=O)c1ccccc1Br 2218740967 APEWCEVDQGAVOB-WDEREUQCSA-N 309.167 3.410 10 10 DGCE COc1ncc(Br)cc1NCc1ccc(C)cc1O 2232152443 JOKZFKYQJGHUHC-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE C[C@H](O)c1ccc(N(C)CC[C@H]2CCO2)c(Br)c1 2264012361 UIJJKLGCYGUTRT-JQWIXIFHSA-N 314.223 3.118 10 10 DGCE CCCN[C@H](C)c1cnc(SC[C@@]2(OC)CCOC2)s1 2285439519 LGAMBTAMVSGMBG-BXUZGUMPSA-N 316.492 3.101 10 10 DGCE COc1cc(OC)cc(N(C)C(=O)/C=C/c2ccc(C)nc2)c1 492035285 WFXCONIFRNOHJJ-BQYQJAHWSA-N 312.369 3.083 10 10 DGCE COc1ccc2c(c1)C[C@H](C)N(CCc1ccc(N)cc1)CC2 4211963 GNCHTURXQMPGMG-HNNXBMFYSA-N 310.441 3.309 10 10 DGCE in-man Cc1c(Cl)cccc1NC(=O)[C@@]12CC[C@@H](C(=O)C1=O)C2(C)C 101103778 GENJNNJTQNWEKX-DYZYQPBXSA-N 319.788 3.161 10 10 DGCE Cc1c(N)c2ccccc2n1C(=O)[C@@H](C)Cc1ccc(O)c(O)c1 170028177 LQOXZJGVCFVJEK-NSHDSACASA-N 324.380 3.462 10 10 DGCE CN(Cc1ccccc1O)C(=O)N[C@@H](c1nccs1)C1CC1 175925841 APRMNUQDIKNWAW-CQSZACIVSA-N 317.414 3.141 10 10 DGCE CCN(c1ccc([C@H](C)N)cc1Br)[C@@H](C)COC 61697874 PWWLGKKNNUUBHR-QWRGUYRKSA-N 315.255 3.330 10 10 DGCE CC(=O)N(C(=O)N/C=C/C1CCCCC1)c1ccc(N)cc1 218622074 ZYGIBUUOMKSPGS-VAWYXSNFSA-N 301.390 3.425 10 10 DGCE c1ccc(N2CC[C@@H](CNCc3ccc4c(c3)CCO4)C2)cc1 78821770 DNPFEHLFYOTVRG-KRWDZBQOSA-N 308.425 3.238 10 10 DGCE Cc1ccc(O)c([C@@H](C)Nc2ccc(N3CCOCC3)nc2)c1 192799983 SXTZSNURDSKQHH-CQSZACIVSA-N 313.401 3.105 10 10 DGCE CCCC[C@H](N)c1cccc(I)c1O 95769556 BSWSDQGOVDATGN-JTQLQIEISA-N 305.159 3.187 10 10 DGCE Cc1cc(Cl)cc(CNc2ccc3c(c2)OCCNC3)c1O 530182606 WJWOFSPYCLCVNA-UHFFFAOYSA-N 318.804 3.448 10 10 DGCE COC(=O)Cc1sc2ccc(Br)cc2c1O 396276184 PZPPKHSNLPUVMR-UHFFFAOYSA-N 301.161 3.085 10 10 DGCE CC[C@H](NCc1cc(Cl)cc(Cl)c1O)[C@H](O)C(F)F 295071470 PGCRLVUIUXLIMV-ONGXEEELSA-N 314.159 3.193 10 10 DGCE C[C@@H]1CO[C@@H](C(F)(F)F)CN1Cc1cc(Cl)ccc1O 809696750 QCUXRVBXXHLMBX-PRHODGIISA-N 309.715 3.197 10 10 DGCE COC[C@H](C)CNC(=O)Cc1cc(C)n(-c2ccccc2)c1C 823849248 GVPUBUDRDFHZNT-CQSZACIVSA-N 314.429 3.035 10 10 DGCE COc1cccc(CNC(=O)NCC[C@H]2CCC[C@@H](C)C2)c1O 745826698 CFJVFFSTMBOGRT-ZIAGYGMSSA-N 320.433 3.416 10 10 DGCE C/C(=C/c1cccnc1)C(=O)N(C[C@H]1CCCO1)c1ccncc1 846879772 QELYTPNBRWMSQJ-WTQUMQLASA-N 323.396 3.092 10 10 DGCE CCCOc1ccc(CNCCOC2CCOCC2)cc1C 922927896 ABGGYVXNVZJOCI-UHFFFAOYSA-N 307.434 3.069 10 10 DGCE COc1ccc2c(c1)CCCN2Cc1cc(CO)ccc1F 859068975 AABXPIGUTUJPFT-UHFFFAOYSA-N 301.361 3.279 10 10 DGCE O=C(CCOCC1CC1)NCc1ccc(N2CCCCC2)cc1 751360135 FCGLTKVIORMXKJ-UHFFFAOYSA-N 316.445 3.110 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@H]3COC[C@@]3(C)C2)cc1 855841254 KHLUOQHZBKUUAP-FXAWDEMLSA-N 324.424 3.203 10 10 DGCE CN(C)c1ccc(/C=C\CNC[C@@H]2CCCN2CC(F)F)cc1 858231741 PJQXBXKGUXNOFT-IVZVJUQRSA-N 323.431 3.085 10 10 DGCE CO[C@H](CN[C@H](C)c1ccc2ccccc2c1O)[C@H]1CCOC1 850484376 HZLAXCJEBGKTPH-QIIPPGSGSA-N 315.413 3.248 10 10 DGCE C[C@@]1(NCc2cc(F)cc(F)c2O)CCOc2ccccc21 923023760 CNMUFGFMPUJLOW-QGZVFWFLSA-N 305.324 3.458 10 10 DGCE C[C@H](N[C@H](CO)C1CCC1)c1cccc(C(F)(F)F)c1O 850487711 JLANVXBDGOFBPX-TVQRCGJNSA-N 303.324 3.223 10 10 DGCE C[C@@H](O)[C@H](NCc1cc(F)c(N(C)C)cc1F)c1ccccc1 858196413 ONZMSEZBEAPGAT-XIKOKIGWSA-N 320.383 3.243 10 10 DGCE Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](C)Cc2ccc(O)c(O)c2)n1 762800213 NOUOWMDMMJSUNN-NSHDSACASA-N 317.345 3.061 10 10 DGCE CCOC1CC(CNCc2cc(Br)ccc2O)C1 877520778 HSYKIVJGZXMXKH-UHFFFAOYSA-N 314.223 3.059 10 10 DGCE Cc1ncc(/C=C/C(=O)N2CCOc3c2ccc(F)c3F)s1 1129796561 CXIPSZRUPYHPRX-GORDUTHDSA-N 322.336 3.169 10 10 DGCE C[C@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)c1ccccn1 1136025431 KEMBEPVNOXQKEQ-INIZCTEOSA-N 323.440 3.444 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[C@@]21COc1ccc(N)cc1 1897336341 KSHXGAIEYNIBQP-CDHAZOANSA-N 318.417 3.341 10 10 DGCE C[C@@H](N[C@H](C)c1ccccc1O)C(=O)Nc1ccc(F)cc1F 1308010534 QVWBZTPJYPNPIB-GHMZBOCLSA-N 320.339 3.348 10 10 DGCE Cc1ccc(C(=O)NCc2ccc3cccnc3c2O)c(O)c1C 1162607930 ZXEWNOGDNZXAJG-UHFFFAOYSA-N 322.364 3.193 10 10 DGCE COc1ccc(Br)c(CNCC2(C)CC2)c1O 1964050136 FYKIHNRPZZRBMJ-UHFFFAOYSA-N 300.196 3.053 10 10 DGCE COc1ccc(N2CC[C@H](CNCCC(C)C)C2)cc1OC 76379032 XAPLWPQXYWQUPS-OAHLLOKOSA-N 306.450 3.166 10 10 DGCE C[C@H](NCc1c(O)cccc1Br)c1ccns1 716032224 BKXCVPHMCNUDPK-QMMMGPOBSA-N 313.220 3.462 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C[C@@H]1COC(C)(C)O1 1190437353 XPRCPKIPBNIIEO-QGZVFWFLSA-N 306.450 3.115 10 10 DGCE CC/C=C/Cn1c(C2CC2)nnc1N(C)Cc1ccccc1O 1514203632 XZMQVXZXCFYXLG-QPJJXVBHSA-N 312.417 3.464 10 10 DGCE Cc1ccc(N(CC2CC2)C(=O)/C=C/c2cn(C)cn2)cc1F 1534690276 CIIBUUTXCZPVBI-SOFGYWHQSA-N 313.376 3.324 10 10 DGCE CC(C)(C)OC(=O)Nc1ccc(O)c(C2(N)CC(F)(F)C2)c1 1535934201 ZGHUODSOFBFPED-UHFFFAOYSA-N 314.332 3.322 10 10 DGCE COc1c(C(=O)NCc2cc(C)ccc2O)[nH]c2ccccc12 1470255098 QIYUYKVJCYDAQZ-UHFFFAOYSA-N 310.353 3.121 10 10 DGCE O=C(NCc1c(O)cccc1F)[C@@H]1C[C@H]1c1ccc(F)cc1 1471975713 DSQKBLCLALNFBB-QWHCGFSZSA-N 303.308 3.090 10 10 DGCE Cc1onc(-c2cccnc2)c1C(=O)N[C@H](C)c1ccccc1O 1557966998 SYXNGKZTGUTZAP-LLVKDONJSA-N 323.352 3.242 10 10 DGCE O=C(CCCc1c(F)cccc1F)NCc1ccccc1O 1622772809 INZJBCWEDSGMGY-UHFFFAOYSA-N 305.324 3.310 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)c1cc2ccccn2c1 1632223723 NXJTUQGVKBUQBV-UHFFFAOYSA-N 300.745 3.228 10 10 DGCE O=C(CCOCc1ccccc1)NCc1cccc(Cl)c1O 1648605831 AGEUIDQWIZQFTC-UHFFFAOYSA-N 319.788 3.269 10 10 DGCE COC(=O)c1cnc(Sc2c(F)c(F)nc(F)c2F)s1 1651883618 DPLONSLUAOOXEK-UHFFFAOYSA-N 324.280 3.032 10 10 DGCE COc1ccc(C(=O)NCc2c(O)cccc2F)c(Cl)c1 1652295914 VDNXPMFFJYJZPL-UHFFFAOYSA-N 309.724 3.123 10 10 DGCE O=C(NCc1cccc(Cl)c1O)NC[C@@H]1CCC[C@H]2C[C@H]21 1684056464 XLXGEKQRLFSUEG-GMXVVIOVSA-N 308.809 3.281 10 10 DGCE NC(=O)c1cccc2c1N[C@@H](c1ccc(O)cc1O)[C@H]1CC=C[C@H]21 13639716 UFCFBSXOMZUVDV-NVGCLXPQSA-N 322.364 3.023 10 10 DGCE CCCN(Cc1ccc(N)cc1)Cc1c(C)nn(C)c1Cl 166864220 YSGGHGAEIYACFR-UHFFFAOYSA-N 306.841 3.376 10 10 DGCE CC1(C)COCCN(Cc2c(O)cccc2Br)C1 1967783077 UJSGHRFPKBWQRD-UHFFFAOYSA-N 314.223 3.013 10 10 DGCE Oc1cc(Br)ccc1CN[C@@H]1CC[C@H]2[C@@H]1C2(F)F 1967819298 IMLDLTLBZIZPDG-UMNHJUIQSA-N 318.161 3.288 10 10 DGCE Cc1cc(O)c([C@@H](CCC(=O)O)NC(=O)OC(C)(C)C)cc1C 1952841343 SGAHKBVJZNFQAF-CYBMUJFWSA-N 323.389 3.440 10 10 DGCE CN(C)c1ccc([C@@H](O)c2csc(C(F)(F)F)n2)cc1 2144130730 QHDRKSZMSJVEPD-LLVKDONJSA-N 302.321 3.310 10 10 DGCE C[C@H]1N(Cc2ccccc2)CC[C@@]1(N)c1ccc(N(C)C)cc1 1977960741 WGHWNYWEPQHTHC-UZLBHIALSA-N 309.457 3.201 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(N)cc2)[C@@H]2CC[C@H]21 1983874006 LBZMMRHQOQZMPP-HRCADAONSA-N 317.433 3.469 10 10 DGCE Cc1ccc(CNC[C@H]2CCCN2Cc2ccccc2)c(O)c1 1994458424 SQLWTDAMZKGECZ-LJQANCHMSA-N 310.441 3.455 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(CCCN=[N+]=[N-])C[C@H]2C1 1995007832 ZMJYNMNZLAUFJU-MGPQQGTHSA-N 323.441 3.312 10 10 DGCE OCc1ccc(N2[C@H]3CCC[C@H]2CN(Cc2ccccc2)C3)cc1 2011241098 QKHPESCSMQZEKI-SFTDATJTSA-N 322.452 3.422 10 10 DGCE CCOC(=O)[C@@](C)(C[C@H](C)Sc1nccs1)NC(C)C 68639631 RODZCOJUWSUWHM-SMDDNHRTSA-N 316.492 3.334 10 10 DGCE CCCOc1cc(N(CCO)Cc2ccccc2)ccc1N 309852109 YJAYJGMGKMRUMQ-UHFFFAOYSA-N 300.402 3.057 10 10 DGCE C[C@H](O)c1ccc(N(CCO)Cc2ccsc2)c(Cl)c1 2171089167 OYIPDGUEMNSICI-NSHDSACASA-N 311.834 3.454 10 10 DGCE CSc1cnc([C@H](O)c2ccc3c(c2)CCCN3C)s1 2163101679 DDSKHGGQDGCODY-CQSZACIVSA-N 306.456 3.329 10 10 DGCE CO[C@@H]1CC[C@H]1N(C)c1ccc([C@H](C)N)cc1Br 724221007 GFMXUIWQHVDEEC-CUOATXAZSA-N 313.239 3.082 10 10 DGCE CCOC(=O)c1cc(C2CCC2)nn1Cc1ccc(C)cc1O 2069932624 YLCGFNTYZKIKCO-UHFFFAOYSA-N 314.385 3.390 10 10 DGCE COC(=O)c1cc(C(C)C)nn1[C@H](C)c1ccc(C)cc1O 2069940623 YDMQDHMKFVLZPX-GFCCVEGCSA-N 302.374 3.416 10 10 DGCE COc1cnn([C@H](C)c2ccc(F)cc2O)c1Br 2070289562 QJAPILDYXBRIPF-SSDOTTSWSA-N 315.142 3.108 10 10 DGCE C[C@@H](N)c1ccc(N(C)CC(F)(F)C(F)(F)F)c(F)c1 2170195362 WTKZLJYEVNKUFU-SSDOTTSWSA-N 300.246 3.479 10 10 DGCE Cc1ccc(Cn2nc(C(C)C)c(CO)c2C(F)F)c(O)c1 2078982045 QZMKKVJPGKTAJD-UHFFFAOYSA-N 310.344 3.499 10 10 DGCE Cc1cc(N2CCSCC(F)(F)C2)ccc1C[C@H](C)N 2193347374 WHEWMHGTLISGTE-LBPRGKRZSA-N 300.418 3.073 10 10 DGCE Cc1ccc(NCc2cccc(O)c2O)c(Br)n1 2061203492 ROHCYTWOEZNPSR-UHFFFAOYSA-N 309.163 3.176 10 10 DGCE Cc1cc(Br)nc(OCCc2ccc(N)cc2)c1 2077433836 MPXIPXKXELYWPJ-UHFFFAOYSA-N 307.191 3.356 10 10 DGCE COc1cc(NCc2cnc(SC)s2)cc([N+](=O)[O-])c1 2284641592 TWENKJQGBBIMDS-UHFFFAOYSA-N 311.388 3.394 10 10 DGCE CCOc1cc(C=CC(=O)Nc2ccc(N)cc2)ccc1OC 2301562005 PNACVMFJYSHDAW-UHFFFAOYSA-N 312.369 3.328 10 10 DGCE Cc1ccc(CN2CCCC(=O)CC2)c(O)c1Br 2327543436 XWWCUPBNGKYBQZ-UHFFFAOYSA-N 312.207 3.018 10 10 DGCE CN(C[C@H]1CCCOC1)c1ccc(CN)c(C(F)(F)F)c1 111153712 SXYIMLKSLXTUCY-LLVKDONJSA-N 302.340 3.027 10 10 DGCE Nc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 36964231 NGOILYKSKQWCOJ-UHFFFAOYSA-N 316.304 3.088 10 10 DGCE Nc1ccc(Cn2cccc(OCc3ccccc3)c2=O)cc1 36223798 KSVRTESLISXKFL-UHFFFAOYSA-N 306.365 3.058 10 10 DGCE Cc1ccc(Cl)cc1C(=O)NCCOc1ccc(N)cc1 212728770 IZTNYYQYNXICLI-UHFFFAOYSA-N 304.777 3.039 10 10 DGCE C[C@H](NC(=O)/C=C\c1ccc(N2CCOCC2)cc1)C(C)(C)C 210082779 AJNJWEUAGHFYGI-XMELGKRDSA-N 316.445 3.087 10 10 DGCE Oc1c(Br)cccc1CNCC[C@@H]1CCCOC1 527737769 JTXWPYUQCCBZQJ-NSHDSACASA-N 314.223 3.061 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)NCCCCSC 77622818 TWWDQRKANDGHEG-UHFFFAOYSA-N 310.463 3.457 10 10 DGCE CC[C@H](CNCc1ccc(OC)c(C)c1)NC(=O)OC(C)(C)C 227716911 AUQPHDLDDLZTBZ-OAHLLOKOSA-N 322.449 3.397 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)C2CCC(F)(F)CC2)c1 89487134 QEKNRUZXXOFEHG-JTQLQIEISA-N 313.344 3.404 10 10 DGCE Oc1ccc(Cl)cc1CN1CC[C@@H](Oc2cccnc2)C1 93691081 BQQXBWSHEHYEHE-OAHLLOKOSA-N 304.777 3.094 10 10 DGCE CN(c1ccc(CN)c(Br)c1F)C1CCCC1 231838897 YDZUITALQSWJRF-UHFFFAOYSA-N 301.203 3.426 10 10 DGCE CC(C)CC(=O)N1CCN(c2ccc(OC(C)C)cc2)CC1 242774718 DTYZEMDBICTQDH-UHFFFAOYSA-N 304.434 3.169 10 10 DGCE COc1ccc(O)c(CN2C[C@@H](C)OC[C@@H]2c2ccccc2)c1 245865096 PVBMZKRVASENFX-RDTXWAMCSA-N 313.397 3.363 10 10 DGCE Cc1cncc(/C=C\C(=O)NCc2ccc3c(c2)CCCN3C)c1 255525242 NYDCLBGEUCDSEQ-VURMDHGXSA-N 321.424 3.102 10 10 DGCE C[C@@H](N[C@H]1CCOC2(CCSCC2)C1)c1ccccc1O 272887873 RYVPSUZNBQHTEJ-KGLIPLIRSA-N 307.459 3.488 10 10 DGCE Oc1c(CN[C@H]2CCN(Cc3ccccc3)C2)ccc(F)c1F 700783778 XAWIERSELLWGTL-HNNXBMFYSA-N 318.367 3.035 10 10 DGCE CCOc1cccc(CNc2cn(C)nc2-c2ccccn2)c1O 376506409 PPEMDNIJVJLWQD-UHFFFAOYSA-N 324.384 3.199 10 10 DGCE CCC(CC)NC(=O)NCc1cc(Br)ccc1O 804871965 YHTYPLWKUUEIHJ-UHFFFAOYSA-N 315.211 3.143 10 10 DGCE COCC[C@H](COC)N[C@@H](C)c1ccc(Cl)c(Cl)c1O 810256878 IDXONKDRVZBQQP-VHSXEESVSA-N 322.232 3.401 10 10 DGCE C[C@@H](N[C@H]1CCCCNC1)c1cccc(C(F)(F)F)c1O 817983693 IHXVKPAZGJUPPT-MNOVXSKESA-N 302.340 3.204 10 10 DGCE CC[C@@H](NC[C@H]1CC[C@H](C(N)=O)CC1)c1cccc(Cl)c1O 817585221 CRCVQWVBPRWMPF-LALPHHSUSA-N 324.852 3.378 10 10 DGCE CCN(CC)c1ccc(CN2[C@H]3CC[C@H]2[C@@H](CO)C3)cc1F 811519048 SKBXWIRJHXSXMJ-VYDXJSESSA-N 306.425 3.017 10 10 DGCE COc1cc(CN2CCC23CCOCC3)c(O)c(C(C)(C)C)c1 825710762 ZYRJQLQOCIODIC-UHFFFAOYSA-N 319.445 3.453 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@H](CCO)c2ccco2)cc1 835046454 JTBKKDNCQBHTLN-NJELEJDNSA-N 300.402 3.072 10 10 DGCE CCOc1ccc(CN[C@@H](C2CC2)[C@H]2CCCCO2)c(O)c1 848559143 AVHKQJJNTJZUAI-MSOLQXFVSA-N 305.418 3.228 10 10 DGCE Cc1ccccc1-n1cc(CNCc2ccc3c(c2)CCO3)cn1 842673126 DNKMMKHIGMUUJE-UHFFFAOYSA-N 319.408 3.405 10 10 DGCE C/C(=C/c1cccnc1)C(=O)NCc1ccc(N(C)C)cc1C 846875118 DAMIQOXEJIVSHL-GDNBJRDFSA-N 309.413 3.176 10 10 DGCE CC[C@](C)(CO)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 847304562 VKKPYNZRIWFFCY-LJQANCHMSA-N 318.461 3.044 10 10 DGCE O=C(NCc1c(O)cccc1F)[C@@H]1CCCc2sccc21 928704925 GFLIYZXBOIJQPD-LLVKDONJSA-N 305.374 3.329 10 10 DGCE O=C(NCCCSc1nccs1)N1C[C@H]2CC[C@@H](C2)C1 853857774 INIQDJZHJAKUSK-RYUDHWBXSA-N 311.476 3.067 10 10 DGCE COC(=O)C=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 757192753 SVENOCLBUDECQR-UHFFFAOYSA-N 324.424 3.423 10 10 DGCE Oc1cccc(Cl)c1CN1CCO[C@@H](CC(F)(F)F)C1 698222303 SNQLVUSFBNFLNV-VIFPVBQESA-N 309.715 3.199 10 10 DGCE COc1ccc(N2CC[C@H](N[C@H](C)C3(OC)CCCC3)C2)cc1 850486707 JOCFBVAARFBPIT-CVEARBPZSA-N 318.461 3.211 10 10 DGCE CCCN(CCC)c1ccc(CN[C@H](C)C(=O)N(C)CC)cc1 788972626 CJCHICHXHLZOOH-MRXNPFEDSA-N 319.493 3.269 10 10 DGCE Oc1c(F)cc(F)cc1CN1C[C@]23CCCC[C@]2(COC3)C1 895350744 GYUIKRNBEABBMZ-CALCHBBNSA-N 309.356 3.063 10 10 DGCE Oc1c(F)cc(Br)cc1CN1CC2(CC(F)C2)C1 894977811 XEUAEQJAODLCBZ-UHFFFAOYSA-N 318.161 3.228 10 10 DGCE COc1cc(C)cc(CN2CC[C@H](C(F)(F)F)[C@H]2C)c1O 794659145 LMHBKJYFTMOUQX-PWSUYJOCSA-N 303.324 3.482 10 10 DGCE CC(C)(C)OC(=O)Nc1ccc(Nc2ccc(N)cn2)cn1 1959375867 QGDJTNFCIJIQKN-UHFFFAOYSA-N 301.350 3.149 10 10 DGCE O=C1NN=C(c2ccc(F)cc2)/C1=C/Nc1ccc(Cl)cc1 1088686700 KCBGABHKDDDGLJ-ZROIWOOFSA-N 315.735 3.309 10 10 DGCE COc1cccc2c(C(=O)NCc3c(O)cccc3F)coc12 1156170122 HIEWJIIRTRFGLK-UHFFFAOYSA-N 315.300 3.216 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CCCc2ccccc2C1 1304316075 FRWXDMOUQCMKFR-CCCPALQASA-N 323.392 3.175 10 10 DGCE CN(C)c1ccc(CN(Cc2ccc3nonc3c2)C2CC2)cc1 1167108997 WULCQQHTOJXASI-UHFFFAOYSA-N 322.412 3.453 10 10 DGCE CN(C)c1ccc(CN=c2[nH]c(Br)cs2)cc1 1963325352 PEIDYBJCJIYEJF-UHFFFAOYSA-N 312.236 3.006 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Cc1ccccc1 1325556055 RMSSXIXHZPWRRX-INIZCTEOSA-N 310.441 3.351 10 10 DGCE Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@H]1CCCC12OCCO2 715726130 NMKFXNKEVMHVBX-IPYPFGDCSA-N 303.402 3.134 10 10 DGCE Cc1cn(C)nc1CNCc1cc(Cl)cc(Cl)c1O 723525994 XLDKNXHTDNEPHU-UHFFFAOYSA-N 300.189 3.031 10 10 DGCE CCCCC(=O)N(C)C1CC(NCc2ccc(OC)c(C)c2)C1 1333035936 OQPBTFCVJMDFST-UHFFFAOYSA-N 318.461 3.273 10 10 DGCE CC(C)(C(=O)NCc1ccc(N2CCCC2)cc1)C(F)(F)F 1347335999 QAIINENLKPKYFQ-UHFFFAOYSA-N 314.351 3.492 10 10 DGCE CCn1cc(Cl)c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1 1269587118 CATGSKAZWRMOTR-NSHDSACASA-N 320.824 3.113 10 10 DGCE C[C@@H](NC(=O)/C=C\c1ccnc(Cl)c1)c1ccccc1O 1454806734 MULGFPJSKBURCY-JMEBYUIHSA-N 302.761 3.331 10 10 DGCE Cc1ccncc1/C=C\C(=O)N1CCOc2c1ccc(F)c2F 1528833833 YOIXMAGCBWQUSW-DJWKRKHSSA-N 316.307 3.107 10 10 DGCE CCN[C@@]1(CO)C[C@@H](Sc2nccs2)C[C@H](CC)C1 2118791892 WNRYEBAOJDFLHC-SGMGOOAPSA-N 300.493 3.155 10 10 DGCE CC[C@@H](C)Oc1cc(NCc2c(O)cccc2F)nc(C)n1 1612950141 GNBXXHUZKDVTPP-SNVBAGLBSA-N 305.353 3.419 10 10 DGCE CC(C)Cc1cc(N[C@H](C)Cc2ccc(O)c(O)c2)ncn1 1559163325 QPPVPJKXLGXHIC-GFCCVEGCSA-N 301.390 3.129 10 10 DGCE C/C(=C/c1cccc(Cl)c1)C(=O)NCc1c(O)cccc1O 1558533904 MSTORITXQMYZBJ-FLIBITNWSA-N 317.772 3.471 10 10 DGCE CC[C@H](C)c1nnc(N(C)Cc2ccccc2O)n1C1CC1 1495138153 UFLUZWNZLMGVGM-LBPRGKRZSA-N 300.406 3.469 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)c1cc2c(s1)CCC2 1639621352 ALWFKCLGXCTMDW-UHFFFAOYSA-N 324.405 3.421 10 10 DGCE COC(=O)[C@@H](NCc1cccc(Cl)c1O)c1ccccc1 154657157 VVYDQEPWUKEPCP-AWEZNQCLSA-N 305.761 3.050 10 10 DGCE CNCc1ccc(N(Cc2ccccc2)C[C@@H](C)O)cc1Cl 1914634185 REJQECJAUUTMSB-CQSZACIVSA-N 318.848 3.447 10 10 DGCE COc1cc(NCc2ccc(O)cc2O)ccc1Br 118906512 ZNVMPKYXZBXVLN-UHFFFAOYSA-N 324.174 3.481 10 10 DGCE CN(Cc1ccncc1)c1ccc(CN)c(Br)c1F 231839014 IOVQXKGFKQZJSZ-UHFFFAOYSA-N 324.197 3.078 10 10 DGCE Oc1ccc(Br)cc1CNC[C@H]1CC[C@@H](F)C1 1945256779 WMYKXMLFIYOVTG-JOYOIKCWSA-N 302.187 3.383 10 10 DGCE CN[C@H](c1ccccc1O)[C@@]1(NC(=O)OC(C)(C)C)CC1(C)C 1979223560 VLTICVUYQDUWOQ-KDOFPFPSSA-N 320.433 3.346 10 10 DGCE CN[C@@H](c1ccccc1O)[C@@H]1CC=CCN1C(=O)OC(C)(C)C 1980937006 BGKJJLAEWOGVDD-HOCLYGCPSA-N 318.417 3.218 10 10 DGCE Nc1ccc(OCCC(=O)NCc2sccc2Cl)cc1 2146181352 FAOMWDWOYXUILS-UHFFFAOYSA-N 310.806 3.069 10 10 DGCE [N-]=[N+]=NCCOc1cc(Br)c(F)cc1[N+](=O)[O-] 2003035247 RFIWSVPIBINJML-UHFFFAOYSA-N 305.063 3.186 10 10 DGCE CCN[C@@H](C)c1cnc(Sc2nnc3ccccn23)s1 2159804691 FWRISZQAITZKRW-VIFPVBQESA-N 305.432 3.008 10 10 DGCE CN[C@H](C)c1ccc(N2CC[C@H]2CF)c(Br)c1 2011855758 VLMQKSMEGFTNJJ-KOLCDFICSA-N 301.203 3.278 10 10 DGCE CCCNCc1cc(F)c(N(C)[C@H]2CCSC2)c(F)c1 62710460 OAQBDLHYLFKHCD-LBPRGKRZSA-N 300.418 3.406 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)C(F)(F)C2)c1O 2158389554 XGFDBGCFVVNAHB-MRVPVSSYSA-N 303.736 3.335 10 10 DGCE CCN(C(=O)c1occc1Br)c1ccc(N)cc1 711278810 SUDFNWKBESVEBD-UHFFFAOYSA-N 309.163 3.291 10 10 DGCE Cc1ccc(O)c([C@@H](C)n2nc(C3CCC3)cc2C(=O)O)c1 2069856762 VZCMXERDPUGNDV-LLVKDONJSA-N 300.358 3.472 10 10 DGCE CC(C)c1cnn(Cc2cccc(C(F)(F)F)c2O)c1O 2070220944 GVGWHEAVFNKJJA-UHFFFAOYSA-N 300.280 3.485 10 10 DGCE CN(Cc1cc(Cl)ccc1O)[C@H]1CO[C@H](C(F)(F)F)C1 2185547453 WDEVBFJWKXLLSB-PWSUYJOCSA-N 309.715 3.197 10 10 DGCE NCc1ccc(N2CC[C@@H]3CC[C@@H]3C2)c(F)c1Br 2068257291 TXPHENXGIRXXLE-GXSJLCMTSA-N 313.214 3.283 10 10 DGCE CNCc1cc(OC)ccc1N(CCOC)Cc1ccccc1 2211284999 KPKRZGVWLQZJEP-UHFFFAOYSA-N 314.429 3.068 10 10 DGCE CSc1ncc(CNc2nc(CO)ccc2Cl)s1 2256962500 CDMRINAUAGCQQQ-UHFFFAOYSA-N 301.824 3.018 10 10 DGCE CSc1ncc(CN2CCN[C@H](c3ccccc3)C2)s1 2284677086 NLYXZZUTADWVOA-AWEZNQCLSA-N 305.472 3.012 10 10 DGCE C[C@H](NC(=O)C=Cc1ccc(O)c(O)c1)[C@H]1C[C@H]2CC[C@H]1C2 2307982205 SVJZMSYVKSULNK-CYUUQNCZSA-N 301.386 3.052 10 10 DGCE CC=CC[C@@H](CO)N[C@H](C)c1ccc(Br)cc1O 2309492199 VLFYEHOPFGMVLU-PWSUYJOCSA-N 314.223 3.132 10 10 DGCE Cc1cnccc1CNCc1ccc(C)c(Br)c1O 2352685525 XCDSLKVNJNKCBZ-UHFFFAOYSA-N 321.218 3.456 10 10 DGCE CN1C(=O)/C(=C/c2ccc3c(c2)CC(C)(C)O3)SC1=S 105507016 IGPMYHXUFNUXGG-GHXNOFRVSA-N 305.424 3.231 10 10 DGCE C[C@@H](NC[C@H](c1cccs1)N(C)C)c1ccc(O)cc1O 21511935 DBXUZFKMGYBRDE-BXUZGUMPSA-N 306.431 3.113 10 10 DGCE C[C@@H](CNC(=O)Cc1ccc(N)cc1)Oc1ccccc1Cl 178410358 ZWUFRMBUVFTYSC-LBPRGKRZSA-N 318.804 3.048 10 10 DGCE CCNCc1cc(F)c(N(C)Cc2csc(C)n2)c(F)c1 62718628 MOGRASGZWNNJQA-UHFFFAOYSA-N 311.401 3.476 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)CC(F)(F)F 1356267099 MMZLVHZZRYDYOZ-UHFFFAOYSA-N 300.324 3.198 10 10 DGCE Nc1ccc(N[C@@H]2CC[C@@H]2NC(=O)OCc2ccccc2)cc1 1954645114 XMBCVZDUSBTSQM-SJORKVTESA-N 311.385 3.138 10 10 DGCE CN(C)c1ccc(CN[C@@H](Cc2ccccn2)C2CC2)cc1F 122487679 BGEMFMCYQUGAPI-SFHVURJKSA-N 313.420 3.398 10 10 DGCE COc1ccc(C(=O)O)cc1NCc1c(O)cccc1Cl 127329826 QNJNZTHERPPYFA-UHFFFAOYSA-N 307.733 3.365 10 10 DGCE CO[C@H]1CN(Cc2cccc(Br)c2O)CC[C@H]1C 188305440 UMWGNGTUAXSBMV-MFKMUULPSA-N 314.223 3.012 10 10 DGCE CC[C@H](N[C@H](C)Cc1c(C)nn(C)c1C)c1ccccc1O 185213105 NHFCRJVPEQFCPN-PXAZEXFGSA-N 301.434 3.414 10 10 DGCE N[C@H](CC(F)(F)F)c1cc(F)cc(Br)c1O 95716927 NBEINULZIVWSAY-SSDOTTSWSA-N 302.065 3.246 10 10 DGCE CCCCOCc1ccc2c(c1O)C(=O)c1ccccc1C2=O 90447750 RODKZUXLVINQIN-UHFFFAOYSA-N 310.349 3.484 10 10 DGCE c1cc(N2CCCCC2)ccc1CN[C@@H]1C[C@H]2OCCC[C@@H]12 249777908 CNEVGKZBPZPWND-IPMKNSEASA-N 300.446 3.334 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@H]2CCCC[C@H]2n2cccn2)c1 248484990 DRIIXEFLHLYROU-RRQGHBQHSA-N 315.417 3.432 10 10 DGCE C[C@@H](N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)c1ccccc1O 373862179 GCQKKVDPEFMCNE-OAGGEKHMSA-N 316.445 3.224 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1C[C@@H]2C[C@@H]2C1 824858187 ACYMMLUIKNJYNF-MUJYYYPQSA-N 301.434 3.083 10 10 DGCE C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1cc(O)cs1 732284636 VLIVAJRZAIAPIV-SMDDNHRTSA-N 303.383 3.056 10 10 DGCE COc1ccc(O)c(CN(CCN)Cc2cccc(Cl)c2)c1 903954997 XVNUUEZHBQJVDM-UHFFFAOYSA-N 320.820 3.015 10 10 DGCE COc1cccc(CNC(=S)Nc2ccc(C)c(F)c2)n1 748045459 HERCPLBPYHZMEN-UHFFFAOYSA-N 305.378 3.024 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCC(NCC3CC3)CC2)cc1 843054101 CYWITHVKMXZXMG-ONEGZZNKSA-N 313.489 3.230 10 10 DGCE Cc1ccc([C@@H](C)NC[C@H](C)N2C[C@H](C)O[C@H](C)C2)c(O)c1C 848556983 DXGPFXIWGBCCQJ-LJIGWXMPSA-N 320.477 3.157 10 10 DGCE CCOc1cccc(CN2CCC[C@@H](C3CCNCC3)C2)c1O 849350168 LLKMFBZNPFWHRK-MRXNPFEDSA-N 318.461 3.003 10 10 DGCE CC(C)O[C@@H](C(=O)NCc1c(O)cccc1F)c1ccccc1 928706606 RNWYSLYJURLHTA-QGZVFWFLSA-N 317.360 3.314 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)/C(C)=C/C(C)(C)C)C2)cc1 855224997 HGXISPZKKFMCBE-ZQHYZAEZSA-N 316.445 3.383 10 10 DGCE CCc1ccc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1 855234779 MGMKSAKRXGYUJM-QGZVFWFLSA-N 324.424 3.266 10 10 DGCE Cc1ncc(CNCc2cc(C)n(-c3ccccc3)c2C)cn1 858293943 RSYDMDUODIHFBN-UHFFFAOYSA-N 306.413 3.482 10 10 DGCE CO[C@@H](CCNCc1cc(Cl)cc(F)c1O)C(F)(F)F 787416466 DRMBUEPBDAQDTD-JTQLQIEISA-N 315.694 3.242 10 10 DGCE Cc1cccc(N)c1N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C 1959369977 JHCWMXYVSCWBGD-GXTWGEPZSA-N 305.422 3.245 10 10 DGCE C[C@H]1C[C@H]1Cn1c(C2CC2)nnc1N(C)Cc1ccccc1O 1304952956 XCNHOVISQOKBLL-WFASDCNBSA-N 312.417 3.154 10 10 DGCE C[C@H]1[C@@H](C)N(CCCCN=[N+]=[N-])CCN1C(=O)OC(C)(C)C 1962305955 WAIUJBYQIHYQOZ-OLZOCXBDSA-N 311.430 3.407 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H](C)CC(F)F 1328134227 JGHHDMFGNZZESA-LLVKDONJSA-N 313.392 3.152 10 10 DGCE CN(C)c1ccc(CNC(=O)CC2(C(F)(F)F)CC2)cc1 1323464934 FPRPHWLNVVEOKW-UHFFFAOYSA-N 300.324 3.101 10 10 DGCE CSC[C@H]1CCN(c2ccc(CN)cc2C(F)(F)F)C1 706666461 DPWRHDHWZHUQFM-NSHDSACASA-N 304.381 3.353 10 10 DGCE [N-]=[N+]=NCCCCNC(=O)c1ccsc1Br 699134223 JHERNJITHYOBOC-UHFFFAOYSA-N 303.185 3.331 10 10 DGCE CC(=O)N1Cc2ccc(NCc3ccc(F)c(F)c3O)cc2C1 1331027637 RAYSCXANMBSJCE-UHFFFAOYSA-N 318.323 3.145 10 10 DGCE COc1ccc(F)cc1CNCc1cc(F)c(N(C)C)cc1F 1331511024 OQGDHOXLELGIBM-UHFFFAOYSA-N 324.346 3.468 10 10 DGCE COC(=O)c1cc(CN(C)c2ccc(OC)cc2)c(C)s1 1195818540 GICUWTVTZMERTE-UHFFFAOYSA-N 305.399 3.488 10 10 DGCE CCN(C(=O)Cc1ccc(O)c(O)c1)c1cccc(Cl)c1 1540687313 IWJICCJCDRQPJL-UHFFFAOYSA-N 305.761 3.347 10 10 DGCE COc1ccc(CNC2(CNC(=O)C(C)C)CCCC2)cc1C 1482212898 WAJRVOZCUADWEG-UHFFFAOYSA-N 318.461 3.178 10 10 DGCE CCC(C)(C)N[C@@H](C)C(=O)NCc1c(O)ccc2ccccc12 1597737456 XLENZVOZNIBDSF-ZDUSSCGKSA-N 314.429 3.328 10 10 DGCE O=C1c2c(ccc(Cl)c2O)C(=O)c2c(Cl)ccc(O)c21 205477165 CKRVZMAOBQQEBG-UHFFFAOYSA-N 309.104 3.180 10 10 DGCE O=C(NCc1ccc(O)c(O)c1)c1cc2cc(Cl)ccc2o1 159005905 QPRZZDLBWFWMAO-UHFFFAOYSA-N 317.728 3.427 10 10 DGCE CCOC(=O)CCN(C)/N=N/c1ccc(Br)cc1 1860485167 UOLBQPRGFCHYSP-CCEZHUSRSA-N 314.183 3.333 10 10 DGCE CC[C@@H]1CCOCCN1Cc1cc(Br)ccc1O 1913683117 UMWLPZZPBKDWMP-CYBMUJFWSA-N 314.223 3.156 10 10 DGCE CCN[C@H](c1ccccc1O)[C@@H](CC)NC(=O)OC(C)(C)C 1928471588 VVNNBYNBRVEHBQ-UKRRQHHQSA-N 308.422 3.346 10 10 DGCE CC[C@H]([C@H](NC)c1ccccc1O)N(C)C(=O)OC(C)(C)C 1928472719 SZKNQUPXYLPJQR-UKRRQHHQSA-N 308.422 3.298 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@]1(N)c1ccccc1O 1933869964 BPOREPYCICVSMJ-PBHICJAKSA-N 306.406 3.014 10 10 DGCE CC(C)(C)OC(=O)NC1CC2(C1)C[C@@H]2[C@H](N)c1ccccc1O 1940166185 UXYDKPXWAJYHCD-AHXAUTOJSA-N 318.417 3.085 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H](Nc2ccc(N)cc2)[C@@H]2CCC[C@H]21 1977662072 FMNYXGHYHGBTOO-HRCADAONSA-N 317.433 3.469 10 10 DGCE C[C@H]1CN(Cc2ccc(N)cc2)CC[C@H]1NC(=O)OC(C)(C)C 1977924578 CMOQQNLCNHZRJK-XJKSGUPXSA-N 319.449 3.004 10 10 DGCE C[C@@H](CNC(=O)OC(C)(C)C)C[C@H](N)c1ccc(N(C)C)cc1 1977944116 AWLWETKCMCQQBG-CJNGLKHVSA-N 321.465 3.303 10 10 DGCE CC(C)(C)OC(=O)NC[C@]1(F)C[C@@H](CNc2ccc(N)cc2)C1 1980174837 UTKNMAWQOKQHJX-LAUQKZGBSA-N 323.412 3.324 10 10 DGCE O[C@@H]1CCCc2cc(N(Cc3ccccc3)C3COC3)ccc21 1986600570 NYRROPCBHAAKSH-HXUWFJFHSA-N 309.409 3.462 10 10 DGCE CO[C@H]1CN(c2ccc(CNC(C)C)c(Cl)c2)C[C@H]1F 2146480031 WEUBXSMASWHOPX-CABCVRRESA-N 300.805 3.011 10 10 DGCE CCNCc1ccc(N2CC[C@H](CF)C2)c(Br)c1 711519865 RYFPAUVETAEAEZ-GFCCVEGCSA-N 315.230 3.354 10 10 DGCE CNCc1cc(CC(C)C)nn1[C@H](C)c1cc(OC)ccc1O 2070050226 MOPIIWPSVTWFIX-CYBMUJFWSA-N 317.433 3.125 10 10 DGCE CCN[C@H](C)c1cc(F)c(N(C)CC2CSC2)c(F)c1 2194688638 IYIIEBKKTKBOTJ-SNVBAGLBSA-N 300.418 3.435 10 10 DGCE CNCc1ccc(N2CCC[C@@H]2COC(F)F)c(Cl)c1 2236745753 FEXFENPHUJJKIY-LLVKDONJSA-N 304.768 3.267 10 10 DGCE CN1CCCc2cc(CNC3CSCCSC3)ccc21 2237046675 NDYQWRVJNKPTEK-UHFFFAOYSA-N 308.516 3.007 10 10 DGCE COc1ccnc(Br)c1NCc1cccc(C)c1O 2227173193 ZXYCYHJFDNAZRD-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE NCc1ccc(N2CCC(OC(F)(F)F)CC2)cc1Cl 2238806370 SGKIGTKKGWNUIO-UHFFFAOYSA-N 308.731 3.304 10 10 DGCE O=C(/C=C\c1cnccn1)N(CC(F)(F)F)c1ccccc1 493681245 JPQZMBKVNSULFS-SREVYHEPSA-N 307.275 3.085 10 10 DGCE Cc1ccccc1C[S@@](=O)CCCOc1ccc(N)cc1 54964453 GSRUZHJCBZIKDY-OAQYLSRUSA-N 303.427 3.295 10 10 DGCE c1ccc(COCOc2ccc(N3CCCNCC3)cc2)cc1 303828026 ZWPONSRUHFKORF-UHFFFAOYSA-N 312.413 3.039 10 10 DGCE CN1C(=O)/C(=C/c2cnn(-c3ccccc3)c2)c2ccccc21 213503899 AXWVHDIVZXVCND-GZTJUZNOSA-N 301.349 3.389 10 10 DGCE COc1cc(Cl)cc(CN[C@H](CC(C)C)CN(C)C)c1O 228673299 CNSYWIRHHFBIFS-CQSZACIVSA-N 314.857 3.120 10 10 DGCE O=C(O)/C=C/c1ccc(N2CC=CCC2)cc1Br 236466435 FSKDUQGTVAFXJX-FNORWQNLSA-N 308.175 3.313 10 10 DGCE COC(=O)[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2O)C1 92643812 GGAUTPSFKWCKEC-VIFPVBQESA-N 318.200 3.084 10 10 DGCE C[C@H](N)c1ccc(N2CC[C@H]3[C@@H](CCCN3C)C2)cc1Cl 251520137 KTAQKCFMVDNBRZ-DCGLDWPTSA-N 307.869 3.280 10 10 DGCE O=C(COc1ccsc1)NCc1ccc(N2CCCC2)cc1 800322430 AVMRXPMQDJKPBD-UHFFFAOYSA-N 316.426 3.044 10 10 DGCE CCC(C)(C)C1CCC2(CC1)C[C@@H]2C(=O)OCC(=O)C(C)=O 808549596 IZNCSTSSNRYFCZ-TXKKKEFDSA-N 308.418 3.320 10 10 DGCE CN[C@H](c1ccc(N(C)C)cc1)[C@H](O)c1sccc1Cl 2163129781 AUIMDBBPUKZALE-KGLIPLIRSA-N 310.850 3.462 10 10 DGCE O=C(/C=C\c1cncc(O)c1)N1CCc2cc(Cl)ccc21 804347060 DGJWNYPFWAFBHC-RJRFIUFISA-N 300.745 3.043 10 10 DGCE CO[C@@H](C)c1nsc(NCc2ccc(N3CCCC3)cc2)n1 800847275 WEUKFHKQHNZLMG-LBPRGKRZSA-N 318.446 3.458 10 10 DGCE COc1ccc(CNC(=O)Cc2cccc(C(C)C)c2)c(O)c1 837593311 UBIIFSLNYJWCDS-UHFFFAOYSA-N 313.397 3.383 10 10 DGCE c1cc(N2CCOCC2)ccc1CN[C@H]1C[C@@H]2CCC[C@@H]2C1 902761376 OXTDFCVXPPPGAQ-BCDXTJNWSA-N 300.446 3.192 10 10 DGCE CCCN(C)C[C@@H]1CCN(Cc2cc3c(cc2O)CCC3)C1 743393381 POWXQBOPHKAMDT-HNNXBMFYSA-N 302.462 3.045 10 10 DGCE C[C@H](CNC/C=C/c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C 848564740 HSDHUHHGJJOLCI-MVGZEHJDSA-N 318.461 3.333 10 10 DGCE O=C(NCc1ccccc1O)N[C@H]1CCSC2(CCC2)C1 915525825 SNGGHUODPZLVKH-ZDUSSCGKSA-N 306.431 3.010 10 10 DGCE Oc1ccc(Cl)cc1CNc1ccc([C@@H]2CNCCO2)cc1 849351680 BAVQWGSFMXQKSQ-KRWDZBQOSA-N 318.804 3.319 10 10 DGCE Cc1cc(N(C)C)ccc1CNC[C@]1(CO)CCc2ccccc21 846009267 VZAZHEFYLJJOQO-NRFANRHFSA-N 324.468 3.027 10 10 DGCE CCOc1ccc(O)c([C@H]2NC(=O)c3ccc(Cl)cc3N2)c1 914794934 FSYWMCLTRMKCSF-OAHLLOKOSA-N 318.760 3.298 10 10 DGCE C[C@@H]1CC[C@@H](N[C@H](C)c2ccc(N3CCOCC3)cc2)CS1 848526611 CFNCJTIJEVIVFB-BFYDXBDKSA-N 320.502 3.458 10 10 DGCE Nc1ccc(NC(=O)N2CCO[C@@H](C3CCCCC3)C2)cc1 841296072 OIJWXXBPQMUBCJ-MRXNPFEDSA-N 303.406 3.082 10 10 DGCE CC(C)(C)C(=O)CCN(Cc1ccccc1O)C[C@@H]1CCCO1 753747638 LEKIAJQNHZSEFW-INIZCTEOSA-N 319.445 3.379 10 10 DGCE COc1cc(C)cc(CN2CC3(CCCC3)OC[C@@H]2C)c1O 853577860 LUKJDRJJEZHAQR-AWEZNQCLSA-N 305.418 3.243 10 10 DGCE CCN(CC)c1ccc(CNc2ncc3c(n2)CCOC3)cc1 865294251 KAQXNRASRRCKPT-UHFFFAOYSA-N 312.417 3.008 10 10 DGCE C[C@@H](Cn1ncc2ccccc21)C(=O)N(C)Cc1ccccc1O 797188708 JKLWPXTZOKFONK-AWEZNQCLSA-N 323.396 3.037 10 10 DGCE COc1ccc(CNC(=O)CC2CC(OC(C)(C)C)C2)c(O)c1 794382275 TVPQWHGEDVVPBT-UHFFFAOYSA-N 321.417 3.001 10 10 DGCE COc1ccc(N(CCC(C)C)CC(=O)NC(C)(C)C)cc1 796506201 VIIOMROMDOWBRU-UHFFFAOYSA-N 306.450 3.462 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc(CC)c1O 1140198380 BFFKUWGZHOAHLS-UHFFFAOYSA-N 320.385 3.076 10 10 DGCE CC(=O)c1cnc(SCCN(C)C(=O)OC(C)(C)C)s1 1883305499 BJCAGALEEIPWSK-UHFFFAOYSA-N 316.448 3.305 10 10 DGCE C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1c(O)cccc1F 1303875249 DFKHRWUEDIROHU-JTQLQIEISA-N 323.751 3.268 10 10 DGCE CC(C)COc1cccc(C(=O)NCc2c(O)cccc2O)c1 1178906024 XGRCTFQBFDZVFD-UHFFFAOYSA-N 315.369 3.063 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1cc(Cl)c[nH]1 1456310606 LAWFJKBCEIWJCS-UHFFFAOYSA-N 300.745 3.457 10 10 DGCE Cc1ccc(O)c(CNC(=O)Cc2cccc3cccnc23)c1 1629736495 IDHNKWDZXKAOQJ-UHFFFAOYSA-N 306.365 3.108 10 10 DGCE CCn1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)c1C 1626941072 SNZNLXUUJKFRKI-UHFFFAOYSA-N 311.429 3.129 10 10 DGCE COc1cccc(CNC(=O)c2ccccc2C(F)F)c1O 1631541850 BHSJDNKVUQHEEH-UHFFFAOYSA-N 307.296 3.268 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)[C@@H]1CC1(Cl)Cl 1639384780 VCGFHYOJNJGECJ-LBPRGKRZSA-N 310.180 3.355 10 10 DGCE O=C(CC(C1CCC1)C1CCC1)NCc1cc(O)ccc1O 1637126009 JZDKDDLMEVKFPT-UHFFFAOYSA-N 303.402 3.321 10 10 DGCE C[C@@H](NC(=O)c1ncc(Cc2ccccc2)o1)c1ccccc1O 1635793946 OSZZIIQYEVYGPT-CYBMUJFWSA-N 322.364 3.462 10 10 DGCE C[C@]1(CNCc2c(O)cccc2Br)CCCCO1 1560606369 PVLSKVDEADZXNO-CQSZACIVSA-N 314.223 3.204 10 10 DGCE COc1ccc2cc(C(=O)NCc3cccc(O)c3O)ccc2c1 1644707780 AAGBHJLIZBZTCH-UHFFFAOYSA-N 323.348 3.190 10 10 DGCE Cc1ccc([C@@H](NC(=O)Cc2ccc(O)c(O)c2)C2CC2)cc1 1587809634 JBPAACHYDYIPIY-LJQANCHMSA-N 311.381 3.216 10 10 DGCE [N-]=[N+]=N[C@H]1CCN(C(=O)c2ccsc2Br)C1 1912207655 LXRBOLBFVUGQPC-LURJTMIESA-N 301.169 3.035 10 10 DGCE [N-]=[N+]=NCC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1912211136 SJKUKTJWCQUPEF-UHFFFAOYSA-N 314.798 3.051 10 10 DGCE CCCC(=O)N[C@@H]1CCC[C@@H](NCc2ccc(OC)c(C)c2)C1 1662737959 ARHHVGHCVGOYBS-IAGOWNOFSA-N 318.461 3.321 10 10 DGCE CCCc1n[nH]cc1C(=O)NCc1c(O)ccc2ccccc12 1597736275 AVCOHRBNLWOBBH-UHFFFAOYSA-N 309.369 3.151 10 10 DGCE CC1(C)CCO[C@H]1CNCc1c(O)cccc1Br 1966033070 XPVYKDVSLLLMFI-ZDUSSCGKSA-N 314.223 3.059 10 10 DGCE Cc1cccc(C(=O)Nc2ccc(O)cc2C(=O)O)c1Cl 160232206 BJPLIKZEBJVTAY-UHFFFAOYSA-N 305.717 3.305 10 10 DGCE CN[C@@H](c1ccccc1O)[C@@]1(C)CCN1C(=O)OC(C)(C)C 1912908718 AWVUUJWUVMIYEH-WMLDXEAASA-N 306.406 3.052 10 10 DGCE Cc1ccc([C@H](C)N[C@H]2CCCC3(CC2)OCCO3)c(O)c1 1967523695 ONEYUVPWSNYRIB-GJZGRUSLSA-N 305.418 3.427 10 10 DGCE CN[C@@H](c1ccccc1O)[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 1936987655 URYFKDAJPGRCDF-IVMMDQJWSA-N 320.433 3.346 10 10 DGCE COc1cc(Br)cc(NCc2cccc(O)c2O)c1 168992373 LXCAXRPSDPOGCT-UHFFFAOYSA-N 324.174 3.481 10 10 DGCE Cc1cccc(O)c1CN[C@@H](C)C(C)(C)NC(=O)OC(C)(C)C 1991719764 GSVFHYGYHYTGCX-ZDUSSCGKSA-N 322.449 3.482 10 10 DGCE CCCN[C@](C)(CCCCSc1nccs1)C(=O)OC 45596450 HDOPBVQHIWXAMC-CQSZACIVSA-N 316.492 3.337 10 10 DGCE C[C@H](N)c1ccc(N(C)[C@@H]2CCCOC2)c(Br)c1 401503703 IZBJUXBSVKOUBM-CMPLNLGQSA-N 313.239 3.084 10 10 DGCE Cc1ccc([C@H](n2nc(C)c(C=O)c2N)C(C)(C)C)c(O)c1 2079110894 FSQVVWHJXGVXNX-HNNXBMFYSA-N 301.390 3.236 10 10 DGCE O=C(c1cccnc1Br)c1cccc2c1NCC2 2045557141 KGWOZTWMVNEQMY-UHFFFAOYSA-N 303.159 3.043 10 10 DGCE C[C@@H]1OCC[C@H]1CCN(C)c1cc(Cl)c(CN)cc1F 2196313243 DUWVMDBHFJQWIN-WDEREUQCSA-N 300.805 3.189 10 10 DGCE CNCc1ccc(N(C)Cc2cc(C)no2)c(Br)c1 2114173950 BHLDMFRNDXVSPC-UHFFFAOYSA-N 324.222 3.101 10 10 DGCE CC(C)NCc1cnc(Sc2nc3ncccc3o2)s1 2234021510 FIDLNODCOKTJPJ-UHFFFAOYSA-N 306.416 3.329 10 10 DGCE Nc1ccc(C[C@H](O)Cc2c(F)cccc2Br)cc1 2273857672 ZMZYVKUXCSLVDU-LBPRGKRZSA-N 324.193 3.317 10 10 DGCE Cc1ccccc1C=C1SC(=S)N(CCCC(=O)O)C1=O 2293223784 MBJMAXNUMDAXBN-UHFFFAOYSA-N 321.423 3.061 10 10 DGCE CC(C)NCc1cnc(Sc2nc3nccnc3s2)s1 2283824807 ZCVYKLSGWVHPCG-UHFFFAOYSA-N 323.472 3.192 10 10 DGCE CSc1ncc(CNC[C@H](CN)CC2CCCCC2)s1 2284720966 JTUOOSKMBJYWMT-ZDUSSCGKSA-N 313.536 3.500 10 10 DGCE Cc1cc(NCc2ccc(C)c(Br)c2O)cnn1 2327800710 NGTTZOQFLWVEBZ-UHFFFAOYSA-N 308.179 3.174 10 10 DGCE CC(C)N[C@](CO)(CSc1nccs1)CC1CCC1 2340831715 HZVDTKTWUGICOZ-CQSZACIVSA-N 300.493 3.155 10 10 DGCE Cc1csc([C@@H]2CN(Cc3cccc(Cl)c3O)CCO2)n1 179975220 GHDGZPOHJKFFTM-ZDUSSCGKSA-N 324.833 3.384 10 10 DGCE Cc1csc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)n1 117383959 ZDAYICZAUJVKHN-AWEZNQCLSA-N 317.458 3.139 10 10 DGCE COC(=O)/C=C/c1ccc(N2CC[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 301491973 OQGWNEVBOATVIW-BAEOLTKYSA-N 304.346 3.016 10 10 DGCE COc1cc(Br)cc(CN(C)CC2CCC2)c1O 127764392 OJZGLPFSEFHFGG-UHFFFAOYSA-N 314.223 3.395 10 10 DGCE CCOc1cccc(CN[C@@H](C)c2ccncc2OC)c1O 189565063 DPOCCEGMCLRIDV-LBPRGKRZSA-N 302.374 3.045 10 10 DGCE CC(C)(C(=O)NCc1cc(Br)ccc1O)C(F)F 804735792 IZMRHSHUBCQLNH-UHFFFAOYSA-N 322.149 3.062 10 10 DGCE Cc1cc(Cl)cc(CN2CC[S@](=O)C(C)(C)CC2)c1O 825025190 ZJQKTGSQEBFDCD-FQEVSTJZSA-N 315.866 3.087 10 10 DGCE COc1ccccc1-c1ccn(Cc2ccc(N)cc2)c(=O)c1 821180820 OFYOSNOEHSHOAJ-UHFFFAOYSA-N 306.365 3.154 10 10 DGCE C[C@@H](OC(=O)c1cc(O)cs1)C(=O)c1cc(F)ccc1F 732353854 BNTQZGNXVRWJFL-SSDOTTSWSA-N 312.293 3.160 10 10 DGCE Cc1cccc([C@@H](O)CNC/C=C\c2ccc(N(C)C)cc2)c1 835043879 UWAQANYVTNALOB-BPJPHKDRSA-N 310.441 3.397 10 10 DGCE COc1ccc(CN[C@@H](c2ccccc2F)[C@H](C)O)cc1C 846017017 LDJNKGBKRSUKEJ-SCLBCKFNSA-N 303.377 3.354 10 10 DGCE COc1ccc(O)c(CNC(=O)C2(C(F)(F)F)CCCC2)c1 841406665 SHOYJZADJOWNPA-UHFFFAOYSA-N 317.307 3.140 10 10 DGCE Cc1ccc([C@@H](C)NC[C@]2(CO)CCc3ccccc32)c(O)c1 846181512 ZQSDDEJNTJIBNP-QRWLVFNGSA-N 311.425 3.228 10 10 DGCE Cc1cc(O)c(CN[C@@H](CCO)Cc2ccccc2)c(Cl)c1 840942386 FTDMGESRERMGQQ-HNNXBMFYSA-N 319.832 3.437 10 10 DGCE C[C@@H](NC(=O)N[C@@H]1CC12CCCC2)c1ccc(N(C)C)cc1 759166420 JKSDGSBBDHYWKU-CZUORRHYSA-N 301.434 3.446 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@H]2CCN(C(C)(C)C)C2)cc1 850351018 JTCQYCFTRKUNFB-TUYSUELWSA-N 301.478 3.228 10 10 DGCE Cc1ccc(O)c(CNC(=O)NCC(C)(C)[C@@H]2CCCCO2)c1 858295838 JYWWGOVKAQCELS-INIZCTEOSA-N 320.433 3.095 10 10 DGCE COc1cccc([C@@H](C)N[C@@H]2COc3cccc(C)c3C2)c1O 858459942 OTRKZGGXOAOYJJ-KGLIPLIRSA-N 313.397 3.364 10 10 DGCE C=Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc1 855224657 GUKUQNKSHVTRNO-KRWDZBQOSA-N 322.408 3.347 10 10 DGCE COc1cc(N2Cc3cccc(O)c3C2)c([N+](=O)[O-])cc1C 866116632 ABWOZGPVLVBCRE-UHFFFAOYSA-N 300.314 3.138 10 10 DGCE C[C@@H]1CCC[C@H](CCNC(=O)/C=C/c2ccc(O)c(O)c2)C1 779517634 CGEAABCNJQCRLH-RTIZMKJZSA-N 303.402 3.444 10 10 DGCE O=S(=O)(C=Cc1ccc(Cl)cc1)Nc1ccc(O)cc1 1879765767 LUTFIJDHXGQEPB-UHFFFAOYSA-N 309.774 3.458 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1ccc(F)c(O)c1 1149880835 VYPSSPFLGHPSEQ-UHFFFAOYSA-N 303.333 3.289 10 10 DGCE CC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)c1ccc(N(C)C)cc1 1959567713 KMXCAGWISKROMG-HUUCEWRRSA-N 308.422 3.089 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@]1(C)CC1(C)C 1312883715 DPRWUTUKOJPVJO-AUUYWEPGSA-N 317.477 3.480 10 10 DGCE COCCN(C(=O)/C=C\c1ccc(Cl)nc1)c1ccccc1 1436261367 PPSOIYIGHHFDCJ-NTMALXAHSA-N 316.788 3.428 10 10 DGCE C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)c2ccccc2O1 1293577647 NTQQJVPINIJOLD-LLVKDONJSA-N 324.340 3.277 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2CCOCC1CCCC1 1616893330 ZGXGHLQQTYBRKA-UHFFFAOYSA-N 304.434 3.158 10 10 DGCE Cc1ccc(O)c(CNC(=O)Cc2ccc3c(c2)CCCC3)c1 1633282435 JILABJGSSCFVSL-UHFFFAOYSA-N 309.409 3.438 10 10 DGCE C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)c1cccc(O)c1O 1631953744 HVAVAACVYXSOIL-GHMZBOCLSA-N 315.344 3.385 10 10 DGCE COc1cccc(CNC(=O)c2ccc(C)c3cccnc23)c1O 1566374734 SCZQQJPUZTVUCW-UHFFFAOYSA-N 322.364 3.187 10 10 DGCE CCOC(=O)CCCCCN[C@@H](C)c1cc(OC)ccc1O 1658022890 FRPQGYGARQSAEH-ZDUSSCGKSA-N 309.406 3.175 10 10 DGCE COc1ccc(CN[C@@H](C)CNC(=O)[C@H](C)C(C)(C)C)cc1C 1662263151 PTYOCWNIKBOZGN-GJZGRUSLSA-N 320.477 3.280 10 10 DGCE CCc1cc(C)c(C(=O)N2CCOc3cc(N(C)C)ccc32)o1 163620309 HLQFYXCQFJIHFM-UHFFFAOYSA-N 314.385 3.256 10 10 DGCE COC(=O)CCCN1C(=O)S/C(=C\c2ccccc2)C1=S 1800081 XQYONHPKTRISSC-BENRWUELSA-N 321.423 3.477 10 10 DGCE CC(C)CN1N=C(c2ccccc2)/C(=C/c2cccn2C)C1=O 1865670821 SYLDEAMJEVKXSR-ATVHPVEESA-N 307.397 3.311 10 10 DGCE COc1ccccc1/C=C1/C(=O)N(Cc2ccccc2)N=C1C 1865679522 RCBZAUPAFYQXFL-SFQUDFHCSA-N 306.365 3.497 10 10 DGCE COC(=O)c1ccc2c(c1)CCN(Cc1ccc(N(C)C)cc1)C2 1203931048 MMTNGRCTJWHMRL-UHFFFAOYSA-N 324.424 3.098 10 10 DGCE NCCc1cc(N2CCc3cccc(Br)c32)ccn1 2140751763 MSWDURCIOIUDAK-UHFFFAOYSA-N 318.218 3.040 10 10 DGCE CN(C[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2)c1ccc(CN)c(Br)c1 2134498146 WIRVMUZTQGBEEJ-RSQMQNDGSA-N 321.262 3.246 10 10 DGCE NCc1ccc(N(CCCO)Cc2ccccc2)cc1Cl 1914614404 VTLXTWMSSWBYTQ-UHFFFAOYSA-N 304.821 3.188 10 10 DGCE CCCN[C@@H]1CC[C@@H](COC)C[C@@H]1Sc1nccs1 1918882067 QUBXXATZJNAMEN-UPJWGTAASA-N 300.493 3.419 10 10 DGCE C[C@H](CCNC(=O)OC(C)(C)C)C[C@@H](N)c1ccccc1O 1928468374 VSMOLKUYYPFBBL-TZMCWYRMSA-N 308.422 3.333 10 10 DGCE CN1C(=O)[C@@H](N)c2ccc(N(Cc3ccccc3)CC3CC3)cc21 1946900761 VKMUWEREWWHGCC-IBGZPJMESA-N 321.424 3.079 10 10 DGCE CC1(C)[C@H](NCc2c(O)cccc2Br)C1(F)F 1948209589 NRDHDEIXNZFMSD-JTQLQIEISA-N 306.150 3.288 10 10 DGCE CC(C)SC1CN(c2ccc(CO)cc2Br)C1 1948314464 LSJHYXZATBCFEF-UHFFFAOYSA-N 316.264 3.272 10 10 DGCE CC(C)(C)OC(=O)N1CCO[C@H](CCCc2ccc(N)cc2)C1 1952455284 AKUXFLAAKFWNIY-MRXNPFEDSA-N 320.433 3.227 10 10 DGCE C[C@H](NC[C@@H]1C=CCN1C(=O)OC(C)(C)C)c1ccccc1O 1992540110 LGLVQTHIHXQKOQ-KBPBESRZSA-N 318.417 3.218 10 10 DGCE OCc1ccc(N2CC(SC(F)F)C2)cc1Br 2019936251 NXPIURDRIIIIMT-UHFFFAOYSA-N 324.190 3.086 10 10 DGCE Nc1cccc(Br)c1N[C@@H]1CC[C@@H]2OCC[C@@H]2C1 2033062571 AREHYDBXOWTIAP-BREBYQMCSA-N 311.223 3.401 10 10 DGCE CC[C@@H]1C[C@H](N(C)Cc2cc(Br)ccc2O)CO1 688539198 YERONANLBPQMBA-QWHCGFSZSA-N 314.223 3.154 10 10 DGCE CN(Cc1cc(Br)cc(F)c1O)CC(C)(F)F 715814787 LOWSJNUCJCSUPB-UHFFFAOYSA-N 312.129 3.381 10 10 DGCE CC(C)N[C@@]1(C(=O)O)C[C@H](C)C[C@@H](Sc2nccs2)C1 2175482199 CQXYNNPFGHPNIS-GYSYKLTISA-N 314.476 3.245 10 10 DGCE Cc1cnn(Cc2cc(Br)ccc2O)c1Cl 2070320860 BSMHSFQVMNAQMD-UHFFFAOYSA-N 301.571 3.361 10 10 DGCE CCNCc1ccc(N2CCSCC(F)(F)C2)c(F)c1 2193331575 AVYKQTVTKZYMEQ-UHFFFAOYSA-N 304.381 3.124 10 10 DGCE CO[C@]1(CN(C)c2ccc([C@@H](C)N)c(Cl)c2)CCSC1 2186278633 TVKPCGHGWNQTLD-ABAIWWIYSA-N 314.882 3.318 10 10 DGCE CC[C@H](NCc1ncco1)c1cc(Br)ccc1O 2066302167 NMRJJPLNDKCGSQ-NSHDSACASA-N 311.179 3.384 10 10 DGCE CN[C@H](c1ccccc1O)[C@]1(C)C=CCN1C(=O)OC(C)(C)C 2211738988 JFKNXIDPTPPCQC-QAPCUYQASA-N 318.417 3.218 10 10 DGCE C[C@@H]1c2cccn2CCN1c1ccc(CN)cc1Br 2114543451 DWTLHLPGUZHTNT-LLVKDONJSA-N 320.234 3.291 10 10 DGCE CN(CCOC(F)F)c1ccc(C=CC(=O)O)c(Cl)c1 2202942158 LFXFTUCNSHKNKH-UHFFFAOYSA-N 305.708 3.113 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)c1sccc1Br 2213586372 WOAGLDTVDZKBOE-HTQZYQBOSA-N 315.196 3.472 10 10 DGCE Oc1c(Br)cccc1CNC[C@H](F)C1CCC1 2215288386 HVAULMOOGNFWTK-LBPRGKRZSA-N 302.187 3.383 10 10 DGCE CN(Cc1ccc(N)cc1)c1cc(N)cc(Br)c1 2218876971 HRNDAHYPTYQZNH-UHFFFAOYSA-N 306.207 3.250 10 10 DGCE CSc1ncc(CNCCC2(CO)CCCCC2)s1 2269311436 KKUFGIPDAPKOSF-UHFFFAOYSA-N 300.493 3.288 10 10 DGCE COC(=O)c1ccc(N=Nc2cc(C=O)c(O)c(OC)c2)cc1 1081393607 BBPLILFHMRMBPM-UHFFFAOYSA-N 314.297 3.415 10 10 DGCE COc1cccc(CNC(=O)C(C)=Cc2ccc(C)cc2)c1O 2307787487 USPAHFDSVJKDEE-UHFFFAOYSA-N 311.381 3.429 10 10 DGCE CCOc1cc(C=C2SC(=S)N(C3CC3)C2=O)ccc1O 2323854769 YODIVOYBLYVTTP-UHFFFAOYSA-N 321.423 3.155 10 10 DGCE Nc1ccc(CC(=O)N[C@H]2CCCC[C@H]2C(F)(F)F)cc1 37044274 QHQYNKGQHPAODU-OLZOCXBDSA-N 300.324 3.049 10 10 DGCE CCCN(CCC)c1c(F)cc(CNCCOC)cc1F 62734471 ZHBIWWZZULLYNC-UHFFFAOYSA-N 300.393 3.327 10 10 DGCE COCCNCc1ccc(N(C)Cc2cccs2)c(C)c1 62735729 QYMOHSSDGPESKN-UHFFFAOYSA-N 304.459 3.429 10 10 DGCE CC[C@@H](N[C@@H](C)Cc1cc(C)[nH]n1)c1ccc(N(C)C)cc1 90531754 SWHJLBPXJTUKEC-SCLBCKFNSA-N 300.450 3.456 10 10 DGCE O=C(O)[C@@]1(NC2CC2)CCC[C@@H]1CCSc1nccs1 93629937 JJAFIHWTNUXHRH-QMTHXVAHSA-N 312.460 3.001 10 10 DGCE Cc1cc(O)ccc1NS(=O)(=O)C[C@H](C)c1ccccc1 149449464 GLGIPRIWCKCHPL-ZDUSSCGKSA-N 305.399 3.246 10 10 DGCE O=C(CC[C@H]1CCCOC1)NCc1ccc(N2CCCC2)cc1 175279898 KDSUQOADGOGEMU-QGZVFWFLSA-N 316.445 3.110 10 10 DGCE CCOc1ccccc1CN(C)C(=O)c1ccc(C)c(O)c1O 177673784 MTKLVFLYVHEYIS-UHFFFAOYSA-N 315.369 3.077 10 10 DGCE Cc1ccc(Cl)cc1C(=O)Nc1ccc(O)cc1C(=O)O 212772997 MYZJQEPTFQIZIC-UHFFFAOYSA-N 305.717 3.305 10 10 DGCE CC[C@H]1COCCN1c1ccc([C@@H](C)N)c(Br)c1 234099071 NADJOVHPEGIWRY-MNOVXSKESA-N 313.239 3.084 10 10 DGCE CN1CCCc2cc(CNC(=O)c3ccoc3C3CC3)ccc21 281770881 GEFNALQPJJPGAT-UHFFFAOYSA-N 310.397 3.469 10 10 DGCE Cc1cc(C)c([C@H](C)NCc2ccc(CO)c(F)c2)c(O)c1 285321016 TVWUPUNJNWIXPT-ZDUSSCGKSA-N 303.377 3.491 10 10 DGCE Nc1ccc(NC(=O)O[C@H]2CCN(Cc3ccccc3)C2)cc1 302977123 OKTRDNILOOATBZ-KRWDZBQOSA-N 311.385 3.092 10 10 DGCE C[C@@H](NCC1(O)Cc2ccccc2C1)c1cc(Cl)ccc1O 363871066 ZRKZCRPWQIMEQT-GFCCVEGCSA-N 317.816 3.226 10 10 DGCE c1cc(N2CCCC2)ccc1[C@H](CC1CC1)N1CCOCC1 575293880 IRVDCQNRVODRLK-IBGZPJMESA-N 300.446 3.460 10 10 DGCE CO[C@@H]1CN(Cc2ccc(Br)cc2O)CC[C@H]1C 691679494 SEFGXKSTJGWWJK-QMTHXVAHSA-N 314.223 3.012 10 10 DGCE Cc1cc(Br)cc(CN2CCO[C@@H](C)CC2)c1O 720497663 WCKJZZAUXIYCND-NSHDSACASA-N 314.223 3.074 10 10 DGCE O=[N+]([O-])c1ccc(O)c(CN[C@@H]2C[C@@]2(F)c2ccccc2)c1 818230259 OXLKQMOHEOUWOH-HZPDHXFCSA-N 302.305 3.027 10 10 DGCE COc1ccc(N2CC[C@@H](CNC(=O)[C@@H](C)CC(C)C)C2)cc1 819589002 PTHQSSBJDWHDAS-HOTGVXAUSA-N 318.461 3.320 10 10 DGCE COc1ccc(N2CC[C@H](NCC3Cc4ccccc4C3)C2)cc1 826846569 WEBBQDCPDORAMW-IBGZPJMESA-N 322.452 3.279 10 10 DGCE CO[C@@H](C(=O)NCc1c(O)ccc2c1CCCC2)C1CCCC1 830559525 QDAVEWIJWTXBTR-GOSISDBHSA-N 317.429 3.092 10 10 DGCE Cc1cc(C)cc([C@H]2CCN(C(=O)Cc3ccc(N)cc3)C2)c1 832152564 RJSSNASQWSMLJZ-KRWDZBQOSA-N 308.425 3.444 10 10 DGCE CCCN1CC[C@H](CNC/C=C/c2ccc(N(C)C)cc2)C1 835034563 BLNSVELDHAVOJA-DUMMIQTOSA-N 301.478 3.087 10 10 DGCE C[C@@]1(c2ccccc2)CCN(C(=O)NCCc2ccc(N)cc2)C1 841957185 GIICQIVMOJSACH-HXUWFJFHSA-N 323.440 3.185 10 10 DGCE CN(Cc1cc2c(cc1O)CCC2)C[C@]1(O)CCc2ccccc21 842623276 LHSGKHBVLRDHGC-OAQYLSRUSA-N 323.436 3.147 10 10 DGCE Cc1cc(N(C)C)ccc1CN[C@H](C)c1cc2n(n1)CCCC2 842842679 ZTJLREAJUXDQSQ-OAHLLOKOSA-N 312.461 3.445 10 10 DGCE COc1c([N+](=O)[O-])ccc(CN2CCCC[C@H]2C2CCC2)c1O 843437535 KGRNAHGZCKUDTH-AWEZNQCLSA-N 320.389 3.464 10 10 DGCE COc1cc(Br)cc([C@H](C)NC[C@@H]2C[C@@H]2C)c1O 848526954 MXEVIKPKYFJZPP-GUBZILKMSA-N 314.223 3.470 10 10 DGCE CC[C@@H](NC[C@@H]1CN(C2CC2)C(=O)O1)c1cccc(Cl)c1O 848574321 RTWRPKBDGUCXDE-BXUZGUMPSA-N 324.808 3.070 10 10 DGCE CCc1cccc(CNCc2cccc(OCCOC)c2)c1O 848893246 AEQYZWJISURUEP-UHFFFAOYSA-N 315.413 3.270 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)C(C)(C)C)C2)cc1 855232905 ZKXIFJNRDQSQSX-ZIAGYGMSSA-N 304.434 3.072 10 10 DGCE CC(=O)c1cc(F)cc(CN2[C@H]3CC[C@H]2CC(F)(F)C3)c1O 859433936 LUMJNXAZQHVURQ-STQMWFEESA-N 313.319 3.496 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCc3nc[nH]c3C23CCC3)cc1 895069131 RDRCMWDNCKFCQW-HWKANZROSA-N 322.456 3.426 10 10 DGCE Cc1cc(NC(=O)NCc2c(O)cccc2F)n(C(C)(C)C)n1 902945636 UOFPEDOTSWOZLM-UHFFFAOYSA-N 320.368 3.113 10 10 DGCE CCc1noc([C@@H]2CC[C@@H](N[C@H](C)c3c(O)cccc3F)C2)n1 927054522 VRTCQNVMNZDFPB-IJLUTSLNSA-N 319.380 3.464 10 10 DGCE c1cc(N2CCCC2)ccc1CN1CCCC[C@@]2(CCNC2)C1 1119610861 IJHJXAORXUUVLL-FQEVSTJZSA-N 313.489 3.252 10 10 DGCE COc1nc2ccc(NC(=O)c3cc(O)cs3)cc2s1 1139214855 QCHHLFLRJURTKB-UHFFFAOYSA-N 306.368 3.324 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)c2cc(Cl)ncc2F)c1 1294938181 XHUYSNRTCWTODL-QMMMGPOBSA-N 324.739 3.079 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)Nc2cnc3c(c2)CCCC3)cc1 1296310756 WTRAZEZNFIYDAF-UHFFFAOYSA-N 323.356 3.375 10 10 DGCE C[C@@H](CC(=O)NCc1ccc(O)cc1O)c1c[nH]c2ccccc12 1469160813 UGRQQMIHNJTWIG-LBPRGKRZSA-N 324.380 3.389 10 10 DGCE CCC(=O)N(C)CC[C@H](NCc1ccc(OC)c(C)c1)C(C)C 1485428436 ZWVOVWQTOVVWRR-KRWDZBQOSA-N 320.477 3.376 10 10 DGCE COc1ccc(N(C)CC(=O)N(C)CC2CCCCC2)cc1 1559969607 KPUQTOYNCGOPHB-UHFFFAOYSA-N 304.434 3.170 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)/C(C)=C/c2ccco2)c1 1566374911 YKHWANBKXLIYCF-LMMOQWNQSA-N 301.342 3.275 10 10 DGCE C[C@H](NCC(=O)Nc1cccc(Cl)c1)c1ccccc1O 1620505297 VUJIUMBDFGAAIH-NSHDSACASA-N 304.777 3.335 10 10 DGCE Cc1ccc(/C=C2/SC(=S)N(C(C)(C)C(=O)O)C2=O)cc1 1858594435 ZEVLJUNLTMRPPR-DHZHZOJOSA-N 321.423 3.059 10 10 DGCE CN1C(=O)COc2cc(NN=NCc3ccc(F)cc3)ccc21 1860494088 PPOVBIMVBNSXHT-UHFFFAOYSA-N 314.320 3.160 10 10 DGCE Nc1ccc(NC(=O)c2cccc(NC(=O)C(F)(F)F)c2)cc1 1866034061 CBINAUPHXVQZIN-UHFFFAOYSA-N 323.274 3.022 10 10 DGCE Cc1cccc(C(=O)NCc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)n1 1889952087 NUIYMYLEVGACEV-WMZOPIPTSA-N 321.424 3.309 10 10 DGCE C[C@@H]1C[C@H]1CCNCc1cc(Br)cc(F)c1O 1909576519 RTXOWUKGXSPBKP-RKDXNWHRSA-N 302.187 3.430 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)c2cc(Cl)ncc2Cl)C1 1912181152 KNMYRVLBZAHBDQ-ZETCQYMHSA-N 300.149 3.161 10 10 DGCE C[C@@H](NCc1cc(Br)cc(F)c1O)C1(F)CC1 1922342860 QAWRTWBMVXIZLV-SSDOTTSWSA-N 306.150 3.274 10 10 DGCE CCC[C@H](C[C@H](N)c1ccccc1O)NC(=O)OC(C)(C)C 1928469464 IJSIADFZUUAFLO-OCCSQVGLSA-N 308.422 3.476 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H]1CN(CCN=[N+]=[N-])C1CC1 1962302587 ALOVJVAEYPFDPZ-ZDUSSCGKSA-N 309.414 3.161 10 10 DGCE CC(C)CN(CCCN=[N+]=[N-])C1CN(C(=O)OC(C)(C)C)C1 1962304800 OWSVEXKIIKVKBH-UHFFFAOYSA-N 311.430 3.264 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N(c2ccc(N)cc2)C1 1977954195 YZEQJMKSULTVNV-KGLIPLIRSA-N 319.449 3.351 10 10 DGCE C[C@@H](NC(=O)CCCNCc1ccccc1)c1ccccc1O 1989696416 MRHGEFOLDZKMQB-OAHLLOKOSA-N 312.413 3.139 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN(C[C@@]2(Br)CC2(F)F)C1 2023773962 IHQVZQUTRJOBHZ-BDAKNGLRSA-N 309.158 3.181 10 10 DGCE C[C@H]1CCOC[C@@H]1N(C)Cc1ccc(Br)cc1O 2035126822 BARRHNYXTOWVTB-GWCFXTLKSA-N 314.223 3.012 10 10 DGCE CC(C)Cc1cc(C(=O)O)n([C@@H](C)c2ccc(F)cc2O)n1 2069876411 WXDBYJWFXAWQQO-JTQLQIEISA-N 306.337 3.234 10 10 DGCE [N-]=[N+]=NC[C@H]1CCN(C(=O)c2nc(Cl)sc2Cl)C1 2078399274 NMRAFGSLWWNDHL-RXMQYKEDSA-N 306.178 3.222 10 10 DGCE Cc1ccc(Cn2nc(CN(C)C)cc2C(F)(F)F)c(O)c1 2079155646 CUXSGENATIDLGG-UHFFFAOYSA-N 313.323 3.026 10 10 DGCE CN[C@@H](c1ccccc1O)[C@@H](O)c1ccccc1Br 2091864102 RFYUKQOQQPDNDO-GJZGRUSLSA-N 322.202 3.149 10 10 DGCE CC[C@@H](C)C[C@@](CO)(CSc1nccs1)NC(C)C 2142624288 ORLANNCQYXLRNO-TZMCWYRMSA-N 302.509 3.401 10 10 DGCE Oc1c(Cl)cccc1CNc1cnn(CC(F)(F)F)c1 2169395942 BNFUBVIQYAOZAX-UHFFFAOYSA-N 305.687 3.417 10 10 DGCE CCC1(CC)CN(c2cc(Cl)c(CN)cc2F)CCO1 2177379032 WPTLSDTYIANANM-UHFFFAOYSA-N 300.805 3.333 10 10 DGCE CC[C@H]1CN(c2cc(Cl)c(CN)cc2F)[C@@H](CC)CO1 2177381716 QDRHPPIOKAVHRG-RYUDHWBXSA-N 300.805 3.332 10 10 DGCE CNCc1cc(F)c(N(C)[C@H]2CCCS[C@H]2C)c(F)c1 2197305011 IIAAXRPLTFVPQF-HZMBPMFUSA-N 300.418 3.405 10 10 DGCE Cc1cnc(NCc2ccc(C)c(Br)c2O)cc1N 2352945093 QPOWBEKRVKJZAP-UHFFFAOYSA-N 322.206 3.361 10 10 DGCE c1cc(N2CCCCC2)ccc1CN1CCCN(C2CC2)CC1 179728352 JWPRDOKHGQIJOB-UHFFFAOYSA-N 313.489 3.347 10 10 DGCE CCCN(c1ccc(N)cc1)S(=O)(=O)c1ccc(F)cc1 63115504 WCHIQHVZEHEYMB-UHFFFAOYSA-N 308.378 3.013 10 10 DGCE CC(C)[C@H](C)CNC(=O)NCc1ccc(N2CC=CC2)cc1 172704757 SUFQTOJQSKKXAZ-OAHLLOKOSA-N 301.434 3.154 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)NCCC2=CCCC2)c1 126120124 WYJIBGQWYHSZCZ-LBPRGKRZSA-N 304.390 3.261 10 10 DGCE Cc1cc(C(=O)N2CCCC[C@H]2CN)c(C)n1-c1ccccc1 237685150 ODTGJWBZZPTVKX-KRWDZBQOSA-N 311.429 3.048 10 10 DGCE C[C@H](c1ccccc1)N(CC(N)=O)Cc1cc(Cl)ccc1O 93734333 YKLBWRDXSOKTIS-GFCCVEGCSA-N 318.804 3.094 10 10 DGCE O=C(NCc1cc(Br)ccc1O)c1ccccc1 804738679 ZKHCJHKLJONTNC-UHFFFAOYSA-N 306.159 3.085 10 10 DGCE Oc1cc2c(cc1CN[C@@H]1Cc3ccc(Cl)cc3C1)OCO2 800286613 NPAKBVZJQJDTRW-CQSZACIVSA-N 317.772 3.031 10 10 DGCE Cc1cc(Cl)cc([C@H](C)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c1O 808706552 MRSOKLBOHNJPGW-GVAXYQGFSA-N 322.836 3.014 10 10 DGCE COC(=O)/C=C\c1ccc(N2CCC(C)(C)CC2)c([N+](=O)[O-])c1 726968799 DHAPTOPQKMBTLC-ALCCZGGFSA-N 318.373 3.407 10 10 DGCE COC(=O)/C=C\c1ccc(N2CCC[C@@H]2C2CC2)c([N+](=O)[O-])c1 728566513 HQDSOKVUAKSTPL-VYLZPFMQSA-N 316.357 3.160 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H]1CO[C@@H](C2CC2)C1 826123993 YASBWKRFEZRXJS-UCLAIMLFSA-N 302.462 3.149 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)c1cncc(Cl)c1 826137371 QEDYQBYKFSAUAN-UHFFFAOYSA-N 316.788 3.249 10 10 DGCE CC(C)(CNC(=O)NCCc1ccc(N)cc1)CC(F)(F)F 831102999 BJBAMVKZUSJSFI-UHFFFAOYSA-N 317.355 3.089 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1C[C@@H]1c1ccccc1 734527117 ZVHPKMQVVSVSRQ-MOPGFXCFSA-N 323.440 3.416 10 10 DGCE CCCN(CCC)c1ccc(/C=C2\SC(=N)NC2=O)cc1 733781075 JRGBLROCVNKWCN-KAMYIIQDSA-N 303.431 3.452 10 10 DGCE CCN(CC)c1ccc(CNC2(CO)Cc3ccccc3C2)cc1 734845750 DVFVDRFRVYDQSR-UHFFFAOYSA-N 324.468 3.152 10 10 DGCE CC12C[C@@H]3C[C@H](C1)CC(C(=O)NCc1ccc(O)cc1O)(C3)C2 910957166 KWZCXTQVQNTWJV-NFAYLAGKSA-N 315.413 3.321 10 10 DGCE C[C@H](CNCc1cc(Cl)cc([N+](=O)[O-])c1O)c1ccncc1 749294431 GXEJFEZNBCSYQB-SNVBAGLBSA-N 321.764 3.242 10 10 DGCE C[C@H]1Cc2ccccc2[C@H]1NC(=O)NCCc1ccc(N)cc1 841809514 ZWYZSNVEYIFMKA-UGSOOPFHSA-N 309.413 3.044 10 10 DGCE CC[C@H](NCC[C@@H](N(C)C)C(F)(F)F)c1ccc(F)cc1O 926963144 MNXFMVFQRRQRKP-GXTWGEPZSA-N 322.346 3.455 10 10 DGCE O=C(O)/C=C\c1ccc(N2CCC[C@H](CCF)C2)c([N+](=O)[O-])c1 849348689 VFAXNWAAPRHKQR-RYWCDNDXSA-N 322.336 3.269 10 10 DGCE COc1cccc2c1N(C(=O)/C(C)=C/c1cccnc1)CCC2 846813292 ZMGUHVAUVLDKRB-WYMLVPIESA-N 308.381 3.473 10 10 DGCE COC(=O)c1sccc1CN1CCCc2cc(OC)ccc21 755891127 WKJYHZIEOIWBJD-UHFFFAOYSA-N 317.410 3.496 10 10 DGCE C[C@H](NC(=O)NC[C@H]1CCCC2(CCC2)O1)c1ccccc1O 927174314 LGMITBJIZVZZQF-UONOGXRCSA-N 318.417 3.244 10 10 DGCE CC[C@@](C)(NCc1ccc(N2CCN(C)CC2)cc1)C1CC1 850383270 DEDYLWKKKUBGGO-LJQANCHMSA-N 301.478 3.107 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCC2(C)C)cc1 855020486 QJISCUYUHYSYNT-INIZCTEOSA-N 304.434 3.026 10 10 DGCE COc1ccc(N2CCN(CC3C[C@@H]4[C@@H](C3)C4(F)F)CC2)cc1 929152868 HGGUPNBNIBKTRA-IAGOWNOFSA-N 322.399 3.109 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1C[C@H](O)C12CCC2 850388771 PLOUBMFZSWKFLU-NEPJUHHUSA-N 302.201 3.092 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)c3ccsc3C)C2)cc1 855226329 RDQRRRPXGFOCDG-CYBMUJFWSA-N 316.426 3.074 10 10 DGCE C[C@H](NC(=O)C1CC2(CSC2)C1)c1ccc(N(C)C)cc1 867503930 QOYXPYJHUSTVCD-LBPRGKRZSA-N 304.459 3.073 10 10 DGCE COc1ccc(CNC(=O)N[C@H](C)[C@@]23CCCC[C@H]2C3)c(O)c1 868939409 SSCOSAYBDDYOEV-IAISJRAMSA-N 318.417 3.169 10 10 DGCE COc1ccc(CCNC(=O)c2cc(O)cs2)c(Cl)c1 761590006 CJGRHZCFQZDURB-UHFFFAOYSA-N 311.790 3.088 10 10 DGCE CN(C)c1ccc(CN2CCC[C@H]([C@@H]3CCOC3)C2)cc1F 770374992 PMYCBBQNBZIEDN-JKSUJKDBSA-N 306.425 3.140 10 10 DGCE C[C@@]1(CNCc2c(O)cccc2Br)CCCCO1 1560606368 PVLSKVDEADZXNO-AWEZNQCLSA-N 314.223 3.204 10 10 DGCE O=C(NCc1cc(O)ccc1O)c1occc1-c1ccccc1 1153879803 YDHZJHFPKCAORA-UHFFFAOYSA-N 309.321 3.288 10 10 DGCE O=C(CCc1c[nH]c2ccccc12)NCc1c(O)cccc1F 1178410079 LIDWRUYTIOXDCN-UHFFFAOYSA-N 312.344 3.262 10 10 DGCE CCC[C@H](CCO)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 1171528952 RLECKUQQNKFVGE-QGZVFWFLSA-N 314.429 3.375 10 10 DGCE CO[C@@H]1CC[C@@H](C)N(Cc2cc(Br)ccc2O)C1 687214827 ASVPLSNAARPUDW-ZWNOBZJWSA-N 314.223 3.154 10 10 DGCE Cc1ccc(/C=C/C(=O)N2CCOc3c(F)ccc(F)c32)cn1 1278345339 PCTCRSTVYIRKFA-QPJJXVBHSA-N 316.307 3.107 10 10 DGCE Cc1cc(F)c(CC(=O)N[C@@H](C)c2ccccc2O)cc1F 1454819100 OVZFGDBWYQQPRR-NSHDSACASA-N 305.324 3.399 10 10 DGCE C[C@H](NC(=O)c1ccc(P(C)(C)=O)cc1)c1ccccc1O 1471198221 GPTKCRSDQXQOAM-LBPRGKRZSA-N 317.325 3.131 10 10 DGCE CCN(C[C@@H]1C[C@@H]2CCC[C@H]2O1)c1ccc(OC)c(OC)c1 1559642226 HEJDMZCBMXUCDL-CWRNSKLLSA-N 305.418 3.488 10 10 DGCE Cc1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)c(O)c1C 1631322962 UYJUHWMTDNWEMK-UHFFFAOYSA-N 324.424 3.321 10 10 DGCE Cc1ccc(C(=O)NCc2cc(C3CC3)ccc2F)c(O)c1O 1636499756 GERFJBABYSMTKE-UHFFFAOYSA-N 315.344 3.353 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)C[C@@H]1CCCC[C@H]1O 1635113043 AADWCWBVURDIGT-DOTOQJQBSA-N 319.445 3.462 10 10 DGCE COc1cccc(CNC(=O)c2coc3c(C)cccc23)c1O 1636061468 OARSMFJKNUMTLR-UHFFFAOYSA-N 311.337 3.385 10 10 DGCE [N-]=[N+]=NC[C@H]1CCN(C(=O)c2cccn2Cc2ccccc2)C1 1912161311 HXOHZZXLZUROFL-OAHLLOKOSA-N 309.373 3.309 10 10 DGCE CN(CCN=[N+]=[N-])C(=O)Cc1csc(-c2cccs2)n1 1912173118 YZHWCYSHOLFVRC-UHFFFAOYSA-N 307.404 3.183 10 10 DGCE CCCC[C@H](N)C(=O)Nc1ccc(Cc2ccc(N)cc2)cc1 1866019380 IMBBRXPVBGDRAX-SFHVURJKSA-N 311.429 3.316 10 10 DGCE CCc1cccc(C)c1NC(=O)CNCc1cc(C)ccc1O 1857857856 PVJFKQJDEOKHDA-UHFFFAOYSA-N 312.413 3.300 10 10 DGCE Cc1cc(N(Cc2ccccc2)[C@@H](CO)C2CC2)ccc1CO 1915278455 RKSUTSSAPUYIKU-FQEVSTJZSA-N 311.425 3.265 10 10 DGCE Cc1cc(N(C)Cc2cnn(Cc3ccccc3)c2)ccc1CO 1915012466 QEMRAXIRUOEULC-UHFFFAOYSA-N 321.424 3.369 10 10 DGCE Cc1cccc(O)c1CNCCN(C(=O)OC(C)(C)C)C1CC1 1976876152 USRKDXBVWHWLTC-UHFFFAOYSA-N 320.433 3.190 10 10 DGCE C[C@@H]1CCN(C(=O)OC(C)(C)C)CCN1Cc1ccc(N)cc1 1977921077 QRACHBZIAWOYHD-CQSZACIVSA-N 319.449 3.100 10 10 DGCE CN(C)c1ccc([C@H](N)CC2CN(C(=O)OC(C)(C)C)C2)cc1 1977944547 HNAPGBXJVSEGAM-MRXNPFEDSA-N 319.449 3.009 10 10 DGCE O=[N+]([O-])c1nc(Br)ccc1NCc1ccccc1O 381894322 QMQBZPNWOAGRJL-UHFFFAOYSA-N 324.134 3.070 10 10 DGCE Oc1cc(Br)ccc1CNCCCOC1CCC1 717333424 UZPDWWAJZACPTA-UHFFFAOYSA-N 314.223 3.204 10 10 DGCE C[C@@H](C(=O)Nc1ccc(O)c(O)c1)[C@@H]1OCCc2sccc21 2062404080 HPZOWSLKSBBZMA-PSLIRLAXSA-N 319.382 3.048 10 10 DGCE COc1cccc(Cn2nc(C3CC3)c(C3CCC3)c2N)c1O 2079788659 CZYOESDVMURPBN-UHFFFAOYSA-N 313.401 3.373 10 10 DGCE COc1ccc([C@H](C(C)C)n2nc(C)c(N)c2Cl)c(O)c1 2079976975 GBAFUJKRJZGRLG-AWEZNQCLSA-N 309.797 3.387 10 10 DGCE C[C@H](N[C@H]1CS[C@H](C(F)(F)F)C1)c1c(O)cccc1O 2189225806 YEALAGXJFAFMID-RNSXUZJQSA-N 307.337 3.185 10 10 DGCE C[C@H]1OCC[C@H]1CN(C)Cc1ccc(Br)cc1O 2057475517 OPZSBOLBPLJGBO-MNOVXSKESA-N 314.223 3.012 10 10 DGCE COc1ccc(N(C)Cc2cc(Br)ccn2)cc1 2219114107 TWEMKWRNRSQRIY-UHFFFAOYSA-N 307.191 3.489 10 10 DGCE O=C1C(=Cc2cccnc2)SC(=S)N1[C@@H]1C[C@H]2CC[C@H]1C2 2296522370 NIWLMFXDLWALFU-WCFLWFBJSA-N 316.451 3.471 10 10 DGCE CN1CCC(N(C)N=Nc2ccc(Br)cc2)CC1 2330209823 QZOUZFZXZFCZFQ-UHFFFAOYSA-N 311.227 3.474 10 10 DGCE Cc1ccc(CNC[C@@H]2CCC=CO2)c(O)c1Br 2327621032 JDAPTGKTJHVMMI-LBPRGKRZSA-N 312.207 3.245 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)Cc2ccccc2)c1 112115277 VQOPVUWWIQNAGJ-ZIAGYGMSSA-N 313.397 3.457 10 10 DGCE Cc1cc(CCNC(=O)[C@H]2C[C@@H]2F)c(C)n1-c1ccccc1 1438176279 DOOHLKMUNZXHHR-IRXDYDNUSA-N 300.377 3.111 10 10 DGCE C[C@@H](N[C@H](CN(C)C)c1ccccc1)c1cc(F)ccc1O 176981379 NJTVFJJHXQXRBT-CXAGYDPISA-N 302.393 3.485 10 10 DGCE O=Cc1sc2cccc(I)c2c1O 306869130 ROXXKSZOVKKRSU-UHFFFAOYSA-N 304.108 3.024 10 10 DGCE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@H]1CC=CCC1 121612617 ZNNICILFFYIHCA-AWEZNQCLSA-N 309.369 3.337 10 10 DGCE CCc1nccn1[C@@H]1CCCN(Cc2cc(F)ccc2O)C1 180120393 LDYNGTXGDTWPBM-OAHLLOKOSA-N 303.381 3.127 10 10 DGCE CSc1ncc(Cn2cncc2C2(N)CCCCC2)s1 2367183482 COTKQQWCFHLYAE-UHFFFAOYSA-N 308.476 3.228 10 10 DGCE C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1ccncc1 47902755 YNGZLACMLZYHFX-OAHLLOKOSA-N 324.428 3.242 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1NCc1cc(F)ccc1O 232494474 IGYHGSZLJRXEJK-ZIAGYGMSSA-N 324.396 3.067 10 10 DGCE N[C@@H](CC(F)(F)F)c1cc(F)cc(Br)c1O 95706848 NBEINULZIVWSAY-ZETCQYMHSA-N 302.065 3.246 10 10 DGCE COc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1 96314348 XZKROGLETPQSCU-UHFFFAOYSA-N 306.406 3.061 10 10 DGCE CC(=O)N(C(=S)Nc1cccc(F)c1)c1ccc(N)cc1 244290304 WVGLOOPHSRWVBC-UHFFFAOYSA-N 303.362 3.158 10 10 DGCE C[C@H](Cn1cncn1)N[C@H](C)c1ccc(Cl)c(Cl)c1O 273551130 FXRMHHNTEPEYLW-RKDXNWHRSA-N 315.204 3.030 10 10 DGCE CCOc1ccc(O)c(CNCC[C@@H](O)c2ccccc2)c1 289176337 AAKHEHAIBZSIAO-GOSISDBHSA-N 301.386 3.004 10 10 DGCE O=C([C@H]1C[C@@H]1C(F)F)N(Cc1ccco1)Cc1ccccc1O 801168572 GYGCREUVYDTMHL-KBPBESRZSA-N 321.323 3.415 10 10 DGCE Cc1cc([C@@H](NN)c2ccc3c(c2)CCN3C)sc1Cl 2165333013 JEXACRFQEROVSC-AWEZNQCLSA-N 307.850 3.255 10 10 DGCE CC[C@@H](NCc1ccc(N(CC)CC)c(F)c1)[C@H](O)C(F)F 824635027 DWYNPTPOGVZDRT-HIFRSBDPSA-N 318.383 3.166 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCC[C@@H](c3nccn3C)C2)cc1 835048025 DRHDQWLSVNRUGL-MJICGBHWSA-N 324.472 3.379 10 10 DGCE Oc1cccc(Cl)c1CNCc1nccn1CC(F)(F)F 733326878 ILNIITBJJIYHHU-UHFFFAOYSA-N 319.714 3.094 10 10 DGCE C[C@H](NCc1cc(Cl)cc([N+](=O)[O-])c1O)c1cccnc1 731041134 TVLUMBCRONKDPC-VIFPVBQESA-N 307.737 3.200 10 10 DGCE OCC1(CCNCc2cc(Cl)cc(Cl)c2O)CCC1 846102568 ODHHONYGRMDVGE-UHFFFAOYSA-N 304.217 3.341 10 10 DGCE COC(=O)/C=C\c1ccc(N2CCCC2(C)C)c([N+](=O)[O-])c1 742400452 AMWPXFOVVDJQEH-VURMDHGXSA-N 304.346 3.160 10 10 DGCE CN(C)c1ccc(CNc2ccc([C@@H]3CNCCO3)cc2)cc1 849351927 FUSXQGDKRNTLJB-IBGZPJMESA-N 311.429 3.026 10 10 DGCE COc1ccc(N2CC[C@H](N[C@H](C)c3nccs3)C2)cc1 850489258 SFYUASBAFQTKKX-OLZOCXBDSA-N 303.431 3.081 10 10 DGCE Cc1ccc([C@@H](C)NC[C@@H]2COc3ccccc3O2)c(O)c1C 756353466 ZQACBUGPNHCILA-HUUCEWRRSA-N 313.397 3.500 10 10 DGCE CN(Cc1ccc(N2CCOCC2)cc1)OCc1ccccc1 930074832 JCCCIBMPTPOEJU-UHFFFAOYSA-N 312.413 3.087 10 10 DGCE O=[N+]([O-])c1cc2c(nc1N1Cc3cccc(O)c3C1)CCCC2 866117150 GUEUJMJTQMOOMS-UHFFFAOYSA-N 311.341 3.094 10 10 DGCE CCn1nc(C)cc1NC(=O)c1cc(C)n(-c2ccccn2)c1C 863378125 XEQOCILAECJYEO-UHFFFAOYSA-N 323.400 3.266 10 10 DGCE C[C@H](NC(=O)N1CC[C@@H](C)[C@@H](F)C1)c1ccc(N(C)C)cc1 773616379 JUYDCYOSXOEWSS-WWGRRREGSA-N 307.413 3.203 10 10 DGCE Cc1ccc(Br)c(NC(=O)Nc2ccc(N)cc2)n1 1876165990 VKYCCTFBJNVKFT-UHFFFAOYSA-N 321.178 3.379 10 10 DGCE Cc1cc(Cl)cc(CN2CCC[C@@H]2[C@H](O)C(F)(F)F)c1O 775690303 PRRMTNODMLLBNR-YPMHNXCESA-N 323.742 3.242 10 10 DGCE CCOc1cccc(CN2CCC[C@@H]([C@H]3CCOC3)C2)c1O 770375005 PPTGMSRIDAEECC-ZBFHGGJFSA-N 305.418 3.039 10 10 DGCE CC(C)(C)OC(=O)N1CCCCN1CCc1ccc(N)cc1 1959530126 JNVCQCZRTOIEKD-UHFFFAOYSA-N 305.422 3.059 10 10 DGCE CC[C@H](C(=O)NCc1ccc(O)cc1O)c1ccc(F)cc1 1162278295 GKVOTFPTBSUDFH-HNNXBMFYSA-N 303.333 3.047 10 10 DGCE [N-]=[N+]=NCCOCc1cccc(I)c1 1890599256 SPRQBCGOLCZOCZ-UHFFFAOYSA-N 303.103 3.118 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1c(F)ccnc1F 1179032866 PIVJZUAACRBSTN-UHFFFAOYSA-N 314.291 3.149 10 10 DGCE Cc1cc(N2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)ccc1CN 705947012 UODUHAIRDZYWFE-WOJBJXKFSA-N 321.468 3.022 10 10 DGCE C[C@H](N[C@@H]1CC[C@@H]2[C@@H](C1)C2(F)F)c1cc([N+](=O)[O-])ccc1O 1327604976 DNZKWLQKSOGEOI-HIAZDOBYSA-N 312.316 3.385 10 10 DGCE OC[C@@H]1CCC[C@@H]1CNCc1cc(Cl)cc(Cl)c1O 89494895 GTQWOTWAGUSFTI-ZJUUUORDSA-N 304.217 3.197 10 10 DGCE [N-]=[N+]=NC1CN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)C1 2200837295 BQKZPYZEROXRGS-UHFFFAOYSA-N 304.659 3.494 10 10 DGCE COc1cc(NC(=O)c2cc(O)cs2)cc(Cl)c1OC 1452633667 NKZZIPRHOPROQG-UHFFFAOYSA-N 313.762 3.377 10 10 DGCE Cc1cc(N2Cc3cccc(O)c3C2)nc(-c2ccccn2)n1 1472860305 YVJGSYUBUJPFQF-UHFFFAOYSA-N 304.353 3.073 10 10 DGCE CC[C@H](C[C@@H](C)O)NC(=O)c1sccc1-n1c(C)ccc1C 1558010376 YQAHHCWWKSGNDG-ZIAGYGMSSA-N 320.458 3.435 10 10 DGCE CC(C)c1ncc(NC(=O)c2ccc(N=NC(N)=O)cc2)cn1 1634039153 DAYVQTYQYVVUIG-UHFFFAOYSA-N 312.333 3.015 10 10 DGCE CCCC(C)(C)C(=O)N(C)CCN(C)c1ccc(OC)cc1 1585449279 JQHWXTGDPMRWKD-UHFFFAOYSA-N 306.450 3.416 10 10 DGCE C[C@H](NCc1cc(Cl)cc(Cl)c1O)C12CC(CO1)C2 1966042424 SJBBRRYSTALURU-JUXJKVCFSA-N 302.201 3.356 10 10 DGCE CC[C@@H](C)C(=O)NC[C@H](NCc1ccc(OC)c(C)c1)C(C)C 1698960515 KMRPNKVFQXFTDO-PBHICJAKSA-N 320.477 3.280 10 10 DGCE CCCNCc1ccc(N2CCC[C@@H]2CN(C)C)c(Cl)c1 164053435 KAJJMJXRNBRDAP-OAHLLOKOSA-N 309.885 3.370 10 10 DGCE Nc1ccc(CNc2ccc3scnc3c2[N+](=O)[O-])cc1 159520727 IBNJODMBVBBESO-UHFFFAOYSA-N 300.343 3.399 10 10 DGCE Oc1cccc(Br)c1CN1[C@H]2CC[C@H]1[C@H]1CC[C@H]2O1 1901239843 LHMUOFRGMLNGIW-DDHJSBNISA-N 324.218 3.049 10 10 DGCE Oc1c(Br)cccc1CN1[C@H]2CC[C@H]1[C@H]1CC[C@H]2O1 1901203832 LFMICQZGAOQQCL-IGQOVBAYSA-N 324.218 3.049 10 10 DGCE Oc1cccc(Br)c1CNc1cncc(Cl)n1 1943069068 WILKOXGCNKBFHI-UHFFFAOYSA-N 314.570 3.210 10 10 DGCE CN[C@@H](CCCNC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1977946823 XXFBZKLCNYBGRN-INIZCTEOSA-N 321.465 3.318 10 10 DGCE CN(CCN=[N+]=[N-])C(=O)c1ccccc1NC(=O)OC(C)(C)C 1985103807 ANLSKPBYXLTHEI-UHFFFAOYSA-N 319.365 3.416 10 10 DGCE C[C@H](N[C@@H]1CC[C@@H]1NC(=O)OC(C)(C)C)c1ccc(F)cc1O 1986714315 ZBVUTSLAWGBEAM-GDLCADMTSA-N 324.396 3.238 10 10 DGCE C[C@H](O)c1ccc(N(C)C[C@H]2C[C@H]2F)cc1Br 2014704486 HWLOKYUQMPYIOI-IGJMFERPSA-N 302.187 3.297 10 10 DGCE Cc1cccc(Br)c1[C@@H](NN)c1ccccc1O 2029556667 UWTAKENNCMBBAU-AWEZNQCLSA-N 307.191 3.016 10 10 DGCE CCOC(=O)[C@](C)(C[C@H](C)Sc1nccs1)NC(C)C 68639633 RODZCOJUWSUWHM-FZMZJTMJSA-N 316.492 3.334 10 10 DGCE CO[C@H]1CC[C@@H]1N(C)c1ccc([C@H](C)N)c(Br)c1 724225518 XJQMFHPBDKPRKK-HERUPUMHSA-N 313.239 3.082 10 10 DGCE CCNC(=O)c1cc(C2CC2)nn1[C@@H](C)c1ccc(C)cc1O 2070168347 ANGAOSSLQVGWNA-LBPRGKRZSA-N 313.401 3.134 10 10 DGCE Cc1cc(O)c([C@@H](C)n2nc(C(C)(C)C)c(CN)c2N)cc1C 2080023595 YRUWHABLOYQNGG-GFCCVEGCSA-N 316.449 3.153 10 10 DGCE CO[C@@]1(CN(C)c2ccc([C@H](C)O)cc2Cl)CCSC1 2186186034 PPZAXJCUUUTWRQ-XHDPSFHLSA-N 315.866 3.352 10 10 DGCE Cc1cc(S(=O)(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])sc1Cl 2225798519 JKLBPCDYLMCVHR-JGVFFNPUSA-N 320.827 3.220 10 10 DGCE COc1cccc(NC=C2C(=O)N(c3ccccc3)N=C2C)c1 2296800560 FXCMWXLFSZRSNT-UHFFFAOYSA-N 307.353 3.414 10 10 DGCE Cc1cccc(C=C2SC(=S)N(Cc3ccon3)C2=O)c1 2300341897 CFEXDUQXPOCHRG-UHFFFAOYSA-N 316.407 3.384 10 10 DGCE Cc1scc([C@@H](NN)c2ccccc2O)c1Br 2303658204 GHFHYAOCTCPLOX-LBPRGKRZSA-N 313.220 3.077 10 10 DGCE COc1ccc(Br)c(CN2C[C@@H](F)C[C@H]2C)c1O 1231547854 KMJISYDGKFBDJN-BDAKNGLRSA-N 318.186 3.096 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)N1CCC[C@@H]1Cc1ccccc1 2307982125 OZAWMFWDQPVFHE-QGZVFWFLSA-N 323.392 3.345 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)N[C@H](Cc1ccccc1)C1CC1 2307987853 OWBAEHYBEUXPJW-QGZVFWFLSA-N 323.392 3.249 10 10 DGCE Oc1cccc(Br)c1CNC[C@H]1C[C@H]2C=C[C@@H]1C2 2309756345 MEUGQRJTQHETPO-QJPTWQEYSA-N 308.219 3.457 10 10 DGCE Cc1ccc(CN[C@@H](C)c2ncc[nH]2)c(O)c1Br 2327621760 QWKRTSQJIYSYKQ-VIFPVBQESA-N 310.195 3.037 10 10 DGCE Oc1cc2c(cc1O)CN(c1ccccc1Br)CC2 2341216621 NUFRLVFEYYVIHF-UHFFFAOYSA-N 320.186 3.423 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1c(O)cc(F)cc1F 170732460 YXNYFLHKLWYHRX-UHFFFAOYSA-N 321.323 3.428 10 10 DGCE C[C@]1(CNCc2ccc(N3CCOCC3)c(F)c2)CCCS1 133581977 VRBSAFMREJORSZ-QGZVFWFLSA-N 324.465 3.038 10 10 DGCE CCN[C@H]1CCN(c2cc(Cl)c(OC)cc2OC)C[C@@H]1C 49712007 ZLPYZPINANEQDW-AAEUAGOBSA-N 312.841 3.182 10 10 DGCE Oc1ccc(Cl)c(F)c1CN1CCC(N2CCCC2)CC1 191216383 GSUUCYNVSGYFKP-UHFFFAOYSA-N 312.816 3.245 10 10 DGCE COc1ccc(OC)c([C@@H](C)NCc2cccc(OC)c2O)c1 237264540 MPOJRJRZLCHGBB-GFCCVEGCSA-N 317.385 3.269 10 10 DGCE NCc1ccc(N(CC2CC2)C2CC2)c(F)c1Br 231840151 DJQGZSXVNCCIBQ-UHFFFAOYSA-N 313.214 3.426 10 10 DGCE O=[N+]([O-])c1ncccc1NCc1cc(Br)ccc1O 804828577 SAAQRCSSKBIWMA-UHFFFAOYSA-N 324.134 3.070 10 10 DGCE CNCc1ccc(N(C)Cc2cc(OC)ns2)c(Cl)c1 722393113 YCXHVURTQUADQI-UHFFFAOYSA-N 311.838 3.161 10 10 DGCE CC(C)N(Cc1cc(C(C)(C)C)cc(O)c1O)[C@@H]1CCOC1 812292325 RTXMFVMIRMSTKN-OAHLLOKOSA-N 307.434 3.395 10 10 DGCE O=C1NC(=S)S/C1=C\c1c(Cl)cc(O)cc1Cl 575327271 LEELKZQOBLLNRE-BAQGIRSFSA-N 306.195 3.188 10 10 DGCE Oc1cc(OCc2ccccc2)ccc1CNC[C@@H]1CCCO1 826878161 VPIQYGJKCYYMTI-SFHVURJKSA-N 313.397 3.240 10 10 DGCE Cn1cc(NCc2ccc(Br)cc2O)c(C2CC2)n1 825955991 WBJGCCHRIQUHHR-UHFFFAOYSA-N 322.206 3.378 10 10 DGCE Cc1ccc(N2C(=O)/C(=C/c3ncc[nH]3)SC2=S)cc1 731155486 IBTPACCGSVNVKN-FLIBITNWSA-N 301.396 3.124 10 10 DGCE C[C@H]1CN(Cc2cc(Cl)cc(F)c2O)C[C@@](C)(C(F)F)O1 827955366 FXQACTMZSDIDTK-RTHLEPHNSA-N 323.742 3.429 10 10 DGCE Cc1cc(CC(=O)NC[C@@H]2CCC=CO2)c(C)n1-c1ccccc1 832644623 FHBOVDMKLTVKJK-IBGZPJMESA-N 324.424 3.446 10 10 DGCE C[C@H](NC(=O)[C@H](C)Cc1ccco1)c1ccc(N(C)C)cc1 832437281 YPKIBGPDXZRLBI-KGLIPLIRSA-N 300.402 3.402 10 10 DGCE Cc1ccc(O)c(CNCc2ccnn2CCc2ccccc2)c1 756140924 UUDJKTRLTWRJBS-UHFFFAOYSA-N 321.424 3.430 10 10 DGCE COc1cc(CNC[C@H]2C[C@@H](N(C)C)C2)c(O)c(C(C)(C)C)c1 850339313 PNEVNCNUBBLTID-OTVXOJSOSA-N 320.477 3.128 10 10 DGCE CCCCC(=O)NCc1cc(NC(=O)CCCC)ccc1O 923126483 JBMOXMQPWQAFMM-UHFFFAOYSA-N 306.406 3.327 10 10 DGCE C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@@H](C)C1(F)F 862442582 IRZQSBBJVOYZEL-HUUCEWRRSA-N 324.415 3.246 10 10 DGCE CC1CC(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)C1 768239425 ZFAZOQKTRQIVQY-UHFFFAOYSA-N 313.489 3.107 10 10 DGCE Cc1ccc(/C=C/C(=O)NCCCSc2nccs2)cn1 777860469 NYRPCSDOTCQGCY-AATRIKPKSA-N 319.455 3.158 10 10 DGCE COC(=O)/C(=C/c1ccc(N2CCCCC2)cc1)c1ncccn1 798229907 ITQGGCOURQUWFS-SAPNQHFASA-N 323.396 3.181 10 10 DGCE CC(C)(C)OC(=O)NC[C@H]1CCCCN1c1ccc(N)cc1 1959573910 ZBUQOBLYUNEEBF-OAHLLOKOSA-N 305.422 3.152 10 10 DGCE CC(C)(C)OC(=O)N[C@@]12CC[C@H]1CN(CCCCN=[N+]=[N-])C2 1962288008 POLAARWIWIBEOH-SWLSCSKDSA-N 309.414 3.066 10 10 DGCE CN(Cc1cc(N)ccc1O)c1ccc(Br)cc1 723925957 NRFRGUKGZYQSDV-UHFFFAOYSA-N 307.191 3.373 10 10 DGCE COc1cc(O)c(CNCc2cscc2Cl)cc1OC 1331565064 IIXMIUXDRBACMI-UHFFFAOYSA-N 313.806 3.414 10 10 DGCE CC(C)n1nccc1CNCc1c(O)cccc1Br 1964607818 VUUKPAXNZJMEMU-UHFFFAOYSA-N 324.222 3.222 10 10 DGCE CO[C@@H]1CC[C@@H](NC(=O)c2sccc2-n2c(C)ccc2C)C1 1338846956 WSCARBZEQGEBFG-ZIAGYGMSSA-N 318.442 3.453 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cncc(F)c1 1531694016 OFDVIQIKVAREIL-UHFFFAOYSA-N 313.376 3.093 10 10 DGCE Cc1ccc(NC(=O)Cc2ccc(O)c(O)c2)c2cccnc12 1629287771 JWAFTDXGHNRNDD-UHFFFAOYSA-N 308.337 3.136 10 10 DGCE C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(F)cc1 1558672414 PZNZMOWFYZLWIY-IMAIQDNJSA-N 301.317 3.128 10 10 DGCE CCCOc1ccnc(NCc2ccc(N(C)C)c(F)c2)n1 1655049602 WWQKFKQQQROOOB-UHFFFAOYSA-N 304.369 3.083 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)NC2C[C@H]3CC[C@H](C2)C3)c1 1676292728 CGFFTSGTHYZZMN-AVGNSLFASA-N 318.417 3.340 10 10 DGCE CCOc1ccc(O)c(CN(C)Cc2ccc(OC)cc2)c1 159868415 CWAUFRHGEWHTNW-UHFFFAOYSA-N 301.386 3.432 10 10 DGCE CCOC(=O)N1CCC(N=NNc2ccc(F)cc2F)CC1 1860496733 TZZAKXIPGSPPRZ-UHFFFAOYSA-N 312.320 3.365 10 10 DGCE COCCCNCc1ccc(N2CCCCCC2)c(OC)c1 212642443 UYUIWKKATNNEIE-UHFFFAOYSA-N 306.450 3.202 10 10 DGCE COc1ccc(N=N[C@H](C(C)=O)C(=O)Nc2ccccc2)cc1 256736728 LFOLAJSVQDPEFG-MRXNPFEDSA-N 311.341 3.375 10 10 DGCE Cc1ncccc1CN(C)c1ccc(CO)cc1Br 2129797144 JKHYUTBMZVPJGT-UHFFFAOYSA-N 321.218 3.281 10 10 DGCE CC[C@]1(C)N(C(=O)OC(C)(C)C)CC[C@]1(N)c1ccccc1O 1900199626 XNGKRQFIAGNAMR-ROUUACIJSA-N 320.433 3.356 10 10 DGCE CC(C)(C)OC(=O)NC1CC(C[C@H](N)c2ccccc2O)C1 1928469986 MSHVXTDYSYOYDO-YIZWMMSDSA-N 306.406 3.085 10 10 DGCE Nc1ccc(Oc2cc(F)c(Br)c(F)c2)nc1 1944099657 GGYAQQVWESGATL-UHFFFAOYSA-N 301.090 3.497 10 10 DGCE CN(C)c1ccc([C@@H](O)CN(C(=O)OC(C)(C)C)C2CC2)cc1 1977939323 PLLIPWKVJKBSCR-INIZCTEOSA-N 320.433 3.186 10 10 DGCE CO[C@H]1CN(c2ccc(CNC(C)C)c(Cl)c2)C[C@@H]1F 2146480032 WEUBXSMASWHOPX-GJZGRUSLSA-N 300.805 3.011 10 10 DGCE Cc1ccc([C@@H](C)Nc2c(Br)cnn2C)c(O)c1 2038257530 PGBVGMAXDIBDTN-SECBINFHSA-N 310.195 3.370 10 10 DGCE CNCc1ccc(N2C[C@H]3C[C@H]2[C@H]2C[C@H]32)c(Br)c1 2041540794 NNQXWIGEFAVCSY-FJJYHAOUSA-N 307.235 3.013 10 10 DGCE Cc1ccc([C@H](C)NCc2nn(C)cc2Br)c(O)c1 393354663 KSBZODPXEZYXRX-JTQLQIEISA-N 324.222 3.047 10 10 DGCE C[C@@H](N[C@H]1CC[C@@H](O)CC1)c1cccc(C(F)(F)F)c1O 2064783686 NVIGGBIPJRHITN-MXWKQRLJSA-N 303.324 3.365 10 10 DGCE C[C@H](N)c1ccc(N(C)CC(F)(F)C(F)(F)F)c(F)c1 2170195365 WTKZLJYEVNKUFU-ZETCQYMHSA-N 300.246 3.479 10 10 DGCE COC1(CN(C)c2ccc([C@@H](C)O)c(Br)c2)CC1 2048926124 YSMJZPPAXQSDKR-SNVBAGLBSA-N 314.223 3.118 10 10 DGCE COc1ccc(N(CCCN)Cc2nc(Cl)cs2)cc1 2197077632 QHWDHWWQUOQIDT-UHFFFAOYSA-N 311.838 3.161 10 10 DGCE Cc1cc(CO)ccc1N1C[C@@](C)(F)[C@](C)(Br)C1 2084854880 FGEVGHFULNBVEY-ZIAGYGMSSA-N 316.214 3.189 10 10 DGCE Cc1ccc(O)c(CNC[C@H]2CC[C@H]2NC(=O)OC(C)(C)C)c1 2244704877 WPEPNPZDSHNUAH-UKRRQHHQSA-N 320.433 3.094 10 10 DGCE Cc1cccc(CNC[C@H]2CC[C@@H]2NC(=O)OC(C)(C)C)c1O 2244728387 BUWUTFGTIPFVNK-HIFRSBDPSA-N 320.433 3.094 10 10 DGCE CSc1ncc(CNC[C@@H]2CN[C@@H]3CCCC[C@H]3C2)s1 2284728901 PCCXUARQAUIFRJ-MBNYWOFBSA-N 311.520 3.123 10 10 DGCE CCCN1C(=O)C(=CN(C(C)=O)c2ccccc2)SC1=S 2297550889 XKNJFSVIVLKDEB-UHFFFAOYSA-N 320.439 3.151 10 10 DGCE Cc1ccc(CNCc2nccs2)c(O)c1Br 2307568219 CCNHBFUHPUGTGP-UHFFFAOYSA-N 313.220 3.209 10 10 DGCE CN(c1ccc(CO)c(Br)c1)[C@@H]1C[C@@H]2C[C@H]1[C@H]1C[C@H]21 2330306007 UBDJIFPXGAQNHN-UKTSDXOISA-N 322.246 3.422 10 10 DGCE Cc1ccc(CNC(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)c(O)c1Br 2352638801 SGDRSDQQJOTDGW-GDNZZTSVSA-N 324.218 3.125 10 10 DGCE CC[C@@H](C)N(CCOC)c1ccc(CN)c(C(F)(F)F)c1 42561144 YOMMMVHXCZGLSL-LLVKDONJSA-N 304.356 3.415 10 10 DGCE COc1cccc(Cn2ccnc2Cc2ccc(N)cc2)c1OC 82734805 SDVWUKCOYUWSTJ-UHFFFAOYSA-N 323.396 3.122 10 10 DGCE Cc1ccc(CC(=O)NCc2c(O)ccc3c2CCCC3)s1 174519901 QUXIBWSHUVSGAI-UHFFFAOYSA-N 315.438 3.500 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)c1cccn1C1CC1 182551473 NRKXIRYSRBFSJB-UHFFFAOYSA-N 310.397 3.337 10 10 DGCE CC(C)[C@@H]1C[C@@H]1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 185471710 YVZYYBUJLLEKGF-ULQDDVLXSA-N 317.429 3.192 10 10 DGCE C[C@H](NCCC(=O)Nc1ccccc1)c1ccc(F)c(F)c1O 187717695 HYHZIJPCAPTYRI-NSHDSACASA-N 320.339 3.350 10 10 DGCE CCOc1ccc(O)c(CNCCc2cc(C)c(O)c(C)c2)c1 190395357 MQXAEABXKBKUMA-UHFFFAOYSA-N 315.413 3.446 10 10 DGCE COC[C@@H](C)N(C)Cc1c(O)ccc2oc3c(c12)CCCC3 193419425 QFTVUCHGXBGOMN-GFCCVEGCSA-N 303.402 3.484 10 10 DGCE Cc1ccc(O)c(NC2=NC(=O)/C(=C\c3cccnc3)S2)c1 210614451 MKPBRDBRKIKMOJ-RIYZIHGNSA-N 311.366 3.178 10 10 DGCE CCC[C@H]1CCN(c2cc3c(cc2Cl)[C@@H](NC)C(=O)N3)C1 228734327 RDHKGJNWYCRMFO-ZUZCIYMTSA-N 307.825 3.179 10 10 DGCE C[C@@]1(F)CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 296464948 PVQKRIMYKMDBOU-GOSISDBHSA-N 317.408 3.096 10 10 DGCE C[C@H](N[C@H](C)c1cc(F)ccc1O)c1nnc2n1CCCCC2 321488820 DPZRPKUYLBOSFK-NEPJUHHUSA-N 318.396 3.261 10 10 DGCE CC1CCC(S(=O)(=O)Nc2ccc(O)c(Cl)c2)CC1 407313843 ORUCZJJKDSWCNM-UHFFFAOYSA-N 303.811 3.366 10 10 DGCE Cc1cc(C)c2c(c1)CN(C(=O)/C=C\c1ccc(O)c(O)c1)CC2 588523023 NDHOYMOBPGEAIU-XQRVVYSFSA-N 323.392 3.313 10 10 DGCE CC(C)(C)[C@H](CCO)Nc1c(N)cccc1Br 697472319 RPCDMFBNCYBHFK-NSHDSACASA-N 301.228 3.240 10 10 DGCE CN(Cc1cc(Br)cc(F)c1O)CC(F)(F)F 715713494 QKRGIOLUFHOZQG-UHFFFAOYSA-N 316.092 3.288 10 10 DGCE O=C(/C=C\C1CC1)Nc1c(-c2ccccn2)nc2ccccn12 751302180 KOVLEOVMEVDVBH-KTKRTIGZSA-N 304.353 3.301 10 10 DGCE CN(C)c1ccc(CN2CC[C@H](Cc3ccncc3)C2)cc1F 783596719 FYLZABPJQJLYCC-QGZVFWFLSA-N 313.420 3.351 10 10 DGCE COc1cc(C)cc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1C 787662929 ZYIQGTALEQXSNS-FNORWQNLSA-N 313.353 3.375 10 10 DGCE COc1ccc(CNC(=S)Nc2ccccc2C)c(O)c1 795031610 MSYTWRHEOQGFMT-UHFFFAOYSA-N 302.399 3.196 10 10 DGCE O=[N+]([O-])c1cc(Cl)cc(CNCCC2(F)CCC2)c1O 808427565 WWHKOULPWOAABM-UHFFFAOYSA-N 302.733 3.326 10 10 DGCE CC(C)C[C@@H](CNCc1ccccc1O)NC(=O)OC(C)(C)C 811477342 NNIJSKZHKUHADN-HNNXBMFYSA-N 322.449 3.421 10 10 DGCE CO[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C1CCC1 821033274 NUNNAZRCNSZSQH-SFHVURJKSA-N 316.445 3.059 10 10 DGCE CN(C)c1ccc(CNC(=O)[C@@H]2CCCC3(CC3)C2)cc1F 824670001 SSKLHQMFKRUHFH-CQSZACIVSA-N 304.409 3.478 10 10 DGCE CCOc1ccc(O)c(CNC[C@@H]2CCOC3(CCC3)C2)c1 824750319 HNZMYTCZRYMWON-CQSZACIVSA-N 305.418 3.230 10 10 DGCE CCN(CC)c1ccc(CN2CCc3nccnc3C2)cc1F 827692255 GVOZWMNGZUFSNE-UHFFFAOYSA-N 314.408 3.020 10 10 DGCE C[C@H](NC(=O)Cc1cc(C2CC2)no1)c1ccc(N(C)C)cc1 832431742 TWTGUXXQUQACLE-LBPRGKRZSA-N 313.401 3.038 10 10 DGCE C[C@H](NCC1=CCOCC1)c1ccc(Br)cc1O 834859400 BEMFPVZYIHLJRJ-JTQLQIEISA-N 312.207 3.152 10 10 DGCE CN(C)c1ccc(/C=C/CNC[C@@H](CO)c2ccccc2)cc1 835044212 XXTWDGCDEACXIU-GHOSXJJBSA-N 310.441 3.132 10 10 DGCE CCN(CC)c1ccc(CNC(=O)CC(C)(C)COC)cc1F 839677409 RIZLJUNMLMTPRI-UHFFFAOYSA-N 324.440 3.351 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2C[C@@H]2C2CCCC2)c1 845834339 SLRVMJDGJJKXGW-IUIKQTSFSA-N 303.402 3.404 10 10 DGCE COC[C@@H](CC(C)(C)C)NCc1ccc(N2CCOCC2)cc1 845924724 CRINQCACLZLKDV-QGZVFWFLSA-N 320.477 3.064 10 10 DGCE C[C@H](NCc1c(C(F)(F)F)cnn1C)c1cc(F)ccc1O 858452550 LPTDKJSYPCCLEZ-QMMMGPOBSA-N 317.286 3.134 10 10 DGCE CCN(C)c1ccc(CN2[C@@H](C)CC(C(=O)OC)C[C@@H]2C)cc1 860190995 YUKAYZZGROLOBV-GJZGRUSLSA-N 318.461 3.305 10 10 DGCE C[C@H](NC(=O)c1ocnc1C(F)F)c1ccc(N(C)C)cc1 860949712 BANUFKNSJSJCGG-VIFPVBQESA-N 309.316 3.169 10 10 DGCE C/C=C/C[C@@H]1CCCN(C(=O)NCCc2ccc(N)cc2)C1 861639138 AMSKSCDPIMQLFS-WOMSROEHSA-N 301.434 3.199 10 10 DGCE CC(C)c1cccc(OCC(=O)N2Cc3cccc(O)c3C2)c1 871199136 SZAUPGRNTUIVHO-UHFFFAOYSA-N 311.381 3.437 10 10 DGCE COc1cc(O)c(CNCC[C@H]2CCCC2(F)F)cc1OC 895544447 JCQLGNGWXZCQCW-GFCCVEGCSA-N 315.360 3.325 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)NC[C@@]23CCCC[C@@H]2C3)c1 924360029 ZPGPTJHEQTYMAV-JCGVRSQUSA-N 318.417 3.341 10 10 DGCE COc1ccc(N2CCN(C(=O)C[C@@H]3CC=CCC3)CC2)cc1 929249048 COYULUROLOYQNI-MRXNPFEDSA-N 314.429 3.090 10 10 DGCE CC(=O)c1cc(F)cc(CN[C@H]2CCOC23CCCCC3)c1O 933876073 ZRMRNXXORQQAEH-INIZCTEOSA-N 321.392 3.315 10 10 DGCE CN(Cc1ccccc1O)c1ccc2cnccc2c1[N+](=O)[O-] 1162838705 RKEDXGJWAKUBMY-UHFFFAOYSA-N 309.325 3.485 10 10 DGCE c1ccc(CN2CC[C@@H](NCc3ccc4c(c3)CCCO4)C2)cc1 1199013626 NRCGMLSEFHBDKV-HXUWFJFHSA-N 322.452 3.376 10 10 DGCE CC(C)(C(=O)NCc1c(O)cccc1F)c1ccc(F)cc1 1303878620 PLHSNRUXNVIAHG-UHFFFAOYSA-N 305.324 3.264 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)NCC1CCC(F)CC1 1326751569 KLLGUEKHQUGYLO-UHFFFAOYSA-N 321.440 3.389 10 10 DGCE COc1ccccc1C(F)(F)C(=O)N(C)Cc1ccccc1O 1445645278 KBHXMXSFJPKNBC-UHFFFAOYSA-N 321.323 3.151 10 10 DGCE Cc1cc(N(C)C)ccc1CN=c1c(Cl)c[nH]cc1[N+](=O)[O-] 1458179940 JNZWDOMQIGMNJZ-UHFFFAOYSA-N 320.780 3.052 10 10 DGCE Cc1cc(C(=O)Cn2cnc(Cl)n2)c(C)n1-c1ccccc1 1459111460 GXDWZCOWRQSCGY-UHFFFAOYSA-N 314.776 3.222 10 10 DGCE Nc1c(C(=O)N2Cc3cccc(O)c3C2)cccc1C(F)(F)F 1471355734 SOUZGVSDBDGGCB-UHFFFAOYSA-N 322.286 3.149 10 10 DGCE C[C@H](Oc1ccccc1)C(=O)NCc1cc(Cl)ccc1O 1557386524 VUUQSQNAGFHOQW-NSHDSACASA-N 305.761 3.129 10 10 DGCE Cc1ccc(O)c(CNC(=O)NC[C@H]2C[C@@H]2Cc2ccccc2)c1 1565473621 LJXOFRLURLZDRP-DLBZAZTESA-N 324.424 3.379 10 10 DGCE CC(F)(F)c1ccc(CNC(=O)Cc2ccc(O)c(O)c2)cc1 1569746553 IABDBRFYHXCHSF-UHFFFAOYSA-N 321.323 3.068 10 10 DGCE O=C(c1cc2ccccc2cc1O)N1Cc2cccc(O)c2C1 1587928736 RXVICAGMKQDFRB-UHFFFAOYSA-N 305.333 3.407 10 10 DGCE COc1ccc(CNC(=O)Cc2ccc(F)c(Cl)c2)c(O)c1 1617754046 WZDCFNNDUNHRBY-UHFFFAOYSA-N 323.751 3.052 10 10 DGCE CCOc1ccc(N(C)C[C@H]2CCC[C@]3(CCOC3)O2)cc1 1620559742 BHZWYUVSYUAJMM-QZTJIDSGSA-N 305.418 3.250 10 10 DGCE CCO[C@@H]1[C@@H](C)[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C 1625240820 SMNXQFWQUXNLED-BMGDILEWSA-N 318.461 3.161 10 10 DGCE C=C/C=C\CC(=O)Nc1c(-c2ccccn2)nc2ccccn12 1641971947 ISCCHQBRECDVOM-ARJAWSKDSA-N 304.353 3.467 10 10 DGCE COc1cccc(C(F)F)c1C(=O)N1Cc2cccc(O)c2C1 1644088177 IPRSUQWWFLABEY-UHFFFAOYSA-N 319.307 3.494 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCCN(S(=O)(=O)C2CCCCC2)C1 1912162597 XXXGQOLGNJSXGX-LBPRGKRZSA-N 300.428 3.061 10 10 DGCE CC[C@@](C)(O)CN(Cc1ccccc1)c1ccc(CO)cc1F 1915193334 MBJHXZQROYUBCM-LJQANCHMSA-N 317.404 3.486 10 10 DGCE C[C@@]1(c2cc(Br)cc(Br)c2O)CCN1 1952221927 KGJMCXLRBOGNSB-JTQLQIEISA-N 321.012 3.126 10 10 DGCE CN(C[C@@H]1C[C@@H]1COc1ccc(N)cc1)C(=O)OC(C)(C)C 1952753687 BPVVZSHFMXLZJW-QWHCGFSZSA-N 306.406 3.151 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]2CCN(CCCN=[N+]=[N-])C[C@H]21 1962298055 BRMHBTZACPGMFG-QWHCGFSZSA-N 309.414 3.018 10 10 DGCE COc1cc(Cl)cc(CNC2C[C@@H]3CSC[C@H]3C2)c1O 1973975143 GFNQGKGETHSZSA-GHMZBOCLSA-N 313.850 3.285 10 10 DGCE CC[C@H](NC[C@@H]1C[C@H]1NC(=O)OC(C)(C)C)c1ccccc1O 1978008131 FQXYPOQJOFWXTQ-AEGPPILISA-N 320.433 3.346 10 10 DGCE C[C@H](N)c1cc(F)c(N2CC(OCc3ccccc3)C2)c(F)c1 1990444471 OAPMDICRWJCSMY-LBPRGKRZSA-N 318.367 3.390 10 10 DGCE C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@]1(N)c1ccccc1O 1991568384 LANWQOGMHHPSEX-SCLBCKFNSA-N 320.433 3.213 10 10 DGCE Cc1cc(N2C[C@@H]3CCN(Cc4ccccc4)[C@H]3C2)ccc1CN 2015065552 VQUBXRRSWCUHRI-FPOVZHCZSA-N 321.468 3.164 10 10 DGCE Nc1ccc(CNCc2cc(F)ccc2Br)cc1 2031664767 JVOLJUYPNYFVLL-UHFFFAOYSA-N 309.182 3.460 10 10 DGCE C[C@H](N)c1ccc(N(C)Cc2cnco2)cc1Br 2043638203 ZYPGUROVLVEFMQ-VIFPVBQESA-N 310.195 3.093 10 10 DGCE O=C1N=C(N2CCCCC2)SC1=Cc1ccc([N+](=O)[O-])cc1 2053511951 QCXLQOZKNKMXAK-UHFFFAOYSA-N 317.370 3.051 10 10 DGCE Oc1c(F)cc(Br)cc1CN1C[C@@H](F)C[C@@H](F)C1 2062326870 GNEAHFBKSZJWQE-AOOOYVTPSA-N 324.140 3.176 10 10 DGCE OCc1cc(C2CCCC2)nn1Cc1c(O)cccc1Cl 2070201284 IWCOOHFTSATFGC-UHFFFAOYSA-N 306.793 3.440 10 10 DGCE Cc1ccc([C@H](C2CC2)n2nc(C(C)C)c(CN)c2N)c(O)c1 2078981634 NTYAJOMXADHVQF-KRWDZBQOSA-N 314.433 3.061 10 10 DGCE Cc1cnc(Br)c(CN2CCC(N=[N+]=[N-])CC2)c1 2085944921 JQXRMIKWBUZZOG-UHFFFAOYSA-N 310.199 3.427 10 10 DGCE C[C@@H]1CC[C@@H](CNCc2cc(Cl)cc(Cl)c2O)N1C 2095277095 LHNRNSCOXGYBOX-SKDRFNHKSA-N 303.233 3.271 10 10 DGCE C[C@H](N)c1ccc(N(C)C[C@@]2(C)CSCCO2)cc1Cl 2201254914 PIOAYAIGDRMEID-NHYWBVRUSA-N 314.882 3.318 10 10 DGCE CC(C)[C@H]1COCCN1Cc1ccc(Br)cc1O 2223621676 KKGZJYSEUQBOII-CYBMUJFWSA-N 314.223 3.012 10 10 DGCE COc1ccc(NCc2ccc(O)c(O)c2)c(Br)c1 2229049917 NRDRRBPWOFONNR-UHFFFAOYSA-N 324.174 3.481 10 10 DGCE COc1ccc(OC)c(C=C2SC(=S)N(C(C)C)C2=O)c1 2294407184 WENHYDOVWDWXJZ-UHFFFAOYSA-N 323.439 3.313 10 10 DGCE COC1CCN(Cc2ccc(C)c(Br)c2O)CC1 2327566570 DAQMSIXIYKJYDA-UHFFFAOYSA-N 314.223 3.074 10 10 DGCE Cc1ccc(CNc2ccnc(O)c2)c(O)c1Br 2327581459 ANCDFOCQOBNBPG-UHFFFAOYSA-N 309.163 3.176 10 10 DGCE C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)C(=O)C[C@H]12 2333059785 HZDYOVALJZGFJH-CFQOYVHHSA-N 302.414 3.058 10 10 DGCE CN(C)[C@@H]1C[C@H]2C[C@H]1CN2Cc1cc(Cl)cc(Cl)c1O 2366827438 HHIYMTHLKXOVAG-MRCXROJRSA-N 315.244 3.223 10 10 DGCE CN(Cc1cscn1)c1ccc(CN)c(C(F)(F)F)c1 42829148 YXFJXPBGQTVTRI-UHFFFAOYSA-N 301.337 3.257 10 10 DGCE COc1ccc(N2CC[C@@H](C[C@@H](C)NCC(F)(F)F)C2)cc1 107937931 BIXYCBZJNJBGIH-OLZOCXBDSA-N 316.367 3.452 10 10 DGCE c1csc(SCCCNCc2ccc3c(c2)CCO3)n1 124246024 JLMZILPZFQEDAU-UHFFFAOYSA-N 306.456 3.350 10 10 DGCE Nc1ccc(CCC(=O)Cc2ccc(Br)cn2)cc1 124653701 RZUMBSBQQIYWLA-UHFFFAOYSA-N 319.202 3.171 10 10 DGCE CC[C@H](N[C@H]1Cc2ccccc2[C@@H]1O)c1ccc(N(C)C)cc1 178358148 XHWXSRVVSORZFO-UFYCRDLUSA-N 310.441 3.452 10 10 DGCE Cc1ccc(O)c([C@H](C)N[C@H]2CCc3nnc(C(C)C)n3C2)c1 186293285 IKJLFOCEMRCMGM-KBPBESRZSA-N 314.433 3.081 10 10 DGCE COc1ccc(N(C[C@@H](O)COC(C)C)[C@H](C)C2CC2)cc1 246588059 IJXOIFUAJKVGET-RHSMWYFYSA-N 307.434 3.086 10 10 DGCE CC(=O)Nc1ccc(/C=C\C(=O)N(C)Cc2ccccc2O)cc1 255496669 WHYLGEPTNRZJLP-XFXZXTDPSA-N 324.380 3.022 10 10 DGCE CC[C@@H](NC1CCN(C(=O)C(C)C)CC1)c1ccc(C)cc1O 280175694 RIPARAOJGIRODH-QGZVFWFLSA-N 318.461 3.388 10 10 DGCE CN(C)c1ccc(CNCc2ccnc(OC(F)F)c2)cc1 283916190 INMFPFQDAQXMNZ-UHFFFAOYSA-N 307.344 3.039 10 10 DGCE CCOc1ccc(O)c(CN[C@@H](C)[C@H](O)c2ccccc2)c1 288480245 GKJWJBQAHMQURH-UGSOOPFHSA-N 301.386 3.003 10 10 DGCE CCOc1ccc(O)c(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1 290826777 HERMFQUSRCMAAU-ZWKOTPCHSA-N 317.429 3.324 10 10 DGCE Cc1ccc(C(=O)N2CC[C@](F)(c3ccccc3)C2)c(O)c1O 377120101 MLGYJWFZQZLFQX-GOSISDBHSA-N 315.344 3.117 10 10 DGCE CN1CC[C@@H]2CCN(Cc3cc(Cl)cc(Cl)c3O)C[C@@H]21 378469915 DQRIYXVRASZTDU-YGRLFVJLSA-N 315.244 3.225 10 10 DGCE C[C@H](N[C@H](C)COCc1ccccc1)c1ccc(O)cc1O 390559418 KLLRCBWTYDZAJL-KGLIPLIRSA-N 301.386 3.354 10 10 DGCE CCCn1ccnc1CNCc1cc(Br)ccc1O 395330252 GAJFMTMKUONFPP-UHFFFAOYSA-N 324.222 3.051 10 10 DGCE Oc1cccc(Br)c1CNC1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 706875329 VHSHXMUCTPJXEX-WBRVRECLSA-N 308.219 3.289 10 10 DGCE Oc1c(F)cc(Br)cc1CNC[C@H]1C=CCC1 715790742 CUHLFGFHMXQSAE-VIFPVBQESA-N 300.171 3.350 10 10 DGCE COc1cc(C)cc(CN2CCC[C@H]2c2cc(C)no2)c1O 754728016 VDFQYPDMPJQDOJ-AWEZNQCLSA-N 302.374 3.343 10 10 DGCE Cc1ccc(O)c([C@@H](C)Nc2cccc([C@@H]3CNC(=O)C3)c2)c1 757619536 QMSVZYHBAAQLLK-HIFRSBDPSA-N 310.397 3.477 10 10 DGCE CCCN(CC(=O)OC(C)(C)C)Cc1cc(OCC)ccc1O 758028835 GRIGHOOWSBXGDE-UHFFFAOYSA-N 323.433 3.345 10 10 DGCE CN(C)c1ccc(CNC(=O)N[C@@H]2CCCC(F)(F)C2)cc1 767845356 SHAZPRHQJIEBHA-CYBMUJFWSA-N 311.376 3.130 10 10 DGCE COc1ccc(CN[C@@H](c2ccccc2)c2nc[nH]n2)cc1C 775971311 NJLLZOHNSVEEHD-KRWDZBQOSA-N 308.385 3.001 10 10 DGCE CN1CCCc2cc(CNC(=O)[C@@H]3C[C@H]3c3ccccc3)ccc21 795832463 GYIIRABHOXMASO-RBUKOAKNSA-N 320.436 3.489 10 10 DGCE CCN(C)C(=O)COc1ccc(N2CCCCC2)c(Cl)c1 817380959 AOIUARPKRPHEOV-UHFFFAOYSA-N 310.825 3.187 10 10 DGCE Cc1cc(O)c(CN2CC3(CCNCC3)C[C@@H]2C)c(Cl)c1 818431812 UDGXJCXKDIPMBO-ZDUSSCGKSA-N 308.853 3.318 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)[C@H](OC)C2CCCCC2)c1 830540825 NXJDMLBCJMDCNS-SJKOYZFVSA-N 321.417 3.173 10 10 DGCE CN(Cc1ccccc1O)c1nnc(-c2ccoc2)n1CC1CC1 830862859 GLPZCEYCNTYAHK-UHFFFAOYSA-N 324.384 3.290 10 10 DGCE CCC[C@](C)(NC/C=C/c1ccc(N(C)C)cc1)C(=O)OC 835033862 YEHITAUPFURQDU-DVBCCOPCSA-N 304.434 3.087 10 10 DGCE Cc1csc(CCNC/C=C\c2ccc(N(C)C)cc2)n1 835035818 KWVNABHDYIJSSS-PLNGDYQASA-N 301.459 3.363 10 10 DGCE CO[C@H](CN[C@H](C)c1ccc2ccccc2c1O)[C@@H]1CCOC1 850484373 HZLAXCJEBGKTPH-DDUZABMNSA-N 315.413 3.248 10 10 DGCE CCC(NCc1ccc([N+](=O)[O-])c(OC)c1O)(C1CC1)C1CC1 862468752 NLTIDEOBQMOCPX-UHFFFAOYSA-N 320.389 3.367 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCN(C)[C@H]1CC 868108991 BFYLBVOJVWCSJG-SJORKVTESA-N 318.461 3.251 10 10 DGCE C[C@@H](CC(=O)N1Cc2cccc(O)c2C1)C(=O)c1ccccc1 871202260 BKFYGNIAZBDSNF-ZDUSSCGKSA-N 309.365 3.144 10 10 DGCE C[C@@H]1CCSCCN1C(=O)c1cc2cc(O)c(O)cc2s1 897554287 BXPFBTKFQRLMPZ-SECBINFHSA-N 323.439 3.280 10 10 DGCE CO[C@]1(CN[C@H]2C[C@H](C)c3c(F)ccc(O)c32)CCSC1 903314737 PFCQFSMYCOVKDN-PKWAYOAASA-N 311.422 3.191 10 10 DGCE Cc1ccc(O)c([C@H](C)N[C@H](CCN(C)C)c2cccnc2)c1 903378468 CJPAQOLGAMFNJI-MAUKXSAKSA-N 313.445 3.439 10 10 DGCE Cc1ccc(C2=NO[C@@H](C(=O)N[C@@H](C)c3ccccc3O)C2)cc1 913763403 FSHYEKGHAIKVFV-SCLBCKFNSA-N 324.380 3.071 10 10 DGCE C[C@H](NCc1ccc2c(c1)CCO2)c1ccnn1CC1CCC1 924901653 SQQFMNUJNAKQHT-AWEZNQCLSA-N 311.429 3.469 10 10 DGCE CC[C@H](N[C@@H]1CNC[C@H]1C)c1ccc(C(F)(F)F)cc1O 925784387 NDNVRQLQWMHCIV-JIMOISOXSA-N 302.340 3.060 10 10 DGCE Cn1cnc(/C=C/C(=O)N2CC(C)(C)Sc3ccccc32)c1 1126984368 ZDKZAFCCSXOMFB-CMDGGOBGSA-N 313.426 3.351 10 10 DGCE COc1ccc(N2CCCN(C[C@@H](CC(C)C)OC)CC2)cc1 1167108309 ORASONCRQYRTKT-LJQANCHMSA-N 320.477 3.268 10 10 DGCE C[C@H](CC(=O)NCc1cc(O)ccc1O)c1c[nH]c2ccccc12 1471661294 MIVPJTBPCCQWPK-GFCCVEGCSA-N 324.380 3.389 10 10 DGCE C[C@H]1CC[C@@H]1NC(=O)N(C)Cc1ccc(N2CCCC2)cc1 1478604496 FBUBIESWYXDCCT-YOEHRIQHSA-N 301.434 3.227 10 10 DGCE C[C@H](NC(=O)C[C@H](O)c1ccc(Cl)cc1)c1ccccc1O 1643745359 MGTAEOHEAAUMPS-ZBEGNZNMSA-N 319.788 3.347 10 10 DGCE O=C(C[C@@H]1CCCC[C@H]1O)NCc1c(O)ccc2ccccc12 1647791294 NFUDOHHDDOLGNX-WMLDXEAASA-N 313.397 3.103 10 10 DGCE COc1ccc(N2CCN(CCC3CCC3)CC2)c(OC)c1 1659861071 JZVFPGGLFATMBZ-UHFFFAOYSA-N 304.434 3.016 10 10 DGCE C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)N(C)Cc1ccc(N(C)C)cc1 1687605765 PBJZWQPTDQBQNY-LFVTVUPYSA-N 315.461 3.186 10 10 DGCE Nc1ccc(CC(=O)N2CCc3cccc(Cl)c3C2)cc1 1866324130 GFUKZIRJSZQWNI-UHFFFAOYSA-N 300.789 3.050 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H]([C@H](N)c2ccccc2O)[C@@H]2C[C@H]21 1902970806 CURFHTCFLVZWOM-ZIEJDFEHSA-N 318.417 3.038 10 10 DGCE CC(C)[C@H]1CCN1c1cc(Br)c(CN)cc1F 1941307633 JGSJWLJDNMBOQP-GFCCVEGCSA-N 301.203 3.282 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(N)cc2)C12CC2 1959353927 VYFKAIUWRFPBSN-CQSZACIVSA-N 303.406 3.223 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CC[C@H](CNc2ccc(N)cc2)C1 1959373554 JXJCWASAZOIJSS-WFASDCNBSA-N 305.422 3.374 10 10 DGCE CC(C)(C)OC(=O)NC1(CCNCc2cc(F)ccc2O)CC1 1972548241 BTKXGTJNTMUQQF-UHFFFAOYSA-N 324.396 3.068 10 10 DGCE COc1cccc(O)c1CN[C@@H](C)CN(C)Cc1ccccc1 1976859088 SQXHOOHXUUWQCR-HNNXBMFYSA-N 314.429 3.011 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@H](Nc1ccc(N)cc1)C2 1977658919 HQFJRDKBOGXAJQ-RCBQFDQVSA-N 317.433 3.469 10 10 DGCE Oc1cc(Br)ccc1CNC[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2 2070861247 JOWOUYLUFULMGG-VWKSAYTASA-N 308.219 3.146 10 10 DGCE CCc1c(C(C)(C)C)nn(Cc2cccc(OC)c2O)c1N 2079823782 JVYMQSCDWFFXFG-UHFFFAOYSA-N 303.406 3.088 10 10 DGCE CNCc1ccc(N(C)CCn2cccc2)cc1Br 2115188392 SNMARDNCLKTOCG-UHFFFAOYSA-N 322.250 3.106 10 10 DGCE CCNCc1ccc(N2CC(SC)C2)cc1C(F)(F)F 2153906853 LZORGFPIAYMMQP-UHFFFAOYSA-N 304.381 3.367 10 10 DGCE CCSC1CN(c2ccc(CNCCOC)c(Cl)c2)C1 2153908197 WVORIXIETDWTCR-UHFFFAOYSA-N 314.882 3.018 10 10 DGCE CC(C)OC[C@@H]1CCCN1c1cc(Cl)c(CN)cc1F 2177389988 TYRVCGPQUKKAKZ-LBPRGKRZSA-N 300.805 3.332 10 10 DGCE CC(C)NCc1ccc(N2CCOC[C@@H]2CF)cc1Cl 2182597844 HTLCYYRIKOFDJW-AWEZNQCLSA-N 300.805 3.013 10 10 DGCE Cc1cc([C@@H](C)N)ccc1N1C[C@H]2C[C@H]1CN2Cc1ccccc1 2217380004 GGLAJELLCYMJIJ-AHRSYUTCSA-N 321.468 3.478 10 10 DGCE CC[C@H]1C[C@H]1CNCc1c(Br)ccc(OC)c1O 2220463078 WBFQWAPSPJCJIX-UWVGGRQHSA-N 314.223 3.299 10 10 DGCE Oc1ccc(Cl)cc1CN1CC[C@@H](OC(F)(F)CF)C1 2238816822 GJECUUHCBUKCIA-LLVKDONJSA-N 309.715 3.199 10 10 DGCE C[C@H](O)c1ccc(N(C)CC[C@H]2CCO2)cc1Br 2263966084 MORHQUCKWZWCFB-JQWIXIFHSA-N 314.223 3.118 10 10 DGCE CCOC(=O)c1cnc(Sc2nc3cccnc3s2)s1 2283903004 GNOUDTJKKYCZKR-UHFFFAOYSA-N 323.424 3.476 10 10 DGCE Oc1cccc(Br)c1CN[C@@H]1[C@@H]2[C@H]1CCC2(F)F 2309462537 YXUFTICOKBIJGT-MKCWBWRRSA-N 318.161 3.288 10 10 DGCE COCCCCCN(C)Cc1c(O)cccc1Br 2319967346 GOYFEEGMGDYMGC-UHFFFAOYSA-N 316.239 3.403 10 10 DGCE Cc1ccc(CN(C)C(=O)CC(C)C)c(O)c1Br 2327604080 VPKVIKKSHDRYRR-UHFFFAOYSA-N 314.223 3.468 10 10 DGCE COC[C@@]1(C)CCN1Cc1ccc(C)c(Br)c1O 2327805002 XTTZUOUNWGMETQ-CQSZACIVSA-N 314.223 3.074 10 10 DGCE NCc1ccc(N2CC(SC(F)(F)F)C2)cc1C1CC1 2364574110 KFBPGJVLTQSEKZ-UHFFFAOYSA-N 302.365 3.464 10 10 DGCE CN[C@@H](C)c1ccc(N(C)CC2CCN(C)CC2)cc1Cl 78928116 LSZBBKVXHFKISL-ZDUSSCGKSA-N 309.885 3.398 10 10 DGCE Nc1ccc(Cc2nccn2Cc2ccccc2[N+](=O)[O-])cc1 82734800 FELADFMGPRVGEL-UHFFFAOYSA-N 308.341 3.013 10 10 DGCE COc1ccc(N2CCC(Nc3ccnc(C4CC4)n3)CC2)cc1 110487777 WVYXNJICUPTRDC-UHFFFAOYSA-N 324.428 3.444 10 10 DGCE COc1ccc(CN2CCC[C@@H]2c2c(C)nn(C)c2C)c(O)c1 122818485 PZTRKTSJNBZQBS-MRXNPFEDSA-N 315.417 3.088 10 10 DGCE Cc1cc(C(=O)NC2(CN)CCCC2)c(C)n1-c1ccccc1 154290654 BKMJIGGOAWONFL-UHFFFAOYSA-N 311.429 3.095 10 10 DGCE COc1cc(CN2CCC[C@@H](n3cc(C)cn3)C2)c(O)cc1C 160264307 ZRWXVHDJJXPZPL-MRXNPFEDSA-N 315.417 3.051 10 10 DGCE CCN(CC)c1ccc(CNCCOC)cc1C(F)(F)F 163653403 ITHOKZACALZPDF-UHFFFAOYSA-N 304.356 3.288 10 10 DGCE Cc1cc(O)c(CN2CC[C@@H](C(=O)OC(C)(C)C)C2)cc1C 176168554 MWLNCQYNPFCKKY-CQSZACIVSA-N 305.418 3.173 10 10 DGCE CCCN(CCC)c1ccc(CN2C[C@@H](C)[C@H](CO)C2)cc1 191726917 QOFNWYRCISBEGD-AEFFLSMTSA-N 304.478 3.373 10 10 DGCE CC(C)n1nnnc1CNc1ccccc1C(=O)c1ccccc1 192587807 ZPZOHRULHGDRCH-UHFFFAOYSA-N 321.384 3.097 10 10 DGCE C[C@H](NCc1nnc2ccccn12)c1ccc2ccccc2c1O 192942795 OZKOYOIKCASMRT-ZDUSSCGKSA-N 318.380 3.439 10 10 DGCE CC[C@@H](NCc1ccn(C)n1)c1cc(Br)ccc1O 213179513 UFEKCMYCGLBZKY-CYBMUJFWSA-N 324.222 3.129 10 10 DGCE CC[C@H](CNC(=O)OC(C)(C)C)N[C@@H](C)c1ccccc1O 227724287 FHKOWOWTXCDSFK-QWHCGFSZSA-N 308.422 3.346 10 10 DGCE C[C@H]1SCCN(c2ccc(CN)c(Br)c2)[C@@H]1C 228155808 ZTISJDNOGNVMNZ-NXEZZACHSA-N 315.280 3.238 10 10 DGCE COCCNCc1ccc(N2CCCSCC2)cc1Cl 234679802 XWOSHUXLALHGIW-UHFFFAOYSA-N 314.882 3.019 10 10 DGCE COc1cccc(CN2C[C@H](C)OC[C@@H]2c2ccccc2)c1O 245756757 OTYIEMASGWWVBW-WMLDXEAASA-N 313.397 3.363 10 10 DGCE COc1cc(Cl)cc(CN2CCC[C@H]([C@H]3CCCN3)C2)c1O 317627346 OAYMUZXSASFFKV-SWLSCSKDSA-N 324.852 3.018 10 10 DGCE C[C@@H](COCc1ccccc1)N[C@H](C)c1cc(O)ccc1O 390553027 DZCBDSRIWZKUDS-UONOGXRCSA-N 301.386 3.354 10 10 DGCE C[C@@H]1CN(Cc2c(O)cccc2Cl)C[C@@](C)(C(F)F)O1 698928421 JSAQKNFERPBGRE-OTYXRUKQSA-N 305.752 3.290 10 10 DGCE Cc1cc(Br)cc(CN2CCO[C@H](C)CC2)c1O 720497662 WCKJZZAUXIYCND-LLVKDONJSA-N 314.223 3.074 10 10 DGCE CCN(CC)c1ccc(CNC(=O)NC[C@@H]2C[C@H]2C)cc1F 731364180 SOTWTUMOMPFHEF-OCCSQVGLSA-N 307.413 3.127 10 10 DGCE Cc1cc(C)cc(CN(C)Cc2cc3c(cc2O)OC[C@@H]3O)c1 766090128 HWRGXTVJHAJQTN-SFHVURJKSA-N 313.397 3.067 10 10 DGCE CC[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1O)c1nccs1 775025748 WFNCOTDPSHOVAA-JTQLQIEISA-N 323.374 3.006 10 10 DGCE O=C(/C=C\c1cncc(O)c1)N1CC2(CCC2)c2ccccc21 791023447 LMHMZWBBNYTVTD-SREVYHEPSA-N 306.365 3.269 10 10 DGCE Oc1ccc2ccccc2c1CN1CCOC[C@H]1CC(F)F 795729791 KNRASJPAKLJSSA-CYBMUJFWSA-N 307.340 3.401 10 10 DGCE CC[C@H](NCc1ccc(N(CC)CC)c(F)c1)[C@H](O)C(F)F 824635029 DWYNPTPOGVZDRT-ZFWWWQNUSA-N 318.383 3.166 10 10 DGCE Cc1cc(O)c(CN2CC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1Cl 826097027 MNGMTFPJIVCAMD-NOZJJQNGSA-N 323.742 3.099 10 10 DGCE CN(C)c1ccc(/C=C\CNCCCN2CCCCC2)cc1 835035053 DKGVSSVDPZQVLO-VURMDHGXSA-N 301.478 3.231 10 10 DGCE CCCC(C)(C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855227160 WFQJQIXBTJAAFZ-CQSZACIVSA-N 304.434 3.216 10 10 DGCE O=C(c1cc(O)cs1)N1CC2(CCOCC2)[C@H]1c1ccco1 855596370 BJZNYHJNOJFIEN-CQSZACIVSA-N 319.382 3.041 10 10 DGCE Oc1ccccc1CN[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F 858222778 XDIOKFXQDPNQCV-CZUORRHYSA-N 323.314 3.416 10 10 DGCE COCc1ccc(NCc2cc([N+](=O)[O-])ccc2O)cc1OC 858310535 ZQNONNRCIOCQMG-UHFFFAOYSA-N 318.329 3.068 10 10 DGCE CCN(C)c1ccc(CN2[C@@H](C)C[C@H](C(=O)OC)C[C@H]2C)cc1 860190997 YUKAYZZGROLOBV-SCAQPMJSSA-N 318.461 3.305 10 10 DGCE Cc1ccc(O)c(CNC(=O)[C@@H](C)OCc2ccccc2C)c1 862754503 ZRMYWQPTUBJTBZ-OAHLLOKOSA-N 313.397 3.231 10 10 DGCE Oc1c(F)cc(Br)cc1CN[C@H]1[C@H]2CCC[C@H]21 883177746 HTGQWDFZCKOTAZ-PEGIJTEDSA-N 300.171 3.182 10 10 DGCE CSC1CCC(CNC(=O)N(C)Cc2ccccc2O)CC1 924286816 KVZPJFXOCXEFQW-UHFFFAOYSA-N 322.474 3.455 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)NCCC1(c2ccccc2)CC1 927544016 CMEPCDCMKFLRRC-VQHVLOKHSA-N 323.392 3.349 10 10 DGCE CON(CC(C)(C)C)C(=O)c1cc2cc(O)c(O)cc2s1 1140198365 AUVKMPNIKUDUBE-UHFFFAOYSA-N 309.387 3.362 10 10 DGCE CC(C)[C@](C)(Cc1ccccc1)NC(=O)c1cccc(O)c1O 1171557305 OZNVRNAUNLFAKK-IBGZPJMESA-N 313.397 3.485 10 10 DGCE CCN(C)c1ccc(CN2CCN(c3ccncc3)[C@@H](C)C2)cc1 1175775501 RITQHWIUPWWUFS-KRWDZBQOSA-N 324.472 3.248 10 10 DGCE Cc1cccnc1[C@@H](C)NCc1ccc(N2CCOCC2)cc1 1198641321 OYBMBYOBVFXRGY-MRXNPFEDSA-N 311.429 3.077 10 10 DGCE CCCN(CCOC)Cc1cc(Br)ccc1O 1203635017 GDXVMPZPQIJNOI-UHFFFAOYSA-N 302.212 3.013 10 10 DGCE CCCCOc1ccc(NC(=O)c2c(F)ccc(O)c2O)cn1 1306830849 INCGMFNOIZYLBT-UHFFFAOYSA-N 320.320 3.063 10 10 DGCE Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NC[C@H]1CNCCC1(F)F 1354234666 ILRKIEAZHGJUQP-UPJWGTAASA-N 310.388 3.083 10 10 DGCE Cc1cc(CC(=O)N[C@@H](C)C(F)F)c(C)n1-c1ccccc1 1536726351 IVKCQARDEFHHAE-LBPRGKRZSA-N 306.356 3.406 10 10 DGCE C[C@@H]1CCc2c(C(=O)NCc3c(O)cccc3O)csc2C1 1558534710 XEAIQECRIKDBNZ-SNVBAGLBSA-N 317.410 3.214 10 10 DGCE C[C@@]1(CNC(=O)c2cccc(O)c2O)CCCc2ccccc21 1598439034 BCOHGIYOFGDRMF-IBGZPJMESA-N 311.381 3.122 10 10 DGCE COc1ccncc1NCc1c(O)cccc1Br 1620869849 ZNSWDQCGWLEICC-UHFFFAOYSA-N 309.163 3.170 10 10 DGCE C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1Cl 1623359716 HPXFHNVHXOTVJC-SNVBAGLBSA-N 305.761 3.171 10 10 DGCE CCC(CC)C(=O)N[C@H](C)CNCc1ccc(OC)c(C)c1 1732946785 YZKLDRVHVJCYIV-CQSZACIVSA-N 306.450 3.034 10 10 DGCE O=C(O)C=Cc1ccc(N2C[C@H]3C[C@@H]3C2)cc1Br 1911917429 ICUQBVRPJOVAEJ-GHMZBOCLSA-N 308.175 3.003 10 10 DGCE CC(C)(C)OC(=O)N1CC(=O)C[C@@H]1CCCc1ccc(N)cc1 1952826425 XZZUZSYZHZGSGB-HNNXBMFYSA-N 318.417 3.170 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccc(N)cc2)CC1 1959373385 HUFOMSAQPKCBBO-CQSZACIVSA-N 305.422 3.470 10 10 DGCE CC(C)(C)OC(=O)NCC1(F)CCN(CCCN=[N+]=[N-])CC1 1962303397 GYLNDSDSVNISLR-UHFFFAOYSA-N 315.393 3.016 10 10 DGCE C[C@H](NC(=O)OC(C)(C)C)[C@@H](N)c1ccc(N2CCCC2)cc1 1977942702 YBOBEFFAJVHRFB-XJKSGUPXSA-N 319.449 3.200 10 10 DGCE Oc1c(Br)cccc1CNC[C@@H]1C[C@H]1C(F)F 1997383363 MXMWSNSPHPWLRQ-DTWKUNHWSA-N 306.150 3.146 10 10 DGCE OCc1ccc(N2CC[C@@H]3[C@H](C2)C3(F)F)c(Br)c1 2034634394 DHCYUMYZXQGNMS-ZJUUUORDSA-N 318.161 3.033 10 10 DGCE CCc1nn(Cc2c(C)cccc2O)c(C(F)(F)F)c1CO 2078932935 QNYMDPWWBSJUPQ-UHFFFAOYSA-N 314.307 3.019 10 10 DGCE Nc1c(Cl)nn(Cc2cccc(F)c2O)c1C(F)(F)F 2079207174 CNGBTLSZXVEFNN-UHFFFAOYSA-N 309.650 3.031 10 10 DGCE C[C@@](O)(c1cccc(Br)c1)[C@@H](N)c1ccccc1O 2091867148 KOFANYWDLBMRLD-LSDHHAIUSA-N 322.202 3.062 10 10 DGCE Oc1cccc(Br)c1CNCCCc1cccnc1 2094453978 ULAIZNVELWWXRX-UHFFFAOYSA-N 321.218 3.272 10 10 DGCE CC[C@H](N)Cc1cnc(Sc2nc(C)c(C)c(C)n2)s1 2155360463 JCUPMVVKDLHVPO-NSHDSACASA-N 308.476 3.289 10 10 DGCE C[C@H](O)c1ccc(N(C)[C@@H]2COCCC2(F)F)cc1Cl 2168226810 DKPLATSFEPSGTR-TVQRCGJNSA-N 305.752 3.254 10 10 DGCE COc1ccc(N(C)C[C@@H](O)COCc2ccccc2)cc1C 2210943858 WGGNMJLIGJIHHU-GOSISDBHSA-N 315.413 3.018 10 10 DGCE C[C@H](c1ccccc1O)N(C)c1nc(Br)cn1C 2219458275 IEXBXBGYGQINFG-SECBINFHSA-N 310.195 3.086 10 10 DGCE C[C@@H](NCc1conc1Br)c1ccc(N(C)C)cc1 2230522544 WKVXBYJBEGSFFY-SNVBAGLBSA-N 324.222 3.354 10 10 DGCE Cc1nc(CSCC(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])cs1 2234175544 CYEMZOBLWGGXPV-WDEREUQCSA-N 311.436 3.032 10 10 DGCE CSc1ncc(CNc2ncc(Br)cn2)s1 2243790769 SUACYPUEHJKHLY-UHFFFAOYSA-N 317.237 3.030 10 10 DGCE CN1CCCc2cc([C@@H](N)c3cocc3Br)ccc21 2270488012 DNSAVLJJHWANBD-OAHLLOKOSA-N 321.218 3.473 10 10 DGCE CSc1ncc(CNCc2ccc(F)cc2[N+](=O)[O-])s1 2284638861 SEVKHPUDCNZYKW-UHFFFAOYSA-N 313.379 3.202 10 10 DGCE CN1C(=O)C(=Cc2ccccc2OC(F)(F)F)SC1=S 2296618883 ZKGHPTBPFNNPAY-UHFFFAOYSA-N 319.329 3.416 10 10 DGCE Cc1cc(C)c(N=NN2CCN(c3ncccn3)CC2)c(C)c1 2318775703 HBCZWVLHJSSPPT-UHFFFAOYSA-N 310.405 3.223 10 10 DGCE CP(C)(=O)[C@@H]1CC[C@@](Sc2nccs2)(C(=O)O)C1 2327013724 KZWDONFIUYVGQX-KCJUWKMLSA-N 305.361 3.234 10 10 DGCE Cc1ccc(CN[C@H]2CCCOCC2)c(O)c1Br 2327621653 PQGMVHDGJXBETF-LBPRGKRZSA-N 314.223 3.122 10 10 DGCE CN[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2O)CC1 2340125893 MSUDVXVFQJFUCF-GFCCVEGCSA-N 303.233 3.273 10 10 DGCE FC(F)(F)c1cc(N2CCSC2)ccc1CNC1CC1 2369317577 MGMWWFOBTDTDDV-UHFFFAOYSA-N 302.365 3.468 10 10 DGCE COc1ccc([C@H](CN)N(Cc2ccccc2)C(C)C)c(O)c1 32071211 BKXMPYYBNXALOF-SFHVURJKSA-N 314.429 3.311 10 10 DGCE CCCC1=NN2C(=N)/C(=C\c3ccccc3C)C(=O)N=C2S1 33284302 XJIZTJBRIRJDSK-ZOXWBLRNSA-N 312.398 3.414 10 10 DGCE O=S(=O)(Nc1nc(-c2ccccn2)cs1)c1cccs1 57690190 WLKDXVFLETZFFA-UHFFFAOYSA-N 323.424 3.067 10 10 DGCE CCN(Cc1ccc(N)cc1)c1ccc(C(N)=O)c(Cl)c1 61847170 ZAMZYDDVODCHFN-UHFFFAOYSA-N 303.793 3.048 10 10 DGCE COCCNCc1ccc(N(C)Cc2cccs2)c(F)c1 62735721 WZYFFJMQAUQXKV-UHFFFAOYSA-N 308.422 3.260 10 10 DGCE O=C(O)[C@@H]1CCC[C@@H](NCc2cc(Cl)cc(Cl)c2O)C1 86787760 PCCWEBFQFMPIDT-LDYMZIIASA-N 318.200 3.432 10 10 DGCE CC(C)NCCCCCNc1cc(O)c(O)c2cccnc12 96327923 FCXHOYPJDATJNS-UHFFFAOYSA-N 303.406 3.226 10 10 DGCE Cc1cccc(-n2c(C)cc(C(=O)N(C)[C@H]3CCOC3)c2C)c1 106843754 FPMNCRADNBOOMT-KRWDZBQOSA-N 312.413 3.263 10 10 DGCE CCOCCN(CC)c1ccc([C@@H](C)N)cc1Br 111119826 PNXHJACCOZWYLB-LLVKDONJSA-N 315.255 3.332 10 10 DGCE CCC[C@@H]1CN(c2cc(Cl)c(OC)cc2OC)[C@@H](C)CN1 225651265 HIYUSCRKQSWWSM-NWDGAFQWSA-N 312.841 3.324 10 10 DGCE CCN[C@H](C)c1ccc(N(C)C[C@H]2CCN(C)C2)c(Cl)c1 250305696 RKPOYCQUGBXVEA-KGLIPLIRSA-N 309.885 3.398 10 10 DGCE C[C@@H](c1cc(Br)ccc1O)N(C)C[C@H]1CCCO1 251793897 WRIZDSLJHRHZDH-CMPLNLGQSA-N 314.223 3.327 10 10 DGCE COC(=O)[C@@H]1CCN(Cc2cc(-c3ccccc3)ccc2O)C1 271101836 PPAKKKIPTXTYRR-MRXNPFEDSA-N 311.381 3.054 10 10 DGCE Nc1ccc(O)c(CN2CC[C@H](COCc3ccccc3)C2)c1 383899721 MHOSUHCGJQYAJG-INIZCTEOSA-N 312.413 3.013 10 10 DGCE Cc1ccc([C@@H](C)NC[C@@H]2c3ccccc3C(=O)N2C)c(O)c1C 528002036 KVEBQUOFCQRBMZ-RDTXWAMCSA-N 324.424 3.487 10 10 DGCE OCc1ccc(N2Cc3cccc(Br)c3C2)cc1 713215336 GTEFVINPRXYOJE-UHFFFAOYSA-N 304.187 3.462 10 10 DGCE C[C@@H](NCC1CN(Cc2ccccc2)C1)c1ccc(F)cc1O 716269154 JITFKJRYNUNPIZ-CQSZACIVSA-N 314.404 3.314 10 10 DGCE CCCN(CCC)c1ccc(CN(C)C[C@H](C)C(=O)NC)cc1 769570141 XGGGECKSKIXVKI-INIZCTEOSA-N 319.493 3.127 10 10 DGCE C[C@H]1CCCN(c2ccc(CNC[C@@H](O)C3CC3)cc2Cl)C1 819290786 MHXMYVLCGQSGBV-SCLBCKFNSA-N 322.880 3.437 10 10 DGCE CCOc1ccc(O)c(CN2C[C@@H](C)O[C@@](C)(C(F)F)C2)c1 827962813 UECNFNVPISEDAO-BDJLRTHQSA-N 315.360 3.035 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCC[C@@H]2CN2CCCC2)cc1 835027929 OIUXEHFGWKKCJG-MWGFUINXSA-N 313.489 3.326 10 10 DGCE O=C(O)[C@@H]1CC[C@H](NCc2cc(-c3ccccc3)ccc2O)C1 843040764 XWPMKPNBVOYKCH-WBVHZDCISA-N 311.381 3.402 10 10 DGCE CCOc1ccc(O)c(CN[C@@H](c2ccccc2F)[C@H](C)O)c1 846015743 DFQKJSRLKAUZKL-KPZWWZAWSA-N 319.376 3.142 10 10 DGCE CCOc1cccc(CN[C@H](C2CCOCC2)C2CC2)c1O 846043406 ZHFLLHMRRSMKQE-KRWDZBQOSA-N 305.418 3.086 10 10 DGCE COc1cccc([C@@H](C)N[C@@H]2COc3ccc(F)cc3C2)c1O 846173321 RBNRFVOOALFJGD-RISCZKNCSA-N 317.360 3.194 10 10 DGCE C/C(=C\c1ccccn1)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 846976972 HWTCSSXUOPIGMD-BUYIWHAFSA-N 309.413 3.428 10 10 DGCE CC[C@@H](NC[C@@](C)(CO)OC)c1ccc(Cl)c(Cl)c1O 848557605 GGGAYDPACDCLJT-RISCZKNCSA-N 322.232 3.137 10 10 DGCE CCc1cccc(CN[C@@H]2CCN(C)[C@H]2c2ccccc2)c1O 848898979 BMEOGAMQCPHCFG-MOPGFXCFSA-N 310.441 3.490 10 10 DGCE CN(C)c1ccc(/C=C/CNC[C@H]2CCN2C(C)(C)C)cc1 850341805 ATBVTELVDHCNJW-IPLHWJFFSA-N 301.478 3.228 10 10 DGCE CCc1cnc(CN[C@@H]2CCN(c3ccc(OC)cc3)C2)s1 850347434 SCUURELEYLITEF-CYBMUJFWSA-N 317.458 3.083 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@@H](C)CCc3ccco3)C2)cc1 850489249 SFVGLCYAFVKOFK-JKSUJKDBSA-N 314.429 3.478 10 10 DGCE CC[C@@H](N[C@@H](C)CN(C)CCCN(C)C)c1ccc(C)cc1O 850502173 SIBPRNDZDBNTRD-FUHWJXTLSA-N 321.509 3.013 10 10 DGCE Cc1cncc(CCN[C@@H]2C[C@@H](C)c3c(F)ccc(O)c32)n1 850549454 GSKMGXYLLKVWSZ-QMTHXVAHSA-N 301.365 3.010 10 10 DGCE C[C@@H](COc1ccccc1)C(=O)NCc1cc(Cl)ccc1O 857547702 QFUCLEIYOFIEFW-LBPRGKRZSA-N 319.788 3.377 10 10 DGCE Cc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccccc2O)s1 867836188 IVXYELUDVGACFX-NSHDSACASA-N 311.428 3.110 10 10 DGCE COC(=O)c1cc(CN2Cc3cccc(O)c3C2)[nH]c1C(C)C 895450010 RRRKPPPQTCWFIL-UHFFFAOYSA-N 314.385 3.146 10 10 DGCE CC(C)COCCCNC(=O)c1cc2cc(O)c(O)cc2s1 895577518 MFMKKWGEDATMNK-UHFFFAOYSA-N 323.414 3.105 10 10 DGCE C[C@@H](NC(=O)NCc1c(O)cccc1F)c1c(F)cccc1F 1251171303 PJULVPIIERJKJG-SECBINFHSA-N 324.302 3.370 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CC[C@@H]2C[C@H]2C1 1328161475 RVRURILYKLPBOJ-VNQPRFMTSA-N 301.434 3.049 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1nncc2ccccc12 1465845770 HAVLMAWNOLRPLV-UHFFFAOYSA-N 321.380 3.388 10 10 DGCE C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(F)cc1Cl 1468379101 CRZYWFGQVBGTMP-VIFPVBQESA-N 323.751 3.310 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@]1(C)CC1(C)C 1479197501 FJDWMUKHQPOFLC-SFHVURJKSA-N 303.450 3.330 10 10 DGCE CN(Cc1ccccc1O)C(=O)NC[C@@H]1C[C@H]1C1CCCC1 1521349526 KBLNQECYJUPOMQ-HOTGVXAUSA-N 302.418 3.360 10 10 DGCE O=C(N[C@H]1CCCc2ccc(F)cc21)c1c(F)ccc(O)c1O 1611257800 PVESGQSHYFPBDL-ZDUSSCGKSA-N 319.307 3.183 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2snc(Cl)c2Cl)c1 1641733090 JFGWPCXNTHKWFR-UHFFFAOYSA-N 317.197 3.394 10 10 DGCE Cn1cc(NCc2c(O)cccc2Cl)c(Br)n1 1651299817 MTEVXQGJDICAEK-UHFFFAOYSA-N 316.586 3.154 10 10 DGCE CC[C@@H](C)C(=O)NC[C@H](NCc1ccc(OC)c(C)c1)C1CC1 1690143639 YFLLBGCUCVVZOZ-DYVFJYSZSA-N 318.461 3.034 10 10 DGCE C/C=C(/C)C(=O)N[C@@H](C)CCCNCc1ccc(OC)c(C)c1 1700652452 HINIWKDTDUAHMH-VCXBKZMZSA-N 318.461 3.344 10 10 DGCE CCN[C@@H](CN(C(=O)OC(C)(C)C)C1CC1)c1ccccc1O 1936969680 DMTYTPKQQZOPIE-HNNXBMFYSA-N 320.433 3.442 10 10 DGCE CCN[C@H](c1ccccc1O)[C@H]1CCCN1C(=O)OC(C)(C)C 1936986770 LUNWUPNPGLXONV-GDBMZVCRSA-N 320.433 3.442 10 10 DGCE CCNCc1ccc(N(C)C2CSC2)cc1Br 1941413047 BXBVCRYYPUWVOH-UHFFFAOYSA-N 315.280 3.110 10 10 DGCE CN(C)c1ccc([C@@H](N)C(C)(C)NC(=O)OC(C)(C)C)cc1 1959563235 YPVCZEVIKOLEEB-CQSZACIVSA-N 307.438 3.056 10 10 DGCE COc1ccc(Br)c(CN2CCC[C@H]2CF)c1O 1970257308 RUZKZUFODNACEP-VIFPVBQESA-N 318.186 3.097 10 10 DGCE Cc1cccc(O)c1CNCC1(C)CN(C(=O)OC(C)(C)C)C1 1970943980 SSUGSKKZGQLIOQ-UHFFFAOYSA-N 320.433 3.047 10 10 DGCE Oc1ccc(Br)cc1CNC[C@H]1C(F)(F)C12CC2 1974189065 NITFCJSNCAZURG-LLVKDONJSA-N 318.161 3.290 10 10 DGCE COc1cc(Cl)cc(CNCCC(F)(F)C(F)F)c1O 1974212576 GSVPAFHFZGHTGB-UHFFFAOYSA-N 315.694 3.434 10 10 DGCE CN(C)c1ccc([C@@H](N)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 1977944493 GPVDHIUCFAEKQO-GDBMZVCRSA-N 319.449 3.009 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H]2CCN(CCCN=[N+]=[N-])C[C@H]2C1 1982248314 SIPSHSZOWIVNPW-KGLIPLIRSA-N 323.441 3.266 10 10 DGCE N[C@H]1CCc2cc(N(Cc3ccccc3)[C@@H]3CCOC3)ccc21 1986610790 UQZRXHWFQWJSBF-QUCCMNQESA-N 308.425 3.428 10 10 DGCE Cc1cccc(CN[C@H](C)C(C)(C)NC(=O)OC(C)(C)C)c1O 1991719667 DPHFPENPRPMMOK-CYBMUJFWSA-N 322.449 3.482 10 10 DGCE CC1=CCN(c2ccc(CNC3CC3)cc2Br)C1 2077223385 UPWNPIVXCYJDBF-UHFFFAOYSA-N 307.235 3.467 10 10 DGCE CN(Cc1cc(Cl)cc(Cl)c1O)[C@@H]1CCC[C@@H](N)C1 2099836313 PGZRZNPTDKAGOO-VXGBXAGGSA-N 303.233 3.401 10 10 DGCE COC[C@]1(C)CCCN(c2cc(Cl)c(CN)cc2F)C1 2192195288 KHXJJKSWMIAYOG-OAHLLOKOSA-N 300.805 3.191 10 10 DGCE CN[C@@H](C)c1cc(F)c(N2CC[C@@H](CSC)C2)c(F)c1 2194695005 QEPLEKGXXQRCEU-WDEREUQCSA-N 300.418 3.435 10 10 DGCE CN[C@H](C)c1ccc2c(c1)CCN2C[C@@]1(Cl)CC1(F)F 2205570831 RQBPZOAILNMITM-YGRLFVJLSA-N 300.780 3.346 10 10 DGCE Cc1cc(C(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])oc1Br 2218737757 KJMAKERUNAUJBT-JGVFFNPUSA-N 313.155 3.312 10 10 DGCE COc1ncc(NCc2c(C)cccc2O)cc1Br 2232185048 YLMNAKYSQMFQOM-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE CCSCC[C@H](C)N(C)C(=O)C=Cc1ccc(O)c(O)c1 2307987930 UXCVMRNBWXAHNZ-LBPRGKRZSA-N 309.431 3.101 10 10 DGCE C[C@H](O)c1ccc(N2C[C@@H]3C[C@H]2[C@@H]2C[C@H]32)cc1Br 2308715671 AGOHZSALKXPWCT-JJJPVPFUSA-N 308.219 3.347 10 10 DGCE O=C(C=Cc1ccc(O)cc1)NCc1c(O)ccc2c1CCCC2 2309030592 SFFKOHOUGCGRGK-UHFFFAOYSA-N 323.392 3.306 10 10 DGCE CC[C@@H]1Cc2ccccc2CN1C(=O)C=Cc1ccc(O)c(O)c1 2309366555 AAIGUJGACKAVFZ-QGZVFWFLSA-N 323.392 3.475 10 10 DGCE O=C(O)C1CCN(N=Nc2cccc(OC(F)(F)F)c2)CC1 2318775633 DNSQNTGNTWMAGO-UHFFFAOYSA-N 317.267 3.381 10 10 DGCE CCc1nnsc1CN(C)c1ccc([C@@H](C)O)c(Cl)c1 2360888824 FUXSASKKQGJVHN-SECBINFHSA-N 311.838 3.444 10 10 DGCE COc1ccc(O)c([C@H]2SCC(=O)N2Cc2ccccc2)c1 3196578 ZSKKKNHBNHJVHA-QGZVFWFLSA-N 315.394 3.175 10 10 DGCE Oc1cc2c(cc1CN1CCc3[nH]c4ccccc4c3C1)OCO2 179849801 LMWGKPYNPJBMFV-UHFFFAOYSA-N 322.364 3.161 10 10 DGCE COc1cc([C@@H](NN)c2ccc(N(C)C)cc2)sc1Cl 2365845933 SPBBVBDCTDGFHP-ZDUSSCGKSA-N 311.838 3.029 10 10 DGCE O=C(NCCCSc1nccs1)c1cccn1C1CC1 181872154 CMYAVZFZEPFJSV-UHFFFAOYSA-N 307.444 3.192 10 10 DGCE O=C(O)Cc1nc2ccccn2c1/N=N\c1ccccc1C(=O)O 71581247 NHCRBMVTYIZPQO-HNENSFHCSA-N 324.296 3.075 10 10 DGCE CCCNCc1ccc(N2CCN3CCC[C@H]3C2)c(Cl)c1 249679181 QOCBXPRGLXZDCT-HNNXBMFYSA-N 307.869 3.124 10 10 DGCE COc1cccc(OC)c1C(=O)Nc1cccc(N(C)C)c1 243749303 PVUASDMSDRZMAM-UHFFFAOYSA-N 300.358 3.022 10 10 DGCE CSc1ncc(CN[C@]2(C(=O)O)CCCCC[C@@H]2C)s1 2374525061 YILGPTUNZNVPMF-IINYFYTJSA-N 314.476 3.378 10 10 DGCE Cc1ccc(F)c2c1N(C(=O)/C=C\c1cnn(C)c1C)CCC2 255394784 RDQMGNJWNSMKRF-CLFYSBASSA-N 313.376 3.169 10 10 DGCE CO[C@@H]1CC(F)(F)CC[C@H]1NCc1ccc(Cl)cc1O 2162096642 ZLKSSYWDSXXQIZ-DGCLKSJQSA-N 305.752 3.338 10 10 DGCE Cc1cc(Cl)cc(CNC[C@H]2CC(=O)N(C(C)(C)C)C2)c1O 827555424 TYURQYSSRKQCFX-GFCCVEGCSA-N 324.852 3.091 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 835055537 VTRLDFCJBBDASF-IDXCZYJWSA-N 314.473 3.391 10 10 DGCE Cc1cccc(CN2C[C@H](C)NCc3ccc(F)cc32)c1O 841046472 BMSFNNFMBNRAMZ-ZDUSSCGKSA-N 300.377 3.338 10 10 DGCE COc1ccc(O)c(CNC(=O)N[C@H]2C[C@@H]2C2CCCCC2)c1 745819821 GUIFUAVQWOJLOS-CVEARBPZSA-N 318.417 3.169 10 10 DGCE CC[C@H](NCc1ccc(N(C)C)cc1)c1c(C)nn(C)c1C 742388574 YXEXDXCBEWAVJW-KRWDZBQOSA-N 300.450 3.344 10 10 DGCE COc1cc(Cl)cc(CNCCOCc2ccccc2)c1O 390250789 TUSTXZGNKZWCON-UHFFFAOYSA-N 321.804 3.361 10 10 DGCE COC[C@@H](CCN[C@@H](C)c1cc(Cl)cc(C)c1O)OC 850487201 YEUPBCKESMVKQG-WCQYABFASA-N 301.814 3.056 10 10 DGCE CS[C@@H]1CC[C@@H]1NCc1cc(Br)ccc1O 390573303 VNHRNJRKUQTWCP-CMPLNLGQSA-N 302.237 3.138 10 10 DGCE CN(C)c1ccc(CNC(=O)CSCC2C[C@@H]3C[C@H]3C2)cc1 863355228 NOTCYXAIVSFIMY-HZPDHXFCSA-N 318.486 3.148 10 10 DGCE C[C@H](NC(=O)NC[C@H](C)CC(F)(F)F)c1ccccc1O 868706601 YQUHIMYWYHLLOQ-ZJUUUORDSA-N 304.312 3.341 10 10 DGCE C[C@@H]1C[C@H](N[C@H](C)c2cc(Br)ccc2O)[C@@H](C)O1 866443408 LXGADMPCTDXAMP-PRFIWBCESA-N 314.223 3.371 10 10 DGCE CC(C)(C)C[C@H]1CCCN1Cc1cc2c(cc1O)OC[C@H]2O 768445156 QEYVBTQFPLLXSW-CZUORRHYSA-N 305.418 3.219 10 10 DGCE Oc1cc2c(cc1CN1CCOC[C@@H]1C(F)(F)F)CCCC2 768446231 LNDUTMRFIOYZBT-OAHLLOKOSA-N 315.335 3.034 10 10 DGCE C/C(=C/c1cccnc1)C(=O)N(C)c1cnc2ccccc2n1 1129363700 ZJPVUXHIULUGNA-RAXLEYEMSA-N 304.353 3.091 10 10 DGCE O=C(NCCCSc1nccs1)c1nc(Cl)cs1 789945358 IFOMNSXQCBZPSU-UHFFFAOYSA-N 319.864 3.165 10 10 DGCE Nc1ccccc1N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)F 1896885507 AQSPUCAIGIVSPO-RHSMWYFYSA-N 317.383 3.446 10 10 DGCE Cc1nc(Cl)ccc1C(=O)NCc1cccc(Cl)c1O 1159033159 CJBLPRGPOVXTQJ-UHFFFAOYSA-N 311.168 3.332 10 10 DGCE CCc1ccc(CCC(=O)NCc2c(O)cccc2F)cc1 1303878173 MTBFXZBRVMNYFU-UHFFFAOYSA-N 301.361 3.343 10 10 DGCE CC(C)(C)OC(=O)N1CCN(CCN=[N+]=[N-])[C@@](C)(C2CC2)C1 1962303173 DYXPTCKOJPPWND-OAHLLOKOSA-N 309.414 3.018 10 10 DGCE COc1ccc2c(c1)NC1(CCCCC1)CN2CCCCN 76931070 AECFWOWHBANMBF-UHFFFAOYSA-N 303.450 3.369 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNCC1(F)CCOCC1 1964045526 IZVGEWUBZMJWAR-UHFFFAOYSA-N 308.180 3.307 10 10 DGCE CCN(CCCC(=O)O)Cc1cc(Cl)cc(Cl)c1O 1963267775 JXJTUTFNQFRXLQ-UHFFFAOYSA-N 306.189 3.386 10 10 DGCE Cc1cnc([C@H](C)NCc2c(O)cccc2Br)o1 706821468 HFDBMVINOIILLL-VIFPVBQESA-N 311.179 3.302 10 10 DGCE Cc1ncccc1CNCc1c(O)cccc1Br 706857779 AAJGJWQUMBLFJS-UHFFFAOYSA-N 307.191 3.148 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H]1CCC=CCCC1 1180307466 OQJRLJYGRRYUQK-RQQVKIIYSA-N 301.386 3.364 10 10 DGCE O=C(c1ncccc1NCC1CCC1)N1Cc2cccc(O)c2C1 1352496862 XQTXQGNMXBUQQI-UHFFFAOYSA-N 323.396 3.155 10 10 DGCE Cc1cnc(F)cc1C(=O)NCc1c(O)ccc2ccccc12 1472085502 UXAGGAKUTMYMHC-UHFFFAOYSA-N 310.328 3.318 10 10 DGCE CCOCCOCCN1CCCc2cc(OC(F)F)ccc21 1559605435 RPPPUHBSYUUGGP-UHFFFAOYSA-N 315.360 3.094 10 10 DGCE Cc1ccc(C(=O)N[C@@H](C)[C@H]2CC3CCC2CC3)c(O)c1O 1631862725 KTGXVHYNRMLPBK-LFUGVXIPSA-N 303.402 3.351 10 10 DGCE Cc1ccc(F)c2[nH]c(C(=O)NCc3c(O)cccc3F)cc12 1638864125 WKPLEOHWPWBWFF-UHFFFAOYSA-N 316.307 3.390 10 10 DGCE COC(=O)CN(CCCC1CC1)Cc1cc(Cl)ccc1O 1642071897 KUOHKYUOSCTSDO-UHFFFAOYSA-N 311.809 3.211 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccc(CO)cc1 1587547623 OPTYHBRWRYYSEZ-UHFFFAOYSA-N 324.424 3.051 10 10 DGCE COc1ccc2c(ccn2CC(=O)N[C@@H](C)c2ccccc2O)c1 1587447232 MSINQRVLSVLYOP-ZDUSSCGKSA-N 324.380 3.233 10 10 DGCE [N-]=[N+]=NC1CCN(CCc2ccc(Br)cn2)CC1 1912173197 ZUPRCUUUEKTQNL-UHFFFAOYSA-N 310.199 3.161 10 10 DGCE COc1ccc(CNC[C@@H](C)N(C)C(=O)CC2CCC2)cc1C 1666876740 KCOIGEIIUIPEMC-OAHLLOKOSA-N 318.461 3.130 10 10 DGCE Cn1cc(NCc2c(O)cccc2Br)c(Cl)n1 1965904232 SYBDVERLBHHTGA-UHFFFAOYSA-N 316.586 3.154 10 10 DGCE CCN(CC)c1ccc(CN[C@@H]2C[C@H](C)N(C)C[C@@H]2C)cc1F 158705032 XDSHRKJONXCZCY-RLFYNMQTSA-N 321.484 3.490 10 10 DGCE CNCc1ccc(N(CCCO)C(C)C)cc1C(F)(F)F 167371940 VWDYVNOMIXNOLM-UHFFFAOYSA-N 304.356 3.022 10 10 DGCE Cc1cccc(-n2c(C)cc(C(=O)N[C@H](C)[C@@H](C)CO)c2C)c1 151809678 CAXRNCHGYQCVQM-DZGCQCFKSA-N 314.429 3.149 10 10 DGCE CCOC(=O)[C@@H]1CCCN(/N=N/c2ccc(OCC)cc2)C1 1860482826 QLYCFUCPRJNNAU-OYLHUBKDSA-N 305.378 3.359 10 10 DGCE Nc1ccc(CC(=O)NCc2cccc(-c3nccs3)c2)cc1 1865957021 PHCCKKXVDZYONZ-UHFFFAOYSA-N 323.421 3.251 10 10 DGCE C[C@@H](O)CN(Cc1ccccc1)c1ccc([C@@H](C)N)cc1F 1914615667 DZBDVSZSPYEHBJ-ZIAGYGMSSA-N 302.393 3.233 10 10 DGCE CC[C@@H](N)c1ccc(N2CC(N(C)Cc3ccccc3)C2)cc1 1914194501 XUYLHBLNSHOZPY-HXUWFJFHSA-N 309.457 3.417 10 10 DGCE CNCc1ccc(N(Cc2ccccc2)CC(C)(C)O)cc1C 1915408690 XFRHTLULXCHREI-UHFFFAOYSA-N 312.457 3.492 10 10 DGCE CN(C)c1ccc([C@H](CCC(=O)O)NC(=O)OC(C)(C)C)cc1 1927603024 LUGBMSRAJZCCME-AWEZNQCLSA-N 322.405 3.183 10 10 DGCE CC[C@@H](CNC(=O)OC(C)(C)C)C[C@@H](N)c1ccccc1O 1928480949 PJVUFSLWUOUQQO-TZMCWYRMSA-N 308.422 3.333 10 10 DGCE CN[C@H](CCC1CN(C(=O)OC(C)(C)C)C1)c1ccccc1O 1936984173 MFSUARDYMOKPQA-OAHLLOKOSA-N 320.433 3.300 10 10 DGCE CCCN[C@@](CSc1nccs1)(C(=O)O)C(C)(C)C 2142819597 OYWUCTJHOFVRGE-ZDUSSCGKSA-N 302.465 3.104 10 10 DGCE C[C@@H]1CO[C@H](CN(C)Cc2cccc(Br)c2O)C1 1974413097 HNKXNXCFOHTCBF-JQWIXIFHSA-N 314.223 3.012 10 10 DGCE CC1(C)C[C@@H](NC(=O)OC(C)(C)C)CN(c2ccc(N)cc2)C1 1977971549 SQVFOXAWYDXDKM-CQSZACIVSA-N 319.449 3.398 10 10 DGCE CN(C)c1ccc([C@H](O)[C@H]2CCN(Cc3ccccc3)C2)cc1 1988153557 WIGSOVYXGARUPV-ICSRJNTNSA-N 310.441 3.308 10 10 DGCE COC(=O)[C@@H](CC(C)C)NCc1cc(Cl)cc(Cl)c1O 36981025 YUKHYRNGFYWGTB-GFCCVEGCSA-N 320.216 3.376 10 10 DGCE Cc1nn([C@@H](C)c2ccc(N(C)C)cc2)c(N)c1Br 43668735 CNLSFYOMRFAHQF-JTQLQIEISA-N 323.238 3.212 10 10 DGCE C[C@H](N)c1ccc(N(C)CC2(Br)CC2)c(F)c1 2020229332 YPGLJZPONLVDNQ-VIFPVBQESA-N 301.203 3.209 10 10 DGCE CCN(CC)c1ccc(CN[C@H]2CCCCC23OCCO3)cc1 715661972 MDTLBMJLSZMHMW-SFHVURJKSA-N 318.461 3.308 10 10 DGCE Oc1c(F)cc(Br)cc1CN[C@@H]1CC12CCC2 715793704 YINZHTDSFILBJD-LLVKDONJSA-N 300.171 3.326 10 10 DGCE COC[C@@H]1CC[C@H](N(C)c2cc(Cl)c(CN)cc2F)C1 2177383613 OSNGIFAXOJRFSL-PWSUYJOCSA-N 300.805 3.189 10 10 DGCE Cc1cccc(O)c1Cn1nc(CO)c(Cl)c1C(F)(F)F 2079161099 PXXVQPFRJYEPCH-UHFFFAOYSA-N 320.698 3.110 10 10 DGCE Oc1cc(Br)ccc1CN1C[C@H]2CC[C@@](F)(C2)C1 2049317919 KDEUKNPFKRBZJQ-IINYFYTJSA-N 314.198 3.479 10 10 DGCE Cc1cc(O)c([C@@H](C)N(C)C[C@@]2(F)CCOC2)cc1Cl 2286446115 XGIFFQRDGLBZQC-ABAIWWIYSA-N 301.789 3.475 10 10 DGCE CSc1ncc(CNC2=NC[C@H](C3CCC3)CS2)s1 2269100670 RQYRBCNDWCUTQP-JTQLQIEISA-N 313.517 3.474 10 10 DGCE Cc1cc(Br)cnc1C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-] 2269656256 HMLZTZOSJKUPCI-ZJUUUORDSA-N 324.182 3.114 10 10 DGCE CN(C[C@H]1CCC1(F)F)c1ccc(CN)c(Br)c1 2313762384 MBWHTSVUUVFEKX-SNVBAGLBSA-N 319.193 3.389 10 10 DGCE CC[C@@](C)(COC)NCc1ccc(C)c(Br)c1O 2327622623 ZKTXHLWHYDYNPL-AWEZNQCLSA-N 316.239 3.368 10 10 DGCE Cc1ccc(CN2CC[C@H](C)CC2=O)c(O)c1Br 2327604035 VHGKOVSNDPMMKE-VIFPVBQESA-N 312.207 3.222 10 10 DGCE Cc1ccc(CN2C(=O)[C@H]3CCC[C@]32C)c(O)c1Br 2352659678 BCJZEOCPVMCNMB-IAQYHMDHSA-N 324.218 3.364 10 10 DGCE Cc1ccc(NC(=O)NCc2cc(N)ccc2O)cc1Cl 36743705 HNIULQCADXPCEY-UHFFFAOYSA-N 305.765 3.258 10 10 DGCE CC[C@H](Oc1ccc(N)cc1)C(=O)c1cc(OC)ccc1OC 40353860 NXXPPFLCHSALLS-INIZCTEOSA-N 315.369 3.326 10 10 DGCE CC(C)C[C@@H]1CN(c2ccc(OC(F)(F)F)cc2)CCN1 86122631 KEIAIEDSWLZTNQ-GFCCVEGCSA-N 302.340 3.410 10 10 DGCE COc1ccc(O)c(CN[C@H](C)c2cccc([N+](=O)[O-])c2C)c1 89725982 ALLKHQYUEMPIBS-GFCCVEGCSA-N 316.357 3.468 10 10 DGCE O=[N+]([O-])c1ccc(O)c(CNc2nnc(CC3CCCC3)o2)c1 181807939 GECLFLGLCZLSGB-UHFFFAOYSA-N 318.333 3.028 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)NCC1(CCO)CC1 188048163 YLANIUBXIQEQAA-UHFFFAOYSA-N 318.442 3.048 10 10 DGCE O=C(O)c1ccccc1NCc1cc(Br)ccc1O 219873654 CZXXIOKKYDMOFR-UHFFFAOYSA-N 322.158 3.465 10 10 DGCE COc1ccc([C@H](C)NCc2cccc(OC)c2O)cc1F 237229865 HAYNEGZXNKHQJO-NSHDSACASA-N 305.349 3.399 10 10 DGCE CCC(CC)(NC(=O)OC(C)(C)C)C(=O)Oc1ccc(N)cc1 238215802 NYPJACIKJNUCOH-UHFFFAOYSA-N 322.405 3.258 10 10 DGCE CCC[C@]1(CO)CCN(Cc2cc(Cl)c(F)cc2O)C1 293938235 OAJTWNRIKNIRQR-HNNXBMFYSA-N 301.789 3.169 10 10 DGCE COc1cc(N(C)C[C@@H]2CC=CCC2)c([N+](=O)[O-])cc1OC 302194698 WWSHEVXRNCJZHX-GFCCVEGCSA-N 306.362 3.405 10 10 DGCE C[C@H](NCc1ccn(Cc2ccccc2)n1)c1cc(O)ccc1O 389931190 CEQIMJXQSCHWCH-AWEZNQCLSA-N 323.396 3.193 10 10 DGCE O=C(NCc1ccccc1O)N[C@H](c1ccccn1)C1CCC1 528177060 SDMXVTVWMZOCFG-KRWDZBQOSA-N 311.385 3.128 10 10 DGCE CCOc1ccc([C@H]2CN(Cc3ccc(N)cc3)C(=O)O2)cc1 585890507 MDMLOUDICKJNRJ-QGZVFWFLSA-N 312.369 3.361 10 10 DGCE Nc1ccc(OCCN2C[C@H](C3CCCCC3)OC2=O)cc1 585906504 SGTLJARGNHMPRX-MRXNPFEDSA-N 304.390 3.049 10 10 DGCE CN(CC1C[C@@H]2C[C@H]2C1)c1ccc(CN)c(Br)c1 697846676 WRCBCGLWKGKMJA-CHWSQXEVSA-N 309.251 3.390 10 10 DGCE CC[C@H]1OCC[C@H]1CNCc1ccc(Br)cc1O 701143194 SDGPRYBFTFLCSB-SMDDNHRTSA-N 314.223 3.059 10 10 DGCE CCc1cccnc1CNCc1c(O)cccc1Br 706808664 XCRWWBGOHIXZJI-UHFFFAOYSA-N 321.218 3.402 10 10 DGCE CCOc1ccc(CN2CCC[C@@H]([C@@H]3CCOC3)C2)c(O)c1 770374369 MXFJSPUFQPRGLD-GDBMZVCRSA-N 305.418 3.039 10 10 DGCE Cc1cccc(CN(C)[C@H]2CCN(Cc3ccccc3)C2)c1O 775647945 IWQVQUZDZLWBKP-IBGZPJMESA-N 310.441 3.407 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)c2csc(Cl)n2)c1 781924269 AUTSTNMAIKSEAU-ZETCQYMHSA-N 312.778 3.002 10 10 DGCE COc1ccc2c(c1)CCN2Cc1ccnn1-c1ccccc1 790902239 SXNGEKBWABHENL-UHFFFAOYSA-N 305.381 3.444 10 10 DGCE COc1ccc(N(CC[S@@](C)=O)Cc2ccccc2)cc1 798198256 XNLQAQKQYVQUIU-OAQYLSRUSA-N 303.427 3.080 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(C)ccc1F 808093073 HIVACGYGDFNVAL-UHFFFAOYSA-N 308.349 3.255 10 10 DGCE Cc1cc(C(=O)CN2[C@H](C)C[C@H]2C)c(C)n1-c1ccc(F)cn1 829335280 DWWRWJRUOVTJBN-VXGBXAGGSA-N 315.392 3.294 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1 835042969 ZCXGBPKWVQBQJA-SOSXRFRVSA-N 312.457 3.313 10 10 DGCE CN(C)c1ccc(/C=C/CNCc2nnc(C3CC3)s2)cc1 840973531 OJIZLWBVMRTLTG-ONEGZZNKSA-N 314.458 3.285 10 10 DGCE C[C@@H](NC(=O)c1csc(Cc2ccc(N)cc2)n1)C(C)(C)C 846698146 CJAAEXSLISFLCI-LLVKDONJSA-N 317.458 3.481 10 10 DGCE CCc1cccc(CNCCc2cc(OC)ccc2OC)c1O 848894244 HBBICVKJAREURC-UHFFFAOYSA-N 315.413 3.304 10 10 DGCE Cc1cncc(CCN[C@H](C)c2cc(Cl)cc(C)c2O)n1 850548779 AANVRQIIWRZDFK-GFCCVEGCSA-N 305.809 3.346 10 10 DGCE C[C@@H]1C[C@H](N[C@@H]2[C@@H]3C[C@@H]4[C@@H]2OC[C@@H]4C3)c2c(O)ccc(F)c21 866447134 ZDBLWWZOVMRZPC-BDLPKMALSA-N 303.377 3.093 10 10 DGCE C[C@@H](NC(=O)NCC[C@H]1CCC2(CCC2)O1)c1ccccc1O 927748681 XOJPLQOLIDFEPH-ZIAGYGMSSA-N 318.417 3.244 10 10 DGCE Cc1nc(CC2CC2)sc1C(=O)NCc1c(O)cccc1F 928707611 GFEBJIGRIFLILI-UHFFFAOYSA-N 320.389 3.179 10 10 DGCE O=C1CCCc2cc(NC(=O)N3Cc4cccc(O)c4C3)ccc21 931583725 HLUNTBTVESNBMK-UHFFFAOYSA-N 322.364 3.459 10 10 DGCE CC(C)[C@H](Cc1ccccc1)C(=O)NCc1cccc(O)c1O 1123889990 SUDFSLUDMQBODI-INIZCTEOSA-N 313.397 3.229 10 10 DGCE COC(=O)CCCN1CCCc2cc(OC(F)(F)F)ccc21 1191712520 XOEYWIIEOKBYLB-UHFFFAOYSA-N 317.307 3.291 10 10 DGCE COc1ccc(CNC(=O)C23CCC(CC2)C3(C)C)c(O)c1 1348588321 BWAAXKBSUZVSMA-UHFFFAOYSA-N 303.402 3.233 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)C1CCSCC1 1351163313 OEPLIBIORQQRJE-UHFFFAOYSA-N 318.486 3.388 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)[C@H]2C[C@H]3CC[C@H]2C3)cc1 1461346803 SBYAEWYINHDMKF-MPGHIAIKSA-N 316.445 3.026 10 10 DGCE Cn1ccc2c([C@@H]3CNCCN3C(=O)OC(C)(C)C)cccc21 1535976233 JAFJUHWAWYZCPL-INIZCTEOSA-N 315.417 3.060 10 10 DGCE CC(C)Cc1cc(NCc2ccc(N(C)C)c(F)c2)ncn1 1611886777 ZGGVVEBAFZZGPG-UHFFFAOYSA-N 302.397 3.492 10 10 DGCE Cc1cccc(CN(C)C(=O)c2ccc(N=NC(N)=O)cc2)c1 1624286798 OMTWHYGHZJDRDW-UHFFFAOYSA-N 310.357 3.430 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC[C@H]1C=CCC1 1636267981 XBQVIHXAPLDFIF-CVEARBPZSA-N 315.461 3.257 10 10 DGCE O=C(NCc1ccc(O)cc1O)c1ccc(Cl)cc1Cl 1643100754 JHZKIWHCAWFTLY-UHFFFAOYSA-N 312.152 3.335 10 10 DGCE O=C(CCNCc1cc(Cl)ccc1O)Nc1cccc(F)c1 1857854196 YPDBIDCCOKUQBE-UHFFFAOYSA-N 322.767 3.303 10 10 DGCE CCCN1N=C(CC)/C(=C\c2ccc(O)c(OCC)c2)C1=O 1865649969 OGTJFPAESFTPLU-JLHYYAGUSA-N 302.374 3.193 10 10 DGCE COc1ccc(CNC[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)cc1C 1894960810 CGCNUXUGTQJDPM-LSDHHAIUSA-N 320.433 3.006 10 10 DGCE C[C@@H]1CN(c2ccc(C=CC(=O)O)cc2Br)[C@@H]1C 1911979426 ITIWKJDGVFUCFR-NXEZZACHSA-N 310.191 3.392 10 10 DGCE CN(CCCN=[N+]=[N-])S(=O)(=O)c1ccc(Cl)c(Cl)c1 1912181518 OWPFMAWGKKOPNB-UHFFFAOYSA-N 323.205 3.314 10 10 DGCE [N-]=[N+]=NCC1CCN(C(=O)c2ccc(Br)o2)CC1 1912197077 OQIJASIRPCKSGX-UHFFFAOYSA-N 313.155 3.205 10 10 DGCE CN[C@@H](c1ccc(Br)c(C)n1)c1ccccc1O 1924885804 LVXKWWIMFPHJNY-CQSZACIVSA-N 307.191 3.167 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[C@@H](N)c1ccccc1O 1936983733 RYYWYCQYSYPPKE-XJKCOSOUSA-N 320.433 3.285 10 10 DGCE CC(C)(C)OC(=O)N[C@H](COc1ccc(N)cc1)C(F)(F)F 1952840128 FNMISBYWUCSFMV-LLVKDONJSA-N 320.311 3.103 10 10 DGCE CC(C)[C@@H]1C[C@@]1(NC(=O)OC(C)(C)C)c1cc(N)ccc1O 1953007227 CKZGUSWLPBNVRP-SUMWQHHRSA-N 306.406 3.370 10 10 DGCE CN(CC[C@@H]1CCCCN1CCN=[N+]=[N-])C(=O)OC(C)(C)C 1962298877 IHWRYJURMKDSQU-ZDUSSCGKSA-N 311.430 3.408 10 10 DGCE Nc1ccc(CCC(=O)c2ccnn2Cc2ccccc2)cc1 1994395695 MONMJUITDXAKPF-UHFFFAOYSA-N 305.381 3.329 10 10 DGCE CN1CCc2cc(CN[C@H]3CCC=C3Br)ccc21 2076077674 ASIDSXATTOZJKB-AWEZNQCLSA-N 307.235 3.210 10 10 DGCE CCCn1ccc(=NCc2cc(Cl)cc(Cl)c2O)[nH]1 2109460532 PYSSETYFXZMUEA-UHFFFAOYSA-N 300.189 3.340 10 10 DGCE CN[C@H](C)c1sc(N(C)Cc2ccccc2O)nc1Cl 2192593805 KACMDLQSWAVCCU-SECBINFHSA-N 311.838 3.419 10 10 DGCE C[C@H](N)c1ccc(N2CC(O)(c3ccsc3)C2)c(Cl)c1 2193362215 FCRWQSVWCSYDNP-JTQLQIEISA-N 308.834 3.129 10 10 DGCE COc1ccc(N2CC[C@@H](N(C)Cc3ccccc3)C2)c(C=O)c1 2214860870 VPULAMDMSYIYPQ-GOSISDBHSA-N 324.424 3.218 10 10 DGCE NCc1cnc(Sc2nc(-c3ccncc3)cs2)s1 2225898980 BNIAQDCTPMPDSO-UHFFFAOYSA-N 306.441 3.272 10 10 DGCE CN(c1ccc2c(c1)CCC[C@@H]2N)C1CSCCSC1 2237078902 OCOISJPTVTUKFP-INIZCTEOSA-N 308.516 3.308 10 10 DGCE NCc1ccc(N2C[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2)c(Br)c1 2264896240 WDLMGPNCORCAAN-CRWXNKLISA-N 321.262 3.390 10 10 DGCE CC[C@@H]1CN[C@](C)(C2CC2)CN1Cc1cnc(SC)s1 2284675612 BTNZDHYBGOZDJO-DOMZBBRYSA-N 311.520 3.218 10 10 DGCE CC(=O)NC1=NC(=O)C(=Cc2c(Cl)cccc2Cl)S1 2296466064 PJGNGQGGQWVSTJ-UHFFFAOYSA-N 315.181 3.100 10 10 DGCE C[C@@H]1CCCN(C2=NC(=O)C(=Cc3ccccc3O)S2)C1 2297364761 XGCXCIWVIAZGSB-LLVKDONJSA-N 302.399 3.094 10 10 DGCE CC(C)N(C)c1ccc(C=C2C(=O)N(C)c3ccccc32)cn1 2311514243 QDEVGYBZYJOSSR-UHFFFAOYSA-N 307.397 3.443 10 10 DGCE Cc1cc(N(C)Cc2ccc(C)c(Br)c2O)cnn1 2352645164 GURCSLYUCQQFHD-UHFFFAOYSA-N 322.206 3.198 10 10 DGCE Cc1ccoc1C(=O)NCc1ccc(C)c(Br)c1O 2352931816 DKKPNIYBKHSWDJ-UHFFFAOYSA-N 324.174 3.295 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)Cc2ccc(C)s2)c1 103529303 HLXIXZHTDYYYKW-NSHDSACASA-N 305.399 3.191 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[C@@H](N)c1ccccc1O 1894552625 VRKOQFTUFFYKMC-XNRPHZJLSA-N 320.433 3.476 10 10 DGCE CCN(Cc1ccc(OC)cc1)Cc1cc([N+](=O)[O-])ccc1O 173225319 FIUHFBGCBZOFEZ-UHFFFAOYSA-N 316.357 3.331 10 10 DGCE COc1ccc(CN[C@H](C)[C@H](C)NC(=O)CC(C)C)cc1C 1505547938 QXWDWXZGDUBNNJ-CABCVRRESA-N 306.450 3.033 10 10 DGCE C[C@H](N)c1ccc(N2CCCSCC2)c(Br)c1 61696406 CWMKYHQAMCZWIB-JTQLQIEISA-N 315.280 3.412 10 10 DGCE COc1cc(Cl)cc(CN2CCO[C@@H]3CCCC[C@@H]32)c1O 184681942 OHEMTXLBEIOJFJ-UONOGXRCSA-N 311.809 3.198 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc2c1OCC2 1149180003 OTLUDUODMLZTHB-UHFFFAOYSA-N 324.424 3.350 10 10 DGCE C[C@H](Nc1cc(C(N)=O)ccc1Cl)c1cc(O)ccc1O 36943362 IOPWBGJCSKMWLD-QMMMGPOBSA-N 306.749 3.023 10 10 DGCE Cc1ccc([C@H](C)NCC(=O)N2CCCc3ccccc32)c(O)c1 185192795 CVGUVEPHZJMVSV-HNNXBMFYSA-N 324.424 3.331 10 10 DGCE c1cc(N2CCSCC2)ccc1CNC1CCSCC1 79745556 OEBRTEMBWLLSPE-UHFFFAOYSA-N 308.516 3.225 10 10 DGCE CN(C)c1ccc(CN(C[C@H]2CCCO2)[C@@H]2CCSC2)cc1 193454887 IILUOZSUKOVYMW-QZTJIDSGSA-N 320.502 3.239 10 10 DGCE Cc1ccccc1C(=O)N1CCc2cc(N3CCOCC3)ccc21 41121930 UJOGWRXVVOWMIL-UHFFFAOYSA-N 322.408 3.035 10 10 DGCE CCOc1ncccc1CN[C@H](C)c1ccc(F)c(F)c1O 191198850 KRLBGGHAAZPASU-SNVBAGLBSA-N 308.328 3.315 10 10 DGCE O=C1N[C@@H](c2cc(Cl)c3ccccc3c2O)N2CCCC[C@@H]12 91516402 MIYSOTRUHSOVJK-GOEBONIOSA-N 316.788 3.182 10 10 DGCE CCOC(=O)[C@](C)(NCCN=[N+]=[N-])c1ccc(F)cc1Cl 90257184 OHOOSUFNMVQWHR-CYBMUJFWSA-N 314.748 3.157 10 10 DGCE O=C(NCc1ccccc1O)[C@@H]1[C@@H]2Cc3c(Cl)cccc3[C@H]21 528855190 PLEQQKJPYPKTKR-KBRIMQKVSA-N 313.784 3.248 10 10 DGCE CCCCC(=O)N1CCN(c2ccc(OC(C)C)cc2)CC1 243364277 MCDVBCOJPDZTPT-UHFFFAOYSA-N 304.434 3.313 10 10 DGCE CCc1nc([C@@H]2CCCCN2Cc2cc(C)ccc2O)no1 362095205 BLWTYGMOEOCFHE-AWEZNQCLSA-N 301.390 3.373 10 10 DGCE CCOc1ccc(O)c(CNCc2c(F)cc(F)cc2F)c1 815151925 DUHWDILLOGINKK-UHFFFAOYSA-N 311.303 3.498 10 10 DGCE CCOc1cccc(CN2CCOCC23CCCCC3)c1O 825099052 SLXYMPMOADYQEO-UHFFFAOYSA-N 305.418 3.326 10 10 DGCE COC(=O)C1(CNC/C=C\c2ccc(N(C)C)cc2)CCCC1 835048291 PSWTYNSMCMRODJ-SREVYHEPSA-N 316.445 3.089 10 10 DGCE CCS[C@H]1CCCCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 588404986 CGRREVOVBLBQOI-LEJCZOIISA-N 321.442 3.245 10 10 DGCE O=C(/C=C\c1ccccc1Cl)NCc1ccc(O)c(O)c1 588401132 HTLASCRWLSPXHJ-VURMDHGXSA-N 303.745 3.081 10 10 DGCE COC(=O)CC1(NC/C=C/c2ccc(N(C)C)cc2)CCCC1 835055215 XCQLHEDTNKVRFZ-VOTSOKGWSA-N 316.445 3.231 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCCC[C@@H]2[C@H]2CCCN2)cc1 843048120 OAFVERRODSYCKB-KJYWSYJISA-N 313.489 3.372 10 10 DGCE Cc1cc(O)c(CNC[C@@]2(O)CCc3ccccc32)c(Cl)c1 840907685 PFKGSWLOYPDUEY-SFHVURJKSA-N 317.816 3.278 10 10 DGCE CSC1CCC(CNC(=O)NCc2cc(C)ccc2O)CC1 924299833 YZSGDOHSJNIBPD-UHFFFAOYSA-N 322.474 3.422 10 10 DGCE CCN(CC)c1ccc(CNC[C@@]2(O)C[C@H]3C=C[C@H]2C3)cc1F 850374822 ROVHZVTYTYETFY-QOKNQOGYSA-N 318.436 3.089 10 10 DGCE COc1ccc(N2CC[C@H](Nc3ccc([N+](=O)[O-])cc3)C2)cc1 853759306 RXGAHZXXNXWCSG-AWEZNQCLSA-N 313.357 3.294 10 10 DGCE CCN(CC)c1ccc(CN[C@@H]2C[C@H]3CC[C@@H](N3)[C@H]2C)cc1F 925566937 MMGNBWLYQASNLN-MOIQIXESSA-N 319.468 3.291 10 10 DGCE COc1ccc(CN[C@H]2CCN(c3ccc(OC)cc3)C2)cc1 850346284 RQMQNLJSZSLMDV-INIZCTEOSA-N 312.413 3.072 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)[C@H](C)CC(C)C)C2)cc1 855228313 ZMWYXONZXRFUHG-CABCVRRESA-N 304.434 3.072 10 10 DGCE COc1ccc(N(CC(C)C)C[C@H](OC)[C@H]2CCOC2)cc1 851829500 IFNSNMAHWQQCSH-YJBOKZPZSA-N 307.434 3.209 10 10 DGCE C[C@H](COCc1ccccc1)N[C@H](C)c1cc(O)ccc1O 390553029 DZCBDSRIWZKUDS-ZIAGYGMSSA-N 301.386 3.354 10 10 DGCE CC[C@H](Oc1ccccc1F)C(=O)N1Cc2cccc(O)c2C1 871202875 HTEUSWIKXLTUSL-INIZCTEOSA-N 315.344 3.231 10 10 DGCE CCOc1ccc(O)c(CN[C@@H](C)Cc2cccc(O)c2)c1 776174295 HOKHNWGXHTZJIT-ZDUSSCGKSA-N 301.386 3.217 10 10 DGCE Oc1ccc2ccncc2c1CN1CCC=C(Br)C1 799575331 ULHZVMOITQMXNB-UHFFFAOYSA-N 319.202 3.425 10 10 DGCE c1cc2c[nH]nc2cc1CCNCc1ccc2c(c1)CCCO2 1202374404 KLAONIKYDOZLNO-UHFFFAOYSA-N 307.397 3.220 10 10 DGCE Nc1ccc(NC(=O)c2ccc(Br)c(F)c2)cc1 43575862 KMLIXWMDKWLLBH-UHFFFAOYSA-N 309.138 3.423 10 10 DGCE CCN(CC)c1ccc(CNC2(CCO)CCCC2)cc1F 796453457 HANFXSYUYDANNW-UHFFFAOYSA-N 308.441 3.457 10 10 DGCE C[C@@H](NC(=O)c1cc(F)c(F)c(O)c1F)c1ccccc1O 1151885835 JORNFVFQKNTNDZ-SSDOTTSWSA-N 311.259 3.006 10 10 DGCE C[C@@H](C(=O)NCc1ccc(O)cc1O)c1cn(C)c2ccccc12 1162277950 DZANZLGEWXRZEZ-GFCCVEGCSA-N 324.380 3.009 10 10 DGCE Cc1[nH]nc(CNCc2cc(Cl)cc(Cl)c2O)c1C 716460201 SHROLABYIDMTRT-UHFFFAOYSA-N 300.189 3.329 10 10 DGCE Cc1ccc([C@@H](C)Nc2cnn(C)c2Br)c(O)c1 694154037 BXGUNKAETSLJBT-SECBINFHSA-N 310.195 3.370 10 10 DGCE CO[C@@H]1CC[C@@H](C)N(Cc2cc(Cl)cc(C(C)=O)c2O)C1 1196887131 FWACKQCCARECAJ-QMTHXVAHSA-N 311.809 3.248 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CC2CCC1CC2 1452140650 NGOWPJWSXRCHMX-OTZRUECQSA-N 301.386 3.054 10 10 DGCE CC(C)C[C@@H](C)n1nccc1NC(=O)Cc1ccc(O)c(O)c1 1298809019 HUPMHANSSZQZLP-GFCCVEGCSA-N 317.389 3.083 10 10 DGCE C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)NCc1cccc(Cl)c1O 1471348767 BDNCKNWUUYZAGI-XEZLXBQYSA-N 308.809 3.137 10 10 DGCE Cc1ccc(C(=O)Nc2cccc(-c3cccnc3)n2)c(O)c1O 1472017871 KVZJKIAVBWSNBB-UHFFFAOYSA-N 321.336 3.116 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCOc2ccccc21 1557386132 OUJDVBHBDBZBAV-CQSZACIVSA-N 317.772 3.228 10 10 DGCE CCCC[C@H](O)CCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 1556260973 WPZQQFJDNCTPAT-YOEHRIQHSA-N 306.450 3.261 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)Nc1ccccc1NC1CCC1 1639778010 CCEZRHJLZHDOEQ-UHFFFAOYSA-N 312.369 3.243 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N2CCc3ccc(F)cc32)cc1 1639938375 SZYLUSOTMSMVPB-UHFFFAOYSA-N 312.304 3.191 10 10 DGCE Cc1ccc2c(CC(=O)NCc3ccc(O)cc3O)coc2c1 1570462426 SQYKBUNSXBWEKB-UHFFFAOYSA-N 311.337 3.011 10 10 DGCE COc1ccc(CNC/C=C/CNC(=O)[C@H](C)C(C)C)cc1C 1669069325 GGMGTJQVRHCYRD-FYCOFBDGSA-N 318.461 3.058 10 10 DGCE CC(C)[C@@H]1C[C@H]1CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 1686173376 HGUQCNBFCQFVSL-QRTARXTBSA-N 303.450 3.405 10 10 DGCE COc1ccc(Br)c(CNCC2CC(F)C2)c1O 1965947563 YHACVVFTXWANLI-UHFFFAOYSA-N 318.186 3.001 10 10 DGCE CNCc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1C(F)(F)F 167339336 NSTMYWKZGVITTC-QWRGUYRKSA-N 302.340 3.038 10 10 DGCE Cc1c(O)cccc1C(=O)NCCCSc1nccs1 157364227 BRGJQFFZDQXHJJ-UHFFFAOYSA-N 308.428 3.069 10 10 DGCE COc1ccc(O)c(CNC(=O)/C=C/c2c(F)cccc2F)c1 155930289 OJDDHBKYTMUOIJ-SOFGYWHQSA-N 319.307 3.009 10 10 DGCE CC(=O)NCCN=NNc1ccc(OCc2ccccc2)cc1 1860492883 NOLSRIBGNAEOCP-UHFFFAOYSA-N 312.373 3.181 10 10 DGCE CCCCCOc1ccc(/C=C2/C(=O)N(C)N=C2C)cc1OC 1865669669 VEBMLRWIOKQUOO-RVDMUPIBSA-N 316.401 3.496 10 10 DGCE CC[C@@H](N)Cc1c(Sc2nccs2)nc2ccccn12 111588029 NNBAROYYNYNUNR-SNVBAGLBSA-N 304.444 3.222 10 10 DGCE Cc1ccnc(CNCc2ccccc2O)c1Br 1927116984 KDQLBSGVJQISQL-UHFFFAOYSA-N 307.191 3.148 10 10 DGCE CC(C)(C)OC(=O)Nc1nc([C@@H](N)c2ccccc2O)cs1 1928469285 GRLDLMJDCSLFAB-LBPRGKRZSA-N 321.402 3.244 10 10 DGCE Cc1cc(Br)cc(CN2CC[C@](C)(F)C2)c1O 1946919411 KUCSYZZEAONMIV-ZDUSSCGKSA-N 302.187 3.397 10 10 DGCE Nc1cccc(Br)c1N[C@@H]1CC[C@H]2OCC[C@@H]2C1 2033062573 AREHYDBXOWTIAP-GIPNMCIBSA-N 311.223 3.401 10 10 DGCE CC1(F)CCN(c2ccc(CN)c(Br)c2F)CC1 2034878359 DFFGIQJNHNSRAB-UHFFFAOYSA-N 319.193 3.375 10 10 DGCE C[C@@H]1CCOC[C@H]1N(C)Cc1cc(Br)ccc1O 2035128604 YIPZMLONLJONMG-ZWNOBZJWSA-N 314.223 3.012 10 10 DGCE CN(c1ccc(CN)cc1Br)C1CCSCC1 403603000 GFYWAFZRMOFKQZ-UHFFFAOYSA-N 315.280 3.240 10 10 DGCE CCCN[C@H](C)c1cnc(SCC(C)(C)C(=O)OC)s1 2159807909 RTOTZVVRMWRNFV-SNVBAGLBSA-N 316.492 3.495 10 10 DGCE C[C@H]1CN(Cc2cccc(Br)c2O)CC[C@@H](C)O1 694871981 SDXURZIWWVKYMN-MNOVXSKESA-N 314.223 3.154 10 10 DGCE C[C@@H](c1ccccc1O)N(C)c1nc(C(F)(F)F)ns1 2192597251 CYSJCBFQGZMZBW-ZETCQYMHSA-N 303.309 3.460 10 10 DGCE C[C@H](O)c1ccc(N2CC(O)(c3ccsc3)C2)cc1Cl 2193363573 ZRPHNHSRIRIDBJ-JTQLQIEISA-N 309.818 3.163 10 10 DGCE CN1CCCc2cc([C@@H](N)c3coc(Br)c3)ccc21 2106829314 VTCMNBXVTXNPBS-OAHLLOKOSA-N 321.218 3.473 10 10 DGCE C[C@H]1CC[C@@H](CNCc2cc(Cl)cc(Cl)c2O)N1C 2095277093 LHNRNSCOXGYBOX-CABZTGNLSA-N 303.233 3.271 10 10 DGCE Cc1nn(C)c(CNCc2ccc(Cl)cc2O)c1Cl 2232213728 UHCXFPVHCHKTQS-UHFFFAOYSA-N 300.189 3.031 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)c1c(Cl)cncc1Cl 2227695125 GBOKLEDMWMKRTQ-SSDOTTSWSA-N 300.149 3.303 10 10 DGCE [N-]=[N+]=NCCCN[C@@H](C(=O)O)c1cc(Cl)cc(Cl)c1 90259197 YGCWHBPTTVOYRN-SNVBAGLBSA-N 303.149 3.409 10 10 DGCE C[C@@H]1C[C@H](C(=O)NCCc2ccc(O)c(O)c2)CC(C)(C)C1 184232192 VCRYSRCMMNODQU-OCCSQVGLSA-N 305.418 3.219 10 10 DGCE C[C@H]1CN(Cc2ccccc2)C[C@@H]1NCc1ccc(N(C)C)cc1 237681786 SKAXKXRXIWQHLR-UWJYYQICSA-N 323.484 3.363 10 10 DGCE COC(=O)c1ccc(O)c([C@H](C)NCc2ccc(Cl)cn2)c1 273356759 CSBQJPUVJDVZLY-JTQLQIEISA-N 320.776 3.078 10 10 DGCE CN1CC[C@H](N[C@@H]2CCc3cccc(O)c32)[C@H]1c1ccccc1 296966959 RIVSVHUUHRAUJE-FUHIMQAGSA-N 308.425 3.415 10 10 DGCE OCCc1cccc(NCc2cccc(Br)c2O)c1 313162579 ONTIDJSPBHYPTG-UHFFFAOYSA-N 322.202 3.302 10 10 DGCE NCc1ccc(N2CC[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 399743575 ZGZSVGUTZLHSDY-RTWAWAEBSA-N 321.468 3.389 10 10 DGCE CNCc1ccc(N2CC[C@@H](C3CC3)C2)c(Br)c1 400193542 CIEYNSJAFIWKTB-CYBMUJFWSA-N 309.251 3.405 10 10 DGCE C[C@H](O)c1ccc(N2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1 705942977 WJPHCLAWCMNOAI-PWIZWCRZSA-N 322.452 3.308 10 10 DGCE CN(C[C@H]1CCSC1)c1ccc(CO)c(Br)c1 718383720 VLFKRWXFUCPGBX-SNVBAGLBSA-N 316.264 3.131 10 10 DGCE COC[C@H](OC(=O)c1cc(C)n(-c2ccccn2)c1C)C(C)C 747164310 SJILUEOWGRKOMU-INIZCTEOSA-N 316.401 3.317 10 10 DGCE CCC1(NC(=O)NCc2ccc3c(c2)CCCN3C)CCC1 752916837 SMTYKBYLTUNPTE-UHFFFAOYSA-N 301.434 3.201 10 10 DGCE CC(C)C[C@@H]1C(=O)N([C@@H](C)c2ccc(N(C)C)cc2)C(=O)N1C 761576034 AAYDJZOMXKAUBS-XJKSGUPXSA-N 317.433 3.122 10 10 DGCE C[C@H](Cc1ccoc1)N[C@H](C)c1ccc(N2CCOCC2)cc1 766541762 VDFVSKGANPVSMG-HZPDHXFCSA-N 314.429 3.398 10 10 DGCE OCC[C@@H]1CCCCCN1Cc1cc(Cl)cc(F)c1O 793609150 OSHOKYTVYVLGOR-ZDUSSCGKSA-N 301.789 3.312 10 10 DGCE COC(=O)/C=C\c1ccc(N2CCC(C)=C(C)C2)c([N+](=O)[O-])c1 795302591 IVTDAXDXWWBOSW-ALCCZGGFSA-N 316.357 3.328 10 10 DGCE Cc1nc([C@](C)(NCc2ccc(N(C)C)c(C)c2)C2CC2)no1 815123510 BELDWRBSUSRFPC-GOSISDBHSA-N 314.433 3.167 10 10 DGCE C[C@H](N[C@@H]1CC12CCNCC2)c1ccc(Cl)c(Cl)c1O 817976151 HMJLCKSCGRJRKW-JOYOIKCWSA-N 315.244 3.492 10 10 DGCE C[C@H]1CC2(CCNCC2)CN1C/C=C/c1ccc(N(C)C)cc1 818431706 RIHCJXNPGNPKAD-BDUNBXCCSA-N 313.489 3.230 10 10 DGCE Oc1cc2c(cc1CN1CC(c3ccc(Cl)cc3)C1)OCO2 824987783 ADXWAXCZBLPLAT-UHFFFAOYSA-N 317.772 3.374 10 10 DGCE Cn1ncc2c1CC(C)(C)CN(Cc1c(O)cccc1Cl)C2 828019290 SXRWOMGYVAPVIH-UHFFFAOYSA-N 319.836 3.364 10 10 DGCE Cc1cc(O)c(CNC[C@@](C)(O)c2ccccc2)c(Cl)c1 840897111 JNUANPLFPVKADQ-QGZVFWFLSA-N 305.805 3.351 10 10 DGCE COCC1(CCNC2CCN(c3ccc(OC)cc3)CC2)CC1 842728820 KQTYAVLAAHEQCR-UHFFFAOYSA-N 318.461 3.070 10 10 DGCE COc1c([N+](=O)[O-])ccc(CN2CCCC[C@@H]2C2CCC2)c1O 843437536 KGRNAHGZCKUDTH-CQSZACIVSA-N 320.389 3.464 10 10 DGCE Cc1cc(C(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)c(C)n1-c1ccccn1 844108131 RWUXSRXOZYKUNE-HRCADAONSA-N 309.413 3.408 10 10 DGCE CO[C@@H](C)c1nc(CN2CCCc3cc(CN)ccc32)cs1 844218913 FCOGURGQFNIHGF-LBPRGKRZSA-N 317.458 3.262 10 10 DGCE C[C@@H]1CC[C@@H](NCc2ccc(N3CCC(O)CC3)cc2)CS1 850406846 WMBRMEYVPDACPB-GDBMZVCRSA-N 320.502 3.021 10 10 DGCE CC[C@H](N[C@@H]1CCN(c2ccc(OC)cc2)C1)C1CCOCC1 850487137 GJQVORLNWIVZII-APWZRJJASA-N 318.461 3.069 10 10 DGCE COc1ccc(N2CC[C@H](N[C@@H]3CCCc4cccnc43)C2)cc1 850488580 NKDINWXTPUTPOY-QFBILLFUSA-N 323.440 3.336 10 10 DGCE COc1cc(CN2CCC(c3ccon3)CC2)c(O)cc1C 853591186 YKTGUPDPXLWIKU-UHFFFAOYSA-N 302.374 3.077 10 10 DGCE Oc1cc2c(cc1CN1C[C@@]34CCCC[C@]3(COC4)C1)CCC2 853623729 IXUWEEJBRYLZPE-WOJBJXKFSA-N 313.441 3.274 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)NCC[C@@H]1CC1(F)F 856931711 JHBFTBSDJDYUCD-CYBMUJFWSA-N 312.360 3.359 10 10 DGCE CC[C@H](N[C@H]1CC=C(C(=O)OC)C1)c1cccc(Cl)c1O 858471147 BMZVUXAIWIOJML-FZMZJTMJSA-N 309.793 3.348 10 10 DGCE C[C@H](NC[C@H]1CCN1C1CCCC1)c1ccc(N(C)C)cc1 858532283 IMPHVWVDEOOLFM-HNAYVOBHSA-N 301.478 3.420 10 10 DGCE Oc1cccc(Br)c1CN1CCCSCC1 862302543 VWFYIBGNMJHELC-UHFFFAOYSA-N 302.237 3.094 10 10 DGCE COc1ccc(CNC[C@@H](CC(=O)O)C2CCCC2)cc1C 864523540 KRAJSMYMMNBWAX-MRXNPFEDSA-N 305.418 3.374 10 10 DGCE CCO[C@@H](C(=O)N[C@H](C)c1cc(OC)ccc1O)C1CCCC1 866763233 CMDSNJPERKJKKO-SJKOYZFVSA-N 321.417 3.173 10 10 DGCE C[C@H](NC(=O)NCC1(C(F)(F)F)CC1)c1ccccc1O 868601367 NCYAOJOWFDNWQQ-VIFPVBQESA-N 302.296 3.095 10 10 DGCE CCC(CC)n1nc(C)cc1C(=O)N1Cc2cccc(O)c2C1 871203623 ORNLRIPSMOENSW-UHFFFAOYSA-N 313.401 3.414 10 10 DGCE C[C@@H]1C[C@@H](C)CN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 895464937 KVCQORIEYQZOMS-NXEZZACHSA-N 305.399 3.431 10 10 DGCE c1csc(SCCCN[C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)n1 902809428 SGXUUAYXHSJABA-ODXJTPSBSA-N 310.488 3.028 10 10 DGCE CN(C)c1ccc(/C=C\CNCCc2ccc(C(=O)O)cc2)cc1 904010655 LHBZSEADOYRLNK-ARJAWSKDSA-N 324.424 3.296 10 10 DGCE CC[C@H](C)n1nc(NC(=O)NCc2c(O)cccc2F)cc1C 930714801 ADGRACYSTKAZSO-JTQLQIEISA-N 320.368 3.329 10 10 DGCE CC(C)c1ccc(CCC(=O)NCc2cccc(O)c2O)cc1 1123890332 XFIOXVDIOATTJP-UHFFFAOYSA-N 313.397 3.470 10 10 DGCE CO[C@@]1(C)C[C@H]1NC(=O)c1cc(C)ccc1-n1c(C)ccc1C 1148473984 QSGRNQJPGGERNE-MJGOQNOKSA-N 312.413 3.310 10 10 DGCE C[C@@H](C(=O)NCc1ccc2cccnc2c1O)c1cccc(O)c1 1162612647 NUNQWAOESIUGBY-GFCCVEGCSA-N 322.364 3.066 10 10 DGCE C[C@H]1c2sccc2CCN1C(=O)/C=C/c1ccc(O)c(O)c1 1176441452 QPDPKJUNBRHBJY-TZNOJPMFSA-N 315.394 3.318 10 10 DGCE Cc1cc(C)c(C(=O)NCc2c(O)ccc3ccccc23)c(O)n1 1179029279 MVIOVORICKQEPA-UHFFFAOYSA-N 322.364 3.193 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)c2c(C)cccc2F)c1 1252981212 ILPHXOGDHFKAPU-NSHDSACASA-N 303.333 3.339 10 10 DGCE C[C@@H](Oc1ccccc1Cl)C(=O)NCc1c(O)cccc1F 1456101586 SRNLGILEDVZMLP-SNVBAGLBSA-N 323.751 3.268 10 10 DGCE C[C@H](C(=O)NCc1ccc(O)cc1O)c1ccc(Cl)cc1 1469160207 CXXNCKLPURMNTP-JTQLQIEISA-N 305.761 3.171 10 10 DGCE COc1ccc(CN[C@@H](C)CCNC(=O)CC(C)C)cc1C 1503051472 YURRVEGGLFRSKF-HNNXBMFYSA-N 306.450 3.034 10 10 DGCE CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 1595332131 AKJXNWFPOYOGMX-KGLIPLIRSA-N 305.418 3.361 10 10 DGCE C[C@@H](NC(=O)c1cccnc1Br)c1ccccc1O 1611624778 YLBHRPPRODHZGV-SECBINFHSA-N 321.174 3.041 10 10 DGCE C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccsc1 1634016938 LUTRBJPSTCCNSU-VIFPVBQESA-N 302.359 3.402 10 10 DGCE O=C(CSCc1cccs1)NCc1c(O)cccc1F 1638862532 AIUAYFFXEGQMBR-UHFFFAOYSA-N 311.403 3.142 10 10 DGCE CCn1cc(Cl)cc1C(=O)NCc1cc(Cl)ccc1O 1644590737 MTPXBHQWZJASSN-UHFFFAOYSA-N 313.184 3.450 10 10 DGCE C[C@@H](N[C@H](C)c1ccccc1O)c1nc(-c2cccnc2)no1 1655349802 TUGPMXJSURWFLU-VXGBXAGGSA-N 310.357 3.249 10 10 DGCE COc1ccc(CN[C@@H](C)[C@@H](C)NC(=O)CC(C)(C)C)cc1C 1733961587 CWZKOHZVFRBKRM-LSDHHAIUSA-N 320.477 3.423 10 10 DGCE Cc1ccc(-c2nc(=Nc3ccccc3O)c(C(=O)O)c[nH]2)cc1 1859848681 OISKBCHOJWDXFY-UHFFFAOYSA-N 321.336 3.021 10 10 DGCE O=[N+]([O-])c1cc(NN=NCCCn2ccnc2)ccc1Cl 1860491343 IVYOHBUMDFJODA-UHFFFAOYSA-N 308.729 3.314 10 10 DGCE CCCN1N=C(c2ccccc2)/C(=C/c2cccc(O)c2)C1=O 1865654000 DHWXCDGFPUGTNB-LGMDPLHJSA-N 306.365 3.432 10 10 DGCE [N-]=[N+]=NC1CCN(C(=O)c2cc3c(s2)CCSC3)CC1 1912159265 FWNWDEWUORFREG-UHFFFAOYSA-N 308.432 3.452 10 10 DGCE [N-]=[N+]=NCC1CCN(C(=O)c2cc(Cl)c(Cl)[nH]2)CC1 1912164339 WAGYDTHEDGDAEL-UHFFFAOYSA-N 302.165 3.484 10 10 DGCE CO[C@@H]1CCN(Cc2cc(Br)cc(C)c2O)[C@H]1C 1914344969 AAAXIZBLOJGPDC-GXFFZTMASA-N 314.223 3.072 10 10 DGCE C[C@@H](NCc1ncccc1Br)c1ccc(O)cc1O 1927137113 ZDWAOVCWXASDHU-SECBINFHSA-N 323.190 3.106 10 10 DGCE C[C@@H]1[C@H]([C@H](N)c2ccccc2O)CCCN1C(=O)OC(C)(C)C 1936968647 SRFXWFDKULSJSZ-IOASZLSFSA-N 320.433 3.428 10 10 DGCE CC(C)(C)OC(=O)N1CCC(C)(C)[C@H]1[C@H](N)c1ccccc1O 1936975283 QAEYZWJHMMHCAV-HUUCEWRRSA-N 320.433 3.428 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2([C@H](N)c2ccccc2O)C1 1938392333 FVXDIAZFRPAOII-WBHUJUFNSA-N 318.417 3.039 10 10 DGCE Oc1c(Br)cccc1CNC1(C(F)F)CCC1 1942730413 NZPYIUUACLPADN-UHFFFAOYSA-N 306.150 3.432 10 10 DGCE Oc1cc(Br)ccc1CNC[C@@H]1CC[C@H](F)C1 1945237096 OBBFEKDQHUBZFC-SKDRFNHKSA-N 302.187 3.383 10 10 DGCE Cc1cccc(N)c1N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C 1959358632 CYIHDCCRRDLOPB-OCCSQVGLSA-N 305.422 3.387 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](Nc2c(N)cccc2F)C1 1959370178 KOBAVBHWHRQUDE-WDEREUQCSA-N 309.385 3.266 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCN(CCCN=[N+]=[N-])C1 1982245531 JAFOBXKFSXUUBR-KBPBESRZSA-N 323.441 3.408 10 10 DGCE C[C@@H](O)c1ccc(N2CC[C@H]2C(F)F)cc1Br 2004491498 UXENBCKSCUZOSR-HQJQHLMTSA-N 306.150 3.346 10 10 DGCE CC[C@@]1(C)C[C@@H](NCc2ccc(Br)cc2O)CO1 2069118624 UXICESMJLNPIAI-OCCSQVGLSA-N 314.223 3.202 10 10 DGCE Cc1cccc([C@@H](C)n2nc(C(C)C)cc2C(=O)N(C)C)c1O 2070076604 MWAXURVRLHXVFU-CYBMUJFWSA-N 315.417 3.332 10 10 DGCE [N-]=[N+]=NCC1(CNC(=O)c2nc(Cl)sc2Cl)CC1 2078398555 BXVYQPCUMXOHIJ-UHFFFAOYSA-N 306.178 3.270 10 10 DGCE COC(=O)c1sc(C(F)(F)F)c(Br)c1O 2080505593 ZGMORXPJXKAWKT-UHFFFAOYSA-N 305.071 3.022 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CC[C@H]2CCO[C@@H]2C1 2128410090 BPIJKYPRBDCWQD-TVQRCGJNSA-N 302.201 3.310 10 10 DGCE Cc1cc(C)nc(CNCc2c(O)cccc2Br)c1 2137010849 MQSPUTHCGHMAKS-UHFFFAOYSA-N 321.218 3.456 10 10 DGCE N[C@@H](c1ccccc1O)[C@H](O)c1ccsc1C(F)(F)F 2148147961 MYNMBVMROKDRJR-WDEREUQCSA-N 303.305 3.206 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2)CC1 2155549929 CEHAIQPTGPPVOO-LLVKDONJSA-N 314.798 3.194 10 10 DGCE CC1(C)C[C@@H](Sc2nccs2)C[C@@](CO)(NC2CC2)C1 2183539413 SOYUVTODJIXHAZ-IUODEOHRSA-N 312.504 3.297 10 10 DGCE COc1ccc(N2CCC[C@@]2(CN)C(F)(F)F)cc1Cl 2203010860 ONZXSRHCZJGKDQ-GFCCVEGCSA-N 308.731 3.209 10 10 DGCE CN[C@@](CSc1nccs1)(C(=O)O)C1CCCCCC1 2208173512 IAISPUZQMQJHMZ-CQSZACIVSA-N 314.476 3.248 10 10 DGCE C[C@H]1CN([C@H](C)c2cc(Br)ccc2O)[C@H](C)CO1 2218979007 MYKBRTHSMXXQGR-OUAUKWLOSA-N 314.223 3.325 10 10 DGCE O=C1C(=Cc2ccccc2F)SC(=S)N1C[C@@H]1CCCO1 2293631464 SPZIUJWGHLTEIQ-NSHDSACASA-N 323.414 3.206 10 10 DGCE CC1=NN(c2ccc(F)cc2)C(=O)C1=CNc1cccc(O)c1 2297456069 USHOTBAQBQLFQU-UHFFFAOYSA-N 311.316 3.250 10 10 DGCE Cc1ccc(CN(C)[C@H](C)CCCN)c(O)c1Br 2327602161 FPPOPVDDIIPBKA-LLVKDONJSA-N 315.255 3.022 10 10 DGCE CCCOC(=O)c1ccc(N=NN(C)CCC(=O)OCC)cc1 2330158965 HHANJEPABQFDDV-UHFFFAOYSA-N 321.377 3.137 10 10 DGCE Cc1ccc(CNC[C@@H]2[C@H]3[C@H]4C[C@@H]2C[C@H]43)c(O)c1Br 2352675060 BSSUBEWFCDVEHT-ZUWCUPBKSA-N 322.246 3.455 10 10 DGCE Clc1cccc(COc2ccc(N3CCNCC3)cc2)c1 19688493 FXMJHPVJHJPKKL-UHFFFAOYSA-N 302.805 3.329 10 10 DGCE Nc1ccc(C[S@](=O)c2cccc(Br)c2)cc1 55308739 IKRKVLOWAKZKMX-QGZVFWFLSA-N 310.216 3.339 10 10 DGCE CN(C(=O)/C=C/c1cc2ccccc2[nH]c1=O)c1ccccc1 62107420 ZPRAXXIHDVORPD-VAWYXSNFSA-N 304.349 3.204 10 10 DGCE Cc1cccn2c(/N=N\c3cccc(C(=O)O)c3)c(C(=O)O)nc12 71581957 ADNROVQQANWDIE-HNENSFHCSA-N 324.296 3.455 10 10 DGCE CCc1ccc2ccn(CCOc3ccc(N)cc3)c(=O)c2c1 75253528 ZMHZCYJSTANFPC-UHFFFAOYSA-N 308.381 3.225 10 10 DGCE Cc1cc(N2CCC[C@@H](N)C2)ccc1OCCC(F)(F)F 83880684 FMIOQMVXXGITAL-GFCCVEGCSA-N 302.340 3.254 10 10 DGCE CCOc1cccc(CN2CCCC[C@H](N3CCCC3)C2)c1O 92785655 GWEPRZZJEHDDSB-KRWDZBQOSA-N 318.461 3.241 10 10 DGCE CCCN(Cc1nc(-c2ccoc2)no1)Cc1ccccc1O 105609012 JUXOCGYMYXBURS-UHFFFAOYSA-N 313.357 3.447 10 10 DGCE CC[C@@H](N[C@@H]1CCO[C@@H]1C)c1cc(Br)ccc1O 134243315 ZJHCCHLRKOXBPW-OASPWFOLSA-N 314.223 3.373 10 10 DGCE Cc1ccc([C@@H](C)N[C@H](C)Cc2c(C)nn(C)c2C)c(O)c1 185559645 GQZXTGZTHYWXRZ-CHWSQXEVSA-N 301.434 3.333 10 10 DGCE Cc1ccc(O)c([C@H](C)Nc2cc(-n3cnnn3)ccc2C)c1 192767219 WRIIYIQVLYCGFS-ZDUSSCGKSA-N 309.373 3.158 10 10 DGCE Cc1ccc([C@H](C)N[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)c(O)c1 227550994 OWCCWSHCMGNITL-YUTCNCBUSA-N 306.406 3.017 10 10 DGCE Cc1ccc(O)c([C@H](C)N[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)c1 227556679 WRQXKUFGZYGNOR-YUTCNCBUSA-N 306.406 3.017 10 10 DGCE CN(C)c1ccc(/C=C2/N=C(CCc3ccccc3)NC2=O)cc1 253437514 LJGLQIOQWMHHJW-NBVRZTHBSA-N 319.408 3.255 10 10 DGCE CN(Cc1ccc(OCc2ccccc2)cc1O)[C@@H]1CCOC1 273497480 NLMRQQYYZOCXSZ-QGZVFWFLSA-N 313.397 3.192 10 10 DGCE Cc1noc([C@@H]2CCCN2Cc2cc(Cl)c(F)cc2O)n1 293912879 LWMAHAAKWDFTNN-LBPRGKRZSA-N 311.744 3.213 10 10 DGCE Cc1cnc(C)c(NCc2ccc(N3CCSCC3)cc2)n1 302204872 CTIKWRDDGYGZDW-UHFFFAOYSA-N 314.458 3.259 10 10 DGCE Cc1nc(C)c(Br)c(Sc2nccs2)n1 306492581 QHJXHXLQRXLJDF-UHFFFAOYSA-N 302.222 3.464 10 10 DGCE Cc1cc(CNC[C@H](O)C(F)(F)F)c(C)n1-c1ccccc1 319138351 FBQQBEKRNMCPIN-HNNXBMFYSA-N 312.335 3.107 10 10 DGCE Oc1ccc(Cl)cc1CN[C@@H]1CCN(Cc2ccccc2)C1 393658765 CFWFYMFTUPXMJC-QGZVFWFLSA-N 316.832 3.410 10 10 DGCE CC(C)(C)OC(=O)NCC1(NCc2cc(F)ccc2O)CCC1 705643274 KZWKYGFXSQEJCE-UHFFFAOYSA-N 324.396 3.068 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)NCC2CCCCC2)c1 729041349 ORPAUVFFPYQNAX-LBPRGKRZSA-N 306.406 3.341 10 10 DGCE CC[C@@H](NC(=O)c1cc(O)cs1)c1cccc([N+](=O)[O-])c1 749545582 PAPKKMIRRSJVHR-GFCCVEGCSA-N 306.343 3.243 10 10 DGCE CC(C)[C@@H]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 770307410 RYRWDNHEUQBCTC-MRXNPFEDSA-N 306.425 3.140 10 10 DGCE CN1CCN(c2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)CC1 771513478 MBTFKTTUBRVTDW-UHFFFAOYSA-N 310.376 3.121 10 10 DGCE COc1cc(C)c(NC(=O)NCc2ccccc2O)cc1C 772611305 FHNKJYWEJUWXTN-UHFFFAOYSA-N 300.358 3.339 10 10 DGCE CCOc1ccc(O)c(CN[C@H]2COc3ccc(F)cc3C2)c1 808453030 VORIDAMPTZZJIS-OAHLLOKOSA-N 317.360 3.023 10 10 DGCE Oc1c(CN2CC[C@](O)(C(F)(F)F)C2)ccc2ccccc12 816514981 LYIRSSZSUQYCBW-OAHLLOKOSA-N 311.303 3.045 10 10 DGCE Cc1cc(C(=O)N[C@H](C)[C@@H](C)N)c(C)n1-c1ccc(Cl)cc1 834820787 CUZDTAHSRUUHDJ-VXGBXAGGSA-N 319.836 3.213 10 10 DGCE C[C@H](NC/C=C/c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1 835052519 GIYFUMZIVTWPSM-IFABGAQTSA-N 310.441 3.478 10 10 DGCE O=C(NCc1ccc(N2CCCC2)cc1)c1[nH]ccc1C1CC1 837342655 XGIUUATUKYHBPG-UHFFFAOYSA-N 309.413 3.422 10 10 DGCE C[C@H]1CC[C@]2(CCN(C(=O)NCCc3ccc(N)cc3)C2)C1 841959006 KECXVUGUOILCLR-KSSFIOAISA-N 301.434 3.033 10 10 DGCE COc1ccc(N2CC[C@H](N[C@H](C)c3ccccc3O)C2)cc1 850489813 XEBZYAHFMNNNNZ-CABCVRRESA-N 312.413 3.330 10 10 DGCE Cc1ccc(O)c(CNC(=O)N[C@H]2C[C@]2(F)c2ccccc2)c1 858554810 SPKHOKHMPDIPAV-WMZOPIPTSA-N 314.360 3.137 10 10 DGCE Cc1cc(Cl)cc(CN[C@](C)(CO)c2cccc(O)c2)c1O 862432604 KDYNHBNLXWSRML-QGZVFWFLSA-N 321.804 3.057 10 10 DGCE CCOC(=O)C1=CC[C@@H](NCc2cc(Cl)c(C)cc2O)C1 862489530 OKUZLPAJOLNCHS-CYBMUJFWSA-N 309.793 3.096 10 10 DGCE CC[C@H](N[C@@H]1CCN(c2ccc(OC)cc2)C1)[C@H]1CCCOC1 872083641 CTPWDODFAMABKL-FCEWJHQRSA-N 318.461 3.069 10 10 DGCE CC[C@H](NCCC[C@H]1CCOC1=O)c1ccc(N(C)C)cc1 872115554 IFLDHWGUXKLVCV-RDJZCZTQSA-N 304.434 3.137 10 10 DGCE c1cc(N2CCCC2)ccc1CN1CCCC[C@H]1[C@H]1CCNC1 1118016083 TURIBAFLHHTUCO-ICSRJNTNSA-N 313.489 3.251 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCc2ccccc2C1 1126081533 DIMMPJDEDPSBMK-SFHVURJKSA-N 322.452 3.482 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@@H]2CCN2C(C)(C)C)cc1 1136300193 IUOVYLUTIXCIDK-KRWDZBQOSA-N 317.477 3.022 10 10 DGCE CNc1ccc(C(=O)NCc2ccc(OC)cc2O)c(Cl)c1 1155574904 QRDUXXMCDXPZTL-UHFFFAOYSA-N 320.776 3.026 10 10 DGCE CC(C)Cn1cc(C(=O)NCc2c(O)ccc3ccccc23)cn1 1157042103 XBMXLAJLSQZZAY-UHFFFAOYSA-N 323.396 3.328 10 10 DGCE COc1cc(N(C)Cc2scnc2C)c([N+](=O)[O-])cc1OC 1162482015 DCGBFDZMLXABDL-UHFFFAOYSA-N 323.374 3.013 10 10 DGCE Cc1cc(C(=O)N[C@H](C)c2ccccc2O)ccc1[N+](=O)[O-] 1171717377 QSOPVKAWMAVZBM-LLVKDONJSA-N 300.314 3.100 10 10 DGCE CCc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1cc(O)ccc1O 1303225549 LWQAJNHFDVPPRO-DLBZAZTESA-N 311.381 3.080 10 10 DGCE Cc1nc2ccccc2cc1C(=O)N1Cc2cccc(O)c2C1 1587928107 JUMPXTCTYADARI-UHFFFAOYSA-N 304.349 3.405 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)c1cc(Cl)ccc1N 1617046176 ASUDWCVXBOKXLF-UHFFFAOYSA-N 317.820 3.227 10 10 DGCE O=C(NCCCSc1nccs1)c1nccc2occc12 1627199285 ZUKWGLSYQNNNNH-UHFFFAOYSA-N 319.411 3.197 10 10 DGCE CCCC[C@@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 1627464616 PCVZWPLLLMKOJS-CRAIPNDOSA-N 319.493 3.298 10 10 DGCE Cc1ccc(O)c(CNC(=O)[C@H](C)Oc2ccc(F)c(F)c2)c1 1629736541 JAHOOKWZPLGREK-NSHDSACASA-N 321.323 3.063 10 10 DGCE COC(=O)c1ccc(CN[C@H](C)c2ccccc2O)c(F)c1 1655349470 JKRSXYZGTYPMFZ-LLVKDONJSA-N 303.333 3.169 10 10 DGCE COc1ccc(CNCC[C@@H](C)NC(=O)C2(C)CCC2)cc1C 1716166463 JXQUWUXOZFICKR-OAHLLOKOSA-N 318.461 3.178 10 10 DGCE Cc1nnc(N(C)C2CCC2)n1CCCSc1nccs1 1726350631 NMSINVOFTUEZEZ-UHFFFAOYSA-N 323.491 3.214 10 10 DGCE Cc1ccc(O)c(CNCC(=O)Nc2ccc(C)c(Cl)c2)c1 1857857467 JPOAEYMOQDUMRL-UHFFFAOYSA-N 318.804 3.391 10 10 DGCE CCOC(=O)[C@@H]1CCCN(/N=N/c2cc([N+](=O)[O-])ccc2C)C1 1860483610 ATILWDYILHUOMM-QIVXWBPLSA-N 320.349 3.177 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN(Cc2cccc(Br)n2)C1 1912162311 UWEVKKZXJUCWDG-SNVBAGLBSA-N 310.199 3.366 10 10 DGCE [N-]=[N+]=N[C@H]1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)C1 1912202524 IRJSZEDGXOYLMV-VIFPVBQESA-N 321.189 3.067 10 10 DGCE C[C@@H](O)c1ccc(N(Cc2ccccc2)[C@H]2CCOC2)cc1O 1915440675 ZVBOPTUMYHNVQJ-PBHICJAKSA-N 313.397 3.241 10 10 DGCE CN(C)[C@H]1CCC[C@@H]1NCc1cc(Cl)cc(Cl)c1O 1921758007 VIOVSEGWDLSYJQ-STQMWFEESA-N 303.233 3.271 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](CC[C@H](N)c2ccccc2O)C1 1936986447 HYGXCEKENCMGHH-ZFWWWQNUSA-N 320.433 3.429 10 10 DGCE Oc1ccc(Br)cc1CNC[C@H]1CC[C@H](F)C1 1945256778 WMYKXMLFIYOVTG-CABZTGNLSA-N 302.187 3.383 10 10 DGCE CC(C)(C)OC(=O)N1CCO[C@@H](CCCc2ccc(N)cc2)C1 1952455283 AKUXFLAAKFWNIY-INIZCTEOSA-N 320.433 3.227 10 10 DGCE C[C@H]1[C@@H](C)N(c2ccc(N)cc2)CCN1C(=O)OC(C)(C)C 1959561457 XWXIBMXYAJMYJS-OLZOCXBDSA-N 305.422 3.103 10 10 DGCE CC[C@@H](C(=O)O)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 1977837530 GCYLGJFSUHDCBE-AWEZNQCLSA-N 322.405 3.011 10 10 DGCE CCN(C(=O)OC(C)(C)C)[C@H]1CCN(Cc2ccc(N)cc2)C1 1977888780 UREZHJONQXAJJI-INIZCTEOSA-N 319.449 3.100 10 10 DGCE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(Cc2ccc(N)cc2)C1 1977925977 KDBRIEXNIQJCBH-UKRRQHHQSA-N 319.449 3.004 10 10 DGCE CN(Cc1ccccc1)C1CN(c2ccc3c(c2)CCC[C@H]3O)C1 2012681773 VLMQRWBOFPLCCC-OAQYLSRUSA-N 322.452 3.377 10 10 DGCE C[C@H](N)c1ccc(N(C)[C@]2(C)CCOC2)c(Br)c1 2055450547 ZWPCVPMXKHZHOM-IINYFYTJSA-N 313.239 3.084 10 10 DGCE CCC[C@@H]1C[C@H](NCc2c(O)cccc2Br)CO1 2065789730 DDWAZZAGFFTAAN-WDEREUQCSA-N 314.223 3.202 10 10 DGCE C[C@@H](N)c1ccc(N2CC=CCC23COC3)c(Br)c1 2137009167 AVOTVXHLDYHNSL-LLVKDONJSA-N 323.234 3.004 10 10 DGCE C[C@@H](NCc1nn(C)c(Cl)c1Cl)c1cc(F)ccc1O 2150751007 KZKHMYCLVXZZCH-SSDOTTSWSA-N 318.179 3.422 10 10 DGCE CCCc1nc(Sc2ncc(CNC(C)(C)C)s2)n[nH]1 2155333423 YFNGYGAXSFWHRX-UHFFFAOYSA-N 311.480 3.253 10 10 DGCE CN(C)c1ccc(CNc2[nH]c(=N)c(Cl)cc2Cl)cc1 2160470347 RDRJRHHANHXTDT-UHFFFAOYSA-N 311.216 3.479 10 10 DGCE CCN[C@@H](C)c1ccc(N2CC(CF)(OC)C2)c(Cl)c1 2168890002 XHNODLCNEZZPQH-NSHDSACASA-N 300.805 3.185 10 10 DGCE CN1CC[C@@H]2[C@@H]1CCCN2Cc1cc(Cl)cc(Cl)c1O 2183737208 ZEOJPIGIFDCUPN-UONOGXRCSA-N 315.244 3.368 10 10 DGCE Cn1c(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])cc(Cl)c1Cl 2225798626 JSFBWZOURLKRDR-SFYZADRCSA-N 302.165 3.293 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)c1cc(Cl)cnc1Cl 2228452921 WXXXHMIRZDNFOF-QMMMGPOBSA-N 300.149 3.303 10 10 DGCE CC1(C)CCC(S(=O)(=O)N2CCC[C@@H](N=[N+]=[N-])C2)CC1 2239983792 BQQMWQLJFBSQJO-LLVKDONJSA-N 300.428 3.060 10 10 DGCE CC(C)(C)[C@H]1C[C@H](S(=O)(=O)Nc2ccc(O)cc2F)C1 2240473559 OBGXEZFRRJXYSD-HOMQSWHASA-N 301.383 3.098 10 10 DGCE CSc1ncc(CNc2ccc(N)c3nsnc23)s1 2269281747 ZDZRBSJNAGIKFX-UHFFFAOYSA-N 309.445 3.064 10 10 DGCE CSc1ncc(CNc2ncnc(OC(C)C)c2C)s1 2284640376 YEUJIMZCBHTQHC-UHFFFAOYSA-N 310.448 3.363 10 10 DGCE O=c1nc2n(c3ccccc13)CCC2=Cc1ccccc1[N+](=O)[O-] 2296531987 XVJLUFRRDJLDEC-UHFFFAOYSA-N 319.320 3.249 10 10 DGCE C[C@@H](N[C@@H]1CC[C@H]1CNC(=O)OC(C)(C)C)c1ccccc1O 2296871520 SFPXCJZITGNYQQ-VNHYZAJKSA-N 320.433 3.346 10 10 DGCE CCNCc1ccc(N2C[C@@H]3C[C@H]2[C@@H]2C[C@H]32)cc1Br 2329275154 KNLDOWJCFYCFAQ-DCDXPUDHSA-N 321.262 3.403 10 10 DGCE O=C(O)[C@@]12CC[C@@H](C1)N(Cc1cc(Cl)cc(Cl)c1O)C2 2365144583 SFOWBEVGMDVMMG-HZMBPMFUSA-N 316.184 3.138 10 10 DGCE C[C@@H](CC1CC1)NC(=O)NCc1ccc(N2CCCC2)cc1 171851279 MEYMWYRAMDFHHL-AWEZNQCLSA-N 301.434 3.275 10 10 DGCE C[C@@H](NC(=O)CSc1nccs1)c1cccc([N+](=O)[O-])c1 55467293 RNCFCGRBFHLDFA-SECBINFHSA-N 323.399 3.021 10 10 DGCE CC[C@H](N[C@@H]1Cc2ccccc2[C@@H]1O)c1ccc(N(C)C)cc1 178358119 XHWXSRVVSORZFO-ZCNNSNEGSA-N 310.441 3.452 10 10 DGCE Cc1ccc([C@H](C)Nc2ccc(S(C)(=O)=O)cc2)c(O)c1 20564688 APERRPLAHHOVTJ-LBPRGKRZSA-N 305.399 3.277 10 10 DGCE CC(C)(C)COC(=O)/C=C/c1ccc(N2CCOCC2)cc1 66730305 NPBLHGSVRGWAIS-RMKNXTFCSA-N 303.402 3.126 10 10 DGCE Cc1cc2c(NCCOc3ccc(N)cc3)ncnc2s1 110779346 TVIGFYVMXJRBDG-UHFFFAOYSA-N 300.387 3.073 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)N(C)CC1(CO)CC1 189168512 JJGRBACHRYGHFK-UHFFFAOYSA-N 318.442 3.000 10 10 DGCE CN(C)c1ccc(Cl)cc1NC(=O)Cc1ccc(N)cc1 37033867 UMPLYMYKBIOIGA-UHFFFAOYSA-N 303.793 3.169 10 10 DGCE CCCc1ccc(S(=O)(=O)Nc2ccc(O)c(F)c2)cc1 70330016 NYCVFVKBAYQJGE-UHFFFAOYSA-N 309.362 3.285 10 10 DGCE C[C@H]1CO[C@H](C)CN1[C@H](C)c1cc(Br)ccc1O 217779481 MYKBRTHSMXXQGR-HBNTYKKESA-N 314.223 3.325 10 10 DGCE COc1cccc(CN(C[C@@H]2CCCO2)C2CCCC2)c1O 93666029 LHWLAFMORLUIHR-INIZCTEOSA-N 305.418 3.324 10 10 DGCE C[C@H](N[C@@H]1C[C@H]2CC[C@H]1O2)c1ccc(Br)cc1O 248491100 IOFRPKJOJZYGDP-NVBBAKCQSA-N 312.207 3.125 10 10 DGCE O=C(/C=C\c1ccccc1Cl)NCCc1ccc(O)c(O)c1 255881745 PNADMLIHXJLYDJ-VURMDHGXSA-N 317.772 3.123 10 10 DGCE C[C@@H](CC(F)(F)F)C(=O)N1CCOc2cc(N(C)C)ccc21 457612375 MJMHFHXVXYHNBI-JTQLQIEISA-N 316.323 3.067 10 10 DGCE C[C@H]1CC[C@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1O 805866062 FWYCMWWJEYZGMW-WRWORJQWSA-N 303.189 3.297 10 10 DGCE CC[C@@H](N[C@H]1CNCCC1(F)F)c1cccc(Cl)c1O 817979774 FDNSNBMUPKRNKY-NEPJUHHUSA-N 304.768 3.084 10 10 DGCE CCN(C)c1ccc([C@H](C)NCCc2cccnc2OC)cc1 810260399 KIMQKWKBPITXHL-HNNXBMFYSA-N 313.445 3.440 10 10 DGCE CC(C)(C)OC(=O)C1(C)CCN(Cc2cc(F)ccc2O)CC1 843428733 MXJASGFWRMNDFT-UHFFFAOYSA-N 323.408 3.475 10 10 DGCE COc1cc(CN2CCOC[C@@H]2CC2CCC2)c(O)cc1C 840093744 JWGSBOHEFODGTC-INIZCTEOSA-N 305.418 3.100 10 10 DGCE CN(C)CC1(C(=O)NCc2cc(Cl)ccc2O)CCCCC1 846472609 BRSIYDIZARNXEQ-UHFFFAOYSA-N 324.852 3.174 10 10 DGCE O[C@H]1C[C@](NCc2ccc3c(c2)CCCO3)(c2ccccc2)C1 922332610 OTOSBOGFMWFKIZ-PUZFROQSSA-N 309.409 3.151 10 10 DGCE CCCCN(Cc1ccccc1O)C[C@H](OC)[C@H]1CCOC1 852017973 IGAGRPNJRWPKLW-WMZOPIPTSA-N 307.434 3.046 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)NCC[C@@H]2C[C@H]2C2CC2)c1 924334008 AGKGPTFKYPNVTA-GHJWDPDVSA-N 318.417 3.197 10 10 DGCE CC[C@@H](NCC[C@@H](COC)OC)c1cccc(Cl)c1O 850487259 YNBNVKRTBHMLTJ-SMDDNHRTSA-N 301.814 3.138 10 10 DGCE Cc1ccc(Br)cc1C[C@H](O)Cc1ccc(N)cc1 696584647 MXNOAEWFIWNWKC-MRXNPFEDSA-N 320.230 3.486 10 10 DGCE COc1cc2c(cc1F)CN(Cc1cccc(OC)c1O)CC2 777440698 RIDVYJXRVFAUAS-UHFFFAOYSA-N 317.360 3.107 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCOCC2(CC2)C1 783596382 WWYDHXKJBZPIOT-UHFFFAOYSA-N 302.201 3.311 10 10 DGCE C[C@@H]1[C@@H](Nc2ccccc2N)CCCN1C(=O)OC(C)(C)C 1959376925 GRSGFZQIXICRNO-OCCSQVGLSA-N 305.422 3.469 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CN(c2ccc(N)cc2)CC1(C)C 1959532616 PCVMLPKUIVVLRR-CQSZACIVSA-N 305.422 3.008 10 10 DGCE Cc1cnc(Cl)cc1C(=O)NCc1cccc(Cl)c1O 1159041431 MSFSONSDXXVYCU-UHFFFAOYSA-N 311.168 3.332 10 10 DGCE CC(C)c1cccc(CNC(=O)c2c(F)ccc(O)c2O)c1 1306828957 FBMPWJUXPCREMG-UHFFFAOYSA-N 303.333 3.290 10 10 DGCE O=C(NC[C@@H]1C[C@H]1C1CCC1)c1cc2cc(O)c(O)cc2s1 1162738798 LPUPWXOKWHNEOC-RYUDHWBXSA-N 317.410 3.479 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H]1C=CCC1 1300453497 HBJKINKHLKSZIJ-INIZCTEOSA-N 308.381 3.355 10 10 DGCE Oc1ccc(Cl)cc1CNc1ccccc1N1CCOCC1 76272576 GRVYVVCOCFYEKG-UHFFFAOYSA-N 318.804 3.494 10 10 DGCE Cc1cc(CO)ccc1N(C)Cc1cncc(Br)c1 703051716 HZJBXWQECJAWIE-UHFFFAOYSA-N 321.218 3.281 10 10 DGCE Nc1cccc(Br)c1N[C@@H]1c2ccccc2C[C@H]1O 2119877890 YQNIABGZZZUNQD-ZIAGYGMSSA-N 319.202 3.102 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)c1cc(Cl)nc(O)n1 1611764721 UDHPIECDMJYUFU-UHFFFAOYSA-N 318.808 3.072 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@]1(O)CCCC(C)(C)C1 1540518226 FTVNIAXFYBRBJT-IBGZPJMESA-N 318.461 3.042 10 10 DGCE COC(=O)/C=C\c1ccc(N(C)C[C@H]2CC2(C)C)c([N+](=O)[O-])c1 1612651458 ZKKMOQKLHXSHOR-FWPCIQOSSA-N 318.373 3.263 10 10 DGCE Oc1c(F)cc(Br)cc1CN[C@@H]1CCC[C@@H]1F 1909599685 AZAAMHYVVKHGIN-GXSJLCMTSA-N 306.150 3.274 10 10 DGCE Cc1cc(NCc2c(O)cccc2F)nc(-c2cccnc2)n1 1559284641 LGUCGTAEFYNTPX-UHFFFAOYSA-N 310.332 3.304 10 10 DGCE C[C@H](CC(=O)NCc1c(O)cccc1O)c1c[nH]c2ccccc12 1635847361 MNSWVGXNPRBYPR-GFCCVEGCSA-N 324.380 3.389 10 10 DGCE Cc1cc(C(F)(F)F)nc(NCc2c(O)cccc2F)n1 1652252062 GIALFSQMERBGQH-UHFFFAOYSA-N 301.243 3.261 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@@H](C)C1CCC1 1671294995 ZPTLQQIUXFPGBF-CABCVRRESA-N 317.477 3.480 10 10 DGCE CCNCc1ccc(N(Cc2ccccc2)C[C@@H](C)O)c(C)c1 1914637672 LTJHHTZVPORGPB-QGZVFWFLSA-N 312.457 3.492 10 10 DGCE C[C@@H]1C[C@H]([C@@H](N)c2ccccc2O)CCN1C(=O)OC(C)(C)C 1936977541 WMETYRUZNLGRJC-XJKCOSOUSA-N 320.433 3.428 10 10 DGCE COCCNCc1ccc(N(C)CC(F)(F)F)cc1Cl 234646860 SVOYTKZGWDDBEE-UHFFFAOYSA-N 310.747 3.075 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H](OCc2ccc(N)cc2)C1 1952546175 SJCDLQCHNJLESE-OAHLLOKOSA-N 306.406 3.185 10 10 DGCE Cc1ccc(O)c([C@H]2[C@@H](N)CCCN2C(=O)OC(C)(C)C)c1 1952603849 ZYKQXOFZBZOAEW-ZFWWWQNUSA-N 306.406 3.100 10 10 DGCE C[C@@H]1C[C@H]([C@@H](N)c2ccc(N(C)C)cc2)N1C(=O)OC(C)(C)C 1977946320 VDXKJZZYEOJMKG-WQVCFCJDSA-N 319.449 3.150 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2CN(CCCCN=[N+]=[N-])C[C@]2(C)C1 1982240166 BBULLNGPQNYSDY-CZUORRHYSA-N 323.441 3.266 10 10 DGCE CN[C@H](C[C@H]1CC[C@@H]1NC(=O)OC(C)(C)C)c1ccccc1O 1985968354 ZFFBKOCXIZYDPK-VHDGCEQUSA-N 320.433 3.346 10 10 DGCE CC[C@@H](CCNC(=O)OC(C)(C)C)NCc1cccc(C)c1O 1994449911 LWIWHWAVAWTSCE-HNNXBMFYSA-N 322.449 3.484 10 10 DGCE Cc1cccc(CN[C@@H]2CN(C(=O)OC(C)(C)C)C2(C)C)c1O 1994450914 CRPJZJJERDMECY-CQSZACIVSA-N 320.433 3.188 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)CC(F)(F)C(F)(F)F)CC1 2155559047 ATZDFLOHNFXISP-SSDOTTSWSA-N 300.231 3.266 10 10 DGCE CSCCCN1C(=O)C(=Cc2ccccn2)SC1=S 2040489857 QNHOAUXYPOOJQU-UHFFFAOYSA-N 310.469 3.036 10 10 DGCE CO[C@H]1CC[C@H]1N(C)c1ccc([C@@H](C)N)cc1Br 724221008 GFMXUIWQHVDEEC-FZQKWOKYSA-N 313.239 3.082 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CC[C@@H]2C(F)(F)F)c1O 852060891 ZMLYHKMQIDIXRS-LLVKDONJSA-N 307.699 3.385 10 10 DGCE CNCc1cc(CC(C)C)nn1[C@@H](C)c1cc(OC)ccc1O 2070050227 MOPIIWPSVTWFIX-ZDUSSCGKSA-N 317.433 3.125 10 10 DGCE CC(C)c1cnn(Cc2c(O)cccc2Br)c1O 2070238446 IHDOCHWUAYKUBC-UHFFFAOYSA-N 311.179 3.229 10 10 DGCE CCc1nn(Cc2cc(C(F)(F)F)ccc2O)c(N)c1CC 2079637556 ZMGWDEAXQDLRPC-UHFFFAOYSA-N 313.323 3.363 10 10 DGCE CCOC(=O)c1cnc(Sc2ccccc2C(=O)O)s1 2182619868 ONJOGYXDYSGROD-UHFFFAOYSA-N 309.368 3.169 10 10 DGCE NCc1ccc(N2C[C@H]3CC[C@@](F)(C3)C2)cc1Br 2049317828 JAKDUAJCIPZWIO-IINYFYTJSA-N 313.214 3.236 10 10 DGCE CN(CCOC(F)F)Cc1cc(Cl)cc(Cl)c1O 2082823645 SHMJDFCFSUVQEX-UHFFFAOYSA-N 300.132 3.370 10 10 DGCE CC1(C)[C@@H](CN)CCN1Cc1cc(Cl)cc(Cl)c1O 2106892730 JZVUQIACYIMWHY-SNVBAGLBSA-N 303.233 3.258 10 10 DGCE Nc1cc(Br)cc(NCCc2ccc(O)c(O)c2)c1 2225958008 GLCFFQNHMMOAFK-UHFFFAOYSA-N 323.190 3.097 10 10 DGCE Cc1ccc(CN2CC=C[C@H]2CF)c(O)c1Br 2307565491 OEGHERZFJCKMSF-NSHDSACASA-N 300.171 3.173 10 10 DGCE Nc1ccc(C[S@@](=O)Cc2ccc(Br)cc2)cc1 2318718465 JHQCEDDYEAIWMI-SFHVURJKSA-N 324.243 3.480 10 10 DGCE CC[C@]1(C)CC(=O)N1Cc1ccc(C)c(Br)c1O 2327789060 JBVXEJQALZTARW-CQSZACIVSA-N 312.207 3.364 10 10 DGCE Cc1ccc(CNC(=O)[C@@]2(C)C=CCC2)c(O)c1Br 2352945927 DDUHMPSGOOYEFJ-HNNXBMFYSA-N 324.218 3.436 10 10 DGCE CCN1C(=O)/C(=C/C=C\c2ccc([N+](=O)[O-])cc2)SC1=S 33809105 BRJCPHDCOPTSEN-HVSXSXIDSA-N 320.395 3.372 10 10 DGCE C[C@@H](CCc1ccccc1)N[C@@H](C)C(=O)c1ccc(O)c(O)c1 34190057 OCQANZCXFMVTBZ-KBPBESRZSA-N 313.397 3.280 10 10 DGCE Nc1ccc(Oc2ncc(Br)cc2[N+](=O)[O-])cc1 40713471 LMJXQBXCJBUIKS-UHFFFAOYSA-N 310.107 3.127 10 10 DGCE Cc1ccc(CC(=O)NCc2ccc(N(C)C)c(F)c2)s1 58734232 XOVXZXUFPJEEFI-UHFFFAOYSA-N 306.406 3.121 10 10 DGCE CN(C)C[C@H](NCc1c(O)cccc1Cl)c1ccccc1 83551608 VHUGXSWKJWMHAW-INIZCTEOSA-N 304.821 3.438 10 10 DGCE CN(C)c1ccc(CN2CCO[C@@H](c3ccsc3)C2)cc1 93768095 ZPINXTLUUFUSOJ-QGZVFWFLSA-N 302.443 3.388 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CCCOC1 170934590 RGSIRCFLSWNZBN-ZDUSSCGKSA-N 304.415 3.064 10 10 DGCE C[C@H]1C[C@H](C)N(c2ccc(CN)c(Br)c2F)C1 231840776 GSYVEGXPPABATQ-IUCAKERBSA-N 301.203 3.282 10 10 DGCE CC[C@H](NCc1ccc(N2CCCCC2)cc1)[C@H](O)C(F)F 295014295 JWLCVJAOFVIING-HOTGVXAUSA-N 312.404 3.171 10 10 DGCE CO[C@@]1(C)CCN(Cc2cc(Br)cc(C)c2O)C1 311134809 KFCLJROZQJEVKB-AWEZNQCLSA-N 314.223 3.074 10 10 DGCE CC[C@H](C)N1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)CC1 387736288 QLKWDQZESNZWBB-LBPRGKRZSA-N 324.852 3.164 10 10 DGCE C[C@@H](N[C@@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2)c1ccccc1O 400713906 MYKOOPWPGZSYKG-FAXLKDOZSA-N 318.417 3.051 10 10 DGCE CN(CC1(C)CC1)c1cc(Br)c(CN)cc1F 693786585 QEUTUGPBLIDRQR-UHFFFAOYSA-N 301.203 3.283 10 10 DGCE COc1ccc(N2CC[C@H]2CNC(C)C)cc1Br 696401793 FBIZOYGMQHRTDM-LBPRGKRZSA-N 313.239 3.034 10 10 DGCE CN[C@H](C)c1ccc(N2CCO[C@@H](CCF)C2)c(Cl)c1 700574613 ISGZFOFDTYYUDP-YPMHNXCESA-N 300.805 3.185 10 10 DGCE C[C@@]12CN(Cc3ccccc3)C[C@H]1CN(Cc1ccc(N)cc1)C2 702079470 BDJMNSCQEQRETF-FPOVZHCZSA-N 321.468 3.223 10 10 DGCE C[C@H]1CCN(c2ccc([C@@H](C)O)cc2Br)CCO1 720416795 WUOXAGOJFJDEEG-WDEREUQCSA-N 314.223 3.118 10 10 DGCE Cc1cccc(-c2noc(COC(=O)c3cc(O)cs3)n2)c1 732353797 VYJCIGMDFWNZOL-UHFFFAOYSA-N 316.338 3.169 10 10 DGCE COc1ccc2c(c1)CCCN2C(=O)/C=C/c1cncc(C)c1 772029514 MAGCGDBACOVUKF-VMPITWQZSA-N 308.381 3.391 10 10 DGCE CO[C@H](C)c1nsc(N[C@@H](C)c2ccc(N(C)C)cc2)n1 800864766 PXZGLEBXCYQSED-WDEREUQCSA-N 306.435 3.485 10 10 DGCE C[C@H]1[C@H](C)C[C@H]1NCc1ccc(N2CCC(CO)CC2)cc1 813856167 XYCJGIJFIOIYPC-ZRGWGRIASA-N 302.462 3.029 10 10 DGCE C1=C[C@H]2CC[C@H]1[C@@H]1CN(Cc3ccc(N4CCOCC4)cc3)C[C@@H]12 824677397 CZIGBLRVNGATCR-JYAXBFRTSA-N 324.468 3.167 10 10 DGCE COc1cc(Cl)cc(CN2CCO[C@](C)(C3CC3)C2)c1O 826878129 UHUNUNFMLNXGKM-INIZCTEOSA-N 311.809 3.055 10 10 DGCE CCCN1CCN(C(=O)c2cc(O)cs2)c2ccc(F)cc21 834331026 HXYJYILRTQREJT-UHFFFAOYSA-N 320.389 3.470 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1[C@H]2CCC[C@H]21 840360069 LJQAUUNSUXHGNV-RUGDWHBFSA-N 315.461 3.090 10 10 DGCE CC(C)CCc1noc(CN2CCCc3cc(CN)ccc32)n1 843349816 DWPNJNKPWDRSRB-UHFFFAOYSA-N 314.433 3.070 10 10 DGCE COC[C@@H]1CCN1C(=O)c1cc(C)ccc1-n1c(C)ccc1C 843893409 OBIHUUAEJCYWEZ-INIZCTEOSA-N 312.413 3.263 10 10 DGCE COc1cc(Cl)cc(CN[C@@H]2CNc3ccccc3C2)c1O 844904849 CYJNRIZPPCPTAQ-AWEZNQCLSA-N 318.804 3.181 10 10 DGCE CCc1cccc(CNC2CCN(c3ccccn3)CC2)c1O 848892792 HBZZNWFJZNKUIF-UHFFFAOYSA-N 311.429 3.108 10 10 DGCE Oc1ccc(F)cc1CN[C@@H](c1nccs1)C(F)(F)F 862431297 HEYFNPZUILBEAS-JTQLQIEISA-N 306.284 3.381 10 10 DGCE C[C@@H]1O[C@H](C)C[C@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 865030631 BCAZJRRYDAHIJU-RVKKMQEKSA-N 316.445 3.107 10 10 DGCE C[C@]1(CC(=O)N2Cc3cccc(O)c3C2)CC1(Cl)Cl 871206209 WDABLGIZYTULMY-ZDUSSCGKSA-N 300.185 3.208 10 10 DGCE Cc1cccc(O)c1CNCc1ncc(Br)s1 877767329 ZPBZNPXDWJCTFH-UHFFFAOYSA-N 313.220 3.209 10 10 DGCE CN(C)c1ccc(/C=C\CNCCCO[C@@H]2CCCCO2)cc1 922231557 OCXSZLAIDKNUFT-SUOMESGTSA-N 318.461 3.289 10 10 DGCE C[C@H](NC(=O)NC[C@@H]1CC(C)(C)OC1(C)C)c1ccccc1O 927632914 PIWQPOSYQRBAJX-STQMWFEESA-N 320.433 3.346 10 10 DGCE Cc1cc(CC(=O)Nc2ncccn2)c(C)n1-c1ccccc1 1124625159 APCBFAYFLLROHH-UHFFFAOYSA-N 306.369 3.065 10 10 DGCE CC(C)[C@H](NC(=O)c1cccc(O)c1O)c1ccccc1F 1300454916 DSBHJBQFWFFDNL-HNNXBMFYSA-N 303.333 3.364 10 10 DGCE CCN(C(=O)/C=C\c1cccnc1C)c1ccccc1C(=O)OC 1435117992 FHPLRGHBRXJKLM-QXMHVHEDSA-N 324.380 3.243 10 10 DGCE CCOc1ccc(N(CC)Cc2nc(CC3CC3)no2)cc1 1459740472 NODXDVHJZQEPMK-UHFFFAOYSA-N 301.390 3.447 10 10 DGCE CCCn1c(CC(C)C)nnc1N(C)Cc1ccccc1O 1547158109 JEGFAAFSCMMYBO-UHFFFAOYSA-N 302.422 3.229 10 10 DGCE C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)Cc1ccc(O)c(O)c1 1621496398 GPCGAFBHTHZVQE-BBRMVZONSA-N 311.381 3.045 10 10 DGCE COC(=O)[C@@H](N[C@H](C)c1ccccc1O)c1ccccc1F 1648054476 WQAXMUXXTQLPSP-BZNIZROVSA-N 303.333 3.096 10 10 DGCE Cc1ccccc1/C=C1/SC(=S)N(C[C@H]2CCCO2)C1=O 1858587692 VMDCGQOYDXENQV-OZYJXZHSSA-N 319.451 3.375 10 10 DGCE C[C@H]1C[C@H](C)CN(/N=N/c2ccc(N3CCOCC3)cc2)C1 1860487678 JKVJCWSISOZTMR-JSKCELRFSA-N 302.422 3.500 10 10 DGCE Nc1ccc(Cc2ccc(NC(=O)Cc3cscn3)cc2)cc1 1866133290 XVKLFTRKNDBCPQ-UHFFFAOYSA-N 323.421 3.497 10 10 DGCE NC[C@@]12CC[C@H]1CN(c1ccc(OCc3ccccc3)cc1)C2 1899853891 YGLSXUFHXZCZPL-FXAWDEMLSA-N 308.425 3.441 10 10 DGCE Nc1cccc(Br)c1N[C@H]1[C@@H]2[C@H]1CCC2(F)F 1906963303 YTVAMMDGIVTTJA-WHFVKQHSSA-N 303.150 3.487 10 10 DGCE Oc1cc(Cl)ccc1CN[C@@H]1CCOC[C@H]1C(F)(F)F 1916610268 RHEQCLHNDQZVJB-GHMZBOCLSA-N 309.715 3.103 10 10 DGCE CN[C@H](c1ccccc1O)[C@H](C)[C@H](C)NC(=O)OC(C)(C)C 1928466914 GIQUOFKXFFKOKA-XUJVJEKNSA-N 308.422 3.202 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]([C@@H](N)c2ccccc2O)C(C)(C)C1 1936969216 BLBQLPHBTVHQOB-HIFRSBDPSA-N 320.433 3.285 10 10 DGCE CN[C@@H](c1ccccc1O)C1(NC(=O)OC(C)(C)C)CCCC1 1936979358 CBVCKPNISNCXTM-HNNXBMFYSA-N 320.433 3.490 10 10 DGCE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1c1ccc(N)cc1 1959572374 MHOYZHJILBQLFT-QWHCGFSZSA-N 305.422 3.103 10 10 DGCE Cc1cccc(O)c1CN[C@@H]1CN(Cc2ccccc2)C[C@@H]1C 1963063759 FKJLXCPWIYUCGS-QFBILLFUSA-N 310.441 3.311 10 10 DGCE CN1CCc2cc([C@@]3(O)CC[C@H]3OCc3ccccc3)ccc21 1977940402 ZNCFZZGYABLUOL-UXHICEINSA-N 309.409 3.246 10 10 DGCE C[C@H]1CCN(c2ccc(N)cc2)[C@H](CNC(=O)OC(C)(C)C)C1 1977971992 VSXPFTBNLNJCRI-BBRMVZONSA-N 319.449 3.398 10 10 DGCE NCc1cc(F)c(N2CC(CC(F)F)C2)cc1Br 2034861846 TYFGVQGVHFPBQE-UHFFFAOYSA-N 323.156 3.138 10 10 DGCE CN(C[C@@H]1C[C@@H]2C[C@@H]2C1)c1ccc(CN)cc1Br 2045612971 FSZFNGMRBYVRKE-XYYAHUGASA-N 309.251 3.390 10 10 DGCE O=C(O)c1cc(C2CCCC2)nn1Cc1c(O)cccc1F 2069910741 SEPGXBNMIBLHDV-UHFFFAOYSA-N 304.321 3.132 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCC[C@@H]2NCC[C@H]21 2087391038 ZEWAXQASFWJBLO-QWHCGFSZSA-N 301.217 3.025 10 10 DGCE CN1CCc2cc([C@H](N)c3c(Cl)cncc3Cl)ccc21 2163137180 AJLYSMYHEDVNLL-HNNXBMFYSA-N 308.212 3.429 10 10 DGCE CP(C)(=O)[C@@H]1CCCCN1c1c(F)cc(CN)cc1F 2164549066 CGQONVPJJPVCMP-CYBMUJFWSA-N 302.305 3.363 10 10 DGCE C[C@H](N)c1ccc(N(C)Cc2c(Cl)cnn2C)cc1Cl 2168141447 PLVZLWHXUQOXIM-VIFPVBQESA-N 313.232 3.383 10 10 DGCE OCCCN(Cc1ccccc1)c1ccc2c(c1)OC(F)(F)O2 2210830906 SEYXGNCDIGBCPX-UHFFFAOYSA-N 321.323 3.397 10 10 DGCE CC/C=C\CNCc1c(Br)ccc(OC)c1O 2214882999 OOEDUCACZYUSOU-PLNGDYQASA-N 300.196 3.219 10 10 DGCE COc1ccc(Br)c(CN2CC[C@H](C)[C@@H]2C)c1O 2220484059 YLYILLTYMMFWEY-UWVGGRQHSA-N 314.223 3.394 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@H]1NC(=O)c1ccnc(Cl)c1Cl 2225802539 ZLPVLQNSIJNISJ-SFYZADRCSA-N 300.149 3.350 10 10 DGCE Cc1ccc(C=CC(=O)NCCCSc2nccs2)o1 2297570553 RMFVBWINNHQART-UHFFFAOYSA-N 308.428 3.356 10 10 DGCE O=C1C(=Cc2ccsc2)SC(=S)N1C[C@@H]1CCCO1 2323745294 RYLCECMIRKOMOA-JTQLQIEISA-N 311.453 3.128 10 10 DGCE O=C(O)[C@@]1(Sc2nccs2)CS[C@@H](C(F)(F)F)C1 2327014116 MUIZRMOXRCLVTB-XRGYYRRGSA-N 315.363 3.126 10 10 DGCE C[C@@H](NC(=O)CSCc1ccc(N)cc1)c1ccccc1 58237062 VDRFPVDKIXEDMK-CYBMUJFWSA-N 300.427 3.379 10 10 DGCE CCCOc1ccc(N2CC[C@H](CNCCCOCC)C2)cc1 76371052 QJRYHCHRWDAABB-QGZVFWFLSA-N 320.477 3.318 10 10 DGCE CC[C@@H](NCc1cnc[nH]1)c1cc(Br)ccc1O 88750614 DBLWVJPYSKRFNV-GFCCVEGCSA-N 310.195 3.119 10 10 DGCE CC[C@@]1(C)C[C@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 132980898 YYKPKPVJCCJHEY-WMZOPIPTSA-N 318.486 3.292 10 10 DGCE CCOC(=O)[C@@H](NCCCN=[N+]=[N-])c1ccc(Cl)cc1F 161187237 DGTFOQYRJUIHBL-LBPRGKRZSA-N 314.748 3.373 10 10 DGCE CC(C)NCc1ccc(N2CCN(C(C)C)CC2)c(Cl)c1 163958866 IYBQCPBQDWYRIB-UHFFFAOYSA-N 309.885 3.368 10 10 DGCE CCCNCc1ccc(N(C)C[C@H]2CCCN2C)c(Cl)c1 164145523 BJQAZFITORVSBG-OAHLLOKOSA-N 309.885 3.370 10 10 DGCE COc1ccc(O)c(CNC(=O)Nc2nc(C(C)C)cs2)c1 172019417 UZSMNILPMGFWNV-UHFFFAOYSA-N 321.402 3.302 10 10 DGCE O=C(C1=COCCC1)N(Cc1ccco1)Cc1ccccc1O 173671048 MPFAKIXBDPMIHF-UHFFFAOYSA-N 313.353 3.208 10 10 DGCE CS[C@@H](C(=O)NCCc1ccc(N)cc1)c1ccccc1 179043400 MHYOIIITHPTREY-MRXNPFEDSA-N 300.427 3.032 10 10 DGCE CC[C@@H](N[C@H]1CCN(c2ccccc2)C1=O)c1ccccc1O 183312599 PTHJQGAVALXIJF-SJORKVTESA-N 310.397 3.238 10 10 DGCE CN1Cc2cc(NCc3ccc4c(c3)CCN4C)ccc2NC1=O 187467215 OVIOHSPYJFZDGM-UHFFFAOYSA-N 322.412 3.268 10 10 DGCE CC(C)(C)OC(=O)N(CCNCc1cccc(F)c1O)C1CC1 226590880 BOFGBYYAUFVQBB-UHFFFAOYSA-N 324.396 3.020 10 10 DGCE CN[C@H](C)CNC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C 261712462 KCUJIVSISHZTPO-LLVKDONJSA-N 319.836 3.085 10 10 DGCE c1cc2c(cc1CN[C@@H]1CCOC3(CCSCC3)C1)CCO2 269349157 REPIJFVYKPEESS-MRXNPFEDSA-N 319.470 3.156 10 10 DGCE CC[C@H](NC[C@H]1CCc2nccn2C1)c1ccc(N(C)C)cc1 278913160 GZYALINIOSFROP-QAPCUYQASA-N 312.461 3.252 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)Cc1cccc(O)c1 282550061 SGYRMVNBBJRUAS-UHFFFAOYSA-N 313.397 3.469 10 10 DGCE O=C1/C(=C/c2cnn3ccccc23)SC(=S)N1C1CCC1 292283246 ILYFXCBMDZRERG-JYRVWZFOSA-N 315.423 3.088 10 10 DGCE CCCNCc1ccc(N(CCO)Cc2ccccc2)cc1C 302931601 DJZZSJPBSDQILI-UHFFFAOYSA-N 312.457 3.494 10 10 DGCE CCNCc1cc(F)c(N2CCSC[C@@H](C)C2)c(F)c1 379561798 VUNUMUDSOAEFOT-NSHDSACASA-N 300.418 3.264 10 10 DGCE CN(c1ccc(CN)cc1)C1CCN(Cc2ccccc2)CC1 381892063 DXXRNBDRMFWYAR-UHFFFAOYSA-N 309.457 3.246 10 10 DGCE Nc1ccc(OCCCN2C[C@H](C3CCCCC3)OC2=O)cc1 585907315 WWWNFBFOGJEQPO-QGZVFWFLSA-N 318.417 3.439 10 10 DGCE Nc1ncc(F)cc1OCc1ccc(Br)c(F)c1 723410531 RWXJPWGAIGQWKV-UHFFFAOYSA-N 315.117 3.284 10 10 DGCE CN1CCC([C@H]2CCN(Cc3cc4c(cc3O)CCC4)C2)CC1 755780074 MHZPNYNZIJGVEN-SFHVURJKSA-N 314.473 3.045 10 10 DGCE COc1cc(Cl)cc(CN2CCC[C@@H]3COCC[C@H]32)c1O 761203198 KWYNMPPILHLFIQ-BXUZGUMPSA-N 311.809 3.055 10 10 DGCE Cc1ccccc1-n1c(C)cc(C(=O)NCc2ccn(C)n2)c1C 765914820 RCYRRLZZZPQKDK-UHFFFAOYSA-N 322.412 3.066 10 10 DGCE COC(=O)/C=C\c1ccc(N2CC[C@H](C)[C@H](C)C2)c([N+](=O)[O-])c1 766442844 MZUXGIHIGHAHSX-XEBOPQQMSA-N 318.373 3.263 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCCOCC2)cc1 782073208 XAMHJLCOODTGAW-KRWDZBQOSA-N 318.461 3.308 10 10 DGCE CN(C)c1ccc(CNC[C@](C)(O)C2CCCCC2)cc1F 790999491 YHZVGFQNAZAMFP-SFHVURJKSA-N 308.441 3.313 10 10 DGCE Cn1nccc1-c1ccccc1CNCc1ccc2c(c1)CCO2 814291953 HGGQKOQGFORTMI-UHFFFAOYSA-N 319.408 3.312 10 10 DGCE Cc1cc(C(=O)N2CC[C@@H]2C(F)(F)F)c(C)n1-c1ccccn1 820024054 SMFZUMBGGOHWPQ-CYBMUJFWSA-N 323.318 3.266 10 10 DGCE c1cc(N2CCCCC2)ccc1CNCc1noc(C2CC2)n1 824321991 ZPOBKUNRTUDVMH-UHFFFAOYSA-N 312.417 3.227 10 10 DGCE COc1c([N+](=O)[O-])ccc(CNC23CCC(CC2)CC3)c1O 824935159 ALHYGEVYVKAVEF-UHFFFAOYSA-N 306.362 3.121 10 10 DGCE Oc1ccc(-c2ccccc2)cc1CN1CC[C@H](O)C(F)(F)C1 826958447 QBMXKQBCMNINAV-KRWDZBQOSA-N 319.351 3.261 10 10 DGCE Cc1cc(Cl)cc(CN2CCC[C@H](C(=O)NC(C)C)C2)c1O 827686777 GFLFGQCRZVYKGZ-ZDUSSCGKSA-N 324.852 3.091 10 10 DGCE CN(C/C=C/c1ccc(N(C)C)cc1)C[C@@H]1CCCN(C)C1 835026449 WSOWXFMZEVLPMY-FZMUQLTDSA-N 301.478 3.039 10 10 DGCE COc1ccc(N2CC[C@H](N[C@H]3CCO[C@H](C(C)C)C3)C2)cc1 850346250 DEZZPZLCNHPITG-BXWFABGCSA-N 318.461 3.067 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)CCC(C)(C)C)C2)cc1 855231356 LDRZPQFDTHWDCM-AWEZNQCLSA-N 304.434 3.216 10 10 DGCE COc1cccc(O)c1CN[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 858214197 LXUNPZGDLJSDBL-JEBQAFNWSA-N 315.800 3.482 10 10 DGCE COc1cccc(CN[C@@H](c2nccs2)C(F)(F)F)c1O 862432112 RRMMAYJULWXHPC-NSHDSACASA-N 318.320 3.251 10 10 DGCE Cc1cnc(CCNC(=O)N[C@@H](C)c2ccccc2O)c(C)c1 868752028 SEZANKHLKXJSGA-AWEZNQCLSA-N 313.401 3.007 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCO[C@H](C(F)F)CC2)cc1 872253701 DVPSGKNWVYIACI-CWDCEQMOSA-N 310.388 3.122 10 10 DGCE Cc1ccc(O)c(CN(c2ccccn2)[C@H]2CC[C@H](N)CC2)c1 895112934 ZECZQESSFUOCEY-QAQDUYKDSA-N 311.429 3.372 10 10 DGCE COc1cc(Cl)cc(CN2CC[C@@H]([C@H]3CCCO3)C2)c1O 895843813 CRULTQHQPLETIY-BXUZGUMPSA-N 311.809 3.055 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@@H](CO)CCc2ccccc2)c1 903293143 PRMHZOZGQKKFBB-GOEBONIOSA-N 315.413 3.045 10 10 DGCE CO[C@]1(CN[C@H](C)c2ccc(Cl)cc2O)CCSC1 903314385 MTEAMWQAPOSPSV-YGRLFVJLSA-N 301.839 3.218 10 10 DGCE CC[C@@H](NC[C@H]1CNCCC1(F)F)c1ccc(N(C)C)cc1 925782688 MOZOFVJXCUVAFM-GDBMZVCRSA-N 311.420 3.038 10 10 DGCE Cc1nn(-c2ccccc2)c(O)c1[C@@H](O)C(Cl)(Cl)Cl 1088682588 POJMBCWMDGGNLD-SNVBAGLBSA-N 321.591 3.290 10 10 DGCE CC1(F)CCN(Cc2c(O)cccc2Br)CC1 1140098954 UXSPVPRWZIGWCM-UHFFFAOYSA-N 302.187 3.479 10 10 DGCE Cc1cc(C(=O)NCc2ccccc2O)c(-n2cccc2)s1 1189312742 SYAQKEMONGYQHA-UHFFFAOYSA-N 312.394 3.483 10 10 DGCE Cn1c(O)nc2ccc(NCc3ccc(N4CCCC4)cc3)cc21 1331256337 DEUNRPMNZMVFEB-UHFFFAOYSA-N 322.412 3.491 10 10 DGCE Cc1cc(O)c(CN2CCO[C@](C)(C(F)F)C2)c(Cl)c1 1334057730 LIDGSPNKDMXVFJ-AWEZNQCLSA-N 305.752 3.210 10 10 DGCE C[C@@]1(C(F)F)CN(Cc2c(O)ccc(Cl)c2F)CCO1 1350736621 YTAWDILLEQHNAD-ZDUSSCGKSA-N 309.715 3.041 10 10 DGCE Cc1ccc(C(=O)NCC[C@@H]2CCc3ccccc32)c(O)c1O 1450497215 VQACWISPZWTWQB-AWEZNQCLSA-N 311.381 3.256 10 10 DGCE CC[C@@H](C)[C@@H](C)C(=O)N(C)CCN(C)c1ccc(OC)cc1 1461336854 IULAGHYVSXKDHP-HUUCEWRRSA-N 306.450 3.272 10 10 DGCE C[C@@H](NC(=O)c1cnc(-c2ccccc2)[nH]1)c1ccccc1O 1471195095 BLCDKMFCCIDPAY-GFCCVEGCSA-N 307.353 3.273 10 10 DGCE C=COc1ccc(NC(=O)NCc2cccc(OC)c2O)cc1 1476726386 RVZGYZMWVBQYAR-UHFFFAOYSA-N 314.341 3.245 10 10 DGCE CSc1ccc(O)c(C(=O)N[C@H](C)c2ccccc2O)c1 1557967259 YINPKQQTTKOUJQ-SNVBAGLBSA-N 303.383 3.311 10 10 DGCE CCC(CC)C(=O)N(C)C[C@H](C)NCc1ccc(OC)c(C)c1 1571377091 FFYRQABVWBDDNC-HNNXBMFYSA-N 320.477 3.376 10 10 DGCE CN(CCc1cccc(NC(=O)c2cc(O)cs2)c1)C1CC1 1624159963 CVRWYPORVOXNSJ-UHFFFAOYSA-N 316.426 3.343 10 10 DGCE CC[C@@H](C)c1ncc(NC(=O)/C=C\c2ccc(O)c(O)c2)cn1 1635030332 SOJWHXVSXCLDTI-JPVGGKMYSA-N 313.357 3.053 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)c2nccc3occc23)c1 1636066693 RRZNKYLGZAGHDJ-SNVBAGLBSA-N 312.325 3.033 10 10 DGCE CC[C@H](C)CONC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C 1682865592 BUHZDSIIUFYSGZ-ZFWWWQNUSA-N 321.465 3.269 10 10 DGCE COc1ccc(CNCC[C@@H](C)NC(=O)[C@@H]2CC2(C)C)cc1C 1732686683 VFRICPZQXZMSJR-ZBFHGGJFSA-N 318.461 3.034 10 10 DGCE Oc1ccc(Br)cc1CNC[C@@H]1C[C@@]12CC2(F)F 1876068298 HDQYSLJPJWGGQE-JOYOIKCWSA-N 318.161 3.290 10 10 DGCE OCc1ccc(N2CC(OCc3ccccc3)C2)cc1C1CC1 1901155808 FVRBCHFUSGNZCU-UHFFFAOYSA-N 309.409 3.462 10 10 DGCE CC(C)(C)OC(=O)NCC12CC(CCN1c1ccc(N)cc1)C2 1901744904 ZKXIKMUATIFWDX-UHFFFAOYSA-N 317.433 3.152 10 10 DGCE C[C@@H]1CN(c2ccc(C=CC(=O)O)c(Br)c2)[C@@H]1C 1911854815 BVWPSZZSZPBVDW-NXEZZACHSA-N 310.191 3.392 10 10 DGCE CC(C)(CO)N(Cc1ccccc1)c1c(F)cc(CN)cc1F 1915752606 PHORHFWAVTUVHS-UHFFFAOYSA-N 320.383 3.201 10 10 DGCE Cc1cccc(CNCC2(CNC(=O)OC(C)(C)C)CC2)c1O 1939232693 DXZLEXASDOGHCW-UHFFFAOYSA-N 320.433 3.095 10 10 DGCE CN(C)c1ccc([C@H]2[C@@H](N)CCCN2C(=O)OC(C)(C)C)cc1 1952570746 GLZIREVCHSVHGF-HOTGVXAUSA-N 319.449 3.152 10 10 DGCE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2ccc(N)cc2)C1 1959567214 NLVGXGOXBZJOFM-STQMWFEESA-N 305.422 3.008 10 10 DGCE CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)c1ccc(N(C)C)cc1 1959567709 KMXCAGWISKROMG-CABCVRRESA-N 308.422 3.089 10 10 DGCE C[C@H]1CN(CCCCN=[N+]=[N-])C[C@H](C)N1C(=O)OC(C)(C)C 1962301177 UNOKLSOCYDWQIH-STQMWFEESA-N 311.430 3.407 10 10 DGCE CC[C@H](O)CN(Cc1ccccc1)c1ccc2c(c1)CC[C@@H]2N 1986602658 KGXMWPQIUCCKOY-ICSRJNTNSA-N 310.441 3.410 10 10 DGCE CC[C@@H]1[C@H](NCc2cccc(C)c2O)CN1C(=O)OC(C)(C)C 1994452186 XCVRZAFQMKUMOG-HUUCEWRRSA-N 320.433 3.188 10 10 DGCE Nc1ccc(CCNCc2snc(Cl)c2Cl)cc1 2048348878 DNEMHBFWIGBNBK-UHFFFAOYSA-N 302.230 3.364 10 10 DGCE O=C(Nc1ccc(O)c(O)c1)[C@H]1CCC[C@H](C(F)(F)F)C1 2062727152 QLSYIJVUAKJNNX-IUCAKERBSA-N 303.280 3.405 10 10 DGCE CC[C@@]1(C)C[C@@H](NCc2c(O)cccc2Br)CO1 2069118457 SLMAHLCLFNFTCJ-YGRLFVJLSA-N 314.223 3.202 10 10 DGCE CNCc1cc(-c2ccccc2)nn1Cc1cc(OC)ccc1O 2070083447 DLWPXRDFQFVDKD-UHFFFAOYSA-N 323.396 3.032 10 10 DGCE CN(CC1(Br)CC1)c1ccc2c(c1)CCC[C@H]2O 2076270100 SUKGSVBOOXXHKR-CQSZACIVSA-N 310.235 3.420 10 10 DGCE CC1=C(Br)CCN(c2c(F)cc(CO)cc2F)C1 2077214203 MTQGBMHKBSJSDG-UHFFFAOYSA-N 318.161 3.336 10 10 DGCE CC1(c2nn(Cc3c(O)cccc3F)c(N)c2C(F)F)CC1 2079718933 GTRRDUFBTYLIID-UHFFFAOYSA-N 311.307 3.347 10 10 DGCE CN(c1ccc(CN)cc1Br)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21 2116355279 MKPIZOQEQWIEHZ-QCPCCJPKSA-N 321.262 3.389 10 10 DGCE CC[C@H](O)[C@@H]1CCCCN1c1cc(Cl)c(CN)cc1F 2177381319 LTDZOIPJFUZQAO-ZFWWWQNUSA-N 300.805 3.068 10 10 DGCE COc1ccc(N2CCN(Cc3ccccc3)C[C@H]2C)c(C=O)c1 2214853644 KNKHBVDQVTWNRT-MRXNPFEDSA-N 324.424 3.218 10 10 DGCE C[C@H](c1cc(Cl)ccc1O)N(C)C[C@@H](F)[C@@H]1CCOC1 2238367726 OAZJMXQTISHJAZ-JTNHKYCSSA-N 301.789 3.413 10 10 DGCE CCNCc1ccc(N(C)[C@@H](C)CF)cc1Br 2249279360 PRSDFIHGVCZFLF-JTQLQIEISA-N 303.219 3.353 10 10 DGCE [N-]=[N+]=NCC1CCN(Cc2nc(Br)cs2)CC1 2303333798 GDXQEAJJPPRACD-UHFFFAOYSA-N 316.228 3.428 10 10 DGCE COc1cc(Cl)c(C=C2SC(=S)NC2=O)cc1Cl 2303675346 SVGQCJKUJZRYCN-UHFFFAOYSA-N 320.222 3.491 10 10 DGCE CSc1ccc(NC(=O)C=Cc2ccc(O)c(O)c2)cc1 2307982137 PIRYVMRWBVOCMU-UHFFFAOYSA-N 301.367 3.472 10 10 DGCE CCCN1N=C(CC)C(=Cc2ccc(OC)c(OC)c2)C1=O 2332140226 MRUOTYXIMKYUJJ-UHFFFAOYSA-N 302.374 3.105 10 10 DGCE Cc1ccc(CNC(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)c(O)c1Br 2352643785 SGDRSDQQJOTDGW-GDNZZTSVSA-N 324.218 3.125 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@@H]1O[C@H]2CC[C@H]1C2 2352698451 BBTSATWAYXSWQO-QWRKXWFKSA-N 302.201 3.356 10 10 DGCE O=C1NN=C(c2ccccc2)/C1=C1/OC(c2ccccc2)=CS1 159285 HZOGXUYUINVBII-OBGWFSINSA-N 320.373 3.494 10 10 DGCE O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C/C=C/c1ccccc1 33711620 OFAKCWHPAYFKDB-LHQXNBGVSA-N 324.767 3.358 10 10 DGCE C[C@H](NS(=O)(=O)Cc1ccc(N)cc1)c1cccc(Cl)c1 40323781 SVVPHPYXMCQSNV-NSHDSACASA-N 324.833 3.103 10 10 DGCE Cc1cc2c(n1-c1ccc(Br)cn1)CCC[C@@H]2O 41714954 GCZQDDMSZCTJJQ-ZDUSSCGKSA-N 307.191 3.313 10 10 DGCE CCCCS(=O)(=O)NCc1cc(C)n(-c2ccccc2)c1C 62577273 SBVXPAUJTVRMOH-UHFFFAOYSA-N 320.458 3.314 10 10 DGCE FC(F)(F)Oc1ccc(N2CCC[C@@H](NC3CC3)C2)cc1 71197737 VCELWRVEYYSTBO-GFCCVEGCSA-N 300.324 3.306 10 10 DGCE CCC[C@@H](COC)NCc1cccc(Br)c1O 79739139 MUBUYRGIMUMSMJ-NSHDSACASA-N 302.212 3.059 10 10 DGCE CCc1nn(C)c(CN(CC)Cc2ccc(N)cc2)c1Cl 89320791 YTBAXRMQDHJVLO-UHFFFAOYSA-N 306.841 3.240 10 10 DGCE CN(C)c1ccc(CNC(=O)c2scnc2C2CC2)cc1 89603503 GWPHHBODNHWDEI-UHFFFAOYSA-N 301.415 3.017 10 10 DGCE Cc1ccc([C@@H]2CN(Cc3cc(C)c(C)cc3O)CCO2)o1 93864783 VLSQQGRNVRUWJC-SFHVURJKSA-N 301.386 3.484 10 10 DGCE CC(C)CCN(C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 108689933 WAYXHSTWGJECOV-RMKNXTFCSA-N 316.445 3.041 10 10 DGCE COc1ccc(N(CC(=O)NC(C)(C)C)[C@H](C)C2CC2)cc1 111236617 ZMJQATWVJDSQPW-CYBMUJFWSA-N 304.434 3.215 10 10 DGCE CC(=O)CCN(C)C(=O)c1cc(C)ccc1-n1c(C)ccc1C 135589830 AUQFDXCVTXFBIN-UHFFFAOYSA-N 312.413 3.454 10 10 DGCE COc1ccc(N(C)Cc2ccc(C(N)=S)cc2C)cc1 165614069 OIVRGWBRGWPTNP-UHFFFAOYSA-N 300.427 3.274 10 10 DGCE Cc1ccc([C@H](C)NC(=O)/C=C/c2ccc(O)c(O)c2)cc1F 181182403 YYUZPIRLAULXIA-ZCRIDZFUSA-N 315.344 3.436 10 10 DGCE CCc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1cc(C)ccc1O 185682415 KOHVBNFGTMFSKR-GXTWGEPZSA-N 300.406 3.040 10 10 DGCE CCOC(=O)[C@H](C)[C@@H](C)NCc1c(O)ccc2ccccc12 190956372 YZFHRZHCSZRMLO-CHWSQXEVSA-N 301.386 3.223 10 10 DGCE Cc1cc(O)c(CN2CC[C@@](O)(C(F)(F)F)C2)cc1C(C)C 191435198 UHZQXPUGRJIFJW-HNNXBMFYSA-N 317.351 3.323 10 10 DGCE CCNCc1ccc(N(C)CCCOC)cc1Br 233510166 IRQMANMZTBWJHE-UHFFFAOYSA-N 315.255 3.031 10 10 DGCE O=C(NCCCSc1nccs1)[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 247671472 QXKMHAQIHYXUNY-JZRPKSSGSA-N 308.472 3.034 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1C[C@H]2OCCC[C@@H]12 249464265 GGGNWXUOEOIBQP-CYZMBNFOSA-N 302.201 3.356 10 10 DGCE C[C@H](N[C@@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C)c1ccccc1O 366966019 KFJBOBYAPKUAIE-HDMKZQKVSA-N 324.424 3.232 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@H]1CC12CCOCC2 395642290 LIKIENJQIUIYNI-LBPRGKRZSA-N 302.201 3.358 10 10 DGCE CCOc1cccc(CNC[C@@H]2CCN2C2CCCCC2)c1O 527754386 ZEYSAZFIUSJAIG-KRWDZBQOSA-N 318.461 3.288 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H](Cc1ccccc1)C1CC1 588407043 OWBAEHYBEUXPJW-GJBHZFNWSA-N 323.392 3.249 10 10 DGCE CO[C@]1(C)C[C@H]1NCc1cc(Cl)cc(Br)c1O 708198131 XEDIPTXZLBVICQ-ZYHUDNBSSA-N 320.614 3.075 10 10 DGCE CCOc1ccc(CN2CC[C@H](C(C)(C)C)[C@H](O)C2)c(O)c1 757864679 BTCHDWOVSPWHEI-DOTOQJQBSA-N 307.434 3.020 10 10 DGCE Cc1cc(Br)c(O)c(CN2CCO[C@@H](C)[C@@H]2C)c1 781908687 KXKKEUVQFXMZSF-QWRGUYRKSA-N 314.223 3.072 10 10 DGCE Fc1cc(CN[C@@H]2CC[C@@H]2C2CCC2)ccc1N1CCOCC1 800968131 XQAHQCOIJXQIMH-SJLPKXTDSA-N 318.436 3.331 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCOC[C@H]1C 801549470 PGPFJLRRRWFLFZ-GDBMZVCRSA-N 305.418 3.194 10 10 DGCE Cc1cc(Cl)cc(CN2CC[C@@H](N3CCCC3)[C@@H]2C)c1O 809724630 SDBRNNAYCPFWKR-XJKSGUPXSA-N 308.853 3.413 10 10 DGCE CCOc1ccc(O)c(CNC[C@@](C)(OC)c2ccccc2)c1 824780180 HFBJMPHEKSHDLV-LJQANCHMSA-N 315.413 3.442 10 10 DGCE CN(C)c1ccc(/C=C/CNC[C@@H](O)C2CCCCC2)cc1 835037113 NTXPQSKUAAJISG-OVKVCFKUSA-N 302.462 3.297 10 10 DGCE CCOc1ncccc1CNC/C=C/c1ccc(N(C)C)cc1 835042250 FVXWCCXGWZDGPT-FNORWQNLSA-N 311.429 3.349 10 10 DGCE Cc1cc2nc(Cl)cc(NCc3ccc(N(C)C)cc3)n2n1 853093725 JQVMTCGLFWLLNL-UHFFFAOYSA-N 315.808 3.369 10 10 DGCE O=C(O)[C@H]1CCCCCC[C@@H]1NCc1cc(F)cc(F)c1O 904005599 SMJYSRXDECSMRR-JSGCOSHPSA-N 313.344 3.184 10 10 DGCE C[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)CCS1 927260809 NPEMXRJFBLLABR-HIFRSBDPSA-N 321.490 3.178 10 10 DGCE COc1ccc(Br)c(CN2CCC(C)CC2)c1O 1231546925 CPHQVLZTFSHBBG-UHFFFAOYSA-N 314.223 3.395 10 10 DGCE O=C(NC[C@H]1CCC[C@H]1c1ccccc1)c1cccc(O)c1O 1298514747 ZIURPFJMXNWWDH-CABCVRRESA-N 311.381 3.412 10 10 DGCE CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NCc1c(O)cccc1O 1304053462 LOBGSPHTZKWDKV-DCGLDWPTSA-N 321.417 3.088 10 10 DGCE CCOc1ccc(N2CCN(C[C@@H]3CCO[C@H](C)C3)CC2)cc1 1324795087 GJMKPDDKCJNHOE-IAGOWNOFSA-N 318.461 3.022 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@H]1C(F)F 1350928308 CYYVNUVLHJUDRP-AWEZNQCLSA-N 311.376 3.000 10 10 DGCE C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc2c(c1)CCC2 1447176191 NOCOLSSGSSCAMF-AGEOTTOMSA-N 323.392 3.477 10 10 DGCE C[C@@H](NC(=O)Cc1cc2ccccc2c(O)n1)c1ccccc1O 1454808490 WNRFZEWBPOXKRK-GFCCVEGCSA-N 322.364 3.066 10 10 DGCE CCCCCc1cc(C(=O)NCc2cccc(Cl)c2O)n[nH]1 1472316765 GKBHYYNEWRTPCU-UHFFFAOYSA-N 321.808 3.431 10 10 DGCE CC[C@@H]1C[C@H]1CNC(=O)NCc1c(O)ccc2c1CCCC2 1478630093 LJHSCTFIGPFKDV-OCCSQVGLSA-N 302.418 3.116 10 10 DGCE CO[C@H](C)CCC(=O)N(C)Cc1ccc(N2CCCC2)cc1 1531694416 RTFUBXUIBCZCEV-OAHLLOKOSA-N 304.434 3.060 10 10 DGCE COc1ccc(N(CCc2ccccc2)CCn2cncn2)cc1 1616056628 VDMBANVAVOVMOK-UHFFFAOYSA-N 322.412 3.036 10 10 DGCE CN(C[Si](C)(C)C)C(=O)c1cc2cc(O)c(O)cc2s1 1628189480 ZFJYIOVHWJWNJV-UHFFFAOYSA-N 309.463 3.262 10 10 DGCE O=C(/C=C/c1cccc(O)c1)NCc1cc(Cl)ccc1O 1628681582 YJIGMKIYMUODOO-QPJJXVBHSA-N 303.745 3.081 10 10 DGCE C[C@@H](C(=O)NCc1ccc(O)c(O)c1)c1ccc(Cl)cc1 1635958860 BCEZTVACEAZASN-SNVBAGLBSA-N 305.761 3.171 10 10 DGCE COc1cc(F)c(C(=O)NCc2cc(C)ccc2O)c(Cl)c1 1640800302 LIGUDTBFDUJBDM-UHFFFAOYSA-N 323.751 3.432 10 10 DGCE CCN(CC)c1ccc(CNc2cc(C)nc3nc(C)nn23)cc1 1650648573 GZPGATPQRUFFMB-UHFFFAOYSA-N 324.432 3.199 10 10 DGCE CC[C@@H](C)C(=O)N[C@H](C)CCNCc1ccc(OC)c(C)c1 1699083135 YZJIYZPWOBLKGI-UKRRQHHQSA-N 306.450 3.034 10 10 DGCE CCN1N=C(c2ccccc2)/C(=C/c2ccc(OC)cc2)C1=O 1865680032 SWQYATFLJXPLOU-LGMDPLHJSA-N 306.365 3.345 10 10 DGCE Oc1ccc(Br)cc1CN[C@H]1C(F)(F)C12CC2 1876225098 FEVDAFRZAJFCEJ-SNVBAGLBSA-N 304.134 3.042 10 10 DGCE C[C@H](O)c1ccc(N(C)C[C@@H]2C[C@@H]2F)c(Br)c1 1908987215 VYJKKIFTANIOQR-PEXQALLHSA-N 302.187 3.297 10 10 DGCE CN(CCN=[N+]=[N-])CC(=O)Nc1ccc(Cl)c(Cl)c1 1912194324 KGMXXPMZYPAVMC-UHFFFAOYSA-N 302.165 3.174 10 10 DGCE CN(CCCN=[N+]=[N-])C(=O)Cc1ccccc1Br 1912202362 FZDWQHIQAXTGGM-UHFFFAOYSA-N 311.183 3.150 10 10 DGCE Oc1cccc(Br)c1CNC[C@@H]1C(F)(F)C12CC2 1974199789 WPSGPUUMIPTGMR-NSHDSACASA-N 318.161 3.290 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](CNc2ccc(N)cc2)C12CC2 1978584881 OAEZNKVVSOSFEM-CYBMUJFWSA-N 317.433 3.470 10 10 DGCE Cc1cc(CN)ccc1N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 2015066588 YQIIPLDJWPINMR-CTNGQTDRSA-N 321.468 3.164 10 10 DGCE CCCOC1CN(c2ccc([C@H](C)N)c(Br)c2)C1 2040864917 MLWNTJFYSZRROE-JTQLQIEISA-N 313.239 3.084 10 10 DGCE Cc1cccc([C@@H](C)n2nc(C3CCC3)cc2C(=O)O)c1O 2069856068 IKWSXWTVKXWXEL-LLVKDONJSA-N 300.358 3.472 10 10 DGCE CCNC(=O)c1cc(C(C)C)nn1[C@H](C)c1cccc(C)c1O 2070156387 CJLLMAXWLPOZBY-CYBMUJFWSA-N 315.417 3.380 10 10 DGCE CC[C@@H](c1ccc(C)cc1O)n1nc(C(F)(F)F)c(N)c1N 2079041965 BNLJZSSBTULLGR-VIFPVBQESA-N 314.311 3.080 10 10 DGCE CC(C)(O)[C@H]1CCCCN1c1cc(Cl)c(CN)cc1F 2177383960 SSVHOURXSLQPSB-CQSZACIVSA-N 300.805 3.068 10 10 DGCE C[C@@H](O)c1ccc(N2CC[C@H](c3nncs3)C2)cc1Cl 2196553355 CAZVCYPKUJZFGI-ZJUUUORDSA-N 309.822 3.239 10 10 DGCE CCn1ncc(Br)c1NCc1cccc(C)c1O 2219582759 WBDUXQCZQSSQRV-UHFFFAOYSA-N 310.195 3.292 10 10 DGCE CSc1ncc(CN[C@@H]2CCC[C@@H]3CSC[C@@H]32)s1 2257098618 CVYYIAVRRBIFCZ-ADEWGFFLSA-N 300.518 3.486 10 10 DGCE Nc1ccc(C[S@@](=O)Cc2cccc(Br)c2)cc1 2318729777 SOFFWLWXMIIMKU-GOSISDBHSA-N 324.243 3.480 10 10 DGCE C[C@@H](N)c1ccc(N2Cc3cccnc3C2)cc1Br 2336968436 BZUVTRGXYLRBRK-SNVBAGLBSA-N 318.218 3.384 10 10 DGCE C[C@@H](NCc1cc(Br)ccc1O)c1nccs1 106250450 ARIYWCZFCVBYRM-MRVPVSSYSA-N 313.220 3.462 10 10 DGCE Cc1noc([C@H]2CCCN(Cc3cc(Cl)cc(C)c3O)C2)n1 179755914 MXLGBGGAAKXEEZ-LBPRGKRZSA-N 321.808 3.425 10 10 DGCE CN(Cc1cc2c(cc1O)OCO2)[C@@H]1CCc2ccccc2C1 114444888 VHOSFNYHGQXWMY-MRXNPFEDSA-N 311.381 3.110 10 10 DGCE CCNCc1cc(F)c(N(CCOC)[C@@H](C)CC)c(F)c1 62713426 CNKSTOBONTYACB-LBPRGKRZSA-N 300.393 3.326 10 10 DGCE CCc1cc([C@@H]2CCCN2Cc2cccc(OC)c2O)on1 64984410 IQDIYIXWPYXMFJ-AWEZNQCLSA-N 302.374 3.288 10 10 DGCE C[C@H](N[C@H](C)[C@H](O)Cc1ccccc1)c1ccc(F)c(F)c1O 187801473 OGEYJUFJNYMGPG-HWWQOWPSSA-N 321.367 3.313 10 10 DGCE CCc1cc(O)ccc1NS(=O)(=O)/C=C/c1ccccc1 189433970 JECGUDXFBNPRAK-ZHACJKMWSA-N 303.383 3.367 10 10 DGCE COc1cccc(CN(C)[C@@H](C)Cc2ccc(O)cc2)c1O 93324805 IFBYATLEIJMXFA-ZDUSSCGKSA-N 301.386 3.169 10 10 DGCE Cc1cc(Cl)cc(CN2CCS[C@@H]3COCC[C@H]32)c1O 245872750 SBARPEQMOQUNOB-ZIAGYGMSSA-N 313.850 3.060 10 10 DGCE CC[C@H](NC1COCCOC1)c1cc(Cl)cc(Cl)c1O 813880845 QVQBUKQWUWBVKO-ZDUSSCGKSA-N 320.216 3.155 10 10 DGCE CC[C@@H](N[C@H](CCOC)COC)c1cccc(Cl)c1O 810257998 XUZVCHHPLSZKOC-BXUZGUMPSA-N 301.814 3.138 10 10 DGCE CC[C@@H](NCc1nc(CN(C)C)cs1)c1ccccc1O 903222681 IGCBYQYXUGKPMF-CQSZACIVSA-N 305.447 3.151 10 10 DGCE COC(=O)/C=C/c1ccc(N(C)C2CCCC2)c([N+](=O)[O-])c1 733184315 DZAWFSVKUKXIIH-CSKARUKUSA-N 304.346 3.160 10 10 DGCE CCOC(=O)[C@@H]1CCC[C@@H]1NC/C=C\c1ccc(N(C)C)cc1 835055818 ZRCWNFZVZGLUHF-DFOOCIKTSA-N 316.445 3.087 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@@H]2CCCC[C@H]21 588405438 NRCLHUWCRNHVPV-RLKNZVFVSA-N 301.386 3.292 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)C2CC3(C2)CC3(F)F)c1 830540829 NZPGBCMYIAPLQA-YLTRJXTNSA-N 311.328 3.013 10 10 DGCE Oc1cc2c(cc1CN1CCC[C@@H]([C@@H]3CCOC3)C1)CCC2 747830246 LQOYOAPASUBCRM-IAGOWNOFSA-N 301.430 3.129 10 10 DGCE COc1cc(Cl)cc(CN2CC[C@@]3(C2)CC3(F)F)c1O 846118556 XLSBZXUQNIQZGF-ZDUSSCGKSA-N 303.736 3.285 10 10 DGCE COc1ccc(NC(=S)NNc2cccc(F)c2F)cc1 743005274 QWQUDAKUVJBDGR-UHFFFAOYSA-N 309.341 3.287 10 10 DGCE CCc1cccc(NS(=O)(=O)c2cc(F)cc(F)c2O)c1 753016036 HYEXCWJGJQYKGX-UHFFFAOYSA-N 313.325 3.034 10 10 DGCE c1cc(N2CCOCC2)ccc1CNC[C@]12CCCC[C@@H]1C2 922425739 GJYPLUBHBFHKOZ-IEBWSBKVSA-N 300.446 3.193 10 10 DGCE CCCC[C@](C)(F)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855226886 VGFFYITWQZKOCE-KDOFPFPSSA-N 322.424 3.309 10 10 DGCE COc1ccc(CNC[C@]2(c3ccccc3)C[C@H](O)C2)cc1C 922529458 FOJLDABKLSPVGW-KESTWPANSA-N 311.425 3.186 10 10 DGCE CCO[C@@H](C(=O)N(CC)Cc1ccc(N(C)C)cc1)C(C)C 858827220 XTWQNBLIRRLXCT-QGZVFWFLSA-N 306.450 3.162 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)C3CCCCCC3)C2)cc1 855229361 JHVDJTVVCFTIIV-INIZCTEOSA-N 316.445 3.361 10 10 DGCE COc1cccc([C@@H](C)NC[C@@H]2CCN2C2CCCCC2)c1O 858464171 ILCFFLXMAUIIMK-ZBFHGGJFSA-N 318.461 3.458 10 10 DGCE Cc1cc(O)c(CNCC[C@H]2COc3ccccc3O2)cc1C 765265995 KJSAHKXEMMHGFH-INIZCTEOSA-N 313.397 3.329 10 10 DGCE Cc1ccc(CS(=O)(=O)N[C@@H](C)c2ccccc2O)c(F)c1 867836225 JZNCASIMBBPJBI-LBPRGKRZSA-N 323.389 3.020 10 10 DGCE C[C@H](NCCOC(F)(F)C(F)(F)F)c1cc(F)ccc1O 872111080 YRIPPURMLITKQW-ZETCQYMHSA-N 317.229 3.354 10 10 DGCE CCOc1ccc(O)c(CNC[C@H]2CCC3(CCC3)CO2)c1 886318370 RGPXFXQPWHZPEP-MRXNPFEDSA-N 305.418 3.230 10 10 DGCE CN(C)c1ccc(CNC(=O)c2cc(C(F)(F)F)ccn2)cc1 1124479479 DOXOZILOJTYPNR-UHFFFAOYSA-N 323.318 3.096 10 10 DGCE O=C(Nc1ccnn1C1CCC1)c1ccc(C2=S=CC=C2)o1 1134598588 IUXCYVWKIJHFNO-UHFFFAOYSA-N 313.382 3.079 10 10 DGCE O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@H]1C(F)(F)F 897796959 IAOZCIUIMKWDFN-NSHDSACASA-N 317.288 3.089 10 10 DGCE Cc1cccc(N)c1N[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 1959371346 MHHDKBKXJXDFDV-QWHCGFSZSA-N 305.422 3.435 10 10 DGCE Cc1c(C(=O)N[C@H](C)c2ccccc2O)nc(O)c2ccccc12 1302533039 ZAQAORYQHPNSLX-GFCCVEGCSA-N 322.364 3.445 10 10 DGCE c1ccc2c(c1)CCO[C@H]2CCNCc1ccc2c(c1)CCO2 1179665483 CWQWAVUKKBRMMI-FQEVSTJZSA-N 309.409 3.415 10 10 DGCE CCOc1cccc(CNCCOCc2ccccc2)c1O 390089923 IKHQUEDWPFFJTN-UHFFFAOYSA-N 301.386 3.097 10 10 DGCE O=C(NCc1cccc(Cl)c1O)c1c(F)ccnc1Cl 1180419624 BKYPWYHOYSIIDR-UHFFFAOYSA-N 315.131 3.163 10 10 DGCE CC/C(C)=C/C(=O)N[C@H]1C[C@@H](NCc2ccc(OC)c(C)c2)C1 1265536959 GQGXIOLVEAOELG-GHABFMGASA-N 316.445 3.097 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)[C@H]1CCN(C)[C@@H]1CC 1297004868 BFYLBVOJVWCSJG-DLBZAZTESA-N 318.461 3.251 10 10 DGCE Cc1cc(C)cc(CCNC(=O)c2ccc(N=NC(N)=O)cc2)c1 1293729626 KROCVFVPCXKVRR-UHFFFAOYSA-N 324.384 3.438 10 10 DGCE O=C(Nc1c(Cl)cccc1Cl)c1cc(O)c(O)c(O)c1 1865876544 RUNOLMBIFOUEFO-UHFFFAOYSA-N 314.124 3.363 10 10 DGCE Cc1nc(NCc2ccc3cccnc3c2O)ccc1[N+](=O)[O-] 1472810244 GEZWCSKJTGFNKV-UHFFFAOYSA-N 310.313 3.164 10 10 DGCE C[C@H]1CC[C@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)C1 1556468173 BHZFRGLZSDJEBI-UWVGGRQHSA-N 305.399 3.479 10 10 DGCE COc1ccc(CNC(=O)Cc2ccc(C)c(Cl)c2)c(O)c1 1635042841 UKCKILZATGBYBE-UHFFFAOYSA-N 319.788 3.222 10 10 DGCE CN(Cc1ccccc1O)C(=O)NCc1cccc(F)c1F 1637370389 DYRGXWPUJKIBAC-UHFFFAOYSA-N 306.312 3.012 10 10 DGCE Nc1ccc(NS(=O)(=O)C=Cc2ccc(Cl)cc2)cc1 1912053575 SPHHPBVXZUINDZ-UHFFFAOYSA-N 308.790 3.335 10 10 DGCE [N-]=[N+]=N[C@H]1CCN(CC(=O)Nc2ccc(Cl)c(Cl)c2)C1 1912160451 WIEAWILCWADADU-VIFPVBQESA-N 314.176 3.317 10 10 DGCE COc1ccc(CN[C@@H](C)CNC(=O)C(C)(C)C2CC2)cc1C 1662315094 UUDSLXNDTHXYMH-AWEZNQCLSA-N 318.461 3.034 10 10 DGCE CC1(C)CN(c2c(F)cc(/C=C/C(=O)O)cc2F)CCS1 158941469 XXFOOVBHRUWRED-ONEGZZNKSA-N 313.369 3.394 10 10 DGCE C[C@]1(C(=O)NCc2ccc(O)c(O)c2)CCCc2ccccc21 158992199 POKGPEODWDTRHZ-IBGZPJMESA-N 311.381 3.008 10 10 DGCE O=C1/C(=C\c2cccc(F)c2)SC(=S)N1C[C@@H]1CCCO1 1858587433 BJJPAXMMXXTKMA-OXBCTQFSSA-N 323.414 3.206 10 10 DGCE COC[C@H]1CC[C@H](NCc2cc(Br)ccc2O)C1 1918701504 OQTWXGVSUIYVRU-GWCFXTLKSA-N 314.223 3.059 10 10 DGCE Cc1cccc(CNCc2ccc(Br)cn2)c1O 1927100740 CEUMQEDFXXWVJB-UHFFFAOYSA-N 307.191 3.148 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H]1C[C@H](N)c1ccccc1O 1928469218 FXJLQJTYEVIDNU-JSGCOSHPSA-N 306.406 3.182 10 10 DGCE CC(C)(C)OC(=O)N1CCCC[C@H]1COc1ccc(N)cc1 1951320465 UJMAYIYDZAIVSR-AWEZNQCLSA-N 306.406 3.437 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@]2([C@@H](N)c3ccccc3O)C[C@H]2C1 1977094017 SMLKTYWMAYLHGL-QITLCBANSA-N 318.417 3.039 10 10 DGCE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2ccc(N)cc2)C1 1977969803 FRUGCXJIGALXCX-KBPBESRZSA-N 319.449 3.398 10 10 DGCE Cc1ccc(O)c([C@H](C)NC[C@H]2C[C@@H]2NC(=O)OC(C)(C)C)c1 1978010204 YQNVNHPQTMDWBZ-GUTXKFCHSA-N 320.433 3.264 10 10 DGCE CC(C)(C)OC(=O)N1CC([C@@H]2CCCCN(CCN=[N+]=[N-])C2)C1 1982245945 OHFDUEIGQAOEPE-CYBMUJFWSA-N 323.441 3.266 10 10 DGCE [N-]=[N+]=NCCCN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1 1982247277 GAODPUPTDJIRCZ-UHFFFAOYSA-N 313.283 3.203 10 10 DGCE C[C@@H](CN[C@@H](C)c1ccccc1O)C(=O)OCc1ccccc1 1989688071 XUDZWEQLAGIIKW-GJZGRUSLSA-N 313.397 3.422 10 10 DGCE C[C@@H](CO)N(Cc1ccccc1)c1c(F)cc([C@@H](C)N)cc1F 1990445451 TUMLQWDAMOOCBC-QWHCGFSZSA-N 320.383 3.372 10 10 DGCE CCN(CC)C(=O)[C@@H](C)NCc1cc(Cl)cc(Cl)c1O 37126655 RTGGFSDEEDOANP-SECBINFHSA-N 319.232 3.046 10 10 DGCE CC[C@H]1[C@@H](NCc2cccc(C)c2O)CN1C(=O)OC(C)(C)C 1994452185 XCVRZAFQMKUMOG-GJZGRUSLSA-N 320.433 3.188 10 10 DGCE [N-]=[N+]=NC[C@H]1CCN(C(=O)c2cc(Br)cs2)C1 2004866865 AJTUTWINXKUVIJ-SSDOTTSWSA-N 315.196 3.283 10 10 DGCE CC(C)(F)C1CN(c2ccc(CO)cc2Br)C1 2009110929 ZNYYEOPVGACDSY-UHFFFAOYSA-N 302.187 3.126 10 10 DGCE CNCc1ccc(N2C[C@@H]3[C@H](CCN3Cc3ccccc3)C2)cc1 2015068809 QRRHWVMVXVTHNO-TZIWHRDSSA-N 321.468 3.117 10 10 DGCE Cc1cccc(CNCc2nc(Br)cs2)c1O 2024803816 FRMVDNLCFVADFK-UHFFFAOYSA-N 313.220 3.209 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)c2ccc(Cl)nc2Cl)C1 701318449 GSBPXNHNDBUJCC-ZETCQYMHSA-N 300.149 3.303 10 10 DGCE COC(=O)c1cc(CC(C)C)nn1Cc1cc(Cl)ccc1O 2070017331 VJAMSEHKYPLGMO-UHFFFAOYSA-N 322.792 3.276 10 10 DGCE COc1ccc(O)c([C@H](C)n2nc(-c3ccccc3)cc2CN)c1 2070123990 UBPJWIQSBNOHFT-ZDUSSCGKSA-N 323.396 3.332 10 10 DGCE CC[C@]1(C)C[C@H](N(C)c2cc(Cl)c(CN)cc2F)CO1 2189339066 PYUREWTVCDOTBZ-XHDPSFHLSA-N 300.805 3.332 10 10 DGCE CCC[C@@H]1COCCN1Cc1cc(Br)ccc1O 2050897855 OOLRUUQUDQNVBO-CYBMUJFWSA-N 314.223 3.156 10 10 DGCE CNCc1ccc(N2CC(F)(C3CC3)C2)c(Br)c1 2052051271 NTTFLMNQIVWXIG-UHFFFAOYSA-N 313.214 3.107 10 10 DGCE C[C@H]1CC[C@H](CNCc2c(O)cccc2Br)OC1 2053740289 JOWSYLSTGQUVDO-WDEREUQCSA-N 314.223 3.059 10 10 DGCE C[C@@]12CC[C@@H]1CN(c1cc(Br)c(CN)cc1F)C2 2086877245 JDNYNIWAHYIASI-YGRLFVJLSA-N 313.214 3.283 10 10 DGCE CCN(C(=O)OC(C)(C)C)[C@@](C)(CO)c1ccc(N(C)C)cc1 2211009618 ZNVLNEVNZKWMDL-SFHVURJKSA-N 322.449 3.217 10 10 DGCE CC[C@@H](C)CNCc1c(Br)ccc(OC)c1O 2214867431 OFEOZLAJNYDVFR-SECBINFHSA-N 302.212 3.299 10 10 DGCE COc1ccc(O)c([C@H](C)NCc2cnc(SC)s2)c1 2208482273 QCOWBLFBOPATOO-VIFPVBQESA-N 310.444 3.430 10 10 DGCE Nc1ccc(CCCO[C@H]2CCN(Cc3ccccc3)C2)cc1 2244775788 REWPYSABMIWFKH-FQEVSTJZSA-N 310.441 3.493 10 10 DGCE C[C@@H]1CSc2ccccc2N(C(=O)/C=C\c2cnccn2)C1 492215242 SFOVKNCKHKMQAU-FWWRYZNZSA-N 311.410 3.265 10 10 DGCE CCc1ccc(N=NN2CCN(C(=O)c3ccco3)CC2)cc1 2330201781 JKVWGEJQOVAKGX-UHFFFAOYSA-N 312.373 3.299 10 10 DGCE Cc1ccc(CN[C@H](C)COC(F)F)c(O)c1Br 2327621346 MGWMHSMBDVWHDQ-MRVPVSSYSA-N 324.165 3.180 10 10 DGCE CC[C@H](C)N(CCO)Cc1ccc(C)c(Br)c1O 2327788361 CMVUASDQNQUVIO-NSHDSACASA-N 316.239 3.056 10 10 DGCE Cc1ccc(NS(=O)(=O)Cc2ccc(N)cc2)cc1Cl 22150335 GQNKVXSNBDXNSR-UHFFFAOYSA-N 310.806 3.173 10 10 DGCE Oc1cc2c(cc1CNc1ccc(Br)cc1)OCO2 42879243 DIEXBAFBPWVDGL-UHFFFAOYSA-N 322.158 3.496 10 10 DGCE O=[N+]([O-])c1cnccc1N1CC=C(c2c[nH]c3ncccc23)CC1 66797587 NKWCAFPVFQQORA-UHFFFAOYSA-N 321.340 3.160 10 10 DGCE CN1CCc2cc([C@@H](CN)Nc3ccccc3Cl)ccc21 87915800 JRUHMXGILNPTTR-MRXNPFEDSA-N 301.821 3.444 10 10 DGCE CC[C@@H]1CN(c2ccc(CN)cc2C(F)(F)F)CCS1 157816120 MGZTUEMYCBOHRU-LLVKDONJSA-N 304.381 3.496 10 10 DGCE CCC[C@H]1CCN(c2cc3c(cc2Cl)[C@H](NC)C(=O)N3)C1 160392555 RDHKGJNWYCRMFO-BONVTDFDSA-N 307.825 3.179 10 10 DGCE Cc1cnc(CCN(C)Cc2cc3c(cc2O)CCC3)s1 178922764 QTHMDNXKWCZNNG-UHFFFAOYSA-N 302.443 3.320 10 10 DGCE Cc1cc(/C=C/C(=O)N[C@H]2CCOC2)c(C)n1-c1ccccc1 179018181 VWKFZTPLQWVRRA-IJDCCNJMSA-N 310.397 3.012 10 10 DGCE CC[C@@H](Nc1cnn(CCOC)c1)c1ccc(N(C)C)cc1 182462473 BBOQYLHDQVGSSN-QGZVFWFLSA-N 302.422 3.159 10 10 DGCE CCCOc1ccc(CN2CCC[C@@H]2Cn2ccnc2)c(O)c1 188415749 VLGVCSMRSIZZNR-MRXNPFEDSA-N 315.417 3.042 10 10 DGCE Cc1ccc(-c2nc(-c3ccc(F)c(F)c3)no2)c(O)c1O 189932321 YCNDXXIYVSBWEK-UHFFFAOYSA-N 304.252 3.401 10 10 DGCE Oc1ccc(Cl)c(F)c1CN1CCC[C@@H]1Cn1ccnc1 191490527 DKZFTOFPMJJOPV-LLVKDONJSA-N 309.772 3.046 10 10 DGCE C[C@@H](CCN[C@H](C)c1cc(O)ccc1O)NC(=O)OC(C)(C)C 227670863 MCRMEFHXKAOSLT-NWDGAFQWSA-N 324.421 3.052 10 10 DGCE Nc1ccc(CCNc2ncc(Br)cc2F)cc1 236353070 RXSJTAIJWWGMKU-UHFFFAOYSA-N 310.170 3.220 10 10 DGCE CO[C@@H]1CN(Cc2cc(Br)ccc2O)CC[C@H]1C 249247385 XMQDNQIYDOZNPG-QMTHXVAHSA-N 314.223 3.012 10 10 DGCE Cc1cc(Cl)cc(CN2CCC[C@@H](c3ncc[nH]3)C2)c1O 271763633 ZPROZPIRNISIAC-GFCCVEGCSA-N 305.809 3.457 10 10 DGCE CN(C)[C@H](CNCc1cc(Cl)c(F)cc1O)c1ccco1 293795214 BPVBEKGXXNSLQK-CYBMUJFWSA-N 312.772 3.170 10 10 DGCE C[C@H](O)CC(C)(C)CNCc1cccc(Br)c1O 304359738 XQQKCHWYCVLZHE-JTQLQIEISA-N 316.239 3.041 10 10 DGCE NC(=O)c1cc(F)c(Nc2ccc(N)cc2)cc1Br 311387667 ZUJVWVPXWWNGTB-UHFFFAOYSA-N 324.153 3.013 10 10 DGCE CSC[C@@H]1CCCN1c1ccc(CN)c(Br)c1 400310922 ALLYWDRDDIVMRT-LBPRGKRZSA-N 315.280 3.240 10 10 DGCE Oc1cc(Br)ccc1CN1CC(Cc2ccco2)C1 529650056 WDFBNNHFPOFQAM-UHFFFAOYSA-N 322.202 3.422 10 10 DGCE C[C@@H](O)c1ccc(N2CCC[C@@H](F)C2)c(Br)c1 689389079 OOVHTNPLVPVDOS-MWLCHTKSSA-N 302.187 3.441 10 10 DGCE C[C@@H](NCc1ccc(Br)cc1O)c1cscn1 691439031 AHZXPMOBQAVZAA-MRVPVSSYSA-N 313.220 3.462 10 10 DGCE Oc1c(F)cc(Br)cc1CNCc1ccoc1 715745063 JSGZJCPTQSOQBB-UHFFFAOYSA-N 300.127 3.177 10 10 DGCE CNCc1ccc(N(CC(F)(F)F)CC(F)(F)F)cc1 719506576 AZDXTKLBSSKCBQ-UHFFFAOYSA-N 300.246 3.337 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)C[C@H](C)c2cccnc2)c1 734548246 CBVBSCGOYQOYFG-STQMWFEESA-N 314.385 3.167 10 10 DGCE COc1cc(C)cc(CN2CCCN(C(C)(C)C)CC2)c1O 754720771 PLWALRRMGUQVKC-UHFFFAOYSA-N 306.450 3.015 10 10 DGCE COc1cccnc1NCc1cc(Br)ccc1O 776253195 KRKLCGZDBXKCKJ-UHFFFAOYSA-N 309.163 3.170 10 10 DGCE Oc1ccc2c(n1)CCC[C@@H]2NCc1cc(Cl)cc(F)c1O 809728621 DBFMMZFBNGNKEA-ZDUSSCGKSA-N 322.767 3.453 10 10 DGCE CC1CCN(c2ccc(CNC(=O)NCCCCF)cc2)CC1 812885468 QMPMRDLRPRYJMG-UHFFFAOYSA-N 321.440 3.472 10 10 DGCE COc1cc(CN2CCC(N(C)C)CC2)c(O)c(C(C)(C)C)c1 824575424 DWTTVKOLUYYZQN-UHFFFAOYSA-N 320.477 3.224 10 10 DGCE CC(C)[C@H](O)C1(CNC/C=C\c2ccc(N(C)C)cc2)CC1 842207643 OOHVKDZCGYKJDY-XFHJGTJQSA-N 302.462 3.153 10 10 DGCE COc1ccc(CNC(=O)CC2CCC(F)(F)CC2)c(O)c1 861489924 LYUHNECVVXTEEY-UHFFFAOYSA-N 313.344 3.233 10 10 DGCE COc1cccc([C@H](C)N[C@@H](C2CCC2)[C@@H]2CCCO2)c1O 866491243 OKYUQPXXNCFMNY-NUTKFTJISA-N 305.418 3.399 10 10 DGCE Oc1cc(F)c(Cl)cc1CN1CCO[C@H](C(F)F)CC1 872257819 XYCXHHKURFXUDV-LBPRGKRZSA-N 309.715 3.041 10 10 DGCE C[C@@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)CC(F)F 898080000 AZYAHNPWYCWZRG-SSDOTTSWSA-N 315.341 3.334 10 10 DGCE CN1CCN(Cc2ccc(N(C)C)cc2)C2(CCCCC2)C1 1473198847 VRPZPGCCHMPDGY-UHFFFAOYSA-N 301.478 3.203 10 10 DGCE Cn1cc(/C=C\C(=O)N2CCc3cccc(C(F)(F)F)c32)cn1 1525696961 JCLVKERVYLRKGX-WAYWQWQTSA-N 321.302 3.041 10 10 DGCE O=[N+]([O-])c1ccc(N2Cc3cccc(O)c3C2)cc1OC(F)F 1559263559 XHNIHORAJAPGSU-UHFFFAOYSA-N 322.267 3.422 10 10 DGCE CC(C)C[C@@H]1C[C@H]1C(=O)NCc1ccc2c(c1)CCCN2C 1597848428 JBFHLZXYQLHZLJ-IAGOWNOFSA-N 300.446 3.367 10 10 DGCE CCN(C(=O)c1cccc(O)c1O)[C@H](C)Cc1ccsc1 1617186785 OQYHDGIMHUNWDR-LLVKDONJSA-N 305.399 3.253 10 10 DGCE CC(C)[C@@H]1CCC[C@H](NC(=O)Cc2ccc(O)c(O)c2)CC1 1634581795 FKVPHUSFJSOLHP-CABCVRRESA-N 305.418 3.361 10 10 DGCE Cc1cc(CN2CCN(C)[C@H](C)C2)ccc1N1CCCCC1 1642589574 PJBJXOZYMOYGLU-QGZVFWFLSA-N 301.478 3.121 10 10 DGCE COc1cc2c(c(OC)c1)N(C[C@@H](OC)C1CCC1)CCC2 1646203354 GMMAVEUPVGKEPW-QGZVFWFLSA-N 305.418 3.272 10 10 DGCE CN(Cc1ccc(N)cc1)c1c(N)ccc(F)c1Br 1876336355 ZRIGKIXRORIFTA-UHFFFAOYSA-N 324.197 3.389 10 10 DGCE CN(CCN=[N+]=[N-])Cc1sccc1I 1888162883 POZYGKGTKPPCAG-UHFFFAOYSA-N 322.175 3.095 10 10 DGCE C[C@@H](O)c1ccc(N(Cc2ccccc2)[C@@H]2CCOC2)cc1O 1915440676 ZVBOPTUMYHNVQJ-RHSMWYFYSA-N 313.397 3.241 10 10 DGCE NCc1ccc(N(Cc2ccccc2)C2(CO)CCC2)c(F)c1 1915758827 WSIPJYHSZHAGBE-UHFFFAOYSA-N 314.404 3.206 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@H](Nc1ccccc1N)C2 1977660043 SLYAMZWXTQVNMT-RCBQFDQVSA-N 317.433 3.469 10 10 DGCE CN(CCC[C@@H](O)c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C 1977937289 AZKQBAOXWVQMCC-MRXNPFEDSA-N 322.449 3.433 10 10 DGCE CN(C)c1ccc([C@@H](O)CCCCNC(=O)OC(C)(C)C)cc1 1977938315 IAOUIZCURBQLTM-INIZCTEOSA-N 322.449 3.481 10 10 DGCE CCN[C@H](c1ccccc1O)[C@]1(NC(=O)OC(C)(C)C)C[C@H]1C 1984173723 PGGQAOYJIYWQJW-DWQUBVKVSA-N 320.433 3.346 10 10 DGCE C[C@H](O)c1cc(F)c(N(Cc2ccccc2)[C@@H](C)CO)c(F)c1 1990407508 STMBLVSOQFVFKW-STQMWFEESA-N 321.367 3.406 10 10 DGCE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](C2)[C@@H]1COc1ccc(N)cc1 1992434744 GCACOLVIEUNYNA-NOLJZWGESA-N 318.417 3.436 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](Oc3ccc(N)cc3)C[C@H]2C1 1992494594 KTCLDWDUNFVNGT-VIKVFOODSA-N 318.417 3.293 10 10 DGCE OC[C@H](C1CC1)N(Cc1ccccc1)c1ccc2c(c1)CC[C@@H]2O 2012706273 AKFNBFLRWKDOMS-RTWAWAEBSA-N 323.436 3.444 10 10 DGCE CN(CC1[C@H]2CCC[C@H]12)c1ccc(CN)c(Br)c1 2032802735 XORUORPAZJPTSG-STQMWFEESA-N 309.251 3.390 10 10 DGCE CC[C@@H]1CCOC[C@H]1NCc1cc(Br)ccc1O 2035128792 GPWPTGPHNUXDQY-ZWNOBZJWSA-N 314.223 3.059 10 10 DGCE O=C(Nc1ccc(O)c(O)c1)c1oc(C2CC2)nc1C(F)F 2062046997 IQUVSGNPNYNENP-UHFFFAOYSA-N 310.256 3.153 10 10 DGCE CC1(C)CCOCCN1Cc1cccc(Br)c1O 2062071301 HDADFVFSNBFIKX-UHFFFAOYSA-N 314.223 3.156 10 10 DGCE FC[C@@H]1CCN1c1ccc(CNC2CC2)cc1Br 2063224893 JRGPTAYUHSALFP-LBPRGKRZSA-N 313.214 3.249 10 10 DGCE CC[C@]1(C)C[C@@H](NCc2ccc(Br)cc2O)CO1 2069118625 UXICESMJLNPIAI-TZMCWYRMSA-N 314.223 3.202 10 10 DGCE COc1cnn(Cc2cccc(Cl)c2O)c1Br 2070299285 VPRNTGKTMCRDSJ-UHFFFAOYSA-N 317.570 3.062 10 10 DGCE Cc1nn(Cc2cc(C(F)(F)F)ccc2O)c(N)c1C1CC1 2079603821 QUNCSEHXMPGKNK-UHFFFAOYSA-N 311.307 3.424 10 10 DGCE Nc1ccc(CC(=O)OCc2c(Cl)cncc2Cl)cc1 2149793218 PPMWNINGFHRQGN-UHFFFAOYSA-N 311.168 3.257 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)c2c(Cl)ncnc2Cl)CC1 2203183557 ZNTOHPARFCIGOU-SSDOTTSWSA-N 315.164 3.088 10 10 DGCE COc1ccc(N(Cc2ccccc2)[C@@H](C)CCO)c(OC)c1 2210910232 PBBLVHDDLOCXGY-HNNXBMFYSA-N 315.413 3.481 10 10 DGCE C[C@H](O)c1ccc(N2CC[C@H]3C[C@]3(F)C2)c(Br)c1 2222656521 CJEQQWRLDBTDJW-CHIMOYNISA-N 314.198 3.441 10 10 DGCE COc1ncc(CN(C)c2ccc([C@H](C)N)cc2Cl)s1 2239974146 DLLOWEADGWGUPI-VIFPVBQESA-N 311.838 3.461 10 10 DGCE CSc1ncc(CNCc2ccncc2C(F)F)s1 2269188135 MJBBVQLJDPUCNQ-UHFFFAOYSA-N 301.387 3.487 10 10 DGCE CSc1ncc(CNc2c(N)cc(N)c(Cl)c2F)s1 2269277681 DBVVLZUYEQETBQ-UHFFFAOYSA-N 318.830 3.434 10 10 DGCE COC(=O)c1cnc(SC[C@@H](CC(C)(C)C)OC)s1 2271716574 GMCDCOYMEBJZSQ-SECBINFHSA-N 303.449 3.473 10 10 DGCE CCc1nsc(CN(C)c2ccc([C@@H](C)O)c(Cl)c2)n1 2288820876 YJRFIGHDEIIAFY-SECBINFHSA-N 311.838 3.444 10 10 DGCE N=C(N)c1cnc(Sc2ccc(OC(F)(F)F)cc2)s1 2296238655 IRBUPTKZHHUMOI-UHFFFAOYSA-N 319.333 3.477 10 10 DGCE O=C1C(=CN2CCCC2)SC(=S)N1c1ccc(F)cc1 2297616284 JCFJDRBKLJXPGI-UHFFFAOYSA-N 308.403 3.128 10 10 DGCE CC[C@@H](Cc1ccccc1)NC(=O)C=Cc1ccc(O)c(O)c1 2308000911 YYYISXAENWROLV-INIZCTEOSA-N 311.381 3.249 10 10 DGCE COCCN(CCOC)N=Nc1cccc(C(F)(F)F)c1 2330173758 JPZZPBPVYYTCBX-UHFFFAOYSA-N 305.300 3.299 10 10 DGCE CC(C)(C)[C@H]1OCCC[C@@]1(Sc1nccs1)C(=O)O 2351987939 ALTSGVGNPSSFLY-RNCFNFMXSA-N 301.433 3.284 10 10 DGCE CCN[C@@H](CC1(C)OCCO1)c1ccc(N(CC)CC)cc1 2353343462 VFNRWVBVJWDWCZ-KRWDZBQOSA-N 306.450 3.337 10 10 DGCE Cn1nc(C(F)F)c(CN2CC[C@@H](CN=[N+]=[N-])C2)c1Cl 2364905326 LWRAPRBWUHFKPC-ZETCQYMHSA-N 304.732 3.143 10 10 DGCE CN1C(=O)S/C(=C/c2ccc(N3CCCCC3)cc2)C1=O 6394147 HOVYTZNPZVUMKO-SDNWHVSQSA-N 302.399 3.343 10 10 DGCE O=C(O)Cc1csc(NCc2c(O)ccc3ccccc23)n1 8018262 RYJROOMFTGXGLM-UHFFFAOYSA-N 314.366 3.241 10 10 DGCE CCC(CC)N(C)c1c(F)cc(CNCCOC)cc1F 62736055 VSPUUIBYUWGBRU-UHFFFAOYSA-N 300.393 3.326 10 10 DGCE Nc1ccc(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1 63063581 QCZLVSQDAJMODL-UHFFFAOYSA-N 316.304 3.306 10 10 DGCE CCN(CC)c1ccc(CNCCC(=O)N2CCCCC2)cc1 69715525 ZECASMBQFAHSBR-UHFFFAOYSA-N 317.477 3.025 10 10 DGCE Cc1cccc(C)c1NC(=O)CNCc1ccc(N(C)C)cc1 72670212 WWZGESVLJIMYAL-UHFFFAOYSA-N 311.429 3.098 10 10 DGCE CN(Cc1ccccc1O)c1nccc(OCc2ccccc2)n1 89635610 DACLECLOVZEBLE-UHFFFAOYSA-N 321.380 3.398 10 10 DGCE CC1(C)OC(=O)C(=Cc2cccc(Cl)c2Cl)C(=O)O1 96565244 IUFQHVARTNKDAO-UHFFFAOYSA-N 301.125 3.213 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)C(=O)Nc1cccc2cccnc12 96785371 LOEVOOXPZIPESZ-GFCCVEGCSA-N 322.364 3.463 10 10 DGCE C[C@@H](N[C@H](C)c1nnc2n1CCCC2)c1ccc(N(C)C)cc1 130887242 RVORDTJWYFMRPH-ZIAGYGMSSA-N 313.449 3.092 10 10 DGCE COc1cc(CN2CCC(OCC(C)C)CC2)c(O)cc1C 159909962 HZSPBOMWQRQFPV-UHFFFAOYSA-N 307.434 3.346 10 10 DGCE CCN[C@](CCSc1nccs1)(C(=O)O)c1ccccc1 168224642 ZBNKPTACBGMUOL-HNNXBMFYSA-N 322.455 3.215 10 10 DGCE COc1cc(OC)c(CN[C@@H](C)c2ccccc2O)c(OC)c1 183430014 OHRUQOPOZUFYIG-LBPRGKRZSA-N 317.385 3.269 10 10 DGCE CC(=O)c1ccc(/N=N/N2CCN(c3ccccn3)CC2)cc1 205561347 XSDPRVAFSIXZLN-FMQUCBEESA-N 309.373 3.105 10 10 DGCE CCOc1cccc(CN2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1O 246796542 QQROXWRHXDPXKM-ZBFHGGJFSA-N 315.417 3.071 10 10 DGCE Cc1ncccc1/C=C\C(=O)N1C[C@H]2CCCN2c2ccccc21 492952275 GSHNADNNBCWNOL-QXPKXGMISA-N 319.408 3.419 10 10 DGCE Cc1ccc(N(C)C(=O)/C=C\c2cnc3ccccc3n2)nc1 493692887 MNTBARBMKXYPJL-NTMALXAHSA-N 304.353 3.009 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC(C)(C)OC2(C)C)c1 528864391 ZPPASONIMFAWQP-FZMZJTMJSA-N 321.417 3.172 10 10 DGCE COc1ccc(O)c([C@@H](C2CCCCC2)N2CCOCC2)c1 575296569 SMSMHNCCFMQSHU-GOSISDBHSA-N 305.418 3.354 10 10 DGCE O=C(/C=C\c1cnc2ccccc2n1)N1CCc2c(F)cccc21 588463302 JXZKGGWFRQWHMM-HJWRWDBZSA-N 319.339 3.371 10 10 DGCE COc1ccc2c(c1)c1c(n2CC(=O)N[C@H]2CC23CC3)CCCC1 652466359 OHCBUIDRWCKVNS-SFHVURJKSA-N 324.424 3.197 10 10 DGCE CCc1cccc(CNC/C=C\CNC(=O)OC(C)(C)C)c1O 691513924 QXTPKBNQYUCTBU-SREVYHEPSA-N 320.433 3.125 10 10 DGCE Nc1ccc2c(ccn2Cc2ccncc2Br)c1 702871113 RUONFFXBJYDNNX-UHFFFAOYSA-N 302.175 3.429 10 10 DGCE Cc1nc(CNCc2ccccc2O)sc1Br 719312043 WLAYWSIXVREBFG-UHFFFAOYSA-N 313.220 3.209 10 10 DGCE Cc1nn(C)c(C)c1CCN[C@H]1C[C@@H](C)c2c(F)ccc(O)c21 756378449 DTIYFVQZWKAVLV-BMIGLBTASA-N 317.408 3.262 10 10 DGCE C[C@H](NCC[C@H]1COc2ccccc2O1)c1ccc(F)cc1O 756763264 WIPUAERFZWJMEE-JSGCOSHPSA-N 317.360 3.412 10 10 DGCE CC(C)c1n[nH]cc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 770743252 HXOHSFLPZUUJRV-GFCCVEGCSA-N 300.406 3.090 10 10 DGCE Cc1cc(Cl)cc(CN2CCC[C@H](N3CCCC3)C2)c1O 775659316 VSAKJUWBQZSGKT-INIZCTEOSA-N 308.853 3.414 10 10 DGCE COC(=O)c1cc(CN[C@H](C)c2ccc(N(C)C)cc2)c(C)o1 775835232 SNKPFOPWBVHJJU-GFCCVEGCSA-N 316.401 3.291 10 10 DGCE COc1cc(CN2CCOCC3(CC3)C2)c(O)c(C(C)(C)C)c1 782297174 HGCMCFTXMMFVKK-UHFFFAOYSA-N 319.445 3.311 10 10 DGCE COc1ccc(N2CCN(C(=O)CC3CC(C)(C)C3)CC2)cc1 794186108 TVUFNFARWHHRAX-UHFFFAOYSA-N 316.445 3.170 10 10 DGCE Oc1cc(F)c(Cl)cc1CN1CCC[C@H](OC(F)F)C1 816566344 RTOUVSNTLRCJPW-VIFPVBQESA-N 309.715 3.388 10 10 DGCE Cc1cc(CN2CC[C@H]3CN(C)C[C@@H]32)ccc1N1CCCCC1 829998727 NFKSQTAEIMLNCX-ICSRJNTNSA-N 313.489 3.121 10 10 DGCE Cc1cc(O)c(CN2CC[C@H](N3CCCCC3)C2)c(Cl)c1 840913867 KFDZLVATXKNRLC-AWEZNQCLSA-N 308.853 3.414 10 10 DGCE CCOC(=O)c1ccc(CNCc2c(O)cc(C)cc2Cl)o1 840949305 UQZOPXTYNSMDHH-UHFFFAOYSA-N 323.776 3.414 10 10 DGCE Cc1cc(O)c(CN2CCc3cc(Cl)nnc3C2)cc1C 842616575 GMWLFHNOTVPBLV-UHFFFAOYSA-N 303.793 3.011 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@H](c2ccccc2F)[C@H](C)O)c1 846013045 JIGIYTPTGDVCGV-PZROIBLQSA-N 319.376 3.313 10 10 DGCE Cn1cc(C[C@@H]2CCC[C@H]2NCc2cc(Cl)ccc2O)cn1 850383987 GSTCXTMJYPKIAJ-XJKSGUPXSA-N 319.836 3.280 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@H](C)c3cncs3)C2)cc1 850488422 MRHHIOCKKBTSBA-CHWSQXEVSA-N 303.431 3.081 10 10 DGCE COc1ccc2c(c1)N(C(=O)/C=C/c1ccc(C)nc1)CCC2 856076280 AHPJJRXZFWDQEX-JXMROGBWSA-N 308.381 3.391 10 10 DGCE COc1ccc(N2CCC(N[C@H](C)c3ccns3)CC2)cc1 858318666 SEYWBGHWPCUYRN-CYBMUJFWSA-N 317.458 3.471 10 10 DGCE CN(C)c1cc(F)c(CN[C@@H](C2CCC2)[C@@H]2CCOC2)cc1F 864053442 KQFSYKHWRJZIEW-ACJLOTCBSA-N 324.415 3.326 10 10 DGCE COC1CCC(CCNC(=O)N[C@@H](C)c2ccccc2O)CC1 868498201 KVETZTPJWDGMJD-NFOMZHRRSA-N 320.433 3.348 10 10 DGCE CCOc1ccc(N(CC2CC2)C(=O)/C=C\c2cnccn2)cc1 869718713 CPGKZKNAGXKGMO-YHYXMXQVSA-N 323.396 3.332 10 10 DGCE COc1cc(O)c(CN[C@H]2CCc3c(F)cccc32)cc1OC 895853840 IJCVTUZIMVQSCF-HNNXBMFYSA-N 317.360 3.326 10 10 DGCE C/C(=C(/F)C(=O)NCc1ccc2cccnc2c1O)C1CC1 911262640 RWMZQOZZVUHQEM-UVTDQMKNSA-N 300.333 3.210 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)NCC[C@@H]1CC[C@@H]2C[C@@H]12 924391691 PXMWSZMHFSDCTH-JZXOWHBKSA-N 315.461 3.330 10 10 DGCE O=C(NCc1c(O)cccc1F)c1cccc(Cl)c1[N+](=O)[O-] 1156170467 NKTONUZCYDRWNT-UHFFFAOYSA-N 324.695 3.023 10 10 DGCE C[C@H](NC(=O)CCOc1cccc(F)c1)c1ccccc1O 1171731100 YEFACODHNVZQHN-LBPRGKRZSA-N 303.333 3.178 10 10 DGCE O[C@@]1(C2CC2)CCCN(Cc2ccc(N3CCCC3)cc2)C1 1261673095 KZNRLCZUUJEDFE-IBGZPJMESA-N 300.446 3.024 10 10 DGCE O=C(NCc1c(O)cccc1O)[C@@H]1C[C@H]1c1cccc(Cl)c1 1304053126 DKHFJVFEMADWKL-QWHCGFSZSA-N 317.772 3.171 10 10 DGCE O=[N+]([O-])c1ccc2nc(NCc3c(O)cccc3O)sc2c1 1307216562 WVBJYXNINXMFSC-UHFFFAOYSA-N 317.326 3.228 10 10 DGCE C[C@H](N[C@H](C)c1ccccc1O)C(=O)Nc1ccc(F)cc1F 1308010535 QVWBZTPJYPNPIB-MNOVXSKESA-N 320.339 3.348 10 10 DGCE CN(Cc1ccccc1O)C(=O)N[C@H](CF)c1ccc(F)cc1 1471139665 WMAJAHBVVWOBMN-OAHLLOKOSA-N 320.339 3.384 10 10 DGCE CCCn1cncc1CNCc1cccc(Br)c1O 1474494943 DZOSJHVVNOQBFK-UHFFFAOYSA-N 324.222 3.051 10 10 DGCE C/C(=C\C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)c1cccs1 1624954860 LVYHKODHZJVTDA-OBIHZWKSSA-N 317.410 3.310 10 10 DGCE Cc1cnccc1/C=C\C(=O)NCc1cccc(Cl)c1O 1640405268 OSLMNWALJCDTHG-WAYWQWQTSA-N 302.761 3.079 10 10 DGCE C[C@H](N[C@@H](C)c1ccccc1O)C(=O)Nc1c(F)cccc1F 1655349829 VBBPRCSMGRMUIS-QWRGUYRKSA-N 320.339 3.348 10 10 DGCE CCC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(O)c(O)c1 1865649933 MJFNXRPMDPSAKO-GXDHUFHOSA-N 308.337 3.294 10 10 DGCE [N-]=[N+]=NC1CN(Cc2c(F)ccc(Br)c2F)C1 1912163175 GGWGJRBJUNDSJQ-UHFFFAOYSA-N 303.110 3.222 10 10 DGCE OCc1ccc(N(Cc2ccccc2)[C@@H](CO)C2CC2)c(F)c1 1915322296 CQAVVQBWMLKKGV-IBGZPJMESA-N 315.388 3.096 10 10 DGCE CCN[C@H](c1ccccc1O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 1937073021 RMXXGGSOUWAMBJ-XEZPLFJOSA-N 320.433 3.346 10 10 DGCE C[C@H]1[C@H](CNCc2cccc(Br)c2O)C1(F)F 1947978038 IKJYVCIRVBKDOH-CBAPKCEASA-N 306.150 3.146 10 10 DGCE C[C@H](COc1ccc(N)cc1)C1CN(C(=O)OC(C)(C)C)C1 1953019628 JQWCBQYCNREUOD-GFCCVEGCSA-N 306.406 3.151 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(N)[C@@H]1c1c(O)cccc1Cl 1959192017 AECWIIGTNURNJY-UOWOHEGISA-N 324.808 3.055 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@]2(CCN(CCCN=[N+]=[N-])C2)C1 1962302226 YOCMDMUIVFGXFW-HNNXBMFYSA-N 309.414 3.020 10 10 DGCE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N(C)CCCN=[N+]=[N-] 1962303905 JUNYMZRMJPSFER-STQMWFEESA-N 311.430 3.264 10 10 DGCE CN(CC1(Br)CC1)c1ccc(CO)cc1Cl 1991510874 SICUBPOWOJAUPR-UHFFFAOYSA-N 304.615 3.196 10 10 DGCE CN(Cc1cccc(Br)c1O)[C@@H]1CCC[C@H]1F 2006807615 ODEWZHWNPATLKH-VXGBXAGGSA-N 302.187 3.477 10 10 DGCE Cc1cc(N2CC=C(Br)CC2)ccc1C[C@@H](C)N 2031536000 WOJKXMSJOXNQAD-GFCCVEGCSA-N 309.251 3.374 10 10 DGCE NCc1cc(F)c(N2CCC[C@@H]3CC[C@@H]32)cc1Br 2034337987 BLSLJUNJFWJQLM-RNCFNFMXSA-N 313.214 3.426 10 10 DGCE [N-]=[N+]=NC1CCN(C(=O)c2snc(Cl)c2Cl)CC1 2048317362 JYMDAUVKEHWMGH-UHFFFAOYSA-N 306.178 3.365 10 10 DGCE Oc1ccc(Br)cc1CN[C@@H]1[C@H]2CCC(F)(F)[C@H]21 2051229002 GFSDTSFBDNRIAP-MVWJERBFSA-N 318.161 3.288 10 10 DGCE CN(C)c1ccc([C@H](O)c2ncc(C(F)(F)F)s2)cc1 2156064834 DBMLGFUWZITNLL-NSHDSACASA-N 302.321 3.310 10 10 DGCE CN(Cc1ccc(N)cc1)C(=O)c1cc(Cl)cc(Cl)n1 2162742056 IWXPPEKLOAXECW-UHFFFAOYSA-N 310.184 3.243 10 10 DGCE Cc1cc(N(C)[C@@H]2CS[C@H](C(F)(F)F)C2)ccc1CO 2189472696 FGWHJTRZVCOMOD-STQMWFEESA-N 305.365 3.360 10 10 DGCE COc1ccc(N(C)[C@H]2CCN(Cc3ccccc3)C2)c(C=O)c1 2214863375 YVMLIMGFKWHROC-SFHVURJKSA-N 324.424 3.218 10 10 DGCE CC1(C)CCC(S(=O)(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])CC1 2239980889 FBQJQEQYTRRXLA-RYUDHWBXSA-N 300.428 3.106 10 10 DGCE CCC[C@H](CCN)CCC(=O)NCc1cnc(SC)s1 2284636750 LPOAIKWZWDMWJH-NSHDSACASA-N 315.508 3.027 10 10 DGCE Oc1cccc(Br)c1CN[C@@H]1C[C@@H]2C[C@H]1[C@H]1C[C@@H]21 2309577357 BWJHHUAOTGDHOF-MMROJZCPSA-N 308.219 3.289 10 10 DGCE CO[C@H]1CCC[C@H]1NCc1ccc(C)c(Br)c1O 2327620236 BCLGUILZQMROQL-NEPJUHHUSA-N 314.223 3.120 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1CC[C@@H]2C[C@H]1CO2 2334119388 GHVLYWIIHXUOAH-UFGOTCBOSA-N 302.201 3.356 10 10 DGCE CCCc1nnsc1CN(C)c1ccc(CN)c(Cl)c1 2360898229 HLQXABTZSKUTBX-UHFFFAOYSA-N 310.854 3.239 10 10 DGCE O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc2ccccc12 34138080 JCYVUPRVFQQUDE-AQTBWJFISA-N 314.344 3.301 10 10 DGCE C[C@@H](Sc1nccs1)C(=O)Nc1ccc(N)cc1Cl 40676556 CMOZMQJXFAEEQQ-SSDOTTSWSA-N 313.835 3.498 10 10 DGCE C[C@@H]1CN(c2ccc(CN)c(C(F)(F)F)c2)C[C@@H](C)S1 70381622 BLIYONUQJXKUGC-NXEZZACHSA-N 304.381 3.494 10 10 DGCE CSCC[C@H](C)N(C)Cc1ccc(N2CCOCC2)cc1 93558729 VKMFTQKGSTVTJS-HNNXBMFYSA-N 308.491 3.097 10 10 DGCE CC1CCN(c2ccc(CNC(=O)N[C@@H]3C[C@H]3C)cc2)CC1 108583946 KUBKORRUZKVOCE-RHSMWYFYSA-N 301.434 3.131 10 10 DGCE CCNCc1ccc(N(C)CC(C)(C)O)cc1C(F)(F)F 167385015 AVDUMFULPINPFB-UHFFFAOYSA-N 304.356 3.022 10 10 DGCE CC(C)CCCNC(=O)/C=C/c1ccc(N2CCOCC2)cc1 170996430 MEOGKCRPGMZVBU-JXMROGBWSA-N 316.445 3.089 10 10 DGCE Cc1cccc(NC[C@H]2CCN(Cc3cc(F)ccc3O)C2)n1 180043827 AGIYDWRCIULKTD-CQSZACIVSA-N 315.392 3.169 10 10 DGCE Cc1ccc([C@@H](C)N[C@@H](C)Cc2c(C)nn(C)c2C)c(O)c1 185559609 GQZXTGZTHYWXRZ-QWHCGFSZSA-N 301.434 3.333 10 10 DGCE CCCN(CCC)Cc1ccc(N2CCNCC2)c(OCC)c1 212640655 WVWJFWGSQWKLGW-UHFFFAOYSA-N 319.493 3.117 10 10 DGCE CN(C)c1ccc(-c2nc(Br)c(CN)s2)cc1 217270560 MTRJPIFPEFBNOC-UHFFFAOYSA-N 312.236 3.097 10 10 DGCE COCCN(CC(C)C)c1ccc(CN)c(Br)c1 228149896 VGURATSOOFJGDZ-UHFFFAOYSA-N 315.255 3.017 10 10 DGCE CC(=O)N(C(=O)c1ccc(C(F)(F)F)cc1)c1ccc(N)cc1 243311262 LHVBTXSVGVRZEH-UHFFFAOYSA-N 322.286 3.481 10 10 DGCE CN1CCCc2cc(CNC(=O)N3C[C@@H]4CCC[C@H]4C3)ccc21 246397353 LCBGNJKLLCMYHV-IRXDYDNUSA-N 313.445 3.011 10 10 DGCE CCNCc1ccc(N(C)C[C@@H](C)OC)cc1Br 306114170 YJNPQKHUOXTNFU-LLVKDONJSA-N 315.255 3.030 10 10 DGCE C[C@H](NCc1cnn(Cc2ccccc2)c1)c1cc(O)ccc1O 390424771 UYMVWTHAQDSHFZ-AWEZNQCLSA-N 323.396 3.193 10 10 DGCE O=C(NCc1cccc(Br)c1O)[C@@H]1CCCC12CC2 529174191 WROBCEORUDLTIP-NSHDSACASA-N 324.218 3.351 10 10 DGCE CC[C@@H]1[C@H](C(=O)O)CCN1Cc1cc(Cl)cc(Cl)c1O 690655490 MHTMXJNQTPMUHZ-ZYHUDNBSSA-N 318.200 3.384 10 10 DGCE CN(Cc1ccc(Br)cc1O)C[C@H]1CCCCO1 691674547 GBURVNJAGJUAFK-CYBMUJFWSA-N 314.223 3.156 10 10 DGCE Oc1c(F)cc(Br)cc1CNCC[C@@H]1CC1(F)F 715735287 DPMHSEDGXVTNJG-MRVPVSSYSA-N 324.140 3.429 10 10 DGCE Nc1ncc(F)cc1OCc1cc(F)cc(Br)c1 723417690 POJGFYWALDJAMS-UHFFFAOYSA-N 315.117 3.284 10 10 DGCE Cc1ccccc1-n1c(C)cc(C(=O)N[C@@H](C)C(C)(C)O)c1C 746333473 JZWMEAZQFMYEIG-HNNXBMFYSA-N 314.429 3.292 10 10 DGCE CC(C)C1CC(NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 754089769 LTFTYXCPIGKQEP-UHFFFAOYSA-N 320.452 3.311 10 10 DGCE C[C@H](NC1CCN(C2CCC2)CC1)c1cc(F)cc(F)c1O 756489242 HKVODXIQUGIXAP-NSHDSACASA-N 310.388 3.338 10 10 DGCE C[C@H](Nc1cccc([C@H]2CNC(=O)C2)c1)c1ccc(F)cc1O 757619077 KJXQLDIWIPQJRV-WCQYABFASA-N 314.360 3.308 10 10 DGCE CC(C)(C)c1nc(COC(=O)c2cccc(O)c2O)cs1 758578142 BDHYOJFBYMZQCS-UHFFFAOYSA-N 307.371 3.209 10 10 DGCE COC(=O)c1nc(N[C@@H](C)c2ccc(N(C)C)cc2)sc1C 764892876 QAWFXBJCXUKUQU-JTQLQIEISA-N 319.430 3.477 10 10 DGCE COc1ccc(O)c(CN[C@H](C)[C@@H]2Oc3ccccc3[C@H]2C)c1 776231153 NLTBDZFXMXAPHR-VLXJIEOASA-N 313.397 3.444 10 10 DGCE CC(C)C[C@@H](C)C(=O)NCc1cc(Br)ccc1O 804735689 HARLEFFMTRQWJY-SNVBAGLBSA-N 314.223 3.453 10 10 DGCE C[C@H]1CO[C@@H](C(F)(F)F)CN1Cc1cccc(Cl)c1O 809697117 WNQKVXYDCKATNB-GZMMTYOYSA-N 309.715 3.197 10 10 DGCE Cc1cnc(NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)o1 820633213 AREVZXCZMDCZBD-CHWSQXEVSA-N 319.380 3.348 10 10 DGCE C[C@H](Cc1ccco1)C(=O)NCc1c(O)ccc2c1CCCC2 830559758 VFJGGNCTCUGDAU-CYBMUJFWSA-N 313.397 3.359 10 10 DGCE CCCNC(=O)CN(C/C=C/c1ccc(N(C)C)cc1)CCC 835027278 JWESUIULQDCYLO-BQYQJAHWSA-N 317.477 3.004 10 10 DGCE Nc1ccc(CCNC(=O)N2Cc3ccccc3C3(CC3)C2)cc1 841960066 TXQKCQWGSVPFCC-UHFFFAOYSA-N 321.424 3.068 10 10 DGCE CCO[C@@H]1C[C@@H](NCc2cc(Cl)cc(C)c2O)[C@@H]1SC 843430482 XEYYDQRTLCBUKB-NFAWXSAZSA-N 315.866 3.353 10 10 DGCE CCCC[C@@](C)(CO)NCc1c(O)cccc1Br 858182558 YNTFWGLWTFIBGV-AWEZNQCLSA-N 316.239 3.186 10 10 DGCE CCN(C)c1ccc([C@H](C)N[C@H]2CC=C(C(=O)OC)C2)cc1 858471950 FKOCRIVBTIIVFQ-BBRMVZONSA-N 302.418 3.055 10 10 DGCE CCOC(=O)C1=CC[C@H](NCc2cc(Cl)c(C)cc2O)C1 862489531 OKUZLPAJOLNCHS-ZDUSSCGKSA-N 309.793 3.096 10 10 DGCE CCC(F)(F)C(C)(C)CNC(=O)/C=C\c1ccc(O)c(O)c1 862945124 LJLNGDXBJZMFTC-VURMDHGXSA-N 313.344 3.299 10 10 DGCE C[C@@H]1NCC[C@H]1N[C@@H](CCc1ccccc1)c1ccccc1O 863547231 QDVIONHGYMPZDY-IPELMVKDSA-N 310.441 3.406 10 10 DGCE CCOc1cc(F)cc(CNCc2cc(OC)ccc2O)c1 865463817 OBTWIDMNVSMMBC-UHFFFAOYSA-N 305.349 3.228 10 10 DGCE Cc1ccc(CN[C@H](C)C2CN(C(=O)OC(C)(C)C)C2)c(O)c1 877689887 KIAZQKPMDVRBQE-CYBMUJFWSA-N 320.433 3.046 10 10 DGCE COC(=O)/C=C\c1ccc(N2CCC[C@](C)(F)C2)c([N+](=O)[O-])c1 1117757344 SPKNSVLSPPXQCT-WRLNGNIRSA-N 322.336 3.109 10 10 DGCE COc1ccc(N(C)C[C@H]2CCC3(CCC3)CO2)c(OC)c1 1168317562 QNHDLZQWDSODQM-OAHLLOKOSA-N 305.418 3.489 10 10 DGCE Cc1ccc([C@H](NC(=O)c2cccc(O)c2O)C(F)(F)F)o1 1469541561 GCSZBAXVQRSMLT-LBPRGKRZSA-N 315.247 3.033 10 10 DGCE C[C@@H]1[C@@H](CNC(=O)N2Cc3cccc(O)c3C2)CCC[C@H]1C 1470000927 KGAVTVSBHWPLGQ-HZSPNIEDSA-N 302.418 3.490 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)Nc1cc(Cl)nc(N)n1 1472808552 VLUIQNUHYRZFHF-NSHDSACASA-N 319.840 3.130 10 10 DGCE CC1=NO[C@](C)(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C1 1533141652 ABQBUVCXRYTRNX-SFHVURJKSA-N 317.433 3.045 10 10 DGCE CC[C@H](NC(=O)c1c(F)ccc(O)c1O)c1ccccc1OC 1559026633 RRJKQFKPWUQMRJ-LBPRGKRZSA-N 319.332 3.127 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1ccc2c(c1)CCO2 1597737227 SOHHJHSAQWOYJA-UHFFFAOYSA-N 319.360 3.410 10 10 DGCE C[C@H](Oc1cccc(F)c1)C(=O)N[C@H](C)c1ccccc1O 1635793878 MASYXKKCIVSBQB-NEPJUHHUSA-N 303.333 3.176 10 10 DGCE O=C(NCc1cccc(O)c1O)c1cc2c(F)cccc2s1 1637034495 JANJQEMZTMFIMH-UHFFFAOYSA-N 317.341 3.382 10 10 DGCE COc1ccc(N(C)CCN(C)C[C@@H]2C[C@@H]3CCC[C@@H]3O2)cc1 1646717629 BVAPLALEKQDNOT-SNRMKQJTSA-N 318.461 3.021 10 10 DGCE Cc1cc(CN(C)Cc2ncccn2)ccc1N1CCCCC1 1654634960 YVLZMGVAHYWVSH-UHFFFAOYSA-N 310.445 3.407 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC1CC(F)(F)C1 1681605236 SKNPUUKONQRQKO-UHFFFAOYSA-N 323.387 3.226 10 10 DGCE Oc1cccc(Br)c1CN[C@H](C(F)F)C1CC1 1942731504 GBQAAVCZYTWIPE-NSHDSACASA-N 306.150 3.288 10 10 DGCE COc1cccc(C[C@@H](CN=[N+]=[N-])NC(=O)OC(C)(C)C)c1 1951351144 SXNMCBFYGYWHJI-LBPRGKRZSA-N 306.366 3.441 10 10 DGCE C[C@@H]1C[C@H](NCc2ccccc2O)CN(Cc2ccccc2)C1 1986366060 QBRNRXQJBCDGNM-APWZRJJASA-N 310.441 3.392 10 10 DGCE C[C@@H]1CC[C@@](NC(=O)OC(C)(C)C)([C@@H](N)c2ccccc2O)C1 1990399591 JNWFPDWIRWJROI-MRAWALMUSA-N 320.433 3.476 10 10 DGCE C[C@H](O)c1ccc(N2C[C@H](F)C[C@@H]2C)cc1Br 1997691124 HNJMSEVDVOBWFH-LPEHRKFASA-N 302.187 3.439 10 10 DGCE C[C@@H]1CN(Cc2ccccc2)CCN1c1ccc2c(c1)CC[C@H]2N 2012702121 WXZKZZQSEHHRTE-IIBYNOLFSA-N 321.468 3.343 10 10 DGCE CC1=C(Br)CN(c2c(F)cc(CO)cc2F)CC1 2034765828 PNJGHUKYPPTYQJ-UHFFFAOYSA-N 318.161 3.336 10 10 DGCE COc1ccc(Cn2nc(C3CC3)cc2Br)c(O)c1 2070028509 VAHMSINWZXGPJG-UHFFFAOYSA-N 323.190 3.286 10 10 DGCE C[C@@H](Nc1ncc(Br)cc1N)c1ccccc1O 2072483522 FOYREWJNXADIGC-MRVPVSSYSA-N 308.179 3.305 10 10 DGCE Cc1ccc(O)c(Cn2nc(C)c([N+](=O)[O-])c2C(F)(F)F)c1 2079238479 FWMAKBAMWWAMIL-UHFFFAOYSA-N 315.251 3.181 10 10 DGCE Cc1cc(O)c([C@H](C)n2nc(C3CCC3)c(CO)c2N)cc1C 2079998667 SLZZXDCYQRWXDP-LBPRGKRZSA-N 315.417 3.157 10 10 DGCE CC(C)N[C@]1(CO)CCC[C@@H](Sc2nccs2)[C@H]1C 2119189095 WVURIUXVRMLOMQ-BZPMIXESSA-N 300.493 3.153 10 10 DGCE C[C@]12CSC[C@H]1CN(c1cc(Cl)c(CN)cc1F)C2 2120878937 FPXFDJYMJXYGKF-YGRLFVJLSA-N 300.830 3.127 10 10 DGCE Cn1ncc2cc(CNCc3cc(Cl)ccc3O)sc21 2175259837 LVRFNEUEYGNFTO-UHFFFAOYSA-N 307.806 3.284 10 10 DGCE CCC[C@@H]1C[C@H](N(C)c2cc(Cl)c(CN)cc2F)CO1 2185706509 QNUZHIHMKJKARV-NWDGAFQWSA-N 300.805 3.332 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@@H]1NC(=O)c1ccsc1Br 2213587754 KPLMNCPMXYZHCH-YUMQZZPRSA-N 315.196 3.472 10 10 DGCE COc1ccc(N2CCC(Br)=C(C)C2)c(CN)c1 2220416970 HKVRBZLFDWHDPP-UHFFFAOYSA-N 311.223 3.033 10 10 DGCE CSc1ncc(CN=c2[nH]c(Cl)ncc2C2CC2)s1 2269271824 NWRHPUGZFCUOSO-UHFFFAOYSA-N 312.851 3.220 10 10 DGCE CCCNCc1ccc(N(C)Cc2nncs2)cc1Cl 2281362877 JADPTGGZAYQDLX-UHFFFAOYSA-N 310.854 3.328 10 10 DGCE COc1c(C(=O)N(C)Cc2ccc(N)cc2)csc1Cl 2284203301 PBSMKLCQTCZMBK-UHFFFAOYSA-N 310.806 3.265 10 10 DGCE C[C@@H](O)c1ccc(N2CCO[C@@H](P(C)(C)=O)C2)cc1Cl 2289324616 ZPBJZTFHDIYRDO-YGRLFVJLSA-N 317.753 3.179 10 10 DGCE CNCc1ccc(N2C[C@@H]3C[C@H]2[C@H]2C[C@@H]23)cc1Br 2308721964 DNFPLIWITMJLNK-QJZXMWHDSA-N 307.235 3.013 10 10 DGCE CCCC1=NN(C)C(=O)C1=Cc1ccc(Br)cc1 2332147753 VIVWDKYEZDGYJS-UHFFFAOYSA-N 307.191 3.461 10 10 DGCE CC1(C)C[C@@H]2C(=O)N(c3c(Cl)cc(N)cc3Cl)C(=O)[C@H]21 2365779262 SRVQSSJTJIUWGI-XVKPBYJWSA-N 313.184 3.111 10 10 DGCE Cc1cc(C(=O)NCC[C@@H](C)O)c(C)n1-c1ccc(Cl)cc1 118718000 OQYVSRLXBVKWIK-GFCCVEGCSA-N 320.820 3.248 10 10 DGCE NCc1ccc(N2CCN(c3cccc(Cl)c3)CC2)cc1 20265935 IJPKIPKLDBOKRY-UHFFFAOYSA-N 301.821 3.125 10 10 DGCE Nc1ccccc1N[C@@H]1CC[C@@H]1NC(=O)OCc1ccccc1 1954638716 OLHDTTDVNKFQGM-SJORKVTESA-N 311.385 3.138 10 10 DGCE COc1ccc2c(O)c(I)sc2c1 306792724 AKKGLUHDNBZMQT-UHFFFAOYSA-N 306.124 3.220 10 10 DGCE CCCN1CCN(c2ccc(CNC(C)C)cc2Cl)CC1 126325831 ZNLVVDUUWXNBSD-UHFFFAOYSA-N 309.885 3.370 10 10 DGCE Oc1ccc(Cl)cc1CNCc1ccn(C(F)(F)F)n1 2365997993 MBZJHSWQUGPIKJ-UHFFFAOYSA-N 305.687 3.008 10 10 DGCE CCN[C@@H](c1ccc(N(C)C)cc1)c1nc2c(s1)CCC2 41191863 GUSDBSKCLIBJRM-INIZCTEOSA-N 301.459 3.397 10 10 DGCE CCOc1cccc(CN2CCCC[C@H]2c2cn[nH]c2)c1O 93438150 MFNPHWNGVCIOFN-HNNXBMFYSA-N 301.390 3.241 10 10 DGCE COc1ccc(/C(C)=C\C(=O)N(C)Cc2ccccc2O)cc1 255025020 QWBUXPRJPTUKIF-OWBHPGMISA-N 311.381 3.463 10 10 DGCE CC[C@@H](N[C@@H]1CCc2nc[nH]c2C1)c1cccc(Cl)c1O 377799270 SNACTOYNDQYKRS-ZWNOBZJWSA-N 305.809 3.367 10 10 DGCE COc1ccc([C@H](C)NCc2cc(F)ccc2O)c(OC)c1 378944353 KSFKEPOCNLUHEZ-NSHDSACASA-N 305.349 3.399 10 10 DGCE O=C(CO[C@@H]1CCCc2ccccc21)NCc1ccccc1O 280843059 QOEDBAKERIHKKT-GOSISDBHSA-N 311.381 3.103 10 10 DGCE C[C@@H](N[C@H]1COc2ccc(F)cc2C1)c1cc(F)ccc1O 808728063 MMBXTNQVGZSORP-QMTHXVAHSA-N 305.324 3.325 10 10 DGCE Cc1c(C)n(C)c2ccc(OC(=O)[C@H](C)c3ccnn3C)cc12 817760672 CSLQZQJFCYTLHU-GFCCVEGCSA-N 311.385 3.238 10 10 DGCE CCN(C)c1ccc(CN2C[C@H](C(F)(F)F)OC[C@H]2C)cc1 815116186 DDQWDQBAIANEMN-IUODEOHRSA-N 316.367 3.294 10 10 DGCE CN(C)c1ccc(CN2Cc3c[nH]nc3CC(C)(C)C2)cc1F 828013874 NCHVRGBJOWDYOD-UHFFFAOYSA-N 316.424 3.199 10 10 DGCE CCN1C[C@H](C)N(C/C=C\c2ccc(N(C)C)cc2)C[C@H]1C 835025885 MLCWPEIXNLHALQ-ZMJQMOPZSA-N 301.478 3.180 10 10 DGCE CN(C)c1ccc(/C=C/CN(C[C@H]2CCOC2)C2CC2)cc1 835026209 SEFLBXDXDNVXAX-REMYHPOOSA-N 300.446 3.267 10 10 DGCE CC1(CNCc2cc(F)c(N3CCOCC3)c(F)c2)CCC1 839145703 SIUMFZRYPPAVAD-UHFFFAOYSA-N 310.388 3.081 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@@H]2CCC[C@@H]3OCC[C@@H]32)cc1 835043394 QHVBJSIISJQZTA-KSULIHCOSA-N 300.446 3.313 10 10 DGCE CN(C)c1ccc(CNC(=O)NCCC2CCCC2)cc1F 746718919 SAIHTHAVHBAJGT-UHFFFAOYSA-N 307.413 3.271 10 10 DGCE COCC1(CN[C@H](C)c2cc(Br)ccc2O)CC1 848561223 REGAFOFZRFMSSH-SNVBAGLBSA-N 314.223 3.232 10 10 DGCE NCc1ccc2c(c1)CCCN2Cc1cccc(-n2cccn2)c1 843057322 BUPSPHGNYXNZPM-UHFFFAOYSA-N 318.424 3.284 10 10 DGCE CCO[C@H](CN[C@H](C)c1ccc2ccccc2c1O)CN(C)C 926965052 ZWEGWFBGTHJFBH-GDBMZVCRSA-N 316.445 3.163 10 10 DGCE C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)Nc1ccc(N)cc1 841297304 DTVWDEPBKNOUMZ-SJCJKPOMSA-N 311.385 3.125 10 10 DGCE COc1cccc(CNC(=O)[C@@H]2CCCC[C@H]2C2CC2)c1O 843831897 SIQVVXZESQWRLB-LSDHHAIUSA-N 303.402 3.233 10 10 DGCE CN(C)c1ccc(CNC[C@H]2CC[C@H](C(F)(F)F)O2)cc1F 922458518 QNYMICSREFTABS-BXUZGUMPSA-N 320.330 3.091 10 10 DGCE O=C(O)/C=C\c1ccc(N2CC[C@@H]3C[C@@H]3C2)c(Br)c1 699271876 IDCKPLFFUUCXAD-DNDCWNJCSA-N 322.202 3.393 10 10 DGCE COc1ccc2ccc(O)c(CN3C[C@@H]4COC[C@]4(C)C3)c2c1 853567105 SYBGUUKHKPWYGG-KUHUBIRLSA-N 313.397 3.022 10 10 DGCE C[C@H](N[C@@H](C)c1nccn1C)c1cc(Br)ccc1O 850573364 YNMBIXGAZCLJCU-UWVGGRQHSA-N 324.222 3.300 10 10 DGCE Cc1cccc2c1C[C@@H](NCc1cccc(Cl)c1O)CO2 862441532 VYYJAOKQDNJAJC-CYBMUJFWSA-N 303.789 3.447 10 10 DGCE Cc1ccc(C(=O)NCC2(C(F)(F)F)CCCC2)c(O)c1O 863507877 INFYFYTUOQRMNI-UHFFFAOYSA-N 317.307 3.259 10 10 DGCE C[C@@H](NC(=O)CCc1ccccc1O)c1ccc(N(C)C)cc1 775410196 KDLLBCMTAFRWQY-CQSZACIVSA-N 312.413 3.268 10 10 DGCE c1cc2c(cc1CN[C@@H]1CCCC[C@@H]1[C@H]1CCOC1)CCO2 788983657 CVRDYFDQLDRTOX-RCCFBDPRSA-N 301.430 3.306 10 10 DGCE COc1cc(C)cc(CN[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)c1O 895344908 SLCDMMDXUYHRDH-BPQIPLTHSA-N 313.372 3.276 10 10 DGCE C[C@H](NCC[C@@H](C)[S@@](C)=O)c1cccc(C(F)(F)F)c1O 798181488 KPLBNRJYKBVIFH-QONUSYMYSA-N 323.380 3.219 10 10 DGCE CN(C(=O)OC(C)(C)C)[C@@H]1CN(c2ccc(N)cc2)CC1(C)C 1899992831 FKDQCTMFVCUVAC-OAHLLOKOSA-N 319.449 3.351 10 10 DGCE CC(C)(C)OC(=O)N[C@@]1([C@H](N)c2ccccc2O)CC1(C)C 1960477593 RLLYYNKSOAJNPY-CXAGYDPISA-N 306.406 3.085 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CN(CCCCN=[N+]=[N-])CC12CC2 1962287625 LDKKOTUSEKZMON-GFCCVEGCSA-N 309.414 3.066 10 10 DGCE Nc1cccc(Br)c1N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 712926883 VCENXZUHKFEEAI-FZZIBODNSA-N 323.234 3.401 10 10 DGCE O=C(/C=C/c1ccc(Cl)nc1)NCc1cccc(Cl)c1O 1606868390 NYSRASZWKQUOLR-FNORWQNLSA-N 323.179 3.424 10 10 DGCE CN(C)c1ccc(CNC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)cc1 25962226 FXIPZQBBMXWZHT-ROUUACIJSA-N 312.388 3.312 10 10 DGCE CC[C@@H]1CO[C@@H](C)CN1c1ccc(/C=C/C(=O)O)cc1Cl 164356760 WLVURXHAYIRNRA-VAFIWLDWSA-N 309.793 3.442 10 10 DGCE C[C@@H]1C[C@H]1Cn1c(-c2ccccc2)cnc1SCC(=O)O 159834198 RSMLBKUFOXIAKT-YPMHNXCESA-N 302.399 3.383 10 10 DGCE Cc1c(Cl)cccc1/N=N/N1CCN(c2ncccn2)CC1 1860482615 LQMPCGGDOONYAR-FMQUCBEESA-N 316.796 3.259 10 10 DGCE CCOC(=O)C1CCN(/N=N/c2ccc([N+](=O)[O-])c(C)c2)CC1 1860488227 JJGQUFUPWQTJKT-WUKNDPDISA-N 320.349 3.177 10 10 DGCE CN[C@H](C)c1ccc(N(Cc2ccccc2)[C@H](C)CO)c(F)c1 1914360237 MAYRVGCVMQBHHJ-HUUCEWRRSA-N 316.420 3.494 10 10 DGCE Cc1cc(Br)cc(CN(C)[C@H]2CCO[C@H]2C)c1O 228057399 UZLBTBJGLDZCSS-GWCFXTLKSA-N 314.223 3.072 10 10 DGCE C[C@@H](NCc1ccc(O)cc1O)c1cnn(Cc2ccccc2)c1 1942382365 UXTJAKRYXLKYRA-CQSZACIVSA-N 323.396 3.193 10 10 DGCE NC(=O)c1ccc(Cl)c(NCc2ccc(Cl)cc2O)c1 2146322120 WWFIOJDNXMGBQR-UHFFFAOYSA-N 311.168 3.410 10 10 DGCE C[C@H]1N(Cc2ccc(Br)cc2O)CCC1(F)F 2004631717 CWOATNJSIUWAQU-MRVPVSSYSA-N 306.150 3.384 10 10 DGCE CN(C)c1ccc([C@H](O)c2csnc2Br)cc1 1999512011 LHZYEHLFCRJBJR-NSHDSACASA-N 313.220 3.053 10 10 DGCE CCCN(CCOC)c1ccc([C@@H](C)O)cc1Br 2036709831 YBTLVIWSFWQTEX-LLVKDONJSA-N 316.239 3.365 10 10 DGCE COCCNCc1ccc(N2CCC=C(Cl)C2)cc1Cl 404375065 KUBBOGYYSBJICQ-UHFFFAOYSA-N 315.244 3.409 10 10 DGCE Nc1c(Cl)nn(Cc2c(O)cccc2F)c1C(F)(F)F 2079211131 KACVSQWLFOCDAX-UHFFFAOYSA-N 309.650 3.031 10 10 DGCE FC(F)(F)[C@@H]1C[C@@H](NCc2ccc3c(c2)CCO3)CS1 2189226549 SFGWOWJWBWEWDC-YPMHNXCESA-N 303.349 3.148 10 10 DGCE CC[C@@]12C[C@@H]1CN(c1cc(Br)c(CN)cc1F)C2 2048605890 QETBNZLUQSGASC-YGRLFVJLSA-N 313.214 3.283 10 10 DGCE Nc1ccc(C[C@H](O)c2cc(F)ccc2Br)cc1 2077762631 AKJODHSHKDMKFU-AWEZNQCLSA-N 310.166 3.447 10 10 DGCE CCCN[C@H](c1ccccc1O)c1ncncc1Br 2090039335 GCFCEQDBVJDIMU-CYBMUJFWSA-N 322.206 3.034 10 10 DGCE Cc1c(/C=C\C(=O)N(C)c2ccc(OC(C)C)cc2)cnn1C 493096366 WCWKVYUQGCHQTN-WDZFZDKYSA-N 313.401 3.192 10 10 DGCE [N-]=[N+]=NCCCCN1CCN(C(=O)OCc2ccccc2)CC1 1954206698 KUQLBKDRTWBMSR-UHFFFAOYSA-N 317.393 3.031 10 10 DGCE CN[C@H](C)c1ccc(N(CCOC)[C@@H](C)COC)c(Cl)c1 61697725 NJCGHJHBDYOWHJ-QWHCGFSZSA-N 314.857 3.108 10 10 DGCE CC(C)Oc1nccnc1NCc1ccc(N(C)C)c(F)c1 302208429 FMRNAIJIAHKRMN-UHFFFAOYSA-N 304.369 3.081 10 10 DGCE C[C@H]1CCC[C@H](C)N1NCc1cccc(Br)c1O 214096972 NXMMBTQRVNNQBA-QWRGUYRKSA-N 313.239 3.422 10 10 DGCE Cc1nn(C)c(C)c1C[C@@H](C)N[C@@H](C)c1ccc(F)c(F)c1O 187735593 LMKDNNFYOONJCG-ZJUUUORDSA-N 323.387 3.303 10 10 DGCE CN[C@@H](C)c1ccc(N(CCOC)[C@@H](C)COC)cc1Cl 226856817 JTJWAIHYVHTBHH-STQMWFEESA-N 314.857 3.108 10 10 DGCE CCOc1ccc(OC(=O)N(C(C)=O)c2ccc(N)cc2)cc1 244199998 VOCFNNOOZPCHKZ-UHFFFAOYSA-N 314.341 3.219 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)c1nc([C@H](C)OC)ns1 800858002 CVAXCHIINIPIQP-LBPRGKRZSA-N 320.462 3.338 10 10 DGCE CC1=CNC(C(=O)N=Nc2ccnc3cc(Cl)ccc23)=CN1 390832646 JWTHPPIJHYNWIV-UHFFFAOYSA-N 313.748 3.394 10 10 DGCE O[C@@H](CNCc1ccc(N2CC=CC2)cc1)CC1CCCC1 819095219 BYASQCSJOCASAE-LJQANCHMSA-N 300.446 3.094 10 10 DGCE CCn1nc(-c2nc(Cc3ccc(N)cc3)no2)cc1C1CC1 904077895 KOKRDLZFWKPTBR-UHFFFAOYSA-N 309.373 3.003 10 10 DGCE CCc1cccc(CNc2cccc3c2CCN(C)C3=O)c1O 827321468 PMBQJTWXECZDLE-UHFFFAOYSA-N 310.397 3.195 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)Cc2sc(C)cc2C)c1 901128265 VCDBTTCUVNITSL-GFCCVEGCSA-N 319.426 3.499 10 10 DGCE O=C1OCC[C@@H]1N1CCCc2cc(OCc3ccccc3)ccc21 734487799 YSSMRMDKMCURHK-IBGZPJMESA-N 323.392 3.334 10 10 DGCE COc1ccc(N(C)CCOC2CCSCC2)cc1OC 929348954 WQVIDDTZLWRJFB-UHFFFAOYSA-N 311.447 3.052 10 10 DGCE CCCN(C(=O)/C=C/c1cnc2ccccc2n1)c1cccnc1 750127594 AUVLVURIGQCLPE-MDZDMXLPSA-N 318.380 3.481 10 10 DGCE CCOc1ccc(CN2CCCC[C@@H](CCOC)C2)c(O)c1 768542789 ZHEOYOJFZVRYCX-HNNXBMFYSA-N 307.434 3.430 10 10 DGCE C[C@H](Nc1cnn2c1CCCC2)c1cc([N+](=O)[O-])ccc1O 866460313 FXWFBKWQXJSNLI-JTQLQIEISA-N 302.334 3.006 10 10 DGCE COc1ccc(O)c(CNC[C@@H](C)N(C)Cc2ccccc2)c1 390537399 PNEDVCATCYAJMU-OAHLLOKOSA-N 314.429 3.011 10 10 DGCE C[C@@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@H]1F 778620559 NPTBARNFXOPPNU-RHSMWYFYSA-N 319.424 3.176 10 10 DGCE Cc1ccc(/C=C/C(=O)N2CCN(C)c3ccc(F)cc32)cn1 779472762 HTSHTBGKAXFBOJ-VMPITWQZSA-N 311.360 3.025 10 10 DGCE Cc1c(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)ccn1C 1124549741 OWCTWPQBBUUVME-UHFFFAOYSA-N 311.429 3.206 10 10 DGCE CC(C)(C)OC(=O)Nc1ccoc1C(=O)NCCCCN=[N+]=[N-] 1963732868 SJOVHYTYKMHMED-UHFFFAOYSA-N 323.353 3.447 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)NC1CCC(C2CCC2)CC1 1301094486 OAUPHYMMLSWKFU-UHFFFAOYSA-N 303.402 3.115 10 10 DGCE Cc1cc(C(=O)NCCN=[N+]=[N-])ccc1NC(=O)OC(C)(C)C 1963808756 FCKCHLNPYIADDD-UHFFFAOYSA-N 319.365 3.382 10 10 DGCE Cc1c(I)cc(CN)c(C)c1CN=[N+]=[N-] 1887520559 IJITVLQBDGIDQI-UHFFFAOYSA-N 316.146 3.177 10 10 DGCE C[C@H]1CN(c2ccc(CN)c(Cl)c2)C[C@](C)(C(F)F)O1 705115894 HHHXTEHAXCLBNH-LKFCYVNXSA-N 304.768 3.048 10 10 DGCE CCc1nc(C(=O)NCc2c(O)ccc3ccccc23)c(C)o1 1179032296 FIKGKLZQYAHTSS-UHFFFAOYSA-N 310.353 3.334 10 10 DGCE C[C@H](CNCc1c(O)cccc1Br)C(F)(F)F 706863895 YRJXGOLKJMBLMC-SSDOTTSWSA-N 312.129 3.443 10 10 DGCE CCC[C@H](CNCc1cc(Br)cc(F)c1O)OC 715805430 WNVYDLGNROYQRI-LLVKDONJSA-N 320.202 3.199 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1C[C@H]1C(C)(C)C 1265457703 SDLPWFRLGRAZRY-ZIAGYGMSSA-N 302.418 3.160 10 10 DGCE CCCN(C[C@@H](C)O)c1ccc([C@H](C)N)c(Br)c1 2259722725 SMHKUKOEKFRXAF-MNOVXSKESA-N 315.255 3.066 10 10 DGCE O=C(Nc1ccc(F)nc1)c1cc2cc(O)c(O)cc2s1 1294631131 JEGUQFUDMFDYFC-UHFFFAOYSA-N 304.302 3.099 10 10 DGCE CCn1c(NC(=O)c2cccc(O)c2O)nc2cc(C)ccc21 1466404291 NEASAAQYRZOPLP-UHFFFAOYSA-N 311.341 3.028 10 10 DGCE C[C@@H]1CN(C(=O)/C=C\c2cccnc2)c2cc(F)c(F)cc2O1 1617199879 LKYZXORJINQMGF-DOGVGXBMSA-N 316.307 3.187 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)c2c(F)ccnc2Cl)c1 1622779354 OIIBDGJARMGLKY-MRVPVSSYSA-N 324.739 3.079 10 10 DGCE COc1ccc(N(C)CC(=O)Nc2ccccc2Cl)cc1 1646863285 GSTHRBMKZYZUIQ-UHFFFAOYSA-N 304.777 3.424 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(O)cc1Cl 1645312285 CQOKKFAQWGRDMU-KXFIGUGUSA-N 305.717 3.109 10 10 DGCE CC(C)(C)OC(=O)NCC=CCN[C@H]1CCc2cccc(O)c21 1911692883 YVLFPTWRVXEHQX-AWEZNQCLSA-N 318.417 3.050 10 10 DGCE COc1ccc(N(CC[C@H](C)O)Cc2ccccc2)cc1OC 1655149146 YQWIOWXHRFLMAW-HNNXBMFYSA-N 315.413 3.481 10 10 DGCE [N-]=[N+]=N[C@@H]1CCN(CC(=O)Nc2cc(Cl)ccc2Cl)C1 1912184756 HLBMLANZACPYHK-SECBINFHSA-N 314.176 3.317 10 10 DGCE C[C@@H]1SCCS[C@@H]1c1noc(CCc2ccc(N)cc2)n1 161915245 PATZNHHUWIHPNB-HZMBPMFUSA-N 321.471 3.347 10 10 DGCE Cc1cc(C(=O)NC2(CO)CC2)c(C)n1-c1cccc(Cl)c1 160317513 FHPOAXQLRZYDID-UHFFFAOYSA-N 318.804 3.002 10 10 DGCE OCc1ccc(N2[C@H]3CC[C@H]2CSC3)c(Br)c1 1914572688 BDRWTMMOWOJXOA-QWRGUYRKSA-N 314.248 3.026 10 10 DGCE CN[C@H](c1ccccc1O)[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C 1938632065 LSDKBRIWXFYNSL-CORIIIEPSA-N 324.396 3.000 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H](N)C[C@@H]1c1ccc(Cl)cc1O 1952452644 NXLLEHOCFBEFLR-ZYHUDNBSSA-N 312.797 3.055 10 10 DGCE CN(C(=O)C1CC(OCc2ccccc2)C1)c1ccc(N)cc1 1971391975 SVRCIFVBSSBLSC-UHFFFAOYSA-N 310.397 3.227 10 10 DGCE C[C@H]1OCC[C@@H]1CCNCc1c(O)cccc1Br 1972151668 XRWVKLIUHNMSRS-MNOVXSKESA-N 314.223 3.059 10 10 DGCE COc1cccc(O)c1CN[C@@H]1CC[C@H]1OCc1ccccc1 1976859596 XUDXTTUTYOGDTD-VQIMIIECSA-N 313.397 3.238 10 10 DGCE Cc1ccc(O)c(CN[C@H]2CC[C@H]2CNC(=O)OC(C)(C)C)c1 1986708270 AYHVIFRLBKRMAK-ZFWWWQNUSA-N 320.433 3.094 10 10 DGCE CCN[C@](CO)(CCSc1nccs1)c1ccccc1 168455849 DLRLNKNKHYQRMO-HNNXBMFYSA-N 308.472 3.123 10 10 DGCE C[C@@H](O)c1cc(F)c(N2CC(OCc3ccccc3)C2)c(F)c1 1990406191 JREBPENKZLOCRQ-GFCCVEGCSA-N 319.351 3.424 10 10 DGCE CCN(CC)C(=O)CCNCc1cc(Cl)cc(Cl)c1O 37752492 GSQXXNKLFBNBBW-UHFFFAOYSA-N 319.232 3.047 10 10 DGCE Cc1ccc(CNCC[C@@H](C)N(C)C(=O)OC(C)(C)C)c(O)c1 1994458332 REECVMSRGSFDRX-CQSZACIVSA-N 322.449 3.436 10 10 DGCE Oc1c(F)cc(Br)cc1CN[C@@H]1CCC[C@H]1F 2006779830 AZAAMHYVVKHGIN-MWLCHTKSSA-N 306.150 3.274 10 10 DGCE CCc1ccc(CSc2ncc(CNCCOC)s2)o1 2155315475 ZUTGFNFJNPVKTI-UHFFFAOYSA-N 312.460 3.327 10 10 DGCE C[C@H](N)c1ccc(N2CC3CC2(CF)C3)cc1Br 2030292843 SGIZJHGICKXLNM-IPWFMCSPSA-N 313.214 3.407 10 10 DGCE Oc1ccc(Cl)cc1CN1CCO[C@@H](C(F)(F)F)CC1 687289370 SAEQVYGQVDMKBQ-GFCCVEGCSA-N 309.715 3.199 10 10 DGCE CNCc1ccc(N2CC[C@H](SC)C2)cc1Br 395065509 KRFANGPVKHXJBK-LBPRGKRZSA-N 315.280 3.110 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CC[C@H]2C(F)(F)F)c1O 852060892 ZMLYHKMQIDIXRS-NSHDSACASA-N 307.699 3.385 10 10 DGCE CN(C[C@@H]1COC(C)(C)C1)c1cc(Cl)c(CN)cc1F 2177388066 KKRGKLLYELTAOA-SNVBAGLBSA-N 300.805 3.189 10 10 DGCE C[C@H](N)c1ccc(N2CC3(CC(F)C3)C2)cc1Br 2051884992 JEBCXEAUDHCYSP-VIFPVBQESA-N 313.214 3.407 10 10 DGCE NC[C@]12CCC[C@H]1CCN2Cc1cc(Cl)cc(Cl)c1O 2197337523 BKOVHVIQOQDGQY-XHDPSFHLSA-N 315.244 3.402 10 10 DGCE C[C@H](NC[C@]1(Br)CC1(F)F)c1ccc(F)cc1O 2082488759 HFELTLFDPCSQTR-WRWORJQWSA-N 324.140 3.355 10 10 DGCE CCN(CC)c1ccc([C@]2(O)CCCC3(C2)OCCO3)cc1 2106833628 LZIPVKUGFDIZMZ-KRWDZBQOSA-N 305.418 3.038 10 10 DGCE [N-]=[N+]=NCCCCNC(=O)c1c(Cl)ccc(Cl)c1N 2271363149 UIBCYOFWYRUHKF-UHFFFAOYSA-N 302.165 3.396 10 10 DGCE CCn1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)c2ccccc21 2297347794 BKCZKTDDJYBODV-UHFFFAOYSA-N 320.352 3.112 10 10 DGCE Cc1ccc(CNC[C@H]2CC2(F)F)c(O)c1Br 2307481091 AVTIDYDTFDGVBS-SECBINFHSA-N 306.150 3.208 10 10 DGCE CCN(CCCCO)Cc1ccc(C)c(Br)c1O 2327630647 SFCPDGUVJFZRHZ-UHFFFAOYSA-N 316.239 3.058 10 10 DGCE Nc1ccc(CC(=O)OCc2ccccc2Br)cc1 41098464 AUTBBIREAKAUOW-UHFFFAOYSA-N 320.186 3.317 10 10 DGCE CC[C@H]1CNc2cc(OC)c(OC)cc2N1CC(F)(F)F 57926307 AIPUMEHYZVRZMQ-VIFPVBQESA-N 304.312 3.277 10 10 DGCE CCOCCCNC[C@@H]1CCN(c2ccc(OC(C)C)cc2)C1 76376367 SJRBPQSHVHMCDD-KRWDZBQOSA-N 320.477 3.316 10 10 DGCE CSc1cc2c(cc1CNc1ccc(O)cc1)OCCO2 86506359 BJESHLVJSPQEAB-UHFFFAOYSA-N 303.383 3.497 10 10 DGCE c1cc2c(cc1CNCCCCCN1CCCCC1)CCO2 113343928 KFIFVXCBSXKSFA-UHFFFAOYSA-N 302.462 3.367 10 10 DGCE CC[C@@H](NCc1cccc(Br)c1O)c1ncc[nH]1 138700907 NCMAAJKPEHQLTA-LLVKDONJSA-N 310.195 3.119 10 10 DGCE C[C@@H](NC(=O)Cc1ccc(N)cc1)c1c(F)cccc1Cl 162729695 AZRIUNUFQPOFRA-SNVBAGLBSA-N 306.768 3.481 10 10 DGCE CCCOc1ccc(CN2CCC[C@H]2CN2CCCC2)c(O)c1 179646188 BGKNLEWRDHIGKM-KRWDZBQOSA-N 318.461 3.241 10 10 DGCE CO[C@H]1CN(Cc2cc(Br)ccc2O)CC[C@@H]1C 188296119 XMQDNQIYDOZNPG-HZMBPMFUSA-N 314.223 3.012 10 10 DGCE CCNCc1ccc(N(C)CCOCC)cc1Br 233510613 AMGXRNFSLPKLFV-UHFFFAOYSA-N 315.255 3.031 10 10 DGCE C[C@H](N[C@H]1c2ccccc2C[C@H]1O)c1cc(Cl)ccc1O 248526650 VDCSXADDZVQGKQ-HKJPBSJPSA-N 303.789 3.355 10 10 DGCE C/C(Nc1ncccc1OCc1ccccc1)=C1\C=COC1=O 382032101 DWSQMVDKDNCMJG-SQFISAMPSA-N 308.337 3.417 10 10 DGCE C[C@@H]1CCN(c2ccc(CN)cc2)CCN1Cc1ccccc1 382658122 CTKOHXIZQBVCNG-QGZVFWFLSA-N 309.457 3.246 10 10 DGCE C[C@H](NCc1coc(Br)c1)c1ccc(O)cc1O 385925624 AUWBKTBVIKLMQP-QMMMGPOBSA-N 312.163 3.304 10 10 DGCE C[C@H](O)c1ccc(N(CCO)C(C)(C)C)c(Br)c1 691101664 OAJZJJXJURIPKI-JTQLQIEISA-N 316.239 3.100 10 10 DGCE CN(C)CC[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)C1 701504254 FTULGSCBPPCNSW-LLVKDONJSA-N 317.260 3.473 10 10 DGCE CC(C)O[C@H]1CCN(Cc2ccc(Br)cc2O)C1 701734564 HGMNDUYZCOYLBF-ZDUSSCGKSA-N 314.223 3.154 10 10 DGCE C[C@@H]1CN(c2ccc(CO)c(Cl)c2)C[C@@](C)(C(F)F)O1 705073440 DKHWULWHIQYARG-OTYXRUKQSA-N 305.752 3.081 10 10 DGCE Oc1cc(Br)ccc1CN1CCC[C@H](CF)C1 711500161 WLNWTSXGDCEXKV-SNVBAGLBSA-N 302.187 3.336 10 10 DGCE C[C@@H](NC[C@H](CO)Cc1ccc(F)c(F)c1)c1ccccc1O 790737621 NTIHRCKCZCIVIQ-TZMCWYRMSA-N 321.367 3.172 10 10 DGCE COC(=O)c1ccc(O)c([C@@H](C)NCC2(C(F)(F)F)CC2)c1 797071731 UXRBGXOQBMXECK-SECBINFHSA-N 317.307 3.172 10 10 DGCE CCOc1ccc(CN2CCOC[C@@H]2CC2CCC2)c(O)c1 816667905 ZIQCXVOLHMUEIO-INIZCTEOSA-N 305.418 3.182 10 10 DGCE CCn1c([C@@H]2CCCS2)nnc1N(C)Cc1ccccc1O 818198151 NSKJZAZKJNJVAR-AWEZNQCLSA-N 318.446 3.208 10 10 DGCE COc1cc(O)c(CNCC(F)(F)C(C)(C)C)cc1OC 827722531 LWEHUZAZYUTJIF-UHFFFAOYSA-N 303.349 3.180 10 10 DGCE Cc1cc(Cl)cc([C@H](C)NCCO[C@@H]2CC2(F)F)c1O 850520871 HWRGGOMVHRMPGK-JOYOIKCWSA-N 305.752 3.429 10 10 DGCE Cc1ccc(N(CC(C)C)C(=O)c2ccnc3c2CC(=O)N3)cc1 854884147 UJIRQFRVYNXQFA-UHFFFAOYSA-N 323.396 3.187 10 10 DGCE CN(C)c1ccc(/C=C\CNC[C@@H]2Cc3ccccc3CO2)cc1 858211696 KYBSMJOWDQGBSX-RMUOZIPVSA-N 322.452 3.497 10 10 DGCE Cc1cnc([C@@H](C)NC(=O)N[C@@H](C)c2ccccc2O)s1 868343320 OWSHNRQQKUMBOS-WDEREUQCSA-N 305.403 3.279 10 10 DGCE O=C(N[C@@H]1C[C@H]1c1ccccc1F)N1Cc2cccc(O)c2C1 875660525 ALHOMPSNDIJTIV-XJKSGUPXSA-N 312.344 3.113 10 10 DGCE C[C@H]1CN(Cc2cccc(Cl)c2O)CCN1c1ccncc1 895558289 VDDJBKHPDIVMLA-ZDUSSCGKSA-N 317.820 3.151 10 10 DGCE C[C@H]1C[C@@H](NCc2cc(F)c(N(C)C)cc2F)CCS1 922839322 SHJHOWQNYXDHKU-JQWIXIFHSA-N 300.418 3.405 10 10 DGCE COC(=O)C1(NCc2ccc(OC)c(C)c2)CCCCCC1 1307655437 YZERTQFMUIVQGE-UHFFFAOYSA-N 305.418 3.359 10 10 DGCE CCONC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C 1312532608 LALRDRAMLVHWNV-UHFFFAOYSA-N 301.390 3.153 10 10 DGCE O=C(NCc1cccc(Cl)c1O)N[C@@H]1C[C@@H]1c1ccccc1 1312615303 HRELDZYNYVIQPH-UKRRQHHQSA-N 316.788 3.401 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)c1onc2ccccc12 1557122323 GTSHETDJGZVZDQ-UHFFFAOYSA-N 319.320 3.012 10 10 DGCE O=C(c1c(F)ccc(O)c1O)N1CCc2ccc(Cl)cc2C1 1558959933 OWAYILVIJMSMPB-UHFFFAOYSA-N 321.735 3.089 10 10 DGCE CN(C)c1ccc(CNC(=O)/C=C/C=C(Cl)Cl)cc1F 1625951469 BXRDCCXLEFHURU-HWKANZROSA-N 317.191 3.383 10 10 DGCE CC[C@@H](C)Oc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 1631058435 VCLOLIZBWNSNRG-GFCCVEGCSA-N 315.369 3.456 10 10 DGCE CC[C@H](NC(=O)c1cc(C)ccc1-n1c(C)ccc1C)[C@H](C)O 1635346958 VTNPMNDMBUYGCT-RDJZCZTQSA-N 314.429 3.292 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)NCc1cscc1Cl 1638456440 AYESSOQUASNXHB-RQOWECAXSA-N 309.774 3.142 10 10 DGCE C[C@H](Cc1ccc(F)cc1)C(=O)NCc1c(O)cccc1F 1638862837 FCGYCSOEYNWVDS-LLVKDONJSA-N 305.324 3.165 10 10 DGCE CCN(C)c1ccc(CN(C)CCNC(=O)OC(C)(C)C)cc1 1643333049 WAXKWRVNHFMGIN-UHFFFAOYSA-N 321.465 3.099 10 10 DGCE COc1ccc(CNC[C@H](C)N(C)C(=O)CC(C)(C)C)cc1C 1666855175 XHDNQMFKMKSJTP-HNNXBMFYSA-N 320.477 3.376 10 10 DGCE Cc1ccc(F)c(CCNC(=O)N[C@H](C)c2ccccc2O)c1 1686486455 BPNPFVOIWOPYGJ-CYBMUJFWSA-N 316.376 3.443 10 10 DGCE COc1ccc(CN[C@H](C)CCNC(=O)C=C2CCC2)cc1C 1690837890 UWDSRYYWHPGFKF-OAHLLOKOSA-N 316.445 3.098 10 10 DGCE CNCc1ccc(N(Cc2ccccc2)C(C)(C)CO)c(F)c1 1915776435 JQYYBMCHHHMAQD-UHFFFAOYSA-N 316.420 3.323 10 10 DGCE CCCNCc1ccc(N(C)CCF)c(Br)c1 1916500252 ILIMUDNMBMHXOH-UHFFFAOYSA-N 303.219 3.354 10 10 DGCE CC(C)CN(C[C@@H](N)c1ccccc1O)C(=O)OC(C)(C)C 1928474045 IIIZEBDCJRCCBB-CQSZACIVSA-N 308.422 3.285 10 10 DGCE CC(C)(C)[C@](C)(O)CNCc1c(O)cccc1Br 1964072643 KXBOZXRQVUVBMV-CQSZACIVSA-N 316.239 3.041 10 10 DGCE CC(C)(C)OC(=O)NCc1ccc(Nc2ccc(N)cn2)cc1 1977691315 OHKWQBOFMPKLGL-UHFFFAOYSA-N 314.389 3.432 10 10 DGCE CN(C)c1ccc([C@H](O)[C@H]2CC[C@H]2NC(=O)OC(C)(C)C)cc1 1994856570 XWCJXJFCZFLDFY-XHSDSOJGSA-N 320.433 3.089 10 10 DGCE Nc1cccc(Br)c1N[C@@H]1CC[C@H]2[C@@H]1C2(F)F 1996510064 YSIZKDDCGNIDEA-QUNWWBBNSA-N 303.150 3.487 10 10 DGCE CCN[C@H](c1ccccc1O)c1ccncc1Br 2029553086 LSSRQRGREGORGG-AWEZNQCLSA-N 307.191 3.249 10 10 DGCE Cc1nc(CNCc2cc(Br)ccc2O)c(C)o1 2042417723 QOXCBCUMSFWHFR-UHFFFAOYSA-N 311.179 3.049 10 10 DGCE COC[C@@]1(C)CCN1c1ccc([C@H](C)N)c(Br)c1 2055903649 KRIWMHITPZVMPS-IINYFYTJSA-N 313.239 3.084 10 10 DGCE CO[C@H]1CC(F)(F)CC[C@H]1NCc1c(O)cccc1Cl 2162093943 PHONYDHUSJPODQ-YPMHNXCESA-N 305.752 3.338 10 10 DGCE O=C(O)C=Cc1ccc(N2C[C@@H](F)C[C@@H](F)C2)c(Cl)c1 2182601038 WPLPDYVQZMMYMN-PHIMTYICSA-N 301.720 3.324 10 10 DGCE OCCCN(Cc1ccccc1)c1ccc2c(c1)OCCCO2 2210904558 FAUNEGVTFYXZRE-UHFFFAOYSA-N 313.397 3.237 10 10 DGCE CNCc1ccc(N(C)C2C[C@@H]3C[C@H]3C2)c(Br)c1 2222764292 YLWUIPZXPNPJOZ-RYUDHWBXSA-N 309.251 3.403 10 10 DGCE CCCn1ncc(Br)c1N(C)Cc1ccccc1O 2226776472 BMXSDXXFNDBRSF-UHFFFAOYSA-N 324.222 3.398 10 10 DGCE CN(c1ccc2c(c1)CCC[C@H]2N)C1CSCCSC1 2237078903 OCOISJPTVTUKFP-MRXNPFEDSA-N 308.516 3.308 10 10 DGCE COCC1(CNCc2cnc(SC)s2)CC(F)(F)C1 2278214997 WZRRDWHGTDBEPO-UHFFFAOYSA-N 308.419 3.017 10 10 DGCE O=C1C(=CNc2ccc(O)cc2)SC(=S)N1C1CCCC1 2297512738 MCHSIKKOOAEPRO-UHFFFAOYSA-N 320.439 3.448 10 10 DGCE Cc1cccc(N(C)C(=O)C=Cc2cnc3ccccc3n2)n1 2297605922 KSUILXPISZGOAL-UHFFFAOYSA-N 304.353 3.009 10 10 DGCE CCC1=NN(Cc2ccccc2F)C(=O)C1=Cc1ccccn1 2332128544 CZDKRHIMHQIKJR-UHFFFAOYSA-N 309.344 3.413 10 10 DGCE Cc1cc(=N)c(NCc2ccc(C)c(Br)c2O)c[nH]1 2352619420 FFIIHCQFGTXNFO-UHFFFAOYSA-N 322.206 3.191 10 10 DGCE Cc1ccc(CNC(=O)[C@@H]2C[C@@H]2C2CC2)c(O)c1Br 2352942573 HDPJHMDIRYGYSK-VXGBXAGGSA-N 324.218 3.125 10 10 DGCE CN(c1cc(Cl)c(CN)cc1F)C1CC2(CSC2)C1 2353429345 VUHISLPOUWQTQR-UHFFFAOYSA-N 300.830 3.270 10 10 DGCE CN(CC[C@@H](O)c1cccs1)c1ccc(CO)c(Cl)c1 2365929264 WCJFUFMWURIXFJ-CQSZACIVSA-N 311.834 3.454 10 10 DGCE CSc1ncc(Cn2cncc2[C@@H]2CCCC[C@H]2N)s1 2367239398 ZZXWYRWTCIWCAI-VXGBXAGGSA-N 308.476 3.095 10 10 DGCE Oc1c(Br)cccc1CNCCOC1CCCC1 111607873 IYJNQXZEUZAYJZ-UHFFFAOYSA-N 314.223 3.204 10 10 DGCE COCCNCc1cc(F)c(N(C)[C@@H](C)C(C)C)c(F)c1 62736022 KRFOVZSXXOMODG-LBPRGKRZSA-N 300.393 3.182 10 10 DGCE Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1C(F)(F)F 210966149 HJONEXDHPGUPSZ-UHFFFAOYSA-N 306.243 3.088 10 10 DGCE Nc1ccc(NC(=O)Nc2ccc(Br)cn2)cc1 217313701 POGKCVJMNFEFJS-UHFFFAOYSA-N 307.151 3.070 10 10 DGCE CCCN[C@@H](CSc1nccs1)c1ncnn1C(C)C 2366014747 LRVGGEHFJDOFSL-NSHDSACASA-N 311.480 3.149 10 10 DGCE CC(C)Oc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1 244152688 UVVNMFGGZZJGLU-UHFFFAOYSA-N 324.424 3.436 10 10 DGCE Cc1cc(/C=C\C(=O)N2CCC[C@@H](O)C2)c(C)n1-c1ccccc1 255711629 HFEWPNAZVQQFBN-OEIFXAAASA-N 324.424 3.091 10 10 DGCE Oc1ccccc1CN1CCCN(c2ccccc2F)CC1 377709337 YIJDDLUVGDUODV-UHFFFAOYSA-N 300.377 3.244 10 10 DGCE CN(C)c1ccc([C@@H](N)Cc2coc(Br)c2)cc1 378969811 FULUJFRMTGKEPR-ZDUSSCGKSA-N 309.207 3.351 10 10 DGCE CN(Cc1c(O)cccc1Cl)C[C@H]1COCCC1(F)F 2166667024 QZJHRDMTRYMAEB-JTQLQIEISA-N 305.752 3.149 10 10 DGCE C[C@@H](O)c1ccc(N(C)Cc2cc(Cl)n(C)n2)c(Cl)c1 2166508396 UCZBZLPKLSJZMH-SECBINFHSA-N 314.216 3.417 10 10 DGCE O=C(O)/C=C\c1ccc(N2C[C@H]3CSC[C@H]3C2)c(Cl)c1 711573178 KJGDFNVBPUWZOT-AGQFFEFTSA-N 309.818 3.237 10 10 DGCE CCOc1ccc(CN2C[C@H](C)O[C@](C)(C(F)F)C2)c(O)c1 827962070 FKKHQPLMAKTEEG-ZBEGNZNMSA-N 315.360 3.035 10 10 DGCE O=S(=O)(/C=C\c1ccc(F)cc1)Nc1ccc(O)cc1F 588450353 HHGBLPJAXDFWCR-FPLPWBNLSA-N 311.309 3.083 10 10 DGCE COc1ccc(O)c(CNC(=S)Nc2ccccc2C)c1 733906024 GWANXSBKPQISLI-UHFFFAOYSA-N 302.399 3.196 10 10 DGCE CC[C@H](C)N1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 835053884 FUMNILFRTTUJTH-LXXRFIIISA-N 301.478 3.182 10 10 DGCE C[C@@H]1[C@H](N2CCCC2)CCN1C/C=C/c1ccc(N(C)C)cc1 835052935 ITESIKJMGSVEFQ-AJWBFMOXSA-N 313.489 3.324 10 10 DGCE CCCN(CCC)c1ccc(CN2CC[C@@H](N)[C@H](C)C2)cc1 843051709 KSAYTYBGHVUEKG-VQIMIIECSA-N 303.494 3.482 10 10 DGCE C[C@H](CNCc1cc(F)ccc1O)COCc1ccccc1 389952141 XQKFNEXSVXJITG-CQSZACIVSA-N 303.377 3.474 10 10 DGCE O=C(CCCOCc1ccccc1)NCc1c(O)cccc1F 928712321 REAIWLYYCQOLHH-UHFFFAOYSA-N 317.360 3.145 10 10 DGCE C[C@@H](NCC1(O)CCC(F)(F)CC1)c1cc(F)ccc1O 850566290 KYJGONZSUXQFQL-SNVBAGLBSA-N 303.324 3.122 10 10 DGCE CC(C)[C@H]1CC[C@@H]1NCc1ccc(N2CCC(O)CC2)cc1 850567966 MXIUSVJEZKAUJF-MOPGFXCFSA-N 302.462 3.172 10 10 DGCE C[C@H](NCC[C@@H](O)C(F)F)c1cc(Cl)c(Cl)cc1O 866442678 QKJZWDRGRRXDRU-QUBYGPBYSA-N 314.159 3.366 10 10 DGCE C[C@H](N[C@@H](C1CCC1)[C@H]1CCOC1)c1cc([N+](=O)[O-])ccc1O 866513021 RHGPUTCRVCPLKH-BNLOLNQZSA-N 320.389 3.156 10 10 DGCE C[C@H](NC(=O)[C@@]1(C)C=CCC1)c1ccc(N2CCOCC2)cc1 930745223 UCNWTHDYUCEEHO-KXBFYZLASA-N 314.429 3.057 10 10 DGCE CCO[C@H](C)c1ncc(C(=O)N2Cc3cccc(O)c3C2)s1 871203090 RUGCYKWWKGNRGS-SNVBAGLBSA-N 318.398 3.102 10 10 DGCE CCCN(CCC)c1ccc(CN[C@@H](C)C(=O)N(C)CC)cc1 788972625 CJCHICHXHLZOOH-INIZCTEOSA-N 319.493 3.269 10 10 DGCE CCOc1ccc(O)c(CN2CC[C@@H](c3nccs3)C2)c1 895583587 LXNVFEVPFXPWCS-GFCCVEGCSA-N 304.415 3.237 10 10 DGCE c1cc2c(cc1CN[C@@H](C1CC1)[C@H]1CCCCO1)CCCO2 1202993739 QAXCTXSZDAGFRF-MOPGFXCFSA-N 301.430 3.449 10 10 DGCE COc1ccc2c(c1)CCCCN2CC[C@@H]1COC(C)(C)O1 1168245075 XWIPGXWJMIGVRA-MRXNPFEDSA-N 305.418 3.380 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)Nc2cc(Cl)ccn2)cc1 1160699786 HGBQVIZNPCAFSU-UHFFFAOYSA-N 303.709 3.150 10 10 DGCE CCO[C@@H]1CCN([C@H](C)c2cc(Br)ccc2O)C1 701662482 SRHCTZLOJGFXGW-ZYHUDNBSSA-N 314.223 3.327 10 10 DGCE C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NCc1ccccc1O 397995895 BWLLORXDBTVQFE-APWZRJJASA-N 310.441 3.392 10 10 DGCE C[C@@]12CNC[C@@]1(C)CN(Cc1cc(Cl)cc(Cl)c1O)C2 705686566 YNRNHQXLGOEUCL-GJZGRUSLSA-N 315.244 3.130 10 10 DGCE COc1ccc(CNCc2cc(Cl)cc(Cl)c2O)nc1 1308806549 ZBNZDSFUVHBEBT-UHFFFAOYSA-N 313.184 3.392 10 10 DGCE CCc1ccc(F)cc1C(=O)NCc1ccc(N(C)C)cc1 1348912196 VLFQCXYOTNZPSB-UHFFFAOYSA-N 300.377 3.384 10 10 DGCE CCCC1(C(=O)N[C@H](C)CNCc2ccc(OC)c(C)c2)CC1 1274913294 NHXJBUUXWCKGFQ-OAHLLOKOSA-N 318.461 3.178 10 10 DGCE O=S(=O)(Nc1ccc(O)cc1Cl)[C@@H]1CCCC[C@H]1F 2118891113 BPBJWFPWXPUJER-ZYHUDNBSSA-N 307.774 3.068 10 10 DGCE CC[C@@](C)(O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 1542412233 SJBUWELQDFRMMU-LJQANCHMSA-N 318.461 3.233 10 10 DGCE COc1ccccc1/C(C)=C/C(=O)NCc1cc(C)ccc1O 1557554394 YITANFLYPADPMA-SDNWHVSQSA-N 311.381 3.429 10 10 DGCE CN(C(=O)c1ccc(N=NC(N)=O)cc1)c1ccc(F)c(F)c1 1626762542 XCRTZJMVVLAJCP-UHFFFAOYSA-N 318.283 3.404 10 10 DGCE Cc1ccc(O)c(CNc2cc(C)nc(-c3cccnc3)n2)c1 1559240670 YMVJZBIGEGLPPM-UHFFFAOYSA-N 306.369 3.473 10 10 DGCE C[C@@H](NC(=O)c1ccnc(-n2cccc2)c1)c1ccccc1O 1648891788 HLCBZIUDVYVTGC-CYBMUJFWSA-N 307.353 3.069 10 10 DGCE C[C@@H](NC(=O)c1cccc2ccc(O)nc12)c1ccccc1O 1643742019 KGXCCLOMVIMMFN-LLVKDONJSA-N 308.337 3.137 10 10 DGCE COc1ccc(C2=C/C(=C\c3ccccn3)C(=O)O2)c(OC)c1 6396683 GCZJRXKVENLXIP-FMIVXFBMSA-N 309.321 3.080 10 10 DGCE Oc1cc(-c2nc3ccc(Br)cc3[nH]2)cc(O)c1O 2132405294 YFOCLKKEBYRSBS-UHFFFAOYSA-N 321.130 3.109 10 10 DGCE C[C@@H](C(=O)N1CCOc2ccc(N(C)C)cc2C1)c1ccccc1 823736375 CEBSIBMJRJTUEW-OAHLLOKOSA-N 324.424 3.277 10 10 DGCE CC[C@]1(C)N(C(=O)OC(C)(C)C)CC[C@@]1(N)c1ccccc1O 1900199627 XNGKRQFIAGNAMR-ZWKOTPCHSA-N 320.433 3.356 10 10 DGCE CC(C)(C)OC(=O)N[C@@H](C[C@H](N)c1ccccc1O)C1CC1 1928473406 AXVFKWAMBJUCQN-KBPBESRZSA-N 306.406 3.085 10 10 DGCE C[C@@H](CCCCCO)Nc1c(N)cccc1Br 2006109405 WEOAXMVPEDBOJY-JTQLQIEISA-N 301.228 3.384 10 10 DGCE CO[C@H](C)CCN(C)Cc1ccc(Br)cc1O 2009689165 HRYGVXGTSSJDNK-SNVBAGLBSA-N 302.212 3.012 10 10 DGCE CC[C@@H](N)Cc1cnc(Sc2nc(C)c(C)c(C)n2)s1 2155360462 JCUPMVVKDLHVPO-LLVKDONJSA-N 308.476 3.289 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)Cc2cccc(Br)c2)C1 403705708 VXKKMHQIJLJSTF-GFCCVEGCSA-N 323.194 3.293 10 10 DGCE C[C@@H]1CCCC[C@H]1S(=O)(=O)Nc1ccc(O)c(Cl)c1 407404092 FQTDYQREXHHYIM-NOZJJQNGSA-N 303.811 3.366 10 10 DGCE CCS[C@H]1CCN(c2ccc(CN)cc2Br)C1 382928503 FBMMNLHZNUZWDL-NSHDSACASA-N 315.280 3.240 10 10 DGCE CC[C@@H](NCc1n[nH]cc1C)c1cc(Br)ccc1O 716491624 PXUBPEYXZNCZOK-GFCCVEGCSA-N 324.222 3.427 10 10 DGCE Oc1ccc(Br)cc1CNc1cncc(Cl)n1 804826835 HETWZVXSYFJJJX-UHFFFAOYSA-N 314.570 3.210 10 10 DGCE CCN[C@H](C)c1ccc(N2CC(CF)(OC)C2)cc1Cl 2168886856 CPDJGDHDOALKPQ-LLVKDONJSA-N 300.805 3.185 10 10 DGCE COc1ccc(CNC[C@@]2(Br)CC2(F)F)cc1C 2082492928 KYROPIRIFJBRDB-LBPRGKRZSA-N 320.177 3.266 10 10 DGCE CC[C@H](NCc1ccnnc1)c1cc(Br)ccc1O 2095526637 NLBCSILOTAJWRX-ZDUSSCGKSA-N 322.206 3.186 10 10 DGCE Cc1ccc(CNC[C@]2(F)C[C@H]2C)c(O)c1Br 2307478435 XRZLNXXJKXYIKZ-NOZJJQNGSA-N 302.187 3.301 10 10 DGCE CCCN1N=C(CC)C(=Cc2ccc(OCC)c(OC)c2)C1=O 2332124571 QCSLHITZENHKKJ-UHFFFAOYSA-N 316.401 3.496 10 10 DGCE Cc1ccc(CNC(=O)[C@H]2CC[C@H]2C)c(O)c1Br 2327799059 PZBCMZKTNZOGSQ-KCJUWKMLSA-N 312.207 3.125 10 10 DGCE COc1ccc2c(c1)NC1(CCCC1)CN2C[C@@H]1CCCNC1 75280915 VWSQDHQXHXUCQA-OAHLLOKOSA-N 315.461 3.240 10 10 DGCE C[C@](NCCN=[N+]=[N-])(C(=O)O)c1ccc(Cl)cc1Cl 90256269 BDUKOXGJYHXVDH-LLVKDONJSA-N 303.149 3.193 10 10 DGCE CN(C)c1ccc(CNC(=O)N2CCCC(C)(C)C2)cc1F 112746874 ZEAZOBGYSYVFSJ-UHFFFAOYSA-N 307.413 3.223 10 10 DGCE CC[C@@H]1CCCCCN1c1cc2c(cc1Cl)[C@H](N)C(=O)N2 125175261 QDPNHLALKICXLZ-BMIGLBTASA-N 307.825 3.451 10 10 DGCE CCCN[C@H]1C(=O)Nc2cc(N(C)CC(F)F)c(Cl)cc21 136851309 CCSMNCIUPOPRTD-CYBMUJFWSA-N 317.767 3.034 10 10 DGCE C[C@@H](NC(=O)NCCCSc1nccs1)C(C)(C)C 153522389 FENSNDMOXAXPFO-SNVBAGLBSA-N 301.481 3.359 10 10 DGCE C[C@@H](NC[C@H]1CCCS1)c1ccc(N2CCOCC2)cc1 168653156 ZGXQELARTZCPSZ-RHSMWYFYSA-N 306.475 3.069 10 10 DGCE COc1ccc(O)c(CN2C[C@@H](c3ccccc3)OC[C@H]2C)c1 180021822 FIMHPVSPNJSPDG-KUHUBIRLSA-N 313.397 3.363 10 10 DGCE Cc1cccc(CNC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1O 230393656 LMHWDEKABVDOFM-AWEZNQCLSA-N 320.433 3.047 10 10 DGCE CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1NCc1ccccc1O 230684969 AILHQXKBDJHKDC-HIFRSBDPSA-N 320.433 3.175 10 10 DGCE Cc1cc(F)c2c(c1)CCCN2C(=O)/C=C\c1cnn(C)c1C 255054191 FWRGRGCMUTYNGC-SREVYHEPSA-N 313.376 3.169 10 10 DGCE CC[C@@H]1CCN(c2cc(Br)c(CN)cc2F)C1 310229814 PQWHNGACUCBHNC-SECBINFHSA-N 301.203 3.283 10 10 DGCE CS[C@H]1CC[C@H]1NCc1cc(Br)ccc1O 390573306 VNHRNJRKUQTWCP-PWSUYJOCSA-N 302.237 3.138 10 10 DGCE c1ccc2c(c1)OC[C@@H](CNCc1ccc(N3CCCC3)cc1)O2 393429826 SFCMQYRMOKUQQX-GOSISDBHSA-N 324.424 3.216 10 10 DGCE c1cnn(-c2ccc(NCc3ccc(N4CCCC4)cc3)cc2)n1 393443218 YXJCWCDDHDVHCV-UHFFFAOYSA-N 319.412 3.480 10 10 DGCE COC(C)(C)CN(C)c1ccc([C@H](C)N)cc1Br 404326332 SWKSCEDWYDYPDX-JTQLQIEISA-N 315.255 3.330 10 10 DGCE Cc1ccncc1/C=C/C(=O)N(C[C@H]1CCCO1)c1ccncc1 492496091 ZTQXBVUFBLENDA-SHCNBLLESA-N 323.396 3.010 10 10 DGCE COc1ccc(Cl)c(O)c1[C@@H](CC(C)C)N1CCNCC1 575285631 XSJOUAZZRXTCTG-CYBMUJFWSA-N 312.841 3.047 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)c1sccc1Br 701176131 VWLIVHDXLHTQMA-SSDOTTSWSA-N 315.196 3.426 10 10 DGCE Cc1ccn2cc(CN[C@H](C)c3cc(F)cc(F)c3O)nc2c1 756533441 HQJWTJKPMGHDDF-LLVKDONJSA-N 317.339 3.477 10 10 DGCE C[C@H]1CC[C@@H](C)CN1Cc1ccc(N2CCN(C)CC2)cc1 775702753 WLTHQWKBLWLTPL-SJORKVTESA-N 301.478 3.059 10 10 DGCE CC[C@H](N[C@H](C)c1cc(C(=O)OC)ccc1O)C(F)(F)F 786972323 CCVPORRNROFWGX-PELKAZGASA-N 305.296 3.170 10 10 DGCE CN1CCCc2cc(CN[C@@H]3CCN(C)[C@H]4CCC[C@H]43)ccc21 796726885 GIUFSKXTQIACGC-NSHGMRRFSA-N 313.489 3.031 10 10 DGCE Cc1cc(C)c(C(=O)NCc2cc(Br)ccc2O)o1 804736682 YTNXTXCPTINWQI-UHFFFAOYSA-N 324.174 3.295 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(OCC)cc1 808095226 AEGCVQPGTMPDEM-UHFFFAOYSA-N 320.385 3.207 10 10 DGCE CCc1cccc(CN2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1O 848915829 MKJKXHXPXCVEFO-KSZLIROESA-N 303.446 3.470 10 10 DGCE CC(C)(C)N1CC[C@H]1CNCc1c(O)ccc(Cl)c1F 850343899 SZDOIQQNUDFXLW-JTQLQIEISA-N 300.805 3.147 10 10 DGCE COC(=O)CC(C)(C)C[C@H](C)NCc1ccc(N(C)C)c(F)c1 850430155 IVFTTYZOPPXQMY-ZDUSSCGKSA-N 324.440 3.349 10 10 DGCE CC[C@H](NC[C@H](OC)[C@@H]1CCOC1)c1cc(Cl)ccc1O 850484265 FYGLXESRPKOLPD-WPGHFRTFSA-N 313.825 3.138 10 10 DGCE CN(C)c1cc(F)c(CN[C@@H](C2CC2)[C@H]2CCCCO2)cc1F 858186092 QJBITCUVFHWASS-MSOLQXFVSA-N 324.415 3.468 10 10 DGCE CC[C@H](NC[C@@H]1CCC2(CCOCC2)O1)c1ccccc1O 878362504 BDQDOQCABBQYKO-HOCLYGCPSA-N 305.418 3.161 10 10 DGCE COc1ccc2c(c1)C[C@@H](C(C)C)CN2CCc1cnn(C)c1 1307863495 GXXLEARWBOTBIE-QGZVFWFLSA-N 313.445 3.306 10 10 DGCE CC(C)COc1ccccc1C(=O)NCc1cccc(O)c1O 1350299938 LKKGGDVITJTUMW-UHFFFAOYSA-N 315.369 3.063 10 10 DGCE Cc1ccc2cc(C(=O)NCc3c(O)cccc3F)ccc2n1 1471975631 AMBLKOMZXLHYBH-UHFFFAOYSA-N 310.328 3.318 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H]1/C=C/c1ccccc1 1472163087 LKFJGWQWWPYHSX-SYJIQKIWSA-N 323.392 3.345 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@H](C)[C@H]2CCCO2)cc1F 1543251560 SOCBEOFELISKDM-CXAGYDPISA-N 322.424 3.103 10 10 DGCE CCOc1ccc(N(C)C[C@@H]2CCC[C@@]3(CCOC3)O2)cc1 1620559743 BHZWYUVSYUAJMM-ROUUACIJSA-N 305.418 3.250 10 10 DGCE CC[C@@H](NC(=O)c1cc(C)ccc1-n1c(C)ccc1C)[C@H](C)O 1635346956 VTNPMNDMBUYGCT-DOTOQJQBSA-N 314.429 3.292 10 10 DGCE C/C(=C\C(=O)NCc1c(O)cccc1O)c1ccccc1Cl 1647269524 GJZRVRJLXRNTRN-PKNBQFBNSA-N 317.772 3.471 10 10 DGCE CC[C@@H]1CCN(Cc2c(O)cccc2Br)CCO1 1913682098 HOKKIEQQZQLKFT-LLVKDONJSA-N 314.223 3.156 10 10 DGCE CN(C)[C@@H]1CCC[C@@H]1NCc1cc(Cl)cc(Cl)c1O 1921758006 VIOVSEGWDLSYJQ-QWHCGFSZSA-N 303.233 3.271 10 10 DGCE CC(C)C[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)c1ccccc1O 1928477901 ZWAIXAAFKSWJBC-HIFRSBDPSA-N 308.422 3.331 10 10 DGCE Cc1ccc(O)c(CN[C@H]2C[C@@H](CNC(=O)OC(C)(C)C)C2)c1 1936010850 KTXLFLJHMFVEPM-OTVXOJSOSA-N 320.433 3.094 10 10 DGCE CSC1CN(c2ccc([C@H](C)O)cc2Br)C1 1939037209 FGOPQDNEELOASO-QMMMGPOBSA-N 302.237 3.054 10 10 DGCE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]2CCC[C@@H]2N1CCN=[N+]=[N-] 1962288469 WTGVSEWWFAXKEK-XQQFMLRXSA-N 309.414 3.064 10 10 DGCE COc1ccc(Br)c(CN[C@H](C)C(C)C)c1O 1964020260 VUEOCZQGKKOXKC-SECBINFHSA-N 302.212 3.297 10 10 DGCE C[C@H]1CC[C@@H](CCNCc2cccc(Br)c2O)O1 1967777228 VSSHKAQFOQRGAW-JQWIXIFHSA-N 314.223 3.202 10 10 DGCE CSC[C@H]1C[C@H](NCc2ccc(Br)cc2O)C1 1974443044 BDUNRYAMJSHNKB-OTCDBFHCSA-N 316.264 3.386 10 10 DGCE CC=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](N)c1ccccc1O 1974819677 ADBJLQSKUUJKNK-UKRRQHHQSA-N 306.406 3.252 10 10 DGCE COc1cccc(O)c1CNC[C@H](C)COCc1ccccc1 1976858185 MMPDVCAXMZRLCA-HNNXBMFYSA-N 315.413 3.343 10 10 DGCE Cc1cccc(O)c1CNC[C@H]1CCCN1C(=O)OC(C)(C)C 1976877375 NYDZNYKOTWBQEE-CQSZACIVSA-N 320.433 3.190 10 10 DGCE C[C@H](O)c1ccc(N2C[C@H]3C[C@H]2[C@H]2C[C@H]32)c(Br)c1 2041511234 QBRVUQDYADKYDW-BLYSDKNSSA-N 308.219 3.347 10 10 DGCE CO[C@H]1CC[C@@H](NCc2ccc(Br)cc2O)CC1 2042518840 HINZEOKMJBYQKC-BETUJISGSA-N 314.223 3.202 10 10 DGCE Cc1onc(CN2CCC(CN=[N+]=[N-])CC2)c1Br 2055412499 DPFVXIRBQIXERF-UHFFFAOYSA-N 314.187 3.268 10 10 DGCE C[C@@H](c1ccc(F)cc1O)n1nc(C2CC2)cc1CN(C)C 2070138923 XRHSEJUIZPQSLE-NSHDSACASA-N 303.381 3.276 10 10 DGCE C[C@H](c1cc([N+](=O)[O-])ccc1O)n1ncc(-c2ccccc2)c1N 2070222885 BUZXWEATMCNJOL-LLVKDONJSA-N 324.340 3.355 10 10 DGCE CC[C@H](c1ccc(OC)cc1O)n1nc(C(C)C)c(C=O)c1N 2079984826 LNFHZENDQFGTJU-CQSZACIVSA-N 317.389 3.115 10 10 DGCE OCc1ccc(N2CCS[C@H]3CC[C@H]32)cc1C(F)(F)F 2152205296 GOEMISSWOYRNRW-OLZOCXBDSA-N 303.349 3.282 10 10 DGCE CP(C)(=O)[C@H]1CCCN(c2ccc(CN)c(F)c2F)C1 2159330789 QVEIKTDMGCLCIG-NSHDSACASA-N 302.305 3.015 10 10 DGCE C[C@@H](N)c1ccc(N(C)C[C@@]2(C)CSCCO2)c(Cl)c1 2201256733 KUKSYNVQRFAECM-ABAIWWIYSA-N 314.882 3.318 10 10 DGCE CN[C@@H](C)c1ccc(N(C)Cc2nc(C)ns2)c(Cl)c1 2288840854 YFEISQZFQQXWBZ-VIFPVBQESA-N 310.854 3.417 10 10 DGCE CCCCN1C(=O)C(=CC=C2SCCN2C)SC1=S 2294737376 LKHOSQNUTJPPBI-UHFFFAOYSA-N 314.501 3.051 10 10 DGCE N[C@@H](c1ccccc1O)[C@H](O)c1ccc(C(F)(F)F)s1 2295020056 VRDDMTVRJPGXAH-NWDGAFQWSA-N 303.305 3.206 10 10 DGCE CC1(C)c2ccccc2N2CCC(=O)N[C@]21C=Cc1cccnc1 2297451015 KCMDCTVPBIDKAE-HXUWFJFHSA-N 319.408 3.109 10 10 DGCE CCN(C(=O)C=Cc1cnn(-c2ccccc2)c1)c1ccncc1 2297569718 WMKQLRQBJPOWNN-UHFFFAOYSA-N 318.380 3.334 10 10 DGCE COc1ccc(C2=NN(C)C(=O)C2=Cc2cccc(C)c2)cc1 2332141228 NXLPHAMQJQOJKO-UHFFFAOYSA-N 306.365 3.263 10 10 DGCE COC(=O)/C=C/c1ccc(N2CCCC[C@H]2C)c([N+](=O)[O-])c1 105777703 VDYUCUIHWOHVHE-YPUOHESYSA-N 304.346 3.160 10 10 DGCE CN(Cc1ccccc1O)C(=O)NCCCc1cccc(F)c1 69467758 KBIQNYSDADTOTR-UHFFFAOYSA-N 316.376 3.306 10 10 DGCE CC(C)NCc1ccc(N(CCO)Cc2ccccc2)c(F)c1 302931635 FBZCDLZUPCOZMQ-UHFFFAOYSA-N 316.420 3.323 10 10 DGCE Cc1ccc(C2=C/C(=C3/OC(=O)c4ccccc43)C(=O)O2)cc1 20366823 CQBMKOXFFHRWQN-ICFOKQHNSA-N 304.301 3.474 10 10 DGCE C[C@H](N[C@H]1C[C@H]1NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 300211553 QYODGZFKAQALKY-VBNZEHGJSA-N 319.449 3.069 10 10 DGCE COc1cccc2c1C(=O)c1ccc3c(c1C2=O)C(=O)C[C@@H](C)C3 3781998 ZUCWNLVDTXGGSU-JTQLQIEISA-N 320.344 3.236 10 10 DGCE biogenic,in-vitro C[C@@H](N[C@H]1CCN(CC2CCCC2)C1)c1ccc(F)cc1O 185594970 ANWBMKWCHZKJNL-CJNGLKHVSA-N 306.425 3.446 10 10 DGCE C[C@H](N[C@H](Cc1ccccc1)CN(C)C)c1cc(F)ccc1O 185091908 PXQJSGZRIIMUSS-WMLDXEAASA-N 316.420 3.355 10 10 DGCE CN(C)c1ccc(CN[C@@H]2CCN(c3ccccc3)C(=O)C2)cc1 192983859 XFPCYMPDOQYVNX-QGZVFWFLSA-N 323.440 3.038 10 10 DGCE COc1cc(Cl)c(N(C)CC[C@H](N)C(C)C)c(OC)c1 2368108424 OPZBOSHTQIYEJA-ZDUSSCGKSA-N 300.830 3.167 10 10 DGCE Cc1cc(N(C)Cc2ccccc2O)nc(-c2ccncc2)n1 131412839 HJFQEDFWNJJYPK-UHFFFAOYSA-N 306.369 3.189 10 10 DGCE COc1cc(Cl)c(N(CC(C)C)C[C@@H](C)O)c(OC)c1 2368287914 MBRVUBXRGJBDHX-LLVKDONJSA-N 301.814 3.200 10 10 DGCE CC(=O)c1cc(Cl)cc(CN[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c1O 528759667 VFEXKFPYCRYCEW-APKCBFJXSA-N 311.809 3.150 10 10 DGCE C[C@H](c1ccccc1O)N1CCc2sccc2[C@H]1C(=O)O 251542468 OYWWYKBZLLVPRX-BMIGLBTASA-N 303.383 3.199 10 10 DGCE CCC(=O)Nc1ccccc1C(=O)N(C)Cc1ccccc1O 812475768 ZVNKERRQBRLFLE-UHFFFAOYSA-N 312.369 3.013 10 10 DGCE CNCc1ccc(N(C)Cc2cc(OC)ns2)cc1Cl 722392864 XCKNBZOVNRFEGE-UHFFFAOYSA-N 311.838 3.161 10 10 DGCE CCN(CC)c1ccc(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)O)cc1 902009817 ZTYYJHFFPUTNIE-SZMVWBNQSA-N 316.445 3.218 10 10 DGCE Cc1ccc(O)c([C@H](C)NC[C@@H]2CC[C@@H](C(F)(F)F)O2)c1 903180305 YWHRDTKWZKNJQU-MJVIPROJSA-N 303.324 3.461 10 10 DGCE CC[C@]1(CO)CCCN(C/C=C\c2ccc(N(C)C)cc2)C1 835045571 IXHWKPSZITXDHY-WPGJWXSHSA-N 302.462 3.250 10 10 DGCE CC[C@@H]1C[C@@H](C)CN1c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] 745975219 FUNPXOASAJNQBQ-QJUZWUIZSA-N 318.373 3.406 10 10 DGCE Cc1ccc([C@@H]2CCN(C(=O)NCCc3ccc(N)cc3)C2)cc1 841956680 DUDBQKKOMNWRQL-GOSISDBHSA-N 323.440 3.319 10 10 DGCE c1csc(SCCCN[C@@H]2CC[C@H]3COCC[C@H]3C2)n1 921756596 YWDULCOLUQDBQZ-MELADBBJSA-N 312.504 3.420 10 10 DGCE CC(C)[C@H]1CCCC[C@H]1NC(=O)NCCc1ccc(N)cc1 841787523 CXAXRNSMCHDQQL-IAGOWNOFSA-N 303.450 3.325 10 10 DGCE CC(C)[C@H](O)[C@@H](NCc1ccc2c(c1)CCO2)c1ccccc1 850395842 ZVTYMIKZVGKMPR-PMACEKPBSA-N 311.425 3.469 10 10 DGCE COc1cccc([C@]2(C)CCN(C(=O)c3cc(O)cs3)C2)c1 855838779 RGLGMRPMRFSRIT-QGZVFWFLSA-N 317.410 3.266 10 10 DGCE C[C@@H]1C[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)CCS1 922837314 SIFADIFUJCMQPG-HIFRSBDPSA-N 324.465 3.036 10 10 DGCE c1csc(SCCCN[C@H](C2CC2)[C@@H]2CCCOC2)n1 925104381 YDTVHJGDGQTSQL-ZIAGYGMSSA-N 312.504 3.420 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3C[C@H]3CC(C)C)C2)cc1 855224783 HCMIIVZBCHKWJY-IIDMSEBBSA-N 316.445 3.072 10 10 DGCE O=C(NCc1ccc(N2CCCC2)cc1)N1CC(CC2CC2)C1 856840070 NSKXIAHSCGKNGX-UHFFFAOYSA-N 313.445 3.228 10 10 DGCE COc1cc(CN[C@@H]2C[C@H](O)C23CCC3)c(O)c(C(C)(C)C)c1 850388510 NIGLHAXHUBYORD-CVEARBPZSA-N 319.445 3.091 10 10 DGCE COc1ccc(N(C)CCN(C)[C@H](C)c2ccc(F)nc2)cc1 930852064 GEUCVYFVXLNIGK-CQSZACIVSA-N 317.408 3.359 10 10 DGCE COc1ccc(N2CC[C@@H](CNC[C@@]3(C)CCCS3)C2)cc1 862397154 CAEJWRZJCYHMLP-MAUKXSAKSA-N 320.502 3.397 10 10 DGCE CN(C)c1cc(F)c(CN2CC(Cc3ccco3)C2)cc1F 862485576 AEVJXVAOAIRBMX-UHFFFAOYSA-N 306.356 3.298 10 10 DGCE Cc1cc(Cl)cc(CNC[C@@H]2CCCN2CC(F)F)c1O 862469022 WONJLKMPBBAAPT-ZDUSSCGKSA-N 318.795 3.173 10 10 DGCE COc1ccc(O)c([C@H](C)NC2CCC(C)(N(C)C)CC2)c1 866518050 RSJDPPAOCLPBCR-VNSJNIRKSA-N 306.450 3.314 10 10 DGCE COc1ccc(N2CC[C@H](N[C@@H]3CCCc4ncccc43)C2)cc1 866384944 GUUFUQHVTKBLLX-MGPUTAFESA-N 323.440 3.336 10 10 DGCE CCN(C)c1ccc(CN2CCC(CN3CCCC3)CC2)cc1 773732238 ZQEJGHCYKLIWKG-UHFFFAOYSA-N 315.505 3.451 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@@]12CC[C@@H](CO1)C2 1878833162 AGSGUJXVUWBOKL-OTYXRUKQSA-N 302.201 3.358 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)C[C@@H]2C=CCCC2)cc1 1130544534 RCWOGWQQQAIOMO-MRXNPFEDSA-N 316.445 3.336 10 10 DGCE CN(C)c1ccc(CN2CC[C@H](c3nccs3)C2)cc1F 895585104 WBOVQXABXVVTLR-ZDUSSCGKSA-N 305.422 3.338 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@]12CCOC[C@@H]1C2 1880208378 PAEYLRKLEVMCOH-IINYFYTJSA-N 302.201 3.215 10 10 DGCE CN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@H](C(F)(F)F)C1 797190965 SIDRNSLTQMVOFQ-PWSUYJOCSA-N 301.308 3.329 10 10 DGCE C[C@@H](NC(=O)c1ccc(-n2cccc2)nc1)c1ccccc1O 1302530304 KINNFGVMWTUDDJ-CYBMUJFWSA-N 307.353 3.069 10 10 DGCE Oc1cccc(F)c1CNC[C@H]1CCN(Cc2ccccc2)C1 1964033355 SXKKBAHPPFNOAJ-MRXNPFEDSA-N 314.404 3.143 10 10 DGCE COC(=O)c1sc(NCc2c(O)cccc2F)nc1Cl 1164185475 IESIXYIYOZMPJQ-UHFFFAOYSA-N 316.741 3.040 10 10 DGCE CN[C@@H](C)c1ccc(N(C)C[C@H](C)OC)cc1Br 393990227 PYKKVHMPTDGANY-QWRGUYRKSA-N 315.255 3.201 10 10 DGCE C[C@@H]1CCC[C@H](CNCc2cc(Br)ccc2O)O1 688864625 HDFZQCCPRPKNRN-ZWNOBZJWSA-N 314.223 3.202 10 10 DGCE OC[C@H](CCc1ccccc1)NCc1ccc(N2CCCC2)cc1 1339894688 DLMWUZVSPDEZEF-FQEVSTJZSA-N 324.468 3.370 10 10 DGCE COc1ccc(CN[C@@H](C)CN(C)C(=O)CCC2CC2)cc1C 1331410080 NJGVEWGRJAEUKC-HNNXBMFYSA-N 318.461 3.130 10 10 DGCE CN(C)c1ccc(/C=C\CN2CC[C@@H]3OCCC[C@H]3C2)cc1 1344439554 WKVJHZFYGMYAEJ-HWTQTHBUSA-N 300.446 3.267 10 10 DGCE c1cc(N2CCCC2)ccc1CNC[C@@H]1C[C@H]2CCC[C@H]2O1 1349625450 NPWWMYZJIHOVSU-NZSAHSFTSA-N 300.446 3.334 10 10 DGCE CCN(C(=O)c1cc(O)cs1)[C@H](COC)Cc1ccccc1 1465687560 VXDNTSJQYQLHIB-AWEZNQCLSA-N 319.426 3.174 10 10 DGCE CCOC(=O)c1ccccc1N(C)C(=O)/C(C)=C\c1cccnc1 1537331262 DHLSZNKVHDWYRS-OWBHPGMISA-N 324.380 3.325 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)CC1(CSC)CC1 1634944221 OQBRVQBNKMANME-UHFFFAOYSA-N 314.447 3.027 10 10 DGCE O=C(C[C@@H]1Cc2ccccc2O1)NCc1cccc(Cl)c1O 1648609420 XXCKJTHGBMJDTM-ZDUSSCGKSA-N 317.772 3.056 10 10 DGCE CCc1c[nH]c2ncnc(NCc3ccc4cccnc4c3O)c12 1640052151 UYLPUCIQXFUHHF-UHFFFAOYSA-N 319.368 3.386 10 10 DGCE [N-]=[N+]=N[C@@H]1CCN(C(=O)c2cc(F)ccc2Br)C1 1912183925 UTTDWBJWCURODB-MRVPVSSYSA-N 313.130 3.113 10 10 DGCE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CC(N=[N+]=[N-])C1 1912184535 FVUZFOBKEBKDPG-ZETCQYMHSA-N 315.160 3.282 10 10 DGCE CCN[C@]1(CO)C[C@H](Sc2nccs2)CC(C)(C)C1 2127165835 RBGUMZGFPDXILV-BXUZGUMPSA-N 300.493 3.155 10 10 DGCE CN[C@H](c1ccccc1O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 1936970401 LPCXOFUEHZIWKH-WWGRRREGSA-N 320.433 3.346 10 10 DGCE CCN(CC)c1ccc([C@@H](N)CCNC(=O)OC(C)(C)C)cc1 1977945703 PKVLRQHQRJLFFQ-INIZCTEOSA-N 321.465 3.447 10 10 DGCE CN(CCCN=[N+]=[N-])C(=O)c1cc(Br)cs1 1981389890 WMEKHCNPPNWRIF-UHFFFAOYSA-N 303.185 3.283 10 10 DGCE O[C@@H]1CCc2cc(N3CC[C@@H](OCc4ccccc4)C3)ccc21 1986603066 QFWWRMUTTDUNNT-UYAOXDASSA-N 309.409 3.462 10 10 DGCE N[C@@H](c1ccccc1O)[C@H](O)c1csc(C(F)(F)F)c1 2148160861 DUSIBGULONIOEW-NWDGAFQWSA-N 303.305 3.206 10 10 DGCE Cc1cc(CN)ccc1N1C[C@@H]2CCN(Cc3ccccc3)[C@H]2C1 2015066590 YQIIPLDJWPINMR-FPOVZHCZSA-N 321.468 3.164 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)c2ccc(Br)s2)C1 403728165 XPZLHCFDPRZGSN-ZETCQYMHSA-N 315.196 3.426 10 10 DGCE CN[C@@H](C)c1ccc(N2CCC=C(Br)C2)cc1O 404336501 DOKNPBHALBKMKW-JTQLQIEISA-N 311.223 3.162 10 10 DGCE Nc1ccc(CC(=O)Nc2ccc(Br)c(F)c2)cc1 88082145 HOINDTUTEZCBAR-UHFFFAOYSA-N 323.165 3.352 10 10 DGCE COc1cc(Cl)cc(CNCc2cncc(Cl)c2)c1O 702973625 NEQAXDKFAANHNV-UHFFFAOYSA-N 313.184 3.392 10 10 DGCE NCc1ccc(N2CCC[C@H](CF)C2)c(Br)c1 711483004 UNZGYWRNWLOLIH-LLVKDONJSA-N 301.203 3.094 10 10 DGCE c1cc(N2CCCC2)ccc1CN[C@H]1CCCCC12OCCO2 715646554 DVSURWDTQXELRT-SFHVURJKSA-N 316.445 3.062 10 10 DGCE C[C@@H](CNCc1ccc2c(c1)CCCO2)NC(=O)OC(C)(C)C 1202279670 JSUWCMSBNVRMAK-ZDUSSCGKSA-N 320.433 3.014 10 10 DGCE COc1nscc1CN(C)c1cc(Cl)c(CN)cc1F 2177386235 YKRIDHYUVQLBCJ-UHFFFAOYSA-N 315.801 3.039 10 10 DGCE Oc1ccc(Br)cc1Cn1ccc(C(F)F)n1 2070112881 VCHDEVHUWRKFFD-UHFFFAOYSA-N 303.106 3.337 10 10 DGCE Cc1cccc(CN[C@@H](C)CCN(C)C(=O)OC(C)(C)C)c1O 1172956676 DNAXKFIGOBDWMA-AWEZNQCLSA-N 322.449 3.436 10 10 DGCE C[C@H](O)c1ccc(N(CC(F)(F)F)C2COC2)cc1Cl 2196630860 RYJDVWLWVGJPSP-QMMMGPOBSA-N 309.715 3.161 10 10 DGCE NCc1cc(F)c(N2C[C@@H]3[C@@H](CCC3(F)F)C2)cc1Cl 2190003250 UCPTWZNVAHVFGC-WCBMZHEXSA-N 304.743 3.419 10 10 DGCE CC(F)(F)[C@H]1CCN(c2ccc(CO)c(Br)c2)C1 2042060542 XDFCGJTYYZNIMH-JTQLQIEISA-N 320.177 3.423 10 10 DGCE C[C@@H]1CO[C@H](CN(C)Cc2ccc(Br)cc2O)C1 2047489345 AZRUZTQZNWNSIV-GWCFXTLKSA-N 314.223 3.012 10 10 DGCE CNCc1ccc(N2C[C@H](F)C[C@@H](F)C2)c(Br)c1 2062399185 CAVQXNKFLZFNIC-GHMZBOCLSA-N 319.193 3.055 10 10 DGCE C[C@@H](N)c1ccc(N(C)CCOC(F)F)c(Br)c1 2082817088 ITGNBDRIXGDJCD-MRVPVSSYSA-N 323.181 3.144 10 10 DGCE C[C@@H]1C[C@@H]2CN(c3ccc(CN)c(Br)c3F)C[C@@H]21 2085513025 KJXKBLFZNNMNOI-FBIMIBRVSA-N 313.214 3.139 10 10 DGCE CN(C)c1ccc([C@](C)(O)c2cncc(Br)c2)cc1 2106797755 DNFUNECOYVARKG-HNNXBMFYSA-N 321.218 3.166 10 10 DGCE Cc1ccc([C@@H](O)[C@@H](N)c2ccccc2O)c(Br)c1 2091868684 UEUJKWMKAYYTNQ-LSDHHAIUSA-N 322.202 3.197 10 10 DGCE Nc1c(F)cc(Br)cc1NCc1ccccc1O 2217919925 LCNDMCLGADRIDG-UHFFFAOYSA-N 311.154 3.488 10 10 DGCE NC1(c2ccc(N3CCCCC3)cc2)CSCCSC1 2237044423 ACKUOIPSWMMBSC-UHFFFAOYSA-N 308.516 3.311 10 10 DGCE C[C@@H](N)c1ccc(N(C)CC[C@H]2CCO2)cc1Br 2263986697 RTNKXZWJRCEYOA-PWSUYJOCSA-N 313.239 3.084 10 10 DGCE O=C1C(=Cc2ccc(O)cc2)SC(=S)N1Cc1ccco1 2296663350 CYCRNJNZXCZOMF-UHFFFAOYSA-N 317.391 3.387 10 10 DGCE CC[C@@H](CNC(=O)C=Cc1ccc(O)c(O)c1)c1ccccc1 2307987425 BKJMGGLCTQJNSB-HNNXBMFYSA-N 311.381 3.421 10 10 DGCE CN1N=C(c2ccccc2)C(=Cc2ccc(N(C)C)cc2)C1=O 2332096482 MOLUPRMKGKIOGY-UHFFFAOYSA-N 305.381 3.012 10 10 DGCE Cc1ccc(CNC(=O)[C@@H]2CC[C@H]2C)c(O)c1Br 2327799062 PZBCMZKTNZOGSQ-LDYMZIIASA-N 312.207 3.125 10 10 DGCE CC(C)CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 5293873 FQBGNWSPZQSKEA-UHFFFAOYSA-N 307.349 3.447 10 10 DGCE O=C1N=C(O)/C(=C\c2c[nH]c3ccccc23)C(=O)N1C1CCCC1 33903023 SQUSOODTHXWMGM-NTEUORMPSA-N 323.352 3.413 10 10 DGCE CN(C)c1ccc2c(c1)[C@H](CN)N(c1cccc(Cl)c1)C2 71683301 SFMGDVNNQXSJEV-KRWDZBQOSA-N 301.821 3.426 10 10 DGCE Nc1ccc(OCCNc2cc(Cl)ccc2[N+](=O)[O-])cc1 123108628 CQTHARKOFGMINH-UHFFFAOYSA-N 307.737 3.321 10 10 DGCE COC[C@](C)(NCc1ccc(OC)cc1O)c1ccccc1 154657467 XSJVVWWMUOFXKX-SFHVURJKSA-N 301.386 3.052 10 10 DGCE Cc1cc(Br)cc(CN(C)CC(F)(F)F)c1O 160959362 UKPJZJJBMSKUGB-UHFFFAOYSA-N 312.129 3.457 10 10 DGCE Cc1cccc(-n2c(C)cc(C(=O)N[C@H]3CCCOC3)c2C)c1 170937278 VHEHEOSVEFGMHN-INIZCTEOSA-N 312.413 3.311 10 10 DGCE CC(=O)Nc1ccc(CN[C@@H](C)c2ccc(F)c(F)c2O)cc1 191190842 ULHWVPQHDLCQSD-JTQLQIEISA-N 320.339 3.480 10 10 DGCE Cc1cc(Cl)ccc1NC(=O)Nc1cc(O)c(O)c(O)c1 217278808 ZGYRYBGYUVTLNT-UHFFFAOYSA-N 308.721 3.409 10 10 DGCE Nc1ccc(CC(=O)Nc2cc(F)ccc2Br)cc1 226307140 PJHMGOQOWBWDFS-UHFFFAOYSA-N 323.165 3.352 10 10 DGCE CCNCc1ccc(N(C)CCOCc2ccccc2)c(C#N)c1 384154161 YNJXQFGMMWIXHI-UHFFFAOYSA-N 323.440 3.321 10 10 DGCE CC(C)N(C[C@H](C)O)c1ccc([C@@H](C)O)c(Br)c1 691520461 IYYDUNUYWKIBEP-WDEREUQCSA-N 316.239 3.098 10 10 DGCE CO[C@@H]1CN(Cc2c(O)cccc2Br)CC[C@H]1C 707138786 HFJUOGGRWKFGKI-QMTHXVAHSA-N 314.223 3.012 10 10 DGCE O=C(NCc1ccc(N2CC=CC2)cc1)NCC1CCCCC1 740919691 HJUZHQUOUVSKDN-UHFFFAOYSA-N 313.445 3.442 10 10 DGCE C[C@@H](NCc1ccc(CO)c(F)c1)c1cc(F)cc(F)c1O 756458338 LQRDTCYTZVDWBY-SECBINFHSA-N 311.303 3.153 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)Cc1cn2cccc(F)c2n1 768129013 CTZSKLOKWDAZGP-UHFFFAOYSA-N 312.392 3.171 10 10 DGCE Cc1cc(C)n([C@@H](C)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1 773009101 PDBHXQWPIPKNBW-GJZGRUSLSA-N 314.433 3.004 10 10 DGCE COC(=O)[C@@H]1CCCCCN1Cc1cc(Cl)cc(C)c1O 781526424 DCLWQXGDYVFANZ-AWEZNQCLSA-N 311.809 3.272 10 10 DGCE Oc1ccc(Cl)c(F)c1CN1CCC[C@@H](OC(F)F)C1 792174387 UUEUOABRFBZIGP-MRVPVSSYSA-N 309.715 3.388 10 10 DGCE CN1CC[C@H](NCc2ccc3c(c2)CCN3Cc2ccccc2)C1 796283444 FZSIQAJCVACQOY-FQEVSTJZSA-N 321.468 3.043 10 10 DGCE O=C1CCN1c1ccc(NCc2c(O)cccc2Cl)cc1 798502583 RKKIVUUJSZZTCE-UHFFFAOYSA-N 302.761 3.394 10 10 DGCE COc1cc2c(cc1F)CC[C@H]2NCc1cc(F)ccc1O 802658262 QFVOPNKZKNYOON-OAHLLOKOSA-N 305.324 3.456 10 10 DGCE COc1cc(Br)cc(CN2C[C@H](C)[C@@H]2C)c1O 816648604 MQFAVBZKJROALB-IUCAKERBSA-N 300.196 3.004 10 10 DGCE CN(Cc1ccc(N2CCCCC2)cc1)Cc1cnn2c1CCC2 824474915 WCJMZYSKEHPMAQ-UHFFFAOYSA-N 324.472 3.452 10 10 DGCE CN(C/C=C/c1ccc(N(C)C)cc1)C[C@@H]1CCCC[C@@H]1O 835043694 BETYYTFYLZVMTM-XZJTZLQGSA-N 302.462 3.249 10 10 DGCE CO[C@@H](CCNC/C=C\c1ccc(N(C)C)cc1)C(F)(F)F 835049434 DNGCKJOCCXAQRL-XVWMLYKFSA-N 316.367 3.323 10 10 DGCE Cc1cc(N(C)C)ccc1CN1CC=C(c2ccnn2C)CC1 840947796 GBTFSLUVHIGVPJ-UHFFFAOYSA-N 310.445 3.084 10 10 DGCE COc1cc(Cl)cc(CN[C@@H]2CCc3cc(N)ccc32)c1O 849352902 SBLLAVCPRHNXOT-OAHLLOKOSA-N 318.804 3.414 10 10 DGCE C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1C[C@H]1C1CC1 858194734 IJALVFJIEHZRPS-UAOJZALGSA-N 314.473 3.172 10 10 DGCE O=C(NCc1ccccc1O)[C@H]1[C@H]2c3ccc(Cl)cc3C[C@H]21 860233695 NXRYDHVZYYEXCK-HYVNUMGLSA-N 313.784 3.248 10 10 DGCE C[C@@H]1CC[C@@H](N[C@H](C)c2ccc(Cl)c(Cl)c2O)CN1 863544772 AQHCDSIKWIQGHJ-OPRDCNLKSA-N 303.233 3.490 10 10 DGCE COc1cc(CN[C@]23CCC[C@H]2OCC3)c(O)c(C(C)(C)C)c1 865857309 PIFWWXZGMKBQIH-APWZRJJASA-N 319.445 3.500 10 10 DGCE Cc1cc(C)c([C@H](C)NC[C@@H]2CC3(CCOCC3)CO2)c(O)c1 866530363 AAPWFSTUYZZIEK-HOTGVXAUSA-N 319.445 3.245 10 10 DGCE CCc1oc(CN2CCc3cc(OC)ccc32)cc1C(=O)O 901416056 SBQZWHIKZKDWBE-UHFFFAOYSA-N 301.342 3.112 10 10 DGCE CC[C@H](N[C@H]1CCCN2CCSC[C@@H]12)c1ccc(F)cc1O 903271661 JZSGKFFHLVYRCR-JYJNAYRXSA-N 324.465 3.152 10 10 DGCE O=C(NCc1cc(O)ccc1O)c1ccc(-c2ccco2)s1 1303225748 PFCFPTGQGZSAKC-UHFFFAOYSA-N 315.350 3.349 10 10 DGCE C=Cc1ccccc1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 1311110752 IQGVHBNSBVFAOO-LBPRGKRZSA-N 312.369 3.494 10 10 DGCE O=C(NCc1cc(O)ccc1O)c1cc2c(s1)CCCCC2 1471660560 CPUJUMMZPGRBAX-UHFFFAOYSA-N 317.410 3.358 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)C[C@H]2CC[C@@H](C)C2)cc1 1530908080 XHEHTSZVSXNJJS-CVEARBPZSA-N 318.461 3.416 10 10 DGCE COc1cc([C@H](CO)N=[N+]=[N-])ccc1NC(=O)OC(C)(C)C 1536011294 JCTISSBYYNTHLD-NSHDSACASA-N 308.338 3.386 10 10 DGCE CCC(C)(C)Cn1c(C)nnc1N(C)Cc1ccccc1O 1545187807 OALDTCOOTYLCKW-UHFFFAOYSA-N 302.422 3.365 10 10 DGCE O=C(NCC1(c2ccccc2)CCCC1)c1cccc(O)c1O 1623700013 ZGHCLBJCAKKENT-UHFFFAOYSA-N 311.381 3.340 10 10 DGCE CCN(CC)c1ccc(CNC(=O)C2(C3CC3)CC2)cc1F 1628769872 MWKZBULZEOUSEA-UHFFFAOYSA-N 304.409 3.478 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)c1ccc([N+](=O)[O-])cc1F 1632223860 PNFBNNHHHTUUCX-UHFFFAOYSA-N 324.695 3.023 10 10 DGCE O=C(/C=C\c1ccc(Cl)s1)NCc1c(O)cccc1O 1645366682 YKUXMISOXCGDGO-ALCCZGGFSA-N 309.774 3.142 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c1 1645800497 GXOWLNOKZAUASZ-UHFFFAOYSA-N 320.732 3.192 10 10 DGCE COc1ccc(N(C)CCN(C)CCC2(OC)CCC2)cc1 1654947282 IDAAAYHHOYDADN-UHFFFAOYSA-N 306.450 3.022 10 10 DGCE O=C([C@H]1CCCO1)N1CCn2c3c(c4ccccc42)CCC[C@@H]31 1858183672 UCQZYRSJHUAPND-DLBZAZTESA-N 310.397 3.040 10 10 DGCE CC(C)c1cccc2c(=O)cc(C(=O)Nc3ccc(N)cc3)[nH]c12 1866499897 KYCCDAWRCZFNRP-UHFFFAOYSA-N 321.380 3.486 10 10 DGCE C[C@H](NC[C@@H]1C[C@@H]1CNC(=O)OC(C)(C)C)c1ccccc1O 1895221465 UVYLRGHWLRILDQ-MELADBBJSA-N 320.433 3.204 10 10 DGCE Cc1nc(-c2ccsc2)sc1C(=O)N1CC(N=[N+]=[N-])C1 1912170472 XHIAUIGVBQOPMR-UHFFFAOYSA-N 305.388 3.315 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1C[C@H](N[C@H]2CCc3cccc(O)c32)C1 1938284061 XNJQTOIATBWTGZ-IHRRRGAJSA-N 318.417 3.025 10 10 DGCE Cc1ccc([C@H]2[C@@H](C(=O)O)CCN2C(=O)OC(C)(C)C)c(O)c1 1952821158 NEGVLKLDOCGBDN-JSGCOSHPSA-N 321.373 3.083 10 10 DGCE CC[C@H]1COCCN(Cc2ccc(Br)cc2O)C1 1964594939 TVOSHGQTLGOOBU-LLVKDONJSA-N 314.223 3.013 10 10 DGCE CC=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](N)c1ccccc1O 1974819680 ADBJLQSKUUJKNK-ZFWWWQNUSA-N 306.406 3.252 10 10 DGCE C[C@@H]1[C@H](NCc2c(O)cccc2F)CCN1Cc1ccccc1 1976877333 NERJTQWYXCAETI-RDTXWAMCSA-N 314.404 3.284 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](Nc3c(N)cccc3F)[C@H]21 1977677494 CLTWGHKSNGCZMY-DGFSRKRXSA-N 321.396 3.218 10 10 DGCE CCN[C@@H](CN(C)C(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1977947020 ZMRSKHIDAVHBBU-INIZCTEOSA-N 321.465 3.270 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H]2CN(c3ccc(N)cc3)CC[C@@H]21 1977967502 HDCRAPYVSDVGBN-BBRMVZONSA-N 317.433 3.105 10 10 DGCE C[C@H](O)c1ccc(N2CC(CCF)C2)c(Br)c1 1996950241 DGLHQZVDZBQLBF-VIFPVBQESA-N 302.187 3.298 10 10 DGCE C[C@@H](O)c1ccc(N2CCC[C@H]2CF)cc1Br 2004457072 YYQWBTGLFHKVOB-KOLCDFICSA-N 302.187 3.441 10 10 DGCE CCOc1ccc(CN[C@H]2c3cnn(C)c3CC[C@H]2F)cc1C 2062229452 UGNHJWGXEROTEN-QAPCUYQASA-N 317.408 3.242 10 10 DGCE COc1ccc([C@H](C)n2cc(C(=O)OC(C)(C)C)cn2)c(O)c1 2069977992 SRFKIYRRKRVFEB-NSHDSACASA-N 318.373 3.162 10 10 DGCE NCc1cc(C2CCCCC2)nn1Cc1cc(F)ccc1O 2070086711 INZCGVIDKXKLKV-UHFFFAOYSA-N 303.381 3.283 10 10 DGCE CCOC(=O)[C@H](NCCCN=[N+]=[N-])c1csc(Cl)c1 2098185759 LCBJYBGBSSDAHY-SNVBAGLBSA-N 302.787 3.296 10 10 DGCE Oc1cc(Br)ccc1CNc1ccc2cncn2c1 2131237274 DWUSVCZHLHTXKS-UHFFFAOYSA-N 318.174 3.415 10 10 DGCE NCc1ccc(N2CCO[C@H](c3cccs3)C2)c(Cl)c1 2171854842 LHCNXTVOOCJATN-AWEZNQCLSA-N 308.834 3.438 10 10 DGCE C[C@H](N(C)c1ccc(CN)c(F)c1)C(F)(F)C(F)(F)F 2182437301 MVIIRJQEZDGNBN-ZETCQYMHSA-N 300.246 3.307 10 10 DGCE Oc1c(Cl)cccc1CNCc1ccnn1C(F)(F)F 2199752246 QDANUKBMYOMBHF-UHFFFAOYSA-N 305.687 3.008 10 10 DGCE Cc1cccc(CNC(=O)c2cc(Cl)cc(Cl)n2)c1O 2204605375 MRINMKLMJFNOAB-UHFFFAOYSA-N 311.168 3.332 10 10 DGCE CSc1ncc(CNCC23C[C@@H]4CC(C[C@H](C4)C2)O3)s1 2208828377 ZSXXPVDXFYPIJB-ZLXYNXDPSA-N 310.488 3.302 10 10 DGCE COc1ccnc(C)c1NCc1cc(Br)ccc1O 2230115952 JNXCWHMMFXNDAS-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE CN[C@@H](C)c1ccc(N(C)C[C@@]2(F)CCOC2)cc1Cl 2238284502 KQBWXMXENZAGII-NHYWBVRUSA-N 300.805 3.185 10 10 DGCE COc1cc(C=CC(=O)N(C)Cc2ccccc2O)ccc1F 2303716188 KZGCKNSZYVHOAR-UHFFFAOYSA-N 315.344 3.212 10 10 DGCE Cc1ccc(CN[C@H]2[C@H]3[C@H]4[C@H]3C[C@@H]3[C@@H]2[C@@H]43)c(O)c1Br 2352947051 PEBKZXVNKYTCIW-DRTVCCORSA-N 320.230 3.063 10 10 DGCE Nc1cc(Cl)c(N2C(=O)CC(C(F)F)CC2=O)c(Cl)c1 2365778667 MBHRKOMPTQAINE-UHFFFAOYSA-N 323.126 3.110 10 10 DGCE COCCN1C(=O)/C(=C\c2cc(C)ccc2C)SC1=S 12802655 JKHCTSVEWMYAQC-UKTHLTGXSA-N 307.440 3.151 10 10 DGCE CNC(=O)c1cccc2c1N[C@H](c1cccnc1)[C@H]1CC=C[C@H]21 14547550 BQTHGZRZHNLOQC-GRDNDAEWSA-N 305.381 3.268 10 10 DGCE COc1ccc([C@](C)(Nc2cccc(Cl)c2)C(N)=O)cc1 37950280 UTAAKQXOPNFQJD-INIZCTEOSA-N 304.777 3.161 10 10 DGCE CCN(CC(=O)Nc1ccccc1Cl)c1ccc(N)cc1 63114920 DNUCEGBBHGCFIL-UHFFFAOYSA-N 303.793 3.387 10 10 DGCE CNCc1ccc(OC)c(C[S@](=O)c2ccc(Cl)cc2)c1 82000667 OOHJGYUQBDQIQC-OAQYLSRUSA-N 323.845 3.376 10 10 DGCE COc1ccc(CN2C[C@@H](C)OC[C@H]2c2ccccc2)c(O)c1 93660819 YCVIYPXRRZABEJ-KDOFPFPSSA-N 313.397 3.363 10 10 DGCE COc1ccc(CNC(C)C)cc1CSc1ncns1 131356298 UQNCZZWAPKQEKP-UHFFFAOYSA-N 309.460 3.337 10 10 DGCE CNCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(C(F)(F)F)c1 163654543 AEGHFIKSUJBZMK-QWRGUYRKSA-N 302.340 3.038 10 10 DGCE O=C1CC[C@H]2CN(Cc3cc([N+](=O)[O-])ccc3O)c3cccc1c32 184803057 KYPHSPPVWUHBLR-NSHDSACASA-N 324.336 3.381 10 10 DGCE CC[C@H](O)c1ccc2c(c1)[C@H](C)C(=O)N2Cc1ccc(N)cc1 213206576 XKNOLGXEIVCXPQ-SGTLLEGYSA-N 310.397 3.363 10 10 DGCE CCCNCc1ccc(N2C[C@H](C)[C@@H](N(C)C)C2)c(Cl)c1 226090073 KZUOZHKXGIEBHN-GUYCJALGSA-N 309.885 3.226 10 10 DGCE O=C(/C=C\c1ccc(N2CCOCC2)cc1)OC1CCCC1 255549545 FQUFZVLBMHVSER-YFHOEESVSA-N 301.386 3.022 10 10 DGCE C[C@@H](CNCc1cc(F)ccc1O)COCc1ccccc1 389952140 XQKFNEXSVXJITG-AWEZNQCLSA-N 303.377 3.474 10 10 DGCE CCOc1ccc([C@@H]2CN(Cc3ccc(N)cc3)C(=O)O2)cc1 585890505 MDMLOUDICKJNRJ-KRWDZBQOSA-N 312.369 3.361 10 10 DGCE CC1(C)CN(C(=O)/C=C/c2cnccn2)c2cccc(Cl)c21 746817964 UFBYRGCSXDFRGU-VOTSOKGWSA-N 313.788 3.468 10 10 DGCE OC[C@H](NCc1cc(Cl)c(F)cc1O)c1ccsc1 816571322 ZPUHTFRSADZHIR-LBPRGKRZSA-N 301.770 3.069 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1C[C@H]1C(F)(F)F 826137047 LTJQHZNHHXNCCN-DGCLKSJQSA-N 313.319 3.086 10 10 DGCE Cc1ccc(O)c(CN2C[C@H](CC(F)(F)F)O[C@H](C)C2)c1 827789909 YGIPTIKLOVYKJF-YPMHNXCESA-N 303.324 3.242 10 10 DGCE CN(C)c1ccc(/C=C\CNC[C@H](O)c2ccccc2F)cc1 835036973 SPHLMOHAKBJCHV-VOFKWLDRSA-N 314.404 3.228 10 10 DGCE CN(C)c1ccc(/C=C/CNCc2csc(N(C)C)n2)cc1 835043607 SYPRTVXOTYVXRC-AATRIKPKSA-N 316.474 3.078 10 10 DGCE C[C@H](N)c1ccc(CNCc2ccc(N(C)C)c(F)c2)cc1 841028402 DCOCLZSJOAZHMP-ZDUSSCGKSA-N 301.409 3.201 10 10 DGCE Oc1c(F)cc(Cl)cc1CN1CCCC[C@@H]1[C@H]1CCNC1 841087481 OGGTZBSZPCRDKU-XHDPSFHLSA-N 312.816 3.149 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)Cc1cn(C)nc1Cl 857011764 IXPKUHVDHDAVHP-UHFFFAOYSA-N 306.841 3.162 10 10 DGCE C[C@@H]1NCC[C@H]1N[C@H](C)c1ccc(N2CCCCCC2)cc1 863547262 RBEAXJRGHPDLOS-JTDSTZFVSA-N 301.478 3.468 10 10 DGCE C[C@H](NC[C@H]1c2ccccc2CN1C)c1cc(F)ccc1O 866563051 JGJCBJSPIVCLTA-SJCJKPOMSA-N 300.377 3.369 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)[C@H]1CC[C@@H]2CCCCN21 901053842 SOZJXUBMOCUUMN-DLBZAZTESA-N 316.445 3.148 10 10 DGCE C[C@H](NC[C@]1(c2ccccc2)C[C@H](O)C1)c1ccc(F)cc1O 903269611 BXJLVHYBDITDCV-AXHNFQJDSA-N 315.388 3.275 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@H]3C[C@H]2[C@@H]2C[C@H]32)cc1 1125235824 VEBPYVACHRREJC-IQZDNPOKSA-N 312.457 3.441 10 10 DGCE CCC(C)(C)NC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C 1251981658 OTBZFYRBNQELNN-AWEZNQCLSA-N 305.466 3.480 10 10 DGCE CCN(CC)c1ccc(CNC(=O)C2(CF)CCC2)cc1F 1261498926 VOZSFNHLLNDNFD-UHFFFAOYSA-N 310.388 3.428 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)c1cc(F)c(F)c(F)c1 1300398250 CYDXKYXVZCGIKT-UHFFFAOYSA-N 315.678 3.393 10 10 DGCE O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCC[C@H](F)C1 1348957286 FOSMVSZZTACFLD-HOTGVXAUSA-N 304.409 3.431 10 10 DGCE O=C(NCc1c(O)cccc1O)c1cc(-c2ccccc2)ccn1 1456323450 RWCQTWVMDZONSM-UHFFFAOYSA-N 320.348 3.090 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cc(O)cs1 1623549781 KRJXEKOALXPXDT-UHFFFAOYSA-N 316.426 3.326 10 10 DGCE O=C(NCc1c(O)cccc1O)c1cc(C(F)F)ccc1F 1635850450 MVMVNGHSUWXMHG-UHFFFAOYSA-N 311.259 3.105 10 10 DGCE CN(C[C@H]1CCCC12CCOCC2)c1ccc2c(c1)OCO2 1644960458 OEVIJUUXNLLHKC-CQSZACIVSA-N 303.402 3.448 10 10 DGCE CN(Cc1ccccc1O)C(=O)NCc1cscc1Cl 1685312158 OPQKMSYTVZTJLY-UHFFFAOYSA-N 310.806 3.449 10 10 DGCE CC(C)(C)OC(=O)NCC1(C[C@H](N)c2ccccc2O)CCC1 1936985675 YFZMAUJBHPHHLV-AWEZNQCLSA-N 320.433 3.477 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H](N)C[C@@H]1c1cc(Cl)ccc1O 1952460257 UTOHGQHCBJUQDX-CMPLNLGQSA-N 312.797 3.055 10 10 DGCE CC(C)c1cc(CNCc2cccc(Br)c2O)[nH]n1 1971363597 PSTMNLXPTMECCI-UHFFFAOYSA-N 324.222 3.291 10 10 DGCE Cc1cccc(N)c1N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1F 1977665801 DJOMEXFRUAHSTG-JSGCOSHPSA-N 323.412 3.337 10 10 DGCE CN(Cc1ccccc1)[C@H]1CCCN(c2ccc(CN)cc2)C1 1980498233 RUWFEAYXUSKUFM-FQEVSTJZSA-N 309.457 3.246 10 10 DGCE Cc1cccc(CNC(=O)CCCOCc2ccccc2)c1O 1994451608 NPJDCWQKXMSXBK-UHFFFAOYSA-N 313.397 3.314 10 10 DGCE CN(C)c1ccc([C@@H](N)c2nc(Br)cs2)cc1 1999536913 QJUCCVOPWXTSEG-LLVKDONJSA-N 312.236 3.020 10 10 DGCE CN(c1ccc(CN)cc1Br)[C@H]1CCC[C@@H]1F 2006795301 RKFOQEDMWAPVEV-AAEUAGOBSA-N 301.203 3.235 10 10 DGCE CN(C[C@@H]1C[C@H]1C(F)F)c1ccc(CO)cc1Br 2041776263 RRSQDGNTFRUXHJ-VHSXEESVSA-N 320.177 3.279 10 10 DGCE CC[C@H](COC)N(C)Cc1cc(Br)cc(F)c1O 2047296552 FIYOSOJORPRSKZ-LLVKDONJSA-N 320.202 3.151 10 10 DGCE NCc1cc(F)c(N2C[C@H]3CC=CC[C@H]32)cc1Br 2057021892 JEEPQPIIZBNECK-NOZJJQNGSA-N 311.198 3.202 10 10 DGCE CCc1ncncc1NCc1ccc(Br)cc1O 2058446298 PFACHDKAMMIUFD-UHFFFAOYSA-N 308.179 3.119 10 10 DGCE Nc1cccc(Br)c1N[C@H](CO)[C@H]1CC=CCC1 2075333642 GGFVDNYZUUICRW-GXFFZTMASA-N 311.223 3.160 10 10 DGCE Cc1cccc(O)c1Cn1nc(C2CC2)c(N)c1C(F)(F)F 2079131114 OFPMDZVKTLSIQS-UHFFFAOYSA-N 311.307 3.424 10 10 DGCE C[C@H](N)c1ccc(N(C)CCn2cccc2)cc1Br 2115197047 JBVQMIKPNXFEEZ-LBPRGKRZSA-N 322.250 3.407 10 10 DGCE COC(=O)c1cnc(SCCCOCC2CCC2)s1 2128296026 FATYFHZYVCTGLY-UHFFFAOYSA-N 301.433 3.229 10 10 DGCE CC(C)N(C[C@@H]1CCOC1)c1cc(Cl)c(CN)cc1F 2177379615 ZZLXOCKROULVSA-NSHDSACASA-N 300.805 3.189 10 10 DGCE CNCc1ccc(N2CC[C@H]3C[C@@]3(F)C2)c(Br)c1 2222695163 WALSSZDQBJPWGV-SMDDNHRTSA-N 313.214 3.107 10 10 DGCE CNc1cc(NCc2cnc(SC)s2)ccc1[N+](=O)[O-] 2284716496 ZLQHPHNAPQKBNB-UHFFFAOYSA-N 310.404 3.427 10 10 DGCE Cc1cc(O)c([C@H](C)N2CCO[C@H](CCF)C2)cc1Cl 2286444396 OHMJKIXKCGYIIS-NWDGAFQWSA-N 301.789 3.475 10 10 DGCE C[C@@H](C(=O)O)N(Cc1ccccc1)Cc1ccc2c(c1)CCN2C 2302866543 YPOZRUIHDDMIIW-HNNXBMFYSA-N 324.424 3.154 10 10 DGCE Cc1ccc(CN2C(=O)C[C@@H](C)[C@H]2C)c(O)c1Br 2327802159 XQJJAIIIZLTXPA-NXEZZACHSA-N 312.207 3.220 10 10 DGCE CCN[C@@H](C)c1ccc(N2CCOC[C@@H](F)C2)cc1Cl 2361817140 ZNLWSKRGMPUBCY-RYUDHWBXSA-N 300.805 3.185 10 10 DGCE C[C@H](CC[S@@](=O)CCCOc1ccc(N)cc1)C(F)F 2364121257 DZMVPPBETFLSKJ-GIPWTMENSA-N 305.390 3.078 10 10 DGCE Cc1ccc(N2C(=O)[C@@H](CN3CCCCC3)SC2=S)cc1 5751516 DHPSNKOCTJXHOT-CQSZACIVSA-N 320.483 3.214 10 10 DGCE Nc1ccc(OCCNC(=O)Nc2ccccc2Cl)cc1 38079644 BCJKIHPSMWTECT-UHFFFAOYSA-N 305.765 3.123 10 10 DGCE CCc1ccc(S(=O)(=O)N(CC)Cc2ccc(N)cc2)s1 49044315 USTHFIRRFNWLKG-UHFFFAOYSA-N 324.471 3.104 10 10 DGCE C[C@H]1SCCN(c2ccc(CN)cc2C(F)(F)F)[C@@H]1C 133328333 BCMNMXIXMXSWGF-NXEZZACHSA-N 304.381 3.494 10 10 DGCE Cc1c(NC(=O)N(C)Cc2ccccc2O)cccc1N(C)C 180148386 OUSHVWSBNZDZLI-UHFFFAOYSA-N 313.401 3.431 10 10 DGCE COc1ccc(N[C@H](C)c2ccc(N3CCOCC3)cc2)cn1 183195935 DOVAXOYPZBOMPL-CQSZACIVSA-N 313.401 3.100 10 10 DGCE C[C@H](N[C@H]1C[C@H]2CC[C@H]1O2)c1cc(Br)ccc1O 248495101 KTJMBRDWEDEEGR-LGYCOIBBSA-N 312.207 3.125 10 10 DGCE COCc1cccc(/C=C2/SC(N3CCCCC3)=NC2=O)c1 255376525 WAQFOCDXEPVALB-RVDMUPIBSA-N 316.426 3.289 10 10 DGCE CC1(C)[C@@H]2CN(c3ccc(CN)c(Br)c3F)C[C@H]21 379542954 SVLPVHNOLGFJCP-NXEZZACHSA-N 313.214 3.139 10 10 DGCE CN(Cc1nccs1)c1ccc(CN)cc1Br 387253881 MJYIHEVRRUJLIG-UHFFFAOYSA-N 312.236 3.001 10 10 DGCE Cn1cc(-c2c[nH]cc2C(=O)N2CC3(CC3)c3ccccc32)cn1 427456125 FVOMYFQGPGXRBH-UHFFFAOYSA-N 318.380 3.107 10 10 DGCE CC(C)N(C[C@H](C)O)c1ccc([C@@H](C)N)c(Br)c1 691372898 AORMGVCFBYFATR-WDEREUQCSA-N 315.255 3.064 10 10 DGCE CC(C)(C)[C@@H](CCO)NCc1ccc(Br)cc1O 691488057 KPHBIZPEBJJARY-CYBMUJFWSA-N 316.239 3.041 10 10 DGCE C[C@@H](CN(C)C(=O)OC(C)(C)C)N[C@H](C)c1cc(O)ccc1O 701924917 QNLLFIMNMPFQHP-NWDGAFQWSA-N 324.421 3.004 10 10 DGCE OCc1ccc(N(CC(F)F)CC(F)(F)F)cc1Cl 720083949 MBAAPRHFQVOOAB-UHFFFAOYSA-N 303.658 3.466 10 10 DGCE Oc1cc2c(cc1CN1CCC[C@@]3(CC=CCC3)C1)OCO2 733991978 KGODXJWXKDDSBA-SFHVURJKSA-N 301.386 3.443 10 10 DGCE CC[C@@H](C)CNCc1ccc(N2CCN(CC3CC3)CC2)cc1 771868384 MTKPBDZLNIESGP-QGZVFWFLSA-N 315.505 3.354 10 10 DGCE CCc1onc(C)c1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 775403108 GLUVBVKDEXHEIK-LLVKDONJSA-N 301.390 3.102 10 10 DGCE COc1ccc(O)c(CNCc2nc(C(C)(C)C)cs2)c1 776174199 CNTDKGVKSFXPKQ-UHFFFAOYSA-N 306.431 3.445 10 10 DGCE CCc1cc(C(=O)NCc2ccc(OC)cc2O)oc1CC 794373883 ODFLWTVTLOFNPK-UHFFFAOYSA-N 303.358 3.049 10 10 DGCE COc1cc(CN2CCC=C(Br)C2)c(O)cc1C 799573919 JNOQIWNBBARMNG-UHFFFAOYSA-N 312.207 3.194 10 10 DGCE Oc1ccc(Br)cc1CNCc1cnc(C2CC2)o1 825172484 UWEMTHFSDGQVJP-UHFFFAOYSA-N 323.190 3.310 10 10 DGCE C[C@H](N[C@H]1CCc2cccc(O)c21)c1cn(-c2ccccc2)nn1 834680730 HMVGJVAPWBYSMZ-BBRMVZONSA-N 320.396 3.311 10 10 DGCE Cc1cc(C)c(O)c(CN2CCO[C@@H](C(F)(F)F)[C@H]2C)c1 853572616 RFGGRLWGQNHPSA-BXUZGUMPSA-N 303.324 3.161 10 10 DGCE CCN(C(=O)c1cc(O)cs1)[C@H](C)[C@@H](O)c1ccccc1 854564439 YMTGQOUMTHNNAO-IAQYHMDHSA-N 305.399 3.038 10 10 DGCE CC[C@@H](NC[C@@]1(OC(C)C)CCOC1)c1ccc(N(C)C)cc1 903360694 LSTJHHQMOOCCPA-MOPGFXCFSA-N 320.477 3.377 10 10 DGCE O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@]12CCC[C@@H]1C2 914180640 SYVYEJGNSAYAOR-APWZRJJASA-N 313.445 3.276 10 10 DGCE C[C@H](NCc1cc(C(F)(F)F)nn1C)c1c(O)cccc1F 926928392 ZKXLYAQESHJFCK-QMMMGPOBSA-N 317.286 3.134 10 10 DGCE CCCc1cc(NC(=O)NCc2cccc(Cl)c2O)n(C)n1 930682677 VFSGZBWVCHRDGU-UHFFFAOYSA-N 322.796 3.053 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1C[C@H]1c1ccsc1 935945245 QERGLUYJRRYYCL-QWHCGFSZSA-N 322.426 3.359 10 10 DGCE O=C(NCc1c(O)cccc1F)N[C@@H]1C[C@H]1c1cccc(F)c1 1245988102 NWQRQMZRXCLPKL-SWLSCSKDSA-N 318.323 3.026 10 10 DGCE NCCN(CCc1ccccc1)Cc1ccc(N2CCCC2)cc1 1332358318 HEHVOVUBBSFJRY-UHFFFAOYSA-N 323.484 3.290 10 10 DGCE CCN(CC)c1ccc(CNC(=O)C2(OC(C)C)CCC2)cc1 1357723994 CUFLDTAZSQJHJZ-UHFFFAOYSA-N 318.461 3.497 10 10 DGCE Cc1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2O)cc1Cl 1445967059 ANTIUIDCVOTANY-UHFFFAOYSA-N 320.732 3.192 10 10 DGCE COc1cccc(CNC(=O)c2cc3c(C)cccc3o2)c1O 1465991696 DRUWZBLYZMZXBO-UHFFFAOYSA-N 311.337 3.385 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1CC12CCC2 1478841408 VTAKBDXIJMWPFX-YOEHRIQHSA-N 315.461 3.234 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2CC[C@@H](C)O2)cc1 1527731995 GWYPOGKVGZETSS-QAPCUYQASA-N 312.413 3.391 10 10 DGCE O=C(NCc1cccc(Cl)c1O)c1cc([N+](=O)[O-])ccc1F 1640404439 AACVBALPVHPIAW-UHFFFAOYSA-N 324.695 3.023 10 10 DGCE COc1ccc(N(C)CCN(C)Cc2c(C)nsc2C)cc1 1654947708 PARVFXUFXQGOBS-UHFFFAOYSA-N 319.474 3.337 10 10 DGCE CCN1N=C(C)/C(=C\c2ccc(OC(C)C)c(OC)c2)C1=O 1865672003 KNNCSBNSOOTTDX-NTEUORMPSA-N 302.374 3.104 10 10 DGCE CN(Cc1ccccc1O)c1cccc(Br)c1CO 1877523588 MUCYLDGAIJKCPA-UHFFFAOYSA-N 322.202 3.283 10 10 DGCE CCCn1cc(Br)cc1C(=O)N(C)CCN=[N+]=[N-] 1912200056 AXNOJRKACUTHHH-UHFFFAOYSA-N 314.187 3.043 10 10 DGCE CNCc1ccc(N2CC(N(C)Cc3ccccc3)C2)c(C)c1 1914221603 SJJQXAPGKFHKDC-UHFFFAOYSA-N 309.457 3.035 10 10 DGCE CN[C@H](c1ccccc1O)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 1936986757 LPCXOFUEHZIWKH-IOASZLSFSA-N 320.433 3.346 10 10 DGCE CN(c1ccc(CN)cc1F)[C@@H]1CC[C@H]1OCc1ccccc1 1939611091 LJJHKYZQHNVYON-RTBURBONSA-N 314.404 3.468 10 10 DGCE C[C@@H](NCc1ccc(Br)cc1O)[C@H]1CCSC1 1942256153 LHWYXDLNGWGGIH-KOLCDFICSA-N 316.264 3.386 10 10 DGCE CN(C(=O)Cc1ccc(N)cc1)[C@H]1CC[C@@H]1OCc1ccccc1 1950435959 GFFNLUDANLHFSE-OALUTQOASA-N 324.424 3.018 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H](N)[C@H]1c1cc(Cl)ccc1O 1952306382 LJOGUVHXUIEOEU-DGCLKSJQSA-N 312.797 3.055 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H](F)C[C@H]1c1cccc(N)c1O 1953066173 JCXNIUIVRKHDCF-MFKMUULPSA-N 310.369 3.385 10 10 DGCE CC(C)(C)OC(=O)NCC[C@H]1CCN(c2ccc(N)cc2)C1 1959527566 LTIPWYGSHZGNNE-ZDUSSCGKSA-N 305.422 3.010 10 10 DGCE CN(C)c1ccc([C@](C)(O)CCCNC(=O)OC(C)(C)C)cc1 1977957739 IEDIWSFIZFUIFM-GOSISDBHSA-N 322.449 3.265 10 10 DGCE CN[C@H](c1ccccc1O)[C@H]1CC[C@H](C)N1C(=O)OC(C)(C)C 1982934336 MKUHBUJSXXVRSR-JGGQBBKZSA-N 320.433 3.441 10 10 DGCE C[C@@H]1C[C@@H](NCc2ccc(N)cc2)CN(Cc2ccccc2)C1 1986355131 FMJQITVAAPNACY-OXQOHEQNSA-N 309.457 3.269 10 10 DGCE CN(C)c1ccc([C@@](C)(O)C(C)(C)NC(=O)OC(C)(C)C)cc1 1991753885 JOYQVNCWISLTQD-GOSISDBHSA-N 322.449 3.263 10 10 DGCE CN1CCc2cc([C@H](N)c3cc(Br)co3)ccc21 2049659887 NZXQNECJMLAZNY-AWEZNQCLSA-N 307.191 3.083 10 10 DGCE CNCc1ccc(N2C[C@@H]3CC=CC[C@@H]32)cc1Br 2057023743 YJIVEWSBOWLAEL-WFASDCNBSA-N 307.235 3.323 10 10 DGCE CC(C)Cc1cc(CN(C)C)n(Cc2c(O)cccc2F)n1 2070202133 XOHCEGKFLBXUIC-UHFFFAOYSA-N 305.397 3.036 10 10 DGCE CCN(CC)c1ccc([C@H](N)c2n[nH]cc2Br)cc1 2134205283 XYXJLEIHFDFNSU-ZDUSSCGKSA-N 323.238 3.067 10 10 DGCE NCc1ccc(N2CCCC[C@@H]2C2OCCO2)c2ccccc12 2145802638 HUXKULMCAAOHDI-GOSISDBHSA-N 312.413 3.030 10 10 DGCE CCN[C@H](C)c1ccc(N2C[C@@H](F)[C@H](OC)C2)c(Cl)c1 2146470584 WEUJKRHMBGRMKT-WDBKCZKBSA-N 300.805 3.184 10 10 DGCE CO[C@@H]1CC(F)(F)CC[C@@H]1NCc1ccc(Cl)cc1O 2162096643 ZLKSSYWDSXXQIZ-WCQYABFASA-N 305.752 3.338 10 10 DGCE COC[C@H]1CC[C@H](N(C)c2cc(Cl)c(CN)cc2F)C1 2177383612 OSNGIFAXOJRFSL-JQWIXIFHSA-N 300.805 3.189 10 10 DGCE CN(C)c1ccc(CN[C@H]2CS[C@@H](C(F)(F)F)C2)cc1 2189245082 JXVLOMQPDWBARS-DGCLKSJQSA-N 304.381 3.279 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@H]1NC(=O)c1cscc1Br 2213588350 QIMPCADGEUETSV-BDAKNGLRSA-N 315.196 3.472 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NC(=O)c1cccc(Br)c1 2218746687 XYXVHVZWRKDOKC-WDEREUQCSA-N 309.167 3.410 10 10 DGCE Cc1ccc(CN2CCSC[C@@H]2C)c(O)c1Br 2307566244 UQKAWALOFNOGDH-JTQLQIEISA-N 316.264 3.400 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 2307990527 VPJXWCYSMQCEDD-DGXTUMSLSA-N 313.397 3.052 10 10 DGCE O=C1NC(=S)SC1=Cc1ccc(SC(F)F)cc1 2308148196 YUVDDGIZXURKAY-UHFFFAOYSA-N 303.380 3.490 10 10 DGCE Cc1cc(Br)c(CN(C)c2ccc(N)cc2)cn1 2315996514 VKOSXXDLPMJNQZ-UHFFFAOYSA-N 306.207 3.371 10 10 DGCE CC(C)CN1N=C(c2ccccc2)C(=Cc2ccncc2)C1=O 2332129590 RXHHGUXTKAPZLM-UHFFFAOYSA-N 305.381 3.368 10 10 DGCE Oc1c(Cl)cccc1CNCc1coc(C(F)(F)F)n1 2367993917 RLLOTSWXWJBBIG-UHFFFAOYSA-N 306.671 3.342 10 10 DGCE O=C1N=C(O)/C(=C/c2ccc(F)cc2)C(=O)N1Cc1ccccc1 33304713 RBKBUIPTTXFLBP-GDNBJRDFSA-N 324.311 3.328 10 10 DGCE COc1ccc(CNc2cc3c(cc2Cl)OCO3)c(O)c1 40906283 JEZYHSKNTIICRZ-UHFFFAOYSA-N 307.733 3.395 10 10 DGCE Cc1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)c(C)n1-c1ccccc1 68851467 HJIXJTSSQQVOAB-GJZGRUSLSA-N 312.413 3.344 10 10 DGCE CCNCc1cc(F)c(N2CCS[C@H](C)[C@H]2C)c(F)c1 253083468 XXVRVLHBOGFSEU-GHMZBOCLSA-N 300.418 3.405 10 10 DGCE Cc1ccc(O)c(CNCCc2cccc(C(F)(F)F)n2)c1 293056645 UMOCIVKYNOHBDW-UHFFFAOYSA-N 310.319 3.447 10 10 DGCE C[C@@H](NCc1cc(Br)ccc1O)[C@H]1CCCCO1 379179827 ORCBFHPGFAWNDQ-QMTHXVAHSA-N 314.223 3.202 10 10 DGCE CCN[C@@H](C)c1ccc(N2CC(OC(F)F)C2)cc1Cl 398905689 SUBIOHVGYQCSHN-VIFPVBQESA-N 304.768 3.438 10 10 DGCE O=C(NCc1cc(Br)ccc1O)[C@@H]1CCCC12CC2 529385699 GBCGFDLQWGZHNX-LBPRGKRZSA-N 324.218 3.351 10 10 DGCE O=C(/C=C\c1cncc(O)c1)N1CCc2c(Cl)cccc21 588409543 RVZMFJMHQUWCDP-PLNGDYQASA-N 300.745 3.043 10 10 DGCE CO[C@H](C)CN(Cc1cc(Br)ccc1O)C(C)C 688093897 FPUVZTSYXTUWAH-LLVKDONJSA-N 316.239 3.400 10 10 DGCE Cn1ncc(NCc2cc(Br)ccc2O)c1Cl 694119094 ZCEMVFJMTDJSJM-UHFFFAOYSA-N 316.586 3.154 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)c2ccsc2Br)C1 699133841 DJKKPTBYRGDSMA-ZETCQYMHSA-N 315.196 3.426 10 10 DGCE Nc1ccc(Nc2ccc(I)cn2)cc1 703908020 AVRQWHRUZSTWHW-UHFFFAOYSA-N 311.126 3.012 10 10 DGCE CCN(Cc1c(O)cccc1Br)[C@H](C)COC 707165504 FJLFBGDTWAAAOJ-SNVBAGLBSA-N 302.212 3.012 10 10 DGCE C[C@H](NC[C@@H]1CCN1Cc1ccccc1)c1cc(O)ccc1O 716299013 OORDZOFVBTYYQJ-HOCLYGCPSA-N 312.413 3.023 10 10 DGCE CC(C)(C)OC(=O)N1CC2(CCOCC2)CC[C@H]1CN=[N+]=[N-] 718567768 RYWQGEKIBYURRQ-LBPRGKRZSA-N 310.398 3.493 10 10 DGCE COc1ccccc1NC(=S)NCc1ccc(Cl)cn1 776196807 YNDWBWDEIHICCQ-UHFFFAOYSA-N 307.806 3.230 10 10 DGCE Cc1ccc2c(c1)[C@@H](NC(=O)NCc1ccccc1O)[C@H](C)C2 780828473 QFKQGOXNKKXYSH-ACJLOTCBSA-N 310.397 3.433 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@H]1CCC(F)(F)C1 797901220 DIAUHUOLSUUJEI-GFCCVEGCSA-N 324.371 3.304 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)[C@H]1CCC(C)(C)O1 801548715 NHEYUBBXCSYCEH-MRXNPFEDSA-N 305.418 3.479 10 10 DGCE Oc1c(CNC[C@]23OCCC[C@H]2C3(F)F)ccc2ccccc12 827250828 AWEOXKBHTULTHO-WBVHZDCISA-N 319.351 3.449 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCC[C@H](n3ccnc3)C2)cc1 835028780 SHFPVUGEKRYWMS-JUGMSXHOSA-N 310.445 3.299 10 10 DGCE CN(C)c1ccc(/C=C\CNCc2ncccc2N(C)C)cc1 835055727 NURJZBLTCHRFEF-ALCCZGGFSA-N 310.445 3.017 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@H](CN)C2CCCCC2)cc1 841039400 NLVOZRPHMKQYNE-OVKVCFKUSA-N 301.478 3.263 10 10 DGCE CC(C)[C@H]1N(C(=O)/C=C/c2ccc(O)c(O)c2)CC12CC=CC2 844094863 DHWPXMLTSHTROC-JHTBKMLMSA-N 313.397 3.314 10 10 DGCE CC[C@@H](NCC12CC(CN1)C2)c1ccc(C(F)(F)F)cc1O 854226257 GMGBSEVKXQXUCL-VROQLPPWSA-N 314.351 3.204 10 10 DGCE C[C@H](NCC[C@H](O)C(F)F)c1ccc(N2CCCCC2)cc1 866442045 CKJYZHRMMZAETC-BBRMVZONSA-N 312.404 3.344 10 10 DGCE CC1(C)CNCC[C@H](NCc2ccc(N3CCCC3)cc2)C1 872251241 ISEKJOOIPHQTIF-KRWDZBQOSA-N 301.478 3.155 10 10 DGCE COc1ccc(CN[C@H]2C[C@@H]2C2CCCCC2)c(O)c1OC 893354974 AEYQQOQOQKWQIL-CABCVRRESA-N 305.418 3.468 10 10 DGCE C[C@@H]1C[C@H](NCc2cc(F)c(N(C)C)cc2F)CCS1 922839328 SHJHOWQNYXDHKU-ZYHUDNBSSA-N 300.418 3.405 10 10 DGCE CN(C)c1ccc(CN[C@@H]2CCNC[C@@H]2C2CCCC2)cc1 925512036 YQVYUAMUFUTSMA-RTBURBONSA-N 301.478 3.011 10 10 DGCE CC1CCN(c2ccc(CN[C@H](C)[C@H]3[C@H]4CN[C@H]3C4)cc2)CC1 925556941 NBCRDFADNFROMK-BEKAIBRUSA-N 313.489 3.009 10 10 DGCE Oc1cccc2c1[C@H](NC[C@H]1CCC[C@H](C(F)(F)F)O1)CC2 926914756 JAZJYSNJDPWIOL-YRGRVCCFSA-N 315.335 3.469 10 10 DGCE COc1ccc(Cl)cc1C(=O)NCc1c(O)cccc1F 1156164104 MUVSEUQGVAJLNG-UHFFFAOYSA-N 309.724 3.123 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)c1c(O)cccc1Cl 1165508120 LIMFJMUNYYZDQY-UHFFFAOYSA-N 312.152 3.335 10 10 DGCE C[C@@H](NCc1nnc(-c2cccc(F)c2)o1)c1ccccc1O 1308009927 HMWJJWMUNRPNKA-LLVKDONJSA-N 313.332 3.432 10 10 DGCE O=C(NCc1cccc(Cl)c1O)N[C@H]1C[C@@H]1c1ccccc1 1312615302 HRELDZYNYVIQPH-HIFRSBDPSA-N 316.788 3.401 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F 1347500261 XDYMONYUOYYEIO-UHOFOFEASA-N 322.399 3.359 10 10 DGCE COc1c[nH]nc1NC(=O)c1ccc(-n2c(C)ccc2C)cc1 1469684914 UUXPRQDBQAIBMJ-UHFFFAOYSA-N 310.357 3.078 10 10 DGCE CCOC(=O)/C=C\c1ccc(NC(=O)c2cc(O)cs2)cc1 1471397691 ANHWENRIYIQQDF-YVMONPNESA-N 317.366 3.282 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CC[C@H]2C[C@H]2CC1 1523542745 VPYILMXFOPJKTP-QKDCVEJESA-N 314.429 3.304 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H]2CC[C@@H](C)O2)cc1 1527731993 GWYPOGKVGZETSS-CRAIPNDOSA-N 312.413 3.391 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H]1C[C@H]1C1CC1 1556392927 NOKBMRLUBJSBAA-ZWKOTPCHSA-N 322.408 3.435 10 10 DGCE Cc1ccccc1-n1c(C)cc(C(=O)N2N[C@H]3CC[C@H]2C3)c1C 1584722200 LTICIIAZBYKMKB-HOTGVXAUSA-N 309.413 3.284 10 10 DGCE CSCCc1ccccc1NC(=O)Cc1ccc(O)c(O)c1 1631655048 BGQDVHPNMQUDJV-UHFFFAOYSA-N 317.410 3.185 10 10 DGCE COc1nc(C)ccc1C(=O)NCc1c(O)ccc2ccccc12 1647791059 IFSFNRWQMWRDKN-UHFFFAOYSA-N 322.364 3.187 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2C[C@@H]1CCC2(CCC2)CO1 1654011192 KGCLIUBCOAKIDU-INIZCTEOSA-N 316.445 3.301 10 10 DGCE O=C(N[C@@H]1CCCc2c(F)cccc21)c1c(F)ccc(O)c1O 1654618642 HOCIGWHZZJGWQS-CYBMUJFWSA-N 319.307 3.183 10 10 DGCE CCc1cccc(C)c1/N=N/N1CCN(c2ncccn2)CC1 1860484740 BOSNMANBDIRBGH-QZQOTICOSA-N 310.405 3.168 10 10 DGCE COC(=O)CCN(C(=O)/C=C(\C)c1cccnc1)c1ccccc1 1866372100 LPMSORMPDAUWCU-FYWRMAATSA-N 324.380 3.081 10 10 DGCE CN(CC1=CCSC1)c1ccc(CN)cc1C(F)(F)F 1916814367 BYODFLGHHSDANC-UHFFFAOYSA-N 302.365 3.274 10 10 DGCE Cc1cccc([C@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)O)c1O 1951864303 VEYWIUJXCGMEJT-ZDUSSCGKSA-N 323.389 3.377 10 10 DGCE COc1ccc(O)c([C@@H]2CC(=O)CCN2C(=O)OC(C)(C)C)c1 1952058932 HIFVXYKICKZGEP-AWEZNQCLSA-N 321.373 3.042 10 10 DGCE CC(C)(C)OC(=O)N1CCCCC(=O)[C@H]1Cc1ccc(N)cc1 1952916863 SNLRAMWVOJSDMC-OAHLLOKOSA-N 318.417 3.170 10 10 DGCE CN[C@@H](c1ccc(N(C)C)cc1)[C@H]1CCN1C(=O)OC(C)(C)C 1977946143 UAQDYAVONSLXLS-CVEARBPZSA-N 319.449 3.023 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@]2(CCN(CCCCN=[N+]=[N-])C2)C1 1982246642 XUEVHLGKTGZVPB-INIZCTEOSA-N 323.441 3.410 10 10 DGCE CN[C@H](C)c1ccc(N2CC(CF)C2)cc1Br 1996948427 RMVQZXYKJALSAX-SECBINFHSA-N 301.203 3.135 10 10 DGCE Cc1cc(N2C[C@H]3C[C@H]2CN(Cc2ccccc2)C3)ccc1CO 1997910762 XJUMUUMDUCXOKT-RXVVDRJESA-N 322.452 3.198 10 10 DGCE CSCC1CN(c2ccc([C@@H](C)O)cc2Br)C1 1998204097 OOOFJKFEFHKZGI-SECBINFHSA-N 316.264 3.302 10 10 DGCE N[C@H](c1ccccc1O)c1ccc(F)c(F)c1Br 2029557670 FHGZBBPPLUJCMB-CYBMUJFWSA-N 314.129 3.481 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)c2coc(Br)c2)CC1 2038000052 LUWHPPIJQBSDAZ-VIFPVBQESA-N 313.155 3.347 10 10 DGCE CC[C@]12C[C@H]1CN(c1ccc(CNC)cc1Br)C2 2048615004 VTBGQMKQDQXGMM-SWLSCSKDSA-N 309.251 3.405 10 10 DGCE CO[C@H](C)CCN(C)Cc1cc(Br)cc(C)c1O 2059355633 FEBGPBGFWPCAOU-LLVKDONJSA-N 316.239 3.320 10 10 DGCE Nc1cccc(Br)c1NC1CCC2(CC1)C[C@@H]2N 2071618345 RNNMHUQDQIFCBS-PEUVISTOSA-N 310.239 3.103 10 10 DGCE CC[C@@H](c1ccc(OC)cc1O)n1nc(C)c(CN)c1Cl 2079955920 GYJPSYZVBLVRDQ-ZDUSSCGKSA-N 309.797 3.017 10 10 DGCE C[C@@H]1CCNC[C@H]1N(C)Cc1cc(Cl)cc(Cl)c1O 2107359007 KSBBUISUGXIDJX-NOZJJQNGSA-N 303.233 3.129 10 10 DGCE Cc1ccnc(C)c1CNCc1c(O)cccc1Br 2129796467 HJXBKKWPMIXPPF-UHFFFAOYSA-N 321.218 3.456 10 10 DGCE CN(C[C@@H]1CC(C)(C)CO1)c1cc(Cl)c(CN)cc1F 2177384813 DKXPIIYNQQPMOX-NSHDSACASA-N 300.805 3.189 10 10 DGCE COCCNCc1ccc(N(C)[C@H](C)C(F)F)cc1Cl 2178791297 NENAMRFLWDBYNJ-SNVBAGLBSA-N 306.784 3.166 10 10 DGCE CCc1nn(C)c(CNCc2ccc(Cl)cc2O)c1Cl 2240977006 VIKVEDWDZUQYIK-UHFFFAOYSA-N 314.216 3.285 10 10 DGCE Cc1ccc([C@H](C)Nc2cscc2S(C)(=O)=O)c(O)c1 2288487627 YSFAZRQLGAMJRH-JTQLQIEISA-N 311.428 3.339 10 10 DGCE Cc1ncccc1C=C1SC(=S)N(c2cccnc2)C1=O 2297485009 IGTBEQHQLBWUHC-UHFFFAOYSA-N 313.407 3.191 10 10 DGCE CC(=O)[C@H]1CCCN1Cc1ccc(C)c(Br)c1O 2327790872 XPGBMDDTSLVMPV-GFCCVEGCSA-N 312.207 3.017 10 10 DGCE CCCC1=NN(CCC)C(=O)C1=Cc1ccc(OC)c(OC)c1 2332140333 WRWNVGKDDHDKBG-UHFFFAOYSA-N 316.401 3.496 10 10 DGCE Cc1ccc(CNC(=O)C2[C@H]3CCC[C@H]23)c(O)c1Br 2352932070 HOYLRAQMDIFODT-QWRGUYRKSA-N 324.218 3.125 10 10 DGCE Cc1ccc(CNC(=O)[C@@H]2CC[C@H]3C[C@@H]32)c(O)c1Br 2352946043 FHGRMGAJMBEEEU-WCQGTBRESA-N 324.218 3.125 10 10 DGCE CO[C@]1(C(F)F)C[C@H](CNCc2cc(Cl)ccc2O)C1 2369075066 FDCGBXGCAUHQJS-DEZZCRIOSA-N 305.752 3.196 10 10 DGCE Nc1ccc(CCC(=O)N[C@H]2CCCc3sccc32)cc1 61330448 WGLMJIJPRSPEQY-HNNXBMFYSA-N 300.427 3.457 10 10 DGCE C[C@H](N)c1ccc(N(C)C2CCOCC2)c(Br)c1 61695750 WAGYRVDPCYNREL-JTQLQIEISA-N 313.239 3.084 10 10 DGCE COc1ccc(N(C)Cc2csc([N+](=O)[O-])c2)cc1OC 63617394 LZXFILISOSWZHJ-UHFFFAOYSA-N 308.359 3.310 10 10 DGCE C[C@H]1CSCCN1c1ccc([C@@H](C)N)cc1Br 70220123 RZRYMLOJWZXHAE-VHSXEESVSA-N 315.280 3.411 10 10 DGCE COC(=O)Cc1nc2ccccn2c1/N=N\c1cc(C)ccc1O 71580882 SFDNICPMOVDWLQ-VXPUYCOJSA-N 324.340 3.479 10 10 DGCE Cc1c(C(=O)Nc2ccc(N)cc2)[nH]c2c1C(=O)CC(C)(C)C2 160394594 FGWKTSPHQRUCNR-UHFFFAOYSA-N 311.385 3.313 10 10 DGCE Cc1ccc(/C=C/C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 183444312 JJBCTZZSIAABBL-QSYFUGGGSA-N 311.381 3.167 10 10 DGCE Cc1nc(CC2CC2)sc1C(=O)N(C)Cc1ccccc1O 190639911 ASRLTWQPQPJDFA-UHFFFAOYSA-N 316.426 3.382 10 10 DGCE CC[C@@H]1CCCCN1c1ccc(CNCCOC)cc1OC 212650284 JRRAAZOWWVTNAC-MRXNPFEDSA-N 306.450 3.200 10 10 DGCE C[C@@H]1CN(c2ccc([C@@H](C)N)c(Br)c2)C[C@@H](C)O1 235222171 PVYHCRPVNPCIAE-GMTAPVOTSA-N 313.239 3.082 10 10 DGCE CC(=O)N(C(=S)N[C@H]1CCCC[C@@H]1C)c1ccc(N)cc1 242600392 CJVNSAOOOFTTOS-NHYWBVRUSA-N 305.447 3.075 10 10 DGCE Oc1ccc(Br)cc1CNC1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 300585045 ILTXCGJCAALADQ-QYAIJTBZSA-N 308.219 3.289 10 10 DGCE CCN(Cc1cc(Br)cc(C)c1O)[C@@H]1CCOC1 311171303 SWVVEANKMFBYNO-CYBMUJFWSA-N 314.223 3.074 10 10 DGCE NCc1cc(F)c(N2CCC3(CCC3)C2)cc1Br 380419628 AVEFUDCHUWFDFN-UHFFFAOYSA-N 313.214 3.427 10 10 DGCE Nc1ccc(NC(=O)C2=NO[C@H](c3c[nH]c4ccccc34)C2)cc1 586034584 JKFRQHBTSMZVNG-KRWDZBQOSA-N 320.352 3.206 10 10 DGCE C=Cc1ccc(O)c([C@H](CC(=O)O)NC(=O)OC(C)(C)C)c1 687752616 JFBRCDATWHGEBM-LBPRGKRZSA-N 307.346 3.076 10 10 DGCE C[C@H](N)c1ccc(N(C)C(C)(C)CCO)c(Br)c1 688348982 XOOKRODVIDNRFX-JTQLQIEISA-N 315.255 3.066 10 10 DGCE Oc1c(F)cc(Br)cc1CN[C@]12CCC[C@@H]1C2 715812255 JNHWZJHRQVZXTO-RNCFNFMXSA-N 300.171 3.326 10 10 DGCE CO[C@H]1CC[C@@H]1N(C)c1ccc([C@@H](C)O)cc1Br 724149979 IELUDSJMKZLAPN-IIMNLJJBSA-N 314.223 3.116 10 10 DGCE CCN1C(=O)/C(=C/c2cc(-n3ccnc3)cs2)SC1=S 783685231 LEMCSJWRMVKVAZ-WDZFZDKYSA-N 321.452 3.155 10 10 DGCE CC1(C)CCC[C@@H](CC(=O)OCC(=O)c2ccc(O)c(O)c2)C1 784377636 AFHQGLLACUGRMI-LBPRGKRZSA-N 320.385 3.430 10 10 DGCE Cc1oc(C2CC2)nc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 803121300 PFJOIBVPSASCQK-LLVKDONJSA-N 313.401 3.417 10 10 DGCE Cc1cc(Cl)cc([C@H](C)N[C@@H]2CCc3nc[nH]c3C2)c1O 810252774 JAGDGZACBXOBJP-CMPLNLGQSA-N 305.809 3.285 10 10 DGCE COc1cc(O)c(CN[C@@H]2Cc3ccccc3[C@@H]2C)cc1OC 827031483 WUYUXUKWTNDXKA-BLLLJJGKSA-N 313.397 3.227 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)Cc2ccco2)c1 830540696 NGXQJFQISURXCK-VXGBXAGGSA-N 303.358 3.050 10 10 DGCE Cc1cc(O)c(CN2CCS[C@H]3COCC[C@@H]32)c(Cl)c1 840923299 SALKZICBNCIJRA-ZFWWWQNUSA-N 313.850 3.060 10 10 DGCE COc1cc(Br)cc([C@@H](C)N[C@H]2CC23CC3)c1O 848553926 RNBQOBXQODYQCL-PELKAZGASA-N 312.207 3.366 10 10 DGCE Cc1cccc(CN[C@H](C[C@@H]2CCCO2)C(F)(F)F)c1O 848927785 NQBKXXUZDAJCFP-QWHCGFSZSA-N 303.324 3.290 10 10 DGCE C[C@H](N[C@@H]1C[C@@H](O)c2ccccc21)c1cc(F)cc(F)c1O 850529136 PJHSBVYEFXXIGC-OZUAJXCXSA-N 305.324 3.499 10 10 DGCE CN(C)c1ccc(CNC(=O)NC(C)(C2CC2)C2CC2)cc1 853245276 WMZHENFRFHGTJA-UHFFFAOYSA-N 301.434 3.131 10 10 DGCE Cc1ccccc1CO[C@H](C)C(=O)N(C)Cc1ccccc1O 860048056 PYIBGEFQEFBOCT-OAHLLOKOSA-N 313.397 3.264 10 10 DGCE O=C(c1cc(O)cs1)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 899425659 WZPVMXDHROXOCH-UFBFGSQYSA-N 305.321 3.258 10 10 DGCE Cc1nc([C@H]2CCN(Cc3c(O)ccc4ccccc34)C2)no1 905684888 GHBRASPUYNLVNY-AWEZNQCLSA-N 309.369 3.226 10 10 DGCE O=C(NCCCSc1nccs1)NC[C@@]12CCC[C@@H]1C2 921447745 RJZVVMBBFLHGRZ-RISCZKNCSA-N 311.476 3.115 10 10 DGCE COc1ccc(N(C)CCN(C)[C@@H](C)c2ccc(F)nc2)cc1 930852063 GEUCVYFVXLNIGK-AWEZNQCLSA-N 317.408 3.359 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)C[C@@H](C)c1ccncc1 935945029 IBKMQQRZDFAXSE-CYBMUJFWSA-N 319.401 3.083 10 10 DGCE Cc1cc(F)c(C(=O)NCc2ccc(N(C)C)cc2)c(F)c1 1124553603 SNEJPQYFAFJMOH-UHFFFAOYSA-N 304.340 3.269 10 10 DGCE CCCOc1cccc(C(=O)NCc2c(O)cccc2F)c1 1156170288 KAPFYEFMEXQVCF-UHFFFAOYSA-N 303.333 3.250 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccccc1-c1ncco1 1167441193 ZHWACFTUQIIIGV-VURMDHGXSA-N 322.320 3.405 10 10 DGCE O=C(Cc1ccc2cccnc2c1)N1Cc2cccc(O)c2C1 1175037980 NJVDDKHBLPVXMG-UHFFFAOYSA-N 304.349 3.025 10 10 DGCE Cc1ccc(C(=O)N(C)[C@H](C)Cc2cccs2)c(O)c1O 1445372317 UDTJROCTGCJUSD-LLVKDONJSA-N 305.399 3.171 10 10 DGCE Cc1ccncc1CC(=O)N(C)Cc1ccc(N2CCCC2)cc1 1523559747 OBPUBKXAIILJSK-UHFFFAOYSA-N 323.440 3.191 10 10 DGCE O=C(c1csc(-c2ccco2)n1)N1Cc2cccc(O)c2C1 1558035615 KXQGTVNCCCWKAF-UHFFFAOYSA-N 312.350 3.265 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)c2cc3ncccc3o2)c1 1631541938 CKHLYYYZXJAMAX-SNVBAGLBSA-N 312.325 3.033 10 10 DGCE O=C(NCc1c(O)cccc1F)c1cc(-c2ccccc2)no1 1635361003 WEOHQYKNAMVRGG-UHFFFAOYSA-N 312.300 3.116 10 10 DGCE CC[C@@H](Sc1ccccc1)C(=O)NCc1cc(O)ccc1O 1643881763 DJSGVQGUNPLDKW-MRXNPFEDSA-N 317.410 3.285 10 10 DGCE CCC[C@@H]1C[C@H]1C(=O)N[C@H](C)CNCc1ccc(OC)c(C)c1 1699378975 UUJWNEGHWISNPH-DJIMGWMZSA-N 318.461 3.034 10 10 DGCE COC[C@H](C)NC(=O)CCn1c2c(c3ccccc31)CCCC2 1852446327 GOKXMYGUDSVZIP-AWEZNQCLSA-N 314.429 3.061 10 10 DGCE C[C@@H](Oc1ccc(N)cc1)C(=O)NCc1ccc(Cl)cc1 1860081626 AKWFVYKWYXGNFU-LLVKDONJSA-N 304.777 3.006 10 10 DGCE CCCN1N=C(CC)/C(=C\c2cccc(OC)c2OC)C1=O 1865673033 RAGLQDDNEDPJKJ-ACCUITESSA-N 302.374 3.105 10 10 DGCE C[C@H]1C(CNCc2cc(Br)cc(F)c2O)[C@@H]1C 1907974011 GTHDFMYZEPYAFU-HTQZYQBOSA-N 302.187 3.285 10 10 DGCE Cc1cccc([C@H]2[C@H](N)CCCN2C(=O)OC(C)(C)C)c1O 1952606378 DIQMWSQNNUOGLT-KGLIPLIRSA-N 306.406 3.100 10 10 DGCE CC[C@H](NC(=O)OC(C)(C)C)[C@H](N)c1ccc(N(C)C)cc1 1959562314 KVYRXZRBMUMXII-LSDHHAIUSA-N 307.438 3.056 10 10 DGCE Oc1cccc(Br)c1CN[C@@H]1CC[C@H]2[C@@H]1C2(F)F 1966007371 DOXBWVJAGIEIHT-XRNSZHNASA-N 318.161 3.288 10 10 DGCE N[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)CC12CCC2 1967999009 CRGOIVRMSQQDFX-CYBMUJFWSA-N 315.244 3.402 10 10 DGCE C[C@H]1CN(c2ccc(N)cc2)C[C@H](C)N(C(=O)OC(C)(C)C)C1 1977931205 FXKVPKHOWFMNJY-KBPBESRZSA-N 319.449 3.351 10 10 DGCE NCc1ccc(N2CCC[C@@H](OCc3ccccc3)C2)cc1F 1987054115 HXSTYRCBTZTMQC-GOSISDBHSA-N 314.404 3.470 10 10 DGCE C[C@@H](F)[C@H]1CCCN1c1ccc(CN)cc1Br 2010590220 HLTSLPUPGGMOER-BXKDBHETSA-N 301.203 3.235 10 10 DGCE Oc1cccc(Br)c1CNC[C@@H]1CCC1(F)F 2011540299 LFTFOGITZFIOTA-QMMMGPOBSA-N 306.150 3.290 10 10 DGCE CC[C@]1(CNCc2cc(Br)ccc2O)CCCO1 2030256558 SOCFEPKDXBMXSD-CQSZACIVSA-N 314.223 3.204 10 10 DGCE C[C@@H](c1cc(Br)ccc1O)N(C)c1cnn(C)c1 2051207536 RJJNXBIZVCFCLI-VIFPVBQESA-N 310.195 3.086 10 10 DGCE CN(c1cc(Br)c(CN)cc1F)C1CC(CF)C1 2054698996 QNLWRTLOZOLFDU-UHFFFAOYSA-N 319.193 3.231 10 10 DGCE CC[C@H](CN(C)c1ccc([C@@H](C)O)c(Br)c1)OC 2068156609 BGEKHTTUZBGZIM-ZYHUDNBSSA-N 316.239 3.364 10 10 DGCE CC(C)c1cnn(Cc2cccc(Br)c2O)c1N 2070300932 OEYOVLOCAICPMD-UHFFFAOYSA-N 310.195 3.105 10 10 DGCE CC1(C)CNCC[C@H](Nc2c(N)cccc2Br)C1 2071634098 YNJXZLPJJAIPJI-JTQLQIEISA-N 312.255 3.221 10 10 DGCE Cc1nn(-c2ccc(O)c(O)c2)c(Br)c1C1(C)CC1 2079691847 SKEKACDARFTHKG-UHFFFAOYSA-N 323.190 3.406 10 10 DGCE Nc1ccc(CCC(=O)c2ccncc2Br)cc1 2080131727 OFSLDJLCXMCBRS-UHFFFAOYSA-N 305.175 3.242 10 10 DGCE CN1CCc2cc([C@@H](N)c3ncc(Cl)cc3Cl)ccc21 2163078307 ICFXCYHDMVJVOA-CQSZACIVSA-N 308.212 3.429 10 10 DGCE COC[C@H]1CC[C@@H](N(C)c2cc(Cl)c(CN)cc2F)C1 2177383611 OSNGIFAXOJRFSL-CMPLNLGQSA-N 300.805 3.189 10 10 DGCE C[C@H](N=c1c(F)c[nH]cc1Br)c1ccccc1O 2219375791 BRIPWLYJWRPHSX-QMMMGPOBSA-N 311.154 3.284 10 10 DGCE COc1c(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)csc1Cl 2268924672 XCVXEMINUXIOST-ZETCQYMHSA-N 300.771 3.183 10 10 DGCE N=C(NO)c1cnc(SCC2CC(C(F)(F)F)C2)s1 2278779346 GZXZZFQNAJDLMQ-UHFFFAOYSA-N 311.354 3.128 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)NCC1(Cc2ccccc2)CC1 2308001970 IWLRAHSPLSJTBI-UHFFFAOYSA-N 323.392 3.250 10 10 DGCE CC[C@@H](C)C(=O)N(C)Cc1ccc(C)c(Br)c1O 2327601879 CGRUEIHBWOEOKJ-SECBINFHSA-N 314.223 3.468 10 10 DGCE O=C(c1sccc1Cl)N1CCc2cc(O)c(O)cc2C1 2366904596 VCDDVURPIZPBJV-UHFFFAOYSA-N 309.774 3.011 10 10 DGCE COc1ccc(O)c(CN2C[C@H](C)O[C@@H](c3ccccc3)C2)c1 179854560 JJBCUCGEYURNRL-IFXJQAMLSA-N 313.397 3.363 10 10 DGCE Cc1cccc(CNC2CCN(C(=O)c3ccccc3)CC2)c1O 182124077 XYKOKENHAXPKCS-UHFFFAOYSA-N 324.424 3.095 10 10 DGCE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NCc1ccc2c(c1)CCO2 237516710 MALQOJFNDZGVRW-UZLBHIALSA-N 322.452 3.232 10 10 DGCE CCN[C@@H]1C(=O)Nc2cc(N(C)C[C@H]3C[C@@H]3C)c(Cl)cc21 252614027 XSPOEUONNZXPJG-WMFXKJRFSA-N 307.825 3.035 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)[C@H]1CCCC[C@@H]1OC 293376489 MKOIRPRTLDKXKC-RDJZCZTQSA-N 305.418 3.336 10 10 DGCE C[C@H](COCC(F)(F)F)NCc1cc(Cl)c(F)cc1O 293802440 CCEHNDCDWSRXBZ-SSDOTTSWSA-N 315.694 3.242 10 10 DGCE O=C(O)/C=C\c1ccc(N2C[C@@H]3C[C@H]3C2)c(Br)c1 380373893 FBOFCRJGZVDYHE-MTCWXPTMSA-N 308.175 3.003 10 10 DGCE COC(=O)Cc1cc(Br)c2scc(O)c2c1 396275882 OYIVNIQJASJXPU-UHFFFAOYSA-N 301.161 3.085 10 10 DGCE CCCN[C@@H](C)c1ccc(N(C)CC[S@](C)=O)c(Cl)c1 398986576 DHBAUIVHNPFJNZ-YUNKPMOVSA-N 316.898 3.215 10 10 DGCE CCN[C@@H]1CCN(c2ccc(OC(F)(F)F)c(Cl)c2)C1 401257636 KMXRDUDVSWMTOE-SECBINFHSA-N 308.731 3.427 10 10 DGCE C[C@H](N)c1ccc(N(C)[C@@H]2CO[C@H](C)C2)cc1Br 401560726 GHQCFCZPQLLPRF-SCVCMEIPSA-N 313.239 3.082 10 10 DGCE Oc1cc2c(cc1CN1CCc3nc(C4CC4)ncc3C1)CCC2 530105018 NXFIUYJZYHDYSS-UHFFFAOYSA-N 321.424 3.107 10 10 DGCE CN(C)c1ccc([C@@H](NN)c2cccc(Br)c2)cc1 688561620 MLNFUDYPPKRZLI-OAHLLOKOSA-N 320.234 3.068 10 10 DGCE C[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C)c1ccccc1O 704620536 KLKSSYIJQPRCBZ-GUTXKFCHSA-N 320.433 3.441 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)c1nc(C)nc2[nH]ccc12 770473663 XWYGNJZNCLEFSE-UHFFFAOYSA-N 309.417 3.359 10 10 DGCE Cc1cc(CCNCc2csnn2)c(C)n1-c1ccccc1 775823404 QXURNCRHROTQBM-UHFFFAOYSA-N 312.442 3.278 10 10 DGCE C[C@]1(c2ccc(F)cc2)CCN(C(=O)c2cc(O)cs2)C1 796511132 QLYGCHBFWVQFIU-INIZCTEOSA-N 305.374 3.397 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2Cc3c[nH]nc3C2)c1 820213075 GWFASRRTFWDWFY-UHFFFAOYSA-N 320.396 3.282 10 10 DGCE C[C@@]1(c2ccccc2)CCN(C(=O)c2c(F)ccc(O)c2O)C1 826826406 ZHWZXZZRHYBRJF-GOSISDBHSA-N 315.344 3.041 10 10 DGCE C[C@@H](O)[C@@H](NCc1cc(Cl)c(F)cc1O)c1ccccc1 827855460 DIMBBWYAQSXKTH-QLJPJBMISA-N 309.768 3.396 10 10 DGCE CN(C)c1ccc(/C=C/CN2CC[C@@H](CN3CCCC3)C2)cc1 835026073 PEFSTINFGKLVHO-UEKDZROGSA-N 313.489 3.184 10 10 DGCE C[C@H](NC/C=C/c1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1 835052521 GIYFUMZIVTWPSM-KJOHCHSBSA-N 310.441 3.478 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1[C@H](C)C[C@H]1C 840481407 DMBLHILGLPJQFH-RRFJBIMHSA-N 303.450 3.184 10 10 DGCE Cc1cc(O)c(CNC[C@H](O)c2ccccc2F)c(Cl)c1 840882071 LZATVGYBWRILRC-INIZCTEOSA-N 309.768 3.316 10 10 DGCE OC[C@@]1(CNCc2cc(Cl)ccc2O)CCc2ccccc21 846011776 POVNTSZBKUOGOV-SFHVURJKSA-N 317.816 3.012 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@@H]2CCCN3CCCC[C@@H]23)cc1 848574126 AAJHLSQTOZKVGQ-GWUCSLHKSA-N 313.489 3.372 10 10 DGCE C[C@@H](O)[C@@H](NCc1c(O)ccc(Cl)c1F)c1ccccc1 850421573 YTUDSRGPXOKKBV-QLJPJBMISA-N 309.768 3.396 10 10 DGCE CCCCN(Cc1ccccc1O)[C@@H](C)c1n[nH]c(CC)n1 852018260 KTAWZVQMKPUFCZ-ZDUSSCGKSA-N 302.422 3.436 10 10 DGCE C[C@@H]1CCC[C@@H](CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)O1 852261107 KSCDXGWCKJMRAW-CPUCHLNUSA-N 319.449 3.070 10 10 DGCE CC[C@H](N[C@H]1C[C@H](C(N)=O)C1)c1cc(Cl)cc(Cl)c1O 858494818 OGECOPJYRJZFKC-DXBFQKDVSA-N 317.216 3.004 10 10 DGCE COc1cncc(CNCCCSc2nccs2)c1C 865469164 QTZFCUHXSWSZMU-UHFFFAOYSA-N 309.460 3.127 10 10 DGCE C[C@H](NC(=O)N[C@H](C1CCC1)[C@@H]1CCCO1)c1ccccc1O 868988694 AZIIZEGSKZSRHV-AFAVFJNCSA-N 318.417 3.100 10 10 DGCE COc1cc(C)cc(CN2CCCC[C@H](N3CCCC3)C2)c1O 893986116 JWNBDAAVSMMBEZ-KRWDZBQOSA-N 318.461 3.160 10 10 DGCE CCn1nc(C)c(CN(C)Cc2cc(F)cc(F)c2O)c1C 895417008 LFYFDRBJUZKQMO-UHFFFAOYSA-N 309.360 3.136 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)C2C[C@@H]3CC[C@H](C2)S3)c1 896164870 UDHCPAYCBIUKLO-WDFAYWTNSA-N 321.442 3.252 10 10 DGCE Cc1ccc([C@H](NC/C=C/c2ccc(N(C)C)cc2)C(=O)O)cc1 901775752 SZJXYCICRCPUHF-PXPVJAHISA-N 324.424 3.490 10 10 DGCE c1cc(N2CCOCC2)ccc1CNCC[C@@H]1CC[C@H]2C[C@H]12 922440604 SNHQPHGIWVQFTK-JENIJYKNSA-N 300.446 3.049 10 10 DGCE CC(C)(/C=C\Cl)NCc1ccc(N2CCC(O)CC2)cc1 922644084 FYJGEFANYXOGFU-KTKRTIGZSA-N 308.853 3.268 10 10 DGCE Cc1cc(Cl)cc([C@H](C)NCCOC2CCOCC2)c1O 927077043 QTVIUKIENCCSRR-LBPRGKRZSA-N 313.825 3.200 10 10 DGCE C[C@H](NCCOC1CCOCC1)c1ccc2ccccc2c1O 927080156 QJQKCMGCRDMADO-AWEZNQCLSA-N 315.413 3.392 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@]12CCCC[C@@H]1OCC2 929533368 SFKLNWWMXLCEJD-HKUYNNGSSA-N 316.445 3.060 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N=S2(=O)CCCC2)cc1 1132285090 BZQZGBIVXKZUME-UHFFFAOYSA-N 316.426 3.496 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2CCOCc1ccccc1 1168860279 WMBPPAMSHZYCAA-UHFFFAOYSA-N 312.413 3.168 10 10 DGCE c1ccc2c(c1)CCO[C@@H]2CCNCc1ccc2c(c1)CCO2 1179665484 CWQWAVUKKBRMMI-HXUWFJFHSA-N 309.409 3.415 10 10 DGCE Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCC(C)(C)[C@@]1(O)CCOC1 1326216900 XPLAJGDCCICXBS-BIENJYKASA-N 319.445 3.016 10 10 DGCE c1ccc2c(c1)CCN2CCNCc1ccc2c(c1)CCCO2 1461115211 IQQDPXCOWHRSRV-UHFFFAOYSA-N 308.425 3.164 10 10 DGCE COc1cccc(CNC(=O)c2ccccc2-n2cccc2)c1O 1566374340 DUMSBJDQNDDRIB-UHFFFAOYSA-N 322.364 3.122 10 10 DGCE CCSCc1ccccc1C(=O)NCc1cccc(O)c1O 1593738874 BFMSNTUGNYUKIG-UHFFFAOYSA-N 317.410 3.281 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2ccc(-c3cnco3)cc2)c1 1629736452 GUWVPYCUCRDWRL-UHFFFAOYSA-N 308.337 3.286 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)c1cccc2c1COCC2 1640924931 WXCXTYWBJWLXIL-UHFFFAOYSA-N 317.772 3.048 10 10 DGCE C/C(=C/c1ccccc1Cl)C(=O)NCc1cccc(O)c1O 1644710846 LHGFJGIOVFWIDS-LUAWRHEFSA-N 317.772 3.471 10 10 DGCE CCOC(=O)CCCCCN(C)c1ccc(OC)c(OC)c1 1652395220 PZMWZZJISHNCDC-UHFFFAOYSA-N 309.406 3.264 10 10 DGCE Cc1nnc(N2CCC[C@H]2C)n1CCCSc1nccs1 1742820160 OMWHJTYSDLPQOH-LLVKDONJSA-N 323.491 3.214 10 10 DGCE CC1=NN(Cc2cccc(F)c2)C(=O)/C1=C/c1cccc(O)c1 1865649844 HHBJPMZHVMVNEF-LICLKQGHSA-N 310.328 3.333 10 10 DGCE CC1(C)CC[C@@H](N)CN1Cc1cc(Cl)cc(Cl)c1O 1879076762 VGZIMRDOQWHCNQ-LLVKDONJSA-N 303.233 3.401 10 10 DGCE OCc1ccc(N2CC[C@@H]2C(F)(F)F)cc1Br 1916188219 HIJMBKUNWLKLPP-SNVBAGLBSA-N 310.113 3.082 10 10 DGCE C[C@@H]1[C@H](C[C@H](N)c2ccccc2O)CCN1C(=O)OC(C)(C)C 1938763273 SCUTUCLROOMCKV-IPYPFGDCSA-N 320.433 3.428 10 10 DGCE c1ccc(CN2CC(CNCc3ccc4c(c3)CCCO4)C2)cc1 1940385853 YOSXSTZHHISLRW-UHFFFAOYSA-N 322.452 3.233 10 10 DGCE CC(C)(C)OC(=O)N1CCC2(CCCN2CCN=[N+]=[N-])CC1 1962300464 QVZXDAIFYSOERQ-UHFFFAOYSA-N 309.414 3.162 10 10 DGCE Oc1cc(F)ccc1CNCc1ccc(Br)o1 1964600075 SMGQDVGYBCRPNG-UHFFFAOYSA-N 300.127 3.177 10 10 DGCE CN[C@H](CNC(=O)OC(C)(C)C)c1ccc(N2CCCC2)cc1 1977941090 JLWIEXYUUMYBGP-MRXNPFEDSA-N 319.449 3.072 10 10 DGCE CCN(CC)c1ccc([C@H](N)[C@@H](C)NC(=O)OC(C)(C)C)cc1 1977944513 GVWVKTAVOAXDHD-CZUORRHYSA-N 321.465 3.446 10 10 DGCE CC(C)NCCN(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 1978853909 RBWRFOKPMDUGPQ-UHFFFAOYSA-N 321.465 3.146 10 10 DGCE C[C@@H]1CC[C@H]1N(C)c1cc(Br)c(CN)cc1F 1998771873 PZXUJBMVXQOPCP-PRHODGIISA-N 301.203 3.282 10 10 DGCE C[Si]1(C)CCN(c2ccc(CO)cc2Br)CC1 2012638650 BXODMWCADVWZHQ-UHFFFAOYSA-N 314.299 3.470 10 10 DGCE CO[C@@H]1C[C@@H](C)CN(Cc2c(O)cccc2Br)C1 2085081203 OCWVTTGWBIFDRN-GHMZBOCLSA-N 314.223 3.012 10 10 DGCE Cc1cccnc1CN(C)c1ccc(CN)c(Br)c1 2105349250 MHOXXMKWKVYGKX-UHFFFAOYSA-N 320.234 3.248 10 10 DGCE CCn1cc(Br)c(=N[C@@H](C)c2ccc(C)cc2O)[nH]1 2124742019 UIJPKIRQNHKUFD-JTQLQIEISA-N 324.222 3.275 10 10 DGCE Cn1nc(C(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)c(Cl)c1Cl 2155556566 RDLRCOQESWVKAG-SSDOTTSWSA-N 317.180 3.032 10 10 DGCE CN[C@]1(C(=O)O)C[C@@H](Sc2nccs2)CC2(CCC2)C1 2183538520 MXQNFEMPEBLYLP-IINYFYTJSA-N 312.460 3.001 10 10 DGCE CCN[C@@H]1CCCN(c2ccc(OC)cc2Br)C1 2221625133 KLYVJZOMUINUAQ-LLVKDONJSA-N 313.239 3.036 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)Cc1ccc(Br)cc1 2225796874 AYYCGVQOYYXQKG-VXGBXAGGSA-N 323.194 3.339 10 10 DGCE CNCc1ccc(N2CCC[C@@H](OC(F)F)C2)c(Cl)c1 2235667929 YIONAIODIPSLNN-LLVKDONJSA-N 304.768 3.267 10 10 DGCE CC[C@@H]1CN[C@H](CC(C)C)CN1Cc1cnc(SC)s1 2284678517 WUXKXCBPPAYVPV-CHWSQXEVSA-N 313.536 3.464 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)c1cnc(C(F)(F)F)s1 2289294629 AKGYFGRNOYCVMM-PHDIDXHHSA-N 305.285 3.123 10 10 DGCE CCN(C=C1SC(=S)N(c2cccc(OC)c2)C1=O)CC 2313609799 NLHXMDNSWFDUNW-UHFFFAOYSA-N 322.455 3.243 10 10 DGCE Cc1ccc([S@](=O)CCCOc2ccc(N)cc2)c(C)c1 40962793 LOBYGEMUVRNIQS-NRFANRHFSA-N 303.427 3.462 10 10 DGCE CCc1cc([C@H]2CCCN2Cc2ccc(OC)cc2O)on1 64984357 WZAKIJOVSLMHCI-OAHLLOKOSA-N 302.374 3.288 10 10 DGCE C[C@@H]1CN(c2c(F)cc(/C=C/C(=O)O)cc2F)C[C@@H](C)S1 70384720 WPKHCQNVJJFFBJ-HIHHVFROSA-N 313.369 3.393 10 10 DGCE CCc1cc(C)c(C(=O)NCc2ccc(N(C)C)c(F)c2)o1 136116112 BSIBMQRGZVMCGC-UHFFFAOYSA-N 304.365 3.286 10 10 DGCE COc1cc(CN(C)CCc2ncc(C)s2)c(O)cc1C 160496121 XZSRCJGBBOUUDE-UHFFFAOYSA-N 306.431 3.149 10 10 DGCE C[C@H](NCc1ccnc(OCC(F)F)c1)c1ccccc1O 183644329 RREYXIQPCZZBJS-NSHDSACASA-N 308.328 3.282 10 10 DGCE COC(=O)/C=C\c1ccc(N(C)Cc2ccco2)c([N+](=O)[O-])c1 255106648 OIFIVERGRAJWIJ-VURMDHGXSA-N 316.313 3.010 10 10 DGCE O=[N+]([O-])c1sc2ccc(I)cc2c1O 306929517 AZKWYJMUCUOJJC-UHFFFAOYSA-N 321.095 3.120 10 10 DGCE C[C@]1(c2ccccc2)CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 367930590 LFWUQIQBORVYMI-MFUYTVRRSA-N 323.392 3.301 10 10 DGCE COc1ccc(O)c([C@H](C)NC[C@H]2CCN2C2CCCCC2)c1 527951201 QPKKMVCXFUPZLR-GOEBONIOSA-N 318.461 3.458 10 10 DGCE CO[C@@H](CNCc1ccc(Br)cc1O)C1CCC1 692916705 VKAJZJCWLZDMTE-AWEZNQCLSA-N 314.223 3.059 10 10 DGCE Oc1c(F)cc(Br)cc1CNc1ccc(F)nc1 715814880 TWEPNUTVWWFPOF-UHFFFAOYSA-N 315.117 3.440 10 10 DGCE COc1ccc(O)c([C@H](C)NCCN2[C@H](C)CCC[C@H]2C)c1 756552418 MGIJRFOAYIGCQI-KFWWJZLASA-N 306.450 3.314 10 10 DGCE Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1cc(O)cs1 768728419 FLIQYVBGCCKZID-SECBINFHSA-N 307.419 3.205 10 10 DGCE CCOC[C@H](C)NC(=O)N(C)Cc1ccc(N(CC)CC)cc1 777696005 SEBGPDBAESGGRF-HNNXBMFYSA-N 321.465 3.099 10 10 DGCE C[C@H](N[C@@H]1CNCCC1(F)F)c1ccc(N2CCCCC2)cc1 817979819 OVHAJPUYLDNADJ-WMLDXEAASA-N 323.431 3.325 10 10 DGCE C[C@@H](NCCCC1CCOCC1)c1cc([N+](=O)[O-])ccc1O 834818198 IBOCBOKMARYEFN-GFCCVEGCSA-N 308.378 3.158 10 10 DGCE Nc1ccc(NC(=O)N[C@H](c2ccccc2)[C@@H]2CCOC2)cc1 841296702 XQFPPRRWBXEOLG-RHSMWYFYSA-N 311.385 3.168 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCCC3(C)C)C2)cc1 855223613 BKVXYFIYBNXOAA-WMLDXEAASA-N 316.445 3.216 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2[C@@H](C)C[C@H]2C)cc1 861438811 OWOOKFMETCNJMC-OKILXGFUSA-N 324.424 3.458 10 10 DGCE Cc1nc(CC2CC2)sc1C(=O)N1Cc2cccc(O)c2C1 871203605 DDDXGYWBEJZNLR-UHFFFAOYSA-N 314.410 3.266 10 10 DGCE Cc1cccc(O)c1CNCC[C@@H](C)NC(=O)OC(C)(C)C 877023516 UYAOQUGMUGUDMG-CYBMUJFWSA-N 308.422 3.094 10 10 DGCE CCN(C)c1ccc([C@H](C)NCCc2cc(C)n(C)n2)cc1 926914876 MIYUVWNUTYUODO-HNNXBMFYSA-N 300.450 3.078 10 10 DGCE Cc1cnc(OC(C)C)c(NC(=O)c2ccc(C)c(O)c2O)c1 1159218520 HUOYKALXTXTZGW-UHFFFAOYSA-N 316.357 3.149 10 10 DGCE CCC[C@H](C)C(=O)N(C)C[C@@H](C)NCc1ccc(OC)c(C)c1 1277770880 JJSDCDXYFOMJIW-GOEBONIOSA-N 320.477 3.376 10 10 DGCE O=C(NCc1cc(O)ccc1O)[C@@H]1C[C@H]1c1cccc(Cl)c1 1455354317 MDMMIHLCVUGEBT-LSDHHAIUSA-N 317.772 3.171 10 10 DGCE C[C@H](Cc1cccc(F)c1)C(=O)NCc1c(O)cccc1F 1456109422 YMPLIDZJARHOBH-LLVKDONJSA-N 305.324 3.165 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCc1ccc[nH]1 1465457357 MZPVGAWYYHIPJB-UHFFFAOYSA-N 321.380 3.165 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1cnc2ccccn12 1597737006 QWKKQMMPMNAOCE-UHFFFAOYSA-N 317.348 3.123 10 10 DGCE COc1cc2ccccc2cc1C(=O)NCc1ccc(O)cc1O 1626838266 URPCZVHBVPBBET-UHFFFAOYSA-N 323.348 3.190 10 10 DGCE COC(=O)c1cc(OC[C@@H]2CC[C@@H]3C[C@@H]3C2)ccc1N(C)C 1641368746 TYBISABBDXSEKC-MCIONIFRSA-N 303.402 3.354 10 10 DGCE CCc1cccc(CN(C)c2ccc(OCC(=O)OC)cc2)c1 1642690096 YAXOWEAFYYHQNF-UHFFFAOYSA-N 313.397 3.437 10 10 DGCE O=C(NCc1cccc(Cl)c1O)c1c(F)cc(F)cc1F 1653567318 UOWNDGOAEYLAMC-UHFFFAOYSA-N 315.678 3.393 10 10 DGCE Nc1ccc(CCNc2c(N)ccc(F)c2Br)cc1 1876396014 QFOOCOOKHGWBBB-UHFFFAOYSA-N 324.197 3.407 10 10 DGCE CN(C(=O)OC(C)(C)C)C1(C[C@H](N)c2ccccc2O)CC1 1925874045 SGMXZQDQMSJDCH-ZDUSSCGKSA-N 306.406 3.182 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[C@H](N)c1ccccc1O 1936984507 OIWQXNRAIXYEFV-XEZPLFJOSA-N 320.433 3.333 10 10 DGCE Oc1c(Br)cccc1CN[C@@H]1CC[C@H]2[C@H]1C2(F)F 1967820420 RRQITAPJMLZBTO-JMJZKYOTSA-N 318.161 3.288 10 10 DGCE COc1ccc(Br)cc1[C@H](N)c1ccccc1O 2029561169 XOUCBUMWKDHQPK-CQSZACIVSA-N 308.175 3.211 10 10 DGCE O=C(C=Cc1cccnc1)NCc1ccc(N2CCCC2)cc1 2041107195 PENQWSAIGXAAQW-UHFFFAOYSA-N 307.397 3.011 10 10 DGCE C[C@@H]1CO[C@@H](CN(C)Cc2ccc(Br)cc2O)C1 2047489346 AZRUZTQZNWNSIV-GXFFZTMASA-N 314.223 3.012 10 10 DGCE Cc1ccc(O)c([C@H](C)n2nc(C3CC3)cc2C(=O)N(C)C)c1 2070086716 IPEVIRKJZBCJSB-LBPRGKRZSA-N 313.401 3.086 10 10 DGCE Nc1ccc(CNc2cc(F)c(Br)cc2N)cc1 2071652623 MUVJYBVKOPUPGD-UHFFFAOYSA-N 310.170 3.365 10 10 DGCE CN[C@H]1CCc2cc(N(C)CC3(Br)CC3)ccc21 2076247267 FHGGBVXGHDBRAC-AWEZNQCLSA-N 309.251 3.257 10 10 DGCE Cc1ccc([C@H](C2CCC2)n2nc(C3CC3)c(N)c2N)c(O)c1 2079003591 CGEIZXVNGYZZEZ-KRWDZBQOSA-N 312.417 3.328 10 10 DGCE CC[C@H](c1ccc(C)cc1O)n1nc(C(C)(C)C)c(N)c1N 2079039456 GKZXATAZLJEYDU-GFCCVEGCSA-N 302.422 3.358 10 10 DGCE CCNCc1ccc(N2C[C@H]3C[C@H]2[C@@H]2C[C@@H]32)c(Br)c1 2103270546 JBPUXCZDSHIQKX-IATRGZMQSA-N 321.262 3.403 10 10 DGCE CCCN[C@H](C)c1cnc(SCCCC(=O)OC)s1 2103565281 CPNBUHZZSLZCIV-SNVBAGLBSA-N 302.465 3.249 10 10 DGCE CN[C@H](C)c1ccc(N(C)Cc2cnco2)cc1Br 2105605315 SIXKPDRDAVJYRI-SNVBAGLBSA-N 324.222 3.354 10 10 DGCE NCc1cc(F)c(N2CCS[C@@H]3CCC[C@@H]32)cc1Cl 2120882111 TVMPGFNDAXXBJF-GXTWGEPZSA-N 300.830 3.412 10 10 DGCE C[C@H](N)c1ccc(N2CCn3ncc(Cl)c3C2)cc1Cl 2154042972 ZVDDSKYTXZKRDD-VIFPVBQESA-N 311.216 3.230 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 2155554123 WEEIUWUBTFWXIX-NSHDSACASA-N 314.798 3.194 10 10 DGCE C[C@@H]1SCCS[C@@H]1[C@H](N)c1ccc2c(c1)CCCN2C 2163096980 KEWJNTGMPOXKRB-XZJROXQQSA-N 308.516 3.306 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@@H]1NC(=O)c1nc(Cl)ccc1Cl 2225796349 WITQZKLWMSNNJT-YUMQZZPRSA-N 300.149 3.350 10 10 DGCE c1cc(N2CCCC2)ccc1CNC1CSCCSC1 2237049302 YQFSRSDZQKUKBL-UHFFFAOYSA-N 308.516 3.225 10 10 DGCE Cc1ccc(C=C2SC(=S)N(Cc3ccon3)C2=O)cc1 2300339077 WKFDQDIQCYCMES-UHFFFAOYSA-N 316.407 3.384 10 10 DGCE Oc1ccc(Br)cc1CN[C@H]1C[C@@H]2C[C@H]1[C@H]1C[C@@H]21 2309578994 RNOJMAXUNVQNNH-KDPWEKEESA-N 308.219 3.289 10 10 DGCE CC(C)(C)c1ccc(C=C2SC(=S)N(CCO)C2=O)cc1 2323676418 UODCDYBIXZHMTE-UHFFFAOYSA-N 321.467 3.178 10 10 DGCE CC(=O)N[C@H](c1ccco1)c1cc(Cl)c2cccnc2c1O 2470679 DQTIFNBWFWGMEC-AWEZNQCLSA-N 316.744 3.412 10 10 DGCE CCCCCCOCC(=O)N[C@@H](C)c1cc(OC)ccc1O 107767644 RQEUKHWPAJCWQA-ZDUSSCGKSA-N 309.406 3.175 10 10 DGCE CC/C=C/COC(=O)/C=C/c1ccc(N2CCOCC2)cc1 66729779 DJFOWUOZZDSWGL-YZQQHVNFSA-N 301.386 3.046 10 10 DGCE COC(=O)/C=C/c1ccc(N2C[C@H](C)CC[C@@H]2C)c([N+](=O)[O-])c1 301465729 XFFIAMGFYYJTHT-PYISVCGKSA-N 318.373 3.406 10 10 DGCE Clc1cc(CNC2CC2)ccc1N1CCO[C@H]2CCC[C@H]21 227544707 UHCAZPSNOJVWJZ-SJORKVTESA-N 306.837 3.350 10 10 DGCE COc1ccc(O)c(CNCc2ncc(C(F)F)s2)c1 2369610434 KEWNOOVFWRBMSQ-UHFFFAOYSA-N 300.330 3.085 10 10 DGCE C[C@H](NCc1cc(F)ccc1O)c1nc(C2CCCC2)no1 191583289 JMZHZIAMYDDFDV-JTQLQIEISA-N 305.353 3.423 10 10 DGCE Nc1ccc(OCCC(=O)Nc2cc(Cl)ccc2F)cc1 40303239 IBHBVNKVBKCSRG-UHFFFAOYSA-N 308.740 3.469 10 10 DGCE C[C@H](N)c1ccc(N2CCOC(C)(C)C2)cc1Br 235511043 UJVXPTAFUXNTEL-JTQLQIEISA-N 313.239 3.084 10 10 DGCE C[C@H](N)c1ccc(N2CC[C@H](OCc3ccccc3)C2)cc1O 384110363 IAWMLUVFPFQDJC-YOEHRIQHSA-N 312.413 3.207 10 10 DGCE Cc1nc(C[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)no1 92813965 YHXIPQLQGVWUON-LBPRGKRZSA-N 321.808 3.192 10 10 DGCE C[C@H](N[C@H]1CCC[C@H]1O)c1ccc(N2CCCCC2)c(F)c1 246508015 TWKLSUQHWPOYKN-QANKJYHBSA-N 306.425 3.380 10 10 DGCE COC[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccccc1 273447791 FLNOIHAAEABZBF-LRDDRELGSA-N 316.357 3.339 10 10 DGCE COc1ccc(O)c(CNc2cc(OC)c(F)cc2[N+](=O)[O-])c1 811805507 VHHBJXHLNOGOEM-UHFFFAOYSA-N 322.292 3.069 10 10 DGCE CN1CCCc2cc(CNC(=O)c3ccc(F)s3)ccc21 824683137 XJWKAWLATNPWFZ-UHFFFAOYSA-N 304.390 3.200 10 10 DGCE CC[C@H](NC[C@]1(OC(C)C)CCOC1)c1ccc(C)cc1O 903357571 NUDONISHGNSPBC-FUHWJXTLSA-N 307.434 3.325 10 10 DGCE Cc1ccc(N2CCCN(C(=O)c3cc(O)cs3)CC2)cc1 732274147 DBPDSOOLPWHNHR-UHFFFAOYSA-N 316.426 3.115 10 10 DGCE C[C@H](NC(=O)C[C@H](C)[C@@H]1CCCO1)c1ccc(N(C)C)cc1 832435581 CGJQHMLTMJWYKQ-ZQIUZPCESA-N 304.434 3.135 10 10 DGCE CCn1nncc1CN(CCC(C)C)c1ccc(OC)cc1 838977307 KFNQAPBXXNBBPE-UHFFFAOYSA-N 302.422 3.359 10 10 DGCE CC(=O)C(C)(C)CCC(=O)NCc1c(O)ccc2c1CCCC2 746239317 FINSUKRDYALFFF-UHFFFAOYSA-N 317.429 3.283 10 10 DGCE CCO[C@@H](CN[C@@H](CC)c1cccc(Cl)c1O)CN(C)C 926962609 RASLHIDZSKWTER-WFASDCNBSA-N 314.857 3.053 10 10 DGCE Cc1cccc2c1CCC[C@H]2NC(=O)NCCc1ccc(N)cc1 851664672 IJGYPEZHLOYBBU-LJQANCHMSA-N 323.440 3.497 10 10 DGCE C/C=C\C[C@@H](NCc1cc(Cl)cc(F)c1O)C(=O)OCC 763360454 DPQACLADJYLRIE-HSBHDXMMSA-N 315.772 3.172 10 10 DGCE Cc1cc(N(C)C)ccc1CNCc1ccc(-c2cc[nH]n2)o1 788515586 KHLPXBRWJUDJRF-UHFFFAOYSA-N 310.401 3.334 10 10 DGCE Cc1cc(C)c2c(c1)N(C(=O)/C=C/c1ccc(C)nc1)CCO2 1130699705 JQPVQCZFESLLQO-VOTSOKGWSA-N 308.381 3.446 10 10 DGCE COc1ccc(O)c(CN[C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)c1 798493821 TXWPSLWCGZUWSP-IJEWVQPXSA-N 305.418 3.086 10 10 DGCE CC(C)(C)OC(=O)N[C@]12CCC[C@H]1CN(CCCCN=[N+]=[N-])C2 1897292224 WISRYJVTGYTNHJ-BBRMVZONSA-N 323.441 3.456 10 10 DGCE CCN(Cc1ccc(N)cc1)C[C@H](C)NC(=O)OC(C)(C)C 1959550497 ZUWZBWOTLXDKNR-ZDUSSCGKSA-N 307.438 3.004 10 10 DGCE C[C@@H](NC(=O)Cc1cncc2ccccc12)c1ccccc1O 1302532444 CRACQKZVHOAHDQ-CYBMUJFWSA-N 306.365 3.360 10 10 DGCE COc1c(C(=O)N2CCC[C@H](N=[N+]=[N-])C2)csc1Cl 2268929564 DMNBAPGUEZRHTF-ZETCQYMHSA-N 300.771 3.325 10 10 DGCE CC(C)(C)OC(=O)Nc1cccc(C(=O)NCCCN=[N+]=[N-])c1 1963698144 IGDIBEUHWBJJGV-UHFFFAOYSA-N 319.365 3.464 10 10 DGCE COc1ccc(CNCc2ccc(Br)cc2O)cc1 691439488 GLGWRTDSFDCSGW-UHFFFAOYSA-N 322.202 3.453 10 10 DGCE COc1ccc(N(Cc2cn(C(C)C)nn2)C(C)C)cc1F 1343790355 PINAVQWKJJGWQF-UHFFFAOYSA-N 306.385 3.422 10 10 DGCE COc1ccc(N2CCN([C@H](C)CC(C)C)CC2)c(OC)c1 1197104625 IXFPVARJWYROBT-OAHLLOKOSA-N 306.450 3.260 10 10 DGCE Cc1cc(C(=O)N2CCCCO2)c(C)n1-c1ccc(F)cc1 1296666637 AJPFJVFYLRZAHU-UHFFFAOYSA-N 302.349 3.401 10 10 DGCE CN(c1ccc(CN)c(Br)c1)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21 2116354201 IPAANTUIOIJFNU-QPVMMRRFSA-N 321.262 3.389 10 10 DGCE O=C(Cc1cc(-c2ccccc2)on1)N1Cc2cccc(O)c2C1 1471355762 UPHZSZSGMLHORU-UHFFFAOYSA-N 320.348 3.132 10 10 DGCE O=C(Nc1nc2ccsc2s1)c1c(F)ccc(O)c1O 1610937887 FYLAMQICPFRPPX-UHFFFAOYSA-N 310.331 3.160 10 10 DGCE COC(=O)[C@@H](N[C@@H](C)c1ccccc1O)c1ccccc1F 1620505320 WQAXMUXXTQLPSP-ZBEGNZNMSA-N 303.333 3.096 10 10 DGCE O=C(Cc1cccc2ccccc12)NCc1ccc(O)cc1O 1638351899 HOTXMYILXSHFFM-UHFFFAOYSA-N 307.349 3.110 10 10 DGCE CC(=O)c1csc(C(=O)NCc2cc(Cl)ccc2O)c1 1640920361 PCARKHTUGJNSRE-UHFFFAOYSA-N 309.774 3.240 10 10 DGCE C[C@@H](NC(=O)c1ccnn1-c1ccccc1)c1ccccc1O 1642827165 AISWPQMXAJYSIW-CYBMUJFWSA-N 307.353 3.069 10 10 DGCE CCN1/C(=C/C=C2/SC(=S)NC2=O)C=Cc2ccccc21 16681908 LSOPCRXVPTYJQX-USTLKGCXSA-N 314.435 3.455 10 10 DGCE CNCc1ccc(N(C)C2CCOCC2)c(C(F)(F)F)c1 163680143 SQCHGLJTFCPWRK-UHFFFAOYSA-N 302.340 3.040 10 10 DGCE CC(C)NCc1ccc(N2[C@H]3CC[C@H]2CC(O)C3)c(Cl)c1 164086570 KMWCFZFGIQLHRC-KBPBESRZSA-N 308.853 3.330 10 10 DGCE Cc1nn(C)c(Br)c1CN[C@H](C)c1ccccc1O 2129294447 IDIDRDSYUPPNJR-SECBINFHSA-N 324.222 3.047 10 10 DGCE Nc1ccc(NC(=O)C2=NO[C@@H](c3ccc(F)c(F)c3)C2)cc1 586036674 RQTPBMLRIVKZGW-OAHLLOKOSA-N 317.295 3.003 10 10 DGCE Oc1ccc(F)cc1CNc1csnc1Br 1925111645 AJZGDUCQNZQTRZ-UHFFFAOYSA-N 303.156 3.362 10 10 DGCE CCCN(CC[C@@H](N)c1ccccc1O)C(=O)OC(C)(C)C 1928470314 CUCLHRMMTBEHGN-CQSZACIVSA-N 308.422 3.429 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](CC[C@@H](N)c2ccccc2O)C1 1936986444 HYGXCEKENCMGHH-DZGCQCFKSA-N 320.433 3.429 10 10 DGCE Oc1ccc(Br)cc1CNC[C@@H]1CC[C@H](F)C1 1945256780 WMYKXMLFIYOVTG-SKDRFNHKSA-N 302.187 3.383 10 10 DGCE CC(C)(C)OC(=O)Nc1ccc([C@@H]2CSCCN2)c(O)c1 1952844732 KMRLPPFGIOPCDU-LBPRGKRZSA-N 310.419 3.117 10 10 DGCE CC(C)(C)OC(=O)N1CC(N(CC2CC2)c2ccc(N)cc2)C1 1977959777 JWARRYYXUNZYPU-UHFFFAOYSA-N 317.433 3.105 10 10 DGCE C[C@@H](CC[C@H](O)c1ccc(N(C)C)cc1)NC(=O)OC(C)(C)C 1977939964 UJJFKTIOLLUOBI-BBRMVZONSA-N 322.449 3.479 10 10 DGCE C[C@@H](NCc1nn(C)c(Cl)c1Cl)c1ccc(F)cc1O 2150752036 PNDPNMHJFIDOIP-SSDOTTSWSA-N 318.179 3.422 10 10 DGCE CS(=O)(=O)c1cccc(NCc2ccc(Cl)cc2O)c1 2146309136 RHILPLTVDXNVHE-UHFFFAOYSA-N 311.790 3.061 10 10 DGCE CCNCc1cc(F)c(N2CC(SC(C)C)C2)c(F)c1 2153916338 JCUGAMZPALRMLR-UHFFFAOYSA-N 300.418 3.405 10 10 DGCE CC(C)NCc1cc(F)c(N2CCSC[C@H]2C)c(F)c1 70220622 VTWIYDNDOAGTTC-LLVKDONJSA-N 300.418 3.405 10 10 DGCE CN1CCC[C@@H]2[C@H]1CCN2Cc1cc(Cl)cc(Cl)c1O 720464998 IJVLDMBTRCCHGF-ZIAGYGMSSA-N 315.244 3.368 10 10 DGCE CNC(=O)c1cc(C2CCC2)nn1[C@H](C)c1cc(C)ccc1O 2070050547 RKIAMGQURBCAON-GFCCVEGCSA-N 313.401 3.134 10 10 DGCE CCOC(=O)c1cnn(Cc2cc(Cl)ccc2O)c1Cl 2070389434 OBVNRJRNBFWFRQ-UHFFFAOYSA-N 315.156 3.121 10 10 DGCE Oc1ccc(Br)cc1CN1CCCC[C@H](F)C1 1203635963 LEDMSPYGZHSIGD-LBPRGKRZSA-N 302.187 3.479 10 10 DGCE Cc1cccc(O)c1Cn1nc(C(C)C)c(CN)c1C(F)F 2079015592 XFIQSYPBPSZCQM-UHFFFAOYSA-N 309.360 3.465 10 10 DGCE CN(c1ccc(CN)c(F)c1)[C@H]1CS[C@H](C(F)(F)F)C1 2189456014 ZCIVKNHNETVRFN-PWSUYJOCSA-N 308.344 3.157 10 10 DGCE C[C@@H]1OCC[C@H]1CN(C)Cc1cccc(Br)c1O 2057467048 BAIHRTBJPFTIGI-QWRGUYRKSA-N 314.223 3.012 10 10 DGCE CO[C@@H]1CC[C@@H](N(C)Cc2cc(Br)ccc2O)C1 2067111062 BMEMCLOYNFRJMB-CHWSQXEVSA-N 314.223 3.154 10 10 DGCE CN(C[C@H](O)c1ccc(Br)cc1)c1ccc(N)cc1 2113399889 LJTFVKRVLCVNJE-HNNXBMFYSA-N 321.218 3.201 10 10 DGCE CN[C@@H](C)c1ccc(N2CC[C@@H](OC(F)F)C2)c(Cl)c1 2239199260 YRQNCOMIPIBBTJ-GXSJLCMTSA-N 304.768 3.438 10 10 DGCE CSc1ncc(CN=c2cc(C3CC3)nc(Cl)[nH]2)s1 2269286567 YGBDRGGMPUGQJH-UHFFFAOYSA-N 312.851 3.220 10 10 DGCE CCCC1=NN(c2ccccn2)C(=O)C1=Cc1ccc(O)c(O)c1 2332094600 XLSSUKVFIAKBRK-UHFFFAOYSA-N 323.352 3.079 10 10 DGCE NC[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cc(Cl)cc(Cl)c1O 2330483566 BVDNGGDSDLKCKZ-KDDOJWQBSA-N 301.217 3.011 10 10 DGCE CC[C@H]1SC(=S)N(CCCC(=O)Nc2ccccc2)C1=O 11636239 PJRGFHGBEIRULS-GFCCVEGCSA-N 322.455 3.044 10 10 DGCE O=C(Nc1ccc(O)cc1C(=O)O)c1ccc(Cl)cc1F 48847000 TULVEXSAPAMOHA-UHFFFAOYSA-N 309.680 3.135 10 10 DGCE CC[C@@]1(C)CN(CC2CCNCC2)c2ccc(OC)cc2N1 76931126 QJRAJDNQQGOYMP-SFHVURJKSA-N 303.450 3.095 10 10 DGCE Cc1ccc(O)c([C@@H](C)NCCCNC(=O)OC(C)(C)C)c1 185340466 JFAKPOMXZHZKFD-CYBMUJFWSA-N 308.422 3.266 10 10 DGCE C[C@H](N[C@H]1Cc2ccccc2[C@@H]1O)c1cc(Cl)ccc1O 185465858 RNLSVBIIMRVJFK-QXKQMHMISA-N 303.789 3.355 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]2c2ccn[nH]2)c1O 286123943 MGXBVVUDILYEPX-OAHLLOKOSA-N 319.792 3.308 10 10 DGCE CO[C@@H]1CCCC[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1 293419927 IRBWHQKHKYEOHN-ZWKOTPCHSA-N 316.445 3.108 10 10 DGCE CO[C@@H]1CCN(Cc2cc(Cl)c(F)cc2O)CC1(C)C 294934994 GOJVUGFZHQEOIW-CQSZACIVSA-N 301.789 3.432 10 10 DGCE C[C@@H]1OCCN([C@H](C)c2cc(Br)ccc2O)[C@@H]1C 380589587 NVYUTNZFTAUYKT-MXWKQRLJSA-N 314.223 3.325 10 10 DGCE C[C@H]1CN(c2ccc(OC(F)(F)F)c(Cl)c2)CC[C@H]1N 401286172 OGKDQWJJJUILPZ-GZMMTYOYSA-N 308.731 3.412 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccc(C(F)F)cc1 588470457 AUXIAHNNRWJUDD-YWEYNIOJSA-N 319.307 3.365 10 10 DGCE CC[C@@H](N)CN1C[C@](C)(C(C)C)Nc2cc(OC)c(OC)cc21 606610978 XMWOEMOMMUUVJV-FZKQIMNGSA-N 321.465 3.088 10 10 DGCE C[C@@H](O)c1ccc(N2CCO[C@@H](C(F)F)CC2)c(Cl)c1 687553757 OVZDCLVVGSPWSC-NOZJJQNGSA-N 305.752 3.254 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)c1csc(Br)c1 691685317 JIVULLZBEDQGCN-QMMMGPOBSA-N 315.196 3.426 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)N(C)Cc1cc[nH]n1 732660662 FTSKBJAXZFQQJW-UHFFFAOYSA-N 314.414 3.151 10 10 DGCE COc1ccc(N2CCCN(CCC(=O)C(C)(C)C)CC2)cc1 753705035 KATLOIODKDVUNF-UHFFFAOYSA-N 318.461 3.213 10 10 DGCE C[C@H](CN[C@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccncc1 756633239 GUYPLBAMPLLNGJ-VXGBXAGGSA-N 301.346 3.150 10 10 DGCE COc1ccc(O)c([C@H](C)NCCC[C@H]2CCCC[C@H]2O)c1 756761998 WOFLTMWNVILBSH-JJRVBVJISA-N 307.434 3.383 10 10 DGCE COc1c([N+](=O)[O-])ccc(CN2C[C@H](C)C[C@H](C)[C@H]2C)c1O 775111277 OAJYHSDIPFSPFN-GRYCIOLGSA-N 308.378 3.175 10 10 DGCE CC[C@H](N[C@H](CCOC)COC)c1cc(Cl)ccc1O 810257702 TZSPATLJGTYNGQ-OCCSQVGLSA-N 301.814 3.138 10 10 DGCE C/C(=C/c1cccnc1)C(=O)N1C[C@H](N(C)C)Cc2ccccc21 846864818 DXNFXYFQQPGZMQ-VHUCWBOISA-N 321.424 3.004 10 10 DGCE CCc1cccc(CN[C@@H]2CCOC3(CCSCC3)C2)c1O 848899492 OZLKSUXDUMISOK-MRXNPFEDSA-N 321.486 3.489 10 10 DGCE Oc1c(Cl)cccc1CN[C@@H]1CNCC[C@@H]1c1ccccc1 849349872 MMKSGCQKYUCFIF-NVXWUHKLSA-N 316.832 3.281 10 10 DGCE COc1ccc(N2CC[C@H](CNC3CC(CF)(CF)C3)C2)cc1 850475343 ZILUFFSZZSEZOR-CQSZACIVSA-N 324.415 3.199 10 10 DGCE Cc1cc(N(C)C)ccc1CN1CC(CC2CCOCC2)C1 895615295 LTIUZKSWVRVBFC-UHFFFAOYSA-N 302.462 3.310 10 10 DGCE O=C(NCCCSc1nccs1)NCCC1CC=CC1 921447815 UIPZXCNBOIEUIW-UHFFFAOYSA-N 311.476 3.281 10 10 DGCE C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1Cl 1141417803 HPXFHNVHXOTVJC-JTQLQIEISA-N 305.761 3.171 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H](C2CCCCC2)C1 1301408888 YTPPMLJKNQIOKL-MRXNPFEDSA-N 317.429 3.459 10 10 DGCE CN(Cc1ccccc1O)c1nccc2c([N+](=O)[O-])cccc12 1307073163 QROUOLHOMIUTSD-UHFFFAOYSA-N 309.325 3.485 10 10 DGCE Cc1cccc(-n2c(C)cc(C(=O)N3CC[C@@]34CCOC4)c2C)c1 1327611864 PFHRCWGNGWWLEA-FQEVSTJZSA-N 324.424 3.408 10 10 DGCE CCOC(=O)C1(NCc2ccc(N(C)CC)cc2)CCCCC1 1459700831 KFEKOPDCPJCTDN-UHFFFAOYSA-N 318.461 3.498 10 10 DGCE C[C@H](NC(=O)NCc1cccc2cc[nH]c12)c1ccccc1O 1469802683 SWCCJMYOCMNLLY-LBPRGKRZSA-N 309.369 3.434 10 10 DGCE COc1ccc(SCC(=O)N[C@H](C)c2ccccc2O)cc1 1557966821 QOXCZWOTOVBHJT-GFCCVEGCSA-N 317.410 3.370 10 10 DGCE CC[C@@H](C)[C@@H](O)CNC(=O)c1ccc(-n2c(C)ccc2C)cc1 1629989652 CLEHKYDGJZENAF-ACJLOTCBSA-N 314.429 3.231 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)c2ccc3cnccc3c2)c1 1631541848 BEOBWJLVQOASIL-GFCCVEGCSA-N 322.364 3.440 10 10 DGCE O=C(c1cc2cc(O)c(O)cc2s1)N1Cc2ccccc2C1 1632633346 ZIIANVUBOJYINP-UHFFFAOYSA-N 311.362 3.469 10 10 DGCE Cc1cscc1CNC(=O)c1ccc(N=NC(N)=O)cc1 1634536056 YRPBNMMHFTVKEC-UHFFFAOYSA-N 302.359 3.149 10 10 DGCE C[C@H](Oc1cccc(F)c1)C(=O)NCc1cccc(Cl)c1O 1640402354 RCFBHEDLSNIANW-JTQLQIEISA-N 323.751 3.268 10 10 DGCE O=C(c1cnnc(-c2ccccc2)c1)N1Cc2cccc(O)c2C1 1643170188 YJGZDUOJLDACSL-UHFFFAOYSA-N 317.348 3.005 10 10 DGCE O=C(/C=C\c1ccc2ccccc2n1)NCc1c(O)cccc1F 1646029237 SNEMGBPANIKXBM-KHPPLWFESA-N 322.339 3.409 10 10 DGCE CN(Cc1ccccc1O)Cc1c(N)cccc1Br 1877516901 AWFZNIMVKHGABI-UHFFFAOYSA-N 321.218 3.369 10 10 DGCE CC(C)(C)OC(=O)NCCCSCCc1ccc(N)cc1 1891090732 PNYKANKPAQHBDE-UHFFFAOYSA-N 310.463 3.459 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN(Cc2ccncc2Br)C1 1912146303 QTAFBZLXKVEPNV-SNVBAGLBSA-N 310.199 3.366 10 10 DGCE NC1(c2c(O)c(Cl)cc(Cl)c2Cl)CCC(O)CC1 1952384498 GHQBHLDOXWNWDR-UHFFFAOYSA-N 310.608 3.441 10 10 DGCE Cc1ccc([C@H](C)N[C@@H]2CCCC3(CC2)OCCO3)c(O)c1 1967523699 ONEYUVPWSNYRIB-LSDHHAIUSA-N 305.418 3.427 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](Nc3ccc(N)cc3)CC[C@H]2C1 1977677919 IICHHJGJKPVJBP-MAZHCROVSA-N 317.433 3.326 10 10 DGCE CCCN(C[C@H](O)c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C 1977937518 CGOKLDZJXYHFQL-INIZCTEOSA-N 322.449 3.433 10 10 DGCE CC[C@H](NC(=O)OC(C)(C)C)[C@](C)(O)c1ccc(N(C)C)cc1 1977958101 KXWHGPNFGYISET-MAUKXSAKSA-N 322.449 3.263 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1N[C@@H]1CCc2cccc(O)c21 1986712945 OYIWFQGSNCXAPF-MGPQQGTHSA-N 318.417 3.025 10 10 DGCE CN[C@H](c1ccc(N(C)C)cc1)c1cnn(Cc2ccccc2)c1 2000320720 OCADCNMMCRRUMG-HXUWFJFHSA-N 320.440 3.306 10 10 DGCE C[C@H](N)c1ccc(N2CC(C)(CF)C2)c(Br)c1 2008692009 NAUKLOQVCBGFRG-VIFPVBQESA-N 301.203 3.265 10 10 DGCE N[C@@H](c1ccccc1O)[C@H](O)c1cc(Cl)c(Cl)s1 2037473523 UJGFROOOQLNGQM-WDEREUQCSA-N 304.198 3.494 10 10 DGCE CSc1cnn(Cc2c(C)cccc2O)c1Br 2070247533 BGZKHMSNOMVLLJ-UHFFFAOYSA-N 313.220 3.430 10 10 DGCE CNCc1cnc(Sc2ccc(C(F)(F)F)cn2)s1 2099106346 YFYGRXVRAPXTRX-UHFFFAOYSA-N 305.350 3.428 10 10 DGCE CC[C@@H](C)C[C@@](CO)(CSc1nccs1)NC1CC1 2142625569 YYQQIYDNGOWYFW-BXUZGUMPSA-N 300.493 3.155 10 10 DGCE CC[C@@H]1CCOC[C@@H]1N(C)c1cc(Cl)c(CN)cc1F 2177379025 WOULOZHSPVCHGG-BMIGLBTASA-N 300.805 3.189 10 10 DGCE Oc1cccc2c1[C@H](N[C@@H]1CS[C@H](C(F)(F)F)C1)CC2 2189224803 VCKXLEKFDHVDTQ-UMNHJUIQSA-N 303.349 3.406 10 10 DGCE C[C@@H](CCO)N(Cc1ccccc1)c1ccc2c(c1)OCCO2 2210885483 IXGYWVGEPSABBY-HNNXBMFYSA-N 313.397 3.235 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@@H]1C[C@H]2CC[C@@H]1O2 2296840027 QOLXIBQSFYSPBG-KDDOJWQBSA-N 302.201 3.356 10 10 DGCE O=C(C=Cc1cccnc1)N1CCCc2cc(F)cc(F)c21 2297357721 NYCYIBAMVLRBOV-UHFFFAOYSA-N 300.308 3.352 10 10 DGCE Cc1cc(C)c2c(c1)CN(C(=O)C=Cc1ccc(O)c(O)c1)CC2 2310140139 NDHOYMOBPGEAIU-UHFFFAOYSA-N 323.392 3.313 10 10 DGCE CCC[C@](C)(O)CNCc1ccc(C)c(Br)c1O 2327623898 MGYYKHLSVMTGKL-AWEZNQCLSA-N 316.239 3.104 10 10 DGCE COc1ccc(N2CCN(C(=O)[C@H](C)C3CCCC3)CC2)cc1 41334783 AAYORXZPSLKSBI-OAHLLOKOSA-N 316.445 3.170 10 10 DGCE Cc1cccc(CSCC(=O)N(C)c2ccc(N)cc2)c1 54965373 ATJXTZVXMVNUGR-UHFFFAOYSA-N 300.427 3.473 10 10 DGCE CN(CCC(F)(F)F)c1c(F)cc(/C=C/C(=O)O)cc1F 88432858 BLYGZFPJZOUXLL-NSCUHMNNSA-N 309.234 3.451 10 10 DGCE CCc1onc(C)c1NC(=O)c1c(C)oc(-n2cccc2)c1C#N 89393486 FDASDKSNQKRQGX-UHFFFAOYSA-N 324.340 3.362 10 10 DGCE O=C(O)c1cccc(/N=N/c2c(C(F)(F)F)n[nH]c2O)c1 106388385 LTYUTHKNCVHHIG-FOCLMDBBSA-N 300.196 3.248 10 10 DGCE O=C(/C=C/c1ccc(N2CCOCC2)cc1)Oc1ccccc1 108669850 UVFAHKZQGIGWSC-DHZHZOJOSA-N 309.365 3.142 10 10 DGCE Cn1cc([C@@H]2CCN(Cc3c(O)ccc4ccccc34)C2)cn1 116257585 BMIAGMRISVSWAU-OAHLLOKOSA-N 307.397 3.268 10 10 DGCE C[C@H](N[C@@H](C)c1ccccc1O)c1ccc(-n2cncn2)cc1 153959185 CNTPUJJWZPERGC-KBPBESRZSA-N 308.385 3.385 10 10 DGCE CCc1nc2n(n1)CCC[C@H]2N[C@H](CC)c1ccccc1O 156315187 LPFBPTBDZMYJOP-ZIAGYGMSSA-N 300.406 3.122 10 10 DGCE CC[C@@H](C)N(CCOC)c1ccc(CN)cc1C(F)(F)F 163701244 FDUMIJJDCRULIL-LLVKDONJSA-N 304.356 3.415 10 10 DGCE COCC1CCN(c2ccc(CNC3CC3)cc2Cl)CC1 164092503 NVSBKIQGIJFSOY-UHFFFAOYSA-N 308.853 3.455 10 10 DGCE CN(Cc1ccncc1)c1ccc(/C=C/C(=O)O)cc1Cl 164352664 DOHQAXZSCJJUMV-HWKANZROSA-N 302.761 3.469 10 10 DGCE CN(C(=O)/C=C/c1c(Cl)nc2sccn12)c1cccnc1 172021013 MGTSAAQNWITAFH-SNAWJCMRSA-N 318.789 3.120 10 10 DGCE COc1ccc(NC(=O)c2ccc(C)c(O)c2O)c(Cl)c1 179460129 XTQROWGQGHLRLY-UHFFFAOYSA-N 307.733 3.321 10 10 DGCE CN(Cc1c[nH]c(-c2ccccc2)n1)c1ccc2c(c1)OCO2 180759709 KHVZOSDDNPHBDD-UHFFFAOYSA-N 307.353 3.442 10 10 DGCE CC(C)C[C@@H](C)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 184657186 IZADISYZOYPNCF-MRXNPFEDSA-N 318.461 3.164 10 10 DGCE Cc1nc([C@@H]2CCCN2C(=O)c2ccc(C)c(O)c2O)cs1 190013268 ONEFATXDLHGGAT-ZDUSSCGKSA-N 318.398 3.148 10 10 DGCE C[C@@H](NCc1ccc2c(c1)OCCO2)c1ccc(F)c(F)c1O 191184488 HQIRHYGPODLOMS-SNVBAGLBSA-N 321.323 3.292 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCO[C@@H]2CCC[C@H]21 228143463 JZZSWFVTIMMKTK-CHWSQXEVSA-N 302.201 3.452 10 10 DGCE O=C(NCc1ccc(N2CCCC2)cc1)c1csc(Cl)n1 275511540 XMHSUTNLDVQYSW-UHFFFAOYSA-N 321.833 3.327 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@](C)(CNCc2ccccc2O)C1 281789214 XPTDCYYNPBLEAC-GOSISDBHSA-N 320.433 3.129 10 10 DGCE CCOCc1nc([C@@H](C)N[C@H](C)c2cc(C)ccc2O)no1 290113711 IWZZQKZJWYZALU-VXGBXAGGSA-N 305.378 3.032 10 10 DGCE CC(C)(CO)[C@H](NCc1cc(Cl)c(F)cc1O)C1CC1 294039505 WEZGXBYELONMEP-CQSZACIVSA-N 301.789 3.071 10 10 DGCE CC[C@@H](C)N(CCO)c1ccc([C@@H](C)N)cc1Br 310632435 NYAHVBNAFSILHQ-GHMZBOCLSA-N 315.255 3.066 10 10 DGCE C[C@H]1CCC[C@H](C)N1NCc1c(O)cccc1Br 706863822 OONXJJRROABVHB-QWRGUYRKSA-N 313.239 3.422 10 10 DGCE CC[C@H](NCc1cc(Br)no1)c1ccccc1O 718882180 QJVXOWUJIANYRA-NSHDSACASA-N 311.179 3.384 10 10 DGCE C[C@@H](NCc1cc(Br)no1)c1cc(F)ccc1O 718886260 LCKBZSNWJBYKIS-SSDOTTSWSA-N 315.142 3.133 10 10 DGCE COc1ccc(OC)c(CN(C)c2ccc3c(c2)OCO3)c1 756654623 KFYCGHRXXIJXOS-UHFFFAOYSA-N 301.342 3.069 10 10 DGCE Cc1ccc([C@@H](C)Nc2cccc([C@@H]3CNC(=O)C3)c2)c(O)c1 757619053 KDWPHTDXSDTKBX-HIFRSBDPSA-N 310.397 3.477 10 10 DGCE Cc1cc(Cl)cc(CN2CCC[C@H]2C(=O)OC(C)C)c1O 775711415 YULZKSGLTXSPJH-AWEZNQCLSA-N 311.809 3.270 10 10 DGCE C[C@@H]1CCN(C(=O)NCCCSc2nccs2)C[C@H]1F 779363495 FVLMQYWLFXSTHW-GHMZBOCLSA-N 317.455 3.015 10 10 DGCE CO[C@H](CNCc1cc(C)cc(Br)c1O)C(C)C 781632118 HCUPSBXBHBRAGW-CYBMUJFWSA-N 316.239 3.224 10 10 DGCE COc1cc(Cl)cc(CNC[C@H]2C(C)(C)C2(F)F)c1O 827515449 HVBYKTYMDAICIW-NSHDSACASA-N 305.752 3.435 10 10 DGCE CC(C)[C@H](O)[C@@H](NCc1cc(F)ccc1O)c1ccccc1 827525901 CQMLVQOSPJVYHX-ROUUACIJSA-N 303.377 3.379 10 10 DGCE C[C@H](NC/C=C/c1ccc(N(C)C)cc1)C(=O)Nc1ccccc1 835040385 OWCRUTFBDFXWAJ-WAVCKPEOSA-N 323.440 3.383 10 10 DGCE CCOc1ccc(O)c(CN[C@@H](C(C)C)C2(CO)CCCC2)c1 835065278 GWUBBMHHKNCACK-SFHVURJKSA-N 321.461 3.458 10 10 DGCE C[C@H](F)CCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 838619941 PWNMAJYDDJRKSV-ZDUSSCGKSA-N 307.413 3.175 10 10 DGCE C[C@H](CCC(F)(F)F)NC[C@@H](N)c1ccc(N(C)C)cc1 841044980 HEKMDTAZKHJNJD-BXUZGUMPSA-N 303.372 3.073 10 10 DGCE CCOC(=O)CC(C)(C)CN[C@@H](C)c1cc(OC)ccc1O 845972518 RDQLATSCUWKYAI-LBPRGKRZSA-N 309.406 3.031 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CCC(C(C)=O)CC2)c1O 846949884 GELZYBDRHVMLGZ-UHFFFAOYSA-N 309.793 3.049 10 10 DGCE Cc1cc(Cl)cc(CN[C@@H]2CCCN3CCCC[C@H]23)c1O 848928012 UCLPATMISMCRMO-HZPDHXFCSA-N 308.853 3.461 10 10 DGCE CC[C@@H](NCCc1cncc(C)n1)c1cc(Cl)ccc1O 850549605 HNYWEWQTIJQFEE-OAHLLOKOSA-N 305.809 3.427 10 10 DGCE C[C@@H](NC[C@@H]1CCN1C1CCCC1)c1ccc(N(C)C)cc1 858532280 IMPHVWVDEOOLFM-BEFAXECRSA-N 301.478 3.420 10 10 DGCE CSCCCCCCC(=O)NCCc1ccc(O)c(O)c1 860234353 FDJRANRBQTXZRT-UHFFFAOYSA-N 311.447 3.070 10 10 DGCE COc1ccc(N2CC[C@H](N[C@H]3CCCc4ncccc43)C2)cc1 866384948 GUUFUQHVTKBLLX-YWZLYKJASA-N 323.440 3.336 10 10 DGCE C[C@H](NC(=O)N[C@H]1C[C@H](OC(C)(C)C)C1)c1ccccc1O 868752253 NSGHGJPOYNORGZ-AVGNSLFASA-N 306.406 3.099 10 10 DGCE O=C(NCc1c(O)cccc1F)Nc1cnn(C2CCCC2)c1 925880981 OXVODAAARRDRMB-UHFFFAOYSA-N 318.352 3.165 10 10 DGCE O=C(NCc1c(O)cccc1F)[C@H]1CC[C@@H](C(F)(F)F)C1 928708724 RQXOXUYFZCLQBN-DTWKUNHWSA-N 305.271 3.126 10 10 DGCE O=C(CC[C@H]1CC1(Cl)Cl)NCc1c(O)cccc1F 928709760 FRDQBDSTNOPFHR-QMMMGPOBSA-N 306.164 3.122 10 10 DGCE c1cc(N2CCCC2)ccc1CN1CCCC[C@@H]1[C@H]1CCNC1 1118016081 TURIBAFLHHTUCO-AZUAARDMSA-N 313.489 3.251 10 10 DGCE O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@H]1C(F)F 1123473618 SQLXDAPHKWQKGW-HNNXBMFYSA-N 321.371 3.002 10 10 DGCE C[C@H]1Oc2ccccc2[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 1160570213 BBZRGCJRKILECP-BMIGLBTASA-N 324.340 3.101 10 10 DGCE CC(C)Oc1ccc(C(=O)NCc2cccc(Cl)c2O)nc1 1180409925 JLBNEXFTDASKDL-UHFFFAOYSA-N 320.776 3.158 10 10 DGCE O=C(NCc1cccc(Cl)c1O)NCC1(C2CC2)CCC1 1224669967 GEZGRQQUDRLZJO-UHFFFAOYSA-N 308.809 3.425 10 10 DGCE O=C(NCC1(C2CC2)CC1)c1cc2cc(O)c(O)cc2s1 1262155358 JCDKLJWFLYGWLH-UHFFFAOYSA-N 303.383 3.233 10 10 DGCE Cc1nc2ccc(O)cc2cc1C(=O)N(C)Cc1ccccc1O 1445644043 FOKLJLQDHAJHLO-UHFFFAOYSA-N 322.364 3.227 10 10 DGCE CCN1C[C@H](C)N(Cc2cc(Cl)cc(C(C)=O)c2O)C[C@H]1C 1459872893 IJZZIMXNXGNTCS-NEPJUHHUSA-N 324.852 3.163 10 10 DGCE COc1ccc2c(c1)CCCCN2Cc1cc(Cl)n(C)n1 1473290384 YJLJSJDDWKEGQT-UHFFFAOYSA-N 305.809 3.425 10 10 DGCE Cc1ccc(/C=C/C(=O)NCc2c(O)ccc3c2CCCC3)cn1 1631439067 UBNLCSVXYATDSZ-DHZHZOJOSA-N 322.408 3.304 10 10 DGCE CC[C@@H]1CCCC[C@@H]1OCC(=O)NCc1c(O)cccc1F 1635361154 YDANCAUJDKDJGP-WBMJQRKESA-N 309.381 3.133 10 10 DGCE C[C@H](N[C@@H](C)c1ccccc1O)c1nc(-c2cccnc2)no1 1648054288 TUGPMXJSURWFLU-RYUDHWBXSA-N 310.357 3.249 10 10 DGCE C[C@H](N)c1ccc(N2CC(N(C)Cc3ccccc3)C2)c(F)c1 1914195244 JUTCJKNKOCUWFU-AWEZNQCLSA-N 313.420 3.166 10 10 DGCE C[C@@H](N)c1ccc(N2CC3(C2)CC3(F)F)cc1Br 1914967788 CSPLBEQPGIUFQE-MRVPVSSYSA-N 317.177 3.314 10 10 DGCE COC[C@@H]1CC[C@@H](NCc2cc(Br)ccc2O)C1 1918701507 OQTWXGVSUIYVRU-ZWNOBZJWSA-N 314.223 3.059 10 10 DGCE CCN[C@H](c1ccccc1O)c1sncc1Br 1942401310 RODSTXQEDMAUQS-LLVKDONJSA-N 313.220 3.310 10 10 DGCE CC[C@@H]1CC[C@](N)(c2ccccc2O)CN1C(=O)OC(C)(C)C 1975985807 OGIKNDICURAGNZ-FZKQIMNGSA-N 320.433 3.356 10 10 DGCE CCCC1(NCc2ccccc2O)CN(C(=O)OC(C)(C)C)C1 1988829472 VRDCBCDCKDNVFA-UHFFFAOYSA-N 320.433 3.271 10 10 DGCE CN(CC1[C@@H]2CCC[C@@H]12)c1ccc(CN)cc1Br 2032801128 KAAPNJUAVUMHMN-VXGBXAGGSA-N 309.251 3.390 10 10 DGCE Cc1nc([C@H](O)Cc2ccc(N)cc2)ccc1Br 2039299619 DDEMOVNURRUFCF-CQSZACIVSA-N 307.191 3.011 10 10 DGCE CCOC(=O)c1cc(CC)nn1[C@H](C)c1ccc(C)cc1O 2069882651 SADNOFVBZCHDGL-GFCCVEGCSA-N 302.374 3.246 10 10 DGCE CN(Cc1cc(Cl)cc(Cl)c1O)C[C@@H]1OCC[C@@H]1F 2122536676 FCPXMTSFZKOVEQ-RYUDHWBXSA-N 308.180 3.258 10 10 DGCE CC(C)[C@](CCCSc1nccs1)(NC1CC1)C(=O)O 2144118258 CKGROIBVEAJYIK-AWEZNQCLSA-N 314.476 3.247 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2C[C@H](F)C[C@@H](F)C2)c1O 2182568452 ZOGUPSARRYLBGC-VXGBXAGGSA-N 303.736 3.130 10 10 DGCE CCOC(=O)c1cnc(Sc2cc(N)ccc2OC)s1 2182631753 ZIGZOWMCZNSSIG-UHFFFAOYSA-N 310.400 3.062 10 10 DGCE CN[C@H](C)c1ccc(N2CCSCC(F)(F)C2)c(C)c1 2240831074 RKJQDOJUYDEAAU-GFCCVEGCSA-N 300.418 3.464 10 10 DGCE CSc1ncc(CNC(=O)c2cc(F)ccc2F)s1 2269316925 GGOXJLCUCGXYOO-UHFFFAOYSA-N 300.355 3.073 10 10 DGCE Oc1c(Br)cccc1CNc1ccc2ccnn2c1 2271506367 QTNCYZKELWLXNA-UHFFFAOYSA-N 318.174 3.415 10 10 DGCE COCCN(CCOC)N=Nc1cc(C)c(Cl)cc1OC 2330193633 ODZTWGRMENHKMI-UHFFFAOYSA-N 315.801 3.251 10 10 DGCE C[C@]12C[C@H](C1)[C@H](NCc1cc(Cl)cc(Cl)c1O)CO2 2337747892 ODBIDSYBRPISRU-IUPBHXKESA-N 302.201 3.356 10 10 DGCE NC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(O)cc1)N2 13636722 BREQWFTZQOFGJT-MPGHIAIKSA-N 306.365 3.318 10 10 DGCE CC[C@@H]1CNC(C)(C)CN1c1cc(Cl)c(OC)cc1OC 86220366 KQUGFDGHUFZHME-LLVKDONJSA-N 312.841 3.324 10 10 DGCE COc1cc(NCc2cccc(OC)c2O)c([N+](=O)[O-])cc1F 91479274 OWQHFBHFJOASAZ-UHFFFAOYSA-N 322.292 3.069 10 10 DGCE COc1ccc(CN2C[C@H](C)O[C@@H](c3ccccc3)C2)c(O)c1 92486657 MNAUQXHQTDWEFQ-IFXJQAMLSA-N 313.397 3.363 10 10 DGCE CN(C)c1ccc(/C=C\c2n[nH]c(-c3ccccc3O)n2)cc1 103908901 BDUNEPAPYGLHOG-XFXZXTDPSA-N 306.369 3.414 10 10 DGCE C[C@H]1CC[C@H](C)N(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 173291356 NZUDCZYZBHJJPG-HOTGVXAUSA-N 313.445 3.393 10 10 DGCE Cc1cc(C)cc(/C=C/C(=O)NCCc2ccc(O)c(O)c2)c1 181661265 CBANLVXIDUHMAG-GQCTYLIASA-N 311.381 3.087 10 10 DGCE COC(=O)[C@H]1CC[C@@H](N[C@H](C)c2cc3c(cc2O)CCCC3)C1 193876617 FRAPMVIJWHZPEC-UHOFOFEASA-N 317.429 3.263 10 10 DGCE CC[C@H]1CCCCN1c1cc2c(cc1Cl)[C@@H](NC)C(=O)N2 221190044 UGJOYSYUFPNDAN-ZUZCIYMTSA-N 307.825 3.322 10 10 DGCE Cc1cc(NS(=O)(=O)CCCC(F)(F)F)c(C)cc1O 235789457 YYOYXSPMBVULFA-UHFFFAOYSA-N 311.325 3.093 10 10 DGCE CCOc1ccc(O)c(CNC(CC)(CC)CC(=O)OC)c1 267223924 DNFPIDHFAOAXEO-UHFFFAOYSA-N 309.406 3.002 10 10 DGCE CN(C)c1ccc(CNCCc2cccc(C(F)(F)F)n2)cc1 293010662 PREQQINGMQWFAF-UHFFFAOYSA-N 323.362 3.499 10 10 DGCE Brc1cc(N2C[C@@H]3C[C@H]3C2)ccc1CNC1CC1 379547645 HIVRAITVQKFZPV-RYUDHWBXSA-N 307.235 3.157 10 10 DGCE C[C@H]1CCSCCN1c1ccc(CN)cc1C(F)(F)F 385490736 FGAQPGJXZUPQPV-JTQLQIEISA-N 304.381 3.496 10 10 DGCE C[C@@H](NCC(C)(C)C(=O)N1CCCC1)c1cc(Cl)ccc1O 528016293 RCBQSKPZZLNJRT-GFCCVEGCSA-N 324.852 3.345 10 10 DGCE CC[C@H]1C[C@@H](N(C)Cc2ccc(Br)cc2O)CO1 691684967 XFZRHBVXQCRKPX-OLZOCXBDSA-N 314.223 3.154 10 10 DGCE CN(C)c1ncccc1NCc1c(O)cccc1Br 706857794 DDZHSNNKPMHMOT-UHFFFAOYSA-N 322.206 3.228 10 10 DGCE Oc1c(Cl)cccc1CNCC1CN(Cc2ccccc2)C1 716266216 AAVANWOHEUVDSL-UHFFFAOYSA-N 316.832 3.267 10 10 DGCE COC(=O)/C=C/c1ccc(N2CC[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 756141829 ZAULWCNYPQQALG-HZRUHFOJSA-N 318.373 3.263 10 10 DGCE Cc1cc(Br)cc(CN[C@@H]2CSC2(C)C)c1O 802660950 AJSWTJFXURCXER-LLVKDONJSA-N 316.264 3.447 10 10 DGCE CCOc1ccc(CN2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c(O)c1 824695987 GAICKJIQYSVATA-RCCFBDPRSA-N 319.445 3.306 10 10 DGCE COCC[C@@H](C)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C 825178574 MXZPHFQJSSOSEE-CQSZACIVSA-N 314.429 3.178 10 10 DGCE CN(C)c1ccc(/C=C\CNC[C@@H](O)c2ccsc2)cc1 835041360 WYWOHIYTPQSETC-CWIOURORSA-N 302.443 3.151 10 10 DGCE FC1(F)CC(CCNCc2ccc(N3CCOCC3)cc2)C1 835059846 FGYUUMIWERZMSX-UHFFFAOYSA-N 310.388 3.048 10 10 DGCE COc1ccc(N(C)CCN(C)Cc2ccc(C)nc2C)cc1 844400901 GNCCSQHPKIZJHF-UHFFFAOYSA-N 313.445 3.275 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)NCC1(COC)CC1 847422435 CCUNVEHJLQORBX-UHFFFAOYSA-N 320.433 3.131 10 10 DGCE CN(C)c1ccc(CN[C@H]2C[C@H](O)c3ccccc32)cc1F 850372651 XBUJPBXSRKYKAE-WMZOPIPTSA-N 300.377 3.160 10 10 DGCE O=C(NCc1ccc(N2CCCC2)cc1)N1C[C@H]2CC[C@@H](C2)C1 851986674 DUPLQBWUGMUFIT-IRXDYDNUSA-N 313.445 3.228 10 10 DGCE CC(C)(C)c1cc(O)c(O)c(CN2C[C@@]3(C)COC[C@@]3(C)C2)c1 853543695 HQFYZBCIXLNIHV-KDURUIRLSA-N 319.445 3.254 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)C(C)(C)C(C)C)C2)cc1 855228220 XTQAQEAIGPYPMP-CQSZACIVSA-N 304.434 3.072 10 10 DGCE Cc1ccc(O)c(CNC(=O)NCC(C)(C)[C@H]2CCCCO2)c1 858295839 JYWWGOVKAQCELS-MRXNPFEDSA-N 320.433 3.095 10 10 DGCE C[C@H](NC(=O)NC[C@@]1(C)CC1(Cl)Cl)c1ccccc1O 868669534 YYRBSDZKAIHXLO-TVQRCGJNSA-N 317.216 3.336 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCO[C@H](C(F)F)CC2)cc1 872253704 DVPSGKNWVYIACI-QGZUEGPWSA-N 310.388 3.122 10 10 DGCE CC(C)(C)OC(=O)N1CCC(NCc2c(O)cccc2F)CC1 896638934 ZJEFNFCSCZDGKU-UHFFFAOYSA-N 324.396 3.020 10 10 DGCE COc1ccc(O)c([C@@H](C)N[C@@H](CO)CCc2ccccc2)c1 903293142 PRMHZOZGQKKFBB-GDBMZVCRSA-N 315.413 3.045 10 10 DGCE CCOc1ccc(O)c(CN[C@@H](C(=O)O)c2cccc(C)c2)c1 904262529 HWNNZJPLWLDURP-QGZVFWFLSA-N 315.369 3.015 10 10 DGCE CN(C)c1ccc(/C=C/CNCc2ccc3c(c2)ncn3C)cc1 922482581 TYZMZLIKSDJSSV-SNAWJCMRSA-N 320.440 3.442 10 10 DGCE Cc1cc(CC(=O)NCc2ccccn2)c(C)n1-c1ccccc1 1135403370 PKOGHZWSXRMXPC-UHFFFAOYSA-N 319.408 3.348 10 10 DGCE CC[C@@H](C(=O)NCc1cc(C)n(-c2ccccc2)c1C)N(C)C 1151152815 DVIYNKBBQAUHNK-SFHVURJKSA-N 313.445 3.051 10 10 DGCE c1cc(N2CCCCC2)ccc1CN[C@H]1CCC2(C1)OCCO2 1178336623 MDHQOFOCYWDYIQ-KRWDZBQOSA-N 316.445 3.062 10 10 DGCE Cc1cc(C)cc(-n2c(C)cc(C(=O)Nc3cnnn3C)c2C)c1 1304100266 NIIVCTKGSJJDOL-UHFFFAOYSA-N 323.400 3.092 10 10 DGCE Cc1cccc(F)c1C(=O)Nc1cccc(N2CCOCC2)c1 1323870537 NSTUYHTUDLRSLE-UHFFFAOYSA-N 314.360 3.223 10 10 DGCE c1cc(N2CCCC2)ccc1CNC[C@H]1CC[C@@H](C2CC2)O1 1355362022 IFOBRMQTVAKSHM-MOPGFXCFSA-N 300.446 3.334 10 10 DGCE CC[C@@H]1CCCC[C@@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1 1450416431 ULCMPXCTXFXOEE-QSTFCLMHSA-N 303.402 3.444 10 10 DGCE Cc1cc(CNC(=O)c2ccc(O)nc2)c(C)n1-c1ccccc1 1471018519 UCPZVRUTPLKJGY-UHFFFAOYSA-N 321.380 3.125 10 10 DGCE O=C(c1cccc(O)c1O)N(Cc1ccccc1F)C1CCC1 1545734832 AIJLDXSTTZKEAX-UHFFFAOYSA-N 315.344 3.432 10 10 DGCE Cc1ccc(O)c(CNC(=O)NC[C@H]2C[C@H]2Cc2ccccc2)c1 1565473622 LJXOFRLURLZDRP-IAGOWNOFSA-N 324.424 3.379 10 10 DGCE CCCCC[C@@H](O)C(=O)N(CC)Cc1ccc(N(C)C)cc1 1583569832 VORXYSBHKRSYKW-QGZVFWFLSA-N 306.450 3.042 10 10 DGCE CSc1cc(C)ccc1NC(=O)Cc1ccc(O)c(O)c1 1630133231 SGQJYVWIMPBZGS-UHFFFAOYSA-N 303.383 3.309 10 10 DGCE CCN(C)c1ccc(CN2CC[C@H](O)[C@H]3CCCC[C@H]32)cc1 1655401475 ZQHFDCXONAMVLD-OTWHNJEPSA-N 302.462 3.268 10 10 DGCE COc1ccc(CNCCC[C@H](C)NC(=O)C2(C)CC2)cc1C 1675903707 ODNSXEBYWHJDCQ-HNNXBMFYSA-N 318.461 3.178 10 10 DGCE CC[C@H](CNC(=O)C1=CCCC1)NCc1ccc(OC)c(C)c1 1715052281 OBDLSZDRVJOACL-QGZVFWFLSA-N 316.445 3.098 10 10 DGCE COCCCN(Cc1ccccc1)c1ccc(CO)cc1F 1931946805 KDVYSJGIKYPIQR-UHFFFAOYSA-N 303.377 3.361 10 10 DGCE CC(C)CN(Cc1ccccc1)c1ccc2c(c1)N(C)C(=O)[C@@H]2O 1946741268 KDZYPFFAMNLEBC-LJQANCHMSA-N 324.424 3.359 10 10 DGCE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1Nc1c(N)cccc1F 1959370389 MBSRYAXFEBGCEB-GWCFXTLKSA-N 309.385 3.075 10 10 DGCE C[C@H](C[C@H](O)c1ccc(N(C)C)cc1)N(C)C(=O)OC(C)(C)C 1977939092 NUKGMHMDSDEYTG-CJNGLKHVSA-N 322.449 3.432 10 10 DGCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@H]1CCC[C@H]1N 1978851218 NEONSUJASMWCPN-HZPDHXFCSA-N 319.449 3.027 10 10 DGCE CC(C)(C)OC(=O)NC[C@H]1C[C@@](F)(CNc2ccc(N)cc2)C1 1981293283 DUQGMQICLKQGEW-QASKLWRZSA-N 323.412 3.324 10 10 DGCE C[C@H](O)c1cc(F)c(N(Cc2ccccc2)[C@H](C)CO)c(F)c1 1990401192 STMBLVSOQFVFKW-OLZOCXBDSA-N 321.367 3.406 10 10 DGCE CN1CCc2cc([C@]3(O)CCCN(Cc4ccccc4)C3)ccc21 1999511819 JAYFMJIKWMCMHM-NRFANRHFSA-N 322.452 3.163 10 10 DGCE C[C@@H]1[C@@H](CNCc2cc(Br)cc(F)c2O)C1(F)F 2036008261 ZXFHTZRDUANZND-HZGVNTEJSA-N 324.140 3.285 10 10 DGCE O=C(CCN1CCCc2ccccc21)N1Cc2cccc(O)c2C1 2063191309 HBGIDAHGDLNPFE-UHFFFAOYSA-N 322.408 3.077 10 10 DGCE Nc1cc(C2CCC2)nn1Cc1cccc(Br)c1O 2070144603 LTZXPNCMGWSMNQ-UHFFFAOYSA-N 322.206 3.249 10 10 DGCE CN[C@H](C)c1ccc(N(C)CC2(Br)CC2)cc1O 2076251560 YGRORWDZBVIYDQ-SNVBAGLBSA-N 313.239 3.036 10 10 DGCE CN(Cc1ccc(O)cc1)c1ccc(CO)c(Br)c1 2096571614 UFEKPIHWTRYLEM-UHFFFAOYSA-N 322.202 3.283 10 10 DGCE C[C@@H](O)c1ccc(N2CCn3ncc(Cl)c3C2)c(Cl)c1 2154038916 RCWOLZGWMWAGJR-SECBINFHSA-N 312.200 3.263 10 10 DGCE CP1(=O)CCN(c2ccc(C=CC(=O)O)c(Cl)c2)CC1 2171998832 AVKXLHXZXOBAFB-UHFFFAOYSA-N 313.721 3.251 10 10 DGCE COCC[C@H](COC)N(C)[C@H](C)c1ccc(Cl)cc1O 2203346115 IJEDPVPTUSWXJY-DGCLKSJQSA-N 301.814 3.090 10 10 DGCE Cc1cccc(CNC(=O)c2cc(Cl)c(Cl)n2C)c1O 2204621271 HKTCXUIJIZFXPN-UHFFFAOYSA-N 313.184 3.276 10 10 DGCE COc1ccc(Br)c(CNCC2=CCCC2)c1O 2220463042 VOFLAYPNCQGSSU-UHFFFAOYSA-N 312.207 3.363 10 10 DGCE C[C@H](O)c1ccc(N(C)CC2(F)CCOCC2)cc1Cl 2238271268 AIIWVUFKXSFYGZ-NSHDSACASA-N 301.789 3.348 10 10 DGCE CSc1ncc(CNCc2cc(F)c(O)c(F)c2)s1 2269270513 IYFIYKLGNAWIOU-UHFFFAOYSA-N 302.371 3.139 10 10 DGCE CSc1ncc(CN=c2[nH]ccc3cc(N)ccc23)s1 2284539809 VPKXKDCSGYNOLG-UHFFFAOYSA-N 302.428 3.029 10 10 DGCE Cc1ccc(CN[C@H]2[C@@H](C)C2(F)F)c(O)c1Br 2307565241 KZTXMFJTZXOKEX-HQJQHLMTSA-N 306.150 3.206 10 10 DGCE Cc1cc(NS(=O)(=O)c2c(C)csc2C)cc(C)c1O 2366466186 ODYDSTGFQZCOIA-UHFFFAOYSA-N 311.428 3.488 10 10 DGCE O=S(=O)(Nc1cccc(N2CCCCC2)c1)c1ccccc1 41373360 SHXZNYPLIGEJNP-UHFFFAOYSA-N 316.426 3.478 10 10 DGCE COc1ccc(CNC(C)C)cc1CN(C)CC(F)(F)F 50124971 IPPXGOBGCWJTKO-UHFFFAOYSA-N 304.356 3.187 10 10 DGCE CCN(c1ccc(N)cc1)S(=O)(=O)c1ccccc1Cl 63114511 RTPUCWQVUIMLTL-UHFFFAOYSA-N 310.806 3.137 10 10 DGCE CCCNCc1cc(Br)cc(Br)c1O 76276346 KZBAYUGNNMBDMF-UHFFFAOYSA-N 323.028 3.417 10 10 DGCE O=C(O)Cc1ccc(/N=N/c2c(C(F)(F)F)n[nH]c2O)cc1 106388440 JPSAKYAVDXYGJZ-WUKNDPDISA-N 314.223 3.177 10 10 DGCE COc1cc(OC)c(N2[C@@H]3CCC[C@@H]2CC(=O)C3)cc1Cl 108029526 JFZPITQVKGDNHB-GHMZBOCLSA-N 309.793 3.448 10 10 DGCE CC(C)NCc1ccc(N2CCC[C@@H](N(C)C)C2)c(Cl)c1 164128570 DINKCWQNNRRLRQ-OAHLLOKOSA-N 309.885 3.368 10 10 DGCE C[C@@H](N[C@@H]1CCCn2ncnc21)c1ccc2ccccc2c1O 185662841 SIPOXWFJGGHURO-MLGOLLRUSA-N 308.385 3.323 10 10 DGCE CSC1(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 193832933 KEIPSMYOCXDHHG-AWEZNQCLSA-N 306.475 3.069 10 10 DGCE COc1cc(Cl)cc(CN(C)[C@@H]2CCCC[C@@H]2CN)c1O 229104166 XHLUJWWFAWHRRA-BXUZGUMPSA-N 312.841 3.004 10 10 DGCE CC[C@H]1CCCN1c1ccc(CN)c(Br)c1F 231839222 QFIICMIQFMDYMX-JTQLQIEISA-N 301.203 3.426 10 10 DGCE CC(C)[C@H](C(=O)Nc1ccc(N)cc1)N1[C@@H](C)CCC[C@@H]1C 252199245 SXRWLWMSZUXRFJ-GRDNDAEWSA-N 303.450 3.495 10 10 DGCE CCCCCC(=O)NC1CCN(Cc2cccc(C)c2O)CC1 271696214 BFUMYYZWQHSVQZ-UHFFFAOYSA-N 318.461 3.362 10 10 DGCE CC[C@H](NC[C@@H]1CCC2(CCOCC2)[C@H]1O)c1ccccc1O 283374798 OHCUTICLQFDTSP-ZVZYQTTQSA-N 319.445 3.001 10 10 DGCE CCOc1ccc(O)c(CN2CCCC[C@@H]2c2nc(C)no2)c1 289666642 DDIQQXVBNPOHTP-OAHLLOKOSA-N 317.389 3.210 10 10 DGCE O=C(NC1CC1)c1cccc(N[C@@H]2CCc3cccc(O)c32)c1 296604352 XXNOWVXURGHNHK-MRXNPFEDSA-N 308.381 3.384 10 10 DGCE C[C@@H](CN[C@H](C)c1c(O)cccc1O)N(C)Cc1ccccc1 390547653 VUIZFDKNUUWAHU-LSDHHAIUSA-N 314.429 3.269 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@H]1CC[C@H]2CC[C@H]1O2 401619010 UBYCGBYJXOBSAV-WCFLWFBJSA-N 302.201 3.499 10 10 DGCE Cc1ccc(O)c([C@@H](C)NC[C@@H]2c3ccccc3C(=O)N2C)c1 527998691 AAFXYGBTZSQAHL-CXAGYDPISA-N 310.397 3.178 10 10 DGCE Cc1ccc([C@H](C)NC[C@@H]2c3ccccc3C(=O)N2C)c(O)c1 528003724 LUXQMFUNGGERFL-SUMWQHHRSA-N 310.397 3.178 10 10 DGCE Cc1cc([C@H]2CC(C(=O)Nc3ccc(N)cc3)=NO2)ccc1F 586037887 VFALUSVHMZTDIK-MRXNPFEDSA-N 313.332 3.172 10 10 DGCE C[C@H](Nc1c(N)cccc1Br)C1CCN(C)CC1 697450443 HGQKKRZCUPWAAS-JTQLQIEISA-N 312.255 3.174 10 10 DGCE C[C@H]1CN[C@H](C)CN1c1ccc(OC(F)(F)F)cc1Cl 699652181 ZUQAZEZLWDFLDK-BDAKNGLRSA-N 308.731 3.425 10 10 DGCE CCNCc1ccc(N2CC[C@H]3C[C@@H]3C2)cc1Br 711019903 XQVJPVFLFRWEII-WCQYABFASA-N 309.251 3.405 10 10 DGCE CO[C@@H]1CC[C@@H]1N(C)c1ccc([C@@H](C)N)c(Br)c1 724225507 XJQMFHPBDKPRKK-BIGNPOOSSA-N 313.239 3.082 10 10 DGCE C[C@@H]1CN(c2ccc(CNCc3ccoc3)cc2F)C[C@@H](C)O1 727466739 DYDBNTQHTMCFJA-ZIAGYGMSSA-N 318.392 3.322 10 10 DGCE COc1cccc(CN[C@H](c2cnn(C)c2)C(C)(C)C)c1O 748247810 YUNWPFKYTMDHHU-MRXNPFEDSA-N 303.406 3.011 10 10 DGCE COc1ccc([C@H](C)NC(=O)NCc2ccccc2O)cc1F 748462189 ARPLFCQDEAFCJC-NSHDSACASA-N 318.348 3.100 10 10 DGCE Cc1ccc([C@H](C)NCc2nccn2CC(F)(F)F)c(O)c1 756538660 DPKNOQIXCNCTDD-NSHDSACASA-N 313.323 3.310 10 10 DGCE Cc1cc(NS(=O)(=O)c2ccc3ncsc3c2)ccc1O 775284771 YOMJMKRXKOPMAU-UHFFFAOYSA-N 320.395 3.111 10 10 DGCE CC(C)n1ncc2c1C[C@@H](NCc1c(O)cccc1Cl)CC2 790996761 ZPEBGGNTUCMIMX-ZDUSSCGKSA-N 319.836 3.470 10 10 DGCE COc1cc(CN2CC[C@@H](C(F)(F)F)[C@@H]2C)c(O)cc1C 794650774 MSGCFZXDAVAFDS-CMPLNLGQSA-N 303.324 3.482 10 10 DGCE CCN(C)c1ccc(CN2CCN(c3cnccc3C)CC2)cc1 815107336 JQZSLUCLDNJFDH-UHFFFAOYSA-N 324.472 3.168 10 10 DGCE Oc1c(CN2CC[C@@](O)(C(F)(F)F)C2)ccc2ccccc12 816514980 LYIRSSZSUQYCBW-HNNXBMFYSA-N 311.303 3.045 10 10 DGCE COc1ccc(O)c(CNC(=O)Cc2cccc(C(C)C)c2)c1 837484528 HFNOLJLRYAUVCJ-UHFFFAOYSA-N 313.397 3.383 10 10 DGCE Cc1cc(Cl)cc(CN[C@@H]2CNc3ccccc3C2)c1O 844907377 IYABFLNZWLWOMH-HNNXBMFYSA-N 302.805 3.480 10 10 DGCE CNCc1ccccc1CN[C@H](C)c1cc(F)cc(F)c1O 844922703 CSNCIUUGNHYMJY-LLVKDONJSA-N 306.356 3.241 10 10 DGCE Cc1ccc([C@H](C)N[C@@H]2CCC[C@H]2Cc2cnn(C)c2)c(O)c1 850540583 NHESMJQFDMFLSP-QILLFSRXSA-N 313.445 3.496 10 10 DGCE CC[C@@H](NC[C@@H]1CCC(=O)N1)c1ccc(Cl)c(Cl)c1O 850548234 ZWMMLCWCMUZTIG-GZMMTYOYSA-N 317.216 3.018 10 10 DGCE CC[C@H](CC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)C(C)C 855228853 FJCKYHYECBOXCW-HZPDHXFCSA-N 318.461 3.462 10 10 DGCE CC(C)N(CCOC1CCOCC1)Cc1ccc(N(C)C)cc1 859081566 HDSLLARVXVFKDG-UHFFFAOYSA-N 320.477 3.159 10 10 DGCE CCOC(=O)C1=CC[C@@H](NC/C=C\c2ccc(N(C)C)cc2)C1 862489556 PDHKMQYUOPDXNS-KEGWNNHHSA-N 314.429 3.007 10 10 DGCE CCOCCCCCC(=O)NCc1ccc(N(C)C)cc1C 865903682 FCKKLSZBUBTCRR-UHFFFAOYSA-N 306.450 3.274 10 10 DGCE C[C@H](NC(=O)N[C@H](C1CC1)[C@@H]1CCCCO1)c1ccccc1O 868750269 ITHYMCUNPZZAPO-AFAVFJNCSA-N 318.417 3.100 10 10 DGCE CCc1cccc(CN2CC[C@](OC)(C(F)(F)F)C2)c1O 895572200 BYSYYUIPSOEWPB-CQSZACIVSA-N 303.324 3.108 10 10 DGCE C[C@@H]1CSCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 897558805 CFYBZTHTXZZOLS-VIFPVBQESA-N 323.439 3.138 10 10 DGCE Cc1ccc(O)c([C@H](C)N[C@@H](CCN(C)C)c2cccnc2)c1 903378470 CJPAQOLGAMFNJI-YJBOKZPZSA-N 313.445 3.439 10 10 DGCE c1c2c(cc3c1OCO3)[C@H]1CCc3cc4c(cc3N1CC2)OCO4 1083040788 YHNPPTYQEPECRU-CQSZACIVSA-N 323.348 3.194 10 10 DGCE Cn1cnc(/C=C/C(=O)N2CC3(CCCC3)c3ccccc32)c1 1126786459 XBOSROPNMIOGRC-CMDGGOBGSA-N 307.397 3.292 10 10 DGCE CCCN(c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-])C(C)C 1163605097 HNHNOSTZMOVVQI-CLFYSBASSA-N 306.362 3.406 10 10 DGCE CCN1CC[C@H](N(C)Cc2ccc(N3CCCC3)cc2)[C@H](C)C1 1319717061 KGKAYNOIMZDCOT-XLIONFOSSA-N 315.505 3.449 10 10 DGCE O=C(NCc1ccccc1O)N[C@@H]1CCCc2ccccc2C1 1479465169 CRWFHZDRVAERLE-QGZVFWFLSA-N 310.397 3.139 10 10 DGCE Cc1cc(C(=O)NCc2ccc(N(C)C)cc2C)c(N)cc1F 1543310284 UAGZRFPYJHKNDK-UHFFFAOYSA-N 315.392 3.021 10 10 DGCE O=C(NCc1cc(O)ccc1O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 1593872970 IOSQOZICKDGRTF-VBNZEHGJSA-N 303.402 3.321 10 10 DGCE CCOc1cccc(/C=C/C(=O)NCc2c(O)cccc2F)c1 1638866659 IGPGWKLSVDZZNX-MDZDMXLPSA-N 315.344 3.260 10 10 DGCE Cc1cc(C(=O)Nn2cccn2)c(C)n1-c1cccc(Cl)c1 1645407826 JJPAQRPPHUGRGD-UHFFFAOYSA-N 314.776 3.328 10 10 DGCE COc1ccc(CN[C@H](C)[C@@H](C)NC(=O)CC2CCC2)cc1C 1674647006 MMLJLOIMLYGMNF-HUUCEWRRSA-N 318.461 3.177 10 10 DGCE C=C/C(C)=C/CC(=O)N[C@H](C)CNCc1ccc(OC)c(C)c1 1699373532 GUIWXILMZNYIIK-SNQWNFELSA-N 316.445 3.120 10 10 DGCE CCCOC(=O)c1cccc(/N=N/N(C)C2CCN(C)CC2)c1 1860487201 YBWZJFVJPUQKEO-VHEBQXMUSA-N 318.421 3.278 10 10 DGCE CCOC(=O)N1CCC(N=NNc2cc(C)ccc2OC)CC1 1860495732 OOCSYULQOCYADE-UHFFFAOYSA-N 320.393 3.404 10 10 DGCE CCC1=NN(CC(C)C)C(=O)/C1=C/c1ccccc1[N+](=O)[O-] 1865677876 HWOUHEFBMRBRSH-UKTHLTGXSA-N 301.346 3.242 10 10 DGCE CC(=O)c1ccc(O)c(CN2CCC(Br)=C(C)C2)c1 1892823682 WRHXXDPETRFIHG-UHFFFAOYSA-N 324.218 3.469 10 10 DGCE O=C(O)C=Cc1ccc(N2CC[C@H]3C[C@@H]3C2)c(Br)c1 1912037474 IDCKPLFFUUCXAD-NWDGAFQWSA-N 322.202 3.393 10 10 DGCE [N-]=[N+]=NC[C@H]1CCN(Cc2sncc2Br)C1 1912173289 KRDQFKVVLARTIZ-SSDOTTSWSA-N 302.201 3.038 10 10 DGCE [N-]=[N+]=NC[C@H]1CCN(C(=O)c2cccc(Br)c2)C1 1912181975 VSHOTCWRKOZMNH-SECBINFHSA-N 309.167 3.222 10 10 DGCE C[C@H](CO)N(Cc1ccccc1)c1ccc(CN)cc1Cl 1914365419 PITQQEOPCNDQGK-CYBMUJFWSA-N 304.821 3.186 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@]1(C)CNCc1ccc(N)cc1 1939589806 JETXATWXCRLPOK-SFHVURJKSA-N 319.449 3.148 10 10 DGCE C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1CCCCN=[N+]=[N-] 1962302093 XNHRVPHYJJMWNX-STQMWFEESA-N 311.430 3.312 10 10 DGCE C[C@@H]1CN(CCCCN=[N+]=[N-])CC[C@@H]1NC(=O)OC(C)(C)C 1962302168 YGQLBOGPMOEKCG-OLZOCXBDSA-N 311.430 3.312 10 10 DGCE CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CN(CCCCN=[N+]=[N-])C2 1993492563 ZKNZXACLQFZADY-XJKSGUPXSA-N 323.441 3.314 10 10 DGCE CNCc1ccc(N(C)C[C@@H]2CC2(F)F)cc1Br 2036087613 LPSSNKDFWYWHRN-JTQLQIEISA-N 319.193 3.260 10 10 DGCE C[C@@H](N)c1ccc(N(C)Cc2cnco2)c(Br)c1 2043636372 QNHRJZXUXJJQBG-SECBINFHSA-N 310.195 3.093 10 10 DGCE CC(C)N1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=S 2053515937 QRVJFVCPYNTYNV-UHFFFAOYSA-N 308.384 3.204 10 10 DGCE COc1ccc([C@@H](C)n2ncc(C)c2Br)c(O)c1 2070301487 HBXNPDLGKXGBJR-SECBINFHSA-N 311.179 3.278 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)c1nc(Cl)sc1Cl 2078398532 BRDWEOIXAAFOMB-YFKPBYRVSA-N 306.178 3.365 10 10 DGCE CCOc1ccc2nc(Sc3ncc(CN)s3)[nH]c2c1 2155330857 QIODGSUEZJHEFJ-UHFFFAOYSA-N 306.416 3.028 10 10 DGCE CCC[C@H]1COC[C@H]1N(C)c1cc(Cl)c(CN)cc1F 2177383663 PGYJCPOEZMMKTP-ZUZCIYMTSA-N 300.805 3.189 10 10 DGCE C[C@H](N)c1ccc(N2CC[C@@H]3C[C@]3(F)C2)cc1Br 2222708821 RYFGMYMIVVCINX-RBZYPMLTSA-N 313.214 3.407 10 10 DGCE C[C@H](CCNCc1ccccc1O)CCNC(=O)OC(C)(C)C 2243679717 BSZFKKPXPSMSBO-CQSZACIVSA-N 322.449 3.423 10 10 DGCE Cc1ccc(CCNC(=O)C=Cc2ccc(O)c(O)c2)c(C)c1 2307996445 CMIKSJPDPYNHBL-UHFFFAOYSA-N 311.381 3.087 10 10 DGCE Cc1nc2ccccn2c1C=C1SC(=S)N(C2CC2)C1=O 2323858047 XGLFMAOPQXODBB-UHFFFAOYSA-N 315.423 3.006 10 10 DGCE CC(=O)[C@@H]1CCCN1Cc1ccc(C)c(Br)c1O 2327790873 XPGBMDDTSLVMPV-LBPRGKRZSA-N 312.207 3.017 10 10 DGCE Cc1ccc(CN(C)C(=O)C2CCC2)c(O)c1Br 2327798594 JSHXHIAHGUQXEI-UHFFFAOYSA-N 312.207 3.222 10 10 DGCE Nc1cc(Cl)c(N2C(=O)[C@@]34CCC[C@]3(C4)C2=O)c(Cl)c1 2365784586 FSPLBSXBZZDUKW-KBPBESRZSA-N 311.168 3.009 10 10 DGCE Cc1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1C 224259 JNGQTMQTDSXYSN-UHFFFAOYSA-N 319.411 3.109 10 10 DGCE CC(=O)N[C@H](c1cccc(F)c1)c1ccc2cccnc2c1O 22108605 HMOAULYPJNEQMW-MRXNPFEDSA-N 310.328 3.305 10 10 DGCE COc1ccc(NCc2cccc(Br)c2O)cc1O 48797035 DYVGLNBPZPSKES-UHFFFAOYSA-N 324.174 3.481 10 10 DGCE Nc1ccc(CNC(=O)Cc2ccc(Cl)c(Cl)c2)cc1 70579081 CSDNUBVZIZYFKZ-UHFFFAOYSA-N 309.196 3.435 10 10 DGCE COc1ccc(O)c(CN[C@H](C)c2ccc(N(C)C)cc2)c1 89726210 MROUYZKYZVHNQA-CYBMUJFWSA-N 300.402 3.318 10 10 DGCE C[C@H](NCC[C@@H]1CCCCO1)c1ccc(N2CCOCC2)cc1 180265854 QLLIWXYHIGNYNB-LPHOPBHVSA-N 318.461 3.133 10 10 DGCE Cc1cc(O)c(CN2C[C@@H](CO)[C@H](c3ccsc3)C2)cc1C 190291179 ADGCBVIRTXJVOY-IRXDYDNUSA-N 317.454 3.278 10 10 DGCE CCCOCCCNCc1cccc(Br)c1O 216237159 CLVWHDPYYBBWHN-UHFFFAOYSA-N 302.212 3.061 10 10 DGCE Cc1csc(C(=O)Nc2ccc(O)cc2C(=O)O)c1Cl 235966939 CURSYLNSGNZKHG-UHFFFAOYSA-N 311.746 3.366 10 10 DGCE C[C@@H](N)c1ccc(N2CC[C@@]3(O)CCCC[C@H]3C2)c(Cl)c1 250905058 QCYSPHKLACSKSJ-IFIJOSMWSA-N 308.853 3.491 10 10 DGCE COc1cccnc1N(C)C(=O)/C=C\c1cn(C)c2ccccc12 255300619 PVNXAICEFOXUQS-KHPPLWFESA-N 321.380 3.258 10 10 DGCE CCOc1cccc(CNCc2ccnc(OC(F)F)c2)c1O 283808473 BHKZAZFEAJINJT-UHFFFAOYSA-N 324.327 3.077 10 10 DGCE C[C@@H](CN[C@H](C)c1c(O)cccc1O)N(C)C(=O)OC(C)(C)C 304358857 YGTBHGBIMCNJTD-NWDGAFQWSA-N 324.421 3.004 10 10 DGCE CN(Cc1ccc(N)cc1)C1CCN(Cc2ccccc2)CC1 309818226 YTFHQZSVYMWOBM-UHFFFAOYSA-N 309.457 3.365 10 10 DGCE COc1cc(Cl)cc(CNC[C@H]2CCN2C2CCCC2)c1O 529670349 SKIICRDQRVHOSI-OAHLLOKOSA-N 324.852 3.161 10 10 DGCE C[C@@H]1CCN(C(=O)/C=C\c2cncc(O)c2)c2c(O)cccc21 588480167 XFACJFDZJRHANN-FOQNGQEVSA-N 310.353 3.046 10 10 DGCE COC[C@H]1CCCN1[C@H](C)c1cc(Br)ccc1O 696562465 KNLQVFHKQPBUIA-ZYHUDNBSSA-N 314.223 3.327 10 10 DGCE COc1ccc(CNCC2CN(Cc3ccccc3)C2)cc1C 716274753 ALTZWNQILTZEOY-UHFFFAOYSA-N 310.441 3.225 10 10 DGCE CN(C(=O)c1ccc(O)c(O)c1)c1ccc(Br)cc1 723915314 KKMRZZUQALJJJU-UHFFFAOYSA-N 322.158 3.137 10 10 DGCE CC[C@H](N[C@H]1CC[C@H]1OC)c1cc(Br)ccc1O 724200200 UYXLPVDHCGCUOB-SGMGOOAPSA-N 314.223 3.373 10 10 DGCE Cc1cc(Cl)cc(CN2CCc3ccnc(O)c3C2)c1O 756138073 NQKICHXSPIQLTH-UHFFFAOYSA-N 304.777 3.013 10 10 DGCE CCOC(=O)[C@@H]1CCCCN1Cc1cc(Cl)cc(C)c1O 775643610 SPDZNKPQUQSZBU-AWEZNQCLSA-N 311.809 3.272 10 10 DGCE Oc1ccc(Br)cc1CNc1ccnc(C2CC2)n1 804828645 UXCRMSCPZPINCC-UHFFFAOYSA-N 320.190 3.434 10 10 DGCE CC[C@H](N[C@@H](CCOC)COC)c1cc(Cl)ccc1O 810257701 TZSPATLJGTYNGQ-JSGCOSHPSA-N 301.814 3.138 10 10 DGCE C[C@H](NCc1ccc([C@@H](C)N)cc1)c1cc([N+](=O)[O-])ccc1O 817962104 GBXWGOMCMZITBP-NEPJUHHUSA-N 315.373 3.171 10 10 DGCE COC(=O)[C@H](C)CN(C/C=C\c1ccc(N(C)C)cc1)C1CC1 835043816 CRCRDRPNWNFZCW-IYKSTZQJSA-N 316.445 3.039 10 10 DGCE CCCN(CCC)c1ccc(CN2C[C@@H]3C[C@H]2C[S@@]3=O)cc1 846100607 PDENUKBPNZLKMP-SPEDKVCISA-N 320.502 3.018 10 10 DGCE C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CC1(N)CC1 852882667 NUGCGVWOEWIPGA-HNNXBMFYSA-N 324.424 3.363 10 10 DGCE C[C@@H]1CN(Cc2cc3c(cc2O)CCC3)C[C@@](C)(C(F)F)O1 853631369 VPOZQLRBGIWJED-DIFFPNOSSA-N 311.372 3.125 10 10 DGCE CCOC(=O)C1=CC[C@H](N[C@H](C)c2ccc(C)c(C)c2O)C1 858505895 CDLUQKAJSZPTGV-HIFRSBDPSA-N 303.402 3.312 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CCCC23CC3)c1 868845392 VCSWFNFPALOFPO-IAQYHMDHSA-N 304.390 3.094 10 10 DGCE COc1ccc(O)c([C@@H](C)NCc2cnc3onc(C)c3c2)c1 894782199 JZHKYYSTGWDCNL-SNVBAGLBSA-N 313.357 3.096 10 10 DGCE CC(C)(CC(=O)NCc1ccc(O)c(O)c1)CC(F)(F)F 901131652 NKKLFHINRFGYPC-UHFFFAOYSA-N 305.296 3.083 10 10 DGCE CCC/C=C\[C@H](O)C(=O)N(C)Cc1ccc(N(CC)CC)cc1 1135732848 ISSLNFRYGXYAPS-LPADLIQXSA-N 318.461 3.208 10 10 DGCE Cc1cc(Cl)cc2c1N(C(=O)/C=C\c1cn(C)cn1)CCC2 1360885467 IRBWPBOXXZODEU-WAYWQWQTSA-N 315.804 3.375 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)C1(c2ccccc2)CC1 1451957942 QAXKAOQLBWHAJU-UHFFFAOYSA-N 318.376 3.288 10 10 DGCE Cc1ccccc1CC(=O)NCc1ccc2cccnc2c1O 1557120540 DERQEHLJHMBZJV-UHFFFAOYSA-N 306.365 3.108 10 10 DGCE CC(C)OCc1cccc(NC(=O)c2c(F)ccc(O)c2O)c1 1558918444 SWDUVOZGKXDOHG-UHFFFAOYSA-N 319.332 3.414 10 10 DGCE CC[C@@H](Sc1ccccc1)C(=O)NCc1cccc(O)c1O 1593739488 ODMIKWUYSHXWKA-OAHLLOKOSA-N 317.410 3.285 10 10 DGCE CSCCc1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1 1638275528 OMXZFJJSBNAMER-UHFFFAOYSA-N 321.373 3.395 10 10 DGCE O=C(CSc1ccccc1Cl)NCc1cc(O)ccc1O 1643879172 DFJVOZZCUNLFTR-UHFFFAOYSA-N 323.801 3.160 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)c1cnc(CC2CC2)s1 1644590865 SAXPTDSPUQDNQE-UHFFFAOYSA-N 322.817 3.385 10 10 DGCE COc1ccc(CNCCN(C)C(=O)CCC2CCC2)cc1C 1691284318 CCUBTHLIBVMFKK-UHFFFAOYSA-N 318.461 3.132 10 10 DGCE CC(C)c1ccc(/N=N/N2CCN(c3ncccn3)CC2)cc1 1860483849 MBUKJCUJEMRQHO-QZQOTICOSA-N 310.405 3.421 10 10 DGCE COCCN(CCOC)/N=N/c1cc(C)c(Cl)cc1OC 1860483895 ODZTWGRMENHKMI-WUKNDPDISA-N 315.801 3.251 10 10 DGCE CN(Cc1ccccc1O)c1cc(Br)cc(CN)c1 1877530152 ZXWYXWBNFXMBGO-UHFFFAOYSA-N 321.218 3.250 10 10 DGCE Cc1ccc(CN2CCSCC2)c(O)c1Br 1905140617 ZNUVTRXIYIUEQY-UHFFFAOYSA-N 302.237 3.012 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@@]21[C@@H](N)c1ccccc1O 1937342946 UDSPGFUOBFADFY-QITLCBANSA-N 318.417 3.182 10 10 DGCE CCCSC1CN(c2ccc(CN)c(Br)c2)C1 1948330268 JFCKLLRWXQGUHG-UHFFFAOYSA-N 315.280 3.240 10 10 DGCE CCCN(CCNC(=O)OC(C)(C)C)Cc1ccc(N)cc1 1959544388 FUKSQKTYRJTCLO-UHFFFAOYSA-N 307.438 3.006 10 10 DGCE CCN(CCCCN=[N+]=[N-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1962301400 VFFJJUYIDWXNML-CYBMUJFWSA-N 311.430 3.408 10 10 DGCE NCc1ccc(N2CC[C@H](CCF)C2)c(Br)c1 2001376413 XESKMTPSEKDDIV-JTQLQIEISA-N 301.203 3.094 10 10 DGCE N[C@H]1CCCc2cc(N3CCN(Cc4ccccc4)CC3)ccc21 2012679622 HONLRFIGLKMFLP-NRFANRHFSA-N 321.468 3.345 10 10 DGCE COc1ccc([C@@H](N)c2ccccc2O)c(Br)c1 2037204714 DYUMKMXNZYCAQC-CQSZACIVSA-N 308.175 3.211 10 10 DGCE CNCc1ccc(N2CCCC[C@@H]2CF)c(Br)c1 2051765723 LHFJUDXTPGATND-GFCCVEGCSA-N 315.230 3.497 10 10 DGCE COc1ccccc1C[C@H](C)CC(=O)Nc1ccc(O)c(O)c1 2063250228 NTQAGDRPYTXUSW-LBPRGKRZSA-N 315.369 3.314 10 10 DGCE Cc1nc(NCc2ccccc2O)c(N)cc1Br 2071646468 PRWIPEWJCLTFIJ-UHFFFAOYSA-N 308.179 3.052 10 10 DGCE C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C(C)(C)CN1 2102326215 YPUYTDCSAZQWLU-SECBINFHSA-N 303.233 3.271 10 10 DGCE CCCn1ncc(Br)c1NCCc1ccc(N)cc1 2106190925 GJTYJXBCOCZVDA-UHFFFAOYSA-N 323.238 3.292 10 10 DGCE CN1CCc2cc([C@@H](O)[C@@H](N)c3csc(Cl)c3)ccc21 2154437202 TWNQKICXEYZXAM-LSDHHAIUSA-N 308.834 3.127 10 10 DGCE NC[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1cc(Cl)cc(Cl)c1O 2159191135 RPRWHDFNNGDNBE-CGJHYDBRSA-N 315.244 3.401 10 10 DGCE CN(C)c1ccc([C@@H](N)[C@](C)(O)c2csc(Cl)c2)cc1 2163132428 BSNFFJBAPMYBFT-HUUCEWRRSA-N 310.850 3.375 10 10 DGCE CN(C)c1ccc([C@@H](N)[C@](C)(O)c2ccc(Cl)s2)cc1 2163133052 IYPCOEGQCDGPQV-HUUCEWRRSA-N 310.850 3.375 10 10 DGCE CCCOC[C@H]1CCCN1c1cc(Cl)c(CN)cc1F 2177389985 TYEUMLDUSNTFHO-GFCCVEGCSA-N 300.805 3.333 10 10 DGCE CCNCc1cc(F)c(N2CC(C)(CSC)C2)c(F)c1 2182700979 FXKOIORZOBKZPZ-UHFFFAOYSA-N 300.418 3.264 10 10 DGCE C[C@H](O)c1cc(F)c(N2CCSCC(F)(F)C2)c(F)c1 2194517497 YSGCURJMLHNOTG-QMMMGPOBSA-N 309.328 3.207 10 10 DGCE COCCCCCCNCc1ccc(Br)cc1O 2221360320 FMRHFLFZJOFWIJ-UHFFFAOYSA-N 316.239 3.451 10 10 DGCE Oc1cccc(Cl)c1CN1CCC[C@@H](OCC(F)F)C1 2279282848 HAVCLCGVEOYBDU-SNVBAGLBSA-N 305.752 3.292 10 10 DGCE CCOC(=O)[C@H]1CCC[C@@H](NCc2cnc(SC)s2)C1 2284689536 OCLQPUDNMZGRJV-WDEREUQCSA-N 314.476 3.077 10 10 DGCE CSc1ncc(CN[C@@H]2CCCNC23CCCCC3)s1 2284695878 ALQLEFVTTNGJKP-CYBMUJFWSA-N 311.520 3.410 10 10 DGCE Nc1cc(Cl)c(N2C(=O)c3ccccc3C2=O)c(Cl)c1 2297001307 PZYNQLXUFDKBMQ-UHFFFAOYSA-N 307.136 3.376 10 10 DGCE Cc1cccc(C=C2SC(=S)N(C(C)(C)C(=O)O)C2=O)c1 2323870833 WXONUMDUKLOFHQ-UHFFFAOYSA-N 321.423 3.059 10 10 DGCE Cc1cnc(N(C)Cc2ccc(C)c(Br)c2O)[nH]1 2327586329 MHEHJCNSNYXWNP-UHFFFAOYSA-N 310.195 3.131 10 10 DGCE O=C1NC(=S)S/C1=C/c1ccc(Sc2ccccn2)o1 59382397 ZDYGBFWHBIEXJV-VQHVLOKHSA-N 320.420 3.315 10 10 DGCE COC1CCN(c2ccc([C@H](C)N)cc2Br)CC1 61695038 RKBWHGIMGKYIDO-JTQLQIEISA-N 313.239 3.084 10 10 DGCE CCN(CC(F)(F)F)c1c(F)cc(/C=C/C(=O)O)cc1F 62723310 CQSTZDHMSMQHQH-ONEGZZNKSA-N 309.234 3.451 10 10 DGCE Nc1ccc(OCCCN2CCC[C@@H](C(F)(F)F)C2)cc1 88417039 SQBFNNVULAESMP-GFCCVEGCSA-N 302.340 3.312 10 10 DGCE CCOc1cccc(CN2CCCC[C@@H](N3CCCC3)C2)c1O 92785656 GWEPRZZJEHDDSB-QGZVFWFLSA-N 318.461 3.241 10 10 DGCE N[C@H](c1cc(I)ccc1O)C1CCCC1 95769545 ZNCCUULCWDYMEH-LBPRGKRZSA-N 317.170 3.187 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCC2(C)COC2)c1 112693636 QJYUVJDCJZQGGW-UHFFFAOYSA-N 312.413 3.169 10 10 DGCE COc1cc(N(C)Cc2cnc(C)s2)cc(OC)c1OC 125704863 FQNJOQYAFSJIMI-UHFFFAOYSA-N 308.403 3.114 10 10 DGCE COC[C@@](C)(NCc1ccc(OC)cc1O)c1ccccc1 154657369 XSJVVWWMUOFXKX-GOSISDBHSA-N 301.386 3.052 10 10 DGCE COc1cc(CN2CC[C@H](OCCC(C)C)C2)c(O)cc1C 160373556 TWGXPFBGQGJLLQ-INIZCTEOSA-N 307.434 3.346 10 10 DGCE C[C@@H](NCCOC1CCCC1)c1ccc(N2CCOCC2)cc1 163241353 WENGSKWKHPWDCP-MRXNPFEDSA-N 318.461 3.133 10 10 DGCE CCOc1ccccc1CN(C)Cc1cc([N+](=O)[O-])ccc1O 172168944 ZAFFBBXNODCDRQ-UHFFFAOYSA-N 316.357 3.331 10 10 DGCE CCOc1ccc(O)c(CNCc2cc(F)ccc2OC)c1 189204753 OBFWJQNQMBOJLH-UHFFFAOYSA-N 305.349 3.228 10 10 DGCE C[C@H]1CN(CCCCN[C@H](C)c2ccc(F)cc2O)C[C@@H](C)O1 248492651 JIRXXPYDRIDXPU-QLFBSQMISA-N 324.440 3.071 10 10 DGCE C[C@@H](NC[C@@H](C)N(C)C(=O)OC(C)(C)C)c1cc(O)ccc1O 304281055 MGRAAEYIXHCVCR-VXGBXAGGSA-N 324.421 3.004 10 10 DGCE CN[C@@H](C)c1ccc(N2CCO[C@@H](CCF)C2)cc1Cl 700575393 PSSROCQOYHIMRI-AAEUAGOBSA-N 300.805 3.185 10 10 DGCE CCCn1ccnc1CNCc1ccc(Br)cc1O 701079886 UJDIURPVECDRLF-UHFFFAOYSA-N 324.222 3.051 10 10 DGCE CC(C)O[C@H]1CCN(Cc2cc(Br)ccc2O)C1 701730236 VDKVQYOYXMMPTD-ZDUSSCGKSA-N 314.223 3.154 10 10 DGCE Cc1ccc(Br)c(NCCOc2ccc(N)cc2)n1 712395098 RMNHARUBMISVNR-UHFFFAOYSA-N 322.206 3.226 10 10 DGCE Oc1cccc(Br)c1CNC1CC2(CSC2)C1 717876480 OLGRHMXHEJZSOH-UHFFFAOYSA-N 314.248 3.140 10 10 DGCE CCNCc1ccc(N2CCS[C@@H](C(F)(F)F)C2)cc1 721393302 ZXYNAAOYVKKONL-CYBMUJFWSA-N 304.381 3.280 10 10 DGCE Cc1ccc(/C=C/C(=O)NCc2ccc(N(C)C)cc2C)cn1 754271988 WIHHHNREXINLLL-JXMROGBWSA-N 309.413 3.094 10 10 DGCE COCCOc1cccc(CN[C@@H](C)c2cc(F)ccc2O)c1 756429331 GLIJBEJJULKYJK-ZDUSSCGKSA-N 319.376 3.407 10 10 DGCE COCCOc1cccc(CN[C@@H](C)c2ccc(F)cc2O)c1 756432883 SNKDYDWGLYPRBT-ZDUSSCGKSA-N 319.376 3.407 10 10 DGCE CC(C)c1nnc2c(N[C@@H](C)c3ccc(N(C)C)cc3)nccn12 777784379 HLPKOTGSHHCLHR-ZDUSSCGKSA-N 324.432 3.487 10 10 DGCE CC(C)n1ncc2c1C[C@H](NCc1c(O)cccc1Cl)CC2 790996759 ZPEBGGNTUCMIMX-CYBMUJFWSA-N 319.836 3.470 10 10 DGCE Cc1cc(Br)cc(CNC2(C(F)F)CC2)c1O 800542482 HGTIMUNDFULRDH-UHFFFAOYSA-N 306.150 3.350 10 10 DGCE CCOc1ccc(O)c(CN[C@@H]2COc3ccc(F)cc3C2)c1 808453028 VORIDAMPTZZJIS-HNNXBMFYSA-N 317.360 3.023 10 10 DGCE O=C1c2ccccc2C(=O)c2cc(NC(=O)[C@@H]3CC34CC4)ccc21 817427213 PWHLISQLTHQRBZ-INIZCTEOSA-N 317.344 3.201 10 10 DGCE NCCN(CCc1ccccc1)Cc1cc(Cl)cc(F)c1O 843122011 MZCUDOZIZCQWNS-UHFFFAOYSA-N 322.811 3.188 10 10 DGCE C[C@@H]1CN(C(=O)NCCc2ccc(N)cc2)CCc2ccccc21 846171891 JIJYTRAPPRCIEX-OAHLLOKOSA-N 323.440 3.183 10 10 DGCE Oc1cc2c(cc1CN1CCC[C@@H](OC3CCC3)C1)CCC2 848497766 QEBURJRKEUJZRC-GOSISDBHSA-N 301.430 3.414 10 10 DGCE CN(C)c1ccc(CN[C@H](C[C@@H]2CCCO2)C(F)(F)F)cc1 848572677 VKZQPDVVNVBGDD-LSDHHAIUSA-N 316.367 3.342 10 10 DGCE O=C(COC(=O)C1CC2(CCCCC2)C1)c1ccc(O)c(O)c1 850072111 KZVCRDINKZEFBX-UHFFFAOYSA-N 318.369 3.184 10 10 DGCE COc1cc(C)c(C)cc1NCc1cc2c(cc1O)OCO2 850353347 AURHWPAFXXPIDR-UHFFFAOYSA-N 301.342 3.358 10 10 DGCE COc1ccc(O)c(CN[C@@H](c2nccs2)C(F)(F)F)c1 862431035 BYARUWFKVOWISY-NSHDSACASA-N 318.320 3.251 10 10 DGCE Oc1c(F)cc(F)cc1CN1CCCC[C@@H]1[C@H]1CCC[C@@H]1O 894885367 BPDXNFGRTRKGGN-BMFZPTHFSA-N 311.372 3.186 10 10 DGCE CN(C)c1ccc(CNC(=O)[C@@H]2CCOC3(CCCC3)C2)cc1 905319276 YPTKDRGBINMSCI-MRXNPFEDSA-N 316.445 3.108 10 10 DGCE COc1ccc(O)c([C@H](C)NCc2ccnn2C2CCC2)c1 922217708 VXRKBCMAXZDNGQ-LBPRGKRZSA-N 301.390 3.173 10 10 DGCE C[C@@H](NC[C@@H]1CCCC2(CCC2)O1)c1cc([N+](=O)[O-])ccc1O 927009379 CMVSIXUSUYNEQZ-OCCSQVGLSA-N 320.389 3.443 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)c1cccc2c1O[C@@H](C)C2 1126079742 GLHWUAOVMDXQKV-AWEZNQCLSA-N 324.424 3.314 10 10 DGCE CCON(CC1CCCCC1)C(=O)/C=C/c1ccc(O)c(O)c1 1468868660 GGFNCKXLTTYEDI-PKNBQFBNSA-N 319.401 3.471 10 10 DGCE C[C@@H](C(=O)NCc1ccc(O)cc1O)c1ccc(Cl)cc1 1469160210 CXXNCKLPURMNTP-SNVBAGLBSA-N 305.761 3.171 10 10 DGCE C[C@@H](NC(=O)NCCc1ccc(F)c(F)c1)c1ccccc1O 1469808545 BGBQRMHNJSKALM-LLVKDONJSA-N 320.339 3.273 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)Nc2ccc(F)c(F)c2O)cc1 1638622597 PJKSVMCDTSUFGG-UHFFFAOYSA-N 320.255 3.085 10 10 DGCE Cc1onc(-c2ccncc2)c1C(=O)N[C@H](C)c1ccccc1O 1642824456 VVDLXPHUVUAKGK-LLVKDONJSA-N 323.352 3.242 10 10 DGCE COc1ccc(CN[C@](C)(c2noc(C)n2)C2CC2)cc1C 1643213153 RCYIORPIFKWWBG-KRWDZBQOSA-N 301.390 3.110 10 10 DGCE C=Cc1ccc(CCNC(=O)NCc2cc(C)ccc2O)cc1 1672973429 HOYHKKBZITZCCO-UHFFFAOYSA-N 310.397 3.386 10 10 DGCE O=C(NCC[C@@H]1CC[C@@H]2C[C@H]12)NCc1cccc(Cl)c1O 1676091124 BLHOXLSBWJFEPM-DMDPSCGWSA-N 308.809 3.281 10 10 DGCE COc1cccc(/C=C/C(=O)N(c2ccc(N)cc2)C2CC2)c1 1857927127 XXIQFOOPFYBPNO-LFYBBSHMSA-N 308.381 3.486 10 10 DGCE CCOc1ccc(/C=C2/C(=O)N(CC)N=C2C)cc1OCC 1865665102 BDEXXZLSCMKEIJ-GXDHUFHOSA-N 302.374 3.105 10 10 DGCE Cn1cccc1C(=O)Nc1ccc(Cc2ccc(N)cc2)cc1 1866110704 YRMCRSAXDRNFLW-UHFFFAOYSA-N 305.381 3.450 10 10 DGCE CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CN(c1ccc(N)cc1)C2 1897722881 JDNNFLCOXBUDCE-UGSOOPFHSA-N 317.433 3.010 10 10 DGCE c1ccc(COc2ccc(N3CCC[C@H]4CNC[C@@H]43)cc2)cc1 1899865005 JCCLZMBFHWJDGW-PXNSSMCTSA-N 308.425 3.454 10 10 DGCE C[C@H]1CCN(c2ccc(C=CC(=O)O)cc2Br)C1 1911790163 MDALYMUOEISYAE-JTQLQIEISA-N 310.191 3.393 10 10 DGCE CC(C)(C)OC(=O)NCCN(CCN=[N+]=[N-])c1ccccc1 1962287299 HIEFJGYNTNCABA-UHFFFAOYSA-N 305.382 3.328 10 10 DGCE CC1(CN)CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 1964650870 AHUDXQRIHJKGCO-UHFFFAOYSA-N 303.233 3.260 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H]([C@@H](N)c2ccccc2O)C1(C)C 1976579153 NODHXOUVJNZNRY-HIFRSBDPSA-N 320.433 3.428 10 10 DGCE CCN[C@@H](C[C@@H]1CCN1C(=O)OC(C)(C)C)c1ccccc1O 1979140109 KFCAOPCYRNVYEC-ZFWWWQNUSA-N 320.433 3.442 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](Oc3ccc(N)cc3)C[C@H]1C2 1992463310 KUYPIMLQVVWSBV-XPKDYRNWSA-N 318.417 3.436 10 10 DGCE Cc1cc(CO)ccc1N1C[C@H]2C[C@H]1CN(Cc1ccccc1)C2 1997910811 YBABUKASVDVPEU-PMACEKPBSA-N 322.452 3.198 10 10 DGCE NCc1cc(F)c(N2C[C@H]3CC[C@H](C3)C2)cc1Br 2035708309 DYQRVXZSLUTRPH-AOOOYVTPSA-N 313.214 3.283 10 10 DGCE COc1cccc(CNc2cnc(C)c(Br)c2)c1O 2092454213 ABACLRYQIXMPGH-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE CCCN[C@]1(CO)CCC[C@@H](Sc2nccs2)[C@@H]1C 2119183923 KKMVTEVDQGQCTA-SCRDCRAPSA-N 300.493 3.155 10 10 DGCE Cc1cc(NS(=O)(=O)c2c(C)sc(C)c2C)ccc1O 2145852952 IHWSLNGEUXENFF-UHFFFAOYSA-N 311.428 3.488 10 10 DGCE C[C@@H](c1cc(Cl)ccc1O)N1CCOC[C@@H]1C(F)(F)F 2150470567 RXQVNNJOWNIQIV-QPUJVOFHSA-N 309.715 3.370 10 10 DGCE Cc1cc(C(=O)NCCOc2ccc(N)cc2)sc1Cl 2165351306 FQPSILFTQSCNMI-UHFFFAOYSA-N 310.806 3.101 10 10 DGCE C[C@H](NC(C(F)(F)F)C(F)(F)F)c1cc(O)ccc1O 2183913084 SIVMSPXRUIQJNA-YFKPBYRVSA-N 303.202 3.242 10 10 DGCE N[C@@H]1CCc2cc(N3CCS[C@H](C(F)(F)F)C3)ccc21 2184725436 DQJROCUVPLNETA-OLZOCXBDSA-N 302.365 3.117 10 10 DGCE COc1ccc(Br)c(CN[C@H]2CCC[C@H]2F)c1O 2220462822 RGTAMLNYQDSPFX-MNOVXSKESA-N 318.186 3.144 10 10 DGCE COc1ccc(N2CCCNC(C)(C)C2)c(Br)c1 2221624062 HOTJFGRWLRYVAI-UHFFFAOYSA-N 313.239 3.036 10 10 DGCE COc1ccnc(Br)c1NCc1ccc(C)cc1O 2227176589 ABZJMPHGEVOSKA-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE CSc1ncc(CN=c2[nH]cnc(Cl)c2C(C)C)s1 2269276499 FNCKQYYWKRVOIZ-UHFFFAOYSA-N 314.867 3.466 10 10 DGCE CSc1ncc(CNCc2c(C)ccc(C)c2CO)s1 2284731879 WNJPTCUMJRERJO-UHFFFAOYSA-N 308.472 3.264 10 10 DGCE O=C1C(=Cc2cccnc2)SC(=S)N1Cc1ccco1 2296661372 RCSBRBMXPZDRNQ-UHFFFAOYSA-N 302.380 3.076 10 10 DGCE CCN(Cc1ccccc1C)C(=O)C=Cc1ccc(O)c(O)c1 2307990277 FZKARKHMIMRJJM-UHFFFAOYSA-N 311.381 3.468 10 10 DGCE Cc1ccc(CNCCCC(C)(C)O)c(O)c1Br 2327623916 MKVLDDGFRMZDQL-UHFFFAOYSA-N 316.239 3.104 10 10 DGCE CCN(CCN=[N+]=[N-])CCc1c(C)nc(Cl)nc1Cl 2337776017 BNCZKYBJRVVRNX-UHFFFAOYSA-N 303.197 3.267 10 10 DGCE Oc1cccc(Cl)c1CNCc1cnc(C(F)(F)F)o1 2368026687 KAQWAZYZRJSOIX-UHFFFAOYSA-N 306.671 3.342 10 10 DGCE O=C(Cc1cccs1)N1CCc2cc(N3CCCC3)ccc21 41121302 VABKQEPEWNNFDU-UHFFFAOYSA-N 312.438 3.480 10 10 DGCE CCNCc1ccc(N2CC[C@@H]3CC[C@@H](C2)N3C)c(Cl)c1 164143257 PQMNFLYXDABASS-GJZGRUSLSA-N 307.869 3.122 10 10 DGCE Cc1cccc(-n2c(C)cc(C(=O)N[C@@H]3CCC[C@@H]3O)c2C)c1 178586579 ZNYQPKHVJPEDMY-MSOLQXFVSA-N 312.413 3.046 10 10 DGCE C[C@H]1CO[C@H](c2ccccc2)CN1Cc1cc(F)ccc1O 180059414 OJZRWDUHNXSLIW-UGSOOPFHSA-N 301.361 3.493 10 10 DGCE CN(C)c1ccc(CN2CCC(Nc3nccs3)CC2)cc1 189955205 MITVXFMINHCZME-UHFFFAOYSA-N 316.474 3.286 10 10 DGCE CCC[C@@H](CNC(=O)OC(C)(C)C)NCc1cc(C)ccc1O 227764351 XLOPZRSDPCCLMG-HNNXBMFYSA-N 322.449 3.484 10 10 DGCE COc1cc(Cl)cc(CN(CCCC(=O)O)C(C)C)c1O 229118275 MEIOIXRDIUJTFQ-UHFFFAOYSA-N 315.797 3.129 10 10 DGCE CCN[C@H](C)c1ccc(N(C)CCOC)cc1Br 233608501 JYUUSRYVKPOTDQ-LLVKDONJSA-N 315.255 3.202 10 10 DGCE CC[S@](=O)[C@@H]1CCC[C@@H](N[C@@H](C)c2ccc(N(C)C)cc2)C1 246960060 HVINVHLMRQQWPS-JQVVKUFUSA-N 322.518 3.483 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)/C=C\c2ccc(C)o2)c1 255076394 SSQUTYPSFMOISP-ZVTBTPLYSA-N 301.342 3.193 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1C[C@H]1C 266811526 WHBFMNNWMYJLBP-ZBFHGGJFSA-N 303.450 3.329 10 10 DGCE O=C(NCc1ccc(N2CCCC2)cc1)c1nc(Cl)cs1 278928598 HUMPFZZYFWKZDK-UHFFFAOYSA-N 321.833 3.327 10 10 DGCE CC[C@H](NCc1ccc(N(CC)CC)cc1)[C@H](O)C(F)F 294961100 DYLMEEILYPNTQL-GJZGRUSLSA-N 300.393 3.027 10 10 DGCE C[C@H](N[C@H]1CCOC1(C)C)c1ccc(Br)cc1O 296279074 DYOVECUSJAXAQM-ZANVPECISA-N 314.223 3.373 10 10 DGCE COC(=O)c1ccc(CN(C)c2ccc(OC)cc2)cc1F 318340016 WGPZFLNIBJEPBD-UHFFFAOYSA-N 303.333 3.257 10 10 DGCE C[C@H](N[C@H]1CC(=O)N(Cc2ccccc2)[C@H]1C)c1ccccc1O 366966020 KFJBOBYAPKUAIE-MPGHIAIKSA-N 324.424 3.232 10 10 DGCE C[C@H](NC[C@H](C)N(C)Cc1ccccc1)c1cc(O)ccc1O 390541089 QZPRYGSNGXUHCL-GJZGRUSLSA-N 314.429 3.269 10 10 DGCE Oc1ccccc1CNC1[C@H]2C[C@H]1CN(Cc1ccccc1)C2 399714343 ZHTHPFUVISRHTR-ROUUACIJSA-N 308.425 3.002 10 10 DGCE Cc1ncccc1/C=C/C(=O)N1C[C@@H]2CCCN2c2ccccc21 492952263 GSHNADNNBCWNOL-DVQDXYAYSA-N 319.408 3.419 10 10 DGCE Oc1cccc(CNCc2c(O)cccc2Br)c1 706808487 RXAXKNOZJUOAAR-UHFFFAOYSA-N 308.175 3.150 10 10 DGCE C[C@@H]1OCC[C@H]1NCc1cc(Cl)cc(Br)c1O 708055350 CWPAVQIJGUPQIB-WRWORJQWSA-N 320.614 3.075 10 10 DGCE CN(Cc1ccccc1)C1CCN(c2ccc(CN)cc2)CC1 717519431 ABANUJZDAFMKMR-UHFFFAOYSA-N 309.457 3.246 10 10 DGCE COc1cc(Cl)cc(CN2CCOc3ccccc32)c1O 765636347 QNXBVVLOZNDEPC-UHFFFAOYSA-N 305.761 3.453 10 10 DGCE COc1cccc(O)c1CN(C)[C@H](C)Cc1ccc(O)cc1 769390162 RBBATBHRJUIQIG-CYBMUJFWSA-N 301.386 3.169 10 10 DGCE OC[C@@H](NCc1cc(Cl)cc(F)c1O)c1ccsc1 770668162 KLLNJAWBLGKZHS-GFCCVEGCSA-N 301.770 3.069 10 10 DGCE C[C@@H]1[C@H](C(F)(F)F)CCCN1Cc1cc2c(cc1O)OCO2 776012678 IPWVUHSOKOGNNH-MWLCHTKSSA-N 317.307 3.284 10 10 DGCE CCOc1ccc(CNCc2ccnc(OC(F)F)c2)c(O)c1 790637267 WFWUTCGLFCZMLQ-UHFFFAOYSA-N 324.327 3.077 10 10 DGCE C[C@@H](NC(=O)c1cccc(O)c1O)c1ccc(F)cc1Cl 790747713 ZLIDCIBDGMJVTE-MRVPVSSYSA-N 309.724 3.381 10 10 DGCE COc1ccc(N2CC[C@@H](CNC(=O)/C=C/C(C)(C)C)C2)cc1 819582122 IFMOYTJBDADOQS-GDXASINISA-N 316.445 3.240 10 10 DGCE CCN(CC)C(=O)[C@H]1CCCN1Cc1c(O)cc(C)cc1Cl 840912464 OLZYTMDIUQXMKE-OAHLLOKOSA-N 324.852 3.187 10 10 DGCE CC[C@@H](N[C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccncc1 850488868 VKROJCFGKRFYNT-VQIMIIECSA-N 311.429 3.410 10 10 DGCE C[C@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cscn1 852516087 LLFVKQIOCIUOPF-LBPRGKRZSA-N 318.446 3.112 10 10 DGCE C[C@H](NCC[C@@H](N(C)C)C(F)(F)F)c1ccc(F)cc1O 926966480 ZXYQHCJTUFVALL-TVQRCGJNSA-N 308.319 3.065 10 10 DGCE CC[C@@H](C)n1nc(NC(=O)NCc2c(O)cccc2F)cc1C 930714802 ADGRACYSTKAZSO-SNVBAGLBSA-N 320.368 3.329 10 10 DGCE CC[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(O)c(O)c1 1443672421 HUXHXDNMGKZGNW-CQSZACIVSA-N 313.397 3.468 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)CC[C@H](C)SC 1449124885 SGTAVSOGQFNOPC-NSHDSACASA-N 302.436 3.026 10 10 DGCE CCN1C[C@@H](C)N(Cc2cc(Cl)cc(C(C)=O)c2O)C[C@@H]1C 1459872895 IJZZIMXNXGNTCS-NWDGAFQWSA-N 324.852 3.163 10 10 DGCE C[C@@H](NC(=O)c1cc(O)cs1)c1cccc(-n2cccn2)c1 1465446457 IJSGCEWPAVJBDA-LLVKDONJSA-N 313.382 3.130 10 10 DGCE O=C(NCc1ccc(O)cc1O)C1(c2cccc(Cl)c2)CC1 1469159744 MRFGULSWGLZEKJ-UHFFFAOYSA-N 317.772 3.099 10 10 DGCE C[C@@H](NC(=O)c1cccc(Cn2ccnc2)c1)c1ccccc1O 1471195644 JTWKNENFISERQD-CQSZACIVSA-N 321.380 3.128 10 10 DGCE Cc1cc(F)c(CNC(=O)NCc2cc(C)ccc2O)c(F)c1 1471435930 YAQKDLHEDXPTNU-UHFFFAOYSA-N 320.339 3.287 10 10 DGCE C[C@@H](Cn1ccc2ccccc21)C(=O)NCc1c(O)cccc1O 1472063666 QCRFYKRMCDOQIY-ZDUSSCGKSA-N 324.380 3.005 10 10 DGCE Cc1nccc(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)n1 1535143827 PCUUTWZCJXTDTB-UHFFFAOYSA-N 320.396 3.123 10 10 DGCE O=C(NCc1c(O)cccc1F)c1ccc(-n2cccc2)cc1 1558456603 ZHKDIXKDAPDBLG-UHFFFAOYSA-N 310.328 3.252 10 10 DGCE Cc1[nH]c2ccc(C(=O)NCc3ccc(O)cc3O)cc2c1C 1643101200 YKZHFRSYVKNKEC-UHFFFAOYSA-N 310.353 3.126 10 10 DGCE O=C(NCc1c(O)cccc1F)c1ccc(Cn2cccc2)cc1 1646035264 UYIFGXUYYSXEJY-UHFFFAOYSA-N 324.355 3.311 10 10 DGCE COc1ccc(CNC2CC(N(C)C(=O)C=C(C)C)C2)cc1C 1725772280 PVDXCMYBNOVPME-UHFFFAOYSA-N 316.445 3.049 10 10 DGCE CCCC1=NN(CC(C)C)C(=O)/C1=C/c1ccc(O)c(O)c1 1865649848 HOLNNVUFVWNETJ-MDWZMJQESA-N 302.374 3.136 10 10 DGCE C[C@@H]1CCO[C@@H]1CCNCc1ccc(Br)cc1O 1918132066 YSJPHNOFDSZDSG-QMTHXVAHSA-N 314.223 3.059 10 10 DGCE CCN[C@H](c1ccccc1O)C1(NC(=O)OC(C)(C)C)CC1 1928469001 CKDTWKOWHUMRSI-CQSZACIVSA-N 306.406 3.100 10 10 DGCE C[C@@H]1C[C@@H]([C@H](N)c2ccccc2O)CCN1C(=O)OC(C)(C)C 1936968985 WMETYRUZNLGRJC-WWGRRREGSA-N 320.433 3.428 10 10 DGCE CC(C)(C)OC(=O)N[C@@H](c1cc(N)ccc1O)C(F)(F)F 1952963956 JHUTVZGHKQSNQV-JTQLQIEISA-N 306.284 3.103 10 10 DGCE C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1CCCCN=[N+]=[N-] 1962298748 HXEZAEVOYUAOLW-STQMWFEESA-N 311.430 3.407 10 10 DGCE [N-]=[N+]=NCCCNC(=O)c1cc(F)c(Br)cc1F 1963697251 AWGCMUINYCMQPX-UHFFFAOYSA-N 319.109 3.158 10 10 DGCE CO[C@H]1C[C@@H](CCNCc2ccc(Br)cc2O)C1 1974339560 XZKBSFFMCKHPLF-GSJFWJNXSA-N 314.223 3.059 10 10 DGCE CC(C)(C)OC(=O)N1CCC12CC([C@@H](N)c1ccccc1O)C2 1976886879 BWAYFZRITSNSGD-HBSPSFQMSA-N 318.417 3.182 10 10 DGCE C[C@H]1C[C@](N)(c2ccc(N(C)C)cc2)CN1Cc1ccccc1 1977956885 BGNYZNRSNUFZKR-OXJNMPFZSA-N 309.457 3.201 10 10 DGCE CN[C@H](c1ccccc1O)[C@@H]1C[C@@H]1[C@H](C)NC(=O)OC(C)(C)C 1982385014 NWXCOPMTYLEKFL-ADSMDIBLSA-N 320.433 3.202 10 10 DGCE C[C@H](CO)N(Cc1ccccc1)c1ccc2c(c1)CCC[C@@H]2O 1986601658 WOMPHINJYUGVGC-QRWLVFNGSA-N 311.425 3.444 10 10 DGCE C[C@H](CN[C@H](C)c1ccccc1O)C(=O)OCc1ccccc1 1989688072 XUDZWEQLAGIIKW-HUUCEWRRSA-N 313.397 3.422 10 10 DGCE Oc1ccc(Br)cc1CN1CCCC[C@H]1CF 2004480871 CMAVCNJAMAECIK-LBPRGKRZSA-N 302.187 3.479 10 10 DGCE CN(c1ccc(CO)c(Br)c1)[C@H]1CCC[C@H]1F 2006782069 STBDSVMFLNQQDJ-OLZOCXBDSA-N 302.187 3.268 10 10 DGCE CC[C@H](CCNCc1cc(Br)ccc1O)COC 2034913602 KKOACVQIPIXJJY-LLVKDONJSA-N 316.239 3.307 10 10 DGCE CC[C@@H](CCNCc1cccc(Br)c1O)COC 2034916786 ZXKKCYJLGVKBCU-NSHDSACASA-N 316.239 3.307 10 10 DGCE CCO[C@H](CNCc1ccc(Br)cc1O)C1CC1 2068145249 ZAYVGATZVUGHPE-CQSZACIVSA-N 314.223 3.059 10 10 DGCE CC[C@@H](C)N1CC(NCc2cc(Cl)cc(Cl)c2O)C1 2113006172 QBOVGTRLNDJYNV-SECBINFHSA-N 303.233 3.271 10 10 DGCE COc1cc(OCc2ccc(N)cc2)c(N)cc1Br 2137746867 JLOSNPWMBQCKLQ-UHFFFAOYSA-N 323.190 3.201 10 10 DGCE CCNCc1ccc(N(C)Cc2ccno2)c(Br)c1 2137781076 NNBOJLSGCCGNOP-UHFFFAOYSA-N 324.222 3.183 10 10 DGCE Cc1cccc(CNC(=O)c2ccccc2Br)c1O 2139750662 KKIYJDLCEQDEEH-UHFFFAOYSA-N 320.186 3.393 10 10 DGCE C[C@@H](N)c1ccc(N(C)[C@@H](CCO)C(F)(F)F)c(Cl)c1 2178513251 RIHDEALXCQSVIZ-PELKAZGASA-N 310.747 3.109 10 10 DGCE [N-]=[N+]=NC[C@H]1CCN(C(=O)c2cc(Cl)c(F)cc2F)C1 2179365393 OHYRFBXLXNRJKP-SSDOTTSWSA-N 300.696 3.391 10 10 DGCE FC(F)(F)[C@@H]1C[C@H](NCc2ccc3c(c2)CCO3)CS1 2189226546 SFGWOWJWBWEWDC-AAEUAGOBSA-N 303.349 3.148 10 10 DGCE Cc1oc(Br)cc1C(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-] 2218735734 REUXNIMCNLSITF-RKDXNWHRSA-N 313.155 3.312 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@@H]1NC(=O)c1cc(Cl)ncc1Cl 2225800711 RWIPLMPYTMYAGC-IUCAKERBSA-N 300.149 3.350 10 10 DGCE NCc1cc(F)c(N2CCC[C@@H]2COC(F)F)cc1Cl 2236736329 FCHQMYJPVUBVJT-SECBINFHSA-N 308.731 3.146 10 10 DGCE Cc1cc(Br)cnc1C(=O)N1CCC[C@@H](N=[N+]=[N-])C1 2269660103 ZEPMDNJMIGNPMY-SNVBAGLBSA-N 324.182 3.067 10 10 DGCE Cc1ccc(C=CC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 2308464758 JJBCTZZSIAABBL-AWEZNQCLSA-N 311.381 3.167 10 10 DGCE COC(=O)Cc1nc2c(O)cccn2c1N=Nc1ccc(C)cc1 2320774168 ICFFUQCGTFQAMN-UHFFFAOYSA-N 324.340 3.479 10 10 DGCE Cc1ccc(CN(C)Cc2ncco2)c(O)c1Br 2327611037 ZKYAONXWYALMJS-UHFFFAOYSA-N 311.179 3.083 10 10 DGCE COCCCCN(C)Cc1ccc(C)c(Br)c1O 2327799064 PZDIOFNDOQLLIB-UHFFFAOYSA-N 316.239 3.322 10 10 DGCE Cc1ccc(CNCc2ccccc2O)c(O)c1Br 2352683878 LWIQJWBAZFMBJP-UHFFFAOYSA-N 322.202 3.459 10 10 DGCE CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1CC(=O)O 103455042 BLIBUSWZDABXJU-GZTJUZNOSA-N 320.348 3.120 10 10 DGCE COc1ccc(O)c(CN[C@@H](c2ccccc2)c2ncc[nH]2)c1 127927375 RAPYWECVFARWBG-KRWDZBQOSA-N 309.369 3.003 10 10 DGCE CC(C)N(Cc1ccccc1)C(=O)CCOc1ccc(N)cc1 302909923 TWUHOPHZWWOVTO-UHFFFAOYSA-N 312.413 3.475 10 10 DGCE O=C(NC1CCCC1)c1cccc2c1C(=O)c1ccccc1C2=O 78328175 MJHGDNCEWSKIJD-UHFFFAOYSA-N 319.360 3.134 10 10 DGCE COc1ccc(CN2CCSC[C@H]2c2nccs2)c(O)c1 186652108 ALHONXHMZJIYNR-ZDUSSCGKSA-N 322.455 3.147 10 10 DGCE CC(=O)c1ccc(O)c(CN2CC[C@@H](SC(F)F)C2)c1 2365712094 PZVZLCSUSOIMQK-GFCCVEGCSA-N 301.358 3.125 10 10 DGCE CCOc1ccc(O)c(CN(C)Cc2ccc(OC)c(O)c2)c1 92405211 DKBWJODPXZJYNF-UHFFFAOYSA-N 317.385 3.137 10 10 DGCE CCOc1cccc(CN[C@]2(CO)C[C@@H](C)CC(C)(C)C2)c1O 236964485 KTSFHFLJTPRDGV-IFXJQAMLSA-N 321.461 3.458 10 10 DGCE COc1ccc(CN2CCO[C@H](c3ccsc3)C2)c(O)c1 93768653 NOGJLZWLCVONAQ-INIZCTEOSA-N 305.399 3.036 10 10 DGCE CN(Cc1ccc(N2CCCCC2)cc1)[C@H]1CCCC[C@H]1O 249351055 WJDCAVFXYFNLSA-RBUKOAKNSA-N 302.462 3.412 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@H]1C1CCCCC1 248511062 ASUOVYSDXSYANX-UHOFOFEASA-N 317.429 3.361 10 10 DGCE Cc1cncc(/C=C\C(=O)N2CCCN(C)c3ccccc32)c1 255582978 NAAHTTBYRIBSAU-HJWRWDBZSA-N 307.397 3.276 10 10 DGCE CC[C@H](N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)c1cccc(Cl)c1O 806148758 YAQMGBGJDIKWKY-JLUCKKNBSA-N 322.836 3.096 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)c1sccc1F 815835927 JSTSOHQOIIJUTF-UHFFFAOYSA-N 305.374 3.402 10 10 DGCE Cc1c(C)n(C)c2ccc(OC(=O)[C@H](C)c3cncnc3)cc12 817760957 GFRXPBBAATZCQC-GFCCVEGCSA-N 309.369 3.294 10 10 DGCE CN(C)c1ccc([C@@H]2CC(c3ccc(F)c(F)c3)=NN2)cc1 821172809 FRYIASLZXVZCGL-INIZCTEOSA-N 301.340 3.470 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)c1cncc(Cl)c1 825872850 CIEBJGSGYGMAFW-UHFFFAOYSA-N 303.793 3.039 10 10 DGCE COC(=O)CCC(C)(C)NC/C=C\c1ccc(N(C)C)cc1 835046271 ICVGAOQYEHXMOK-SREVYHEPSA-N 304.434 3.087 10 10 DGCE CC[C@](C)(NCc1ccc(N2CCOCC2)cc1)C(F)(F)F 747814114 PRAVFYAAHIAAMU-HNNXBMFYSA-N 316.367 3.344 10 10 DGCE CN(C)c1ccc(CN(C(=O)C2(C(F)F)CC2)C2CC2)cc1 843526966 KGDFADKZTOWWTO-UHFFFAOYSA-N 308.372 3.289 10 10 DGCE CCc1cccc(CN(C)Cc2nc(-c3cccnc3)no2)c1O 848887287 SDCKGPYKGMNCLT-UHFFFAOYSA-N 324.384 3.032 10 10 DGCE CN(C)c1ccc(CNC(=O)c2cc(F)cc(Cl)c2)cc1 756906450 GZSGBXARIOXCMJ-UHFFFAOYSA-N 306.768 3.475 10 10 DGCE Cc1ccc([C@@H](C)N[C@H]2C[C@@](CO)(c3ccccc3)C2)c(O)c1 927154831 DTKOZWIGSPKSSV-MDYRTPRTSA-N 311.425 3.444 10 10 DGCE COc1ccc(O)c([C@@H](C)NCc2ccnn2C2CCC2)c1 922217707 VXRKBCMAXZDNGQ-GFCCVEGCSA-N 301.390 3.173 10 10 DGCE Cc1c(NC(=O)N2Cc3cccc(O)c3C2)cnn1CC(C)C 930613800 NXKWHWHDHJLWDY-UHFFFAOYSA-N 314.389 3.101 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]2c2cn[nH]c2)c1O 878877996 NFJLAOOVKARHGI-OAHLLOKOSA-N 319.792 3.308 10 10 DGCE CCN(Cc1cn(C)nn1)Cc1cc(-c2ccccc2)ccc1O 781928784 DLPWVUASWRTVRY-UHFFFAOYSA-N 322.412 3.210 10 10 DGCE CC(C)c1noc(CCNC/C=C/c2ccc(N(C)C)cc2)n1 1328107054 HTFKOHGHUYWMOR-AATRIKPKSA-N 314.433 3.105 10 10 DGCE CO[C@@H]1CC[C@H](C)N(Cc2cc(Br)ccc2O)C1 687214823 ASVPLSNAARPUDW-GXFFZTMASA-N 314.223 3.154 10 10 DGCE COC(=O)[C@@H](NCCCN=[N+]=[N-])c1cc(Cl)cc(Cl)c1 90259702 SXALLCOAFCDZFI-NSHDSACASA-N 317.176 3.498 10 10 DGCE COc1ccc2c(c1)C[C@H](C(C)C)CN2C[C@H](O)CSC 1460282101 CQXIXAJBXDAJJV-GJZGRUSLSA-N 309.475 3.054 10 10 DGCE O=C(NCc1cccc(Cl)c1O)c1cccc2cc[nH]c12 1472316854 JSFDKQFDIIWMFU-UHFFFAOYSA-N 300.745 3.457 10 10 DGCE CCc1c(C(=O)NCc2cccc(O)c2O)oc2ccccc12 1471641986 DYNYQYXDEVNMDB-UHFFFAOYSA-N 311.337 3.336 10 10 DGCE C[C@@H](NC(=O)C(F)(F)Cc1ccccc1)c1ccccc1O 1557966626 KXBAZWMQUZRXOW-GFCCVEGCSA-N 305.324 3.447 10 10 DGCE O=C(NCc1c(O)cccc1F)c1cc(O)c2ccccc2c1 1638862830 DUJGZBTZSGCTIZ-UHFFFAOYSA-N 311.312 3.320 10 10 DGCE Cc1ccc(O)c(CNC(=O)NCc2ccc3cccnc3c2)c1 1565201040 WWQGQZCBHIPQAU-UHFFFAOYSA-N 321.380 3.248 10 10 DGCE Cc1cc2cc(C(=O)NCc3ccc(O)cc3O)oc2cc1C 1570462481 VJOFVDNCGRKNHE-UHFFFAOYSA-N 311.337 3.391 10 10 DGCE CNCc1ccc(N(Cc2ccccc2)[C@@H](CO)C(C)C)cc1 1915276103 LHEFXBJTCAIHDO-FQEVSTJZSA-N 312.457 3.430 10 10 DGCE C[C@H](Nc1csnc1Br)c1cc(O)ccc1O 1926858504 JJVJIQFSKIBWKX-LURJTMIESA-N 315.192 3.490 10 10 DGCE C[C@H](NCc1c(O)cccc1Br)[C@@H]1CCSC1 1942257839 ZVLMVDCRACKZOR-VHSXEESVSA-N 316.264 3.386 10 10 DGCE Cc1ccc(O)c([C@@H]2[C@@H](N)CCCN2C(=O)OC(C)(C)C)c1 1952603846 ZYKQXOFZBZOAEW-DZGCQCFKSA-N 306.406 3.100 10 10 DGCE Oc1c(Br)cc(Cl)cc1CNC[C@H]1C[C@H]1F 1987847625 IFRSRAPNBRQDKS-LHLIQPBNSA-N 308.578 3.256 10 10 DGCE Cc1ccc(CN[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1 1994457507 CGRDNPJVJHWIIX-CABCVRRESA-N 320.433 3.236 10 10 DGCE C[C@@H](NCC1(Br)CCC1)c1cc(F)ccc1O 2002768448 QKOAAXPUNWMHDQ-SECBINFHSA-N 302.187 3.500 10 10 DGCE CCN[C@H](c1cc(Br)sn1)c1ccccc1O 2007641851 UOAFYOLIQWTLGC-LBPRGKRZSA-N 313.220 3.310 10 10 DGCE Oc1ccc(Br)cc1CN[C@H](CF)C(F)(F)F 2012896093 AZMNDLINEBIDCS-SECBINFHSA-N 316.092 3.145 10 10 DGCE CO[C@H](C1CC1)C(F)(F)CNCc1c(O)cccc1Cl 2155495898 UXPRFZDLQCZPMQ-CYBMUJFWSA-N 305.752 3.196 10 10 DGCE CC(C)OC1CN(c2ccc([C@H](C)N)cc2Br)C1 2040863651 RRKSWVLJUYLLHU-JTQLQIEISA-N 313.239 3.082 10 10 DGCE C[C@H]1[C@H](C)CCN1c1ccc(CN)c(Br)c1F 380588287 MSSHOPRUIJWHBL-BDAKNGLRSA-N 301.203 3.282 10 10 DGCE CC(C)NCc1ccc(N(C)[C@H](C)C[S@](C)=O)c(Cl)c1 398878578 GGHBPZLUEZIWGX-ODXCJYRJSA-N 316.898 3.041 10 10 DGCE CC(C)c1cc(C=O)n(Cc2cc(Br)ccc2O)n1 2069977950 RZSUXENPMQVLHA-UHFFFAOYSA-N 323.190 3.335 10 10 DGCE CCc1cccc(S(=O)(=O)Nc2ccc(O)cc2Cl)c1 2175283974 OXFGJXYLMRGSPT-UHFFFAOYSA-N 311.790 3.409 10 10 DGCE CC(F)(F)c1cc(CNCc2c(O)cccc2Cl)no1 2192910609 OYKGUVMLWYUAHI-UHFFFAOYSA-N 302.708 3.435 10 10 DGCE OCc1ccc(N2C[C@H]3CC[C@@](F)(C3)C2)c(Br)c1 2049314998 VBWLYVQFOMGVJQ-SMDDNHRTSA-N 314.198 3.270 10 10 DGCE CN(CC1(F)CCC1)c1ccc(CN)c(Br)c1F 2057679745 UCXSQEDRWUKJTA-UHFFFAOYSA-N 319.193 3.375 10 10 DGCE COc1cc(N2CCC(C)=C(Br)C2)ccc1CN 2084012921 WPTOLJFZKSZKLV-UHFFFAOYSA-N 311.223 3.033 10 10 DGCE CCOC(=O)[C@](CSc1nccs1)(NC(C)C)C(C)C 2207863400 WNCJHFQWGOLVCN-CQSZACIVSA-N 316.492 3.191 10 10 DGCE Cn1c(C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])cc(Cl)c1Cl 2225798623 JSFBWZOURLKRDR-HTQZYQBOSA-N 302.165 3.293 10 10 DGCE COC(OC)[C@@H]1CCCC[C@H]1NCc1cnc(SC)s1 2284701231 ZHEUBRQXPXKLQI-VXGBXAGGSA-N 316.492 3.132 10 10 DGCE C[C@H]1CN(c2cc(Cl)c(CN)cc2F)[C@H](C)C(C)(C)O1 2287887813 NQUVRENKEAVCKA-VHSXEESVSA-N 300.805 3.330 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)N(Cc1ccccc1)C1CC1 2307982018 KDYPQNQLUYBDQT-UHFFFAOYSA-N 309.365 3.302 10 10 DGCE C[C@@H]1CN(C(=O)C=Cc2ccc(O)c(O)c2)[C@@H]2CCCC[C@H]12 2308248217 LQUBEQVKKWFFSM-BPLDGKMQSA-N 301.386 3.148 10 10 DGCE CC[C@]1(NCc2ccc(C)c(Br)c2O)CCOC1 2327630983 UOGBGOLTBBPOFJ-AWEZNQCLSA-N 314.223 3.122 10 10 DGCE CC1=NN(c2ccccc2C)C(=O)/C1=C\Nc1ccccc1O 104059126 VNCLHTKWCBNIIL-KAMYIIQDSA-N 307.353 3.419 10 10 DGCE Cc1cnn(CCNC(=O)c2cc(C)n(-c3ccccc3)c2C)c1 117814450 JFRFYRFZHPJLPX-UHFFFAOYSA-N 322.412 3.029 10 10 DGCE CC(C)Cc1ncc(C(=O)NCc2ccc(N(C)C)cc2)s1 1355879266 SUMKJDJWCJEASP-UHFFFAOYSA-N 317.458 3.338 10 10 DGCE COc1cc(OC)c2ncnc(Sc3nccs3)c2c1 302767326 YZECKEJYQPZQFS-UHFFFAOYSA-N 305.384 3.255 10 10 DGCE COCCCNCC(=O)c1cc(C)n(-c2ccc(C)cc2)c1C 62658732 LZUNYYDJQBZZPQ-UHFFFAOYSA-N 314.429 3.211 10 10 DGCE COc1cc(NCc2ccc(N(C)C)cc2)c([N+](=O)[O-])cc1F 301625559 PWUGNECATYDJRN-UHFFFAOYSA-N 319.336 3.421 10 10 DGCE Cc1cc(Br)cn(CCCc2ccc(N)cc2)c1=O 122750424 HBOKNQDLGSVERS-UHFFFAOYSA-N 321.218 3.134 10 10 DGCE Cc1cc(O)c(CN2C[C@H](CO)[C@H](c3ccsc3)C2)cc1C 190291157 ADGCBVIRTXJVOY-SJORKVTESA-N 317.454 3.278 10 10 DGCE C[C@@H]1CN(c2ccc([C@@H](C)N)c(Br)c2)CCCO1 235214558 ONDMMRWAZUZRAR-GHMZBOCLSA-N 313.239 3.084 10 10 DGCE CC(=O)N(C(=S)N[C@@H]1CCCC[C@H]1C)c1ccc(N)cc1 242600391 CJVNSAOOOFTTOS-IAQYHMDHSA-N 305.447 3.075 10 10 DGCE CN1CCC(CCNCc2cc(Cl)c(F)cc2O)CC1 293573835 JECOJTQLNZHTFZ-UHFFFAOYSA-N 300.805 3.006 10 10 DGCE Cc1cc(Cl)cc(CN2CC[C@@H](N3CCCC3)[C@H]2C)c1O 809724629 SDBRNNAYCPFWKR-CZUORRHYSA-N 308.853 3.413 10 10 DGCE CN1CCN(c2ccc(CN3CCC[C@H](CCF)C3)cc2)CC1 827270788 FZHYKAXNHNFGFI-QGZVFWFLSA-N 319.468 3.010 10 10 DGCE C[C@H](N[C@@H](CO)CCc1ccccc1)c1c(O)cccc1F 903292676 KCSZSICFMCAQDJ-DZGCQCFKSA-N 303.377 3.176 10 10 DGCE Cc1cc(O)c(CN2CC[C@H](C(F)(F)F)[C@@H](N)C2)c(Cl)c1 903983065 BFFQXZFXJBAXAU-JQWIXIFHSA-N 322.758 3.066 10 10 DGCE Cn1ccnc1C[C@@H](NCc1ccccc1O)c1ccccc1 742388077 KQDBZERHMDTGIV-QGZVFWFLSA-N 307.397 3.199 10 10 DGCE C[C@H](N[C@@H](C)[C@@](C)(O)c1ccccc1)c1cc(F)ccc1O 846186541 GXHFRWCPCPPBRF-ZJNRKIDTSA-N 303.377 3.478 10 10 DGCE COc1cc(Cl)cc(CN2CC[C@]3(C2)CC3(F)F)c1O 846118554 XLSBZXUQNIQZGF-CYBMUJFWSA-N 303.736 3.285 10 10 DGCE C[C@H](N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)c1ccc2ccccc2c1O 756731087 DKYCWHASYRCSJD-OVAAFMSASA-N 324.424 3.205 10 10 DGCE Cc1cc(F)ccc1C[C@@H](C)NC(=O)NCc1ccccc1O 852463378 QIBQCXUZRUVNDG-CYBMUJFWSA-N 316.376 3.270 10 10 DGCE COc1cc(N[C@H](C)c2ccc(N(C)C)cc2)cnc1OC 858481536 JEMSGOLFCGRFIH-GFCCVEGCSA-N 301.390 3.338 10 10 DGCE CC[C@H](C)[C@@H](C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855224173 FHLYIXRCSWOJAI-ZNMIVQPWSA-N 304.434 3.072 10 10 DGCE CN(C)c1ccc(CNC(=O)NC[C@@H]2CCCC23CC3)cc1 859014637 LWXFYQUFUPIADC-HNNXBMFYSA-N 301.434 3.132 10 10 DGCE CO[C@H](CN[C@@H](C)c1cc(Cl)cc(C)c1O)[C@@H]1CCOC1 850484122 CPZZAWJCUAJXPW-YWPYICTPSA-N 313.825 3.056 10 10 DGCE Cc1cc(O)c(CN2CC[C@](CO)(C(F)(F)F)C2)c(Cl)c1 895835825 FSHOHMZLKLMFGS-ZDUSSCGKSA-N 323.742 3.101 10 10 DGCE c1ccc(COc2ccc(N3CC[C@@H]4NCC[C@@H]4C3)cc2)cc1 1899862555 ULBJTWKIWYPHBS-XLIONFOSSA-N 308.425 3.454 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCN(CCN=[N+]=[N-])C1 1962300058 PCEMMOQZSWMREB-OLZOCXBDSA-N 309.414 3.018 10 10 DGCE CN(C)[C@@H](CNCc1ccc(Cl)cc1O)c1cccs1 1964018735 ARKFLYHQGXBEDO-ZDUSSCGKSA-N 310.850 3.500 10 10 DGCE C[C@@H](NCc1ccccc1O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 279689889 HZIQADVMSCEKMD-UKRRQHHQSA-N 320.433 3.127 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@H](Nc1ccccc1N)C2 1894518574 RMIMUQVHFRXLJZ-HEHGZKQESA-N 317.433 3.326 10 10 DGCE C[C@H](NCc1ccc(Br)cc1O)c1ccns1 715965289 JDDMRKLRPOZXLH-QMMMGPOBSA-N 313.220 3.462 10 10 DGCE Cc1ccc(O)c([C@@H](C)NCC2CN(Cc3ccccc3)C2)c1 716279395 KUJVXUQAMLOVNU-MRXNPFEDSA-N 310.441 3.483 10 10 DGCE O=C(NCc1cccc(Cl)c1O)NC1C[C@H]2CC[C@H](C1)C2 1251216725 SWBHVORBCQFSLM-QWRGUYRKSA-N 308.809 3.424 10 10 DGCE CCO[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)C1CCCC1 1434913864 CNHSUDVEHGPITN-KRWDZBQOSA-N 322.424 3.103 10 10 DGCE CN(C)c1ccc(CNC(=O)c2nc(C(C)(C)C)cs2)cc1 1523211963 JILHNNHDYDVZMT-UHFFFAOYSA-N 317.458 3.437 10 10 DGCE Cc1ccc(O)c(CNC(=O)Cc2cccc3ncccc23)c1 1470258085 OESORHHTYOWNBE-UHFFFAOYSA-N 306.365 3.108 10 10 DGCE CCN1CCN(/N=N/c2ccc(C)c(Br)c2)CC1 1860486833 HCMDNHMHBGEFRC-FOCLMDBBSA-N 311.227 3.394 10 10 DGCE COc1ccc(N(C)C[C@H]2CC[C@H](C(F)(F)F)O2)cc1F 1473251865 XWPDCSPFWKBXER-ZWNOBZJWSA-N 307.287 3.380 10 10 DGCE CN(C)c1ccc(CN2CCC[C@H]2[C@H](O)c2ccccc2)cc1 1620481896 UZNKASBQMADKHY-VQTJNVASSA-N 310.441 3.451 10 10 DGCE Cc1cc(F)c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(F)c1 1624954952 NUMRHMZJSIVPFY-SNVBAGLBSA-N 321.323 3.045 10 10 DGCE COc1ccc2c(c1)c1c(n2CC(=O)NC2CCC2)CCCC1 1584439886 MRDZKIDPNBPQPD-UHFFFAOYSA-N 312.413 3.197 10 10 DGCE CC(C)(C)[C@@H](CO)CNCc1cc(Cl)cc(Cl)c1O 1965905801 DDCGSDOTSIBHHD-SNVBAGLBSA-N 306.233 3.443 10 10 DGCE Cc1cc(C(=O)Nc2ccc(N)cc2)c(C)n1-c1ccccn1 160413362 BKNVSKROSJEBAD-UHFFFAOYSA-N 306.369 3.324 10 10 DGCE CC(C)COCCCN[C@H](C)c1ccc(N2CCOCC2)cc1 163281180 NIHLRHDYONQWMN-QGZVFWFLSA-N 320.477 3.237 10 10 DGCE CCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C/c1ccccn1 1865673335 ZFERODIPFOGKFI-FOWTUZBSSA-N 307.353 3.286 10 10 DGCE Nc1ccc(CN2CCC[C@H](NC(=O)Nc3ccccc3)C2)cc1 586063011 SCLKJNQEWICWJP-SFHVURJKSA-N 324.428 3.055 10 10 DGCE N[C@@H](CSc1nccs1)c1ccnn1Cc1ccccc1 1903575051 ILMQABVXOIJCIU-ZDUSSCGKSA-N 316.455 3.180 10 10 DGCE CC[C@@H](CCNC(=O)OC(C)(C)C)[C@H](N)c1ccccc1O 1926036689 VPIVOKJHHKQCJN-WFASDCNBSA-N 308.422 3.333 10 10 DGCE C[C@@H]1[C@@H](NCc2cc(Br)cc(F)c2O)C1(F)F 1948221301 OMUXPXYKGNLLKX-GPXNAGAYSA-N 310.113 3.037 10 10 DGCE CC(C)(C)OC(=O)NC1(CCNCc2c(O)cccc2F)CC1 1972551231 CLOPSJUEUBEKOO-UHFFFAOYSA-N 324.396 3.068 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H]([C@@H](N)c2ccccc2O)C12CC2 1977088435 NQCVUTYUAYAFIG-HIFRSBDPSA-N 318.417 3.182 10 10 DGCE CC(C)(C)OC(=O)NC1[C@H]2CC[C@H]1CN(c1ccc(N)cc1)C2 1977936740 VFLYBMQYNWHLSI-STQMWFEESA-N 317.433 3.008 10 10 DGCE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN(Cc2ccc(N)cc2)C1 1977926170 OJHOAFUYHWFNQA-CJNGLKHVSA-N 319.449 3.004 10 10 DGCE CN1CCc2cc([C@@H](O)[C@H](N)c3cscc3Cl)ccc21 2148346381 LDBHIJGITHYZBQ-HUUCEWRRSA-N 308.834 3.127 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CNc3ccc(N)cc3)C[C@H]21 1994780253 DTAJKQRWULIZFY-DAXOMENPSA-N 317.433 3.326 10 10 DGCE CS(=O)(=O)c1ccccc1NCc1ccc(Cl)cc1O 2146307757 DKFSBBJERBBTRB-UHFFFAOYSA-N 311.790 3.061 10 10 DGCE CN(c1ccc(CN)cc1Br)[C@@H]1CCC[C@@H]1F 2006795303 RKFOQEDMWAPVEV-WCQYABFASA-N 301.203 3.235 10 10 DGCE Cc1sc(Br)nc1CN1CCC[C@@H]1CN=[N+]=[N-] 2009446762 ZIIRSDRWUYUDFA-MRVPVSSYSA-N 316.228 3.489 10 10 DGCE [N-]=[N+]=NCCCN[C@@H](C(=O)O)c1cc(Cl)c(Cl)s1 2037474928 MBNRBLCSAUYJLB-SSDOTTSWSA-N 309.178 3.471 10 10 DGCE Cc1cc(CN)ccc1N(C)C[C@H]1CCN(Cc2ccccc2)C1 382768286 JFKRSZSYOFHUJY-HXUWFJFHSA-N 323.484 3.412 10 10 DGCE c1cc(N2CCCC2)ccc1CN[C@@H]1CCCCC12OCCO2 715646553 DVSURWDTQXELRT-GOSISDBHSA-N 316.445 3.062 10 10 DGCE CCc1cc(C(=O)OC(C)(C)C)n(Cc2ccc(C)cc2O)n1 2070027434 NVPSADNAKVDIAX-UHFFFAOYSA-N 316.401 3.463 10 10 DGCE CNCc1cc(C2CCCC2)nn1Cc1cc(OC)ccc1O 2070086808 KBHQOFDQQOQXML-UHFFFAOYSA-N 315.417 3.023 10 10 DGCE CCc1nn(Cc2cc(C)ccc2O)c(C(F)F)c1C(=O)OC 2078892163 HNVCFKFBNPQZIB-UHFFFAOYSA-N 324.327 3.232 10 10 DGCE CCNCc1ccc(N2CC[C@](F)(COC)C2)cc1Cl 2179806702 QFLKHXKYLXAHGW-OAHLLOKOSA-N 300.805 3.014 10 10 DGCE CC[C@@H](O)[C@H]1CCCCN1c1cc(Cl)c(CN)cc1F 2177381318 LTDZOIPJFUZQAO-UKRRQHHQSA-N 300.805 3.068 10 10 DGCE NCc1cc(F)c(N2C[C@H]3CC=CC[C@@H]32)cc1Br 2057021893 JEEPQPIIZBNECK-RNCFNFMXSA-N 311.198 3.202 10 10 DGCE CN[C@@H](C)c1ccc(N(C)[C@@H]2COCC2(F)F)c(Cl)c1 2197010156 FTGIXESBTDXUBK-TVQRCGJNSA-N 304.768 3.091 10 10 DGCE CN[C@H](C)c1ccc(N(C)CC2(Br)CC2)c(F)c1 2076252059 CVDLYBYDHBTUHX-SNVBAGLBSA-N 315.230 3.470 10 10 DGCE CC(C)c1nc([C@H](O)Cc2ccc(N)cc2)c(Br)[nH]1 2087591642 WSGPEDJFQKGESA-LLVKDONJSA-N 324.222 3.154 10 10 DGCE COc1ccc(Br)c(CN[C@H](C)C(C)(F)F)c1O 2220462081 GOMLCMJDVCAAJP-SSDOTTSWSA-N 324.165 3.297 10 10 DGCE COc1ncc(NCc2cccc(C)c2O)cc1Br 2232184258 SMZRXLYFTUBECG-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE CO[C@H](C)CCN(C)Cc1ccc(C)c(Br)c1O 2327570030 YOUCQIANBKFASZ-LLVKDONJSA-N 316.239 3.320 10 10 DGCE CCN(CCN=[N+]=[N-])C(=O)c1cc(Cl)c(Cl)nc1C 2337777149 RCOARYDDHAYLLW-UHFFFAOYSA-N 302.165 3.469 10 10 DGCE COc1ccc(N2CC[C@@H](C(=O)O)[C@@H]2c2cccc(F)c2)cc1 40442883 AIOSVWMQIOFBHT-SJORKVTESA-N 315.344 3.487 10 10 DGCE CN(Cc1cc(N)ccc1O)Cc1ccccc1Br 48892133 HXCQSXXHFGAYHV-UHFFFAOYSA-N 321.218 3.369 10 10 DGCE COc1ccc(Br)cc1COc1ccc(C)nc1N 50441096 IMODBBIEWFVLCN-UHFFFAOYSA-N 323.190 3.322 10 10 DGCE COc1ccc(N2CC[C@@H](CNCCc3ccccc3)C2)cc1 76360687 KOGLXDWMUAKFJO-SFHVURJKSA-N 310.441 3.354 10 10 DGCE CN[C@H](C)c1ccc(N(CCCOC)CCOC)cc1Cl 78905989 NEXJTNZGVSBWNX-CYBMUJFWSA-N 314.857 3.110 10 10 DGCE CN(C)c1ccc(CNC(=O)/C=C\c2ccc3c(c2)CCO3)cc1 96932088 ZVLXIMGVUUQYIA-POHAHGRESA-N 322.408 3.017 10 10 DGCE CC[C@@H](CSC)N(C)CCCC(=O)Nc1ccc(N)cc1 123753294 GSEKIRSSFDUTLY-HNNXBMFYSA-N 309.479 3.061 10 10 DGCE CC[C@@H](c1cc(Br)ccc1O)N1CCC[C@@H]1CN 131364179 BXNIIPLYTYLNRQ-YPMHNXCESA-N 313.239 3.029 10 10 DGCE CN(Cc1csc([C@@H]2CCCO2)n1)c1ccc2c(c1)OCO2 137177306 RAMKBFSIRCETRG-AWEZNQCLSA-N 318.398 3.360 10 10 DGCE CN(C[C@@H]1CCCOC1)c1ccc(CNC2CC2)cc1Cl 164084038 UHCDOMPVOUHKME-AWEZNQCLSA-N 308.853 3.455 10 10 DGCE Cc1cccc(-n2c(C)cc(C(=O)N[C@@H]3CCCOC3)c2C)c1 170937277 VHEHEOSVEFGMHN-MRXNPFEDSA-N 312.413 3.311 10 10 DGCE Cc1cc(O)ccc1NS(=O)(=O)/C=C/c1ccc(F)cc1 176711352 SWUNVOZBIFAKDB-CMDGGOBGSA-N 307.346 3.252 10 10 DGCE C[C@@H](NCc1ccoc1)c1ccc(N2CCC(O)CC2)cc1 178474330 IUQAGHAKLDIRQE-CQSZACIVSA-N 300.402 3.092 10 10 DGCE CC(C)N(Cc1ccccc1)C(=O)Nc1cc(O)c(O)c(O)c1 217278646 NNRKNXILDVGSAV-UHFFFAOYSA-N 316.357 3.246 10 10 DGCE C[C@H](Nc1cccnc1Br)c1c(O)cccc1O 235545922 SBHPPXQJHAPNNE-QMMMGPOBSA-N 309.163 3.428 10 10 DGCE COc1cccc(CNC(=O)N[C@@H]2[C@@H](C)CCC[C@H]2C)c1O 246048249 AMELHMVQRKZJDB-JYAVWHMHSA-N 306.406 3.025 10 10 DGCE CCOCCC1(CNCc2cc(Cl)c(F)cc2O)CC1 293550545 GZTPJCBIVUCIBQ-UHFFFAOYSA-N 301.789 3.481 10 10 DGCE CC[C@@H](NC[C@H]1c2ccccc2C(=O)N1C)c1ccccc1O 528009986 ZTURPXRQXSUGPL-SJORKVTESA-N 310.397 3.260 10 10 DGCE O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(O)c(O)c(O)c1 586737467 ITTYBDYSCWKFCT-UHFFFAOYSA-N 314.124 3.363 10 10 DGCE C[C@H](N)c1ccc(N(C)C(C)(C)CCO)cc1Br 688348457 QYZFWGYFCKVLHZ-JTQLQIEISA-N 315.255 3.066 10 10 DGCE C[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C)c1ccccc1O 721885572 XTVZAHWMOAKODY-KCQAQPDRSA-N 320.433 3.298 10 10 DGCE Cc1ncc(/C=C/C(=O)N2CCc3cc(F)c(F)cc32)s1 732732235 LCNSDNBAWQNKEJ-NSCUHMNNSA-N 306.337 3.332 10 10 DGCE C[C@H](NCCc1cnc(C2CC2)nc1)c1cc(F)cc(F)c1O 756768584 FDOHOTRZCPTCTQ-JTQLQIEISA-N 319.355 3.231 10 10 DGCE Cc1cc(O)c(CN(C)[C@@H]2CCN(c3ccccc3)C2=O)cc1C 769328827 COUFWXGJUUHJQS-GOSISDBHSA-N 324.424 3.246 10 10 DGCE Cc1cc(Br)c(O)c(CN(C[C@H](C)O)C(C)C)c1 781912767 QLLXQKWLYWGXAZ-NSHDSACASA-N 316.239 3.054 10 10 DGCE CCN(C(=O)/C=C/c1cncc(O)c1)c1ccc2[nH]ccc2c1 788551848 OMTYTTOQMDNUDU-ZZXKWVIFSA-N 307.353 3.335 10 10 DGCE COc1ccc(-c2cc(C)c(=O)n(Cc3ccc(N)cc3)c2)cc1 821180430 JXYOPALQQVZRCW-UHFFFAOYSA-N 320.392 3.463 10 10 DGCE Cc1cc(O)c(CNc2ccn(CC(F)F)n2)c(Cl)c1 840904629 CDVPZEKKESHQFI-UHFFFAOYSA-N 301.724 3.428 10 10 DGCE CC[C@H](N[C@@H]1CCN(C2CCC2)C1=O)c1cccc(Cl)c1O 858602855 KFHLDLCKZWWOCD-LSDHHAIUSA-N 322.836 3.240 10 10 DGCE CN(C)c1cc(F)c(CN2CCOC[C@@H]2c2ccco2)cc1F 862243334 HVBJGWGJBGSMCG-MRXNPFEDSA-N 322.355 3.197 10 10 DGCE CC[C@H](C[C@@H](C)O)N[C@@H](C)c1cc(Br)ccc1O 866635895 UVBJAUKOUPYNKT-JFGNBEQYSA-N 316.239 3.355 10 10 DGCE C[C@H]1c2ccccc2C[C@H]1NC(=O)N1Cc2cccc(O)c2C1 875733950 UVDRZUWKAYPILB-YVEFUNNKSA-N 308.381 3.146 10 10 DGCE Cc1cc(Br)cc(CNCC[C@H]2CCCO2)c1O 895807338 QVHJKGQQYOAVAW-CYBMUJFWSA-N 314.223 3.122 10 10 DGCE Cc1c(F)ccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1N 1138362232 BSUHAOCXCXXQLE-LBPRGKRZSA-N 315.392 3.273 10 10 DGCE C[C@H](NC(=O)NCc1c(O)cccc1F)[C@]12CCCC[C@H]1C2 1234447720 SEJHRCQTHDCKCD-NVGCLXPQSA-N 306.381 3.299 10 10 DGCE CCC1(CC)[C@@H](OC)C[C@H]1NC(=O)N[C@@H](C)c1ccccc1O 1312347036 CFTHRYDYTIROAV-MAZHCROVSA-N 320.433 3.346 10 10 DGCE Cn1cnc(/C=C/C(=O)N2CCSc3ccc(Cl)cc32)c1 1353158341 UMBUHJMCIGBXLG-HWKANZROSA-N 319.817 3.226 10 10 DGCE C[C@H](NC(=O)c1c(F)c(F)cc(F)c1F)c1ccccc1O 1471194581 LBEYCYDGNLKTNR-ZETCQYMHSA-N 313.250 3.440 10 10 DGCE CC(C)c1ccc(CN(C)C(=O)Cc2ccc(O)c(O)c2)cc1 1540733782 DTOZQMRYSWASMX-UHFFFAOYSA-N 313.397 3.422 10 10 DGCE Cc1cc(C)c2[nH]c(=Nc3cc(C(=O)O)ccc3O)sc2c1 1859857918 PTZFLMHNXUUDNF-UHFFFAOYSA-N 314.366 3.482 10 10 DGCE CCOC(=O)c1ccc(NN=NCCCN(CC)CC)cc1 1860488541 CHSMZPLQXZVYBC-UHFFFAOYSA-N 306.410 3.374 10 10 DGCE COc1ccc(CNCC=CCNC(=O)OC(C)(C)C)cc1C 1911670272 QDHIQGZTEWSGKV-UHFFFAOYSA-N 320.433 3.174 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)NCCOCc2ccccc2)CC1 1981602853 KXNLUSXSNBEXTN-OAHLLOKOSA-N 317.393 3.078 10 10 DGCE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](CNc1ccc(N)cc1)C2 1982132555 TXFGYMRVFGNWJT-KCXAZCMYSA-N 317.433 3.469 10 10 DGCE Cc1ccc(O)c([C@H](C)N[C@H]2CC[C@@H]2NC(=O)OC(C)(C)C)c1 1986712703 NDXWIUHFQCLZAA-QEJZJMRPSA-N 320.433 3.407 10 10 DGCE OCc1ccc(N2CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 2003090241 QMMFGPGEGHMAFE-UXHICEINSA-N 322.452 3.137 10 10 DGCE C[C@H]1C[C@@H](N(C)c2ccc(CO)cc2Br)CS1 2015478194 DHDNIFAUHOKCBJ-GXSJLCMTSA-N 316.264 3.272 10 10 DGCE Cc1ccc(CNCc2cnc(Br)s2)c(O)c1 2024808381 PZTMZMASUMHEEJ-UHFFFAOYSA-N 313.220 3.209 10 10 DGCE Nc1ccc(CCNc2cccc(Br)c2N)cc1 2071653443 FXFVYMSWIAQBLU-UHFFFAOYSA-N 306.207 3.268 10 10 DGCE CCN[C@@H](c1ccccc1O)c1c(Br)cnn1CC 2094275702 YLDIFGIYOGCRJQ-ZDUSSCGKSA-N 324.222 3.070 10 10 DGCE C[C@@H](N)c1cc(F)c(N2CC[C@@H](P(C)(C)=O)C2)c(F)c1 2194691923 SNKKQJROOVSVPZ-MWLCHTKSSA-N 302.305 3.186 10 10 DGCE COc1ccc(N2C[C@H](N)CC[C@H]2C(F)(F)F)cc1Cl 2203010866 OPKDGCQVAHBMNU-PELKAZGASA-N 308.731 3.207 10 10 DGCE OCc1ccc(N2CCC(OC(F)(F)F)CC2)cc1Cl 2238896915 OLUXERYTMACVLN-UHFFFAOYSA-N 309.715 3.338 10 10 DGCE CSc1ncc(CNC[C@@H]2Cc3cc(F)ccc3O2)s1 2284504215 KPTDQBSKNGYRRZ-NSHDSACASA-N 310.419 3.097 10 10 DGCE CSc1ncc(CN=c2ccc3ccc(C)nc3[nH]2)s1 2284635416 GYZPZRWUJORQNJ-UHFFFAOYSA-N 302.428 3.151 10 10 DGCE O=C1C(=Cc2cccnc2)SC(=S)N1Nc1ccccc1 2296007765 FIHKPCNNRDKJOQ-UHFFFAOYSA-N 313.407 3.310 10 10 DGCE CC1=NN(c2cccc(C(=O)O)c2)C(=O)C1=Cc1ccc(C)cc1 2297306765 GULXVTVVWSMVOU-UHFFFAOYSA-N 320.348 3.499 10 10 DGCE O=C(O)c1cccc(N=Nc2c(C(=O)O)nc3ccccn23)c1 2320768132 WQHPKROKNRQVSV-UHFFFAOYSA-N 310.269 3.146 10 10 DGCE COc1ccc(C2=NN(C)C(=O)C2=Cc2sccc2C)cc1 2332127696 YTHSVPUDYADWBN-UHFFFAOYSA-N 312.394 3.325 10 10 DGCE COc1cc(C(=O)N2CCC[C@H](N=[N+]=[N-])C2)sc1Cl 2340262431 GFNYUUKVUXYAEL-ZETCQYMHSA-N 300.771 3.325 10 10 DGCE CCc1cc(NCc2ccc(C)c(Br)c2O)n(C)n1 2352641440 TUJUKUMGVMFIGR-UHFFFAOYSA-N 324.222 3.371 10 10 DGCE C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)NCc1ccc(N(C)C)cc1 111430905 RVWXOMIGAFLOCQ-AUUYWEPGSA-N 323.440 3.485 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@@H](C)C2CCOCC2)cc1 179317305 HDYMQPGPTRCSBG-HNNXBMFYSA-N 318.461 3.212 10 10 DGCE COC(=O)/C=C/c1ccc(N2CC[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 301491974 OQGWNEVBOATVIW-GAEWNOSXSA-N 304.346 3.016 10 10 DGCE CC(C)c1nnc2n1CCN(Cc1cc(Cl)ccc1O)[C@H]2C 188450062 GXIBMOISVCKNFH-NSHDSACASA-N 320.824 3.337 10 10 DGCE Nc1ccc(CC(=O)NC2(c3ccc(Cl)cc3)CC2)cc1 71699606 GIQAAJVFIBYGCA-UHFFFAOYSA-N 300.789 3.270 10 10 DGCE CCCn1cc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)cn1 182580024 UJIUZVJPBQYPRP-HNNXBMFYSA-N 314.433 3.303 10 10 DGCE CCN1CC[C@@H](CN[C@H](C)c2cc3c(cc2O)CCCC3)C1 248488724 GWDWINPSXOSFOZ-CABCVRRESA-N 302.462 3.263 10 10 DGCE COc1cc(OC)c(N2CCN3CCCC[C@H]3C2)cc1Cl 250282991 OELMJPSZHAVLOF-LBPRGKRZSA-N 310.825 3.032 10 10 DGCE COc1ccc(N(Cc2ccc(OC)nn2)[C@H](C)C2CC2)cc1 283290083 XXWVARUGKSXVRI-CYBMUJFWSA-N 313.401 3.299 10 10 DGCE Oc1cc2c(cc1CN[C@H]1Cc3ccc(Cl)cc3C1)OCO2 800286612 NPAKBVZJQJDTRW-AWEZNQCLSA-N 317.772 3.031 10 10 DGCE CN(Cc1ccccc1-c1ccnn1C)c1ccc2c(c1)OCO2 816566056 KJDYRYXBWFIAIO-UHFFFAOYSA-N 321.380 3.452 10 10 DGCE CN(C)c1ccc(/C=C\CNC[C@]2(O)CCc3ccccc32)cc1 835040121 ACCMQVLBQGCFKW-QEVIJRNUSA-N 322.452 3.189 10 10 DGCE CC[C@@H]1CN(Cc2c(O)cc(C)cc2Cl)C[C@H](C)[S@]1=O 840948284 NKFWKVFMQUHATD-XXRNEEKGSA-N 315.866 3.085 10 10 DGCE Oc1ccc(Cl)c(F)c1CN[C@H](C1CCOCC1)C1CC1 846043042 UTHMBAYZXLQPOV-INIZCTEOSA-N 313.800 3.480 10 10 DGCE O=C(C[C@@H]1CCC(F)(F)C1)NCc1cc(Cl)ccc1O 846473082 IKZXWGADISQIBA-VIFPVBQESA-N 303.736 3.487 10 10 DGCE Nc1ccc(CNC(=O)[C@@H]2[C@H]3Cc4c(Cl)cccc4[C@@H]32)cc1 859594043 OIIZKRBMPRNIMK-BHYGNILZSA-N 312.800 3.124 10 10 DGCE Cc1ccsc1[C@H]1C[C@H]1C(=O)NCc1c(O)cccc1F 928705511 KQJOMGIFSSEKLB-WDEREUQCSA-N 305.374 3.321 10 10 DGCE Cc1ccc(/C=C/C(=O)N2C[C@H](C)Oc3cc(F)ccc32)cn1 754308180 NOSNWRWCJVUQGL-LJLILKBBSA-N 312.344 3.356 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCCC[C@H]3C)C2)cc1 855225055 NMEUQWZOLGGRKL-RVKKMQEKSA-N 316.445 3.216 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)C1(C(F)F)CCCC1 862026380 MLMXIOYVRJCPQU-UHFFFAOYSA-N 320.339 3.382 10 10 DGCE CCOC(=O)c1cc(CN[C@@H](C)c2cc(Cl)ccc2O)on1 866515217 DIBLUONDXKMDDI-VIFPVBQESA-N 324.764 3.061 10 10 DGCE CC[C@H]1CN(c2ccccc2)CCN1C(=O)c1cc(O)cs1 764484154 MIRVYGHFLVDEDI-ZDUSSCGKSA-N 316.426 3.195 10 10 DGCE Cc1cc(Br)cc([C@@H](C)N[C@H](C)C(C)(C)O)c1O 779041644 WRWPPQMPAGQTME-NXEZZACHSA-N 316.239 3.273 10 10 DGCE Cc1cc(Br)c(O)c(CN[C@@H]2CCCSC2)c1 781917763 HCVNYFFZFZBDHN-LLVKDONJSA-N 316.264 3.448 10 10 DGCE COc1cc(C)cc(CN[C@H](C2CCC2)[C@@H]2CCOC2)c1O 895453367 BZPGGTRAJAKNLZ-RHSMWYFYSA-N 305.418 3.004 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)CN(C)CC(C)(C)C 1149880367 IQTDGPTWFVHJDR-UHFFFAOYSA-N 306.450 3.109 10 10 DGCE C[C@@H]1CCN(CCCCN=[N+]=[N-])C[C@@H]1NC(=O)OC(C)(C)C 1962298750 HYWOXZHMJIFDAK-OLZOCXBDSA-N 311.430 3.312 10 10 DGCE CC[C@@H]1CN(Cc2ccc(F)cc2)c2ccc(CN)cc2O1 74337791 UVTYGNOBBLZWGK-MRXNPFEDSA-N 300.377 3.462 10 10 DGCE O=C(NCc1cccc(O)c1O)c1ccc(F)c(C(F)F)c1 1176576586 OIABMRBQHWNBPH-UHFFFAOYSA-N 311.259 3.105 10 10 DGCE Cc1ncc(CNCc2cccc(Br)c2O)s1 42412607 NBGQNTXCMYRYIE-UHFFFAOYSA-N 313.220 3.209 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)c1cccnc1[N+](=O)[O-] 1184710440 GRUCAVTZSWEAPK-UHFFFAOYSA-N 312.373 3.226 10 10 DGCE CN(C)c1ccc(CNC(=O)c2ccnc(-c3ccco3)c2)cc1 1264262194 WWZSTQHGZQXAJH-UHFFFAOYSA-N 321.380 3.338 10 10 DGCE CCN1C(=O)C(=CNCc2ccccc2Cl)SC1=S 2293863911 SLPNBABXOQJPCP-UHFFFAOYSA-N 312.847 3.151 10 10 DGCE CCNCc1ccc(N2C[C@@H]3C[C@@H]3[C@H]3C[C@H]32)c(Br)c1 2117424718 QFOFFWNGWUMKKF-BCUIYNNISA-N 321.262 3.403 10 10 DGCE Cc1cc(C(=O)N(C)C[Si](C)(C)C)c(C)n1-c1ccccn1 1469690673 ZQTFPSYAIICTJM-UHFFFAOYSA-N 315.493 3.439 10 10 DGCE C[C@H](NC(=O)c1cnc(O)c2ccccc12)c1ccccc1O 1557967507 FUBNMSSGVKGYDF-NSHDSACASA-N 308.337 3.137 10 10 DGCE O=C(NCc1ccc(O)c(O)c1)c1ccc(C(F)F)cc1F 1631435037 XPIMWUSQZUPKTJ-UHFFFAOYSA-N 311.259 3.105 10 10 DGCE CC(C)CN1CCC[C@H]1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 1633315528 RYILQBXTYFQXGA-YJBOKZPZSA-N 317.477 3.050 10 10 DGCE O=C(NCc1cc(O)ccc1O)C1CC(c2ccc(F)cc2)C1 1643881686 BKGXESCCJIOTFN-UHFFFAOYSA-N 315.344 3.047 10 10 DGCE CC[C@@H](C)Oc1cc(C(=O)N[C@@H](C)c2ccccc2O)ccn1 1642831304 WGFWMACZYOSLMZ-OLZOCXBDSA-N 314.385 3.456 10 10 DGCE COC(=O)/C=C/c1ccc(N2CCC=C(Cl)C2)c([N+](=O)[O-])c1 1655629616 AYRNAUYZGVJODE-FNORWQNLSA-N 322.748 3.114 10 10 DGCE Cc1cnn([C@@H]2CCCN(Cc3cc4c(cc3O)CCC4)C2)c1 152935182 NQUZDVXURQLCPI-GOSISDBHSA-N 311.429 3.223 10 10 DGCE CC(C)(C)OC(=O)N1CCC(OCOc2ccc(N)cc2)CC1 1952177991 XGNDMUOKPHEGNC-UHFFFAOYSA-N 322.405 3.021 10 10 DGCE CN[C@@H](c1ccccc1O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 259965202 RKYGAZHHDDHMGY-CZUORRHYSA-N 320.433 3.300 10 10 DGCE Oc1c(Br)cccc1CN[C@@H]1C[C@@H]1C(F)(F)F 1998615070 PKYXYKYHLXRPOB-IONNQARKSA-N 310.113 3.195 10 10 DGCE COC[C@@H]1CCCN1Cc1cc(Br)cc(C)c1O 696560400 ABIQEVDEOZUCOX-ZDUSSCGKSA-N 314.223 3.074 10 10 DGCE Oc1cccc(CNCc2ccsc2Br)c1O 388547001 IJIHISBGDUYVRH-UHFFFAOYSA-N 314.204 3.212 10 10 DGCE CCCN[C@@H]1C[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2[C@@H]1Sc1nccs1 2174471531 JZODNNROURATBB-FAYOZSNISA-N 310.488 3.169 10 10 DGCE COc1cccc(O)c1[C@@H](C)n1nc(C2CCCC2)cc1CN 2070137930 HBYFKGZQYPQKGH-GFCCVEGCSA-N 315.417 3.323 10 10 DGCE CCc1nn(Cc2c(O)cccc2Br)c(N)c1CC 2079637757 MFLSNQMTHVEOSU-UHFFFAOYSA-N 324.222 3.107 10 10 DGCE COc1ccc([C@@H](C)n2nc(C3CC3)c(CN)c2Cl)c(O)c1 2080024292 IICAKBFFAKVDLY-SECBINFHSA-N 321.808 3.196 10 10 DGCE Oc1cc(Br)ccc1CNCCSC(F)F 2210130483 AKWAZJXNKDOWRE-UHFFFAOYSA-N 312.179 3.200 10 10 DGCE OCc1ccc(N2CCC[C@@H]2C(F)(F)F)cc1Br 2083838923 OITJQLQCYAGWBP-LLVKDONJSA-N 324.140 3.473 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@](C)(F)[C@](C)(Br)C2)cc1 2084856238 MHTSCFLNRSVBCM-HONMWMINSA-N 316.214 3.442 10 10 DGCE Cc1ccc([C@@H](O)[C@H](N)c2ccccc2O)c(Br)c1 2091868683 UEUJKWMKAYYTNQ-HUUCEWRRSA-N 322.202 3.197 10 10 DGCE COc1ccc2nc(C=C3SC(=S)N(C)C3=O)ccc2c1 2297471546 LEIKFMPPPCYDFH-UHFFFAOYSA-N 316.407 3.074 10 10 DGCE Cc1ccc(CNC(=O)[C@@H](C)C(C)C)c(O)c1Br 2327585728 IIPHZMHBFVMJAV-JTQLQIEISA-N 314.223 3.371 10 10 DGCE COc1cccc2c1C(=O)c1c(ccc(CC(C)C)c1O)C2=O 13454720 XZQGIFIIFDCRPF-UHFFFAOYSA-N 310.349 3.375 10 10 DGCE CC[C@H](c1cc(Br)ccc1O)N1CCC[C@H](N)C1 41027856 IAVHJERMJFDJHK-WCQYABFASA-N 313.239 3.029 10 10 DGCE Cc1nc(COC(=O)c2cc(C)n(-c3ccccc3)c2C)no1 72992061 MTLBFDJPCIWYDF-UHFFFAOYSA-N 311.341 3.143 10 10 DGCE COc1cccc(CNC(=O)[C@H]2C[C@H]2c2ccccc2C)c1O 77613927 VXIXWFZSDLDARW-HOTGVXAUSA-N 311.381 3.129 10 10 DGCE C[C@H](c1ccccc1O)N1CCc2sccc2[C@@H]1C(=O)O 86808559 OYWWYKBZLLVPRX-MEBBXXQBSA-N 303.383 3.199 10 10 DGCE CSc1ccc(CC(=O)NCc2ccc(N(C)C)cc2)cc1 116621376 RBXXPPVSTUWAFT-UHFFFAOYSA-N 314.454 3.333 10 10 DGCE CC[C@H]1SCCS[C@@H]1c1noc(-c2cccc(O)c2O)n1 126888883 PDRXJLVQIJAFAN-PWSUYJOCSA-N 324.427 3.448 10 10 DGCE C[C@H](CS(=O)(=O)Nc1ccc(O)c(F)c1)c1ccccc1 149450123 YFFFVZJTLRFWPC-LLVKDONJSA-N 309.362 3.077 10 10 DGCE CCOc1ccc(O)c(CN[C@@](C)(COC)c2ccccc2)c1 154681285 CZXUFKLWLZWHGI-IBGZPJMESA-N 315.413 3.442 10 10 DGCE C[C@H](N)c1ccc(N2CC[C@@H]3[C@H](CCCN3C)C2)c(Cl)c1 166675957 XDJOCNJMBOCPLG-JGGQBBKZSA-N 307.869 3.280 10 10 DGCE Cc1cc(C(=O)N[C@H]2CCCOC2)c(C)n1-c1ccc(F)cc1 170936967 MOXVOTRQYJOWFH-HNNXBMFYSA-N 316.376 3.142 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)NCCc2ccsc2)c1 171734119 DEMWJWRGCLBUJA-LLVKDONJSA-N 320.414 3.065 10 10 DGCE C[C@H](Cc1ccsc1)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 181156902 UIEYUFXCRTWGAV-FVOPLDGLSA-N 317.410 3.262 10 10 DGCE COc1ccc(O)c([C@@H](C)N[C@@H](C)c2ccncc2OC)c1 188796918 LKNXYFWFLUCPQV-NWDGAFQWSA-N 302.374 3.216 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)Cc1ccc(O)c(OC)c1 194972481 KCXZNIWHXBEJIX-UHFFFAOYSA-N 314.429 3.489 10 10 DGCE CCN[C@H]1C(=O)Nc2cc(N3CCC[C@@H](C)C3)c(Cl)cc21 221188671 AQCUHQOQLMEHFR-MEBBXXQBSA-N 307.825 3.179 10 10 DGCE CN[C@@H](C)c1ccc(N2CCC[C@@H](C(F)(F)F)C2)cc1O 225213209 QGFALEDDKHMRKE-WDEREUQCSA-N 302.340 3.451 10 10 DGCE [N-]=[N+]=NCCCCNC(=O)c1ccc(Br)cc1F 231731541 VLLBIPCKQHXJRF-UHFFFAOYSA-N 315.146 3.409 10 10 DGCE CC(C)N(C(=O)/C=C\c1ccc(N2CCOCC2)cc1)C(C)C 255303258 WMTWCAUPJGPGRU-YFHOEESVSA-N 316.445 3.182 10 10 DGCE CCC1(CO)CCN(Cc2cc(Cl)c(F)cc2O)CC1 295328418 LTBGJDXYPVQCSB-UHFFFAOYSA-N 301.789 3.169 10 10 DGCE C[C@H](N[C@@H]1CCc2nc[nH]c2C1)c1ccc2ccccc2c1O 368098637 CFXMXNDSBGWIHQ-GXTWGEPZSA-N 307.397 3.477 10 10 DGCE CN1CCCc2cc(CNCCOCc3ccccc3)ccc21 390044180 AHUDVFOIBMKEQE-UHFFFAOYSA-N 310.441 3.375 10 10 DGCE Nc1ccc(CCCNCc2cnn(Cc3ccccc3)c2)cc1 390117711 DDSHRLRSJNQCIJ-UHFFFAOYSA-N 320.440 3.236 10 10 DGCE CC(C)NCc1ccc(N(C)[C@@H](C)C[S@](C)=O)cc1Cl 398898838 PZDDVSQMVRPSMV-YUNKPMOVSA-N 316.898 3.041 10 10 DGCE CCNCc1ccc(N2CCC(F)CC2)c(Br)c1 689393372 PVPZEROWPJYNHF-UHFFFAOYSA-N 315.230 3.497 10 10 DGCE CCOC(=O)[C@H](NCCN=[N+]=[N-])c1cc2cscc2s1 703286847 RKBQNFONPOAUDN-LLVKDONJSA-N 310.404 3.467 10 10 DGCE C[C@H]1[C@@H](C)O[C@H](C)CN1Cc1cc(C(C)(C)C)cc(O)c1O 783539838 DCEOFHVRXLQKBS-FRRDWIJNSA-N 307.434 3.393 10 10 DGCE O=C(NCc1cc(Br)ccc1O)C12CCC(CC1)C2 804735399 XHPYQBLRCRUCCA-UHFFFAOYSA-N 324.218 3.351 10 10 DGCE Cc1cc(Cl)cc(CN[C@H](C2CC2)[C@@H](CO)C2CC2)c1O 824845835 NJVHYYTVHXADHQ-JKSUJKDBSA-N 309.837 3.241 10 10 DGCE CN(C)c1ccc(CN(C(=O)N[C@H]2C[C@@H]3C[C@@H]3C2)C2CC2)cc1 824860405 UHRDSFSVYYLDPZ-MUJYYYPQSA-N 313.445 3.225 10 10 DGCE Cc1cccc(NCCNC/C=C/c2ccc(N(C)C)cc2)n1 835044819 PNOYXUAIJMSLQR-FNORWQNLSA-N 310.445 3.171 10 10 DGCE COc1cccc([C@H](C)N[C@H](C)[C@@H](O)c2ccccc2)c1O 846169556 FEBIWLGPNUCOOB-OGHNNQOOSA-N 301.386 3.174 10 10 DGCE C[C@@H]1CC[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)CS1 848520724 JZFNYUCOIDWCKW-UKRRQHHQSA-N 324.465 3.036 10 10 DGCE Fc1cc(CN[C@H]2CCCC23CC3)cc(F)c1N1CCOCC1 850475416 XSEVZELHKYEFQC-INIZCTEOSA-N 322.399 3.224 10 10 DGCE CC[C@@H](C[C@H](C)O)NCc1cc(C)cc(Br)c1O 865873737 HNBGHGNLDCAHBQ-JQWIXIFHSA-N 316.239 3.102 10 10 DGCE C[C@@H]1O[C@H](C)C[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O 868357430 XJQMULFTLTYFSA-VHSKPIJISA-N 318.200 3.129 10 10 DGCE C[C@H](NCc1ccc2oc(O)nc2c1)c1ccc(N(C)C)cc1 872123656 SVQYBNJBUUTODE-LBPRGKRZSA-N 311.385 3.450 10 10 DGCE COc1cc(C)cc(CNC[C@H]2CCO[C@H](C(C)C)C2)c1O 894898708 IJLLWLBLAZDWNE-HOCLYGCPSA-N 307.434 3.250 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCCCO1 1467270351 SIWVRPVZIGSJTQ-UHFFFAOYSA-N 312.369 3.074 10 10 DGCE O=C(Nc1c(Cl)ccc2nonc12)c1cccc(Cl)c1O 1520359787 WHUQUWYJLODSGL-UHFFFAOYSA-N 324.123 3.488 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccn2)cc1 1542321870 LEEZTYJDXGJPSA-OAHLLOKOSA-N 323.356 3.221 10 10 DGCE CC(=O)c1cccc(CNC(=O)N[C@H](C)c2ccccc2O)c1 1565008594 VUZUJYIQWKNEBM-GFCCVEGCSA-N 312.369 3.155 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)CC(C1CC1)C1CC1 1568735886 MOKODGNZSIUMQP-UHFFFAOYSA-N 308.418 3.320 10 10 DGCE CCOc1ccccc1C(=O)NCc1cccc(Cl)c1O 1606860193 GVZTVKWSNGUUPS-UHFFFAOYSA-N 305.761 3.374 10 10 DGCE O=C(NCc1cccc(O)c1O)c1ccc(C(F)F)c(F)c1 1637045599 HXCQEQKCSRBBPV-UHFFFAOYSA-N 311.259 3.105 10 10 DGCE COC(=O)/C=C/c1ccc(N2CC(C)(C)C[C@H]2C)c([N+](=O)[O-])c1 1651150983 DPCMPZNMLLEZBO-WAFBPQNNSA-N 318.373 3.406 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN(S(=O)(=O)c2ccsc2Cl)C1 1912145306 FTYKSBUCBFRRFY-QMMMGPOBSA-N 320.827 3.113 10 10 DGCE NCc1ccc(N2[C@H]3CC[C@H]2CSC3)c(C(F)(F)F)c1 1914597089 WQDNXJUKZHRRES-QWRGUYRKSA-N 302.365 3.248 10 10 DGCE COc1ccc(N(Cc2ccccc2)[C@@H](CO)C2CC2)c(N)c1 1915159443 OGHPGDYIKQCNMB-IBGZPJMESA-N 312.413 3.055 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([C@@H](N)c2ccccc2O)C1 1936970216 JVJXENIRFLBUFT-WOSRLPQWSA-N 320.433 3.476 10 10 DGCE CCN[C@H](c1ccccc1O)C1(CNC(=O)OC(C)(C)C)CC1 1936972096 ZZUFRWINFSNLNG-OAHLLOKOSA-N 320.433 3.348 10 10 DGCE C[C@@H]1CCS[C@H]1CNCc1cc(Br)ccc1O 1945606859 CGEKWPMWCHQPKZ-RNCFNFMXSA-N 316.264 3.386 10 10 DGCE C[C@H]1CCS[C@@H]1CNCc1cc(Br)ccc1O 1945606860 CGEKWPMWCHQPKZ-TVQRCGJNSA-N 316.264 3.386 10 10 DGCE CCc1cccc(CN[C@]23C[C@@H]2CN(Cc2ccccc2)C3)c1O 1950090097 NSEVNJIAANIAND-CTNGQTDRSA-N 322.452 3.319 10 10 DGCE CC(C)(C(=O)O)[C@H](N)c1c(O)c(Cl)cc(Cl)c1Cl 1951860128 NLHKHXXSEYTXOF-SECBINFHSA-N 312.580 3.463 10 10 DGCE CC(C)(C)OC(=O)NC[C@@](C)(O)c1ccc(N2CCCC2)cc1 1977935254 OFYSFSHRWJESSQ-GOSISDBHSA-N 320.433 3.019 10 10 DGCE COc1ccc(CN[C@H]2C[C@@H]2CNC(=O)OC(C)(C)C)cc1C 1984414537 HBEXTWCQCBCGGH-CABCVRRESA-N 320.433 3.006 10 10 DGCE CC(C)(C)OC(=O)N[C@@]12CCC[C@H]1CN(c1ccc(N)cc1)C2 1992128599 YECSSTXFYQCMBY-SCLBCKFNSA-N 317.433 3.152 10 10 DGCE CC[C@@]1(C)CCN1c1cc(Br)c(CN)cc1F 2007184015 FTTCEPZNAJCADN-ZDUSSCGKSA-N 301.203 3.426 10 10 DGCE CN(C[C@@H]1CC[C@@H]2C[C@H]21)c1ccc(CO)cc1Br 2040239054 FGQFOESCNWQNAG-FRRDWIJNSA-N 310.235 3.424 10 10 DGCE C[C@H](N)c1ccc(N2C[C@H]3C[C@H]2[C@@H]2C[C@@H]32)c(Br)c1 2041531837 CTWIJFZGOBJDKG-HBKJAXODSA-N 307.235 3.313 10 10 DGCE C[C@@H]1CO[C@@H](CN(C)Cc2cc(Br)ccc2O)C1 2047506296 MEWPFWIJXDMLSM-GXFFZTMASA-N 314.223 3.012 10 10 DGCE COC1(CN(C)c2ccc([C@H](C)O)cc2Br)CC1 2048925054 LGDJOWUNSFDTOA-JTQLQIEISA-N 314.223 3.118 10 10 DGCE Oc1c(Br)cccc1CN[C@@H]1[C@@H]2CCC(F)(F)[C@H]21 2051228774 FJGDMCJLXFGDGQ-FBIMIBRVSA-N 318.161 3.288 10 10 DGCE Nc1ccc(C[C@H](O)c2c(F)cccc2Br)cc1 2053179648 WXJAVWLSSVSPQN-ZDUSSCGKSA-N 310.166 3.447 10 10 DGCE CC[C@]1(C)C[C@@H](NCc2cc(Br)ccc2O)CO1 2069118308 RLBQBAXYMVKGNF-TZMCWYRMSA-N 314.223 3.202 10 10 DGCE O=C(O)c1cc(C2CCCCC2)n(-c2ccc(O)c(O)c2)n1 2069855774 BZZUCVCIGXJASM-UHFFFAOYSA-N 302.330 3.029 10 10 DGCE CN(Cc1cc(Br)ccc1O)C[C@]1(C)CCCO1 2071883438 NQVXTAOHLZQQTP-AWEZNQCLSA-N 314.223 3.156 10 10 DGCE Cc1ncnc(N[C@@H](C)c2ccccc2O)c1Br 2072484903 RMXJZYFYILRKCU-QMMMGPOBSA-N 308.179 3.426 10 10 DGCE [N-]=[N+]=NCC1(CNC(=O)c2nc(Cl)ccc2Cl)CC1 2117726430 AGTPZBXGHKOWHX-UHFFFAOYSA-N 300.149 3.209 10 10 DGCE CN[C@](CO)(CSc1nccs1)C1CCCCCC1 2142998800 QIXXOZIHPMPACH-CQSZACIVSA-N 300.493 3.156 10 10 DGCE CN(C)c1ccc([C@H](O)c2csc(C(F)(F)F)n2)cc1 2144130731 QHDRKSZMSJVEPD-NSHDSACASA-N 302.321 3.310 10 10 DGCE C[C@H](Cc1ccnn1C)NCc1cc(Cl)cc(Cl)c1O 2174318987 XXOSOAFVGBLBHY-SECBINFHSA-N 314.216 3.153 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)N[C@@H](c1ccccc1)C1CC1 2307982216 TWYZUOLUXKDAPS-IBGZPJMESA-N 309.365 3.379 10 10 DGCE COC(=O)Cc1nc2ccc(C)cn2c1N=Nc1cccc(O)c1 2320768597 IATNUGIZKVMLDS-UHFFFAOYSA-N 324.340 3.479 10 10 DGCE CC(C)CC1=NN2C(=N)/C(=C/c3ccccc3)C(=O)N=C2S1 121341 YPMYJWIMMZZQCF-VOBDGNOHSA-N 312.398 3.352 10 10 DGCE CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccccc3)c2C)C1=O 33308118 MSAXXISAUSUAFZ-LFIBNONCSA-N 309.369 3.007 10 10 DGCE C[C@H]1CN(c2c(F)cc(/C=C/C(=O)O)cc2F)C[C@@H](C)S1 70384718 WPKHCQNVJJFFBJ-LDYOUVJNSA-N 313.369 3.393 10 10 DGCE c1cc(N2CCOCC2)ccc1CNc1ccc2c(c1)COC2 92854690 BVUYAFJJWMRRDJ-UHFFFAOYSA-N 310.397 3.166 10 10 DGCE CC[C@H]1CCCCCN1c1cc2c(cc1Cl)[C@H](N)C(=O)N2 125175453 QDPNHLALKICXLZ-BONVTDFDSA-N 307.825 3.451 10 10 DGCE CC[C@@H](N[C@@H]1CCN(c2ccccc2)C1=O)c1ccccc1O 183312564 PTHJQGAVALXIJF-IAGOWNOFSA-N 310.397 3.238 10 10 DGCE Cc1cc(C)c(O)c(CN2CCn3c(C(C)C)nnc3[C@H]2C)c1 190226666 HWGMAGDSWPHKQI-CQSZACIVSA-N 314.433 3.301 10 10 DGCE CN(C)c1ccc(CN[C@@H](c2ncc[nH]2)c2cccs2)cc1 194966657 NUYFGNZEKQDTEW-MRXNPFEDSA-N 312.442 3.416 10 10 DGCE O=C1NC(=O)/C(=C/C(Br)=C\c2ccccc2)S1 214293494 WMXCISXAYFYHAU-FPXDHTHPSA-N 310.172 3.289 10 10 DGCE Cc1cccc(CNCCCN(C)C(=O)OC(C)(C)C)c1O 224796259 IVSKGQUEGHVXII-UHFFFAOYSA-N 308.422 3.047 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1NCc1cc(F)ccc1O 232502881 IGYHGSZLJRXEJK-KGLIPLIRSA-N 324.396 3.067 10 10 DGCE CNCc1ccc(N2CCS[C@H](C)C2)c(Br)c1 234371484 CBVNYFXYULXGNS-SNVBAGLBSA-N 315.280 3.110 10 10 DGCE Oc1ccc(CNc2cc(Cl)c(O)c(Cl)c2)c(O)c1O 236594497 SNJKDKOBCUVHCW-UHFFFAOYSA-N 316.140 3.428 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CCCC(F)(F)C2)c1O 404775880 STHMAGDNSGOTSS-UHFFFAOYSA-N 303.736 3.479 10 10 DGCE Oc1ccccc1CNCc1c(O)cccc1Br 706871527 COVPPTQSUMXVTO-UHFFFAOYSA-N 308.175 3.150 10 10 DGCE C[C@H](O)c1ccc(N2CCO[C@H](C)CC2)cc1Br 720412989 HRKFSGYFPYPCOH-MNOVXSKESA-N 314.223 3.118 10 10 DGCE C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1cc(O)cs1 732284633 VLIVAJRZAIAPIV-BXUZGUMPSA-N 303.383 3.056 10 10 DGCE COc1cccc([C@H](C)OC(=O)/C=C\c2ccc(O)c(O)c2)c1 784285803 DSHXJAMGVRABTD-UPZNUWHASA-N 314.337 3.424 10 10 DGCE Cc1cc(Cl)cc(CN(C)C[C@H](O)Cc2ccccc2)c1O 816625067 PYJGHCXJBSVNRC-QGZVFWFLSA-N 319.832 3.389 10 10 DGCE C[C@H](N[C@H]1CNCC[C@@H]1C)c1cccc(C(F)(F)F)c1O 817969026 PQMOSSFGIPUGEW-KWBADKCTSA-N 302.340 3.060 10 10 DGCE CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC23CC3)cc1F 823007592 ZQOQVTVPCHGKPM-OAHLLOKOSA-N 305.397 3.024 10 10 DGCE C[C@H](NC/C=C\c1ccc(N(C)C)cc1)C(=O)Nc1ccccc1 835040379 OWCRUTFBDFXWAJ-PTZVLDCSSA-N 323.440 3.383 10 10 DGCE Cc1cc(O)c(CNCc2c(C3CC3)cnn2C)c(Cl)c1 850379272 JNWSJHIKBKXKLD-UHFFFAOYSA-N 305.809 3.255 10 10 DGCE CC[C@H](NC[C@@H]1CCC(=O)N1)c1ccc(Cl)c(Cl)c1O 850548235 ZWMMLCWCMUZTIG-KWQFWETISA-N 317.216 3.018 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@@H](C)[C@@H]3C[C@H]3C3CC3)C2)cc1 858187371 TXSHRAYYRZDCNO-UAFONNFLSA-N 300.446 3.298 10 10 DGCE Cc1ccc(O)c(CNC(=O)N[C@H]2C[C@@]2(F)c2ccccc2)c1 858554808 SPKHOKHMPDIPAV-FUHWJXTLSA-N 314.360 3.137 10 10 DGCE CCOc1ccc(O)c(CN2CC[C@H](c3nccs3)C2)c1 895583589 LXNVFEVPFXPWCS-LBPRGKRZSA-N 304.415 3.237 10 10 DGCE O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1cc2cc(O)c(O)cc2s1 897963416 ZCCWEDMWKOJKGS-DVVUODLYSA-N 303.383 3.231 10 10 DGCE C[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)[C@H](C)[C@H]1C 897989706 PORIVGVXTVYRMX-KXUCPTDWSA-N 305.399 3.429 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@H]2C[C@@H]3OC(C)(C)O[C@@H]3C2)cc1 922869115 FFJDASPMNMTPRA-IKUSVQGKSA-N 316.445 3.038 10 10 DGCE CCCn1nccc1C(=O)NCc1c(O)ccc2ccccc12 1179032418 GDWQMOBRSGBSRI-UHFFFAOYSA-N 309.369 3.082 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCC[C@@]12CCCNC2 1222236854 BYYMXCVXJFOOHY-OAHLLOKOSA-N 315.244 3.417 10 10 DGCE Cc1ncccc1/C=C/C(=O)N1CCCc2ccc([N+](=O)[O-])cc21 1264967195 COFBTBJOUNITSR-VQHVLOKHSA-N 323.352 3.291 10 10 DGCE Cc1cc(C)cc(CCC(=O)NCc2c(O)cccc2F)c1 1456030323 SCYUQEYXYYJZAI-UHFFFAOYSA-N 301.361 3.397 10 10 DGCE CC(=O)N(C)c1ccc(NCc2cc(F)cc(F)c2O)cc1 1620817452 WORUDPGRKXJBQQ-UHFFFAOYSA-N 306.312 3.265 10 10 DGCE O=C(NCC1CCc2ccccc2CC1)c1cccc(O)c1O 1630344513 QKSIIJZACPSHAQ-UHFFFAOYSA-N 311.381 3.023 10 10 DGCE CN(C)c1cccc(C(=O)NCc2cccc(Cl)c2O)c1 1637219226 YSSRQRCRIOHRGU-UHFFFAOYSA-N 304.777 3.042 10 10 DGCE Cc1c(NC(=O)/C=C/c2ccc(O)c(O)c2)ccc(F)c1F 1637856009 NYGRBWRCQXFQSR-XVNBXDOJSA-N 305.280 3.336 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2ccc(-n3cccn3)c(C)c2)c1 1641732462 BVMNWNAYLKKOPK-UHFFFAOYSA-N 321.380 3.125 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2C[C@@H]1CCCC(C)(C)O1 1642567454 PUPOUKKXDPGONH-HNNXBMFYSA-N 304.434 3.299 10 10 DGCE C[C@H](NC(=O)/C=C/c1cnc2ccccc2n1)c1ccccc1O 1642827802 RFEGYXNUVDGGQE-NHAQELONSA-N 319.364 3.226 10 10 DGCE COC(=O)c1cc(OC[C@H]2CCC(C)(C)CO2)ccc1N(C)C 1644179039 MAKNHFQTCNWVBD-CQSZACIVSA-N 321.417 3.123 10 10 DGCE Cc1cccc(-n2c(C)cc(CNC(=O)c3nonc3C)c2C)c1 1648611949 RWAHWLPTLVAWHD-UHFFFAOYSA-N 324.384 3.024 10 10 DGCE CCOCCOC(=O)CCn1c2c(c3ccccc31)CCCC2 1849692984 IXEGUZTUFRGHHI-UHFFFAOYSA-N 315.413 3.490 10 10 DGCE C[C@H](O)CN(Cc1ccccc1)c1ccc([C@H](C)O)cc1F 1914610985 VYNVRRLSAPSNSE-KBPBESRZSA-N 303.377 3.266 10 10 DGCE CCCN[C@H](c1ccccc1O)[C@H](C)NC(=O)OC(C)(C)C 1928475750 BDZAXLHGGREFMW-WFASDCNBSA-N 308.422 3.346 10 10 DGCE CC1(C)CC(NC(=O)OC(C)(C)C)([C@H](N)c2ccccc2O)C1 1937814116 LJHBGTCCDVRPDX-CQSZACIVSA-N 320.433 3.476 10 10 DGCE CN(CCc1ccc(N)cc1)[C@@H]1CC[C@H]1OCc1ccccc1 1939605999 SSAOCSBPYKAMQU-WOJBJXKFSA-N 310.441 3.491 10 10 DGCE Cc1ccc([C@@H]2[C@@H](N)CCCN2C(=O)OC(C)(C)C)c(O)c1 1952606702 CXEASDPHMQFMQS-DZGCQCFKSA-N 306.406 3.100 10 10 DGCE C[C@H](Nc1ccc(N)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 1959362546 XAWJFYWYDYQNIS-STQMWFEESA-N 305.422 3.326 10 10 DGCE CC[C@H](NC(=O)OC(C)(C)C)[C@@H](N)c1ccc(N(C)C)cc1 1959562312 KVYRXZRBMUMXII-GJZGRUSLSA-N 307.438 3.056 10 10 DGCE C[C@@H](CO)N(Cc1ccccc1)c1ccc2c(c1)CCC[C@H]2O 1986601576 WOMPHINJYUGVGC-MGPUTAFESA-N 311.425 3.444 10 10 DGCE [N-]=[N+]=NC1CN(C(=O)c2c(Cl)cccc2Br)C1 2003557338 CTXGQEJYOAISBI-UHFFFAOYSA-N 315.558 3.237 10 10 DGCE C[C@@H](N(C)c1ccc(CO)c(Br)c1)C(C)(F)F 2009084969 NDPSDOVHUOMJAE-MRVPVSSYSA-N 308.166 3.421 10 10 DGCE C[C@H]1CN(c2ccc(CN)cc2Br)CCC1(F)F 2085355218 FJGRSBCAMPEFMR-VIFPVBQESA-N 319.193 3.389 10 10 DGCE CCOC(=O)[C@@H](NCCN=[N+]=[N-])c1cc(Cl)sc1C 2098175839 LJJRAQUVBWWLSG-JTQLQIEISA-N 302.787 3.214 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)c2ccnc(Cl)c2Cl)C1 2120741515 BSSFKUULBVJIEP-ZETCQYMHSA-N 300.149 3.161 10 10 DGCE CN[C@@H](c1csc(Cl)c1)[C@H](O)c1ccc(N(C)C)cc1 2154425336 ZDRRZDZOYVINGO-LSDHHAIUSA-N 310.850 3.462 10 10 DGCE C[C@@H](O)c1ccc(N(C)[C@H](CCO)C(F)(F)F)cc1Cl 2178510852 NEDJQOKIVJQLLW-PRHODGIISA-N 311.731 3.143 10 10 DGCE Cc1cc(Br)c(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)s1 2215962148 AEKIYJKWLSKITC-SSDOTTSWSA-N 315.196 3.344 10 10 DGCE COc1ccc(Br)c(CN[C@@H]2CCC[C@@H]2C)c1O 2220462148 HJDHQQHLGXLSGT-JOYOIKCWSA-N 314.223 3.442 10 10 DGCE FC1CN(c2ccc(CNC3CCC3)c(Br)c2)C1 2223523013 LBTFSNWRRGHBNK-UHFFFAOYSA-N 313.214 3.249 10 10 DGCE COc1ncc(CN(C)c2ccc([C@@H](C)O)cc2Cl)s1 2239979925 YRIXLAGBNSMPEQ-SECBINFHSA-N 312.822 3.495 10 10 DGCE CC(=O)Nc1ccc(C=CC(=O)N(C)Cc2ccccc2O)cc1 2299692486 WHYLGEPTNRZJLP-UHFFFAOYSA-N 324.380 3.022 10 10 DGCE CC[C@@H](c1cc(Br)ccc1O)N1CC[C@@H](N)[C@H]1C 2308281391 HJXKJLAHXFLLQL-WQAKAFBOSA-N 313.239 3.027 10 10 DGCE COC[C@@H](C)[C@@H](C)NCc1ccc(C)c(Br)c1O 2327625074 YCQVOOYROSVZGT-GHMZBOCLSA-N 316.239 3.224 10 10 DGCE COc1ccc(C[C@@H](N)c2ccccc2O)c(Br)c1 2338880082 JEBBUZQKDRFOAY-CQSZACIVSA-N 322.202 3.406 10 10 DGCE COc1ccc(CN[C@H](C)CN(C)Cc2ccccc2)c(O)c1 309927997 XYYDVDHZVXIAQS-OAHLLOKOSA-N 314.429 3.011 10 10 DGCE COc1ccc(O)c(CNC(=O)c2cc(C)c3ccccc3n2)c1 114543606 OQQBUGBTRMVAPL-UHFFFAOYSA-N 322.364 3.187 10 10 DGCE CC(C)Cc1nsc(N(C)Cc2ccc(N(C)C)cc2)n1 302242372 PAXBLJFDEPHGHG-UHFFFAOYSA-N 304.463 3.439 10 10 DGCE Cc1nc(-c2cccc(C(=O)N(C)Cc3ccccc3O)c2)no1 175506286 MVYZFKZNXCDPFZ-UHFFFAOYSA-N 323.352 3.023 10 10 DGCE Oc1ccc(OC(F)(F)F)cc1CNC1CCSCC1 2361169740 YCVGOEUSSGMXFI-UHFFFAOYSA-N 307.337 3.276 10 10 DGCE Cc1cccn2c(/N=N\c3ccc(O)cc3)c(CC(=O)O)nc12 71582009 JQZYNTROCMFORK-HNENSFHCSA-N 310.313 3.391 10 10 DGCE Cc1cc(C(=O)Nc2ccc(O)cc2C(=O)O)ccc1Cl 138101757 SIDPNJVNBTYBHR-UHFFFAOYSA-N 305.717 3.305 10 10 DGCE Cc1c(Br)cc([C@H]2CCN2)c(O)c1Br 238492111 QCERCKQKNCNKIW-MRVPVSSYSA-N 321.012 3.260 10 10 DGCE CCN1C(=O)/C(=C\c2ncc(C(F)(F)F)s2)SC1=S 278792987 OZFBQIKMKRVHIL-HWKANZROSA-N 324.374 3.383 10 10 DGCE Cn1ncc2c1CCC[C@@H]2NCc1cc(Cl)c(F)cc1O 293797399 BTYQILQSRRNAOS-ZDUSSCGKSA-N 309.772 3.085 10 10 DGCE CCN1CCc2cc([C@H](N)[C@H]3SCCS[C@H]3C)ccc21 2163073352 ICPMCWPVSTYIGZ-UVBJJODRSA-N 308.516 3.306 10 10 DGCE C[C@@]12CCN(Cc3ccc(N4CCOCC4)cc3)C[C@@H]1C2(F)F 814169628 KZRFWRDGUICXDD-DLBZAZTESA-N 322.399 3.000 10 10 DGCE COCC[C@@H](COC)N[C@@H](C)c1cc(Cl)cc(C)c1O 810257734 UYDTWHWVKAAAID-AAEUAGOBSA-N 301.814 3.056 10 10 DGCE CCOc1ccc(CN2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c(O)c1 824695985 GAICKJIQYSVATA-KURKYZTESA-N 319.445 3.306 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)Cc2ccco2)c1 830540691 NGXQJFQISURXCK-NWDGAFQWSA-N 303.358 3.050 10 10 DGCE C[C@@H](CC(F)(F)F)C(=O)NCc1ccc2c(c1)CCCN2C 837377055 HTZLRUWKPVDDQX-NSHDSACASA-N 314.351 3.274 10 10 DGCE C[C@@H](O)[C@@H](NCc1cccc(Cl)c1O)c1ccccc1F 846017766 PVDXCXIJOOMNQU-MEBBXXQBSA-N 309.768 3.396 10 10 DGCE COc1cccc([C@H](C)N[C@@H](C)[C@](C)(O)c2ccccc2)c1O 846189004 RVSSOBXHYNXTAO-NJSLBKSFSA-N 315.413 3.348 10 10 DGCE COc1ccc(CNC(=O)[C@@H]2CCCC[C@H]2C2CC2)c(O)c1 843874434 KKEDGRZGHNPHIC-JKSUJKDBSA-N 303.402 3.233 10 10 DGCE Cc1cccc(CNCc2ccc3c(c2)OC(F)(F)O3)c1O 843418313 BGBDQKQQNNEPJS-UHFFFAOYSA-N 307.296 3.312 10 10 DGCE Cc1nn(C)c(C)c1CCCN[C@@H](C)c1cc(F)cc(F)c1O 756786125 JPHRRQNISGAHNL-JTQLQIEISA-N 323.387 3.304 10 10 DGCE CCOc1ccc(CN2CCC[C@@]3(CCCOC3)C2)c(O)c1 769484028 JKQGENZKEOTSKE-GOSISDBHSA-N 305.418 3.184 10 10 DGCE Cc1nc(C(=O)Nc2c(Cl)ccc3nonc23)c(C)s1 1128603424 IIUKWESBDVRKFL-UHFFFAOYSA-N 308.750 3.202 10 10 DGCE Cc1cc(Br)c(O)c(CNC2(C)CCOCC2)c1 781637930 ZHLPGNAIRVIBBQ-UHFFFAOYSA-N 314.223 3.122 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@@H]2CCC[C@H]2OC)cc1F 1136730695 YPPDVCQUJUBJOV-RHSMWYFYSA-N 322.424 3.103 10 10 DGCE CCOc1ccc(O)c(CNc2ccc3ccn(C)c(=O)c3c2)c1 790636970 CPUSDAURKQRSCK-UHFFFAOYSA-N 324.380 3.255 10 10 DGCE CC[C@](C)(NCc1ccc(N2CCN(C)CC2)c(F)c1)C1CC1 1327846034 TZSNFNOKKUFBKZ-IBGZPJMESA-N 319.468 3.246 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H](NCc2ccc(F)cc2O)C1 1964554559 GYRCACKQNXLLJF-AWEZNQCLSA-N 324.396 3.020 10 10 DGCE CCC[C@@H](COC)NCc1cc(Br)cc(F)c1O 715745931 OKDIRYUARPBQDH-NSHDSACASA-N 320.202 3.199 10 10 DGCE CN1C(=O)C(=Cc2ccccc2Br)SC1=S 2294492852 HZGQICJUZSXFGD-UHFFFAOYSA-N 314.229 3.280 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)C2CCC=CCC2)cc1 1461340144 WEYXAAIMFZPPJN-UHFFFAOYSA-N 316.445 3.336 10 10 DGCE CN(Cc1ccccc1O)C(=O)[C@H]1CCOc2c(F)cccc21 1629954877 IAIPGUOEBXCQFE-AWEZNQCLSA-N 315.344 3.056 10 10 DGCE CN(C)c1ccc(CN2CC=CCN2C(=O)OC(C)(C)C)cc1 1560026998 MXYSNBGZMPRYJM-UHFFFAOYSA-N 317.433 3.277 10 10 DGCE CSc1cccc(C(=O)NCc2cc(Cl)ccc2O)n1 1632227711 HZUFIAUEDCGNNU-UHFFFAOYSA-N 308.790 3.093 10 10 DGCE O=C(O)C=Cc1ccc(N2CC=CCC2)cc1Br 1911913907 FSKDUQGTVAFXJX-UHFFFAOYSA-N 308.175 3.313 10 10 DGCE CC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(F)cc1 1597226474 RFOJAHRAWIDMNR-CQSZACIVSA-N 303.333 3.047 10 10 DGCE Cc1cc(CCNC(=O)N[C@H]2CC23CC3)c(C)n1-c1ccccc1 1684322114 ILRDOZVQGAFURZ-SFHVURJKSA-N 323.440 3.488 10 10 DGCE CCOc1cc(/C=C2/C(=O)N(CC(C)C)N=C2CC)ccc1O 1865650101 VOJOHCNURRXXRN-NTEUORMPSA-N 316.401 3.439 10 10 DGCE CCCCCCC(=O)N[C@@H]1CCCN(Cc2ccc(N)cc2)C1 586073308 YPYGFFVCNFFNSC-GOSISDBHSA-N 317.477 3.320 10 10 DGCE Cc1cc(CN)ccc1N(Cc1ccccc1)[C@H](CO)C1CC1 1915176252 HWAKUPVHUZRCDV-HXUWFJFHSA-N 310.441 3.231 10 10 DGCE CCNCc1ccc(N(Cc2ccccc2)C[C@@H](C)O)c(F)c1 1914629704 JSQHDLKEJBSTTI-OAHLLOKOSA-N 316.420 3.323 10 10 DGCE Cc1cccc(CNCc2csnc2Br)c1O 1925351605 MTKACWZTNOKLDC-UHFFFAOYSA-N 313.220 3.209 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@H]1C[C@@H]2CCCCN2C1 1969658379 ANPRPIXYTHZWFB-STQMWFEESA-N 315.244 3.415 10 10 DGCE C[C@H]1CC[C@@H](CCNCc2cc(Br)ccc2O)O1 1967774741 GGNMKHMRGXNAIJ-GWCFXTLKSA-N 314.223 3.202 10 10 DGCE CC[C@H](CNC(=O)OC(C)(C)C)C[C@@H](N)c1ccccc1O 1928480946 PJVUFSLWUOUQQO-GXTWGEPZSA-N 308.422 3.333 10 10 DGCE CC[C@H](CNCc1ccccc1O)CNC(=O)OC(C)(C)C 1931103033 YJXVYUKTZHBRQP-CYBMUJFWSA-N 308.422 3.033 10 10 DGCE CC[C@@H](NCC1(OC)CC1)c1cc(Br)ccc1O 1972557425 XCVWIVZWVDZYIR-GFCCVEGCSA-N 314.223 3.374 10 10 DGCE CNCc1ccc(N2CCC[C@H]2CF)c(Br)c1 2004422772 MBJMINGMBWJURF-NSHDSACASA-N 301.203 3.107 10 10 DGCE [N-]=[N+]=NC[C@H]1CCN(Cc2csc(Br)n2)C1 1981443672 GQTBWIAQSVUTDY-SSDOTTSWSA-N 302.201 3.038 10 10 DGCE CN(C(=O)OC(C)(C)C)[C@H]1CN(CCCCN=[N+]=[N-])CC12CC2 1994884209 RNUFMLAGTKIKFI-ZDUSSCGKSA-N 323.441 3.408 10 10 DGCE Oc1cc(Br)ccc1CN[C@@H](CF)C(F)(F)F 2012893362 ARNCOLGOOBXKEN-VIFPVBQESA-N 316.092 3.145 10 10 DGCE CCNCc1ccc(N2C[C@@H](C)[C@@H](F)C2)cc1Br 2035298217 WPWPFULNTRZYAH-YGRLFVJLSA-N 315.230 3.353 10 10 DGCE Cc1cccc(CNCCC(C)(C)NC(=O)OC(C)(C)C)c1O 405928049 KOZYDNIDDPHWFC-UHFFFAOYSA-N 322.449 3.484 10 10 DGCE CCc1nnc(NCc2ccc(Br)cc2O)s1 691441018 UYLDZIZTHVHVCT-UHFFFAOYSA-N 314.208 3.181 10 10 DGCE Oc1ccc(F)cc1CNCc1ncc(Br)s1 714936986 NEMUZKVJMAUTHO-UHFFFAOYSA-N 317.183 3.040 10 10 DGCE C[C@@H](CNCc1ccc(Br)cc1O)[C@H]1CCCO1 720540666 IDUNHHCYHCXVPB-IINYFYTJSA-N 314.223 3.059 10 10 DGCE C[C@H](N)c1ccc(N(C)[C@H]2COCCC2(F)F)cc1Cl 2168221161 USJCIFOGHPBAKW-ZANVPECISA-N 304.768 3.220 10 10 DGCE CCCN(c1c(F)cc(CNC)cc1F)[C@@H]1CCSC1 2170139844 NXQITEJTVBTJFY-GFCCVEGCSA-N 300.418 3.406 10 10 DGCE Cc1ccc(O)c(Cn2nc(CC(C)C)cc2CN(C)C)c1 2070177758 DQMPLQBQACWYQM-UHFFFAOYSA-N 301.434 3.206 10 10 DGCE CP1(=O)CCN(c2ccc(CNC3CC3)cc2Cl)CC1 2171990658 TXJFHYAIKQVGFA-UHFFFAOYSA-N 312.781 3.405 10 10 DGCE CN(CCc1ccc(N)cc1)[C@H]1CS[C@H](C(F)(F)F)C1 2189458644 QPIWNRBGEUSLAB-OLZOCXBDSA-N 304.381 3.180 10 10 DGCE Cc1ccc(Br)cc1[C@@H](O)[C@@H](N)c1ccccc1O 2098636104 KFZFAYZGXZYFTI-LSDHHAIUSA-N 322.202 3.197 10 10 DGCE COc1ccc(N2C[C@H](N)CC[C@@H]2C(F)(F)F)cc1Cl 2203010870 OPKDGCQVAHBMNU-PRHODGIISA-N 308.731 3.207 10 10 DGCE CN(c1ccc(CN)c(Br)c1)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]12 2116354204 IPAANTUIOIJFNU-XGJKELJWSA-N 321.262 3.389 10 10 DGCE NCCc1cnc(Sc2nc(-c3ccncc3)cs2)s1 2234281235 VPDMCDHINXXBCT-UHFFFAOYSA-N 320.468 3.314 10 10 DGCE C[C@@H](N)c1ccc(N2CC[C@H](OC(F)(F)F)C2)cc1Cl 2238904070 ISRVKFWIOUAEKF-SCZZXKLOSA-N 308.731 3.475 10 10 DGCE CCC1=NN(CC(C)C)C(=O)C1=Cc1ccc(C(=O)O)cc1 2332139563 URJMDLIJKRMUGT-UHFFFAOYSA-N 300.358 3.032 10 10 DGCE CO[C@@H]1CC[C@@H](NCc2ccc(C)c(Br)c2O)C1 2327619491 UOANYUKFONSAKS-VXGBXAGGSA-N 314.223 3.120 10 10 DGCE CC(/C=C1\SC(=S)N(CCCO)C1=O)=C\c1ccccc1 16904829 JCBSDSOBXTUOPL-MQZPGMTCSA-N 319.451 3.217 10 10 DGCE COc1ccc(NC(=O)CSCc2ccc(N)cc2)cc1 58235877 RZDBLIRIJGJANF-UHFFFAOYSA-N 302.399 3.149 10 10 DGCE Cc1nn(C)c(CSc2nccs2)c1Br 89233651 NEEDGVMNFFZHBN-UHFFFAOYSA-N 304.238 3.240 10 10 DGCE CC1(C)[C@H]2CNC[C@@H]2CN1Cc1cc(Cl)cc(Cl)c1O 90334328 LZAAJPYJNFXFFF-PWSUYJOCSA-N 315.244 3.129 10 10 DGCE CCCC[C@H](N)[C@@H](N)c1ccc(OCc2ccccc2)cc1O 95843705 IDALCZYQOVJMNW-HKUYNNGSSA-N 314.429 3.489 10 10 DGCE CN1C(=O)/C(=C\c2c(O)ccc3ccccc23)SC1=S 96569140 SSKGVKGERPTTHV-MDWZMJQESA-N 301.392 3.376 10 10 DGCE COC(C)(C)C[C@@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1 155311601 AWXZAMQWRPLLOT-HZPDHXFCSA-N 320.477 3.377 10 10 DGCE Cc1cc(C(=O)N[C@@H]2CCCOC2)c(C)n1-c1ccc(F)cc1 170936965 MOXVOTRQYJOWFH-OAHLLOKOSA-N 316.376 3.142 10 10 DGCE CCCCN(C)C(=O)c1cccc2c1C(=O)c1ccccc1C2=O 175281294 YXGQOCKCWLKUDR-UHFFFAOYSA-N 321.376 3.334 10 10 DGCE CSc1cccc(N(C)C(=O)/C=C/c2cncc(O)c2)c1 181958333 LEXKRURGKYDODX-VOTSOKGWSA-N 300.383 3.185 10 10 DGCE C[C@@H](CN[C@H](C)c1cc2c(cc1O)CCCC2)Cn1ccnc1 185209401 HZESBKQJXDVSOC-LSDHHAIUSA-N 313.445 3.454 10 10 DGCE CC(C)[C@H]1CN[C@@H](C)CN1c1ccc(OC(F)(F)F)cc1 225389308 IVDULQAAQOQDHK-SMDDNHRTSA-N 302.340 3.408 10 10 DGCE COc1ccc(CNc2ccc(Br)nc2)c(O)c1 226665148 HDAZPTJWZGTPLQ-UHFFFAOYSA-N 309.163 3.170 10 10 DGCE COc1cccc(CN2C[C@@H](C)O[C@H](c3ccccc3)C2)c1O 245551533 BMAMFFRUWVKJKP-KDOFPFPSSA-N 313.397 3.363 10 10 DGCE C[C@@H]1CN2CCC[C@H]2CN1Cc1cc(C(C)(C)C)cc(O)c1O 246993977 IBHIDJAIQMAYEV-CJNGLKHVSA-N 318.461 3.064 10 10 DGCE COc1ccc(CN2CCC[C@@H]2C[C@@H](O)c2ccco2)c(O)c1 247305785 ZYOKCDPASXAVGN-RHSMWYFYSA-N 317.385 3.082 10 10 DGCE Cc1cc(Br)cc([C@H](C)NCCc2cn[nH]c2)c1O 290011496 ZUUBAZJECBHURG-JTQLQIEISA-N 324.222 3.080 10 10 DGCE COCC[C@H](COC)N[C@H](C)c1ccc2ccccc2c1O 320464323 KYOBWCWMWXPWHQ-UKRRQHHQSA-N 303.402 3.248 10 10 DGCE Oc1cccc(Cl)c1CNCc1cc(Br)no1 718881374 IZIYYZBFDMZSAK-UHFFFAOYSA-N 317.570 3.086 10 10 DGCE COc1ccc(O)c(CNc2cc(C)nc(-c3ccccn3)n2)c1 733994869 SPSPFZJZZMCWPY-UHFFFAOYSA-N 322.368 3.173 10 10 DGCE Cc1ccc([C@@H](NCc2c(O)ccc(Cl)c2F)C(=O)O)cc1 756280585 BRSSVEMPOUEOAO-OAHLLOKOSA-N 323.751 3.409 10 10 DGCE COC(=O)/C=C/c1ccc(N2CC3(CCCC3)C2)c([N+](=O)[O-])c1 777802472 AGBLDSIDVVIWSO-FNORWQNLSA-N 316.357 3.161 10 10 DGCE Cc1cc(Br)c(O)c(CN2CCCOC[C@H]2C)c1 781914739 ZHWWCGRPKKCQFR-LLVKDONJSA-N 314.223 3.074 10 10 DGCE CC(C)CCC(=O)NCc1cc(Br)ccc1O 804738293 KNEMMUDJGZOBKL-UHFFFAOYSA-N 300.196 3.207 10 10 DGCE Oc1ccc(Br)cc1CNc1ncnc2[nH]ccc12 804828378 OXROJGQLHYXIMQ-UHFFFAOYSA-N 319.162 3.038 10 10 DGCE Oc1c(CNCC2(CF)CCOCC2)ccc2ccccc12 824794788 IJINWKCOPHMCEW-UHFFFAOYSA-N 303.377 3.401 10 10 DGCE COc1ccc2c(c1)N(C(=O)/C=C\c1cccnc1C)C[C@@H](C)O2 826562389 LONOACGZPHRAPE-OYVUYXNMSA-N 324.380 3.226 10 10 DGCE Oc1ccccc1CNCC[C@H]1CSc2ccccc2O1 842729138 GZQYWHSPQPRTIT-AWEZNQCLSA-N 301.411 3.425 10 10 DGCE CCCC(C)(C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855227157 WFQJQIXBTJAAFZ-AWEZNQCLSA-N 304.434 3.216 10 10 DGCE CC(C)N(Cc1c(O)cccc1Br)[C@H]1CCOC1 862372520 NFEDBVFQSOJUEP-NSHDSACASA-N 314.223 3.154 10 10 DGCE C[C@H](NC(=O)N[C@H]1C[C@@H](OC(C)(C)C)C1)c1ccccc1O 868736837 NSGHGJPOYNORGZ-RWMBFGLXSA-N 306.406 3.099 10 10 DGCE C[C@H](NC[C@H]1CC[C@@H](C(F)(F)F)O1)c1cc(F)ccc1O 903179556 QHACUBDEGYBBHV-PLMOITTCSA-N 307.287 3.292 10 10 DGCE Cc1cc(N(C)C)ccc1CNCc1cccc2nc(O)oc12 921747031 LADPGXINEKMEDC-UHFFFAOYSA-N 311.385 3.198 10 10 DGCE C[C@H](NC[C@H]1CNCCC1(F)F)c1cc2c(cc1O)CCCC2 925780799 GZLCINGRXBCCJU-SWLSCSKDSA-N 324.415 3.166 10 10 DGCE O=C(c1cc(O)cs1)N1CCC[C@@H](Cc2nccs2)C1 928275091 YETZOKVKGWFFFS-JTQLQIEISA-N 308.428 3.005 10 10 DGCE O=C(Cn1ccc2ccccc21)NCc1cc(Cl)ccc1O 1300398576 HDBFIVVFIMBZAW-UHFFFAOYSA-N 314.772 3.317 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@]2(C)CC2(C)C)c1 1313225217 PCWNHKNVQVYOEZ-PIGZYNQJSA-N 306.406 3.197 10 10 DGCE CO[C@H](CSc1ncc(-c2ccccc2)n1C)[C@@H]1CCOC1 1327518605 RZXFTMDQSOILSF-GDBMZVCRSA-N 318.442 3.231 10 10 DGCE CN(C)c1cc(F)c(CNCCCc2ccccn2)cc1F 1328687949 DOFGYJNVEUTPFE-UHFFFAOYSA-N 305.372 3.148 10 10 DGCE CC(C)c1nn(C)cc1C(=O)NCc1c(O)ccc2ccccc12 1472086067 KKNZWHZLJQNEGT-UHFFFAOYSA-N 323.396 3.332 10 10 DGCE CCCOc1cc(F)ccc1NC(=O)Cc1ccc(O)c(O)c1 1545654596 UURMEWQITJKPBE-UHFFFAOYSA-N 319.332 3.207 10 10 DGCE O=C(c1c[nH]nc1-c1ccc(F)cc1)N1Cc2cccc(O)c2C1 1587928134 KNRDMHVYVQXVBX-UHFFFAOYSA-N 323.327 3.077 10 10 DGCE CNc1ccc(C(=O)N2Cc3cccc(O)c3C2)c(Cl)c1 1632709367 UWXBEFAKGOPYDT-UHFFFAOYSA-N 302.761 3.243 10 10 DGCE C[C@@H](NC(=O)c1ccc(OC(F)F)cc1)c1ccccc1O 1642824290 OUPRXOQZXJVYJQ-SNVBAGLBSA-N 307.296 3.485 10 10 DGCE C/C(=C/c1cccnc1)C(=O)NCc1ccc2cccnc2c1O 1643284763 KPAKCSLTYCJUBL-RAXLEYEMSA-N 319.364 3.055 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@H]1C[C@@H]2C[C@@H]2C1 1683295821 QFQXGSHRKHWIOS-BJWYYQGGSA-N 313.445 3.227 10 10 DGCE O=C(NCc1cccc(Cl)c1O)NC[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@@H]12 1684804367 VXFUYPRPMZAOMK-ODXJTPSBSA-N 320.820 3.137 10 10 DGCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccoc1 1859498765 SRWPZOPFNFHHIR-UHFFFAOYSA-N 317.300 3.307 10 10 DGCE Cc1cccc2sc(=Nc3cc(CC(=O)O)ccc3O)[nH]c12 1859854274 ASCONSWACVUBAN-UHFFFAOYSA-N 314.366 3.103 10 10 DGCE CCCOc1ccccc1NC(=O)COc1ccc(N)cc1 1860077960 FLXNXJDORAWQPZ-UHFFFAOYSA-N 300.358 3.075 10 10 DGCE C[C@H]1CCCC[C@H]1NN=Nc1ccc2c(c1)OCC(=O)N2C 1860493995 LMUBIFOZCZATBD-WCQYABFASA-N 302.378 3.209 10 10 DGCE COC1(C(F)(F)F)CC(NCc2cccc(Cl)c2O)C1 1875684885 VSUCEAKOAQGGBN-UHFFFAOYSA-N 309.715 3.245 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN(C(=O)c2ncccc2Br)C1 1912174253 XBKSOHVSTVDIHF-SECBINFHSA-N 324.182 3.007 10 10 DGCE CC(C)n1ccnc1CNCc1ccc(Br)cc1O 1913281331 RQFMYPOUUZAXJZ-UHFFFAOYSA-N 324.222 3.222 10 10 DGCE CN(C(=O)OC(C)(C)C)C1([C@H](N)c2ccccc2O)CCC1 1928477533 VYMYWUUXHRQAPI-CQSZACIVSA-N 306.406 3.182 10 10 DGCE CC[C@H](CN(CC)c1ccc(N)cc1)NC(=O)OC(C)(C)C 1961906546 DGXNQIGUBDQDPP-CQSZACIVSA-N 307.438 3.398 10 10 DGCE CCN[C@@H]1CCc2cc(N(CCO)Cc3ccccc3)ccc21 1986606008 HDDCOWBZKQUVRK-HXUWFJFHSA-N 310.441 3.282 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN(Cc2csc(Br)n2)C1 2004968681 BFRHEWDZDNYPEH-QMMMGPOBSA-N 316.228 3.428 10 10 DGCE OCc1ccc(N2CC[C@@H]3[C@@H](C2)C3(F)F)c(Br)c1 2034634391 DHCYUMYZXQGNMS-NXEZZACHSA-N 318.161 3.033 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN(Cc2ccc(Br)nc2)C1 2044764728 PXBGKGYFZTXABQ-SNVBAGLBSA-N 310.199 3.366 10 10 DGCE CCOC(=O)c1c(C)nn(Cc2ccc(C)cc2O)c1C(F)F 2079245492 GKIWYFJTTVKDMY-UHFFFAOYSA-N 324.327 3.368 10 10 DGCE CCc1nn(Cc2c(O)cccc2Cl)c(N)c1C(F)(F)F 2079648250 UZPGVNLTWJZRSV-UHFFFAOYSA-N 319.714 3.454 10 10 DGCE C[C@H]1CC[C@H](CNCc2cc(Cl)cc(Cl)c2O)N1C 2095277094 LHNRNSCOXGYBOX-JOYOIKCWSA-N 303.233 3.271 10 10 DGCE NCCc1ccnc(N2CCc3cccc(Br)c32)c1 2098617206 ZFDDGSXDTXKQQW-UHFFFAOYSA-N 318.218 3.040 10 10 DGCE COc1cccc(NCc2ccc(O)c(O)c2)c1Br 2108996647 GOCSPIDFTAWPFN-UHFFFAOYSA-N 324.174 3.481 10 10 DGCE COCCNCc1ccc(N(C)CCC(F)F)c(Cl)c1 2152987506 UAJHKMHQRHWYOG-UHFFFAOYSA-N 306.784 3.167 10 10 DGCE CNCc1ccc(N(C)C2C[C@H]3C[C@@H]3C2)c(Br)c1 2222764293 YLWUIPZXPNPJOZ-VXGBXAGGSA-N 309.251 3.403 10 10 DGCE C[C@@]1(C(=O)O)C=CCCN1Cc1cc(Cl)cc(Cl)c1O 2239430551 MUJQNBFXLHUSKU-AWEZNQCLSA-N 316.184 3.304 10 10 DGCE C[C@@]12CO[C@@H](C1)[C@H](NCc1cc(Cl)cc(Cl)c1O)C2 2270756662 NVIOLQPTDLTBOR-DYEKYZERSA-N 302.201 3.356 10 10 DGCE CN[C@H](C)c1cc(F)c(N2CC(P(C)(C)=O)C2)c(F)c1 2286166645 USUMIYPXYDORMA-SECBINFHSA-N 302.305 3.057 10 10 DGCE CN(C(=O)C=Cc1ccc(Cl)nc1)c1cccc([N+](=O)[O-])c1 2304533954 VJKBQQUIAUQDAV-UHFFFAOYSA-N 317.732 3.319 10 10 DGCE CC[C@H](NC(=O)C=Cc1ccc(O)c(O)c1)c1nc(C)cs1 2307987277 PHEUJMXYDBZGQO-LBPRGKRZSA-N 318.398 3.143 10 10 DGCE Cc1ccc(CN2C[C@@H]3[C@H](C2)C3(F)F)c(O)c1Br 2327609518 OBULKPONUVSQLN-AOOOYVTPSA-N 318.161 3.160 10 10 DGCE CSc1ncc(CN[C@@](C)(C(=O)O)[C@@H](C)C(C)C)s1 2349507461 GWCBRYGMJIMMEI-TVQRCGJNSA-N 302.465 3.090 10 10 DGCE CN[C@@H](C)c1ccc(N2CCCN3CCC[C@@H]3C2)cc1Cl 78927872 DGICEDCLRZZYNB-DZGCQCFKSA-N 307.869 3.295 10 10 DGCE CN(Cc1cc(Cl)cc(Cl)c1O)[C@H]1CCC[C@@H]1CN 89109186 CLCYEPALZMBLSW-RNCFNFMXSA-N 303.233 3.258 10 10 DGCE Fc1cc(CN2C[C@H]3CCCC[C@@H]3C2)ccc1N1CCOCC1 93441991 CZJQKXNOEZGHHU-IAGOWNOFSA-N 318.436 3.284 10 10 DGCE C[C@H]1Cc2ccccc2N1C(=O)[C@H](C)Cc1ccc(O)c(O)c1 96643303 SETBHSKMVFBLMR-OLZOCXBDSA-N 311.381 3.254 10 10 DGCE COc1ccc(CN[C@H](CC(C)C)C(=O)OC(C)(C)C)c(O)c1 152096787 LMVILFUYCSNTLI-OAHLLOKOSA-N 323.433 3.247 10 10 DGCE O=C(NCc1ccc(O)c(O)c1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 159102446 OMLWHLXMJGIFFW-ZIAGYGMSSA-N 317.772 3.171 10 10 DGCE Cc1ccc(CN(C)Cc2cc(Cl)cc([N+](=O)[O-])c2O)o1 160852081 NNCBMOKIAQBNIU-UHFFFAOYSA-N 310.737 3.487 10 10 DGCE CC(C)c1nc2n(n1)CCC[C@H]2N[C@@H](C)c1ccc(F)cc1O 185683915 JAYPRKSLQLJLFR-SMDDNHRTSA-N 318.396 3.432 10 10 DGCE COC(=O)Cc1cccc(NCc2c(O)ccc3ccccc23)n1 191652879 DXTRBNFLUVTPEV-UHFFFAOYSA-N 322.364 3.268 10 10 DGCE COc1cc(Cl)cc(CN[C@H]2CCC[C@H]2SC)c1O 230934927 BOIBWAMEMISNRA-WCQYABFASA-N 301.839 3.428 10 10 DGCE CSC[C@@H]1CCCN1c1ccc(CN)cc1Br 400394354 OLYLEVMQNVQUID-NSHDSACASA-N 315.280 3.240 10 10 DGCE CO[C@H]1CC[C@@H](C)N(Cc2cc(Br)ccc2O)C1 687214824 ASVPLSNAARPUDW-MFKMUULPSA-N 314.223 3.154 10 10 DGCE CN(C)c1ccc([C@H](CCCOCc2ccccc2)NN)cc1 719174052 CHDHTUWGDKLZQL-IBGZPJMESA-N 313.445 3.254 10 10 DGCE C[C@H](CC(=O)NCc1ccc(N2CCCC2)cc1)n1cccc1 729288533 UHUMNIQYQQHQKK-MRXNPFEDSA-N 311.429 3.356 10 10 DGCE Cc1cccc(NS(=O)(=O)c2cc(F)cc(F)c2O)c1C 753014541 AVCIFLVFBFPZGI-UHFFFAOYSA-N 313.325 3.088 10 10 DGCE COc1cccc(O)c1CN[C@H](C)[C@@H]1Oc2ccccc2[C@H]1C 773402827 UDIPOUPVONBSPW-VLXJIEOASA-N 313.397 3.444 10 10 DGCE COc1cc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)nn1C 775092694 ILZWZYPENVEWSG-UHFFFAOYSA-N 324.384 3.089 10 10 DGCE COc1ccc(CNC(=O)/C=C\c2ccccc2Cl)c(O)c1 794389429 NTYXCYGEQUZJHV-CLFYSBASSA-N 317.772 3.384 10 10 DGCE CC(C)Oc1cc(NCc2cc(F)ccc2O)ccc1C(N)=O 798086214 LDJMWLWWZDZCNP-UHFFFAOYSA-N 318.348 3.030 10 10 DGCE CC(C)C[C@H](CNCc1ccccc1O)NC(=O)OC(C)(C)C 811477343 NNIJSKZHKUHADN-OAHLLOKOSA-N 322.449 3.421 10 10 DGCE CCc1ccc(NCc2cc([N+](=O)[O-])ccc2O)cc1OC 825111761 PEAJUBQNORLIOL-UHFFFAOYSA-N 302.330 3.484 10 10 DGCE C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)C1CCCC1 825182862 CSXCMHXEVDCHRJ-CQSZACIVSA-N 306.425 3.331 10 10 DGCE CN(C)c1ccc(/C=C/CN2CC[C@@H]3[C@H](CCCN3C)C2)cc1 835030458 YEHVCRBYEANRCM-XLKJWTSGSA-N 313.489 3.182 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCOc3cc(O)ccc3C2)cc1 835054236 TVXAWWDFIGDVHL-ARJAWSKDSA-N 324.424 3.366 10 10 DGCE Cc1ccc(C(=O)OCc2cc(C(C)(C)C)on2)c(O)c1O 837488937 OPLPAJZZRJIMPF-UHFFFAOYSA-N 305.330 3.049 10 10 DGCE COc1ccc(CNCc2c(O)cc(C)cc2Cl)c(O)c1 840941013 MWZWOXDWAACGLD-UHFFFAOYSA-N 307.777 3.358 10 10 DGCE Cc1ccc(O)c(CN[C@@H](CCC(=O)O)Cc2ccccc2)c1 840998348 AIMGQGNNVSBLNC-KRWDZBQOSA-N 313.397 3.266 10 10 DGCE Cc1cc(O)c(CN[C@H](c2ccccc2F)[C@@H](C)O)cc1C 846015715 CXAJMBQRODCRNW-ACJLOTCBSA-N 303.377 3.360 10 10 DGCE C[C@H](NCc1ccc(N2CCOCC2)cc1)C(C)(C)C(F)F 850427613 XJIOJWMTWSSTSD-ZDUSSCGKSA-N 312.404 3.293 10 10 DGCE Cc1ccc(C(=O)N2CC(C)C2)cc1-n1c(C)cc(C=O)c1C 861333394 APRPBOCFZJPPFO-UHFFFAOYSA-N 310.397 3.307 10 10 DGCE Cc1cc(CNC(=O)C2CCC(=O)CC2)c(C)n1-c1ccccc1 863166130 UOJYPEQKOBHOCG-UHFFFAOYSA-N 324.424 3.470 10 10 DGCE C[C@@H](NC(=O)C(C)(C)c1ccccn1)c1ccc(N(C)C)cc1 1296647800 CYFXHNMFPJPYQI-CQSZACIVSA-N 311.429 3.303 10 10 DGCE O=C(NCc1ccc(O)cc1O)c1ccc(-c2cccs2)o1 1299573974 MNOGEGSYJBGYRF-UHFFFAOYSA-N 315.350 3.349 10 10 DGCE O=[N+]([O-])c1c(NCc2c(O)cccc2O)ccc2ncccc12 1307215239 FIZATJOHJUVBFH-UHFFFAOYSA-N 311.297 3.166 10 10 DGCE COc1ccc(CCN[C@H]2C[C@@H](C)c3c(C)ccc(O)c32)cn1 1331531895 JAWSWKZZWDVEIV-HIFRSBDPSA-N 312.413 3.485 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)CSC1CC1 1352615656 SASHOYWCXJRKDR-UHFFFAOYSA-N 304.459 3.141 10 10 DGCE C[C@H]1[C@H](c2cccc(F)c2)OCCN1C(=O)c1cc(O)cs1 1557159293 HMKHHTASDJDWQB-ZUZCIYMTSA-N 321.373 3.195 10 10 DGCE CCC[C@@H](C)C(=O)N(C)[C@@H](C)CNCc1ccc(OC)c(C)c1 1568263246 VNUFFXZUHIQQCI-ZBFHGGJFSA-N 320.477 3.376 10 10 DGCE CON(C(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1)C(C)C 1622600856 ANINWKIJGOSGSI-UHFFFAOYSA-N 314.385 3.319 10 10 DGCE CC[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(F)cc1F 1629497362 XBSZGSFIPYCREB-AWEZNQCLSA-N 321.323 3.186 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1C[C@@H]2CCC[C@H]21 1684670514 WFYAHUDBVWREGF-YSVLISHTSA-N 314.429 3.259 10 10 DGCE CN1CCc2cc([C@@H](N)c3sc(Cl)nc3Cl)ccc21 1886649386 GZCALVOQKOJWNN-SNVBAGLBSA-N 314.241 3.490 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCN(Cc2cnc(Br)s2)C1 1912168640 VTHKRRUHEUTPIR-ZETCQYMHSA-N 302.201 3.038 10 10 DGCE CCCC[C@H](NC(=O)OC(C)(C)C)[C@@H](N)c1ccccc1O 1928469214 FWBOVAJUFIDOBZ-ZFWWWQNUSA-N 308.422 3.476 10 10 DGCE CC[C@H](N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1O 1938283996 WZSCMUADXRDJIB-GUTXKFCHSA-N 320.433 3.489 10 10 DGCE CC(C)[C@@H]1CCN1c1cc(Br)c(CN)cc1F 1941307634 JGSJWLJDNMBOQP-LBPRGKRZSA-N 301.203 3.282 10 10 DGCE COC(C)(C)[C@@H](N)c1cccc(NC(=O)OC(C)(C)C)c1O 1952563646 CNJMIIZLLGQCMW-ZDUSSCGKSA-N 310.394 3.164 10 10 DGCE C[C@]1(CNCc2cccc(Br)c2O)CCCOC1 1962985813 BHSQFXSVEHHZKP-CQSZACIVSA-N 314.223 3.061 10 10 DGCE C[C@H]1C[C@H](NCc2c(O)cccc2F)CN1C(=O)OC(C)(C)C 1976861283 UIACUYDVERWPMD-RYUDHWBXSA-N 324.396 3.019 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H](CN(CCN=[N+]=[N-])C2CC2)C1 1982242867 RXPGJMPKHUBOQA-ZDUSSCGKSA-N 323.441 3.408 10 10 DGCE Cc1cccc(CN[C@@H](C)[C@H]2CCN2C(=O)OC(C)(C)C)c1O 1994449253 CADBUIPBIMULIG-DZGCQCFKSA-N 320.433 3.188 10 10 DGCE CN[C@@H]1CCc2cc(N3CCN(Cc4ccccc4)CC3)ccc21 2012692600 PFVRZIJHLXTMKS-OAQYLSRUSA-N 321.468 3.216 10 10 DGCE CC(C)CNCc1cnc(S[C@@H]2CCC[C@@H](O)C2)s1 2133407568 HKYHVILNFRNPSZ-VXGBXAGGSA-N 300.493 3.284 10 10 DGCE COc1cc(Cl)cc(CN[C@]23CCC[C@@H]2CSC3)c1O 2201966494 NTORIHVHBGZRHT-ABAIWWIYSA-N 313.850 3.430 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@@H]1NC(=O)c1sccc1Br 2213586375 WOAGLDTVDZKBOE-YUMQZZPRSA-N 315.196 3.472 10 10 DGCE COc1ccc(Br)c(CNC[C@H]2CC[C@H]2C)c1O 2220607816 OTOUMVZDNXHMBB-NXEZZACHSA-N 314.223 3.299 10 10 DGCE CN(CCCCN=[N+]=[N-])[C@H]1CN(C(=O)OC(C)(C)C)CC12CC2 2244524169 CEPAKUDGDQIYMX-ZDUSSCGKSA-N 323.441 3.408 10 10 DGCE CSc1ncc(Cn2c(=N)[nH]c3c(Cl)cccc32)s1 2269272209 PCVRVRPWVWZYOY-UHFFFAOYSA-N 310.835 3.329 10 10 DGCE C[C@@H]1CCN(C(=O)C=Cc2cncc(F)c2)c2c(O)cccc21 2309377843 CEMQBGOWOXHRQK-GFCCVEGCSA-N 312.344 3.480 10 10 DGCE CCc1ccc(C=CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)o1 2309814568 QJUKMBZUDYNXCP-GFCCVEGCSA-N 315.369 3.014 10 10 DGCE CCCN1N=C(c2ccccc2)C(=Cc2ccccc2O)C1=O 2332140374 ATNDOCPQEVDXRP-UHFFFAOYSA-N 306.365 3.432 10 10 DGCE COc1cc(CNCC(C)C)cc(Sc2nccs2)n1 2364727313 NOTXJVYTZHBKIX-UHFFFAOYSA-N 309.460 3.444 10 10 DGCE CCCNC[C@@H]1CCN(c2cc(Cl)c(OC)cc2OC)C1 53011390 LVEOGEOYCWTWJN-LBPRGKRZSA-N 312.841 3.183 10 10 DGCE Nc1ccc(OCCSc2ccc3c(c2)OCCO3)cc1 124000766 GIAYAMSWJKFXSN-UHFFFAOYSA-N 303.383 3.211 10 10 DGCE C[C@H](N[C@@H](C)[C@H](O)Cc1ccccc1)c1ccc(F)c(F)c1O 187801431 OGEYJUFJNYMGPG-MQIPJXDCSA-N 321.367 3.313 10 10 DGCE CC(C)N[C@@](CCC1CC1)(CSc1nccs1)C(=O)O 2366639208 QQUPUACMXCSLAZ-AWEZNQCLSA-N 314.476 3.247 10 10 DGCE Cc1ccnc(Cl)c1NC(=O)CCOc1ccc(N)cc1 88188701 KXRKMCPCCXIIGI-UHFFFAOYSA-N 305.765 3.033 10 10 DGCE CSCCN(C)c1ccc([C@@H](C)N)c(Br)c1 235063996 WTIWFUWEOGSYDM-SECBINFHSA-N 303.269 3.268 10 10 DGCE N[C@H](c1ccc(OCc2ccccc2)cc1O)C1CCOCC1 95825479 LHIUHZBRFUXIIH-IBGZPJMESA-N 313.397 3.398 10 10 DGCE CCOCCN(CC)c1ccc([C@H](C)N)c(Br)c1 233713639 IFVIZXBTOWPENX-NSHDSACASA-N 315.255 3.332 10 10 DGCE CCNCc1ccc(N(C)[C@H](C)COC)c(Br)c1 233512665 UMIJGDLJNRGULK-LLVKDONJSA-N 315.255 3.030 10 10 DGCE Cc1ccc(O)c(CN2CCC[C@@H]2CNC(=O)OC(C)(C)C)c1 93757739 SPEZCWCBXLIJFU-OAHLLOKOSA-N 320.433 3.190 10 10 DGCE CC[C@H]1CCCCN1c1cc2c(cc1Cl)[C@H](NC)C(=O)N2 92750231 UGJOYSYUFPNDAN-BONVTDFDSA-N 307.825 3.322 10 10 DGCE Nc1ccc(NC(=S)Nc2ccc(Br)cn2)cc1 242836283 FTISRTDZIYKYEL-UHFFFAOYSA-N 323.219 3.235 10 10 DGCE C[C@@H](N[C@H]1CCNC12CCC2)c1cc2c(cc1O)CCCC2 530219297 ZTNWMDVAUNXHCV-ACJLOTCBSA-N 300.446 3.206 10 10 DGCE Cc1cnc([C@@H](C)NCc2ccc(N3CCOCC3)cc2)s1 378925679 SQAYGKWFOFZTMR-CQSZACIVSA-N 317.458 3.139 10 10 DGCE CN(C)c1ccc(CNC(=O)N2CC3(CCC3)[C@@H]2C2CC2)cc1 290787038 NSZOQXLLXVTFSR-KRWDZBQOSA-N 313.445 3.227 10 10 DGCE C[C@H](N[C@H]1CCNC[C@@H]1C)c1ccc(Cl)c(Cl)c1O 817970786 FGLPYRMPUWVQGA-AUTRQRHGSA-N 303.233 3.348 10 10 DGCE CN1C[C@@H](NCc2cc(Cl)cc(Cl)c2O)C(C)(C)C1 722292699 BUACTSDVLFFRAP-GFCCVEGCSA-N 303.233 3.129 10 10 DGCE CC(C)(C)c1ccc(NC(=O)c2cc(O)c(O)c(O)c2)cc1 586735587 USZUPLBZGZHORX-UHFFFAOYSA-N 301.342 3.353 10 10 DGCE COCCOc1cccc(CN[C@H]2CCc3cccc(O)c32)c1 834518624 KRISBLMSINAPHT-KRWDZBQOSA-N 313.397 3.195 10 10 DGCE Cc1cc(O)c(CNCc2ccc(CN)cc2F)c(Cl)c1 844908457 UWLUZNYLDADXNR-UHFFFAOYSA-N 308.784 3.242 10 10 DGCE C[C@@H](NCC1(CF)CCOCC1)c1ccc(Cl)cc1O 841757129 MJIYPOFYPUPEQP-LLVKDONJSA-N 301.789 3.463 10 10 DGCE CCc1[nH]nc(Cl)c1CN[C@H](C)c1cc(OC)ccc1O 922217692 VOQCWQJVDQHAPD-SECBINFHSA-N 309.797 3.191 10 10 DGCE CCC(C)(C)NC(=O)CN1CCCCc2cc(OC)ccc21 766269363 IXRPQCDUOAFAJC-UHFFFAOYSA-N 304.434 3.143 10 10 DGCE COC[C@]1(C)CN(Cc2cc(C(C)C)c(C)cc2O)CCO1 863339908 GGWGZPNQKPQLCT-SFHVURJKSA-N 307.434 3.061 10 10 DGCE Cc1cc(N)cc(NC(=O)NCCCSc2nccs2)c1 868192706 GEUOTIXHYBAYDY-UHFFFAOYSA-N 322.459 3.338 10 10 DGCE Cc1cc(C(=O)N2Cc3cccc(O)c3C2)nn1[C@H](C)C1CC1 871203482 ASPVJUVQTNFQQR-GFCCVEGCSA-N 311.385 3.024 10 10 DGCE COc1ccc(CN[C@@H]2C[C@@H]2C2CCCCC2)c(O)c1OC 893354976 AEYQQOQOQKWQIL-HUUCEWRRSA-N 305.418 3.468 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@]1(C)CNc1ccc(N)cc1 1959351908 NHPPFJCFCGNJIE-QGZVFWFLSA-N 305.422 3.470 10 10 DGCE Cc1ccc(C(=O)N2C[C@H]3C[C@H](c4ccccc4)[C@H]3C2)c(O)c1O 1151562310 ZYXOKHBNDXKJLG-OIISXLGYSA-N 323.392 3.282 10 10 DGCE CC(C)COC(=O)CN1CCCc2cc(OC(F)F)ccc21 1307537000 JRWZVBMAPUVCRD-UHFFFAOYSA-N 313.344 3.240 10 10 DGCE [N-]=[N+]=NCCNC(=O)Cc1ccc(Br)cc1Cl 1963818616 WSCDLSGXDCWHSL-UHFFFAOYSA-N 317.574 3.072 10 10 DGCE CN(Cc1ccc(F)cc1[N+](=O)[O-])c1ccc2c(c1)OCO2 1307585464 MPFILOHDNSYVIB-UHFFFAOYSA-N 304.277 3.099 10 10 DGCE CCC(C)(C)[C@H](O)C(=O)NCc1cc(Cl)cc(Cl)c1O 1160599163 GBOGAWBTUONXPU-GFCCVEGCSA-N 320.216 3.112 10 10 DGCE C[C@H](N[C@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1)c1ccccc1O 1168819993 XABWROMBTCSVEX-RDBSUJKOSA-N 320.433 3.441 10 10 DGCE C[C@@H](CCc1ccccc1F)C(=O)NCc1c(O)cccc1O 1178912720 WZMUVGFYJXRBFC-LBPRGKRZSA-N 317.360 3.122 10 10 DGCE COc1ccc(CN[C@@H](C)CCNC(=O)C=C2CCC2)cc1C 1274698524 UWDSRYYWHPGFKF-HNNXBMFYSA-N 316.445 3.098 10 10 DGCE Cc1c([C@@H](CN)CNC(=O)OC(C)(C)C)c2ccccc2n1C 1536010385 RZKMHSKPGFZZDT-ZDUSSCGKSA-N 317.433 3.054 10 10 DGCE CSc1cc2c(cc1NC(=O)c1cc(O)cs1)OCCO2 1627306384 OYHBXKCZNBJIIC-UHFFFAOYSA-N 323.395 3.199 10 10 DGCE O=C(Cc1c(F)cccc1F)NCc1cccc(Cl)c1O 1558757080 OCFMMGRNNCXQMY-UHFFFAOYSA-N 311.715 3.183 10 10 DGCE CN(C)c1ccc(CN2C[C@H]3COC[C@@]3(c3ccccc3)C2)cc1 1560135235 HMNRIIYRBOOABS-PZJWPPBQSA-N 322.452 3.153 10 10 DGCE Cc1cc(CC(=O)Nc2cccnc2O)c(C)n1-c1ccccc1 1631603321 YMWLCTCLKJBWNY-UHFFFAOYSA-N 321.380 3.376 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)N[C@H](CO)C(C)C)c1 1636579390 NDCXBSNDDSVZMO-QGZVFWFLSA-N 314.429 3.149 10 10 DGCE COc1ccc(Cl)cc1CC(=O)NCc1cc(C)ccc1O 1645800348 CNPWYYWUUDGCHD-UHFFFAOYSA-N 319.788 3.222 10 10 DGCE Cc1ccccc1-n1c(C)cc(C(=O)N[C@H]2C[C@@](C)(O)C2)c1C 1643079716 WJMRUEJSIDDFPD-GLRZTSSQSA-N 312.413 3.046 10 10 DGCE O=C(N[C@H]1C[C@H](Sc2ccccc2)C1)c1cccc(O)c1O 1586372958 HHZYBROSFDFWNA-AULYBMBSSA-N 315.394 3.151 10 10 DGCE CN(Cc1ccccc1)C(=O)CN1CCCC[C@@H](CN=[N+]=[N-])C1 1912174423 YZIQVAQGZVQYGC-INIZCTEOSA-N 315.421 3.057 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNCC[C@@H]1CCC[C@H]1O 1913730499 BPZFUEJJNKOWMJ-TVQRCGJNSA-N 304.217 3.340 10 10 DGCE CC[C@H](O)CN(Cc1ccccc1)c1ccc(CNC)cc1F 1915399547 BIMITOQZXSJWDK-KRWDZBQOSA-N 316.420 3.323 10 10 DGCE COc1ccc(CNC[C@@H](C)N(C)Cc2ccccc2)c(O)c1 111389440 FQMZHUXLBVNUIP-OAHLLOKOSA-N 314.429 3.011 10 10 DGCE [N-]=[N+]=NCCCCNC(=O)c1ccc(F)cc1Br 231732460 FZGZDYUXXIKTQO-UHFFFAOYSA-N 315.146 3.409 10 10 DGCE Oc1c(F)cc(Br)cc1CN[C@@H]1CC[C@H]2C[C@@H]21 1941000035 LSJPCRIYDRTLEO-VIRWGQHYSA-N 300.171 3.182 10 10 DGCE CC(C)(C)OC(=O)Nc1ccc(O)c([C@@H]2CC(F)(F)CN2)c1 1952834397 OPEYYVXBVHGTPW-NSHDSACASA-N 314.332 3.409 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H](F)C[C@@H]1c1ccc(N)cc1O 1953062333 FPARQKUJVISDEI-ZWNOBZJWSA-N 310.369 3.385 10 10 DGCE CN(C)c1ccc([C@H](N)CC2(NC(=O)OC(C)(C)C)CC2)cc1 1977944816 JVUBNIJOWXZTBK-OAHLLOKOSA-N 319.449 3.200 10 10 DGCE CC(C)N(C[C@H](N)c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C 1977945968 RZAYUGFFHFPLSY-INIZCTEOSA-N 321.465 3.398 10 10 DGCE CN(Cc1ccccc1)[C@@H]1CCCN(c2ccc(CO)cc2)C1 1980495975 RBJBOUPOGYUOHQ-HXUWFJFHSA-N 310.441 3.280 10 10 DGCE CN(C(=O)OC(C)(C)C)C1(CNCc2cc(F)ccc2O)CC1 1988067005 WVLKYBIZOHFGLB-UHFFFAOYSA-N 324.396 3.020 10 10 DGCE CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1CN(CCCCN=[N+]=[N-])C2 1992180070 WISRYJVTGYTNHJ-CZUORRHYSA-N 323.441 3.456 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](COc3ccc(N)cc3)C[C@H]2C1 1992433992 CQZGJWPYOKYIMP-XEZPLFJOSA-N 318.417 3.151 10 10 DGCE Cc1ccc(CNCCN(C(=O)OC(C)(C)C)C(C)C)c(O)c1 1994457243 XQDKSAHLOYRDJI-UHFFFAOYSA-N 322.449 3.436 10 10 DGCE C[C@H]1COCC[C@@H]1N(C)Cc1cc(Br)ccc1O 2031921164 SDCHKPJUFUTQGI-GWCFXTLKSA-N 314.223 3.012 10 10 DGCE CO[C@H](CNCc1cccc(Br)c1O)C1CCC1 703031586 WNILSDKMPJLXTJ-CYBMUJFWSA-N 314.223 3.059 10 10 DGCE CCc1cccc(CN[C@H]2[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c1O 691479091 YXOSCHQTQNIOAO-PMOLBWCYSA-N 322.452 3.175 10 10 DGCE OCc1cc(C2CCCCC2)nn1Cc1cc(F)ccc1O 2070155856 SRCVAORIBCAGMI-UHFFFAOYSA-N 304.365 3.316 10 10 DGCE CC(C)(C)c1nn(-c2ccc(O)c(O)c2)c(N)c1C1(C)CC1 2079732686 UBUZBSQFWOHTDR-UHFFFAOYSA-N 301.390 3.215 10 10 DGCE CN(c1cc(Cl)c(CN)cc1F)[C@H]1CCOC(C)(C)C1 2177381954 SZRINDVUQFBMJM-NSHDSACASA-N 300.805 3.332 10 10 DGCE CC[C@@H](COC)N(C)Cc1cc(Br)cc(C)c1O 2047296793 GQLYAUYHSWHNAF-ZDUSSCGKSA-N 316.239 3.320 10 10 DGCE CNCc1ccc(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@@H]32)c(Br)c1 2053742703 SOROFILXSBWIEX-ASHKBJFXSA-N 307.235 3.013 10 10 DGCE CNCc1ccc(N2CC[C@H]3CC[C@@H]3C2)c(Br)c1 2068263962 WQBUHVCIECQNRV-CHWSQXEVSA-N 309.251 3.405 10 10 DGCE CN(Cc1cnc(C(F)(F)F)s1)c1ccc(CO)cc1 2196655008 OTVMHUTVTDLGGX-UHFFFAOYSA-N 302.321 3.291 10 10 DGCE CC(C)[C@@H]1COCCN1Cc1cccc(Br)c1O 2223622042 MDJKCUXOLAVWKS-ZDUSSCGKSA-N 314.223 3.012 10 10 DGCE C[C@H](N)c1ccc(N2CC[C@@H](OC(F)(F)F)C2)c(Cl)c1 2238903749 HKMQTWZPPJEFCZ-WCBMZHEXSA-N 308.731 3.475 10 10 DGCE COC[C@@]1(C)C[C@@H]1CN(C)c1cc(Cl)c(CN)cc1F 2284730311 WPLZXVRPWMHZAK-IAQYHMDHSA-N 300.805 3.047 10 10 DGCE CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)NC1CCCC1 2313681769 MVISSNWNCDUSEQ-UHFFFAOYSA-N 301.365 3.354 10 10 DGCE Oc1c(F)cc(Br)cc1CN[C@H]1C[C@H]2C=C[C@@H]1C2 2310112660 ZBRMQVOKAWFJFM-RWEMILLDSA-N 312.182 3.348 10 10 DGCE Nc1ccc(C[S@](=O)Cc2cccc(Br)c2)cc1 2318729778 SOFFWLWXMIIMKU-SFHVURJKSA-N 324.243 3.480 10 10 DGCE C[C@@H](N)c1ccc(N2CCOC(C)(C)C2)c(Br)c1 61695727 ZPYLGMDYRKSCSQ-SNVBAGLBSA-N 313.239 3.084 10 10 DGCE C[C@](NCCN=[N+]=[N-])(C(=O)O)c1cc(Cl)ccc1Cl 90256358 WIYZBGMZYQOWPI-LLVKDONJSA-N 303.149 3.193 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)C(=O)Nc1cc(F)ccc1F 96785403 OWSWCBBLDNBJET-SECBINFHSA-N 307.296 3.193 10 10 DGCE COc1cc(CN2CCO[C@@H](c3cccs3)C2)c(O)cc1C 160413712 ISHZYHMEQUWLRD-MRXNPFEDSA-N 319.426 3.344 10 10 DGCE CC[C@@H](NC(=O)NCc1cccc(OC)c1O)c1cccs1 174210877 VFBGNIAOSRAPRK-GFCCVEGCSA-N 320.414 3.413 10 10 DGCE C[C@H](NC1(CO)CCC1)c1ccc(N2CCCCC2)c(F)c1 182433480 HADINDILTCGUNT-AWEZNQCLSA-N 306.425 3.382 10 10 DGCE COc1ccc2c(c1)nc(CN[C@H](C)c1ccccc1O)n2C 186526528 GXPDRESTVQORHF-GFCCVEGCSA-N 311.385 3.138 10 10 DGCE C[C@H]1C[C@@H]1CN(C)c1ccc(CN)c(Br)c1F 231840093 XFOICRMBUJYOTK-WCBMZHEXSA-N 301.203 3.139 10 10 DGCE c1cc2c(cc1CN[C@H]1CCOC3(CCSCC3)C1)CCO2 269349156 REPIJFVYKPEESS-INIZCTEOSA-N 319.470 3.156 10 10 DGCE Oc1ccc(F)cc1CN[C@@H]1CCOC2(CCSCC2)C1 272386412 IICAIRVCYDYVFN-CQSZACIVSA-N 311.422 3.066 10 10 DGCE CCOC(=O)[C@@H]1CC[C@H](N[C@H](C)c2ccc(N(C)C)cc2)C1 281094617 QFPORPVNFKSKRI-BMFZPTHFSA-N 304.434 3.135 10 10 DGCE CC[C@H](N[C@@H](C)c1ccc(N(C)CC)cc1)[C@H](O)C(F)F 296633481 XNHBYCAMWDXOGU-CQDKDKBSSA-N 300.393 3.198 10 10 DGCE C[C@@H](N[C@H]1CCN(Cc2ccccc2)C1)c1cc(O)ccc1O 302872356 PQYAXRBVJFPURD-ZBFHGGJFSA-N 312.413 3.023 10 10 DGCE C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NCc1ccccc1O 397995902 BWLLORXDBTVQFE-VQIMIIECSA-N 310.441 3.392 10 10 DGCE CCN[C@H](C)c1ccc(N(C)[C@@H](C)C[S@@](C)=O)cc1Cl 399259109 ORLMYQGNYNIEAU-XXRNEEKGSA-N 316.898 3.214 10 10 DGCE C[C@H]1CCC[C@@H](S(=O)(=O)Nc2ccc(O)c(Cl)c2)C1 407338711 VHZIWUOVMUWCAQ-GXSJLCMTSA-N 303.811 3.366 10 10 DGCE COc1ccc([C@@H]2CN(Cc3ccc(N)cc3)C(=O)O2)cc1F 585907260 WFTAGSFXQKFGPR-INIZCTEOSA-N 316.332 3.110 10 10 DGCE CCO[C@@H]1CCN(c2ccc([C@@H](C)O)cc2Br)C1 701706760 KKTKZWWFGOMBNO-ZYHUDNBSSA-N 314.223 3.118 10 10 DGCE C[C@@H](c1cc(Br)ccc1O)N1CCO[C@H](C)CC1 720495889 NIMLHIHQEZHHIW-MNOVXSKESA-N 314.223 3.327 10 10 DGCE CN(C(=O)/C=C/c1cnn(C)c1)c1c(Cl)cccc1Cl 772353695 APJDHLHYISYXJW-VOTSOKGWSA-N 310.184 3.403 10 10 DGCE Cc1cccnc1/C=C\C(=O)N[C@H](C)c1ccc(N(C)C)cc1 775404305 MOAMTPVXLRVSOA-QYMJWVLRSA-N 309.413 3.347 10 10 DGCE CC1(CNCc2ccc(N3CCN(CC4CC4)CC3)cc2)CC1 785507538 CVVKPSAIXCWOLU-UHFFFAOYSA-N 313.489 3.108 10 10 DGCE C[C@H](N[C@H]1CNCCC1(F)F)c1ccc2ccccc2c1O 817980289 KMAQIPITWWNOHJ-NHYWBVRUSA-N 306.356 3.193 10 10 DGCE C[C@H](NC(=O)C(F)=C1CCC1)c1ccc(N2CCOCC2)cc1 819165962 IRIWGKOJWSZUES-ZDUSSCGKSA-N 318.392 3.108 10 10 DGCE Cc1cc(CC(=O)N(C)CC(F)F)c(C)n1-c1ccccc1 826089597 KQJUENXOUBWWHH-UHFFFAOYSA-N 306.356 3.360 10 10 DGCE Cc1cc(N(C)C)ccc1CN1CCC[C@H]([C@H]2CCCN2)C1 843043929 DCBWPCBMTLGFBX-PKOBYXMFSA-N 301.478 3.025 10 10 DGCE COc1cc(Br)cc([C@H](C)NCCSC)c1O 848513047 COEPBJKDZBAYCN-QMMMGPOBSA-N 320.252 3.177 10 10 DGCE Cc1cc(C)c2c(N)c(C(=O)OCc3coc(C)n3)sc2n1 848693628 JZZYAEPHTBPMHX-UHFFFAOYSA-N 317.370 3.149 10 10 DGCE O=[N+]([O-])c1cc(CN[C@H]2[C@H]3CCC[C@H]32)ccc1N1CCCCC1 850393903 YDNAMPSTSMCQNF-JLVBRIDZSA-N 315.417 3.473 10 10 DGCE Cc1cc(C)c(O)c(CN2CCO[C@H](CC(F)(F)F)C2)c1 853610581 FDWOMMBQOVVFEH-CYBMUJFWSA-N 303.324 3.162 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)CC3CC(C)(C)C3)C2)cc1 855224937 IOAHZZRKGDPRJL-HNNXBMFYSA-N 316.445 3.216 10 10 DGCE C/C=C/CN[C@@H](C)c1cc(Br)cc(OC)c1O 858536020 DAJSVQARBPQWCG-MOVJSRMASA-N 300.196 3.390 10 10 DGCE CC[C@H](C[C@H](C)O)N[C@@H](C)c1cc(Br)ccc1O 866635894 UVBJAUKOUPYNKT-JBLDHEPKSA-N 316.239 3.355 10 10 DGCE O=C(CC(F)(F)C(F)F)NCc1c(O)ccc2c1CCCC2 901131321 IMWUGKACUCKABV-UHFFFAOYSA-N 319.298 3.178 10 10 DGCE c1cc2c(cc1CNC[C@@H]1CCC13CCOCC3)CCCO2 922317317 YQPLZLFMWBCFDC-KRWDZBQOSA-N 301.430 3.308 10 10 DGCE COc1ccc(N2CCC(NC[C@@]3(C)CCCCO3)CC2)cc1 922817694 VSJYFWHJUMWONW-LJQANCHMSA-N 318.461 3.213 10 10 DGCE C[C@@H]1C[C@H](N[C@H]2C[C@@H]3OC(C)(C)O[C@@H]3C2)c2c(O)ccc(F)c21 927059557 DIBFOXNHKSHOQJ-YGHJJULASA-N 321.392 3.352 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)Nc1cc(F)c(O)cc1Cl 1456603883 FRMYWGPMLJWFHP-DUXPYHPUSA-N 323.707 3.248 10 10 DGCE COc1cc(F)cc(CNC(=O)N[C@H](C)c2ccccc2O)c1 1469436953 AQDGAZDBDPVRAT-LLVKDONJSA-N 318.348 3.100 10 10 DGCE C[C@H](NCc1ccnc(Br)c1)c1ccccc1O 1473724163 QHJKFSWOQAGQRA-JTQLQIEISA-N 307.191 3.401 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)C[C@H]1CCC(C)(C)CO1 1537803545 SMRRKPWDOQJEJB-QGZVFWFLSA-N 318.461 3.273 10 10 DGCE COCc1ccc(C(=O)NCc2c(O)ccc3ccccc23)o1 1558553333 MWJBMQRUVAQEPZ-UHFFFAOYSA-N 311.337 3.215 10 10 DGCE COc1ccc(CN(C)CCN(C)c2ccc(OC)cc2)cc1 1559966621 GLVUYDYUGITXJC-UHFFFAOYSA-N 314.429 3.272 10 10 DGCE C/C(=C/C(=O)NCc1c(O)cccc1F)c1ccc(F)cc1 1596913449 YWFLCLSVIDDAPV-LUAWRHEFSA-N 303.308 3.390 10 10 DGCE C[C@@H](C(=O)NCc1cc(O)ccc1O)c1cn(C)c2ccccc12 1633599144 PXYCICHWQIDHTR-GFCCVEGCSA-N 324.380 3.009 10 10 DGCE CC[C@@H]1C[C@H]1NC(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1 1635214478 KLNWMBAQKCYEKZ-VQIMIIECSA-N 324.424 3.364 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@@H]1c1ccc(F)cc1 1641050223 VPGZSMYTRKGXKY-SDHLOXDLSA-N 313.328 3.224 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1CC[C@@H](C)C1 1673745513 VPBGJFBUOPFBBV-KMFMINBZSA-N 317.477 3.480 10 10 DGCE O=C(NCc1cccc(Cl)c1O)NC[C@]12CCCC[C@@H]1C2 1685297623 FRVQCRYXFGGWGB-MLGOLLRUSA-N 308.809 3.425 10 10 DGCE Cc1ncc(Br)c(N(C)[C@H](C)c2ccccc2O)n1 1877532358 FGSJQXVUKOUFGS-SECBINFHSA-N 322.206 3.451 10 10 DGCE CCCOc1cc(N(CCCO)Cc2ccccc2)ccc1N 1914653783 YOZFJHHSCWQZCZ-UHFFFAOYSA-N 314.429 3.447 10 10 DGCE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H]([C@H](N)c1ccccc1O)C2 1936973314 GAGCPRWFPAORMO-ATVPRXPUSA-N 318.417 3.180 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@]21[C@H](N)c1ccccc1O 1936973813 LPTKXKSCLLPNET-DWQUBVKVSA-N 318.417 3.182 10 10 DGCE C[C@@H](CCNC(=O)OC(C)(C)C)N[C@@H](C)c1c(O)cccc1O 1937018905 MUUVERHFMTXWSS-RYUDHWBXSA-N 324.421 3.052 10 10 DGCE Oc1cc(Br)ccc1CN[C@@H](C(F)F)C1CC1 1942730081 JJNXJNPZTIYHFI-LLVKDONJSA-N 306.150 3.288 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](N)[C@@H]1c1ccc(Cl)cc1O 1952309405 VKPWFSRMHWUECL-AAEUAGOBSA-N 312.797 3.055 10 10 DGCE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@](N)(c2ccccc2O)C1 1976462080 KNITYDMILSGGFN-ACJLOTCBSA-N 320.433 3.213 10 10 DGCE N[C@@H]1CCc2cc(N3CC[C@@H](OCc4ccccc4)C3)ccc21 1986608544 DZUNQNYCODSLRM-UYAOXDASSA-N 308.425 3.428 10 10 DGCE NCc1ccc(N2CC[C@@H](CCF)C2)c(Br)c1 2001376414 XESKMTPSEKDDIV-SNVBAGLBSA-N 301.203 3.094 10 10 DGCE CN(c1ccc(CO)cc1Br)[C@@H]1CCC[C@H]1F 2006782872 YYWRYTAXWBHUDX-DGCLKSJQSA-N 302.187 3.268 10 10 DGCE Cc1ccc([C@H](C)n2nc(CC(C)C)cc2C(=O)O)c(O)c1 2069875482 FLESTFVBGUJOQG-LBPRGKRZSA-N 302.374 3.403 10 10 DGCE COC(=O)c1cc(C2CC2)nn1[C@H](C)c1c(O)cccc1F 2069960584 WOXAWDOEKMKFEO-SECBINFHSA-N 304.321 3.001 10 10 DGCE COc1ccc([C@@H](C)n2nc(C(C)C)cc2C(=O)O)c(O)c1 2069986164 RGYUHLILYICPCH-SNVBAGLBSA-N 304.346 3.028 10 10 DGCE Cc1cc(O)c([C@H](C)n2nc(C3CCC3)c(CN)c2N)cc1C 2079992604 GOMQAXDRYDVSDU-LBPRGKRZSA-N 314.433 3.123 10 10 DGCE C[C@H](N)c1ccc(N2CC(COC(F)(F)F)C2)c(Cl)c1 2156324036 PFZLFINSONHZAC-QMMMGPOBSA-N 308.731 3.332 10 10 DGCE CC(C)N[C@]1(C(=O)O)CCC[C@H](Sc2nccs2)[C@@H]1C 2175822031 BDXPXXOWDGVISK-COPLHBTASA-N 314.476 3.245 10 10 DGCE C[C@H](N[C@H]1CS[C@@H](C(F)(F)F)C1)c1c(O)cccc1O 2189225808 YEALAGXJFAFMID-VAOFZXAKSA-N 307.337 3.185 10 10 DGCE Cc1ncn(CCNCc2cc(Cl)cc(Cl)c2O)c1C 2193301545 PAQNOLWDFBAASB-UHFFFAOYSA-N 314.216 3.302 10 10 DGCE C[C@H](c1ccc(Cl)cc1O)N1CCO[C@@H](C(F)F)CC1 2203345212 DDQFQRYFQKIYEF-NOZJJQNGSA-N 305.752 3.463 10 10 DGCE CN(Cc1c(O)cccc1Cl)C[C@H](F)C1CCOCC1 2238365338 RSBVSMQXUABGEY-AWEZNQCLSA-N 301.789 3.242 10 10 DGCE CC(C)(C)OC(=O)N1CCCC(N)(c2ccccc2O)CCC1 2243785150 HDBZYSNVLDKONT-UHFFFAOYSA-N 320.433 3.357 10 10 DGCE CC1(C)[C@@H]2C[C@H]2CN1c1cc(Br)c(CN)cc1F 2256964129 HSGOGZJDJNUZCU-VHSXEESVSA-N 313.214 3.282 10 10 DGCE CCN(Cc1ccc(C)c(Br)c1O)[C@H]1CCOC1 2327566511 COTALPDFZDEQGT-LBPRGKRZSA-N 314.223 3.074 10 10 DGCE Cc1ccc(CN2CC[C@@H](C)CC2=O)c(O)c1Br 2327604034 VHGKOVSNDPMMKE-SECBINFHSA-N 312.207 3.222 10 10 DGCE Cc1ccc(CN(C)[C@@H](C)C(C)(C)O)c(O)c1Br 2327797618 ZLDXUGPJBLDSSQ-JTQLQIEISA-N 316.239 3.054 10 10 DGCE CCC1=NN(Cc2ccc(F)cc2)C(=O)C1=Cc1cccn1C 2332128919 RDBPZCIBEAZLGD-UHFFFAOYSA-N 311.360 3.356 10 10 DGCE COc1cc(Cl)sc1N1CCc2cc(O)c(O)cc2C1 2366929509 CBTZZUUURUGANF-UHFFFAOYSA-N 311.790 3.384 10 10 DGCE C[C@@H](NCCCN(C)Cc1ccccc1)c1cc(O)ccc1O 302832985 YDJUVEAFOISBRN-OAHLLOKOSA-N 314.429 3.271 10 10 DGCE C[C@H](N[C@H](Cc1ccccc1)CN(C)C)c1ccc(F)cc1O 185091554 MKDPNEWOXUGGIG-WMLDXEAASA-N 316.420 3.355 10 10 DGCE C[C@H](N)c1ccc(N2CCSC[C@@H]2C)c(Br)c1 70220165 RZRYMLOJWZXHAE-UWVGGRQHSA-N 315.280 3.411 10 10 DGCE C[C@@]12CC[C@@]1(C)C(=O)N(c1c(Cl)cc(N)cc1Cl)C2=O 2365778770 NICKPZXXTZWKMU-KBPBESRZSA-N 313.184 3.255 10 10 DGCE CO[C@]1(C(F)F)C[C@H](CNCc2ccc(Cl)cc2O)C1 2369068210 IYLJMLUYZQJXJO-DEZZCRIOSA-N 305.752 3.196 10 10 DGCE FC(F)Oc1ccc(N2CCC[C@@H](NCc3cocn3)C2)cc1 192319963 POKMMUIOIYGXAD-GFCCVEGCSA-N 323.343 3.035 10 10 DGCE O=S(=O)(Nc1cc(Cl)c(O)c(Cl)c1)C1CCCC1 97835592 FQZLQEOLQCBPKR-UHFFFAOYSA-N 310.202 3.383 10 10 DGCE CC(C)C[C@H](N)[C@@H](N)c1ccc(OCc2ccccc2)cc1O 95841546 PJQLCYOFKHNJFE-HKUYNNGSSA-N 314.429 3.344 10 10 DGCE CCN(C(=O)OC(C)(C)C)[C@@H](C)CNCc1ccccc1O 387554151 VFJGMFUHHPDQMK-ZDUSSCGKSA-N 308.422 3.127 10 10 DGCE CC[C@@H](NC[C@H](CO)c1ccccc1)c1ccc(F)cc1O 286299433 WPLBYIHJPAHRTI-RHSMWYFYSA-N 303.377 3.348 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)c1ccn(C)c1C 801549902 GIBXWJRIJXZRML-UHFFFAOYSA-N 300.402 3.482 10 10 DGCE CC[C@@H]1C[C@H](NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCO1 817165087 JIZWTKRUQUUMAT-FRFSOERESA-N 319.449 3.070 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCO[C@@H](CC)C1 817788953 LWYOEGQVGPCGCE-CVEARBPZSA-N 320.433 3.271 10 10 DGCE CCOc1ccc(CN2CCOCC23CCCCC3)c(O)c1 825098139 AZYCQWVNCJQVNX-UHFFFAOYSA-N 305.418 3.326 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)[C@H](C)Cc1ccco1 827956097 NZMQNENWFRFMJH-CQSZACIVSA-N 300.402 3.149 10 10 DGCE CN1CCC[C@]2(CCN(C/C=C\c3ccc(N(C)C)cc3)C2)C1 835055621 LVVDZWJBCMFFPT-MNBNYPOFSA-N 313.489 3.184 10 10 DGCE C[C@H](NC/C=C\c1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1 835052402 GIYFUMZIVTWPSM-ADELNMMNSA-N 310.441 3.478 10 10 DGCE CN(C)c1ccc(/C=C\CN2CC[C@@H](CN3CCCC3)C2)cc1 835026074 PEFSTINFGKLVHO-VOFKWLDRSA-N 313.489 3.184 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)C(C)(C)c1nccs1 900026140 JYUAWZIRJIYWPF-UHFFFAOYSA-N 317.458 3.145 10 10 DGCE CN(Cc1cccs1)c1ccc(CN2CC(C)(CO)C2)cc1 839145656 OXENWOQSNKIEJD-UHFFFAOYSA-N 316.470 3.199 10 10 DGCE C[C@@H](NC(=O)/C=C\C(C)(C)C)c1ccc(N2CCOCC2)cc1 733925510 LZTKLUXCNLOELI-FJVVXJACSA-N 316.445 3.303 10 10 DGCE CC(C)[C@@H]1N(C(=O)/C=C\c2ccc(O)c(O)c2)CC12CC=CC2 844094865 DHWPXMLTSHTROC-POZKEBTKSA-N 313.397 3.314 10 10 DGCE Cc1cccc(-n2c(C)cc(C(=O)N[C@H](C)C(C)(C)O)c2C)c1 746334606 SQFFRIALJSHBDX-OAHLLOKOSA-N 314.429 3.292 10 10 DGCE CCCCc1nnc(NC(=O)N2Cc3cccc(O)c3C2)s1 929252854 YEDSABNIBMZTHD-UHFFFAOYSA-N 318.402 3.134 10 10 DGCE Cc1cc(O)c(CN2C[C@]34CCCC[C@@]3(COC4)C2)cc1C 853624094 MKNXKUGURHRWRU-OALUTQOASA-N 301.430 3.402 10 10 DGCE C[C@@H](Nc1cccc(CCCO)c1)c1cc([N+](=O)[O-])ccc1O 757636837 GRPJTXFASHAZFC-GFCCVEGCSA-N 316.357 3.398 10 10 DGCE CCOC(=O)C1=CC[C@H](N[C@@H]2C[C@@H](C)c3c(F)ccc(O)c32)C1 858505486 LCORRNSTACVUME-SCDSUCTJSA-N 319.376 3.321 10 10 DGCE COC[C@@H](COc1ccc(N2CCCCC2)c(Cl)c1)OC 853725376 PNYXOADWSBARLG-AWEZNQCLSA-N 313.825 3.371 10 10 DGCE COc1ccc([C@H](C)CC(=O)NCc2c(O)cccc2F)cc1 928705587 LOUPSMRQDWLYTG-GFCCVEGCSA-N 317.360 3.350 10 10 DGCE C[C@@H](NCC1(O)CCC(F)(F)CC1)c1cc(F)cc(F)c1O 850565938 HYLPDLWPLJNBQD-SECBINFHSA-N 321.314 3.261 10 10 DGCE C[C@H](N[C@H]1C(=O)N(C)Cc2ccccc21)c1ccc(N(C)C)cc1 857874304 OECSNBHJEDJCEJ-IFXJQAMLSA-N 323.440 3.117 10 10 DGCE COc1cccc(O)c1CN(C)Cc1c(C)cc(C)nc1OC 857068877 IACCICNZRMQWGP-UHFFFAOYSA-N 316.401 3.053 10 10 DGCE C[C@@H](NC[C@H]1c2ccccc2CN1C)c1cc(F)ccc1O 866563049 JGJCBJSPIVCLTA-PXAZEXFGSA-N 300.377 3.369 10 10 DGCE Cc1cc(O)nc(C(C)(C)NCc2cc(Cl)cc(C)c2O)n1 862433341 VWUVTACDMMKASD-UHFFFAOYSA-N 321.808 3.183 10 10 DGCE O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21 864861999 IFVXLCQSZZBKLX-IQZDNPOKSA-N 310.441 3.195 10 10 DGCE CN(C)c1ccc(CNC(=O)c2ocnc2-c2ccccc2)cc1 1124479805 GSPPEEKZOABZFB-UHFFFAOYSA-N 321.380 3.338 10 10 DGCE COc1nc(N[C@@H](C)c2ccccc2O)ncc1Br 1877586486 LASMTJZOKZUCPK-QMMMGPOBSA-N 324.178 3.126 10 10 DGCE C/C(=C/C(=O)N(CC(F)(F)F)c1ccccc1)c1cnccn1 1125864870 GYUDUFRDCJJZCS-XFXZXTDPSA-N 321.302 3.475 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(N)cc2)[C@H](F)C1 1959367443 OHVXMDNFHSTFLE-ZIAGYGMSSA-N 309.385 3.028 10 10 DGCE Cc1ccc(O)c(CNC(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)c1 1312332456 NHVYCTNUJRZSJU-NZSAHSFTSA-N 322.408 3.228 10 10 DGCE CCCO[C@@H]1CCN(Cc2ccc(Br)cc2O)C1 701671113 ANFOJRBYTZNKDT-CYBMUJFWSA-N 314.223 3.156 10 10 DGCE O=C(O)[C@]1(Sc2nccs2)CC[C@@H]1OCc1ccccc1 1893523597 UNKGHSQIDIGITA-WFASDCNBSA-N 321.423 3.438 10 10 DGCE CO[C@H]1CC[C@H](NCc2ccc(N(C)C)cc2C(F)(F)F)C1 1324976940 UKMVBEDRTVUMKV-JSGCOSHPSA-N 316.367 3.429 10 10 DGCE CN(C[C@@]1(C)CC1(F)F)c1ccc(CN)cc1Br 689197368 WKLGJWNVLNYXNX-GFCCVEGCSA-N 319.193 3.389 10 10 DGCE Nc1ccc(C[C@@H](O)c2cccc(Br)c2F)cc1 696593560 HAHLQALCSDYRFD-CYBMUJFWSA-N 310.166 3.447 10 10 DGCE CCN(CC)c1ccc(CNC(=O)C(=O)C(C)(C)CC)cc1F 1293224711 FVVGSIVRULWMDK-UHFFFAOYSA-N 322.424 3.293 10 10 DGCE C[C@H](NC(=O)c1ccc2cnccc2n1)c1ccc(N(C)C)cc1 1529479935 NTJNWFSJMDSCTE-ZDUSSCGKSA-N 320.396 3.187 10 10 DGCE CN(C(=O)Cc1ccc(O)c(O)c1)c1cccc2ccccc12 1543911627 MVHYOJDYKIHYID-UHFFFAOYSA-N 307.349 3.457 10 10 DGCE C[C@@H](NC(=O)Cc1nsc2ccccc12)c1ccccc1O 1635793625 ADPLZNVNBTUYFF-LLVKDONJSA-N 312.394 3.422 10 10 DGCE CC(C)[C@H](Cc1ccccc1)C(=O)NCc1c(O)cccc1O 1635847367 MUZNTCPLJMWDSP-HNNXBMFYSA-N 313.397 3.229 10 10 DGCE CNc1ccc(Cl)c(C(=O)NCc2cc(C)ccc2O)c1 1645804770 JOCPTRAMXHPZSU-UHFFFAOYSA-N 304.777 3.326 10 10 DGCE C[C@@H](NC(=O)c1cc2c(cc1O)CCCC2)c1ccccc1O 1648889592 CGIPCHPAWPAUKU-GFCCVEGCSA-N 311.381 3.468 10 10 DGCE Nc1ccc(CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 152478839 HOHMZZIBVYNDDG-UHFFFAOYSA-N 323.223 3.477 10 10 DGCE Cc1cc(/C=C/C(=O)N2CCC[C@@H]2CO)c(C)n1-c1ccccc1 153840829 GKECRJALWJDJJH-GNISGLHKSA-N 324.424 3.091 10 10 DGCE CN(C[C@@H]1C2C[C@@H]3C1[C@@H]3C2)c1ccc(CO)cc1Br 2134489306 LFDPUXKXVSJCAN-AQCKVWFBSA-N 322.246 3.280 10 10 DGCE CC[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)[C@@H]1C(=O)O 1968201324 GXHAMVFSGCCBTM-UFBFGSQYSA-N 318.200 3.384 10 10 DGCE Cc1ccc(O)c([C@H]2C[C@@H](N)CCN2C(=O)OC(C)(C)C)c1 1952150510 ZDZKWPWXQRGYSM-GXTWGEPZSA-N 306.406 3.100 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H](N)C[C@H]1c1cccc(Cl)c1O 1952445905 AJSVUZJXEHBCJI-SKDRFNHKSA-N 312.797 3.055 10 10 DGCE Cc1ccc([C@H](C)N[C@@H]2C[C@H]2CNC(=O)OC(C)(C)C)c(O)c1 1973251398 QUFOJKNGAMPJFQ-KCQAQPDRSA-N 320.433 3.264 10 10 DGCE Cc1cccc(N)c1N[C@@H]1C[C@H]2C[C@H]1CN2C(=O)OC(C)(C)C 1977677972 IYWBSFYLEKLLIH-GZBFAFLISA-N 317.433 3.387 10 10 DGCE CN(C)c1ccc([C@@H](O)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 1977956879 BFWLTXCQLOJBGK-HZPDHXFCSA-N 320.433 3.186 10 10 DGCE OCCCN(Cc1ccccc1)c1ccc2c(c1)CCC[C@H]2O 1986600667 PDWUFOTVMRGQDT-HXUWFJFHSA-N 311.425 3.445 10 10 DGCE CN(C)c1ccc([C@H](N)[C@H]2CC[C@H]2NC(=O)OC(C)(C)C)cc1 1994869334 VOKIDXMOCNXDDX-XHSDSOJGSA-N 319.449 3.056 10 10 DGCE C[C@H]1CCOCCN1c1ccc([C@@H](C)N)c(Br)c1 2031623654 DXUMZUCZCYEUAC-WDEREUQCSA-N 313.239 3.084 10 10 DGCE CCNCc1cc(F)c(N2CCS[C@H](C)CC2)c(F)c1 379552126 SCJIFNQINOAXAB-LLVKDONJSA-N 300.418 3.406 10 10 DGCE C[C@H]1CN(Cc2ccccc2)CCN1C(=O)Nc1ccc(N)cc1 382758312 SXVBOOSOTRRSNN-HNNXBMFYSA-N 324.428 3.007 10 10 DGCE C[C@@H]1C[C@]1(C)CNCc1cc(Br)cc(F)c1O 715736858 IILRRBJKSAQABI-AMIZOPFISA-N 302.187 3.430 10 10 DGCE Cc1ccc(O)c(CNCc2nccn2Cc2ccccc2)c1 742382527 CBZGDVWFDACHKT-UHFFFAOYSA-N 307.397 3.235 10 10 DGCE CCNCc1ccc(N(C)C[C@H]2OCC[C@H]2F)cc1Cl 2179098514 APEOHBBMIJKWJO-HUUCEWRRSA-N 300.805 3.013 10 10 DGCE COc1ccc(Cl)cc1N(C)C(=O)/C=C\c1cnn(C)c1C 255892302 SNZOBKKUYNOHHW-YVMONPNESA-N 319.792 3.067 10 10 DGCE CC(C)[C@@H]1CN(C)CCN1Cc1cc(Cl)cc(Cl)c1O 2170603726 IJHFABCNPPCUKF-AWEZNQCLSA-N 317.260 3.471 10 10 DGCE O=Cc1c(C2CC2)nn(Cc2c(O)cccc2F)c1C(F)F 2079140937 VAZSUWXWIHOUAW-UHFFFAOYSA-N 310.275 3.404 10 10 DGCE COC[C@@]1(C)CCCN1Cc1ccc(Br)cc1O 2084138340 OZAUDBRDEPSLQC-CQSZACIVSA-N 314.223 3.156 10 10 DGCE COc1ccc(N2CCN[C@@H](C)[C@@H]2C(F)(F)F)cc1Cl 2202997273 JBACUNBXKARCGO-QPUJVOFHSA-N 308.731 3.078 10 10 DGCE CN[C@H](C)c1ccc(N(C)C[C@@]2(F)CCOC2)c(Cl)c1 2238285069 OYYRQWJHKGCJCW-ABAIWWIYSA-N 300.805 3.185 10 10 DGCE CCOC(=O)c1cnc(SCC2(OC)CCCC2)s1 2265546362 LXCLWOXMGSAYOY-UHFFFAOYSA-N 301.433 3.371 10 10 DGCE O=C1C(=Cc2ccncc2)SC(=S)N1c1ccc(O)cc1 2296881940 DVSAWDNNQKTKOI-UHFFFAOYSA-N 314.391 3.193 10 10 DGCE [N-]=[N+]=NCCCS(=O)(=O)Cc1ccccc1Br 2302440989 HIXYSOPHKISQSZ-UHFFFAOYSA-N 318.196 3.064 10 10 DGCE COc1c(I)ccc2scc(O)c12 307100688 XZVVPRPWTDWKAC-UHFFFAOYSA-N 306.124 3.220 10 10 DGCE Cc1cccc(N2C(=O)N=C(O)/C(=C/c3cc(C)[nH]c3C)C2=O)c1 34209822 IDPNRTQERPGYPA-DHDCSXOGSA-N 323.352 3.447 10 10 DGCE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCC3)cccc21 75288485 UOERFHZSIWWHHQ-UHFFFAOYSA-N 305.333 3.201 10 10 DGCE Cc1cc(O)c(CN2CCn3c(C(C)C)nnc3[C@@H]2C)cc1C 190227132 QRZAZSGGHHBTAP-AWEZNQCLSA-N 314.433 3.301 10 10 DGCE CC(C)C[C@@](C)(O)CNCc1cccc(Br)c1O 90267863 AIIKBCLWJDDQHC-CQSZACIVSA-N 316.239 3.041 10 10 DGCE CC(C)(C)C[C@H](N)c1ccc(I)cc1O 238080845 DAGDUMFGTXKHSC-JTQLQIEISA-N 319.186 3.433 10 10 DGCE Cc1cc(S(=O)(=O)Nc2ccc(N)cc2)sc1Cl 231806036 SNNHIBSUOICJKL-UHFFFAOYSA-N 302.808 3.093 10 10 DGCE O=S(=O)(Nc1ccc(O)c(F)c1)c1ccc(F)cc1Cl 1258915898 QRNLVIPTKNYRMU-UHFFFAOYSA-N 319.716 3.125 10 10 DGCE CC[C@H](NC1CCN(C(=O)C(C)C)CC1)c1ccc(C)cc1O 280175691 RIPARAOJGIRODH-KRWDZBQOSA-N 318.461 3.388 10 10 DGCE C[C@H](O)c1ccc(N(C)Cc2ncc(Cl)n2C)cc1Cl 2166116006 WPXDKJDADCCZTF-VIFPVBQESA-N 314.216 3.417 10 10 DGCE C[C@H](N[C@@H]1CCNC[C@H]1C)c1cc(Cl)c(Cl)cc1O 817969233 AAWDAGMUEPNMFB-VYUIOLGVSA-N 303.233 3.348 10 10 DGCE COCC[C@H](COC)N[C@@H](C)c1cc(Cl)cc(C)c1O 810257736 UYDTWHWVKAAAID-WCQYABFASA-N 301.814 3.056 10 10 DGCE COCCN1C(=O)/C(=C/c2ccc([C@@H]3C[C@@H]3C)o2)SC1=S 824411936 GWUFRYMJIBXDTF-MMFTZZHKSA-N 323.439 3.251 10 10 DGCE COC1CCN(c2ccc(CN3CC[C@@H](C)[C@@H](F)C3)cc2)CC1 828736592 HHYFYXWCVWNEAY-BEFAXECRSA-N 320.452 3.482 10 10 DGCE CN(C)c1ccc(CNC(=O)NCC2CCC(F)CC2)cc1 825602339 JNOZTWKASXIBDN-UHFFFAOYSA-N 307.413 3.080 10 10 DGCE Cc1cc(CN2[C@H]3CC[C@H]2[C@H](CO)C3)ccc1N1CCCCC1 829962691 POFJVEKKTGFHLT-BJLQDIEVSA-N 314.473 3.331 10 10 DGCE Oc1cccc2c1[C@H](NC[C@H]1CC[C@@H](C(F)(F)F)O1)CC2 903174994 BRECDKGGDNSCQR-WZRBSPASSA-N 301.308 3.079 10 10 DGCE CC1=CC[C@@](C)(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)CC1 831931813 VCNIIUYYHZNBDF-FZKQIMNGSA-N 303.402 3.282 10 10 DGCE CC[C@@H](NC[C@]1(CO)CCc2ccccc21)c1ccccc1O 846012376 YXGTUBBNQRGTIN-QUCCMNQESA-N 311.425 3.309 10 10 DGCE Cc1cc(N(C)C)ccc1CN1CCC[C@H]([C@H]2CCOC2)C1 840920814 JYWIZTZWFKFXNW-ROUUACIJSA-N 302.462 3.310 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)NCC2CSC2)cc1 923814478 FLGOZJZNNDDKCF-UHFFFAOYSA-N 321.490 3.037 10 10 DGCE CCOc1ccc(CNC[C@@H]2Cc3ccccc3CO2)c(O)c1 858211030 CVMKUTFGCLUCOA-SFHVURJKSA-N 313.397 3.022 10 10 DGCE COc1cccc([C@@H](C)NC[C@@H]2CCC23CCOCC3)c1O 866532055 VIMOAZVPLXUPSY-KGLIPLIRSA-N 305.418 3.258 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2coc(C3CCCC3)n2)c1 862757453 UZNQELIIAOUYNB-UHFFFAOYSA-N 300.358 3.276 10 10 DGCE COc1ccc2ccc(O)c(CN3CCO[C@@H](C4CC4)C3)c2c1 776773658 USESXCCVQSYXDP-LJQANCHMSA-N 313.397 3.165 10 10 DGCE Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N(C)CCCO)c1 1326007613 KWVZSKAKIPWXJN-UHFFFAOYSA-N 320.820 3.202 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@]1(C)C=CCC1 1529277413 GNTYAJZVIPFPJS-KXBFYZLASA-N 300.446 3.465 10 10 DGCE CCN(CC)c1ccc(CNC(=O)Cc2ccncc2C)cc1 1464297902 MVQUBSGRTYQPAH-UHFFFAOYSA-N 311.429 3.095 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(Cl)c(O)c2)c1 1465993975 ZZGVZUVLWHPCQS-SECBINFHSA-N 321.760 3.251 10 10 DGCE Cc1ccc(C(=O)NCC2CC2)cc1-n1c(C)cc(C=O)c1C 1540577106 LAIQQCWJKIMAIL-UHFFFAOYSA-N 310.397 3.355 10 10 DGCE CSc1cc(C)ccc1CNC(=O)c1c(F)ccc(O)c1O 1638477272 GAENEGWBGKRWBI-UHFFFAOYSA-N 321.373 3.197 10 10 DGCE COC(=O)/C=C\c1ccc(N2CC(C)(C)C[C@@H]2C)c([N+](=O)[O-])c1 1651150982 DPCMPZNMLLEZBO-VFFGBVLKSA-N 318.373 3.406 10 10 DGCE CCCNCc1ccc(N(C)C[C@@H](C)O)c(C(F)(F)F)c1 163709290 LRJKLJLBZJHKEE-LLVKDONJSA-N 304.356 3.022 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)c2cccc(OC)c2F)c1 153919126 VJRROKWRIGOSBE-SNVBAGLBSA-N 319.332 3.040 10 10 DGCE CCOC(=O)C1CCN(/N=N/c2ccccc2OCC)CC1 1860483851 MFTNWONBQPYWCJ-ISLYRVAYSA-N 305.378 3.359 10 10 DGCE Cc1ccc(CN[C@@]2(C)CCN(Cc3ccccc3)C2)c(O)c1 1652753999 FBPFFARWEUWAKI-FQEVSTJZSA-N 310.441 3.455 10 10 DGCE CNCc1cc(F)c(N(Cc2ccccc2)C2COC2)c(F)c1 1915650313 AOXMFDJUUPOJFL-UHFFFAOYSA-N 318.367 3.090 10 10 DGCE CCCN(c1ccc(N)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1977970114 JLKMKPTYCUMUAS-MRXNPFEDSA-N 319.449 3.495 10 10 DGCE Cc1sc(Br)nc1CN1CC[C@H](CN=[N+]=[N-])C1 2004969388 MNZYFFSUEGGUIG-MRVPVSSYSA-N 316.228 3.346 10 10 DGCE N[C@@H]1CCCc2cc(N3CCN(Cc4ccccc4)CC3)ccc21 2012682930 HONLRFIGLKMFLP-OAQYLSRUSA-N 321.468 3.345 10 10 DGCE CC1(C)CC[C@H](CNCc2cc(Br)ccc2O)O1 189723768 YTSUXPNQYOBHRG-GFCCVEGCSA-N 314.223 3.202 10 10 DGCE C[C@H]1CCN(Cc2ccc(Br)cc2O)C[C@H]1F 825440813 LDOORQMCGDKLGI-JOYOIKCWSA-N 302.187 3.335 10 10 DGCE CCc1nn([C@H](C)c2ccc(C)cc2O)c(Br)c1N 2079137346 MQVDIOIOITXBBI-SECBINFHSA-N 324.222 3.414 10 10 DGCE CC[C@H](c1ccc(OC)cc1O)n1nc(C)c(C=O)c1Cl 2079956317 JMWBHBQIVTWHJD-CYBMUJFWSA-N 308.765 3.371 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@H](C2CCCCC2)C1 1452956301 QOYMXWDFCTUODX-HNNXBMFYSA-N 303.402 3.069 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@@H]3C[C@@H]3[C@H]3C[C@H]32)c(Br)c1 2053731831 YQPHRBFMDJCPND-JJKIJVRYSA-N 307.235 3.313 10 10 DGCE Cc1cc(CN)ccc1N1C[C@@](C)(F)[C@](C)(Br)C1 2084852586 QCBKPBJKZBHWMT-ZIAGYGMSSA-N 315.230 3.156 10 10 DGCE C[C@@H](O)c1ccc(N(C)Cc2cccn2C)cc1Br 2114546872 ZSFWRGUULDXVCR-LLVKDONJSA-N 323.234 3.477 10 10 DGCE COCCNCc1ccc(Sc2nccs2)cc1OC 2204543651 QKSHLVGSHCPZPG-UHFFFAOYSA-N 310.444 3.039 10 10 DGCE [N-]=[N+]=NCC1(CNC(=O)c2cc(Cl)cnc2Cl)CC1 2228450935 NNZZZZUBHHMYON-UHFFFAOYSA-N 300.149 3.209 10 10 DGCE Oc1c(Cl)cccc1CN1CCC[C@H](OCC(F)F)C1 2279282798 GMAQSSQIFVGYEO-NSHDSACASA-N 305.752 3.292 10 10 DGCE C[C@H](N)c1ccc(N2CCO[C@H](P(C)(C)=O)C2)cc1Cl 2289307260 RJLMEPIMAKELSK-IINYFYTJSA-N 316.769 3.145 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc2ncsc2c1 2307990388 MQYJPFQMFYLDHG-UHFFFAOYSA-N 312.350 3.359 10 10 DGCE COC(=O)Cc1nc2cccc(C)n2c1N=Nc1cccc(O)c1 2320770868 IXVMNROPGGPLBH-UHFFFAOYSA-N 324.340 3.479 10 10 DGCE Cc1ccc(CN2CCC[C@H](C)C2=O)c(O)c1Br 2327602123 FELXSHMDNLJTTF-JTQLQIEISA-N 312.207 3.222 10 10 DGCE Cc1cc(C(=O)N2C[C@H](C)O[C@H](C)C2)c(C)n1-c1ccccc1 68851460 HJIXJTSSQQVOAB-GASCZTMLSA-N 312.413 3.344 10 10 DGCE C[C@@](NCCN=[N+]=[N-])(C(=O)O)c1cc(F)c(Cl)cc1Cl 90256499 XFSINSNSSGZHQU-NSHDSACASA-N 321.139 3.332 10 10 DGCE CCOCCN(C)c1c(F)cc(CNC(C)(C)C)cc1F 157345901 XOCJIUBBXNAYAU-UHFFFAOYSA-N 300.393 3.326 10 10 DGCE COc1ccc(O)c(CN2CCO[C@H](c3ccsc3)C2)c1 180545292 LBHFOSONUSBWHQ-INIZCTEOSA-N 305.399 3.036 10 10 DGCE C[C@@H](NCc1ccnc(OCC(F)F)c1)c1ccccc1O 183644345 RREYXIQPCZZBJS-LLVKDONJSA-N 308.328 3.282 10 10 DGCE C[C@H](NCC(C)(C)NC(=O)OC(C)(C)C)c1ccc(O)cc1O 227710066 JDPATRHZZQXTOH-NSHDSACASA-N 324.421 3.052 10 10 DGCE CSCCN(C)c1ccc([C@H](C)N)c(Br)c1 235064127 WTIWFUWEOGSYDM-VIFPVBQESA-N 303.269 3.268 10 10 DGCE C[C@@H](NC[C@H](O)C(F)(F)F)c1cc(Cl)c(Cl)cc1O 278332568 WNZYDVOJKAGDLS-FWOIEVBISA-N 318.122 3.273 10 10 DGCE CC(C)c1nc([C@H](C)NCc2cc(Cl)c(F)cc2O)n[nH]1 293547732 GRLDNLFWEBGFHC-QMMMGPOBSA-N 312.776 3.277 10 10 DGCE C[C@@H](N)c1cc(OC(F)(F)F)c(Br)cc1O 309559642 PVIBFXGQBIYDOH-SCSAIBSYSA-N 300.074 3.073 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)N1C[C@@H]2CC[C@H](C1)O2 374097767 UTYCUHNQHALVOX-OKILXGFUSA-N 316.426 3.159 10 10 DGCE Cc1cc(Br)c(O)c(CN[C@@H]2CCSC2)c1 381563065 RXULGDGVUVWJLR-SNVBAGLBSA-N 302.237 3.058 10 10 DGCE C[C@@H](COCc1ccccc1)N[C@H](C)c1c(O)cccc1O 390550817 CCGPZEXYFMIREV-UONOGXRCSA-N 301.386 3.354 10 10 DGCE Cc1ccc(/C=C\C(=O)N2C[C@H](C)C(=O)Nc3ccccc32)cn1 493466473 RVRNLGUTKHFXOQ-XPSMFNQNSA-N 321.380 3.025 10 10 DGCE CN1CCc2cc(CNCCSCC(F)(F)F)ccc21 698957461 MIEMUNGZBFVJKK-UHFFFAOYSA-N 304.381 3.064 10 10 DGCE CC[C@@H]1OCC[C@H]1CNCc1ccc(Br)cc1O 701143190 SDGPRYBFTFLCSB-FZMZJTMJSA-N 314.223 3.059 10 10 DGCE CCC[C@@H]1COC[C@H]1NCc1c(O)cccc1Br 706881291 NVXPVOKAJJHNSF-ZWNOBZJWSA-N 314.223 3.059 10 10 DGCE Oc1c(Br)cc(Cl)cc1CNN1CCCCC1 708055127 BMIASOJRDMKDLW-UHFFFAOYSA-N 319.630 3.299 10 10 DGCE C[C@H]1C[C@H]1CNC(=O)N(Cc1ccco1)Cc1ccccc1O 726100833 XPALTPOXEBTEGC-ZFWWWQNUSA-N 314.385 3.353 10 10 DGCE COc1ccc(O)c(CN2CCO[C@@H](C3CCCCC3)C2)c1 758062592 LSJTVVMBBBWQOZ-GOSISDBHSA-N 305.418 3.182 10 10 DGCE Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1ccccc1O 772411752 ZALNIRQIQBULHP-UHFFFAOYSA-N 320.732 3.192 10 10 DGCE C[C@@H](NC(=O)NC[C@@H]1CCC(C)(C)O1)c1ccc(N(C)C)cc1 777637169 HAAFAIJASFRGCM-CJNGLKHVSA-N 319.449 3.070 10 10 DGCE Cc1ccccc1NC(=S)NNc1cccc(F)c1[N+](=O)[O-] 790607961 JUFZZLFAHBNJSH-UHFFFAOYSA-N 320.349 3.356 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCC[C@H](N3CCCC3)C2)cc1 835025565 KTTTZRKMPDWNSQ-CYXJOQHWSA-N 313.489 3.326 10 10 DGCE CN(C)c1ccc(/C=C\CNCCn2cnc3ccccc32)cc1 835037598 REDICKZEYQIOOJ-WAYWQWQTSA-N 320.440 3.405 10 10 DGCE C[C@H](NCCC1(CN)CC1)c1ccc(N2CCCCC2)cc1 844923068 PTRXNDJEGFHQAY-INIZCTEOSA-N 301.478 3.457 10 10 DGCE CC[C@@H](NC[C@H](C)N1C[C@H](C)O[C@H](C)C1)c1ccc(F)cc1O 848559409 WIOKSPKHWCNLHF-SZOQZIPDSA-N 324.440 3.070 10 10 DGCE COC(=O)c1ccc(O)c([C@H](C)NCC2(C)C[C@H]3C[C@@H]3C2)c1 858536432 HTKJUGKNQZEIBH-IACUBPJLSA-N 303.402 3.266 10 10 DGCE CN(C)c1cc(F)c(CN2CCC[C@@H]([C@@H]3CCOC3)C2)cc1F 862253102 IQZWHLUSIDGSKW-ZIAGYGMSSA-N 324.415 3.279 10 10 DGCE CCOCC(C)(C)CNC(=O)c1cc2cc(O)c(O)cc2s1 897783174 KXULGQGDIZGKSX-UHFFFAOYSA-N 323.414 3.105 10 10 DGCE Cc1cc(CNC/C=C/c2ccc(N(C)C)cc2)oc1C(=O)O 901943247 WPQPBNXJKHIJPO-SNAWJCMRSA-N 314.385 3.155 10 10 DGCE Cc1ccc(C(=O)NCc2ccc3cccnc3c2O)c(C)c1 1142728496 VRWINLJGHQDTLU-UHFFFAOYSA-N 306.365 3.487 10 10 DGCE CSCc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 1143696325 HVLOXUUALGQNFN-UHFFFAOYSA-N 303.383 3.142 10 10 DGCE CCN(C)c1ccc(CNC(C)(C)C(=O)OC(C)(C)C)cc1 1175260111 KJPSILSJQKQKLA-UHFFFAOYSA-N 306.450 3.353 10 10 DGCE CCC1(C(=O)NC[C@@H](C)NCc2ccc(OC)c(C)c2)CCC1 1265810762 FRPZCAFKNJKNGU-OAHLLOKOSA-N 318.461 3.178 10 10 DGCE O=C(/C=C\c1ccc2ccccc2n1)N1Cc2cccc(O)c2C1 1302788467 WWNFKXYIUZROQG-KHPPLWFESA-N 316.360 3.496 10 10 DGCE C[C@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1O 1471194042 BIYMMHPOVVPOKC-NEPJUHHUSA-N 314.341 3.281 10 10 DGCE O=C(NCc1c(O)cccc1F)c1cccc(-n2cccc2)c1 1471975006 OXDJISHBHQIECP-UHFFFAOYSA-N 310.328 3.252 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C 1584094301 FGOJOSHLMIJDNU-WKBVASEUSA-N 314.473 3.400 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)Nc1ccc2nc(C3CC3)oc2c1 1621770236 LSCMEOXIXKXFTR-UHFFFAOYSA-N 324.336 3.298 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)[C@@H]1[C@@H](C)[C@H]1OCC 1626159942 DBWJOTPNSMGGSQ-KBRIMQKVSA-N 305.418 3.192 10 10 DGCE CC(C)CCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 1627464606 OXRRMRDLUWHLRG-GOSISDBHSA-N 319.493 3.298 10 10 DGCE O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1cc(F)c[nH]1 1629107411 IAODMDBQSXOAIX-UHFFFAOYSA-N 321.315 3.116 10 10 DGCE Cc1cccc2c(CCC(=O)NCc3cc(O)ccc3O)c[nH]c12 1633595016 DZZAXDWKUCRGGH-UHFFFAOYSA-N 324.380 3.137 10 10 DGCE COc1ccc([C@H](C)NC(=O)c2ccc(C)c(O)c2O)cc1C 1634135453 KXVRIKMOQGISEJ-LBPRGKRZSA-N 315.369 3.214 10 10 DGCE C[C@H]1C[C@H](C(=O)NCc2c(O)ccc3ccccc23)CCC1=O 1639384442 KMANOLLMULSCHE-GXTWGEPZSA-N 311.381 3.167 10 10 DGCE O=C(NCc1c(O)cccc1F)c1cc2c(F)cccc2[nH]1 1645048233 MNQIKISIKBGWQA-UHFFFAOYSA-N 302.280 3.082 10 10 DGCE O=C(/C=C\Sc1ccccc1)NCc1c(O)cccc1O 1647289409 CJUOGLOWWYDJRP-KTKRTIGZSA-N 301.367 3.020 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1C[C@H]2C=C[C@H]1C2 1676749874 BBERXNYTQXLXDF-ULQDDVLXSA-N 313.445 3.106 10 10 DGCE CC(C)(C)/C=C\C(=O)NCc1cccc(Br)c1O 1772949368 PNCCRYNZMKKVLW-FPLPWBNLSA-N 312.207 3.373 10 10 DGCE CC(C)(O)CN(Cc1ccccc1)c1ccc(CN)c(F)c1F 1915404312 LXWHLHXBAYWHOF-UHFFFAOYSA-N 320.383 3.201 10 10 DGCE CC(C)(C)OC(=O)N1CCCCC(=O)[C@@H]1Cc1ccc(N)cc1 1952916862 SNLRAMWVOJSDMC-HNNXBMFYSA-N 318.417 3.170 10 10 DGCE CCN(C[C@H](O)c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C 1959567703 KLOPFUJQGXXEAU-HNNXBMFYSA-N 308.422 3.043 10 10 DGCE C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1c1ccc(N)cc1 1959572005 LLKXQRKJQWWIEQ-QWHCGFSZSA-N 305.422 3.008 10 10 DGCE CC(C)(C)OC(=O)NC[C@H]1CN(CCN=[N+]=[N-])C2(CCC2)C1 1962298957 JVZYRKDXJYIAJT-LBPRGKRZSA-N 309.414 3.066 10 10 DGCE CCCN(C(=O)OC(C)(C)C)[C@@H](C(=O)O)c1c(C)cccc1O 1976874208 TYRKJLWERVTLRL-CQSZACIVSA-N 323.389 3.473 10 10 DGCE CC[C@](C)(NC(=O)OC(C)(C)C)[C@@H](N)c1ccc(N(C)C)cc1 1977944401 FMPVRZAAFGZOMS-YJBOKZPZSA-N 321.465 3.446 10 10 DGCE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)CN1c1ccc(N)cc1 1977954194 YZEQJMKSULTVNV-KBPBESRZSA-N 319.449 3.351 10 10 DGCE C[C@H]1N(Cc2ccccc2)CC[C@]1(N)c1ccc(N(C)C)cc1 1977960740 WGHWNYWEPQHTHC-OXQOHEQNSA-N 309.457 3.201 10 10 DGCE CC1(CCNCc2ccccc2O)CN(C(=O)OC(C)(C)C)C1 1984660297 DXZWKUWJTJVUOK-UHFFFAOYSA-N 320.433 3.129 10 10 DGCE C[C@H](O)c1ccc(N2CC3(CC(F)C3)C2)c(Br)c1 2051891249 CNYFILYRWFCRFJ-VIFPVBQESA-N 314.198 3.441 10 10 DGCE CC1(C)CCC(CC(=O)NCc2c(O)cc(O)cc2O)CC1 2062185667 CQRLGUMTTWFDSQ-UHFFFAOYSA-N 307.390 3.026 10 10 DGCE CO[C@@H]1CC[C@H]1CCNCc1cc(Br)ccc1O 2066823236 AKKLLPIBQXMUKT-IINYFYTJSA-N 314.223 3.059 10 10 DGCE COC(=O)c1cc(C(C)C)nn1[C@@H](C)c1cc(OC)ccc1O 2069953793 AHNXGFOXUKMJIN-NSHDSACASA-N 318.373 3.117 10 10 DGCE Oc1ccc(F)cc1Cn1ncc(Br)c1C(F)F 2079082832 VJPLHVNZPCOOQM-UHFFFAOYSA-N 321.096 3.476 10 10 DGCE CN(Cc1ccc(Br)o1)C(=O)Nc1ccc(N)cc1 2113581194 LWTBYIRDCOWNHR-UHFFFAOYSA-N 324.178 3.288 10 10 DGCE CC(C)SC1CN(c2ccc(CN)c(C(F)(F)F)c2)C1 2153907996 VEPOXZHMSKENRT-UHFFFAOYSA-N 304.381 3.494 10 10 DGCE COCCN(c1ccc([C@@H](C)N)cc1Cl)[C@@H]1CCSC1 2170139914 MIXBIAXTGNBDSM-DGCLKSJQSA-N 314.882 3.318 10 10 DGCE CO[C@H]1CC[C@@H](CN(C)c2cc(Cl)c(CN)cc2F)C1 2177387755 IYHOOEMWVCDYLU-PWSUYJOCSA-N 300.805 3.189 10 10 DGCE C[C@@H](c1ccc(Cl)cc1O)N1CCO[C@](C)(C(F)F)C1 2203362102 MQVKRXOUQBZVFE-XPTSAGLGSA-N 305.752 3.463 10 10 DGCE CCN[C@@](CSc1nccs1)(C(=O)OCC)C(C)(C)C 2207857275 QVANYIQDRFGPKO-AWEZNQCLSA-N 316.492 3.193 10 10 DGCE CCOc1ncc(CN(C)c2ccc(CN)cc2Cl)s1 2239975156 OWQNHAZPSDSBMI-UHFFFAOYSA-N 311.838 3.290 10 10 DGCE CC(C)(C)[C@H]1C[C@H](S(=O)(=O)Nc2ccc(O)c(F)c2)C1 2240472399 HUZYJQFZPWYXTA-HOMQSWHASA-N 301.383 3.098 10 10 DGCE C[C@@H]1COC(C)(C)CN1Cc1cccc(Br)c1O 2256728248 FQTWWWIEFXLKAV-SNVBAGLBSA-N 314.223 3.154 10 10 DGCE CS[C@@H]1CC[C@@H]1N(C)c1ccc(CO)c(Br)c1 2307888847 YJLXKXQETLFWJI-QWHCGFSZSA-N 316.264 3.272 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)NCc1ccc(F)c(Cl)c1 2307987049 ZBAXBTDAOBPSOF-UHFFFAOYSA-N 321.735 3.220 10 10 DGCE Oc1c(Br)cccc1CN[C@@H]1[C@@H]2[C@H]1CCC2(F)F 2309461351 FJGDMCJLXFGDGQ-MIMYLULJSA-N 318.161 3.288 10 10 DGCE Cc1ccc(CN[C@@H]2[C@@H]3[C@H]4C[C@H]5[C@@H]2[C@H]5[C@@H]43)c(O)c1Br 2352947050 PEBKZXVNKYTCIW-BMOVTVBKSA-N 320.230 3.063 10 10 DGCE c1cnn(-c2ccc(CNCc3ccc4c(c3)CCO4)cc2)c1 54175296 MBZLVGDYTXGOSR-UHFFFAOYSA-N 305.381 3.097 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)NC[C@@H](C)N(CC)CC 66699452 DVWXOTXFCPEWKI-OAHLLOKOSA-N 321.465 3.044 10 10 DGCE c1cc2c(cc1N1CCC[C@@H](NC3CCCCC3)C1)OCO2 108114704 AMPOHZOEFVVSGS-OAHLLOKOSA-N 302.418 3.306 10 10 DGCE COc1ccc2ccc(O)c(CN(C)C[C@@H]3CCCO3)c2c1 151740867 YHDBGMSNMUTOMI-HNNXBMFYSA-N 301.386 3.165 10 10 DGCE CC(=O)c1cc(Cl)cc(CN(C)[C@H]2CCN(C)[C@H](C)C2)c1O 177291969 WJMJADUDRHCCAF-ABAIWWIYSA-N 324.852 3.163 10 10 DGCE C[C@@H](NC[C@@H]1CCCN1C)c1ccc(Cl)c(Cl)c1O 185142610 IEGQAVQZGAAXPF-ZJUUUORDSA-N 303.233 3.444 10 10 DGCE COc1ccc(OCCN[C@@H](C)c2ccc(F)c(F)c2O)cc1 191189241 OIYHJWFVBNWWNB-NSHDSACASA-N 323.339 3.409 10 10 DGCE Nc1ccc(Oc2c(Br)cccc2[N+](=O)[O-])nc1 236356200 JKQBONMVTGFPCA-UHFFFAOYSA-N 310.107 3.127 10 10 DGCE Cc1cc(C)n2nc(N)c(N=Nc3ccc(C(=O)O)cc3)c2n1 254742589 JZNBUCDKGYVJAN-UHFFFAOYSA-N 310.317 3.042 10 10 DGCE CC(C)CCCNC(=O)/C=C\c1ccc(N2CCOCC2)cc1 255134194 MEOGKCRPGMZVBU-YFHOEESVSA-N 316.445 3.089 10 10 DGCE Cc1ccc([C@@H](C)NCCNC(=O)c2ccccc2)c(O)c1C 273620676 YYMGMLNMMYICFG-OAHLLOKOSA-N 312.413 3.090 10 10 DGCE COc1cc(I)c2c(O)csc2c1 306942792 UFSRIQGLLSMPSH-UHFFFAOYSA-N 306.124 3.220 10 10 DGCE C[C@@H]1OCCN(c2ccc([C@@H](C)N)cc2Br)[C@H]1C 380581822 XTMBSYLIJQODBX-VWYCJHECSA-N 313.239 3.082 10 10 DGCE CCN[C@H](C)c1ccc(N(C)[C@H](C)C[S@@](C)=O)cc1Cl 399259107 ORLMYQGNYNIEAU-FKANQGBASA-N 316.898 3.214 10 10 DGCE Cc1cc(/C=C\C(=O)N2CCC[C@H]2CO)c(C)n1-c1ccccc1 588528719 GKECRJALWJDJJH-GDWUOILNSA-N 324.424 3.091 10 10 DGCE C[C@H](O)c1ccc(N2CC(C(F)F)C2)cc1Br 706504775 RRAQZRPNPZJNDL-ZETCQYMHSA-N 306.150 3.204 10 10 DGCE Oc1cccc(Br)c1CNCC1C2(CC2)C12CC2 716543107 YIESFBLRKMDUHO-UHFFFAOYSA-N 308.219 3.435 10 10 DGCE CN(C[C@@H]1CCSC1)c1ccc(CN)c(Br)c1 718475898 AZHMGEQICFEGGP-JTQLQIEISA-N 315.280 3.097 10 10 DGCE O=[N+]([O-])c1cc(Cl)cc(CNCc2ccc(Cl)o2)c1O 725841935 RTYSCNZATACWQI-UHFFFAOYSA-N 317.128 3.490 10 10 DGCE C/C=C/C[C@H](NCc1c(O)ccc(Cl)c1F)C(=O)OCC 763367327 ZOXVMXRRQJLXAM-PYEVWLCESA-N 315.772 3.172 10 10 DGCE C[C@H](N[C@H]1CCCOC1)c1ccc(N2CCOCC2)cc1Cl 765834806 HTKGCIFPXDUGMX-KBPBESRZSA-N 324.852 3.006 10 10 DGCE CC(C)N1[C@H]2CC[C@H]1CN(Cc1c(O)cccc1Cl)CC2 769482158 XSLDAKVYQRESME-KBPBESRZSA-N 308.853 3.493 10 10 DGCE Cc1ncc(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)s1 773268668 JDQXGYMOROCFKZ-LLVKDONJSA-N 318.446 3.078 10 10 DGCE CO[C@H](C)CN(C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(C)C 776237577 CFQYQBUFBWKKNL-CABCVRRESA-N 321.465 3.269 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)N(C)[C@@H]2CCOC2)c1 798959422 HZJJATWYNCZQOG-MRXNPFEDSA-N 312.413 3.263 10 10 DGCE Cn1nccc1C1=CCN(Cc2cc(Cl)cc(F)c2O)CC1 809690106 HIXDDUXWRRDNLV-UHFFFAOYSA-N 321.783 3.208 10 10 DGCE CC(C)N(Cc1cccc(Br)c1O)[C@@H]1CCOC1 812776762 ONXXSQLHWUBWIG-GFCCVEGCSA-N 314.223 3.154 10 10 DGCE CCOc1ccc(O)c(CN(C)C[C@@](C)(O)c2ccccc2)c1 822515413 ANTDZURROHPHGJ-LJQANCHMSA-N 315.413 3.130 10 10 DGCE CN(C[C@H]1COCCO1)c1ccc(OCc2ccccc2)cc1 829092784 OEBCVWGWQBTCQU-IBGZPJMESA-N 313.397 3.117 10 10 DGCE CCN(C)C[C@H]1CCN(C/C=C/c2ccc(N(C)C)cc2)C1 835027156 BOPKRLAASPNWRN-IPLHWJFFSA-N 301.478 3.039 10 10 DGCE CN(C)c1ccc(CNC(=O)Nc2ccc3c(c2)CCC3=O)cc1 836715001 XTDQJRUQMBHMGM-UHFFFAOYSA-N 323.396 3.203 10 10 DGCE COc1ccc(N2CC[C@H](NCc3sc(C)nc3C)C2)cc1 850346269 DQRJLDQLEIQXDI-AWEZNQCLSA-N 317.458 3.137 10 10 DGCE COc1ccc(O)c([C@H](C)NC[C@@H]2C[C@H]2C2CCOCC2)c1 866539083 FDOBNTZTDNWCQD-JDFRZJQESA-N 305.418 3.114 10 10 DGCE Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2O)c(C)c1 867834366 NCBWCTGBEMJKQV-ZDUSSCGKSA-N 305.399 3.049 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CC[C@@H]([C@@H]3CCCO3)C2)c1O 886830808 XOJKWCDKRHFEBB-WBMJQRKESA-N 323.820 3.249 10 10 DGCE CCc1cnc(CCNCc2cc(C)cc(OC)c2O)s1 894314556 HQERSQPQQCNKML-UHFFFAOYSA-N 306.431 3.060 10 10 DGCE CC(C)[C@@H](NC/C=C\c1ccc(N(C)C)cc1)c1cnn(C)c1 922894300 OXGZPTIJRADJQX-LIXSYLKWSA-N 312.461 3.486 10 10 DGCE C[C@H](NC[C@@H]1CC[C@H](N)C1)c1cccc(C(F)(F)F)c1O 925879443 DRSCIOCOHVUHTJ-AXFHLTTASA-N 302.340 3.189 10 10 DGCE OC[C@]1(c2ccccc2)C[C@@H](N[C@@H]2CCc3cccc(O)c32)C1 927154189 BFSDFCBDLZJYKD-HLIPFELVSA-N 309.409 3.062 10 10 DGCE O=C(NCc1c(O)cccc1F)[C@H]1CCCc2sccc21 928704926 GFLIYZXBOIJQPD-NSHDSACASA-N 305.374 3.329 10 10 DGCE CN(C)/C=C1\SC(=S)N(c2ccc(Cl)cc2F)C1=O 1088685774 AVEXCACFGYIXLC-POHAHGRESA-N 316.810 3.247 10 10 DGCE Cc1ncc(/C=C/C(=O)N2CCOc3c(F)cc(F)cc32)s1 1130638255 HVJYXKMUGHTXQO-NSCUHMNNSA-N 322.336 3.169 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)[C@H]2CCCC2(C)C)cc1 1130744529 CQQIZIVEWKBCBI-QGZVFWFLSA-N 318.461 3.416 10 10 DGCE C[C@H](Sc1ccc(F)cc1)C(=O)NCc1c(O)cccc1O 1156886283 XMORDAUCHFIXNO-JTQLQIEISA-N 321.373 3.034 10 10 DGCE Oc1cc(Cl)ccc1CNCCOC1CCSCC1 1621555378 BQNDGAKIDXQOEA-UHFFFAOYSA-N 301.839 3.047 10 10 DGCE CCCN(Cc1ccc(N(C)C)cc1)[C@H](CC)C(=O)OCC 1645268826 CSJNHRHUWFIGJI-QGZVFWFLSA-N 306.450 3.306 10 10 DGCE CCCOc1ccnc(N[C@H](C)c2cc(OC)ccc2O)n1 1655106843 GFCMAJVYBCLYBG-LLVKDONJSA-N 303.362 3.153 10 10 DGCE c1cc2c(cc1CN[C@@H]1CC[C@@H]3SCCS[C@@H]31)CCCO2 1656037624 DDYXEYGJWMEMMQ-HYVNUMGLSA-N 321.511 3.481 10 10 DGCE Cc1ccc(C)c(NC(=O)CNCc2ccc(N(C)C)cc2)c1 1857854911 FAFKEYRXEIFIJR-UHFFFAOYSA-N 311.429 3.098 10 10 DGCE COc1cc(NN=NCCCn2ccnc2)c(OC)cc1Cl 1860491656 UCALQJFQRRDDIK-UHFFFAOYSA-N 323.784 3.423 10 10 DGCE Cc1nc(C)c([C@@H](C)NCc2c(O)cccc2Br)[nH]1 1893352773 JUSLIWGONNJLAR-MRVPVSSYSA-N 324.222 3.345 10 10 DGCE Oc1c(Br)cccc1CN1[C@H]2CC[C@@H]1[C@H]1CC[C@H]2O1 1900481903 LFMICQZGAOQQCL-XJFOESAGSA-N 324.218 3.049 10 10 DGCE CN[C@H](c1ccccc1O)[C@H]1C[C@H](C)N1C(=O)OC(C)(C)C 1913601224 JAJCZJWBXGEQQZ-NJZAAPMLSA-N 306.406 3.051 10 10 DGCE COc1ccc(CN[C@H]2CC[C@@H]2OCc2ccccc2)c(O)c1 1939575788 OANIQABRTKAEPN-HKUYNNGSSA-N 313.397 3.238 10 10 DGCE CN1C(=O)[C@@H](N)c2ccc(N(Cc3ccccc3)C(C)(C)C)cc21 1946875640 CVXVNQIFIRIELD-SFHVURJKSA-N 323.440 3.468 10 10 DGCE CC(C)(C)OC(=O)N1CCCC[C@@H]1COc1ccc(N)cc1 1951320466 UJMAYIYDZAIVSR-CQSZACIVSA-N 306.406 3.437 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](CNc2ccc(N)cc2)C1 1959373552 JXJCWASAZOIJSS-IUODEOHRSA-N 305.422 3.374 10 10 DGCE Oc1c(Br)cccc1CN[C@H]1C[C@H]2C[C@H]1C[C@H]2F 1967869644 TWZXHQLPQMAQKE-DNIRFERGSA-N 314.198 3.381 10 10 DGCE CN(CCC1(O)CC1)c1ccc(CNC(=O)OC(C)(C)C)cc1 1972630245 LZROFPUTAAWMHM-UHFFFAOYSA-N 320.433 3.063 10 10 DGCE CC(C)(C)OC(=O)NCC1([C@@H](N)c2ccccc2O)CC=CC1 1977008373 GVGDFKYUZRJGKG-HNNXBMFYSA-N 318.417 3.253 10 10 DGCE C[C@@H](CCNC(=O)OC(C)(C)C)N(C)CCc1ccc(N)cc1 1977926370 PBVUJOTXMFOBSL-AWEZNQCLSA-N 321.465 3.046 10 10 DGCE CCC[C@H](NC(=O)OC(C)(C)C)[C@H](O)c1ccc(N(C)C)cc1 1977957449 FNWQIKLCNKCIOH-JKSUJKDBSA-N 322.449 3.479 10 10 DGCE CN(C(=O)OC(C)(C)C)C1(C)CCN(c2ccc(N)cc2)CC1 1977969694 DNZQRAFNKUYCHR-UHFFFAOYSA-N 319.449 3.495 10 10 DGCE CCN[C@H]1CCc2cc(N(CCO)Cc3ccccc3)ccc21 1986606007 HDDCOWBZKQUVRK-FQEVSTJZSA-N 310.441 3.282 10 10 DGCE Cc1cccc(CNC[C@@H](C)C(=O)OCc2ccccc2)c1O 1994452167 WWFSOZSFHVJDQY-OAHLLOKOSA-N 313.397 3.170 10 10 DGCE Cc1onc(CN2CCC[C@H](N=[N+]=[N-])C2)c1Br 2006818473 GZCCLPXSSKCSPK-QMMMGPOBSA-N 300.160 3.020 10 10 DGCE CS[C@H]1C[C@H](CNCc2cc(Br)ccc2O)C1 2016150228 RHLAOLVURJXKQO-OTCDBFHCSA-N 316.264 3.386 10 10 DGCE C[C@H]1CCOCCN1c1ccc([C@@H](C)O)cc1Br 2031687902 BQSMHUMWKUHOFG-WDEREUQCSA-N 314.223 3.118 10 10 DGCE C[C@@H]1CCOC[C@@H]1N(C)Cc1cc(Br)ccc1O 2035128602 YIPZMLONLJONMG-MFKMUULPSA-N 314.223 3.012 10 10 DGCE CO[C@@H]1C[C@H]2C[C@H]1C[C@@H]2Nc1c(N)cccc1Br 2040793868 CELCSYKLALKFHX-FIDNZITISA-N 311.223 3.257 10 10 DGCE CC[C@]12C[C@@H]1CN(c1cc(Br)c(CN)cc1F)C2 2048605889 QETBNZLUQSGASC-QMTHXVAHSA-N 313.214 3.283 10 10 DGCE CN1CCCc2cc(CNCCC=CBr)ccc21 2051146551 UBWPTOREJMZKAI-UHFFFAOYSA-N 309.251 3.457 10 10 DGCE CO[C@@H](CN(C)Cc1ccc(Br)cc1O)C(C)C 2068249860 QVKWGJWAFGXMJL-AWEZNQCLSA-N 316.239 3.258 10 10 DGCE COc1ccc(O)c([C@H](C)n2nccc2C(=O)OC(C)(C)C)c1 2069969219 YUBYWUNVJPBBKE-NSHDSACASA-N 318.373 3.162 10 10 DGCE Nc1ccc(C[C@@H](O)c2ccc(Br)cc2F)cc1 2072148229 XKWGTKDKKKUQMQ-CQSZACIVSA-N 310.166 3.447 10 10 DGCE CN(C)c1ccc2c(c1)CCN2CC1(Br)CCC1 2075177287 SSWPYNUZHWXZNJ-UHFFFAOYSA-N 309.251 3.433 10 10 DGCE CCN[C@@H](C)c1ccc(N2CC(CF)(OC)C2)cc1Cl 2168886859 CPDJGDHDOALKPQ-NSHDSACASA-N 300.805 3.185 10 10 DGCE C[C@@H](NC(C(F)(F)F)C(F)(F)F)c1cc(O)ccc1O 2183913083 SIVMSPXRUIQJNA-RXMQYKEDSA-N 303.202 3.242 10 10 DGCE CN(Cc1cccc(Cl)c1O)[C@H]1CO[C@@H](C(F)(F)F)C1 2185547080 VPRNMWWWSHWGCQ-MWLCHTKSSA-N 309.715 3.197 10 10 DGCE C[C@@H](O)c1ccc(N2CC(O)(c3ccsc3)C2)cc1Cl 2193352481 ZRPHNHSRIRIDBJ-SNVBAGLBSA-N 309.818 3.163 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@@H]1NC(=O)Cc1ccccc1Br 2225792605 OMHJBCQJYMXVKT-RYUDHWBXSA-N 323.194 3.339 10 10 DGCE COC[C@@]1(C)C[C@@H]1CNCc1cc(Cl)cc(Cl)c1O 2269291152 LXLPCXQXDOEZME-QMTHXVAHSA-N 304.217 3.461 10 10 DGCE Cc1cc(O)c([C@H](C)N(C)[C@@H]2CCOC[C@@H]2F)cc1Cl 2286459601 YHWYYUXRVMJPNX-LEWSCRJBSA-N 301.789 3.474 10 10 DGCE NCc1ccc(N2CC[C@@H]3CC[C@H]2C3)c(F)c1Br 2309412017 MOAUQEINVSVWEN-ONGXEEELSA-N 313.214 3.426 10 10 DGCE Cc1ncsc1C=CC(=O)N1CCOc2cccc(F)c21 2310100373 YLDBWHPSSNENHS-UHFFFAOYSA-N 304.346 3.029 10 10 DGCE Cc1ccc(CN[C@@H](C)c2cc[nH]n2)c(O)c1Br 2327629356 BNYMGXDJPWBZBG-VIFPVBQESA-N 310.195 3.037 10 10 DGCE CC[C@@H](CCCO)NCc1ccc(C)c(Br)c1O 2327791025 YIELWFYVOOSEEO-LBPRGKRZSA-N 316.239 3.104 10 10 DGCE COc1ncc(Br)c(C)c1COc1ccc(N)cc1 2342310730 IZIOFONXJYXVMO-UHFFFAOYSA-N 323.190 3.322 10 10 DGCE Cc1ccc(CNC(=O)[C@@]23CCC[C@@H]2C3)c(O)c1Br 2352638216 VNNQSIFJVZFWPL-IAQYHMDHSA-N 324.218 3.270 10 10 DGCE O=C1/C(=C\[C@@H]2CC=CCC2)SC(=S)N1C[C@@H]1CCCO1 5376863 RMUGCXRQFPCRGN-LZEMIWRJSA-N 309.456 3.266 10 10 DGCE C[C@H](c1ccccc1O)N(C)C(=O)c1ccc(Cl)c(N)c1 37826526 OWDGVHZUTCVQGQ-SNVBAGLBSA-N 304.777 3.461 10 10 DGCE Nc1cc(NC(=O)CCCSc2nccs2)ccc1F 40676676 YEODECIMTOGHEK-UHFFFAOYSA-N 311.407 3.375 10 10 DGCE CCN(CC(C)(C)O)c1c(F)cc(CNC(C)C)cc1F 92971251 GBOSPWJGWGFRIC-UHFFFAOYSA-N 300.393 3.060 10 10 DGCE Cc1nn(C)c(C)c1[C@H]1CCCN1Cc1ccc(N(C)C)cc1 122724737 UXRJQUVTPQNCQC-GOSISDBHSA-N 312.461 3.440 10 10 DGCE Cc1cc(C(=O)NCCc2ccc(N)cc2)nc2ccccc12 152493633 NJNSQXIXYRTRPJ-UHFFFAOYSA-N 305.381 3.098 10 10 DGCE CCCOc1ccc(CN(CCO)Cc2ccccc2)c(O)c1 158330637 ACUDAZJZSRQWRV-UHFFFAOYSA-N 315.413 3.176 10 10 DGCE CCc1cccc(NC(=O)[C@@H](C)N(C)Cc2ccccc2O)c1 171936965 ZZHLNZQWUGGOPO-CQSZACIVSA-N 312.413 3.414 10 10 DGCE Cc1csc([C@H]2CN(Cc3cccc(C)c3O)CCO2)n1 179974843 HTSGMZDAKMTGBC-CQSZACIVSA-N 304.415 3.039 10 10 DGCE C[C@@H]1C[C@@H](C(=O)O)CCN1Cc1cc(Cl)cc(Cl)c1O 235345879 MDYZZVNWTBGBTG-BDAKNGLRSA-N 318.200 3.384 10 10 DGCE CN(C)c1cccc(NC(=S)Nc2ccc3c(c2)OCO3)c1 243953438 RYVGEVBHGVYOIV-UHFFFAOYSA-N 315.398 3.290 10 10 DGCE CCCCCOc1ccc(N2CC[C@@H](CNC[C@H](C)O)C2)cc1 249859020 VDQOLWAPVGSTGP-IRXDYDNUSA-N 320.477 3.052 10 10 DGCE COC(=O)[C@H]1CC12CCN(Cc1cc(Cl)cc(C)c1O)CC2 271813520 MIYNCIZUXHOMCI-CQSZACIVSA-N 323.820 3.129 10 10 DGCE CCc1nnc(CNCc2ccc(N(CC)CC)c(F)c2)s1 289969921 YXGAJORTRDCGCL-UHFFFAOYSA-N 322.453 3.376 10 10 DGCE CCN(Cc1cc2c(cc1O)OCO2)[C@H](C)c1cccnc1 290447354 MEEKMEGUVVHEQZ-GFCCVEGCSA-N 300.358 3.099 10 10 DGCE CSCC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 298366258 WWVFBSDPQDIGBZ-UHFFFAOYSA-N 318.442 3.237 10 10 DGCE C[C@@H](CNCc1ccc(N(C)C)cc1)N(C)C(=O)OC(C)(C)C 304302443 PERVLVUEINAPJN-AWEZNQCLSA-N 321.465 3.098 10 10 DGCE O=Cc1ccc2scc(O)c2c1I 307334313 ASHMEUSAHCRFSP-UHFFFAOYSA-N 304.108 3.024 10 10 DGCE Cc1ccc([C@@H](C)N[C@H](C)c2nnc3n2CCCCC3)c(O)c1 319753023 JJHPUHQVGRUBIM-ZIAGYGMSSA-N 314.433 3.430 10 10 DGCE Cc1ccc(N=Nc2c(N)nn3c(=O)c4c([nH]c23)CCCC4)cc1 334159075 JMIHGUQDQQSDID-UHFFFAOYSA-N 322.372 3.207 10 10 DGCE CCS[C@H]1CCCN(c2c(F)cc(CNC)cc2F)C1 382985193 VOJJMXKYPZOHJO-LBPRGKRZSA-N 300.418 3.406 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCN(CCCF)CC1 402861277 RJPWPDDZBGLJOB-UHFFFAOYSA-N 321.223 3.176 10 10 DGCE C[C@H]1CCN(c2ccc([C@H](C)N)cc2Br)CCO1 720431662 LIBWWVGKALRMJA-QWRGUYRKSA-N 313.239 3.084 10 10 DGCE C[C@@H](O)c1ccc(N2CCS[C@@H](C(F)(F)F)C2)c(F)c1 721381462 DKYLDTALLJZTGA-PRHODGIISA-N 309.328 3.363 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H](C)CC[C@H]1C 745828140 OMGHPAQNOJTUFC-UKRRQHHQSA-N 303.450 3.391 10 10 DGCE CN(C)c1ccc(CN[C@@H]2CCN(C)[C@H]2c2ccccc2)cc1 758602589 MSZIOPLQRVVVFR-UXHICEINSA-N 309.457 3.288 10 10 DGCE CC[C@@H]1C(=O)N([C@@H](C)c2ccc(N(C)C)cc2)C(=O)N1C1CC1 761576165 ASKWYIIUQCXKMA-BLLLJJGKSA-N 315.417 3.019 10 10 DGCE C[C@H](NC[C@@H]1C[C@H]1C)c1ccc(N2CCOCC2)cc1Cl 765338077 USHYQCCZQLIYQO-RDBSUJKOSA-N 308.853 3.483 10 10 DGCE COCCOc1cccc(CN2CCc3cc(OC)ccc32)c1 772599987 QQQMZNBFNMKGSB-UHFFFAOYSA-N 313.397 3.283 10 10 DGCE CN(C)c1ccc(CNCC[C@@H]2CCOC2)c(C(F)(F)F)c1 793074962 VGCXFUBAIZGPRT-GFCCVEGCSA-N 316.367 3.288 10 10 DGCE C[C@H]1CC[C@H]1NC(=O)N(Cc1ccco1)Cc1ccccc1O 807557329 XYCSQLYAFFDRBS-XJKSGUPXSA-N 314.385 3.496 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)/C=C\[C@@H]2CCCO2)cc1 819040305 ZJCWDOOCYJIUEI-SQVRQVGWSA-N 316.445 3.226 10 10 DGCE CCN(CC)c1ccc([C@H]2NCCc3nc4ccccn4c32)cc1 821242168 PZQOZPSDKABJQB-LJQANCHMSA-N 320.440 3.416 10 10 DGCE COc1ccc(N2CCC(NC[C@@H]3C[C@H]3C3CC3)CC2)cc1 825250360 ZLELMKDMKJVIHJ-KXBFYZLASA-N 300.446 3.300 10 10 DGCE CC[C@@H](CNC/C=C/c1ccc(N(C)C)cc1)N1CCCC1 835035929 LQGOQYRKMCJNLK-DVBCCOPCSA-N 301.478 3.230 10 10 DGCE Cc1cc(N(C)C)ccc1[C@H]1NC2(CC2)C(=O)N1c1ccccc1 840828884 SHPSJXVKUCOOSO-SFHVURJKSA-N 321.424 3.229 10 10 DGCE CN(C)c1ccc(/C=C\CN2C[C@@H](N)[C@H](c3ccccc3)C2)cc1 843113789 DBOMNRUXMRAKCI-HQDVTNBMSA-N 321.468 3.193 10 10 DGCE COc1ccc(N2CC[C@@H](NCc3sccc3C)C2)cc1 850345582 FMYNRYJMRRASFE-CQSZACIVSA-N 302.443 3.434 10 10 DGCE C[C@H](NCc1cc(Cl)cc([N+](=O)[O-])c1O)c1cscn1 850359879 VCLFDVIZKMIFKA-ZETCQYMHSA-N 313.766 3.261 10 10 DGCE COc1ccc(N2CC[C@H](N[C@H](C)CC3(OC)CCC3)C2)cc1 850489910 XXIAQRVYUOXIKQ-CVEARBPZSA-N 318.461 3.211 10 10 DGCE COC[C@@H](N[C@@H](C)c1ccc(C)c(C)c1O)C1CCOCC1 850494672 VYEUIFUKOYJGRN-WMLDXEAASA-N 307.434 3.101 10 10 DGCE COc1cc(N(C)C[C@]2(C)CCCS2)cc(OC)c1OC 862306285 IIFVALNBRUPXOO-INIZCTEOSA-N 311.447 3.434 10 10 DGCE C[C@H](N[C@H]1CC[C@@H](C)NC1)c1ccc(Cl)c(Cl)c1O 863544773 AQHCDSIKWIQGHJ-UTLUCORTSA-N 303.233 3.490 10 10 DGCE COc1cc(CNc2ccn(CCF)n2)c(O)c(C(C)(C)C)c1 865835886 ILAKIXFARRVNNC-UHFFFAOYSA-N 321.396 3.476 10 10 DGCE FCCn1ccc(NCc2ccc(N3CCCCC3)cc2)n1 865838148 QGHHLCHNCISLLR-UHFFFAOYSA-N 302.397 3.455 10 10 DGCE CN(C)c1ccc(C2(C(=O)N3Cc4cccc(O)c4C3)CC2)cc1 871205015 OKORHCLVRJWTKL-UHFFFAOYSA-N 322.408 3.032 10 10 DGCE Oc1c(F)cc(Cl)cc1CN1CCCC[C@]2(CCNC2)C1 903959255 DAFSPXFNXABOTC-MRXNPFEDSA-N 312.816 3.150 10 10 DGCE C[C@@H](NC(=O)NC[C@@]1(C)CCCCO1)c1ccc(N(C)C)cc1 922056250 WYUAJCOPZPMRLP-RDTXWAMCSA-N 319.449 3.072 10 10 DGCE Oc1cccc(Cl)c1CNC[C@]1(c2ccccc2)C[C@H](O)C1 922530698 MRDBFNYNEHBTSN-PPUGGXLSSA-N 317.816 3.228 10 10 DGCE Cc1ccc2c(c1)CCN2C(=O)c1ccc(N=NC(N)=O)cc1 1140010149 BHPXHVIZTLISRC-UHFFFAOYSA-N 308.341 3.360 10 10 DGCE CO[C@H]1CCC[C@H](NCc2ccc(Br)cc2O)C1 1172925020 BYTNIYNCGDBBGM-STQMWFEESA-N 314.223 3.202 10 10 DGCE O=C(c1cc(O)cs1)N1CCc2c(Cl)cc(F)cc2C1 1298683909 CLSCJLWYRCIINP-UHFFFAOYSA-N 311.765 3.445 10 10 DGCE CC(C)C[C@H](C)n1nccc1NC(=O)Cc1ccc(O)c(O)c1 1298809020 HUPMHANSSZQZLP-LBPRGKRZSA-N 317.389 3.083 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H](C)CC(F)F 1328134228 JGHHDMFGNZZESA-NSHDSACASA-N 313.392 3.152 10 10 DGCE CCO[C@H]1C[C@@H](NC(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 1436631739 ULZXPNGFQXNMKX-MAEOIBBWSA-N 312.413 3.391 10 10 DGCE CC[C@](C)(OC)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1525106906 ODVSJQPBJJPXBZ-SFHVURJKSA-N 304.434 3.060 10 10 DGCE C/C=C\COc1cccc(CC(=O)NCc2ccccc2O)c1 1566374197 YGHLUBIRCVYHPR-IHWYPQMZSA-N 311.381 3.206 10 10 DGCE CC(C)c1nnc(N(C)Cc2ccccc2O)n1C[C@H]1C[C@@H]1C 1598420785 YEZJIOBYYGNMGD-DZGCQCFKSA-N 314.433 3.400 10 10 DGCE Cc1cc(NC(=O)c2ccc(C)c(O)c2O)ccc1-n1ccnc1 1614883980 LUHJTYUFDZIXCC-UHFFFAOYSA-N 323.352 3.153 10 10 DGCE CC[C@H](C)c1ncc(NC(=O)/C=C\c2ccc(O)c(O)c2)cn1 1635030334 SOJWHXVSXCLDTI-XOIDGJRKSA-N 313.357 3.053 10 10 DGCE Cc1ccc(-c2cc(C(=O)N3Cc4cccc(O)c4C3)n[nH]2)cc1 1636231075 PMGXUJCDXXJWBM-UHFFFAOYSA-N 319.364 3.247 10 10 DGCE CCOc1cccc(/C=C2/SC(=S)N(C3CC3)C2=O)c1O 1858591492 PTVBIYYDCKMFRC-XYOKQWHBSA-N 321.423 3.155 10 10 DGCE CCc1nc2ccc(C(=O)Nc3cccc(N(C)C)c3)cc2[nH]1 1859437986 UHTIMVWWHAWXOO-UHFFFAOYSA-N 308.385 3.444 10 10 DGCE C[C@@H](c1ccc(F)cc1O)N(C[C@@H](C)O)C(=O)OC(C)(C)C 1887511741 AAPRZDMNJODRPT-MNOVXSKESA-N 313.369 3.210 10 10 DGCE CO[C@H]1CCN(Cc2ccc(Br)cc2O)C1(C)C 1914335257 PGRXIROXYCDYAV-ZDUSSCGKSA-N 314.223 3.154 10 10 DGCE CN[C@@H](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1O 1936974765 LSIDWEUURCRXPA-ZFWWWQNUSA-N 320.433 3.300 10 10 DGCE CC(C)(C)OC(=O)Nc1cccc(O)c1[C@H]1NCCC1(F)F 1953049491 QKXVXGURVTZEOH-GFCCVEGCSA-N 314.332 3.409 10 10 DGCE Oc1ccc(Cl)cc1CN(Cc1ccccc1)C1CNC1 1955481285 HACJCWHEZCQBQM-UHFFFAOYSA-N 302.805 3.020 10 10 DGCE CC(C)(C)OC(=O)N[C@@]12CC[C@@H]1CN(CCCCN=[N+]=[N-])C2 1962288007 POLAARWIWIBEOH-IUODEOHRSA-N 309.414 3.066 10 10 DGCE CC(C)(C)OC(=O)N1CC([C@H]2CCCN(CCCN=[N+]=[N-])C2)C1 1982248268 RTDAIVCFRBFNPG-ZDUSSCGKSA-N 323.441 3.266 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@](N)(c2ccccc2O)[C@@H]1C(C)(C)C 1991366974 GOGPSZSSXLTYCJ-KBXCAEBGSA-N 320.433 3.212 10 10 DGCE CN(Cc1ccccc1)C1CN(c2ccc3c(c2)CCC[C@@H]3O)C1 2012681770 VLMQRWBOFPLCCC-NRFANRHFSA-N 322.452 3.377 10 10 DGCE Cc1cc(N2C[C@@H]3CCN(Cc4ccccc4)[C@H]3C2)ccc1CO 2015064914 DRARPSJGSICYJX-RXVVDRJESA-N 322.452 3.198 10 10 DGCE COc1ccc(C2=NC(=Cc3ccc(N(C)C)cc3)C(=O)O2)cc1 2039108501 BXPTZZGKQPJVKR-UHFFFAOYSA-N 322.364 3.106 10 10 DGCE C[C@H]1[C@@H](C)[C@@H]1CN(C)c1ccc(CN)c(Br)c1F 2043305064 OPUDTOAHDYSXPC-JZYVYDRUSA-N 315.230 3.385 10 10 DGCE CC[C@@]12C[C@H]1CN(c1ccc(CNC)c(Br)c1)C2 2048615185 XGKCDMHLNXUYOR-WFASDCNBSA-N 309.251 3.405 10 10 DGCE CCc1ncncc1NCc1cccc(Br)c1O 2058444834 XCDBBISLZMLHLJ-UHFFFAOYSA-N 308.179 3.119 10 10 DGCE CC[C@H](CN(C)c1ccc(CNC)c(Br)c1)OC 2068250142 SLEFYCBZIOBKQN-CYBMUJFWSA-N 315.255 3.030 10 10 DGCE CN(C)Cc1cc(C2CC2)nn1Cc1c(O)cccc1Cl 2070158751 QTDYIBOAAUJJDP-UHFFFAOYSA-N 305.809 3.229 10 10 DGCE C[C@]12CSC[C@@H]1CN(c1cc(Cl)c(CN)cc1F)C2 2120878934 FPXFDJYMJXYGKF-HZMBPMFUSA-N 300.830 3.127 10 10 DGCE Cc1cc2c(n1-c1ncc(F)cc1Br)CCC[C@@H]2N 2137801401 HEZTVEYACBGCCU-LBPRGKRZSA-N 324.197 3.418 10 10 DGCE CO[C@H]1CC(F)(F)CC[C@@H]1NCc1c(O)cccc1Cl 2162093940 PHONYDHUSJPODQ-AAEUAGOBSA-N 305.752 3.338 10 10 DGCE CCN1C(=O)C(=CC=Cc2cccc([N+](=O)[O-])c2)SC1=S 2297303279 UWQRIYAMLGNOLK-UHFFFAOYSA-N 320.395 3.372 10 10 DGCE CCN(C(=O)C=Cc1cnn(-c2ccccc2)c1)c1cccnc1 2297466834 IIEKVDOZQZIZIH-UHFFFAOYSA-N 318.380 3.334 10 10 DGCE Cc1ccc(CNCC2(C)CSC2)c(O)c1Br 2307566691 IIMBDBKJANDPAR-UHFFFAOYSA-N 316.264 3.306 10 10 DGCE CCN1CCN(N=Nc2cccc(OC(F)(F)F)c2)CC1 2330242687 IEHTVKIYDFXADE-UHFFFAOYSA-N 302.300 3.221 10 10 DGCE CCCC1=NN(CCC)C(=O)C1=Cc1ccc(O)c([N+](=O)[O-])c1 2332144650 BFFDRRBKMGWZHE-UHFFFAOYSA-N 317.345 3.092 10 10 DGCE Cc1ccc(CN2CC3(CCC3)CC2=O)c(O)c1Br 2352659152 XFWRFCWEQBHNNQ-UHFFFAOYSA-N 324.218 3.366 10 10 DGCE Cc1ccc(CNC(=O)[C@]2(C)C=CCC2)c(O)c1Br 2352945928 DDUHMPSGOOYEFJ-OAHLLOKOSA-N 324.218 3.436 10 10 DGCE CCCNC1CCN(c2cc(Cl)c(OC)cc2OC)CC1 37635692 VMUZVHAEVSVRLW-UHFFFAOYSA-N 312.841 3.326 10 10 DGCE Cc1cccn2c(/N=N\c3ccccc3O)c(CC(=O)O)nc12 71582055 YRJLRTWCPHONNU-HNENSFHCSA-N 310.313 3.391 10 10 DGCE Cc1noc(CCN[C@H](C)c2ccc(N3CCCCC3)cc2)n1 89518206 KHYRAMYDKBKKGL-CQSZACIVSA-N 314.433 3.262 10 10 DGCE CC[C@H](CSC)N(C)c1ccc(CNCCOC)cc1F 124232022 SLXOMHQAGZKCJQ-CQSZACIVSA-N 314.470 3.140 10 10 DGCE COC(=O)[C@H]1CCCN(Cc2cc(C(C)C)c(C)cc2O)C1 151648681 QJLOOLYWSBCSHZ-AWEZNQCLSA-N 305.418 3.209 10 10 DGCE OCCN(c1ccc(CNC2CC2)cc1Cl)C1CCCC1 164015924 LXDQOXMUGFEDCL-UHFFFAOYSA-N 308.853 3.333 10 10 DGCE Cc1cc(C(=O)NCC[C@@H](C)N)c(C)n1-c1cccc(Cl)c1 178689315 OOBWCBXFEQQWBB-LLVKDONJSA-N 319.836 3.215 10 10 DGCE Cc1noc(C2CCN(Cc3cc(Cl)cc(C)c3O)CC2)n1 179756297 NEIJUYCORBODEZ-UHFFFAOYSA-N 321.808 3.425 10 10 DGCE CCN(Cc1cc(Cl)cc(OC)c1O)C1CCC(N)CC1 229104359 HQMZCYFUSBGJIN-UHFFFAOYSA-N 312.841 3.146 10 10 DGCE C[C@@H](N[C@@H]1C[C@H]2CC[C@H]1O2)c1ccc(Br)cc1O 248491102 IOFRPKJOJZYGDP-ZJIMWXPPSA-N 312.207 3.125 10 10 DGCE Cn1cc(/C=C\C(=O)N2CCc3cnccc32)c2ccccc21 255471231 CINVIZCHDBSPQX-SREVYHEPSA-N 303.365 3.176 10 10 DGCE COc1ccc(O)c([C@H](C)NC[C@H](O)c2cc(F)ccc2F)c1 305780126 SPDOINAQXPFQRX-BTDLBPIBSA-N 323.339 3.063 10 10 DGCE C[C@H](N[C@H]1CCc2nc[nH]c2C1)c1cc2c(cc1O)CCCC2 377802501 KIONZWDLRYQRLL-WFASDCNBSA-N 311.429 3.202 10 10 DGCE Cc1cc([C@H]2CN(Cc3ccc(N)cc3)C(=O)O2)ccc1F 585893341 FJJDCZHCDNDJEU-MRXNPFEDSA-N 300.333 3.410 10 10 DGCE CO[C@H]1CC[C@H]1N(C)c1ccc([C@H](C)O)c(Br)c1 724151595 SPZLWQAZJPZJBZ-FZZIBODNSA-N 314.223 3.116 10 10 DGCE COc1cc(N(C)C[C@H]2CC2(Cl)Cl)cc(OC)c1OC 741805322 GESKBMDRJPTAMF-SECBINFHSA-N 320.216 3.342 10 10 DGCE CCN(CC)c1ccc(CN2CCC[C@H](C(=O)OC)C2)cc1F 768231278 SJJYYQBOHZSPSN-HNNXBMFYSA-N 322.424 3.057 10 10 DGCE CCOc1cccc(CN2CCC[C@]3(CCCOC3)C2)c1O 769485200 LUFRJDUVELMBIS-SFHVURJKSA-N 305.418 3.184 10 10 DGCE O=[N+]([O-])c1cnccc1N1CC=C(c2ccc(Cl)nc2)CC1 773255765 RPDVTXVZXINGQN-UHFFFAOYSA-N 316.748 3.332 10 10 DGCE CCN(C)c1ccc(CN2CC[S@@](=O)C(CC)(CC)C2)cc1 773858506 MMIPODFJAHEIBC-JOCHJYFZSA-N 322.518 3.266 10 10 DGCE Oc1cc2c(cc1CN1CC[C@@]3(CCCOC3)C1)CCCC2 789543666 WIUVSHGPIKDWMN-IBGZPJMESA-N 301.430 3.274 10 10 DGCE O=C(NCCCSc1nccs1)N1CCC(F)(F)CC1 793103591 OCBYGXJBLAOOSZ-UHFFFAOYSA-N 321.418 3.066 10 10 DGCE C[C@H]1CC[C@@H](C(=O)NCc2cc(Br)ccc2O)C1 804738330 MCWVHKQOTUQCEX-VHSXEESVSA-N 312.207 3.207 10 10 DGCE CCOc1ccc(CN2C[C@]34CCCC[C@]3(COC4)C2)c(O)c1 827851251 RVNOSCQQYCTCGJ-KDURUIRLSA-N 317.429 3.184 10 10 DGCE CN(C)c1ccc(/C=C\CNCC2(CO)CCCCC2)cc1 835043332 OZAVSPWSSMQQTI-SREVYHEPSA-N 302.462 3.298 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@@H]2c3ccccc3C[C@H]2O)cc1 835044389 ZKEATWMGWUGNCX-BGEOSOQGSA-N 308.425 3.014 10 10 DGCE CC[C@H]1CC[C@H](NC(=O)NCc2cc(OC)ccc2O)CC1 838474107 FRSJOLQVDNNPSU-MQMHXKEQSA-N 306.406 3.169 10 10 DGCE c1cc(N2CCCCC2)ccc1CN[C@@H]1CCNC12CCCC2 843129122 RMSRXANBNZKGCW-LJQANCHMSA-N 313.489 3.441 10 10 DGCE CN(C)c1ccc(CNC(=O)N2CCC[C@]3(C2)CC3(F)F)cc1 844780860 LAJDXFDEUJLEBF-MRXNPFEDSA-N 323.387 3.083 10 10 DGCE CNCc1ccccc1CNCc1cc(Cl)cc(OC)c1O 844904414 LGNNOGKJVHBIIN-UHFFFAOYSA-N 320.820 3.063 10 10 DGCE CC(C)(CNCc1cc([N+](=O)[O-])ccc1O)CC(F)(F)F 853095882 CTNPYPRXUTXJQJ-UHFFFAOYSA-N 306.284 3.369 10 10 DGCE C[C@@H]1CC[C@@H](N[C@H](C)c2cc(Cl)c(Cl)cc2O)CN1 863548553 ZVTBRCOWNHWGRE-OPRDCNLKSA-N 303.233 3.490 10 10 DGCE CCSc1ccc(C(=O)N2Cc3cccc(O)c3C2)cn1 871202718 MHZBQNDVSCDDQM-UHFFFAOYSA-N 300.383 3.055 10 10 DGCE CCN(C)c1ccc([C@H](C)NCCC[C@@H]2CCOC2=O)cc1 872117355 OUDXMRKTYUWDKI-GOEBONIOSA-N 304.434 3.137 10 10 DGCE CCC1(N)CCN(Cc2ccc(N3CCCCC3)cc2)CC1 903946832 CKAFSNQJJGIAHL-UHFFFAOYSA-N 301.478 3.380 10 10 DGCE CN(C)c1ccc(/C=C\CNC[C@H]2CC[C@H](C(=O)O)CC2)cc1 903989098 QLSWHLIONRJESA-VHVAZGQRSA-N 316.445 3.246 10 10 DGCE CC[C@H](C)C(=O)NC1CC(CNCc2ccc(OC)c(C)c2)C1 1275204028 CWPLRKREZMEROE-IGEOTXOUSA-N 318.461 3.034 10 10 DGCE Cc1ccc(O)c(CNC(=O)NCc2cccc3[nH]ccc23)c1 1479169060 ZXABSTDINKNAQL-UHFFFAOYSA-N 309.369 3.181 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H](C)O[C@H]2C)cc1 1535054367 VLBPSPZRPRFIRD-RVKKMQEKSA-N 312.413 3.390 10 10 DGCE COCCC(C)(C)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1540486912 FQKBVMZBGFITBB-UHFFFAOYSA-N 318.461 3.308 10 10 DGCE C[C@@H](CCCc1ccccc1)C(=O)NCc1c(O)cccc1O 1558533803 KKZMPRXFZRCDJT-AWEZNQCLSA-N 313.397 3.373 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)c2cc(Cl)ccc2N)c1 1566374382 GWKMZGBLVAJQJR-SECBINFHSA-N 320.776 3.127 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)[C@H](O)C(C)(C)CC)cc1 1624541453 QCMIDSBJSNHAGB-KRWDZBQOSA-N 320.477 3.288 10 10 DGCE C/C(=C/c1ccccc1Cl)C(=O)NCc1ccc(O)cc1O 1630301959 OLMDTLWSKXJGSM-FLIBITNWSA-N 317.772 3.471 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1c[nH]c2nccc-2c1 1635662867 FUPVCABTWOQXHQ-UHFFFAOYSA-N 309.369 3.273 10 10 DGCE Cc1ccc(F)c2oc(C(=O)NCc3ccc(O)cc3O)cc12 1638356483 JCZJSIJIQGAZPP-UHFFFAOYSA-N 315.300 3.222 10 10 DGCE Cc1ccccc1CCC(=O)NCc1ccc2cccnc2c1O 1643283530 ZISZUTRVJZAREN-UHFFFAOYSA-N 320.392 3.498 10 10 DGCE Cc1ccc(O)c(CNCCC(=O)Nc2ccc(F)c(F)c2)c1 1857853728 BDASSZBKFJLIOX-UHFFFAOYSA-N 320.339 3.097 10 10 DGCE COc1ccc(N2N=C(C)/C(=C\c3cccc(O)c3)C2=O)cc1 1865649917 LQARZWYFKCFMOT-GZTJUZNOSA-N 308.337 3.207 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@]2([C@H](N)c3ccccc3O)C[C@@H]2C1 1897240969 SMLKTYWMAYLHGL-DWQUBVKVSA-N 318.417 3.039 10 10 DGCE Cn1c(C(=O)N2CCC(N=[N+]=[N-])CC2)cc(Cl)c1Cl 1912144892 YHVMNGSXXDRXJO-UHFFFAOYSA-N 302.165 3.247 10 10 DGCE [N-]=[N+]=N[C@H]1CCN(C(=O)CSCc2cccc(Cl)c2)C1 1912179333 SVBVLPRKLHVYJW-LBPRGKRZSA-N 310.810 3.484 10 10 DGCE CC[C@@](C)(CNC(=O)OC(C)(C)C)[C@H](N)c1ccccc1O 1928481440 WKLPVAWGRAQIPD-PBHICJAKSA-N 308.422 3.333 10 10 DGCE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1CCc1ccc(N)cc1 1946783234 NQSWYDWJJPUAKH-ZWKOTPCHSA-N 323.484 3.406 10 10 DGCE CN(C(=O)OC(C)(C)C)C1(CCOc2ccc(N)cc2)CC1 1952666093 ZAKICEFUEVBAEC-UHFFFAOYSA-N 306.406 3.437 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1CN2CCCCN=[N+]=[N-] 1962286549 BHUYONRDGBSUMW-OLZOCXBDSA-N 309.414 3.161 10 10 DGCE CN(CCN=[N+]=[N-])[C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 1962299769 OPUVEIKWWUMBLQ-STQMWFEESA-N 311.430 3.312 10 10 DGCE C[C@@H]1CCN(CCCN=[N+]=[N-])[C@@H](CNC(=O)OC(C)(C)C)C1 1962306038 XCSASSXAEYUYKJ-CHWSQXEVSA-N 311.430 3.312 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1C[C@H]2Nc1ccc(N)cc1 1978675698 FTEZQHLMRFVFFB-KOZAUXTDSA-N 317.433 3.373 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CN(CCCN=[N+]=[N-])CC2(CCC2)C1 1982250214 OWTXPBDASXIURR-CYBMUJFWSA-N 323.441 3.456 10 10 DGCE C[C@H]1CCO[C@H](C)CN1Cc1ccc(Br)cc1O 2031608226 RYRMMOIOEJDNAK-WDEREUQCSA-N 314.223 3.154 10 10 DGCE CO[C@H]1CCCN(Cc2cccc(Br)c2O)[C@@H]1C 2037813378 UEJMBJCHIMRFGQ-MFKMUULPSA-N 314.223 3.154 10 10 DGCE Oc1c(F)cc(Br)cc1CN[C@@]12C=C[C@@H](CC1)C2 2049973770 WUTSWADEMIGHJL-XPTSAGLGSA-N 312.182 3.492 10 10 DGCE CO[C@@H](C)CCN(C)c1ccc([C@H](C)N)c(Br)c1 2059359945 QWLJTRCTKUTXBZ-QWRGUYRKSA-N 315.255 3.330 10 10 DGCE C[C@H](c1ccccc1O)N(C)Cc1cc(Br)no1 2072452360 GHLMLTSDHZRNCK-SECBINFHSA-N 311.179 3.336 10 10 DGCE C[C@H](O)c1ccc(N(C)Cc2ccno2)cc1Br 2082490708 ZSKAZVVBQVRWTL-VIFPVBQESA-N 311.179 3.127 10 10 DGCE CN1CCCc2cc([C@H](N)c3cc(Br)co3)ccc21 2112423710 UQFWZGNQSGETDK-HNNXBMFYSA-N 321.218 3.473 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)c1ccnc(Cl)c1Cl 2120741871 FIBPYUVAXQTPKC-SSDOTTSWSA-N 300.149 3.303 10 10 DGCE NCc1ccc(N2CCCC[C@H]2C2OCCO2)c2ccccc12 2145802639 HUXKULMCAAOHDI-SFHVURJKSA-N 312.413 3.030 10 10 DGCE CC(=O)c1cc(Cl)cc(CN(C)Cc2cnsc2)c1O 2150276521 ZSXPTLYCMQRFLZ-UHFFFAOYSA-N 310.806 3.337 10 10 DGCE O=C(Nc1nc(C2(Cl)CC2)cs1)c1ccc(O)c(O)c1 2206695024 AVOQMHDXUZKWFD-UHFFFAOYSA-N 310.762 3.035 10 10 DGCE CSc1ncc(CNCc2nccc(Cl)c2F)s1 2208817956 MEWFHLGKOHCTOM-UHFFFAOYSA-N 303.815 3.342 10 10 DGCE COc1ccc(N2CC[C@H](N)[C@H](C)[C@H]2C)c(Br)c1 2221628260 VABVLXZARBANCU-BREBYQMCSA-N 313.239 3.020 10 10 DGCE CC1(C)[C@H]2C[C@H]1CN(c1ccc(CN)cc1Br)C2 2221709282 NJFVASAJRJAZCK-RYUDHWBXSA-N 309.251 3.390 10 10 DGCE COc1ccc(N2CCC[C@](O)(C(F)(F)F)C2)cc1Cl 2235230717 LGJLQHHMZSVIPL-GFCCVEGCSA-N 309.715 3.242 10 10 DGCE CSc1ncc(CN=c2[nH]c(C)nc3ccsc23)s1 2269196400 FFOYPULDBRSAHL-UHFFFAOYSA-N 308.457 3.212 10 10 DGCE CSc1ncc(Cn2c(S)nc3cnc(C)cc32)s1 2269277123 IROCQTFEXFNHON-UHFFFAOYSA-N 308.457 3.255 10 10 DGCE NCc1ccc(N2C[C@@H]3[C@@H](C(F)(F)F)C[C@H]3C2)cc1Cl 2281181789 KKTZYDMIUBWBJX-DLOVCJGASA-N 304.743 3.433 10 10 DGCE COc1cc(Cl)sc1[C@H](N)c1ccc2c(c1)CCN2C 2295742897 GYFYCVGDDTZKOV-CQSZACIVSA-N 308.834 3.451 10 10 DGCE CC1=NN(c2ccccc2)C(=O)C1=CNc1ccccc1[N+](=O)[O-] 2296800501 BAOHVZBIUZSNOE-UHFFFAOYSA-N 322.324 3.313 10 10 DGCE Cn1cccc1C=C1SC(=S)N(Nc2ccccc2)C1=O 2296883502 WRKONSSYQLLQHH-UHFFFAOYSA-N 315.423 3.253 10 10 DGCE OCc1ccc(N2CC[C@@](F)(C(F)F)C2)cc1Br 2315958900 KLSKBWNKCKYHNO-LBPRGKRZSA-N 324.140 3.125 10 10 DGCE CCC[C@@H](O)CN(C)Cc1ccc(C)c(Br)c1O 2327605846 JPMJGPVZLCOYHF-GFCCVEGCSA-N 316.239 3.056 10 10 DGCE CC1(C)COC[C@H]1CNCc1cc(Cl)cc(Cl)c1O 2336149462 YVDPXZNMAKKBQA-SNVBAGLBSA-N 304.217 3.461 10 10 DGCE COc1ccc(N2CC[C@@H](C(=O)O)[C@@H]2c2ccccc2F)cc1 40442885 WGZRYCMHXQICGQ-WBVHZDCISA-N 315.344 3.487 10 10 DGCE CC(C)NCc1cc(F)c(N2CCSC[C@@H]2C)c(F)c1 70220623 VTWIYDNDOAGTTC-NSHDSACASA-N 300.418 3.405 10 10 DGCE Cc1ccc([C@H]2CN(Cc3ccc(N(C)C)cc3)CCO2)o1 93864556 WIFQLKLSCHOFOA-GOSISDBHSA-N 300.402 3.228 10 10 DGCE CC(C)CC[C@@H](N)c1cccc(I)c1O 95780804 JZBAHAYZNJUHAM-LLVKDONJSA-N 319.186 3.433 10 10 DGCE Cc1ccc([C@H](C)NCCCNC(=O)OC(C)(C)C)c(O)c1 185340781 WIIPKIPFCXHFSI-ZDUSSCGKSA-N 308.422 3.266 10 10 DGCE C[C@@H]1CCC[C@@H](C)N1NCc1cccc(Br)c1O 214097031 NXMMBTQRVNNQBA-GHMZBOCLSA-N 313.239 3.422 10 10 DGCE COc1ccc(N(C[C@H](O)COC(C)C)[C@H](C)C2CC2)cc1 246588045 IJXOIFUAJKVGET-PBHICJAKSA-N 307.434 3.086 10 10 DGCE C[C@H](N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccc(N(C)C)cc1 248710097 IXLYGSTUUNFSQQ-OKDNKWQNSA-N 300.446 3.361 10 10 DGCE Cn1nccc1C1=CCN(Cc2cccc(Cl)c2O)CC1 289099594 CAQXFDHYBZQDDA-UHFFFAOYSA-N 303.793 3.068 10 10 DGCE CN(Cc1cc(Cl)cc(Cl)c1O)C1(C(=O)O)CCC1 388638338 JQHHVYIEVLOGQE-UHFFFAOYSA-N 304.173 3.138 10 10 DGCE CC[C@H](NCc1nn(C)cc1Br)c1ccccc1O 393348502 MWIRHAJACCCWIN-LBPRGKRZSA-N 324.222 3.129 10 10 DGCE CO[C@H]1CN(Cc2ccc(Br)cc2O)CC[C@H]1C 691679498 SEFGXKSTJGWWJK-YGRLFVJLSA-N 314.223 3.012 10 10 DGCE CCC(C)(CC)NC(=O)NCc1ccc2c(c1)CCCN2C 763075411 CGUGROPPNRTKLK-UHFFFAOYSA-N 303.450 3.447 10 10 DGCE Cc1ccc(C(=O)N(C)Cc2cc(Cl)ccc2F)c(O)c1O 765636718 XIGNAQCONJCDGI-UHFFFAOYSA-N 323.751 3.471 10 10 DGCE Cc1sccc1CC(=O)NCc1ccc2c(c1)CCCN2C 786847892 CXDLGDIRHBVJAY-UHFFFAOYSA-N 314.454 3.298 10 10 DGCE Cc1cc(N(C)C)ccc1CN[C@@H]1CCC[C@H]1[C@@H]1CCCCN1 817893617 GHQGAXHROMKICN-SLFFLAALSA-N 315.505 3.461 10 10 DGCE CCN(C)C[C@@H]1CCN(C/C=C/c2ccc(N(C)C)cc2)C1 835027153 BOPKRLAASPNWRN-DKFQHHCZSA-N 301.478 3.039 10 10 DGCE CN(C)c1ccc(/C=C/CNC[C@@H](O)c2cccc(F)c2)cc1 835034360 AHUATHUPHXMSNK-VZSQWMKGSA-N 314.404 3.228 10 10 DGCE CN(C)c1ccc(CN(CC(F)(F)F)C(=O)C2(F)CC2)cc1 843544134 JLBFUMPPFQXMAD-UHFFFAOYSA-N 318.314 3.146 10 10 DGCE C[C@@H](N[C@H](C1CCOCC1)C1CC1)c1cc([N+](=O)[O-])ccc1O 846190458 XYNZBCYAPPDBTO-DIFFPNOSSA-N 320.389 3.156 10 10 DGCE CCOc1ccc(O)c(CN[C@H](C2CC2)[C@H]2CCCCO2)c1 848560798 RMRSKXWFGCPHAX-QZTJIDSGSA-N 305.418 3.228 10 10 DGCE COc1ccc(CNCc2c(C(F)(F)F)cnn2C)cc1C 850113819 WINSZJXDGLOCOR-UHFFFAOYSA-N 313.323 3.046 10 10 DGCE CCc1cc(C)nc(N[C@@H]2CCN(c3ccc(OC)cc3)C2)n1 853759299 RSSYBOMRNUMLJR-OAHLLOKOSA-N 312.417 3.047 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)/C(C)=C\C(C)(C)C)C2)cc1 855224995 HGXISPZKKFMCBE-IKESIWSLSA-N 316.445 3.383 10 10 DGCE CCO[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)C(C)C 858836548 CEFUZTMPIWJWOH-GOSISDBHSA-N 318.461 3.354 10 10 DGCE COC[C@@]1(C)CN(Cc2cc(C(C)C)c(C)cc2O)CCO1 863339906 GGWGZPNQKPQLCT-GOSISDBHSA-N 307.434 3.061 10 10 DGCE COc1cc(C)cc(CNC[C@@H]2CC23CCSCC3)c1O 895029345 DRQVSINGFDUIIV-AWEZNQCLSA-N 307.459 3.332 10 10 DGCE CCC(F)(F)CNC(=O)c1cc2cc(O)c(O)cc2s1 899137188 ZSTFQPXIVWAJIT-UHFFFAOYSA-N 301.314 3.088 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2COC(C)(C)C2)cc1 1134807124 XBEGSMYMHHBEQV-MRXNPFEDSA-N 312.413 3.391 10 10 DGCE COc1ccc(Cl)cc1CC(=O)N[C@@H](C)c1ccccc1O 1151892208 LHSQDIUEAVRHQX-NSHDSACASA-N 319.788 3.474 10 10 DGCE CN(Cc1ccccc1O)c1nc2ccccc2n2cncc12 1307073203 RKTOPHSONYUYDG-UHFFFAOYSA-N 304.353 3.225 10 10 DGCE CSC1(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)CC1 1352616139 YNWGKGQPUDZIIG-UHFFFAOYSA-N 304.459 3.141 10 10 DGCE O=C(NCc1cccc(Cl)c1O)c1cc(F)cc([N+](=O)[O-])c1 1457038240 PNDNPFFZCNAABF-UHFFFAOYSA-N 324.695 3.023 10 10 DGCE Cc1ccccc1C1(C(=O)NCc2cc(O)ccc2O)CCC1 1633598836 DBLILVSYVAUVJZ-UHFFFAOYSA-N 311.381 3.144 10 10 DGCE Cc1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(N)cc1F 1638957321 NFBKCRRRMKIPNB-LBPRGKRZSA-N 315.392 3.273 10 10 DGCE Cn1c(-c2ccccc2)cnc1SCOC(=O)N1CCCC1 1640759381 RUBPDTFSOKUYBP-UHFFFAOYSA-N 317.414 3.369 10 10 DGCE O=C(NCc1cc(O)ccc1O)C1(c2ccc(Cl)cc2)CC1 1644752434 FNDRRFNIYUFWRS-UHFFFAOYSA-N 317.772 3.099 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1ccc(Cl)[nH]1 1645442871 BYASIJUKBIRIPI-UHFFFAOYSA-N 300.745 3.457 10 10 DGCE O=C(NCc1cccc2cc[nH]c12)N1Cc2cccc(O)c2C1 1681402497 OIXQIAXNHAZSTF-UHFFFAOYSA-N 307.353 3.099 10 10 DGCE COc1ccc(CN[C@H](C)CN(C)C(=O)CC2CCC2)cc1C 1700743563 IXENETOLYFXCBQ-OAHLLOKOSA-N 318.461 3.130 10 10 DGCE COc1ccc(CN[C@H](C)[C@H](C)NC(=O)C=C2CCC2)cc1C 1733970271 OZYBCNGKVFXARS-CABCVRRESA-N 316.445 3.097 10 10 DGCE CCc1ccc(/C=C2/SC(=S)N([C@@H](CC)CO)C2=O)cc1 1858590259 GELCHMQLDZGLLK-FYQHACEVSA-N 321.467 3.221 10 10 DGCE CCCC1=NN(CCC)C(=O)/C1=C/c1cccc(OC)c1OC 1865672677 KEELKYNGANCBNP-WYMLVPIESA-N 316.401 3.496 10 10 DGCE CC[C@@H]1[C@@H]([C@@H](N)c2ccccc2O)CCN1C(=O)OC(C)(C)C 1936986463 IDQBXAJJHLDEOF-JGGQBBKZSA-N 320.433 3.428 10 10 DGCE O=S(=O)(Nc1cc(Cl)c(O)c(Cl)c1)C1(Cl)CC1 1941418713 DDWSSEYAZQGAMU-UHFFFAOYSA-N 316.593 3.170 10 10 DGCE C[C@@H](CCCCCO)NCc1ccc(Br)cc1O 1969743592 RBCLXGFPMGGCLO-NSHDSACASA-N 316.239 3.186 10 10 DGCE CN(c1ccc(N)cc1)[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 1980490025 ASOSCTNROJKRSP-INIZCTEOSA-N 319.449 3.495 10 10 DGCE CNCc1ccc(N(C)CC(C)(C)F)c(Br)c1 2001372172 WSERSAYVVZTGGY-UHFFFAOYSA-N 303.219 3.353 10 10 DGCE C[C@@H]1N(Cc2cccc(Br)c2O)CCC1(F)F 2004632824 JUTPUZVIFBUDAF-QMMMGPOBSA-N 306.150 3.384 10 10 DGCE [N-]=[N+]=NCC1CCN(Cc2ccc(Br)nc2)CC1 2044764884 RWYRIVWRYIKIKM-UHFFFAOYSA-N 310.199 3.366 10 10 DGCE Nc1ccc(OC[C@H](O)c2cccc(Br)c2)cc1 2050530932 RJDVXEWCTPYAIF-AWEZNQCLSA-N 308.175 3.144 10 10 DGCE Cc1ccnc(CN2CCC[C@@H]2CN=[N+]=[N-])c1Br 2059060842 ULQUXCGXCIRTTJ-SNVBAGLBSA-N 310.199 3.427 10 10 DGCE CC(C)c1cc(C(=O)N(C)C)n([C@H](C)c2ccc(F)cc2O)n1 2070083687 HUWXJURLGCJAGM-LLVKDONJSA-N 319.380 3.162 10 10 DGCE CCc1c(C2CCC2)nn(Cc2ccc(OC)cc2O)c1N 2079797850 QWKILXQSGLIBHX-UHFFFAOYSA-N 301.390 3.058 10 10 DGCE CC[C@@H](c1ccc(OC)cc1O)n1nc(C2CCC2)c(N)c1N 2080035568 SINOFYLNNNGJMZ-ZDUSSCGKSA-N 316.405 3.029 10 10 DGCE O=C(O)C=Cc1ccc(N2C[C@H](F)C[C@@H](F)C2)c(Cl)c1 2182601036 WPLPDYVQZMMYMN-GHMZBOCLSA-N 301.720 3.324 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)c1cc(Cl)nc(Cl)c1 2225794512 GNWSIDBKIDCPIE-HTQZYQBOSA-N 300.149 3.350 10 10 DGCE CN(Cc1c(O)cccc1Cl)C[C@@H](F)C1CCOCC1 2238365339 RSBVSMQXUABGEY-CQSZACIVSA-N 301.789 3.242 10 10 DGCE COc1ccc(C(=O)O)c(NCc2cnc(SC)s2)c1 2284555091 GWGOSPBWQJRBIW-UHFFFAOYSA-N 310.400 3.184 10 10 DGCE C[C@H](Nc1cscc1S(C)(=O)=O)c1cc(F)ccc1O 2288491394 SGHXCRSJNHBVFB-QMMMGPOBSA-N 315.391 3.169 10 10 DGCE CN1C(=O)C(=Cc2csc(-c3ccccn3)n2)SC1=S 2297310981 AFEBGWAFGQEBAM-UHFFFAOYSA-N 319.436 3.036 10 10 DGCE CCN1C(=O)C(=Cc2cc(OC)c(OC)cc2C)SC1=S 2297358589 BJAXERUCTBSFNR-UHFFFAOYSA-N 323.439 3.233 10 10 DGCE Cc1ccc(CNc2cncnc2C)c(O)c1Br 2327618850 OGKSITWPTWEUNM-UHFFFAOYSA-N 308.179 3.174 10 10 DGCE CC(C)OC(=O)c1cccc(N=NN(C)C2CCN(C)CC2)c1 2330233047 MNLBGRRMVHFAST-UHFFFAOYSA-N 318.421 3.277 10 10 DGCE CN(c1ccc(CN)cc1Br)[C@@H]1C[C@@H]2C[C@H]1[C@@H]1C[C@@H]21 2330299670 MKPIZOQEQWIEHZ-CQUYNDQOSA-N 321.262 3.389 10 10 DGCE Cc1ccc(CN2C[C@@H]3CCC[C@H]3C2=O)c(O)c1Br 2352656847 MOJCEFWILNGUSV-CMPLNLGQSA-N 324.218 3.222 10 10 DGCE CNC1C[C@@H]2CC[C@H](C1)N2c1cc(Cl)c(OC)cc1OC 54627508 RZDCUOAIZNCBQC-YOGCLGLASA-N 310.825 3.076 10 10 DGCE C[C@H]1CNc2cc3c(cc2N1Cc1ccccc1F)OCO3 57925340 SLOKYHRHNFELQR-NSHDSACASA-N 300.333 3.375 10 10 DGCE CC(C)(C)SCC(=O)NCc1c(O)ccc2c1CCCC2 75159522 KLERUNXAYMSKRV-UHFFFAOYSA-N 307.459 3.419 10 10 DGCE CCCCN(CCCC)Cc1ccc(N2CCNCC2)cc1 84857407 UVQNPRPRXNIXAD-UHFFFAOYSA-N 303.494 3.498 10 10 DGCE C[C@@H](c1ccccn1)N1CCN(Cc2ccc(N(C)C)cc2)CC1 155044429 OIWFUCJJDZEOSF-KRWDZBQOSA-N 324.472 3.026 10 10 DGCE Cc1ccc(C(=O)N2CCCC[C@H]2c2cccn2C)c(O)c1O 179532777 RGLLALWKPKKMIF-HNNXBMFYSA-N 314.385 3.112 10 10 DGCE Cc1ccc(NC(=O)Nc2cc(O)c(O)c(O)c2)cc1Cl 217278625 ISEJWYLLMHOWST-UHFFFAOYSA-N 308.721 3.409 10 10 DGCE CO[C@@H]1CCCN(c2ccc([C@@H](C)N)cc2Br)C1 230262297 BNZJRDZBEHPPNM-ZYHUDNBSSA-N 313.239 3.084 10 10 DGCE C[C@H](NC[C@@H]1CC[C@@H](O)C1)c1ccc(N2CCCCC2)cc1 248952219 AAANIIBVOSMLOT-FRQCXROJSA-N 302.462 3.489 10 10 DGCE C[C@H]1COCC[C@@H]1NCc1ccc(N(C)C)cc1C(F)(F)F 280521627 HTMIHKNEQIGZMG-NHYWBVRUSA-N 316.367 3.286 10 10 DGCE C[C@@H]1C[C@@H](CCNCc2cc(Cl)c(F)cc2O)CCO1 293636713 NPCYLUCRXTVUGS-MNOVXSKESA-N 301.789 3.480 10 10 DGCE Cc1cnc(C)c(N2CC=C(c3c[nH]c4ncccc34)CC2)n1 359707160 NMMCTNNMEFDSLJ-UHFFFAOYSA-N 305.385 3.263 10 10 DGCE CN[C@H](C)c1ccc(N2CC[C@@H](F)C2)cc1Br 689849425 LRNKUCQMJVSZFK-NXEZZACHSA-N 301.203 3.278 10 10 DGCE O=C(O)c1ccccc1NCc1ccc(Br)cc1O 691440928 TUUQOYJQQSQUEX-UHFFFAOYSA-N 322.158 3.465 10 10 DGCE COC[C@H]1CCCN1c1ccc([C@H](C)O)c(Br)c1 696589487 KBJZXAHJCUCBBD-CMPLNLGQSA-N 314.223 3.118 10 10 DGCE C[C@]12CN(Cc3ccccc3)C[C@H]1CN(c1ccc(CN)cc1)C2 702121346 YEASFPHJEWRYNV-PZJWPPBQSA-N 321.468 3.104 10 10 DGCE Oc1c(F)cc(Br)cc1CNC[C@H]1CC1(F)F 715738343 RVGPHJPKFJNXKK-SSDOTTSWSA-N 310.113 3.039 10 10 DGCE CN(CCN(C)c1ccccc1)Cc1cc2c(cc1O)CCC2 730804442 SRSVBQPWIZWWCM-UHFFFAOYSA-N 310.441 3.449 10 10 DGCE CC[C@@H]1OCC[C@H]1C(=O)NCc1ccc(N(CC)CC)c(F)c1 796307549 MKLKIPHEVASXKB-PBHICJAKSA-N 322.424 3.103 10 10 DGCE CN(C)c1ccc(CN2CCCC[C@@H]2c2ccnn2C)cc1F 798960526 HVSQOGQMBGKVBB-GOSISDBHSA-N 316.424 3.352 10 10 DGCE CC[C@@H]1CN(Cc2cc(Cl)cc(C)c2O)C[C@H](C)[S@@]1=O 809700121 XVLDTHDGWDOUHA-CJAGKMTESA-N 315.866 3.085 10 10 DGCE CC[C@H](NC1COCCOC1)c1ccc(Cl)c(Cl)c1O 813878718 FQDJOENIRHCMEU-LBPRGKRZSA-N 320.216 3.155 10 10 DGCE c1cnc2c(=NCCCSc3nccs3)cc[nH]c2c1 814849298 PIHQDCUJDDAKMK-UHFFFAOYSA-N 302.428 3.103 10 10 DGCE CC(C)CCc1nnc(NC(=O)NCc2ccccc2O)s1 824222561 JDGCZNVKIVPDGO-UHFFFAOYSA-N 320.418 3.154 10 10 DGCE CO[C@@H](C)CCNC(=O)Cc1cc(C)n(-c2ccccc2)c1C 825395876 MQGMKGRQUCOUPY-HNNXBMFYSA-N 314.429 3.178 10 10 DGCE CN(C/C=C\c1ccc(N(C)C)cc1)C[C@@H]1CCCN(C)C1 835026452 WSOWXFMZEVLPMY-YEODSOHDSA-N 301.478 3.039 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@@H]2CCCN3CCCC[C@H]23)cc1 848574128 AAJHLSQTOZKVGQ-JZOYJOIISA-N 313.489 3.372 10 10 DGCE Oc1cc2c(cc1CN1CCCC[C@@H]1CC1CCC1)[C@H](O)CO2 853607793 VXOSWQMKGYYXAY-CRAIPNDOSA-N 317.429 3.363 10 10 DGCE C[C@H](NC(=O)Nc1ccc([C@@H]2C[C@H]2N)cc1)c1ccccc1O 868176497 PJIVUGURGOASIJ-KNXALSJPSA-N 311.385 3.090 10 10 DGCE CO[C@@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)CC(C)C 897988721 WPYHHKNEZDIUML-LLVKDONJSA-N 323.414 3.103 10 10 DGCE COc1cc(Cl)cc(CN2CCCC[C@]3(CCNC3)C2)c1O 903959946 SOAQFGHPRVQNBO-QGZVFWFLSA-N 324.852 3.020 10 10 DGCE c1cc([C@@H](NCc2ccc(N3CCOCC3)cc2)C2CC2)ccn1 934699581 ZRRNSCQNSODASY-FQEVSTJZSA-N 323.440 3.159 10 10 DGCE COC(=O)COc1ccc(N(C)Cc2ccc3cc[nH]c3c2)cc1 1473372634 BCHHGDNXTSAMHL-UHFFFAOYSA-N 324.380 3.356 10 10 DGCE C[C@@H](NC(=O)c1cnc2cc[nH]c2c1)c1ccc(N(C)C)cc1 1523640101 YGRKVZIVQNMLQD-GFCCVEGCSA-N 308.385 3.120 10 10 DGCE CCN(CC)c1ccc(CNC(=O)c2cc3cnccc3[nH]2)cc1 1626085053 AMAKBTLJKCJHID-UHFFFAOYSA-N 322.412 3.339 10 10 DGCE COc1ccc2c(c1)c1c(n2CC(=O)NC(C)(C)C)CCCC1 1629404868 JSQZRJJAMHDDAK-UHFFFAOYSA-N 314.429 3.443 10 10 DGCE CN(Cc1ccccc1O)C(=O)c1ccc(-c2cn[nH]c2)cc1 1629955109 SJVAXRBBQJIFRK-UHFFFAOYSA-N 307.353 3.055 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N2CCc3cc(F)ccc32)cc1 1634008768 IZDNXFALNUXNCY-UHFFFAOYSA-N 312.304 3.191 10 10 DGCE CC1(CNC(=O)c2cc3cc(O)c(O)cc3s2)C[C@@H]2C[C@H]2C1 1635077393 VWMWSEQAVLSTLG-QWRGUYRKSA-N 317.410 3.479 10 10 DGCE C[C@H](NC(=O)[C@H](O)C1CCCCCCC1)c1ccccc1O 1643745657 VGAZMQFAMXWOIP-SUMWQHHRSA-N 305.418 3.291 10 10 DGCE C[C@H]1CN(c2ccc(N)cc2)CC[C@@H]1NC(=O)OC(C)(C)C 1959569379 SQKUSMWCSBNPAU-WFASDCNBSA-N 305.422 3.008 10 10 DGCE CN(CCN=[N+]=[N-])CCC1CCN(C(=O)OC(C)(C)C)CC1 1962302648 BJRLVTRMNYXAKC-UHFFFAOYSA-N 311.430 3.266 10 10 DGCE C[C@@H](c1ccc(F)cc1O)n1nccc1C(=O)OC(C)(C)C 2069972804 HOVZEAXEJZJBOS-JTQLQIEISA-N 306.337 3.292 10 10 DGCE NCc1ccc(N2[C@H]3CC[C@H]2CC(F)C3)cc1Br 2072030581 ZADQEHUUZZXLFY-RYUDHWBXSA-N 313.214 3.377 10 10 DGCE Oc1c(F)cccc1Cn1nc(C2CC2)c(O)c1C(F)(F)F 2079107740 DOMSHANQVVDWSN-UHFFFAOYSA-N 316.254 3.378 10 10 DGCE C[C@@](O)(c1ccccc1Br)[C@H](N)c1ccccc1O 2091863983 QMVJDXNVDDHOMQ-HUUCEWRRSA-N 322.202 3.062 10 10 DGCE CCNCc1ccc(N(C)Cc2cocn2)cc1Br 2104100457 WZZDCKHMGXCKAT-UHFFFAOYSA-N 324.222 3.183 10 10 DGCE [N-]=[N+]=NCC1(CNC(=O)Cc2ccccc2Br)CC1 2117726600 BHHPWZQGONCQHM-UHFFFAOYSA-N 323.194 3.198 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1CC2(CCC2)[C@@H]1O 2140680651 WSQYDPOGIBSVAD-DGCLKSJQSA-N 302.201 3.092 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@H](C1)N2c1ccc(N)cc1 2210701868 YGEKCUBRKHEKGB-IYBDPMFKSA-N 317.433 3.247 10 10 DGCE CCC1(CNCc2c(Br)ccc(OC)c2O)CC1 2220462820 RFMILZIKFXTVHG-UHFFFAOYSA-N 314.223 3.443 10 10 DGCE C[C@]1(CC(=O)O)CCN1Cc1cc(Cl)cc(Cl)c1O 2229505835 FMMXAIPXYYGJGS-CYBMUJFWSA-N 304.173 3.138 10 10 DGCE CCN[C@H](C)c1ccc(N(C)Cc2nncs2)cc1Cl 2281382259 ZACMRCMYGVIMAM-SNVBAGLBSA-N 310.854 3.498 10 10 DGCE C[C@@H]1C[C@@H](C)C1NCc1cc(Br)cc(F)c1O 2301209390 BLDJSULCFPUBRW-HTQZYQBOSA-N 302.187 3.428 10 10 DGCE CC1=NN(c2ccccc2)C(=O)C1=C1C(=O)Nc2ccc(C)cc21 2314397340 CKQOPAXPMUVTEU-UHFFFAOYSA-N 317.348 3.123 10 10 DGCE COc1ccccc1N=Nc1c(C(=O)O)nc2c(O)cccn12 2320774287 NQTDLAHRHSPKNX-UHFFFAOYSA-N 312.285 3.162 10 10 DGCE COCCN(CCOC)N=Nc1ccc(N2CCCCC2)cc1 2330217161 UMXNQZLXJFYTIX-UHFFFAOYSA-N 320.437 3.270 10 10 DGCE Cc1cncnc1N(C)Cc1ccc(C)c(Br)c1O 2352636602 GHTGSCLWOWCVDB-UHFFFAOYSA-N 322.206 3.198 10 10 DGCE Cc1ccc(CN(C)c2nccnc2C)c(O)c1Br 2352644507 ASAZFDRZCJWQNL-UHFFFAOYSA-N 322.206 3.198 10 10 DGCE Nc1ccc(OCCCN2CC[C@H](SC(F)F)C2)cc1 2365687297 WYTKNIUKBYCNAV-ZDUSSCGKSA-N 302.390 3.068 10 10 DGCE Oc1cc(Cl)ccc1CNCc1cnc(C(F)(F)F)o1 2368033946 CYUBRBDAJFQECQ-UHFFFAOYSA-N 306.671 3.342 10 10 DGCE CO[C@]1(C(F)F)C[C@H](CNCc2cccc(Cl)c2O)C1 2369092873 ORKAMIBEMZEYEE-DEZZCRIOSA-N 305.752 3.196 10 10 DGCE CCCNCc1nc(CN(C)c2ccc(OC)cc2)cs1 52541717 DSRIXCPRTUAAGF-UHFFFAOYSA-N 305.447 3.288 10 10 DGCE CC(C)c1ccc([C@@H]2NC(=O)N(Cc3ccc(N)cc3)C2=O)cc1 57848756 QGXUPFOGHVBJFS-KRWDZBQOSA-N 323.396 3.185 10 10 DGCE CCc1cc(N(C)Cc2ccccc2O)nc(-c2ccccn2)n1 89635597 GRUUFNWGADKDCO-UHFFFAOYSA-N 320.396 3.443 10 10 DGCE N[C@@H](c1c(Cl)ccc(Br)c1O)C(F)(F)F 95715959 FVDOYORPLIYFDJ-ZETCQYMHSA-N 304.493 3.370 10 10 DGCE CCn1nc(C)c(Cl)c1CC(=O)CCc1ccc(N)cc1 124606740 XGSWVXHZYBAEFF-UHFFFAOYSA-N 305.809 3.191 10 10 DGCE CC(C)NCc1ccc(N2C[C@@H](C)[C@@H](N(C)C)C2)c(Cl)c1 124643388 PEZBLCPORUXIIK-DYVFJYSZSA-N 309.885 3.224 10 10 DGCE CCCN(C)c1ccc(CNCCOC)cc1C(F)(F)F 163668390 PTIGIZFLFACWPO-UHFFFAOYSA-N 304.356 3.288 10 10 DGCE CNCc1ccc(N2C[C@H](C)OC[C@@H]2C)cc1C(F)(F)F 227118530 QIKMMGSSCHQOPQ-QWRGUYRKSA-N 302.340 3.038 10 10 DGCE C[C@H](NC/C=C/CNC(=O)OC(C)(C)C)c1ccccc1O 227755434 IQUUZLXGLASLEU-GWJCSSMESA-N 306.406 3.124 10 10 DGCE CN(C)c1ccc(CNC(=O)/C=C\c2ccnc(Cl)c2)cc1 255732265 ZLQSPLYPHHGORL-YVMONPNESA-N 315.804 3.131 10 10 DGCE CC[C@H](CNC(=O)OC(C)(C)C)N[C@H]1CCc2cccc(O)c21 309720435 NOEWWHAYSGVZHS-KGLIPLIRSA-N 320.433 3.272 10 10 DGCE CC[C@@H]1CCCN1c1cc(Br)c(CN)cc1F 310324496 WMVWDRZYCPFQBQ-SNVBAGLBSA-N 301.203 3.426 10 10 DGCE OC[C@@H]1CCC[C@H](NCc2cc(Cl)cc(Cl)c2O)C1 311513067 RVXNAIPFRLKJDZ-SKDRFNHKSA-N 304.217 3.340 10 10 DGCE COCCNCc1ccc(N2CC[C@H](SC)C2)cc1Cl 382954781 MMYVMGMZZXOTPR-AWEZNQCLSA-N 314.882 3.018 10 10 DGCE CN(Cc1cc(Cl)cc(Cl)c1O)[C@@H](CN)C(F)(F)F 698704428 BPLQVDHYMXTIPX-VIFPVBQESA-N 317.138 3.020 10 10 DGCE C[C@@H]1CN(Cc2c(O)cccc2Cl)C[C@](C)(C(F)F)O1 698928424 JSAQKNFERPBGRE-YMTOWFKASA-N 305.752 3.290 10 10 DGCE CNCc1cc(F)c(N2CCC(CSC)CC2)c(F)c1 719322909 BZMFATQWYQPBNQ-UHFFFAOYSA-N 300.418 3.264 10 10 DGCE Cc1cc(C(=O)N2CC[C@@H](C)[C@@H](F)C2)c(C)n1-c1ccccn1 778466872 IJALCKKRCBSBFE-WBMJQRKESA-N 315.392 3.309 10 10 DGCE CCN(CC)c1ccc(CNC(=O)N[C@H]2[C@H]3CCC[C@H]32)cc1F 787211848 SEOYFPLDAZBZJT-XOIINTDNSA-N 319.424 3.270 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)OC[C@@H]1C[C@H]1c1ccccc1 812590067 STRHPDQXNNIMHU-RDIIQDETSA-N 310.349 3.458 10 10 DGCE CCOc1ccc(O)c(CN2C[C@@]34CCCC[C@]3(COC4)C2)c1 827849632 GJQDCVHKVDYJIL-RTBURBONSA-N 317.429 3.184 10 10 DGCE C[C@H](NC/C=C\c1ccc(N(C)C)cc1)c1nnc2ccccn12 835035790 KTTHRZRBUGRRFT-XHPSBEMXSA-N 321.428 3.159 10 10 DGCE C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1C[C@H]1C 840719975 XKSWIXQWADARLA-ZRGWGRIASA-N 302.462 3.029 10 10 DGCE COc1cccc(CNCC[C@@H]2CCc3ccccc3N2)c1O 844905090 VIYZOXVZXIUUEO-INIZCTEOSA-N 312.413 3.307 10 10 DGCE COC[C@@H](CCN[C@H](C)c1cc(Cl)c(Cl)cc1O)OC 850485373 GOWMLXSDYWSEOU-NXEZZACHSA-N 322.232 3.401 10 10 DGCE COc1ccnc(CN[C@H](C)c2c(C)cc(C)cc2O)c1F 850536722 MYGZWNCABNYOQT-GFCCVEGCSA-N 304.365 3.403 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CCC[C@@H]3C[C@H]23)c1 852562408 AUNMVXXLTPWPKZ-ZWUHOBOKSA-N 318.417 3.197 10 10 DGCE COc1nc(C)cc(C)c1CN(C)Cc1cc(F)ccc1O 857068582 BFVQAJBFKHVSAN-UHFFFAOYSA-N 304.365 3.184 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@@H](C2CCC2)[C@@H]2CCCO2)c1 866491739 XHELUQQRFSUASV-IGNZVWTISA-N 305.418 3.399 10 10 DGCE C[C@H](Cc1cccs1)NC(=O)NCc1c(O)cccc1F 914105001 QKSJIFCQHCHDHK-SNVBAGLBSA-N 308.378 3.023 10 10 DGCE C[C@@H]1C[C@H](NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCS1 922054875 MQWRRXZBYLACEE-UMVBOHGHSA-N 321.490 3.397 10 10 DGCE COC[C@H](CNC1CCN(c2ccc(OC)cc2)CC1)C(C)C 922948470 YTSDAHQENGQFDY-INIZCTEOSA-N 320.477 3.172 10 10 DGCE C/C(=C/C(=O)NCc1ccc2cccnc2c1O)c1ccco1 1142731323 UMWOSMBIIBKSRK-BENRWUELSA-N 308.337 3.253 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2C[C@H]1CCC(C)(C)CO1 1192938067 CSDOPGKSBZWMOT-OAHLLOKOSA-N 304.434 3.157 10 10 DGCE CC(F)(F)c1ccc(C(=O)NCc2ccc(O)cc2O)cc1 1299573223 IMIYACDQOXPRSS-UHFFFAOYSA-N 307.296 3.140 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)c1cc2c(o1)CCCC2 1360075637 MFZXSTCZNSFOKR-UHFFFAOYSA-N 312.413 3.463 10 10 DGCE C[C@@H]1Cc2cccc(C(=O)NCc3cc(Cl)ccc3O)c2O1 1452935887 MQHQQZRVRHMVHI-SNVBAGLBSA-N 317.772 3.299 10 10 DGCE O=C(NCc1c(O)cccc1F)c1cc(F)cc2ccoc12 1471975891 LKVMCMCLWBXLRY-UHFFFAOYSA-N 303.264 3.347 10 10 DGCE Cc1cc(CC(=O)Nc2ccc(O)nc2)c(C)n1-c1ccccc1 1472558257 OREWJIDZKSGKCS-UHFFFAOYSA-N 321.380 3.376 10 10 DGCE CN(Cc1ccccc1O)C(=O)c1ocnc1-c1ccccc1 1566304187 WBSCKYMQHXCOIK-UHFFFAOYSA-N 308.337 3.319 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)Nc1nc2cccc(F)c2o1 1642559209 FKHYCHPYLCOZRL-VIFPVBQESA-N 302.305 3.421 10 10 DGCE CCOc1ccc(N(C)CCOC(=O)Cc2ccccc2)cc1 1654718300 BEJGUPMRENFQBZ-UHFFFAOYSA-N 313.397 3.307 10 10 DGCE COc1ccc(CN[C@H]2C[C@H](NC(=O)[C@@H](C)C(C)C)C2)cc1C 1713960368 CKXMZORVQFNUEE-XIRDDKMYSA-N 318.461 3.033 10 10 DGCE CCCN1N=C(CC)/C(=C\c2cc(Cl)c(O)c(OC)c2)C1=O 1865674929 GCQCXUUFMGHSDK-YRNVUSSQSA-N 322.792 3.456 10 10 DGCE O[C@@H]1CC[C@@H]2CN(c3ccc(OCc4ccccc4)cc3)C[C@@H]21 1899866867 RYOSBEJJXGUDDL-LSTHTHJFSA-N 309.409 3.473 10 10 DGCE CC(C)(CNC(=O)OC(C)(C)C)C[C@@H](N)c1ccccc1O 1928469221 FXYSXLSJEBLRIA-CYBMUJFWSA-N 308.422 3.333 10 10 DGCE CC(C)(C)OC(=O)N[C@@H](CC1CC1)[C@H](N)c1ccccc1O 1928471610 WBRGDAYEDMLWJJ-DZGCQCFKSA-N 306.406 3.085 10 10 DGCE COc1c(NC(=O)OC(C)(C)C)cccc1[C@H](CO)N=[N+]=[N-] 1951399480 AGTVSDXUKQNFBW-NSHDSACASA-N 308.338 3.386 10 10 DGCE COC(=O)CC[C@H](N)c1c(O)c(Cl)cc(Cl)c1Cl 1951662272 BMPCXBFVKIHXAL-ZETCQYMHSA-N 312.580 3.305 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](F)C[C@H]1c1ccc(N)cc1O 1953062330 FPARQKUJVISDEI-GWCFXTLKSA-N 310.369 3.385 10 10 DGCE CC(C)(C)OC(=O)NCC1(F)CC([C@H](N)c2ccccc2O)C1 1976973724 UYOFFJKZLGHMEP-WKXXDYOBSA-N 324.396 3.035 10 10 DGCE CC(F)(F)[C@H]1CCN(c2ccc(CN)c(Br)c2)C1 2042055760 FPLQIZHMLBETIN-JTQLQIEISA-N 319.193 3.389 10 10 DGCE CO[C@@H]1CC[C@@H]1CCNCc1c(O)cccc1Br 2066816923 NMRMCAVFXXWBTH-QMTHXVAHSA-N 314.223 3.059 10 10 DGCE COc1cccc(O)c1[C@@H](C)n1nc(CC(C)C)cc1C=O 2070040816 PPVXWBCFJUSIRJ-GFCCVEGCSA-N 302.374 3.218 10 10 DGCE Cc1nc([C@H](O)CCc2ccc(N)cc2)ccc1Br 2100781471 MKXJAVGMPJDMOZ-OAHLLOKOSA-N 321.218 3.401 10 10 DGCE S=c1nc(C2=S=Nc3ccccc32)[nH]c2c1CSC2 2103699258 KMLPFUOLVHMGMI-UHFFFAOYSA-N 303.437 3.366 10 10 DGCE [N-]=[N+]=NCC1(CNC(=O)c2ccnc(Cl)c2Cl)CC1 2120743626 XSMLTQLWJOASNJ-UHFFFAOYSA-N 300.149 3.209 10 10 DGCE COc1cc(Cl)cc(CNCC2CC(SC)C2)c1O 2134053395 DNBCZEITLQDPPR-UHFFFAOYSA-N 301.839 3.285 10 10 DGCE CN[C@@H](C)c1ccc(N(C)Cc2cc(Cl)ns2)cc1O 2167207314 IBKPOJXVVBDWMA-VIFPVBQESA-N 311.838 3.419 10 10 DGCE COc1ccc(N(CCCN)Cc2cc(Cl)ns2)cc1 2167227674 GAYMREFHCRPISF-UHFFFAOYSA-N 311.838 3.161 10 10 DGCE CC[C@H](N)Cc1cnc(Sc2nc(C)c3n2CCC3)s1 2176936321 FVVMZFNAFNKDEM-JTQLQIEISA-N 308.476 3.025 10 10 DGCE Cc1cccc(CNCc2ncc(C(F)(F)F)s2)c1O 2204607909 BXXUVHCLXZGCNJ-UHFFFAOYSA-N 302.321 3.466 10 10 DGCE Nc1ccc(CCC[S@@](=O)CC2(C(F)(F)F)CC2)cc1 2281239385 SCKBERPVPIEEFP-HXUWFJFHSA-N 305.365 3.293 10 10 DGCE CSc1ncc(CN2CCN[C@@H](c3ccccc3)C2)s1 2284677087 NLYXZZUTADWVOA-CQSZACIVSA-N 305.472 3.012 10 10 DGCE Cc1ccc(CN2CC(=O)CC[C@@H]2C)c(O)c1Br 2327539510 MNBRTKJYLPNSHY-JTQLQIEISA-N 312.207 3.017 10 10 DGCE CCOC(=O)[C@H]1CCCN(N=Nc2ccc(C(C)=O)cc2)C1 2330156065 NJLVRKPZDIFUDA-AWEZNQCLSA-N 303.362 3.163 10 10 DGCE NC(=O)c1cccc2c1N[C@@H](c1ccc(O)cc1)[C@H]1CC=C[C@H]21 13636780 OGCQFBRZMKKBNM-ZQIUZPCESA-N 306.365 3.318 10 10 DGCE CN(Cc1ccccc1)C(=O)CSCc1ccc(N)cc1 58237068 NSDXQYWNNOGJOC-UHFFFAOYSA-N 300.427 3.161 10 10 DGCE COC(=O)Cc1nc2ccc(C)cn2c1/N=N\c1ccccc1O 71590053 XOLPYGLMSUKEDP-VXPUYCOJSA-N 324.340 3.479 10 10 DGCE CCOC(=O)c1cnn(-c2ccc(N)cc2)c1-c1ccccc1 75896649 TZVNZKZORDOEPN-UHFFFAOYSA-N 307.353 3.298 10 10 DGCE [N-]=[N+]=NCCCN[C@H](C(=O)O)c1ccccc1C(F)(F)F 90258757 CPXOKQRYVGEACE-JTQLQIEISA-N 302.256 3.121 10 10 DGCE O=C(/C=C/c1cnc2sccn12)N1CCCc2ccccc21 96572720 OFNYDLWSSYVGAH-BQYQJAHWSA-N 309.394 3.388 10 10 DGCE COc1ccc(N2C[C@@H](N)C[C@H](CC(C)(C)C)C2)cc1OC 108212080 ITKUGAXZZXPZJE-KGLIPLIRSA-N 306.450 3.294 10 10 DGCE CCCNCc1ccc(N2CCN(C(C)C)CC2)c(Cl)c1 163958474 IEDRWHNBFSOORG-UHFFFAOYSA-N 309.885 3.370 10 10 DGCE C[C@@H](N[C@@H](Cc1ccccc1)CN(C)C)c1ccc(F)cc1O 185091535 MKDPNEWOXUGGIG-PBHICJAKSA-N 316.420 3.355 10 10 DGCE Cc1ccc([C@](C)(O)CN[C@H](C)c2ccc(F)c(F)c2O)o1 187734891 YYGJBERWAXMLFD-QLJPJBMISA-N 311.328 3.130 10 10 DGCE CN[C@H]1C(=O)Nc2cc(N3CC[C@H](C(C)C)C3)c(Cl)cc21 228732045 HALDTTUESJZPIY-ZUZCIYMTSA-N 307.825 3.035 10 10 DGCE C[C@@H](N)c1ccc(N(C)[C@H]2CCSC2)cc1Br 235209203 KBQDADQXIAOXEU-KOLCDFICSA-N 315.280 3.411 10 10 DGCE CC(=O)N(C(=O)Oc1cc(F)c(F)cc1F)c1ccc(N)cc1 243055238 IHFSXVSOHRVALL-UHFFFAOYSA-N 324.258 3.238 10 10 DGCE O=C1/C(=C/c2ccccn2)SC(=S)N1[C@@H]1C[C@H]2CC[C@H]1C2 255910932 AGXTXWJTLIWVMF-QWKFFCGJSA-N 316.451 3.471 10 10 DGCE CCc1ccc(C(=O)CCC(=O)NCc2ccc(N)cc2)cc1 297226217 ONIKAEWIKSTZOE-UHFFFAOYSA-N 310.397 3.111 10 10 DGCE C[C@@H](c1ccc(O)cc1O)N(CCCN)Cc1ccccc1 309800682 ULJLVENXWIKHSH-AWEZNQCLSA-N 300.402 3.010 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCC[C@]12CCOC2 367047490 JWDIECWFONOARZ-CQSZACIVSA-N 302.201 3.454 10 10 DGCE CC[C@H](C)[C@@H]1OC(=O)N[C@@H]1c1cc(OC(F)(F)F)ccc1O 575258309 VLJLAEWTNWKKPF-BPTDKIDVSA-N 319.279 3.486 10 10 DGCE O=C(O)/C=C/c1ccc(N2CC[C@H](F)C2)c(Br)c1 689860942 CHJGUZYNSYEHRY-YWNRKNDBSA-N 314.154 3.095 10 10 DGCE CN(C[C@@H]1CCCS1)c1ccc(CO)cc1Br 718352499 SONUPTAQCTXSFT-NSHDSACASA-N 316.264 3.273 10 10 DGCE COc1cccc(CNC(=S)Nc2ccc(C)cc2C)n1 748044585 HETILTUNLVCRGB-UHFFFAOYSA-N 301.415 3.194 10 10 DGCE Cc1nc(NCc2c(O)ccc3c2CCCC3)c2cc[nH]c2n1 751230786 SEWJUNWDLDVPPR-UHFFFAOYSA-N 308.385 3.463 10 10 DGCE CCC1(CC)CN(Cc2c(O)cccc2Cl)CC[S@]1=O 769558117 SMPCPCJRHRHNTJ-HXUWFJFHSA-N 315.866 3.169 10 10 DGCE CO[C@@H]1CCC[C@@H](N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1 773084606 URQGKWXZVDTBLM-KVSKMBFKSA-N 318.461 3.131 10 10 DGCE CC[C@H](N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)c1cc(Cl)ccc1O 775527763 UMXVATQIYICFHB-DWZYQQQCSA-N 322.836 3.096 10 10 DGCE Cc1cc(Br)c(O)c(CN2CCO[C@@H](C)[C@H]2C)c1 781908686 KXKKEUVQFXMZSF-MNOVXSKESA-N 314.223 3.072 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@H]2CCCc3c2cnn3C)cc1 835036386 PBGNKMOZLPTHEP-QWNKOJSDSA-N 310.445 3.167 10 10 DGCE COc1ccc(N2CC[C@@H](NCc3csc(C)c3)C2)cc1 850346303 DUBDYJMESHQRRJ-OAHLLOKOSA-N 302.443 3.434 10 10 DGCE CCOCc1cc(CNC[C@H]2CCOC2(C)C)ccc1OC 850409534 WPOQYBIRHISBLX-MRXNPFEDSA-N 307.434 3.136 10 10 DGCE C[C@H](NCC1(O)CCC(F)(F)CC1)c1cc(F)ccc1O 850566289 KYJGONZSUXQFQL-JTQLQIEISA-N 303.324 3.122 10 10 DGCE CCN(CC)c1ccc(CNc2cc(CO)c(F)cn2)cc1 853193380 STZHHBFNWFFVFY-UHFFFAOYSA-N 303.381 3.171 10 10 DGCE Nc1ccc(Cc2noc([C@H]3COC[C@@H]3c3ccccc3)n2)cc1 854134639 RPFJZGPMBARXRO-SJORKVTESA-N 321.380 3.140 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)C[C@H](C)CC(C)C)C2)cc1 855231609 WXPMBQBNCJDKGN-HZPDHXFCSA-N 318.461 3.462 10 10 DGCE C[C@@H](NC(=O)N[C@H](C)c1ccns1)c1ccc(N(C)C)cc1 858369799 XWWBFNSPLMSTGX-VXGBXAGGSA-N 318.446 3.331 10 10 DGCE CN(C)c1ccc(CNCc2ccnn2C2CCC2)cc1F 921623376 KOQYYVFEJVPMRR-UHFFFAOYSA-N 302.397 3.103 10 10 DGCE c1csc(SCCCN[C@@H]2CC[C@@H]3COCC[C@H]3C2)n1 921756590 YWDULCOLUQDBQZ-BFHYXJOUSA-N 312.504 3.420 10 10 DGCE C[C@@H](NCC(=O)Nc1ccc(Cl)c(F)c1)c1ccccc1O 1175419786 YJEBKEYMHWROIZ-SNVBAGLBSA-N 322.767 3.474 10 10 DGCE COc1cc2ccccc2cc1C(=O)NCc1cc(O)ccc1O 1176748325 OWWBSJQFBCPUBR-UHFFFAOYSA-N 323.348 3.190 10 10 DGCE COC1CCC(CNCc2cc(F)c(N(C)C)cc2F)CC1 1351316759 ZTSQMPFXYXFIST-UHFFFAOYSA-N 312.404 3.326 10 10 DGCE CC(C)CO[C@H](C)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1356266059 IMXCPKWVHJQOTG-MRXNPFEDSA-N 318.461 3.306 10 10 DGCE O=C(/C=C/c1ccnc(Cl)c1)NCc1cccc(Cl)c1O 1457036733 NCBDPTGEQGDMEB-SNAWJCMRSA-N 323.179 3.424 10 10 DGCE COc1cc2c(c(OC)c1)N(C[C@@H]1CC(C)(C)CO1)CCC2 1460245961 BRLQPAIIBIAPAJ-HNNXBMFYSA-N 305.418 3.272 10 10 DGCE Oc1cc(Br)ccc1CN[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@@H]12 1462521571 QHHGYQIBANYJQZ-QKGWFMCXSA-N 308.219 3.289 10 10 DGCE O=C(NC[C@H]1C[C@@H]1Cc1ccccc1)N1Cc2cccc(O)c2C1 1521519168 PGJBZVXPJIYMGM-DLBZAZTESA-N 322.408 3.296 10 10 DGCE CCN(CC)c1ccc(CNC(=O)C[C@@H]2CCCC[C@H]2O)cc1 1542089636 WFMOWADQILTEPI-FUHWJXTLSA-N 318.461 3.090 10 10 DGCE C[C@H](NC(=O)c1c[nH]nc1-c1ccsc1)c1ccccc1O 1557968046 QNWHWYIMIPGXAI-JTQLQIEISA-N 313.382 3.335 10 10 DGCE O=C(/C=C\SCc1ccco1)NCc1c(O)cccc1F 1558455151 QKSWBGKPFMOBTE-VURMDHGXSA-N 307.346 3.188 10 10 DGCE Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)c1ccccc1O 1587450963 BZDWAASOYMJOSU-NSHDSACASA-N 300.314 3.100 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)Nc2ncsc2C2CC2)cc1 1593869382 ULJWYHAYUVOMPN-UHFFFAOYSA-N 315.358 3.435 10 10 DGCE O=C(NCc1c(O)cccc1O)c1cc(C2CC2)[nH]c1C1CC1 1639292580 IUMVQQFKKFJIIK-UHFFFAOYSA-N 312.369 3.111 10 10 DGCE Cc1ccc(O)c(CNC(=O)COc2cc(Cl)ccc2C)c1 1641732941 HHEHDMIXETWHIE-UHFFFAOYSA-N 319.788 3.358 10 10 DGCE Oc1cc(Br)c(O)c(CNCc2ccccc2)c1 1923785457 ZZNWYOZXRUOTHU-UHFFFAOYSA-N 308.175 3.150 10 10 DGCE CC(C)(C)OC(=O)N(CC[C@H](N)c1ccccc1O)C1CC1 1928468991 CGYHLIYUGMLPIN-AWEZNQCLSA-N 306.406 3.182 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H]([C@H](N)c3ccccc3O)[C@@H]21 1938162477 SNFXAJWKURJSOD-DTZQCDIJSA-N 318.417 3.038 10 10 DGCE CC[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1CCCN=[N+]=[N-] 1962301137 UKABWVPYCLKYLO-CYBMUJFWSA-N 311.430 3.408 10 10 DGCE CC1(CNC(=O)OC(C)(C)C)CCN(CCCN=[N+]=[N-])CC1 1962302583 AKYWZHRUBRCAKB-UHFFFAOYSA-N 311.430 3.314 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](NCc2c(O)cccc2F)C1 1976861384 VRNWXKHFAXJKKA-NEPJUHHUSA-N 324.396 3.067 10 10 DGCE CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)c1ccc(N(C)C)cc1 1977944041 AGDHINWNKIATIS-JKSUJKDBSA-N 321.465 3.302 10 10 DGCE CN(C)c1ccc([C@H](N)c2nc(Br)cs2)cc1 1999536914 QJUCCVOPWXTSEG-NSHDSACASA-N 312.236 3.020 10 10 DGCE CNCc1ccc(N2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)cc1 2014341655 BPBVHWYSFGKWIF-FPOVZHCZSA-N 321.468 3.117 10 10 DGCE Cc1cc(N2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)ccc1CN 2014348302 PSUKGASVWXXZLE-RXVVDRJESA-N 321.468 3.164 10 10 DGCE CCC[C@@H](COC)N(C)Cc1cccc(Br)c1O 2047299926 VWXAOPDBLVIMAG-LBPRGKRZSA-N 316.239 3.402 10 10 DGCE CC[C@@]12C[C@@H]1CN(c1ccc(CN)c(Br)c1F)C2 2048605296 KRPFTAXFMVEAJK-YGRLFVJLSA-N 313.214 3.283 10 10 DGCE C[C@H](O)c1ccc(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@@H]32)c(Br)c1 2053731593 XHJXOKOKMADWCO-WJYQBBMDSA-N 308.219 3.347 10 10 DGCE NCc1cc(F)c(N2CC[C@H]3CC[C@@H]3C2)cc1Br 2068256541 OZAACDSXSKVJQI-NXEZZACHSA-N 313.214 3.283 10 10 DGCE Cc1cccc(CNCc2c(O)cccc2Br)c1O 2139761098 FKCYJOFCHJZYSS-UHFFFAOYSA-N 322.202 3.459 10 10 DGCE CN[C@H](c1ccc2c(c1)CCCN2C)c1scnc1Cl 2164120486 COYDSGCPDFSSLN-CYBMUJFWSA-N 307.850 3.488 10 10 DGCE COc1ccc(CNCc2cnc(SC)s2)c(OC)c1 2208436454 OHTIJSBIPAATKB-UHFFFAOYSA-N 310.444 3.172 10 10 DGCE Cc1sc([C@H](NN)c2ccccc2O)cc1Br 2213765500 IIANTMRKFJAIRU-GFCCVEGCSA-N 313.220 3.077 10 10 DGCE CO[C@@H](CSc1ncc(CNCC(C)C)s1)C1CC1 2232230513 CECNHBHXSDPDLW-ZDUSSCGKSA-N 300.493 3.406 10 10 DGCE COC(=O)[C@](C)(NCCN=[N+]=[N-])c1cc(Cl)cc(Cl)c1 2237896123 OZTRBKHWBVKUDH-GFCCVEGCSA-N 317.176 3.282 10 10 DGCE Oc1cc(Cl)ccc1CN[C@H](C(F)F)C1CCOCC1 2239454479 IUIRBGCNPBZPRX-ZDUSSCGKSA-N 305.752 3.196 10 10 DGCE C[C@@H](NC[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C)c1cc(F)ccc1O 2296808293 OTYUOXGFWZZVHQ-SUNKGSAMSA-N 324.396 3.095 10 10 DGCE COc1ccccc1-c1noc(C=Cc2ccc(O)c(O)c2)n1 2308907991 OQFMBOVSRSGUQA-UHFFFAOYSA-N 310.309 3.327 10 10 DGCE Oc1cc(Br)ccc1CN[C@@H]1[C@@H]2[C@H]1CCC2(F)F 2309461283 DGVHQARAOKGSRC-USWWRNFRSA-N 318.161 3.288 10 10 DGCE COCCCCCN(C)c1ccc(CO)cc1Br 2319898549 DBZKXLQPARQYJQ-UHFFFAOYSA-N 316.239 3.194 10 10 DGCE Cc1ccc(CN(C)C(=O)[C@@H]2C[C@H]2C)c(O)c1Br 2327603801 SZJPQQUJZCLSHJ-MWLCHTKSSA-N 312.207 3.078 10 10 DGCE Cc1ccc(CNC[C@H]2CCCCO2)c(O)c1Br 2327613286 UFPSIMFRSXRMDH-GFCCVEGCSA-N 314.223 3.122 10 10 DGCE Oc1cccc(-c2nc3ccc(Br)cc3[nH]2)c1O 126584911 QKTDAAHWOXYCOH-UHFFFAOYSA-N 305.131 3.404 10 10 DGCE CN(C)c1ccc([C@@H](Cc2cc(F)ccc2Cl)NN)cc1 127123711 FUVIDAGHNAJOIW-MRXNPFEDSA-N 307.800 3.292 10 10 DGCE O=C(O)c1nc2c(O)cccn2c1/N=N\c1ccc(F)cc1 71602015 JYNANFGCJDYCJM-ZCXUNETKSA-N 300.249 3.293 10 10 DGCE COc1cc(N)c(N(C)[C@@H](C)Cc2cccs2)cc1OC 213776592 XPYMCLZJYBAENO-NSHDSACASA-N 306.431 3.415 10 10 DGCE CC(=O)c1ccc(O)c(CN2CCC[C@H](C(F)(F)F)C2)c1 88431991 WMDOMECYLMKWIW-ZDUSSCGKSA-N 301.308 3.369 10 10 DGCE CCN1C(=O)/C(=C/c2ccc3c(c2)CCCN3C)SC1=S 40113175 TWSSVZJAOCHRNO-UVTDQMKNSA-N 318.467 3.290 10 10 DGCE CCCNCc1ccc(OC)c(CSc2nccn2C)c1 81840289 CMRJIQMWVGQPGY-UHFFFAOYSA-N 305.447 3.221 10 10 DGCE O=C1NC(=S)S/C1=C\c1ccc(Br)c(F)c1 255054256 RUDBYMYXYGKSNB-YWEYNIOJSA-N 318.192 3.077 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCc3ccccc3[C@H]2CO)cc1 835029837 SXJHTZKMTOTFSC-YAQIIAKESA-N 322.452 3.358 10 10 DGCE CN(C)c1ccc(/C=C/CNCC[C@H]2C[C@H]3CC[C@H]2O3)cc1 839163707 JVTDDTSXDJSFIZ-SFGAXHGTSA-N 300.446 3.313 10 10 DGCE CN(C)c1ccc(/C=C/CNC[C@]2(O)CCc3ccccc32)cc1 835040123 ACCMQVLBQGCFKW-YAQIIAKESA-N 322.452 3.189 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc2sncc2c1 588581887 JKKWNFCYAYFQMS-KXFIGUGUSA-N 312.350 3.359 10 10 DGCE Oc1cc2c(cc1CN1CCC[C@H]1CN1CCCCC1)CCC2 738097874 UQKXZEPSZXWJRG-IBGZPJMESA-N 314.473 3.331 10 10 DGCE C[C@H](NC(=O)N1CCC[C@@](C)(F)C1)c1ccc(N(C)C)cc1 836405363 DLSOLFJEIDSZLZ-SUMWQHHRSA-N 307.413 3.347 10 10 DGCE CN1CCN(Cc2cc3c(cc2O)CCC3)[C@@H](c2ccccc2)C1 917462509 HNFINSLSCYDJNK-HXUWFJFHSA-N 322.452 3.370 10 10 DGCE Oc1ccc(F)cc1CNC[C@H]1CSc2ccccc2O1 843417776 KRPQCZCRHLKUJJ-ZDUSSCGKSA-N 305.374 3.174 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCC(c3ccncn3)CC2)cc1 840953194 IMXRMRRITDQPTC-ARJAWSKDSA-N 322.456 3.435 10 10 DGCE COC(=O)[C@H](CC(C)(C)C)NCc1cc(Cl)cc(F)c1O 843423383 MYQNRXLVEUPMGO-LBPRGKRZSA-N 317.788 3.252 10 10 DGCE CC[C@H](NCc1cnc(C(F)(F)F)nc1)c1ccccc1O 844313390 QWAASIIRJXIROV-LBPRGKRZSA-N 311.307 3.442 10 10 DGCE CN(C)c1ccc([C@H](N)CNCc2nccc3ccccc23)cc1 841042325 IANYFTLCCGKXIN-LJQANCHMSA-N 320.440 3.090 10 10 DGCE CCOc1ccc(O)c(CNCCC2CCC(OC)CC2)c1 757983996 FLRSYPQTQFGOIE-UHFFFAOYSA-N 307.434 3.476 10 10 DGCE COc1cc(F)c(F)cc1NC(=O)/C=C\c1ccc(O)c(O)c1 753082788 FHOXVILFQXRGLS-HYXAFXHYSA-N 321.279 3.037 10 10 DGCE C[C@H](Nc1nc(C2CCOCC2)ns1)c1ccccc1O 866236411 AWBVLENIUSGOMF-JTQLQIEISA-N 305.403 3.311 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1cc(C)ccc1F 935945636 FEQUHULYFGKCHS-UHFFFAOYSA-N 322.376 3.184 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)O[C@H]1CCCOC1 761342531 XQYGJHCAJAIYSS-ZDUSSCGKSA-N 305.399 3.491 10 10 DGCE CCOc1ccc(O)c(CN2CCC[C@]3(CCCOC3)C2)c1 769483267 HHPMGUIMRWZUOL-SFHVURJKSA-N 305.418 3.184 10 10 DGCE CCN(CC)c1ccc(CNc2cc(OC)n(C)n2)cc1F 775326324 DMYZKPQOFUNFPO-UHFFFAOYSA-N 306.385 3.026 10 10 DGCE CN(C)c1ccc(CNCc2ccnn2-c2ccccc2)cc1F 790469222 RWQFOYQMYYJLNK-UHFFFAOYSA-N 324.403 3.367 10 10 DGCE CCc1ccc2occ(C(=O)NCc3cccc(O)c3O)c2c1 1153798661 VAJOESBKTPLFGU-UHFFFAOYSA-N 311.337 3.336 10 10 DGCE CCN(C(=O)OC(C)(C)C)[C@@H]1CCCN(CCCN=[N+]=[N-])C1 1962286933 DNEHHXFOBIAHOU-CYBMUJFWSA-N 311.430 3.408 10 10 DGCE COc1ccc2c(c1)NC1(CCCCC1)CN2[C@@H](C)C(=O)O 76931073 RUVUDDRXHXXUQI-LBPRGKRZSA-N 304.390 3.103 10 10 DGCE O=[N+]([O-])c1ccccc1Cc1nccn1Cc1ccccc1O 82736584 CXCXKNFKXWNAMV-UHFFFAOYSA-N 309.325 3.136 10 10 DGCE Oc1c(CNc2cncc(Br)c2)ccc(F)c1F 703290007 GKFNXLJWLHYMLL-UHFFFAOYSA-N 315.117 3.440 10 10 DGCE CCC1(C(=O)NC[C@H](C)NCc2ccc(OC)c(C)c2)CCC1 1265810761 FRPZCAFKNJKNGU-HNNXBMFYSA-N 318.461 3.178 10 10 DGCE CCCNC(=O)Cn1c2c(c3cc(OC)ccc31)CCCC2 1290216275 COXBPYHYCCQVRB-UHFFFAOYSA-N 300.402 3.055 10 10 DGCE COc1cc(NCc2c(O)cccc2F)c([N+](=O)[O-])cc1OC 1458615554 FAKNXHWEZSOYDM-UHFFFAOYSA-N 322.292 3.069 10 10 DGCE CCCOc1ccnc(NCc2c(O)ccc3c2CCCC3)n1 1458209315 YVBBHIRVEROXGB-UHFFFAOYSA-N 313.401 3.462 10 10 DGCE Cc1cc(C)c2c(c1)N(C(=O)/C=C\c1cncc(O)c1)CCC2 1464793478 RIFAAFNKGSBMTQ-WAYWQWQTSA-N 308.381 3.397 10 10 DGCE C[C@@H](c1ccc(Cl)cc1O)N1CCO[C@@H](C(F)(F)F)C1 2203362612 OGUCMTJZOZGWNJ-QPUJVOFHSA-N 309.715 3.370 10 10 DGCE CCNc1ccc(Cl)cc1C(=O)NCc1ccc(O)cc1O 1557085287 HOSMVSIMBMKBCH-UHFFFAOYSA-N 320.776 3.113 10 10 DGCE CC1(C)C(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1(C)C 1635118053 ZLVCYJJOTIENSV-UHFFFAOYSA-N 302.378 3.261 10 10 DGCE CC(C)[C@H]1CCC[C@H](NC(=O)Cc2ccc(O)c(O)c2)CC1 1634581796 FKVPHUSFJSOLHP-GJZGRUSLSA-N 305.418 3.361 10 10 DGCE COc1ccccc1/C(C)=C\C(=O)N1Cc2cccc(O)c2C1 1643168969 LJWRCKQAEUNOLC-RAXLEYEMSA-N 309.365 3.347 10 10 DGCE C[C@H]1CN(c2ccc(C=CC(=O)O)c(Br)c2)[C@H]1C 1911854816 BVWPSZZSZPBVDW-UWVGGRQHSA-N 310.191 3.392 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)c2cscc2Br)C1 1912172375 DORJGAXAHHQTQQ-ZETCQYMHSA-N 315.196 3.283 10 10 DGCE C[C@@H](NC(=O)NCc1cccc(Cl)c1O)c1cccc(O)c1 1681319542 AFHDSLLFUDILOO-SNVBAGLBSA-N 320.776 3.312 10 10 DGCE O=C(NC/C=C\Cl)N(Cc1ccco1)Cc1ccccc1O 1684561337 NHMTWKIFJKGFHJ-YWEYNIOJSA-N 320.776 3.450 10 10 DGCE COCCNCc1ccc(N2CCSC(C)(C)C2)cc1C 158927687 OXHXHHWSXGISLL-UHFFFAOYSA-N 308.491 3.063 10 10 DGCE O=[N+]([O-])c1ccc(N=c2[nH]nc(-c3cccs3)s2)c(O)c1 1859857686 DYJNDGARTHPNFT-UHFFFAOYSA-N 320.355 3.046 10 10 DGCE CCCOc1ccccc1/C=C1\C(=O)N(C)N=C1C(F)(F)F 1865674518 JVKVRQFPKPSAGA-LUAWRHEFSA-N 312.291 3.249 10 10 DGCE C[C@H]1C[C@H](C)CN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])C1 13189997 CLCWWFLHNQYZKR-JZYUNNQISA-N 304.346 3.175 10 10 DGCE C[C@H](N)c1ccc(N2CC=CCC23COC3)cc1Br 2137014578 YXERCRURNSZSSD-NSHDSACASA-N 323.234 3.004 10 10 DGCE CCC[C@](C)(NC(=O)OC(C)(C)C)[C@H](N)c1ccccc1O 1928477538 WBCFNUUOENXLKC-PBHICJAKSA-N 308.422 3.476 10 10 DGCE C[C@H](NCC1(F)CN(C(=O)OC(C)(C)C)C1)c1ccccc1O 1937182767 QGIXRXNJWFWHFN-LBPRGKRZSA-N 324.396 3.002 10 10 DGCE C[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)[C@@H](CN)C1 235656853 KWBXBYVIKHMMGS-JOYOIKCWSA-N 303.233 3.258 10 10 DGCE CN1CCc2cc([C@@H](O)[C@@H](N)c3ccsc3Cl)ccc21 2147447214 SMSFWXNBSAQAOX-UONOGXRCSA-N 308.834 3.127 10 10 DGCE COc1ccc([C@H](CO)N=[N+]=[N-])cc1NC(=O)OC(C)(C)C 1951355697 GHLLHGPEQKDWQT-NSHDSACASA-N 308.338 3.386 10 10 DGCE OCc1ccc(N2CCCC[C@H]2CF)cc1Br 2004451160 KFRLNMARGCKJMV-LBPRGKRZSA-N 302.187 3.270 10 10 DGCE Cc1cccc(O)c1CNC[C@H]1CCCN1Cc1ccccc1 1976876861 GDFOPDZAJVDUQU-GOSISDBHSA-N 310.441 3.455 10 10 DGCE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccc(N)cc1 1977965421 ICFVDRUMUVGNSU-INIZCTEOSA-N 319.449 3.351 10 10 DGCE CC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)c1ccc2c(c1)CCN2C 1977959134 QLUZIHXAWINYHQ-HOCLYGCPSA-N 320.433 3.016 10 10 DGCE CN(CC[C@](C)(N)c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C 1980096389 DUCBCSPMGJXRNH-SFHVURJKSA-N 321.465 3.184 10 10 DGCE C[C@H]1CC(F)(F)CN1Cc1cc(Br)ccc1O 2004637854 KRCDMTXASSDUIS-QMMMGPOBSA-N 306.150 3.384 10 10 DGCE CN(C)CCN(Cc1ccccc1)c1ccc2c(c1)CC[C@H]2N 1986604065 HHSKZGXOIPZZSW-HXUWFJFHSA-N 309.457 3.201 10 10 DGCE CC[C@@](C)(COC)NCc1cc(Br)ccc1O 2014279606 WQHLBWBJMYJNBC-ZDUSSCGKSA-N 302.212 3.059 10 10 DGCE N[C@H](c1ccccc1O)c1c(F)cc(Br)cc1F 2029565098 XNIWVAXZYBAKFE-CYBMUJFWSA-N 314.129 3.481 10 10 DGCE CC(=O)c1cc(Cl)cc(CN(C)Cc2ccns2)c1O 404492149 VJPGTODWRYGOQF-UHFFFAOYSA-N 310.806 3.337 10 10 DGCE CN(c1ccc(CN)cc1Br)[C@@H]1CCCSC1 689588438 JHDXJAMGKBOGNM-LLVKDONJSA-N 315.280 3.240 10 10 DGCE Oc1cccc2c1[C@H](N[C@H]1[C@@H]3CN(Cc4ccccc4)C[C@@H]31)CC2 398405528 PVXDGAAVJMQWJY-IIMDRIAPSA-N 320.436 3.100 10 10 DGCE CCN[C@H](C)c1ccc(N2CC(OC(F)F)C2)cc1Cl 398905687 SUBIOHVGYQCSHN-SECBINFHSA-N 304.768 3.438 10 10 DGCE Cc1ccc([C@@H](C(C)C)n2nc(C(F)F)c(N)c2N)c(O)c1 2079061219 UTLJIBSLQALKKN-CYBMUJFWSA-N 310.348 3.245 10 10 DGCE CC1(C)C[C@H](Sc2nccs2)C[C@@](CO)(NC2CC2)C1 2183539414 SOYUVTODJIXHAZ-SWLSCSKDSA-N 312.504 3.297 10 10 DGCE CN[C@H](C)c1ccc(N(C)[C@@H]2CCOC[C@@H]2F)c(Cl)c1 2186746512 FMRCKRGYKYGALE-RIEGTJTDSA-N 300.805 3.184 10 10 DGCE CC[C@@H](COC(F)F)NCc1cccc(Br)c1O 2067269040 UHIBGGQLMMWCRX-VIFPVBQESA-N 324.165 3.262 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(S(=O)(=O)c2ccsc2Cl)CC1 2099339346 QOFDOGCMZUDEGY-MRVPVSSYSA-N 320.827 3.255 10 10 DGCE CN(Cc1cccc(Cl)c1O)C[C@@H](F)C1CCOCC1 2238365745 VLUHKPCXSNJIBH-CQSZACIVSA-N 301.789 3.242 10 10 DGCE CN[C@H](c1ccccc1O)c1ncc(Br)cc1C 2257513226 QEODLNSCYXHRTC-CQSZACIVSA-N 307.191 3.167 10 10 DGCE Cc1ccc(CNCc2ccc(O)c(O)c2)cc1Br 2278722450 YCGYDAXHWYGVPJ-UHFFFAOYSA-N 322.202 3.459 10 10 DGCE COCCN(CCOC)[C@H](C)c1cc(Cl)c(C)cc1O 2286485038 ITDRIJBRBPOJQD-GFCCVEGCSA-N 301.814 3.010 10 10 DGCE CCN(C(=O)C=Cc1cncc(C)c1)c1ccccc1C(=O)OC 2302382721 HUPDSPLFOLYUEI-UHFFFAOYSA-N 324.380 3.243 10 10 DGCE Cc1ccc(CN[C@H]2C[C@](C)(F)C2)c(O)c1Br 2307564702 CHCLMWQHWJXQNT-MJHDQNEOSA-N 302.187 3.443 10 10 DGCE COc1ccc(C2=NN[C@@H](c3ccc(Cl)cc3)C2)c(O)c1 8472973 SFFJXILVZJKTLU-CQSZACIVSA-N 302.761 3.493 10 10 DGCE CC1(C)OC(=O)C(=CNc2c(Cl)cccc2Cl)C(=O)O1 100429721 JIZDMHKLHWKOGY-UHFFFAOYSA-N 316.140 3.125 10 10 DGCE COc1ccc(O)c(CNC(=O)N[C@@H](C)c2ccccc2C)c1 114581649 VSIFJKMLGXXRKO-ZDUSSCGKSA-N 314.385 3.270 10 10 DGCE COc1ccc(OC)c(C2=C/C(=C\c3ccccn3)C(=O)O2)c1 33299766 USUNDICTRCEFJD-FMIVXFBMSA-N 309.321 3.080 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCCc2ccccc21 180588700 HTOFSFLZQXCOJH-PXUDHTSWSA-N 309.365 3.305 10 10 DGCE C[C@@H](c1ccccc1O)N(C)C(=O)c1ccc(N)c(Cl)c1 78889132 SSSNXBGDYQPTQX-JTQLQIEISA-N 304.777 3.461 10 10 DGCE CSc1ncc(CN[C@]2(C(=O)O)CC[C@@H](C)[C@@H](C)C2)s1 2371773116 JRWZOGFLMVCCRL-ISTVAULSSA-N 314.476 3.234 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 243388249 MKRRZTNMLXVBLL-WOOFSFRISA-N 317.429 3.217 10 10 DGCE C[C@H](O)C(C)(C)NCc1ccc(N(C)C)cc1C(F)(F)F 280165754 FWTJUZANGAUOSE-JTQLQIEISA-N 304.356 3.020 10 10 DGCE O=C(NCc1ccc(N2CCCC2)cc1)c1cc[nH]c1C1CC1 283995664 MJFBERLHCHEZSH-UHFFFAOYSA-N 309.413 3.422 10 10 DGCE Oc1cc(F)c(Cl)cc1CN1CC[C@@H](CN2CCCC2)C1 295436027 UDWAKAXUSWELQK-LBPRGKRZSA-N 312.816 3.102 10 10 DGCE COc1cc(O)c(CNC[C@@H]2C[C@H]2c2ccccc2)cc1OC 293525974 BJCZNNPCWMQMIB-HOCLYGCPSA-N 313.397 3.303 10 10 DGCE COc1ccc(N2CCC(N[C@@H](C)C(C)(C)OC)CC2)cc1 815573396 ITWQMBBERUTYBS-AWEZNQCLSA-N 306.450 3.067 10 10 DGCE CCC[C@H](C)[C@H](CO)NCc1cccc(Br)c1O 846017134 LJVPFQDTPUQZSJ-GWCFXTLKSA-N 316.239 3.041 10 10 DGCE COc1ccc(O)c([C@@H](C)NCc2c(C)cc(OC)nc2C)c1 845972486 QXUCAEUKXGBBGC-GFCCVEGCSA-N 316.401 3.272 10 10 DGCE CN(Cc1ccccc1O)C(=O)N[C@H](c1cccnc1)C1CC1 759685072 RWILASHUVMNFDW-KRWDZBQOSA-N 311.385 3.080 10 10 DGCE CCN(CC)c1ccc(CN[C@H](C)c2ccnnc2)cc1F 925016434 YUCHAROPNCLANT-CYBMUJFWSA-N 302.397 3.313 10 10 DGCE C[C@H]1COC[C@H](C)C1NCc1ccc(N2CCSCC2)cc1 924706292 GIMCRTMDAVCKKD-GJZGRUSLSA-N 320.502 3.000 10 10 DGCE CC(C)(C)C(F)(F)CNCc1ccc(N2CCOCC2)cc1 850409898 IVWKNSYILFPYTG-UHFFFAOYSA-N 312.404 3.294 10 10 DGCE C[C@@H](NC(=O)NCC(F)(F)C(C)(C)C)c1ccccc1O 868790096 ZBAUJOQDFWXPGP-SNVBAGLBSA-N 300.349 3.434 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)O[C@@H]1CCCOC1 761342528 XQYGJHCAJAIYSS-CYBMUJFWSA-N 305.399 3.491 10 10 DGCE C[C@H](NC(=O)N[C@@H]1c2ccccc2O[C@@H]1C)c1ccccc1O 868617169 ABRYQBFRDBEBNI-JKDFXYPNSA-N 312.369 3.275 10 10 DGCE Oc1c(F)cc(Cl)cc1CNCCc1cnc(C2CC2)nc1 776253299 LWCHQKHWZOZMNB-UHFFFAOYSA-N 321.783 3.184 10 10 DGCE C[C@@H](C(=O)NCCc1ccc(O)c(O)c1)c1ccc(Cl)cc1 1137464459 ARIWWVIFRIRDKU-LLVKDONJSA-N 319.788 3.214 10 10 DGCE Cc1cc(O)c(CN2C[C@H](C(F)(F)F)OC[C@@H]2C)cc1C 795694943 UVZWEHBFNRMBSA-SMDDNHRTSA-N 303.324 3.161 10 10 DGCE C[C@@H]1CCN(c2ccc(N)cc2)C[C@@H]1NC(=O)OC(C)(C)C 1959564698 GXJCNJTWKOTGOT-DOMZBBRYSA-N 305.422 3.008 10 10 DGCE C/C(=C/c1ccncc1)C(=O)NCc1cccc(Cl)c1O 1305084363 IMJWXKNDXQUAJN-LUAWRHEFSA-N 302.761 3.160 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1CCCCN=[N+]=[N-] 1962298745 HXEZAEVOYUAOLW-CHWSQXEVSA-N 311.430 3.407 10 10 DGCE C[C@H](NC(=O)N[C@H](C)c1cccc(O)c1)c1ccccc1O 1312486313 GRTLNBDOIVUHOP-NEPJUHHUSA-N 300.358 3.219 10 10 DGCE CC(C)(C)n1ccc(C(=O)Nc2c(Cl)ccc3nonc23)n1 1327064615 AJLHIPUTHVNEBC-UHFFFAOYSA-N 319.752 3.080 10 10 DGCE C[C@H](N)c1ccc(N2C[C@H]3[C@H](C2)C3(F)F)cc1Br 715487881 BVPBRSONGHRJRP-SWPVVBRQSA-N 317.177 3.170 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H]1Cc2ccccc2O1 1530833966 ZFMRRQHHXGFHEV-SFHVURJKSA-N 324.424 3.071 10 10 DGCE Cn1nc(C(F)(F)F)c(C=O)c1O[C@H]1CCCC[C@@H]1N=[N+]=[N-] 1615671851 HIZADSLWPIZMSH-IUCAKERBSA-N 317.271 3.252 10 10 DGCE CCO[C@H](C(=O)NCc1cccc(Cl)c1O)c1ccccc1 1648606543 SCROJXFURBTVQD-INIZCTEOSA-N 319.788 3.440 10 10 DGCE Cc1ccc(Cl)c2c1N(C(=O)/C=C/c1cn(C)cn1)CCC2 1596590687 VTIHAXWQVBAMKI-SOFGYWHQSA-N 315.804 3.375 10 10 DGCE CN(C)C1CCN(c2ccc(CNC3CC3)cc2Cl)CC1 163959165 CYICOCYYEIKOCV-UHFFFAOYSA-N 307.869 3.122 10 10 DGCE Oc1ccc(/N=N/N2CCN(c3ccccc3F)CC2)cc1 1860480763 UHOJFZYQYLZLET-VHEBQXMUSA-N 300.337 3.352 10 10 DGCE Cc1ccc(N2CCN(Cc3ccc(N(C)C)cc3)CC2)cc1 1203930490 VPPINWNBJDVLAI-UHFFFAOYSA-N 309.457 3.383 10 10 DGCE Cc1cc(N(Cc2ccccc2)[C@H]2CCOC2)ccc1CCN 1915503723 XIBVTEMXHYEKML-FQEVSTJZSA-N 310.441 3.292 10 10 DGCE C[C@H](N[C@H]1CCCC2(CC1)OCCO2)c1ccc(F)cc1O 1967520725 GSKDWUTWLHGLIJ-JSGCOSHPSA-N 309.381 3.258 10 10 DGCE CCC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](N)c1ccccc1O 1928475189 VFMJQZRMOSSQDS-SWLSCSKDSA-N 308.422 3.333 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@]2(CCN(CCCCN=[N+]=[N-])C2)C1 1982246643 XUEVHLGKTGZVPB-MRXNPFEDSA-N 323.441 3.410 10 10 DGCE CC(C)(C)OC(=O)NC[C@]12CCC[C@@H]1CN(CCCN=[N+]=[N-])C2 1982247255 FUKQUGUYECLJFJ-CJNGLKHVSA-N 323.441 3.314 10 10 DGCE CN(Cc1ccc(N)cc1)C(=O)c1ccc(Br)cc1 35360236 CRNNUKNAZSZBAW-UHFFFAOYSA-N 319.202 3.304 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](Oc2ccc(N)cc2)[C@@H]2CC[C@H]21 1992520812 YAUSIFFGQAHKSW-OAGGEKHMSA-N 318.417 3.436 10 10 DGCE CN(c1ccc(CN)c(C(F)(F)F)c1)C1CCSCC1 403613795 JZTDRYWPNAIQOB-UHFFFAOYSA-N 304.381 3.496 10 10 DGCE CC[C@H](C)N(CCO)c1ccc([C@@H](C)N)cc1Br 310632436 NYAHVBNAFSILHQ-WDEREUQCSA-N 315.255 3.066 10 10 DGCE CCC(F)(F)CN(C)c1ccc(CN)cc1Br 692359655 OATMIWRPNQITIF-UHFFFAOYSA-N 307.182 3.389 10 10 DGCE COC[C@@H]1CCCN1c1ccc([C@H](C)O)cc1Br 696592838 FNCOFKGGSSDGGR-JQWIXIFHSA-N 314.223 3.118 10 10 DGCE CC1(NCc2ccc(Br)cc2O)CC(F)(F)C1 720967996 URYWPNRREPENEX-UHFFFAOYSA-N 306.150 3.432 10 10 DGCE CCN(CCc1nccs1)c1cc(Cl)c(CN)cc1F 2177380039 BLMHDIVQNBATJJ-UHFFFAOYSA-N 313.829 3.463 10 10 DGCE Cc1c(C2CC2)nn(Cc2cccc(C(F)(F)F)c2O)c1N 2079742801 RTRGRHLAIVMGQL-UHFFFAOYSA-N 311.307 3.424 10 10 DGCE CN(Cc1cnc(C(F)(F)F)s1)c1ccc(CN)cc1 2196654348 FLYRGIBUCDYDGP-UHFFFAOYSA-N 301.337 3.257 10 10 DGCE NCc1cc(F)c(N2C[C@H]3CCC(F)(F)[C@H]3C2)cc1Cl 2190003249 UCPTWZNVAHVFGC-SCZZXKLOSA-N 304.743 3.419 10 10 DGCE CO[C@@H]1CC[C@@H](N(C)Cc2ccc(Br)cc2O)C1 2067114467 NIELFYBGDNIJEB-CHWSQXEVSA-N 314.223 3.154 10 10 DGCE CCN1CCc2cc(N(Cc3ccccc3)C[C@H](C)O)ccc21 2210800962 LIVVAAOTXIUZCQ-INIZCTEOSA-N 310.441 3.456 10 10 DGCE CS[C@@H](CNCc1cc(Br)ccc1O)C1CC1 2212997611 XKRCZGKTFKQPIY-ZDUSSCGKSA-N 316.264 3.386 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@H]1NC(=O)c1cc(Br)cs1 2213593987 ZTEWNRQPXQCAPP-SFYZADRCSA-N 315.196 3.472 10 10 DGCE COc1ccc(Br)c(CNC2[C@H]3CCC[C@H]23)c1O 2220463096 WISMMOSZNVMKDV-IUCAKERBSA-N 312.207 3.051 10 10 DGCE Oc1ccc(Cl)cc1CN1CC[C@H](OC(F)(F)CF)C1 2238816823 GJECUUHCBUKCIA-NSHDSACASA-N 309.715 3.199 10 10 DGCE CSc1ncc(CN[C@@H]2CCC[C@H]3CSC[C@@H]32)s1 2257098621 CVYYIAVRRBIFCZ-ZMLRMANQSA-N 300.518 3.486 10 10 DGCE C[C@H](c1cccc(O)c1)N(C)C(=O)C=Cc1ccc(O)c(O)c1 2308002351 WLSBKIGIRAUXJH-GFCCVEGCSA-N 313.353 3.036 10 10 DGCE Cc1ccc(CN(C)[C@@H](C)C[C@H](C)O)c(O)c1Br 2327791016 YFFMLVQCAVFHTF-QWRGUYRKSA-N 316.239 3.054 10 10 DGCE Cc1ccc(Cn2c(C)cc(=O)cc2C)c(O)c1Br 2352691598 GFTKTRBQWPDKFZ-UHFFFAOYSA-N 322.202 3.290 10 10 DGCE COc1cc(OC)c(N2[C@H]3CCC[C@H]2CC(N)C3)cc1Cl 108030500 LMDPGTFDHOSJIM-RYUDHWBXSA-N 310.825 3.206 10 10 DGCE COc1ccc(-c2noc(-c3sccc3O)n2)cc1OC 111687956 IGLOUWDLGNBJQL-UHFFFAOYSA-N 304.327 3.188 10 10 DGCE Cc1ccc(O)c(CNC[C@@H](C)CN(C)C(=O)OC(C)(C)C)c1 113341763 VSPCDPMRIXYZPJ-CQSZACIVSA-N 322.449 3.293 10 10 DGCE Cc1nc(C(=O)NCc2c(O)ccc3c2CCCC3)c(C)s1 179036791 LLLGLYQCSNJMHX-UHFFFAOYSA-N 316.426 3.274 10 10 DGCE CN[C@@H](C)c1ccc(N2CCN(Cc3ccccc3)CC2)cc1 302862376 HDSMAFWDKHNPAT-KRWDZBQOSA-N 309.457 3.289 10 10 DGCE CCCNC(=O)C1CCN(Cc2cc(Cl)cc(C)c2O)CC1 179662815 YYYQATGKJKPVFC-UHFFFAOYSA-N 324.852 3.092 10 10 DGCE Nc1ccc(OCCNC(=O)c2cc3sccc3s2)cc1 123214189 SIBOWZABQCHINQ-UHFFFAOYSA-N 318.423 3.354 10 10 DGCE CCCN(Cc1ccc(N)cc1)S(=O)(=O)c1ccc(C)s1 35364758 ARTQHZRLAWFYFQ-UHFFFAOYSA-N 324.471 3.240 10 10 DGCE COc1ccccc1-c1noc(/C=C/c2ccc(O)c(O)c2)n1 185185278 OQFMBOVSRSGUQA-VQHVLOKHSA-N 310.309 3.327 10 10 DGCE COc1cccc(CNC(=O)[C@H]2C[C@@H]2c2ccccc2C)c1O 77613928 VXIXWFZSDLDARW-CVEARBPZSA-N 311.381 3.129 10 10 DGCE C[C@H](N[C@H]1CCN(c2ncccc2Cl)C1)c1ccccc1O 183556327 QWGZGUNXKAUYGF-STQMWFEESA-N 317.820 3.370 10 10 DGCE CC[C@@H](CSC)N(C)c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-] 316966384 FJAISQMQOURRBI-WMADIVHISA-N 324.402 3.270 10 10 DGCE COc1ccc(N2CCOCC2)cc1NC(=O)C1CCCCC1 41365013 XZQVYPBAJFOHIG-UHFFFAOYSA-N 318.417 3.051 10 10 DGCE Cc1ccc(O)c(CN[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)c1 381387571 RBCTYOYQYPCEOV-OLZOCXBDSA-N 308.422 3.092 10 10 DGCE C[C@@H](c1ccccc1O)N(C)C(=O)c1cc(Cl)ccc1N 40332842 AHJFHTHSWFENDC-JTQLQIEISA-N 304.777 3.461 10 10 DGCE O=[N+]([O-])c1ccc(O)c(CN[C@@H]2CCCc3c(O)cccc32)c1 191657661 PZKRWKNSMSPENV-OAHLLOKOSA-N 314.341 3.173 10 10 DGCE Cc1ccc(O)c([C@@H](C)NC[C@H](CC(C)C)N2CCOCC2)c1 192744540 FVFNUJGNUJJNNS-SJORKVTESA-N 320.477 3.098 10 10 DGCE COc1cc(Cl)cc(CN[C@H]2C[C@H](O)c3ccccc32)c1O 827179387 WLPYBWTVORZCEQ-GJZGRUSLSA-N 319.788 3.322 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@H]2CCOC3(CCC3)C2)cc1 835043462 RDTRKMWPNFLIFQ-IVZVJUQRSA-N 300.446 3.457 10 10 DGCE C[C@H](NC[C@@H]1CCC[C@H]1O)c1cccc(C(F)(F)F)c1O 834907200 YLSPFBCGMAAMOA-OUJBWJOFSA-N 303.324 3.223 10 10 DGCE Oc1ccc(F)cc1CN[C@H]1CCN(c2ccc(F)cc2)C1 840978544 SEYHQHPYEBUISS-HNNXBMFYSA-N 304.340 3.039 10 10 DGCE CCN(CC)C[C@@H]1CCN(Cc2cc3c(cc2O)CCC3)C1 743387618 LLIOISBWRRHVOJ-HNNXBMFYSA-N 302.462 3.045 10 10 DGCE C[C@H](C[C@H]1CCOC1)NCc1cc(Br)ccc1O 759834849 ABIUPQXPLBBUQV-GHMZBOCLSA-N 314.223 3.059 10 10 DGCE COc1ccc(N2CC[C@H](N[C@@H]3CCC[C@@H]4C[C@]43C)C2)cc1 850486130 GHSWOGSFENYNIN-WTLGNFPFSA-N 300.446 3.442 10 10 DGCE C[C@@H]1COC[C@@H](C)C1NCc1ccc(N2CCSCC2)cc1 924706293 GIMCRTMDAVCKKD-HUUCEWRRSA-N 320.502 3.000 10 10 DGCE COC(CCN1CCCc2cc(OC(F)(F)F)ccc21)OC 851823153 FOQNBAAJYYXPHC-UHFFFAOYSA-N 319.323 3.347 10 10 DGCE Fc1cc(CNC[C@@H]2CCC[C@@H]3C[C@H]23)ccc1N1CCOCC1 850377718 JMTAFGMQKGUYJO-IKGGRYGDSA-N 318.436 3.188 10 10 DGCE COc1ccc(N(Cc2cccs2)C[C@H]2COCCO2)cc1 751030721 RDKNRXODTSXMMT-INIZCTEOSA-N 319.426 3.179 10 10 DGCE COC(=O)c1ccc(O)c([C@@H](C)N[C@H]2CC3CCC2CC3)c1 756845340 UBNCTLCQNSGEFS-OCLKLICZSA-N 303.402 3.408 10 10 DGCE CCn1c(/C(Cl)=C\c2cnnn2C)nc2cc(F)ccc21 751031546 JNCKXBAXOVHEPI-YRNVUSSQSA-N 305.744 3.061 10 10 DGCE C[C@H](N[C@@H]1CC[C@@H](C)NC1)c1cc(Cl)c(Cl)cc1O 863548552 ZVTBRCOWNHWGRE-KXUCPTDWSA-N 303.233 3.490 10 10 DGCE COc1ccc(N2CCC(N[C@H]3CC[C@@H]3SC)CC2)cc1 766600828 GVUSPJLGNWSBLD-IRXDYDNUSA-N 306.475 3.148 10 10 DGCE C/C=C/C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 862551699 XSTYHYYSCNQXEP-OOPCZODUSA-N 320.389 3.487 10 10 DGCE COC(=O)N1CCC[C@H]([C@@H](C)N[C@H](C)c2cc(C)ccc2O)C1 775580873 MZWOIHPGDKBKAJ-KFWWJZLASA-N 320.433 3.218 10 10 DGCE CCc1noc(C)c1NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 775693066 PXMVEACYOLGPDC-NSHDSACASA-N 316.405 3.494 10 10 DGCE C[C@H]1CN(Cc2ccc(Cl)cc2O)C[C@](C)(C(F)F)O1 1560938363 CLYPNVZPGQAPQU-LKFCYVNXSA-N 305.752 3.290 10 10 DGCE Cc1cccc2ncc(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)n12 1138363732 RCZWDICWQMYSLM-AWEZNQCLSA-N 322.412 3.200 10 10 DGCE Cc1cc(C)c(O)c(CN2C[C@H](C(F)(F)F)OC[C@@H]2C)c1 795689837 GOTXJUATXSPTBY-WCQYABFASA-N 303.324 3.161 10 10 DGCE CCOc1ccc(O)c(CNC[C@H](CO)CC2CCCC2)c1 798503226 DAMFOKLUFFAJNL-OAHLLOKOSA-N 307.434 3.069 10 10 DGCE COc1cccc(CNC(=O)[C@@H]2[C@@H](C)[C@H]2c2ccccc2)c1O 797744852 UCKHBWKEUNATNY-AFAVFJNCSA-N 311.381 3.067 10 10 DGCE COc1cccc(O)c1CNCCCOCc1ccccc1 1958763966 KUXGXLIGJQGYMR-UHFFFAOYSA-N 301.386 3.097 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@H]2Nc1ccccc1N 1959362827 HSOHWPVSQVTCEG-TYNCELHUSA-N 303.406 3.079 10 10 DGCE COc1cc(Cl)cc(C(=O)NCc2c(O)cccc2F)c1 1156170548 PJGSQWMYKFODPA-UHFFFAOYSA-N 309.724 3.123 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CCCN(c2ccc(N)cc2)CC1 1959563803 BXFJITDPOQEDGS-AWEZNQCLSA-N 305.422 3.152 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H]2CCN(CCCN=[N+]=[N-])C[C@@H]21 1899965634 IXNPYCMOVICEQN-KBPBESRZSA-N 323.441 3.408 10 10 DGCE COC[C@@H]1CCCN1c1ccc([C@@H](C)N)cc1Br 696544526 GXEHLEIFOJLWEE-PWSUYJOCSA-N 313.239 3.084 10 10 DGCE C[C@@H](NCc1cccc(Br)c1O)c1cscn1 697936652 SWGXECUOKXCIPB-MRVPVSSYSA-N 313.220 3.462 10 10 DGCE CCO[C@H]1C[C@@H](NC(=O)c2ccc(C)c(O)c2O)C1(CC)CC 1566143195 OWFJDDFCKKUODT-KGLIPLIRSA-N 321.417 3.120 10 10 DGCE CCCN(Cc1ccccc1O)C[C@@](O)(CC)C(F)(F)F 1653476045 NNHMNQAFZUQPQZ-AWEZNQCLSA-N 305.340 3.308 10 10 DGCE CCCOc1ccnc(N[C@@H](C)c2cc(OC)ccc2O)n1 1655106844 GFCMAJVYBCLYBG-NSHDSACASA-N 303.362 3.153 10 10 DGCE [N-]=[N+]=NCCCN[C@@H](C(=O)O)c1c(F)ccc(Cl)c1F 1912182252 ZGUYWJKJBOHIQP-SNVBAGLBSA-N 304.684 3.034 10 10 DGCE CCc1cnc2[nH]cnc(NCc3ccc(N4CC=CC4)cc3)c1-2 1655173843 PENLPZUUXBGWRB-UHFFFAOYSA-N 319.412 3.460 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1cc(C2CC2)[nH]n1 1597737574 ZYYIQKWJTGKOAI-UHFFFAOYSA-N 307.353 3.076 10 10 DGCE CSc1ccc(C(=O)Nc2ccc(N)cc2)cc1[N+](=O)[O-] 160411837 DKEWHMLEMGBBPC-UHFFFAOYSA-N 303.343 3.151 10 10 DGCE CN1CCC[C@@H](N(C)c2ccc(CNC3CC3)cc2Cl)C1 164051707 DVHDHGQLPFNUEV-OAHLLOKOSA-N 307.869 3.122 10 10 DGCE COc1ccc(N(C[C@@H](O)COC(C)C)[C@@H](C)C2CC2)cc1 153882092 IJXOIFUAJKVGET-WMLDXEAASA-N 307.434 3.086 10 10 DGCE CO[C@@H](CN[C@@H](C)c1ccc(N2CCOCC2)cc1)C(C)(C)C 154899555 DYFCUANYZCPVPX-YJBOKZPZSA-N 320.477 3.235 10 10 DGCE CC(C)c1ccc(/C=C2/SC(=S)N(C[C@H](C)O)C2=O)cc1 1858586625 CYAKJJQENCKUOB-KYJZABPNSA-N 321.467 3.392 10 10 DGCE COC(=O)C1CCN(/N=N/c2ccc(N3CCCC3)cc2)CC1 1860485802 YTPDYDWXYKLWQP-VHEBQXMUSA-N 316.405 3.171 10 10 DGCE Cc1scc(C(=O)NCCCN=[N+]=[N-])c1Br 1902876457 MYSYTMRCZVIYIQ-UHFFFAOYSA-N 303.185 3.249 10 10 DGCE C[C@@H](O)CN(Cc1ccccc1)c1ccc(CO)c(Cl)c1 1914610068 QQHWAXSGWIXNPM-CYBMUJFWSA-N 305.805 3.220 10 10 DGCE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNCc1ccccc1O 1937860425 WZNUHBHRCJXVQG-DZGCQCFKSA-N 320.433 3.127 10 10 DGCE CN(Cc1ccncc1F)c1ccc(CN)cc1Br 2138226022 BXAVVWPDOOONPY-UHFFFAOYSA-N 324.197 3.078 10 10 DGCE CC[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1[C@@H](N)c1ccccc1O 1938454880 AASZQBOWKKJRIC-KCXAZCMYSA-N 320.433 3.428 10 10 DGCE COc1cc(NC(=O)OC(C)(C)C)cc([C@@H](CO)N=[N+]=[N-])c1 1951378549 YVSWYMQDACFJBI-GFCCVEGCSA-N 308.338 3.386 10 10 DGCE Oc1cc(Br)ccc1CNC[C@H]1C[C@H]1C(F)F 1997383773 RFIMGAQCBMYBJW-PSASIEDQSA-N 306.150 3.146 10 10 DGCE NCc1cc(F)c(N(CC2CC2)C2CC2)cc1Br 310642606 UKQGLDXJMIPOEL-UHFFFAOYSA-N 313.214 3.426 10 10 DGCE C[C@H]1CCCC[C@@H]1S(=O)(=O)Nc1ccc(O)c(Cl)c1 407404099 FQTDYQREXHHYIM-ZANVPECISA-N 303.811 3.366 10 10 DGCE COc1ccc(N(C)Cc2cncc(Br)c2)c(N)c1 703059822 XXLFDVMGIFECDY-UHFFFAOYSA-N 322.206 3.071 10 10 DGCE C=COCCCNCc1cc(Cl)cc(Br)c1O 708056638 NYOPUYUEJNOSRZ-UHFFFAOYSA-N 320.614 3.448 10 10 DGCE CN=c1[nH]c(NCCc2ccc(N)cc2)c(Cl)cc1Cl 2174022386 XSQOYLVXLINSLU-UHFFFAOYSA-N 311.216 3.089 10 10 DGCE Nc1ccc(CCOCc2ccc(Br)cn2)cc1 2056190064 UFLFDASQQKQDRF-UHFFFAOYSA-N 307.191 3.186 10 10 DGCE CNCc1ccc(N2C[C@@H](F)C[C@@H](F)C2)c(Br)c1 2062395721 CAVQXNKFLZFNIC-PHIMTYICSA-N 319.193 3.055 10 10 DGCE CCN[C@@]1(CO)C[C@H](Sc2nccs2)CCC1(C)C 2099188762 LTJFYZGMYOMKMV-BXUZGUMPSA-N 300.493 3.155 10 10 DGCE CN[C@@H](C)c1ccc2c(c1)CCN2C[C@]1(Cl)CC1(F)F 2205570825 RQBPZOAILNMITM-IINYFYTJSA-N 300.780 3.346 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@@H]1NC(=O)C(C(F)(F)F)C(F)(F)F 2234165653 FPCPLPQGRHTFDD-WHFBIAKZSA-N 304.194 3.075 10 10 DGCE Cc1cc(Br)cnc1C(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-] 2269656253 HMLZTZOSJKUPCI-NXEZZACHSA-N 324.182 3.114 10 10 DGCE COc1cccc(C=C2C(=O)N(c3ccccc3)N=C2C)c1O 2297311055 GCWMEIGAYZAGAU-UHFFFAOYSA-N 308.337 3.207 10 10 DGCE CCc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2O)s1 867834603 ROPVUPWGXRZFEY-JTQLQIEISA-N 311.428 3.056 10 10 DGCE Cc1ccc(CNC(=O)[C@]2(C)C[C@H]2C)c(O)c1Br 2327590808 BXCFTOJHONTOIO-YMTOWFKASA-N 312.207 3.125 10 10 DGCE CCO[C@H]1C[C@H](NCc2ccc(C)c(Br)c2O)C1 2327793092 RUIFFRSQGOZKNY-HAQNSBGRSA-N 314.223 3.120 10 10 DGCE CC(=O)c1cc(F)cc(CN(C)Cc2csc(C)n2)c1O 50142899 CUMRMXHGGOHXHF-UHFFFAOYSA-N 308.378 3.131 10 10 DGCE CCOc1ccc(N2CC[C@H](CNCc3ccncc3)C2)cc1 76364898 NQYQCXROUBSAIX-QGZVFWFLSA-N 311.429 3.096 10 10 DGCE Nc1ccc(-n2nccc2NC(=O)c2sccc2Cl)cc1 158994272 DHXJXNPTHITHKS-UHFFFAOYSA-N 318.789 3.422 10 10 DGCE Cc1ccc(C(=O)N2CCCC[C@@H]2c2nccs2)c(O)c1O 179523587 MXBXQOSMCGMVHS-GFCCVEGCSA-N 318.398 3.230 10 10 DGCE Oc1ccccc1CN1CCCC[C@H]1c1nnc2n1CCCC2 179567648 VNDNCVIIYKVEDM-HNNXBMFYSA-N 312.417 3.047 10 10 DGCE Cc1ccc(O)c([C@@H](C)N[C@@H]2CCc3nnc(C(C)C)n3C2)c1 186293229 IKJLFOCEMRCMGM-ZIAGYGMSSA-N 314.433 3.081 10 10 DGCE C[C@@H]1CCCN([C@H](C)CN[C@H](C)c2ccc(F)c(F)c2O)C1 248924972 LJPUBNQJFQUGFA-JHJVBQTASA-N 312.404 3.441 10 10 DGCE CC(C)[C@H]1C[C@@H]1C(=O)NCc1cccc(Br)c1O 277584486 RUICBIMWMRPJMD-MNOVXSKESA-N 312.207 3.063 10 10 DGCE Cc1cc(Br)cc(CN[C@H]2CCOC2(C)C)c1O 294734766 GPBIJHYJRNGPNV-LBPRGKRZSA-N 314.223 3.120 10 10 DGCE CCC[C@H]1COC[C@@H]1NCc1cccc(Br)c1O 699558350 QZGRURWOHADUMT-AAEUAGOBSA-N 314.223 3.059 10 10 DGCE CN(Cc1ccsn1)c1ccc(CO)c(Br)c1 705688329 REAQLAKWZFPRNW-UHFFFAOYSA-N 313.220 3.034 10 10 DGCE CCC[C@H]1COC[C@H]1NCc1cc(Br)ccc1O 710999083 MGOULCXZKQLZSI-GXFFZTMASA-N 314.223 3.059 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@H]1C[C@H]2CCCN(C1)C2 717061516 NCXCRNQOWWQION-MFKMUULPSA-N 315.244 3.273 10 10 DGCE CC[C@H]1C(=O)N([C@H](C)c2ccc(N(C)C)cc2)C(=O)N1C1CC1 761576172 ASKWYIIUQCXKMA-WBMJQRKESA-N 315.417 3.019 10 10 DGCE CC[C@H]1CN(Cc2cc(C)cc(C)c2O)CCN1CC(F)F 765719741 YXPPCSAGYJCIKR-HNNXBMFYSA-N 312.404 3.170 10 10 DGCE CCOC(=O)c1ccc(CN2CCc3cc(OC)ccc32)o1 768131227 XQSIJJBGOBNERK-UHFFFAOYSA-N 301.342 3.028 10 10 DGCE C[C@@H](NCc1cn2cccc(F)c2n1)c1ccc(N(C)C)cc1 775361693 DNNRUVVCEFUSJF-CYBMUJFWSA-N 312.392 3.390 10 10 DGCE CCCN(CCC)c1ccc(CNCc2ncnn2CC)cc1 793345943 KGLSSRYXHWFQDS-UHFFFAOYSA-N 315.465 3.214 10 10 DGCE C[C@@H]1CN(C/C=C\c2ccc(N(C)C)cc2)CCN(C2CC2)C1 835055550 WATDATCUXOHLKZ-VGOKWCNXSA-N 313.489 3.182 10 10 DGCE CC(C)c1nnc2c(NCc3cc(Cl)ccc3O)nccn12 845709288 QIFIADPWHNSAJD-UHFFFAOYSA-N 317.780 3.219 10 10 DGCE C[C@H](N[C@H](C)c1nccn1C)c1cc(Br)ccc1O 850573365 YNMBIXGAZCLJCU-VHSXEESVSA-N 324.222 3.300 10 10 DGCE COc1ccc(N2CC[C@@H](Nc3nc4ccccc4n3C)C2)cc1 853758859 LKJGRHJOXLUAEX-CQSZACIVSA-N 322.412 3.273 10 10 DGCE COc1ccc(N2CC[C@H](CNC(=O)[C@H]3CCC3(C)C)C2)cc1 854980748 GLUCSWDBFSUIRS-RHSMWYFYSA-N 316.445 3.074 10 10 DGCE CCC1(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CCCC1 855233939 PPNUYNFFRNWAQD-OAHLLOKOSA-N 316.445 3.361 10 10 DGCE CO[C@H]1C[C@@H](CN[C@@H](C)c2ccc(Br)cc2O)C1 858592625 HDHNMDNSCALXNG-JBLDHEPKSA-N 314.223 3.230 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2C[C@H](C)[C@H]2C)cc1 861836284 FKUUGJKUECSECB-DZGCQCFKSA-N 324.424 3.316 10 10 DGCE CC1=NN(c2ccc(C(=O)N3Cc4cccc(O)c4C3)cc2)CC1 871199312 WDHDVNHPULREKU-UHFFFAOYSA-N 321.380 3.134 10 10 DGCE Oc1ccc(Br)cc1CN[C@@H]1CCc2cccnc21 894755639 VMXIFMHFEBEGBA-CYBMUJFWSA-N 319.202 3.327 10 10 DGCE COc1cc(C)cc(CN2CCC(=O)Nc3ccccc32)c1O 894786590 KYJNOTJQPWBMJI-UHFFFAOYSA-N 312.369 3.058 10 10 DGCE Cc1cc(C)c([C@H](C)NC[C@H]2CCC3(CCOCC3)O2)c(O)c1 927012069 FLZHCKHKXYEKCA-JKSUJKDBSA-N 319.445 3.388 10 10 DGCE O=C(NCc1ccc(O)cc1O)c1coc2ccc(Cl)cc12 1142533836 SQBJJXVPCWCJPA-UHFFFAOYSA-N 317.728 3.427 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)c1nccc(Cl)c1F 1165497642 HLEQELHDBDYYJW-UHFFFAOYSA-N 315.131 3.163 10 10 DGCE O=C(NCc1c(O)cccc1F)c1cc([N+](=O)[O-])ccc1Cl 1303877340 AYZYEBKYULPWIP-UHFFFAOYSA-N 324.695 3.023 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)CC2(C(F)(F)F)CC2)c1 1324315312 CCTYIBHIQJRUBQ-SECBINFHSA-N 317.307 3.311 10 10 DGCE CCO[C@@H](CC)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1356256100 OFSDHCDIYOFGMC-KRWDZBQOSA-N 304.434 3.060 10 10 DGCE C[C@@H](N[C@H](C)c1ccccc1O)C(=O)c1c[nH]c2ncccc12 1460636478 JHYMFZXPVSFJBN-VXGBXAGGSA-N 309.369 3.191 10 10 DGCE CCCC(=O)N[C@H]1CC[C@H](CNCc2ccc(OC)c(C)c2)C1 1486189984 FOTIVJGYBFMZGV-IRXDYDNUSA-N 318.461 3.178 10 10 DGCE COc1ccc(Cl)cc1N(C)C(=O)/C=C(\C)c1cnccn1 1530894642 ZULNZGMAHWPIIV-DHZHZOJOSA-N 317.776 3.205 10 10 DGCE C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1N)c1ccccc1O 1557968368 IBACXVCSTCYTIY-VIFPVBQESA-N 324.302 3.484 10 10 DGCE Oc1cc(Cl)ccc1CNC[C@@H]1CC[C@H](C(F)(F)F)O1 1561004717 TVGVLFHVZISORR-CMPLNLGQSA-N 309.715 3.245 10 10 DGCE COc1cccc(CNC(=O)c2ccsc2C(F)F)c1O 1566374732 SBWHJBFWNYWEGD-UHFFFAOYSA-N 313.325 3.330 10 10 DGCE C[C@@H]1CCC[C@@H](C)N1NC(=O)c1cc2cc(O)c(O)cc2s1 1623801186 TWSIMXUMFCZCAM-NXEZZACHSA-N 320.414 3.220 10 10 DGCE O=C(/C=C/c1ccsc1)NCc1ccc2cccnc2c1O 1627072663 DCMLIFMBSLBSPI-ZZXKWVIFSA-N 310.378 3.332 10 10 DGCE CCCC[C@@H](O)CCC(=O)NCc1c(O)ccc2c1CCCC2 1631439025 SIXJAHBPSNJWCW-OAHLLOKOSA-N 319.445 3.219 10 10 DGCE C[C@@H](NC(=O)NCc1cc(F)cnc1Cl)c1ccccc1O 1635579002 GNCMORVLCYZWQF-SECBINFHSA-N 323.755 3.140 10 10 DGCE CC[C@@H](C)Oc1ccc(C(=O)NCc2cc(O)ccc2O)cc1 1643882208 QMNLDWJEKNRPOY-GFCCVEGCSA-N 315.369 3.205 10 10 DGCE COc1cc(NN=NCCCN(C)C)c(OC)cc1Cl 1860491894 XNFFNUHHDCQQSQ-UHFFFAOYSA-N 300.790 3.088 10 10 DGCE CCCC[C@@H](N)C(=O)Nc1ccc(Cc2ccc(N)cc2)cc1 1866019379 IMBBRXPVBGDRAX-GOSISDBHSA-N 311.429 3.316 10 10 DGCE CC1CC(NC(=O)OC(C)(C)C)([C@H](N)c2ccccc2O)C1 1930699496 XJZVUMJSYMWLAV-CHHLVHLRSA-N 306.406 3.085 10 10 DGCE CCN[C@H](CN(C(=O)OC(C)(C)C)C1CC1)c1ccccc1O 1936969681 DMTYTPKQQZOPIE-OAHLLOKOSA-N 320.433 3.442 10 10 DGCE COc1ccc(Br)c(CNC2CC(C)(F)C2)c1O 1964062343 WUPKXYKTIWDQOX-UHFFFAOYSA-N 318.186 3.144 10 10 DGCE C[C@H]1CC[C@H](C(=O)O)N(Cc2cc(Cl)cc(Cl)c2O)C1 1964726630 NROWTQHXZQTVDM-QPUJVOFHSA-N 318.200 3.384 10 10 DGCE C[C@H](O)c1ccc(N2CC(C)(CF)C2)c(Br)c1 2008691115 AXMORPSHAMMASW-VIFPVBQESA-N 302.187 3.298 10 10 DGCE C[C@H]1CN(Cc2ccccc2)CCN1c1ccc2c(c1)CC[C@@H]2N 2012711002 WXZKZZQSEHHRTE-KKSFZXQISA-N 321.468 3.343 10 10 DGCE C[C@@H]1C[C@H](N(C)c2ccc(CN)c(Br)c2)CS1 2015477627 BXPNSBGBUSEYGJ-SKDRFNHKSA-N 315.280 3.238 10 10 DGCE CCCN(CCN)[C@@H](CC)c1cc(Br)ccc1O 2030268202 HAKIPZWIELRITA-ZDUSSCGKSA-N 315.255 3.277 10 10 DGCE OCc1ccc(N2CC[C@H]3[C@H](C2)C3(F)F)c(Br)c1 2034634392 DHCYUMYZXQGNMS-UWVGGRQHSA-N 318.161 3.033 10 10 DGCE CC(C)Cc1cc(N)n(Cc2cc(Br)ccc2O)n1 2070165906 WFZARXMCJYKMFE-UHFFFAOYSA-N 324.222 3.180 10 10 DGCE CCc1c(C(C)(C)C)nn(Cc2cc(OC)ccc2O)c1N 2079823909 MHGSUZWCLBDILR-UHFFFAOYSA-N 303.406 3.088 10 10 DGCE NCCc1cc(N2CCc3ccc(Br)cc32)ccn1 2140753694 YMFABPCTKPCQEN-UHFFFAOYSA-N 318.218 3.040 10 10 DGCE C[C@H](N)c1ccc(N(C)Cc2cnn(C)c2Cl)cc1Cl 2166115707 VJVMAQOQNVDGQR-VIFPVBQESA-N 313.232 3.383 10 10 DGCE COc1ccc(Br)c(CNCC2[C@H](C)[C@H]2C)c1O 2220462394 KWIRYLXDNDIOGR-RKDXNWHRSA-N 314.223 3.155 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)C(C(F)(F)F)C(F)(F)F 2234165651 FPCPLPQGRHTFDD-RFZPGFLSSA-N 304.194 3.075 10 10 DGCE CSc1ncc(CNCc2ccc(C3OCCO3)cc2)s1 2257096476 JLSVTVKPYZRLBY-UHFFFAOYSA-N 322.455 3.200 10 10 DGCE OCc1ccc(N2C[C@@H]3[C@H]4CC[C@H](C4)[C@H]3C2)cc1Br 2264957221 YHWRJNXMHMXTQH-BAESOJJISA-N 322.246 3.424 10 10 DGCE Cc1cccc([C@H](C)CNC(=O)C=Cc2ccc(O)c(O)c2)c1 2308001596 WNGGNDWYJLGINM-CQSZACIVSA-N 311.381 3.339 10 10 DGCE Cc1cc(O)ccc1N=Nc1c(CC(=O)O)nc2ccccn12 2320767778 NLZGMCMESINILA-UHFFFAOYSA-N 310.313 3.391 10 10 DGCE CCCOc1ccc(C=C2C(=O)N(C)N=C2CC)cc1OCC 2332113798 KZMRHZLJPKGDOZ-UHFFFAOYSA-N 316.401 3.496 10 10 DGCE Cc1ccc(CN2C(=O)[C@@H]3CCC[C@@]32C)c(O)c1Br 2352659679 BCJZEOCPVMCNMB-NHYWBVRUSA-N 324.218 3.364 10 10 DGCE Oc1ccc(CCNc2ncnc3c2oc2ccccc23)cc1O 6941807 KOWVDVUYXQTOJQ-UHFFFAOYSA-N 321.336 3.442 10 10 DGCE COc1ccc(/C(C)=C/C(=O)N(C)Cc2ccccc2O)cc1 175239424 QWBUXPRJPTUKIF-WYMLVPIESA-N 311.381 3.463 10 10 DGCE O=Cc1cc(I)cc2c(O)csc12 306884128 LIPJNWHOGCPLJI-UHFFFAOYSA-N 304.108 3.024 10 10 DGCE CCc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1cc(Cl)ccc1O 185682348 SRFNPYJEFYZOGE-GXFFZTMASA-N 320.824 3.385 10 10 DGCE O=C1NC(=S)S/C1=C\c1cccc(OCC(F)(F)F)c1 128006182 JSJMWNRMRPSQHG-UITAMQMPSA-N 319.329 3.117 10 10 DGCE Nc1ccc(CCNCc2cc(Br)cs2)cc1 71309852 RNGUVIPLUXOODW-UHFFFAOYSA-N 311.248 3.425 10 10 DGCE CNCc1ccc(OC)c(C[S@](=O)c2ccccc2Cl)c1 82001985 VPZBAPQIMYOBSW-OAQYLSRUSA-N 323.845 3.376 10 10 DGCE C[C@H](N[C@H]1CCC[C@H]1CCO)c1cc2c(cc1O)CCCC2 250051608 MAUXOPCQMKRLOT-DEYYWGMASA-N 303.446 3.473 10 10 DGCE CN1CCCc2cc([C@@H](NN)c3cscc3Cl)ccc21 2163095276 BKDLRQABIZJSMN-OAHLLOKOSA-N 307.850 3.337 10 10 DGCE Cc1ccncc1/C=C\C(=O)N1CCc2c(F)ccc(F)c21 817827084 IGAYIKOMWMUIDA-DJWKRKHSSA-N 300.308 3.271 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 739021948 XYSBCAPUEPPKRX-GRDNDAEWSA-N 301.434 3.049 10 10 DGCE CC[C@H](NCc1cc(Cl)cc(OC)c1O)[C@@H]1CCCCO1 848928015 UETBHCFYEKCMMF-KBPBESRZSA-N 313.825 3.492 10 10 DGCE O=C(NC1(C2CCC2)CC1)c1cc2cc(O)c(O)cc2s1 911896822 IETZEIQTXODDQS-UHFFFAOYSA-N 303.383 3.375 10 10 DGCE C[C@@H](N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)C(C)(C)C 844743796 ZPWNDAOSQBMBPR-SNVBAGLBSA-N 324.808 3.244 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CCCC1(F)F 845197919 RYDPRPFMILVRMV-LLVKDONJSA-N 304.724 3.033 10 10 DGCE Oc1ccc(Cl)c(F)c1CN[C@H](c1ncccn1)C1CC1 922578037 GPSPZUYWZHPVNJ-AWEZNQCLSA-N 307.756 3.216 10 10 DGCE C[C@@H](NC[C@@H]1CC[C@H](N)C1)c1ccc(N2CCCCC2)cc1 925876533 AQFDVHIAQUHGKE-NUJGCVRESA-N 301.478 3.455 10 10 DGCE CCO[C@H]1C[C@H](N[C@H](C)c2ccc(Br)cc2O)C1 850515349 WVCQRBCFIJDZJX-YUSALJHKSA-N 314.223 3.373 10 10 DGCE C[C@@H](NC[C@@H]1CC[C@H](N)C1)c1ccc(Cl)c(Cl)c1O 925882489 NEOQZUKYXKXRIM-BBBLOLIVSA-N 303.233 3.477 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]2[C@H]1[C@H](N)c1ccccc1O 1894350208 DKCDSSQKOBAIDY-RKLWJJNISA-N 318.417 3.038 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)C[C@@H]3CCC[C@@H]3C)C2)cc1 855223663 CETABBIFVBFHIE-JYJNAYRXSA-N 316.445 3.216 10 10 DGCE CN1CCCc2cc(CNC(=O)NCC3(C)CCC3)ccc21 752025588 YHDUURKQUQBBAG-UHFFFAOYSA-N 301.434 3.058 10 10 DGCE C[C@@H](CCc1cccn1C)NC(=O)N[C@@H](C)c1ccccc1O 868317400 IFLRBIRXDOPKQI-KBPBESRZSA-N 315.417 3.112 10 10 DGCE Cc1cc(N(C)C)ccc1CNC[C@H]1CCN1C1CCCC1 862522837 IVQRLKZJBZAJFZ-LJQANCHMSA-N 301.478 3.168 10 10 DGCE Cc1cc(Br)c(O)c(CN[C@@H](C)c2ccnn2C)c1 865839431 VZSXZPLKUJUKOT-JTQLQIEISA-N 324.222 3.047 10 10 DGCE CC[C@@H](NCCOCCCN)c1ccc(Cl)c(Cl)c1O 863548069 UPDQRQGZTVMQSY-GFCCVEGCSA-N 321.248 3.105 10 10 DGCE Cc1ccc(O)c([C@H]2[C@H](N)CCCN2C(=O)OC(C)(C)C)c1 1952603847 ZYKQXOFZBZOAEW-HIFRSBDPSA-N 306.406 3.100 10 10 DGCE Cc1ccc(OCCC(=O)N2Cc3cccc(O)c3C2)cc1C 871199284 VBRANYQOUCOQKB-UHFFFAOYSA-N 311.381 3.320 10 10 DGCE Cc1cc(Cl)cc(CNC[C@H]2CCCCN2C2CC2)c1O 775156788 HMJGIPUUEYAXJU-MRXNPFEDSA-N 308.853 3.461 10 10 DGCE COc1cc(O)c(CN2CC[C@@]3(CC[C@H](C)C3)C2)cc1OC 781585831 IRBAAXNLECOQIY-SCLBCKFNSA-N 305.418 3.422 10 10 DGCE Oc1ccc(-c2ccccc2)cc1CN1C[C@@H](O)CC(F)(F)C1 787438850 XDATUTHWBSFJOU-INIZCTEOSA-N 319.351 3.261 10 10 DGCE Oc1ccc(CNCc2cc(Br)cs2)cc1O 70212826 KJHGOTCKRULBJG-UHFFFAOYSA-N 314.204 3.212 10 10 DGCE O=[N+]([O-])c1cccc(Cc2nccn2Cc2ccccc2O)c1 82736573 FYFLHLQUFJABGJ-UHFFFAOYSA-N 309.325 3.136 10 10 DGCE COc1ccc(CN[C@@H](C)CN(C)C(=O)OC(C)(C)C)cc1C 701925666 WLPQNEJQCBTGHH-AWEZNQCLSA-N 322.449 3.349 10 10 DGCE COc1ccc(O)c(CN[C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)c1 798493820 TXWPSLWCGZUWSP-IIAWOOMASA-N 305.418 3.086 10 10 DGCE CC1(C)OCC[C@@H]1CNCc1ccc(Br)cc1O 693067612 XGBBAKLZJBWKRZ-LLVKDONJSA-N 314.223 3.059 10 10 DGCE C[C@@H]1Cc2ccccc2N1[C@H](CN)c1cc(Cl)ccc1O 1083677021 CKUYOBMQCWAJGH-BDJLRTHQSA-N 302.805 3.497 10 10 DGCE COc1c[nH]nc1NC(=O)c1sccc1-n1c(C)ccc1C 1300168526 SECYLKQIXFPELG-UHFFFAOYSA-N 316.386 3.140 10 10 DGCE Cc1ncccc1CN(C)c1ccc(CO)c(Br)c1 2129798363 NNDKTWKVVYGEFH-UHFFFAOYSA-N 321.218 3.281 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)CC[C@@H]1CC(C)(C)CO1 1265094117 PYVBPXDTQWPQJY-QGZVFWFLSA-N 318.461 3.273 10 10 DGCE Cc1cc(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)oc1Br 1912159568 JIJMSCGDVOYPGH-MRVPVSSYSA-N 313.155 3.123 10 10 DGCE CNCc1ccc(N(C)[C@H]2C3C[C@@H]4C2[C@@H]4C3)c(Br)c1 2134321061 QKANXBMQKDHLSA-JCNGPGTBSA-N 321.262 3.259 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)CCCOCc1ccccc1 1958668632 NSEFXVTWBADFRQ-OAHLLOKOSA-N 302.378 3.285 10 10 DGCE CCCCCC[C@@H](O)CCC(=O)N1Cc2cccc(O)c2C1 1636230936 KQYNRBQMZNCJLV-OAHLLOKOSA-N 305.418 3.346 10 10 DGCE C[C@@H]1C[C@@H]1n1c(N(C)Cc2ccccc2O)nnc1C(C)(C)C 1726494329 FBJMEOGFGYCDOQ-OCCSQVGLSA-N 314.433 3.499 10 10 DGCE COc1ccc(N2CCN(CCCC3CCC3)CC2)c(OC)c1 1655378900 RSMBQYRBNVXEBI-UHFFFAOYSA-N 318.461 3.406 10 10 DGCE CN(C(=O)OC(C)(C)C)C1([C@@H](N)c2ccccc2O)CCC1 1928477532 VYMYWUUXHRQAPI-AWEZNQCLSA-N 306.406 3.182 10 10 DGCE Cc1ccccc1/C=C1\C(=N)N2N=C(C(C)C)SC2=NC1=O 92930 GEYIBBROMSFRDP-NLFVLIHZSA-N 312.398 3.270 10 10 DGCE CC/C(C)=C/C(=O)N(C)C[C@@H](C)NCc1ccc(OC)c(C)c1 1774115487 JNEBJICUDHSLGO-HFQYIWAZSA-N 318.461 3.296 10 10 DGCE C[C@H]1C[C@H](CNc2ccc(N)cc2)CN1C(=O)OC(C)(C)C 1959380986 PVZWVVYJTVUEIP-QWHCGFSZSA-N 305.422 3.326 10 10 DGCE COc1ccc(C(=O)NCCc2ccc(N)cc2)c2ccccc12 152525994 KBFYQQIWNJGNDA-UHFFFAOYSA-N 320.392 3.403 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H](CC1CC1)[C@@H](N)c1ccccc1O 1936967995 MMMBENYOZVXBPW-CZUORRHYSA-N 320.433 3.333 10 10 DGCE CN[C@H](C[C@H](NC(=O)OC(C)(C)C)C1CC1)c1ccccc1O 1936988034 YAVLFPLYIUJEPX-LSDHHAIUSA-N 320.433 3.346 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@@]2([C@@H](N)c2ccccc2O)C1 1936985185 SKBHUKJPYPHPHW-ZLHQLQKESA-N 318.417 3.085 10 10 DGCE CC[C@H](N[C@H]1C[C@@H](OC)C1)c1cc(Br)ccc1O 1963185460 HBDRIIQTLLBZAZ-LOWVWBTDSA-N 314.223 3.373 10 10 DGCE O=C(O)C=Cc1ccc(N2CC(OCc3ccccc3)C2)cc1 1977125741 KZLJAURVNOODGZ-UHFFFAOYSA-N 309.365 3.190 10 10 DGCE CC(C)N(C[C@@H](O)c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C 1977939794 SIPNXNIDCCKSLA-MRXNPFEDSA-N 322.449 3.432 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1C[C@@H]2Nc1ccccc1N 1978676912 NFFOOSQEUKCZFS-KNPMLCFXSA-N 317.433 3.373 10 10 DGCE CC(C)(C)OC(=O)NCC1C[C@@H]2CC[C@H](C1)N2CCCN=[N+]=[N-] 1982245367 GRZJLTMDKRZNGY-AGUYFDCRSA-N 323.441 3.455 10 10 DGCE C[C@H](O)c1cc(F)c(N2CC(OCc3ccccc3)C2)c(F)c1 1990406192 JREBPENKZLOCRQ-LBPRGKRZSA-N 319.351 3.424 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](NCc2ccc(F)cc2O)C1 1994524705 NPPPNNVWXYVLCB-ZIAGYGMSSA-N 324.396 3.067 10 10 DGCE CCN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2ccc(N)cc2)C1 169114592 JBNPTOOKGHAZQI-OAHLLOKOSA-N 305.422 3.105 10 10 DGCE Oc1c(Br)cccc1CN1C[C@@H](F)C[C@@H](F)C1 2011406584 UUJFRWVLXKVWCU-AOOOYVTPSA-N 306.150 3.037 10 10 DGCE Cc1c(Br)cccc1[C@@H](NN)c1ccccc1O 2029554543 ALIYRKUDLLNHCB-CQSZACIVSA-N 307.191 3.016 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@H]3C[C@H]2[C@@H]2C[C@@H]32)cc1Br 2041509967 AGOHZSALKXPWCT-GQWGITQZSA-N 308.219 3.347 10 10 DGCE CCCN[C@@]1(C(=O)O)CCC[C@H](CSc2nccs2)C1 404035277 HMCIITOXYYJTQU-FZMZJTMJSA-N 314.476 3.248 10 10 DGCE O=C1N=C(N2CCCCC2)SC1=Cc1csc([N+](=O)[O-])c1 2053574986 QJVFKGGLVJBOSP-UHFFFAOYSA-N 323.399 3.113 10 10 DGCE COC(C)(C)[C@@H](C)NCc1cccc(Br)c1O 720193542 IDYJYPLFDCSBGM-SECBINFHSA-N 302.212 3.058 10 10 DGCE CO[C@H]1C[C@@H](N(C)c2cc(Cl)c(CN)cc2F)C1(C)C 2177384996 GTHLRCSMWZUZGI-KGLIPLIRSA-N 300.805 3.188 10 10 DGCE Cc1cccc(O)c1CN[C@H](C)C1CN(C(=O)OC(C)(C)C)C1 877690661 SICXAXJVQJDYQW-CYBMUJFWSA-N 320.433 3.046 10 10 DGCE Cc1cc(O)n2ncc(C(=O)Nc3ccccc3CC(C)C)c2n1 2087900564 LBYDWCXVVYUPGB-UHFFFAOYSA-N 324.384 3.194 10 10 DGCE CSCC1(C)CN(c2ccc(CN)c(C(F)(F)F)c2)C1 2182701868 LWUFYILLMCZEKI-UHFFFAOYSA-N 304.381 3.353 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)NCCCOCc1ccccc1 2210533810 GJQATIYXHHLJDH-HUUCEWRRSA-N 317.393 3.124 10 10 DGCE CSc1ncc(CN=c2cc(C(F)F)nc(Cl)[nH]2)s1 2269285493 RHIBANREIRDOJF-UHFFFAOYSA-N 322.793 3.280 10 10 DGCE COc1cc(OC)c(N(C[C@@H](C)O)C(C)(C)C)cc1Cl 2288106631 BNTMEHINIFFOPO-SNVBAGLBSA-N 301.814 3.343 10 10 DGCE C[C@@H]1C[C@H]1c1ccc(C=CC(=O)NCc2ccc(O)c(O)c2)o1 2301402081 OYHRBBNJYBJFOP-BXUZGUMPSA-N 313.353 3.144 10 10 DGCE COc1ccc(O)c(CNC(=O)C=CSc2ccccc2)c1 2301549771 UHOKPYCGPWNDIE-UHFFFAOYSA-N 315.394 3.323 10 10 DGCE CCCOC(=O)NCc1ccc(C)c(Br)c1O 2307481987 LGYFDZIHCHGYHG-UHFFFAOYSA-N 302.168 3.099 10 10 DGCE CC[C@H](N)CN(CC)Cc1ccc(C)c(Br)c1O 2327620690 GGLQVVCZVNATOY-LBPRGKRZSA-N 315.255 3.022 10 10 DGCE CCc1ncncc1NCc1ccc(C)c(Br)c1O 2352950791 YEFMLESBERVADG-UHFFFAOYSA-N 322.206 3.428 10 10 DGCE CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C\Nc1c(C)n[nH]c1C 59858435 IQLJUTWMLSIIFH-DHDCSXOGSA-N 323.400 3.362 10 10 DGCE CSCCCN(C)c1cc(Br)c(CN)cc1F 310292230 KSNFNFGMVKDNES-UHFFFAOYSA-N 321.259 3.236 10 10 DGCE C[C@H](Nc1cncc(Br)c1)c1ccc(O)cc1O 302541801 YTPYPAXRIPJXLX-QMMMGPOBSA-N 309.163 3.428 10 10 DGCE CC(C)(C)c1ccc(O)c([C@H]2N[C@H](C(=O)O)C(C)(C)S2)c1 83236909 DFICLIBGURZCGJ-OLZOCXBDSA-N 309.431 3.257 10 10 DGCE Cc1ccc(O)c(CN[C@H]2CCN(Cc3ccccc3)[C@@H]2C)c1 381069228 OFZJBZDYDWXHIG-APWZRJJASA-N 310.441 3.453 10 10 DGCE C[C@@H](O)CCN(C)c1c(F)cc(CNC(C)(C)C)cc1F 135582527 JXPRHEUMEZSZKH-LLVKDONJSA-N 300.393 3.060 10 10 DGCE C[C@H](NCC1(C)OCCCO1)c1ccc2ccccc2c1O 190670557 SUUXWZFRQZEPTI-ZDUSSCGKSA-N 301.386 3.349 10 10 DGCE C[C@H](N[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1O 382484466 SPNKJOLJLBPHMD-MELADBBJSA-N 320.433 3.489 10 10 DGCE Oc1ccc(CNCc2sccc2Br)cc1O 147980117 GFVWBHVZMRQQNQ-UHFFFAOYSA-N 314.204 3.212 10 10 DGCE COc1ccc(CN2C[C@H](c3ccccc3)O[C@H](C)C2)c(O)c1 92486656 MNAUQXHQTDWEFQ-AUUYWEPGSA-N 313.397 3.363 10 10 DGCE CC[C@@H](N[C@H](C)Cc1cc(C)[nH]n1)c1ccc(N(C)C)cc1 90531767 SWHJLBPXJTUKEC-FZKQIMNGSA-N 300.450 3.456 10 10 DGCE Nc1ccc(NC(=S)Nc2cc(Br)ccn2)cc1 243586391 ORLCAIYUBGBHII-UHFFFAOYSA-N 323.219 3.235 10 10 DGCE CCOc1ccc(CN[C@@H]2COc3ccc(F)cc3C2)c(O)c1 808452926 VBVFYYZHWMNMQW-HNNXBMFYSA-N 317.360 3.023 10 10 DGCE O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@@H]1CC12CC2 817438420 GHZIJYHTRXVVBG-LBPRGKRZSA-N 304.353 3.135 10 10 DGCE CO[C@@H]1CC[C@@H](C(=O)NCc2ccc(N3CCCCC3)cc2)C1 824262414 XJGWJMOQZPFTJS-SJLPKXTDSA-N 316.445 3.108 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)N[C@H]1C[C@H](OCC)C1 821196050 PIIVCQQGDVHEQH-WKILWMFISA-N 320.433 3.271 10 10 DGCE Cc1ccc(/C=C\C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 588432656 JJBCTZZSIAABBL-QQBNSCQMSA-N 311.381 3.167 10 10 DGCE CCCN1CCC(CNC/C=C/c2ccc(N(C)C)cc2)CC1 835036169 AVTGDESHJRJAFN-AATRIKPKSA-N 315.505 3.477 10 10 DGCE CO[C@@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C1CCCC1 832437313 ZDAGJDHXZYAIKJ-SUMWQHHRSA-N 304.434 3.135 10 10 DGCE CN1CCN(c2ccc(CNC3(C4CCC4)CCC3)cc2)CC1 839186145 JAJSRZRVOWCEFN-UHFFFAOYSA-N 313.489 3.251 10 10 DGCE C[C@H]1CN(C/C=C\c2ccc(N(C)C)cc2)C2(CCC2)CO1 846067212 PANXFZOVTQQRFM-LEXSJLIMSA-N 300.446 3.409 10 10 DGCE Oc1cc2c(cc1CN1CC[C@H](CN3CCCCC3)C1)CCC2 742169263 QMJGACOUKNTKPS-MRXNPFEDSA-N 314.473 3.189 10 10 DGCE Cc1cc(CCNC(=O)C2=CCCCO2)c(C)n1-c1ccccc1 746105727 CQOIGBBOGAFECU-UHFFFAOYSA-N 324.424 3.447 10 10 DGCE COc1ccccc1[C@H](O)CN[C@@H](C)c1ccc(Cl)cc1O 841746260 XBWPRYYRKREOSU-MEDUHNTESA-N 321.804 3.438 10 10 DGCE COc1cc(C)cc(CN2CCC(c3ccon3)CC2)c1O 853593901 QVRKTVLXZDDNTR-UHFFFAOYSA-N 302.374 3.077 10 10 DGCE CC[C@@H]1C[C@@H](CN[C@H]2CCN(c3ccc(OC)cc3)C2)CCO1 850347330 QILLTNOCTFANHT-XYJFISCASA-N 318.461 3.069 10 10 DGCE O=[N+]([O-])c1ccc(NCc2cccc(Br)c2O)cn1 764934253 KOCGXJWPOREVDJ-UHFFFAOYSA-N 324.134 3.070 10 10 DGCE Cc1oc2ccccc2c1CCNC(=O)NCc1ccccc1O 766661498 YEUKNVPINZURCS-UHFFFAOYSA-N 324.380 3.489 10 10 DGCE COc1cnccc1[C@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1O 783331294 PJKFWSUUGNSRRU-WDEREUQCSA-N 317.345 3.116 10 10 DGCE C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CC1(C)C 785437857 ZWLIFBKKEIKCDT-DNVCBOLYSA-N 316.489 3.420 10 10 DGCE CCOC(=O)[C@@H](C)N(Cc1cc(Cl)cc(C)c1O)C1CC1 787439301 CRSGYOXVEONEFR-LLVKDONJSA-N 311.809 3.270 10 10 DGCE CCOc1ccc(CNc2ccc3ccc(=O)n(C)c3c2)c(O)c1 785536817 JVIFDIBTVUTFPI-UHFFFAOYSA-N 324.380 3.255 10 10 DGCE CN(C[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(CN)cc1 719950826 VDCIMTSPBHGXCD-FQEVSTJZSA-N 323.484 3.494 10 10 DGCE CN(c1ccc(CO)c(Br)c1)[C@H]1CCCSC1 689583751 CDSAPDNQKLGIFU-LBPRGKRZSA-N 316.264 3.273 10 10 DGCE Cc1oc(Br)cc1C(=O)N1CCC(N=[N+]=[N-])CC1 1912144723 XJRTTXDVOTYZEY-UHFFFAOYSA-N 313.155 3.265 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1ncc2ccccn12 1294681581 QIIMZILZHPNOOW-UHFFFAOYSA-N 309.369 3.092 10 10 DGCE Cc1ncccc1/C=C/C(=O)N1CCOc2c(F)ccc(F)c21 1527647767 VOGAVJSWQZPVGP-QPJJXVBHSA-N 316.307 3.107 10 10 DGCE Cc1ccc(CN(C(=O)Cc2ccc(O)c(O)c2)C(C)C)s1 1464420554 MYRMFIFMSFZSBU-UHFFFAOYSA-N 319.426 3.447 10 10 DGCE C[C@@H]1CC[C@@H]1NC(=O)N(C)Cc1ccc(N2CCCC2)cc1 1478604493 FBUBIESWYXDCCT-PBHICJAKSA-N 301.434 3.227 10 10 DGCE COc1nccc2c(NC(=O)c3cc(O)cs3)cccc12 1556949610 QMDOTNVHMBURES-UHFFFAOYSA-N 300.339 3.263 10 10 DGCE COc1cc(C2(C(=O)N3Cc4cccc(O)c4C3)CC2)ccc1C 1558035689 MIYCSTDNSOIIJD-UHFFFAOYSA-N 323.392 3.283 10 10 DGCE O=C(/C=C/SCc1ccco1)NCc1c(O)cccc1F 1558455150 QKSWBGKPFMOBTE-SOFGYWHQSA-N 307.346 3.188 10 10 DGCE Cc1cc(C(=O)Nn2ccnn2)c(C)n1-c1ccc(C(C)C)cc1 1556701102 AAFUISKONFRAOU-UHFFFAOYSA-N 323.400 3.193 10 10 DGCE COC(=O)CN(Cc1cc(Cl)ccc1O)CC1C[C@@H]2C[C@H]2C1 1657602961 PATPTCQAJURIRE-CHWSQXEVSA-N 323.820 3.067 10 10 DGCE CC(C)(C)OC(=O)NC[C@H](Nc1ccc(N)cc1)C(F)(F)F 1959372308 YCXNIVCNIQJJRE-NSHDSACASA-N 319.327 3.136 10 10 DGCE CCCCN(CCO)c1ccc(CNC)cc1C(F)(F)F 163693654 GICGNIVHMZOVTK-UHFFFAOYSA-N 304.356 3.024 10 10 DGCE O=C(CCn1c2c(c3ccccc31)CCCC2)O[C@H]1CCOC1 1849730457 CVWKTMUZCKNXGG-AWEZNQCLSA-N 313.397 3.242 10 10 DGCE CC(C)(C)OC(=O)N1CCC(C[C@@H](N)c2ccccc2O)CC1 1936979319 BOXVKPXLYVXFEJ-OAHLLOKOSA-N 320.433 3.429 10 10 DGCE O=C1c2ccccc2C(=O)c2cc(NCC(F)(F)F)ccc21 1857849139 FZXFVYIYAREVTE-UHFFFAOYSA-N 305.255 3.436 10 10 DGCE C[C@]1(N)CN(c2ccc(OCc3ccccc3)cc2)CC1(F)F 1900250914 OMJYLYCAZFJDAX-KRWDZBQOSA-N 318.367 3.438 10 10 DGCE CS(=O)(=O)c1cccc(Cl)c1CNc1ccc(O)cc1 129928491 IQPRLSOJDXTQEF-UHFFFAOYSA-N 311.790 3.061 10 10 DGCE Oc1cc(Br)ccc1CN1CC[C@H](CCF)C1 1969936378 LBTNILJUYKFZSU-JTQLQIEISA-N 302.187 3.336 10 10 DGCE CCN1CCc2cc([C@H](O)[C@H](C)NC(=O)OC(C)(C)C)ccc21 1977958965 PAIBNFGJGXARDE-BLLLJJGKSA-N 320.433 3.016 10 10 DGCE C[C@H](NCc1ccc(N)cc1)c1nscc1Br 2013670832 XMXMYBWFYUVZPS-QMMMGPOBSA-N 312.236 3.339 10 10 DGCE C[C@@H](O)c1ccc(N2CC(COC(F)(F)F)C2)cc1Cl 2156324458 UHWHMWCANRDXOH-MRVPVSSYSA-N 309.715 3.366 10 10 DGCE Cc1c(Br)cccc1[C@H](NN)c1ccccc1O 2029554542 ALIYRKUDLLNHCB-AWEZNQCLSA-N 307.191 3.016 10 10 DGCE C[C@@H]1[C@H](CN(C)c2ccc(CO)cc2Br)C1(F)F 2036078635 RBQZMGBUXRUHAV-SCZZXKLOSA-N 320.177 3.279 10 10 DGCE Cc1occc1-c1cc(N)n(-c2ccc(Br)cn2)n1 87847067 NMTQICJEOMEWPW-UHFFFAOYSA-N 319.162 3.180 10 10 DGCE Oc1c(F)cc(Br)cc1CNC[C@H]1C[C@@H]1C1CC1 715719258 RHSXDNJKIKCXHA-BXKDBHETSA-N 314.198 3.430 10 10 DGCE COCc1nc(CN(C)c2ccc(CN)cc2Cl)cs1 2188802600 UNIOXJLMBGDGDT-UHFFFAOYSA-N 311.838 3.038 10 10 DGCE CN(c1ccc(CO)cc1Br)C1[C@@H]2C[C@@H]2[C@H]2C[C@@H]12 2047812169 NNBKNPRQKDGQMA-DDHJBXDOSA-N 308.219 3.032 10 10 DGCE Cc1ccnc(OCCc2ccc(N)cc2)c1Br 2056264960 ZWIYEZBHZUKOPO-UHFFFAOYSA-N 307.191 3.356 10 10 DGCE COC(=O)[C@@H](NCCCN=[N+]=[N-])c1cc(Cl)sc1C 2098178648 VCEMNOKNOOLMLK-JTQLQIEISA-N 302.787 3.214 10 10 DGCE CSc1ncc(CN[C@H]2CS[C@H](C(F)(F)F)C2)s1 2208881579 FXNKBMFWSPUELH-SVRRBLITSA-N 314.423 3.391 10 10 DGCE CCC(CC)OC(=O)C=Cc1ccc(N2CCOCC2)cc1 2299770807 OQWNAQDCECHXDD-UHFFFAOYSA-N 303.402 3.268 10 10 DGCE COc1ccc(Br)c(CN[C@@H]2[C@@H](C)C[C@H]2C)c1O 2317049915 DUACDZAPYILMJL-WOFXILAISA-N 314.223 3.297 10 10 DGCE COc1cc(C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)sc1Cl 2340262430 GFNYUUKVUXYAEL-SSDOTTSWSA-N 300.771 3.325 10 10 DGCE COc1ccc(C(=O)Nc2ccc(O)cc2C(=O)O)cc1Cl 9694317 KOMQQQFGPYPURZ-UHFFFAOYSA-N 321.716 3.005 10 10 DGCE CCCc1cc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)n[nH]1 110848343 KTLOXULFWZBRNN-UHFFFAOYSA-N 323.400 3.417 10 10 DGCE C[C@H](OC(=O)/C=C/c1ccc(N2CCOCC2)cc1)C1CCC1 177276658 PQIPCDSFFZBNDY-VSGCLNPGSA-N 315.413 3.268 10 10 DGCE CC(C)(C)NCc1ccc(N2CC[C@H](CCO)C2)c(Cl)c1 123800550 NAQZIOLPFLHTBM-CYBMUJFWSA-N 310.869 3.437 10 10 DGCE O=C(c1cccc(O)c1O)N(Cc1ccco1)C1CCCC1 188257615 MUHXUJCOKOQYRD-UHFFFAOYSA-N 301.342 3.276 10 10 DGCE CCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 36099919 AKWDERAZGBAGHS-SFHVURJKSA-N 317.477 3.196 10 10 DGCE C[C@@H](NS(=O)(=O)Cc1ccc(N)cc1)c1ccc(Cl)cc1 40322718 PVSWXFRUPXXWRC-LLVKDONJSA-N 324.833 3.103 10 10 DGCE CN[C@@H]1C(=O)Nc2cc(N3CC[C@H](C)[C@@H](C)C3)c(Cl)cc21 130167648 MWFQSDJDKFLUPH-YHAQOWFVSA-N 307.825 3.035 10 10 DGCE CN(Cc1ccc(N2CCCCC2)cc1)[C@H]1CCCC[C@@H]1O 192589440 WJDCAVFXYFNLSA-OALUTQOASA-N 302.462 3.412 10 10 DGCE CCCOC(=O)c1ccc(NC(=O)Cc2ccc(N)cc2)cc1 236878612 WNZYPEHMYPAOAH-UHFFFAOYSA-N 312.369 3.017 10 10 DGCE CC(C)[C@@H]1C[C@@H](NCc2cc(Cl)c(F)cc2O)CCO1 293667229 QBZIJEITDBRIDE-NHYWBVRUSA-N 301.789 3.478 10 10 DGCE CC[C@@H](NCc1ccc(N(CC)CC)cc1)[C@H](O)C(F)F 294961096 DYLMEEILYPNTQL-CABCVRRESA-N 300.393 3.027 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)N[C@H](C)c1cn[nH]c1 802266690 UHZIFZNJIBFKES-CYBMUJFWSA-N 316.405 3.188 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@H]1CCn2nccc2C1 2165196152 AYNGKVNFHOXOIA-NSHDSACASA-N 312.200 3.000 10 10 DGCE COc1ccc(N2CC[C@@H](CNC(=O)CCCC(C)C)C2)cc1 819591731 WBTJGMXQJAHYCO-INIZCTEOSA-N 318.461 3.464 10 10 DGCE O=C(NCc1ccccc1O)c1c[nH]c2cc(Cl)ccc12 726981855 DBAQZJDNWZOLDA-UHFFFAOYSA-N 300.745 3.457 10 10 DGCE CC[C@H](N[C@@H]1C[C@H]2CC[C@H]1N(C(=O)OC)C2)c1ccccc1O 818358662 AIKIZQHQQDTINO-SLBVQIDZSA-N 318.417 3.052 10 10 DGCE COc1ccc(N(C)Cc2c(C(F)(F)F)cnn2C)cc1F 825468870 QYSSDNHQTFXEHM-UHFFFAOYSA-N 317.286 3.223 10 10 DGCE COC(=O)/C=C\c1ccc(N2CC[C@@H]2C(C)C)c([N+](=O)[O-])c1 829048336 YIUUQQFNBSAACZ-SCXUMTSISA-N 304.346 3.016 10 10 DGCE C[C@H](N[C@@H](CO)CCc1ccccc1)c1cc(F)ccc1O 903292869 NAPDHLYOWOSLLT-XJKSGUPXSA-N 303.377 3.176 10 10 DGCE Cc1ccc(CC[C@H](C)NCc2cc([N+](=O)[O-])ccc2O)o1 742380195 MAZNSWDUJDAXDT-NSHDSACASA-N 304.346 3.313 10 10 DGCE NC[C@H]1c2ccccc2CCN1Cc1cccc(Cl)c1O 843129573 PXHYUBBSKIVPST-INIZCTEOSA-N 302.805 3.104 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)N1CCCC[C@@H]1C1CCC1 844124222 RSKAKEVSMBACTE-TUPIDYKKSA-N 301.386 3.292 10 10 DGCE CC1(N2CCCC2)CCC(NC(=O)Nc2ccc(N)cc2)CC1 926141013 CUFLJBIZYZQCRO-UHFFFAOYSA-N 316.449 3.187 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)C3=CCCCCC3)C2)cc1 855228045 UKNGIKJTXHFANQ-INIZCTEOSA-N 314.429 3.281 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)c3c(C)cccc3C)C2)cc1 855232994 DGKMIFAWFYYKPB-INIZCTEOSA-N 324.424 3.321 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(N)cc2)[C@H](C2CC2)C1 1897319158 PVJHPMBTLMOTRV-JKSUJKDBSA-N 318.417 3.293 10 10 DGCE CC1(CNCc2ccc(N3CCC(CO)CC3)cc2)CCC1 766215413 YDOHZYONGCMIRD-UHFFFAOYSA-N 302.462 3.175 10 10 DGCE CC[C@@H]1CCCCN1CCNC(=O)N[C@@H](C)c1ccccc1O 868249040 IJHRRSHCKNNHLV-LSDHHAIUSA-N 319.449 3.017 10 10 DGCE CN(C[C@@H]1CCC2(COC2)O1)c1ccc(-c2nccs2)cc1 930710915 WFESEFQRSAUUSK-HNNXBMFYSA-N 316.426 3.194 10 10 DGCE CCOc1ccc(CN2CC[C@@H](C)[C@H](n3ccnc3)C2)c(O)c1 770319680 AMDIVHWPQDWJTC-RHSMWYFYSA-N 315.417 3.071 10 10 DGCE COc1cc(C)cc(CNc2cccc(N(C)C(C)=O)c2)c1O 894115945 KYZBQWJFTRVREG-UHFFFAOYSA-N 314.385 3.304 10 10 DGCE CN(C)C(=O)c1cc(NC(=O)c2cc(O)cs2)ccc1Cl 1136187519 CYIHNANNZVLOMT-UHFFFAOYSA-N 324.789 3.061 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@@H]3[C@H](C2)C3(F)F)c(Br)c1 715495306 VAGKVGQWCVHLSK-QNSHHTMESA-N 317.177 3.170 10 10 DGCE CN(C)c1ccc([C@H](N)c2c(F)cncc2Br)cc1 686935411 OPZFAKZDZZNKMD-AWEZNQCLSA-N 324.197 3.097 10 10 DGCE C[C@@H]1C[C@H]1n1c(C2CCC2)nnc1N(C)Cc1ccccc1O 1304960756 LTQPCQGZACHDLD-IUODEOHRSA-N 312.417 3.469 10 10 DGCE CC[C@@H]1[C@@H](Sc2nccs2)CC[C@]1(CO)NC(C)C 2122619571 VFNXKFHFESKKIT-MBNYWOFBSA-N 300.493 3.153 10 10 DGCE CS[C@@H](C)CNCc1ccc(C)c(Br)c1O 1905143052 MUNLNCYCOXAKHM-VIFPVBQESA-N 304.253 3.304 10 10 DGCE CC[C@@H](O)CN(CCCc1ccc(N)cc1)Cc1ccccc1 1915078450 QEQSMZCVSAQJDQ-HXUWFJFHSA-N 312.457 3.475 10 10 DGCE Cc1c(F)ccc(C(=O)NCc2cccc(Cl)c2O)c1N 1457038092 UTLLHMQXFFABMA-UHFFFAOYSA-N 308.740 3.005 10 10 DGCE CCCC[C@H](C)C(=O)N(C)CCN(C)c1ccc(OC)cc1 1531375037 PQPVDPKUOUFRLT-HNNXBMFYSA-N 306.450 3.416 10 10 DGCE C[C@H](NC(=O)C1(c2cccnc2)CC1)c1ccc(N(C)C)cc1 1467260422 RRXDOUDCXHBJSF-AWEZNQCLSA-N 309.413 3.057 10 10 DGCE O=C(NCc1cccc(Cl)c1O)c1cccc2c1CCOC2 1472316633 ALDACZQFCVIODG-UHFFFAOYSA-N 317.772 3.048 10 10 DGCE O=C(Nc1cc(Cl)c(O)c(Cl)c1)c1ccc(O)c(O)c1 227052098 MUZMYRMKUOBDQS-UHFFFAOYSA-N 314.124 3.363 10 10 DGCE CCCCN(CC)c1ccc(CNCCCOC)cc1OC 212658661 PGQCZOMSUZLESK-UHFFFAOYSA-N 308.466 3.448 10 10 DGCE CC/C=C(/C)C(=O)NC[C@H](C)CNCc1ccc(OC)c(C)c1 1482081275 BQEWIEAFYBGVSV-UMJDEASPSA-N 318.461 3.202 10 10 DGCE CC/C=C(/C)C(=O)N[C@H](C)[C@@H](C)NCc1ccc(OC)c(C)c1 1485128756 RONGOGVUQIEVKW-NWDJSDSRSA-N 318.461 3.343 10 10 DGCE O=C(NCc1c(O)cccc1F)c1cc(F)c(F)cc1Cl 1635360923 UJJVMFIXVFLKRD-UHFFFAOYSA-N 315.678 3.393 10 10 DGCE C[C@@H]1CC(CNC(=O)/C=C/c2ccc(O)c(O)c2)C[C@H](C)C1 1641082272 HUWLIVGJGBWJEP-HZGAQGMBSA-N 303.402 3.300 10 10 DGCE C[C@H](N[C@H](C)c1ccccc1O)c1nc(O)c2ccccc2n1 1648054204 QBONXJHFBSPYMK-NEPJUHHUSA-N 309.369 3.453 10 10 DGCE CCN(C(=O)OC(C)(C)C)[C@@H](C)C[C@H](N)c1ccccc1O 1928470608 PYXLEEASIQNNCB-JSGCOSHPSA-N 308.422 3.428 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)C2=CC[C@@H](C)CC2)cc1 1583621285 FLUGVSNFNVESLW-OAHLLOKOSA-N 316.445 3.336 10 10 DGCE CC[C@@H](NCc1ccccc1O)[C@H](C)NC(=O)OC(C)(C)C 1929761973 SKTRFEMDDQAYMY-GXTWGEPZSA-N 308.422 3.174 10 10 DGCE O=C(/C=C/c1cc2ccccc2o1)NCCc1ccc(O)c(O)c1 156588234 UOWJLQIWBNECNM-SOFGYWHQSA-N 323.348 3.216 10 10 DGCE CC(C)(C)OC(=O)Nc1cncc([C@@H](N)c2ccccc2O)c1 1938161380 DZLHKVIPLXGNBZ-OAHLLOKOSA-N 315.373 3.182 10 10 DGCE C[C@@H](NCc1ccc(N)cc1)c1cnn(Cc2ccccc2)c1 1936958584 CAOMPWDGVPOKJM-OAHLLOKOSA-N 306.413 3.364 10 10 DGCE CC(C)(C)OC(=O)N1CCCN(CCCCN=[N+]=[N-])CCC1 1962298304 CZPBWAMVHKSDRT-UHFFFAOYSA-N 311.430 3.410 10 10 DGCE O=S(=O)(Nc1ccc(O)c(C(F)(F)F)c1)c1cccs1 1970786646 VTIGPDRKSQJLOI-UHFFFAOYSA-N 323.317 3.273 10 10 DGCE O=C(O)C[C@@H](NCc1cccc(Cl)c1O)c1cccs1 164992666 REMUSTZGSSOOBS-LLVKDONJSA-N 311.790 3.413 10 10 DGCE C[C@@H](NCc1ccccc1O)c1nscc1Br 2013607688 PKXVTQQVPWGLCI-MRVPVSSYSA-N 313.220 3.462 10 10 DGCE CC[C@]1(CNCc2cccc(Br)c2O)CCCO1 2030255010 AOQUGHPLEIUINO-CQSZACIVSA-N 314.223 3.204 10 10 DGCE O=C1NC(=S)SC1=Cc1cnn(-c2ccc(Cl)cc2)c1 2040797421 NRXAIYMSWFXNLC-UHFFFAOYSA-N 321.814 3.015 10 10 DGCE COCCNCc1ccc(N2C[C@H](F)C[C@H]2C)cc1Cl 2160294198 HDWNREHHCSWASY-DGCLKSJQSA-N 300.805 3.013 10 10 DGCE C[C@@H]1CN(c2ccc(CO)c(Cl)c2)C[C@](C)(C(F)F)O1 705073442 DKHWULWHIQYARG-YMTOWFKASA-N 305.752 3.081 10 10 DGCE COC(C)(C)[C@H](C)NCc1c(O)cccc1Br 720288239 MSQPFDFDKUGUMZ-VIFPVBQESA-N 302.212 3.058 10 10 DGCE CCOC(=O)c1cnn(Cc2ccc(C)cc2O)c1C(F)F 2078991906 GLVRWKAFDIJOHH-UHFFFAOYSA-N 310.300 3.060 10 10 DGCE Cc1ccc([C@@H](C(C)C)n2nc(C)c(C(N)=O)c2Cl)c(O)c1 2079111129 IAZNYBYQDVORSS-CQSZACIVSA-N 321.808 3.203 10 10 DGCE O=Cc1c(C2CC2)nn(Cc2cccc(F)c2O)c1C(F)F 2079137713 CSVYKJOAEQAKAA-UHFFFAOYSA-N 310.275 3.404 10 10 DGCE CCc1nn([C@H](c2cc(C)c(C)cc2O)C2(C)CC2)c(N)c1N 2079945935 NYRQMDMVSFVNOE-MRXNPFEDSA-N 314.433 3.322 10 10 DGCE C[C@H](O)c1cc(F)c(N2CC[C@@H](P(C)(C)=O)C2)c(F)c1 2194511366 MRZHJPMZOSJZOM-GXSJLCMTSA-N 303.289 3.220 10 10 DGCE CC[C@@H](O)CN(CC)c1ccc([C@@H](C)N)cc1Br 2044554657 OLBOGILWTGOPSV-ZYHUDNBSSA-N 315.255 3.066 10 10 DGCE C[C@H]1CCNC[C@@H]1N(C)Cc1cc(Cl)cc(Cl)c1O 2107359018 KSBBUISUGXIDJX-ZANVPECISA-N 303.233 3.129 10 10 DGCE Cc1ccc([C@H](O)[C@H](N)c2ccccc2O)c(Br)c1 2091868681 UEUJKWMKAYYTNQ-CABCVRRESA-N 322.202 3.197 10 10 DGCE COC(=O)[C@](CSc1nccs1)(NC(C)C)C(C)(C)C 2207882157 XCWBZZVGVVZDIY-AWEZNQCLSA-N 316.492 3.191 10 10 DGCE Cc1cc(S(=O)(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])sc1Cl 2225798528 JKLBPCDYLMCVHR-YUMQZZPRSA-N 320.827 3.220 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@@H]1NC(=O)c1ccnc(Cl)c1Cl 2225802540 ZLPVLQNSIJNISJ-YUMQZZPRSA-N 300.149 3.350 10 10 DGCE CCC(F)(F)CCSC[C@H](O)COc1ccc(N)cc1 2283718359 KSNLIYPHNUJMBM-GFCCVEGCSA-N 305.390 3.177 10 10 DGCE CCCN1CCC[C@H]([C@@H](C)NCc2cnc(SC)s2)C1 2284688616 LLJXVMOLPBUSFO-OLZOCXBDSA-N 313.536 3.465 10 10 DGCE CC1=NN(c2ccc(C(=O)O)cc2)C(=O)C1=Cc1ccc(C)o1 2297313266 ISQIOPLXWZUGJX-UHFFFAOYSA-N 310.309 3.092 10 10 DGCE O=C(C=Cc1ccc(N2CCOCC2)cc1)Nc1ccsc1 2297610400 LFVSEXNKWNYOEI-UHFFFAOYSA-N 314.410 3.237 10 10 DGCE COC(=O)Cc1nc2c(C)cccn2c1N=Nc1ccc(O)cc1 2320767887 QHMBAURCWPKCEW-UHFFFAOYSA-N 324.340 3.479 10 10 DGCE CCCN1C(=O)C(=Cc2cccc(OC)c2OC)SC1=S 2323693815 YGFLMXHSQGDLAJ-UHFFFAOYSA-N 323.439 3.315 10 10 DGCE Nc1ccc(CCC(=O)c2cncc(Br)c2)cc1 2321102913 VDPGTFWSXGHKQQ-UHFFFAOYSA-N 305.175 3.242 10 10 DGCE CC[C@@H]1C[C@@H]1C(=O)NCc1ccc(C)c(Br)c1O 2327590816 BXYVDHPLZFCUQM-KOLCDFICSA-N 312.207 3.125 10 10 DGCE CO[C@H]1CC[C@@H](NCc2ccc(C)c(Br)c2O)C1 2327624732 UOANYUKFONSAKS-NEPJUHHUSA-N 314.223 3.120 10 10 DGCE CCCN1CCC(CN[C@@H](C)c2ccc(F)c(F)c2O)CC1 187700052 YYBINPBNZRHWED-LBPRGKRZSA-N 312.404 3.443 10 10 DGCE CCC[C@@H]1CN(c2ccc(OC)c(Br)c2)CCN1 88331055 XOSNKBNJLNUZAK-LLVKDONJSA-N 313.239 3.036 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2sccc2[nH]1 192205968 GEHXYJKDYZFOQZ-SECBINFHSA-N 316.382 3.002 10 10 DGCE CC1(C)CCN(c2ccc(CN)c(Br)c2F)C1 231840371 WEBNHQLABAJXBU-UHFFFAOYSA-N 301.203 3.283 10 10 DGCE C[C@H](N[C@H]1CC=CCC1)c1ccc(N2CCC(O)CC2)cc1 90035716 AXAAENQOGYYIID-RDJZCZTQSA-N 300.446 3.407 10 10 DGCE COC[C@H]1CCN1C(=O)c1cc(C)n(-c2ccccc2C)c1C 817809121 OCBHPTHHTOXPBA-MRXNPFEDSA-N 312.413 3.263 10 10 DGCE CCN(C)c1ccc(CN(CCO)Cc2ccc(C)o2)cc1 815106684 ZQFRTFJKQYZTJT-UHFFFAOYSA-N 302.418 3.039 10 10 DGCE C[C@@H](N[C@@H]1CCCCNC1)c1cccc(C(F)(F)F)c1O 817983692 IHXVKPAZGJUPPT-GHMZBOCLSA-N 302.340 3.204 10 10 DGCE CN(C)c1ccc(/C=C\CNC[C@](C)(O)c2cccs2)cc1 835039478 FHYWNRKMQUNMKX-SUZKBHRPSA-N 316.470 3.325 10 10 DGCE CC1(C)Nc2ccccc2[C@@H]1NCc1cc2c(cc1O)OCO2 903948825 VRRSHTVFXUSKAZ-KRWDZBQOSA-N 312.369 3.156 10 10 DGCE Cc1ccc(C(C)C)cc1OCC(=O)NCc1ccc(N)cc1 837303277 CXBLXIJCCAIHOZ-UHFFFAOYSA-N 312.413 3.396 10 10 DGCE CN(C)c1ccc(/C=C\CNC2(CCO)CCCCC2)cc1 835043403 QJDSPBCURSZCJG-SREVYHEPSA-N 302.462 3.441 10 10 DGCE CC(C)(C)OC(=O)N[C@@](C)(COc1ccc(N)cc1)C(F)F 1953021076 QWPCXXKOHYTRPC-HNNXBMFYSA-N 316.348 3.196 10 10 DGCE Cc1cc(Cl)cc(CNc2ccc(OCCN)cc2)c1O 841055188 UBDJAZBPJSXAHF-UHFFFAOYSA-N 306.793 3.304 10 10 DGCE COc1ccc(N2CC[C@H](Nc3ncnc4ccccc34)C2)cc1 853758576 HSHFGWKBPJXWHM-AWEZNQCLSA-N 320.396 3.329 10 10 DGCE CC[C@H](NC[C@@H]1CCC2(CCOCC2)O1)c1ccc(C)cc1O 927017070 VQGHJCUBEKIFAK-RDJZCZTQSA-N 319.445 3.470 10 10 DGCE Cc1cccnc1CCNCc1cc(F)c(N(C)C)cc1F 858172813 HIKNPYRCWFHSNV-UHFFFAOYSA-N 305.372 3.067 10 10 DGCE COC(=O)c1ccc(O)c([C@H](C)N[C@H]2CCS[C@H](C)C2)c1 927032412 MZKIGKDHMQUKIG-MDZLAQPJSA-N 309.431 3.114 10 10 DGCE CCOc1ccc(O)c(CN2CC[C@H](C(C)(C)C)[C@H](O)C2)c1 757865451 GPKIGEWQFRMYRT-DOTOQJQBSA-N 307.434 3.020 10 10 DGCE C/C=C\C[C@H](NCc1cc(Cl)cc(C)c1O)C(=O)OCC 763361413 KILOWADIHMOZLM-SDQPKGBYSA-N 311.809 3.342 10 10 DGCE COc1ccc2c(c1)C[C@H](C(C)C)CN2CCc1nnc(C)o1 930754991 UECXXIXSLPNVAT-HNNXBMFYSA-N 315.417 3.264 10 10 DGCE Cc1cc(C)cc(CN(C)C(=O)/C=C\c2ccc(O)c(O)c2)c1 765637030 PHUJPKGJPHBICZ-ALCCZGGFSA-N 311.381 3.386 10 10 DGCE CC[C@H](NCc1nccn1CC(F)(F)F)c1ccccc1O 775412989 SZOPIQPIVQAJJO-LBPRGKRZSA-N 313.323 3.392 10 10 DGCE CN(C)c1ccc(-c2nc(-c3nnc(S)o3)cs2)cc1 82686232 POOREOWMRAPJSY-UHFFFAOYSA-N 304.400 3.215 10 10 DGCE CCC1(N2CCC2)CCN(Cc2c(O)cccc2Cl)CC1 895827906 OQNQHQNEUYJHGT-UHFFFAOYSA-N 308.853 3.496 10 10 DGCE COc1cc(Br)cc(CN2[C@@H](C)C[C@H]2C)c1O 793220117 JYPKDPQHAFWEKH-DTORHVGOSA-N 300.196 3.146 10 10 DGCE O=C(NCC[C@H]1CCCCO1)c1cc2cc(O)c(O)cc2s1 897350081 ZMLFNSPKLSWXMX-LLVKDONJSA-N 321.398 3.002 10 10 DGCE C[C@H]1CC[C@@H](Nc2ccccc2N)CN1C(=O)OC(C)(C)C 1959358651 DBXAOJJISSIYPQ-QWHCGFSZSA-N 305.422 3.469 10 10 DGCE C[C@@H](NC(=O)N1CCC(F)(F)CC1)c1ccc(N(C)C)cc1 793061377 HNJZAWIFCVLICV-GFCCVEGCSA-N 311.376 3.254 10 10 DGCE O=C(NCc1cccc(Cl)c1O)NC[C@@H]1CC[C@H]2C[C@H]2C1 1313062130 DSAGPMGUMCSUSK-NTZNESFSSA-N 308.809 3.281 10 10 DGCE CC(C)(C)OC(=O)N[C@H](CNCc1ccccc1O)C(C)(C)C 1900263763 ZTFDGWFWQCKIDI-OAHLLOKOSA-N 322.449 3.421 10 10 DGCE C[C@H]1CCN(c2ccc(C=CC(=O)O)c(Br)c2)C1 1911918782 MWRHGCSJPXDDNV-JTQLQIEISA-N 310.191 3.393 10 10 DGCE Cc1ccc(S(=O)(=O)N2CCCC[C@@H](CN=[N+]=[N-])C2)s1 1912201565 WFPFOSSAIRTKBE-NSHDSACASA-N 314.436 3.158 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1(C)C(C)(C)C1(C)C 1447566386 WWHFUDIYXYXTSL-LLVKDONJSA-N 305.418 3.217 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2Cc1cc(F)ccc1F 1459873529 CWWUKKFVVQRTOX-UHFFFAOYSA-N 304.340 3.430 10 10 DGCE CCS[C@H]1CCC[C@H]1NCc1cc(F)cc(C(C)=O)c1O 1460080759 FZNUMBXOAQJKHJ-CABCVRRESA-N 311.422 3.498 10 10 DGCE CCC/C=C/[C@H](O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C 1544884435 FTMMRKLCKLTSRE-BLGFXRMMSA-N 318.461 3.207 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2cc(F)c3ncccc3c2)c1 1629740645 LAVBTPNUNCXRQC-UHFFFAOYSA-N 310.328 3.318 10 10 DGCE COc1ccc(CNCC[C@H](C)NC(=O)CC(C)(C)C)cc1C 1482809350 CTBWCUKPPRZCIM-HNNXBMFYSA-N 320.477 3.424 10 10 DGCE COc1ccc(-n2c(C)cc(C(=O)NOC3CCC3)c2C)cc1 1624399231 REOXAXICABGISD-UHFFFAOYSA-N 314.385 3.317 10 10 DGCE CC[C@H](C)[C@H](C)N1CCN(c2ccc(OC)cc2OC)CC1 1560083130 QLLKUKIRFWWIPD-GJZGRUSLSA-N 306.450 3.260 10 10 DGCE CCCN[C@H](CCNC(=O)OC(C)(C)C)c1ccccc1O 1928477836 YZDKBUUTJRONCD-CQSZACIVSA-N 308.422 3.348 10 10 DGCE Nc1ccc(O)c(CNC(=O)c2cc3sccc3s2)c1 123206380 SNRHYHMLKYJRAM-UHFFFAOYSA-N 304.396 3.181 10 10 DGCE Cc1ccc([C@@](C)(O)CN[C@@H](C)c2ccc(N(C)C)cc2)o1 165649381 IGQOKJTYAUUGHN-KSSFIOAISA-N 302.418 3.212 10 10 DGCE COc1cc(Cl)cc(CNC[C@]2(Cl)CC2(F)F)c1O 2140628298 SMHXKRSCEJFYRK-LLVKDONJSA-N 312.143 3.160 10 10 DGCE CCn1c(C)nnc1CN1CCCc2cc(OC(F)F)ccc21 154961885 ADZBZSBZCKWVJU-UHFFFAOYSA-N 322.359 3.161 10 10 DGCE O=C(O)C1CCN(/N=N/c2ccc(Cc3ccncc3)cc2)CC1 1860486456 FMUGWOLVNGDREJ-QZQOTICOSA-N 324.384 3.468 10 10 DGCE CCOc1cccc(/C=C2\C(=O)N(CC)N=C2C(F)(F)F)c1 1865670042 FOTOGLMUXHMEHZ-XFXZXTDPSA-N 312.291 3.249 10 10 DGCE C[C@@H]1[C@H](NCc2ccc(F)cc2O)CCN1Cc1ccccc1 1964572255 MJJMTMNYWJZTQQ-RDTXWAMCSA-N 314.404 3.284 10 10 DGCE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NCc1ccc(N(C)C)cc1 237516340 SKAXKXRXIWQHLR-UTKZUKDTSA-N 323.484 3.363 10 10 DGCE CC1(C)[C@H](O)C[C@H]1CNCc1cc(Cl)cc(Cl)c1O 1966075199 VCFAJLZIDQKPDQ-JOYOIKCWSA-N 304.217 3.196 10 10 DGCE C[C@@H]1C[C@@H](NCc2c(O)cccc2F)CN1C(=O)OC(C)(C)C 1976861284 UIACUYDVERWPMD-VXGBXAGGSA-N 324.396 3.019 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(CCCN=[N+]=[N-])C[C@@H]2C1 1995007831 ZMJYNMNZLAUFJU-MELADBBJSA-N 323.441 3.312 10 10 DGCE CN(Cc1ccccc1)C1CN(c2ccc3c(c2)CCC[C@H]3N)C1 2012681907 VOKWJWLVAPLKKG-OAQYLSRUSA-N 321.468 3.343 10 10 DGCE Oc1c(F)cc(Br)cc1CNC1(CCF)CC1 2018874588 DBDBJDNZYZHLAP-UHFFFAOYSA-N 306.150 3.276 10 10 DGCE C[C@@H]1C[C@]1(F)CN(C)c1ccc(CO)cc1Br 2025731822 MJNWDZWFQMEKPQ-RNCFNFMXSA-N 302.187 3.126 10 10 DGCE CC[C@H](C)N(CCO)c1ccc([C@H](C)N)cc1Br 310776894 NYAHVBNAFSILHQ-QWRGUYRKSA-N 315.255 3.066 10 10 DGCE C[C@@H]1CCO[C@H]1CCN(C)c1cc(Cl)c(CN)cc1F 2177388194 OHXTVDJHMXOCPC-BMIGLBTASA-N 300.805 3.189 10 10 DGCE CC(C)[C@H]1COC[C@H]1N(C)c1cc(Cl)c(CN)cc1F 2177382886 GNBLRUJOSIJZFD-IAQYHMDHSA-N 300.805 3.045 10 10 DGCE CC(C)NCc1ccc(N2CCO[C@H](CF)C2)cc1Cl 2172051475 VDAGIPZIAYESJM-CQSZACIVSA-N 300.805 3.013 10 10 DGCE CCN[C@@H](C)c1ccc(N2CCO[C@H](CF)C2)cc1Cl 2172041661 OQZZDDCVFAAJGO-WCQYABFASA-N 300.805 3.185 10 10 DGCE C[C@H]1CCN(Cc2c(O)cccc2Br)C[C@@H](C)O1 707144986 CKUQNERLBZUWCO-WDEREUQCSA-N 314.223 3.154 10 10 DGCE Nc1ccc(CC(=O)NCc2cccc(Cl)c2Cl)cc1 693652519 DFYISFIPWUZQAV-UHFFFAOYSA-N 309.196 3.435 10 10 DGCE CC[C@@H](N)Cc1cnc(Sc2nc(C)c3n2CCC3)s1 2176936325 FVVMZFNAFNKDEM-SNVBAGLBSA-N 308.476 3.025 10 10 DGCE CCO[C@@H](CNCc1cccc(Br)c1O)C(C)C 2068090763 UKQWLXATMNZHEJ-ZDUSSCGKSA-N 316.239 3.305 10 10 DGCE C[C@H](c1cc(Cl)ccc1O)N(C)C[C@H](F)[C@H]1CCOC1 2238367727 OAZJMXQTISHJAZ-SUNKGSAMSA-N 301.789 3.413 10 10 DGCE C[C@@H](CF)N(C)c1ccc(CNC2CC2)c(Br)c1 2257915164 GEQLJRXHQOKNAF-JTQLQIEISA-N 315.230 3.495 10 10 DGCE CP(C)(=O)C1CN(c2ccc(C=CC(=O)O)c(Cl)c2)C1 2286168662 HUIOKTWBKGKXPW-UHFFFAOYSA-N 313.721 3.249 10 10 DGCE Oc1ccc(Br)c(NCc2cccc(O)c2O)c1 2321008439 UNPJMIBSZDTDAF-UHFFFAOYSA-N 310.147 3.178 10 10 DGCE Cc1ccc(CNc2cn(C)nc2C)c(O)c1Br 2327798240 DXRZAASVKXCICP-UHFFFAOYSA-N 310.195 3.117 10 10 DGCE C[C@@H](C(=O)Nc1ccc(N)cc1)[S@@](=O)c1cccc(Cl)c1 54186083 AZYIEOGKCDTSJP-CWKPULSASA-N 322.817 3.057 10 10 DGCE C[C@H](Cc1ccsc1)N(C)Cc1cc([N+](=O)[O-])ccc1O 176452614 YYXJXYXODJKSEI-LLVKDONJSA-N 306.387 3.425 10 10 DGCE Cc1ccccc1C(=O)NC1CCN(Cc2ccccc2O)CC1 179557344 RIRMRRZNILEJGL-UHFFFAOYSA-N 324.424 3.095 10 10 DGCE COCCNCc1ccc(N2CCc3sccc3C2)cc1 62734461 USHBFFAQQVPMSO-UHFFFAOYSA-N 302.443 3.047 10 10 DGCE C[C@H]1C[C@@H](NCc2cc(OC(F)(F)F)ccc2O)CS1 2361025451 ANHUPWFZQGJBKH-WCBMZHEXSA-N 307.337 3.274 10 10 DGCE CC(C)(CNC(=O)OC(C)(C)C)NCc1ccc2c(c1)CCO2 221045070 BVFHKUUJYZODKS-UHFFFAOYSA-N 320.433 3.014 10 10 DGCE CCN[C@@H]1C(=O)Nc2cc(N(CC)CC3CC3)c(Cl)cc21 92752367 SXUUYDBGNRVGAT-HNNXBMFYSA-N 307.825 3.179 10 10 DGCE COc1cc(C)c(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1 96314385 WBIGDULLIZCQRD-UHFFFAOYSA-N 320.433 3.369 10 10 DGCE COc1ccc(O)c([C@H](C)NC2CC(N3CCCCC3)C2)c1 373523658 PXWMENRJTSONRR-NFOMZHRRSA-N 304.434 3.068 10 10 DGCE CCOc1ccc(O)c(CN2CCC[C@@H]2c2cc(C)on2)c1 371395025 CGBCRKZUKGERCG-MRXNPFEDSA-N 302.374 3.424 10 10 DGCE CCCc1occc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 282363215 OKLLSQLJCCWIFZ-NSHDSACASA-N 303.358 3.004 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2[C@H]3COC[C@H]2C3)c1 808049721 BKMOJRNFJJOXND-HZPDHXFCSA-N 310.397 3.016 10 10 DGCE C[C@H](NC(=O)CC[C@H]1CCCCN1C)c1ccc(N(C)C)cc1 807274342 OIUZLYVYKQEVPK-MAUKXSAKSA-N 317.477 3.194 10 10 DGCE CC[C@@H](NC[C@H]1CC[C@H](C(N)=O)CC1)c1ccc(N(C)C)cc1 817585765 HWKWVOLXZIYEEQ-QGPMSJSTSA-N 317.477 3.085 10 10 DGCE C[C@]1(c2ccccc2)CCN(C(=O)c2c(F)ccc(O)c2O)C1 826826407 ZHWZXZZRHYBRJF-SFHVURJKSA-N 315.344 3.041 10 10 DGCE Cc1ccc(O)c([C@@H](C)N[C@H](CCN(C)C)c2cccnc2)c1 903378467 CJPAQOLGAMFNJI-CRAIPNDOSA-N 313.445 3.439 10 10 DGCE CO[C@@H]1[C@H]2C[C@@H]3CN(C/C=C\c4ccc(N(C)C)cc4)[C@@H]1[C@H]3C2 835053126 SVMHQLDIRDEQFM-HRNBTRKXSA-N 312.457 3.121 10 10 DGCE CC(C)O[C@@]1(CN[C@@H](C)c2ccc(Cl)cc2O)CCOC1 903358746 YWLUHNFIYBCSIJ-BLLLJJGKSA-N 313.825 3.280 10 10 DGCE C[C@H](N[C@@H](CCN(C)C)c1cccnc1)c1c(O)cccc1F 903379516 XIZASDFQPBTWGG-BBRMVZONSA-N 317.408 3.270 10 10 DGCE Cc1ccccc1C[C@H](CO)NC/C=C/c1ccc(N(C)C)cc1 835050015 MAQAZBNXXMYUIP-CPSHHHPTSA-N 324.468 3.267 10 10 DGCE Cc1cc(C)c2c(N)c(C(=O)OCc3ncc(C)o3)sc2n1 744576107 LMUFJPHYIVENAF-UHFFFAOYSA-N 317.370 3.149 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCC[C@H]([C@H]3CCCN3)C2)cc1 843044010 FYGKEOANWVZRNV-DTRRYIFCSA-N 313.489 3.230 10 10 DGCE CC[C@H](NCc1ccc2oc(=O)n(C)c2c1)c1ccccc1O 858540009 SKEYSRQASARJSI-AWEZNQCLSA-N 312.369 3.078 10 10 DGCE COC(=O)CC(C)(C)C[C@@H](C)NCc1ccc(N(C)C)cc1 850422019 CHBRKTLTPFWJCJ-CQSZACIVSA-N 306.450 3.210 10 10 DGCE COc1ccc(N2CCC(Nc3cnn4ccccc34)CC2)cc1 922256214 CASVKOVGSNKTLF-UHFFFAOYSA-N 322.412 3.424 10 10 DGCE Cc1ccc(C(=O)NCC(C)(C)CC(F)(F)F)c(O)c1O 856519605 JYLRJUKTQVZJQX-UHFFFAOYSA-N 305.296 3.115 10 10 DGCE CC(C)c1csc(NC(=O)/C=C\c2ccc(O)c(O)c2)n1 779499307 NVFQTWNKFDKSHV-XQRVVYSFSA-N 304.371 3.330 10 10 DGCE O=C(C[C@@]12CCCC[C@H]1C2(F)F)N1Cc2cccc(O)c2C1 871206310 ZEPYHJPGMWOPDQ-ZBFHGGJFSA-N 307.340 3.450 10 10 DGCE Cn1cnc(/C=C\C(=O)N2CC3(CCCC3)c3ccccc32)c1 1126786462 XBOSROPNMIOGRC-HJWRWDBZSA-N 307.397 3.292 10 10 DGCE Oc1ccc(Cl)cc1CNc1ccc(N2CCOCC2)cc1 76272618 SVEZVVFLZYWSIG-UHFFFAOYSA-N 318.804 3.494 10 10 DGCE COc1ccc2c(c1)NC1(CCCC1)CN2CCCC(=O)O 76931065 GTRFIDICOCEWHJ-UHFFFAOYSA-N 304.390 3.105 10 10 DGCE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1c1ccc(N)cc1 1959572433 MSTMGDKSDKJXNV-OCCSQVGLSA-N 305.422 3.151 10 10 DGCE CN(CCCNCc1cc(F)cc(F)c1O)Cc1ccccc1 708455201 VBJSWLSRHQAJMG-UHFFFAOYSA-N 320.383 3.282 10 10 DGCE Cc1nc2cc(C(=O)NCc3cc(Cl)ccc3O)ccc2o1 1146231648 GQOPYVOONXNYMS-UHFFFAOYSA-N 316.744 3.425 10 10 DGCE CC[C@@H]1COC[C@H]1N(C)Cc1ccc(Br)cc1O 691678174 FWFONSXBVRLLPV-ZWNOBZJWSA-N 314.223 3.012 10 10 DGCE CCN(CC)CN1C(=O)/C(=C\c2ccccc2)SC1=S 1081103594 MXDROEHSBVNPHM-JLHYYAGUSA-N 306.456 3.187 10 10 DGCE C[C@@H]1CN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)[C@H](C)CCO1 1234556341 SLKPYOKIEAHXCV-RBSFLKMASA-N 319.449 3.023 10 10 DGCE CC/C=C\CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1 1251361987 SWCORKOTFGNFRB-PLNGDYQASA-N 301.434 3.394 10 10 DGCE CC[C@H](NCc1c(C(F)(F)F)cnn1C)c1ccccc1O 1334889198 HVJUTFWAWPJYES-LBPRGKRZSA-N 313.323 3.385 10 10 DGCE CC(C)CO[C@@H](C)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1356266057 IMXCPKWVHJQOTG-INIZCTEOSA-N 318.461 3.306 10 10 DGCE CCNCc1ccc(N(Cc2ccccc2)[C@H](C)CO)c(C)c1 1914372197 DRHBHCZJDIOMGM-QGZVFWFLSA-N 312.457 3.492 10 10 DGCE CC[C@H](C)[C@@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 1289599740 IHLIBVRCCZFOOB-DAYGRLMNSA-N 319.493 3.154 10 10 DGCE CN(CCF)c1ccc(CNC2CC2)cc1Br 1916500991 SRJXLGJODOHGIJ-UHFFFAOYSA-N 301.203 3.107 10 10 DGCE CC1CCN(c2ccc(N3C(=O)CSC3=S)cc2)CC1 1860075924 YAHIJDQRCWYUGJ-UHFFFAOYSA-N 306.456 3.288 10 10 DGCE COCCN(CCOC)/N=N/c1ccc(C(F)(F)F)cc1 1860488329 NTKCDABYWSVHAH-ISLYRVAYSA-N 305.300 3.299 10 10 DGCE C[C@H]1CC[C@](O)(CNCc2cc(Cl)cc(Cl)c2O)C1 2136895308 WNVBRARGJZXHPN-LKFCYVNXSA-N 304.217 3.340 10 10 DGCE Cc1ccoc1CC(=O)NCc1cc(Cl)cc(Cl)c1O 1638305893 PQUCIZNLHPJRCU-UHFFFAOYSA-N 314.168 3.459 10 10 DGCE O=C(/C=C\c1cccc(O)c1)NCc1cccc(Cl)c1O 1637227189 QOXYCXNYFKQSNS-FPLPWBNLSA-N 303.745 3.081 10 10 DGCE CCn1cc(C(=O)NCc2cc(Cl)ccc2O)c(C(C)C)n1 1632224222 XCJOZGDRZCEEIV-UHFFFAOYSA-N 321.808 3.315 10 10 DGCE C[C@H](NC(=O)c1cn(-c2ccccc2)cn1)c1ccccc1O 1648894957 XSJXEQZIMNEEEO-ZDUSSCGKSA-N 307.353 3.069 10 10 DGCE CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1[C@H](N)c1ccccc1O 1929718627 PGKHYIZXNGAHQI-ZIAGYGMSSA-N 306.406 3.038 10 10 DGCE O=C(NCc1c(O)cccc1O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 1597574507 OEHLKPHDBRVHTR-BFHYXJOUSA-N 303.402 3.321 10 10 DGCE CCCn1c(-c2cccnc2)nnc1N(C)Cc1ccccc1O 1772877745 IXQGGWKJQNXAFC-UHFFFAOYSA-N 323.400 3.092 10 10 DGCE CCN(C[C@H]1CCCO1)c1ccc(CN)cc1C(F)(F)F 163691487 MGMHYYFHGHVZIM-GFCCVEGCSA-N 302.340 3.169 10 10 DGCE COc1cccc2c1C(=O)c1ccc3c(c1C2=O)[C@H](O)C[C@@H](C)C3 3781995 GCPUVEMWOWMALU-IINYFYTJSA-N 322.360 3.086 10 10 DGCE biogenic O=C1c2ccccc2C(=O)c2cc(NC3CCOCC3)ccc21 1857847278 JZIFAPYNXCDOHY-UHFFFAOYSA-N 307.349 3.053 10 10 DGCE CCNCc1cc(F)c(N2CCCSC[C@H]2C)c(F)c1 2143617458 QHRAJZULAIQEJT-LLVKDONJSA-N 300.418 3.406 10 10 DGCE C[C@@H]1N(c2ccc(CO)cc2Br)CCC1(F)F 2004602515 JYQQZGAWBRLEAP-QMMMGPOBSA-N 306.150 3.175 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](Nc2c(N)cccc2F)[C@H]2C[C@@H]21 1983873699 IMZTWMUQENZPNP-SWHYSGLUSA-N 321.396 3.218 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN1Cc1csc(Br)n1 1984485477 MDYLZTHZRJRVNP-MRVPVSSYSA-N 302.201 3.180 10 10 DGCE CN[C@H](c1ccccc1O)[C@@H]1C=CCCN1C(=O)OC(C)(C)C 1985687991 IFXSDHDWWKCHMF-GOEBONIOSA-N 318.417 3.218 10 10 DGCE C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@@]1(C)CN 311378300 AFVBVKFNZQVRSU-LKFCYVNXSA-N 303.233 3.116 10 10 DGCE CN(C[C@@]1(C)CC1(F)F)c1ccc(CO)c(Br)c1 689345488 KIDWDAKSPZVFOX-GFCCVEGCSA-N 320.177 3.423 10 10 DGCE COCC(C)(C)CCNCc1cc(Br)ccc1O 718757924 QHVPNRNRXZUNSF-UHFFFAOYSA-N 316.239 3.307 10 10 DGCE CCCN[C@]1(C(=O)O)CCC[C@@H](Sc2nccs2)[C@@H]1C 2175812150 XSTGMHXGDSZRNM-MISXGVKJSA-N 314.476 3.247 10 10 DGCE CN[C@@H](c1ccc(N(C)C)cc1)c1ccc(Br)o1 2044708487 NOLMYIQGILKYHC-AWEZNQCLSA-N 309.207 3.417 10 10 DGCE Oc1cccc(CNCc2snc(Cl)c2Cl)c1O 2048345875 IKNGMBOPOLABLZ-UHFFFAOYSA-N 305.186 3.151 10 10 DGCE CO[C@@H]1CC[C@@H](CNCc2cc(Br)ccc2O)C1 2054479276 RKDHFOFEXHNFGX-ZWNOBZJWSA-N 314.223 3.059 10 10 DGCE Cc1ccc(CN(C)c2ccc(CN)c(Br)c2)cn1 2110727112 QZMDNDRPCQPSIC-UHFFFAOYSA-N 320.234 3.248 10 10 DGCE Cc1sc(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)cc1Br 2213773124 JKSYTCWSFFEQOL-SSDOTTSWSA-N 315.196 3.344 10 10 DGCE CSc1ncc(CNCc2ccc([N+](=O)[O-])cc2F)s1 2208617236 DCQOZYBVXKKFMB-UHFFFAOYSA-N 313.379 3.202 10 10 DGCE CC1(C)[C@H]2C[C@H]1CN(c1ccc(CO)c(Br)c1)C2 2221710266 UIMBAQVTFDROPI-RYUDHWBXSA-N 310.235 3.424 10 10 DGCE CCN[C@@H](CSc1nccs1)c1cn(C)nc1C(F)F 2286534223 GMVJMXOMSBLAJK-VIFPVBQESA-N 318.418 3.257 10 10 DGCE CC(C)[C@H](O)C(C)(C)NCc1cc(Br)ccc1O 2318029177 XQGDYXXDZDECSB-ZDUSSCGKSA-N 316.239 3.040 10 10 DGCE COC(=O)Cc1nc2cccc(C)n2c1N=Nc1ccccc1O 2320771763 SRIMOKAZTOLXMQ-UHFFFAOYSA-N 324.340 3.479 10 10 DGCE C[C@H]1CCCN(N=Nc2ccc(N3CCN(C)CC3)cc2)C1 2330216996 GLIICKOKEQGDTP-HNNXBMFYSA-N 301.438 3.169 10 10 DGCE CCCC1=NN(CC)C(=O)C1=Cc1ccc(OCC)c(OC)c1 2332124623 XJWZVIPVDCWKEP-UHFFFAOYSA-N 316.401 3.496 10 10 DGCE c1cc2c(cc1N1CCC[C@H](NC3CCCCC3)C1)OCO2 108114701 AMPOHZOEFVVSGS-HNNXBMFYSA-N 302.418 3.306 10 10 DGCE Cc1nc(Br)c(N(C)[C@@H](C)c2ccccc2O)n1C 2337246659 JBDXNNCYOMKHKR-VIFPVBQESA-N 324.222 3.394 10 10 DGCE O=Cc1cc(I)c2scc(O)c2c1 307713843 CSYJGGKLFZATHX-UHFFFAOYSA-N 304.108 3.024 10 10 DGCE CCCN1CCC(CN[C@H](C)c2cc(OC)ccc2O)CC1 185351181 RNCWXGNKVYLXBY-CQSZACIVSA-N 306.450 3.173 10 10 DGCE Cc1cc(C(=O)NCCc2ccc(O)c(O)c2)c(Cl)cc1F 122099405 OVIBORFBWCEKPP-UHFFFAOYSA-N 323.751 3.171 10 10 DGCE COc1cc(Cl)cc(CN2CCC(N3CCCC3)CC2)c1O 184678026 DRJWMXANUXKFFM-UHFFFAOYSA-N 324.852 3.114 10 10 DGCE Cc1ccc(C[C@@H](C)N(C)C(=O)c2ccc(C)c(O)c2O)cc1 182483535 GZQCVWHGOWFXIT-CQSZACIVSA-N 313.397 3.418 10 10 DGCE COC[C@H](C)N(C)Cc1c(O)ccc2oc3c(c12)CCCC3 193419406 QFTVUCHGXBGOMN-LBPRGKRZSA-N 303.402 3.484 10 10 DGCE C[C@@H]1c2ccsc2CCN1C(=O)CCc1ccc(N)cc1 40337476 KWEWLIVBYXREEI-GFCCVEGCSA-N 300.427 3.409 10 10 DGCE CCCN(CCCOCC(F)(F)F)c1ccc(CN)cc1 49312099 SQAAJGRUAKUIIK-UHFFFAOYSA-N 304.356 3.331 10 10 DGCE CC(=O)N(C(=S)Nc1cc(F)ccc1F)c1ccc(N)cc1 244054476 TVBLVOLBJZNOPM-UHFFFAOYSA-N 321.352 3.297 10 10 DGCE CN(C)c1ccc(CNC(=O)CC(C)(C)C(F)(F)F)cc1F 280126091 XHEIKOYZTCJMRB-UHFFFAOYSA-N 320.330 3.487 10 10 DGCE Nc1cccc(Br)c1N[C@H](CO)C1CCCCC1 700061456 IBEZFSZBGJYGJO-CYBMUJFWSA-N 313.239 3.384 10 10 DGCE O=[N+]([O-])c1cc(Cl)cc(CN[C@@H]2CCCC2(F)F)c1O 808431212 PLGKTADJCPLQBJ-SNVBAGLBSA-N 306.696 3.231 10 10 DGCE O=[N+]([O-])c1cc(CN2CC(C3CC3)C2)ccc1N1CCCCC1 812775213 JGTGZIWVDAZBRC-UHFFFAOYSA-N 315.417 3.427 10 10 DGCE CCc1cc(O)ccc1NS(=O)(=O)/C=C\c1ccccc1 588581287 JECGUDXFBNPRAK-KHPPLWFESA-N 303.383 3.367 10 10 DGCE C[C@H](NCc1nc(CN(C)C)cs1)c1ccc(N(C)C)cc1 903226667 PDSKGPFKWXSXJE-ZDUSSCGKSA-N 318.490 3.122 10 10 DGCE O=C(O)[C@@H]1CCCCCC[C@@H]1NCc1cc(F)cc(F)c1O 904005601 SMJYSRXDECSMRR-OCCSQVGLSA-N 313.344 3.184 10 10 DGCE COc1cccc(CNC(=O)/C=C\c2cc(C)cc(C)c2)c1O 588383939 YQIFGSWPOQBQCM-FPLPWBNLSA-N 311.381 3.347 10 10 DGCE CCc1ccc(/C=C\C(=O)N[C@H](C)c2cc(OC)ccc2O)o1 588468876 JXPFHXYQLXEVDU-VPUINMBXSA-N 315.369 3.447 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@@H](CO)c2cccc(F)c2)cc1 835038619 BZTQTIZFAVOTBC-HMECNJMJSA-N 314.404 3.228 10 10 DGCE OC[C@@H]1CCCN(Cc2cc(Cl)ccc2O)[C@@H]1C(F)(F)F 843413411 IBRMTTMBSCDBAJ-ZANVPECISA-N 323.742 3.181 10 10 DGCE C[C@H](NC(=O)c1nc2c(s1)CCC2)c1ccc(N(C)C)cc1 841186437 IZCXTZANNQXBAK-NSHDSACASA-N 315.442 3.189 10 10 DGCE Cc1cc(O)c(CNCc2ccc(CO)c(F)c2)c(Cl)c1 840883282 FPBDDMOQYYWULA-UHFFFAOYSA-N 309.768 3.275 10 10 DGCE COc1cccc([C@]2(C)CCN(C(=O)Cc3ccc(N)cc3)C2)c1 851645346 IQCIXVSGNILFOX-HXUWFJFHSA-N 324.424 3.010 10 10 DGCE Oc1cc(Br)ccc1CNC1C[C@H]2[C@H](C1)C2(F)F 691445013 NVJNATZSQFBOJA-QWRGUYRKSA-N 318.161 3.288 10 10 DGCE Cc1cncc(CCN[C@@H]2C[C@H](C)c3c(F)ccc(O)c32)n1 850549452 GSKMGXYLLKVWSZ-IINYFYTJSA-N 301.365 3.010 10 10 DGCE CO[C@H](C)[C@@H](C)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C 854529052 YPNHYFKOGMTDBD-GDBMZVCRSA-N 314.429 3.176 10 10 DGCE CCOc1ccc(CNCc2c(C3CCC3)cnn2C)c(O)c1 850391586 VLLPFABXOKSPKS-UHFFFAOYSA-N 315.417 3.082 10 10 DGCE CN(C)c1ccc(CN[C@@H]2c3ccccc3OC[C@@H]2F)cc1F 866247980 IWBCCIRSNACPTB-MAUKXSAKSA-N 318.367 3.453 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)CCCCCO)cc1 1135732921 LUMPMYTXISPCAJ-UHFFFAOYSA-N 306.450 3.044 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)c1ncc(Cl)cn1 1139123050 CJKXVLWNDPGOTK-UHFFFAOYSA-N 319.792 3.278 10 10 DGCE COc1ncc(CN(C)c2ccc(OC(C)C)cc2)c(C)n1 799168258 HZJNTDHBUOEWTJ-UHFFFAOYSA-N 301.390 3.217 10 10 DGCE C[C@H]1CC[C@@H](Nc2ccc(N)cc2)CN1C(=O)OC(C)(C)C 1959359587 MPSYZQCGDNTXQT-SWLSCSKDSA-N 305.422 3.469 10 10 DGCE Nc1ccc(Cn2cccc(OCc3ccccc3F)c2=O)cc1 57874923 FKUKSOODCUOZTA-UHFFFAOYSA-N 324.355 3.197 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@]2(CCN(CCN=[N+]=[N-])C2)C1 1962300690 RLSJPMORSDKWGZ-OAHLLOKOSA-N 309.414 3.020 10 10 DGCE COC(=O)c1ccc(F)c(CN(C)c2ccc(OC)cc2)c1 1171745666 ATQITDQPKNJUBU-UHFFFAOYSA-N 303.333 3.257 10 10 DGCE c1cc(N2CCCC2)ccc1CN1CC[C@H]([C@H]2CCCO2)C1 1331961682 ZFEUFWIYBXBCFQ-PKOBYXMFSA-N 300.446 3.288 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2sccc2OC(F)F)c1 1453646790 BOYSWCHBGAUJJE-UHFFFAOYSA-N 313.325 3.294 10 10 DGCE COc1c(OC(=O)Cc2ccc(O)c(O)c2)ccc2ccccc12 1468166076 ZILVHLJQHRJGTD-UHFFFAOYSA-N 324.332 3.408 10 10 DGCE Cc1cc(C)c2c(c1)N(C(=O)/C=C\c1cccnc1C)CCO2 1461333046 YIUSAGIGPQDQPM-SREVYHEPSA-N 308.381 3.446 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H]1[C@H]2CCC[C@H]21 1467516144 PKQHFTFUHJCMOM-MNZLEMJZSA-N 322.408 3.435 10 10 DGCE COc1ccc(N(C)C[C@@H]2CC[C@H](C(F)(F)F)O2)cc1F 1473251862 XWPDCSPFWKBXER-GXFFZTMASA-N 307.287 3.380 10 10 DGCE COc1ccc(CN[C@H](C)CCNC(=O)[C@@H](C)C2CC2)cc1C 1480758210 LNOJASOTVMGIMR-CABCVRRESA-N 318.461 3.034 10 10 DGCE O=Cc1cc(C(=O)N2Cc3cccc(O)c3C2)c(Cl)s1 1558036398 ZUDPGFSFHAUAKH-UHFFFAOYSA-N 307.758 3.076 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)NC[C@@]12CCCC[C@@H]1C2 1638438111 UBASNWSTUALNMP-WBMJQRKESA-N 308.809 3.425 10 10 DGCE C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)Cc1ccc(O)c(O)c1 1636974092 QAUZRERZJRHXIV-JSGCOSHPSA-N 305.418 3.314 10 10 DGCE Oc1cc2c(cc1CN1CCC(N3CCCC3)CC1)CCCC2 160227441 VXECXZFGMQLVOP-UHFFFAOYSA-N 314.473 3.331 10 10 DGCE Nc1ccc(NC(=O)CCOc2cccc(Cl)c2F)cc1 167073085 YUCGUXVTIZMICK-UHFFFAOYSA-N 308.740 3.469 10 10 DGCE Cc1ccc(Br)c(NCc2ccc(O)c(O)c2O)c1 226749164 QBQZCTIJTOYJAF-UHFFFAOYSA-N 324.174 3.486 10 10 DGCE C[C@H](N[C@H]1CC[C@H]1OCc1ccccc1)c1cc(O)ccc1O 1939573407 DWHWTZIIBZRZNV-SOVGHPHASA-N 313.397 3.496 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)O)C[C@@H]1c1ccccc1O 1952528857 HXGDICLMVSXUTH-DGCLKSJQSA-N 321.373 3.165 10 10 DGCE CP(C)(=O)[C@@H]1CC[C@H](NCc2ccc(F)c(F)c2O)C1 1973924410 LBLQGOZERZVUME-WDEREUQCSA-N 303.289 3.304 10 10 DGCE CC(C)(C)OC(=O)NC1(CCCNCc2ccc(N)cc2)CC1 1984523880 QCJRJVJPVVLEJV-UHFFFAOYSA-N 319.449 3.196 10 10 DGCE CCN[C@H](c1ccc(N(C)C)cc1)C(F)(F)Br 2000352761 MBEXJLJAUYXFBE-LLVKDONJSA-N 307.182 3.391 10 10 DGCE CCN(c1ccc([C@@H](C)O)c(Br)c1)C(C)(C)CO 688352092 RYNNPVAGKBLNBK-SNVBAGLBSA-N 316.239 3.100 10 10 DGCE CCc1cccc(CNC2[C@@H]3CN(Cc4ccccc4)C[C@@H]23)c1O 691479095 YXOSCHQTQNIOAO-RTBURBONSA-N 322.452 3.175 10 10 DGCE C[C@H]1C[C@H](CNCc2cc(Cl)cc(Cl)c2O)CN1C 396645130 OFHQNYGWNZDWQQ-VHSXEESVSA-N 303.233 3.129 10 10 DGCE CC(C)[C@@H]1COC[C@H]1N(C)c1cc(Cl)c(CN)cc1F 2177382888 GNBLRUJOSIJZFD-XHDPSFHLSA-N 300.805 3.045 10 10 DGCE C[C@H](O)c1ccc(N(C)Cc2c(Cl)ncn2C)cc1Cl 2168141877 QQQPXGCCQVHLMT-VIFPVBQESA-N 314.216 3.417 10 10 DGCE COc1ccc(Br)c(CN2CC[C@H](C)C2)c1O 1231550225 KRWJZKBWTKULTA-VIFPVBQESA-N 300.196 3.005 10 10 DGCE COc1ccc(Br)c(CN2CCC[C@@H]2CF)c1O 1231555748 RUZKZUFODNACEP-SECBINFHSA-N 318.186 3.097 10 10 DGCE CC[C@H](COC)N(C)c1ccc([C@@H](C)O)cc1Br 2047312911 SZSORXNATRJEIN-ZYHUDNBSSA-N 316.239 3.364 10 10 DGCE Cc1ccc(Br)c(CN2CCC[C@H](N=[N+]=[N-])C2)n1 2049902085 UFBATNKTQJLEEO-JTQLQIEISA-N 310.199 3.427 10 10 DGCE CNCc1ccc(N2CCC[C@H]2[C@@H](C)F)cc1Br 2060892138 AVZDWGUPCHZLEH-YGRLFVJLSA-N 315.230 3.495 10 10 DGCE CSc1ncc(CNC(=O)c2ccc(Cl)cc2O)s1 2269117950 CRWVHZUVUYABBF-UHFFFAOYSA-N 314.819 3.154 10 10 DGCE O=C1C(=C[C@@H]2CC=CCC2)SC(=S)N1C[C@H]1CCCO1 2296701109 RMUGCXRQFPCRGN-VXGBXAGGSA-N 309.456 3.266 10 10 DGCE Cc1ncsc1C=CC(=O)N1CCN(C)c2ccc(F)cc21 2310093303 BZMAYAXOIKCYMZ-UHFFFAOYSA-N 317.389 3.087 10 10 DGCE Oc1c(Br)cccc1CN[C@H]1C[C@@H]2C[C@H]1C[C@H]2F 2308606908 TWZXHQLPQMAQKE-DJIHRAIXSA-N 314.198 3.381 10 10 DGCE CCOc1cc(C=C2C(=O)N(C)N=C2c2ccccc2)ccc1O 2332094861 POSUABFRHUKEAK-UHFFFAOYSA-N 322.364 3.051 10 10 DGCE CC(=O)C[C@H](C)N(C)Cc1ccc(C)c(Br)c1O 2327611331 BSDNAEUFANEDEK-JTQLQIEISA-N 314.223 3.263 10 10 DGCE COc1ccc2c(c1)NC1(CCCCC1)CN2CCC(=O)O 76931072 IVSYQIYCJGHURD-UHFFFAOYSA-N 304.390 3.105 10 10 DGCE Cc1ccccc1S(=O)(=O)N(C)[C@@H](C)c1ccccc1O 88715992 WQNMWXBCGHBHRX-ZDUSSCGKSA-N 305.399 3.082 10 10 DGCE Cc1cc(=O)n2[nH]c(-c3sccc3-n3c(C)ccc3C)cc2n1 100565076 BGSMGRPUSYWWHJ-UHFFFAOYSA-N 324.409 3.467 10 10 DGCE CCc1ccc(/C=C/C(=O)N[C@@H](C)c2cc(OC)ccc2O)o1 127514800 JXPFHXYQLXEVDU-OANVXVOSSA-N 315.369 3.447 10 10 DGCE CCc1nc2n(n1)CCC[C@@H]2N[C@H](CC)c1ccccc1O 156315055 LPFBPTBDZMYJOP-KGLIPLIRSA-N 300.406 3.122 10 10 DGCE COc1cc(CN2CCC([C@H](C)O)CC2)c(O)c(C(C)(C)C)c1 164372592 QXRVHAGVDJBDDC-ZDUSSCGKSA-N 321.461 3.291 10 10 DGCE O=C(O)/C=C/c1ccc(N2CCSCC2)cc1C(F)(F)F 167411832 NKPFURMBNPAODL-DUXPYHPUSA-N 317.332 3.356 10 10 DGCE COc1cc(OC)cc(N(C)Cc2cccc(OC)c2O)c1 191681303 XFSDGDUSNNPIRT-UHFFFAOYSA-N 303.358 3.054 10 10 DGCE CCOc1cc(CNCCCOC)ccc1N1CCCCC1 212009443 CSWLVLRRYJFZCN-UHFFFAOYSA-N 306.450 3.202 10 10 DGCE Nc1nn2c(C(F)(F)F)cc(O)nc2c1N=Nc1ccccc1 254310277 SRYDOIJMJJLEJP-UHFFFAOYSA-N 322.250 3.451 10 10 DGCE CC[C@@H](NCCCN1CCCC1=O)c1cccc(Cl)c1O 286969329 NQPCVOHVNOQOEO-CQSZACIVSA-N 310.825 3.099 10 10 DGCE CCCCN(Cc1cc(COC)on1)Cc1ccccc1O 298113522 OMEHTOBJLUMCRD-UHFFFAOYSA-N 304.390 3.329 10 10 DGCE C[C@@H](Nc1cncc(Br)c1)c1cc(O)ccc1O 302316528 BTZNJBRLLMXKNM-MRVPVSSYSA-N 309.163 3.428 10 10 DGCE C[C@H](COCc1ccccc1)N[C@H](C)c1ccc(O)cc1O 390559422 KLLRCBWTYDZAJL-ZIAGYGMSSA-N 301.386 3.354 10 10 DGCE CO[C@H]1CC[C@H](C)N(Cc2c(O)cccc2Br)C1 687210034 WTSKJHFPFMANNL-QWRGUYRKSA-N 314.223 3.154 10 10 DGCE Oc1cc(Br)ccc1CNCC(F)(F)C(F)F 691441537 XYBDYZXCLSOJFG-UHFFFAOYSA-N 316.092 3.145 10 10 DGCE COC(=O)[C@@H](NCCCN=[N+]=[N-])c1cc2cscc2s1 693916254 DKQZXXLZUUXJMJ-NSHDSACASA-N 310.404 3.467 10 10 DGCE CN[C@@H](C)c1ccc(N2CC(C(F)F)C2)cc1Br 706446940 USBSVVIBMLYROJ-QMMMGPOBSA-N 319.193 3.431 10 10 DGCE CCc1cccc(CNC2CC(NC(=O)OC(C)(C)C)C2)c1O 709406487 LVVJLEUMQXMKHY-UHFFFAOYSA-N 320.433 3.100 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@@H]3[C@H](C2)C3(F)F)cc1Br 715487878 BVPBRSONGHRJRP-ONOSFVFSSA-N 317.177 3.170 10 10 DGCE CC1(C)CC(CS(=O)(=O)Nc2ccc(O)c(Cl)c2)C1 723787263 VONNJPZTCFOQKP-UHFFFAOYSA-N 303.811 3.224 10 10 DGCE COc1cc(C)cc(CN2CCC[C@@]3(CCCOC3)C2)c1O 754736212 INZUWIGAHCMAFV-GOSISDBHSA-N 305.418 3.102 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2C[C@H](C)O[C@H](C)[C@@H]2C)c1O 782630226 ZAKQSBGVDKLPPN-JBLDHEPKSA-N 311.809 3.246 10 10 DGCE C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)NCc2ccc(N(C)C)cc2)C1 788690284 HYTKCSUDOSMQSI-RBSFLKMASA-N 303.450 3.329 10 10 DGCE CO[C@H]1CCCC[C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2 815835833 HAXWFLKPJTVQND-YJBOKZPZSA-N 317.429 3.092 10 10 DGCE C[C@H](NCC1(N)C2CC3CC(C2)CC1C3)c1ccc(F)cc1O 817983364 ATJQBKSFJTVFNL-SYTRPRECSA-N 318.436 3.336 10 10 DGCE COc1ccc(N2CC[C@@H](NCC3(SC)CCC3)C2)cc1 826845061 DDDBTPMVXGOVFG-CQSZACIVSA-N 306.475 3.149 10 10 DGCE Cc1cc(CN2CC[C@@H](O)C2(C)C)ccc1N1CCCCC1 829974069 VPBZKDVHCKRJAP-GOSISDBHSA-N 302.462 3.331 10 10 DGCE O=C(C[C@@H]1CC[C@H]2C[C@@H]12)NCc1cc(Br)ccc1O 831932916 MFPKVJUJWDXHSH-OUJBWJOFSA-N 324.218 3.207 10 10 DGCE COC(=O)c1cnc(/C=C/c2ccc(N(C)C)cc2C)s1 840717231 OUUQZXXGGSFIOK-SOFGYWHQSA-N 302.399 3.475 10 10 DGCE CCO[C@@H]1C[C@@H](N[C@@H](C)c2ccc(N(C)C)cc2)[C@@H]1SC 842922708 CEVOLLDJNUUHDA-DXEWXGHRSA-N 308.491 3.312 10 10 DGCE O=C(O)CN(Cc1cc(-c2ccccc2)ccc1O)CC1CC1 844934361 CNMACJRJZZRNDP-UHFFFAOYSA-N 311.381 3.356 10 10 DGCE COC(=O)[C@H]1C[C@H](C)N(Cc2ccc(N(C)C)c(C)c2)[C@H](C)C1 860189865 MOFXPKJUPSSTBM-SCAQPMJSSA-N 318.461 3.223 10 10 DGCE Oc1c(F)cc(Cl)cc1CNC[C@@H]1Cc2ccccc2CO1 862435490 BJXBRHKEHLXVGN-HNNXBMFYSA-N 321.779 3.416 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2cnn(CC3CCCC3)c2)c1 869409914 GGLFUGRNJLIBCW-UHFFFAOYSA-N 313.401 3.017 10 10 DGCE O=C(c1cc2c(cc1O)CCCC2)N1Cc2cccc(O)c2C1 871203018 KFCHSWSJTPAYCN-UHFFFAOYSA-N 309.365 3.133 10 10 DGCE Oc1c(CN2CCO[C@H](C(F)F)CC2)ccc2ccccc12 872257048 JONQIJPFLDKYJI-HNNXBMFYSA-N 307.340 3.401 10 10 DGCE CC(C)(C)C(F)(F)CNC(=O)NCc1c(O)cccc1F 923342475 OUKKIJCXXITSFW-UHFFFAOYSA-N 304.312 3.012 10 10 DGCE O=C(NCc1cccc(Cl)c1O)NC1(C(F)(F)F)CCC1 1119811410 JHAJMADPCPJWCJ-UHFFFAOYSA-N 322.714 3.330 10 10 DGCE CC(C)n1cc(NC(=O)c2cc3cc(O)c(O)cc3s2)cn1 1144006304 MDVCWFTYFOANBY-UHFFFAOYSA-N 317.370 3.342 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)CCCOC(C)(C)C 1157101620 BWPNHKGLMLIOHC-UHFFFAOYSA-N 314.422 3.089 10 10 DGCE c1c[nH]c(C2CCN(Cc3ccc(N4CCCC4)cc3)CC2)n1 1320494771 YUXDGVGVJCCKQY-UHFFFAOYSA-N 310.445 3.390 10 10 DGCE CCOc1ccc(N2CCN(C[C@H]3CCO[C@@H](C)C3)CC2)cc1 1324795089 GJMKPDDKCJNHOE-IRXDYDNUSA-N 318.461 3.022 10 10 DGCE O=C(NCc1ccc(O)c(O)c1)c1ccc(F)c(C(F)F)c1 1445899617 HETODBUZXFUMRI-UHFFFAOYSA-N 311.259 3.105 10 10 DGCE COc1ccc2c(c1)C[C@H](C(C)C)CN2C[C@@H](O)C(F)(F)F 1473570047 NQTQHDUAIAGBNQ-SWLSCSKDSA-N 317.351 3.253 10 10 DGCE COc1ccc(CN[C@@H](C)[C@H](C)NC(=O)C(C)(C)C)cc1C 1485213802 CCRRAVYUPHEBSD-KBPBESRZSA-N 306.450 3.033 10 10 DGCE Cc1cc(CC(=O)N(C)C#N)c(C)n1-c1ccc(Cl)cc1 1517599740 KPCGFOVRBRAAMC-UHFFFAOYSA-N 301.777 3.230 10 10 DGCE CCc1ccc(F)cc1C(=O)NCc1cccc(OC)c1O 1545684145 LQSPDZHLPKUPNB-UHFFFAOYSA-N 303.333 3.032 10 10 DGCE CC(=O)c1ccc(C(=O)NCc2ccc3cccnc3c2O)cc1 1627069353 LEIFFKMAJCFPRN-UHFFFAOYSA-N 320.348 3.073 10 10 DGCE Cc1cc(-c2ncco2)ccc1NC(=O)c1cccc(O)c1O 1637548615 SSGOAFULAHKBPC-UHFFFAOYSA-N 310.309 3.314 10 10 DGCE O=C(c1cc(F)c2ncccc2c1)N1Cc2cccc(O)c2C1 1644088275 MWKXKAYCMYUPAV-UHFFFAOYSA-N 308.312 3.236 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2ccc(Cl)c(F)c2N)c1 1645805117 SLOCTIYHDSXXMN-UHFFFAOYSA-N 308.740 3.005 10 10 DGCE O=C(NC/C=C\c1ccccc1)NCc1c(O)cccc1F 1684421737 RLWMRTDOBNKCSQ-YVMONPNESA-N 300.333 3.044 10 10 DGCE CCN[C@H](c1ccccc1O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 1936987148 PMOVARUPSGZNNR-BBRMVZONSA-N 320.433 3.300 10 10 DGCE COc1ccc(N(C)[C@@H]2CC[C@@H]2OCc2ccccc2)c(N)c1 1939610501 JLOHIOCSEZEXED-MOPGFXCFSA-N 312.413 3.461 10 10 DGCE NCc1ccc(N2CC(OCc3ccccc3)C2)cc1Cl 1955632228 WJDPNFVFBLNZSY-UHFFFAOYSA-N 302.805 3.204 10 10 DGCE C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(CCCN=[N+]=[N-])C1 1962304123 LQYXYWMDZIUJCA-OLZOCXBDSA-N 311.430 3.312 10 10 DGCE C[C@H]1CC[C@H](CCNCc2ccc(Br)cc2O)O1 1965985569 SJLJRHDOUXNKCG-GXFFZTMASA-N 314.223 3.202 10 10 DGCE COc1ccc(Br)c(CN[C@H]2C[C@H](CF)C2)c1O 1967914330 HJNAJQVWQWHQJI-KYZUINATSA-N 318.186 3.001 10 10 DGCE C[C@@H]1OCC[C@@H]1CCNCc1cc(Br)ccc1O 1972154914 FZRLJNXTIIKUAB-QWRGUYRKSA-N 314.223 3.059 10 10 DGCE COc1ccc(Br)c(CN[C@]2(C)C[C@H]2C)c1O 1973063756 HIFMYCAPULHKJM-AMIZOPFISA-N 300.196 3.051 10 10 DGCE CC(C)(CO)N(Cc1ccccc1)c1ccc2c(c1)CC[C@@H]2N 1986602351 FXQCSMNDDIUSSH-IBGZPJMESA-N 310.441 3.410 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](Oc3ccc(N)cc3)C[C@H]2C1 1992496304 KTCLDWDUNFVNGT-YWVIFJGQSA-N 318.417 3.293 10 10 DGCE Cc1cc(N2CC=C(Br)CC2)ccc1C[C@H](C)N 2031536001 WOJKXMSJOXNQAD-LBPRGKRZSA-N 309.251 3.374 10 10 DGCE CN(Cc1c(O)cccc1Br)C1(C)CCOCC1 2054618970 ILPUCIIDXVORFJ-UHFFFAOYSA-N 314.223 3.156 10 10 DGCE Oc1ccc(-n2cc(Br)c(CC3CCC3)n2)cc1O 2069822853 SDUYYGRHDBWADI-UHFFFAOYSA-N 323.190 3.389 10 10 DGCE COc1ccc(Cn2nc(-c3ccccc3)cc2C=O)c(O)c1 2070047504 SNJPWWIXQJSFBZ-UHFFFAOYSA-N 308.337 3.125 10 10 DGCE CCOC(=O)[C@H](NCCN=[N+]=[N-])c1cc(C)c(Cl)s1 2109072621 FNHGQSYQBFQDIE-SECBINFHSA-N 302.787 3.214 10 10 DGCE OCc1ccc(N2CCS[C@@H]3CC[C@H]32)c(C(F)(F)F)c1 2152207721 RSSAWJJVZIKYAQ-CHWSQXEVSA-N 303.349 3.282 10 10 DGCE C[C@H](N)c1ccc(N2CCS[C@H]3COCC[C@@H]32)cc1Cl 2170485885 HBAHKDDKIYQFNT-LKTVYLICSA-N 312.866 3.070 10 10 DGCE CC(C)[C@@H]1CN(c2cc(Cl)c(CN)cc2F)CCCO1 2177382178 XCQHCXNAADSGST-HNNXBMFYSA-N 300.805 3.189 10 10 DGCE O=C(O)C=Cc1ccc(N2Cc3ncsc3C2)c(Cl)c1 2201421136 VQGJBJXNQAKSHL-UHFFFAOYSA-N 306.774 3.415 10 10 DGCE C[C@](NCCN=[N+]=[N-])(C(=O)O)c1cc(Cl)cc(Cl)c1 2229558075 BFFSSKHSXAGWEA-LLVKDONJSA-N 303.149 3.193 10 10 DGCE C[C@@H](N)c1cc(F)c(N(C)C2CSCCSC2)c(F)c1 2237079456 WUWTWDTWOLWTDQ-SECBINFHSA-N 318.458 3.269 10 10 DGCE CN(C[C@H](O)COCc1ccccc1)c1ccc(OCF)cc1 2246154381 VHHRSZHQFOYVNQ-KRWDZBQOSA-N 319.376 3.006 10 10 DGCE COC1(CSc2ncc(C[C@H](C)N)s2)CCCCC1 2265544119 CLHMTVBQJGPFSI-NSHDSACASA-N 300.493 3.474 10 10 DGCE Cc1cc(Br)cnc1C(=O)N1CCC(N=[N+]=[N-])CC1 2269731634 GMEVHUCJPMDUSB-UHFFFAOYSA-N 324.182 3.067 10 10 DGCE CNc1ccc(C(=O)NCc2cnc(SC)s2)c(C)c1 2284720251 AHWPUWJPUDFKDN-UHFFFAOYSA-N 307.444 3.145 10 10 DGCE Oc1c(F)cc(Br)cc1CNC[C@H]1CC[C@@H]2C[C@H]12 2308138301 RSKXIWRRQFRYLB-LNLATYFQSA-N 314.198 3.430 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@@H]3C[C@H]2[C@H]2C[C@@H]23)c(Br)c1 2308724176 CTWIJFZGOBJDKG-VXIBMCHESA-N 307.235 3.313 10 10 DGCE CC1=NN(c2ccccc2)C(=O)C1=C(C)NCCCOC(C)C 2313682176 WXJDHQFLNYEPLY-UHFFFAOYSA-N 315.417 3.088 10 10 DGCE CCCC1=NN(CCC)C(=O)C1=Cc1ccc(OC)c(O)c1 2332100212 WLGNKDCJAKEBMQ-UHFFFAOYSA-N 302.374 3.193 10 10 DGCE CCN1N=C(c2ccccc2)C(=Cc2cccc([N+](=O)[O-])c2)C1=O 2332134577 LJLOUELSDIYEPO-UHFFFAOYSA-N 321.336 3.245 10 10 DGCE COc1ccnc(NCc2ccc(C)c(Br)c2O)c1 2352639571 ZWTAIDHGPUPIJX-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE COc1cc(Cl)c(N(C)[C@@H](CO)C(C)(C)C)c(OC)c1 2368117764 NMEBACSMOWRLFE-ZDUSSCGKSA-N 301.814 3.200 10 10 DGCE Cc1cc2c(NCc3ccc(N4CC=CC4)cc3)nccn2n1 302562927 MCVAWMBLGHHBGU-UHFFFAOYSA-N 305.385 3.026 10 10 DGCE CCO[C@@H]1C[C@@H](N[C@@H](C)c2ccc(C)cc2O)C12CCOCC2 186305022 XBFRXRIDNGRXCA-BMGDILEWSA-N 319.445 3.325 10 10 DGCE Nc1ccc(OCC(=O)N2CCC[C@@H]2c2ccsc2)cc1 40327237 RRDOJLBIZZIZTN-OAHLLOKOSA-N 302.399 3.073 10 10 DGCE CC[C@@H](Oc1ccc(N)cc1)C(=O)c1cc(OC)ccc1OC 40353863 NXXPPFLCHSALLS-MRXNPFEDSA-N 315.369 3.326 10 10 DGCE Cc1ccc2sc([C@H](N)Cc3ccc(O)c(O)c3)nc2c1 40225918 LYSFMVVYOIBNGF-LLVKDONJSA-N 300.383 3.258 10 10 DGCE CC[C@@H]1CCCN1c1ccc(CN)c(Br)c1F 231839219 QFIICMIQFMDYMX-SNVBAGLBSA-N 301.203 3.426 10 10 DGCE [N-]=[N+]=NCCCN[C@@H](C(=O)O)c1cccc(Cl)c1Cl 90259106 VFCIZGPJFNPASB-SNVBAGLBSA-N 303.149 3.409 10 10 DGCE CCCN(c1ccc(CN)cc1)[C@@H]1[C@H]2CCO[C@H]2C12CCC2 248991559 NNMWSABKNLREGW-KZNAEPCWSA-N 300.446 3.319 10 10 DGCE CC(C)c1noc(NCc2cc(Br)ccc2O)n1 804828634 UNEQNDZBFZJQLC-UHFFFAOYSA-N 312.167 3.273 10 10 DGCE CN(Cc1ccc(Cl)cc1O)C[C@H]1COCCC1(F)F 2166668834 XINNUNXHZHAFIR-NSHDSACASA-N 305.752 3.149 10 10 DGCE C=C/C(C)=C\CC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 819586572 ADLGWRIMSSUPFF-DNBBOTNYSA-N 314.429 3.160 10 10 DGCE CC(=O)c1cc(Cl)cc(Cn2cc(C3CCC3)nn2)c1O 900495640 KWUXNFQSPMQYKL-UHFFFAOYSA-N 305.765 3.156 10 10 DGCE Cc1ccn2cc(CNCc3c(O)cccc3Cl)nc2c1 733326858 GOTSQZCRALYYAR-UHFFFAOYSA-N 301.777 3.292 10 10 DGCE COc1cccc([C@@H](C)N[C@H](CO)CCc2ccccc2)c1O 903288130 KHEZXIOEUCJHGB-ZBFHGGJFSA-N 315.413 3.045 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCC3(CCOCC3)C2)cc1 835028303 LVSIJBNQAPSYQW-ONEGZZNKSA-N 300.446 3.268 10 10 DGCE CCc1cccc(CN[C@@H](c2nnc3ccccn23)C(C)C)c1O 848899111 CDXOJKRMACKCPM-QGZVFWFLSA-N 324.428 3.484 10 10 DGCE O=C(NCCCSc1nccs1)N1CCC[C@H]1C1CC1 759601346 IFUJPOPJRNPEIE-LBPRGKRZSA-N 311.476 3.209 10 10 DGCE C[C@@H]1C[C@@H](N[C@@H]2CCCn3nccc32)c2c(O)ccc(F)c21 866634498 ROYHNIAZFLXLCE-RAIGVLPGSA-N 301.365 3.401 10 10 DGCE CCO[C@@H](C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)C(C)C 862002514 UBBTUSGNHNIJKA-MAUKXSAKSA-N 320.477 3.169 10 10 DGCE CC[C@@H](C[C@@H](C)O)NCc1cc(OC)cc(C(C)(C)C)c1O 865876040 HPPUVIRSKRMTMJ-OCCSQVGLSA-N 309.450 3.337 10 10 DGCE Fc1cc(CN2CCCC3(CC2)CC3)ccc1N1CCOCC1 862539805 VWNTWIMQWBFTLY-UHFFFAOYSA-N 318.436 3.428 10 10 DGCE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H]2[C@H](N)c1ccccc1O 1895240891 GAGCPRWFPAORMO-OEYIWLLWSA-N 318.417 3.180 10 10 DGCE C[C@@H](NCC(=O)Nc1ccccc1F)c1ccc(N(C)C)cc1 775832760 BNBRELNJYVTYQM-CYBMUJFWSA-N 315.392 3.181 10 10 DGCE C[C@@H]([C@H]1Cc2ccccc2O1)N(C)Cc1cc(F)ccc1O 779035395 ZJAZMWONOHSJQV-KPZWWZAWSA-N 301.361 3.355 10 10 DGCE CN(C)c1ccc(CN2CCC[C@H](OC(F)F)C2)cc1F 781533027 WTVWDMCDXDYAHY-LBPRGKRZSA-N 302.340 3.095 10 10 DGCE COc1ccc(N(C)CCN(C)Cc2ncc(C(C)C)[nH]2)cc1 895136671 FPLYCFKIBAYXGS-UHFFFAOYSA-N 316.449 3.110 10 10 DGCE CC(C)N(CC(F)F)C(=O)c1cc2cc(O)c(O)cc2s1 897064046 JUXKCXWHMMTESO-UHFFFAOYSA-N 315.341 3.428 10 10 DGCE CO[C@H]1CCCC[C@@H]1NCc1cc(Cl)cc([N+](=O)[O-])c1O 799352654 ZZSQBESJAQEFDN-AAEUAGOBSA-N 314.769 3.001 10 10 DGCE C[C@@H]1CNc2cc3c(cc2N1CCc1cccs1)OCO3 76971675 PBZHWCLIDAVRGE-LLVKDONJSA-N 302.399 3.340 10 10 DGCE O=S(=O)(Nc1ccc(O)c(F)c1)c1ccc(Cl)s1 85201005 XWENEUBQPSVKNR-UHFFFAOYSA-N 307.755 3.047 10 10 DGCE Cc1cc(Br)nc(NCCc2ccc(O)c(O)c2)c1 1894464960 WTEVHYIMXSNOIV-UHFFFAOYSA-N 323.190 3.218 10 10 DGCE CC[C@@H](NC1CSC1)c1cc(Br)ccc1O 706452111 NQGNVIFYFONGDP-LLVKDONJSA-N 302.237 3.311 10 10 DGCE CCNC[C@H]1CCN1c1ccc(OC(F)(F)F)cc1Cl 699643327 JKYDHRLQYNNOLJ-SECBINFHSA-N 308.731 3.427 10 10 DGCE COc1ccc(CN[C@H](C)[C@H](C)NC(=O)C2=CCCC2)cc1C 1282114632 UNPMZNCXYKYJFS-CABCVRRESA-N 316.445 3.097 10 10 DGCE CO[C@@H](C)CC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C 1531612515 RSAWETSOFLDOPX-HNNXBMFYSA-N 314.429 3.444 10 10 DGCE COCc1ccccc1NC(=O)c1ccc(N=NC(N)=O)cc1 1624796581 IWMJLYFBRBMYEK-UHFFFAOYSA-N 312.329 3.248 10 10 DGCE CCn1cc(C(=O)N[C@@H](C)c2ccccc2O)c(C(C)C)n1 1635798861 FNMZJLLGQHGHTJ-LBPRGKRZSA-N 301.390 3.223 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCC[C@@H]1c1ccccc1 1642660641 IKDKQGNSDRROQR-HZPDHXFCSA-N 311.381 3.093 10 10 DGCE Cc1cc(C)cc(NS(=O)(=O)c2cccc3nsnc23)c1 14255435 PFZGVQLYZYCPTD-UHFFFAOYSA-N 319.411 3.109 10 10 DGCE CC(C)(C)OC(=O)N1CCN(/N=N/c2ccccc2F)CC1 1860482411 HTKMWBDSAORZDA-ISLYRVAYSA-N 308.357 3.377 10 10 DGCE C[C@H]1C[C@H](NCc2ccc(N)cc2)CN(C(=O)OC(C)(C)C)C1 1923149292 FMFZLPGAMMXSNX-BBRMVZONSA-N 319.449 3.004 10 10 DGCE [N-]=[N+]=NC1CN(C(=O)c2cscc2OCc2ccccc2)C1 1934837959 DYVURPSQPUMODX-UHFFFAOYSA-N 314.370 3.462 10 10 DGCE CC(C)(C)OC(=O)Nc1ccc(O)c([C@@H]2NCCCCC2=O)c1 1952528262 QCIYFOOKXVIKLH-HNNXBMFYSA-N 320.389 3.123 10 10 DGCE Oc1c(F)cccc1CNCc1csc(C(F)(F)F)n1 1973054594 RASPLIUGFRAWOK-UHFFFAOYSA-N 306.284 3.296 10 10 DGCE C[C@@H](N)c1ccc(N2CCC[C@H]2CF)cc1Br 2004420530 QJMXDNNBTKPUEV-KOLCDFICSA-N 301.203 3.407 10 10 DGCE C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@]1(N)c1ccccc1O 1988844370 VVJNVYZWQPJHOS-SCLBCKFNSA-N 320.433 3.213 10 10 DGCE CN[C@@H](C)c1cc(F)c(N(CCO)Cc2ccccc2)c(F)c1 1990441460 BDNLMDJGVBLZAD-ZDUSSCGKSA-N 320.383 3.244 10 10 DGCE NCc1ccc(N2CC[C@H]3CCC[C@H]32)c(F)c1Br 386105650 SFSYRFDTGGOACF-MWLCHTKSSA-N 313.214 3.426 10 10 DGCE CCN[C@@H](C)c1ccc(N(C)Cc2cnns2)cc1Cl 400038960 YEWDOARWQFQQBE-JTQLQIEISA-N 310.854 3.498 10 10 DGCE C[C@H]1CN(c2ccc(OC(F)(F)F)cc2Cl)C[C@H]1CN 2169441811 PSIUKMWXQYMGPZ-DTWKUNHWSA-N 308.731 3.270 10 10 DGCE CC(C)OC[C@H]1CCN(c2cc(Cl)c(CN)cc2F)C1 2177391075 YMWGMIYRTHOWRZ-NSHDSACASA-N 300.805 3.189 10 10 DGCE COc1cccc(O)c1[C@H](C)n1nc(C2CC2)cc1CN(C)C 2070153129 OYXAKMXANBCJIY-LBPRGKRZSA-N 315.417 3.146 10 10 DGCE COc1ccc([C@@H](C)n2nc(-c3ccccc3)cc2CO)c(O)c1 2070172035 NUTZKSPIDLFARO-CYBMUJFWSA-N 324.380 3.366 10 10 DGCE Cc1ccc([C@@H](C(C)C)n2nc(C(C)C)c(N)c2N)c(O)c1 2078980382 DAGUPPKEDTXZKO-MRXNPFEDSA-N 302.422 3.430 10 10 DGCE CN[C@@H](c1ccc2c(c1)CCCN2C)[C@@H]1CSCCS1 2163096274 HRQARQOJWWLPOZ-HOTGVXAUSA-N 308.516 3.178 10 10 DGCE CO[C@H]1CC[C@H]1CCNCc1cc(Br)ccc1O 2066823233 AKKLLPIBQXMUKT-HZMBPMFUSA-N 314.223 3.059 10 10 DGCE CCNCc1ccc(N(C)CC2(Br)CC2)cc1C 2076245801 PZEXRXGULGJPFB-UHFFFAOYSA-N 311.267 3.468 10 10 DGCE CN[C@@H](C)c1ccc(N(C)Cc2cocn2)cc1Br 2104098049 MJURMEBHBFVJKI-JTQLQIEISA-N 324.222 3.354 10 10 DGCE CO[C@@H]1C[C@@H](C)CN(Cc2cc(Br)ccc2O)C1 2085097005 AUJPOGNDCMFQSG-ZWNOBZJWSA-N 314.223 3.012 10 10 DGCE Cc1cccc(CNC(=O)c2c(Cl)cncc2Cl)c1O 2235964398 SOHRXUJPUTVPRW-UHFFFAOYSA-N 311.168 3.332 10 10 DGCE CC(=O)Nc1ccc(N2N=C(C)C(=Cc3ccccc3)C2=O)cc1 2297366117 KJQCHRWJXANNAQ-UHFFFAOYSA-N 319.364 3.451 10 10 DGCE C[C@@H](NC(=O)C=Cc1ccc(O)c(O)c1)[C@@H]1C[C@H]2CC[C@H]1C2 2307982207 SVJZMSYVKSULNK-UNQGMJICSA-N 301.386 3.052 10 10 DGCE C[C@H](N)c1ccc(N2C[C@@H]3C[C@H]2[C@@H]2C[C@@H]32)cc1Br 2308721221 UTWDGEGATVKERC-MSPKKARQSA-N 307.235 3.313 10 10 DGCE COCCN(CCOC)N=Nc1cccc(OC(F)(F)F)c1 2330242686 IDVLYFJFZXSOPG-UHFFFAOYSA-N 321.299 3.179 10 10 DGCE CN1N=C(c2ccccc2)C(=Cc2cn(C)c3ccccc23)C1=O 2332128875 MQAXLPYQAQHKLU-UHFFFAOYSA-N 315.376 3.438 10 10 DGCE Oc1cc(Br)ccc1CN[C@@H]1CCc2cccnc21 2337872354 ZMCCYLVEVYXEOW-CYBMUJFWSA-N 319.202 3.327 10 10 DGCE Nc1ccc(N2CCN(Cc3cccc(Cl)c3)C2=O)cc1 54404988 WYPQQTZIOZKSMD-UHFFFAOYSA-N 301.777 3.364 10 10 DGCE COC(=O)Cc1nc2c(C)cccn2c1/N=N\c1ccccc1O 71581861 IIEKTJFRINOCHP-VXPUYCOJSA-N 324.340 3.479 10 10 DGCE CSCCCCNC(=O)N(C)Cc1ccc(N(C)C)cc1 77792523 PKPJJUVKGGWYNJ-UHFFFAOYSA-N 309.479 3.037 10 10 DGCE CNCc1ccc(OC)c(C[S@@](=O)c2ccc(C)cc2)c1 82002845 WUZGCPKRBBNXGX-NRFANRHFSA-N 303.427 3.031 10 10 DGCE CC(C)(C)C[C@H]1C[C@H](N)CN(c2ccc3c(c2)OCCO3)C1 108216993 PUIMIKHLGIJTQL-KGLIPLIRSA-N 304.434 3.048 10 10 DGCE CCc1nccn1[C@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 122830000 UISHYSQPEFANLC-SFHVURJKSA-N 312.461 3.349 10 10 DGCE COc1cccc(CNC(=O)/C(C)=C/c2ccc(F)cc2)c1O 155454326 WPAXTIWQCBGKMP-ZRDIBKRKSA-N 315.344 3.260 10 10 DGCE CC[C@@H]1CN(c2c(F)cc(/C=C/C(=O)O)cc2F)CCS1 157822542 TTYJZTYAAHXWRW-PGLGOXFNSA-N 313.369 3.394 10 10 DGCE Cc1ccc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c(O)c1O 179409596 HOGYCNUBOLDBSV-ZJUUUORDSA-N 317.307 3.257 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@@H]2CCCC[C@@H]2n2cccn2)c1 185627930 DRIIXEFLHLYROU-XKQJLSEDSA-N 315.417 3.432 10 10 DGCE CCOc1cc(CNC[C@H]2CCCO2)ccc1N(CC)CC 211970017 LJXJLTKAUXCHTC-MRXNPFEDSA-N 306.450 3.200 10 10 DGCE Cc1ccc(Br)cc1NC(=O)c1ccc(O)c(O)c1 226955273 VIRHJLPXMXDQCS-UHFFFAOYSA-N 322.158 3.421 10 10 DGCE O=C(/C=C\c1cccc2cccnc12)N1CCc2cnccc21 254944810 RKLOIFSWHMJRSY-SREVYHEPSA-N 301.349 3.232 10 10 DGCE Cc1ccc([C@H](C)NCCNC(=O)c2ccccc2)c(O)c1C 273620673 YYMGMLNMMYICFG-HNNXBMFYSA-N 312.413 3.090 10 10 DGCE O=Cc1cccc2sc(I)c(O)c12 307278401 UJRRXUWVZQFHRY-UHFFFAOYSA-N 304.108 3.024 10 10 DGCE O=C1CCN(C/C=C/c2ccccc2[N+](=O)[O-])c2ccccc2N1 356336485 GOUPAPBQUMVIQG-FNORWQNLSA-N 323.352 3.457 10 10 DGCE CN(Cc1ccccc1)CC(C)(C)NCc1cccc(O)c1O 379616900 DFQYPAXILMAFBF-UHFFFAOYSA-N 314.429 3.098 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@@H]1C[C@H]2CC[C@H]1O2 381671578 QOLXIBQSFYSPBG-RLCGTCKNSA-N 302.201 3.356 10 10 DGCE NCc1ccc(N2C[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2)c(Br)c1 388972505 WDLMGPNCORCAAN-IGQOVBAYSA-N 321.262 3.390 10 10 DGCE Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2Cl)c(F)c1 404916514 PWUXAHSLKWORFS-UHFFFAOYSA-N 315.753 3.294 10 10 DGCE C[C@]1(CN[C@@H]2CCc3cccc(O)c32)COc2ccccc2O1 527927454 GNLOSHRLZKWQND-KUHUBIRLSA-N 311.381 3.199 10 10 DGCE C[C@@H]1CCCN(C(=O)c2ccnc3c2CC(=O)N3)c2ccccc21 613488821 QXEYNSQMNBLLLI-GFCCVEGCSA-N 321.380 3.120 10 10 DGCE COc1ccc(N(C)C[C@H](N)[C@@H](C)OCc2ccccc2)cc1 706064477 SSTKOFDIGHELDA-BEFAXECRSA-N 314.429 3.064 10 10 DGCE CC(C)(C)[C@H](N)[C@H](N)c1ccc(OCc2ccccc2)cc1O 713742071 LVRIRQDFIDNPKW-QZTJIDSGSA-N 314.429 3.344 10 10 DGCE CN1CCC(C)(NCc2cc(Cl)cc(Cl)c2O)CC1 714926268 XAHYPSQKBPTKFX-UHFFFAOYSA-N 303.233 3.273 10 10 DGCE Cc1ccc([C@H]2CCN(C(=O)/C=C\c3ccc(O)c(O)c3)C2)cc1 753199794 QHWOWZKXSOXTSQ-OOYWPUHTSA-N 323.392 3.436 10 10 DGCE O=[N+]([O-])c1c(F)cccc1NNC(=S)Nc1ccc(F)cc1 790608509 MNJUMKFZHGBUDU-UHFFFAOYSA-N 324.312 3.187 10 10 DGCE COc1ccccc1-c1ncc(CNCc2ccccc2O)cn1 813772135 UFEOIAOXKHZUAD-UHFFFAOYSA-N 321.380 3.148 10 10 DGCE Cc1cncc(/C=C\C(=O)N2CCc3c(F)ccc(F)c32)c1 814425705 FWZCJAGMMSKUBJ-DJWKRKHSSA-N 300.308 3.271 10 10 DGCE CO[C@@H]1C[C@@H]2C[C@H](NCc3ccc4c(c3)CCCN4C)C[C@@H]2C1 818330182 PDUACIKXCWVXLC-QGFMHUBQSA-N 314.473 3.362 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)/C=C/c1cccnc1C 825981580 VUFLLOUNLDXVAO-CSKARUKUSA-N 309.413 3.094 10 10 DGCE C[C@@]12COC[C@H]1CN(Cc1ccc(N3CCCCC3)cc1)C2 827283660 RCCOIDZHAKYQNJ-IEBWSBKVSA-N 300.446 3.145 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CC[C@@H]2C[C@H]2C1 827631752 QDELGGGYLBAYHP-QLFBSQMISA-N 314.429 3.259 10 10 DGCE C[C@H](N[C@@H]1CCn2ccnc21)c1cc(Br)ccc1O 834831391 JJIHYLOAUDEJNQ-JOYOIKCWSA-N 322.206 3.147 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCC([C@@H]3CCCN3)CC2)cc1 843043654 ATECCGBFYCKNLD-FBQMEGEOSA-N 313.489 3.230 10 10 DGCE CC1=CC[C@@](C)(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)CC1 852791547 JBCABPGSXSKPGQ-IEBWSBKVSA-N 315.461 3.005 10 10 DGCE C[C@H]1CN(Cc2cc3c(cc2O)CCC3)C[C@@](C)(C(F)F)O1 853631371 VPOZQLRBGIWJED-GTNSWQLSSA-N 311.372 3.125 10 10 DGCE COc1cccc([C@@H]2C[C@H]2C(=O)N2Cc3cccc(O)c3C2)c1 871205729 KLNJBYANMKHUKT-JKSUJKDBSA-N 309.365 3.047 10 10 DGCE COc1cccc([C@H](C)N[C@@H](CO)CCc2ccccc2)c1O 903292689 KHEZXIOEUCJHGB-GOEBONIOSA-N 315.413 3.045 10 10 DGCE Cc1ccc([C@@H](C)NCC[C@@H](N(C)C)C(F)(F)F)c(O)c1 926959024 AINKUILQSXSWPW-BXUZGUMPSA-N 304.356 3.234 10 10 DGCE Cc1ccc(O)c(CNC(=O)N[C@H]2CCSC3(CCC3)C2)c1 927282391 XYEHYRMKXWHINB-AWEZNQCLSA-N 320.458 3.318 10 10 DGCE CCN(CC)c1ccc(CN2OCC(C)(C)C2=O)c(Cl)c1 1084652403 FNLZVTCVOOHQKH-UHFFFAOYSA-N 310.825 3.486 10 10 DGCE CCN(C[C@H]1CC2(CCC2)CO1)c1ccc(OC)c(OC)c1 1307573348 GTQWHPNLMZBQNX-OAHLLOKOSA-N 305.418 3.489 10 10 DGCE CCOc1ccc(N2CCN(C(=O)[C@H]3C[C@@H]3C(C)C)CC2)cc1 1320679170 IECDUWFJFDUDQR-MSOLQXFVSA-N 316.445 3.026 10 10 DGCE Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCC(C)(C)[C@]1(O)CCOC1 1326216903 XPLAJGDCCICXBS-TYILLQQXSA-N 319.445 3.016 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)[C@H]2CCC[C@@H](C)C2)cc1 1527594694 DSDGNIXAOSLNEY-CVEARBPZSA-N 318.461 3.416 10 10 DGCE CSCCCN(C(=O)/C=C\c1cccnc1)c1cccnc1 1533740239 MRNIFDCYUVIPRZ-FPLPWBNLSA-N 313.426 3.276 10 10 DGCE O=C(NCc1cccc(O)c1O)c1ccc(C(F)(F)F)s1 1593739198 JILQQGXWFXKYJS-UHFFFAOYSA-N 317.288 3.108 10 10 DGCE CC(C)[C@H]1C[C@H](N2CCCC2)CN1Cc1ccc(N(C)C)cc1 1648591426 LDGVNOFIRZHVHX-VQTJNVASSA-N 315.505 3.447 10 10 DGCE O=C1/C(=C\c2ccc[nH]2)SC(=S)N1c1ccccc1O 1860086640 XSINCMDJQULODC-XYOKQWHBSA-N 302.380 3.126 10 10 DGCE CC(C)(C)OC(=O)NCc1c(O)cccc1Br 1887522950 GBTYXQYGAKGVAI-UHFFFAOYSA-N 302.168 3.179 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1CCCN2CCCN=[N+]=[N-] 1894112979 MLGSBRGZBLETCF-CHWSQXEVSA-N 309.414 3.161 10 10 DGCE O=C(O)C=Cc1ccc(N2CC=CCC2)c(Br)c1 1912020972 XNZPYQBYKWMSSB-UHFFFAOYSA-N 308.175 3.313 10 10 DGCE CC(C)(C)OC(=O)N1CCC(=O)[C@@H]1CCCc1ccc(N)cc1 1952755690 URLBDELFLHUJBJ-HNNXBMFYSA-N 318.417 3.170 10 10 DGCE Cc1cc(NS(=O)(=O)c2cccc(Cl)c2)cc(C)c1O 1963036292 KJKWMHIYMYBEIV-UHFFFAOYSA-N 311.790 3.463 10 10 DGCE Oc1cccc(Br)c1CN1CC[C@@H](CCF)C1 1969947407 NTNPSWXQOAYBAT-SNVBAGLBSA-N 302.187 3.336 10 10 DGCE Cn1cnc(Cl)c1CNCc1cc(Cl)cc(Cl)c1O 1972542398 CTRNFMWQPCITSZ-UHFFFAOYSA-N 320.607 3.376 10 10 DGCE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)c1ccc2c(c1)CCCN2C 1977935614 PWHBXGYMSPBUPB-LRDDRELGSA-N 320.433 3.016 10 10 DGCE CN(C)CCN(Cc1ccccc1)c1ccc2c(c1)CC[C@@H]2N 1986602420 HHSKZGXOIPZZSW-FQEVSTJZSA-N 309.457 3.201 10 10 DGCE CCN[C@@H](c1nc(Br)cs1)c1ccccc1O 2000385959 WJXKTRNNYKHHLS-LLVKDONJSA-N 313.220 3.310 10 10 DGCE Oc1c(F)cc(Br)cc1CNC[C@@H]1[C@H]2CCC[C@H]21 2032738502 DIVLNMCMGRRWEV-GDNZZTSVSA-N 314.198 3.430 10 10 DGCE CC[C@@H](O)CN(CC)c1ccc([C@H](C)N)cc1Br 2044554654 OLBOGILWTGOPSV-CMPLNLGQSA-N 315.255 3.066 10 10 DGCE CC(C)c1cc(=NCc2cccc(O)c2O)[nH]c(C(C)C)n1 2062449055 PXJCZILIDPZVTR-UHFFFAOYSA-N 301.390 3.169 10 10 DGCE CCc1cc(C(=O)OC(C)(C)C)n(Cc2cc(C)ccc2O)n1 2070024909 BAAYXKPKZHKKQG-UHFFFAOYSA-N 316.401 3.463 10 10 DGCE CNCc1cc(C2CCCC2)nn1Cc1cccc(F)c1O 2070087011 NMEQBWSXWNUGNE-UHFFFAOYSA-N 303.381 3.153 10 10 DGCE [N-]=[N+]=NCC1(CNC(=O)Cc2ccc(Br)cc2)CC1 2117723490 DXKLNYCNKOJNMW-UHFFFAOYSA-N 323.194 3.198 10 10 DGCE Cc1ccc(Br)c(COCCc2ccc(N)cc2)n1 2119738689 OANNPAAQYNNQJK-UHFFFAOYSA-N 321.218 3.494 10 10 DGCE Cc1cnc(CCN(C)c2cc(Cl)c(CN)cc2F)s1 2177380773 HFZSZGPZOUMFQM-UHFFFAOYSA-N 313.829 3.382 10 10 DGCE CO[C@H]1CN(c2ccc([C@@H](C)O)c(Cl)c2)CC(F)(F)C1 2185161916 RCNWRBIMQGINMR-MWLCHTKSSA-N 305.752 3.254 10 10 DGCE CNCc1ccc(N2CCC[C@H]2c2nncs2)c(Cl)c1 2204721068 FXMJBEMDSCEYMM-ZDUSSCGKSA-N 308.838 3.252 10 10 DGCE Cc1ccc(CN(C)CP(C)(C)=O)c(O)c1Br 2307457052 GNIKMJGLHDUJPO-UHFFFAOYSA-N 320.167 3.475 10 10 DGCE Cc1ccc(CN[C@H](C)c2ccncn2)c(O)c1Br 2352695054 YJIPYLAECJETKS-SNVBAGLBSA-N 322.206 3.104 10 10 DGCE CCc1cc(=NCc2ccc(C)c(Br)c2O)cc[nH]1 2352951294 FQJIUTHOVDQYMQ-UHFFFAOYSA-N 321.218 3.455 10 10 DGCE O=C(NCCc1ccc(O)c(O)c1)Nc1cnc2ccccc2c1 172043574 MTDQSKSUXGZRDE-UHFFFAOYSA-N 323.352 3.010 10 10 DGCE c1cc(CNCc2ccc3c(c2)CCO3)cc(OCC2CC2)n1 67123191 WSGQPQLTHJIVPO-UHFFFAOYSA-N 310.397 3.095 10 10 DGCE COCCCN(C)C(=O)c1cc(C)n(-c2ccccc2F)c1C 66342688 BCTRCVMNUZLQNL-UHFFFAOYSA-N 318.392 3.342 10 10 DGCE Cc1ccc(O)c(CNC[C@H](NC(=O)OC(C)(C)C)C(C)C)c1 115629808 SUKPQEWQUTXGRE-HNNXBMFYSA-N 322.449 3.340 10 10 DGCE CC[C@@H](C)c1cc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)on1 173131347 JGDCZYMKCWXLOQ-MNOVXSKESA-N 318.373 3.393 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1C[C@@H]2[C@@H]1[C@@H]1CC[C@H]2O1 2356935083 TZOVNHAIEUYQIC-OMRNGCIESA-N 314.212 3.355 10 10 DGCE Cc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(O)cc3)C2=O)cc1 34240763 GYUSCFXBCDVVCO-GDNBJRDFSA-N 322.320 3.207 10 10 DGCE CC(C)[C@@H]1C[C@H]1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 185471749 YVZYYBUJLLEKGF-YESZJQIVSA-N 317.429 3.192 10 10 DGCE CCc1cc(O)ccc1NS(=O)(=O)c1cc(C)sc1C 189432812 OJSTVNAKHXTTKK-UHFFFAOYSA-N 311.428 3.434 10 10 DGCE C[C@@H]1SCCS[C@H]1c1noc(-c2sccc2O)n1 135962520 AUAOOGMCHUNZCT-POYBYMJQSA-N 300.430 3.413 10 10 DGCE COc1ccc(NC(=O)CCCSc2nccs2)c(N)c1 40676638 VTVHQMLRVWMCSN-UHFFFAOYSA-N 323.443 3.245 10 10 DGCE COc1ccc(N2CCCN(Cc3oc(C)nc3C)CC2)cc1 809935771 YNGAYWASVZFDEZ-UHFFFAOYSA-N 315.417 3.012 10 10 DGCE COC(=O)Cc1ccc2c(O)csc2c1Br 396271364 IMWGGPYOWXIMQM-UHFFFAOYSA-N 301.161 3.085 10 10 DGCE COC(=O)[C@H](CC(C)C)N(C)Cc1cc(Cl)c(F)cc1O 816616713 CYGJYLIBJKYMEH-ZDUSSCGKSA-N 317.788 3.204 10 10 DGCE Cc1ccc(OC[C@H](O)CNc2ccccc2OCCF)cc1 819489355 UCVYQDVWUGFTPC-OAHLLOKOSA-N 319.376 3.195 10 10 DGCE COC(=O)[C@@](C)(CCF)NCc1ccc(N2CCCCC2)cc1 827352731 ODXIOPKIAMPGRE-GOSISDBHSA-N 322.424 3.058 10 10 DGCE CN(C)c1ccc([C@H]2CC(c3ccc(F)c(F)c3)=NN2)cc1 821172810 FRYIASLZXVZCGL-MRXNPFEDSA-N 301.340 3.470 10 10 DGCE C[C@H](NC[C@H]1CC[C@H](C(F)(F)F)O1)c1ccc(F)cc1O 903179567 QRKWEUKMYXKFHD-IYYTYJHQSA-N 307.287 3.292 10 10 DGCE Cc1c(Cl)ccc2c1N(C(=O)/C=C/c1cnccn1)CCC2 736062431 DLFSFFCZTSQYOB-FNORWQNLSA-N 313.788 3.431 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCNC(=O)c3ccccc32)cc1 835052187 CMVCNYQXENTQBC-WAYWQWQTSA-N 321.424 3.016 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@@H]2CCOC3(CCC3)C2)cc1 835043463 RDTRKMWPNFLIFQ-MAVJXHJTSA-N 300.446 3.457 10 10 DGCE Nc1ccc2c(c1)CN(Cc1cccc(Cl)c1O)CCO2 903943725 AUFOTAXDRWGRTK-UHFFFAOYSA-N 304.777 3.022 10 10 DGCE CCN(Cc1cc(Br)ccc1O)C(=O)C1(F)CC1 843819714 GEIWMSCCVLWDKX-UHFFFAOYSA-N 316.170 3.005 10 10 DGCE Cn1ccnc1[C@@H]1N(Cc2cc3c(cc2O)CCC3)CC1(C)C 840106780 HOGAKQGQLKTSKL-KRWDZBQOSA-N 311.429 3.198 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCC([C@@H]3CCCN3)CC2)cc1 843043656 ATECCGBFYCKNLD-SGSXCFNPSA-N 313.489 3.230 10 10 DGCE C[C@H](O)[C@H](NCc1ccc(N(C)C)cc1)c1ccccc1F 846015191 BTCGZRIRCPIUIN-UGSOOPFHSA-N 302.393 3.103 10 10 DGCE C[C@@]1(C(=O)O)CCC[C@@H]1NCc1cc(Cl)cc(Cl)c1O 756391008 XGDXABFDEOJPJK-SMDDNHRTSA-N 318.200 3.432 10 10 DGCE COc1ccc([C@@H](C)CC(=O)NCc2c(O)cccc2F)cc1 928705589 LOUPSMRQDWLYTG-LBPRGKRZSA-N 317.360 3.350 10 10 DGCE COc1ccnc(CNC/C=C\c2ccc(N(C)C)cc2)c1F 850381138 VBLUWQUZGUQJNZ-PLNGDYQASA-N 315.392 3.098 10 10 DGCE COc1ccc(N2CC[C@H](N[C@H](C)c3cscn3)C2)cc1 850487755 JFROPCAAZVZXBL-OLZOCXBDSA-N 303.431 3.081 10 10 DGCE COc1cccc([C@@H](C)NC[C@H]2CCC23CCOCC3)c1O 866532057 VIMOAZVPLXUPSY-ZIAGYGMSSA-N 305.418 3.258 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCOC[C@H]2C)cc1 766372912 HBKKRISNXXUWAP-CRAIPNDOSA-N 318.461 3.164 10 10 DGCE C[C@H](C(=O)NCCc1ccc(O)c(O)c1)c1ccc(Cl)cc1 1137464460 ARIWWVIFRIRDKU-NSHDSACASA-N 319.788 3.214 10 10 DGCE COc1cc(Cl)cc(CN2CCC(C)(N3CCC3)CC2)c1O 895670387 FXEOYFDTKVCOHJ-UHFFFAOYSA-N 324.852 3.114 10 10 DGCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H](C)C(F)F)c1 1141979595 UYFAXSDWDBCEQA-NSHDSACASA-N 320.339 3.290 10 10 DGCE CC(C)[C@@H]1C[C@H]1NC(=O)N(C)Cc1ccc(N2CCCC2)cc1 1229772728 IHPTVUHBABOPIH-ZWKOTPCHSA-N 315.461 3.473 10 10 DGCE O=C(NCc1cccc(Cl)c1O)C1=Cc2ccccc2OC1 1305069333 DRBQFYWSTARNMW-UHFFFAOYSA-N 315.756 3.138 10 10 DGCE C[C@H]1CN(CCCN=[N+]=[N-])C[C@@H](C)[C@@H]1NC(=O)OC(C)(C)C 1962304472 NBCFWAGRKZRNAX-ITGUQSILSA-N 311.430 3.168 10 10 DGCE C[C@H](O)CN(C(=O)OC(C)(C)C)[C@@H](C)c1ccc(F)cc1O 1887511742 AAPRZDMNJODRPT-QWRGUYRKSA-N 313.369 3.210 10 10 DGCE Cc1c(CN)cc(CN=[N+]=[N-])c(C)c1I 1887536785 YTCOCUJTVJBMPN-UHFFFAOYSA-N 316.146 3.177 10 10 DGCE COc1ccc(N(CCn2cc(Cl)cn2)CC2CC2)cc1 1170411959 PPHFQLFXTFWNEK-UHFFFAOYSA-N 305.809 3.462 10 10 DGCE CC(C)(C)OC(=O)N[C@]1([C@H](N)c2ccccc2O)CC[C@@H]2C[C@@H]21 1894694400 DHEKGBSHEVDJGN-VPSJLMRDSA-N 318.417 3.085 10 10 DGCE Cc1ncsc1/C=C/C(=O)N(C)c1cccc([N+](=O)[O-])c1 186886933 HFODLCLBRUCRMZ-VOTSOKGWSA-N 303.343 3.036 10 10 DGCE COc1cccc2[nH]c(C(=O)N3Cc4cccc(O)c4C3)cc12 1471355826 WQMGTBZUTUCGRX-UHFFFAOYSA-N 308.337 3.038 10 10 DGCE CCC(C)(CC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 1627463759 FGFFZEPWTQRXNV-QGZVFWFLSA-N 319.493 3.298 10 10 DGCE COc1c(F)ccc(F)c1C(=O)N[C@@H](C)c1ccccc1O 1632250561 WKNNKHWFKYCBDT-VIFPVBQESA-N 307.296 3.170 10 10 DGCE CCN(CC)c1ccc(CNC(=O)c2cccn2CC)cc1F 1633264067 TYGCEJAXDMLGCD-UHFFFAOYSA-N 317.408 3.423 10 10 DGCE C[C@H](N[C@H](C)C(=O)Nc1ccc(F)c(F)c1)c1ccccc1O 1654532630 YFSWHRSUDYPDIP-WDEREUQCSA-N 320.339 3.348 10 10 DGCE CC1=C(C(=O)NCc2c(O)ccc3ccccc23)SCCO1 1652709316 ZMCRARZVGWFSMV-UHFFFAOYSA-N 315.394 3.157 10 10 DGCE Cc1csc(C)c1S(=O)(=O)N1CCC(CN=[N+]=[N-])CC1 1912210525 KPNJFAVTHGLXNV-UHFFFAOYSA-N 314.436 3.076 10 10 DGCE CN(Cc1cc(Cl)cc(Cl)c1O)[C@@H]1CCOC[C@H]1F 2130200048 DVJWOAZBBZOYHX-VXGBXAGGSA-N 308.180 3.258 10 10 DGCE CN[C@@H](C)c1ccc(N2CCSC2)c(Br)c1 1902759660 VPHATMVRJIFONA-VIFPVBQESA-N 301.253 3.240 10 10 DGCE CN(CCNCc1ccc(Cl)cc1O)Cc1ccccc1 1928560068 GZZAKZCFTWKZDX-UHFFFAOYSA-N 304.821 3.267 10 10 DGCE CC(=O)C(=O)c1cc(NC(=O)OC(C)(C)C)cc([N+](=O)[O-])c1C 1951525788 VFGLKCWITJYJGE-UHFFFAOYSA-N 322.317 3.022 10 10 DGCE C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN1CCCCN=[N+]=[N-] 1982246799 ZIZKXSWVKWTTMY-MGPQQGTHSA-N 323.441 3.264 10 10 DGCE Oc1cccc(Br)c1CN[C@H]1C[C@@]12CC2(F)F 2004611543 YVYFHYVRLJWFED-WDEREUQCSA-N 304.134 3.042 10 10 DGCE CCCN(CCN)[C@H](CC)c1cc(Br)ccc1O 2030268201 HAKIPZWIELRITA-CYBMUJFWSA-N 315.255 3.277 10 10 DGCE CCO[C@@H]1CCN(c2ccc([C@@H](C)N)cc2Br)C1 701698584 AJIWMQOTLBJGBP-ZYHUDNBSSA-N 313.239 3.084 10 10 DGCE CO[C@H]1CC(F)(F)CC[C@H]1NCc1cc(Cl)ccc1O 2162096711 ZVJPXAGETGMHBP-YPMHNXCESA-N 305.752 3.338 10 10 DGCE Oc1c(Br)cccc1CN1CC[C@@H](C(F)F)C1 707161318 WHMXDSWRFJGOAB-SECBINFHSA-N 306.150 3.242 10 10 DGCE Oc1c(F)cccc1CNCc1cnc(C(F)(F)F)s1 2196686696 HEYXMNLWHVRCFD-UHFFFAOYSA-N 306.284 3.296 10 10 DGCE CN(C[C@H]1C[C@@H]1C(F)F)c1ccc(CO)cc1Br 2041776264 RRSQDGNTFRUXHJ-ZJUUUORDSA-N 320.177 3.279 10 10 DGCE CC[C@H](COC)N(C)c1ccc([C@H](C)O)cc1Br 2047302483 SZSORXNATRJEIN-CMPLNLGQSA-N 316.239 3.364 10 10 DGCE CN(Cc1ccc(Br)o1)c1ccc(CN)c(F)c1 2050629322 MGUVCYKAEBQLJP-UHFFFAOYSA-N 313.170 3.276 10 10 DGCE CC[C@@H]1CC[C@H](CNCc2cccc(Br)c2O)O1 2081655683 KQULKXNOOADXCL-VXGBXAGGSA-N 314.223 3.202 10 10 DGCE CN(CCOC(F)F)c1ccc(C=CC(=O)O)cc1Cl 2202943377 WJHPBTLZZOODCY-UHFFFAOYSA-N 305.708 3.113 10 10 DGCE C[C@H](c1ccc(Cl)cc1O)N1CCC[C@]12CC[S@](=O)C2 2203360259 HDHLLGDABCLXGI-PLTJGGDTSA-N 313.850 3.094 10 10 DGCE COc1ncc(Cl)cc1CNCc1c(O)cccc1Cl 2232911975 JMOYBDMZGPAQHJ-UHFFFAOYSA-N 313.184 3.392 10 10 DGCE CCCN(C[C@@H](C)O)c1ccc([C@@H](C)N)cc1Br 2259746539 WYBDFSFQSFSJHR-GHMZBOCLSA-N 315.255 3.066 10 10 DGCE N[C@H](c1ccccc1O)[C@@H](O)c1ccc(C(F)(F)F)s1 2295020055 VRDDMTVRJPGXAH-NEPJUHHUSA-N 303.305 3.206 10 10 DGCE O=C(c1ccco1)N1CCN(N=Nc2ccccc2Cl)CC1 2330162151 ZVSXMIDZJHMBJW-UHFFFAOYSA-N 318.764 3.390 10 10 DGCE COC[C@@H](C)CCNCc1ccc(C)c(Br)c1O 2327621836 RJHKSXVEMFYOOF-JTQLQIEISA-N 316.239 3.225 10 10 DGCE Cc1ccc(CN2CC(=O)CC23CCC3)c(O)c1Br 2352941656 TYFMTCWBKVDGHQ-UHFFFAOYSA-N 324.218 3.161 10 10 DGCE Cc1ccc(O)c(NC2=NC(=O)/C(=C/c3ccccn3)S2)c1 39869692 CQCMQUKGCRSILK-ZROIWOOFSA-N 311.366 3.178 10 10 DGCE COCCN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S 40570557 KEGPIKIGMWOJBC-JYRVWZFOSA-N 318.423 3.016 10 10 DGCE CCN(Cc1cccs1)[C@@H](CN)c1ccc(N(C)C)cc1 48970257 WYNPAZLSWRXUTB-KRWDZBQOSA-N 303.475 3.336 10 10 DGCE CC1=NN(c2cccc(C)c2)C(=O)/C1=C\Nc1c(C)n[nH]c1C 59858415 MBUOCNBAZDKIGE-DHDCSXOGSA-N 309.373 3.053 10 10 DGCE COC(=O)[C@@H](NCCN=[N+]=[N-])c1cccc(Cl)c1Cl 90257070 YSPYFAJCUWOHSR-JTQLQIEISA-N 303.149 3.107 10 10 DGCE CCOc1ccc(O)c(CN(C[C@H](C)O)C2CCCCC2)c1 92974518 KTDUMXXHFKDGMP-AWEZNQCLSA-N 307.434 3.306 10 10 DGCE CCSc1cccc(C(=O)NCCc2ccc(O)c(O)c2)c1 159824506 FJFDYVMBEOEDSJ-UHFFFAOYSA-N 317.410 3.182 10 10 DGCE O=C(NCCCSc1nccs1)C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 247671470 QXKMHAQIHYXUNY-BJDJZHNGSA-N 308.472 3.034 10 10 DGCE COc1cc(N(C)Cc2nccn2C(C)C)cc(OC)c1OC 265976753 BYYVMASWMSLSDY-UHFFFAOYSA-N 319.405 3.126 10 10 DGCE CCN(Cc1ccccc1)[C@H](CN)c1ccc2c(c1)CCN2C 302929561 QDAMMZYHRQIGLM-HXUWFJFHSA-N 309.457 3.201 10 10 DGCE CCNCc1cc(F)c(N2CCSCC[C@H]2C)c(F)c1 385483556 BABBGBFSNCYPNQ-LLVKDONJSA-N 300.418 3.406 10 10 DGCE Oc1ccc(CNCCCCOCc2ccccc2)cc1O 390579564 GQXIJQUOCHXLQW-UHFFFAOYSA-N 301.386 3.184 10 10 DGCE CC[C@H](N[C@H](C)C(C)(C)O)c1cc(Br)ccc1O 393969226 WXLHKLHKNSCJGP-SKDRFNHKSA-N 316.239 3.355 10 10 DGCE O=C(O)/C=C/c1ccc(N2CCC=C(Br)C2)cc1 404400898 ZYRPEYARFHEDBA-VMPITWQZSA-N 308.175 3.273 10 10 DGCE CN(Cc1cc(Cl)cc(Cl)c1O)[C@H](CN)C(F)(F)F 698704424 BPLQVDHYMXTIPX-SECBINFHSA-N 317.138 3.020 10 10 DGCE COc1ccc(N2CCCN(C[C@H]3CCO[C@H](C)C3)CC2)cc1 778998074 GXXPZDWEYVEEKX-SJORKVTESA-N 318.461 3.022 10 10 DGCE CCCN(c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-])C1CC1 779426705 HFZXCHHSMNPHAY-WEVVVXLNSA-N 304.346 3.160 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C[C@H]1C1CC1 797578801 JVODZGFVAXTFGD-ZWKOTPCHSA-N 315.461 3.471 10 10 DGCE COCC[C@@H](COC)N[C@@H](C)c1cccc(C(F)(F)F)c1O 815628383 YTFNWZYARAJNES-QWRGUYRKSA-N 321.339 3.113 10 10 DGCE COc1cccc(O)c1CN[C@@H](c1ccccc1)[C@@H](O)C(C)C 827526140 HKXBEHODUBRKQR-OALUTQOASA-N 315.413 3.249 10 10 DGCE C[C@@H](NC/C=C\c1ccc(N(C)C)cc1)c1nnc2ccccn12 835035778 KTTHRZRBUGRRFT-IDTUSYRASA-N 321.428 3.159 10 10 DGCE CN(C)c1ccc(/C=C/CNCc2nccn2C(F)F)cc1 835037495 QCRKNPGYIZTVRD-ONEGZZNKSA-N 306.360 3.147 10 10 DGCE CC(C)c1cc(C(=O)NCc2ccc(N)cc2)nn1C(C)(C)C 837302877 KRFWAGLSMJOGKQ-UHFFFAOYSA-N 314.433 3.274 10 10 DGCE CCCN(CCC)c1ccc(CN[C@@H]2C=C[C@H](C(=O)O)C2)cc1 841814153 QSVIFSHVWBGDCG-DLBZAZTESA-N 316.445 3.432 10 10 DGCE Oc1ccc2ccccc2c1CN1CC[C@@H](Nc2ncccn2)C1 842616157 SKRPJYGGEAIPAR-OAHLLOKOSA-N 320.396 3.022 10 10 DGCE CCOc1cccc(CN[C@H](C2CC2)[C@@H]2CCCCO2)c1O 848560699 QEBKDESEMIYJFF-DOTOQJQBSA-N 305.418 3.228 10 10 DGCE C[C@H](NCC[C@@H](O)C(F)F)c1cccc(C(F)(F)F)c1O 866442258 HYGCRZWVGNZEBW-OIBJUYFYSA-N 313.266 3.078 10 10 DGCE CCN(CC(F)(F)F)C(=O)CNc1ccccc1NC(C)C 871845950 HTHNGRSCLZAXAK-UHFFFAOYSA-N 317.355 3.330 10 10 DGCE Cc1cc(N(C)C)ccc1CNc1cccc(OCC(=O)O)c1 901577322 BSOHDGHIWJOQFW-UHFFFAOYSA-N 314.385 3.137 10 10 DGCE Oc1c(F)cc(F)cc1CNCc1nccc2c1CCCC2 922460491 AFTXEQGARFGPBI-UHFFFAOYSA-N 304.340 3.234 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCO[C@](C)(C(F)F)C2)cc1 1118674090 IMXSCMXRMBYBSG-CHYADLBTSA-N 310.388 3.122 10 10 DGCE Cc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2ccccc2O)c1C 1149871955 MYBZFMSJVFSVIN-UHFFFAOYSA-N 314.341 3.189 10 10 DGCE CCOc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c(F)c1 1162211810 HGMFMEABNABJJR-YWEYNIOJSA-N 317.316 3.288 10 10 DGCE CCC[C@H](O)CCNC(=O)c1sccc1-n1c(C)ccc1C 1179583995 SIKZTLQGEQNOBH-AWEZNQCLSA-N 320.458 3.437 10 10 DGCE Oc1c(Cl)cccc1CNCc1cccc2nsnc12 1308548548 XBMBFPNEGJEFCK-UHFFFAOYSA-N 305.790 3.340 10 10 DGCE CN(C)c1cc(NC(=O)c2cccc(O)c2O)ccc1Cl 1596978358 NZISBGUQIFIKOX-UHFFFAOYSA-N 306.749 3.070 10 10 DGCE C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1O 1632246944 NYKHAJGSULRGLV-SECBINFHSA-N 320.732 3.445 10 10 DGCE COC(=O)c1cc(OC[C@@H]2CC[C@H]3C[C@H]3C2)ccc1N(C)C 1641368745 TYBISABBDXSEKC-HZSPNIEDSA-N 303.402 3.354 10 10 DGCE CC(=O)Nc1ccc(/N=N/N2CCN(c3ccccc3)CC2)cc1 1860488306 MTGRUMLBIJMOBW-QZQOTICOSA-N 323.400 3.466 10 10 DGCE CC(C)(C)OC(=O)N1CCN(c2ccc(N)cc2)[C@H]2CCC[C@@H]21 1902321928 SLQCRFQANFLXNL-HOTGVXAUSA-N 317.433 3.247 10 10 DGCE Oc1cccc(Cl)c1CN[C@H]1CCOC[C@@H]1C(F)(F)F 1916617637 UTOJPJKAAOHRBT-ONGXEEELSA-N 309.715 3.103 10 10 DGCE C[C@@H]1CCO[C@H]1CCNCc1ccc(Br)cc1O 1918132068 YSJPHNOFDSZDSG-YGRLFVJLSA-N 314.223 3.059 10 10 DGCE C[C@@H](CO)[C@](C)(NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1927333530 GTYKPOXXIXWVSL-UGSOOPFHSA-N 322.449 3.121 10 10 DGCE CCC[C@H](C[C@@H](N)c1ccccc1O)NC(=O)OC(C)(C)C 1928471121 IJSIADFZUUAFLO-TZMCWYRMSA-N 308.422 3.476 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@](C)([C@@H](N)c2ccccc2O)C1 1928472694 SSSVKIHGZIMRNA-YOEHRIQHSA-N 306.406 3.039 10 10 DGCE C[C@@H]1[C@H]([C@@H](N)c2ccccc2O)CCCN1C(=O)OC(C)(C)C 1936968648 SRFXWFDKULSJSZ-XJKCOSOUSA-N 320.433 3.428 10 10 DGCE Oc1cc(Br)ccc1CN1CCCC[C@H](F)C1 1946946381 LYPKBDYRTWCNBZ-LBPRGKRZSA-N 302.187 3.479 10 10 DGCE COC[C@H](CCCc1ccc(N)cc1)N(C)C(=O)OC(C)(C)C 1952755975 XSJDHMOFWWSIKC-INIZCTEOSA-N 322.449 3.473 10 10 DGCE CC(C)(C)OC(=O)N[C@H](c1c(N)cccc1O)C(F)(F)F 1953062040 BGXDYYWHDAGCIE-SNVBAGLBSA-N 306.284 3.103 10 10 DGCE CC1(C)C[C@@H](NC(=O)OC(C)(C)C)CN(CCCN=[N+]=[N-])C1 1962301461 VVVKJPKTAKKBAJ-GFCCVEGCSA-N 311.430 3.312 10 10 DGCE COc1cc2c(cc1OC)N(Cc1nc(Cl)cs1)CC2 1970282534 VRZUGHPAWPKLKY-UHFFFAOYSA-N 310.806 3.376 10 10 DGCE C[C@H](N[C@@H]1CC[C@H]1CNC(=O)OC(C)(C)C)c1ccccc1O 1986710111 SFPXCJZITGNYQQ-KCQAQPDRSA-N 320.433 3.346 10 10 DGCE CC(C)(C)OC(=O)NC1CC([C@@H](F)COc2ccc(N)cc2)C1 1992586376 PMWCIKBSQOTMAY-HGMXIMQMSA-N 324.396 3.289 10 10 DGCE Cc1ccc(CN[C@@H]2CC[C@H]2CNC(=O)OC(C)(C)C)c(O)c1 1994457462 BNPGMOKXMBZOMG-DZGCQCFKSA-N 320.433 3.094 10 10 DGCE CP(C)(=O)CCNCc1cc(Br)cc(F)c1O 2018298137 NXXLCWFAWFFUDA-UHFFFAOYSA-N 324.130 3.006 10 10 DGCE CC[C@@H]1CCOC[C@H]1NCc1c(O)cccc1Br 2035119096 HIPLULVIGWXTPT-ZWNOBZJWSA-N 314.223 3.059 10 10 DGCE CCOC(=O)c1cc(C2CCC2)nn1Cc1cccc(C)c1O 2069939542 DAMMDCSPOXQIIC-UHFFFAOYSA-N 314.385 3.390 10 10 DGCE CNC(=O)c1cc(CC(C)C)nn1[C@H](C)c1ccc(C)cc1O 2070081960 FXNVZOBNJFVRDC-CYBMUJFWSA-N 315.417 3.065 10 10 DGCE CCNC(=O)c1cc(C(C)C)nn1[C@H](C)c1ccc(C)cc1O 2070161713 PLFIIPZOMIWYMA-CYBMUJFWSA-N 315.417 3.380 10 10 DGCE Cc1ccc([C@@H](C(C)C)n2nc(C3CC3)c(CO)c2N)c(O)c1 2078992580 QEGSSQODSAYFAU-QGZVFWFLSA-N 315.417 3.094 10 10 DGCE CCCOc1cc(N2CCC[C@H](C3(C)OCCO3)C2)ccc1N 2145842816 AOKNDJOVNJGGQO-AWEZNQCLSA-N 320.433 3.037 10 10 DGCE C[C@H]1C[C@@H](CN(C)c2cc(Cl)c(CN)cc2F)CCO1 2177381551 OJTXKCPWDWEBGF-QWRGUYRKSA-N 300.805 3.189 10 10 DGCE C[C@H](CO)N(Cc1ccccc1)c1ccc2c(c1)OCCCO2 2210906089 QKROEVBHOQCIRL-OAHLLOKOSA-N 313.397 3.235 10 10 DGCE CC[C@@H]1C[C@H]1NCc1c(Br)ccc(OC)c1O 2214870186 ZAIVLHFXINKWLT-LDYMZIIASA-N 300.196 3.051 10 10 DGCE COc1ccc(N2CCC(=O)[C@@H](C)[C@@H]2C)c(Br)c1 2221625247 LCIRPTBZGBWIAM-UWVGGRQHSA-N 312.207 3.262 10 10 DGCE CNCc1ccc(N2CC[C@H](OC(F)(F)F)C2)c(Cl)c1 2239240003 KJNTZUJARRARDC-JTQLQIEISA-N 308.731 3.175 10 10 DGCE COc1ccc(Br)c(OCCc2ccc(N)cc2)n1 2265797123 BFCFBIQCVNPWJG-UHFFFAOYSA-N 323.190 3.056 10 10 DGCE CCc1nsc(CN(C)c2ccc([C@H](C)N)cc2Cl)n1 2288815245 HMCNNRGMMAMIPW-VIFPVBQESA-N 310.854 3.410 10 10 DGCE COc1cccc(CNC(=O)C(C)=Cc2ccc(F)cc2)c1O 2301549628 WPAXTIWQCBGKMP-UHFFFAOYSA-N 315.344 3.260 10 10 DGCE Cc1ccccc1C[C@H](C)NC(=O)C=Cc1ccc(O)c(O)c1 2307996676 HIGRXCFKUSIQEN-AWEZNQCLSA-N 311.381 3.167 10 10 DGCE C[C@H](O)c1ccc(N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)c(Br)c1 2308716387 QBRVUQDYADKYDW-WJYQBBMDSA-N 308.219 3.347 10 10 DGCE COc1ccc(C2=NN(C)C(=O)C2=Cc2ccccc2C)cc1 2332148875 MOSWRAOVSOYPLP-UHFFFAOYSA-N 306.365 3.263 10 10 DGCE S=C(NCc1cccnc1)SCc1cn2ccccc2n1 506031 AGWVEYXAWGLBTP-UHFFFAOYSA-N 314.439 3.037 10 10 DGCE O=C1/C(=C\c2ccccc2)SC(=S)N1C[C@@H]1CCCO1 5772089 RUYIUTHXMSKCGN-OQZOHAQUSA-N 305.424 3.067 10 10 DGCE C[C@H](Sc1nccs1)C(=O)Nc1ccc(Cl)cc1N 40676513 FNVCUPXMZISBHL-ZETCQYMHSA-N 313.835 3.498 10 10 DGCE COC[C@@H](C)N(C)c1c(F)cc(CNC(C)(C)C)cc1F 62737324 BGUPEWKDMUUCAJ-LLVKDONJSA-N 300.393 3.324 10 10 DGCE CCOC(=O)[C@H](CN=[N+]=[N-])Nc1cccc(Br)c1 91314480 ZJBYYVMOJCQPLJ-JTQLQIEISA-N 313.155 3.103 10 10 DGCE CCCCCCOCC(=O)NCc1ccc(N(C)C)c(F)c1 107466343 NCDWNHUEJKZJBP-UHFFFAOYSA-N 310.413 3.105 10 10 DGCE C[C@@H](NCc1ccc(N(C)C)cc1)c1ccc(-n2ccnn2)cc1 119975610 NGGTZZVLWQKZEN-OAHLLOKOSA-N 321.428 3.184 10 10 DGCE CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@]1(C)CCCO1 152027015 XFPZBVQCMMNVKZ-IBGZPJMESA-N 316.445 3.204 10 10 DGCE COCCN([C@@H](C)COC)[C@H](C)c1cc(Cl)ccc1O 250970708 FBVBXBYBRAMHAH-NWDGAFQWSA-N 301.814 3.090 10 10 DGCE COCCC1(CNCc2cc(Cl)c(F)cc2O)CCC1 293558207 HVINDQASHYCHFZ-UHFFFAOYSA-N 301.789 3.481 10 10 DGCE COCCN(Cc1ccccc1)c1ccc(/C=C/C(=O)O)cc1 384384107 MOZLGEREHDCXMT-FMIVXFBMSA-N 311.381 3.437 10 10 DGCE C[C@@H](C1CC1)N(Cc1ccccc1)c1ccc2c(c1)NC(=O)[C@@H]2N 385517952 SKVYDLJPMRNQIM-ORAYPTAESA-N 321.424 3.444 10 10 DGCE CN(Cc1nccs1)c1ccc(CN)c(C(F)(F)F)c1 387399969 JODSZSBQHGQPRF-UHFFFAOYSA-N 301.337 3.257 10 10 DGCE C[C@@H](NC[C@@H](C)N(C)Cc1ccccc1)c1ccc(O)cc1O 390528811 KOYVZXISPCEOMY-HUUCEWRRSA-N 314.429 3.269 10 10 DGCE C[C@@H]1CN(C(=O)Nc2ccc(N)cc2)CCN1Cc1ccccc1 396335273 DENAGHKFVPVCST-OAHLLOKOSA-N 324.428 3.007 10 10 DGCE Cc1cc(O)c(CNC[C@@H](n2cccn2)C(F)(F)F)cc1C 527743204 MHRQWNBVICMRNP-CQSZACIVSA-N 313.323 3.099 10 10 DGCE CN[C@@H](C)c1ccc(N2CC[C@@H](F)C2)cc1Br 689849433 LRNKUCQMJVSZFK-VHSXEESVSA-N 301.203 3.278 10 10 DGCE COC[C@@H]1CCCN1c1ccc([C@@H](C)N)c(Br)c1 696544582 HLFXFPYKEAOXDM-PWSUYJOCSA-N 313.239 3.084 10 10 DGCE CC(C)[C@@H](C)CNC(=O)NCc1ccc2c(c1)CCCN2C 740475500 XRVWEWIGQNINEV-AWEZNQCLSA-N 303.450 3.160 10 10 DGCE Cc1cc(Br)c(O)c(CN(C)C[C@@H]2CCCO2)c1 775983592 MGVPTOBCECRSQT-LBPRGKRZSA-N 314.223 3.074 10 10 DGCE COc1cccc2c1N(C(=O)/C=C\c1cnccc1C)CCC2 783891507 OHSGCFWGERIKAU-HJWRWDBZSA-N 308.381 3.391 10 10 DGCE COCCN(Cc1ccc(N(C)C)cc1)Cc1scnc1C 785993246 UOVTUYGAMDGSAL-UHFFFAOYSA-N 319.474 3.166 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1[C@H]2CCC[C@H]21 787405092 CXDNZTWOJPBOTR-PIIMJCKOSA-N 315.461 3.471 10 10 DGCE Cc1ccc(C(=O)N2CCn3c(cc4ccccc43)C2)c(O)c1O 794928798 ILWZSHZYCVSRPB-UHFFFAOYSA-N 322.364 3.017 10 10 DGCE CC(C)(C)N1CC[C@@H]1CNCc1cc(Cl)cc(F)c1O 826791201 TWXHBIUJRVOVPQ-GFCCVEGCSA-N 300.805 3.147 10 10 DGCE COc1ccc2c(c1)CCC[C@@H]2CC(=O)NCc1ccc(N)cc1 837302785 GSOXXPKJEYOCNZ-MRXNPFEDSA-N 324.424 3.404 10 10 DGCE COc1ccc(N2CC[C@H](N[C@@H]3CC[C@@H](C)SC3)C2)cc1 850347665 VOVMADMBHFQTHF-QLFBSQMISA-N 306.475 3.148 10 10 DGCE Cc1cncc(CCNCc2ccc(N3CCCCC3)cc2)n1 850390851 VNMRYMJRBDLAIR-UHFFFAOYSA-N 310.445 3.108 10 10 DGCE C[C@]1(CCNC(=O)NCc2cc(Cl)ccc2O)CC1(F)F 852584084 HQFNIYLPUZLBTL-ZDUSSCGKSA-N 318.751 3.280 10 10 DGCE CCOC(=O)C1=CC[C@H](N[C@H](CC)c2ccc(N(C)C)cc2)C1 858505596 NCOGGOHJMBCLGV-FUHWJXTLSA-N 316.445 3.445 10 10 DGCE C[C@@H](CCc1ccco1)NC(=O)N[C@@H](C)c1ccccc1O 867984833 PHNIHUBJMPBPJA-STQMWFEESA-N 302.374 3.367 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2ncc(Cc3ccccc3)o2)c1 1167293472 FLDBQJUFYFFVIX-UHFFFAOYSA-N 322.364 3.209 10 10 DGCE CC(=O)c1cc(F)cc(CN[C@H](C)c2ccccc2O)c1O 1175417775 AVFRKBBNZBAETQ-SNVBAGLBSA-N 303.333 3.290 10 10 DGCE CN(Cc1ccccc1F)C(=O)c1ccc(N=NC(N)=O)cc1 1291813562 QZVJWIOLCLEIRH-UHFFFAOYSA-N 314.320 3.260 10 10 DGCE C[C@@H](NC(=O)[C@@H](CCCO)c1ccccc1)c1ccccc1O 1347190734 VJEDUHIWYLBOEY-PBHICJAKSA-N 313.397 3.126 10 10 DGCE CN(C)c1ccc(CN(C[C@@H]2CCCC[C@@H]2O)C2CC2)cc1 1459354817 WXTJOFFMVFBWLA-LPHOPBHVSA-N 302.462 3.268 10 10 DGCE O=C(/C=C\c1ccnc(Cl)c1)NCc1cc(Cl)ccc1O 1469876282 DSSQJJKEYZKHMV-RJRFIUFISA-N 323.179 3.424 10 10 DGCE C[C@@H](C(=O)NCc1c(O)cccc1F)c1ccc(F)cc1F 1471976254 USWBHGVVZGNHFO-SECBINFHSA-N 309.287 3.229 10 10 DGCE Cc1cc(CN2CCN(C)C[C@@H]2CC(C)C)ccc1N(C)C 1473824270 DURWSGGKUXOTSS-SFHVURJKSA-N 303.494 3.223 10 10 DGCE Cc1ccc(/C=C/C(=O)N2CCOc3cc(F)c(F)cc32)cn1 1537928979 VAQAGENAISCBMB-SNAWJCMRSA-N 316.307 3.107 10 10 DGCE C[C@H]1CC(CNC(=O)N2Cc3cccc(O)c3C2)C[C@H](C)C1 1565044303 KMKWTGXXNMITHU-CHWSQXEVSA-N 302.418 3.490 10 10 DGCE CSCc1cc(C(=O)NCc2c(O)cccc2F)ccc1F 1596913052 UQCPCYYKLQMWOY-UHFFFAOYSA-N 323.364 3.463 10 10 DGCE C[C@H](NCCC(=O)Nc1cc(F)cc(F)c1)c1ccccc1O 1620504935 HTUZEZLTMDQTBJ-NSHDSACASA-N 320.339 3.350 10 10 DGCE CCCc1[nH]ccc1C(=O)C(=O)CC(C)(C)CC(=O)OCC 1623574420 ODSLIGQSOBRHLB-UHFFFAOYSA-N 307.390 3.089 10 10 DGCE CCCC[C@H](O)CCC(=O)NCc1c(O)ccc2c1CCCC2 1631439024 SIXJAHBPSNJWCW-HNNXBMFYSA-N 319.445 3.219 10 10 DGCE Cc1cc(C)n2ccc(C(=O)N[C@H](C)c3ccccc3O)c2n1 1635799019 MGLDCTJSWSKBBZ-CYBMUJFWSA-N 309.369 3.148 10 10 DGCE O=C(Cc1ccc2ccccc2c1)NCc1cc(O)ccc1O 1644752867 YOVHLXVOGVSKIK-UHFFFAOYSA-N 307.349 3.110 10 10 DGCE O=C(NCC[C@@H]1C[C@H]1C1CC1)c1cc2cc(O)c(O)cc2s1 1644768438 CRWDRGWNFQOJIF-PWSUYJOCSA-N 317.410 3.479 10 10 DGCE CC[C@@H](C)CC(=O)N[C@H](C)CNCc1ccc(OC)c(C)c1 1669280726 MDHVMGKYOODBBU-UKRRQHHQSA-N 306.450 3.034 10 10 DGCE Cc1ccc(C)n1[C@@H](CC(=O)OC1COC1)c1ccc(F)cc1 1853045250 KUSRKMXJIWAOLP-KRWDZBQOSA-N 317.360 3.166 10 10 DGCE Nc1ccc(Oc2ccc(NC(=O)CCCCO)cc2)cc1 1866066817 QDTGLNXLANKELT-UHFFFAOYSA-N 300.358 3.162 10 10 DGCE [N-]=[N+]=NC1CCN(C(=O)c2sccc2Br)CC1 1912172946 YEAILBFCQGNKAU-UHFFFAOYSA-N 315.196 3.426 10 10 DGCE CN[C@H](c1ccccc1O)[C@@H]1C[C@@H](C)N1C(=O)OC(C)(C)C 1913601225 JAJCZJWBXGEQQZ-OSAQELSMSA-N 306.406 3.051 10 10 DGCE CO[C@@H]1CCN(c2ccc([C@H](C)N)cc2Br)[C@H]1C 1914271597 IUISRWSGKSDPHM-PKFCDNJMSA-N 313.239 3.082 10 10 DGCE CO[C@@H]1CCN(c2ccc([C@@H](C)N)c(Br)c2)[C@@H]1C 1914273398 YMJJMWCBXURRMN-GPCCPHFNSA-N 313.239 3.082 10 10 DGCE COC(C)(C)[C@H](N)c1c(O)cccc1NC(=O)OC(C)(C)C 1952884776 UEXAJNSQLHZYLG-CYBMUJFWSA-N 310.394 3.164 10 10 DGCE CC(C)(C)OC(=O)N[C@](C)(Cc1ccc(N)cc1)C(F)F 1953011112 WPQHKCRXBAEEGX-OAHLLOKOSA-N 300.349 3.360 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CN(CCCCN=[N+]=[N-])CC1(C)C 1962302802 CESYSBCDQLIOKT-LBPRGKRZSA-N 311.430 3.312 10 10 DGCE CN(CCCN=[N+]=[N-])C[C@@H]1CCCCN1C(=O)OC(C)(C)C 1962305070 QGSONMAUUCWGSG-ZDUSSCGKSA-N 311.430 3.408 10 10 DGCE CCN[C@H](c1ccccc1O)[C@@H]1C=CCN1C(=O)OC(C)(C)C 1983476422 SAWYHTDNMBPWQL-GOEBONIOSA-N 318.417 3.218 10 10 DGCE CC[C@@H](CN(C)c1ccc([C@@H](C)O)cc1Br)OC 2068156836 DECGPYPJDVYGTP-PWSUYJOCSA-N 316.239 3.364 10 10 DGCE Nc1c(C(F)(F)F)c(C2CC2)nn1Cc1cc(F)ccc1O 2079802263 DORGBQNABLIQGU-UHFFFAOYSA-N 315.270 3.255 10 10 DGCE CC=CCCNCc1c(Br)ccc(OC)c1O 2208514866 ZDIPZJIPMZZPJA-UHFFFAOYSA-N 300.196 3.219 10 10 DGCE COc1ccc(N(C)C[C@H](O)COCc2ccccc2)c(C)c1 2210881021 LTGXPJVGMUUYGD-KRWDZBQOSA-N 315.413 3.018 10 10 DGCE Oc1c(Cl)cccc1CN1CC[C@@H](OC(F)(F)CF)C1 2239180099 LEFAIZZDGHDPKL-SNVBAGLBSA-N 309.715 3.199 10 10 DGCE N[C@@H]1C[C@@H]2C[C@H](C1)N(Cc1cc(Cl)cc(Cl)c1O)C2 2332111867 LYNMKKWPYDGLDH-GGZOMVNGSA-N 301.217 3.011 10 10 DGCE CO[C@@H]1C[C@@H]2C[C@H]1CN2Cc1cc(Cl)cc(Cl)c1O 2340770192 BZBVNXXBMQDWHW-LJUAHTATSA-N 302.201 3.308 10 10 DGCE NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(O)cc1O)N2 13639667 RABVUMJFFGARJV-FHSNZYRGSA-N 322.364 3.023 10 10 DGCE O=C(O)c1cc2c3c(c1O)[C@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@H]21 39372626 BOLUFUFJWZLKGZ-VOAKCMCISA-N 309.365 3.243 10 10 DGCE Nc1ccc(NC(=O)CC[S@@](=O)c2cccc(Cl)c2)cc1 54186076 FMWMNOWOIVNZHX-NRFANRHFSA-N 322.817 3.059 10 10 DGCE Nc1ccc(N2CCN(Cc3ccccc3Cl)C2=O)cc1 54405000 LUBJIRUJLMKCHL-UHFFFAOYSA-N 301.777 3.364 10 10 DGCE Fc1ccc(CN2CCNc3cc4c(cc32)OCO4)cc1F 57926480 DMAFXTVVRQMLPP-UHFFFAOYSA-N 304.296 3.126 10 10 DGCE C[C@H](N)c1ccc(N2CCN(c3nccs3)CC2)c(Cl)c1 61694158 MWHRSPDPFAICMQ-NSHDSACASA-N 322.865 3.143 10 10 DGCE C[C@H](N)c1ccc(N(CCO)Cc2ccccc2)c(Cl)c1 61698129 BCDNPJOIUUXMJD-ZDUSSCGKSA-N 304.821 3.359 10 10 DGCE C[C@@H](Cc1cccs1)N(C)C(=O)CCc1ccc(N)cc1 93266107 GPGPRQKZOFJSLA-ZDUSSCGKSA-N 302.443 3.353 10 10 DGCE CC[C@@H](C)N(C)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 102577311 DIMKCXGNXYRWBR-CQSZACIVSA-N 319.449 3.104 10 10 DGCE COc1ccc(N(CC(=O)N(C)CC2CC2)[C@@H](C)C2CC2)cc1 111236589 FUJFNYNVCBDDHU-AWEZNQCLSA-N 316.445 3.169 10 10 DGCE CC(C)c1nc2c(n1C)CCN(Cc1ccc(N(C)C)cc1)C2 123277341 VMNXXYFHHNQKDZ-UHFFFAOYSA-N 312.461 3.168 10 10 DGCE Cc1cc(C)n2c(CN(C)Cc3ccc(N(C)C)cc3)cnc2n1 156470531 RFYAKPFRGKZMKF-UHFFFAOYSA-N 323.444 3.044 10 10 DGCE Oc1c(Cl)cccc1CNc1cccc(-n2cnnc2)c1 158060698 GWOISHWNBRZFGK-UHFFFAOYSA-N 300.749 3.238 10 10 DGCE OCC[C@@H]1CCCCN1Cc1ccc(N2CCCCC2)cc1 159705318 SLMPDGMLJBYBDF-SFHVURJKSA-N 302.462 3.414 10 10 DGCE CCN(CCCO)c1c(F)cc(CNC(C)(C)C)cc1F 165270415 BHUDSIGIWONPDH-UHFFFAOYSA-N 300.393 3.062 10 10 DGCE CO[C@@H](C)c1nc(C)c(C(=O)N(C)Cc2ccccc2O)s1 175239644 SWYFZBQGKUQHLI-NSHDSACASA-N 320.414 3.137 10 10 DGCE COC1CCN(c2ccc([C@@H](C)N)c(Br)c2)CC1 234607905 AXIRIUSVZZLPFI-SNVBAGLBSA-N 313.239 3.084 10 10 DGCE CC(C)Oc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1 244009133 SJTGSEOCLYOLBZ-UHFFFAOYSA-N 314.385 3.029 10 10 DGCE O=[N+]([O-])c1ccc(N=Nc2ccc(N3CCNCC3)cc2)cc1 254288414 GGFFQYBNMZRTIQ-UHFFFAOYSA-N 311.345 3.420 10 10 DGCE COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CC3(C)C)ccc21 343388781 LWPFSKQFMTYBJC-KRWDZBQOSA-N 314.429 3.433 10 10 DGCE NCc1cc(F)c(N2CC[C@H]3CCC[C@@H]32)cc1Br 378708136 REKUVNOZYASYCT-RNCFNFMXSA-N 313.214 3.426 10 10 DGCE Cc1ccc(O)c(CN[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c1 381387573 RBCTYOYQYPCEOV-QWHCGFSZSA-N 308.422 3.092 10 10 DGCE COc1cc(Cl)cc(CN[C@@H](C)c2nnc(C)s2)c1O 391868022 WPBGCZFYJUMPJW-ZETCQYMHSA-N 313.810 3.065 10 10 DGCE CCC[C@@H](c1c([N+](=O)[O-])ccc(Cl)c1O)N1CCOCC1 575302225 JLDWHNNFRYICEZ-NSHDSACASA-N 314.769 3.127 10 10 DGCE Nc1ccc(N2CCC(OCC(=O)c3ccccc3)CC2)cc1 585879463 HPEJDYXLDRHACY-UHFFFAOYSA-N 310.397 3.137 10 10 DGCE COc1ccc(O)c([C@H](C)Nc2cnn(-c3ccncc3)c2)c1 756867896 NBLUGQXAXGCDSA-LBPRGKRZSA-N 310.357 3.155 10 10 DGCE CCN(Cc1cc(C)cc(Br)c1O)[C@H]1CCOC1 812780719 PCHDBWJLTCPLRG-LBPRGKRZSA-N 314.223 3.074 10 10 DGCE COc1ccc(N2CC[C@@H](NCC3Cc4ccccc4C3)C2)cc1 826846571 WEBBQDCPDORAMW-LJQANCHMSA-N 322.452 3.279 10 10 DGCE CCOc1ccc(NCc2cc(OC)c(OC)cc2O)nc1C 827728704 NQLJXZLRTSXZQY-UHFFFAOYSA-N 318.373 3.124 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCO[C@H](C(F)(F)F)C2)cc1 835025876 MICGULCIEYDTHJ-BWPKMQGJSA-N 314.351 3.029 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1C[C@H]1C1CC1 838722188 AHEWZFVLNWVKIG-HOTGVXAUSA-N 302.418 3.360 10 10 DGCE CCc1ncc(CN[C@H]2CCN(c3ccc(OC)cc3)C2)s1 850347116 NQXHQXZWIAJPGR-ZDUSSCGKSA-N 317.458 3.083 10 10 DGCE C[C@@]1(CNCc2cc(Cl)cc([N+](=O)[O-])c2O)CC1(F)F 850379699 VPHZLNYFCOYTCT-NSHDSACASA-N 306.696 3.089 10 10 DGCE COc1ccc(N2CC[C@H](Nc3nc4ccccc4[nH]3)C2)cc1 853758904 MKLBQWDBUDRUDZ-ZDUSSCGKSA-N 308.385 3.262 10 10 DGCE O=C(c1cccc(O)c1O)N(Cc1ccccc1F)CC1CC1 855882075 KCWSFBLLRSTTBR-UHFFFAOYSA-N 315.344 3.289 10 10 DGCE c1cc(N2CCOCC2)ccc1CN1CCCC2(CC1)CC2 862539944 YXFZDDOHHSHBRZ-UHFFFAOYSA-N 300.446 3.289 10 10 DGCE C[C@H](NCC[C@H]1CC(=O)N(C)C1)c1ccc2ccccc2c1O 903214278 UHJQQLLZGBKWMZ-KBPBESRZSA-N 312.413 3.064 10 10 DGCE Cc1cc(C)c(CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)s1 907276190 ZZIGVKCGXGYYAP-LLVKDONJSA-N 319.426 3.066 10 10 DGCE CCn1nc(C)c([C@@H](C)NCc2ccc(N3CCCC3)cc2)n1 924647984 KCHCOHMQEGVFSP-CQSZACIVSA-N 313.449 3.057 10 10 DGCE C[C@@H](NCC[C@H](N(C)C)C(F)(F)F)c1ccc(N(C)C)cc1 926961384 ITAVJAUFTFYKAR-DOMZBBRYSA-N 317.399 3.286 10 10 DGCE CC(=O)c1cc(Cl)cc(CNC2([C@H]3CCCCO3)CC2)c1O 933380010 XUXMFJQVLOHPKB-OAHLLOKOSA-N 323.820 3.440 10 10 DGCE C[C@H](Oc1ccc(F)c(F)c1)C(=O)N[C@H](C)c1ccccc1O 1171723185 NNETYRORSJLSNZ-MNOVXSKESA-N 321.323 3.315 10 10 DGCE COc1ccc(CNC[C@H](C)NC(=O)C(C)(C)C2CC2)cc1C 1268699384 LFWGMHWMUIGEHH-AWEZNQCLSA-N 318.461 3.034 10 10 DGCE Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1cccc(O)c1O 1441480412 KCYXOPYLMCVPBB-CYBMUJFWSA-N 315.369 3.443 10 10 DGCE COc1ccc(CNC(=O)/C=C(\C)c2cccs2)c(O)c1 1467471395 YKCXRASRTBWIJN-DHZHZOJOSA-N 303.383 3.182 10 10 DGCE Cn1ccc2ccc([C@@H]3CN(C(=O)OC(C)(C)C)CCN3)cc21 1535970496 QUEIEXWGSZUNQL-HNNXBMFYSA-N 315.417 3.060 10 10 DGCE Cc1ccc(SCC(=O)NCc2ccc(O)cc2O)c(C)c1 1557084582 GKGCUOAVTAFRCR-UHFFFAOYSA-N 317.410 3.123 10 10 DGCE COCc1sccc1C(=O)NCc1cccc(Cl)c1O 1558757456 FNZGLVVMNYCUKR-UHFFFAOYSA-N 311.790 3.184 10 10 DGCE CCN(C(=O)/C=C(\C)c1cnccn1)c1ccc2[nH]ccc2c1 1585233397 BJRJIRGXJZXQFJ-JLHYYAGUSA-N 306.369 3.414 10 10 DGCE Cc1ccc(SCCC(=O)NCc2c(O)cccc2O)cc1 1639288997 FRVVMEMCPFWYCM-UHFFFAOYSA-N 317.410 3.205 10 10 DGCE Cc1ncoc1-c1ccc(NC(=O)c2cccc(O)c2O)cc1 1645010542 YLWRYDNUFNXFPD-UHFFFAOYSA-N 310.309 3.314 10 10 DGCE Cc1ccnc(NCc2ccc3cccnc3c2O)c1[N+](=O)[O-] 1651160644 ADGRPPBXCQAEMX-UHFFFAOYSA-N 310.313 3.164 10 10 DGCE CC/C=C\CNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C 1686574021 LWSUUBSRYLAGGN-ZPIQOJFGSA-N 303.450 3.257 10 10 DGCE Cc1cc(F)c(CNC(=O)N2Cc3cccc(O)c3C2)c(F)c1 1687702219 YWUZVGROVTVHKJ-UHFFFAOYSA-N 318.323 3.204 10 10 DGCE CC(=O)[C@H](C)OC(=O)CCn1c2c(c3ccccc31)CCCC2 1849734625 ZVNZKGGCQKQMSX-AWEZNQCLSA-N 313.397 3.431 10 10 DGCE COc1ccc(C2=NN(C)C(=O)/C2=C/c2cccc(F)c2)cc1 1865678784 DKHNYKLPUONSDW-LFIBNONCSA-N 310.328 3.094 10 10 DGCE Cc1cc(Br)cc(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)c1 1912167911 QLYLGYZFSJJUJJ-LLVKDONJSA-N 309.167 3.282 10 10 DGCE Cc1ccnc(C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)c1Br 1912207087 JHEWOHYCBGCSTE-SECBINFHSA-N 324.182 3.067 10 10 DGCE O=C(c1ccc(O)c(O)c1)N(Cc1ccccc1)CC(F)F 1931992011 ZJBXVWZNBWQHHW-UHFFFAOYSA-N 307.296 3.005 10 10 DGCE C[C@H](N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1ccc(F)cc1O 1938282008 PIWVVZORGCIOSK-WCFLWFBJSA-N 324.396 3.238 10 10 DGCE C[C@H](NCc1cccc(Br)c1O)[C@H]1CCSC1 1942256188 YMHJZDQZYDOQMV-ONGXEEELSA-N 316.264 3.386 10 10 DGCE CC[C@@]1(NC(=O)OC(C)(C)C)CCCN(CCCN=[N+]=[N-])C1 1962287120 FSOCCXSWWZVFNR-OAHLLOKOSA-N 311.430 3.456 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CN(CCCCN=[N+]=[N-])C(C)(C)C1 1962302584 ALIZMQADVCXCNM-GFCCVEGCSA-N 311.430 3.455 10 10 DGCE C[C@]1(NCc2ccc(F)cc2O)CCN(Cc2ccccc2)C1 1964554820 PLTQJMGUVQFEMH-IBGZPJMESA-N 314.404 3.286 10 10 DGCE CC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](O)c1ccc(N(C)C)cc1 1977959144 QNQSXZWXJPWCFU-XJKSGUPXSA-N 322.449 3.337 10 10 DGCE Oc1cc(C(F)(F)F)ccc1CNCCNCc1ccccc1 1980642478 STFVLUWNSULWDK-UHFFFAOYSA-N 324.346 3.290 10 10 DGCE CC(C)(C)OC(=O)NC[C@H]1C[C@@](N)(c2ccccc2O)C1(C)C 1981683307 XSRSWJNDZZMGEW-KZULUSFZSA-N 320.433 3.117 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@]2(CCCN(CCCN=[N+]=[N-])C2)C1 1982241277 GYVOBXAPYXKGGM-MRXNPFEDSA-N 323.441 3.410 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H](C2CC2)[C@@H](Oc2ccc(N)cc2)C1 1992468971 PVJHPMBTLMOTRV-CVEARBPZSA-N 318.417 3.293 10 10 DGCE C[C@@H]1CN(Cc2ccc(Br)cc2O)CC1(F)F 1996515710 ZWCZJPLCGUGWNS-MRVPVSSYSA-N 306.150 3.242 10 10 DGCE CSCC1CN(c2ccc([C@@H](C)N)c(Br)c2)C1 1998189864 HNDRWSBELSOQBL-SECBINFHSA-N 315.280 3.268 10 10 DGCE COc1ccc([C@H](C)NCCC=CBr)c(O)c1 2004057997 DPXGGDSXGXUXSZ-JTQLQIEISA-N 300.196 3.350 10 10 DGCE N[C@@H]1CC=C(CN2CCCc3c(Br)cccc32)C1 2028396892 KFLSLYZAQVENEJ-GFCCVEGCSA-N 307.235 3.249 10 10 DGCE Oc1cccc(Br)c1Cn1ccc(C(F)F)n1 2070099188 IKYQRYWZXXUNCC-UHFFFAOYSA-N 303.106 3.337 10 10 DGCE Cc1cc(CN(C)c2ccc([C@H](C)N)cc2Br)on1 2114173142 PIISJZWAMOAEJX-JTQLQIEISA-N 324.222 3.402 10 10 DGCE CC[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@H]1N(C)C 2170467187 NGFYNEJTOAHLPO-IINYFYTJSA-N 317.260 3.471 10 10 DGCE COCC[C@@H]1CCCN(c2cc(Cl)c(CN)cc2F)C1 2177385421 MXSNXVWYBOYMOP-NSHDSACASA-N 300.805 3.191 10 10 DGCE CNCc1ccc(N(C)[C@@H]2CS[C@H](C(F)(F)F)C2)cc1 2189460800 DYXHXFOZEYPYSC-STQMWFEESA-N 304.381 3.279 10 10 DGCE CC(C)(C)[C@@H]1COCCN1c1cc(Cl)c(CN)cc1F 2191932534 BMRLFIAVKUNAAR-AWEZNQCLSA-N 300.805 3.189 10 10 DGCE CN(C[C@H](F)C1CCOCC1)c1ccc(CO)c(Cl)c1 2238336458 LFFSBNFECGKLPZ-HNNXBMFYSA-N 301.789 3.033 10 10 DGCE COc1ncc(CN(C)c2ccc([C@@H](C)N)c(Cl)c2)s1 2239976463 ZRNLFHDOFIIXHL-SECBINFHSA-N 311.838 3.461 10 10 DGCE Cc1cc(C=CC(=O)N[C@H]2CCOC2)c(C)n1-c1ccccc1 2303399498 VWKFZTPLQWVRRA-KRWDZBQOSA-N 310.397 3.012 10 10 DGCE Cc1ccc(CN(C)c2c(C)cnn2C)c(O)c1Br 2352636435 LJAANBIDDDBAKM-UHFFFAOYSA-N 324.222 3.141 10 10 DGCE Cc1nc(C)c(CNCc2ccc(C)c(Br)c2O)[nH]1 2352670526 JMXDTJKTPQKNQK-UHFFFAOYSA-N 324.222 3.093 10 10 DGCE CCCn1cc(Cl)cc1C(=O)NCCc1ccc(N)cc1 63129685 NASZUBTZEYKWLM-UHFFFAOYSA-N 305.809 3.106 10 10 DGCE COc1ccc([C@H]2CCN(Cc3ccc(OC)cc3O)C2)cc1 92783654 UYWZYDAGYJEYHQ-HNNXBMFYSA-N 313.397 3.399 10 10 DGCE C[C@@H](c1cc(Br)ccc1O)N1C[C@@H](C)O[C@H](C)C1 131913380 QBVILXPXNABSTA-MXWKQRLJSA-N 314.223 3.325 10 10 DGCE CCCNc1nc(OCCC)nc(Sc2nccs2)n1 150292309 JEZIUACPQCGGEB-UHFFFAOYSA-N 311.436 3.090 10 10 DGCE CCNCc1ccc(N(C)CCOCC)cc1C(F)(F)F 167385997 OCCYURKKKZHLGW-UHFFFAOYSA-N 304.356 3.288 10 10 DGCE COc1ccccc1[C@@H](O)CN[C@H](C)c1cc(C)ccc1O 185096583 LMPUZCKJBFFBRX-DYVFJYSZSA-N 301.386 3.093 10 10 DGCE COc1ccc(CNCCc2cc(C)c(O)c(C)c2)c(O)c1 190397244 NVYSDIGTJDMRPG-UHFFFAOYSA-N 301.386 3.056 10 10 DGCE Cc1ccc([C@H](C)NCC2CCC3(CC2)OCCO3)c(O)c1 193374469 FVGOZMQAMFLXHM-AWEZNQCLSA-N 305.418 3.285 10 10 DGCE Cc1cc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cnn1 276133576 ZIWDSJCAXYHYPT-UHFFFAOYSA-N 324.428 3.048 10 10 DGCE CCC[C@@H]1COC[C@@H]1NCc1c(O)cccc1Br 706881288 NVXPVOKAJJHNSF-MFKMUULPSA-N 314.223 3.059 10 10 DGCE C[C@@H]1CCN(Cc2c(O)cccc2Br)C[C@@H](C)O1 707144983 CKUQNERLBZUWCO-GHMZBOCLSA-N 314.223 3.154 10 10 DGCE Oc1ccc2ccccc2c1CN[C@H]1CCCC2(C1)OCCO2 715669855 JPPBTVAKCQGSER-HNNXBMFYSA-N 313.397 3.321 10 10 DGCE CN(CC1CC1)C(=O)CN(Cc1ccccc1O)C1CCCC1 732204583 OCKSQEHCONVKDU-UHFFFAOYSA-N 316.445 3.005 10 10 DGCE CC(C)(C)c1cccc2c1OCCN2C(=O)/C=C\c1cnccn1 781642376 GULMOLLQQMXOLF-FPLPWBNLSA-N 323.396 3.213 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)OC[C@@H]1C[C@H]1c1ccccc1 812590066 STRHPDQXNNIMHU-GFXFGIRVSA-N 310.349 3.458 10 10 DGCE CN1C[C@@H]2[C@H](CCN2Cc2cc(-c3ccccc3)ccc2O)C1 814172898 CUFPUAUJNNVWDJ-IEBWSBKVSA-N 308.425 3.195 10 10 DGCE CCOc1ccc(CN2C[C@H](C)O[C@@](C)(C(F)F)C2)c(O)c1 827962069 FKKHQPLMAKTEEG-MEDUHNTESA-N 315.360 3.035 10 10 DGCE Cc1ccc([C@@H](C)NC[C@@H](C)N2C[C@H](C)O[C@H](C)C2)c(O)c1C 848557029 DXGPFXIWGBCCQJ-PNBKFKSVSA-N 320.477 3.157 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@H](C)CCc3ccco3)C2)cc1 850489248 SFVGLCYAFVKOFK-HZPDHXFCSA-N 314.429 3.478 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)[C@]3(C)CCC[C@H]3C)C2)cc1 855226979 RUKGCRQHJRTSGE-ZRGWGRIASA-N 316.445 3.216 10 10 DGCE Cc1ccc([C@H](C)N[C@H]2C(=O)N(C)Cc3ccccc32)c(O)c1C 857875137 HFURNZDIKRYGBT-KBXCAEBGSA-N 324.424 3.373 10 10 DGCE Cc1ccc(O[C@@H]2CCN(Cc3cc(C)c(C)cc3O)C2)nc1 858013301 REDBXYDLQQGIRB-QGZVFWFLSA-N 312.413 3.366 10 10 DGCE C[C@@H]1C[C@H](N[C@H]2CCCn3nccc32)c2c(O)ccc(F)c21 866634500 ROYHNIAZFLXLCE-WXHSDQCUSA-N 301.365 3.401 10 10 DGCE Cc1csc([C@@H]2CCN(Cc3cc(F)cc(F)c3O)C2)n1 895473039 NFWXGRLEDFVBQJ-SNVBAGLBSA-N 310.369 3.425 10 10 DGCE O=C(c1cc2cc(O)c(O)cc2s1)N1CCC2(CCC2)C1 896966981 ZLQFUQRSIKAHID-UHFFFAOYSA-N 303.383 3.329 10 10 DGCE C[C@H](N[C@H](CCN(C)C)c1cccnc1)c1c(O)cccc1F 903379519 XIZASDFQPBTWGG-XJKSGUPXSA-N 317.408 3.270 10 10 DGCE CN1CCCc2cc(CN[C@@H](C3CCC3)[C@@H]3CCOC3)ccc21 924870943 MNWLDVXWGQLWMV-QUCCMNQESA-N 314.473 3.364 10 10 DGCE COc1ccc(N2CCN(CCC(C)(C)C)CC2)c(OC)c1 1202114620 BOBBNPXBUFABNS-UHFFFAOYSA-N 306.450 3.262 10 10 DGCE COc1cccc(CNC(=O)[C@H](C)c2ccc(Cl)cc2)c1O 1294924348 BDLVTHQGENARTM-LLVKDONJSA-N 319.788 3.474 10 10 DGCE COc1ccc(COCCN(C)c2ccc(OC)cc2)cc1 1307905677 PQCHNRDVNAMCJL-UHFFFAOYSA-N 301.386 3.357 10 10 DGCE COc1ccc(N(C)C(=O)/C=C\c2cnc3ccccc3n2)cc1 1461355284 NJLDHSNHOVZKFY-GHXNOFRVSA-N 319.364 3.315 10 10 DGCE Cc1ccc(Cl)c2c1CCCN2C(=O)/C=C/c1cn(C)cn1 1528789605 KCFVMBYCTFHEHT-SOFGYWHQSA-N 315.804 3.375 10 10 DGCE C/C(=C\C(=O)N1CCCc2c(F)ccc(F)c21)c1cnccn1 1535135434 QITPMIYBBYQDAQ-PKNBQFBNSA-N 315.323 3.138 10 10 DGCE CC(C)N(Cc1ccc(F)cc1)C(=O)c1cccc(O)c1O 1542391799 OQIANMDMGNLUOS-UHFFFAOYSA-N 303.333 3.288 10 10 DGCE O=C(c1ccc(OC(F)F)cc1F)N1Cc2cccc(O)c2C1 1643173719 RHGJTAPMPSXCGU-UHFFFAOYSA-N 323.270 3.289 10 10 DGCE CC[C@@H](C)OC(=O)CCNCc1ccc(N(CC)CC)cc1 1857869910 ZFQBYAIIZFHVHG-OAHLLOKOSA-N 306.450 3.354 10 10 DGCE Fc1ccc(F)c(/N=N/N2CCN(c3ccccn3)CC2)c1 1860488515 UVJZQFJLGHQOGU-FMQUCBEESA-N 303.316 3.181 10 10 DGCE Cc1ccnc(C(=O)NCc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)c1 1889952050 MILFKNMUIUHKJH-WMZOPIPTSA-N 321.424 3.309 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN(Cc2sncc2Br)C1 1912171602 MWVRFAMHWCJHEQ-MRVPVSSYSA-N 316.228 3.428 10 10 DGCE CN[C@H](c1ccccc1O)[C@@]1(C)CCN1C(=O)OC(C)(C)C 1912908717 AWVUUJWUVMIYEH-RHSMWYFYSA-N 306.406 3.052 10 10 DGCE C[C@@H](O)c1ccc(N(CCCO)Cc2ccccc2)c(F)c1 1914642628 DBRLHBBDVZOLLO-CQSZACIVSA-N 303.377 3.268 10 10 DGCE NC1(c2ccccc2O)C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 1938314298 PABYWNRXPPHLKM-XEWABKELSA-N 308.425 3.373 10 10 DGCE CC(C)(C)OC(=O)N1c2ccccc2C[C@H]1[C@@H](CO)N=[N+]=[N-] 1951357115 BEOLKHOOYRCPIN-YPMHNXCESA-N 304.350 3.024 10 10 DGCE COC(C)(C)[C@H](N)c1cccc(NC(=O)OC(C)(C)C)c1O 1952563645 CNJMIIZLLGQCMW-CYBMUJFWSA-N 310.394 3.164 10 10 DGCE N[C@@H]1CCCc2cc(N(CCCO)Cc3ccccc3)ccc21 1986601751 XWMSNKSRKPLWNA-HXUWFJFHSA-N 310.441 3.412 10 10 DGCE C[C@@H]1CN(Cc2c(O)cccc2Br)CC1(F)F 1996514977 UMNQALSAPJMISK-MRVPVSSYSA-N 306.150 3.242 10 10 DGCE COc1ccc([C@@H](N)c2ccccc2O)cc1Br 2029558270 JASPMEIWIWFZHM-CQSZACIVSA-N 308.175 3.211 10 10 DGCE Cc1ccc(Br)c(COCc2ccc(N)cc2)n1 2049902057 TWMKZACPAOMBLQ-UHFFFAOYSA-N 307.191 3.452 10 10 DGCE CO[C@@H]1C[C@@H]2C[C@H](Nc3c(N)cccc3Br)[C@H]2C1 2070342794 HGBODEPEXRMSMT-DNJQJEMRSA-N 311.223 3.257 10 10 DGCE C[C@H](c1ccccc1O)N(C)c1cc(Br)cnn1 2072467196 OTYMPJPFPUDJJI-SECBINFHSA-N 308.179 3.142 10 10 DGCE Cc1ccc(Cn2nc(C3CC3)c(N)c2C(F)(F)F)c(O)c1 2079125644 SXPWIRCDPYRGOY-UHFFFAOYSA-N 311.307 3.424 10 10 DGCE CCc1nn([C@@H](CC)c2ccc(OC)cc2O)c(Cl)c1CO 2079976875 DRKQQMZLHVPOIZ-AWEZNQCLSA-N 324.808 3.305 10 10 DGCE Cc1cc(N(C)C[C@]2(Br)CC2(F)F)ccc1CO 2082516521 DHQZXEZQVHYNIO-GFCCVEGCSA-N 320.177 3.096 10 10 DGCE CN[C@@H](C)c1ccc(N(C)Cc2cocn2)c(Br)c1 2104104613 MEDOZBBRLJCIMG-JTQLQIEISA-N 324.222 3.354 10 10 DGCE COCC(CCNCc1cc(Cl)cc(Cl)c1O)COC 2187548629 YZQLXKITXVULIC-UHFFFAOYSA-N 322.232 3.088 10 10 DGCE C[C@H](CN(Cc1cc(Cl)cc(Cl)c1O)C1CC1)C(=O)O 2187727232 JYQIRZFPOPQZJU-MRVPVSSYSA-N 318.200 3.384 10 10 DGCE CN(c1ccc(CN)c(F)c1)[C@H]1CS[C@@H](C(F)(F)F)C1 2189456015 ZCIVKNHNETVRFN-ZYHUDNBSSA-N 308.344 3.157 10 10 DGCE CN[C@H](C)c1cc(F)c(N2CCSC[C@@H](C)C2)c(F)c1 2194707249 CSXLDXXBFSKBOO-WDEREUQCSA-N 300.418 3.435 10 10 DGCE CSc1ncc(CNC[C@H]2CC[C@H](C(F)(F)F)O2)s1 2208786739 PKJBQUNZUFEKMV-VXNVDRBHSA-N 312.382 3.065 10 10 DGCE CN(c1ccc(CN)c(Br)c1)[C@@H]1CC2C[C@@H]3C1[C@@H]3C2 2264492616 MTPKVFYHKMYGBF-JUICXUFHSA-N 321.262 3.389 10 10 DGCE CN[C@@H](C)c1ccc(N2CC(P(C)(C)=O)C2)c(Cl)c1 2270656345 MUDSZHXJTBOMMY-JTQLQIEISA-N 300.770 3.432 10 10 DGCE CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=Cc1ccc(C)o1 2293245290 WZGQQPFHUKBFPE-UHFFFAOYSA-N 311.297 3.302 10 10 DGCE CC[C@H](C(=O)O)N1C(=O)C(=Cc2ccccc2C)SC1=S 2293308632 LWOCLZPLNOKPDH-LLVKDONJSA-N 321.423 3.059 10 10 DGCE Cc1ccc(CN[C@H]2CSC[C@@H]2C)c(O)c1Br 2307478331 WWUTVIZQUOHDIX-ONGXEEELSA-N 316.264 3.304 10 10 DGCE CN1CCCc2cc(NC(=O)C=Cc3ccc(O)c(O)c3)ccc21 2308001133 CRKNHCCNNPRCDN-UHFFFAOYSA-N 324.380 3.132 10 10 DGCE CC[C@@H](NC[C@@H]1C[C@H]1OC)c1cc(Br)ccc1O 2310634487 HGDWZRBKRHZPAZ-MRCXROJRSA-N 314.223 3.230 10 10 DGCE Fc1ccc(N=NN2CCN(c3ccccn3)CC2)c(F)c1 2330251805 AYVMPGKJKBJNJZ-UHFFFAOYSA-N 303.316 3.181 10 10 DGCE CN1N=C(c2ccccc2)C(=Cc2cc(Cl)ccc2O)C1=O 2332107690 UQMAOLYQOZMFRQ-UHFFFAOYSA-N 312.756 3.305 10 10 DGCE Nc1ccc(Nc2ncc(Br)cc2[N+](=O)[O-])cc1 40713337 BHULGHRYZIQXLY-UHFFFAOYSA-N 309.123 3.078 10 10 DGCE C[C@@H](NC(=O)COc1ccc(N)cc1)c1ccc(Cl)s1 49126423 IIQSMYRJFNQVEM-SECBINFHSA-N 310.806 3.240 10 10 DGCE CN(Cc1ccccc1O)C(=O)NCc1cc(F)cc(F)c1 79145322 XRGKCCIGEOEYAB-UHFFFAOYSA-N 306.312 3.012 10 10 DGCE Cc1cc(OCCC(F)(F)F)ccc1N1CCC[C@H](N)C1 157876607 BGLPOUUXSAJXIL-LBPRGKRZSA-N 302.340 3.254 10 10 DGCE C[C@H](Nc1ccc(CN2CCOCC2)cc1)c1ccccc1O 192948900 HIIHGDABHPOVBQ-HNNXBMFYSA-N 312.413 3.398 10 10 DGCE COc1cc(Cl)cc(CN[C@@H]2CCC[C@H]2SC)c1O 230934924 BOIBWAMEMISNRA-DGCLKSJQSA-N 301.839 3.428 10 10 DGCE CN(C)c1ncccc1NCc1cc(Br)ccc1O 234237610 QLAMJENKJDJDIP-UHFFFAOYSA-N 322.206 3.228 10 10 DGCE C[C@H]1CCC[C@H](C)N1NCc1cc(Br)ccc1O 235582196 GPBUYQWPMCJFEC-QWRGUYRKSA-N 313.239 3.422 10 10 DGCE CC(C)Oc1ccc(N2CCN(C(=O)C(C)(C)C)CC2)cc1 244185127 VLIQCPYSGDLQSC-UHFFFAOYSA-N 304.434 3.169 10 10 DGCE C[C@H](C[S@@](C)=O)N[C@H](C)c1ccc(N2CCCCCC2)cc1 248507042 XEGFMPQYYNKISI-XCGNWRKASA-N 322.518 3.485 10 10 DGCE NCc1ccc(N(CCO)Cc2ccccc2)cc1C(F)(F)F 302933565 ZHQFMKSABMVXOE-UHFFFAOYSA-N 324.346 3.163 10 10 DGCE COCC[C@@H](COC)N[C@H](C)c1ccc2ccccc2c1O 320464314 KYOBWCWMWXPWHQ-HIFRSBDPSA-N 303.402 3.248 10 10 DGCE COc1cc(Cl)cc(CN[C@H](C)c2nnc(C)s2)c1O 391868020 WPBGCZFYJUMPJW-SSDOTTSWSA-N 313.810 3.065 10 10 DGCE COc1ccc(CCN[C@@H](C)c2ccc(C)c(C)c2O)cn1 527992339 YLBCSDIVATYRFF-AWEZNQCLSA-N 300.402 3.306 10 10 DGCE Oc1cc(F)c(Cl)cc1CNC[C@@H]1CCN1C1CCCC1 529669330 LTGRUMKDJKUIBM-ZDUSSCGKSA-N 312.816 3.291 10 10 DGCE CCN(C(=O)OC(C)(C)C)[C@@H](CN)c1ccc(N(C)C)cc1 698307668 KYRVRMWDVHHMJR-HNNXBMFYSA-N 307.438 3.009 10 10 DGCE Nc1ccc(CN2C[C@H]3C[C@@H](CN(Cc4ccccc4)C3)C2)cc1 719388482 RGSSFEPRTFDSAY-PMACEKPBSA-N 321.468 3.223 10 10 DGCE COc1nscc1CN(C)c1ccc([C@H](C)O)c(Cl)c1 723221688 SCMRORDZEJDKLW-VIFPVBQESA-N 312.822 3.495 10 10 DGCE CCCN(CCC)c1ccc(/C=C2/SC(=N)NC2=O)cc1 733781079 JRGBLROCVNKWCN-SDNWHVSQSA-N 303.431 3.452 10 10 DGCE Oc1cc2c(cc1CN1CC[C@@H](Cc3ccncc3)C1)CCC2 782291843 QHEFZHAVPWXQRR-INIZCTEOSA-N 308.425 3.341 10 10 DGCE COc1ccc(N2CC[C@H](CN[C@@H]3CCCSC3)C2)cc1 818222881 XNNIDEAFRIRAEM-HUUCEWRRSA-N 306.475 3.007 10 10 DGCE Cc1cccc(CN2CCN(CC(F)(F)F)C[C@@H](C)C2)c1O 825124119 ICVLBHYMDHOWCV-LBPRGKRZSA-N 316.367 3.017 10 10 DGCE C[C@H](N[C@@H](C)[C@](C)(O)c1ccccc1)c1cc(F)ccc1O 846186536 GXHFRWCPCPPBRF-LXIYXOSZSA-N 303.377 3.478 10 10 DGCE CCc1cccc(CNc2cccc([C@H]3CNC(=O)C3)c2)c1O 848890730 KTSWLKKBAHDOKB-MRXNPFEDSA-N 310.397 3.170 10 10 DGCE Oc1cccc2c1[C@H](N[C@@H]1CNCC[C@@H]1c1ccccc1)CC2 854221942 CCWNHRSHSBVMRG-KZNAEPCWSA-N 308.425 3.115 10 10 DGCE C[C@H](CC(=O)N1Cc2cccc(O)c2C1)C(=O)c1ccccc1 871202259 BKFYGNIAZBDSNF-CYBMUJFWSA-N 309.365 3.144 10 10 DGCE COC[C@@H]1CCN1Cc1cc(Cl)cc(Br)c1O 894857690 PNPYVXVNAPZACL-JTQLQIEISA-N 320.614 3.029 10 10 DGCE CN(CCOC(C)(C)C)C(=O)c1cc2cc(O)c(O)cc2s1 897051591 INRWZQRLZSIGFA-UHFFFAOYSA-N 323.414 3.200 10 10 DGCE Nc1ccc2c(c1)CN(Cc1cc(Cl)ccc1O)CCO2 903946814 BEOQIJNTXGRJTK-UHFFFAOYSA-N 304.777 3.022 10 10 DGCE CCn1nc(C(=O)NCc2cc(Cl)ccc2O)cc1C1CC1 911899307 WAHDPOVDFMSKBH-UHFFFAOYSA-N 319.792 3.069 10 10 DGCE C[C@H]1C[C@@H](N[C@H]2C[C@@H]3OC(C)(C)O[C@@H]3C2)c2c(O)ccc(F)c21 927059562 DIBFOXNHKSHOQJ-ZCNHVBTFSA-N 321.392 3.352 10 10 DGCE Cc1cc(C(=O)NCc2c(O)cccc2F)c(C)n1C(C)C 928709938 ODGOVBDOWDBTMJ-UHFFFAOYSA-N 304.365 3.461 10 10 DGCE Cc1ccc(CO[C@@H](C)C(=O)NCc2c(O)cccc2F)cc1 928710087 GTUFEBVNHSSWPH-ZDUSSCGKSA-N 317.360 3.061 10 10 DGCE O=C(NCc1cc(O)ccc1O)[C@@H]1CCCC[C@H]1C(F)(F)F 1153884649 DRIWBXNQLJPNFE-VXGBXAGGSA-N 317.307 3.083 10 10 DGCE COc1ccc(-c2nccc(N(C)Cc3ccccc3O)n2)cc1 1185839088 ZBJGDMNCUZAOSY-UHFFFAOYSA-N 321.380 3.494 10 10 DGCE C[C@H](NC(=O)NCc1c(O)cccc1F)c1c(F)cccc1F 1251171304 PJULVPIIERJKJG-VIFPVBQESA-N 324.302 3.370 10 10 DGCE C[C@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccccc1O 1302538488 SIINHHXECCUURS-CRALRDPISA-N 311.337 3.012 10 10 DGCE O=C(c1cccnc1SC(F)F)N1Cc2cccc(O)c2C1 1302788568 XWLORCOLWDVHHC-UHFFFAOYSA-N 322.336 3.258 10 10 DGCE CCN(C(=O)/C=C/c1cn(C)cn1)c1ccc(Cl)c(F)c1 1530330702 UANUQEJTKQLYFP-QPJJXVBHSA-N 307.756 3.279 10 10 DGCE COc1ccc2cc(C(=O)N3Cc4cccc(O)c4C3)cnc2c1 1636230939 KUJMZJKTFRCZGF-UHFFFAOYSA-N 320.348 3.105 10 10 DGCE Cc1ccc(O)c(CN=c2nc(-c3ccncc3)[nH]c(C)c2C)c1 1652057379 SCRFVFOKLUWWEH-UHFFFAOYSA-N 320.396 3.203 10 10 DGCE CCC(=O)N[C@@H](CNCc1ccc(OC)c(C)c1)CC(C)C 1698865821 OKKAFJQGDGVTOK-MRXNPFEDSA-N 306.450 3.034 10 10 DGCE CCCNC(=O)[C@H]1CCc2c(c3cc(Cl)ccc3n2C)C1 1858153603 NRAZIJNTUYKSJM-NSHDSACASA-N 304.821 3.463 10 10 DGCE Nc1cccc(Br)c1N[C@@H]1[C@H]2CCC(F)(F)[C@H]21 1906963304 YTVAMMDGIVTTJA-WQGWLQIFSA-N 303.150 3.487 10 10 DGCE CCCN[C@@H](c1ccccc1O)[C@@H]1CCN1C(=O)OC(C)(C)C 1912940465 MXPNAVADDIRSLE-HOCLYGCPSA-N 320.433 3.442 10 10 DGCE CN[C@@H](c1ccccc1O)[C@@H]1CC[C@@H]1CNC(=O)OC(C)(C)C 1940100048 YOFXPGDYJZMFGC-XJKCOSOUSA-N 320.433 3.204 10 10 DGCE C[C@](N)(c1cc(Cl)cc(Br)c1O)C(F)F 1952673932 GUXHYJTWIWJIDY-VIFPVBQESA-N 300.530 3.247 10 10 DGCE C[C@H]1CN(CCN=[N+]=[N-])C[C@H](C)N1C(=O)OCc1ccccc1 1954206958 ODDZPRHDRAWSCF-KBPBESRZSA-N 317.393 3.028 10 10 DGCE CC(C)(O)C1CC(NCc2cc(Cl)cc(Cl)c2O)C1 1965943913 IBVLVLBYZTUHOP-UHFFFAOYSA-N 304.217 3.338 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H](Nc2ccc(N)cc2)[C@@H]2CCC[C@@H]21 1977662073 FMNYXGHYHGBTOO-JYJNAYRXSA-N 317.433 3.469 10 10 DGCE CC(C)(C)OC(=O)N1CCCC2(C1)CN(c1ccc(N)cc1)C2 1977899504 VJFPESBLPKAUDZ-UHFFFAOYSA-N 317.433 3.106 10 10 DGCE CN[C@@H](c1ccc(Cl)s1)[C@H](O)c1ccc(N(C)C)cc1 2147640323 DBGFRMHTSZWVRW-LSDHHAIUSA-N 310.850 3.462 10 10 DGCE CN[C@@H](c1ccc2c(c1)CCCN2C)[C@H]1CSCCS1 2163096273 HRQARQOJWWLPOZ-CVEARBPZSA-N 308.516 3.178 10 10 DGCE COc1ccc(Br)c(CN[C@]2(C)C=CCC2)c1O 2220462770 QPRAVNXGVZSMKO-CQSZACIVSA-N 312.207 3.362 10 10 DGCE CC[C@@H]1CN(c2ccc(OC)cc2Br)[C@@H](C)CN1 2221629822 ZBQPPZVWWUGBLW-WDEREUQCSA-N 313.239 3.034 10 10 DGCE CSc1ncc(CNC(=O)c2ccc(C)nc2Cl)s1 2269314847 BUCMBKONSQCGAT-UHFFFAOYSA-N 313.835 3.152 10 10 DGCE O=C1NC(=S)SC1=Cc1cnc(-c2ccccc2)s1 2297444696 NBUQNXCJHNTBCQ-UHFFFAOYSA-N 304.421 3.299 10 10 DGCE Cc1ccc(CN2C[C@@H](F)C[C@H](F)C2)c(O)c1Br 2327570166 GTIOPROOZSSHMG-QWRGUYRKSA-N 320.177 3.345 10 10 DGCE CN1C=CC=C/C1=C1/SC(=S)N(c2ccccc2)C1=O 1233112 JOTYPKOPOQNMCZ-SEYXRHQNSA-N 300.408 3.278 10 10 DGCE Oc1c(F)cccc1[C@@H](Nn1cnnc1)c1ccccc1Cl 1260806 MEOVBYDCVJLTQT-AWEZNQCLSA-N 318.739 3.109 10 10 DGCE COc1ccc(Cc2nccn2Cc2ccc(N)cc2)cc1OC 82734327 DYLJZUWWJRDUKR-UHFFFAOYSA-N 323.396 3.122 10 10 DGCE Cc1cc(N2CCC(N)CC2)ccc1OCCC(F)(F)F 83880681 UPOYYCOSRMXPOM-UHFFFAOYSA-N 302.340 3.254 10 10 DGCE CCN1C=C(C)c2ccccc2/C1=C1\SC(=S)NC1=O 103592031 XCZALAGHVMZUBZ-OUKQBFOZSA-N 302.424 3.199 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCc2noc(C)n2)c1 118647866 COQNGBSFEYIBMV-UHFFFAOYSA-N 324.384 3.024 10 10 DGCE CN(C[C@H]1CCCOC1)c1ccc(CN)cc1C(F)(F)F 163718944 ROKKSTZFOKTOEU-GFCCVEGCSA-N 302.340 3.027 10 10 DGCE C[C@H](N[C@@H](C)[C@@H]1CCCO1)c1cc(Br)ccc1O 185000297 PSZNNPRFKWKULJ-BHDSKKPTSA-N 314.223 3.373 10 10 DGCE FC(F)(F)Oc1ccc2c(c1)CCCN2Cc1ncccn1 192085876 MLUIBMWVPVIWJU-UHFFFAOYSA-N 309.291 3.328 10 10 DGCE COc1ccc(N(CC[C@H]2CCOC2=O)[C@@H](C)C2CC2)cc1 247096261 YUFFJVDRCMWMIP-ZFWWWQNUSA-N 303.402 3.253 10 10 DGCE Cc1ccc([C@H]2CCN(C(=O)c3ccc(C)c(O)c3O)C2)cc1 369917406 DEYFXMNEQCIRJB-HNNXBMFYSA-N 311.381 3.344 10 10 DGCE CCOc1ccc(O)c(CN2CCC([C@@H]3CCOC3)CC2)c1 374924770 HGHCOXRWBAHNGL-OAHLLOKOSA-N 305.418 3.039 10 10 DGCE N[C@H](c1cccs1)c1cc(F)cc(Br)c1O 396477444 XZEKWPNPZASYTQ-JTQLQIEISA-N 302.168 3.403 10 10 DGCE CN(C[C@H]1C[C@@H]2C[C@@H]2C1)c1ccc(CO)c(Br)c1 697844240 KOCKHTXVSGQXAZ-LMKPVCQUSA-N 310.235 3.424 10 10 DGCE Cc1ccc([C@@H](C)N[C@H]2CCN(c3ccccc3)C2=O)c(O)c1C 756662222 YVWDJCGUIXDKAO-QAPCUYQASA-N 324.424 3.465 10 10 DGCE COc1ccc(CNC(=O)Cc2c(C)cccc2Cl)c(O)c1 794376920 MGYNFQWEJFZQLU-UHFFFAOYSA-N 319.788 3.222 10 10 DGCE O=C(NCc1cc(Br)ccc1O)[C@@H]1CC=CCC1 804739347 WSESGMNNLGPBRP-SNVBAGLBSA-N 310.191 3.127 10 10 DGCE CN(C)c1ccc(OCCOCCOc2ccccc2)cc1 810001585 INPJGHYWSGMFLK-UHFFFAOYSA-N 301.386 3.227 10 10 DGCE CC[C@H](N[C@H](CCOC)COC)c1cccc(Cl)c1O 810258001 XUZVCHHPLSZKOC-RISCZKNCSA-N 301.814 3.138 10 10 DGCE C[C@H](NC(=O)[C@@H]1CCc2cccc(O)c21)c1ccc(N(C)C)cc1 816180116 FURLEZLTLFRCCW-SUMWQHHRSA-N 324.424 3.365 10 10 DGCE OCc1ccc(CNCc2cc(Cl)c(F)cc2O)cc1F 816538802 HRSZLZIRSKKTFE-UHFFFAOYSA-N 313.731 3.106 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)[C@@H]1C[C@@H]2CCCC[C@@H]21 823180788 DMUULTKRPSIKAB-CWRNSKLLSA-N 310.397 3.383 10 10 DGCE Cc1cc(N(C)C)ccc1CN[C@@H](C1CC1)[C@@H]1CCCCO1 848921459 BJVZOHJUKUUZBF-OALUTQOASA-N 302.462 3.498 10 10 DGCE CCCC[C@H](COC)N[C@@H]1CCN(c2ccc(OC)cc2)C1 850488903 PDNQXYRPVIPUGU-HZPDHXFCSA-N 306.450 3.069 10 10 DGCE CCCCC[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc(N)cc1 850860299 ZYNVDAAGBNSLOX-MRXNPFEDSA-N 317.433 3.169 10 10 DGCE CCCCN(Cc1ccccc1O)C[C@@H](OC)[C@H]1CCOC1 852017971 IGAGRPNJRWPKLW-FUHWJXTLSA-N 307.434 3.046 10 10 DGCE COc1cc(CN2CC3(CCCC3)OC[C@H]2C)c(O)cc1C 853576621 CUIAWJUFWKDPQU-CQSZACIVSA-N 305.418 3.243 10 10 DGCE C[C@@H]1C[C@H](N[C@@H]2CCCn3nccc32)c2c(O)ccc(F)c21 866634499 ROYHNIAZFLXLCE-RTXFEEFZSA-N 301.365 3.401 10 10 DGCE CSCC1(CCNC(=O)N[C@@H](C)c2ccccc2O)CC1 868768653 VYDCYEQGLVPUOI-LBPRGKRZSA-N 308.447 3.286 10 10 DGCE C[C@@H]1C[C@H](NCc2ccc(N3CCC(O)CC3)cc2)CCS1 922838893 OXWADVUMCINHRV-GDBMZVCRSA-N 320.502 3.021 10 10 DGCE COc1ccc(CNC(=O)[C@H](C)c2ccc(Cl)cc2)c(O)c1 1155574208 GXVTXYJTNBFBCL-LLVKDONJSA-N 319.788 3.474 10 10 DGCE Cc1conc1CNC(=O)c1sccc1-n1c(C)ccc1C 1177843377 CHLBNHWBBWOSBG-UHFFFAOYSA-N 315.398 3.382 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2cccnc2c1 1447561494 JCZSLWWJWOAFSM-GFCCVEGCSA-N 322.364 3.007 10 10 DGCE CC[C@@H](CNC(=O)Cc1cc(C)n(-c2ccccc2)c1C)OC 1460656730 VOUPDAFJPCAERY-SFHVURJKSA-N 314.429 3.178 10 10 DGCE C/C(=C/C(=O)N(Cc1ccco1)c1ccccn1)c1cnccn1 1527292300 GLLBFEBWOYJRTM-KAMYIIQDSA-N 320.352 3.101 10 10 DGCE CC[C@@H](OC)C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C 1531612059 KVQPATTVSYAXNW-GOSISDBHSA-N 314.429 3.444 10 10 DGCE O=C(NCc1ccsc1)c1cc2cc(O)c(O)cc2s1 1541066037 SLSGFWHWTNVPFL-UHFFFAOYSA-N 305.380 3.304 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C[C@H]2CCC[C@H]21 1565461029 XSNINCFUWXJTHE-KBAYOESNSA-N 315.461 3.473 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1 1587396033 KJBSIUWWUPNYNX-UHFFFAOYSA-N 315.358 3.047 10 10 DGCE Cc1occc1CN(C)C(=O)c1cc2cc(O)c(O)cc2s1 1598346866 LSDLUXOYFJPLOP-UHFFFAOYSA-N 317.366 3.486 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)c2cnc3ccccc3c2)c1 1622779726 UDZMQVCZFDUNKN-LBPRGKRZSA-N 322.364 3.440 10 10 DGCE CO[C@@]1(C)C[C@H]1NC(=O)c1sccc1-n1c(C)ccc1C 1633603495 DMZGZDBOKCXOOT-CJNGLKHVSA-N 304.415 3.063 10 10 DGCE O=C(NCc1c(O)cccc1F)c1ccc2ccccc2c1O 1638864117 WACQFVQVFIRLJS-UHFFFAOYSA-N 311.312 3.320 10 10 DGCE CSCc1cc(C(=O)NCc2c(O)cccc2O)ccc1F 1639288941 CDEWKOVGNPLNMG-UHFFFAOYSA-N 321.373 3.030 10 10 DGCE COC[C@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(C)C 1681551018 BOOJHGHZEXKCBE-HOCLYGCPSA-N 321.465 3.031 10 10 DGCE COc1ccc(CN[C@H](C)[C@@H](C)NC(=O)C=C2CCC2)cc1C 1733970273 OZYBCNGKVFXARS-HUUCEWRRSA-N 316.445 3.097 10 10 DGCE OC[C@H]1[C@H]2CN(c3ccc(OCc4ccccc4)cc3)CC[C@H]21 1899864868 ISSYWGKHKKWQSZ-HSALFYBXSA-N 309.409 3.330 10 10 DGCE [N-]=[N+]=NCCN1CCCN(Cc2ccccc2)CC(F)(F)C1 1912156238 LNULHGBYVPJZJE-UHFFFAOYSA-N 309.364 3.140 10 10 DGCE C[C@@H](CN1CCC[C@@H](CN=[N+]=[N-])C1)C(=O)OCc1ccccc1 1912176175 VURMBCJEDHRFQG-HOCLYGCPSA-N 316.405 3.388 10 10 DGCE CN(CCCN=[N+]=[N-])S(=O)(=O)c1cc(Cl)ccc1Cl 1912186843 GSWAXJUXUYYYFG-UHFFFAOYSA-N 323.205 3.314 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2([C@H](N)c2ccccc2O)C1 1938380304 FVXDIAZFRPAOII-PNPHSEOMSA-N 318.417 3.039 10 10 DGCE Cc1ccc([C@H]2[C@H](N)CCCN2C(=O)OC(C)(C)C)c(O)c1 1952606703 CXEASDPHMQFMQS-HIFRSBDPSA-N 306.406 3.100 10 10 DGCE CC(C)(C)OC(=O)N1CC(=O)C[C@H]1CCCc1ccc(N)cc1 1952826426 XZZUZSYZHZGSGB-OAHLLOKOSA-N 318.417 3.170 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@H](O)CC(F)(F)F 1970812168 XVSAYPFDQOKETP-MRVPVSSYSA-N 318.122 3.102 10 10 DGCE CN(C)c1ccc([C@@H](O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 1977956881 BFWLTXCQLOJBGK-JKSUJKDBSA-N 320.433 3.186 10 10 DGCE CN(c1ccc(CO)c(Br)c1)C1CC(CF)C1 2006402740 BJQHLPNJBAUVHG-UHFFFAOYSA-N 302.187 3.126 10 10 DGCE O[C@@H]1CCCc2cc(N3CCN(Cc4ccccc4)CC3)ccc21 2012679947 JDMWNLPYDZGHIN-OAQYLSRUSA-N 322.452 3.379 10 10 DGCE NCc1ccc(N2CC(SC(F)F)C2)cc1Br 2019936103 LGDWEZWGOPSEPJ-UHFFFAOYSA-N 323.206 3.052 10 10 DGCE C[C@H](O)c1ccc(N2Cc3conc3C2)cc1Br 2042310351 LIVSRSAJBBUKHY-QMMMGPOBSA-N 309.163 3.011 10 10 DGCE C[C@H](N)c1ccc(N2C[C@H](F)C[C@@H](F)C2)c(Br)c1 2062397888 XYKBFMPIHOTFET-JMJZKYOTSA-N 319.193 3.355 10 10 DGCE CCOC(=O)c1cnn(Cc2cccc(C)c2O)c1C(F)F 2078999280 MVZDPPHVPKQTMP-UHFFFAOYSA-N 310.300 3.060 10 10 DGCE NC[C@@]1(C2CC2)CCN(Cc2cc(Cl)cc(Cl)c2O)C1 2149614441 DTTPZIMXTYUFTA-HNNXBMFYSA-N 315.244 3.260 10 10 DGCE CNCc1cc(F)c(N2CCC[C@@H]2P(C)(C)=O)c(F)c1 2164532911 OOKYRVHNDLKXSK-ZDUSSCGKSA-N 302.305 3.233 10 10 DGCE CNCc1cc(OC)ccc1N(C)CCOCc1ccccc1 2211285746 XCDHHKSGIZFLJT-UHFFFAOYSA-N 314.429 3.068 10 10 DGCE Cc1cc(N2CCS[C@@H](C(F)(F)F)C2)ccc1[C@H](C)N 2285125334 BRLLMZBMKFSIDN-GXFFZTMASA-N 304.381 3.499 10 10 DGCE CC1=NN(c2nc3ccccc3s2)C(=O)C1=CNCC(C)C 2296970520 NJSLCTJIRVXXSZ-UHFFFAOYSA-N 314.414 3.148 10 10 DGCE C[C@H]1CCCN(C2=NC(=O)C(=Cc3ccccc3O)S2)C1 2297364762 XGCXCIWVIAZGSB-NSHDSACASA-N 302.399 3.094 10 10 DGCE Cc1ccc(CN[C@@H](C)[C@H]2CCCO2)c(O)c1Br 2327620168 AHMFSQUIJNBMKK-CMPLNLGQSA-N 314.223 3.120 10 10 DGCE CC(C)c1ccccc1N=NN1CCN(c2ncccn2)CC1 2330209834 TUKSTVVCQHXKTO-UHFFFAOYSA-N 310.405 3.421 10 10 DGCE O=C(c1ccco1)N1CCN(N=Nc2ccc(Cl)cc2)CC1 2330235780 BKOCYDSDAKPZLO-UHFFFAOYSA-N 318.764 3.390 10 10 DGCE CSc1ncc(CN[C@@]2(C(=O)O)CCC[C@@H](C)CC2)s1 2374453399 AXVRRQCOLHPZOC-YGRLFVJLSA-N 314.476 3.378 10 10 DGCE Nc1ccc(CN2CCN(c3cccc(Cl)c3)CC2)cc1 20191905 HDAOXUHPOIHFKR-UHFFFAOYSA-N 301.821 3.244 10 10 DGCE CCCN[C@](C)(CCCCSc1nccs1)C(=O)O 45596402 HYYSSCNIPIGUSY-CYBMUJFWSA-N 302.465 3.248 10 10 DGCE CN(Cc1cscn1)c1c(F)cc(/C=C/C(=O)O)cc1F 62723315 JMCJAUXUNOKVNH-NSCUHMNNSA-N 310.325 3.156 10 10 DGCE Cc1nc2c(O)cccn2c1/N=N\c1ccc(O)c(C(=O)O)c1 71601661 RALFKLSIUWEERH-ZCXUNETKSA-N 312.285 3.168 10 10 DGCE CCOc1ccc(N2CC[C@@H](CNCc3ccco3)C2)cc1 76364877 DPRFIEKLFMDFSB-HNNXBMFYSA-N 300.402 3.294 10 10 DGCE c1ccc(CCNC[C@@H]2CCN(c3ccc4c(c3)OCO4)C2)cc1 76439858 SMOVQURYYFCAJI-KRWDZBQOSA-N 324.424 3.074 10 10 DGCE Oc1cccc([C@H]2CN(Cc3cc(Cl)ccc3O)CCO2)c1 93457766 YJIXIPNNHBXENB-QGZVFWFLSA-N 319.788 3.325 10 10 DGCE CC[C@H]1CN(Cc2cc(Cl)cc(OC)c2O)[C@@H](CC)CN1 169220780 JRALOWFVMQDXMR-KBPBESRZSA-N 312.841 3.017 10 10 DGCE CC[C@@H](NCC(=O)Nc1ccc(F)cc1)c1ccccc1O 183339564 UJKPPMPSGKGKHC-OAHLLOKOSA-N 302.349 3.211 10 10 DGCE COc1ccc(CN2CC[C@@]3(C2)OCc2ccccc23)c(O)c1 186446262 KGUTVEAVJHBODB-IBGZPJMESA-N 311.381 3.032 10 10 DGCE CCCNCc1ccc(N2CCN(C)[C@@H](CC)C2)c(Cl)c1 220640555 GISWSKKKDMAVNH-HNNXBMFYSA-N 309.885 3.370 10 10 DGCE COCCNCc1ccc(N(C)[C@H]2CCSC2)cc1Cl 234673634 WYENZZPLGODNKQ-AWEZNQCLSA-N 314.882 3.018 10 10 DGCE C[C@H]1CN(c2ccc([C@H](C)N)c(Br)c2)CCCO1 235506270 ONDMMRWAZUZRAR-QWRGUYRKSA-N 313.239 3.084 10 10 DGCE CN(Cc1ccccc1O)C(=O)/C=C\c1nc2ccccc2o1 255144904 CACVCARNDPXTCD-KHPPLWFESA-N 308.337 3.205 10 10 DGCE CC[C@@H](N[C@H]1CCCc2nn(C)cc21)c1ccc(F)cc1O 286375716 ALERGCVTZSYCRY-CABCVRRESA-N 303.381 3.383 10 10 DGCE CCN[C@H](C)c1ccc(N(C)Cc2cnns2)c(Cl)c1 400059257 HLMLMDDQIHEOGP-SNVBAGLBSA-N 310.854 3.498 10 10 DGCE O=C(O)/C=C/c1ccc(N2CC[C@@H]3C[C@@H]3C2)cc1Br 699271830 HGZZWFMHMFALAI-VNPHXJNISA-N 322.202 3.393 10 10 DGCE Nc1ncc(F)cc1OCc1ccsc1Br 723402511 ZURTVULNFUPGRV-UHFFFAOYSA-N 303.156 3.206 10 10 DGCE CSCCCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 736675039 XIENZDGALXJNTH-HNNXBMFYSA-N 323.458 3.043 10 10 DGCE COc1cccc(O)c1CNCc1cccc(OC(C)(C)C)n1 767417059 GIWNBZONZGKITB-UHFFFAOYSA-N 316.401 3.263 10 10 DGCE O=C(NCc1ccccc1O)c1coc(C2CCCCC2)n1 777274707 KXWJNCIBEXNTCG-UHFFFAOYSA-N 300.358 3.358 10 10 DGCE Cc1oc2ccccc2c1CCNC(=O)c1cccc(O)c1O 790939603 VLHMRIJWSYIEKT-UHFFFAOYSA-N 311.337 3.125 10 10 DGCE COc1ccc(CNC(=O)c2cc(C)c(F)cc2Cl)c(O)c1 794379276 KNMAJVSZGKKFEL-UHFFFAOYSA-N 323.751 3.432 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1C(F)(F)F)[C@H]1CCOC1 812780802 SWXFGGVUDOEXEQ-AWEZNQCLSA-N 316.367 3.382 10 10 DGCE C[C@H](N[C@H]1C[C@H](O)c2ccccc21)c1cc([N+](=O)[O-])ccc1O 850528183 JDORVKOQLNOXDV-QXKQMHMISA-N 314.341 3.129 10 10 DGCE CCC/C(C)=C/C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855228903 FVHAEMWPLWZTGF-ZQHYZAEZSA-N 302.418 3.137 10 10 DGCE CCOCc1cc(CN[C@H]2CCCn3nccc32)ccc1OC 865871784 LQVVWAJIRZXQAY-INIZCTEOSA-N 315.417 3.053 10 10 DGCE O=C(NC[C@@H]1C[C@H]1C1CC1)c1cc2cc(O)c(O)cc2s1 897934633 RDCDXLGNVXYRDJ-QWRGUYRKSA-N 303.383 3.088 10 10 DGCE C[C@@H](N[C@H](CO)CCc1ccccc1)c1c(O)cccc1F 903288123 KCSZSICFMCAQDJ-HIFRSBDPSA-N 303.377 3.176 10 10 DGCE C[C@@H](NCc1cc(C(F)(F)F)nn1C)c1c(O)cccc1F 926928391 ZKXLYAQESHJFCK-MRVPVSSYSA-N 317.286 3.134 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2C[C@@H]3CCCC[C@@H]32)c1 1333507458 MBSPFQXNDKCKAZ-LMRQPLJMSA-N 318.417 3.340 10 10 DGCE Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2)c2c1CCC2 1351265986 NXEJMZBHWHBJMS-UHFFFAOYSA-N 308.425 3.480 10 10 DGCE COC(=O)c1cc(OCc2c(F)cccc2F)ccc1N(C)C 1459243776 VLKOOBXMGNBKQL-UHFFFAOYSA-N 321.323 3.396 10 10 DGCE Cc1cc(NC(=O)c2ccc(N=NC(N)=O)cc2)cnc1Cl 1545189839 LUNGJNXOLVEBOH-UHFFFAOYSA-N 317.736 3.458 10 10 DGCE CCO[C@H]1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 1616370579 CNIYCPGGIKVYHF-SFHVURJKSA-N 312.413 3.345 10 10 DGCE Cc1csc(CNC(=O)c2cc3cc(O)c(O)cc3s2)n1 1625016552 KYXINOGMQIAUDI-UHFFFAOYSA-N 320.395 3.007 10 10 DGCE Cc1ccc2c(c1)[C@@H](NC(=O)Cc1ccc(O)c(O)c1)CCC2 1629092384 LDUIIULHDXHAAG-INIZCTEOSA-N 311.381 3.143 10 10 DGCE Cc1cc(CN2CC[C@H](C)[C@H](CO)C2)ccc1N1CCCCC1 1659535561 AMLRKDQUJCGBTR-LPHOPBHVSA-N 316.489 3.436 10 10 DGCE Cc1cccc(NC(=O)CNCc2ccc(N(C)C)cc2)c1C 1857855086 ORHXXYURYXSJSU-UHFFFAOYSA-N 311.429 3.098 10 10 DGCE CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1ccc(O)cc1O 1865654302 PHGZMVDOKBLHAL-CXUHLZMHSA-N 308.337 3.212 10 10 DGCE CC1=NN(Cc2ccc(F)cc2)C(=O)/C1=C/c1ccc(O)cc1 1865658366 GWOHRIXGTYDQJY-LICLKQGHSA-N 310.328 3.333 10 10 DGCE CN(Cc1ccccc1)C1CN(c2ccc(C=CC(=O)O)cc2)C1 1914190952 SQMGUZMXAVDIGW-UHFFFAOYSA-N 322.408 3.105 10 10 DGCE [N-]=[N+]=N[C@H](CO)c1ccc(Cl)c(I)c1 1951370195 XFKZGNLCQFYLNW-MRVPVSSYSA-N 323.521 3.288 10 10 DGCE CC(C)[C@H]1C[C@]1(NC(=O)OC(C)(C)C)c1ccc(N)cc1O 1952989130 MFBDWFLUJNOOHU-DYVFJYSZSA-N 306.406 3.370 10 10 DGCE CC[C@@H](CN(CC)c1ccc(N)cc1)NC(=O)OC(C)(C)C 1961906545 DGXNQIGUBDQDPP-AWEZNQCLSA-N 307.438 3.398 10 10 DGCE CC(C)(C)CN(CCN=[N+]=[N-])C1CN(C(=O)OC(C)(C)C)C1 1962303657 IJVDPFYKJXLUHM-UHFFFAOYSA-N 311.430 3.264 10 10 DGCE Oc1ccc(Br)cc1CNCc1cc(C2CC2)n[nH]1 1964595554 VQDCRMSCJKKLPB-UHFFFAOYSA-N 322.206 3.045 10 10 DGCE C[C@H](CCCCCO)NCc1cc(Br)ccc1O 1969749717 NQQZYTYAHJAKMD-LLVKDONJSA-N 316.239 3.186 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2CCN(CCCN=[N+]=[N-])CC[C@H]2C1 1982246971 BKRKTASYOYJYQO-OKILXGFUSA-N 323.441 3.266 10 10 DGCE Nc1ccc(Nc2cccc3c2CCN3C(=O)C(F)(F)F)cc1 1999139727 HGRHCGILLYSCSG-UHFFFAOYSA-N 321.302 3.464 10 10 DGCE C[C@@H]1CC(F)(F)CN1Cc1c(O)cccc1Br 2004639059 RFZBCGPEWBFDTI-MRVPVSSYSA-N 306.150 3.384 10 10 DGCE CCN[C@@H](c1ccc(Br)cn1)c1ccccc1O 2029561031 XGEGCMUTQPCUFS-CQSZACIVSA-N 307.191 3.249 10 10 DGCE C[C@@H](O)c1ccc(N2CC3CC(F)(C3)C2)cc1Br 2045344816 DCTPVEBOLNFDRO-NAUIOFCNSA-N 314.198 3.441 10 10 DGCE Oc1c(Br)cccc1CN[C@H]1[C@@H]2[C@H]1CCC2(F)F 2051228773 FJGDMCJLXFGDGQ-DVVUODLYSA-N 318.161 3.288 10 10 DGCE CC(=O)Nc1ccc(C=C2C(=O)N(c3ccccc3)N=C2C)cc1 2053493161 XJQYKMYXUPQIKC-UHFFFAOYSA-N 319.364 3.451 10 10 DGCE CN(C)Cc1cn(-c2ccc(O)c(O)c2)nc1C1CCCCC1 2069766299 XVXBMVWQOYSWCE-UHFFFAOYSA-N 315.417 3.393 10 10 DGCE COC(=O)c1cc(C2CCCC2)nn1Cc1cccc(C)c1O 2069870346 FQTAHFNRKUODLW-UHFFFAOYSA-N 314.385 3.390 10 10 DGCE C[C@@H](c1c(O)cccc1F)n1nc(C2CC2)cc1CN(C)C 2070155487 NAOFUXQRACUOGC-NSHDSACASA-N 303.381 3.276 10 10 DGCE Cc1nc(N[C@@H](C)c2ccccc2O)ncc1Br 2072486058 YDFYQDGDGMJBKN-QMMMGPOBSA-N 308.179 3.426 10 10 DGCE Cc1ccc([C@H](C(C)C)n2nc(C3CC3)c(C=O)c2N)c(O)c1 2078999278 MVXYCIVDLFWFAF-KRWDZBQOSA-N 313.401 3.415 10 10 DGCE COc1cccc(O)c1CNc1cncc(Br)c1C 2104442220 IROUNQKXDGAOKJ-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE CN1CC[C@@H]2[C@H]1CCCN2Cc1cc(Cl)cc(Cl)c1O 2183737209 ZEOJPIGIFDCUPN-ZIAGYGMSSA-N 315.244 3.368 10 10 DGCE COc1cc2c(cc1OC)N(C/C(C)=C/Br)CC2 2219380245 HOYLJUDTLQFYJZ-CSKARUKUSA-N 312.207 3.365 10 10 DGCE CCN(CC)c1ccc(C=C2SC(=S)NC2=O)cc1F 2297618429 DOYNDINDRCTJGQ-UHFFFAOYSA-N 310.419 3.161 10 10 DGCE Cc1ncc(CN(C)c2ccc([C@H](C)N)c(Br)c2)o1 2342828571 JIKORLRAACZDHA-VIFPVBQESA-N 324.222 3.402 10 10 DGCE CCOC(=O)c1cnc(SC[C@]2(C)CCCOC2)s1 2344940135 KQEANFYQAATURR-CYBMUJFWSA-N 301.433 3.229 10 10 DGCE COc1cc([C@H](O)c2ccc3c(c2)CCN3C)sc1Cl 2365838946 UWWWZZZPTIPGDS-CQSZACIVSA-N 309.818 3.484 10 10 DGCE COC[C@H](C)NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C 68968480 CLENURCLNBFHBY-ZDUSSCGKSA-N 300.402 3.167 10 10 DGCE CCc1nc(CN(c2ccc(OC)cc2)[C@H](C)C2CC2)no1 111236621 CYKYSNPLKAQFEW-GFCCVEGCSA-N 301.390 3.446 10 10 DGCE COc1ccc(O)c([C@H](C)NC[C@@H](O)c2ccc(F)cc2C)c1 305786124 XYXVISDKLVFZEY-KPZWWZAWSA-N 319.376 3.233 10 10 DGCE Cc1cc(O)c(CNc2cnn(-c3ncccc3C#N)c2)cc1C 185839167 SXOWVYRRNQFSKX-UHFFFAOYSA-N 319.368 3.074 10 10 DGCE Cc1cccc(CN[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)c1O 382474933 GWMLUJDNVPHRRB-CABCVRRESA-N 320.433 3.236 10 10 DGCE COc1ccc([C@H](C)NCc2cc(OC)ccc2O)c(F)c1 89726501 WNSSXIKQBDZDSN-NSHDSACASA-N 305.349 3.399 10 10 DGCE CC[C@H](C)[C@@H](O)[C@@H](N)c1ccc(OCc2ccccc2)cc1O 95823891 KPKTVZPTGHAEON-FASAQXTFSA-N 315.413 3.378 10 10 DGCE Cc1cc(Cl)cc(CN2CCOc3cc(O)ccc3C2)c1O 809704515 BGKZFARVMVISMF-UHFFFAOYSA-N 319.788 3.454 10 10 DGCE Cc1ccc([C@@H](C)N[C@@H]2COc3ccc(F)cc3C2)c(O)c1 808729423 JOCFFKFSUHESMU-DOMZBBRYSA-N 301.361 3.494 10 10 DGCE Cc1cc(F)c(O)c([C@@H](c2cccs2)N2CCOCC2)c1 575302279 JZBQDOCEFIGHNT-HNNXBMFYSA-N 307.390 3.323 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc(C2CC2)nc1 822808496 FJQVPQLJRMIPBR-UHFFFAOYSA-N 324.428 3.082 10 10 DGCE Cc1ccc2c(c1)N(OCc1ccc(N)cc1)C(=O)C(C)(C)O2 821297001 JXXLTBGUIZPKIJ-UHFFFAOYSA-N 312.369 3.213 10 10 DGCE Oc1cc(F)c(Cl)cc1CNC[C@]12OCCC[C@H]1C2(F)F 827250892 CBALEVYCQFULQI-OLZOCXBDSA-N 321.726 3.089 10 10 DGCE COc1cccc(O)c1CN1CC(F)(c2ccccc2F)C1 839144192 SLAVLAFZXOQIKG-UHFFFAOYSA-N 305.324 3.221 10 10 DGCE O=C(Nc1ccccc1)C1(N[C@@H]2CCc3cccc(O)c32)CC1 834773323 FENVDZORYFZNIG-OAHLLOKOSA-N 308.381 3.140 10 10 DGCE CCCCCC[C@H](C)NC(=O)COC(=O)c1cc(O)cs1 732353842 BFRKKYWBWRHYDF-NSHDSACASA-N 313.419 3.086 10 10 DGCE COC[C@@](C)(O)CCN[C@@H](C)c1ccc(Cl)c(Cl)c1O 834843377 IILOUFWJHGKXQX-XPTSAGLGSA-N 322.232 3.137 10 10 DGCE NC(=O)[C@@H]1CCC[C@@H](NCc2cc(-c3ccccc3)ccc2O)C1 738439838 OIKGEIWRGVGGSJ-SJLPKXTDSA-N 324.424 3.193 10 10 DGCE COc1ccc(N2CCC(NC[C@]3(C)CCCCO3)CC2)cc1 922817692 VSJYFWHJUMWONW-IBGZPJMESA-N 318.461 3.213 10 10 DGCE CC1(C)CN(C(=O)Nc2ccc(N)cc2)CC2(CCCC2)O1 841296245 RSFAODOWRQNSKX-UHFFFAOYSA-N 303.406 3.224 10 10 DGCE CC[C@@H](CNCc1cc(Cl)cc(Cl)c1O)CC(=O)O 756306653 CHXVJBUNNZLDRP-MRVPVSSYSA-N 306.189 3.290 10 10 DGCE CN(C)c1ccc(/C=C/CNC[C@]23OCCC[C@H]2C3(F)F)cc1 850380213 QKEBCNFNJJIHBN-VDLFBQIGSA-N 322.399 3.170 10 10 DGCE CC(C)(CNC(=O)/C=C/c1ccc(O)c(O)c1)CC(F)(F)F 856518897 CWPLVOUUVFRVGJ-GQCTYLIASA-N 317.307 3.206 10 10 DGCE Cc1cc(O)c(CNCc2c(C(F)(F)F)cnn2C)cc1C 858210611 BTZJSRDJNWMFOQ-UHFFFAOYSA-N 313.323 3.051 10 10 DGCE CN(Cc1ccccc1O)C(=O)NCC[C@H]1CCC2(CCC2)O1 927728171 KGOLXOPQNUXQRO-OAHLLOKOSA-N 318.417 3.025 10 10 DGCE O=C(O)[C@@H](CC1CCCC1)NCc1c(O)ccc(Cl)c1F 756388518 PDBVCSIELLXZNA-GFCCVEGCSA-N 315.772 3.308 10 10 DGCE C[C@H](NCC[C@@H](N(C)C)C(F)(F)F)c1ccc(N(C)C)cc1 926961386 ITAVJAUFTFYKAR-SWLSCSKDSA-N 317.399 3.286 10 10 DGCE COCc1sccc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 867502759 CNNYKEZAFBDMDD-LBPRGKRZSA-N 318.442 3.452 10 10 DGCE CC[C@H](NC[C@H]1CC2(CCOCC2)CO1)c1ccc(F)cc1O 866530999 DAGZRMPQADCXHA-ZBFHGGJFSA-N 323.408 3.158 10 10 DGCE C/C=C/COc1cccc(CC(=O)N2Cc3cccc(O)c3C2)c1 871205577 VLHHSGVSMBKYHQ-NSCUHMNNSA-N 323.392 3.432 10 10 DGCE COc1ccc2c(c1)c1c(n2CC(=O)NC2(C)CC2)CCCC1 1126215190 LMOHAKCBYLUMCZ-UHFFFAOYSA-N 312.413 3.197 10 10 DGCE Cc1cc(Br)c(O)c(CN2CCOC(C)(C)C2)c1 781902220 OIFATNWGBACTJX-UHFFFAOYSA-N 314.223 3.074 10 10 DGCE Cc1cc(Br)c(O)c(CN2CCSC[C@@H]2C)c1 781907897 HEXBMYAEHSWMPK-JTQLQIEISA-N 316.264 3.400 10 10 DGCE COc1ccc(Br)c(CNCC2CC=CC2)c1O 1964570932 YSEFYMWQMWVQRS-UHFFFAOYSA-N 312.207 3.219 10 10 DGCE C[C@H]1CN(CCCCN=[N+]=[N-])CCN(C(=O)OC(C)(C)C)C1 1962302872 CZGWVXKHRZYPLL-ZDUSSCGKSA-N 311.430 3.266 10 10 DGCE C[C@H]1C[C@@H](NCc2ccc(F)cc2O)CN1C(=O)OC(C)(C)C 1963142314 DWTACFYWUJODNX-SMDDNHRTSA-N 324.396 3.019 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)NC1(c2ccccc2Cl)CC1 1162921115 ZVQHMBAVFFXCGE-UHFFFAOYSA-N 317.772 3.099 10 10 DGCE CSc1nnc(SCCCOc2ccc(N)cc2)s1 135566827 YPYWCKVVFRBARQ-UHFFFAOYSA-N 313.473 3.403 10 10 DGCE CCN(Cc1ccccc1C)C(=O)c1c(F)ccc(O)c1O 1160537871 FTJHEIOWCCPZQO-UHFFFAOYSA-N 303.333 3.208 10 10 DGCE CCCCO[C@H](C)C(=O)NCc1c(O)ccc2ccccc12 1179030049 XWYMXBMSNLHYOO-CYBMUJFWSA-N 301.386 3.367 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)c1nccn1C(C)C 1199411741 DGFMBBHSJXVQRI-UHFFFAOYSA-N 314.433 3.192 10 10 DGCE COc1cc2c(cc1OC)N(Cc1ccccc1)CCC(=O)N2 692539457 WYLFEUVMMDSTRH-UHFFFAOYSA-N 312.369 3.053 10 10 DGCE Oc1ccc(CNCc2cccc(Cl)c2Cl)c(O)c1O 693682621 MCMXUWKRQIQFIA-UHFFFAOYSA-N 314.168 3.400 10 10 DGCE Cc1ccc([C@H](C)Nc2cnn(C)c2Br)c(O)c1 694154038 BXGUNKAETSLJBT-VIFPVBQESA-N 310.195 3.370 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2C(=O)C(C)(C)C(F)(F)F 1519165439 UFEANTHDSXRARK-UHFFFAOYSA-N 316.323 3.067 10 10 DGCE CCN(C)c1ccc(CNC2(CC(=O)OC)CCCCC2)cc1 1459715834 GARNFPRMJNRQSX-UHFFFAOYSA-N 318.461 3.498 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccn(C(C)C)c1C 1467841552 YKIXRDJEFBVZER-UHFFFAOYSA-N 321.417 3.499 10 10 DGCE Cc1nccn1CCCC(=O)NCc1c(O)ccc2ccccc12 1558554246 NJBYYLCSHAIHMG-UHFFFAOYSA-N 323.396 3.147 10 10 DGCE Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N(C)Cc1ccccc1O 1631151742 SVIMJAZQRPGQMX-UHFFFAOYSA-N 318.304 3.020 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)C[C@@H]2C[C@H]2C2CC2)cc1 1586649165 IXQWDONIPDCTBP-YJBOKZPZSA-N 316.445 3.026 10 10 DGCE C[C@@H](C(=O)NCc1cccc(O)c1O)c1ccc(Cl)cc1 1651175658 HVONHOPAXBLWGE-SNVBAGLBSA-N 305.761 3.171 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2Cc1ccc2cn[nH]c2c1 154907970 LNVHKKBZBVOSRT-UHFFFAOYSA-N 308.385 3.028 10 10 DGCE Cc1cncc(C(=O)NCc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)c1 1889919166 CCRAQWJOPRHCLC-LPHOPBHVSA-N 321.424 3.309 10 10 DGCE CO[C@@H]1CCN(Cc2cccc(Br)c2O)C1(C)C 1914329728 CFXQNYPDNYKCKD-GFCCVEGCSA-N 314.223 3.154 10 10 DGCE COc1ccc(N(Cc2ccccc2)[C@@H](C)CCO)c(N)c1 1915088746 ONKSQFLDMFCXHG-AWEZNQCLSA-N 300.402 3.055 10 10 DGCE CC[C@H](CNC(=O)OC(C)(C)C)N[C@H](C)c1ccccc1O 227724297 FHKOWOWTXCDSFK-CHWSQXEVSA-N 308.422 3.346 10 10 DGCE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H](N)c1ccccc1O 1928475350 WZMPWXJXCIYUKT-UKRRQHHQSA-N 306.406 3.182 10 10 DGCE CN[C@H](C[C@H](C)CNC(=O)OC(C)(C)C)c1ccccc1O 1928466748 FTTMHRUZCHPECJ-GXTWGEPZSA-N 308.422 3.204 10 10 DGCE CCN[C@H](c1ccccc1O)[C@@H](NC(=O)OC(C)(C)C)C1CC1 1936973138 FHUUMYLPBPDWIM-JKSUJKDBSA-N 320.433 3.346 10 10 DGCE Oc1c(Br)cccc1CNC[C@@H]1CC[C@H](F)C1 1945253481 HIVYCNOIPIQDRR-KOLCDFICSA-N 302.187 3.383 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CO[C@H](CCCc2ccc(N)cc2)C1 1952908338 CTDMVQASWLTTGH-JKSUJKDBSA-N 320.433 3.274 10 10 DGCE CC[C@@H]([C@@H](N)c1ccc(N(C)C)cc1)N(C)C(=O)OC(C)(C)C 1977946549 VYTLIYWBZPBRIT-HOTGVXAUSA-N 321.465 3.398 10 10 DGCE CC(C)(C)OC(=O)NC[C@H]1C[C@@]2(CCN2CCCCN=[N+]=[N-])C1 1985552345 VQPPMONPZCQQRR-SAZUREKKSA-N 323.441 3.456 10 10 DGCE C[C@@H]1N(Cc2c(O)cccc2Br)CCC1(F)F 2004631973 FEFZJOXLQBMFBN-QMMMGPOBSA-N 306.150 3.384 10 10 DGCE CC(C)(C)OC(=O)N1C[C@](N)(c2ccccc2O)[C@@H]1C(C)(C)C 1991352481 GOGPSZSSXLTYCJ-KSSFIOAISA-N 320.433 3.212 10 10 DGCE CN[C@H](C)c1ccc(N2CC[C@@H]2CF)c(Br)c1 2011855759 VLMQKSMEGFTNJJ-MWLCHTKSSA-N 301.203 3.278 10 10 DGCE C[C@H](N)c1ccc(N2C[C@H]3C[C@H]2[C@@H]2C[C@H]32)cc1Br 2041533877 UTWDGEGATVKERC-KLDWPMRUSA-N 307.235 3.313 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCO[C@@H](CCF)C1 700594846 PNZCVAOVAABGTE-NSHDSACASA-N 308.180 3.259 10 10 DGCE CCN(Cc1cccc(Br)c1O)[C@H]1CCCOC1 402753749 MJKQUOOBOJWYFL-LBPRGKRZSA-N 314.223 3.156 10 10 DGCE COCC1(N(C)c2ccc([C@H](C)N)c(Br)c2)CC1 707148156 UGXSPYGAZLFNNZ-JTQLQIEISA-N 313.239 3.084 10 10 DGCE CCN[C@H](C)c1ccc(N(C)Cc2cnns2)cc1Cl 400038962 YEWDOARWQFQQBE-SNVBAGLBSA-N 310.854 3.498 10 10 DGCE CCNCc1ccc(N2C[C@@H](OC)C[C@@H]2CF)c(Cl)c1 2190231913 HCXCWWFZKBUHBL-OLZOCXBDSA-N 300.805 3.013 10 10 DGCE COCC(COC)CN(C)Cc1cc(Cl)cc(Cl)c1O 2199393241 DRUNJGLMSPQARI-UHFFFAOYSA-N 322.232 3.040 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@H]1NC(=O)c1csc(Br)c1 2213585129 KTAUICRUTZSHOU-SFYZADRCSA-N 315.196 3.472 10 10 DGCE Cc1ccc(CNCc2cccc(O)c2O)cc1Br 2278722602 YVXYKEOAEVOISX-UHFFFAOYSA-N 322.202 3.459 10 10 DGCE O=C1C(=Cc2ccco2)SC(=S)N1c1ccc(O)cc1 2296879937 LRLZBXRIABESDY-UHFFFAOYSA-N 303.364 3.391 10 10 DGCE CN(C(=O)C=Cc1ccccc1[N+](=O)[O-])c1ccccc1F 2297430481 PWWXSESVAJDMIQ-UHFFFAOYSA-N 300.289 3.410 10 10 DGCE C[C@H](c1ccc(F)cc1)N(C)C(=O)C=Cc1ccc(O)c(O)c1 2307982063 LZMUWIGFKXUZPG-GFCCVEGCSA-N 315.344 3.470 10 10 DGCE CCC1=NN(CC(C)C)C(=O)C1=Cc1ccccc1C(=O)O 2332132391 DYQXVFPKXPNMJZ-UHFFFAOYSA-N 300.358 3.032 10 10 DGCE CCCN(Cc1cccc(Br)c1O)[C@@H]1CCOC1 311132316 JNQNSKSEKAQJKJ-GFCCVEGCSA-N 314.223 3.156 10 10 DGCE COc1ccc2c(c1)CCCN2CC(=O)Nc1cccc(C)c1 27578431 PVHQMDAITVYBNY-UHFFFAOYSA-N 310.397 3.395 10 10 DGCE Cc1cccc(S(=O)(=O)N(C)[C@@H](C)c2ccccc2O)c1 38089844 MJYPIVNKBQTHNU-ZDUSSCGKSA-N 305.399 3.082 10 10 DGCE Oc1ccc(CNc2cc3c(cc2Cl)OCCO3)c(O)c1 36922447 OZZOKMUWSCLRTG-UHFFFAOYSA-N 307.733 3.135 10 10 DGCE CN(C[C@@H]1COCC1(C)C)c1cc(Cl)c(CN)cc1F 2364432013 HEKCTCYTXAUKFL-LLVKDONJSA-N 300.805 3.047 10 10 DGCE CCN(Cc1ccc(N)cc1)[C@H]1CCO[C@@]2(CCSC2)C1 227179203 PGGSEMZIWJBSRA-IRXDYDNUSA-N 306.475 3.145 10 10 DGCE CCNCc1ccc(OC)c(CSc2nccc(C)n2)c1 81876930 FIFBDAQVIMNZQU-UHFFFAOYSA-N 303.431 3.195 10 10 DGCE C[C@@H]1CCN(Cc2cc(Cl)c(F)cc2O)C[C@H]1n1ccnc1 294434603 XNEGPKNLIXEQKY-IAQYHMDHSA-N 323.799 3.464 10 10 DGCE CCN(CC)c1ccc(CN2CCC[C@@H](C)[C@H]2C(=O)O)cc1 818631643 MBZGLEMQJZAWCP-PBHICJAKSA-N 304.434 3.218 10 10 DGCE Cc1cc(CN2CCC[C@@H]([C@@H]3CCOC3)C2)ccc1N(C)C 815074236 MVFNTLLAMBDPJY-QZTJIDSGSA-N 302.462 3.310 10 10 DGCE CCOc1ccc(CN[C@@H]2CCCc3nc(O)ccc32)c(O)c1 725849744 WIXPVWSNZLYIEM-OAHLLOKOSA-N 314.385 3.059 10 10 DGCE Cc1ncccc1/C=C/C(=O)N(C)Cc1ccc(N(C)C)cc1 822265631 UKLHCHVAWQGFJR-FMIVXFBMSA-N 309.413 3.128 10 10 DGCE COc1cccc([C@@H]2C[C@H]2C(=O)N[C@@H](C)c2ccccc2O)c1 827960145 KFQVXMLKPATZCW-AFAVFJNCSA-N 311.381 3.382 10 10 DGCE C[C@H](Cc1ccco1)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 832437283 YPKIBGPDXZRLBI-ZIAGYGMSSA-N 300.402 3.402 10 10 DGCE Cc1cc(O)c(CN2CC[C@H](N3CCCC3)[C@H]2C)c(Cl)c1 840945996 FELNHNXLAMFXCT-CJNGLKHVSA-N 308.853 3.413 10 10 DGCE COCCN(Cc1ccccn1)Cc1c(O)cc(C)cc1Cl 840946557 RFFIFLLODGITSV-UHFFFAOYSA-N 320.820 3.398 10 10 DGCE C[C@@H](NC[C@@H]1CNCCC1(F)F)c1ccc2ccccc2c1O 925787021 YRKGHOPMSWGIAE-OCCSQVGLSA-N 320.383 3.441 10 10 DGCE C[C@H](N[C@H]1CCOC[C@@H]1C)c1ccc(Br)cc1O 762647196 FGVDWTUHLHIFKN-KWBADKCTSA-N 314.223 3.230 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)c1ccncc1 865027111 HFNHHWQLSZHRPY-OAHLLOKOSA-N 311.429 3.300 10 10 DGCE Cc1cccc(-n2c(C)cc(C(=O)NCc3ccn(C)n3)c2C)c1 765913610 DQGSCBZIWNGRAZ-UHFFFAOYSA-N 322.412 3.066 10 10 DGCE Cc1cc(NC(=O)Nc2ccc(N)cc2)cnc1Br 1876147977 BLFCOIIDNROPCK-UHFFFAOYSA-N 321.178 3.379 10 10 DGCE CC(C)[C@@H]1CCCC[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 779514208 ZNIALPRYGZPPTJ-VFDMCBIDSA-N 303.402 3.442 10 10 DGCE CC[C@H](N[C@@H](C)[C@H]1CCCN(C(=O)OC)C1)c1ccccc1O 775579979 RQHHXCHVSCQGFJ-DZKIICNBSA-N 320.433 3.300 10 10 DGCE CCN1C(=O)/C(=C\c2ccnn2-c2ccccc2)SC1=S 790597525 DKLHVNQQUJWHDO-JLHYYAGUSA-N 315.423 3.093 10 10 DGCE C[C@@]1(c2ccccc2)C[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 1137066878 GQJRRUQRIFCIFI-QAPCUYQASA-N 322.368 3.309 10 10 DGCE O=[N+]([O-])c1cc(Cl)cc(CNCC2(C(F)(F)F)CC2)c1O 796490103 NZUFBGRLCMBHKK-UHFFFAOYSA-N 324.686 3.386 10 10 DGCE CCN(CC)c1ccc([C@H](O)CNC(=O)OC(C)(C)C)cc1 1959560266 GRUHOMQTRPGXGZ-OAHLLOKOSA-N 308.422 3.091 10 10 DGCE COC(=O)/C=C(\C)CSc1ncc(-c2ccccc2)n1C 1165276394 YXBGHZAVBOIJEI-FMIVXFBMSA-N 302.399 3.299 10 10 DGCE CO[C@H]1CCC[C@H](NCc2cc(Br)ccc2O)C1 746753666 GNMLPFGBCRXGOH-STQMWFEESA-N 314.223 3.202 10 10 DGCE CC(C)N(C[C@H](C)O)c1ccc([C@H](C)O)c(Br)c1 691520459 IYYDUNUYWKIBEP-QWRGUYRKSA-N 316.239 3.098 10 10 DGCE COC(=O)c1cnc(SCc2ccc(Cl)nc2)s1 1189408061 VABUICLYBXAYBJ-UHFFFAOYSA-N 300.792 3.270 10 10 DGCE C[C@H](NC(=O)C[C@H]1Cc2ccccc2O1)c1ccc(N(C)C)cc1 1435954429 XNEMHYQWDOHKBS-KBXCAEBGSA-N 324.424 3.324 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)[C@@H]1Cc2ccccc2O1 1456309464 IUBFEQOFBDDVJS-IBGZPJMESA-N 319.360 3.165 10 10 DGCE COc1cccc(CC(=O)N(C)Cc2ccccc2O)c1Cl 1465843062 OYZBWNJHDWPHKZ-UHFFFAOYSA-N 319.788 3.255 10 10 DGCE O=C(NCc1ccccc1O)N[C@H]1CCCc2ccccc2C1 1479465168 CRWFHZDRVAERLE-KRWDZBQOSA-N 310.397 3.139 10 10 DGCE C/C(=C/C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)c1cccs1 1624954859 LVYHKODHZJVTDA-NXIHDVOMSA-N 317.410 3.310 10 10 DGCE C[C@H](Cc1ccccc1Cl)C(=O)NCc1cc(O)ccc1O 1558175391 OWBHKRFZYIUZRC-LLVKDONJSA-N 319.788 3.246 10 10 DGCE CO[C@@H](C(=O)N[C@@H](C)c1ccccc1O)c1ccc(F)cc1 1642830894 KWRQJZCZHSIDLP-MEDUHNTESA-N 303.333 3.096 10 10 DGCE Cc1oc2c(CCN=[N+]=[N-])c3oc(=O)cc(C)c3cc2c1CN 1848439781 AEMVPABAFPJQAV-UHFFFAOYSA-N 312.329 3.468 10 10 DGCE CCCOc1c(/C=C2/C(=O)N(C)N=C2CCC)cccc1OC 1865668514 BNMOEWVQIMBRTJ-WYMLVPIESA-N 316.401 3.496 10 10 DGCE Oc1ccsc1-c1nnc(N2CCCCC2)n1CC1CC1 1263681217 HBAMPLJOEWUBBN-UHFFFAOYSA-N 304.419 3.113 10 10 DGCE CCN(CC)c1ccc(CNCC(=O)OCCC(C)C)cc1 1857871972 QFBVFFKZWNWSJB-UHFFFAOYSA-N 306.450 3.212 10 10 DGCE CN[C@@H](CC1(N(C)C(=O)OC(C)(C)C)CC1)c1ccccc1O 1925291334 WIZLCJRSQJVQQJ-AWEZNQCLSA-N 320.433 3.442 10 10 DGCE C[C@@H]([C@H](N)c1ccccc1O)N(C(=O)OC(C)(C)C)C1CC1 1928476401 JDFMYLPVOMYWAY-NHYWBVRUSA-N 306.406 3.180 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@]1(C)[C@@H](N)c1ccccc1O 1928471398 UWYLSKIXMBGZSB-YOEHRIQHSA-N 306.406 3.182 10 10 DGCE Nc1ccc(CC(=O)Nc2c(F)cccc2Br)cc1 232114105 ICNBUWANHCZJSV-UHFFFAOYSA-N 323.165 3.352 10 10 DGCE C[C@]12C[C@](CNCc3cc(Cl)cc(Cl)c3O)(CO1)C2 2138004001 JFCAVCRONMQXQS-OKILXGFUSA-N 302.201 3.358 10 10 DGCE CCN(Cc1ccc(N)cc1)C(=O)c1ccoc1Br 233480247 PINVHOLZXZMLFI-UHFFFAOYSA-N 323.190 3.287 10 10 DGCE C[C@@]1(F)CCN(Cc2cc(Br)cc(F)c2O)C1 1946919310 JLIXZBCHIUACDO-GFCCVEGCSA-N 306.150 3.228 10 10 DGCE Cc1scnc1CNCc1c(O)cccc1Br 1947326077 DDADTILSBCGSDJ-UHFFFAOYSA-N 313.220 3.209 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@@H](F)[C@H](C)C2)cc1Br 1947313773 VZVZLQFJLJIRST-JRKPZEMJSA-N 302.187 3.297 10 10 DGCE CNCc1cc(F)c(N(C)C[C@@H]2CC[C@H](C)S2)c(F)c1 2151682302 HYMUCCCUTAYJOJ-JQWIXIFHSA-N 300.418 3.405 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CN(c2ccc(N)cc2)C2(CCC2)C1 1977935995 WQDGOJFJBBOLKE-CQSZACIVSA-N 317.433 3.295 10 10 DGCE Nc1ccc(O)c(CNC(=O)c2cc(Cl)cc(Cl)c2)c1 36737550 HSKLQCMOPJQPHR-UHFFFAOYSA-N 311.168 3.211 10 10 DGCE CS(=O)(=O)c1cccc(NCc2cc(Cl)ccc2O)c1 37763154 HVDLBSUUFCOBOR-UHFFFAOYSA-N 311.790 3.061 10 10 DGCE Cc1cccc(O)c1CNC1[C@H]2C[C@H]1CN(Cc1ccccc1)C2 1997963407 QXMWJRUUJGBCAQ-ROUUACIJSA-N 322.452 3.311 10 10 DGCE COC(C)(C)CN(C)c1ccc([C@@H](C)N)c(Br)c1 404290667 ZGTBOIJDRIQOMQ-SNVBAGLBSA-N 315.255 3.330 10 10 DGCE CCOC(=O)[C@@]1(NC(C)C)CC[C@@H](Sc2nccs2)C1 93851776 BGYUQFCBFGWCGD-BXUZGUMPSA-N 314.476 3.088 10 10 DGCE [N-]=[N+]=NCCCNC(=O)c1cc([N+](=O)[O-])cc(Cl)c1Cl 706104377 YHKSDTRQSCWGGQ-UHFFFAOYSA-N 318.120 3.332 10 10 DGCE CCN(Cc1c(O)cccc1Br)[C@@H](C)COC 707165502 FJLFBGDTWAAAOJ-JTQLQIEISA-N 302.212 3.012 10 10 DGCE CCN(C[C@H](C)OC)c1ccc([C@@H](C)N)c(Br)c1 383208794 IZHRWIREQGKTMR-WDEREUQCSA-N 315.255 3.330 10 10 DGCE Oc1ccc(F)cc1Cn1nc(C2CC2)cc1Br 2070025874 MNPUGFWEQXGNEQ-UHFFFAOYSA-N 311.154 3.416 10 10 DGCE CC(C)(C)OC(=O)N1CCOc2cc(C(F)F)cc(O)c2C1 2080482267 NKWZCOXUYHHXKN-UHFFFAOYSA-N 315.316 3.459 10 10 DGCE C[C@@H](CC(=O)N1CCCC[C@H](CN=[N+]=[N-])C1)P(C)(C)=O 2196546006 QEALDUNHZGSLSF-NWDGAFQWSA-N 300.343 3.327 10 10 DGCE CN(C[C@@H]1C[C@@H]2C[C@@H]2C1)c1ccc(CN)c(Br)c1 2045615025 WRCBCGLWKGKMJA-UOJUARBOSA-N 309.251 3.390 10 10 DGCE COc1ccc(Br)c(CNCC2[C@@H](C)[C@@H]2C)c1O 2220462392 KWIRYLXDNDIOGR-IUCAKERBSA-N 314.223 3.155 10 10 DGCE [N-]=[N+]=NCCCN1CCN(c2cccc(Br)c2)CC1 2227668135 LMSVXYREQLOCCU-UHFFFAOYSA-N 324.226 3.272 10 10 DGCE Cc1cc([C@@H](C)N)ccc1N1CCS[C@@H](C(F)(F)F)C1 2240754956 BIVKSQMVEJCVDN-ZWNOBZJWSA-N 304.381 3.499 10 10 DGCE CSc1ncc(CN[C@H]2CCO[C@H](C(F)(F)F)C2)s1 2269272970 RSFHNVAWLAHYOD-CBAPKCEASA-N 312.382 3.065 10 10 DGCE CC[C@H]1CN[C@@](C)(C2CC2)CN1Cc1cnc(SC)s1 2284675614 BTNZDHYBGOZDJO-SWLSCSKDSA-N 311.520 3.218 10 10 DGCE Cc1ccccc1C=C1C(=N)N2N=C(C(C)C)SC2=NC1=O 2296740625 GEYIBBROMSFRDP-UHFFFAOYSA-N 312.398 3.270 10 10 DGCE CN(C[C@H]1C[C@@H](F)C1)c1ccc(CO)c(Br)c1 2307371880 GPVCBDQCJFTSPR-JGZJWPJOSA-N 302.187 3.126 10 10 DGCE COc1ccc(N2N=C(C)C(=Cc3cccc(O)c3)C2=O)cc1 2332094825 LQARZWYFKCFMOT-UHFFFAOYSA-N 308.337 3.207 10 10 DGCE CSCCCn1c(-c2ccccc2)cnc1SCC(=O)O 69444302 GKJROXFOTPQBAN-UHFFFAOYSA-N 322.455 3.480 10 10 DGCE COc1ccc(N2CC[C@H](C[C@@H](C)NCC(F)(F)F)C2)cc1 107937940 BIXYCBZJNJBGIH-CHWSQXEVSA-N 316.367 3.452 10 10 DGCE CC(C)NCc1c(Sc2nccs2)nc2ccccn12 111569785 KTDBJFMDDJUDEK-UHFFFAOYSA-N 304.444 3.440 10 10 DGCE CCOc1ccc(O)c(CN2CCC(N(CC)CC)CC2)c1 121725840 BTQYJTKFWDMMTI-UHFFFAOYSA-N 306.450 3.097 10 10 DGCE Cc1cc(C(=O)NC[C@H](C)CO)c(C)n1-c1cccc(Cl)c1 160507935 LCDRQFIEFBAHTJ-NSHDSACASA-N 320.820 3.106 10 10 DGCE CC(C)NCc1ccc(N(C)Cc2nccn2C)c(Cl)c1 164061446 WNBNONPPDFJFQR-UHFFFAOYSA-N 306.841 3.208 10 10 DGCE CN(C[C@H]1CCCOC1)c1ccc(CNC2CC2)cc1Cl 164084132 UHCDOMPVOUHKME-CQSZACIVSA-N 308.853 3.455 10 10 DGCE COc1cc(N(C)Cc2scnc2C)cc(OC)c1OC 180756798 ATLQEJXRUWQTMS-UHFFFAOYSA-N 308.403 3.114 10 10 DGCE CCCN(Cc1cnc2ccc(C#N)cn12)c1ccc(CN)cc1 194980026 QBDRBBSNHKWRBV-UHFFFAOYSA-N 319.412 3.081 10 10 DGCE COc1cccc(/C(C)=C\C(=O)N(C)Cc2ccccc2O)c1 255080859 JYXZRKPHCDEWTR-KAMYIIQDSA-N 311.381 3.463 10 10 DGCE Cc1cc(N(C)C)ccc1CNc1cc(CO)ccc1[N+](=O)[O-] 302078968 ZKAIGUQSXNGCCO-UHFFFAOYSA-N 315.373 3.074 10 10 DGCE Oc1ccc(F)cc1CNC1CCN(Cc2ccccc2)CC1 309665713 PGPMAVQVFTUQTL-UHFFFAOYSA-N 314.404 3.286 10 10 DGCE C[C@H]1[C@@H](C)OCCN1c1ccc([C@@H](C)N)c(Br)c1 380487196 ADLGHSYRYLDCPS-OUAUKWLOSA-N 313.239 3.082 10 10 DGCE COCC(C)(C)N(C)c1ccc([C@H](C)N)c(Br)c1 381268879 RBFZJKUAWHAVMZ-JTQLQIEISA-N 315.255 3.330 10 10 DGCE CCc1csc(SCCC(=O)Nc2ccc(N)cc2)n1 382939636 IGIACUJUCCUKEZ-UHFFFAOYSA-N 307.444 3.409 10 10 DGCE Cc1ccc([C@@H](C)NC[C@@H](n2cccn2)C(F)(F)F)c(O)c1 527928691 COLVLUOYBNQLDW-BXUZGUMPSA-N 313.323 3.351 10 10 DGCE C[C@@H]1CC[C@H](N(C)Cc2ccc(Br)cc2O)CO1 691684385 VGHRXZCKEUVTEJ-MFKMUULPSA-N 314.223 3.154 10 10 DGCE CSC[C@H]1CCN(c2ccc(CO)c(Br)c2)C1 706736818 PJXVMTWIYMJMHN-JTQLQIEISA-N 316.264 3.131 10 10 DGCE Cc1ccc(CNCc2c(O)cccc2Br)cn1 706863782 MPLVGDPPADJAER-UHFFFAOYSA-N 307.191 3.148 10 10 DGCE CCC[C@@H](COC)NCc1c(O)cccc1Br 706871505 AYQMSNSEPOYKJF-JTQLQIEISA-N 302.212 3.059 10 10 DGCE C[C@H](O)c1ccc(N2C[C@H]3[C@H](C2)C3(F)F)cc1Br 715519775 COBWCZFMOIYXTD-SWPVVBRQSA-N 318.161 3.204 10 10 DGCE CC[C@H](CCOC)OC(=O)c1cc(C)n(-c2ccccn2)c1C 754585840 SOGKTQZQIIXFKU-OAHLLOKOSA-N 316.401 3.461 10 10 DGCE COC(=O)c1ccc(O)c([C@H](C)N[C@@H](C)c2nc(C)cs2)c1 756533761 IBQFUOSITGUTAB-QWRGUYRKSA-N 320.414 3.356 10 10 DGCE COC(=O)/C=C\c1ccc(N2[C@@H](C)CC[C@H]2C)c([N+](=O)[O-])c1 757798364 WJJNAPTWTXRZHX-BYHUGJBISA-N 304.346 3.158 10 10 DGCE CCOc1cccnc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 773012087 FVFJQESTZCXUHR-CYBMUJFWSA-N 313.401 3.037 10 10 DGCE CC(C)[C@@H](CC(F)(F)F)NC(=O)NCc1ccccc1O 782954446 URIBTNHJXVDBJX-LLVKDONJSA-N 304.312 3.168 10 10 DGCE FC(F)Oc1ccc(N2CCC[C@H](NCC3(F)CC3)C2)cc1 792999461 DFDBPCZGZKXVMN-LBPRGKRZSA-N 314.351 3.349 10 10 DGCE C[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)C1CCCC1 825182798 AGHUKHHGUDUEJV-MRXNPFEDSA-N 301.478 3.107 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)NCC1(C2CCC2)CCC1 837216936 DENALUQSZHPPAU-VURMDHGXSA-N 301.386 3.198 10 10 DGCE Oc1ccccc1CNc1nc(C2CC2)ncc1Br 853244211 HJOGICCWPQHGNZ-UHFFFAOYSA-N 320.190 3.434 10 10 DGCE CN(C)[C@@H]1CCc2ccccc2N(C(=O)/C=C\c2cccnc2)C1 857932786 WBBMNSSQPZWQTI-ZVBPTUHVSA-N 321.424 3.004 10 10 DGCE Cc1ccc(O[C@H]2CCN(Cc3ccc(N(C)C)cc3)C2)nc1 858010998 ITMNRIVOMLXJAG-SFHVURJKSA-N 311.429 3.109 10 10 DGCE C[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)c1ccncc1 864861485 BMEBKQNTJDODQO-OAHLLOKOSA-N 309.413 3.102 10 10 DGCE COc1cccc([C@H](C)N[C@H](C2CCC2)[C@@H]2CCCO2)c1O 866491245 OKYUQPXXNCFMNY-YLQAJVPDSA-N 305.418 3.399 10 10 DGCE CON(C)C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C 1234326679 LKWDWDCYWKKOQS-UHFFFAOYSA-N 301.390 3.105 10 10 DGCE CCO[C@H](CCNC(=O)c1ccc(N=NC(N)=O)cc1)C(C)C 1294375956 ILORPHSGRJQISP-CQSZACIVSA-N 320.393 3.030 10 10 DGCE c1cc2c(cc1CNC1CCN(C3CCCC3)CC1)CCO2 1308299862 GMBPXGMQTZSPIP-UHFFFAOYSA-N 300.446 3.118 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CC[C@H]2C)cc1 1326882384 LBYKLOYMJQUXCD-RHSMWYFYSA-N 303.450 3.473 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)CC[C@H]1CCOC1 1353912441 ZPLHNJMVQFLFEJ-KRWDZBQOSA-N 316.445 3.062 10 10 DGCE Cc1cc(C)cc(-c2cc(NC(=O)c3cccc(O)c3O)n[nH]2)c1 1452321258 PXUJPXGNNVTHPE-UHFFFAOYSA-N 323.352 3.357 10 10 DGCE O=C(CSc1ccccc1Cl)NCc1cccc(O)c1O 1455315436 FRDUZTYTFWDSMR-UHFFFAOYSA-N 323.801 3.160 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)C1(C)CC1 1519811609 GPKNLJXBUYKXIZ-CQSZACIVSA-N 303.450 3.473 10 10 DGCE Cc1ccccc1C1(NC(=O)/C=C/c2ccc(O)c(O)c2)CC1 1557157443 IWXJEXDKFGALMU-VQHVLOKHSA-N 309.365 3.225 10 10 DGCE Cc1cc(C(=O)N2CCn3ccnc32)c(C)n1-c1ccc(F)cc1 1635022833 WHTINQURWWECSH-UHFFFAOYSA-N 324.359 3.090 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccc(Cl)[nH]1 1638244431 WEGIJCOZEPHRCS-GFCCVEGCSA-N 319.836 3.404 10 10 DGCE Cc1cc(C(=O)Nc2cc(F)ccn2)c(C)n1-c1ccccn1 1641728285 FHTQAFMTGFFNNM-UHFFFAOYSA-N 310.332 3.276 10 10 DGCE O=C(c1cccc([N+](=O)[O-])c1Cl)N1Cc2cccc(O)c2C1 1650675182 TUCUNDMDSODYNV-UHFFFAOYSA-N 318.716 3.110 10 10 DGCE O=C(CCNc1ccccc1)NCc1cccc(Cl)c1O 1653563867 QLATYMIVHVUNQX-UHFFFAOYSA-N 304.777 3.164 10 10 DGCE C[C@H](N[C@@H]1CCCC2(OCCO2)C1(C)C)c1ccccc1O 1877584478 FGJFTTBHKQZZMU-XJKSGUPXSA-N 305.418 3.365 10 10 DGCE CC[C@H](Nc1nccc(O)n1)c1cc(Br)ccc1O 1877598426 ALSHOYAOFXKUAS-JTQLQIEISA-N 324.178 3.214 10 10 DGCE CN(CCCN=[N+]=[N-])C(=O)c1sccc1Br 1912173388 MBGNJNFLOSSSQT-UHFFFAOYSA-N 303.185 3.283 10 10 DGCE CNCc1ccc(N2CC[C@@H]2C(F)(F)F)cc1Br 1916187638 WYSRSFGKFVDFDH-LLVKDONJSA-N 323.156 3.310 10 10 DGCE CN[C@H](c1ccccc1O)[C@@]1(CNC(=O)OC(C)(C)C)C[C@H]1C 1940040492 BVKCWPYNSULKMF-CDHAZOANSA-N 320.433 3.204 10 10 DGCE C[C@@H](CCCNCc1ccccc1O)NC(=O)OC(C)(C)C 1958770378 FQBNRLYFTIKZNZ-ZDUSSCGKSA-N 308.422 3.175 10 10 DGCE CN(C(=O)OC(C)(C)C)C1C[C@@H]2CC[C@H](C1)N2CCN=[N+]=[N-] 1962303710 IVOQGFCJOBXOSK-FUNVUKJBSA-N 309.414 3.159 10 10 DGCE C[C@@H]1C[C@@H](CNCc2ccccc2O)CN1C(=O)OC(C)(C)C 1967774537 DPJSNRTUONDDOP-KGLIPLIRSA-N 320.433 3.127 10 10 DGCE COc1cc(Cl)cc(CN[C@H]2C[C@H](CSC)C2)c1O 1974443357 DNGSTQYRNCPTPB-OTCDBFHCSA-N 301.839 3.285 10 10 DGCE FC(F)COc1ccc(N(Cc2ccccc2)C2CNC2)cc1 1990325769 JFOKYEFKGJXHSZ-UHFFFAOYSA-N 318.367 3.309 10 10 DGCE CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CN(c1ccc(N)cc1)C2 1993502346 JDNNFLCOXBUDCE-ACJLOTCBSA-N 317.433 3.010 10 10 DGCE CN1CCCc2cc([C@]3(O)CCN(Cc4ccccc4)C3)ccc21 1999520924 GDCGNXGDKJZVQB-NRFANRHFSA-N 322.452 3.163 10 10 DGCE C[C@H](O)c1ccc(N2C[C@@H]3CCN(Cc4ccccc4)[C@H]3C2)cc1 2015069531 UTKMLISZMYCNEH-LRQRDZAKSA-N 322.452 3.451 10 10 DGCE CN(CP(C)(C)=O)c1ccc(CN)c(Br)c1F 2021440767 MBJFCZLFQWCUTB-UHFFFAOYSA-N 323.146 3.063 10 10 DGCE COc1cccc([C@H](N)c2ccccc2O)c1Br 2037210192 SSWAFPOCQCBQLV-CQSZACIVSA-N 308.175 3.211 10 10 DGCE CCN(CC)c1ccc(C=C2C(=O)NC(=O)c3ccccc32)cc1 2040842176 SPYZOALNZHAFMO-UHFFFAOYSA-N 320.392 3.343 10 10 DGCE CN[C@@H](C)c1ccc(N2CCC(=CBr)C2)cc1O 2052273179 QFRZWAGIHBVGAW-JTQLQIEISA-N 311.223 3.162 10 10 DGCE CO[C@H]1CC[C@H](CNCc2cccc(Br)c2O)C1 2054478821 OGPXZDSFBMNKTB-JQWIXIFHSA-N 314.223 3.059 10 10 DGCE CC[C@H](COC(F)F)NCc1ccc(Br)cc1O 2067259005 CZEDGMANPGBQCF-SNVBAGLBSA-N 324.165 3.262 10 10 DGCE COc1ccc([C@@H](C)n2nc(C)cc2Br)c(O)c1 2070157634 XGLYYMSNBNIEMM-SECBINFHSA-N 311.179 3.278 10 10 DGCE CCc1nn([C@H](CC)c2ccc(OC)cc2O)c(Cl)c1CO 2079976876 DRKQQMZLHVPOIZ-CQSZACIVSA-N 324.808 3.305 10 10 DGCE Cc1cnn(C)c1[C@H](C)NCc1c(O)cccc1Br 2094113562 LHORBCOWESHHKC-JTQLQIEISA-N 324.222 3.047 10 10 DGCE Cc1ncnc(CNCc2cc(Cl)cc(Cl)c2O)c1C 2206630428 WXSWUKUIRUWQNJ-UHFFFAOYSA-N 312.200 3.396 10 10 DGCE OCc1ccc(N2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2)cc1Br 2228690400 QHIQOGFSSPKZCC-JLUCKKNBSA-N 320.230 3.200 10 10 DGCE OCc1ccc(N2C[C@@H]3C[C@H](C(F)(F)F)[C@@H]3C2)c(Cl)c1 2281133944 SDLKVHKHGFCRRL-AXFHLTTASA-N 305.727 3.467 10 10 DGCE C[C@@H]1c2ccccc2CCN1C(=O)C=Cc1ccc(O)c(O)c1 2308001271 RMEUDRBCPKCYCK-CYBMUJFWSA-N 309.365 3.257 10 10 DGCE COC[C@@H](NCc1ccc(C)c(Br)c1O)C(C)C 2327799162 RAKXRKPMHOVROQ-GFCCVEGCSA-N 316.239 3.224 10 10 DGCE Cc1cc(NCc2ccc(C)c(Br)c2O)c(C)nn1 2352635941 BTPBTKHPURTEEH-UHFFFAOYSA-N 322.206 3.482 10 10 DGCE Cc1ccc(CN2C(=O)C3CCC2CC3)c(O)c1Br 2352662019 HMIXPIROPTXJKU-UHFFFAOYSA-N 324.218 3.364 10 10 DGCE CC(C)N[C@](CSc1nccs1)(CC1CCC1)C(=O)O 2366459182 VLSBELJAIQFWDJ-AWEZNQCLSA-N 314.476 3.247 10 10 DGCE O=C(O)C=Cc1ccc(N2CCSC2)cc1C(F)(F)F 2369259632 KCDKMUSEHKJWEJ-UHFFFAOYSA-N 303.305 3.314 10 10 DGCE Cc1ccc2nc(C(=O)O)c(/N=N\c3ccccc3C(=O)O)n2c1 71590195 IBXYCZZSBMGRET-HNENSFHCSA-N 324.296 3.455 10 10 DGCE c1cc2c(cc1N1CC[C@H](CNC3CCCCC3)C1)OCO2 76439854 ZTMWZKWQVFFJML-CQSZACIVSA-N 302.418 3.164 10 10 DGCE Nc1ccc(Cn2ccnc2Cc2ccc([N+](=O)[O-])cc2)cc1 82734251 FHGWNYZSMUTATM-UHFFFAOYSA-N 308.341 3.013 10 10 DGCE Oc1ccc2ccccc2c1CN1CCC[C@@H](Cn2cncn2)C1 128553627 GUQWDSONZKDDOX-OAHLLOKOSA-N 322.412 3.049 10 10 DGCE CCN(Cc1cc(Br)ccc1O)C1CCOCC1 132965994 ALVIYLXEAZZORQ-UHFFFAOYSA-N 314.223 3.156 10 10 DGCE C[C@@H](N[C@H]1CCN(CC2CCCC2)C1)c1cc(F)ccc1O 185595420 PEYHWRRXXUPDKU-CJNGLKHVSA-N 306.425 3.446 10 10 DGCE CC1(C)CN(Cc2cc3c(cc2O)OCO3)CC2(CCCC2)O1 190463988 SVXDYRKEBLMWSJ-UHFFFAOYSA-N 319.401 3.045 10 10 DGCE C[C@H](NC(=O)OC(C)(C)C)c1ccc(N2CCN(C)CC2)cc1 217395199 JKAUMFPLCIAGFG-AWEZNQCLSA-N 319.449 3.024 10 10 DGCE COc1sc2ccc(I)cc2c1O 306628229 CMBMBUYCQQEBAB-UHFFFAOYSA-N 306.124 3.220 10 10 DGCE C[C@@H](NC1CCC(C(N)=O)CC1)c1ccc2ccccc2c1O 319659700 BRJZDADRIJCRED-LRVUVFPRSA-N 312.413 3.240 10 10 DGCE Cc1cc(C)c([C@@H](C)NC[C@@H]2c3ccccc3C(=O)N2C)c(O)c1 528003517 PLVUGWJDXCACJQ-RHSMWYFYSA-N 324.424 3.487 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCC[C@@H]2COC[C@H]21 690783882 YPICMJUKXPVRDT-NOZJJQNGSA-N 302.201 3.310 10 10 DGCE Oc1cc(Br)ccc1CN1CCC[C@@H](CF)C1 711500160 WLNWTSXGDCEXKV-JTQLQIEISA-N 302.187 3.336 10 10 DGCE COc1cccc2c1N(C(=O)/C=C/c1ccc(C)nc1)CCC2 779471105 ALLRBTXMRJCWIC-ZHACJKMWSA-N 308.381 3.391 10 10 DGCE CC[C@H](NC[C@@H]1COc2ccccc2O1)c1ccc(F)cc1O 796665699 KONHLIJPNJECLI-HIFRSBDPSA-N 317.360 3.412 10 10 DGCE C[C@H](NC[C@H](CO)c1cccnc1)c1ccc2ccccc2c1O 806179460 ROAMVXLVCJPJGW-WMLDXEAASA-N 322.408 3.367 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@@H]2c3ccccc3C[C@@H]2O)cc1 835038906 ZKEATWMGWUGNCX-DXPXIUTNSA-N 308.425 3.014 10 10 DGCE Oc1ccc(Br)cc1CN1CC2(CC(F)C2)C1 839139133 CMPPLDUBVJMACZ-UHFFFAOYSA-N 300.171 3.089 10 10 DGCE COc1ccc(CNC(=O)[C@H]2CCCC[C@@H]2C2CC2)c(O)c1 843874431 KKEDGRZGHNPHIC-CVEARBPZSA-N 303.402 3.233 10 10 DGCE CCc1nccn1[C@H](C)CC(=O)NCc1cc(Cl)ccc1O 846475663 DYMGSVSWLXKKJC-LLVKDONJSA-N 321.808 3.072 10 10 DGCE COC(=O)c1ccc(O)c([C@H](C)N[C@@H](C)c2ccns2)c1 858577052 OIRPFNXGDPJSKS-UWVGGRQHSA-N 306.387 3.047 10 10 DGCE C[C@@H](N[C@H]1CCN(C2CCC2)C1=O)c1ccc2ccccc2c1O 858602985 ONUMZUWYTAJVIW-ACJLOTCBSA-N 324.424 3.349 10 10 DGCE CC[C@@H](NCc1nc(CN(C)C)cs1)c1ccc(F)cc1O 903221372 WAGBJOFBUVSSAC-CQSZACIVSA-N 323.437 3.290 10 10 DGCE CCN(C)c1ccc([C@@H](C)NC[C@@]2(OC(C)C)CCOC2)cc1 903359588 DPPBWRYBRSVLKJ-APWZRJJASA-N 320.477 3.377 10 10 DGCE Cc1cccc(-n2c(C)cc(C(=O)N[C@H]3COC[C@@H]3C)c2C)c1 1156327075 VDUZNLPGZNLUEN-UGSOOPFHSA-N 312.413 3.167 10 10 DGCE CN(C)c1ccc([C@@H](CNC(=O)/C=C\C(C)(C)C)N(C)C)cc1 1158718424 XRRZHGJDXWOLKH-MUSGIIIZSA-N 317.477 3.074 10 10 DGCE CN(Cc1cnc(C(F)(F)F)s1)Cc1ccccc1O 1237951593 HWSQMKWRUJAONH-UHFFFAOYSA-N 302.321 3.500 10 10 DGCE COc1ccc(CNc2nc(C3CC3)nc3[nH]ccc23)c(O)c1 1351783389 LSVUADQJEWSVAX-UHFFFAOYSA-N 310.357 3.162 10 10 DGCE CC(C)(C)Oc1cccc(C(=O)NCc2cccc(O)c2O)c1 1521851942 QUUMMFKSYHEKGB-UHFFFAOYSA-N 315.369 3.205 10 10 DGCE C/C(=C/c1cccnc1)C(=O)N1CCCc2ccc([N+](=O)[O-])cc21 1537380808 JOCOWTXKQIXZRT-RAXLEYEMSA-N 323.352 3.373 10 10 DGCE O=C(NCc1cccc(O)c1O)c1ccc(C(F)(F)F)cc1 1558159967 PPAQTZAVCCBPCP-UHFFFAOYSA-N 311.259 3.047 10 10 DGCE Cc1cc(CN(C)[C@@H]2CCC[C@H]2O)ccc1N1CCCCC1 1560150206 QLLQQYSIZNSTEL-RTBURBONSA-N 302.462 3.331 10 10 DGCE CC(C)(C)[C@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1586086522 OYEFLQQMRBNDQC-AWEZNQCLSA-N 305.418 3.315 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)C(C)(C)C2CCC2)cc1 1632049019 IVZBILVRRAGVON-UHFFFAOYSA-N 318.461 3.416 10 10 DGCE Cc1ncsc1/C=C\C(=O)NCc1cc(Cl)ccc1O 1639968216 CHPJWBPKHIZTJW-PLNGDYQASA-N 308.790 3.140 10 10 DGCE Cc1cccc([C@@H](NC(=O)Cc2ccc(O)c(O)c2)C(C)C)c1 1648514041 JBZIBNRSDHQONI-IBGZPJMESA-N 313.397 3.462 10 10 DGCE OC[C@H]1CC[C@@](F)(CNCc2ccc(Cl)cc2O)CC1 1875990399 GFXBLTKDZWGFAS-FUKZOUPISA-N 301.789 3.026 10 10 DGCE Nc1snnc1-c1nc(-c2ccc(Cl)c(Cl)c2)no1 1923200932 LDYQDCLKPUMFLY-UHFFFAOYSA-N 314.157 3.144 10 10 DGCE Cc1cccc([C@@H](O)[C@@H](N)c2ccccc2O)c1Br 1927233033 URJAPUZUDMCKDI-LSDHHAIUSA-N 322.202 3.197 10 10 DGCE CC(C)(C)OC(=O)N[C@H](CC1CC1)[C@H](N)c1ccccc1O 1928471612 WBRGDAYEDMLWJJ-UKRRQHHQSA-N 306.406 3.085 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@@H](C)[C@@H](F)C2)cc1Br 1947330461 CPQXPWVFSGTQPO-KKFJDGPESA-N 301.203 3.263 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H](Nc1c(N)cccc1F)C1CC1 1959373856 OFIFSNIFXWDXAS-CYBMUJFWSA-N 309.385 3.123 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2C(Nc3c(N)cccc3Cl)[C@H]2C1 1959377479 OSBRHDCMPFIYEP-UWVGGRQHSA-N 323.824 3.199 10 10 DGCE COc1cc2c(cc1OC)N(CCOCc1ccccc1)CC2 1970282283 SQRYYUFPBAXRQF-UHFFFAOYSA-N 313.397 3.283 10 10 DGCE CC1(CNCc2ccc(N)cc2)CC(NC(=O)OC(C)(C)C)C1 1976430934 IAUSUCJHODZNGC-UHFFFAOYSA-N 319.449 3.052 10 10 DGCE CN[C@H](CCN(C)C(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1977944999 LGEXOZFCZJLNGC-MRXNPFEDSA-N 321.465 3.270 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCN(Cc2cnsc2Br)C1 1982799426 MWIPUWWUHGQQHM-ZETCQYMHSA-N 302.201 3.038 10 10 DGCE C[C@H](O)c1ccc(N2CC=C[C@@H]2CF)c(Br)c1 2024024062 UDUAPKAZPRSYJN-GXSJLCMTSA-N 300.171 3.217 10 10 DGCE C[C@@H]1C[C@@]1(F)CN(C)c1ccc(CN)cc1Br 2025729802 JQVJIPHRGAEUJG-NOZJJQNGSA-N 301.203 3.092 10 10 DGCE Oc1cc(Br)ccc1CN[C@H]1C[C@H]2C[C@H]1C[C@H]2F 2039898608 YRLZGSXDSFOKKR-DNIRFERGSA-N 314.198 3.381 10 10 DGCE Nc1ccc(OC[C@@H](O)c2ccccc2Br)cc1 2050529742 HAOXGCRRLMGHAT-CQSZACIVSA-N 308.175 3.144 10 10 DGCE COc1ccc(CNCc2snc(Cl)c2Cl)c(O)c1 2110923923 CQMOQSRXQICBBM-UHFFFAOYSA-N 319.213 3.454 10 10 DGCE CCN[C@H](C)c1ccc(N2C[C@H](F)[C@@H](OC)C2)cc1Cl 2146468670 BKQAYRFHMKJCHV-ONERCXAPSA-N 300.805 3.184 10 10 DGCE Nc1cc(C(=O)NCc2ccccc2O)cc(Cl)c1Cl 2191656641 UWRDMPKODLHORA-UHFFFAOYSA-N 311.168 3.211 10 10 DGCE C[C@H](CC(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1)P(C)(C)=O 2196546005 QEALDUNHZGSLSF-NEPJUHHUSA-N 300.343 3.327 10 10 DGCE Cc1cccc(CNC(=O)CSCc2cccs2)c1O 2204627258 XGHROXLVKMRNJZ-UHFFFAOYSA-N 307.440 3.312 10 10 DGCE CC1=NN(c2ccc(F)cc2)C(=O)C1=CNc1ccc(O)cc1 2293039696 HQZYBFGGOJSYIE-UHFFFAOYSA-N 311.316 3.250 10 10 DGCE CC[C@H](Cc1ccccc1)NC(=O)C=Cc1ccc(O)c(O)c1 2308000912 YYYISXAENWROLV-MRXNPFEDSA-N 311.381 3.249 10 10 DGCE O=C(O)Cc1nc2ccccn2c1N=Nc1cccc(C(=O)O)c1 2320767898 QOWXKUVJZCSPQC-UHFFFAOYSA-N 324.296 3.075 10 10 DGCE Cc1ccc(CN2CC3(C2)CC3(F)F)c(O)c1Br 2327796327 FPWGMENVROSFRG-UHFFFAOYSA-N 318.161 3.304 10 10 DGCE Cc1ccc(CN2CCC(=O)CC23CC3)c(O)c1Br 2352574350 MFEROECPBICBSO-UHFFFAOYSA-N 324.218 3.161 10 10 DGCE Cc1c(O)cccc1C(=O)NCc1ccc(N2CCCC2)cc1 179497015 XYYJBAMUKCNTEZ-UHFFFAOYSA-N 310.397 3.231 10 10 DGCE CN[C@@H]1C(=O)Nc2cc(N(C)Cc3ccc(Cl)s3)ccc21 104989876 WLMDQIVQUWOVOA-AWEZNQCLSA-N 321.833 3.251 10 10 DGCE O=C1CSC(=S)N1c1ccc(Br)cc1Cl 113837002 CRGZXKZMJNWQPA-UHFFFAOYSA-N 322.636 3.467 10 10 DGCE CC[C@H](C)N(CCO)c1ccc([C@@H](C)N)c(Br)c1 310767848 LVRKVBLOJQTWRI-WDEREUQCSA-N 315.255 3.066 10 10 DGCE Cc1cccc(-n2c(C)cc(C(=O)N[C@H]3CCC[C@H]3O)c2C)c1 178586615 ZNYQPKHVJPEDMY-ZWKOTPCHSA-N 312.413 3.046 10 10 DGCE CNC(=O)c1ccc(C)c(N[C@H](C)c2ccc(F)cc2O)c1 170789343 CRPFKWIPISTJIL-LLVKDONJSA-N 302.349 3.372 10 10 DGCE COc1cccc(CNCc2ncc(-c3ccccc3)cn2)c1O 185865331 WDEQLZXOEMZQMC-UHFFFAOYSA-N 321.380 3.148 10 10 DGCE CCS(=O)(=O)c1ccccc1N[C@H](C)c1ccccc1O 37124570 LKLNROPJBSAPQY-GFCCVEGCSA-N 305.399 3.359 10 10 DGCE CC1=CC2=NC(=O)/C(=C\c3c(C)[nH]c4ccc(C)cc34)C(=N)N2O1 32969665 FVSDJTXCXJYFEL-PUOZGBORSA-N 320.352 3.235 10 10 DGCE Nc1ccc(CCNC(=O)c2cc3c(s2)CCSC3)cc1 123688207 UIALXWCPGYPJBW-UHFFFAOYSA-N 318.467 3.092 10 10 DGCE O=C(N[C@H](c1ccccc1)c1ccncc1)c1cccc(O)c1O 187024043 DMQAZNHFOPYAMC-QGZVFWFLSA-N 320.348 3.012 10 10 DGCE Oc1ccc2ccccc2c1CN1CCN(CC(F)(F)F)CC1 192592555 YXJGSWNNYGRNCP-UHFFFAOYSA-N 324.346 3.225 10 10 DGCE NCc1ccc(N2CC[C@@H](OCc3ccccc3)C2)c(F)c1 383897041 FPAGJCARLWVSBI-MRXNPFEDSA-N 300.377 3.080 10 10 DGCE CCCOc1ccc(CN2CCC[C@H]2C(=O)OC(C)C)c(O)c1 93536117 PJHXAHMERPOZMS-INIZCTEOSA-N 321.417 3.097 10 10 DGCE CN[C@H](C)c1ccc(N(C)CCCOC)cc1Br 234460812 UVCHSKYWQWERAK-LLVKDONJSA-N 315.255 3.202 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1 248732958 PBZSVVNTXDSMDX-XYZKALLWSA-N 303.402 3.009 10 10 DGCE Cc1cc(C(=O)N2CCC[C@@](C)(F)C2)c(C)n1-c1ccccn1 295214301 AWBYVYTZDWLLOR-GOSISDBHSA-N 315.392 3.453 10 10 DGCE CC[C@H](N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1cccc(Cl)c1O 806148756 YAQMGBGJDIKWKY-HKCMKHECSA-N 322.836 3.096 10 10 DGCE Nc1cccc(Br)c1N[C@H]1CCN2CCC[C@H]2C1 700037479 WPDKSNNRKFHLCM-QWRGUYRKSA-N 310.239 3.070 10 10 DGCE CC[C@@H](NC[C@@H](CO)c1cccnc1)c1cccc(Cl)c1O 806178947 MEMXDYBZDIQUKW-XJKSGUPXSA-N 320.820 3.257 10 10 DGCE COC(=O)Cc1cc(Br)cc2scc(O)c12 396273919 LIUUYVOFJPKRKD-UHFFFAOYSA-N 301.161 3.085 10 10 DGCE COc1c([N+](=O)[O-])ccc(CN2CCC(C)(C3CC3)CC2)c1O 811515305 XTWQCXJDDICZBS-UHFFFAOYSA-N 320.389 3.321 10 10 DGCE O=C(NCCCSc1nccs1)c1ccc(F)s1 827474648 HXACVUADFPJFKZ-UHFFFAOYSA-N 302.421 3.256 10 10 DGCE O=C(NCc1ccc(N2CCCC2)cc1)C1CC2(C1)CC2(F)F 821841472 CEOPOWOOLFITTH-UHFFFAOYSA-N 320.383 3.338 10 10 DGCE CCC[C@@]1(CO)CCN(C/C=C\c2ccc(N(C)C)cc2)C1 835051873 AWHUXQVCZUGKRA-SFFCAUCYSA-N 302.462 3.250 10 10 DGCE Cc1nc(CC(C)C)oc1-c1nc(Cc2ccc(N)cc2)no1 843160322 HRJGBKVKMCYPFA-UHFFFAOYSA-N 312.373 3.405 10 10 DGCE Fc1cccc(NNC(=S)Nc2ccc3c(c2)OCO3)c1F 743004470 KFQXZULGLMJISY-UHFFFAOYSA-N 323.324 3.007 10 10 DGCE COC[C@H](CC(C)(C)C)N[C@H](C)c1cc(C(=O)OC)ccc1O 848564234 KDQHBDXJNSMONL-OCCSQVGLSA-N 323.433 3.281 10 10 DGCE COc1cc(C)c(NC(=O)NCCc2ccc(N)cc2)cc1C 841218606 SRLSXBDYPHSUMQ-UHFFFAOYSA-N 313.401 3.258 10 10 DGCE CCC/C(C)=C\C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855228904 FVHAEMWPLWZTGF-ZSMUJPCHSA-N 302.418 3.137 10 10 DGCE COc1ccccc1[C@@H](O)CN[C@H](C)c1cc(F)cc(F)c1O 756459493 NWJIRRQZJCSGHS-BMIGLBTASA-N 323.339 3.063 10 10 DGCE COc1cccc(CN[C@H](C)[C@H]2Oc3ccccc3[C@@H]2C)c1O 752264442 DLZPWGNGITXKRC-QUJCMNEKSA-N 313.397 3.444 10 10 DGCE Cc1ccc(O)c([C@H](C)NCC[C@@H](N(C)C)C(F)(F)F)c1 926966241 ZILJZUKALZMCBV-SMDDNHRTSA-N 304.356 3.234 10 10 DGCE CCCC(C)(C)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 854300884 CLKJDLXNHVQIGZ-CQSZACIVSA-N 319.449 3.152 10 10 DGCE Oc1cc2c(cc1CN1CCCC[C@H]1CC1CCC1)[C@H](O)CO2 853607794 VXOSWQMKGYYXAY-MAUKXSAKSA-N 317.429 3.363 10 10 DGCE C[C@@H](Cc1ccco1)C(=O)N(C)Cc1ccc(N(C)C)cc1 854323500 AKNSLYWIHHUDKW-AWEZNQCLSA-N 300.402 3.183 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)c2cccc(Cl)c2N)c1 1137473417 IVQZOOMETQEORY-VIFPVBQESA-N 320.776 3.127 10 10 DGCE COc1cc(C)cc(CNC[C@@H]2CCO[C@H](C(C)C)C2)c1O 894898709 IJLLWLBLAZDWNE-ZBFHGGJFSA-N 307.434 3.250 10 10 DGCE CCC(CC)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 1134882649 SPAFQZLCWFRDMH-SFHVURJKSA-N 319.493 3.298 10 10 DGCE COc1ccc(CNC(=O)c2[nH]c3ccc(C)cc3c2C)c(O)c1 794373873 NUNFGALUSBRSFA-UHFFFAOYSA-N 324.380 3.429 10 10 DGCE CN(Cc1ccc2cc[nH]c2c1)C(=O)/C=C/c1ccc(O)c(O)c1 1152822746 CMHRFICCLAWATJ-QPJJXVBHSA-N 322.364 3.251 10 10 DGCE Cc1ccc(OCc2ccc(F)c(Br)c2)c(N)n1 50440898 PZJTUYUGVVDLKY-UHFFFAOYSA-N 311.154 3.453 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)cc1 1156206090 NETSDZUYDJMCCT-HUUCEWRRSA-N 308.341 3.135 10 10 DGCE CCn1cc(NCc2ccccc2O)c(C(=O)OC(C)(C)C)n1 1887609585 YEEGUVUUNCLAHS-UHFFFAOYSA-N 317.389 3.176 10 10 DGCE CSc1ccc(NC(=O)CN[C@H](C)c2ccccc2O)cc1 1175417730 AKXYKYZVMWAQJJ-GFCCVEGCSA-N 316.426 3.403 10 10 DGCE Cc1oc(Br)cc1C(=O)N1CCC[C@@H]1CN=[N+]=[N-] 692876078 FQKUIHFXWAAZME-MRVPVSSYSA-N 313.155 3.265 10 10 DGCE O=C(/C=C/c1cccnc1)N1CCCCc2cc([N+](=O)[O-])ccc21 1278875691 YZHMEROGWMEXRX-RMKNXTFCSA-N 323.352 3.373 10 10 DGCE C[C@@H](Cc1cccc(Cl)c1)C(=O)NCc1ccc(O)cc1O 1451770134 PCMQSEATQJSLHL-NSHDSACASA-N 319.788 3.246 10 10 DGCE Cc1cc(CN2CC[C@H](C)[C@@H](O)C2)ccc1N1CCCCC1 1616825188 XTHRXWPZDQKUFX-KXBFYZLASA-N 302.462 3.188 10 10 DGCE Cc1cc(F)c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(F)c1 1624954951 NUMRHMZJSIVPFY-JTQLQIEISA-N 321.323 3.045 10 10 DGCE Cc1cnc([C@H](O)c2ccc(N(C)C)cc2)c(Br)c1 1911245137 WMWJJQRQRCSCNG-OAHLLOKOSA-N 321.218 3.300 10 10 DGCE CN(C[C@@H]1CCC[C@H](C(F)(F)F)O1)c1ccc2c(c1)OCO2 1642299632 ARXSNTWEBRRQRO-SMDDNHRTSA-N 317.307 3.352 10 10 DGCE C[C@@H](NC(=O)[C@H](O)C1CCCCCCC1)c1ccccc1O 1642827898 VGAZMQFAMXWOIP-CXAGYDPISA-N 305.418 3.291 10 10 DGCE CCN[C@H](c1ccccc1O)[C@H]1CCN1C(=O)OC(C)(C)C 1912876112 CJNCVPFOXTXJIG-UKRRQHHQSA-N 306.406 3.052 10 10 DGCE CN1CCC(N(C)/N=N/c2ccc(N3CCCC3)cc2)CC1 1860485703 UWBBSYYBIQSENM-VHEBQXMUSA-N 301.438 3.312 10 10 DGCE CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](NC)c1ccccc1O 1928476611 LELXXNQLLXQIQR-WFASDCNBSA-N 308.422 3.204 10 10 DGCE CN[C@@H](CC(C)(C)NC(=O)OC(C)(C)C)c1ccccc1O 1928476782 MULVSWXLWNFGNJ-ZDUSSCGKSA-N 308.422 3.346 10 10 DGCE CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H]1[C@@H](N)c1ccccc1O 1936975282 QAEYZWJHMMHCAV-GJZGRUSLSA-N 320.433 3.428 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H](C[C@@H](N)c1ccccc1O)C1CC1 1936973566 HGKZUKBFMTVVFK-UKRRQHHQSA-N 320.433 3.333 10 10 DGCE COc1cccc(CNC[C@@H](C)COCc2ccccc2)c1O 237205314 YGZLFKVRAGEAQL-OAHLLOKOSA-N 315.413 3.343 10 10 DGCE Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)O)c(O)c1 1951858426 WLJHZHZQFKJVFO-ZDUSSCGKSA-N 323.389 3.377 10 10 DGCE CC(C)(C)OC(=O)Nc1cccc(O)c1[C@](C)(N)C(F)F 1953034632 MLLMPXRUSRVLBX-AWEZNQCLSA-N 302.321 3.178 10 10 DGCE C[C@H](NC[C@H]1C[C@H]1CNC(=O)OC(C)(C)C)c1ccccc1O 1973704403 UVYLRGHWLRILDQ-MJBXVCDLSA-N 320.433 3.204 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1Cc1ccc(N)cc1 1977928981 XQMMAJQJSUTBPS-CQSZACIVSA-N 319.449 3.100 10 10 DGCE N[C@H]1CCc2cc(N(Cc3ccccc3)[C@H]3CCOC3)ccc21 1986603314 UQZRXHWFQWJSBF-ICSRJNTNSA-N 308.425 3.428 10 10 DGCE C[C@H]1C[C@H](N(C)c2ccc(CO)c(Br)c2)CS1 2015481545 KSSBLHHGOZPJMC-CABZTGNLSA-N 316.264 3.272 10 10 DGCE COCCNCc1ccc(N2C[C@@H](F)C[C@H]2C)cc1Cl 2160294200 HDWNREHHCSWASY-YPMHNXCESA-N 300.805 3.013 10 10 DGCE C[C@@H](O)c1ccc(N(C)CC2(F)CC2)cc1Br 2025732743 PLHLZTGZULZCIS-SECBINFHSA-N 302.187 3.441 10 10 DGCE CCNCc1ccc(N2CC[C@@](C)(F)C2)cc1Br 2034889621 YMIIMSKXJRGKMA-CQSZACIVSA-N 315.230 3.497 10 10 DGCE C[C@@H]1C[C@@H](N(C)[C@H](C)c2cc(Br)ccc2O)CO1 401442106 WJRXUKZNEJBSKK-CKYFFXLPSA-N 314.223 3.325 10 10 DGCE C[C@H](CNCc1cc(Br)cc(F)c1O)C1CC1 715746559 REGKAQSIVMRGKD-MRVPVSSYSA-N 302.187 3.430 10 10 DGCE Cc1cccc(Cn2nc(C3CCCCC3)cc2CO)c1O 2070164698 GNFOQQYLDZJJEV-UHFFFAOYSA-N 300.402 3.485 10 10 DGCE CCN[C@@]1(C(=O)O)C[C@@H](Sc2nccs2)C[C@H](CC)C1 2175485677 AGVXHAKMKSSHPQ-COPLHBTASA-N 314.476 3.247 10 10 DGCE C[C@@H]1C[C@H](F)CN1Cc1cc(Br)cc(F)c1O 1235058175 YOLSUBWJCZAIFX-XCBNKYQSSA-N 306.150 3.226 10 10 DGCE CCc1nn([C@H](CC)c2ccc(OC)cc2O)c(Cl)c1CN 2079986187 NKDIOPTYCJKWJF-CQSZACIVSA-N 323.824 3.271 10 10 DGCE C[C@@H](O)c1ccc(N2CC3CC(F)(C3)C2)c(Br)c1 2045346116 PYUFMYUKTRLMAX-NAUIOFCNSA-N 314.198 3.441 10 10 DGCE CCCOC1(CNCc2cc(Br)ccc2O)CC1 2047791919 FXZMLENRZFFEOA-UHFFFAOYSA-N 314.223 3.204 10 10 DGCE C[C@@H](O)c1cc(F)c(N(C)C[C@@H](F)C(F)(F)F)c(F)c1 2194513457 AYADULPCTLWKIW-LHLIQPBNSA-N 301.230 3.355 10 10 DGCE CO[C@@H]1CC[C@H](CNCc2c(O)cccc2Br)C1 2054474901 NCPDHJIRJKKRSV-WDEREUQCSA-N 314.223 3.059 10 10 DGCE CNCc1ccc(OC[C@]2(Br)CC2(F)F)c(C)c1 2082482740 WSHPWPJOVGNZSP-GFCCVEGCSA-N 320.177 3.266 10 10 DGCE C[C@H]1CN([C@H](C)c2cc(Br)ccc2O)[C@@H](C)CO1 2218983883 MYKBRTHSMXXQGR-GARJFASQSA-N 314.223 3.325 10 10 DGCE CCc1nn(C)c(CNCc2cnc(SC)s2)c1Cl 2269096574 VRMMGMGAIRIXCB-UHFFFAOYSA-N 316.883 3.104 10 10 DGCE COc1ccc(Cl)cc1NC(=O)C=Cc1ccc(O)c(O)c1 2307978924 WNDIASBEOUCABP-UHFFFAOYSA-N 319.744 3.412 10 10 DGCE CC(C)OC(=O)c1cccc(N=NN2C[C@@H](C)O[C@H](C)C2)c1 2330233091 YRQCUYGHNYNEMB-CHWSQXEVSA-N 305.378 3.360 10 10 DGCE CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1ccccn1 109379222 UHTWHLMBLKVARE-GXDHUFHOSA-N 312.760 3.454 10 10 DGCE Nc1ccc(OCC(=O)N2CCC[C@H]2c2cccs2)cc1 38055750 GRSDLJWXVBPSHT-AWEZNQCLSA-N 302.399 3.073 10 10 DGCE Cc1nn(C)c(C)c1C[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 120552939 LENAHEOKSJCDNK-KBPBESRZSA-N 314.477 3.385 10 10 DGCE C[C@H](c1ccccc1O)N(C)C(=O)c1ccc(N)c(Cl)c1 78889137 SSSNXBGDYQPTQX-SNVBAGLBSA-N 304.777 3.461 10 10 DGCE COc1ccc(/C=C2/SC(=S)N(C(C)C)C2=O)c(OC)c1 33309072 XEEMLNSWNBNJMK-NTUHNPAUSA-N 323.439 3.313 10 10 DGCE C[C@@H](N)c1ccc(N2CCN(C3CCCC3)CC2)cc1Cl 78907890 KZXBXBQNRXZCLQ-CYBMUJFWSA-N 307.869 3.424 10 10 DGCE C[C@H](c1ccccc1O)N(C)C(=O)c1ccc(N)cc1Cl 40332841 OCNLKZIKKXWYCH-SNVBAGLBSA-N 304.777 3.461 10 10 DGCE COc1ccc(COc2cccnc2N)cc1Br 49595731 XNQOBDVVWNNBEK-UHFFFAOYSA-N 309.163 3.014 10 10 DGCE COc1ccc(N(Cc2cc(C)no2)Cc2cc(C)no2)cc1 47549721 VWQLHTMIYFGDKY-UHFFFAOYSA-N 313.357 3.495 10 10 DGCE CO[C@@H]1CCCC[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1 293419917 IRBWHQKHKYEOHN-QZTJIDSGSA-N 316.445 3.108 10 10 DGCE C[C@@H]1CN(c2ccc(/C=C\C(=O)O)c(Br)c2)[C@@H]1C 706828428 BVWPSZZSZPBVDW-IVRGCMMQSA-N 310.191 3.392 10 10 DGCE N[C@H](c1cccs1)c1c(F)ccc(Br)c1O 396458157 KVMUVYDKSMFYRC-SNVBAGLBSA-N 302.168 3.403 10 10 DGCE c1ccc(CN2CCc3cc(CN4CCO[C@@H]5C[C@@H]54)ccc32)cc1 814172208 CQDPRYGLZZTRJE-LEWJYISDSA-N 320.436 3.222 10 10 DGCE CCC(C)(C)C(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C 900293097 VCMMLZHJMIMSOG-UHFFFAOYSA-N 318.461 3.495 10 10 DGCE CCn1ccnc1CN[C@@H](C)c1cccc(C(F)(F)F)c1O 834880371 WGNKSCSXLVYNHW-JTQLQIEISA-N 313.323 3.478 10 10 DGCE CN(C)c1ccc(CNC(=O)c2[nH]ccc2C2CC2)cc1F 837379777 YKFAUUXNIUQLEU-UHFFFAOYSA-N 301.365 3.027 10 10 DGCE CN(C)c1ccc(/C=C/CN2CC(C)(C)[C@@H]3COC[C@@H]32)cc1 835054325 KCNXQAMVDBVMRD-VGRIIWOTSA-N 300.446 3.123 10 10 DGCE O=C(CC[C@H]1CCc2ccccc21)NCc1ccc(O)c(O)c1 901131359 JELJHYAWZOJKAD-OAHLLOKOSA-N 311.381 3.224 10 10 DGCE O=C(NCc1c(O)cccc1F)N[C@H]1CCCc2occc21 914151917 PSBUFYJKPSYCKP-ZDUSSCGKSA-N 304.321 3.001 10 10 DGCE COC(=O)[C@@H]1CC12CCN(Cc1c(O)cc(C)cc1Cl)CC2 840915546 QTGNSNQFPHJSKQ-ZDUSSCGKSA-N 323.820 3.129 10 10 DGCE COc1cc(Br)cc([C@H](C)NCC2CC2)c1O 848518746 NKWRACAAELORIH-QMMMGPOBSA-N 300.196 3.224 10 10 DGCE CC[C@@H](N[C@H]1C[C@@H](C(N)=O)C1)c1cc(Cl)cc(Cl)c1O 846193762 OGECOPJYRJZFKC-VFWDIBGWSA-N 317.216 3.004 10 10 DGCE CCOc1ccc(O)c(CN[C@@H](c2ccccc2F)[C@@H](C)O)c1 846015744 DFQKJSRLKAUZKL-KZULUSFZSA-N 319.376 3.142 10 10 DGCE Cc1ccc(O)c([C@H](C)NCc2c(C(F)(F)F)cnn2C)c1 858452792 OBCCAZNGXOHJCU-JTQLQIEISA-N 313.323 3.304 10 10 DGCE Cc1ccc([C@H](C)N[C@H]2C[C@@](CN)(c3ccccc3)C2)c(O)c1 925887100 RMGOEKCZDYAQLH-RIFZZMRRSA-N 310.441 3.410 10 10 DGCE C[C@H](Nc1cnn(-c2ccncc2)c1)c1cc(F)cc(F)c1O 756868468 UODGGHZFYZZVDN-JTQLQIEISA-N 316.311 3.424 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@]2(C)C[C@@H]3C[C@@H]3C2)c1 858890475 KDNYQFBZSSSZDU-ZIVKBKJYSA-N 318.417 3.197 10 10 DGCE Cc1cnc([C@@H](C)CNC(=O)N[C@@H](C)c2ccccc2O)s1 868498786 AEYVAGZEYIRIML-JQWIXIFHSA-N 319.430 3.321 10 10 DGCE Nc1ccc(CNC(=O)c2ccc(C3CCOCC3)cc2)cc1 868062474 RUDDOFKXPPFFFQ-UHFFFAOYSA-N 310.397 3.093 10 10 DGCE Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NC[C@@]1(OC(C)C)CCOC1 1119606942 UXOKISUAXULVOH-VCBZYWHSSA-N 319.445 3.423 10 10 DGCE Cc1c(C(=O)N2Cc3cccc(O)c3C2)cnn1CCC(C)C 871203927 VQJQQBIVLBKEHV-UHFFFAOYSA-N 313.401 3.099 10 10 DGCE CC(C)[C@@H](Cc1ccccc1)C(=O)NCc1cccc(O)c1O 1123889991 SUDFSLUDMQBODI-MRXNPFEDSA-N 313.397 3.229 10 10 DGCE C[C@@H]1CN(c2ccc([C@@H](C)N)cc2Br)C[C@@H](C)O1 61694007 POUXBMCNMNWGDM-GMTAPVOTSA-N 313.239 3.082 10 10 DGCE C[C@H]1C[C@@H](NCc2cc(F)ccc2O)CN1Cc1ccccc1 398031100 NLYUMYJYOPMWFR-KBXCAEBGSA-N 314.404 3.284 10 10 DGCE O=C(NCc1cc(O)ccc1O)[C@@H]1CCC[C@H](C(F)(F)F)C1 1455355570 CWOQOUCLMHAYPD-KOLCDFICSA-N 317.307 3.083 10 10 DGCE O=C(NCc1cc(O)ccc1O)c1ccsc1C(F)(F)F 1471662131 PGCJVSQRROMKQM-UHFFFAOYSA-N 317.288 3.108 10 10 DGCE Cc1cccc(OCCC(=O)NCc2c(O)cccc2F)c1C 1558455719 XJLWUYUJIWELJO-UHFFFAOYSA-N 317.360 3.233 10 10 DGCE Cc1ccc2n[nH]cc2c1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 1633315458 QEDLCFACWULHEO-ZDUSSCGKSA-N 322.412 3.428 10 10 DGCE CC(C)CNCc1ccc(N2CC[C@@H]([C@@H](C)O)C2)c(Cl)c1 167896708 SGKSHRLNWCYFED-UKRRQHHQSA-N 310.869 3.293 10 10 DGCE CCC1=NN(Cc2ccccc2)C(=O)/C1=C/c1ccc(O)c(O)c1 1865649840 HDTZQEVXCAVCQB-XNTDXEJSSA-N 322.364 3.290 10 10 DGCE Cc1ccc(C)c(NC(=O)CNCc2cc(Cl)ccc2O)c1 1857857472 AFERDDYSNBOOJT-UHFFFAOYSA-N 318.804 3.391 10 10 DGCE Cc1ccc(O)c(CNCC(=O)Nc2ccc(Cl)cc2C)c1 1857857348 CRDNHTOKSUEMKN-UHFFFAOYSA-N 318.804 3.391 10 10 DGCE CN[C@H](c1ccccc1O)[C@@]1(C)CCCN1C(=O)OC(C)(C)C 1936974481 OGDSKWCODBONFH-CRAIPNDOSA-N 320.433 3.442 10 10 DGCE COCc1nn(C)cc1NCc1cc(Cl)cc(Cl)c1O 1970105959 MVKTXFAPCBQLHL-UHFFFAOYSA-N 316.188 3.191 10 10 DGCE COc1cccc(O)c1CN[C@H]1CC[C@@H]1OCc1ccccc1 1976859594 XUDXTTUTYOGDTD-LPHOPBHVSA-N 313.397 3.238 10 10 DGCE CC(C)(C)OC(=O)N[C@]1([C@H](N)c2ccccc2O)CC[C@H]2C[C@H]21 1979066699 DHEKGBSHEVDJGN-HMECXNKFSA-N 318.417 3.085 10 10 DGCE C[C@H]1CC(F)(F)CN1c1ccc(CO)c(Br)c1 2004626790 DQTADMCEFDSUOA-QMMMGPOBSA-N 306.150 3.175 10 10 DGCE COc1ccc(CN[C@@H]2C[C@@H]2CNC(=O)OC(C)(C)C)cc1C 1984414539 HBEXTWCQCBCGGH-HUUCEWRRSA-N 320.433 3.006 10 10 DGCE CC[C@H](N[C@H]1CC[C@H]1NC(=O)OC(C)(C)C)c1ccccc1O 1986711757 GLFCCIHMUYRLDV-SOUVJXGZSA-N 320.433 3.489 10 10 DGCE C[C@H](F)[C@H]1CCCN1c1ccc(CN)cc1Br 2010590222 HLTSLPUPGGMOER-JOYOIKCWSA-N 301.203 3.235 10 10 DGCE Nc1ccc(CC(=O)N2CCC[C@H](OCc3ccccc3)C2)cc1 2013481366 RXSWLROFWCAYKA-IBGZPJMESA-N 324.424 3.019 10 10 DGCE C[C@@H]1[C@H](CN(C)c2ccc(CN)cc2Br)C1(F)F 2036077085 IVKUZCPYGSKSKT-SCZZXKLOSA-N 319.193 3.245 10 10 DGCE CC[C@H](c1cc(Br)ccc1O)N1CC[C@@](C)(N)C1 405861665 IVAGGZKQRWZOJZ-TZMCWYRMSA-N 313.239 3.029 10 10 DGCE CCCNCc1ccc(N(CCF)CCOC)cc1Cl 700405963 KMNRZDCBCZGUML-UHFFFAOYSA-N 302.821 3.262 10 10 DGCE C[C@@H](O)c1ccc(N(CCO)C(C)(C)C)cc1Br 691084628 MVFFHAVQLDTAMS-SNVBAGLBSA-N 316.239 3.100 10 10 DGCE CCC[C@H](COC)NCc1ccc(Br)cc1O 691431500 WHGZJWRYIKUIDI-GFCCVEGCSA-N 302.212 3.059 10 10 DGCE NCc1cc(-c2ccccc2)nn1Cc1cc(Cl)ccc1O 2070131736 PUFWGHHNNWHBPH-UHFFFAOYSA-N 313.788 3.416 10 10 DGCE C[C@H](O)c1cc(F)c(N(CC(F)F)CC(F)F)c(F)c1 2194506949 AHRXCVJTWXFEAL-LURJTMIESA-N 301.230 3.355 10 10 DGCE CCC[C@H](COC)N(C)Cc1ccc(Br)cc1O 2047297874 LYWFXXBXXJECEX-CYBMUJFWSA-N 316.239 3.402 10 10 DGCE CN(Cc1ccc(N)cc1)c1ccc(Br)cc1N 2071645140 YGGDTNDJZNSLOC-UHFFFAOYSA-N 306.207 3.250 10 10 DGCE COc1ccc2c(c1)CCN2C(=O)/C=C/c1cnc(C)s1 112241088 ONRXJSCCLXUXEA-GQCTYLIASA-N 300.383 3.063 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@@H]1NC(=O)NCCCOCc1ccccc1 2210533808 GJQATIYXHHLJDH-GJZGRUSLSA-N 317.393 3.124 10 10 DGCE NC[C@@]12CCC[C@@H](CN1Cc1cc(Cl)cc(Cl)c1O)C2 2200722360 ZVDWYQXSHCBDPK-BMIGLBTASA-N 315.244 3.402 10 10 DGCE CSc1ncc(CN2C[C@H](C3CC3)NC[C@H]2C(C)C)s1 2284678430 WGCVRECZNWGSOF-KGLIPLIRSA-N 311.520 3.073 10 10 DGCE CSc1ncc(CN=c2[nH]c(Cl)nc(Cl)c2C)s1 2257099327 FWVZMIHNNAWECE-UHFFFAOYSA-N 321.258 3.304 10 10 DGCE O=C1C(=Cc2cccnc2)SC(=S)N1c1cccc(O)c1 2296115556 DLAPNUGRRDCVDG-UHFFFAOYSA-N 314.391 3.193 10 10 DGCE CCN(C(=O)/C=C/c1cnn(-c2ccccc2)c1)c1cccnc1 68303954 IIEKVDOZQZIZIH-ZHACJKMWSA-N 318.380 3.334 10 10 DGCE O=C(O)[C@@]1(NC2CC2)CCC[C@H]1CCSc1nccs1 93629936 JJAFIHWTNUXHRH-IINYFYTJSA-N 312.460 3.001 10 10 DGCE CN(C)c1ccc(CNc2cccc(-c3nnc[nH]3)c2)cc1F 168747702 CWHYSJULIRBDOT-UHFFFAOYSA-N 311.364 3.289 10 10 DGCE CCOc1cccc(CN[C@@H](CC(C)C)C(=O)OC(C)C)c1O 172015674 AGTVPTPRRNOPQF-HNNXBMFYSA-N 323.433 3.247 10 10 DGCE CCOc1cccc(CN[C@H](C)c2ccncc2OC)c1O 189565083 DPOCCEGMCLRIDV-GFCCVEGCSA-N 302.374 3.045 10 10 DGCE CCc1ccc([C@@H](C)NC(=O)Nc2cc(O)c(O)c(O)c2)cc1 217278709 XLBXWDPUETWFAI-SNVBAGLBSA-N 316.357 3.249 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 246665797 DVJQSJGMQTUENF-WIOUJZMWSA-N 311.425 3.179 10 10 DGCE Cc1cncc(/C=C\C(=O)N2C[C@@H](C)C(=O)Nc3ccccc32)c1 255092962 ZVTOWBKICIJPDH-WBTMPAOCSA-N 321.380 3.025 10 10 DGCE CC[C@H](NC[C@@H](CO)c1ccccc1)c1ccc(F)cc1O 286299441 WPLBYIHJPAHRTI-YOEHRIQHSA-N 303.377 3.348 10 10 DGCE COC[C@H]1CCN1Cc1ccc(OCc2ccccc2)cc1O 293532878 BZQXHTRUFZSANO-QGZVFWFLSA-N 313.397 3.192 10 10 DGCE COC[C@H]1CCN1C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 294384764 PKXWPIPZIVOUCO-MRXNPFEDSA-N 316.376 3.094 10 10 DGCE C[C@H]1CCCCN1c1cc(Br)c(CN)cc1F 310401580 JGSGXRMHCWKDKT-VIFPVBQESA-N 301.203 3.426 10 10 DGCE Oc1cccc2c1[C@H](NC[C@H]1CCN1C1CCCCC1)CC2 527943766 BZQXJUSKNUGTDH-IAGOWNOFSA-N 300.446 3.376 10 10 DGCE C[C@H](NCC(C)(C)C(=O)N1CCCC1)c1cc(Cl)ccc1O 528016294 RCBQSKPZZLNJRT-LBPRGKRZSA-N 324.852 3.345 10 10 DGCE C[C@@H](NCc1ccccc1O)c1cncc(Br)c1 695250897 SWELRLMFCOUKRR-SNVBAGLBSA-N 307.191 3.401 10 10 DGCE C[C@@H](CNCc1cccc(Br)c1O)C(F)(F)F 697716974 OLVTXPQKIQIMCE-ZETCQYMHSA-N 312.129 3.443 10 10 DGCE C[C@H]1CCN(Cc2c(O)cccc2Br)C[C@H](C)O1 707144985 CKUQNERLBZUWCO-QWRGUYRKSA-N 314.223 3.154 10 10 DGCE Oc1ccccc1CN(CC[C@H]1CCCCO1)C[C@@H]1CCCO1 754070158 WVQKHSUGRJFTFD-MSOLQXFVSA-N 319.445 3.332 10 10 DGCE Cc1ccc(C(=O)Nc2ccnn2C2CCCCC2)c(O)c1O 780922983 MSCCUXPRLCQKAN-UHFFFAOYSA-N 315.373 3.360 10 10 DGCE C[C@H]1CC[C@H]1NCc1ccc(N2CCN(CC3CC3)CC2)cc1 783266081 NEBHHIUZQXTYQE-OXJNMPFZSA-N 313.489 3.107 10 10 DGCE CN(C)c1ccc(CN(C(=O)[C@H]2C[C@@H]2C(F)F)C2CC2)cc1 800831711 YTYCIXROCYEGCF-GJZGRUSLSA-N 308.372 3.145 10 10 DGCE COc1cc(C)nc(/C=C2/SC(=S)N(C3CCC3)C2=O)c1 814186087 VKZKWMQOYZCZPW-MDWZMJQESA-N 320.439 3.152 10 10 DGCE CC(C)(C)[C@@H]1CCN(Cc2cc(Cl)c(F)cc2O)C[C@H]1O 816560691 XMVVMXNXNDFUIL-IAQYHMDHSA-N 315.816 3.414 10 10 DGCE CC[C@@H](COCC1CC1)NCc1cc(Cl)c(F)cc1O 826867454 JSXIQGOLNRRVOW-LBPRGKRZSA-N 301.789 3.480 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCC[C@@H]3COCC[C@H]32)cc1 835029570 RKSWMYYAVUROTM-MGDPNLISSA-N 300.446 3.267 10 10 DGCE CC(C)CN(Cc1cnn(C)c1)Cc1cc2c(cc1O)CCC2 840157514 XGTYTUJTJRMVPF-UHFFFAOYSA-N 313.445 3.273 10 10 DGCE Oc1cccc2c1[C@@H](N[C@H]1CCN(c3ccc(F)cc3)C1)CC2 840899141 ZHXCXVGOKGNZED-RDJZCZTQSA-N 312.388 3.387 10 10 DGCE COc1cc(Br)cc([C@H](C)NC[C@H]2C[C@H]2C)c1O 848526955 MXEVIKPKYFJZPP-KXUCPTDWSA-N 314.223 3.470 10 10 DGCE CN(C)c1ccc(CN[C@@H](C[C@H]2CCCO2)C(F)(F)F)cc1 848572674 VKZQPDVVNVBGDD-CABCVRRESA-N 316.367 3.342 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@@H]2CCN(C(C)(C)C)C2)cc1 850351011 JTCQYCFTRKUNFB-JTGQJZMRSA-N 301.478 3.228 10 10 DGCE Nc1ccc(CC(=O)N(Cc2ccccc2F)CC2CC2)cc1 851646047 UNVPCEYFYQDSEZ-UHFFFAOYSA-N 312.388 3.389 10 10 DGCE C[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cscn1 852516085 LLFVKQIOCIUOPF-GFCCVEGCSA-N 318.446 3.112 10 10 DGCE Cn1cc(C(F)F)c(CNCc2c(O)ccc(Cl)c2F)n1 865808827 UCWIMHGJNCFLRM-UHFFFAOYSA-N 319.714 3.146 10 10 DGCE CC(C)(C)OC(=O)c1cccc(N2Cc3cccc(O)c3C2)n1 866117061 FRABBMOQWVHXTN-UHFFFAOYSA-N 312.369 3.263 10 10 DGCE CC(C)[C@H]1OCCC[C@@H]1CNC(=O)N[C@@H](C)c1ccccc1O 868343112 MGXSZSTYAIBCRV-JJRVBVJISA-N 320.433 3.204 10 10 DGCE CS[C@H]1CC[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 896697676 WYEBSSBKSYYUQM-ZJUUUORDSA-N 323.439 3.326 10 10 DGCE Cc1nc2c(o1)CCC[C@H]2NCc1ccc(N(C)C)c(F)c1 924861529 KLAZQHVISISKHG-CQSZACIVSA-N 303.381 3.355 10 10 DGCE COC(=O)C[C@@H](NCc1ccc(N(C)C)c(C)c1)C(C)(C)C 1176463478 HDQPPTGRWRDFHP-MRXNPFEDSA-N 306.450 3.128 10 10 DGCE C[C@H](NC(=O)[C@@H](c1ccccc1)n1cccn1)c1ccccc1O 1471194405 JZPJMRDTFBPEQK-KBXCAEBGSA-N 321.380 3.056 10 10 DGCE CN(Cc1ccccc1O)C(=O)[C@H](O)C1CCCCCCC1 1629955008 NLKFIZVGWPDQFL-QGZVFWFLSA-N 305.418 3.072 10 10 DGCE COC(=O)c1cnc(Sc2nc3ccc(F)cc3o2)s1 1642725764 XGJAJMVISHAYAQ-UHFFFAOYSA-N 310.331 3.361 10 10 DGCE O=C(NCc1ccc(-c2cnco2)cc1)NCc1ccccc1O 1676548573 BXVGBVJZEVBPNU-UHFFFAOYSA-N 323.352 3.047 10 10 DGCE Cc1cccc2sc(=Nc3cc(C(=O)O)ccc3O)[nH]c12 1859857773 IXMIPVUSXARCQD-UHFFFAOYSA-N 300.339 3.174 10 10 DGCE O=C(O)C=Cc1ccc(N2CC[C@H]3C[C@@H]3C2)cc1Br 1911871981 HGZZWFMHMFALAI-NWDGAFQWSA-N 322.202 3.393 10 10 DGCE Oc1cccc(Br)c1CNC[C@@H]1CC[C@H](F)C1 1945261870 RESUEBMRYXTIRR-ZJUUUORDSA-N 302.187 3.383 10 10 DGCE CO[C@](C)(Cc1ccc(N)cc1)[C@@H](C)NC(=O)OC(C)(C)C 1952943481 PKOZXRNKGPURSP-SJKOYZFVSA-N 308.422 3.130 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(N)cc2)C1(C)C 1959369545 GJTJWQBDGQOMRT-AWEZNQCLSA-N 305.422 3.469 10 10 DGCE C[C@@H]1C[C@H]([C@H](N)c2ccc(N(C)C)cc2)N1C(=O)OC(C)(C)C 1977946317 VDXKJZZYEOJMKG-DAXOMENPSA-N 319.449 3.150 10 10 DGCE CN(CC(C)(C)F)c1cc(Br)c(CN)cc1F 2001373183 LYSFEWRJTIOHEL-UHFFFAOYSA-N 307.182 3.231 10 10 DGCE CN(CC1(CF)CCC1)c1ccc(CN)cc1Br 2047711319 APKWGLHEIMXBGH-UHFFFAOYSA-N 315.230 3.484 10 10 DGCE CC[C@]12C[C@H]1CN(c1ccc(CNC)c(Br)c1)C2 2048615184 XGKCDMHLNXUYOR-SWLSCSKDSA-N 309.251 3.405 10 10 DGCE CNCc1ccc(N2CC(C(C)(C)F)C2)c(Br)c1 2058559649 MYCRTFWDLGXNES-UHFFFAOYSA-N 315.230 3.353 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN1CCc1ccc(Br)cn1 2059051948 VPPVCEUZLMJOJR-GFCCVEGCSA-N 310.199 3.161 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 2099332561 JLOJKQXWRHHTAZ-MRVPVSSYSA-N 320.827 3.255 10 10 DGCE C[C@@]1(O)CCC[C@H](NCc2cc(Cl)cc(Cl)c2O)C1 2102074883 PSCGHYRHERJFCU-SMDDNHRTSA-N 304.217 3.482 10 10 DGCE CCCNCc1ccc(N2CCO[C@@H](CF)C2)c(Cl)c1 2172051852 XNNOQNWOYDSCHK-ZDUSSCGKSA-N 300.805 3.014 10 10 DGCE Cc1cc([C@H](C)N)ccc1N1CC(N(C)Cc2ccccc2)C1 2212701584 LGMSZHXTWGPRDH-INIZCTEOSA-N 309.457 3.335 10 10 DGCE COc1ccc(Br)c(CNCCC2CCC2)c1O 2220462885 SGLLQINFCXUKMV-UHFFFAOYSA-N 314.223 3.443 10 10 DGCE CC1(C)[C@@H]2C[C@H]1CN(c1ccc(CN)c(Br)c1)C2 2221707378 BCTLZRRZNBNVRR-TXEJJXNPSA-N 309.251 3.390 10 10 DGCE Cc1cc(C(=O)O)c(C)n1-c1ncc(Br)cc1F 2256375020 DBLYLSIQTDIILV-UHFFFAOYSA-N 313.126 3.089 10 10 DGCE Oc1cccc2c1[C@H](Nc1cnncc1Br)CC2 2264145269 GZBUHSAXPYYPTJ-SNVBAGLBSA-N 306.163 3.044 10 10 DGCE OCc1ccc(N2CCC[C@@H](OCC(F)F)C2)c(Cl)c1 2279242313 LNBHQANSGBQRCS-LLVKDONJSA-N 305.752 3.083 10 10 DGCE CCCN1CCC[C@@H]([C@@H](C)NCc2cnc(SC)s2)C1 2284688615 LLJXVMOLPBUSFO-CHWSQXEVSA-N 313.536 3.465 10 10 DGCE CCc1nn(C)cc1NCc1ccc(C)c(Br)c1O 2352683112 FCJJTFGCYIEELX-UHFFFAOYSA-N 324.222 3.371 10 10 DGCE Cc1ccc(/C=C2/SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)cc1 5698430 NWXXQLZGOPJPFQ-NJAUWNEGSA-N 316.426 3.075 10 10 DGCE COc1ccc(/C=C2/SC(=S)N(CC(C)C)C2=O)cc1O 33306925 YYKSVRZURBZQHT-NTUHNPAUSA-N 323.439 3.258 10 10 DGCE C[C@@H](c1ccccc1O)N(C)C(=O)c1ccc(N)cc1Cl 40332840 OCNLKZIKKXWYCH-JTQLQIEISA-N 304.777 3.461 10 10 DGCE CC[C@@H]1CNc2cc(OC)c(OC)cc2N1CC(F)(F)F 57926301 AIPUMEHYZVRZMQ-SECBINFHSA-N 304.312 3.277 10 10 DGCE CC(C)N(CC(F)(F)F)c1cc2c(cc1Cl)[C@@H](N)C(=O)N2 92751339 RPCMBKNOBHYTBX-LLVKDONJSA-N 321.730 3.069 10 10 DGCE Oc1cc(OCc2ccccc2)c(Cl)cc1[C@@H]1COCCN1 95783735 HZWUXAIUQLRBIY-HNNXBMFYSA-N 319.788 3.286 10 10 DGCE CN(Cc1nc2cc(F)ccc2o1)c1ccc2c(c1)OCO2 121426432 QWGWIIGXHOWKGC-UHFFFAOYSA-N 300.289 3.332 10 10 DGCE CCN[C@H](C)c1ccc(N2C[C@H](C)[C@H](N(C)C)C2)c(Cl)c1 124336849 KKHUVWIGJPPGAY-OGHNNQOOSA-N 309.885 3.397 10 10 DGCE CO[C@@H](C)[C@H](C)N[C@H](C)c1cc(Br)ccc1O 191641044 OTKRFVYHYHAMON-AEJSXWLSSA-N 302.212 3.229 10 10 DGCE CCOc1cc(CNCCOC)ccc1N1CCC[C@H](C)C1 212710519 NIEZNMKDWSUCJY-HNNXBMFYSA-N 306.450 3.058 10 10 DGCE CC(=O)N(C(=O)Nc1c(F)cccc1F)c1ccc(N)cc1 243811034 QQMGLZGJBKJLFW-UHFFFAOYSA-N 305.284 3.132 10 10 DGCE CN[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)[C@H](C)[C@H]1C 252604362 OTEYGLKPFQKBNR-JTNHKYCSSA-N 302.340 3.408 10 10 DGCE C[C@H](CN(C)Cc1ccccc1)N[C@H](C)c1ccc(O)cc1O 381054495 IDBQVIMJJNHXIX-HUUCEWRRSA-N 314.429 3.269 10 10 DGCE O=C(/C=C\c1cnccn1)N(Cc1ccsc1)c1cccnc1 493699418 VTVLTRWCZCLFPA-ARJAWSKDSA-N 322.393 3.180 10 10 DGCE NCc1ccc(N2CC[C@@H](C(F)F)C2)c(F)c1Br 706395285 SGFJXJCTOPHNSA-MRVPVSSYSA-N 323.156 3.138 10 10 DGCE C[C@@H]1CN(c2ccc(/C=C/C(=O)O)c(Br)c2)[C@@H]1C 706828430 BVWPSZZSZPBVDW-NEPGKVPFSA-N 310.191 3.392 10 10 DGCE C[C@H](N)c1ccc(N2CC[C@@H](CF)C2)c(Br)c1 711513674 ODKWHVIFNPXLSS-UWVGGRQHSA-N 301.203 3.265 10 10 DGCE C[C@H](O)c1ccc(N2C[C@@H]3[C@@H](C2)C3(F)F)cc1Br 715519779 COBWCZFMOIYXTD-WHGOUJPWSA-N 318.161 3.204 10 10 DGCE Cc1cc(C(=O)N2CC[C@H](C)[C@H](F)C2)c(C)n1-c1ccccn1 778466866 IJALCKKRCBSBFE-BLLLJJGKSA-N 315.392 3.309 10 10 DGCE CCc1ccc([C@H](C)NC(=O)c2c(F)ccc(O)c2O)cc1 789939521 OIEPMMPWPANLLM-JTQLQIEISA-N 303.333 3.290 10 10 DGCE C=C/C(C)=C/CC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 819586574 ADLGWRIMSSUPFF-HSUWOCHWSA-N 314.429 3.160 10 10 DGCE Oc1ccc(Br)cc1CNc1nc(C2CCC2)no1 828194677 QOUUJCQTANMFCH-UHFFFAOYSA-N 324.178 3.417 10 10 DGCE Cc1ccc(C(=O)N[C@@H]2CC=CC[C@H]2C(F)(F)F)c(O)c1O 828540237 HAPNMCUTGKVHPY-GHMZBOCLSA-N 315.291 3.033 10 10 DGCE CCN(CC)c1ccc(CNC(=O)N2C[C@@H](C)[C@H]2C)cc1F 838392315 SWFFVXYYKUMDHJ-CHWSQXEVSA-N 307.413 3.222 10 10 DGCE Oc1ccc(F)cc1CNCC[C@H]1CCc2ccccc2N1 844911979 QMFXELWNVAOWAU-MRXNPFEDSA-N 300.377 3.438 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)c3ccc(C)cc3C)C2)cc1 855234738 LJHBKUGGMYRYEK-INIZCTEOSA-N 324.424 3.321 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H](C)C(F)(F)F 859421259 SVWKHQABDDGJPA-LLVKDONJSA-N 302.340 3.266 10 10 DGCE CC(C)Oc1ccccc1CC(=O)N1Cc2cccc(O)c2C1 871201143 PWNXPVKPJKECID-UHFFFAOYSA-N 311.381 3.264 10 10 DGCE C[C@H](N[C@H](CO)CCc1ccccc1)c1ccc(F)cc1O 903289494 KODBRKXWDVFGEG-BBRMVZONSA-N 303.377 3.176 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@H](C2CC2)[C@@H]2CCCOC2)c1 927071219 XJPPBNIJJZDYHY-WPKBUWHJSA-N 305.418 3.257 10 10 DGCE COC(=O)c1cnc(SCc2ccc3nccnc3c2)s1 1166234456 LVMRJAQIKZKIID-UHFFFAOYSA-N 317.395 3.165 10 10 DGCE CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2[C@H]2CCCO2)c1O 1176927490 SJIUUNCBWCWMAU-IAGOWNOFSA-N 321.392 3.267 10 10 DGCE CCCCN(C)Cc1c(Br)ccc(OC)c1O 1231547863 KOOPOBAGOXFTLJ-UHFFFAOYSA-N 302.212 3.395 10 10 DGCE Cc1cccc(C(C)(C)CNC(=O)c2ccc(C)c(O)c2O)c1 1292334237 BOEVDJXCQPYFQE-UHFFFAOYSA-N 313.397 3.422 10 10 DGCE C[C@H](NC(=O)NCc1cccc(F)c1F)c1ccccc1O 1313093538 PYHDSZIOAGOJND-JTQLQIEISA-N 306.312 3.231 10 10 DGCE COc1ccc(C[C@@H](C)N(C)Cc2c(O)cccc2OC)cc1 1319716453 PUORDOOPUJZUOR-CQSZACIVSA-N 315.413 3.472 10 10 DGCE CC(C)(C)N1CC[C@H]1CNCc1ccc(N2CCCC2)cc1 1327578082 RLKDENFXLKCSGE-SFHVURJKSA-N 301.478 3.249 10 10 DGCE Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NC[C@@H]1CNCCC1(F)F 1354234659 ILRKIEAZHGJUQP-AGIUHOORSA-N 310.388 3.083 10 10 DGCE Cc1ccc2c(n1)N(C(=O)/C=C/c1ccc(Cl)nc1)CCC2 1439033347 JNBFMMOLEPBKBY-RMKNXTFCSA-N 313.788 3.431 10 10 DGCE CC(=O)N(C)c1ccc(NCc2ccc(N(C)C)c(F)c2)cc1 1461250175 ZFIKHFCOCTWEJT-UHFFFAOYSA-N 315.392 3.487 10 10 DGCE C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)NCc1cccc(Cl)c1O 1471348760 BDNCKNWUUYZAGI-IXOXFDKPSA-N 308.809 3.137 10 10 DGCE C[C@H]1Cc2cccc(C(=O)NCc3cccc(Cl)c3O)c2O1 1472316972 PLVGARUDVJQUEM-JTQLQIEISA-N 317.772 3.299 10 10 DGCE CN(Cc1ccoc1)C(=O)c1cc2cc(O)c(O)cc2s1 1543511015 GRJOEXBAHICMMN-UHFFFAOYSA-N 303.339 3.178 10 10 DGCE Cc1c[nH]nc1C(=O)NCc1cc(C)n(-c2ccccc2)c1C 1642459659 SFBFMTGDSSITDS-UHFFFAOYSA-N 308.385 3.056 10 10 DGCE C[C@@H](Cn1ccc2ccccc21)C(=O)NCc1cc(O)ccc1O 1643882315 SSWQGBVIVKMYEH-ZDUSSCGKSA-N 324.380 3.005 10 10 DGCE COC(=O)c1cc(CN(CC(C)C)c2ccc(OC)cc2)on1 1646258333 CPANEGDYWFVMMM-UHFFFAOYSA-N 318.373 3.132 10 10 DGCE c1ccc2c(c1)CN(CCNCc1ccc(N3CCCC3)cc1)C2 1656976008 NKGWPKIPRFTKDF-UHFFFAOYSA-N 321.468 3.392 10 10 DGCE O[C@H]1C[C@@H]2CN(c3ccc(OCc4ccccc4)cc3)C[C@@H]2C1 1899874641 OKHWLONEPLBVJC-DZFIZOCASA-N 309.409 3.473 10 10 DGCE O=C(O)C=Cc1ccc(N2C[C@H]3CSC[C@@H]3C2)cc1Cl 1911926721 YDNCKDJXZHDWMG-RYUDHWBXSA-N 309.818 3.237 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@](C)([C@H](N)c2ccccc2O)C1 1928472692 SSSVKIHGZIMRNA-RHSMWYFYSA-N 306.406 3.039 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C[C@@H](N)c1ccccc1O 1936979095 AHGQQASPCWJNAL-BPLDGKMQSA-N 320.433 3.476 10 10 DGCE COc1ccc(CN[C@]23C[C@@H]2CN(Cc2ccccc2)C3)cc1C 1950089216 FHDOXAZBTFAKHR-CTNGQTDRSA-N 322.452 3.368 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)CCCOCc1ccccc1 1958668631 NSEFXVTWBADFRQ-HNNXBMFYSA-N 302.378 3.285 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCN(CCN=[N+]=[N-])C1 1962300062 PCEMMOQZSWMREB-QWHCGFSZSA-N 309.414 3.018 10 10 DGCE C[C@H](O)c1ccc(N2C[C@@H](F)C[C@H]2C)cc1Br 1997691126 HNJMSEVDVOBWFH-UTLUCORTSA-N 302.187 3.439 10 10 DGCE OCc1ccc(N2CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 2003090233 QMMFGPGEGHMAFE-PMACEKPBSA-N 322.452 3.137 10 10 DGCE CN(c1ccc2c(c1)CC[C@@H]2O)[C@@H]1CCN(Cc2ccccc2)C1 2012705610 RBNMPXIFFSIIHA-CTNGQTDRSA-N 322.452 3.377 10 10 DGCE C[C@H]1CN(c2ccc3c(c2)CC[C@@H]3N)CCN1Cc1ccccc1 2012710980 WPQUUCIZYWNYCE-KKSFZXQISA-N 321.468 3.343 10 10 DGCE Nc1cccc(Br)c1N[C@@H]1CCC[C@H]2OCC[C@@H]12 2042307142 DVNVMBYNLALMRX-ZWKOPEQDSA-N 311.223 3.401 10 10 DGCE CN(c1cc(Br)c(CN)cc1F)[C@@H]1CC[C@H]2C[C@H]21 2046868093 WPSBSIVLCNKRJS-IYYTYJHQSA-N 313.214 3.282 10 10 DGCE C[C@H]1CO[C@H](CN(C)Cc2c(O)cccc2Br)C1 2047491322 OAMIEBVRQIGKNP-MNOVXSKESA-N 314.223 3.012 10 10 DGCE CCOC(=O)c1cc(C2CCC2)nn1Cc1c(C)cccc1O 2069942746 MDZUGKNSEXUPIV-UHFFFAOYSA-N 314.385 3.390 10 10 DGCE CNCc1ccc(N(C)[C@@H]2[C@H]3[C@H]4C[C@@H]2C[C@H]43)cc1Br 2134329917 MFEXSVRDYYIVKC-KYBZKERUSA-N 321.262 3.259 10 10 DGCE CC(C)C[C@H]1CN(c2cc(Cl)c(CN)cc2F)CCO1 2177376102 AUXGVWUYAPKZKC-LBPRGKRZSA-N 300.805 3.189 10 10 DGCE CC(C)CN(c1cc(Cl)c(CN)cc1F)[C@@H]1CCOC1 2177386970 FWALLQPGQCIMCV-GFCCVEGCSA-N 300.805 3.189 10 10 DGCE Oc1c(F)cc(F)cc1CN[C@@H]1CS[C@H](C(F)(F)F)C1 2189247234 XKMZQUIMXNFMEY-WPRPVWTQSA-N 313.291 3.196 10 10 DGCE COCCN(Cc1ccccc1)c1ccc(OC)cc1C(=O)O 2211284504 ASTHVRLRKGOITA-UHFFFAOYSA-N 315.369 3.046 10 10 DGCE Cc1ccnc(C(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])c1Br 2225794523 GPHCQNNATWLUNE-DTWKUNHWSA-N 324.182 3.114 10 10 DGCE COc1ccc(C(=O)Nc2ccc(N)cc2)c(Br)c1 2232077756 UELZVTMJAZHIMX-UHFFFAOYSA-N 321.174 3.292 10 10 DGCE Cc1cc(O)c([C@H](C)N(C)C[C@@]2(F)CCOC2)cc1Cl 2286446131 XGIFFQRDGLBZQC-NHYWBVRUSA-N 301.789 3.475 10 10 DGCE CCN[C@]1(C(=O)O)CCCC[C@@H]1CCSc1nccs1 2288745327 QLLMBNCTONYLHM-BXUZGUMPSA-N 314.476 3.248 10 10 DGCE CCSC1=NSC2=NC(=O)C(=Cc3cccs3)C(=N)N12 2297333799 TUTKATCJEVNJKG-UHFFFAOYSA-N 322.440 3.078 10 10 DGCE CN(C)c1ccc(CNC(=O)NCC=Cc2ccccc2)cc1 2297549453 XAGUGDJIOMGIQW-UHFFFAOYSA-N 309.413 3.265 10 10 DGCE CCCOC(=O)c1cccc(N=NN2C[C@H](C)O[C@@H](C)C2)c1 2330232971 RCFVSRUKOXVRDH-STQMWFEESA-N 305.378 3.361 10 10 DGCE C[C@H]1CSC[C@@H]1NCc1cc(OC(F)(F)F)ccc1O 2361044687 CFIYUIVBPFRTQW-KWQFWETISA-N 307.337 3.132 10 10 DGCE Nc1ccc(Cc2nnc(Nc3cc(Cl)ccc3O)o2)cc1 74385037 JECPROUFMNIEHI-UHFFFAOYSA-N 316.748 3.345 10 10 DGCE Cc1ccc(Br)cc1C(=O)NCc1ccc(N)cc1 87741753 KSBYMTKZCNASIU-UHFFFAOYSA-N 319.202 3.270 10 10 DGCE CCOc1cccc(CN2CCO[C@H](c3ccsc3)C2)c1O 93768339 RLNSGULKCYGMDS-INIZCTEOSA-N 319.426 3.426 10 10 DGCE COc1ccccc1-c1ccc2c(N)c(C(=O)O)sc2n1 95081191 DTNJWWZYUVLJPB-UHFFFAOYSA-N 300.339 3.252 10 10 DGCE CC(C)=CCC1(CC=C(C)C)C(=O)C(=O)[C@H](C(=O)C(C)C)C1=O 100772710 HMEGPOIWNGKXBR-AWEZNQCLSA-N 318.413 3.248 10 10 DGCE endogenous,in-man C[C@@H](C(=O)N[C@H](C)c1ccccc1)N(C)Cc1ccccc1O 109771822 VQEJIDZPNTYGKJ-CABCVRRESA-N 312.413 3.090 10 10 DGCE Cc1cc(C(=O)NC[C@@H](C)CO)c(C)n1-c1ccc(Cl)cc1 120728390 JBRMOKNSSHQNIF-LLVKDONJSA-N 320.820 3.106 10 10 DGCE C[C@@H](NCCCNC(=O)OC(C)(C)C)c1cc(F)ccc1O 185340936 CJURNPFUVAAATA-LLVKDONJSA-N 312.385 3.097 10 10 DGCE CC1CCN([C@H](C)CN[C@H](C)c2ccc(F)c(F)c2O)CC1 187677238 CXHMJZIVSGCOLN-CHWSQXEVSA-N 312.404 3.441 10 10 DGCE [N-]=[N+]=NCCCCNC(=O)c1cccc(Br)c1F 231732263 SNGNOLQVWIURRY-UHFFFAOYSA-N 315.146 3.409 10 10 DGCE C[C@@H](N)c1ccc(N2CCC[C@H](F)C2)c(Br)c1 689389525 VUXVFSMMHNJECI-KOLCDFICSA-N 301.203 3.407 10 10 DGCE CCc1cccc(CN[C@@H](C)CN(C)C(=O)OC(C)(C)C)c1O 701914910 IDEGLMDXTBGRIU-ZDUSSCGKSA-N 322.449 3.300 10 10 DGCE C[C@H](NC[C@H]1CCN1Cc1ccccc1)c1c(O)cccc1O 716297545 IHDYUPYJIAGIQN-GOEBONIOSA-N 312.413 3.023 10 10 DGCE CCOC(=O)CCOC(=O)c1sccc1-n1c(C)ccc1C 734283044 WHNNCZKWCMIOND-UHFFFAOYSA-N 321.398 3.266 10 10 DGCE O=C(/C=C/C1CC1)Nc1c(-c2ccccn2)nc2ccccn12 751302182 KOVLEOVMEVDVBH-MDZDMXLPSA-N 304.353 3.301 10 10 DGCE COC(=O)/C=C\c1ccc(N2CC[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 751968558 OQGWNEVBOATVIW-RAUBUVQISA-N 304.346 3.016 10 10 DGCE Oc1cc2c(cc1CN1CC[C@H](C3CCOCC3)C1)CCC2 754786432 UYSDCPMGYNBNAP-KRWDZBQOSA-N 301.430 3.129 10 10 DGCE CCOc1ccc(O)c(CN(C)Cc2cccc(OC)c2)c1 768162372 CWMBKJZEOOMUJJ-UHFFFAOYSA-N 301.386 3.432 10 10 DGCE COC1CCC(CNCc2cc(Cl)cc(F)c2O)CC1 776232009 NJHBPEVMBHWBKR-UHFFFAOYSA-N 301.789 3.480 10 10 DGCE C[C@H]1CC[C@@H]1NCc1ccc(N2CCN(CC3CC3)CC2)cc1 783266080 NEBHHIUZQXTYQE-JXFKEZNVSA-N 313.489 3.107 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(C)c(F)c1 808096238 FARFOMTYEROKKM-UHFFFAOYSA-N 308.349 3.255 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2Cc1cc2cccnc2o1 824173233 YWJXDICEPUJUTN-UHFFFAOYSA-N 309.369 3.293 10 10 DGCE Cc1cc(O)c(CN[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)cc1C 824643914 LZYMVCFFVSJKSN-UONOGXRCSA-N 322.449 3.400 10 10 DGCE C[C@@H](NC[C@@H]1C[C@H]1C1CC1)c1ccc(N2CCOCC2)c(F)c1 834906277 NZBCARKMDRARDU-COXVUDFISA-N 318.436 3.359 10 10 DGCE Cc1ncsc1CCNC/C=C/c1ccc(N(C)C)cc1 835053463 CQDFNXHMKDXCSJ-SNAWJCMRSA-N 301.459 3.363 10 10 DGCE COc1cccc([C@@H](C)N[C@@H](C2CCOCC2)C2CC2)c1O 846189840 UTVMMAACLSXYJI-SJKOYZFVSA-N 305.418 3.257 10 10 DGCE CCOc1ccc(CNC[C@H]2CCC3(CCCC3)O2)c(O)c1 848576287 LWZSMGIFUPIOHB-MRXNPFEDSA-N 305.418 3.372 10 10 DGCE CCc1cccc(CN[C@H](C)c2cn(-c3ccccc3)nn2)c1O 848897601 JXXWIMQFZQWALL-CQSZACIVSA-N 322.412 3.386 10 10 DGCE C[C@H](N[C@H]1CCC[C@H]1Cc1cnn(C)c1)c1ccc(F)cc1O 850540053 HVWXUHKFVNJQMK-JDFRZJQESA-N 317.408 3.327 10 10 DGCE CCC(CC)CCCN(C)Cc1cc2c(cc1O)OC[C@H]2O 853589911 QWKVDGVNWAYCKQ-QGZVFWFLSA-N 307.434 3.466 10 10 DGCE C[C@H](NCc1cc(F)c(N(C)C)cc1F)[C@H](O)c1ccccc1 858164687 CTMRTTUJJPIHQX-SGTLLEGYSA-N 320.383 3.243 10 10 DGCE COc1cc(C)cc(CN2CC[C@@H](c3ccc(O)cc3)C2)c1O 895413448 DEVQNVTWLYGOAO-OAHLLOKOSA-N 313.397 3.404 10 10 DGCE CS[C@H]1CC[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 896697674 WYEBSSBKSYYUQM-UWVGGRQHSA-N 323.439 3.326 10 10 DGCE CCN(C)c1ccc([C@H](C)NC[C@]2(OC)CCSC2)cc1 903309487 FCSLMQQQTUDWDJ-WMLDXEAASA-N 308.491 3.315 10 10 DGCE Cc1ccc([C@H](C)NC[C@H]2CCC3(CCOCC3)O2)c(O)c1C 927012949 HXSIYBVSTVZUPB-JKSUJKDBSA-N 319.445 3.388 10 10 DGCE COc1ccc(CN[C@@H](C)CNC(=O)[C@@H]2CCC2(C)C)cc1C 1266963879 IQLKNRNJYOWFPH-HOCLYGCPSA-N 318.461 3.034 10 10 DGCE O=C(NCc1cccc(O)c1O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 1347541388 FPSBDIGBPNPVAO-MELADBBJSA-N 303.402 3.321 10 10 DGCE CNCc1ccccc1CNCc1ccc(N2CCCC2)cc1 1349523820 XHJMBBHKSCTXPN-UHFFFAOYSA-N 309.457 3.296 10 10 DGCE CC[C@@H]1CCCC[C@H]1CNC(=O)/C=C\c1ccc(O)c(O)c1 1450416444 ULCMPXCTXFXOEE-WVYYZCOMSA-N 303.402 3.444 10 10 DGCE CC[C@@](C)(O)C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C 1454623861 IYIOOLHITZQIJU-LJQANCHMSA-N 314.429 3.180 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)Nc1cc(F)c(O)cc1Cl 1456603899 FRMYWGPMLJWFHP-RQOWECAXSA-N 323.707 3.248 10 10 DGCE C[C@@H](NC(=O)[C@@]1(O)CCCC(C)(C)C1)c1ccc(N(C)C)cc1 1467260827 UZQSRUAQFJIXOP-AUUYWEPGSA-N 318.461 3.261 10 10 DGCE O=C(N[C@H]1CCCc2c(F)cc(F)cc21)c1cccc(O)c1O 1468493977 IFTNKXNZZUNKNN-AWEZNQCLSA-N 319.307 3.183 10 10 DGCE COC(=O)c1cnc(SCc2cncc(Cl)c2)s1 1613813129 UJQOMSPOWOHXEN-UHFFFAOYSA-N 300.792 3.270 10 10 DGCE Cc1ccc(-c2ccc(C(=O)NCc3ccccc3O)cc2)nn1 1630362914 BOMBLGGBFGIXRN-UHFFFAOYSA-N 319.364 3.088 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)Nc1nc2ccc(F)cc2o1 1639768609 JHEMCWSEKRODJW-SECBINFHSA-N 302.305 3.421 10 10 DGCE CCCC1=NN(C)C(=O)/C1=C/c1cccc(OC)c1OCC 1865670069 HAEITGWRIZCKPH-ACCUITESSA-N 302.374 3.105 10 10 DGCE CC[C@@H](C)[C@H](N)C(=O)Nc1ccc(Oc2ccc(N)cc2)cc1 1865950357 SNJQQSAGGPVPLZ-PXAZEXFGSA-N 313.401 3.373 10 10 DGCE [N-]=[N+]=NC1CN(C(=O)c2cccc(Br)c2Cl)C1 1912194798 WMGBZVZOSIMGGA-UHFFFAOYSA-N 315.558 3.237 10 10 DGCE NCc1cc(F)c(N(Cc2ccccc2)[C@H]2CCOC2)c(F)c1 1915479213 ZGHQMBFIVFQRME-HNNXBMFYSA-N 318.367 3.219 10 10 DGCE C[C@H](CNCc1cc(Br)cc(F)c1O)C(F)F 1922257956 GMNCAGBOOQMVOT-ZCFIWIBFSA-N 312.129 3.285 10 10 DGCE CC[C@]1(F)CCN(c2ccc(CN)c(Br)c2)C1 1925579678 QMVVFGPSYHQZFM-ZDUSSCGKSA-N 301.203 3.236 10 10 DGCE CN[C@H](c1ccccc1O)[C@H](C)CCNC(=O)OC(C)(C)C 1928464254 DBZFXQBIRBOUAU-DOMZBBRYSA-N 308.422 3.204 10 10 DGCE CC(C)(C)OC(=O)Nc1cccc([C@H]2NCCC2(F)F)c1O 1952985977 QVSLQFYLQBTTDA-GFCCVEGCSA-N 314.332 3.409 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccccc2N)C12CC2 1959350571 FGSJOBSANSCVFF-AWEZNQCLSA-N 303.406 3.223 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@](C)(CNc2ccc(N)cc2)C1 1959383005 QGMMEJNSHDPQGC-KRWDZBQOSA-N 305.422 3.328 10 10 DGCE CC(C)OC(C)(C)CNCc1cccc(Br)c1O 1964608204 XLMYEKPTGDJRAU-UHFFFAOYSA-N 316.239 3.448 10 10 DGCE Oc1cccc(Br)c1CNCC1(CF)CCC1 1974149772 KUBNMZPTQVGDAA-UHFFFAOYSA-N 302.187 3.384 10 10 DGCE CN(C)c1ccc([C@H](O)[C@]2(C)CCN2C(=O)OC(C)(C)C)cc1 1977938910 MJBFZBRPYSJFGY-YJBOKZPZSA-N 320.433 3.186 10 10 DGCE CN(Cc1ccccc1)[C@@H]1CCCN(Cc2ccc(N)cc2)C1 1980494853 DQAWODAARKNKAC-HXUWFJFHSA-N 309.457 3.365 10 10 DGCE Cc1cccc(CNCC2(N(C)C(=O)OC(C)(C)C)CC2)c1O 1988063029 BDXDWMJXUCZYCA-UHFFFAOYSA-N 320.433 3.190 10 10 DGCE C[C@@H](O)c1cc(F)c(N(Cc2ccccc2)[C@H](C)CO)c(F)c1 1990407505 STMBLVSOQFVFKW-CHWSQXEVSA-N 321.367 3.406 10 10 DGCE CCCN(CCOC)c1ccc([C@@H](C)N)c(Br)c1 2036714807 NYXJFFIHQCPXFQ-LLVKDONJSA-N 315.255 3.332 10 10 DGCE C[C@@H](c1ccc(F)cc1O)n1cc(C(=O)OC(C)(C)C)cn1 2069976340 HGHDHSMZAUOUAO-JTQLQIEISA-N 306.337 3.292 10 10 DGCE CC(C)c1nn(Cc2cc(F)ccc2O)c(C(F)F)c1CO 2078986001 NJPMQJXIRZEHEM-UHFFFAOYSA-N 314.307 3.329 10 10 DGCE Brc1cc(CNCc2ccc3c(c2)CCCO3)on1 2087531115 SRCIIVMSQWYQIO-UHFFFAOYSA-N 323.190 3.052 10 10 DGCE C[C@@]12CSC[C@@H]1CN(c1cc(Cl)c(CN)cc1F)C2 2120878935 FPXFDJYMJXYGKF-IINYFYTJSA-N 300.830 3.127 10 10 DGCE CNCc1ccc(N2CC(CSC)C2)c(C(F)(F)F)c1 2161141194 NTOPAVSJGXRIQN-UHFFFAOYSA-N 304.381 3.224 10 10 DGCE CN1CCc2cc([C@@H](N)[C@@H](O)c3ccsc3Cl)ccc21 2163136401 SJUPOAPKIDPIDV-KGLIPLIRSA-N 308.834 3.127 10 10 DGCE CN(c1ccc(CO)cc1F)[C@@H]1CS[C@H](C(F)(F)F)C1 2189473751 LHGNSLQRUPKARZ-CABZTGNLSA-N 309.328 3.191 10 10 DGCE COc1ccc(Br)c(NCc2ccc(N)cc2)n1 2254582725 ZLSHITSVDPDESI-UHFFFAOYSA-N 308.179 3.047 10 10 DGCE CP(C)(=O)C1CN(c2ccc(CO)c(C(F)(F)F)c2)C1 2286169949 FJTUSVGARRPWBH-UHFFFAOYSA-N 307.252 3.009 10 10 DGCE COC[C@@H](CN(C)[C@H](C)c1cc(Cl)c(C)cc1O)OC 2286442551 HYJQLCALPHWFFE-VXGBXAGGSA-N 301.814 3.008 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)N[C@H]1CCCc2sccc21 2309366020 FBWGPLJCDLOJPO-ZDUSSCGKSA-N 315.394 3.366 10 10 DGCE COC(C)(C)C1(NCc2cc(Br)ccc2O)CC1 2320601369 PBDSTTSBSSGEPU-UHFFFAOYSA-N 314.223 3.202 10 10 DGCE O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C\C=C\c1ccccc1 453793 VJGITCDMOMKAQD-SBFJKYRKSA-N 324.380 3.037 10 10 DGCE CCOC(=O)C1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 33299949 XCAHGFLJDLRKJQ-WAYWQWQTSA-N 316.445 3.041 10 10 DGCE COCCCNCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 62657927 UTHQPOOTIBPUPX-UHFFFAOYSA-N 318.392 3.042 10 10 DGCE COc1cc(Cl)cc(CNc2ccc(C(=O)O)cc2)c1O 76274126 QEFMDWZIGFVWGN-UHFFFAOYSA-N 307.733 3.365 10 10 DGCE CC[C@H](NC(=O)NCc1cccc(OC)c1O)c1cccs1 174210866 VFBGNIAOSRAPRK-LBPRGKRZSA-N 320.414 3.413 10 10 DGCE COc1cccc(F)c1NC(=O)NCc1ccc(N(C)C)cc1 186104788 PLXGVYISUFQBIX-UHFFFAOYSA-N 317.364 3.222 10 10 DGCE O=C1O[C@@H](COc2ccc(N3CCCC3)cc2)CC12CCC2 190100259 SVKJQQZRQQRJDE-MRXNPFEDSA-N 301.386 3.151 10 10 DGCE c1cc(N2CCCCC2)ccc1CNC[C@@H]1CCN(C2CC2)C1 236673769 CXWUMAODVHQFJF-SFHVURJKSA-N 313.489 3.251 10 10 DGCE Cc1ccc(O)c(CN2C[C@H](O)C[C@H]2c2cc(F)ccc2F)c1 246800463 QTAKTAXVDKZVAH-PBHICJAKSA-N 319.351 3.287 10 10 DGCE C[C@@H]1C[C@H]1c1ccc(/C=C\C(=O)NCc2ccc(O)c(O)c2)o1 255106969 OYHRBBNJYBJFOP-QRWLWRBWSA-N 313.353 3.144 10 10 DGCE CC[C@@H](NC[C@H](O)c1ccccc1OC)c1ccc(F)cc1O 285541496 CCNKVKWNKYAFFM-WBVHZDCISA-N 319.376 3.314 10 10 DGCE Oc1cc(F)c(Cl)cc1CNCC[C@@H](O)c1ccccc1 294009221 UCSPHKUIFVWBNR-OAHLLOKOSA-N 309.768 3.398 10 10 DGCE COc1ccccc1N1CC[C@@H](N[C@@H]2CCc3cccc(O)c32)C1 297608312 IJEATCXUEGJOFQ-HZPDHXFCSA-N 324.424 3.257 10 10 DGCE C[C@H]1CN(Cc2ccccc2)CCN(Cc2ccc(N)cc2)C1 323880210 CKYNHKBUIYZEJE-KRWDZBQOSA-N 309.457 3.223 10 10 DGCE COc1cccc(CN2CCC(c3ccc(C)nc3)CC2)c1O 377248760 HHLRGOZNWQNJHX-UHFFFAOYSA-N 312.413 3.484 10 10 DGCE CN(CCCOCc1ccccc1)Cc1cc(N)ccc1O 383917540 XYEHFFCCUPZHRP-UHFFFAOYSA-N 300.402 3.013 10 10 DGCE COCCCCN(C)c1ccc([C@H](C)N)cc1Br 397205701 SLKJVKPVFZWXOU-NSHDSACASA-N 315.255 3.332 10 10 DGCE CNCc1ccc(N2CCC(F)(F)CC2)c(Br)c1 405071980 XGUIQQGABIBMCC-UHFFFAOYSA-N 319.193 3.404 10 10 DGCE C[C@H]1CN(c2ccc(CO)cc2Cl)C[C@@](C)(C(F)F)O1 698789911 YATQSQXNROCNGB-XPTSAGLGSA-N 305.752 3.081 10 10 DGCE CC[C@@H]1[C@H](NCc2ccccc2O)CCN1C(=O)OC(C)(C)C 704613953 FOYRSMVOZRFGSG-HUUCEWRRSA-N 320.433 3.270 10 10 DGCE Nc1cccc(Br)c1N[C@H](CCO)C1CCCC1 725126929 LCOIPOVLWKURQF-CYBMUJFWSA-N 313.239 3.384 10 10 DGCE Oc1cc2c(cc1CN(C[C@H]1CCCO1)C1CCCC1)OCO2 742166520 OXQQTYYZIQQWAC-OAHLLOKOSA-N 319.401 3.045 10 10 DGCE CO[C@@H](C)CN(Cc1cc(Cl)cc(C(C)=O)c1O)C(C)C 750048981 QIBBKYXSNNDUTF-NSHDSACASA-N 313.825 3.494 10 10 DGCE CCOc1ccc(O)c(CN(C)Cc2ccccc2N(C)C)c1 809787376 APQFNMNBJCQPIW-UHFFFAOYSA-N 314.429 3.489 10 10 DGCE Cc1cccc(-n2c(C)cc(C(=O)N3CCO[C@@H]4C[C@@H]43)c2C)c1 816898632 FBULMDIEKKDJAQ-ZWKOTPCHSA-N 310.397 3.016 10 10 DGCE COc1cc(Cl)cc(CN[C@H](c2ccccc2)[C@@H](C)O)c1O 827856801 SAIALNOWIMLRSX-BZNIZROVSA-N 321.804 3.266 10 10 DGCE CCc1cc(CCCN[C@H](C)c2cc(OC)ccc2O)on1 828682743 SBDYRWDXWKGXEE-GFCCVEGCSA-N 304.390 3.235 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)c1ccc(F)s1 830559142 JTPGONPGKCBTIS-UHFFFAOYSA-N 305.374 3.402 10 10 DGCE C[C@H](NC(=O)N1CC[C@]2(C1)CC2(F)F)c1ccc(N(C)C)cc1 845123698 CZSJHIVRMWCBLJ-BLLLJJGKSA-N 323.387 3.254 10 10 DGCE Cc1cc(O)c(CN2CCC[C@@H](C3CCNCC3)C2)cc1C 849350744 UTUZQWDLBBWDLE-QGZVFWFLSA-N 302.462 3.221 10 10 DGCE Cc1cc(O)c(CNCC2(O)CCC(F)(F)CC2)c(Cl)c1 850405559 UCRNHROJYKKYBE-UHFFFAOYSA-N 319.779 3.384 10 10 DGCE C[C@H](O)[C@@H](NCc1c(O)ccc(Cl)c1F)c1ccccc1 850421571 YTUDSRGPXOKKBV-MGPLVRAMSA-N 309.768 3.396 10 10 DGCE Nc1ccc(CCNC(=O)N2CCC[C@@H](C3CCC3)C2)cc1 851664599 GNWGKJIBXDAFCF-MRXNPFEDSA-N 301.434 3.033 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)C[C@H](C)C(F)(F)F)c1 860242082 OWMLQHKWIVYRCB-IUCAKERBSA-N 305.296 3.167 10 10 DGCE CCOC(=O)c1cc(CN[C@H](C)c2ccc(Cl)cc2O)on1 866515224 DMLAXTHRGHBEOH-SECBINFHSA-N 324.764 3.061 10 10 DGCE CC[C@@H](NC[C@]1(OC(C)C)CCOC1)c1ccc(F)cc1O 903357219 LAYQGZCJHPZDLD-NVXWUHKLSA-N 311.397 3.156 10 10 DGCE C[C@H](NC(=O)[C@H]1Cc2cc(Cl)ccc2O1)c1ccccc1O 1151892665 VJXOAEGNRYOCSQ-MGPLVRAMSA-N 317.772 3.227 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2ccc(-c3cnn(C)c3)cc2)c1 1167293764 RLXFNEFGJQWAMC-UHFFFAOYSA-N 321.380 3.031 10 10 DGCE Cc1cc(C)c(C(=O)NCc2cc(Cl)ccc2O)cc1C=O 1300396376 PXOCUSMYJXMJMZ-UHFFFAOYSA-N 317.772 3.405 10 10 DGCE CC[C@@H](C)[C@@H](OC)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1351164066 SVWRWPPVHPNJFQ-CRAIPNDOSA-N 318.461 3.306 10 10 DGCE C[C@H](Cc1cccc(Cl)c1)C(=O)NCc1ccc(O)cc1O 1451770128 PCMQSEATQJSLHL-LLVKDONJSA-N 319.788 3.246 10 10 DGCE O=C(NCc1ccccc1O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 1636058379 ZNXFYFUQRIXBEK-LSDHHAIUSA-N 301.773 3.466 10 10 DGCE COc1ccc(OCCN=NNc2cccc([N+](=O)[O-])c2)cc1 1860494636 BTMBFGCEAURSDX-UHFFFAOYSA-N 316.317 3.462 10 10 DGCE CCCN1N=C(CC)/C(=C\c2ccc(OC)cc2OC)C1=O 1865678769 CWRKWYHDSJLSHM-GXDHUFHOSA-N 302.374 3.105 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN(C(=O)c2ccncc2Br)C1 1912156200 LIIDHPCKGCZQLD-SECBINFHSA-N 324.182 3.007 10 10 DGCE CC(C)(C)OC(=O)N1CCOC[C@@H]1CCCc1ccc(N)cc1 1952925292 ODBJRTBFBHMYTL-INIZCTEOSA-N 320.433 3.227 10 10 DGCE CC[C@H](N[C@@H]1C[C@@H]1CNC(=O)OC(C)(C)C)c1ccccc1O 1973247962 KCXWNTAJJLGMIG-VHDGCEQUSA-N 320.433 3.346 10 10 DGCE C[C@H](F)[C@@H]1CCCN1Cc1cccc(Br)c1O 2010592257 UZUOPNBCUQLNRI-CABZTGNLSA-N 302.187 3.477 10 10 DGCE Nc1ccc(COc2ncnc(Cl)c2Br)cc1 2012669321 XMJDTTQQXQJIFQ-UHFFFAOYSA-N 314.570 3.054 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@@H](F)C[C@@H](F)C2)cc1Br 2062395796 CYFZIGGNVLXEJJ-BBBLOLIVSA-N 320.177 3.389 10 10 DGCE C[C@H](N)c1cc(F)c(N2CCC(=CBr)C2)c(F)c1 2074227058 UCYPZBUAAZHURE-QMMMGPOBSA-N 317.177 3.473 10 10 DGCE CCc1nc(Br)cc(N(C)Cc2ccc(N)cc2)n1 2106514633 FWHDNVSQZNUOTP-UHFFFAOYSA-N 321.222 3.020 10 10 DGCE Cc1ccc(Br)c(CNCc2cccc(C)c2O)n1 2112735987 HIUKTIMUVZHJDX-UHFFFAOYSA-N 321.218 3.456 10 10 DGCE CCN[C@@]1(CO)C[C@H](Sc2nccs2)CC(C)(C)C1 2127165837 RBGUMZGFPDXILV-RISCZKNCSA-N 300.493 3.155 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)c2cc(Cl)nnc2Cl)CC1 2155551955 NIOQGGYUIGXAPW-SSDOTTSWSA-N 315.164 3.088 10 10 DGCE O=C(O)C1CC2(CCN2Cc2cc(Cl)cc(Cl)c2O)C1 2160909508 OUILLGUXDRJHSY-UHFFFAOYSA-N 316.184 3.138 10 10 DGCE CN[C@H](c1ccc2c(c1)CCN2C)[C@H]1SCCS[C@@H]1C 2163078157 GYBBRCKEAIUBTR-LYRGGWFBSA-N 308.516 3.177 10 10 DGCE COCCN(c1ccc([C@H](C)N)cc1Cl)[C@H]1CCSC1 2170139912 MIXBIAXTGNBDSM-AAEUAGOBSA-N 314.882 3.318 10 10 DGCE CN=c1[nH]c(N(C)Cc2ccccc2O)c(Cl)cc1Cl 2192604278 IXTKRGVYDLDDIY-UHFFFAOYSA-N 312.200 3.194 10 10 DGCE Oc1cc(Br)ccc1CN[C@H]1CC2C[C@@H]3C1[C@@H]3C2 2253519680 KLFKVHVNMALELR-JYVZDMQKSA-N 308.219 3.289 10 10 DGCE COc1cc(C=C2SC(=S)N(C)C2=O)ccc1OC(C)C 2297356984 SWONTRKZESPSSW-UHFFFAOYSA-N 323.439 3.313 10 10 DGCE CSc1ccc(CNC(=O)C=Cc2ccc(O)c(O)c2)cc1 2307996839 YYKXMYOSUMZMNR-UHFFFAOYSA-N 315.394 3.149 10 10 DGCE CN(c1ccc(CN)c(Br)c1F)[C@H]1CC[C@@H]2C[C@H]12 2309071980 FAUDHFRUJUOWSU-MIMYLULJSA-N 313.214 3.282 10 10 DGCE CN[C@@H](C)c1ccc(N2C[C@@H](F)[C@H](F)C2)cc1Br 2309380237 WDCVUAITJUAKNB-ZEGGKSINSA-N 319.193 3.226 10 10 DGCE O=C1C(=Cc2cocn2)SC(=S)N1c1ccc(F)cc1 2311527208 GESLKDZPGFIENQ-UHFFFAOYSA-N 306.343 3.220 10 10 DGCE Cc1cc(Br)c(CN2CC[C@@H](CN=[N+]=[N-])C2)cn1 2316115389 ZZFYIHDOJHMUTI-JTQLQIEISA-N 310.199 3.285 10 10 DGCE CNCc1ccc(N(C)C[C@H]2C[C@@H](F)C2)cc1Br 2327459395 RLSAQDHMYHOISV-KLPPZKSPSA-N 315.230 3.353 10 10 DGCE CCOc1cc(C=C2C(=O)N(CC(C)C)N=C2CC)ccc1O 2332094920 VOJOHCNURRXXRN-UHFFFAOYSA-N 316.401 3.439 10 10 DGCE C[C@@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC(=O)C2=O 2333059787 HZDYOVALJZGFJH-KUIZZCKGSA-N 302.414 3.058 10 10 DGCE CN(C[C@H]1COCC1(C)C)c1cc(Cl)c(CN)cc1F 2364432014 HEKCTCYTXAUKFL-NSHDSACASA-N 300.805 3.047 10 10 DGCE N#CC1(C#N)C(c2ccc(OCc3ccccc3)cc2)C1(C#N)C#N 6927448 YVZKXAJRYVMARI-UHFFFAOYSA-N 324.343 3.430 10 10 DGCE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC2(CCC2)C1 157879156 BZCVTDRSSCFAER-UHFFFAOYSA-N 309.369 3.267 10 10 DGCE CCN(CC)c1ccc(CNC(=O)N2CCS[C@H](C)C2)cc1 171742224 MQARIDAJHBWTBG-CQSZACIVSA-N 321.490 3.180 10 10 DGCE COc1cccc(CNC(=O)C/C=C/c2ccccc2F)c1O 176149467 ZWUHDOIUFBRNFU-FNORWQNLSA-N 315.344 3.260 10 10 DGCE C[C@H](NCc1cn(C)nc1C(F)(F)F)c1ccc(F)cc1O 186151653 RGTCKUKYDJLENJ-QMMMGPOBSA-N 317.286 3.134 10 10 DGCE CCN(CC)c1ccc(CN[C@H]2CCN(C)[C@@H](C)C2)cc1F 246069865 DWQDAIPIKVNASQ-HOCLYGCPSA-N 307.457 3.244 10 10 DGCE CC(C)NCc1ccc(N2C[C@@H]3CC[C@H](O)[C@H]3C2)c(Cl)c1 252881724 TWRLUBYMBBNMLH-ZQIUZPCESA-N 308.853 3.045 10 10 DGCE Cc1nsc(N(C)Cc2ccc(N3CCCCC3)cc2)n1 301382187 ZWEVZCJOAVTPDV-UHFFFAOYSA-N 302.447 3.473 10 10 DGCE CCOCCCN(C)c1ccc([C@@H](C)N)c(Br)c1 382802313 TXBBFHLZGPZEQS-LLVKDONJSA-N 315.255 3.332 10 10 DGCE CCO[C@H]1CCN(c2ccc([C@H](C)N)c(Br)c2)C1 701700386 OKMVGDNZKQQBFO-JQWIXIFHSA-N 313.239 3.084 10 10 DGCE C[C@@H]1CN(Cc2cc(Br)cc(F)c2O)C[C@H]1C 715701687 GZQPESGZXDQUEO-RKDXNWHRSA-N 302.187 3.382 10 10 DGCE C[C@@H]1C[C@H](N(C)Cc2ccc(Br)cc2O)CCO1 721482195 RELRVZSIKSYTOL-ZWNOBZJWSA-N 314.223 3.154 10 10 DGCE O=C(O)[C@H](O)c1ccc2c(O)c(SC(F)(F)F)sc2c1 725308116 HIUYSNMHZPRJDT-SSDOTTSWSA-N 324.301 3.337 10 10 DGCE CCC[C@@H](C)N(C)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] 733187210 LWNHXYIWIWLMCE-VPUINMBXSA-N 306.362 3.406 10 10 DGCE CN(Cc1cc(-n2ccnc2)cs1)c1ccc2c(c1)OCO2 753569217 GMHKVOYNSQLQQA-UHFFFAOYSA-N 313.382 3.299 10 10 DGCE O=C(O)[C@H](NCc1ccc2c(c1)CCO2)c1ccc(Cl)cc1 756334033 WTZFROMEWZBNPD-MRXNPFEDSA-N 317.772 3.190 10 10 DGCE Oc1c(F)cc(Cl)cc1CN1CCC[C@@H]([C@@H]2CCOC2)C1 775740319 UOZUCRCNKUMEIE-VXGBXAGGSA-N 313.800 3.433 10 10 DGCE Cc1cc(Cl)cc(CN[C@@H](CO)Cc2ccc(F)cc2)c1O 776252393 SVXYQIHPFXSGCA-MRXNPFEDSA-N 323.795 3.186 10 10 DGCE CO[C@H](CCNCc1cc(Cl)cc(F)c1O)C(F)(F)F 787416470 DRMBUEPBDAQDTD-SNVBAGLBSA-N 315.694 3.242 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCOC1(C)C 823750403 ORKQLYCSAKLIQF-HNNXBMFYSA-N 320.433 3.129 10 10 DGCE CC[C@H]1C[C@H](NCc2ccc(Br)cc2O)CCO1 826130729 LWQALGGVNSRJCB-OLZOCXBDSA-N 314.223 3.202 10 10 DGCE Cc1cc(O)c(CN2CCCN(CC(F)F)CC2)c(Cl)c1 840948703 JNVDIZOFSBMGOS-UHFFFAOYSA-N 318.795 3.127 10 10 DGCE CCN(CC)c1ccc(CN2CCCC[C@H]2[C@H]2CCNC2)cc1 841086249 GPMAUTXMAXRQBB-ICSRJNTNSA-N 315.505 3.497 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@H](C)Cc2ccn(C(C)C)n2)c1 845973093 XAYNPNWYUCMRFI-KGLIPLIRSA-N 317.433 3.460 10 10 DGCE CC[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1O)[C@H]1CCCCO1 848567908 SLJGDGWLBLJDSX-HZUKXOBISA-N 308.378 3.299 10 10 DGCE C[C@H](N[C@@H]1C[C@H](C)n2ncnc21)c1ccc2ccccc2c1O 850498775 DAIZTWWHEIAHKX-MQIPJXDCSA-N 308.385 3.494 10 10 DGCE Cc1ccncc1CCNCc1cc(F)c(N(C)C)cc1F 858188898 WZQFKBRYGUNGJK-UHFFFAOYSA-N 305.372 3.067 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@H]2CC23CC3)cc1 862035690 CJYGIIQYAAWFRO-SFHVURJKSA-N 322.408 3.118 10 10 DGCE C[C@@H](NC(=O)C[C@@H]1CCC2(CCC2)O1)c1ccc(N(C)C)cc1 890030505 FPVREPFJURGDAH-PBHICJAKSA-N 316.445 3.422 10 10 DGCE COC(=O)c1cc(CN(C)Cc2ccccc2O)[nH]c1C(C)C 893962664 QZYMYNAUESXDKT-UHFFFAOYSA-N 316.401 3.262 10 10 DGCE O=S(=O)(/C=C/c1ccc(Cl)cc1)Nc1ccc(O)cc1 916106469 LUTFIJDHXGQEPB-MDZDMXLPSA-N 309.774 3.458 10 10 DGCE c1cc(CNCc2ccc3c(c2)CCCO3)c2c(c1)COCC2 922309606 WVNHAGILRNZHLI-UHFFFAOYSA-N 309.409 3.374 10 10 DGCE C[C@]1(NCc2cc([N+](=O)[O-])ccc2O)CCOc2ccccc21 923024841 INWYZOHBGWGXCH-KRWDZBQOSA-N 314.341 3.088 10 10 DGCE CCC(F)(F)C(C)(C)CNC(=O)NCc1c(O)cccc1F 923426318 RVYXNFMNCVWBBB-UHFFFAOYSA-N 318.339 3.402 10 10 DGCE Cc1ccc(C(=O)NC[C@H]2CCCc3ccccc32)c(O)c1O 1136167533 SXPSFWJHTCTQDY-CQSZACIVSA-N 311.381 3.256 10 10 DGCE O=Cc1ccc(/C=C/C(=O)NCc2cccc(Cl)c2O)cc1 1159041288 GZGQSNUBHNMOBP-CMDGGOBGSA-N 315.756 3.188 10 10 DGCE COc1ccc(Br)c(CN2CCC[C@H]2C)c1O 1231548218 PYYMBOCQIPNJTJ-SECBINFHSA-N 300.196 3.148 10 10 DGCE CCCCN(CCN1C[C@H](C)O[C@H](C)C1)Cc1ccccc1O 1307722775 ZPXBPTJHYNWYFM-CALCHBBNSA-N 320.477 3.104 10 10 DGCE Cc1cc(C(=O)N[C@@H](C)c2ccccc2O)c2c(C)noc2n1 1454813792 DKHJVMKJKBMJGV-JTQLQIEISA-N 311.341 3.036 10 10 DGCE COc1ccc(N(C)Cc2ccc([N+](=O)[O-])cc2OC)cc1 1460334035 FWSXOPDLJUKWBP-UHFFFAOYSA-N 302.330 3.248 10 10 DGCE O=C(NCc1cc(O)ccc1O)c1ccc(C(F)(F)F)s1 1471661047 FQOJJXXNEKCKFL-UHFFFAOYSA-N 317.288 3.108 10 10 DGCE CCc1ncsc1C(=O)NCc1c(O)ccc2ccccc12 1472084695 BZJIIPXDRFMNGP-UHFFFAOYSA-N 312.394 3.494 10 10 DGCE CCCC[C@@H](O)CCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 1556260972 WPZQQFJDNCTPAT-WMLDXEAASA-N 306.450 3.261 10 10 DGCE Cc1ccc(C(=O)Nc2cn[nH]c2)cc1-n1c(C)cc(C=O)c1C 1642784776 SOZHNIYLVDGIEG-UHFFFAOYSA-N 322.368 3.190 10 10 DGCE O=C(CSc1nc2ccc(F)cc2o1)c1ccc(O)c(O)c1 1644244865 SSWDDMIVDPPRAY-UHFFFAOYSA-N 319.313 3.353 10 10 DGCE O=C(c1cnc2ccc(F)cc2c1)N1Cc2cccc(O)c2C1 1650674491 FHZXBDZWDBIKIG-UHFFFAOYSA-N 308.312 3.236 10 10 DGCE COc1ccc(N(CC(=O)Nc2ccccn2)CC(C)C)cc1 1654766812 BKEUVTASEZTJQR-UHFFFAOYSA-N 313.401 3.191 10 10 DGCE COC(=O)c1cc(OCc2cc(C)cc(C)n2)ccc1N(C)C 1656826206 RPLKBCMQBRGXQN-UHFFFAOYSA-N 314.385 3.130 10 10 DGCE C/C=C(\C)C(=O)NC[C@H](NCc1ccc(OC)c(C)c1)C(C)C 1715540078 TXTCYDGLUOVDGD-VRXKTSEUSA-N 318.461 3.200 10 10 DGCE COc1ccc(C2=NN(C)C(=O)/C2=C/c2ccc(F)cc2)cc1 1865677303 CKTAVQZDQOUNNG-LFIBNONCSA-N 310.328 3.094 10 10 DGCE Cc1nc(N(C)[C@H](C)c2ccccc2O)ncc1Br 1877533276 QOWCIKNSVIAXFA-SNVBAGLBSA-N 322.206 3.451 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H](CC1CC1)[C@H](N)c1ccccc1O 1936967994 MMMBENYOZVXBPW-CJNGLKHVSA-N 320.433 3.333 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2([C@@H](N)c2ccccc2O)C1 1938392334 FVXDIAZFRPAOII-XLWVJDPXSA-N 318.417 3.039 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(N)cc2)[C@@H](F)C1 1959367442 OHVXMDNFHSTFLE-UONOGXRCSA-N 309.385 3.028 10 10 DGCE CC(C)(C)OC(=O)NC[C@@](C)(Nc1ccc(N)cc1)C1CC1 1959377601 QFDXMQNKQCJXFO-QGZVFWFLSA-N 305.422 3.374 10 10 DGCE C[C@@H]1CN(CCCCN=[N+]=[N-])CC[C@H]1NC(=O)OC(C)(C)C 1962302166 YGQLBOGPMOEKCG-CHWSQXEVSA-N 311.430 3.312 10 10 DGCE Cc1cccc(CNCc2csc(C(F)(F)F)n2)c1O 1973054313 LXIPZCFGGFPMLH-UHFFFAOYSA-N 302.321 3.466 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]([C@H](N)c2ccccc2O)CC1(C)C 1977520032 SUCKOPGYERNHCS-DOMZBBRYSA-N 320.433 3.428 10 10 DGCE Cc1cccc(N)c1N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1F 1977665800 DJOMEXFRUAHSTG-GXTWGEPZSA-N 323.412 3.337 10 10 DGCE CC(C)[C@H](O)CN(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 1977928187 CZQZJJLHJVJPKS-MRXNPFEDSA-N 322.449 3.164 10 10 DGCE CCN1CCc2cc([C@](C)(N)COCc3ccccc3)ccc21 1977957978 KDFREZMZRPELHA-HXUWFJFHSA-N 310.441 3.460 10 10 DGCE C[C@H](O)CN(Cc1ccccc1)c1c(F)cc([C@H](C)N)cc1F 1990441550 BSZBBBBTWUANIL-STQMWFEESA-N 320.383 3.372 10 10 DGCE CC[C@@H](CN(C)c1ccc([C@H](C)N)cc1Br)OC 2068255422 UZBVQPGLISVRGL-JQWIXIFHSA-N 315.255 3.330 10 10 DGCE COc1cccc(O)c1[C@H](C)n1nc(CC(C)C)cc1C(=O)O 2069892851 UXTLTWPRJUQJEC-NSHDSACASA-N 318.373 3.103 10 10 DGCE CCc1nn([C@@H](C)c2cc(C)c(C)cc2O)c(Cl)c1C(N)=O 2079943981 KAOXFIGNPHIACE-JTQLQIEISA-N 321.808 3.130 10 10 DGCE Oc1c(Br)cccc1CNCc1coc(C2CC2)n1 2104289249 RNTRTNVCHNDFGG-UHFFFAOYSA-N 323.190 3.310 10 10 DGCE Cc1cccc(CNC(=O)c2nc(Cl)sc2Cl)c1O 2139765938 ZMKOPRLTIFLWTR-UHFFFAOYSA-N 317.197 3.394 10 10 DGCE C[C@@H]1CCOCC[C@@H]1N(C)c1cc(Cl)c(CN)cc1F 2177383425 MPNFTIWKFHXFJB-YGRLFVJLSA-N 300.805 3.189 10 10 DGCE CCCOC[C@H]1CCN(c2cc(Cl)c(CN)cc2F)C1 2177389454 RGEXVVPRLDKJQO-NSHDSACASA-N 300.805 3.191 10 10 DGCE F[C@H]1CN(c2ccc(CNC3CCC3)cc2Cl)C[C@@H]1F 2239998172 CQKJZNGSYCYLSN-KBPBESRZSA-N 300.780 3.478 10 10 DGCE CSc1ncc(CNC(=O)c2cc(O)cc(Cl)c2)s1 2269121009 JMXOJYUCBLJVHE-UHFFFAOYSA-N 314.819 3.154 10 10 DGCE Oc1ccc(Cl)cc1CN1CCC[C@H](OCC(F)F)C1 2279274688 IKOUKYMGTWBARI-LBPRGKRZSA-N 305.752 3.292 10 10 DGCE Cc1ccc(CN[C@H]2CCCSC2)c(O)c1Br 2307476856 GBNQVSHCEKDCGB-NSHDSACASA-N 316.264 3.448 10 10 DGCE COc1c(C)ccc(NC(=O)C=Cc2ccc(O)c(O)c2)c1C 2307990487 RWQIAQJMJRTFIX-UHFFFAOYSA-N 313.353 3.375 10 10 DGCE Oc1c(Br)cccc1CN[C@@H]1C[C@@H]2C[C@H]1[C@@H]1C[C@@H]21 2309575805 STXFJXPGWGOLOX-BYNIDDHOSA-N 308.219 3.289 10 10 DGCE CN(c1ccc(CN)c(Br)c1)[C@@H]1C[C@@H]2C[C@H]1[C@@H]1C[C@H]21 2330298791 IPAANTUIOIJFNU-OIUQYKKBSA-N 321.262 3.389 10 10 DGCE CC1=NN(Cc2ccc(C)cc2)C(=O)C1=Cc1ccc(O)cc1O 2332095872 APMMSVMAIYXZSJ-UHFFFAOYSA-N 322.364 3.208 10 10 DGCE CCN1N=C(c2ccc(OC)cc2)C(=Cc2cccc(F)c2)C1=O 2332140940 YQGVLBYZEXTMQJ-UHFFFAOYSA-N 324.355 3.484 10 10 DGCE Cc1ccc(CN(C)C(=O)C2CC=CC2)c(O)c1Br 2352653948 FEGRESZSBOITOA-UHFFFAOYSA-N 324.218 3.388 10 10 DGCE Cc1ccc(CNC[C@H]2C3C[C@@H]4C2[C@@H]4C3)c(O)c1Br 2352675059 BSSUBEWFCDVEHT-NSTUHTFISA-N 322.246 3.455 10 10 DGCE Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1ccccc1N 6859024 SPXZELRZSRBMAH-UHFFFAOYSA-N 320.414 3.207 10 10 DGCE Cn1cc([C@H]2CCN(Cc3c(O)ccc4ccccc34)C2)cn1 116257588 BMIAGMRISVSWAU-HNNXBMFYSA-N 307.397 3.268 10 10 DGCE COC1CCN(c2ccc([C@@H](C)N)cc2Br)CC1 61695039 RKBWHGIMGKYIDO-SNVBAGLBSA-N 313.239 3.084 10 10 DGCE CCOc1ccc(O)c(CN[C@@H](C)c2ccncc2OC)c1 189559610 RTAWWCSSUHVIEV-LBPRGKRZSA-N 302.374 3.045 10 10 DGCE COc1ccc([C@@H](CN)N(Cc2ccccc2)C(C)C)c(O)c1 32071208 BKXMPYYBNXALOF-GOSISDBHSA-N 314.429 3.311 10 10 DGCE COC(=O)[C@@H](NCCN=[N+]=[N-])c1ccc(Cl)c(Cl)c1C 2366032089 OMDVHTFBBZJPFF-NSHDSACASA-N 317.176 3.416 10 10 DGCE CCCC[C@]1(C)CN(CCCO)c2cc3c(cc2N1)OCCO3 75280900 WZSPPHFEYZEMMX-GOSISDBHSA-N 320.433 3.021 10 10 DGCE O=C(O)[C@@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1O 86729853 ABRVQHIPVOTENS-NSHDSACASA-N 304.173 3.138 10 10 DGCE CCOC(=O)c1ccc(NCc2cc([N+](=O)[O-])ccc2O)cc1 191840541 KRZWJXAYIATKLG-UHFFFAOYSA-N 316.313 3.089 10 10 DGCE CSc1ncc(Cn2cncc2[C@]2(C)CCCCN2)s1 2367231242 YPMSWGBNMMEBEO-AWEZNQCLSA-N 308.476 3.099 10 10 DGCE C[C@@H](CCN[C@@H](C)c1ccc(O)cc1O)NC(=O)OC(C)(C)C 227670228 FFUDPZPLOCEIAN-RYUDHWBXSA-N 324.421 3.052 10 10 DGCE C[C@H](NS(=O)(=O)Cc1ccc(N)cc1)c1ccc(Cl)cc1 40322716 PVSWXFRUPXXWRC-NSHDSACASA-N 324.833 3.103 10 10 DGCE CC(=O)N(C(=O)N1CCCc2ccccc21)c1ccc(N)cc1 243320216 LMWIABSTOKNQSX-UHFFFAOYSA-N 309.369 3.195 10 10 DGCE CCN(CCO)C(=S)N(c1ccccc1)c1ccc(N)cc1 244425377 YVZBFHCVFDFCOT-UHFFFAOYSA-N 315.442 3.006 10 10 DGCE CN[C@H](C)CNC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C 261843935 WQBCNDDFABWTEQ-LLVKDONJSA-N 319.836 3.085 10 10 DGCE O=[N+]([O-])c1ccc(NCc2cc(Br)ccc2O)cn1 804827038 JYQZUVWBFCQFSH-UHFFFAOYSA-N 324.134 3.070 10 10 DGCE CN(C)[C@@H](CNCc1cc(Cl)c(F)cc1O)c1ccco1 293795222 BPVBEKGXXNSLQK-ZDUSSCGKSA-N 312.772 3.170 10 10 DGCE Cn1ncc(COc2ccc(N3CCCCC3)c(Cl)c2)n1 817381650 IGQRGTDMQLLTJN-UHFFFAOYSA-N 306.797 3.038 10 10 DGCE COc1c([N+](=O)[O-])ccc(CNC2CC(C(C)(C)C)C2)c1O 816641653 AWXIZFKYCQDJEL-UHFFFAOYSA-N 308.378 3.223 10 10 DGCE CN(C)c1ccc(CN(C(=O)NCCCCF)C2CC2)cc1 813219500 BCVKCXMVESJXPH-UHFFFAOYSA-N 307.413 3.176 10 10 DGCE Oc1ccc2c(c1CN=c1cc[nH]c3cccnc13)CCCC2 814854277 HHXNCCOJUIZBMO-UHFFFAOYSA-N 305.381 3.248 10 10 DGCE CN(Cc1ccccc1O)c1nc(Cl)nc2c1COC2(C)C 827829088 JCDPHBBPVYJSAP-UHFFFAOYSA-N 319.792 3.237 10 10 DGCE CCc1cc(CN(CC)CC(=O)OC)c(O)c(C(C)(C)C)c1 728709522 YGHSMRNLEWKTBS-UHFFFAOYSA-N 307.434 3.247 10 10 DGCE Cc1ccc(O)c([C@@H](C)N[C@@H](CCN(C)C)c2cccnc2)c1 903378469 CJPAQOLGAMFNJI-QAPCUYQASA-N 313.445 3.439 10 10 DGCE COc1cccc([C@H]2C[C@@H]2C(=O)NCc2ccc(N(C)C)cc2)c1 730162379 RYLPCGRIKRRSOW-MOPGFXCFSA-N 324.424 3.181 10 10 DGCE CSCCCC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C 839918477 MHLUCANTXPGYBF-CQSZACIVSA-N 308.491 3.251 10 10 DGCE O=C(NCc1cccc(Br)c1O)[C@@H]1CCC[C@H]2C[C@H]21 834475815 DZGUQJMTOMLCQP-MVWJERBFSA-N 324.218 3.207 10 10 DGCE CC[C@H](N[C@H]1C[C@@H](C(N)=O)C1)c1cc(Cl)cc(Cl)c1O 846193763 OGECOPJYRJZFKC-VMAXQDLPSA-N 317.216 3.004 10 10 DGCE COc1cc(CN2CC[C@H]3COC[C@H]3C2)c(O)c(C(C)(C)C)c1 853585923 LJTKOXVMFMVIIE-DZGCQCFKSA-N 319.445 3.167 10 10 DGCE CCn1ccc(NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)n1 855561051 QWXXFPVPMGLKJY-UHFFFAOYSA-N 322.412 3.492 10 10 DGCE CN1CCCc2cc(CNC(=O)N[C@H]3CC34CCCC4)ccc21 758544235 IPPXJAIWUWKIFE-KRWDZBQOSA-N 313.445 3.201 10 10 DGCE CCN(CC)c1ccc(CNCc2cn(C3CCC3)nn2)cc1 850034872 SNHRUGRTTSOFAS-UHFFFAOYSA-N 313.449 3.139 10 10 DGCE CC[C@H](NCCC[C@H]1CCOC1=O)c1cc(Cl)ccc1O 872112894 LQJFAVNQJDQHGC-FZMZJTMJSA-N 311.809 3.430 10 10 DGCE COc1cc(N2CC[C@H]3CC[C@@H](C2)S3)c([N+](=O)[O-])cc1OC 1118810494 JAYLFZARRAKMRT-MNOVXSKESA-N 324.402 3.086 10 10 DGCE O=C(c1ccc(CN2CCCC2)cc1)N1Cc2cccc(O)c2C1 871197927 ABZMPQMXUADMNR-UHFFFAOYSA-N 322.408 3.144 10 10 DGCE CCCN(Cc1ccccc1O)c1ncncc1Br 770467375 ALCXXCZLMAZUBU-UHFFFAOYSA-N 322.206 3.361 10 10 DGCE C[C@H](NC(=O)NC[C@@H]1CCC(C)(C)O1)c1ccc(N(C)C)cc1 777637167 HAAFAIJASFRGCM-BBRMVZONSA-N 319.449 3.070 10 10 DGCE C[C@@H](N[C@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1)c1ccccc1O 1168826165 XABWROMBTCSVEX-MCIONIFRSA-N 320.433 3.441 10 10 DGCE O=C(Nc1cccc(O)c1)c1cc2cc(O)c(O)cc2s1 1135562968 AVMNRKYLFDNOJO-UHFFFAOYSA-N 301.323 3.270 10 10 DGCE C[C@@H](NC(=O)c1oc2ccccc2c1CO)c1ccccc1O 1302532578 JRUSYHCLWQQPOQ-LLVKDONJSA-N 311.337 3.122 10 10 DGCE C[C@@H](O)CN(C(=O)OC(C)(C)C)[C@H](C)c1ccc(F)cc1O 1887511740 AAPRZDMNJODRPT-GHMZBOCLSA-N 313.369 3.210 10 10 DGCE CC[C@H](c1cc(Br)ccc1O)N1C[C@@H](N)C[C@H]1C 702642873 HJBIJQRTYOMDAO-SUZMYJTESA-N 313.239 3.027 10 10 DGCE COc1ccc2c(c1)c1c(n2CC(=O)N2CC=CCC2)CCCC1 1435691212 MZZJOBKUDSVJHP-UHFFFAOYSA-N 324.424 3.317 10 10 DGCE COC[C@H](C)[C@@H](C)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1352616038 WLSBHNUUIDOGRM-JKSUJKDBSA-N 318.461 3.164 10 10 DGCE C[C@H](C(=O)NCc1ccc2cccnc2c1O)c1ccccc1F 1469249029 LHGXCISJDQPWFK-LBPRGKRZSA-N 324.355 3.499 10 10 DGCE C/C(=C\C(C)(C)C)C(=O)N1CCOc2cc(N(C)C)ccc21 1532654966 HFWQRDZTUHXLGZ-OUKQBFOZSA-N 302.418 3.470 10 10 DGCE CCCONC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C 1627512111 WPVOWXPBDLIPCN-UHFFFAOYSA-N 302.374 3.174 10 10 DGCE COCCNCc1ccc(N2CCCCC2)c(OC(C)C)c1 212156115 ZLPPPPZIPVBPCJ-UHFFFAOYSA-N 306.450 3.200 10 10 DGCE CN1C(=O)/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)SC1=S 1189403 COHSHASOWICZRH-UITAMQMPSA-N 314.775 3.079 10 10 DGCE C/C(=C\c1ccco1)C(=O)NCc1ccc2cccnc2c1O 1639624597 BOEQRLQDIDOAOQ-ZRDIBKRKSA-N 308.337 3.253 10 10 DGCE C[C@@H](NC(=O)c1cnc2cc(O)ccc2c1)c1ccccc1O 1635799187 SLBKTXWOJADGSI-LLVKDONJSA-N 308.337 3.137 10 10 DGCE COc1ccc(F)c(OC)c1C(=O)N[C@@H](C)c1ccccc1O 1642830200 ALKQDIWGUHMPNV-JTQLQIEISA-N 319.332 3.040 10 10 DGCE C[C@H](NC(=O)Cc1cc(-c2ccccc2)on1)c1ccccc1O 1643742139 PZTFTSRBPWLSJP-ZDUSSCGKSA-N 322.364 3.467 10 10 DGCE C[C@H](NC(=O)c1ccc(OC(C)(C)C)cn1)c1ccccc1O 1648892364 XKWBDDZQSZOJJU-LBPRGKRZSA-N 314.385 3.456 10 10 DGCE C[C@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1O 1642827364 FTWMDBNKNDNUTF-KGTBHZDVSA-N 312.325 3.191 10 10 DGCE C[C@H](N[C@H](CCO)COCc1ccccc1)c1ccccc1O 1902794068 FJQCUWPPCDWOSL-DOTOQJQBSA-N 315.413 3.011 10 10 DGCE CN[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccccc1O 1936969402 CDAYBWSWXPIRTI-UKRRQHHQSA-N 320.433 3.442 10 10 DGCE Oc1cccc(Br)c1CN1C[C@H]2CC[C@@]1(F)C2 1943055572 YOBWKXIMHDLMFX-ZANVPECISA-N 300.171 3.436 10 10 DGCE CC[C@@](O)(c1ccc(N(C)C)cc1)[C@@H](C)NC(=O)OC(C)(C)C 1977957124 CIKUZWNSOGYCOS-ACJLOTCBSA-N 322.449 3.263 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@](N)(c2ccccc2O)C12CCC2 1983647496 YMIKISHMLHMYSS-GOSISDBHSA-N 318.417 3.110 10 10 DGCE CN[C@@H]1CCc2cc(N(Cc3ccccc3)C[C@@H](C)O)ccc21 1986605727 CPOLJBFUNCDJJE-FOIQADDNSA-N 310.441 3.281 10 10 DGCE NCc1ccc(N2CC[C@H]2CC2CC2)c(F)c1Br 2036521710 WSTWKAZWBGRFDL-NSHDSACASA-N 313.214 3.426 10 10 DGCE CSc1nnc(Sc2ncc(CNC3CC3)s2)s1 2037790998 RCQUPHOFIYMAII-UHFFFAOYSA-N 316.502 3.120 10 10 DGCE C[C@@]12CC[C@H]1CCN2c1ccc(CN)c(Br)c1F 2039542527 CMJWUYXYOFRLKH-IINYFYTJSA-N 313.214 3.426 10 10 DGCE CS[C@@H]1CC[C@@H]1NCc1cccc(Br)c1O 309900544 HLJIZCHEVKWTRN-WDEREUQCSA-N 302.237 3.138 10 10 DGCE COc1cccc(CNCc2c(O)cccc2Br)c1 706821295 BFYMBNLUNSCOFN-UHFFFAOYSA-N 322.202 3.453 10 10 DGCE C[C@H](c1ccc(F)cc1O)n1cc(C(=O)OC(C)(C)C)cn1 2069976341 HGHDHSMZAUOUAO-SNVBAGLBSA-N 306.337 3.292 10 10 DGCE C[C@H]1CCc2sc(C(=O)NCc3c(O)cccc3O)cc2C1 1456238129 YDRUGFBTHYUSNR-JTQLQIEISA-N 317.410 3.214 10 10 DGCE OCc1ccc(N2CCC[C@H]2C(F)(F)F)cc1Br 2083838924 OITJQLQCYAGWBP-NSHDSACASA-N 324.140 3.473 10 10 DGCE CCCN[C@@](CO)(CCCSc1nccs1)C(C)C 2087811706 KUXNTDARPKLPBF-CQSZACIVSA-N 302.509 3.402 10 10 DGCE CCOC(=O)C1CCC(NCc2cnc(SC)s2)CC1 2208462219 OMTAVLRUPSVXRI-UHFFFAOYSA-N 314.476 3.077 10 10 DGCE C[C@@H](O)c1ccc(N2CC[C@@H]3C[C@]3(F)C2)cc1Br 2222657975 PWAKARYRKJEAPF-RULNRJAQSA-N 314.198 3.441 10 10 DGCE O=C1C(=Cc2ccc[nH]2)SC(=S)N1Cc1ccccc1 2297350583 NPPBOBDSBLDKFN-UHFFFAOYSA-N 300.408 3.416 10 10 DGCE CCc1nc([C@@H](C)NC(=O)C=Cc2ccc(O)c(O)c2)cs1 2308001260 QIZDOBPHOOTVPW-SNVBAGLBSA-N 318.398 3.007 10 10 DGCE Oc1ccc(Br)cc1CN[C@@H]1C[C@@H]2C[C@H]1[C@@H]1C[C@@H]21 2309575656 RNOJMAXUNVQNNH-WBKHQIRZSA-N 308.219 3.289 10 10 DGCE COCC1(N(C)Cc2ccc(C)c(Br)c2O)CC1 2327609308 NEKXSPKVKPQJCH-UHFFFAOYSA-N 314.223 3.074 10 10 DGCE CC(C)(C)C[C@@H]1C[C@H](N)CN(c2ccc3c(c2)OCCO3)C1 108216990 PUIMIKHLGIJTQL-KBPBESRZSA-N 304.434 3.048 10 10 DGCE Cc1ccc(CNCc2ccc(Br)cc2O)cc1O 2344956544 ZPOMIVJVHCZDFS-UHFFFAOYSA-N 322.202 3.459 10 10 DGCE COc1cccc(CN2CCc3[nH]c4ccccc4c3C2)c1O 179849273 QVQRPMJBGXLXHF-UHFFFAOYSA-N 308.381 3.440 10 10 DGCE CCCNCc1ccc(N2CCOC[C@@H](F)C2)cc1Cl 2361808254 KHHLHDSGZMFJMW-ZDUSSCGKSA-N 300.805 3.014 10 10 DGCE CC(C)c1nc2n(n1)CCC[C@H]2N[C@@H](C)c1cc(F)ccc1O 185685063 XGOYGJCEVKYLHE-SMDDNHRTSA-N 318.396 3.432 10 10 DGCE Cc1ccc(C(=O)N2CC=C(c3ccccc3)CC2)c(O)c1O 181772694 KEYGHJOXJKJPHI-UHFFFAOYSA-N 309.365 3.336 10 10 DGCE [N-]=[N+]=NCCCOc1c(Br)cccc1[N+](=O)[O-] 133624487 UZOAJAXJKACKGA-UHFFFAOYSA-N 301.100 3.437 10 10 DGCE Fc1cc(OCc2ccccc2)ccc1N1CCCNCC1 83577043 ICQGTNHSMFQQFZ-UHFFFAOYSA-N 300.377 3.204 10 10 DGCE C[C@H](NCc1ccc2c(c1)CCO2)[C@H](C)NC(=O)OC(C)(C)C 381844991 YVSNKPDZIYIQGH-STQMWFEESA-N 320.433 3.013 10 10 DGCE CC(C)(C)OC(=O)N1CCCCC[C@H]1[C@H]1CCCC(=O)C1=O 230416140 IIGHJVXNGXTEST-OLZOCXBDSA-N 309.406 3.104 10 10 DGCE C[C@H]1CN(c2ccc(N)cc2)C[C@H](C)N1C(=O)OC(C)(C)C 143679118 GSALRQQUCCLTEJ-STQMWFEESA-N 305.422 3.103 10 10 DGCE COc1ccc(O)c([C@@H](C)NC[C@@H]2CCN2C2CCCCC2)c1 527951210 QPKKMVCXFUPZLR-ZBFHGGJFSA-N 318.461 3.458 10 10 DGCE COc1cc(/C=C\C(=O)N(C)Cc2ccccc2O)ccc1F 255136954 KZGCKNSZYVHOAR-NTMALXAHSA-N 315.344 3.212 10 10 DGCE Cc1cncc(/C=C\C(=O)NCc2ccc(N3CCCC3)cc2)c1 255881884 BOQINDQWHWNRQE-TWGQIWQCSA-N 321.424 3.320 10 10 DGCE Cc1cc(Cl)cc(CN2C[C@@H](N3CCCC3)C[C@H]2C)c1O 809704163 WEXZOJCVBYYUMK-CJNGLKHVSA-N 308.853 3.413 10 10 DGCE CO[C@H](C)c1nsc(NCc2ccc(N(C)C)c(F)c2)n1 800848471 PLFJRJAASRMBDC-SECBINFHSA-N 310.398 3.063 10 10 DGCE CC1(C)C[C@@H](C(=O)O)CN1Cc1cc(Cl)cc(Cl)c1O 2162142202 DVYLZTDZRKTEMC-SECBINFHSA-N 318.200 3.384 10 10 DGCE FC(F)Oc1ccc2c(c1)CCCN2Cc1cnn2c1CCC2 825510073 WHUXSMDIAOLYOL-UHFFFAOYSA-N 319.355 3.384 10 10 DGCE C[C@H]1Cc2cccc(C(=O)N(C)Cc3ccc(N(C)C)cc3)c2O1 823709400 QXEAYWKRAMEZCR-AWEZNQCLSA-N 324.424 3.348 10 10 DGCE Cc1ccc(C(=O)N2CCc3sc(Cl)cc3C2)c(O)c1O 843940499 SRXFZMJOPHJGFI-UHFFFAOYSA-N 323.801 3.320 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCCC[C@H]1C1CCC1 844124224 RSKAKEVSMBACTE-WWRUEGTHSA-N 301.386 3.292 10 10 DGCE Oc1ccccc1CN(CC[C@H]1CCCCO1)C[C@H]1CCCO1 754070160 WVQKHSUGRJFTFD-QZTJIDSGSA-N 319.445 3.332 10 10 DGCE CCC1CN(c2ccc(/C=C\C(=O)O)cc2Br)C1 697961501 LAHBLINLQMWSJN-XQRVVYSFSA-N 310.191 3.393 10 10 DGCE COc1ccc([C@@H]2C[C@H]2CC(=O)NCc2ccc(N)cc2)cc1 850711954 UCLSHMCIJIDMLV-YJBOKZPZSA-N 310.397 3.087 10 10 DGCE CCC(O)(CC)C(C)(C)CNC(=O)N[C@@H](C)c1ccccc1O 868765004 HILHVXBOVSSSGT-ZDUSSCGKSA-N 322.449 3.330 10 10 DGCE C/C=C/C[C@@H](NCc1cc(Cl)cc(C)c1O)C(=O)OCC 763361415 KILOWADIHMOZLM-YVARQFDVSA-N 311.809 3.342 10 10 DGCE CC(C)C[C@H]1C[C@H](NC(=O)N[C@@H](C)c2ccccc2O)CCO1 868479851 LKCUIUHFTXQGDW-ZNMIVQPWSA-N 320.433 3.346 10 10 DGCE CCc1noc(C)c1NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 775693023 PXMVEACYOLGPDC-LLVKDONJSA-N 316.405 3.494 10 10 DGCE CC(C)(NCc1cc(Br)cc(F)c1O)C(F)F 883106853 GVHOYIQQJRAURB-UHFFFAOYSA-N 312.129 3.427 10 10 DGCE CC(F)(F)CCNC(=O)c1cc2cc(O)c(O)cc2s1 897870616 VLPFARXSKCDTSW-UHFFFAOYSA-N 301.314 3.088 10 10 DGCE Cc1cc(Br)c(O)c(CN2CC[C@H]2C(F)F)c1 895431196 KYRCXRQSPWTXSC-JTQLQIEISA-N 306.150 3.303 10 10 DGCE O=C(N[C@@H]1CCCC[C@H]1F)c1cc2cc(O)c(O)cc2s1 897975063 AMSJMBAMHWUJCP-NXEZZACHSA-N 309.362 3.323 10 10 DGCE Cc1cc(CNC(=O)c2nccs2)c(C)n1-c1ccccc1 1132268017 RGHFHOZLUHBFNX-UHFFFAOYSA-N 311.410 3.481 10 10 DGCE CC1=C[C@H](C)CN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 797518579 CJMRGILIJRFJLL-DZGCQCFKSA-N 301.434 3.421 10 10 DGCE COc1ccc(CN[C@@H](C)CNC(=O)CCC(C)C)cc1C 1317223442 BTIPXVWIMBVQIN-HNNXBMFYSA-N 306.450 3.034 10 10 DGCE C[C@@H](CN[C@H](C)c1ccc(O)cc1O)N(C)Cc1ccccc1 390528813 KOYVZXISPCEOMY-LSDHHAIUSA-N 314.429 3.269 10 10 DGCE C[C@H](NC(=O)NCc1c(O)cccc1F)[C@@]12CCCC[C@@H]1C2 1234447719 SEJHRCQTHDCKCD-JKDFXYPNSA-N 306.381 3.299 10 10 DGCE CN(CCSCCc1ccc(N)cc1)C(=O)OC(C)(C)C 1891105995 YQXIXXVZYDAXTR-UHFFFAOYSA-N 310.463 3.411 10 10 DGCE O=C(NCc1cc(O)ccc1O)c1cc(Cl)ccc1Cl 1176748326 OXMJQGXETMSRKU-UHFFFAOYSA-N 312.152 3.335 10 10 DGCE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NCc1ccc(F)cc1O 1964576581 YKXLYRJKBINRNI-KDOFPFPSSA-N 314.404 3.141 10 10 DGCE CCOc1ccc(N(CC(=O)N(C)CC2CC2)CC2CC2)cc1 1175371792 MLKGKQZDPNASFE-UHFFFAOYSA-N 316.445 3.170 10 10 DGCE c1cc(N2CCCC2)ccc1CN[C@@H]1CCC[C@]12CCCO2 1334325725 KKYSYRXQJCFKGE-MOPGFXCFSA-N 300.446 3.478 10 10 DGCE COc1cccc(CNC(=O)NC[C@H]2C[C@@H]2C2CCCC2)c1O 1263780179 YDBMNWMQAWWUKK-HUUCEWRRSA-N 318.417 3.026 10 10 DGCE CC(C)c1nnc(NC(=O)c2ccc(N=NC(N)=O)cc2)s1 1291938614 KKSQSSOFTCQOTI-UHFFFAOYSA-N 318.362 3.076 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N(Cc2cccnc2)C2CC2)cc1 1540711643 ZKSWQUIVUVVAOV-UHFFFAOYSA-N 323.356 3.049 10 10 DGCE C[C@H](CN(C)C(=O)Cc1ccc(O)c(O)c1)C1CCCCC1 1631788166 PFCBJEMJWYTIQV-CYBMUJFWSA-N 305.418 3.315 10 10 DGCE O=C(c1ccnc(Cl)c1Cl)N1Cc2cccc(O)c2C1 1636231176 URWIFMJBLDVROK-UHFFFAOYSA-N 309.152 3.250 10 10 DGCE CC(C)(CNC(=O)c1cccc(O)c1O)c1ccccc1Cl 1584677600 UEQJQYDGJRKCIU-UHFFFAOYSA-N 319.788 3.459 10 10 DGCE COc1cc(CN2CCC(CN3CCCC3)CC2)c(O)cc1C 160231786 GXXBGSJRJJFBAQ-UHFFFAOYSA-N 318.461 3.017 10 10 DGCE COc1cc(CN2CCN(c3ccccc3)CC2)c(O)cc1C 159461836 MONCOBFECDLXAP-UHFFFAOYSA-N 312.413 3.031 10 10 DGCE CCCCCCC(=O)NC1CCN(Cc2ccc(N)cc2)CC1 586053632 QSLIXQWJPQRMKJ-UHFFFAOYSA-N 317.477 3.320 10 10 DGCE OCc1ccc(CNCc2cc(Cl)cc(Cl)c2O)cc1 227464489 JRLKOOJVAFJWFE-UHFFFAOYSA-N 312.196 3.481 10 10 DGCE Oc1ccc(Br)cc1CNC1(C(F)(F)F)CC1 229648609 PXAIOFUDLXRLIG-UHFFFAOYSA-N 310.113 3.339 10 10 DGCE CN(C)c1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCCN2)cc1 1951983292 LBHKUPNKSDRCSM-INIZCTEOSA-N 319.449 3.024 10 10 DGCE NCc1ccc(N2CC=C(F)CC2)c(F)c1Br 2005141071 QBKFFQALVKWAED-UHFFFAOYSA-N 303.150 3.110 10 10 DGCE Cc1cccc(CNCCC[C@H](C)NC(=O)OC(C)(C)C)c1O 1971939725 KYTYELOMQLJYOY-AWEZNQCLSA-N 322.449 3.484 10 10 DGCE Oc1ccc(Br)cc1CNC[C@@H]1C(F)(F)C12CC2 1974189066 NITFCJSNCAZURG-NSHDSACASA-N 318.161 3.290 10 10 DGCE CSC[C@H]1C[C@H](NCc2cccc(Br)c2O)C1 1974444619 MHXCBYKGFWOYLB-HOMQSWHASA-N 316.264 3.386 10 10 DGCE C[C@@H](N)c1ccc(N2CC[C@@H]2C(F)F)c(Br)c1 2004456108 LKQKFFHTGMTMAP-RDDDGLTNSA-N 305.166 3.313 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccccc2N)[C@H]2CC[C@@H]21 1983875601 YRGJULCLGXZLQL-INWMFGNUSA-N 317.433 3.469 10 10 DGCE CN(Cc1cc(Cl)cs1)c1cc2c(cc1N)OCCO2 2150394776 DKOQHWVNTVICSI-UHFFFAOYSA-N 310.806 3.391 10 10 DGCE Nc1cccc(Br)c1N[C@@H]1[C@H]2CCC(F)(F)[C@@H]21 2004118725 YTVAMMDGIVTTJA-JMOVZRAMSA-N 303.150 3.487 10 10 DGCE CNCc1ccc(N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)cc1 2015068807 QRRHWVMVXVTHNO-CTNGQTDRSA-N 321.468 3.117 10 10 DGCE NCc1ccc(N2CCC(C(F)F)CC2)c(Br)c1 307876118 XJRMIYJROKJMTI-UHFFFAOYSA-N 319.193 3.389 10 10 DGCE Cc1cccnc1CNCc1ccc(Br)cc1O 691451641 OPOWMLBPDYSXNU-UHFFFAOYSA-N 307.191 3.148 10 10 DGCE CNCc1cc(F)c(N(C)C[C@@H]2CCCCS2)c(F)c1 718332423 JNPRGQZUKJEQPV-LBPRGKRZSA-N 300.418 3.406 10 10 DGCE C[C@H](N)c1ccc(N2C[C@@H](F)C[C@H](F)C2)cc1Br 2062396699 OKGRDGKZACNXRC-GUBZILKMSA-N 319.193 3.355 10 10 DGCE CO[C@@H]1C[C@@H]2C[C@H](Nc3c(N)cccc3Br)[C@@H]2C1 2070342796 HGBODEPEXRMSMT-PRFIWBCESA-N 311.223 3.257 10 10 DGCE CN[C@@H]1CCc2cc(N(C)CC3(Br)CC3)ccc21 2076247268 FHGGBVXGHDBRAC-CQSZACIVSA-N 309.251 3.257 10 10 DGCE CCNCc1ccc(N(C)CC2(F)CC2)cc1Br 2085434891 HDMJNXVFIXRXKR-UHFFFAOYSA-N 315.230 3.497 10 10 DGCE CSc1ncc(CNCc2c(C)nc3sccn23)s1 2269270815 KBHZXKMFGNDNJX-UHFFFAOYSA-N 310.473 3.172 10 10 DGCE CCc1nc([C@H](C)NC(=O)C=Cc2ccc(O)c(O)c2)cs1 2308001259 QIZDOBPHOOTVPW-JTQLQIEISA-N 318.398 3.007 10 10 DGCE CCC[C@@H](CN)N(C)Cc1ccc(C)c(Br)c1O 2327788580 FIYCLLGSWNQWJG-LBPRGKRZSA-N 315.255 3.022 10 10 DGCE CO[C@H]1C[C@H]2C[C@H]1CN2Cc1cc(Cl)cc(Cl)c1O 2340770191 BZBVNXXBMQDWHW-KDDOJWQBSA-N 302.201 3.308 10 10 DGCE CNC(=O)c1cccc2c1N[C@@H](c1cccnc1)[C@@H]1CC=C[C@H]21 14547553 BQTHGZRZHNLOQC-VBQJREDUSA-N 305.381 3.268 10 10 DGCE c1ccc2[nH]c(CCCNCc3ccc4c(c3)CCO4)nc2c1 77325342 JJNCKYRCXXWLNO-UHFFFAOYSA-N 307.397 3.220 10 10 DGCE CN(C)c1ccc(CNC(=O)NC/C=C/c2ccccc2)cc1 112712514 XAGUGDJIOMGIQW-RMKNXTFCSA-N 309.413 3.265 10 10 DGCE O=C(NCc1cc(Br)ccc1O)Nc1ccccc1 139818731 IAESLQFWFANTAK-UHFFFAOYSA-N 321.174 3.476 10 10 DGCE [N-]=[N+]=NCCCNC(=O)c1c(F)cccc1Br 165054729 CWAFRYGNBHZVJK-UHFFFAOYSA-N 301.119 3.018 10 10 DGCE CCc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1ccc(N(C)C)cc1 167772554 CTVDATPNZADUOP-CJNGLKHVSA-N 313.449 3.092 10 10 DGCE CC[C@H](NC[C@@H](C)Cn1ccnc1)c1ccc(N(C)C)cc1 178057054 JGFIOXMSZYMBKY-QAPCUYQASA-N 300.450 3.326 10 10 DGCE COc1cc(N(C)Cc2ccccc2O)cc(OC)c1OC 180758375 AAUBYHQBYLXJSL-UHFFFAOYSA-N 303.358 3.054 10 10 DGCE Cc1ccc(O)c([C@@H](C)N[C@@H](C)c2nnc3n2CCCC3)c1 185585352 JESOZJBJQTTXDF-OLZOCXBDSA-N 300.406 3.040 10 10 DGCE CC(C)c1nnc2n1CCN(Cc1cccc(Cl)c1O)[C@@H]2C 188461002 RRIASNOBOHXSII-LLVKDONJSA-N 320.824 3.337 10 10 DGCE CN(C)c1ccc(CN2C[C@@H](CO)[C@H](c3ccsc3)C2)cc1 190291499 VWQFOJBOABFWHY-WMZOPIPTSA-N 316.470 3.022 10 10 DGCE CN[C@H]1C(=O)Nc2cc(N(C)[C@@H](C)C(C)(C)C)c(Cl)cc21 221198203 VEXDUGJNSQSAKB-LKFCYVNXSA-N 309.841 3.423 10 10 DGCE CS(=O)(=O)c1ccc(Nc2ccc3c(c2)CCCN3)c(F)c1 262506859 MNDIHQOEWXLJGV-UHFFFAOYSA-N 320.389 3.331 10 10 DGCE CCOc1cccc(CN[C@H]2CCCc3nc(O)ccc32)c1O 263647601 CGPLTYUCWGMCDK-AWEZNQCLSA-N 314.385 3.059 10 10 DGCE CCCN(CCC)c1ccc(CN(C)Cc2nncn2C)cc1 290207609 QCQQBGQKEIBOEK-UHFFFAOYSA-N 315.465 3.074 10 10 DGCE c1cc(N2CCCC2)ccc1CNCCCN1CCCCC1 393563005 XROKMGGLQSEEOF-UHFFFAOYSA-N 301.478 3.252 10 10 DGCE CCOCc1cc(CN[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)ccc1OC 527803909 LKOXKICOAVNLGF-COJSNBRMSA-N 307.434 3.133 10 10 DGCE CCS[C@@H]1CCC[C@@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C1 588405159 NKLLVTWWYUKHRX-TXKQXAOOSA-N 321.442 3.292 10 10 DGCE C[C@H]1CCC[C@H](CNCc2cc(Br)ccc2O)O1 688864623 HDFZQCCPRPKNRN-GXFFZTMASA-N 314.223 3.202 10 10 DGCE CCN(CC(=O)Nc1cc(F)cc(F)c1)c1ccc(OC)cc1 746109527 SBDJXUZDEJRVRV-UHFFFAOYSA-N 320.339 3.438 10 10 DGCE COc1ccc(CN[C@@H](C)c2cn(-c3ccccc3)nn2)cc1C 760469953 JJDWBBBBGUCKRB-HNNXBMFYSA-N 322.412 3.435 10 10 DGCE O=C(/C=C\c1ccnc2ccccc12)NCc1ccccc1O 769365682 RFJRVKWCEGRURC-KTKRTIGZSA-N 304.349 3.270 10 10 DGCE COc1ccc(CNc2nc3c(F)cccc3n2C)c(O)c1 798398846 AXGTVFSXMCPTQN-UHFFFAOYSA-N 301.321 3.039 10 10 DGCE C[C@H](N[C@@H]1CNCC[C@@H]1C)c1cccc(C(F)(F)F)c1O 817969028 PQMOSSFGIPUGEW-OUJBWJOFSA-N 302.340 3.060 10 10 DGCE CC(C)OC(=O)[C@@H](C)N(C)C/C=C\c1ccc(N(C)C)cc1 835028169 JMMVZBIKRGXCFF-ZPIQOJFGSA-N 304.434 3.038 10 10 DGCE CN(C)c1ccc(/C=C\CNC[C@@H](O)C2CCCCC2)cc1 835037112 NTXPQSKUAAJISG-LIXSYLKWSA-N 302.462 3.297 10 10 DGCE Oc1ccc2ccncc2c1CN1CCOC[C@@H]1CC1CCC1 840097465 ZNKOCQVNSKPIAO-INIZCTEOSA-N 312.413 3.331 10 10 DGCE Cc1cc(O)c(CNCCCOCC(F)(F)F)c(Cl)c1 840880657 WWSBBAVIXUMCJG-UHFFFAOYSA-N 311.731 3.413 10 10 DGCE C[C@@H](NC[C@@]1(CO)CCc2ccccc21)c1ccc(F)cc1O 846177314 AAKDTNCQUSDXOZ-BFUOFWGJSA-N 315.388 3.058 10 10 DGCE COc1cc(Br)cc([C@@H](C)NCC(C)C)c1O 848515256 WWFKCYZCENFNEG-SECBINFHSA-N 302.212 3.470 10 10 DGCE c1cc(N2CCCC2)ccc1CN[C@H]1CCCN2CCCC[C@@H]12 848575879 XMVZTKJLJUCHBS-PMACEKPBSA-N 313.489 3.393 10 10 DGCE C[C@]1(CNC(=O)NCc2c(O)ccc3c2CCCC3)CC1(F)F 852581403 LZGAHYOQKREYRI-MRXNPFEDSA-N 324.371 3.116 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCC(C2CCC2)CC1 855437801 MVKIDGOWPKGCIA-ALCCZGGFSA-N 301.386 3.150 10 10 DGCE O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NCc1ccc2cccnc2c1O 862029129 RMPFKKCRUIXDPY-DUVNUKRYSA-N 310.397 3.383 10 10 DGCE CC1(C)OCc2c(N3Cc4cccc(O)c4C3)nc(Cl)nc21 866117838 SCPGPXNJKHJQOL-UHFFFAOYSA-N 317.776 3.121 10 10 DGCE COc1ccc(O)c([C@@H](C)NCc2cccc3c2CCOC3)c1 866477720 BCOQLHZSNDGDJI-CYBMUJFWSA-N 313.397 3.324 10 10 DGCE C[C@H](NCc1cccc2c1CCOC2)c1cc(F)ccc1O 866477754 BMPUKVSKOOZOIB-LBPRGKRZSA-N 301.361 3.455 10 10 DGCE Cc1ccc(CO[C@H](C)C(=O)N2Cc3cccc(O)c3C2)cc1 871207151 KKJRBPYFSQEBAA-CQSZACIVSA-N 311.381 3.148 10 10 DGCE COc1cccc(CNC[C@@]2(C)CCOC3(CCC3)C2)c1O 886345213 UUBACHALMHYHDB-KRWDZBQOSA-N 305.418 3.230 10 10 DGCE COC1CCN(c2ccc(CN3CC[C@@H]3C(F)F)cc2)CC1 931425032 DIMGGCOCJUMUOZ-MRXNPFEDSA-N 310.388 3.141 10 10 DGCE COc1ccc(N(C)CCN(C)C[C@H](O)CC2CCCC2)cc1 1171730303 TUJMYZMTXVDGRT-GOSISDBHSA-N 320.477 3.004 10 10 DGCE Cc1[nH]c(-c2ccncc2)nc(=NCc2c(O)cccc2F)c1C 1307214441 DSIKCMJARJIXQA-UHFFFAOYSA-N 324.359 3.034 10 10 DGCE COc1ccc(CNC[C@H](C)N(C)C(=O)CCC2CC2)cc1C 1319435219 AVZOHPQPWJVULQ-HNNXBMFYSA-N 318.461 3.130 10 10 DGCE Cc1cccc(-n2c(C)cc(C(=O)N3CC[C@]34CCOC4)c2C)c1 1327611879 PFHRCWGNGWWLEA-HXUWFJFHSA-N 324.424 3.408 10 10 DGCE COCC1(N(C)Cc2cc(Cl)cc(C(C)=O)c2O)CCC1 1460734522 RDDZCBOQTSPMAI-UHFFFAOYSA-N 311.809 3.249 10 10 DGCE COc1ccc2c(c1)c1c(n2CC(=O)N(C)C(C)C)CCCC1 1525667766 GBNPKLTZEJDMEL-UHFFFAOYSA-N 314.429 3.396 10 10 DGCE CN(C)c1ccc(CNC(=O)c2ccnc(Cl)c2Cl)cc1 1539049405 GZWCUUVKIFYOGB-UHFFFAOYSA-N 324.211 3.384 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H]1c1ccsc1 1540973556 OCGNDTMYVDSSOT-CYBMUJFWSA-N 303.383 3.066 10 10 DGCE C[C@@H](CCCc1ccccc1)C(=O)NCc1cc(O)ccc1O 1593873495 QTZMCKRTWAXFGC-AWEZNQCLSA-N 313.397 3.373 10 10 DGCE CSc1cc(O)ccc1NS(=O)(=O)Cc1cccc(C)c1 1858060601 QFFHBCAHGPZRLF-UHFFFAOYSA-N 323.439 3.364 10 10 DGCE CCOc1cccc(/C=C2/C(=O)N(c3ccccn3)N=C2C)c1 1865669950 ABMLGANIWSGBAB-FOWTUZBSSA-N 307.353 3.286 10 10 DGCE Cc1[nH]c(=N[C@@H](C)c2ccccc2O)c(Br)cc1N 1877588993 UTPLEDYQBFZJPT-QMMMGPOBSA-N 322.206 3.035 10 10 DGCE COc1cc2c(cc1OC)N(Cc1ccccc1)[C@@H](C)C(=O)N2 1902391131 QIXGPWBCSSDROD-LBPRGKRZSA-N 312.369 3.051 10 10 DGCE CO[C@H]1CCN(c2ccc([C@H](C)N)c(Br)c2)[C@H]1C 1914273397 YMJJMWCBXURRMN-BHDSKKPTSA-N 313.239 3.082 10 10 DGCE CO[C@H]1CCN(Cc2c(O)cccc2Br)C1(C)C 1914336114 ZXIGLOUZZNJLJX-ZDUSSCGKSA-N 314.223 3.154 10 10 DGCE Oc1ccc(Cl)cc1CNCc1ncoc1C(F)(F)F 1924959427 UVMBAKRCAWFSDL-UHFFFAOYSA-N 306.671 3.342 10 10 DGCE CC[C@]1(F)CCN(Cc2ccc(Br)cc2O)C1 1925583627 ONDHEKJHONTONS-ZDUSSCGKSA-N 302.187 3.479 10 10 DGCE Oc1cc(Cl)ccc1CN[C@@H]1CCN(Cc2ccccc2)C1 1928564854 VZHJAPBMOLMBBE-QGZVFWFLSA-N 316.832 3.410 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](Nc2ccccc2N)C1 1959367752 QERWAJOWQGVCJO-CHWSQXEVSA-N 305.422 3.374 10 10 DGCE CN(CCCCN=[N+]=[N-])[C@H](CNC(=O)OC(C)(C)C)C1CC1 1962300754 RZGNZBVMFFMRLD-CYBMUJFWSA-N 311.430 3.312 10 10 DGCE C[C@H]1CN(Cc2ccccc2)C[C@@H]1NCc1ccc(F)cc1O 1964576582 YKXLYRJKBINRNI-KSSFIOAISA-N 314.404 3.141 10 10 DGCE CC(C)(C)OC(=O)Nc1ccc(C(=O)NCCN=[N+]=[N-])c(F)c1 1985100865 JZGIWVFJEAGYTC-UHFFFAOYSA-N 323.328 3.213 10 10 DGCE N[C@@H]1CCc2cc(N(Cc3ccccc3)[C@@H]3CCOC3)ccc21 1986610792 UQZRXHWFQWJSBF-UYAOXDASSA-N 308.425 3.428 10 10 DGCE C[C@H](O)c1ccc(N2C[C@@H](F)C[C@@H]2C)c(Br)c1 1997690816 FFRJQMVYIXNGNM-QXEWZRGKSA-N 302.187 3.439 10 10 DGCE COc1ccc([C@H](C)NCC/C=C/Br)c(O)c1 2004057994 DPXGGDSXGXUXSZ-HTZNOQTFSA-N 300.196 3.350 10 10 DGCE Oc1ccc(Br)cc1CN[C@@H](CF)C(F)(F)F 2012893377 AZMNDLINEBIDCS-VIFPVBQESA-N 316.092 3.145 10 10 DGCE Cc1cc(Br)cc(CN(C)CP(C)(C)=O)c1O 2021427790 FXFJAXUKGFTPHA-UHFFFAOYSA-N 320.167 3.475 10 10 DGCE Cc1ccc(C=C2SC(=S)N(c3cccnc3)C2=O)o1 2040445927 AKWLWLXSBLWIHJ-UHFFFAOYSA-N 302.380 3.389 10 10 DGCE CC1(C)CN(c2ccc(CN)c(Br)c2)CC1(F)F 2040578323 YHCDLHDBIIOXMH-UHFFFAOYSA-N 319.193 3.389 10 10 DGCE C[C@H](N)c1ccc(N2CC(F)(C3CC3)C2)cc1Br 2052051665 BHPDOWVOIRJRBA-VIFPVBQESA-N 313.214 3.407 10 10 DGCE C[C@@]1(C(F)F)CCN(c2ccc(CO)cc2Br)C1 2054240383 JSIRVYAZIZHFHJ-CYBMUJFWSA-N 320.177 3.423 10 10 DGCE Cc1ncncc1NCc1cc(Br)cc(F)c1O 2058449353 CRVAUBWFRVEORB-UHFFFAOYSA-N 312.142 3.004 10 10 DGCE NCc1cc(F)c(N2CC[C@@H]3CC[C@H]3C2)cc1Br 2068256544 OZAACDSXSKVJQI-UWVGGRQHSA-N 313.214 3.283 10 10 DGCE NCCc1ccnc(N2CCc3c(Br)cccc32)c1 2098617231 ZTAGLMBEYFAHFQ-UHFFFAOYSA-N 318.218 3.040 10 10 DGCE CN(c1ccc(CN)c(Br)c1)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21 2116354198 IPAANTUIOIJFNU-HXKBKMISSA-N 321.262 3.389 10 10 DGCE Cc1nc(C)c(Br)c(OCCc2ccc(N)cc2)n1 2119804816 VQMJWPXDSOYGGT-UHFFFAOYSA-N 322.206 3.060 10 10 DGCE COc1cc(Br)cc(C(=O)Cc2ccc(N)cc2)c1 2136329460 LULRIAUURSXSMW-UHFFFAOYSA-N 320.186 3.465 10 10 DGCE CCN[C@](CO)(CSc1nccs1)C1CCCCC1 2142999265 VDWBKNBZLFYLAG-CQSZACIVSA-N 300.493 3.156 10 10 DGCE CN[C@@H](c1ccc(N(C)C)cc1)[C@H](O)c1cc(Cl)cs1 2163132381 BCUIUJKJSKMEMB-LSDHHAIUSA-N 310.850 3.462 10 10 DGCE CNCc1ccc(N(CCOC)[C@H]2CCSC2)cc1Cl 2170130870 MNXJXUWCHLLYGH-AWEZNQCLSA-N 314.882 3.018 10 10 DGCE Cc1cc(NS(=O)(=O)[C@H]2CCCC[C@H]2F)c(C)cc1O 2175531420 NEMIXFUQZQNAAG-RISCZKNCSA-N 301.383 3.031 10 10 DGCE CN(Cc1ccc(N)cc1)C(=O)c1ccnc(Cl)c1Cl 2177240652 IXHBGXHBKOOHNC-UHFFFAOYSA-N 310.184 3.243 10 10 DGCE CO[C@@H]1CN(c2ccc([C@@H](C)N)cc2Cl)CC(F)(F)C1 2185153263 CWIFHAWRAYPQJG-KOLCDFICSA-N 304.768 3.220 10 10 DGCE CC(F)(F)c1cc(CNCc2cccc(Cl)c2O)no1 2192909699 CNUYVCWNTSUXHF-UHFFFAOYSA-N 302.708 3.435 10 10 DGCE CNCc1ccc(N2CCC[C@H](OC(F)F)C2)cc1Cl 2235667057 RJIFYMCOEAPCME-LBPRGKRZSA-N 304.768 3.267 10 10 DGCE CCN1C(=C2SC(=S)N(C)C2=O)Sc2ccccc21 2294607101 GBCXHZYPYAJUAM-UHFFFAOYSA-N 308.453 3.278 10 10 DGCE O=C(C=Cc1cc2ccccc2o1)NCc1ccc(O)c(O)c1 2301404163 QKOPXTHHKXGUSJ-UHFFFAOYSA-N 309.321 3.174 10 10 DGCE Cc1ccc(CNC[C@@H]2C[C@@H]2CF)c(O)c1Br 2307476201 YPGAYIGIWSMZFW-MNOVXSKESA-N 302.187 3.158 10 10 DGCE COc1ccc(N2N=C(C)C(=Cc3ccccc3O)C2=O)cc1 2332140224 MPTVOJJYDLLJFC-UHFFFAOYSA-N 308.337 3.207 10 10 DGCE Cc1ccc(O)c(CN(CCCN(C)C)Cc2ccccn2)c1 19133159 AEYDDSRGZYGICD-UHFFFAOYSA-N 313.445 3.050 10 10 DGCE COc1ccc(CNCc2cccc(Br)c2)c(O)c1 48818374 DFWOJCIARIUNDN-UHFFFAOYSA-N 322.202 3.453 10 10 DGCE CCN(C(=O)COc1cccc(Cl)c1)c1ccc(N)cc1 63114268 MSCGCTYBRSQPSF-UHFFFAOYSA-N 304.777 3.354 10 10 DGCE Oc1cc(OCc2ccccc2)c(Cl)cc1[C@H]1COCCN1 95783877 HZWUXAIUQLRBIY-OAHLLOKOSA-N 319.788 3.286 10 10 DGCE CCN(Cc1cc(Br)cc(C)c1O)[C@@H](C)COC 124546281 DKGPQTCIJLXXJC-NSHDSACASA-N 316.239 3.320 10 10 DGCE CC[C@@H](NCCCNC(=O)c1cccs1)c1ccccc1O 156569435 MFJNIQOMZKKARS-CQSZACIVSA-N 318.442 3.315 10 10 DGCE C[C@H]1CN([C@H](C)c2cc(Br)ccc2O)C[C@@H](C)O1 158073107 QBVILXPXNABSTA-OUAUKWLOSA-N 314.223 3.325 10 10 DGCE Cc1ccc([C@@H](C)Nc2cccc(-n3nnnc3C)c2)c(O)c1 192821720 BZZZLLIXZIOBLF-GFCCVEGCSA-N 309.373 3.158 10 10 DGCE CC1(C)C[C@@H](NC(=O)c2cccc(O)c2O)c2ccccc2O1 193134072 NMICAQCPIUOEKT-CYBMUJFWSA-N 313.353 3.130 10 10 DGCE CCN(C(=O)/C=C\c1cnn(-c2ccccc2)c1)c1cccnc1 255363690 IIEKVDOZQZIZIH-KHPPLWFESA-N 318.380 3.334 10 10 DGCE C[C@@H](C1CC1)N(Cc1ccccc1)c1ccc2c(c1)NC(=O)[C@H]2N 385517951 SKVYDLJPMRNQIM-DJJJIMSYSA-N 321.424 3.444 10 10 DGCE CCCN[C@]1(CO)CCC[C@H](CSc2nccs2)C1 403077712 YRWJZLBMLHZUQR-GXTWGEPZSA-N 300.493 3.156 10 10 DGCE CC1(C)OC[C@@H]2C[C@]21NCc1cc(Cl)cc(Cl)c1O 527766537 OTRSQRCJHDAUOD-XPTSAGLGSA-N 302.201 3.356 10 10 DGCE CC1(C)OC[C@H]2C[C@@]21NCc1cc(Cl)cc(Cl)c1O 527766538 OTRSQRCJHDAUOD-YMTOWFKASA-N 302.201 3.356 10 10 DGCE Oc1ccccc1CNCC[C@@H]1CCN(Cc2ccccc2)C1 723980255 NPCKZEGPURSNOY-GOSISDBHSA-N 310.441 3.394 10 10 DGCE C[C@H]1C[C@@H](NCc2cc(Br)ccc2O)C[C@@H](C)O1 724667065 BNKUIQPJOSACDW-IWIIMEHWSA-N 314.223 3.200 10 10 DGCE CC[C@@H](NCc1nc(-c2ccccc2)n[nH]1)c1ccccc1O 775542339 NSNZAYHQDWQQOS-OAHLLOKOSA-N 308.385 3.418 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccnn1C1CCCC1 779509753 HSGHFYBCCRPAQU-SOFGYWHQSA-N 313.357 3.061 10 10 DGCE COC(=O)CCCCCNCc1c(O)ccc(Cl)c1F 809727266 HBTVHKZJOCQPBU-UHFFFAOYSA-N 303.761 3.008 10 10 DGCE COC1CCC(CNCc2cc(Cl)c(F)cc2O)CC1 816555567 JFLJWEYJJAJCPL-UHFFFAOYSA-N 301.789 3.480 10 10 DGCE CC[C@H](N[C@H]1CNCCC1(F)F)c1cccc(Cl)c1O 817979777 FDNSNBMUPKRNKY-RYUDHWBXSA-N 304.768 3.084 10 10 DGCE C[C@@H](NCC1(CF)CCOCC1)c1cc(Cl)ccc1O 834884940 FJZVZBBQEBSHMG-LLVKDONJSA-N 301.789 3.463 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@@](C)(CO)c2ccccc2)cc1 835039082 GDWXKFGZLBORAT-DUIUGDAFSA-N 310.441 3.263 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@@H](CO)C2CCCCC2)cc1 835041357 BRDXRYUOOBGVJV-GHOSXJJBSA-N 302.462 3.297 10 10 DGCE CN(C)c1ccc(/C=C/CNC[C@H](CO)c2ccccc2)cc1 835044217 XXTWDGCDEACXIU-OVKVCFKUSA-N 310.441 3.132 10 10 DGCE COc1cc2c(c(OC)c1)N(C[C@H]1CCO[C@H](C)C1)CCC2 839656409 KFJXJHAVPAAOPP-KGLIPLIRSA-N 305.418 3.272 10 10 DGCE Cc1cc(O)c(CNCC2(CF)CCOCC2)c(Cl)c1 840950497 LAFDRXHPRIIQRJ-UHFFFAOYSA-N 301.789 3.210 10 10 DGCE COC(CCN(C)Cc1ccc(N2CCCCC2)cc1)OC 851715698 BFXRWEASOLSIOU-UHFFFAOYSA-N 306.450 3.118 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CC[C@@H]([C@H]3CCCO3)C2)c1O 886830807 XOJKWCDKRHFEBB-MLGOLLRUSA-N 323.820 3.249 10 10 DGCE Oc1ccccc1CN(CCc1ccns1)C[C@H]1CCCO1 929970729 KMYGDRADSTUWEY-OAHLLOKOSA-N 318.442 3.072 10 10 DGCE CCc1cccc(C(=O)NCc2ccc3c(c2)CCCN3C)c1O 1136436367 UHJXDBLGUGCTIP-UHFFFAOYSA-N 324.424 3.267 10 10 DGCE Cc1ccc(C)c(SCC(=O)NCc2ccc(O)cc2O)c1 1162271642 MCHOWMXVSZKTIH-UHFFFAOYSA-N 317.410 3.123 10 10 DGCE C=Cc1ccc(CCNC(=O)N2Cc3cccc(O)c3C2)cc1 1228840253 TZGLXUDIANKZCW-UHFFFAOYSA-N 308.381 3.303 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@@H]2CCCC[C@H]2N(C)C)cc1 1347943213 WYJDDPIKJZXMDA-YZBXUTEPSA-N 301.478 3.228 10 10 DGCE Cc1cc(CC(=O)Nc2cncnc2)c(C)n1-c1ccccc1 1528202832 AMGCCQQSCPWVRB-UHFFFAOYSA-N 306.369 3.065 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)[C@@H]1C[C@H]1c1ccsc1 1639625135 ZCTFRADGKQNKGM-LSDHHAIUSA-N 324.405 3.422 10 10 DGCE C[C@@H]1CN(Cc2ccc(N(C)C)cc2)CCN1C1CCCC1 1648327720 LPPCAZVKQOASGI-MRXNPFEDSA-N 301.478 3.201 10 10 DGCE CC(C)Cc1ccc(C(=O)NCc2c(O)cccc2O)s1 1652628394 BGVIJTCYYLMLMB-UHFFFAOYSA-N 305.399 3.288 10 10 DGCE COC(=O)c1ccc(N=c2[nH]c3c(C)cccc3s2)c(O)c1 1859859168 CZJOOHSGWQITIA-UHFFFAOYSA-N 314.366 3.262 10 10 DGCE CN(C(=O)OC(C)(C)C)[C@H]1CN(c2ccc(N)cc2)CC1(C)C 1899992829 FKDQCTMFVCUVAC-HNNXBMFYSA-N 319.449 3.351 10 10 DGCE Cc1cc(C(=O)N2CC[C@H](N=[N+]=[N-])C2)sc1Br 1912201137 PVMOHEVLALDAIV-ZETCQYMHSA-N 315.196 3.344 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[C@H](N)c1ccccc1O 1928473793 FUZCLZFWBXDYSL-KYOSRNDESA-N 306.406 3.085 10 10 DGCE CN(c1ccc(CN)cc1Br)C1CC(F)(F)C1 1942046186 NCEGOQLEKSJDGR-UHFFFAOYSA-N 305.166 3.142 10 10 DGCE Cc1cc(O)c(C2(N)CCN(C(=O)OC(C)(C)C)CC2)cc1C 1953029706 VGNPRELOQUIUHX-UHFFFAOYSA-N 320.433 3.194 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CN(c2ccc(N)cc2)C(C)(C)C1 1959552977 CBTKFDODTMESBL-ZDUSSCGKSA-N 305.422 3.151 10 10 DGCE Cc1cccc(N)c1N[C@H]1C[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 1977658849 GSRGEVUBLQTLIU-AEGPPILISA-N 317.433 3.387 10 10 DGCE CCN1CCc2cc([C@H](O)CCNCc3ccccc3)ccc21 1977960622 WBGOSMYBYBGCCB-HXUWFJFHSA-N 310.441 3.282 10 10 DGCE Nc1ccc(Oc2nc(Cl)ncc2Br)cc1 1986746494 RMUHGZCACUOMOW-UHFFFAOYSA-N 300.543 3.267 10 10 DGCE C[C@@H](N)c1cc(F)c(N2CC(OCc3ccccc3)C2)c(F)c1 1990440039 OAPMDICRWJCSMY-GFCCVEGCSA-N 318.367 3.390 10 10 DGCE COc1cc(Cl)cc(CNCC/C=C/Br)c1O 2004056402 MRUCSXSENXPFBO-DUXPYHPUSA-N 320.614 3.443 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)c2cc(Br)cs2)C1 2004868367 JRKKQRNBAXNGRQ-MRVPVSSYSA-N 315.196 3.426 10 10 DGCE Oc1cccc(Br)c1CNc1cnc(Cl)cn1 2008697571 IPXXMUFMZJMNEK-UHFFFAOYSA-N 314.570 3.210 10 10 DGCE CO[C@H]1CCCC[C@H]1NCc1c(O)cccc1Br 2027929632 PPKTVISFDORHSL-OCCSQVGLSA-N 314.223 3.202 10 10 DGCE CN1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2053477897 QNWPUBZZBTWIPC-UHFFFAOYSA-N 314.229 3.280 10 10 DGCE [N-]=[N+]=NCC1(CNC(=O)c2ccc(Br)cc2)CC1 2054033191 UPBMNUBGNFQCLC-UHFFFAOYSA-N 309.167 3.269 10 10 DGCE CNCc1cc(C2CCC2)nn1[C@@H](C)c1ccc(F)cc1O 2070033485 ADNBINVGUOUGCW-NSHDSACASA-N 303.381 3.324 10 10 DGCE CN(Cc1ccc(N)cc1)Cc1ccc(Br)cc1O 2092465160 BJPFAGIFFKRIIJ-UHFFFAOYSA-N 321.218 3.369 10 10 DGCE NCc1ccc(N2CC[C@@H](c3ccco3)C2)cc1Br 2114241992 JFFWVTISKHHQOX-GFCCVEGCSA-N 321.218 3.495 10 10 DGCE COCCN(c1ccc([C@H](C)O)c(Cl)c1)[C@@H]1CCSC1 2170156850 JTPGRGIAURVMBO-WCQYABFASA-N 315.866 3.352 10 10 DGCE Nc1cccc(Br)c1N[C@@H](C(F)F)[C@@H]1CCOC1 2223187711 BJZCHIDOMHBIPK-GMSGAONNSA-N 321.165 3.113 10 10 DGCE CSc1ncc(CNc2ccnc(Cl)c2[N+](=O)[O-])s1 2269090972 SQYOWHCLCRUITA-UHFFFAOYSA-N 316.795 3.434 10 10 DGCE CN[C@@H](C)c1ccc(N2C[C@H]3C=C[C@@H]2C3)cc1Br 2308764849 UKNDSVQGWPPYOK-SDDRHHMPSA-N 307.235 3.494 10 10 DGCE CO[C@H]1CCCN(Cc2ccc(C)c(Br)c2O)C1 2327799501 WLAHXYKIURNIJD-LBPRGKRZSA-N 314.223 3.074 10 10 DGCE Cc1ccc(CN(C)C(=O)[C@@]23CC[C@H]2C3)c(O)c1Br 2352667528 YDCIQDHDELWDDV-XHDPSFHLSA-N 324.218 3.222 10 10 DGCE Nc1ccc(CNC(=O)c2ccc(Br)cc2F)cc1 37666292 CYRFJXZSLGSOJV-UHFFFAOYSA-N 323.165 3.100 10 10 DGCE CCCc1nc(-c2ccc(N(C)C)cc2)sc1C(N)=S 82428315 XDCAEYDQEMGIRT-UHFFFAOYSA-N 305.472 3.463 10 10 DGCE CC[C@@H](N[C@@H](CO)C(C)C)c1cc(Br)ccc1O 92393354 ABVIQBQGHNNLLJ-OLZOCXBDSA-N 316.239 3.212 10 10 DGCE CC[C@@H](C)[C@@H](O)[C@@H](N)c1ccc(OCc2ccccc2)cc1O 95823890 KPKTVZPTGHAEON-ZNZDAUKMSA-N 315.413 3.378 10 10 DGCE CC(C)(C)OC(=O)N1Cc2nc(Cc3ccc(N)cc3)oc2C1 107707498 QCMSDAFUJRGMBQ-UHFFFAOYSA-N 315.373 3.098 10 10 DGCE CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C/C=C/c1ccco1 108454092 NAHMJGVTAFLHKN-NKJMRRHMSA-N 322.320 3.340 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)C(=O)n1ccc2cccc(N)c21 170026319 FQSGOKQHAYLNNR-LLVKDONJSA-N 310.353 3.154 10 10 DGCE COc1ccc(F)cc1CNCc1ccc2c(c1)CCN2C 189204415 IBDPZEURQXGSSA-UHFFFAOYSA-N 300.377 3.116 10 10 DGCE COCc1nc(CNc2ccccc2C(=O)c2ccccc2)no1 192587536 AQDXQQYZEZSNKO-UHFFFAOYSA-N 323.352 3.059 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)[C@H]1C[C@H](C)O[C@H](C)C1 245720513 DHIKWBAHDJXNMO-MIFYACCESA-N 305.418 3.334 10 10 DGCE CC[S@](=O)[C@@H]1CCC[C@@H](N[C@H](C)c2ccc(N(C)C)cc2)C1 246960042 HVINVHLMRQQWPS-BVEDMNCXSA-N 322.518 3.483 10 10 DGCE CC[C@H](C)COC(=O)/C=C\c1ccc(N2CCOCC2)cc1 255541237 NJCTYQZMDWHSGG-AJHXJQRKSA-N 303.402 3.126 10 10 DGCE COc1cc(N(C)Cc2cnccc2C)cc(OC)c1OC 269572480 BLENWKDIMYZTHQ-UHFFFAOYSA-N 302.374 3.052 10 10 DGCE Oc1cc(F)c(Cl)cc1CNC[C@H]1CSCCS1 293511465 CFMBKUNWZZBTGF-VIFPVBQESA-N 307.843 3.123 10 10 DGCE COc1ccc(O)c(CN[C@@H](C)CN(C)Cc2ccccc2)c1 309638598 AVWAPWIPGUOBIO-HNNXBMFYSA-N 314.429 3.011 10 10 DGCE CCOc1ccc(O)c(CN2CCC([C@H]3CCOC3)CC2)c1 374924769 HGHCOXRWBAHNGL-HNNXBMFYSA-N 305.418 3.039 10 10 DGCE Nc1ccc(NC(=O)N2CC[C@@H](OCc3ccccc3)C2)cc1 384085693 DBRVAHMQLBNVIW-QGZVFWFLSA-N 311.385 3.092 10 10 DGCE C[C@@H](COCc1ccccc1)N[C@H](C)c1ccc(O)cc1O 390559420 KLLRCBWTYDZAJL-UONOGXRCSA-N 301.386 3.354 10 10 DGCE CC(C)C[C@@](C)(O)CNCc1ccc(Br)cc1O 691490291 WFNQFBUSXFSYHP-CQSZACIVSA-N 316.239 3.041 10 10 DGCE CCOC[C@@H]1CCCN1Cc1ccc(Br)cc1O 696590072 LKGVQJWWVKNGEV-ZDUSSCGKSA-N 314.223 3.156 10 10 DGCE CN[C@@H](C)c1ccc(N2CCO[C@@H](CCF)C2)c(Cl)c1 700574607 ISGZFOFDTYYUDP-AAEUAGOBSA-N 300.805 3.185 10 10 DGCE Cc1cccc(CNC2(CNC(=O)OC(C)(C)C)CCC2)c1O 705607398 ZTURFHHOWWTNFC-UHFFFAOYSA-N 320.433 3.238 10 10 DGCE CNCc1cc(F)c(N(C)[C@H]2CC[C@H](SC)C2)c(F)c1 708299821 DNJIKCCOTNUUCQ-RYUDHWBXSA-N 300.418 3.405 10 10 DGCE CO[C@@H](C)CN(C(=O)NCc1ccc(N(C)C)cc1C)C(C)C 741089947 XJUURTMFBSTSBJ-HNNXBMFYSA-N 321.465 3.016 10 10 DGCE Cc1ccc([C@H](C)NC[C@@H]2COc3ccccc3O2)c(O)c1C 756353467 ZQACBUGPNHCILA-LSDHHAIUSA-N 313.397 3.500 10 10 DGCE C[C@H](NCCN(C)C1CCCCC1)c1cc([N+](=O)[O-])ccc1O 756454961 GUJYGAFTXZJOOW-ZDUSSCGKSA-N 321.421 3.216 10 10 DGCE Oc1ccccc1CN(C[C@H](O)C(F)(F)F)C1CCCC1 763834286 LBNRBBXAJDHYLS-AWEZNQCLSA-N 303.324 3.060 10 10 DGCE CC[S@@](=O)CCN[C@H](C)c1cc(Cl)c(Cl)cc1O 774181041 DPCBIJGKXHQPQR-NTCNTBNZSA-N 310.246 3.118 10 10 DGCE COc1ccc(CNc2cc(OC)cc(F)c2[N+](=O)[O-])c(O)c1 795286008 XNADHAJPTHYCKW-UHFFFAOYSA-N 322.292 3.069 10 10 DGCE CCN(CC)c1ccc(CNc2ncc(OC)cn2)cc1F 811837600 UYCAUZINJXLCIC-UHFFFAOYSA-N 304.369 3.083 10 10 DGCE CCCNC(=O)COc1ccc(N2CCCCC2)c(Cl)c1 817381669 IVUDSMYHFKSZQS-UHFFFAOYSA-N 310.825 3.235 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)N1Cc2c[nH]nc2C1 820213602 NYCQFFDJMADFQH-UHFFFAOYSA-N 312.398 3.035 10 10 DGCE Oc1cc(F)c(Cl)cc1CNCC1(CF)CCOCC1 824795287 SPQKYQRNFSLPFF-UHFFFAOYSA-N 305.752 3.041 10 10 DGCE Cc1ccc([C@@H](O)CNCc2c(O)cc(C)cc2Cl)cc1 840880898 FWLZYXOGYSTDLL-KRWDZBQOSA-N 305.805 3.486 10 10 DGCE C[C@H]1CCN(Cc2ccccc2O)C[C@H]1C(=O)OC(C)(C)C 843414535 HXFCHFJBMMHOAT-DZGCQCFKSA-N 305.418 3.192 10 10 DGCE CC[C@H](C(=O)O)N(C)Cc1ccc(N(C)C)cc1C(F)(F)F 844936047 IDBBKTIYQQTTGP-CYBMUJFWSA-N 318.339 3.066 10 10 DGCE C[C@@H](CNCc1cc(Cl)cc([N+](=O)[O-])c1O)c1ccccn1 850341303 GHEQLZDBMWMOJB-JTQLQIEISA-N 321.764 3.242 10 10 DGCE C[C@H](NC(=O)NC[C@]1(C)CC1(F)F)c1ccc(N(C)C)cc1 852261266 OMWUCOZJVZUHJI-NHYWBVRUSA-N 311.376 3.158 10 10 DGCE COC(=O)C1=CC[C@H](N[C@H](C)c2ccc3ccccc3c2O)C1 858471980 FYKJPYYBIQMOOW-DOMZBBRYSA-N 311.381 3.458 10 10 DGCE C[C@H](NC(=O)Nc1cccc(CN(C)C)c1)c1ccccc1O 866160908 HJFRGCJUJMKUFR-ZDUSSCGKSA-N 313.401 3.337 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CCCC[C@@H]1F 868923243 ZNPYFYOONLYJIJ-NWDGAFQWSA-N 300.761 3.126 10 10 DGCE OC[C@@H](CNCc1ccc2ccccc2c1O)Cc1ccoc1 895585630 LAHHPPAYRTUHDX-OAHLLOKOSA-N 311.381 3.079 10 10 DGCE CC1(C2(NC(=O)c3cc4cc(O)c(O)cc4s3)CC2)CC1 909275797 CGJAKBXAUBSIGG-UHFFFAOYSA-N 303.383 3.375 10 10 DGCE Cc1cc(O)c(CN(C)CC(=O)Nc2cccc(F)c2)cc1C 915825525 ZWDNHALAGUJIJT-UHFFFAOYSA-N 316.376 3.219 10 10 DGCE Oc1c(F)cc(F)cc1CNC[C@@]1(c2ccccc2)CCCO1 922965645 ZOJQXLALZSYVHS-GOSISDBHSA-N 319.351 3.466 10 10 DGCE C[C@@H]1CCC[C@H](CNC(=O)NCc2c(O)cccc2F)[C@@H]1C 1227439343 WCORREYKDUBYEN-JHJVBQTASA-N 308.397 3.403 10 10 DGCE Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccccc1O 1471194583 LEQXLCJOKITKAV-NSHDSACASA-N 300.314 3.100 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CC[C@H]2C[C@H]2CC1 1523542744 VPYILMXFOPJKTP-QDMKHBRRSA-N 314.429 3.304 10 10 DGCE O=C(Cc1ccc2ccccc2c1)NCc1ccc(O)cc1O 1557084735 MIFVNTAEJKDWOH-UHFFFAOYSA-N 307.349 3.110 10 10 DGCE O=C(Nc1ccc(Oc2cccnn2)cc1)c1cc(O)cs1 1557660895 XKUFHGKYCQQGEP-UHFFFAOYSA-N 313.338 3.288 10 10 DGCE O=C(CSc1ccc(O)cc1)NCc1cc(Cl)ccc1O 1583820597 ITWHFUGZIPXDSU-UHFFFAOYSA-N 323.801 3.160 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)[C@H]1CCc2cccnc21 1597742764 OWJCDHAMKJUQMK-INIZCTEOSA-N 318.376 3.287 10 10 DGCE C/C(=C\C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)c1cccs1 1624954857 LVYHKODHZJVTDA-JATZPVMKSA-N 317.410 3.310 10 10 DGCE CCCCOC(=O)[C@@H](C)N(Cc1ccc(N(C)C)cc1)C1CC1 1641554058 BTPYIZCAJZTYAL-OAHLLOKOSA-N 318.461 3.449 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)C1(c2ccccn2)CC1 1645443807 VWJJKWYKQDJXHP-UHFFFAOYSA-N 318.376 3.288 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)N1C[C@@H](C2CC2)C[C@H]1C1CC1 1648059112 YRFBDHXZGUWAEP-AWKNZFSTSA-N 313.397 3.148 10 10 DGCE COc1ccc(CNCC[C@@H](C)NC(=O)C(C)(C)C)cc1C 1715698147 JMBDAELFLNXCHD-CQSZACIVSA-N 306.450 3.034 10 10 DGCE COC(=O)c1ccc(N=c2[nH]c3ccc(F)cc3s2)c(O)c1 1859859309 KRINQXGHVNJYNJ-UHFFFAOYSA-N 318.329 3.093 10 10 DGCE CCCN1N=C(c2ccccc2)/C(=C/c2ccccc2O)C1=O 1865677278 ATNDOCPQEVDXRP-SSZFMOIBSA-N 306.365 3.432 10 10 DGCE Oc1cc(Br)ccc1CN[C@@H]1C(F)(F)C12CC2 1876229008 RNJBJRNMCWAFEU-JTQLQIEISA-N 304.134 3.042 10 10 DGCE CC(C)[C@H]1C[C@@](N)(c2ccccc2O)CN1Cc1ccccc1 1920152326 HJOAWBIAQJSUJQ-QUCCMNQESA-N 310.441 3.477 10 10 DGCE CCc1cccc(CN[C@]23C[C@H]2CN(Cc2ccccc2)C3)c1O 1950084555 NSEVNJIAANIAND-FPOVZHCZSA-N 322.452 3.319 10 10 DGCE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNc1ccc(N)cc1 1959364958 OSKYEZSMAUAPLX-SWLSCSKDSA-N 305.422 3.326 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCCN(c2ccc(N)cc2)CC1 1959563806 BXFJITDPOQEDGS-CQSZACIVSA-N 305.422 3.152 10 10 DGCE CCCN(CCCN=[N+]=[N-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 1962287968 PCUAJVXQRAYTMD-ZDUSSCGKSA-N 311.430 3.408 10 10 DGCE CC(C)N(CCN(C)C(=O)OC(C)(C)C)Cc1ccc(N)cc1 1977896625 MIZBSJXCWLLOSI-UHFFFAOYSA-N 321.465 3.346 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1C[C@H](CCNCc2ccc(N)cc2)C1 1980638110 XXWCNVNOVQLLAZ-KOMQPUFPSA-N 319.449 3.052 10 10 DGCE Cc1sc(Br)nc1CN1CC[C@H](N=[N+]=[N-])C1 1981443551 DPWLQUBIGLCPSD-ZETCQYMHSA-N 302.201 3.099 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](Oc3ccc(N)cc3)[C@H]2C1 1992425388 JZMVCAXDKJZHFC-VBNZEHGJSA-N 318.417 3.293 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)c2cc(Br)cs2)C1 2004868368 JRKKQRNBAXNGRQ-QMMMGPOBSA-N 315.196 3.426 10 10 DGCE C[C@H](N)c1ccc(N(C)CP(C)(C)=O)cc1Br 2021448061 ZURAOWRYTCYLPW-VIFPVBQESA-N 319.183 3.485 10 10 DGCE CN(C[C@@H]1CC[C@@H]2C[C@H]21)c1ccc(CN)c(Br)c1 2040240400 MTRMFOBMLGTNKJ-SCDSUCTJSA-N 309.251 3.390 10 10 DGCE CO[C@H](CN(C)Cc1ccc(Br)cc1O)C(C)C 2068249861 QVKWGJWAFGXMJL-CQSZACIVSA-N 316.239 3.258 10 10 DGCE Cc1cnn(C)c1[C@@H](C)NCc1cccc(Br)c1O 2094118235 PMBRIZIHFQEIHY-SNVBAGLBSA-N 324.222 3.047 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 2155554122 WEEIUWUBTFWXIX-LLVKDONJSA-N 314.798 3.194 10 10 DGCE CCOP(=O)(CCN1CCC[C@H](N=[N+]=[N-])CC1)OCC 2155559239 VTWUYQRSKVLGGE-LBPRGKRZSA-N 304.331 3.417 10 10 DGCE C[C@@H](O)c1ccc(N2CC[C@@H](c3nncs3)C2)c(Cl)c1 2196553833 HLNUZDPPADSVRI-MWLCHTKSSA-N 309.822 3.239 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNCc1noc(C(F)F)n1 2199444678 PEJRIGGOMCFQDJ-UHFFFAOYSA-N 324.114 3.309 10 10 DGCE CSc1ncc(CNCc2nnc(C3CCC3)s2)s1 2208641570 ZIFAGDSWOXZEMW-UHFFFAOYSA-N 312.489 3.274 10 10 DGCE C[C@@H](O)c1ccc(N(C)C[C@H](F)[C@H]2CCOC2)cc1Cl 2238343272 MUKWIVYNJZMEQX-ZETOZRRWSA-N 301.789 3.204 10 10 DGCE CC1(C[S@](=O)Cc2ccc(N)cc2)CC(C(F)(F)F)C1 2287337587 ZOLCNZNZHYGOGD-MIJIDIFASA-N 305.365 3.496 10 10 DGCE CN(C)c1ccc([C@H](O)c2cnsc2Br)cc1 2300340176 OXLUHPLOFYZGEV-NSHDSACASA-N 313.220 3.053 10 10 DGCE C[C@H](NC(=O)C=Cc1ccc(O)c(O)c1)[C@@H](C)c1ccccc1 2307989950 NTXSPAHZFBFRGY-KGLIPLIRSA-N 311.381 3.419 10 10 DGCE Cc1ccc(CN[C@@H]2CCCOCC2)c(O)c1Br 2327621652 PQGMVHDGJXBETF-GFCCVEGCSA-N 314.223 3.122 10 10 DGCE Cc1ccc(CN[C@]2(C)CCO[C@H]2C)c(O)c1Br 2327799399 VCBWBNVXXMVDSU-IINYFYTJSA-N 314.223 3.120 10 10 DGCE CCOc1c(C=C2C(=O)N(CC(C)C)N=C2C)cccc1OC 2332117533 RJCJHYCJIRAZCR-UHFFFAOYSA-N 316.401 3.351 10 10 DGCE CC1C[C@H]2C(=O)N(c3c(Cl)cc(N)cc3Cl)C(=O)[C@@H]2C1 2353865806 BJNICLHIHVANOK-RKDXNWHRSA-N 313.184 3.111 10 10 DGCE CCCN[C@@](CCC1CC1)(CSc1nccs1)C(=O)O 2366634905 PXYATZUNTFMNPS-AWEZNQCLSA-N 314.476 3.248 10 10 DGCE CC[C@H](C)CN(C)c1c(F)cc(CNCCOC)cc1F 62735492 IMQUEYLBLHSMRA-LBPRGKRZSA-N 300.393 3.183 10 10 DGCE Nc1ccc(CCNC(=O)/C=C/c2ccc(Cl)cc2)cc1 63129837 ANAUDVJBMXHDCV-BJMVGYQFSA-N 300.789 3.294 10 10 DGCE CCOc1ccc(N2CC[C@@H](CNCc3ccncc3)C2)cc1 76364901 NQYQCXROUBSAIX-KRWDZBQOSA-N 311.429 3.096 10 10 DGCE CC(C)c1nnsc1C(=O)N(C)[C@H](C)c1ccccc1O 87442371 HIVVBVMZPATGCK-SNVBAGLBSA-N 305.403 3.200 10 10 DGCE Cc1cc(C(=O)O[C@@H](C)[C@@H]2CCOC2)c(C)n1-c1ccccn1 175253129 PRTUOXLVSPGQMJ-LSDHHAIUSA-N 314.385 3.071 10 10 DGCE COc1ccc(O)c([C@H](C)NCCOc2ccc(F)cc2F)c1 185647016 FMDOMILBJWJXHE-NSHDSACASA-N 323.339 3.409 10 10 DGCE Oc1c(Cl)cccc1CN[C@H](c1ccccc1)c1nc[nH]n1 369015145 DKGZRSMFFMFHMI-CQSZACIVSA-N 314.776 3.043 10 10 DGCE O=[N+]([O-])c1ccc(O)c([C@@H](C2CCCCC2)N2CCOCC2)c1 575294241 QDIYOFQKRIXYRI-QGZVFWFLSA-N 320.389 3.254 10 10 DGCE C[C@H]1CCC[C@@H](CNCc2cccc(Br)c2O)O1 688867035 RKCDUKIEPWDCGI-JQWIXIFHSA-N 314.223 3.202 10 10 DGCE C[C@H](O)c1ccc(N2CCC[C@H](F)C2)cc1Br 689390044 VLKMOKSKKQEHFS-UWVGGRQHSA-N 302.187 3.441 10 10 DGCE CN1C[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3O)C[C@@]2(C)C1 702435203 LOOUAFMLEDJQLL-IAQYHMDHSA-N 315.244 3.083 10 10 DGCE C[C@H](N)c1ccc(N2CCS[C@H](C(F)(F)F)C2)c(F)c1 721389589 NFXLHRBUNCNSCA-UFBFGSQYSA-N 308.344 3.330 10 10 DGCE Cc1ccc(/C=C/S(=O)(=O)Nc2ccc(O)cc2C)cc1 740701186 YXTMXTPDRZAOOA-MDZDMXLPSA-N 303.383 3.422 10 10 DGCE CC(=O)c1cc(F)cc(CN2CCCC[C@H]2C(F)F)c1O 800445801 YYBATCFMDTYUDD-ZDUSSCGKSA-N 301.308 3.354 10 10 DGCE Nc1ccc(CCNC(=O)CCCc2cc(F)ccc2F)cc1 818545013 AAHQIPOTYUILCL-UHFFFAOYSA-N 318.367 3.229 10 10 DGCE O[C@@H](CNCc1ccc(N2CCCC2)cc1)CC1CCCC1 818953310 FZTPCHOMPLGMQV-LJQANCHMSA-N 302.462 3.318 10 10 DGCE COC(=O)[C@@H](C)N(C/C=C\c1ccc(N(C)C)cc1)C1CCC1 835050363 PHCQPIFTIOLXCE-IDTUSYRASA-N 316.445 3.182 10 10 DGCE COc1ccc(CN2CCCc3cc(CN)ccc32)cc1OC 843057121 CEYJRMJBUYLSOG-UHFFFAOYSA-N 312.413 3.115 10 10 DGCE Cc1ccc2c(c1)C(=O)N[C@H](c1ccc3c(c1)CCCN3C)N2 843274004 VEVSDWFLZVQIPQ-GOSISDBHSA-N 307.397 3.232 10 10 DGCE CCOC(=O)CC(C)(C)CN[C@H](C)c1cc(OC)ccc1O 845972517 RDQLATSCUWKYAI-GFCCVEGCSA-N 309.406 3.031 10 10 DGCE Cc1cc(O)c(CN[C@@H](c2ccccc2F)[C@H](C)O)cc1C 846015719 CXAJMBQRODCRNW-SCLBCKFNSA-N 303.377 3.360 10 10 DGCE COc1cccc(CCN[C@H](C)c2cccc(OC)c2O)c1 846140688 YLLAYJPVLYNHDV-CYBMUJFWSA-N 301.386 3.303 10 10 DGCE C[C@]1(F)CCCN(Cc2c(O)cccc2Br)C1 862382117 PYPSTIQGXTUMHW-ZDUSSCGKSA-N 302.187 3.479 10 10 DGCE c1cc(N2CCCCC2)ccc1CN[C@@H]1[C@@H]2C[C@H]3[C@H](CO[C@H]31)C2 865694632 SZHAKFMKSBXLSL-FLFBIERCSA-N 312.457 3.190 10 10 DGCE COc1ccc(O)c([C@@H](C)NC2CCC(C)(N(C)C)CC2)c1 866518051 RSJDPPAOCLPBCR-WRSVWVKZSA-N 306.450 3.314 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCCC[C@@H]1F 868915861 FOPMWYQPQWHSIE-JKSUJKDBSA-N 307.413 3.175 10 10 DGCE O=C1/C(=C\c2ccccc2F)SC(=S)N1CN1CCCC1 1081102128 WVIILIVHECUEGQ-UKTHLTGXSA-N 322.430 3.080 10 10 DGCE C[C@@H](SCc1ccccc1)C(=O)NCc1c(O)cccc1O 1156881264 WKFAKQPMRGVISZ-GFCCVEGCSA-N 317.410 3.036 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)N[C@@H]1C[C@@H]1c1ccccc1 1227470004 FYAXKJNHFKLTMG-HUUCEWRRSA-N 316.788 3.401 10 10 DGCE COc1c(C(=O)N[C@H](C)c2ccccc2O)[nH]c2ccccc12 1643741968 HLPRPBTXCGFTSP-LLVKDONJSA-N 310.353 3.373 10 10 DGCE CC[C@H](CNC(=O)C1CCCC1)NCc1ccc(OC)c(C)c1 1714052442 FQSTVWVHYZQKOM-QGZVFWFLSA-N 318.461 3.178 10 10 DGCE CC(F)(F)c1ccc(NC(=O)c2cc(O)c(O)c(O)c2)cc1 1865876370 HAWWOWXSJHLFTH-UHFFFAOYSA-N 309.268 3.167 10 10 DGCE Cc1cc(Br)c(N)c(C(=O)Nc2ccc(N)cc2)c1 1866210677 HTBCEQDRDMPWGL-UHFFFAOYSA-N 320.190 3.174 10 10 DGCE C[C@H](N)c1ccc(N(Cc2ccccc2)C[C@@H](C)O)c(F)c1 1914615665 DZBDVSZSPYEHBJ-KGLIPLIRSA-N 302.393 3.233 10 10 DGCE C[C@@H](Nc1csnc1Br)c1cc(O)ccc1O 1926858505 JJVJIQFSKIBWKX-ZCFIWIBFSA-N 315.192 3.490 10 10 DGCE Nc1ccc(N[C@H]2C[C@@H](NC(=O)OCc3ccccc3)C2)cc1 1954642739 HUNWUJDBGMEQKJ-CALCHBBNSA-N 311.385 3.138 10 10 DGCE CN(C[C@@H]1CCN(CCCCN=[N+]=[N-])C1)C(=O)OC(C)(C)C 1962298362 DOOZZHYSMUDIKV-ZDUSSCGKSA-N 311.430 3.266 10 10 DGCE C[C@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)CCN1CCCN=[N+]=[N-] 1962302511 ZCWYTZULZBUEGL-QWHCGFSZSA-N 311.430 3.407 10 10 DGCE C[C@@H]1N(Cc2ccccc2)CC[C@@]1(O)c1ccc2c(c1)CCN2C 1999511319 DNAQFEPFMUJINY-KKSFZXQISA-N 322.452 3.161 10 10 DGCE COc1ccc(Br)cc1[C@@H](N)c1ccccc1O 2029561168 XOUCBUMWKDHQPK-AWEZNQCLSA-N 308.175 3.211 10 10 DGCE C[C@H](C(=O)Nc1ccc(O)c(O)c1)[C@@H]1OCCc2sccc21 2062404082 HPZOWSLKSBBZMA-VFZGTOFNSA-N 319.382 3.048 10 10 DGCE C[C@H](c1c(O)cccc1F)n1nc(-c2ccccc2)cc1CN 2070130824 JLCYCILSICYLLO-GFCCVEGCSA-N 311.360 3.463 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN(Cc2cccnc2Br)C1 2085937986 DUHJDMDMZJBNPR-SNVBAGLBSA-N 310.199 3.366 10 10 DGCE C[C@H](N)c1ccc(N(C)CCn2cccc2)c(Br)c1 2115196462 CMMNVMDBCDDFDT-LBPRGKRZSA-N 322.250 3.407 10 10 DGCE CCn1cc(Br)c(=N[C@H](C)c2ccc(C)cc2O)[nH]1 2124742020 UIJPKIRQNHKUFD-SNVBAGLBSA-N 324.222 3.275 10 10 DGCE CC[C@@H]1CCOC[C@H]1N(C)c1cc(Cl)c(CN)cc1F 2177379027 WOULOZHSPVCHGG-MEBBXXQBSA-N 300.805 3.189 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NC(=O)c1sccc1Br 2213586373 WOAGLDTVDZKBOE-JGVFFNPUSA-N 315.196 3.472 10 10 DGCE CSc1ncc(CNCC2(c3ccc(N)cc3)CC2)s1 2284712127 LLNXUXFFRBCXJM-UHFFFAOYSA-N 305.472 3.269 10 10 DGCE CC[C@H](C)[C@H](C)NC(=O)C=Cc1ccc(N2CCOCC2)cc1 2297505353 IKXOIMXYPWJIPK-HOTGVXAUSA-N 316.445 3.087 10 10 DGCE Cc1ncc(C=CC(=O)N(C)c2cccc([N+](=O)[O-])c2)s1 2303761320 HHSIYGOUDMADOE-UHFFFAOYSA-N 303.343 3.036 10 10 DGCE Cc1ccc(CN[C@@H]2CCO[C@H](C)C2)c(O)c1Br 2327798992 PJAADTSVJRWNFT-ZYHUDNBSSA-N 314.223 3.120 10 10 DGCE COc1ccc(/N=N\c2c(CC(=O)O)nc3ccccn23)cc1 71581184 JIGCHQBKLKBVIB-HNENSFHCSA-N 310.313 3.385 10 10 DGCE CC(=O)Nc1ccc(-c2nccn2Cc2ccccc2O)cc1 82735603 DKLDPTQOLYYZPK-UHFFFAOYSA-N 307.353 3.262 10 10 DGCE CCC1(CN[C@H](C)c2ccc(N3CCC(O)CC3)cc2)CC1 90219425 VASCWWGQSJRXDE-OAHLLOKOSA-N 302.462 3.489 10 10 DGCE CC(C)N1CCN(c2ccc(CNC3CC3)cc2Cl)CC1 163958605 JLVLBMKWXUZSSM-UHFFFAOYSA-N 307.869 3.122 10 10 DGCE CN(Cc1ccccc1O)C(=O)Nc1ccc2c(c1)CCCO2 171385975 GDRYRTATAZJCHG-UHFFFAOYSA-N 312.369 3.381 10 10 DGCE CC[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1cccs1 180686987 KUPFJEJYHRFOFA-WMADIVHISA-N 303.383 3.440 10 10 DGCE Cc1nn(C)c(C)c1C[C@H](C)N[C@H](C)c1cc(F)ccc1O 185560072 MZWGWLUOXWTRQT-WDEREUQCSA-N 305.397 3.163 10 10 DGCE COC[C@@H](N[C@H](C)c1cc(OC)ccc1O)c1ccccc1 186034633 OKPUNASCMZQKHG-CXAGYDPISA-N 301.386 3.439 10 10 DGCE Cc1cc(Br)cc([C@@H](C)NCc2ccnn2C)c1O 186992291 QJVFRKODTQLSCB-SNVBAGLBSA-N 324.222 3.047 10 10 DGCE CC(=O)Nc1cccc(CN[C@@H](C)c2ccc(F)c(F)c2O)c1 191203398 HBWIDQOGOKUABY-JTQLQIEISA-N 320.339 3.480 10 10 DGCE Cc1cnc(CNC(=S)Nc2cc(C)ccc2N)c(C)c1 244036202 SVXHCUDACPYKSQ-UHFFFAOYSA-N 300.431 3.076 10 10 DGCE COC[C@@H](C)CN(C)Cc1cc(Br)cc(C)c1O 311009630 XBUBWXFOHYCOSJ-JTQLQIEISA-N 316.239 3.177 10 10 DGCE C[C@@H](O)c1ccc(N(C)C(C)(C)CCO)c(Br)c1 689839204 YBHHLWYLGNKQDS-SNVBAGLBSA-N 316.239 3.100 10 10 DGCE COc1ccc(N(C)CCOCCOc2ccccc2)cc1F 757851569 MLNXJKVZTSVUBV-UHFFFAOYSA-N 319.376 3.366 10 10 DGCE COc1cccc(O)c1CN1CCC(C2CCOCC2)CC1 769504262 RXGWXWIPPGRMPG-UHFFFAOYSA-N 305.418 3.039 10 10 DGCE COC(=O)/C=C\c1ccc(N2CCCC3(CC3)C2)c([N+](=O)[O-])c1 770228216 ORLPDELIIPIFAF-XQRVVYSFSA-N 316.357 3.161 10 10 DGCE OC[C@H](NCc1cc(Cl)cc(F)c1O)c1ccsc1 770668163 KLLNJAWBLGKZHS-LBPRGKRZSA-N 301.770 3.069 10 10 DGCE COc1ccc(O)c([C@H](C)NCc2csc([N+](=O)[O-])c2)c1 775370569 WHBIZFJNEQRGAZ-VIFPVBQESA-N 308.359 3.221 10 10 DGCE CNC(=O)C[C@@H](NCc1cccc(Cl)c1O)c1ccccc1 796035999 FKHBXJQUAXGFMU-OAHLLOKOSA-N 318.804 3.013 10 10 DGCE CC[C@@H](NCCc1c(C)nn(C)c1C)c1ccc(F)cc1O 796685671 ZPTCEYWLWBCRNJ-MRXNPFEDSA-N 305.397 3.165 10 10 DGCE Cc1cc(O)c(CNCCCNc2ccccn2)c(Cl)c1 840904266 ICMUJMZXHQFZLL-UHFFFAOYSA-N 305.809 3.341 10 10 DGCE Cc1nccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)n1 841494400 AVLWLOYYCOIFCI-LCYFTJDESA-N 319.455 3.319 10 10 DGCE C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1cc2n(n1)CCCC2 842836028 MDRGWWXGTJIGFF-CYBMUJFWSA-N 316.424 3.275 10 10 DGCE COc1cccc([C@@H](C)N[C@@H](C)Cc2c(C)nn(C)c2C)c1O 846143438 BTNFWBKSJXKJCA-NWDGAFQWSA-N 317.433 3.033 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CCO[C@@](C)(C3CC3)C2)c1O 852322405 IULQPQGIYCHOIY-QGZVFWFLSA-N 323.820 3.249 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)c3cc(C)cs3)C2)cc1 855227816 ZNYXHKCLEDBWPY-ZDUSSCGKSA-N 316.426 3.074 10 10 DGCE Cc1ccc(O)c(CNC(=O)[C@H](C)Cn2ncc3ccccc32)c1 862755977 OMEBFRFNNIBBTR-CQSZACIVSA-N 323.396 3.003 10 10 DGCE Cc1cc(N)cc(NC(=O)NCc2ccc3c(c2)CCCN3C)c1 868194193 MLJRORJLTXGJJN-UHFFFAOYSA-N 324.428 3.281 10 10 DGCE CC[C@H](NC(=O)N[C@H](C)c1ccccc1O)[C@H]1CCCCO1 868754255 HLIQCOPCJIGJTJ-IVMMDQJWSA-N 306.406 3.100 10 10 DGCE O=C(NCc1c(O)cccc1F)Nc1nc(C2CC2)cs1 902944578 JONWEACXBMXEKH-UHFFFAOYSA-N 307.350 3.187 10 10 DGCE C[C@@H]1CNC[C@H]1CCN[C@H](C)c1cccc(C(F)(F)F)c1O 925803572 RGZDDXORFROSGP-IJLUTSLNSA-N 316.367 3.307 10 10 DGCE CCN(C)c1ccc([C@@H](C)NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)cc1 926940817 WORSJIBMCZPWNE-XZKMEQPCSA-N 300.446 3.384 10 10 DGCE C[C@@H](N[C@H]1C[C@@](CO)(c2ccccc2)C1)c1c(O)cccc1F 927155881 LYIHXCICMMVEMW-MUKKUYKPSA-N 315.388 3.275 10 10 DGCE Cc1cc(CN2CCC[C@H]2Cc2ccnn2C)ccc1N(C)C 1198820867 MPAYFAMZHVLBQM-SFHVURJKSA-N 312.461 3.002 10 10 DGCE c1ccc(CN2CC[C@H](NCc3ccc4c(c3)CCCO4)C2)cc1 1199013625 NRCGMLSEFHBDKV-FQEVSTJZSA-N 322.452 3.376 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)CC[C@H]1CC(C)(C)CO1 1265094103 PYVBPXDTQWPQJY-KRWDZBQOSA-N 318.461 3.273 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CO[C@H](C3CC3)C2)cc1 1287542656 OTPJOLFWBCELFF-MJGOQNOKSA-N 324.424 3.391 10 10 DGCE CCOc1ccc(N(C)Cc2cc(C(=O)OC)oc2C)cc1 1460736873 LRYJQBKCMAMDSV-UHFFFAOYSA-N 303.358 3.410 10 10 DGCE COc1cccc(CNC(=O)C/C=C\Cc2ccccc2)c1O 1566374209 YRSASUUSDMTEPL-WAYWQWQTSA-N 311.381 3.206 10 10 DGCE CCC(=O)Nc1cccc(C(=O)N[C@H](C)c2ccccc2O)c1 1632247279 XMMXWJZJINCLQR-GFCCVEGCSA-N 312.369 3.232 10 10 DGCE O=C(NCc1cccc(Cl)c1O)c1ccc(F)c(F)c1F 1637227137 OZEIZUYJUJVXBV-UHFFFAOYSA-N 315.678 3.393 10 10 DGCE c1cc2c(cc1CCNCc1ccc3c(c1)CCCO3)CCO2 1662208804 UAOYLKDKXZBJJB-UHFFFAOYSA-N 309.409 3.279 10 10 DGCE CCc1nnc(N(C)Cc2ccccc2O)n1CC1(C)CCC1 1694636702 HFEAKDRGGMSTTN-UHFFFAOYSA-N 314.433 3.373 10 10 DGCE C[C@H]1CCO[C@H]1CCNCc1cccc(Br)c1O 1918153002 OJJNOIOYUSTXJF-GWCFXTLKSA-N 314.223 3.059 10 10 DGCE CN[C@@H](c1ccccc1O)C1(NC(=O)OC(C)(C)C)CC=CC1 1923423112 IJQDYYVJARRUKE-HNNXBMFYSA-N 318.417 3.266 10 10 DGCE CN[C@H](c1ccccc1O)[C@H]1CCCCN1C(=O)OC(C)(C)C 1936985109 ZYVBYXASHVXHEH-GDBMZVCRSA-N 320.433 3.442 10 10 DGCE Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)NCCN=[N+]=[N-] 1963816251 GJUWMVQCMQAODA-UHFFFAOYSA-N 319.365 3.382 10 10 DGCE COc1ccc(Br)c(CN[C@@H](C)CSC)c1O 1964046873 XMWTYXZPHGQQRY-QMMMGPOBSA-N 320.252 3.004 10 10 DGCE C[C@@H](C[C@H](O)c1ccc2c(c1)CCN2C)NC(=O)OC(C)(C)C 1977939037 NDHLIZGSVZREEH-LRDDRELGSA-N 320.433 3.016 10 10 DGCE CN(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1ccc(N)cc1 1977965209 FSCDYMFRHNSBTP-INIZCTEOSA-N 319.449 3.495 10 10 DGCE Cc1ccc(CN[C@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)c(O)c1 1994456430 LRMUUKPVUWFIHL-HIFRSBDPSA-N 320.433 3.188 10 10 DGCE O=C(CC[C@@H]1CCCOC1)NCc1c(O)ccc2ccccc12 2062701705 BNQNDVYRRYOVIJ-AWEZNQCLSA-N 313.397 3.368 10 10 DGCE COC(=O)c1cc(C2CCCC2)nn1Cc1cccc(F)c1O 2069863343 ZHITVKYGWYDXTC-UHFFFAOYSA-N 318.348 3.220 10 10 DGCE COc1ccc([C@H](C)n2nc(C(C)C)cc2CN(C)C)c(O)c1 2070133663 GVVYYKXNAMGTCU-ZDUSSCGKSA-N 317.433 3.392 10 10 DGCE Cc1noc(C)c1CN(C)c1ccc(CN)cc1Br 2114173288 ROIVLYAYMSQWKG-UHFFFAOYSA-N 324.222 3.149 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@H]1C[C@@H]2CC[C@H](C1)O2 2124956301 VJJPHRPMFQCQJE-CNDDSTCGSA-N 302.201 3.499 10 10 DGCE COc1cc(Cl)cc(CNC[C@@]2(Cl)CC2(F)F)c1O 2140628299 SMHXKRSCEJFYRK-NSHDSACASA-N 312.143 3.160 10 10 DGCE C[C@H](N)c1ccc(N2CCOC[C@@H]2C(F)(F)F)c(Cl)c1 2150373435 MPNXLVFYJYPKJF-QPUJVOFHSA-N 308.731 3.127 10 10 DGCE CN(Cc1c(O)cccc1Cl)CC(F)(F)[C@H]1CCOC1 2185333932 HMAFLTHVQCTLHD-JTQLQIEISA-N 305.752 3.149 10 10 DGCE CC[C@H](C)NCc1cnc(Sc2n[nH]c(C3CC3)n2)s1 2239999438 HQFAMHZZBOLWSS-QMMMGPOBSA-N 309.464 3.178 10 10 DGCE CCN(C(=O)[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(N)cc1 2249021456 VVYOTBWDXPDANA-QGZVFWFLSA-N 323.440 3.144 10 10 DGCE CSc1ncc(CNc2cc(OC(C)(C)C)ncn2)s1 2284629821 KGAYOAVYCJOUKR-UHFFFAOYSA-N 310.448 3.444 10 10 DGCE Cc1cccn2c(N=Nc3ccc(C(=O)O)cc3)c(C(=O)O)nc12 2320768089 VOAFKLGWGJJVQD-UHFFFAOYSA-N 324.296 3.455 10 10 DGCE CCP1(=O)CCC(Sc2nccs2)(C(=O)O)CC1 2327015130 QWUWUJJVNOSADT-UHFFFAOYSA-N 305.361 3.235 10 10 DGCE Cc1ccc(CN[C@H](C)c2ccon2)c(O)c1Br 2327792971 PYETWKPERKAWNE-SECBINFHSA-N 311.179 3.302 10 10 DGCE COc1ccc(N(Cc2nnnn2C(C)C)[C@H](C)C2CC2)cc1 111236759 YQOWIGWPRMKAJF-CYBMUJFWSA-N 315.421 3.068 10 10 DGCE COCC(C)(C)N(C)c1ccc([C@H](C)N)cc1Br 310825477 KOWGRQDYMWNLDR-JTQLQIEISA-N 315.255 3.330 10 10 DGCE COc1ccc(CNC[C@@H](C)N(C)C(=O)OC(C)(C)C)cc1C 304275701 LFSIRAJSJULHBZ-CQSZACIVSA-N 322.449 3.349 10 10 DGCE O=C1CC[C@@H]2CN(Cc3cc([N+](=O)[O-])ccc3O)c3cccc1c32 184803076 KYPHSPPVWUHBLR-LLVKDONJSA-N 324.336 3.381 10 10 DGCE Nc1ccc(OCC(=O)Nc2c(F)cc(F)cc2Cl)cc1 123810948 BCYXHFYHILPNQS-UHFFFAOYSA-N 312.703 3.218 10 10 DGCE CSC[C@H](C)N(C)c1c(F)cc(/C=C/C(=O)O)cc1F 124269296 FLRKPHCCWVMEOC-MOVJSRMASA-N 301.358 3.250 10 10 DGCE CCN(CC)c1ccc(CN[C@H](COC)C2CCOCC2)cc1 187795637 LAJJMGJIEHJGHT-LJQANCHMSA-N 320.477 3.064 10 10 DGCE COc1ccccc1[C@H](O)CN[C@@H](C)c1cc(Cl)ccc1O 185096537 BQROGVWEIKDTRE-MEDUHNTESA-N 321.804 3.438 10 10 DGCE Cc1nc(CN(C)c2ccc(/C=C\C(=O)O)cc2C)cs1 220122476 KOXKEOYCIYIMHK-ALCCZGGFSA-N 302.399 3.494 10 10 DGCE CN(Cc1ccccc1O)C(=O)N[C@H]1[C@@H]2c3ccccc3CC[C@H]21 246745965 XBZAUOYMKZOTHC-BHIYHBOVSA-N 322.408 3.262 10 10 DGCE COc1cc(NC(=O)c2ccc(O)c(O)c2)c(OC)cc1Cl 244226585 WCZPYQPXJRGFOD-UHFFFAOYSA-N 323.732 3.021 10 10 DGCE CCOc1cccc(CN[C@H]2COc3ccc(F)cc3C2)c1O 288501038 ICMKJYHVAPTNBC-OAHLLOKOSA-N 317.360 3.023 10 10 DGCE Nc1ccc(OCCNc2cc(C(F)(F)F)ns2)cc1 2162477177 SXBXWBJUHZAEJJ-UHFFFAOYSA-N 303.309 3.235 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)c1cccs1 808096217 DTZYDMZAIHTLCB-NSHDSACASA-N 310.415 3.359 10 10 DGCE COc1ccc(O)c(CN[C@@H](c2ccccc2)[C@@H](O)C(C)C)c1 827525604 BIZFDDMMESFDAA-OALUTQOASA-N 315.413 3.249 10 10 DGCE Nc1ccc(CCNC(=O)N2CCC[C@@]3(CC=CCC3)C2)cc1 841955083 ULSSVFYBWLXAIO-IBGZPJMESA-N 313.445 3.343 10 10 DGCE COc1ccc(N(CC(C)C)C(=O)/C=C\c2cnccn2)cc1 918156247 OQIHRUAOFZNBQH-WTKPLQERSA-N 311.385 3.188 10 10 DGCE COc1cccc([C@H](C)NCCC[C@H]2CCCC[C@H]2O)c1O 846156917 PWPLGXOMKPXPPE-SQWLQELKSA-N 307.434 3.383 10 10 DGCE CC(=O)c1cc(F)cc(CN2CCC[C@]3(CCCOC3)C2)c1O 750837214 IMZLEFNKDICVNY-SFHVURJKSA-N 321.392 3.127 10 10 DGCE Oc1ccc(-c2ccccc2)cc1CN[C@H]1C[C@@H](O)C12CCC2 850388280 KQSZXONWBVNWOT-RBUKOAKNSA-N 309.409 3.452 10 10 DGCE CN(Cc1ccccc1O)C(=O)N[C@H]1CCCc2cccnc21 927384951 DJWCXFKGLUOMDP-HNNXBMFYSA-N 311.385 3.006 10 10 DGCE CC(C)[C@H](NCc1ccc(N2CCC(O)CC2)cc1)C1CC1 850566512 OOIQCXRRRPKPQZ-IBGZPJMESA-N 302.462 3.172 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]23)c1 852562406 AUNMVXXLTPWPKZ-RSUWNVLCSA-N 318.417 3.197 10 10 DGCE Nc1ccc(CC[C@@H](O)Cc2ccc(Br)o2)cc1 695806532 QAWFXDOBXRJKEM-GFCCVEGCSA-N 310.191 3.161 10 10 DGCE COc1cccc(CN[C@H](C)[C@H]2Oc3ccccc3[C@H]2C)c1O 752264446 DLZPWGNGITXKRC-VPZZIHKRSA-N 313.397 3.444 10 10 DGCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H]2CC23CC3)c1 862036552 ZEGPDHURVVSRMT-KRWDZBQOSA-N 308.381 3.189 10 10 DGCE Oc1cccc(Cl)c1CN(Cc1ccccc1)C1CNC1 1955484395 YKSFAQBXYVEMLM-UHFFFAOYSA-N 302.805 3.020 10 10 DGCE COc1cc(N2CC3(CCC3)C[C@@H]2C)c([N+](=O)[O-])cc1OC 763035728 MOTOSLMQIWPSOR-NSHDSACASA-N 306.362 3.381 10 10 DGCE COc1c([N+](=O)[O-])ccc(CN(C)Cc2ccc(F)cc2)c1O 774821646 DWOQQOOFRWSGLO-UHFFFAOYSA-N 320.320 3.080 10 10 DGCE CC(=O)C(C)(C)CCC(=O)NCCCSc1nccs1 772709801 VQAIRCIYFIPYGZ-UHFFFAOYSA-N 314.476 3.137 10 10 DGCE CN(Cc1csc(C(F)(F)F)n1)Cc1ccccc1O 891713477 FZAPDGSNCKNGLC-UHFFFAOYSA-N 302.321 3.500 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CN(c2ccc(N)cc2)CC1(C)C 1959532615 PCVMLPKUIVVLRR-AWEZNQCLSA-N 305.422 3.008 10 10 DGCE C[C@H](COCc1ccccc1)NCc1cc(F)cc(F)c1O 708555063 KYACDGXDJGHCFJ-GFCCVEGCSA-N 307.340 3.365 10 10 DGCE CCN(Cc1cc(Br)cc(F)c1O)[C@H](C)COC 715723769 HDRMRUJMFLSHOZ-SECBINFHSA-N 320.202 3.151 10 10 DGCE C[C@@H](NC1CC(OCc2ccccc2)C1)c1cc(O)ccc1O 716297164 OSMKRZVZQVQHJD-BZOOQXSSSA-N 313.397 3.496 10 10 DGCE CC(C)N(C)c1cccc(NC(=O)c2c(F)ccc(O)c2O)c1 1457620778 TWFJARWCVKJLMC-UHFFFAOYSA-N 318.348 3.334 10 10 DGCE Cc1ncccc1CC(=O)N(C)Cc1ccc(N2CCCC2)cc1 1539467858 GIESHQCIHMCCDQ-UHFFFAOYSA-N 323.440 3.191 10 10 DGCE c1cn2cc(CNCc3ccc(N4CCCC4)cc3)nc2s1 1473962384 FREZWIZTUHKOPZ-UHFFFAOYSA-N 312.442 3.286 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2ccc(Cn3cccc3)cc2)c1 1470255461 VVTVQXXZNSIVGJ-UHFFFAOYSA-N 320.392 3.480 10 10 DGCE O=C(NCc1cccc(Cl)c1O)c1cccc2[nH]ccc12 1558756939 IKETVZZMTUDTPC-UHFFFAOYSA-N 300.745 3.457 10 10 DGCE COc1ccc(CN2CC[C@@H](N=[N+]=[N-])C2)cc1Br 1912185666 TYEVRZQGAOAWTI-SNVBAGLBSA-N 311.183 3.342 10 10 DGCE COc1cccc2c1C(=O)c1ccc3c(c1C2=O)C(=O)C[C@H](C)C3 13889780 ZUCWNLVDTXGGSU-SNVBAGLBSA-N 320.344 3.236 10 10 DGCE biogenic Cc1cc(C)c(O)c(CN2CC[C@H]3CC[C@@H](C2)N3C(C)C)c1 164436385 UBSZJNCSIFGSDO-MSOLQXFVSA-N 302.462 3.456 10 10 DGCE COc1cc(NN=NCc2ccccn2)cc(OC)c1OC 1860493792 CJZCHDBTSAWBEX-UHFFFAOYSA-N 302.334 3.087 10 10 DGCE CC(C)(C)OC(=O)N[C@@H](CNCc1ccc(N)cc1)C(C)(C)C 1900266150 NRASRLLBGZNMGI-HNNXBMFYSA-N 321.465 3.298 10 10 DGCE COC1CC(N(C)c2ccc([C@H](C)O)cc2Br)C1 1914782870 PKGFQKPDCZUQPS-GCVQQVDUSA-N 314.223 3.116 10 10 DGCE CC(C)CN1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 112642520 ZNYJABYMDXMRIU-UHFFFAOYSA-N 317.260 3.473 10 10 DGCE CCc1cccc(CN[C@H]2CCCC3(CC2)OCCO3)c1O 1967794669 RSIZGLUZIFDBIT-INIZCTEOSA-N 305.418 3.120 10 10 DGCE CC[C@@H]1[C@@H]2CNC[C@H]2CN1Cc1cc(Cl)cc(Cl)c1O 251730892 SLWMVUAJCISCEV-ZKYQVNSYSA-N 315.244 3.129 10 10 DGCE CC[C@@]1([C@@H](N)c2ccccc2O)CCN(C(=O)OC(C)(C)C)C1 1936970334 KZZIDXCWWXVPRG-MAUKXSAKSA-N 320.433 3.429 10 10 DGCE CNCc1ccc(N(C)[C@@H]2CCSC2)c(Br)c1 234413994 BQVWIVQFCDHURZ-LLVKDONJSA-N 315.280 3.110 10 10 DGCE Oc1c(F)cc(Br)cc1[C@@H]1CC(F)(F)CCN1 1952379909 BQCCGXDRRGEECO-VIFPVBQESA-N 310.113 3.354 10 10 DGCE Cc1cc(O)c([C@H]2CN(C(=O)OC(C)(C)C)CCCN2)cc1C 1952972141 RXPIXXBFFVKDAE-OAHLLOKOSA-N 320.433 3.281 10 10 DGCE Nc1ccc(OC[C@H](O)CSCc2ccc(Cl)o2)cc1 2145628488 MFDIXCIORVFNDZ-NSHDSACASA-N 313.806 3.188 10 10 DGCE Cc1ccc(CN[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)c(O)c1 1994456852 RLYSSTFXVOTFHF-APWZRJJASA-N 310.441 3.453 10 10 DGCE CC(C)(C)OC(=O)NC(C)(C)[C@@H]1CCN(c2ccc(N)cc2)C1 1994520021 FQQOHAZBHINIGE-CYBMUJFWSA-N 319.449 3.398 10 10 DGCE C[C@H](O)c1ccc(N2CC(CCF)C2)cc1Br 1996951195 YBUIJMHQZVTOCJ-VIFPVBQESA-N 302.187 3.298 10 10 DGCE C[C@H]1N(Cc2ccccc2)CC[C@]1(O)c1ccc2c(c1)CCN2C 1999511318 DNAQFEPFMUJINY-IIBYNOLFSA-N 322.452 3.161 10 10 DGCE Cc1n[nH]cc1NCc1cc(Cl)cc(Br)c1O 2013576812 VTBFODCTNSRITO-UHFFFAOYSA-N 316.586 3.452 10 10 DGCE CCNCc1ccc(N2CC[C@](C)(F)C2)c(Br)c1 2034880280 CHHOBSNFMJMCQL-AWEZNQCLSA-N 315.230 3.497 10 10 DGCE Cc1ccnc(CNCc2c(O)cccc2Br)c1 706855747 OLFUYVWDUHUKDL-UHFFFAOYSA-N 307.191 3.148 10 10 DGCE Cc1cc(Br)cc(CN2CCOCC[C@H]2C)c1O 368131036 ISFOYPYBRZLYHL-LLVKDONJSA-N 314.223 3.074 10 10 DGCE COCCNCc1ccc(N2CCC[C@H]2CF)c(Cl)c1 2171805658 PXJYBWOETVHUFS-ZDUSSCGKSA-N 300.805 3.014 10 10 DGCE NCc1ccc(N2CCO[C@H](c3ccsc3)C2)c(Cl)c1 2171860910 VRNXIEVXPOMZDQ-HNNXBMFYSA-N 308.834 3.438 10 10 DGCE Oc1cc(Br)ccc1CNC1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 691455824 RJGXVQWALQMTPS-QYAIJTBZSA-N 308.219 3.289 10 10 DGCE CCCN[C@H](C)c1ccc(N(C)CC[S@@](C)=O)c(Cl)c1 398986572 DHBAUIVHNPFJNZ-MPBGBICISA-N 316.898 3.215 10 10 DGCE CCOC1CC(CN(C)c2cc(Cl)c(CN)cc2F)C1 2177381718 QEJJVSHBELFAFO-UHFFFAOYSA-N 300.805 3.189 10 10 DGCE C[C@@H](N)c1ccc(N(C)[C@H](CCO)C(F)(F)F)cc1Cl 2178510086 CHORKKHUCWAPON-PRHODGIISA-N 310.747 3.109 10 10 DGCE CC[C@H]1C[C@@H](N(C)c2cc(Cl)c(CN)cc2F)CCO1 2182949287 FYRINBDKGWMBJV-RYUDHWBXSA-N 300.805 3.332 10 10 DGCE CC(C)n1ncc(Br)c1NCc1ccc(N)cc1 2044158912 PZMVXRVJCRMBEA-UHFFFAOYSA-N 309.211 3.421 10 10 DGCE C[C@H](O)c1cc(F)c(N2CC[C@@H](P(C)(C)=O)C2)c(F)c1 2194523156 MRZHJPMZOSJZOM-GXSJLCMTSA-N 303.289 3.220 10 10 DGCE CN(C[C@@](C)(F)C(F)(F)F)c1c(F)cc(CN)cc1F 2191870457 ZPGXZSVYSXYUFZ-LLVKDONJSA-N 300.246 3.150 10 10 DGCE CC[C@@H](CN(C)Cc1cc(Br)cc(C)c1O)OC 2068248656 HMBGGDQIVKIPAR-ZDUSSCGKSA-N 316.239 3.320 10 10 DGCE COC(C)(C)[C@H]1CCCN1c1cc(Cl)c(CN)cc1F 2203035534 LOGRCESAYZZZAV-CQSZACIVSA-N 300.805 3.332 10 10 DGCE C[C@H](O)c1ccc(N2CC[C@@H]3C[C@]3(F)C2)c(Br)c1 2222656524 CJEQQWRLDBTDJW-PXWWUCIGSA-N 314.198 3.441 10 10 DGCE CCCN(C[C@H](C)O)c1ccc([C@H](C)N)c(Br)c1 2259722726 SMHKUKOEKFRXAF-QWRGUYRKSA-N 315.255 3.066 10 10 DGCE COC(=O)c1cnc(SC[C@H](CC(C)(C)C)OC)s1 2271716575 GMCDCOYMEBJZSQ-VIFPVBQESA-N 303.449 3.473 10 10 DGCE CC(=CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)c1ccccc1 2308464820 WMXRPGZIVVLCJG-AWEZNQCLSA-N 311.381 3.249 10 10 DGCE Cc1ccc(CN(C)[C@H]2CO[C@@H](C)C2)c(O)c1Br 2327579857 AKLFVVKBTYWJRQ-CMPLNLGQSA-N 314.223 3.072 10 10 DGCE CSc1ncc(CNCc2snnc2C2CCC2)s1 2336006727 KLRVQSFNFGTCKT-UHFFFAOYSA-N 312.489 3.274 10 10 DGCE CCc1cnccc1CNCc1cc(Br)ccc1O 2340224210 FXOWTHUOUYTFDQ-UHFFFAOYSA-N 321.218 3.402 10 10 DGCE CN(C)c1ccc(-c2nccn2Cc2ccccc2C(=O)O)cc1 82736877 KCQWRUHNLZNQOW-UHFFFAOYSA-N 321.380 3.363 10 10 DGCE COc1cccc(CN2CCCC[C@@H]2c2cccn2C)c1O 93845473 ZHYGBIJADGSJIG-MRXNPFEDSA-N 300.402 3.467 10 10 DGCE Cc1nc([C@H](NCc2ccccc2O)c2ccccc2F)no1 114773728 HCTIUXSRACTANL-MRXNPFEDSA-N 313.332 3.102 10 10 DGCE O=C(Nc1ccccc1Br)c1cccc(O)c1O 126171830 MTNVZMUYWKQAGA-UHFFFAOYSA-N 308.131 3.113 10 10 DGCE Cc1nn(C)cc1NC(=O)c1cc(C)n(-c2ccccc2)c1C 172854050 WQHGONYTAPISPS-UHFFFAOYSA-N 308.385 3.388 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCCc2ccccc21 180588684 HTOFSFLZQXCOJH-SOGBHIHOSA-N 309.365 3.305 10 10 DGCE CCOc1ccc(O)c(CNc2cccc3c2OCC[C@@H]3O)c1 184079683 ZIWAOAXFZSZMNO-KRWDZBQOSA-N 315.369 3.219 10 10 DGCE C[C@H](c1cc(Br)ccc1O)N1C[C@@H]2CC[C@H](C1)O2 211683724 OTWXQVKMONAXJM-JLLWLGSASA-N 312.207 3.079 10 10 DGCE NCc1ccc(N2C[C@@H]3CCC[C@H]3C2)c(F)c1Br 231840473 KTXWNPRZLJHPIH-QWRGUYRKSA-N 313.214 3.283 10 10 DGCE Cc1cc(O)c(CN2C[C@H](c3ccsc3)[C@@H](CO)C2)cc1C 249527587 ADGCBVIRTXJVOY-IAGOWNOFSA-N 317.454 3.278 10 10 DGCE CN[C@@H]1C(=O)Nc2cc(N3CC[C@@H](C)[C@H](C)C3)c(Cl)cc21 253071035 MWFQSDJDKFLUPH-FCHSOHFDSA-N 307.825 3.035 10 10 DGCE Cc1cc(/C=C\C(=O)N2CCC[C@H](O)C2)c(C)n1-c1ccccc1 255711628 HFEWPNAZVQQFBN-GDWUOILNSA-N 324.424 3.091 10 10 DGCE COCCNCc1ccc(N2CC[C@@H](SC)C2)cc1Cl 382954782 MMYVMGMZZXOTPR-CQSZACIVSA-N 314.882 3.018 10 10 DGCE Cc1ccc(O)c([C@H](C)NC[C@@H]2c3ccccc3C(=O)N2C)c1 527998707 AAFXYGBTZSQAHL-SUMWQHHRSA-N 310.397 3.178 10 10 DGCE C[C@H](NCc1c(O)cccc1Br)[C@@H]1CCCCO1 706821751 OKMRWYNJGYBZFL-HZMBPMFUSA-N 314.223 3.202 10 10 DGCE COC(=O)/C(C)=C/CN(Cc1ccco1)Cc1ccccc1O 748818729 XNZGUUOPXBSLIK-NTEUORMPSA-N 315.369 3.107 10 10 DGCE Cc1cc(CCNC2CCN(C)CC2)c(C)n1-c1ccccc1 761571334 ICQGBAOTUCLGMV-UHFFFAOYSA-N 311.473 3.320 10 10 DGCE C[C@@H](N[C@@H]1CCn2ccnc21)c1ccc(Br)cc1O 834833216 VZHDFQYBSJCHLX-BXKDBHETSA-N 322.206 3.147 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC[C@H]1C1CC1 840484121 MXZBPHIQLJGELQ-KDOFPFPSSA-N 315.461 3.186 10 10 DGCE CCCN(CCC)c1ccc(CN[C@H]2CCNC[C@H]2C)cc1 841064652 RZOQSUQLHPACPZ-APWZRJJASA-N 303.494 3.401 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCC[C@H]([C@@H]3CCCN3)C2)cc1 843044011 FYGKEOANWVZRNV-IUWYBMQSSA-N 313.489 3.230 10 10 DGCE Oc1cc(F)c(Cl)cc1CN[C@@H](C1CCOCC1)C1CC1 846042702 NXCATQGGBQBFJT-MRXNPFEDSA-N 313.800 3.480 10 10 DGCE Cc1ccncc1CCNCc1cc(Br)ccc1O 850355062 CNHZOBHQLODLOL-UHFFFAOYSA-N 321.218 3.190 10 10 DGCE COc1ccnc(CN[C@H](C)c2ccc(C)c(C)c2O)c1F 850538304 YHBMPKLMZQJAFA-GFCCVEGCSA-N 304.365 3.403 10 10 DGCE CC(C)(C)O[C@@H]1C[C@@H](NC(=O)c2cc(O)cs2)C12CCC2 855922783 RDQZIIKQPUVLOY-CHWSQXEVSA-N 309.431 3.310 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)NC[C@@H]1CCCC12CC2 859012579 SFECJBZRLDWDFV-LBPRGKRZSA-N 308.809 3.425 10 10 DGCE COC(=O)C1C[C@@H](C)N(Cc2ccc(N(C)C)c(C)c2)[C@H](C)C1 860189864 MOFXPKJUPSSTBM-HUUCEWRRSA-N 318.461 3.223 10 10 DGCE Cc1cc(O)c(CNCc2nn(C)cc2C(F)F)c(Cl)c1 865807616 NWTKBKFELMPZKB-UHFFFAOYSA-N 315.751 3.315 10 10 DGCE C[C@@H](NC(=O)NCC[C@]1(C)C[C@@]1(F)Cl)c1ccccc1O 868742846 DSSMXMDXTMCUMU-KMUNFCNLSA-N 314.788 3.457 10 10 DGCE C[C@@H]1Oc2ccccc2CN(Cc2ccc(N(C)C)cc2)C1=O 888104535 AMVIQMIRPZOQDS-AWEZNQCLSA-N 310.397 3.062 10 10 DGCE CC(=O)c1cc(Cl)cc(CN[C@@H]2CCOC23CCCC3)c1O 934394248 FNCSMEOVBZNPBF-OAHLLOKOSA-N 323.820 3.440 10 10 DGCE Cc1cncc(/C=C\C(=O)N2CCOc3c(F)cc(F)cc32)c1 1130638886 RVPKFVOHYYVLDN-IHWYPQMZSA-N 316.307 3.107 10 10 DGCE CN(Cc1ccccc1O)C(=O)Cc1cccc2cnccc12 1149872336 ZUIBOVVLZXBNSD-UHFFFAOYSA-N 306.365 3.142 10 10 DGCE COCCN(Cc1ccc(C)c(C)c1)C(=O)c1cc(O)cs1 1303731182 SFLBHZMPKQBLCK-UHFFFAOYSA-N 319.426 3.359 10 10 DGCE C[C@@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)C(C)(C)C 1326791099 OUYFHPOSZASDDV-CQSZACIVSA-N 307.457 3.102 10 10 DGCE CC[C@@H]1CC[C@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)O1 1352614319 AGNBSQMZRNAVER-QZTJIDSGSA-N 316.445 3.203 10 10 DGCE CCc1oc(C(=O)OC)cc1CN(C)c1ccc(OC)cc1 1473613790 ZXUZFWXZTJWNEZ-UHFFFAOYSA-N 303.358 3.274 10 10 DGCE O=C(NCc1cc(O)ccc1O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 1593872967 IOSQOZICKDGRTF-APHBMKBZSA-N 303.402 3.321 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)NCC[C@H](C)N(C)C 1629042571 NYLSGXPYPWZFRD-LBPRGKRZSA-N 319.474 3.226 10 10 DGCE COc1cc(NC(=O)c2cc(O)cs2)cc(OC)c1Cl 1638796800 CNAXHQHAUCSLIZ-UHFFFAOYSA-N 313.762 3.377 10 10 DGCE CC(=O)Nc1cccc(C(=O)N[C@H](C)c2ccccc2O)c1C 1642827572 LSAQMNRLQNJDOR-GFCCVEGCSA-N 312.369 3.150 10 10 DGCE CCCCNc1ccccc1C(=O)NCc1cc(O)ccc1O 1651222434 FISGXJCAPZKLRP-UHFFFAOYSA-N 314.385 3.240 10 10 DGCE CCCCOC(=O)[C@@H](C)N1CCCc2cc(OC)cc(OC)c21 1654741696 MWKQJLLUOZHJNY-CYBMUJFWSA-N 321.417 3.188 10 10 DGCE CCC1(C(=O)N[C@@H](C)CNCc2ccc(OC)c(C)c2)CCC1 1716449273 GNJPBZNXUGKMIJ-HNNXBMFYSA-N 318.461 3.178 10 10 DGCE COC[C@@H](C)NC(=O)CCn1c2c(c3ccccc31)CCCC2 1852446332 GOKXMYGUDSVZIP-CQSZACIVSA-N 314.429 3.061 10 10 DGCE CCCC1=NN(CC)C(=O)/C1=C/c1ccc(OCC)c(OC)c1 1865669782 XJWZVIPVDCWKEP-SDNWHVSQSA-N 316.401 3.496 10 10 DGCE Cc1cc(N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)ccc1CO 1909107053 DRARPSJGSICYJX-GHTZIAJQSA-N 322.452 3.198 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)c2cc(F)c(F)cc2Cl)C1 1912211622 YSBCEJRGYWYTNT-ZETCQYMHSA-N 300.696 3.391 10 10 DGCE CC(C)N(CC[C@H](N)c1ccccc1O)C(=O)OC(C)(C)C 1928469084 DKJLEDCFSHPLNJ-AWEZNQCLSA-N 308.422 3.428 10 10 DGCE CC(C)(C)OC(=O)N[C@](C)(C1CC1)[C@H](N)c1ccccc1O 1928476731 MHBVLFDVIALEAQ-RHSMWYFYSA-N 306.406 3.085 10 10 DGCE C[C@H]1[C@H](CNCc2c(O)cccc2Br)C1(F)F 1947973747 VIKZISIJBLQNTQ-CBAPKCEASA-N 306.150 3.146 10 10 DGCE CC(C)(C)OC(=O)N1CCCCC(=O)[C@@H]1c1c(N)cccc1O 1953068354 WKYRIFFJXFSOPO-OAHLLOKOSA-N 320.389 3.006 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](Nc3ccccc3N)C[C@@H]21 1959350534 DTPSBJZBZBVYDU-UGFHNGPFSA-N 303.406 3.079 10 10 DGCE Cc1cccc(O)c1CN[C@]12C[C@@H]1CN(Cc1ccccc1)C2 1976896838 PNMRWWBJQGBKHM-XLIONFOSSA-N 308.425 3.065 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CN(CCCCN=[N+]=[N-])CC12CCC2 1982245495 IJCYJSYZOFOFEQ-ZDUSSCGKSA-N 323.441 3.456 10 10 DGCE CN(CC1CC(F)C1)c1cc(Br)c(CN)cc1F 2031661341 WKTQQTWOIGFGDY-UHFFFAOYSA-N 319.193 3.231 10 10 DGCE CC[C@@H]1CCOC[C@H]1NCc1ccc(Br)cc1O 2035116462 AYRUCJQMAFRBIC-ZWNOBZJWSA-N 314.223 3.059 10 10 DGCE C[C@H](c1ccc(F)cc1O)n1nc(C2CCC2)cc1C(=O)O 2069856270 MBKSVNRXSJFRKX-SECBINFHSA-N 304.321 3.303 10 10 DGCE COc1cccc(O)c1[C@H](C)n1nc(C2CCCC2)cc1CO 2070185884 ATDYGQIYJMJRDH-LBPRGKRZSA-N 316.401 3.357 10 10 DGCE CCCN[C@@H](C)c1cnc(Sc2nc(C)cc(O)n2)s1 2159807479 LLODBYYRNVNFIY-VIFPVBQESA-N 310.448 3.159 10 10 DGCE CC(C)(C)O[C@@H]1CCN(c2cc(Cl)c(CN)cc2F)C1 2177379849 ANFAIKMPIYYPIM-LLVKDONJSA-N 300.805 3.332 10 10 DGCE COc1ccnc(Br)c1NCc1cc(C)ccc1O 2227170937 OOKSPMYXXJLKAF-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE COc1nc(Sc2nccs2)c(CNC2CCC2)s1 2231621422 NZQQTMUXGHNUMQ-UHFFFAOYSA-N 313.473 3.402 10 10 DGCE CN(Cc1ccc(N)cc1)C(=O)c1c(Cl)cncc1Cl 2235977609 TWEICLWRWIAODZ-UHFFFAOYSA-N 310.184 3.243 10 10 DGCE CCN[C@@]1(CO)CCCC[C@H]1CCSc1nccs1 2273067149 RAEVSNZYODEVDH-GXTWGEPZSA-N 300.493 3.156 10 10 DGCE CCN[C@@H](C)c1cnc(SCC2(OC)CCOCC2)s1 2280285834 LIXJLZJNHWJFLN-NSHDSACASA-N 316.492 3.101 10 10 DGCE O=C1NC(=S)SC1=Cc1ccc(F)cc1OC(F)(F)F 2305287230 YWFSWOHMTDTKSP-UHFFFAOYSA-N 323.292 3.213 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)Nc1ccccc1OC(F)F 2307982140 PKCYOCYWQOXJLO-UHFFFAOYSA-N 321.279 3.351 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc(-c2cc[nH]n2)cc1 2307990485 RVLGLUCKYIVUFT-UHFFFAOYSA-N 321.336 3.140 10 10 DGCE Cc1ccn2c(N=Nc3ccccc3O)c(CC(=O)O)nc2c1 2320768905 PBWUORZAYDWYKH-UHFFFAOYSA-N 310.313 3.391 10 10 DGCE Cc1ccc(CN2CCOC(C)(C)C2)c(O)c1Br 2327568652 SLBSGJDEYCTZBU-UHFFFAOYSA-N 314.223 3.074 10 10 DGCE Oc1cccc(Cl)c1CNCc1snnc1C1CCC1 2360884391 YFVFYOSMEFSECS-UHFFFAOYSA-N 309.822 3.454 10 10 DGCE Cc1cccc(CN=c2[nH]c(Cl)nc3cscc23)c1O 2361052293 GNZXHERIRHPBNV-UHFFFAOYSA-N 305.790 3.393 10 10 DGCE Oc1cc2c(cc1O)CN(c1ncc(Cl)cc1Cl)CC2 2366903769 OMQPZOXEJLATPH-UHFFFAOYSA-N 311.168 3.362 10 10 DGCE Nc1ccc(OCC(=O)N2CCC[C@H]2c2ccsc2)cc1 40327239 RRDOJLBIZZIZTN-HNNXBMFYSA-N 302.399 3.073 10 10 DGCE Cc1cccc2nc(CC(=O)O)c(/N=N\c3ccc(O)cc3)n12 71591027 XVLBYEVTQKJUTO-HNENSFHCSA-N 310.313 3.391 10 10 DGCE COC(=O)Cc1nc2c(O)cccn2c1/N=N\c1ccccc1C 71601930 QSEIQUQLEYFKIB-VXPUYCOJSA-N 324.340 3.479 10 10 DGCE CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/Nc1ccc(O)cc1 101148846 YEZRVRVAXQXWSY-GZTJUZNOSA-N 307.353 3.419 10 10 DGCE Cc1ccoc1CN(C)Cc1ccc(N2CCOCC2)cc1 121317857 DTBNKHGDFTZNJN-UHFFFAOYSA-N 300.402 3.057 10 10 DGCE CC(C)C(=O)N1CCC(N[C@H](C)c2cc(Cl)ccc2O)CC1 184982673 MMCCRTDSZPIWRC-GFCCVEGCSA-N 324.852 3.343 10 10 DGCE Cc1nn(C)c(C)c1CCCN[C@H](C)c1cc(F)ccc1O 186228156 YTXLJPTUIKVKGV-LLVKDONJSA-N 305.397 3.165 10 10 DGCE CCN[C@H](C)c1ccc(N2C[C@@H](N(C)C)[C@H](C)C2)c(Cl)c1 227226084 KKHUVWIGJPPGAY-PBFPGSCMSA-N 309.885 3.397 10 10 DGCE CC(C)NCc1ccc(N(C)[C@H](C)C[S@@](C)=O)c(Cl)c1 398878574 GGHBPZLUEZIWGX-MPBGBICISA-N 316.898 3.041 10 10 DGCE C[C@H](NCc1ccc(Br)cc1O)[C@@H]1CCCCO1 691467558 IEMDSQRDDNTSMM-HZMBPMFUSA-N 314.223 3.202 10 10 DGCE Cc1cc(N(C)C)ccc1CNc1nccnc1OC(C)C 762801212 LKMCCCMETVEKFK-UHFFFAOYSA-N 300.406 3.250 10 10 DGCE C/C=C\C[C@@H](NCc1cc(Cl)cc(C)c1O)C(=O)OCC 763361411 KILOWADIHMOZLM-KXQLTZBTSA-N 311.809 3.342 10 10 DGCE CCc1onc(C)c1C(=O)N(CC)Cc1ccc(N(C)C)cc1 772490884 MVOMKTBFOHITGJ-UHFFFAOYSA-N 315.417 3.274 10 10 DGCE C[C@H](NC(=O)C1(C(F)(F)F)CC1)c1ccc(N(C)C)cc1 773015486 PADPTSGKUPFGBJ-JTQLQIEISA-N 300.324 3.272 10 10 DGCE Cc1ccc([C@H]2CCN(Cc3cc4c(cc3O)OCO4)C2)cc1 784025010 JBGHRUOABLOCOI-HNNXBMFYSA-N 311.381 3.419 10 10 DGCE C[C@@H](NC(=O)c1cccc(O)c1O)c1ccc2ncsc2c1 790945309 JLXWFFGARXVASR-SECBINFHSA-N 314.366 3.199 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1C(F)(F)F)C[C@H](C)O 792810746 XQTKRMJEOUMJRQ-LBPRGKRZSA-N 318.383 3.363 10 10 DGCE COc1ccc2occ(C(=O)N(C)Cc3ccccc3O)c2c1 799689211 GTXWNBFPXFTRSU-UHFFFAOYSA-N 311.337 3.419 10 10 DGCE Cc1cc(O)c(CN(C)Cc2csc(C(C)(C)O)n2)cc1C 825153616 PPEJCXRTNFZYNZ-UHFFFAOYSA-N 320.458 3.325 10 10 DGCE CCO[C@@H]1C[C@@H](NCc2ccc(N(C)CC)cc2)[C@@H]1SC 830457069 XRDIYWMNWISBND-ZACQAIPSSA-N 308.491 3.141 10 10 DGCE CC[C@@H]1CN(CC)CCN1C/C=C/c1ccc(N(C)C)cc1 835054959 OMMYGPAUZARBMF-LKGOPFMKSA-N 301.478 3.182 10 10 DGCE CCO[C@@H]1C[C@@H](NCc2c(O)ccc(Cl)c2F)[C@@H]1SC 842768506 XXHHWOBFNGMFLG-QKCSRTOESA-N 319.829 3.183 10 10 DGCE CN(C)c1ccc(CNc2ccc([C@H]3CNCCO3)cc2)cc1 849351928 FUSXQGDKRNTLJB-LJQANCHMSA-N 311.429 3.026 10 10 DGCE Cc1cc(CN2CCO[C@H](CC(F)(F)F)C2)ccc1N(C)C 852741073 VSYVZKZVOQKPOW-CQSZACIVSA-N 316.367 3.214 10 10 DGCE COc1ccc(N2CC[C@H](Nc3cc(Cl)nc(C)n3)C2)cc1 853759271 QMTCWSCGZVJMDA-LBPRGKRZSA-N 318.808 3.138 10 10 DGCE C[C@H](N[C@@H]1CCN[C@H]1C)c1ccc(N2CCCCCC2)cc1 863547263 RBEAXJRGHPDLOS-TXPKVOOTSA-N 301.478 3.468 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@@H]2CCCCC[C@@H]2C(=O)O)cc1 904026615 XCQRXILANVUPCR-ZGKJDNBHSA-N 316.445 3.389 10 10 DGCE CC[C@H](C[C@](C)(O)CC)N[C@H]1CCN(c2ccc(OC)cc2)C1 926680256 LGGXNFSDSSFFTQ-JTDSTZFVSA-N 320.477 3.193 10 10 DGCE Cc1ccc([C@@H](C)NCc2cc(C(F)(F)F)nn2C)c(O)c1 926929326 UVZOEYBNHHEJSB-SNVBAGLBSA-N 313.323 3.304 10 10 DGCE Cc1cc(NC(=O)N2Cc3cccc(O)c3C2)nn1C(C)C 931779450 BMSDKQXYGNHOFD-UHFFFAOYSA-N 300.362 3.026 10 10 DGCE CC(C)Oc1ccc(NC(=O)Cc2ccc(O)c(O)c2)c(F)c1 1136468023 WUHCSUXGYIHNJK-UHFFFAOYSA-N 319.332 3.205 10 10 DGCE COC(=O)/C=C/c1ccc(N2CC(C)(C)C2(C)C)c([N+](=O)[O-])c1 1339890017 BOBSATLBHBHLSY-VQHVLOKHSA-N 318.373 3.406 10 10 DGCE CC[C@@H](C)CCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 1616858750 SLEUARWQWJGAPT-CRAIPNDOSA-N 319.493 3.298 10 10 DGCE C[C@H](CSc1ccccc1)C(=O)NCc1cc(O)ccc1O 1643881819 GRUPHZPMFJJQOY-GFCCVEGCSA-N 317.410 3.142 10 10 DGCE CCOc1ccc(N(CC2CC2)C[C@@H]2C[C@H]3COC[C@H]3O2)cc1 1654518159 HXPGHTSCZZVPJW-ZYSHUDEJSA-N 317.429 3.106 10 10 DGCE COc1ccc(CNC[C@]2(NC(C)=O)CCCC[C@H]2C)cc1C 1666043239 KBNRVCAYORXKFN-DNVCBOLYSA-N 318.461 3.178 10 10 DGCE Nc1ccc(OC(=O)Cc2ccc(Br)s2)cc1 1858953097 MUDRJHIESSEXFG-UHFFFAOYSA-N 312.188 3.241 10 10 DGCE CC1=NN(Cc2ccccc2F)C(=O)/C1=C/c1ccc(O)cc1 1865658932 VRIUDWWRVKUKRW-MHWRWJLKSA-N 310.328 3.333 10 10 DGCE Oc1c(F)cccc1CN[C@@H]1CC[C@H]1OCc1ccccc1 1934907034 XXQANOKCLXCVEI-IAGOWNOFSA-N 301.361 3.369 10 10 DGCE Cc1ccc(O)c(CN[C@]23C[C@H]2CN(Cc2ccccc2)C3)c1 1939379727 HNNAIRFULCDOPY-ICSRJNTNSA-N 308.425 3.065 10 10 DGCE C[C@@H](N)c1ccc(N2CC[C@](C)(F)C2)c(Br)c1 1946949933 ZVYONUMPHXZEAX-RNCFNFMXSA-N 301.203 3.407 10 10 DGCE CC(F)(F)C1(NCc2c(O)cccc2Br)CC1 1948703047 UMTIBXQLTUJIDV-UHFFFAOYSA-N 306.150 3.432 10 10 DGCE CC(C)(C)OC(=O)NCC[C@@H]1CCN(CCCCN=[N+]=[N-])C1 1962287693 LXNBNFURFOPBQZ-CYBMUJFWSA-N 311.430 3.314 10 10 DGCE CN(CCN=[N+]=[N-])Cc1ccc(NC(=O)OC(C)(C)C)nc1 1962288005 PNOQSRRTVKPWFF-UHFFFAOYSA-N 306.370 3.171 10 10 DGCE CC(C)C[C@@H](CO)CNCc1cc(Cl)cc(Cl)c1O 1962902240 FSIXYGWODASTTC-SNVBAGLBSA-N 306.233 3.443 10 10 DGCE COc1cc(Cl)cc(CNCCCP(C)(C)=O)c1O 1969957927 XKNNFSCISRGBBK-UHFFFAOYSA-N 305.742 3.157 10 10 DGCE Oc1ccc(Br)cc1CNCC1(CF)CCC1 1974144323 AVEMJEGIPZBBGJ-UHFFFAOYSA-N 302.187 3.384 10 10 DGCE CCN(CC)c1ccc([C@H](O)[C@@H](C)NC(=O)OC(C)(C)C)cc1 1977935543 PFHANKZQTFDIKC-CZUORRHYSA-N 322.449 3.479 10 10 DGCE CCN1CCc2cc([C@@](C)(O)COCc3ccccc3)ccc21 1977940232 WSMIRVGMRQVSKZ-FQEVSTJZSA-N 311.425 3.493 10 10 DGCE Cc1cccc(O)c1CN[C@H]1CC[C@H]1CNC(=O)OC(C)(C)C 1986709267 KFNXIUMWPHFVMQ-ZFWWWQNUSA-N 320.433 3.094 10 10 DGCE CN(Cc1ccc(Br)cc1O)[C@H]1CCC[C@H]1F 2006800145 AYGSGLBCSQLBEN-NEPJUHHUSA-N 302.187 3.477 10 10 DGCE COc1ccccc1CC(C)(C)C(=O)Nc1ccc(O)c(O)c1 2063862608 FDUPGFLKJKRRHU-UHFFFAOYSA-N 315.369 3.314 10 10 DGCE CCNCc1ccc(N2C[C@H]3C[C@H]2[C@@H]2C[C@@H]32)cc1Br 2103270784 KNLDOWJCFYCFAQ-UJDVCPFMSA-N 321.262 3.403 10 10 DGCE CSc1ncc(CN[C@H](C)c2cn(C)nc2C(F)F)s1 2286519003 MOGUALXLKQMKII-SSDOTTSWSA-N 318.418 3.387 10 10 DGCE Cc1ccc(CN2C(=O)C[C@H]3CC[C@H]2C3)c(O)c1Br 2352657292 SCYARMIETKCJRR-JQWIXIFHSA-N 324.218 3.364 10 10 DGCE Cc1ccc(CN[C@H](C)c2cccnn2)c(O)c1Br 2352683886 LZMVHTLTVHRKPF-SNVBAGLBSA-N 322.206 3.104 10 10 DGCE Cc1cc(C(=O)CNC[C@H]2CCCO2)c(C)n1-c1ccccc1 62657173 LABRGGFRGLWSBZ-QGZVFWFLSA-N 312.413 3.045 10 10 DGCE NCc1ccc(N2CCC(N3CCCCC3)CC2)cc1Cl 61845953 CZHRWUQVWMYXBE-UHFFFAOYSA-N 307.869 3.253 10 10 DGCE COc1ccc(N2CCC(N[C@H]3CCCC[C@@H]3OC)CC2)cc1 123133357 HRFPQSDOUPVIHA-OALUTQOASA-N 318.461 3.211 10 10 DGCE Cc1ccc([C@@H](C)NCCCNC(=O)OC(C)(C)C)c(O)c1 185340761 WIIPKIPFCXHFSI-CYBMUJFWSA-N 308.422 3.266 10 10 DGCE O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C/C=C\c1ccccc1 33711618 OFAKCWHPAYFKDB-WLTDFXCXSA-N 324.767 3.358 10 10 DGCE Cc1cccc(O)c1NC1=NC(=O)/C(=C/c2cccn2C)S1 210616751 REONSZKJSIOGQX-LCYFTJDESA-N 313.382 3.122 10 10 DGCE Cc1cc(Cl)cc(CN2CCS[C@H]3COCC[C@@H]32)c1O 180684102 SBARPEQMOQUNOB-KBPBESRZSA-N 313.850 3.060 10 10 DGCE Cc1ccc(C[C@H](C)NC(=O)CCc2ccc(N)cc2)s1 80226164 JRUVPWYUYUMDGP-LBPRGKRZSA-N 302.443 3.319 10 10 DGCE CN(C)c1ccc([C@@H](N)Cc2cncc(Br)c2)cc1 97416928 WBNUFWYOILXERW-HNNXBMFYSA-N 320.234 3.153 10 10 DGCE CCOC(=O)[C@@H]1CC[C@H](N[C@@H](C)c2ccc(N(C)C)cc2)C1 281094620 QFPORPVNFKSKRI-IMJJTQAJSA-N 304.434 3.135 10 10 DGCE N[C@@H](c1cccs1)c1ccc(Br)c(F)c1O 396451994 HJOFHVLFPDOUHJ-SNVBAGLBSA-N 302.168 3.403 10 10 DGCE COC(=O)Cc1ccc2c(O)c(Br)sc2c1 396272237 RIYFBNLJVNWLMB-UHFFFAOYSA-N 301.161 3.085 10 10 DGCE Oc1cccc2c1[C@@H](N[C@H]1CCOC3(CCSCC3)C1)CC2 296650252 DILUCNBKWIHUSA-GJZGRUSLSA-N 319.470 3.414 10 10 DGCE CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[C@@H]2C)cc1F 805094031 GKAAJAYKXUDWDG-SWLSCSKDSA-N 307.413 3.270 10 10 DGCE O=C(NCc1cccc(Br)c1O)[C@@H]1CC[C@H]2C[C@@H]2C1 817596688 MZHIJEXYMMNTIC-HOSYDEDBSA-N 324.218 3.207 10 10 DGCE CC[C@H](C(=O)OC(C)(C)C)N(C)Cc1cc(OC)c(C)cc1O 844759040 OZCNTXOBGSUWLL-CQSZACIVSA-N 323.433 3.261 10 10 DGCE C[C@H]1CN(Cc2cc3c(cc2O)OCO3)CC2(CCCCC2)O1 848505676 LLFPQSGJPDHDJK-ZDUSSCGKSA-N 319.401 3.045 10 10 DGCE Oc1cc2c(cc1CN1CCc3sc(Cl)cc3C1)OCO2 842616994 DZMOHVYHENTKEQ-UHFFFAOYSA-N 323.801 3.394 10 10 DGCE C[C@H](Cc1ccoc1)NCc1cc(Br)ccc1O 754048836 YMUAADRSFMPPRV-SNVBAGLBSA-N 310.191 3.469 10 10 DGCE C=Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1 855224658 GUKUQNKSHVTRNO-QGZVFWFLSA-N 322.408 3.347 10 10 DGCE Oc1ccc(Cl)c(F)c1CNC[C@@H]1Cc2ccccc2CO1 858212608 XYIILLXXHWCHQR-ZDUSSCGKSA-N 321.779 3.416 10 10 DGCE CCC1CN(c2ccc(/C=C/C(=O)O)cc2Br)C1 697961499 LAHBLINLQMWSJN-GQCTYLIASA-N 310.191 3.393 10 10 DGCE CCOCCCCCC(=O)N[C@H](C)c1cc(OC)ccc1O 866763857 INCCJVFXJAMJOR-CYBMUJFWSA-N 309.406 3.175 10 10 DGCE C[C@@H](NC[C@@H]1C[C@H]1C1CCOCC1)c1cc(F)cc(F)c1O 866538272 QAPIRWKRFLKUNT-GMXABZIVSA-N 311.372 3.384 10 10 DGCE C[C@@H]1CCC[C@@H](CCNC(=O)/C=C\c2ccc(O)c(O)c2)C1 779517631 CGEAABCNJQCRLH-APMKWMSLSA-N 303.402 3.444 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@H]1C[C@@H](O)C12CCC2 1875446459 VLWKAKRXYZWAKX-ZWNOBZJWSA-N 316.228 3.340 10 10 DGCE C[C@@H](NC(=O)c1ccc2c(c1)[C@H](CN)CCC2)c1ccccc1O 870988402 OQRXMJWEWALXLT-CJNGLKHVSA-N 324.424 3.262 10 10 DGCE Oc1cc(Cl)ccc1CNC[C@H]1CCN1Cc1ccccc1 1462454492 GHLWBBCTWHKECK-QGZVFWFLSA-N 316.832 3.410 10 10 DGCE Cc1cc(Br)c(O)c(CN2CCO[C@H](C)[C@H]2C)c1 781908685 KXKKEUVQFXMZSF-GHMZBOCLSA-N 314.223 3.072 10 10 DGCE CCN(CC)c1ccc(CN[C@@H]2CCN(C)[C@@H]3CCC[C@@H]23)cc1 796694289 KZNPKPNRUFKILB-XUVXKRRUSA-N 315.505 3.495 10 10 DGCE C[C@H]1CC[C@H](Nc2ccc(N)cc2)CN1C(=O)OC(C)(C)C 1959359588 MPSYZQCGDNTXQT-WFASDCNBSA-N 305.422 3.469 10 10 DGCE CC1(C)OC[C@H](CN2CCCc3cc(OC(F)F)ccc32)O1 1167717193 MZPJSQVILDVIJG-ZDUSSCGKSA-N 313.344 3.192 10 10 DGCE COC1(CNC(=O)N[C@@H](C)c2ccccc2O)CCC(C)CC1 1312634898 BLESKJFHYIIKMD-FVRSWCFKSA-N 320.433 3.348 10 10 DGCE CC[C@H]1[C@@H](NCc2ccccc2O)CCN1C(=O)OC(C)(C)C 704613948 FOYRSMVOZRFGSG-GJZGRUSLSA-N 320.433 3.270 10 10 DGCE OCc1cccc(NCc2c(O)cccc2Br)c1 706875193 PYYNKVGXSYZXKX-UHFFFAOYSA-N 308.175 3.259 10 10 DGCE O=C(O)CC1CC(NCc2ccc(N3CCCCC3)cc2)C1 1334071954 QDGDKAJGKNZSTG-UHFFFAOYSA-N 302.418 3.020 10 10 DGCE COc1ccc(CNC[C@H](C)CNC(=O)CC2(C)CC2)cc1C 1267995216 FLWCBTYBXHQTFH-AWEZNQCLSA-N 318.461 3.036 10 10 DGCE O=C(CCc1ccc(Cl)c(F)c1)NCc1ccccc1O 1465990876 VPFPEQSRLKEDQM-UHFFFAOYSA-N 307.752 3.434 10 10 DGCE CCN(Cc1ccoc1)C(=O)c1ccc(N=NC(N)=O)cc1 1611124587 NIHLTTUVBHOTCO-UHFFFAOYSA-N 300.318 3.104 10 10 DGCE O=C(c1cc(F)cc2cccnc12)N1Cc2cccc(O)c2C1 1558036234 XPAGLKSPTYMSPT-UHFFFAOYSA-N 308.312 3.236 10 10 DGCE CCC/C=C\[C@H](O)C(=O)NCc1cc(Cl)cc(Cl)c1O 1556884226 RQGPCRWBVDEQLW-RXNFCKPNSA-N 318.200 3.032 10 10 DGCE CN(C)c1ccc(CNc2ncnc(-c3ccccc3)n2)cc1 1649351821 JIPMDHOTTZBRAN-UHFFFAOYSA-N 305.385 3.217 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2c(O)nc3ccccc3c2C)c1 1640797009 VZTVPWQQSNNNKI-UHFFFAOYSA-N 322.364 3.193 10 10 DGCE Cc1ccnc(CN2CCC[C@@H](N=[N+]=[N-])C2)c1Br 1912170161 TUPAOSOZCVABKA-SNVBAGLBSA-N 310.199 3.427 10 10 DGCE CC(C)(C)CCS(=O)(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1 1912180304 YVVSKVABGDJBSD-LBPRGKRZSA-N 302.444 3.165 10 10 DGCE CC(C)(C)CCS(=O)(=O)N1CCCC[C@H](CN=[N+]=[N-])C1 1912180303 YVVSKVABGDJBSD-GFCCVEGCSA-N 302.444 3.165 10 10 DGCE C[C@@H](CC(=O)NCc1c(O)ccc2ccccc12)[C@@H]1CCCO1 1652709056 TZRJJHWNDAHEEA-UGSOOPFHSA-N 313.397 3.367 10 10 DGCE C[C@H]1CC[C@@H](C)N(C(=O)NCCCSc2nccs2)C1 154577623 MZQJIESXCOELPU-NWDGAFQWSA-N 313.492 3.455 10 10 DGCE CC[C@@H](C)N=NNc1ccc(C(=O)NCCN(CC)CC)cc1 1860488776 KBXBBFUQJVCSJN-CQSZACIVSA-N 319.453 3.336 10 10 DGCE CC(=O)Nc1cccc(NN=NCc2ccc3c(c2)OCO3)c1 1860493281 GFRXRCSBUVUILZ-UHFFFAOYSA-N 312.329 3.353 10 10 DGCE CC(C)(C)OC(=O)N[C@@H](CNCc1ccccc1O)C(C)(C)C 1900265100 ZTFDGWFWQCKIDI-HNNXBMFYSA-N 322.449 3.421 10 10 DGCE CC[C@]1(F)CCN(c2ccc(CN)cc2Br)C1 1925577423 DAVPBUASXKWRER-ZDUSSCGKSA-N 301.203 3.236 10 10 DGCE CCC1([C@@H](N)c2ccccc2O)CN(C(=O)OC(C)(C)C)C1 1928481384 VRCRUIIZVUKGSZ-AWEZNQCLSA-N 306.406 3.039 10 10 DGCE Cc1cc(O)c([C@H]2CC(=O)CN2C(=O)OC(C)(C)C)cc1C 1952931935 QQJGRGTUYHLLDN-CQSZACIVSA-N 305.374 3.260 10 10 DGCE C[C@H](NCc1cc(Br)cc(F)c1O)[C@@H]1CC1(F)F 1972721621 YUYLFWOHLXSKTE-RCOVLWMOSA-N 324.140 3.427 10 10 DGCE C[C@H](N[C@@H]1C[C@H]1CNC(=O)OC(C)(C)C)c1ccc(F)cc1O 1973243089 ANRGYLNIILPBFC-COPLHBTASA-N 324.396 3.095 10 10 DGCE Oc1cc(Br)ccc1CN1CCCC[C@H]1CF 2004478668 YNCDNUKNNXHXFI-LBPRGKRZSA-N 302.187 3.479 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CC(C(C)(F)F)C2)c1O 2151458605 DOBPDXOLGUHWCE-UHFFFAOYSA-N 303.736 3.335 10 10 DGCE CN(CC1CC(F)(F)C1)c1ccc(CN)cc1Br 383108226 HGAGHNOHZZXIRT-UHFFFAOYSA-N 319.193 3.389 10 10 DGCE Oc1cc(Br)ccc1CNC[C@@H]1C[C@H]1C(F)(F)F 896861088 ZTGFDVDGQATADV-WCBMZHEXSA-N 324.140 3.443 10 10 DGCE CNCc1cc(C2CCC2)nn1Cc1c(O)cccc1Cl 2070041249 XRIOARUXNYFALW-UHFFFAOYSA-N 305.809 3.277 10 10 DGCE C[C@@H]1C[C@@H](N(C)c2ccc(CN)c(C(F)(F)F)c2)CS1 2189469814 VKKWLXDIVZCLKJ-BXKDBHETSA-N 304.381 3.494 10 10 DGCE Nc1ccc(OCCCN2CCC(=CBr)C2)cc1 2052270993 WEDSJSKTTFJFHS-UHFFFAOYSA-N 311.223 3.022 10 10 DGCE NCc1ccc(N2C[C@H]3CC=CC[C@@H]32)c(F)c1Br 2057021614 HFHFATVYNUAZCL-MNOVXSKESA-N 311.198 3.202 10 10 DGCE CCNCc1ccc(N2CC(C)(CF)C2)cc1Br 2057934017 RHANIWRKJHFNCA-UHFFFAOYSA-N 315.230 3.354 10 10 DGCE CO[C@H]1CC[C@H]1CCNCc1cccc(Br)c1O 2066825271 GVMXFOYGCCXIEV-GWCFXTLKSA-N 314.223 3.059 10 10 DGCE CNCc1ccc(N2CC[C@H]3CC[C@@H]3C2)cc1Br 2068256166 XFFAIHBOGNCQEJ-DGCLKSJQSA-N 309.251 3.405 10 10 DGCE CN1CCC[C@@H](NCc2cc(Cl)cc(Cl)c2O)CC1 2088296544 IXWBBRYROZCBNH-GFCCVEGCSA-N 303.233 3.273 10 10 DGCE CC[C@H](O)CN(Cc1ccccc1)c1ccc2c(c1)OCCO2 2210886607 PTVZGCGACBIHSJ-KRWDZBQOSA-N 313.397 3.235 10 10 DGCE CC[C@H](Nc1c(N)cccc1Br)[C@H](C)CN(C)C 2260295750 ZPCQQWFLBXMEHL-MFKMUULPSA-N 314.271 3.420 10 10 DGCE [N-]=[N+]=NC1CCN(C(=O)c2cnc(C(F)(F)F)s2)CC1 2289271963 BMJRZEOWTJLMCS-UHFFFAOYSA-N 305.285 3.077 10 10 DGCE CN1C(=O)C(=CC=Cc2ccc(N(C)C)cc2)SC1=S 2297303126 VKOLQFSKGYAKGA-UHFFFAOYSA-N 304.440 3.140 10 10 DGCE CCN1C(=O)C(=CC=Cc2ccccc2[N+](=O)[O-])SC1=S 2297303275 TXJSFYCYKJAIGC-UHFFFAOYSA-N 320.395 3.372 10 10 DGCE Cc1cc(Cl)ncc1NC(=O)C=Cc1ccc(O)c(O)c1 2308001960 HQTNOPYDZYPIKM-UHFFFAOYSA-N 304.733 3.107 10 10 DGCE Cc1ccc(CN(C)C[C@@H]2C[C@@H]2F)c(O)c1Br 2307474839 XVQZEBMVPFLHFP-QWRGUYRKSA-N 302.187 3.253 10 10 DGCE Cc1ccc(CN=c2cc[nH]cc2C)c(O)c1Br 2327591971 OTUBVRXTJBWAKO-UHFFFAOYSA-N 307.191 3.201 10 10 DGCE C[C@@H]1CCCN(N=Nc2ccc(N3CCN(C)CC3)cc2)C1 2330216997 GLIICKOKEQGDTP-OAHLLOKOSA-N 301.438 3.169 10 10 DGCE CCOC(=O)CCN(C)N=Nc1cccc(C(=O)OC(C)C)c1 2330234241 MNHFEQRDBFCXKF-UHFFFAOYSA-N 321.377 3.136 10 10 DGCE Cc1ccc(CN2CCCC(=O)[C@@H]2C)c(O)c1Br 2327542101 KOHRKWMQYSGRIC-JTQLQIEISA-N 312.207 3.017 10 10 DGCE CCCCC1(C)OC(=O)C(=Cc2cccc(OC)c2)C(=O)O1 58834132 DTGKZBLSQXYUBB-UHFFFAOYSA-N 304.342 3.085 10 10 DGCE O=C(O)c1nc2ccccn2c1/N=N\c1cccc([N+](=O)[O-])c1 71581154 SOXLWECILGYUDY-MSUUIHNZSA-N 311.257 3.356 10 10 DGCE CCN1C[C@H](c2ccccc2)Oc2ccc(N3CCNCC3)cc21 77017030 VRBHGPINVRAZBT-HXUWFJFHSA-N 323.440 3.056 10 10 DGCE COc1cc(F)c([N+](=O)[O-])c(N(C)Cc2ccccc2O)c1 92689350 GOFAVSOPMBAIHF-UHFFFAOYSA-N 306.293 3.085 10 10 DGCE CCN[C@H](c1ccc(N(C)C)cc1)c1c(Cl)cnn1CC 97420956 ANXONEJUINGZRB-OAHLLOKOSA-N 306.841 3.321 10 10 DGCE CC1CCN(c2ccc(CNC(=O)N(C)CC3CC3)cc2)CC1 108443739 YUUDZTQYRMEPML-UHFFFAOYSA-N 315.461 3.474 10 10 DGCE COCCOc1cccc(CNCc2c(O)cccc2Cl)c1 113323839 IOSKCOORCTXXKH-UHFFFAOYSA-N 321.804 3.361 10 10 DGCE c1cc(N2CCSCC2)ccc1CN[C@@H]1CCCSC1 131182199 GSYWZESMJJELTB-OAHLLOKOSA-N 308.516 3.225 10 10 DGCE C[C@H]1SCCS[C@@H]1c1noc(CCc2ccc(N)cc2)n1 161915108 PATZNHHUWIHPNB-YGRLFVJLSA-N 321.471 3.347 10 10 DGCE CCCNCc1ccc(N2[C@H]3CC[C@H]2CC(O)C3)c(Cl)c1 164085519 VBPPSRXAZVKVPM-KBPBESRZSA-N 308.853 3.332 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2C(=O)N1CCc2ccccc21 182925885 ZSCJRQXEVWUNNU-UHFFFAOYSA-N 323.396 3.134 10 10 DGCE C[C@H](N[C@@H](C)c1ccccc1O)c1ccc(-n2ccnn2)cc1 183630254 YIDBSYFPQVULLE-KBPBESRZSA-N 308.385 3.385 10 10 DGCE CN(Cc1ccccc1O)C(=O)NC[C@@H]1[C@H]2Cc3ccccc3[C@H]21 247653343 WRRHTINZKVBPJV-ZHALLVOQSA-N 322.408 3.120 10 10 DGCE CCN[C@H]1C(=O)Nc2cc(N(C)[C@H](C)C(C)C)c(Cl)cc21 252606048 QEZRYDXCBIQLMJ-MEBBXXQBSA-N 309.841 3.423 10 10 DGCE CN(C(=O)/C=C\c1c(Cl)nc2sccn12)c1cccnc1 255772150 MGTSAAQNWITAFH-PLNGDYQASA-N 318.789 3.120 10 10 DGCE C[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1cccnc1 266840266 PDCRISNXAYOUES-OAHLLOKOSA-N 323.440 3.442 10 10 DGCE CCOC(=O)c1cnc(SC2(CO)CCCCC2)s1 313075252 JAUBFSNQJNRBDO-UHFFFAOYSA-N 301.433 3.107 10 10 DGCE Brc1cc(CNC2CC2)ccc1N1C[C@H]2C[C@@H]2C1 379547745 HMTXWWVJFDCBFE-VXGBXAGGSA-N 307.235 3.157 10 10 DGCE C[C@H]1CSCCN(c2ccc(CN)cc2C(F)(F)F)C1 379560258 QWNDYESHKYCOAU-SNVBAGLBSA-N 304.381 3.353 10 10 DGCE C[C@H]1CN(Cc2ccccc2)C[C@H]1NCc1cc(F)ccc1O 389836458 KLYJJEKEBPWQJY-KBXCAEBGSA-N 314.404 3.141 10 10 DGCE CNCc1ccc(N2CCN(Cc3ccccc3)[C@@H](C)C2)c(C)c1 396355825 RYKUEGXEFZGMMA-SFHVURJKSA-N 323.484 3.425 10 10 DGCE C[C@H](N[C@@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2)c1ccccc1O 400713904 MYKOOPWPGZSYKG-CAVOSLQRSA-N 318.417 3.051 10 10 DGCE CC[C@@H](CC(F)F)C(=O)N1CCOc2cc(N(C)C)ccc21 457612288 MAPMZVIIVUAHGN-NSHDSACASA-N 312.360 3.159 10 10 DGCE CC[C@H](NCCc1ccc(OC)nc1)c1ccc(C)cc1O 527989754 GNZYQLAYCQKKKM-INIZCTEOSA-N 300.402 3.388 10 10 DGCE Cc1c(Br)cc(C=O)c(O)c1CN1CCCCC1 642880573 YNOCUHCFBDPGQZ-UHFFFAOYSA-N 312.207 3.262 10 10 DGCE Nc1cccc(Br)c1N[C@@H]1CCN2CCC[C@H]2C1 700037476 WPDKSNNRKFHLCM-MNOVXSKESA-N 310.239 3.070 10 10 DGCE C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1NCc1cc(Br)cc(F)c1O 715738305 RHXVKNRCSPSLOW-XKYKYCOXSA-N 314.198 3.428 10 10 DGCE COc1ccc(O)c(CNC(=O)NCC[C@H]2CCC[C@H](C)C2)c1 734670008 CZVUDYUSVLWPDV-UONOGXRCSA-N 320.433 3.416 10 10 DGCE CC(C)C1CC(NCc2ccc(N3CCC(CO)CC3)cc2)C1 754090766 YLTVMSSKAWIJQS-UHFFFAOYSA-N 316.489 3.420 10 10 DGCE C[C@H](C(=O)NCc1cc(Br)ccc1O)C(C)(C)C 804734043 AMXWCBSFATUSPV-SECBINFHSA-N 314.223 3.453 10 10 DGCE Cc1ccc(O)c(CNCc2cc(Cl)cc(Cl)c2O)n1 809775599 FKQBRPSBZWHAAI-UHFFFAOYSA-N 313.184 3.398 10 10 DGCE C[C@@H]1CCCCN1CCNCc1cc(Cl)c(F)cc1O 816535345 MLODQSGOXZPNKL-LLVKDONJSA-N 300.805 3.149 10 10 DGCE CN(C)c1ccc(/C=C\CNC[C@@H](CO)c2ccccc2)cc1 835044221 XXTWDGCDEACXIU-RURPWVQCSA-N 310.441 3.132 10 10 DGCE COc1cc2c(c(OC)c1)N(C[C@H]1CCO[C@@H](C)C1)CCC2 839656408 KFJXJHAVPAAOPP-KBPBESRZSA-N 305.418 3.272 10 10 DGCE C[C@H](NC[C@@H]1CCC2(CCCC2)O1)c1cc([N+](=O)[O-])ccc1O 848570262 JSWJMTUUYVJOOT-JSGCOSHPSA-N 320.389 3.443 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@@H](C)c3cncc(F)c3)C2)cc1 850347336 QJWXYMCDMPZMCL-XJKSGUPXSA-N 315.392 3.159 10 10 DGCE COc1ccc(CN[C@H]2CCC[C@H]2Cc2cnn(C)c2)cc1C 850384223 IRTGQBWIJROSIW-ROUUACIJSA-N 313.445 3.238 10 10 DGCE Cc1cc(CN2CC[C@H]3COC[C@H]3C2)c(O)c(C(C)(C)C)c1 853585947 LRHYDHAUIPULFS-GOEBONIOSA-N 303.446 3.466 10 10 DGCE CCCC[C@@](C)(F)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855226890 VGFFYITWQZKOCE-RDTXWAMCSA-N 322.424 3.309 10 10 DGCE COc1ccc(N2CC[C@H](N[C@@H](C)C3CC(F)(F)C3)C2)cc1 862408060 SHXOEFGKGFQUSJ-JSGCOSHPSA-N 310.388 3.297 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)C(C)(C)c2nccs2)c1 901127083 HDAGEPHEQWSPRN-SNVBAGLBSA-N 320.414 3.012 10 10 DGCE Cc1cc(O)ccc1NS(=O)(=O)c1c(C)sc(C)c1C 901629581 LOPFUQYOVIROFA-UHFFFAOYSA-N 311.428 3.488 10 10 DGCE O=C(NCCC1CC=CC1)NCc1ccc(N2CC=CC2)cc1 919918506 NFSLFKOFPSGSKS-UHFFFAOYSA-N 311.429 3.218 10 10 DGCE C[C@H](NC1([C@H]2CCCCO2)CC1)c1cc([N+](=O)[O-])ccc1O 927161171 PGLJVIFFPPSKFU-XHDPSFHLSA-N 306.362 3.053 10 10 DGCE COC(=O)COc1ccc(N(C)CCc2cccc(F)c2)cc1 1193311617 SPIDESWMLSMIQF-UHFFFAOYSA-N 317.360 3.056 10 10 DGCE c1cc2c(cc1CNCCc1nc3c(s1)CCCC3)CCO2 1201512676 UGLHLDPUNOWDQJ-UHFFFAOYSA-N 314.454 3.289 10 10 DGCE O=C(NCC[C@@H]1C[C@H]1C1CC1)NCc1cccc(Cl)c1O 1255405750 WQRYBGBSOPLDTF-YPMHNXCESA-N 308.809 3.281 10 10 DGCE CCC[C@H](C)C(=O)N(C)C[C@H](C)NCc1ccc(OC)c(C)c1 1277770881 JJSDCDXYFOMJIW-HOCLYGCPSA-N 320.477 3.376 10 10 DGCE C[C@H](O)[C@@H](NCc1ccc(N2CCCC2)cc1)c1ccccc1 1327263997 NRICZDYLHXESRX-OXJNMPFZSA-N 310.441 3.499 10 10 DGCE COc1ccc(CCN[C@@H]2C[C@H](C)c3c(C)ccc(O)c32)cn1 1331531893 JAWSWKZZWDVEIV-DZGCQCFKSA-N 312.413 3.485 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2ncccc2-c2ccccn2)c1 1453656367 KRCUVGCUPYMJHU-UHFFFAOYSA-N 319.364 3.088 10 10 DGCE Cc1ccc(N(CC2CC2)C(=O)Cc2ccc(O)c(O)c2)cc1 1455811842 AYMWPWDGAUQCAG-UHFFFAOYSA-N 311.381 3.392 10 10 DGCE O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(O)cc1F 1540729435 XROQGXLUMXICGY-UHFFFAOYSA-N 314.360 3.062 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2cnn(C)c2-c2ccccc2)c1 1557552664 GRRNGLCJXBHMCD-UHFFFAOYSA-N 321.380 3.031 10 10 DGCE CCN(C[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1ccc(OC)c(OC)c1 1559642225 HEJDMZCBMXUCDL-BPUTZDHNSA-N 305.418 3.488 10 10 DGCE CCSc1ccccc1CC(=O)NCc1c(O)cccc1O 1597579712 RDDANSQBNISDQV-UHFFFAOYSA-N 317.410 3.069 10 10 DGCE CN(Cc1ccccc1O)C(=O)c1ccc(F)c2ccncc12 1622312250 CUJXPZMFVYVHBM-UHFFFAOYSA-N 310.328 3.352 10 10 DGCE O=C(COc1ccc(F)c(Cl)c1)N1Cc2cccc(O)c2C1 1636231210 WJAARKCCXCGJOR-UHFFFAOYSA-N 321.735 3.106 10 10 DGCE COc1cc(C)nc(N[C@H](C)Cc2ccc(N(C)C)cc2C)n1 1640043529 VPQVVWIPWDNYJO-CYBMUJFWSA-N 314.433 3.211 10 10 DGCE CCNCc1ccc(N2CCSC2)c(Br)c1 1902757488 HRISCGWLRATZJF-UHFFFAOYSA-N 301.253 3.069 10 10 DGCE C[C@H](CCNC(=O)OC(C)(C)C)N[C@H](C)c1cc(O)ccc1O 1937018366 HDHVSHQNMCXQQW-VXGBXAGGSA-N 324.421 3.052 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CCCN2CCCN=[N+]=[N-])C1 1962298940 JOUAWSDXHLLCEU-CHWSQXEVSA-N 309.414 3.018 10 10 DGCE CN(C)c1ccc([C@H](O)CN(C(=O)OC(C)(C)C)C2CC2)cc1 1977939324 PLLIPWKVJKBSCR-MRXNPFEDSA-N 320.433 3.186 10 10 DGCE C[C@H](N)c1ccc(N2CC(CCF)C2)cc1Br 1996950300 FRPHSDVXSGXHJU-VIFPVBQESA-N 301.203 3.265 10 10 DGCE C[C@@H]1C[C@]1(F)CN(C)c1ccc(CN)c(Br)c1 2025731752 RPDKSJWUIXWWSU-RNCFNFMXSA-N 301.203 3.092 10 10 DGCE CC1(C)C[C@@H](CNCc2cccc(Br)c2O)CO1 2041458184 ZHTRAUUWVDJCEJ-JTQLQIEISA-N 314.223 3.059 10 10 DGCE CNCc1ccc(N(C)C[C@]2(F)C[C@@H]2C)cc1Br 2085438979 DHRHZAWKVWGVJZ-IINYFYTJSA-N 315.230 3.353 10 10 DGCE CNCc1ccc(N(C)Cc2cc(C)on2)cc1Br 2115103249 HQNXWXRWSBIDOP-UHFFFAOYSA-N 324.222 3.101 10 10 DGCE CC(C)N[C@]1(CO)C[C@H](Sc2nccs2)CC[C@H]1C 2119120038 JLSMZPPAHQGOHG-BZPMIXESSA-N 300.493 3.153 10 10 DGCE COCCN(c1ccc([C@H](C)N)cc1Cl)[C@@H]1CCSC1 2170139917 MIXBIAXTGNBDSM-WCQYABFASA-N 314.882 3.318 10 10 DGCE CNCc1ccc(N(C)CC(F)(F)C(F)(F)F)c(F)c1 2170182427 UFILMDISFPHLAL-UHFFFAOYSA-N 300.246 3.179 10 10 DGCE Cc1cc(N(C)[C@@H]2CS[C@@H](C(F)(F)F)C2)ccc1CO 2189472695 FGWHJTRZVCOMOD-QWHCGFSZSA-N 305.365 3.360 10 10 DGCE CSc1ncc(CNC(=O)c2ccc(N)c(Cl)c2)s1 2269132128 BSGGGFVLHKBKCC-UHFFFAOYSA-N 313.835 3.031 10 10 DGCE CN[C@H](C)c1ccc(N(C)Cc2nc(C)ns2)cc1Cl 2288820116 GPXLXJZFNXZFEC-SECBINFHSA-N 310.854 3.417 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)C=Cc2ccc(C)o2)c1 2301402215 SSQUTYPSFMOISP-GFCCVEGCSA-N 301.342 3.193 10 10 DGCE CN(Cc1ccc(F)c(F)c1)C(=O)C=Cc1ccc(O)c(O)c1 2307987544 QYZOMOBRSYAFQP-UHFFFAOYSA-N 319.307 3.048 10 10 DGCE Cc1cc(N2CC[C@H](SC(F)F)C2)ccc1C[C@@H](C)N 2365649844 JNTYWCVWYBWUMR-RISCZKNCSA-N 300.418 3.419 10 10 DGCE CCCN[C@@](CO)(CSc1nccs1)c1ccccc1 70521067 ORXOVSOWTQAEJE-HNNXBMFYSA-N 308.472 3.123 10 10 DGCE Cc1nc2cc(C(=O)O)ccn2c1/N=N\c1cccc(C(=O)O)c1 71593205 YVVKCWBKOZKKHR-HNENSFHCSA-N 324.296 3.455 10 10 DGCE CC(C)(C)OC(=O)N1CCN(c2ccc3c(c2)CCCN3)CC1 84857837 GOBKHBXYSRISCF-UHFFFAOYSA-N 317.433 3.102 10 10 DGCE COc1ccc(N2CCC(=O)[C@@H](C)[C@H]2C)cc1Br 93036016 ZUUFOBUGGYDZHK-VHSXEESVSA-N 312.207 3.262 10 10 DGCE Cc1cc(C(=O)N[C@H]2CCCC[C@@H]2O)c(C)n1-c1ccccc1 130704447 UZLZQWJWHXRBPS-ROUUACIJSA-N 312.413 3.127 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNCCCc1ncc[nH]1 139347847 PENOHKQZBYQMTM-UHFFFAOYSA-N 300.189 3.145 10 10 DGCE CN(C[C@@H]1CCCCO1)c1ccc(/C=C/C(=O)O)cc1Cl 164357803 OAYPOIBTYXTQCE-CFNZNRNTSA-N 309.793 3.443 10 10 DGCE COc1cccc([C@@H]2CN(Cc3cc(F)ccc3O)CCO2)c1 180072315 OMPUVMUVICFVIS-SFHVURJKSA-N 317.360 3.113 10 10 DGCE O=C(NCc1ccc(N2CCCC2)cc1)c1cccn1C1CC1 180399748 KNBCITVUMAAIAT-UHFFFAOYSA-N 309.413 3.353 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)c2cccn2C2CC2)c1 182507688 YLCMTPWMVIIONV-NSHDSACASA-N 300.358 3.028 10 10 DGCE C[C@@H](NCCCN1CCOC1=O)c1ccc2ccccc2c1O 185332759 LMSKRHVWWUFCGM-CYBMUJFWSA-N 314.385 3.038 10 10 DGCE Cc1ccc(NC2=NC(=O)/C(=C\c3ccncc3)S2)c(O)c1 210382886 BAACOWSNWBLXEJ-NTEUORMPSA-N 311.366 3.178 10 10 DGCE CC(C)CNCc1ccc(N2CCOCC2)c(OC(C)C)c1 212148089 FSINNMPMEMNDHQ-UHFFFAOYSA-N 306.450 3.056 10 10 DGCE CCN[C@H](C)c1ccc(N(C)C[C@H]2CCN(C)C2)cc1Cl 250277764 JGBKYGGTCBMFKW-KGLIPLIRSA-N 309.885 3.398 10 10 DGCE Cc1ccccc1-n1c(C)cc(C(=O)N(C)CCCCO)c1C 276377953 CXIRPVYOBNOUGO-UHFFFAOYSA-N 314.429 3.247 10 10 DGCE COc1cc(N(C)C[C@H]2CC=CCC2)c([N+](=O)[O-])cc1OC 302194699 WWSHEVXRNCJZHX-LBPRGKRZSA-N 306.362 3.405 10 10 DGCE Cc1cccc(CNC2CCN(Cc3ccccc3)CC2)c1O 309930383 YVCRKQNMNNVVLU-UHFFFAOYSA-N 310.441 3.455 10 10 DGCE C[C@H](NCc1cc(Cl)ccc1O)c1nnc2n1CCCCC2 315378273 DFYREPPEMNENSX-NSHDSACASA-N 320.824 3.214 10 10 DGCE Oc1ccc(F)cc1CN[C@@H](c1ccccc1)[C@@H]1CCOC1 373142569 UEGOYOXEBRYIOQ-KDOFPFPSSA-N 301.361 3.399 10 10 DGCE C[C@@H](N[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21)c1ccccc1O 398466771 VDNVNFPPOWZRFI-QKUWSGOFSA-N 308.425 3.173 10 10 DGCE C[C@@H]1C[C@H](N(C)[C@H](C)c2cc(Br)ccc2O)CO1 401442108 WJRXUKZNEJBSKK-FOGDFJRCSA-N 314.223 3.325 10 10 DGCE C[C@@H](c1ccc(O)cc1O)N(CCC(=O)O)Cc1ccccc1 692429186 RIPBSWCPOXOETP-ZDUSSCGKSA-N 315.369 3.136 10 10 DGCE C[C@@H](COCc1ccccc1)NCc1ccc(F)c(F)c1O 703394739 MDOOBSAJRRRBAJ-LBPRGKRZSA-N 307.340 3.365 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)c2cc(Cl)nc(Cl)c2)C1 706133143 PMYAFSGPODQRBQ-QMMMGPOBSA-N 300.149 3.303 10 10 DGCE CCOC[C@@H](C)NCc1cc(Cl)cc(Br)c1O 708098296 HFGIUPSGLGWXEN-MRVPVSSYSA-N 322.630 3.323 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCOCC1CC1 751227488 IGVJAFNFEVGHFE-UHFFFAOYSA-N 318.461 3.306 10 10 DGCE COc1cc(CN2CCO[C@H](C3CCCCC3)C2)c(O)cc1C 758291774 QEHXEBGBCXDUOI-IBGZPJMESA-N 319.445 3.490 10 10 DGCE CC[C@@](C)(CCO)NCc1cc(C)cc(Br)c1O 781635448 NMHHXOBFCKTVAD-AWEZNQCLSA-N 316.239 3.104 10 10 DGCE CN(Cc1ccc(Cl)cc1)C(=O)c1c(F)ccc(O)c1O 789939930 SBQKIXDYMZYTBN-UHFFFAOYSA-N 309.724 3.163 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@](C)(CO)C(C)C)cc1 793732875 MNMLIWPXCHAOCF-LJQANCHMSA-N 314.429 3.231 10 10 DGCE CCN(CC)c1ccc(CN2CC[C@H]3COC[C@H]3C2)cc1F 827596231 WVBMVRSVMUGGJI-JKSUJKDBSA-N 306.425 3.140 10 10 DGCE CCOC(=O)[C@@H]1CC[C@H](N[C@H](C)c2ccc(Cl)cc2O)C1 841751792 JZXXVIURDXBXCQ-WZRBSPASSA-N 311.809 3.428 10 10 DGCE CC[C@H](N[C@@H](C)c1cc(C(=O)OC)ccc1O)[C@@H]1CCCCO1 848567577 ITLYIKXNYJBQMD-NUTKFTJISA-N 321.417 3.177 10 10 DGCE COc1ccc(N2CC[C@H](CN[C@H]3CCCSCC3)C2)cc1 850473985 HAVHUXLAJMRTBV-CVEARBPZSA-N 320.502 3.397 10 10 DGCE Cc1cc(CN2CCc3nccnc3C2)ccc1N1CCCCC1 852697415 AHWKOKRAJDZMKH-UHFFFAOYSA-N 322.456 3.334 10 10 DGCE Cc1ccc(O)c([C@@H](C)NCc2c(C(F)(F)F)cnn2C)c1 858452793 OBCCAZNGXOHJCU-SNVBAGLBSA-N 313.323 3.304 10 10 DGCE CC(C)c1nn(C)c(Cl)c1C(=O)N1Cc2cccc(O)c2C1 871202436 HGTASZIHKOHZDC-UHFFFAOYSA-N 319.792 3.059 10 10 DGCE CC(C)OC1(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)CCC1 872114848 CTZMACVLNWZAKM-LBPRGKRZSA-N 308.378 3.299 10 10 DGCE CS[C@H]1CCC[C@@H](NC(=O)NCc2c(O)cccc2F)C1 919225000 DGESIXOCSAUCJC-MNOVXSKESA-N 312.410 3.005 10 10 DGCE c1csc(SCCCN[C@H]2CCCN3CCCC[C@H]23)n1 925102152 LMRJYJARLVUHTB-UONOGXRCSA-N 311.520 3.232 10 10 DGCE Cc1ccc([C@H](C)NCC[C@H](N(C)C)C(F)(F)F)c(O)c1 926959025 AINKUILQSXSWPW-FZMZJTMJSA-N 304.356 3.234 10 10 DGCE C[C@H](C(=O)NCc1c(O)cccc1F)c1ccc(F)c(F)c1 1178413452 RXYCMUNCPZQJDK-VIFPVBQESA-N 309.287 3.229 10 10 DGCE COc1ccc(N(C)CCN(C)C[C@H]2CCC3(CCC3)O2)cc1 1307898104 YGIYPVOTLOMOAC-GOSISDBHSA-N 318.461 3.165 10 10 DGCE CCCCSCC(=O)N(C)CCN(C)c1ccc(OC)cc1 1437382441 GCBKPOKBWGUTLB-UHFFFAOYSA-N 324.490 3.123 10 10 DGCE CC/C(C)=C(\C)C(=O)N(C)CCN(C)c1ccc(OC)cc1 1530897849 UELJKNSPDWNXMT-CCEZHUSRSA-N 304.434 3.336 10 10 DGCE CC(=O)CCCC(=O)N(C)Cc1ccc(N2CCCC2)cc1 1540486990 IUYHAZOGWAGOTK-UHFFFAOYSA-N 302.418 3.005 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)NCC(C1CCC1)C1CCC1 1585553314 FXFJXLKMGOHXOO-CSKARUKUSA-N 315.413 3.444 10 10 DGCE CCc1ccc(O)c(NC(=O)c2ccc(N=NC(N)=O)cc2)c1 1637655517 YSJQGRPHKRYQPE-UHFFFAOYSA-N 312.329 3.369 10 10 DGCE C[C@H](Cc1ccccc1)C(=O)NCc1ccc2cccnc2c1O 1639625095 XBJNAPKCOYNTOX-CQSZACIVSA-N 320.392 3.435 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)NCC(C)(C)[C@H](C)O)cc1 1646336858 IYLWWUGVYRNEOW-HNNXBMFYSA-N 314.429 3.231 10 10 DGCE O=C(NCc1c(O)cccc1F)N[C@@H]1CCc2c(F)cccc21 1685347405 XUZLHSGUHZSDFH-OAHLLOKOSA-N 318.323 3.157 10 10 DGCE [N-]=[N+]=NC[C@H]1CCN(C(=O)c2ccc(Br)s2)C1 1912210584 LJXPAZBJRRJPRE-SSDOTTSWSA-N 315.196 3.283 10 10 DGCE C[C@@H]1CC[C@@H]([C@H](N)c2ccccc2O)CN1C(=O)OC(C)(C)C 1936967496 HXTWXBLBYQAQAU-IOASZLSFSA-N 320.433 3.428 10 10 DGCE CN(CCc1ccc(N)cc1)C1CC(OCc2ccccc2)C1 1939603855 JYOQSIWCBOAQAT-UHFFFAOYSA-N 310.441 3.491 10 10 DGCE CCc1cccc(CN[C@@]23C[C@H]2CN(Cc2ccccc2)C3)c1O 1950090099 NSEVNJIAANIAND-PZJWPPBQSA-N 322.452 3.319 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H](Nc3ccccc3N)[C@@H]21 1959364789 GGYYUHGJNHJDLW-KCPJHIHWSA-N 303.406 3.079 10 10 DGCE C[C@@H](C[C@H](O)c1ccc(N(C)C)cc1)NC(=O)OC(C)(C)C 1959572054 WCOVJVVTMWSOGM-WFASDCNBSA-N 308.422 3.089 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@]2(CCCN2CCCN=[N+]=[N-])C1 1962288675 ZWKGPDCJXZDMAM-OAHLLOKOSA-N 309.414 3.162 10 10 DGCE CCc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2)s1 1970358380 VAQALDZVOUXOQV-UHFFFAOYSA-N 311.428 3.434 10 10 DGCE CN(c1ccc(CN)c(Br)c1F)C1CC(F)(F)C1 2029178985 RHOXLDOZHJVZNJ-UHFFFAOYSA-N 323.156 3.281 10 10 DGCE C[C@@H]1CCOC[C@H]1N(C)Cc1cccc(Br)c1O 2035126444 SGYOCIPYCLVSRW-ZWNOBZJWSA-N 314.223 3.012 10 10 DGCE C[C@H](O)c1ccc(N2Cc3conc3C2)c(Br)c1 2042310405 LZUSHXBRAYVQOJ-QMMMGPOBSA-N 309.163 3.011 10 10 DGCE CO[C@H]1CC[C@H](NCc2c(O)cccc2Br)CC1 2042527237 XNQOIXQJMCBEPN-XYPYZODXSA-N 314.223 3.202 10 10 DGCE C[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)[C@H](C)[C@@H]1N 2095701194 DONMAGRSSRVNSM-JRKPZEMJSA-N 303.233 3.257 10 10 DGCE Oc1c(Br)cccc1CNc1ccc2nccn2c1 2103654230 SOPJJGADMQOHBO-UHFFFAOYSA-N 318.174 3.415 10 10 DGCE CN(c1ccc(CN)cc1Br)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]12 2116355275 MKPIZOQEQWIEHZ-FDZNKFEOSA-N 321.262 3.389 10 10 DGCE C[C@@H]1[C@@H](CC(=O)O)CCN1Cc1cc(Cl)cc(Cl)c1O 2153484629 AOWIQHBMULZFQP-RKDXNWHRSA-N 318.200 3.384 10 10 DGCE C[C@@H](O)c1ccc(N2CCS[C@@H]3COCC[C@H]32)c(Cl)c1 2170501666 COVFWUQSTJXUJE-VCTAVGKDSA-N 313.850 3.104 10 10 DGCE COC1CCC(N(C)c2cc(Cl)c(CN)cc2F)CC1 2177381749 QJWMBSHGXJBPIS-UHFFFAOYSA-N 300.805 3.332 10 10 DGCE C[C@H]1CC(N(C)c2cc(Cl)c(CN)cc2F)C[C@H](C)O1 2177383839 RMGKWOTUAIQEPO-UWVGGRQHSA-N 300.805 3.330 10 10 DGCE CN[C@H](C)c1ccc(N2CCSCC(F)(F)C2)c(F)c1 2193332479 DTPDXLWIOLXWBB-SNVBAGLBSA-N 304.381 3.295 10 10 DGCE Oc1cc(Cl)ccc1CNc1cnncc1Br 2253273158 QMVMNDQTMUTTET-UHFFFAOYSA-N 314.570 3.210 10 10 DGCE CSc1ncc(CN=c2nc(C(C)(C)C)[nH]s2)s1 2257014201 NXLGFHLUDBKHCO-UHFFFAOYSA-N 300.478 3.048 10 10 DGCE CSc1ncc(Cn2cncc2[C@H](CN)CC(C)C)s1 2284727463 MWTJIHZVWGFJFW-NSHDSACASA-N 310.492 3.198 10 10 DGCE COc1ccc(C(C)=CC(=O)N(C)Cc2ccccc2O)cc1 2297798358 QWBUXPRJPTUKIF-UHFFFAOYSA-N 311.381 3.463 10 10 DGCE Cc1ccc(CNC[C@@]2(F)C[C@@H]2C)c(O)c1Br 2307572258 XRZLNXXJKXYIKZ-ZANVPECISA-N 302.187 3.301 10 10 DGCE Oc1cc2c(cc1O)CN(c1occc1Br)CC2 2318674553 DJCBMPACHDTPJA-UHFFFAOYSA-N 310.147 3.016 10 10 DGCE [N-]=[N+]=NC1CCN(C(=O)c2cc(Cl)cc(Cl)n2)CC1 2335601803 YASXGQKMDPNUEN-UHFFFAOYSA-N 300.149 3.303 10 10 DGCE C=CCN1/C(=C2\SC(=S)N(C)C2=O)Sc2ccccc21 35059831 WNISNFSWMYOEBR-ACCUITESSA-N 320.464 3.444 10 10 DGCE CSc1ccc([C@@H](C)NC(=O)Cc2ccc(N)cc2)cc1 37021361 CYZRBJBAEWRUHE-GFCCVEGCSA-N 300.427 3.411 10 10 DGCE COC(=O)c1ccc(Cl)cc1NCc1cccc(O)c1O 41116949 PPOSMLZYSGWXKJ-UHFFFAOYSA-N 307.733 3.150 10 10 DGCE CCNCc1ccc(N(CCO)C(C)C)c(C(F)(F)F)c1 163698749 NYSMAHHCGJNCCH-UHFFFAOYSA-N 304.356 3.022 10 10 DGCE CCCOc1ccc(CN2CCC[C@@H]2CN2CCCC2)c(O)c1 179646172 BGKNLEWRDHIGKM-QGZVFWFLSA-N 318.461 3.241 10 10 DGCE C[C@@H](NC[C@@H](O)Cc1ccccc1)c1cc(Cl)ccc1O 185370070 LHLKRFOSIZHFOS-DOMZBBRYSA-N 305.805 3.300 10 10 DGCE Cc1ccc([C@@H](C)N[C@H]2CCc3nc(C(C)C)nn3C2)c(O)c1 185997199 PHTDOJKVHGIANK-KGLIPLIRSA-N 314.433 3.081 10 10 DGCE C[C@H]1[C@H](NCc2ccccc2O)CCCN1C(=O)OC(C)(C)C 189520883 VKDSPHKENGNHLX-DZGCQCFKSA-N 320.433 3.270 10 10 DGCE CC[C@H](NC1CCN(C(=O)C(C)C)CC1)c1ccc(F)cc1O 285721834 QDXMNMCDVYEHSG-INIZCTEOSA-N 322.424 3.219 10 10 DGCE NC[C@@]12CCC[C@@H]1CN(Cc1cc(Cl)cc(Cl)c1O)C2 312750997 XBZQAPUQPOQPGN-IAQYHMDHSA-N 315.244 3.260 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@H]2CCCOCC2)cc1F 364813081 SHFNQDAGLCBPHO-HNNXBMFYSA-N 322.424 3.105 10 10 DGCE C[C@H](c1ccc(OCc2ccccc2)cc1O)N1CCOCC1 396697084 PGQOPIQCCOSNBX-OAHLLOKOSA-N 313.397 3.364 10 10 DGCE Oc1cc(Br)ccc1CN[C@@H]1CCCC1(F)F 691425761 DZNFAUOLVJHJCT-LLVKDONJSA-N 306.150 3.432 10 10 DGCE Cc1nn(C)c(C)c1NCc1ccc(Br)cc1O 691461353 GQNIXWKAMZAGES-UHFFFAOYSA-N 310.195 3.117 10 10 DGCE CC(C)N(C[C@H](C)O)c1ccc([C@H](C)O)cc1Br 691521706 SOPVKPLECGVVOA-QWRGUYRKSA-N 316.239 3.098 10 10 DGCE O=C(c1cc(O)cs1)N1CC(c2nc3ccccc3s2)C1 764323551 ABVWOCZLKGGAQW-UHFFFAOYSA-N 316.407 3.303 10 10 DGCE C[C@H](N[C@H](C)Cc1ccoc1)c1ccc(N2CCOCC2)cc1 766541760 VDFVSKGANPVSMG-CVEARBPZSA-N 314.429 3.398 10 10 DGCE COc1cccc(O)c1CN1CCO[C@@H](c2ccsc2)C1 769513386 CKXBMYKPTRJJGM-MRXNPFEDSA-N 305.399 3.036 10 10 DGCE Cc1ccc(C(=O)N2CCC[C@@H](C(F)(F)F)[C@@H]2C)c(O)c1O 775939337 DIROUZBWKSXPIU-GXSJLCMTSA-N 317.307 3.209 10 10 DGCE Cc1cc(Br)c(O)c(CN2C[C@H](C)O[C@H](C)C2)c1 781892797 DMQYIEVYSZSNHF-PHIMTYICSA-N 314.223 3.072 10 10 DGCE O=C(NCc1cc(Br)ccc1O)[C@@H]1CC12CCCC2 804738783 DLASIRMZFYXADI-LBPRGKRZSA-N 324.218 3.351 10 10 DGCE C[C@H](N[C@H]1CCCCNC1)c1cc(Cl)c(Cl)cc1O 817984319 QJUSUAYEBBCWJN-UWVGGRQHSA-N 303.233 3.492 10 10 DGCE O=C(NCc1ccc(N2CCSCC2)cc1)C(F)=C1CCC1 819127284 WTWNLGFXFSTCKW-UHFFFAOYSA-N 320.433 3.264 10 10 DGCE Cc1cnccc1/C=C\C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 829817738 QBJDBVBZELNLMN-XMELGKRDSA-N 309.413 3.347 10 10 DGCE CC1=CC[C@](C)(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)CC1 831931812 VCNIIUYYHZNBDF-ACJLOTCBSA-N 303.402 3.282 10 10 DGCE CC(C)C1(c2ccccc2)CN(C(=O)c2cccc(O)c2O)C1 839888509 VYACFZPOFQBXTE-UHFFFAOYSA-N 311.381 3.148 10 10 DGCE C/C(=C\c1ccncc1)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 846976809 HKNOGDFOQGVCEZ-BUYIWHAFSA-N 309.413 3.428 10 10 DGCE C[C@H](N[C@@H]1CCC[C@H]1Cc1cnn(C)c1)c1cc(F)ccc1O 850541092 ROOICCDSPAQWOX-RVSPLBMKSA-N 317.408 3.327 10 10 DGCE C[C@@H](N[C@H](C)c1nccn1C)c1cc(Br)ccc1O 850573363 YNMBIXGAZCLJCU-NXEZZACHSA-N 324.222 3.300 10 10 DGCE CCN(CC)c1ccc(CN(C)C[C@H](OC)[C@@H]2CCOC2)cc1 851717017 UKHJWWQRUFHZGV-MJGOQNOKSA-N 320.477 3.016 10 10 DGCE CCCCCCC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855232581 SDDFLZOYVLAZDL-OAHLLOKOSA-N 304.434 3.361 10 10 DGCE C[C@@H](COCC(=O)N1Cc2cccc(O)c2C1)c1ccccc1 871206253 XJONYCNQLSLNAY-AWEZNQCLSA-N 311.381 3.055 10 10 DGCE COc1ccc(CNC[C@@H]2CC[C@]3(CO[C@@H](C)[C@H]3C)O2)cc1C 886340935 NHNKGEKVRGSDAW-WXSAJPJJSA-N 319.445 3.066 10 10 DGCE c1cc2c(cc1CN[C@H](C1CCC1)[C@@H]1CCOC1)CCCO2 922315064 WAJDETWWZRRMTQ-IEBWSBKVSA-N 301.430 3.306 10 10 DGCE CN(C)c1ccc(CN[C@H](C2CC2)[C@H]2CCCOC2)cc1F 922899001 VLVJUQOEJDKLPN-MAUKXSAKSA-N 306.425 3.187 10 10 DGCE CN1CCCc2cc(CN[C@H](C3CCC3)[C@H]3CCOC3)ccc21 924870939 MNWLDVXWGQLWMV-AZUAARDMSA-N 314.473 3.364 10 10 DGCE CC(C)[C@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)C1CC1 1118564671 DSZSIDZHBUUVPW-IBGZPJMESA-N 319.468 3.102 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC(=O)[C@@H]2C)cc1 1157961030 ABNUSKOBHYJZPT-HNNXBMFYSA-N 310.397 3.288 10 10 DGCE CCOc1nc(N(C)Cc2ccc(N(C)C)cc2)ncc1Cl 1161994204 UDKWKRMCJUSPPU-UHFFFAOYSA-N 320.824 3.231 10 10 DGCE COc1ccc(N(C)CCN(C)C[C@@H]2CC[C@H](C3CC3)O2)cc1 1171730491 WLLMJECRCRMTEC-RBUKOAKNSA-N 318.461 3.021 10 10 DGCE Cc1cncc(/C=C\C(=O)N(C)c2cccnc2N2CCCC2)c1 1265726092 MALPTIKBMKPCQP-FPLPWBNLSA-N 322.412 3.061 10 10 DGCE CCC[C@H](O)CNC(=O)c1cc(C)ccc1-n1c(C)ccc1C 1294691852 JDEAJHRSSGASHE-INIZCTEOSA-N 314.429 3.293 10 10 DGCE FC1(F)[C@@H]2CCCO[C@@]21CNCc1ccc(N2CCCC2)cc1 1308468992 YEWHHMGKNHPAFL-SJORKVTESA-N 322.399 3.191 10 10 DGCE COc1ccc(CN[C@H](C)CNC(=O)CCC(C)C)cc1C 1317223443 BTIPXVWIMBVQIN-OAHLLOKOSA-N 306.450 3.034 10 10 DGCE CCN1CCN(C(=O)/C=C/c2ccc(C)nc2)c2ccccc21 1325303157 OXJSBUFLDHRLPW-ZHACJKMWSA-N 307.397 3.276 10 10 DGCE C[C@@H](CC(=O)Nc1c(Cl)ccc2nonc12)n1cccc1 1329517742 GAEYSSXJKCLZND-VIFPVBQESA-N 304.737 3.268 10 10 DGCE COc1ccc(N(C)C(=O)/C=C/c2cnc3ccccc3n2)cc1 1461355288 NJLDHSNHOVZKFY-KPKJPENVSA-N 319.364 3.315 10 10 DGCE CCC[C@@H](CC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 1539235058 JXWCPMSPSRYDJQ-QAPCUYQASA-N 319.493 3.298 10 10 DGCE C/C(=C/c1cccnc1)C(=O)N1CCN(C)c2cc(F)ccc21 1539670502 CGNPICPDGHWXHN-RAXLEYEMSA-N 311.360 3.107 10 10 DGCE O=C(NCc1ccc(O)c(O)c1)c1cccc(C(F)F)c1F 1566358847 NUYYVLKIFMJHSZ-UHFFFAOYSA-N 311.259 3.105 10 10 DGCE COc1ccc(CNC[C@@H](NC(=O)C(C)C)C(C)(C)C)cc1C 1571619284 NVXPEPOBWILTMK-QGZVFWFLSA-N 320.477 3.280 10 10 DGCE CC(=O)c1cccc(C(=O)NCc2cccc(Cl)c2O)c1 1637227139 PABYEMULBJKYCS-UHFFFAOYSA-N 303.745 3.178 10 10 DGCE COC(=O)c1csc(CN(C)c2ccc(OC)c(F)c2)c1 1644866073 UUYSIHBBIRBEBJ-UHFFFAOYSA-N 309.362 3.319 10 10 DGCE CCC1(CC)[C@@H](OC)C[C@H]1NC(=O)N1Cc2cccc(O)c2C1 1680882284 KTLGIZXBYZZHOG-CVEARBPZSA-N 318.417 3.011 10 10 DGCE C[C@@H](O)c1ccc(N(C)C[C@@H]2C[C@@H]2F)c(Br)c1 1908987216 VYJKKIFTANIOQR-QRTLGDNMSA-N 302.187 3.297 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H](CC[C@H](N)c2ccccc2O)C1 1936986445 HYGXCEKENCMGHH-HIFRSBDPSA-N 320.433 3.429 10 10 DGCE CC[C@]1(NC(=O)OC(C)(C)C)CCCN(CCCN=[N+]=[N-])C1 1962287117 FSOCCXSWWZVFNR-HNNXBMFYSA-N 311.430 3.456 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(CCCN=[N+]=[N-])C2 1962287638 LHYHTNIYNLZGTO-XQQFMLRXSA-N 309.414 3.064 10 10 DGCE CSC[C@H]1C[C@@H](NCc2ccc(Br)cc2O)C1 1974453612 BDUNRYAMJSHNKB-WVSHTKLVSA-N 316.264 3.386 10 10 DGCE CCN(CC)c1ccc([C@@](C)(N)CNC(=O)OC(C)(C)C)cc1 1977945266 MYWKWUHQDGJJBJ-SFHVURJKSA-N 321.465 3.231 10 10 DGCE CN(c1ccc(CN)c(Br)c1F)[C@@H]1CC1(C)C 2004421649 BGDZOHSANZCFNC-SNVBAGLBSA-N 301.203 3.282 10 10 DGCE CCC[C@@H](COC)N(C)Cc1ccc(Br)cc1O 2047297875 LYWFXXBXXJECEX-ZDUSSCGKSA-N 316.239 3.402 10 10 DGCE Oc1cccc(Br)c1CN[C@H]1[C@@H]2[C@H]1CCC2(F)F 2051233308 YXUFTICOKBIJGT-VSYUYLJXSA-N 318.161 3.288 10 10 DGCE Cc1ccc([C@H](n2nc(C)c(C(=O)O)c2N)C(C)(C)C)c(O)c1 2079110720 DPYPWUQWTMIFFT-AWEZNQCLSA-N 317.389 3.121 10 10 DGCE CN(CCC(F)(F)C(F)F)Cc1cc(F)cc(F)c1O 2166707006 IQLLBAFKYSTZMR-UHFFFAOYSA-N 301.230 3.393 10 10 DGCE C[C@@]1(P(C)(C)=O)CCCN1c1c(F)cc(CN)cc1F 2181672719 IBSMUWSBGFSPPL-CQSZACIVSA-N 302.305 3.363 10 10 DGCE CCN[C@]1(CO)C[C@H](Sc2nccs2)CC2(CCC2)C1 2183541761 HVNKUPDAWQDDDW-IUODEOHRSA-N 312.504 3.299 10 10 DGCE C[C@@]12CN(c3cc(Cl)c(CN)cc3F)CC[C@@H]1C2(F)F 2187992496 GWMZFAQVDGFVFJ-QWHCGFSZSA-N 304.743 3.419 10 10 DGCE CNc1cc(C)ccc1C(=O)NCc1cnc(SC)s1 2284721221 KCFUYROIJFMGSZ-UHFFFAOYSA-N 307.444 3.145 10 10 DGCE CNCc1ccc(N2CCc3nc(C)sc3C2)cc1Cl 2287201944 DEFNYOVOJPARBB-UHFFFAOYSA-N 307.850 3.387 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)C=Cc1cccc(O)c1 2310470123 SHCFVFIDCMPYTM-UHFFFAOYSA-N 310.397 3.130 10 10 DGCE CCOc1ccc(C=C2C(=O)N(CC(C)C)N=C2C)cc1OC 2332124539 MLOQHTWBSPHXRZ-UHFFFAOYSA-N 316.401 3.351 10 10 DGCE CN(Cc1snnc1C1CC1)c1ccc(CO)c(Cl)c1 2361112958 LSEZUXGEVVXOEC-UHFFFAOYSA-N 309.822 3.198 10 10 DGCE COC(=O)[C@H](NCCN=[N+]=[N-])c1ccc(Cl)c(Cl)c1C 2366032088 OMDVHTFBBZJPFF-LLVKDONJSA-N 317.176 3.416 10 10 DGCE CCN(Cc1ccc(N)cc1)S(=O)(=O)CC1CCCCC1 49043136 RQKQVACURROFNP-UHFFFAOYSA-N 310.463 3.001 10 10 DGCE C[C@@H]1CCCC[C@H]1NCc1ccc(N2CCCNCC2)cc1 84846303 VZXSHQLAJHMVDA-VQIMIIECSA-N 301.478 3.155 10 10 DGCE COc1ccc(N2CC[C@H](N)[C@H](C)[C@@H]2C)cc1Br 93036021 CTOQYXRMXQSAHJ-NRUUGDAUSA-N 313.239 3.020 10 10 DGCE CCOc1cccc(CNc2cccc(-c3nnc[nH]3)c2)c1O 168753790 HYBSYDRINAGWFO-UHFFFAOYSA-N 310.357 3.188 10 10 DGCE Cc1ccc(O)c([C@@H](C)NCc2cccnc2-n2ccnc2)c1 184989322 AGUYUKWFPFBZCL-CQSZACIVSA-N 308.385 3.132 10 10 DGCE CCc1onc(C)c1C(=O)NCc1ccc(N2CCCC2)cc1 185711465 LWIKXDGNGJGPBM-UHFFFAOYSA-N 313.401 3.076 10 10 DGCE CN(Cc1ccco1)c1ccc(CN)c(Br)c1F 231838961 YHMMGALDMBVBJF-UHFFFAOYSA-N 313.170 3.276 10 10 DGCE CC(=O)N(C(=S)N(C)Cc1ccccc1)c1ccc(N)cc1 242827164 FOGSAAPPQVDZBC-UHFFFAOYSA-N 313.426 3.039 10 10 DGCE C[C@@H](NCc1cccc(Cl)c1O)c1nnc2n1CCCCC2 317417065 YHOMYQMIQJBOBY-LLVKDONJSA-N 320.824 3.214 10 10 DGCE CCN(C(=O)/C=C/c1cnc2ccccc2n1)c1cccnc1C 493405204 XDIOGMPFVODXOZ-ZHACJKMWSA-N 318.380 3.400 10 10 DGCE N#Cc1cnccc1N1CC=C(c2c[nH]c3ncccc23)CC1 547501425 CWWJGASBTXLUGW-UHFFFAOYSA-N 301.353 3.123 10 10 DGCE CC(C)N1CCC([C@@H]2C[C@H]2NCc2ccc3c(c2)CCO3)CC1 585506910 MTUVPMPTSGBJGL-RBUKOAKNSA-N 314.473 3.220 10 10 DGCE C[C@H](NCc1cccc(Br)c1O)c1cscn1 697936653 SWGXECUOKXCIPB-QMMMGPOBSA-N 313.220 3.462 10 10 DGCE CC[S@@](=O)CCN[C@@H](C)c1ccc(N2CCCCC2)cc1 765935494 GGWKHRUZTXWTAY-YCRPNKLZSA-N 308.491 3.096 10 10 DGCE CN(Cc1cncn1Cc1ccccc1)c1ccc2c(c1)OCO2 782522820 KBRLBIMVYXQARH-UHFFFAOYSA-N 321.380 3.297 10 10 DGCE CO[C@@H](C)c1nsc(NCc2ccc3c(c2)CCCN3C)n1 800848658 WQLSTVFAOHRGCT-NSHDSACASA-N 318.446 3.240 10 10 DGCE Cc1c(Cl)c(CN[C@@H](C)c2ccc(N(C)C)cc2)nn1C 817410868 UJWBUPWYYKLHAE-NSHDSACASA-N 306.841 3.299 10 10 DGCE C[C@H](NC[C@@H]1C[C@H]1C1CC1)c1ccc(N2CCOCC2)c(F)c1 834906279 NZBCARKMDRARDU-JQFCIGGWSA-N 318.436 3.359 10 10 DGCE CC[C@H](N[C@@H](C)c1ccc(N2CCCCCC2)cc1)C(=O)NC 834909766 ATGNGCNLOXEEJI-YJBOKZPZSA-N 317.477 3.242 10 10 DGCE C[C@H](O)[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccccc1F 846015608 CROKFUOURWIXEI-SGTLLEGYSA-N 320.383 3.243 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@@H](C)C3CCSCC3)C2)cc1 850486825 DHBLNYXVFKTFAJ-GOEBONIOSA-N 320.502 3.395 10 10 DGCE Cc1cc(C(=O)Nc2ccc(N)cc2)c(C)n1C1CCOCC1 852789536 BCABLXURGXPJNI-UHFFFAOYSA-N 313.401 3.291 10 10 DGCE COc1ccc2c(c1)N(C(=O)/C=C/c1cccnc1C)CCC2 856078472 RFHYZDQJRPIHCE-CSKARUKUSA-N 308.381 3.391 10 10 DGCE CCC(F)(F)CNCc1cc(Br)cc(OC)c1O 858259685 ZCKAKMMKRDCMPS-UHFFFAOYSA-N 324.165 3.298 10 10 DGCE COc1ccc2ccc(O)c(CN3CCO[C@H](CCF)C3)c2c1 863318198 UMGYROIYLBURMH-OAHLLOKOSA-N 319.376 3.114 10 10 DGCE Oc1ccc(Cl)c(F)c1CN[C@H](C1CCC1)[C@H]1CCOC1 865761849 IMXQTYILNRNIRN-MEDUHNTESA-N 313.800 3.480 10 10 DGCE Cc1ccc(O)c([C@@H](C)NCc2nc(CN(C)C)cs2)c1 903223064 SLDXIWSWMFPTMS-GFCCVEGCSA-N 305.447 3.070 10 10 DGCE C[C@H](NCc1ncc(Br)[nH]1)c1ccc(N(C)C)cc1 922014466 IMPBPMJKXWARHM-JTQLQIEISA-N 323.238 3.089 10 10 DGCE Oc1ccccc1CN(C[C@H]1CCC2(COC2)O1)C1CCCC1 929635515 NIUXIVMXHJWPOF-QGZVFWFLSA-N 317.429 3.085 10 10 DGCE C/C(=C/C(=O)N1C[C@@H](C)Sc2ccccc21)c1cnccn1 1126993798 ZVTFXHRDRLHERZ-KIWPFMIBSA-N 311.410 3.407 10 10 DGCE C[C@H](NC(=O)c1nccc2occc12)c1ccc(N(C)C)cc1 1128247909 WGZCEHIIJKDXQO-LBPRGKRZSA-N 309.369 3.385 10 10 DGCE C[C@H](NC(=O)CCc1nc2ccccc2[nH]1)c1ccccc1O 1151892698 VYFWTDDRICCSFO-LBPRGKRZSA-N 309.369 3.079 10 10 DGCE COc1ccc(N2CCN(CCCC(C)C)CC2)c(OC)c1 1208737481 MPFRWBPKJZOQNP-UHFFFAOYSA-N 306.450 3.262 10 10 DGCE Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCC(C)(C)[C@@]1(O)CCOC1 1326216902 XPLAJGDCCICXBS-PJIJBLCYSA-N 319.445 3.016 10 10 DGCE Cc1cccc(-n2c(C)cc(C(=O)NCC3=CCOCC3)c2C)c1 1326545710 VFPHCCKVJHXOOI-UHFFFAOYSA-N 324.424 3.479 10 10 DGCE Cc1cc(O)c(CN2CCO[C@@](C)(C(F)F)C2)cc1Cl 1330434201 HQHSZXYXKGBBRI-CQSZACIVSA-N 305.752 3.210 10 10 DGCE Cc1ccc(CCC(=O)NCc2c(O)cccc2F)c(C)c1 1558454233 BZUQLINHQKNXDT-UHFFFAOYSA-N 301.361 3.397 10 10 DGCE CCc1ccc([C@@H](C)CC(=O)NCc2cc(O)ccc2O)cc1 1643881921 KOSNHEZXXWOBEV-ZDUSSCGKSA-N 313.397 3.470 10 10 DGCE Cc1c(CC(=O)N[C@H](C)c2ccccc2O)cccc1[N+](=O)[O-] 1648889537 ASOGRPBHUQMKJP-GFCCVEGCSA-N 314.341 3.029 10 10 DGCE O=[N+]([O-])c1cccc(/N=N/N2CCN(c3ccccc3)CC2)c1 1860486655 DCDDZVIKFURNRQ-ISLYRVAYSA-N 311.345 3.416 10 10 DGCE CCC1=NN(Cc2ccc(F)cc2)C(=O)/C1=C/c1ccncc1 1865673385 BIVNGNADYLBXKP-LFIBNONCSA-N 309.344 3.413 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN(Cc2ncc(Br)s2)C1 1912153035 ZKXROZDZMANZNZ-QMMMGPOBSA-N 316.228 3.428 10 10 DGCE CN[C@H](c1ccccc1O)[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 1936987654 URYFKDAJPGRCDF-INWMFGNUSA-N 320.433 3.346 10 10 DGCE C[C@H](O)c1ccc(N2C[C@@H](F)[C@H](C)C2)cc1Br 1947313778 VZVZLQFJLJIRST-VYUIOLGVSA-N 302.187 3.297 10 10 DGCE Oc1c(Br)cccc1CN1CC[C@H](CCF)C1 1969935127 BFONFEBHMXHKII-JTQLQIEISA-N 302.187 3.336 10 10 DGCE CN(Cc1ccc(N)cc1)C(=O)CCCOCc1ccccc1 1976715633 NRMUTVLMDYQKRE-UHFFFAOYSA-N 312.413 3.224 10 10 DGCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@H]1CCC[C@@H]1O 1977929742 NEZPMQQQCYQJRF-CVEARBPZSA-N 320.433 3.061 10 10 DGCE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(N)c1ccccc1O 1978246062 DVHKFQXYTXDDFK-FZKQIMNGSA-N 320.433 3.213 10 10 DGCE CC1=C(Br)CCN(c2ccc(CO)cc2F)C1 2020985113 JHQOKKGOMMXCNU-UHFFFAOYSA-N 300.171 3.197 10 10 DGCE C[C@H](c1ccc(F)cc1O)n1nc(C2CC2)cc1CN(C)C 2070138922 XRHSEJUIZPQSLE-LLVKDONJSA-N 303.381 3.276 10 10 DGCE CCN(Cc1ccc(N)cc1)C[C@@]1(Br)CC1(F)F 2082494274 QPQMXIACFVRQIX-LBPRGKRZSA-N 319.193 3.263 10 10 DGCE CN[C@@H](C)c1ccc(N2CC=C[C@H]2CF)cc1Br 2082870589 JDTVIWGIMRYCBN-JQWIXIFHSA-N 313.214 3.444 10 10 DGCE Cc1c(Br)cnc(Oc2ccc(N)cc2)c1[N+](=O)[O-] 2128521626 DELOZECDTFBAQJ-UHFFFAOYSA-N 324.134 3.435 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC12COC(CF)(C1)C2 2137872317 YWVKRPCHPFDQOM-UHFFFAOYSA-N 306.164 3.060 10 10 DGCE C[C@@H]1CCOCC[C@H]1N(C)c1cc(Cl)c(CN)cc1F 2177383424 MPNFTIWKFHXFJB-QMTHXVAHSA-N 300.805 3.189 10 10 DGCE Cc1nn(C)c(N[C@H](C)c2ccccc2O)c1Br 2219656977 ZJVPQVUDYXFJRX-MRVPVSSYSA-N 310.195 3.370 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)c1ccc(Cl)nc1Cl 2225794108 CORPYZBWYQOWSV-HTQZYQBOSA-N 300.149 3.350 10 10 DGCE CSc1ncc(CNC(=O)[C@H]2CC(F)(F)C23CCC3)s1 2284539958 WWKMUWPNJYWOAW-SECBINFHSA-N 318.414 3.307 10 10 DGCE O=C(C=Cc1cccnc1)N1CCOc2c(Cl)cccc21 2299572198 XKXAEAIIUTZDGI-UHFFFAOYSA-N 300.745 3.174 10 10 DGCE Cc1ccc(CN[C@@H]2[C@@H](C)C2(F)F)c(O)c1Br 2307565242 KZTXMFJTZXOKEX-RDDDGLTNSA-N 306.150 3.206 10 10 DGCE Cc1ccc(CNC(=O)[C@]2(C)C[C@@H]2C)c(O)c1Br 2327590805 BXCFTOJHONTOIO-LKFCYVNXSA-N 312.207 3.125 10 10 DGCE CC[C@@H](N)CCN(C)Cc1ccc(C)c(Br)c1O 2327594708 OWZASJOFESZJCE-GFCCVEGCSA-N 315.255 3.022 10 10 DGCE Cc1ccc(CNCCOC2CCC2)c(O)c1Br 2327628960 MQLMRZHYJBPVDY-UHFFFAOYSA-N 314.223 3.122 10 10 DGCE O=[N+]([O-])c1ccc(O)c(CN(C[C@@H]2CCCO2)C2CCCC2)c1 173578539 ZFYMDODOVXXHMC-INIZCTEOSA-N 320.389 3.224 10 10 DGCE CCCNCc1ccc(N(CCO)Cc2ccccc2)c(C)c1 302932408 MCZAOLALJLHAOJ-UHFFFAOYSA-N 312.457 3.494 10 10 DGCE COc1ccc(N(C)Cc2nc(-c3ccoc3)no2)cc1F 121772953 VYTOAWFJDLZSJB-UHFFFAOYSA-N 303.293 3.114 10 10 DGCE Cc1cncc(/C=C/C(=O)NCc2ccc(N(C)C)cc2C)c1 129833361 KIQJMQLRCYTIME-VMPITWQZSA-N 309.413 3.094 10 10 DGCE Cc1ccc([C@@H](C)NCCCc2nc(C(C)C)no2)c(O)c1 185319468 PFYCPRGBVASFHP-CYBMUJFWSA-N 303.406 3.490 10 10 DGCE CCN(CCN[C@@H](C)c1cc(O)ccc1O)C(=O)OC(C)(C)C 227652206 YEEQKJQRLDXYRS-LBPRGKRZSA-N 324.421 3.005 10 10 DGCE Cc1cc(NC(=O)c2cc(C)n(-c3ccccc3)c2C)n(C)n1 47232669 LUPDNKSBXUIMEW-UHFFFAOYSA-N 308.385 3.388 10 10 DGCE Nc1ccc(CCC(=O)N(Cc2cccs2)C2CC2)cc1 40322053 OSKAACYGUAHFPC-UHFFFAOYSA-N 300.427 3.454 10 10 DGCE C[C@@H](N)c1ccc(N2CCSCC2)cc1Br 235219428 OMLBHBRODYTKGH-SECBINFHSA-N 301.253 3.022 10 10 DGCE COc1ccc(N(C)C(=O)/C=C\c2cncc(C)c2)cc1F 255377334 MTMKCZKSHLPMPO-DAXSKMNVSA-N 300.333 3.214 10 10 DGCE Cc1cccc(-n2c(C)cc(C(=O)N(C)CCCCO)c2C)c1 276420402 IXCMHRGJSMXWGA-UHFFFAOYSA-N 314.429 3.247 10 10 DGCE O=C(NCc1cc(Br)ccc1O)C1(F)CCCC1 804733665 XDQPUFKMRVUEDF-UHFFFAOYSA-N 316.170 3.053 10 10 DGCE O=[N+]([O-])c1cc(CNC2C[C@H]3C[C@@H]3C2)ccc1N1CCCCC1 818237520 MLASLHKKXLZNIY-HUUCEWRRSA-N 315.417 3.473 10 10 DGCE CC[C@@H](N[C@H]1CNCCC1(F)F)c1cc(Cl)ccc1O 817980117 IUUILYBMZUXUKA-YPMHNXCESA-N 304.768 3.084 10 10 DGCE C[C@H](NC[C@@H]1CC[C@@H](C(F)(F)F)O1)c1c(O)cccc1F 903176582 QOKTVZBHBKXICI-AUTRQRHGSA-N 307.287 3.292 10 10 DGCE COC(=O)c1cc(CN2CCCc3cc(OC)ccc32)c(C)o1 747449297 GUTSVPCWJGDRIB-UHFFFAOYSA-N 315.369 3.336 10 10 DGCE C[C@H](CO)C1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 846057223 FMBUFMMBPYRCDD-DWTRPJMMSA-N 302.462 3.106 10 10 DGCE COc1cccc([C@H](C)NCC[C@H](OC)C(F)(F)F)c1O 846162400 ARMQSIMHSZUJMF-CABZTGNLSA-N 307.312 3.019 10 10 DGCE CC(C)(C)c1cc(O)c(O)c(CN2CCO[C@@H](C3CCC3)C2)c1 840177115 VCCOGCZQASZCNW-QGZVFWFLSA-N 319.445 3.396 10 10 DGCE C[C@H](NC[C@@H]1CNCCC1(F)F)c1ccc2ccccc2c1O 925787019 YRKGHOPMSWGIAE-JSGCOSHPSA-N 320.383 3.441 10 10 DGCE Cc1cc(C2(NCc3cc(Cl)ccc3O)CCOCC2)on1 858325493 BULDHKVOEHJPPF-UHFFFAOYSA-N 322.792 3.138 10 10 DGCE COc1ccc(N2CC[C@@H](CN[C@@H]3CCCC34CC4)C2)cc1 850474257 KXZWEUQQHAUWSA-MAUKXSAKSA-N 300.446 3.444 10 10 DGCE CCC[C@H](C)CC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855229226 ITIVAIHTRBYVGO-GJZGRUSLSA-N 304.434 3.216 10 10 DGCE CCOc1ccc(CN2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c(O)c1 757864682 BTCHDWOVSPWHEI-WBVHZDCISA-N 307.434 3.020 10 10 DGCE CS[C@@H](C)CCNCc1ccc(Br)cc1O 691464903 HIFRWTLECCGADK-VIFPVBQESA-N 304.253 3.386 10 10 DGCE CC(C)Oc1ccccc1CC(=O)NCc1c(O)cccc1F 928710398 CWHFTZQCJRLKCL-UHFFFAOYSA-N 317.360 3.177 10 10 DGCE C[C@H](NCc1nc(-c2ccccc2)n[nH]1)c1ccc(F)cc1O 756867243 HKHGWORDDXUFTL-NSHDSACASA-N 312.348 3.167 10 10 DGCE COc1cc(C)c(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1C 769697759 UWFACPYQNOASKQ-FNORWQNLSA-N 313.353 3.375 10 10 DGCE CC(C)[C@@H](C)CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O 761361394 MLNYTPBTHPTBFZ-NSHDSACASA-N 324.808 3.102 10 10 DGCE C/C(=C\C(=O)N1C[C@H](C)Cc2cccc(F)c21)c1cnccn1 876417824 QCNGNXRJNYEVNH-AUWXEVLLSA-N 311.360 3.244 10 10 DGCE CC(C)(CCNC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 1136375510 SHLHQAUAZYXTHN-UHFFFAOYSA-N 313.397 3.124 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(N)[C@@H]1c1ccc(Cl)cc1O 1959192867 RRTMEJIGTONPRR-UOWOHEGISA-N 324.808 3.055 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@]1(C)CNc1ccc(N)cc1 1959359622 NHPPFJCFCGNJIE-KRWDZBQOSA-N 305.422 3.470 10 10 DGCE COc1cc(Cl)cc(CN[C@H]2CCS[C@H](C)C2)c1O 1343288370 UHDJSXKTTHWPMH-SKDRFNHKSA-N 301.839 3.428 10 10 DGCE CC[C@@H](C(=O)NCc1c(O)ccc2ccccc12)N(CC)CC 1157041382 FVMCTHPVYXQITH-KRWDZBQOSA-N 314.429 3.282 10 10 DGCE C[C@@H](NC(=O)Cc1cccc2cccnc12)c1ccccc1O 1302530149 BSOYUHZKWRWFSC-CYBMUJFWSA-N 306.365 3.360 10 10 DGCE CN(Cc1cc(Cl)cc(Cl)c1O)[C@H]1COCC1(F)F 1888232727 DCETWNKYPHVKSW-JTQLQIEISA-N 312.143 3.165 10 10 DGCE COc1ccc2c(c1)NC1(CCCCC1)CN2CC(C)(C)N 76931082 ILWFSKQUXSBMOV-UHFFFAOYSA-N 303.450 3.367 10 10 DGCE O=C(NCc1c(O)cccc1F)c1cc2c(cc1O)CCCC2 1178412877 JBSDJEWVOLPVFZ-UHFFFAOYSA-N 315.344 3.046 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C1(CF)CCC1 1261496698 ZSNPBJFCHJIEOO-AWEZNQCLSA-N 306.425 3.248 10 10 DGCE CC(C)CN(C(=O)/C=C/c1cncc(F)c1)c1ccc(F)cn1 1527093912 AHNJMHFPWVAZGE-ZZXKWVIFSA-N 317.339 3.457 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(Cl)cc2N)c1 1465992315 JHJCHGQJSOFDGT-SECBINFHSA-N 320.776 3.127 10 10 DGCE O=C(/C=C\c1ccc(Cl)nc1)N1CCCn2ncc(Cl)c21 1532491681 CASBGYVGJAYASV-HYXAFXHYSA-N 323.183 3.035 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)[C@H]1CCC[C@H](N(C)C)C1 1545505091 TZLPSBKNJDLCMT-RDJZCZTQSA-N 318.461 3.251 10 10 DGCE CC(C)Oc1ccc(C(=O)NCc2c(O)cccc2F)cc1 1558454888 GLCOHWLJSQSBOL-UHFFFAOYSA-N 303.333 3.249 10 10 DGCE COc1cccc(CNC(=O)/C=C(/C)c2ccccc2C)c1O 1566373865 JDEQTHLTQFNSJY-KAMYIIQDSA-N 311.381 3.429 10 10 DGCE CCC1(C(=O)N(C)CCCNCc2ccc(OC)c(C)c2)CC1 1569237986 ZJDHEIBQFOXNCY-UHFFFAOYSA-N 318.461 3.132 10 10 DGCE C/C(=C/c1ccncc1)C(=O)NCc1cc(Cl)ccc1O 1644590812 QBEQXJMQTCASEL-FLIBITNWSA-N 302.761 3.160 10 10 DGCE O=[N+]([O-])c1ccc2nc(N3Cc4cccc(O)c4C3)sc2c1 1651353492 XBWFVGZIDYJZDD-UHFFFAOYSA-N 313.338 3.430 10 10 DGCE Cc1ncccc1/C=C/C(=O)N1CCN(C2CC2)c2ccccc21 1585771910 RFMIHDXZSPBZKT-DHZHZOJOSA-N 319.408 3.419 10 10 DGCE C[C@@H]1Cc2cc(NC(=O)/C=C\c3ccc(O)c(O)c3)ccc2O1 1652972582 JITQIVHHXJNASV-KGHNQEBZSA-N 311.337 3.073 10 10 DGCE CC[C@H](CN(CC)Cc1cc(Br)ccc1O)OC 1657431360 LKXZZYLKADHYAQ-CYBMUJFWSA-N 316.239 3.402 10 10 DGCE COc1ccc(CNC[C@H](C)N(C)C(=O)CC2CCC2)cc1C 1666876739 KCOIGEIIUIPEMC-HNNXBMFYSA-N 318.461 3.130 10 10 DGCE NCc1ccc(N(Cc2ccccc2)[C@H](CO)C2CC2)cc1F 1915186358 KOOHMUNMHGBFAQ-LJQANCHMSA-N 314.404 3.062 10 10 DGCE C[C@H](CO)N(Cc1ccccc1)c1ccc(CNC2CC2)cc1 1914292902 BOJUPXVFZBKRDR-MRXNPFEDSA-N 310.441 3.326 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@]2(COc3ccc(N)cc3)CC[C@H]1C2 1900143151 FRDOQZNZSDQSQJ-KBXCAEBGSA-N 318.417 3.437 10 10 DGCE C[C@H](O)CN(Cc1ccccc1)c1ccc(CO)cc1Cl 1914609141 LZNYUSXAGUMEKE-ZDUSSCGKSA-N 305.805 3.220 10 10 DGCE CC(C)(C)OC(=O)N1CCN(c2ccc(N)cc2)[C@H]2CCC[C@H]21 1902321930 SLQCRFQANFLXNL-JKSUJKDBSA-N 317.433 3.247 10 10 DGCE COCCC1CC(NCc2c(O)cccc2Br)C1 1967850286 JYAWKIULTQXDIY-UHFFFAOYSA-N 314.223 3.059 10 10 DGCE C[C@H]1CN[C@H](C)CN(Cc2cc(Cl)cc(Cl)c2O)C1 1921507687 JCUSJGKPCMRCDJ-VHSXEESVSA-N 303.233 3.129 10 10 DGCE CC[C@H](CNC(=O)OC(C)(C)C)NCc1cccc(C)c1O 227724013 CCOWHJYYRPYSAY-CQSZACIVSA-N 308.422 3.094 10 10 DGCE C[C@@H](N[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)c1ccc(F)cc1O 1938282004 PIWVVZORGCIOSK-RAIGVLPGSA-N 324.396 3.238 10 10 DGCE Oc1c(Br)cc(Cl)cc1[C@H]1NCCC1(F)F 1952775581 PQKJBISGXAQOHV-SECBINFHSA-N 312.541 3.478 10 10 DGCE CN(C)c1ccc([C@@H](N)[C@@]2(C)CCN2C(=O)OC(C)(C)C)cc1 1977944483 GOISSPNPKHHLGJ-CRAIPNDOSA-N 319.449 3.152 10 10 DGCE C[C@H]1CCCN(c2ccc(N)cc2)[C@@H]1CNC(=O)OC(C)(C)C 1977978064 HPINSQRQTCCNDV-XJKSGUPXSA-N 319.449 3.398 10 10 DGCE CN(C)c1ccc([C@H](N)C[C@H]2CCN2C(=O)OC(C)(C)C)cc1 1979163780 XFCSYKCFSZQVPT-HZPDHXFCSA-N 319.449 3.152 10 10 DGCE C[C@@H](O)c1ccc(N2CCC(=CBr)C2)c(F)c1 2004779553 MHKDTYZEVOMDMM-SECBINFHSA-N 300.171 3.368 10 10 DGCE CCN[C@H](c1ccccc1O)[C@H]1CC[C@H]1NC(=O)OC(C)(C)C 1994870576 KFIFOAHNLMIUSJ-BJJXKVORSA-N 320.433 3.346 10 10 DGCE C[C@@H](O)c1ccc(N2CC3(F)CC2C3)c(Br)c1 2002410202 HARWOWMUSDGHES-NCZMNARYSA-N 300.171 3.193 10 10 DGCE Nc1ccc2c(ccn2C[C@@]2(Br)CC2(F)F)c1 2023787179 ZMJQUUPCHODRKO-NSHDSACASA-N 301.134 3.396 10 10 DGCE C[C@H](c1c(O)cccc1O)N(CCCN)Cc1ccccc1 309803337 YJXIINUNAYGEFR-CQSZACIVSA-N 300.402 3.010 10 10 DGCE COc1ccc(O)c([C@@H](C)n2nc(-c3ccccc3)cc2CN)c1 2070123989 UBPJWIQSBNOHFT-CYBMUJFWSA-N 323.396 3.332 10 10 DGCE CNCc1ccc(N2CC[C@@H]3CC[C@H]3C2)cc1Br 2068256165 XFFAIHBOGNCQEJ-AAEUAGOBSA-N 309.251 3.405 10 10 DGCE CN(CC(F)(F)C(F)(F)F)c1ccc(CO)c(Cl)c1 2113826615 UUMNHKBVHJFMBH-UHFFFAOYSA-N 303.658 3.466 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)[C@](N)(c2ccccc2O)C1 2211281017 QKLNFRVXLDVTIY-LXIYXOSZSA-N 320.433 3.212 10 10 DGCE CNCc1ccc(N2CC[C@@H](OC(F)(F)F)C2)cc1Cl 2238904691 LHMZOGRHQSMDSA-LLVKDONJSA-N 308.731 3.175 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CC[C@H]2OCC[C@H]2C1 365938755 XVJXSKKRGZQDSS-TVQRCGJNSA-N 302.201 3.310 10 10 DGCE CCS[C@@H]1CC[C@@H](N(C)C(=O)C=Cc2ccc(O)c(O)c2)C1 2307987738 HLIWZMDKTPQLOF-ZIAGYGMSSA-N 321.442 3.244 10 10 DGCE Oc1ccc(Br)cc1CN[C@@H]1C[C@@H]2C[C@H]1[C@H]1C[C@H]21 2309575655 RNOJMAXUNVQNNH-PXSMZSCLSA-N 308.219 3.289 10 10 DGCE Cc1ccc(CNc2cnc(C)n2C)c(O)c1Br 2327594542 AHAWFRVNHNAQCZ-UHFFFAOYSA-N 310.195 3.117 10 10 DGCE Cc1ccccc1N1C(=O)CN(Cc2cccs2)C1=S 216319 XDSSPKICARIJEZ-UHFFFAOYSA-N 302.424 3.190 10 10 DGCE CN(C)c1ccc(CNC(=O)NCCC2=CCCC2)cc1F 126324878 QINVAIXVQVJTIR-UHFFFAOYSA-N 305.397 3.191 10 10 DGCE O=S(=O)(/C=C/c1ccc(F)cc1)Nc1ccc(O)cc1F 184620470 HHGBLPJAXDFWCR-BQYQJAHWSA-N 311.309 3.083 10 10 DGCE CCCOc1ccc(CNc2nncn2-c2ccccc2)c(O)c1 191583887 LIQFGUJMOGEMQG-UHFFFAOYSA-N 324.384 3.374 10 10 DGCE Cc1ccc(C2=NC(=O)/C(=C\c3ccc(O)cc3O)S2)cc1 208095958 INYSEOCTYRTOIX-OVCLIPMQSA-N 311.362 3.467 10 10 DGCE CNCc1ccc(N2C[C@H]3CCC[C@H]3C2)c(Br)c1 234436292 YASAVKWJOFTTSK-BETUJISGSA-N 309.251 3.405 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)/C=C\c2ccc(F)cc2)c1 255077609 ODWTWCFUVBSXRV-DUWGPSABSA-N 315.344 3.431 10 10 DGCE Cc1ccccc1[C@H]1C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1 374158918 HZFKKXGQXKDEDA-ORPAJBSMSA-N 323.392 3.482 10 10 DGCE COc1ccc(N(C)Cc2ncccc2Br)cc1 386385916 USDXKTXOBAZCHK-UHFFFAOYSA-N 307.191 3.489 10 10 DGCE CCC[C@H](c1cccc(OC(F)(F)F)c1O)N1CCOCC1 575303340 CSWGHJJOWOHPNG-GFCCVEGCSA-N 319.323 3.464 10 10 DGCE CCOC[C@@H]1CCCN1Cc1cc(Br)ccc1O 696573999 KWRHGPNIDVMACF-ZDUSSCGKSA-N 314.223 3.156 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)c1cc(Cl)ncc1Cl 701323043 JVADSHHPWPLKDD-ZETCQYMHSA-N 300.149 3.303 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@H]3[C@H](C2)C3(F)F)cc1Br 715519768 COBWCZFMOIYXTD-GGVZMXCHSA-N 318.161 3.204 10 10 DGCE CN(CC1CCN(Cc2ccccc2)CC1)c1ccc(CN)cc1 719956335 YRWBMBCSRCSOBJ-UHFFFAOYSA-N 323.484 3.494 10 10 DGCE COc1ccc2c(c1)N(C(=O)/C=C/c1ccc(C)nc1)C[C@@H](C)O2 754317057 KGPJNMWSVWPVIT-VIIAAUOXSA-N 324.380 3.226 10 10 DGCE COC(=O)c1ccc(O)c([C@@H](C)NCC2CCC(OC)CC2)c1 756640897 DMOUCWKWRKSQSA-DNOWBOINSA-N 321.417 3.035 10 10 DGCE COc1ccc(N2CCN(Cc3ccc4c(c3)COC4)CC2)cc1 768139066 AEFSZJKKDDZATR-UHFFFAOYSA-N 324.424 3.048 10 10 DGCE COCc1ccsc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 773007381 HZJHRXVZTDRRHO-LBPRGKRZSA-N 318.442 3.452 10 10 DGCE CCN(C)c1ccc(CN[C@@H](c2ccccc2)c2nc[nH]n2)cc1 773887070 AGBSWOZQJVDBRH-SFHVURJKSA-N 321.428 3.140 10 10 DGCE C[C@@]1(c2ccccc2)CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 779527436 LFWUQIQBORVYMI-CIGMURNLSA-N 323.392 3.301 10 10 DGCE Oc1cc2c(cc1CN1CCC([C@@H]3CCOC3)CC1)CCC2 784007552 OALXHXMPYIXKMA-QGZVFWFLSA-N 301.430 3.129 10 10 DGCE COc1cccc(CNC(=O)C23CC(c4ccccc4)(C2)C3)c1O 790788150 SPENHWQGPJSEFO-UHFFFAOYSA-N 323.392 3.139 10 10 DGCE C[C@H](N[C@@H](C)[C@@H](O)c1ccccc1)c1cc(F)cc(F)c1O 808721088 HORBHWMZJKWCLH-XMZIXOGTSA-N 307.340 3.443 10 10 DGCE CCCN(CCC)c1ccc(CNCCc2cn[nH]c2)cc1 810165905 HANYNFKXCLNACM-UHFFFAOYSA-N 300.450 3.368 10 10 DGCE Cc1cc(N(C)C)ccc1CN1Cc2c[nH]nc2CC(C)(C)C1 828014016 QWVKTIILJZBHAL-UHFFFAOYSA-N 312.461 3.369 10 10 DGCE COC(=O)c1ccc(O)c([C@@H](C)NC[C@H](C)CC(F)F)c1 842891027 WIRZYYVPTUCHKP-NXEZZACHSA-N 301.333 3.121 10 10 DGCE COc1ccc(N2CCC(NC[C@H]3CCC[C@H](C)O3)CC2)cc1 850379398 NQFDNPZGCKCJHT-HNAYVOBHSA-N 318.461 3.211 10 10 DGCE COc1ccc(N2CC[C@@H](NC3CC(OC(C)(C)C)C3)C2)cc1 850487544 IBPOJXJHPWUKFF-KSTDHSDQSA-N 318.461 3.210 10 10 DGCE Oc1ccccc1CN(CC1C[C@@H]2C[C@H]2C1)C[C@H]1CCCO1 851841369 PUKGCEFSOLFVSS-KZNAEPCWSA-N 301.430 3.419 10 10 DGCE CC(C)c1ccccc1OCC(=O)N1Cc2cccc(O)c2C1 871197786 DPHQJEDHFZVKKG-UHFFFAOYSA-N 311.381 3.437 10 10 DGCE COc1cccc(O)c1CN1CCC[C@H](OC2CCC2)CC1 872259888 CQVZPWVRKXKNPR-HNNXBMFYSA-N 305.418 3.324 10 10 DGCE C/C(=C/c1cccnc1)C(=O)N1C[C@@H](C)Oc2cc(F)ccc21 1126538937 ZBSFYDVJLSFUMB-LLBKUYECSA-N 312.344 3.438 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCN1C(C)(C)C 1139123828 KZRIGLLTLKAWCV-INIZCTEOSA-N 318.461 3.394 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)c1cc2ccsc2[nH]1 1142728505 WBLFISXDZFYMTA-UHFFFAOYSA-N 323.377 3.413 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2ncoc2-c2ccccc2)c1 1147957575 TUSCQEUPRRKYBR-UHFFFAOYSA-N 308.337 3.286 10 10 DGCE CO[C@@]1(C)C[C@H](N(C)Cc2cc(F)cc(C(C)=O)c2O)C1(C)C 1167491013 KJKUOQXQQGBWBY-YJBOKZPZSA-N 323.408 3.369 10 10 DGCE COc1ccc(CN[C@H](C)CN(C)C(=O)CC(C)(C)C)cc1C 1283572657 NLJBJOGRQMDSDE-OAHLLOKOSA-N 320.477 3.376 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)C(C)(C)C(F)(F)F 1349835949 ROIOTWAYKHTOSS-UHFFFAOYSA-N 310.312 3.083 10 10 DGCE CC(C)N(Cc1cccc(F)c1)C(=O)Cc1ccc(O)c(O)c1 1543758568 CWNHBGPUUPKGMC-UHFFFAOYSA-N 317.360 3.217 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)Nc1c(O)cccc1Cl 1556784088 JYECJAXEUMLODE-FNORWQNLSA-N 305.717 3.109 10 10 DGCE CCN(C)c1ccc(CN2C[C@H](C)O[C@@](C)(C(F)F)C2)cc1 1560014163 LWDUNWXOOGIJSN-SUMWQHHRSA-N 312.404 3.387 10 10 DGCE O=C(Nc1c(Cl)ccc2nonc12)c1cc2ncccc2o1 1586682828 JDPOSPBAHHGBNS-UHFFFAOYSA-N 314.688 3.270 10 10 DGCE Cc1ccc(CCC(=O)NCc2ccc3cccnc3c2O)cc1 1638569496 GGJYMXWFRPXXKX-UHFFFAOYSA-N 320.392 3.498 10 10 DGCE Cc1ccc(O)c(CNC(=O)NCC(F)(F)c2ccccc2)c1 1673376931 HWLPOTHHRPFZKV-UHFFFAOYSA-N 320.339 3.292 10 10 DGCE CCc1cccc(OCC(=O)N(c2ccc(N)cc2)C2CC2)c1 1857926779 AASUECYYRWUJFH-UHFFFAOYSA-N 310.397 3.406 10 10 DGCE CN(Cc1ccccc1O)c1ccc(CN)c(Br)c1 1877529731 VBBDDUOZEMAJJC-UHFFFAOYSA-N 321.218 3.250 10 10 DGCE NCc1cc(F)c(N2CCSCC(F)(F)C2)cc1Cl 1878897355 SSTUDSYYQFLEGR-UHFFFAOYSA-N 310.772 3.126 10 10 DGCE C[C@@H](C(=O)O)N(Cc1ccccc1)[C@@H](C)c1c(O)cccc1O 1902362689 FOVWHCFQOXPBAV-STQMWFEESA-N 315.369 3.134 10 10 DGCE [N-]=[N+]=NCCCN[C@H](C(=O)O)c1ccc(F)c(Cl)c1F 1912156401 OOGCBYXKSBNQTR-JTQLQIEISA-N 304.684 3.034 10 10 DGCE [N-]=[N+]=NC1CN(CCC(=O)Nc2c(Cl)cccc2Cl)C1 1912160440 WFHZULMTAXZSNU-UHFFFAOYSA-N 314.176 3.317 10 10 DGCE CCN[C@@H](C[C@H](C)NC(=O)OC(C)(C)C)c1ccccc1O 1928471749 LWLUCWMJTTVEAC-JSGCOSHPSA-N 308.422 3.346 10 10 DGCE CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(N)cc1 1959570371 GSQVPDHCSWYUKN-OAHLLOKOSA-N 305.422 3.105 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CN(CCCCN=[N+]=[N-])CC1(C)C 1962302801 CESYSBCDQLIOKT-GFCCVEGCSA-N 311.430 3.312 10 10 DGCE N[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)CC12CCC2 1967999010 CRGOIVRMSQQDFX-ZDUSSCGKSA-N 315.244 3.402 10 10 DGCE CCCN[C@H](c1ccccc1O)[C@H]1C[C@@H]1NC(=O)OC(C)(C)C 1975536655 NBTONFGUXZTRND-OFQRWUPVSA-N 320.433 3.346 10 10 DGCE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CCN1Cc1ccc(N)cc1 1977892825 HZCNVSFNFAAYMR-UONOGXRCSA-N 319.449 3.099 10 10 DGCE C[C@@H](C[C@@H](O)c1ccc(N(C)C)cc1)N(C)C(=O)OC(C)(C)C 1977939094 NUKGMHMDSDEYTG-XJKSGUPXSA-N 322.449 3.432 10 10 DGCE C[C@@H](CCO)N(Cc1ccccc1)c1ccc2c(c1)CC[C@H]2N 1986607024 SMVACBMBLQMRJC-MGPUTAFESA-N 310.441 3.410 10 10 DGCE Cc1ccc(CN[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1 1994457510 CGRDNPJVJHWIIX-LSDHHAIUSA-N 320.433 3.236 10 10 DGCE C[C@H]1N(c2ccc(CO)c(Br)c2)CCC1(F)F 2004602459 JMTYYGYHYAOOTA-MRVPVSSYSA-N 306.150 3.175 10 10 DGCE C[C@@H](F)[C@H]1CCCN1c1ccc(CO)cc1Br 2010503019 ZGBIZGMZTUKTSX-BXKDBHETSA-N 302.187 3.268 10 10 DGCE Oc1c(Br)cccc1CN1C[C@@H](F)C[C@@H](F)C1 2011415984 UUJFRWVLXKVWCU-AOOOYVTPSA-N 306.150 3.037 10 10 DGCE CC[C@H](CN(C)Cc1cc(Br)ccc1O)OC 2014870663 KHLVESZQSCBQQN-GFCCVEGCSA-N 302.212 3.012 10 10 DGCE C[C@H](N)c1ccc2c(c1)CCN2CC1(Br)CCC1 2049203709 DJVVSHJYHIMXDG-NSHDSACASA-N 309.251 3.386 10 10 DGCE COc1ccc(O)c([C@H](C)n2nc(C(C)C)cc2C(=O)O)c1 2069998297 ANMISHJGONYRFZ-JTQLQIEISA-N 304.346 3.028 10 10 DGCE Cc1coc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1 2097820175 OANPHXUYOVGCRQ-UHFFFAOYSA-N 322.169 3.401 10 10 DGCE Nc1ccc(CCOCCc2ccc(Br)cn2)cc1 2119738233 GYRRTYAXNRAHRD-UHFFFAOYSA-N 321.218 3.228 10 10 DGCE CC(C)N[C@@](CCCSc1nccs1)(C(=O)O)C(C)C 2144122541 WFFDIQGJGLSOTH-CQSZACIVSA-N 316.492 3.493 10 10 DGCE CN(Cc1ccc(N)cc1)Cc1ncc(C(F)(F)F)s1 2156066089 JINICDSODCEYJB-UHFFFAOYSA-N 301.337 3.376 10 10 DGCE CN[C@H](c1ccc(N(C)C)cc1)[C@@H](O)c1cscc1Cl 2163132400 BIFGZZZQNUDVPW-CABCVRRESA-N 310.850 3.462 10 10 DGCE CCCN[C@]1(C(=O)O)CC[C@@H](Sc2nccs2)[C@H]1CC 2179107385 SVDWCSILRMXUNV-JTNHKYCSSA-N 314.476 3.247 10 10 DGCE F[C@H]1C[C@H](F)CN(c2ccc(CNC3CC3)cc2Cl)C1 2182606789 VAEDKNSATKHINM-RYUDHWBXSA-N 300.780 3.478 10 10 DGCE CN(Cc1cc(Cl)ccc1O)CC(F)(F)[C@@H]1CCOC1 2185335748 ZDONHPFWIYOHDB-LLVKDONJSA-N 305.752 3.149 10 10 DGCE O=C(O)[C@@](CSc1nccs1)(NC1CC1)C1CCCC1 2208167044 IOUSFPVBQBEQFN-AWEZNQCLSA-N 312.460 3.001 10 10 DGCE Nc1ccc(OCCNc2ccc(N)c(Br)c2)cc1 2229394711 JAYBXDZZNWKQLI-UHFFFAOYSA-N 322.206 3.104 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]([C@H](N)c3ccccc3O)C[C@H]21 2244408014 WOXJCOJOWVFAPO-XKVFNRALSA-N 318.417 3.038 10 10 DGCE CSc1ncc(CNc2snc(N)c2SC)s1 2248700861 NGDZJKBMXWIYPZ-UHFFFAOYSA-N 304.491 3.238 10 10 DGCE Cc1cc(Cl)nc(Cl)c1C(=O)N1CC[C@@H](N=[N+]=[N-])C1 2277888460 JXPBXKYKECNTDG-SSDOTTSWSA-N 300.149 3.222 10 10 DGCE Cc1ccc(C=C2SC(N3C[C@H](C)O[C@H](C)C3)=NC2=O)cc1 2293215404 NWXXQLZGOPJPFQ-BETUJISGSA-N 316.426 3.075 10 10 DGCE O=C1NC(=S)SC1=Cc1ccc(N2CCCCC2)cc1 2294137656 USJXAKSFVAVGIN-UHFFFAOYSA-N 304.440 3.166 10 10 DGCE C[C@H](c1cc(Br)ccc1O)N(CCF)CCF 2301719446 FRCXMQDICGUDCB-SECBINFHSA-N 308.166 3.457 10 10 DGCE CCN(Cc1cccs1)C(=O)C=Cc1ccc(O)c(O)c1 2307982006 JKJFTMFOMNSNPY-UHFFFAOYSA-N 303.383 3.221 10 10 DGCE COC(C)(C)[C@@H](C)NCc1ccc(C)c(Br)c1O 2327613943 ZAAOBZILVMAULL-SNVBAGLBSA-N 316.239 3.366 10 10 DGCE CO[C@@H]1CCC[C@H]1NCc1ccc(C)c(Br)c1O 2327617525 BCLGUILZQMROQL-VXGBXAGGSA-N 314.223 3.120 10 10 DGCE CC1(C)OC(=O)C(=CNc2cc(Cl)ccc2Cl)C(=O)O1 6666375 CJBXDSYUTBKSIA-UHFFFAOYSA-N 316.140 3.125 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNCc1nnc2ccccn12 19999831 DLSNUYZKSHBZAX-UHFFFAOYSA-N 323.183 3.032 10 10 DGCE C[C@@H](CC(=O)NC1=NN(c2ccccc2)C(=O)C1)c1ccccc1 21024860 UOLDVXMOHMTXKO-AWEZNQCLSA-N 321.380 3.047 10 10 DGCE CC[C@@H]1CO[C@@H](C)CN1c1ccc(CN)c(C(F)(F)F)c1 36794458 OTZKBKKPSFJYPW-CMPLNLGQSA-N 302.340 3.168 10 10 DGCE CCCN[C@@](CSc1nccs1)(C(=O)O)c1ccccc1 45596234 PSNVKJMMEPTQPH-OAHLLOKOSA-N 322.455 3.215 10 10 DGCE CN1CCc2cc([C@@H](N)c3nc(C(C)(C)C)cs3)ccc21 50287797 MKIBARBKCADYGN-OAHLLOKOSA-N 301.459 3.481 10 10 DGCE C[C@H]1CC[C@H](C)N(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 73915657 GGBJZWTZQFZMCV-STQMWFEESA-N 307.413 3.222 10 10 DGCE C[C@@H]1CN(c2ccc(/C=C/C(=O)O)cc2Cl)CC(C)(C)O1 164375468 DUEKBGZIQKWWHW-OKPNEXGHSA-N 309.793 3.442 10 10 DGCE CN(CCC(=O)Nc1ccc2c(c1)CCC2)Cc1ccccc1O 171925746 XSNGMABLJJLFOV-UHFFFAOYSA-N 324.424 3.342 10 10 DGCE C[C@@H](Nc1cccnc1Br)c1cc(O)ccc1O 235212947 LIEPBDFVTFQUGY-MRVPVSSYSA-N 309.163 3.428 10 10 DGCE CC(=O)N(C(=S)Nc1nc(C)c(C)s1)c1ccc(N)cc1 243619341 OYMFRPRHXHURNH-UHFFFAOYSA-N 320.443 3.092 10 10 DGCE COC[C@H](C)CN(C)Cc1cc(Br)cc(C)c1O 311009634 XBUBWXFOHYCOSJ-SNVBAGLBSA-N 316.239 3.177 10 10 DGCE C[C@@H](N)c1ccc(N2CCC(F)(F)C2)cc1Br 313358181 OPUFZEMMDIWICM-MRVPVSSYSA-N 305.166 3.314 10 10 DGCE CNCc1ccc(N2CCN(Cc3ccccc3)[C@@H](C)C2)cc1 396323587 ADQOYNXFOQEMJG-KRWDZBQOSA-N 309.457 3.117 10 10 DGCE O=C(/C=C\c1cnccn1)N1CCCc2cc(Cl)cc(F)c21 491639118 IJVSWQCVEFUGKX-ARJAWSKDSA-N 317.751 3.262 10 10 DGCE Cc1ccccc1/C=C\C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 588506458 YFCSQRXVCKEWKW-QQBNSCQMSA-N 311.381 3.167 10 10 DGCE C[C@H]1CN(Cc2cccc(Cl)c2O)C[C@@](C)(C(F)F)O1 705038012 MPQASBHZPVAADL-XPTSAGLGSA-N 305.752 3.290 10 10 DGCE C[C@H]1CC[C@@H](N(C)Cc2c(O)cccc2Br)CO1 707140858 UGQBTPJOUMCDPN-WDEREUQCSA-N 314.223 3.154 10 10 DGCE COc1ccc(O)c([C@H](C)NCCN2[C@@H](C)CCC[C@H]2C)c1 756552482 MGIJRFOAYIGCQI-ZNMIVQPWSA-N 306.450 3.314 10 10 DGCE Cc1cc(C(=O)NCc2cccc(Br)c2O)c(C)[nH]1 765730475 BQSMJRYVYUBHAU-UHFFFAOYSA-N 323.190 3.030 10 10 DGCE Cc1cncc(/C=C/C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 773995319 TZXWIXFNRWHVRL-RNOHYWCBSA-N 309.413 3.347 10 10 DGCE CCN(CC)c1ccc(CNC(=O)N[C@@H]2CSC2(C)C)cc1 801745448 JOAANDNGUVURHV-OAHLLOKOSA-N 321.490 3.226 10 10 DGCE C[C@H](N[C@@H]1CNCC[C@@H]1C)c1ccc(Cl)c(Cl)c1O 817968764 MBVRPDBONKOVEK-HOTUBEGUSA-N 303.233 3.348 10 10 DGCE CN1CCCc2cc(CNC(=O)C(C)(C)C(C)(F)F)ccc21 822867742 JPUGFIJIISUQHZ-UHFFFAOYSA-N 310.388 3.367 10 10 DGCE CCN(CC)c1ccc(CN2CC[C@H]3COC[C@@H]3C2)cc1F 827596227 WVBMVRSVMUGGJI-HOTGVXAUSA-N 306.425 3.140 10 10 DGCE CO[C@H](C)CN(C)C(=O)Cc1cc(C)n(-c2ccccc2)c1C 854445112 MCFQNWZLTZSVIJ-OAHLLOKOSA-N 314.429 3.130 10 10 DGCE COC(=O)C1=CC[C@H](N[C@H](C)c2cc(Cl)cc(C)c2O)C1 858473890 RLFXELRJDNFZIM-MFKMUULPSA-N 309.793 3.266 10 10 DGCE C/C=C/C[C@H]1CCCN(C(=O)NCCc2ccc(N)cc2)C1 861639136 AMSKSCDPIMQLFS-KZSQQDEKSA-N 301.434 3.199 10 10 DGCE C[C@@H]1NCC[C@H]1N[C@H](CCc1ccccc1)c1ccccc1O 863547232 QDVIONHGYMPZDY-KFKAGJAMSA-N 310.441 3.406 10 10 DGCE O=[N+]([O-])c1ccc(O)c(CNCCSCCC(F)(F)F)c1 865788328 MFKFNEABJVAPSM-UHFFFAOYSA-N 324.324 3.076 10 10 DGCE CC[C@@H](NC(=O)N[C@H](C)c1ccccc1O)[C@@H]1CCCCO1 868754259 HLIQCOPCJIGJTJ-XPKDYRNWSA-N 306.406 3.100 10 10 DGCE CC[C@H](NCc1cc(Cl)c(F)cc1O)[C@@H]1CCCOC1 895662198 BSDVUESFIIUWKO-YGRLFVJLSA-N 301.789 3.480 10 10 DGCE O=C(N[C@@H]1CC[C@@H]2C[C@H]2C1)c1cc2cc(O)c(O)cc2s1 898106438 NSIQRGAVESJRSP-WCABBAIRSA-N 303.383 3.231 10 10 DGCE C[C@@H](NCc1ccc2c(c1)CCCN2C)c1cn2c(n1)CCCC2 924869557 HNPZQIPHYZMVRZ-OAHLLOKOSA-N 324.472 3.453 10 10 DGCE c1csc(SCCCN[C@@H](C2CC2)[C@H]2CCCOC2)n1 925104378 YDTVHJGDGQTSQL-KBPBESRZSA-N 312.504 3.420 10 10 DGCE CN(C)c1ccc(/C=C/CNC2(C3CC3)CCOCC2)cc1 1117971231 LCFRFNDKMBWDKC-ONEGZZNKSA-N 300.446 3.315 10 10 DGCE Oc1cc(Br)ccc1CNC1CC2(C1)CC2(F)F 1118594568 UXRYEMPTFYKRJU-UHFFFAOYSA-N 318.161 3.432 10 10 DGCE c1cc(N2CCCC2)ccc1CNCc1ccc2cncn2c1 1261378455 ZSNAIMGNODDZCP-UHFFFAOYSA-N 306.413 3.224 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CCN(C)[C@@H](C(C)C)C2)c1O 1460651905 CQJGQHNLLFMHCB-MRXNPFEDSA-N 324.852 3.020 10 10 DGCE Nc1ccc(C(F)(F)F)cc1C(=O)N1Cc2cccc(O)c2C1 1471355755 UHUHNZLJQQGPMY-UHFFFAOYSA-N 322.286 3.149 10 10 DGCE C[C@@H](Cc1ccco1)NC(=O)c1cc2cc(O)c(O)cc2s1 1540739597 KZTYBNGUDCYUIN-VIFPVBQESA-N 317.366 3.267 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCC[C@H](N(C)C)C1 1545505092 TZLPSBKNJDLCMT-WBVHZDCISA-N 318.461 3.251 10 10 DGCE Cc1nnc(-c2cccc(C(=O)N[C@H](C)c3ccccc3O)c2)o1 1557967181 WQXSCKYAJSIAMC-LLVKDONJSA-N 323.352 3.242 10 10 DGCE C[C@H](CC(=O)NCc1ccc2cccnc2c1O)c1ccco1 1630532706 OTURNVWZBMXMJF-GFCCVEGCSA-N 310.353 3.343 10 10 DGCE C[C@H](NC(=O)c1cncc(Br)c1)c1ccccc1O 1642827926 WELZCWPFGVQLPM-VIFPVBQESA-N 321.174 3.041 10 10 DGCE O=C(NCc1cc(O)ccc1O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 1651225581 PPVQQKKVALEJQA-BFHYXJOUSA-N 303.402 3.321 10 10 DGCE CC/C=C(\C)C(=O)N(C)CCCNCc1ccc(OC)c(C)c1 1733090755 YQMKREQRIBJROM-OVCLIPMQSA-N 318.461 3.298 10 10 DGCE C[C@H](NC(=O)OC(C)(C)C)C(C)(C)[C@H](N)c1ccccc1O 1928837976 LWLMTMZAEZITSS-SMDDNHRTSA-N 308.422 3.331 10 10 DGCE Oc1cc(Cl)ccc1CNCc1cc(Br)no1 1942494726 QDVYZGLEFBDSRS-UHFFFAOYSA-N 317.570 3.086 10 10 DGCE C[C@H]1CCN(c2ccc(N)cc2)C[C@H]1NC(=O)OC(C)(C)C 1959564702 GXJCNJTWKOTGOT-SWLSCSKDSA-N 305.422 3.008 10 10 DGCE C[C@@H]1CN(c2ccc(N)cc2)[C@H](C)CN1C(=O)OC(C)(C)C 1959572370 MHOYZHJILBQLFT-CHWSQXEVSA-N 305.422 3.103 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc(Cl)s1 1968442712 ASTAPDGAZPHPHY-UHFFFAOYSA-N 309.822 3.135 10 10 DGCE Cc1cccc(O)c1CN[C@H]1C[C@H](C)N(Cc2ccccc2)C1 1976877721 SRRNILSVWWBZOD-WMZOPIPTSA-N 310.441 3.453 10 10 DGCE C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1Cc1ccc(N)cc1 1986116172 UGLPDKRWMOODOO-BBRMVZONSA-N 319.449 3.146 10 10 DGCE C[C@H](NCc1ccccc1O)c1ccnn1Cc1ccccc1 1994376612 ATBNNWIFFUAKBV-HNNXBMFYSA-N 307.397 3.488 10 10 DGCE C[C@H](O)c1ccc(N(C)C[C@@H]2C[C@H]2F)c(Br)c1 2014705546 VYJKKIFTANIOQR-PTOFAABTSA-N 302.187 3.297 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)c2snc(Cl)c2Cl)C1 2048318602 ZYCBTHRIWOCUDT-YFKPBYRVSA-N 306.178 3.222 10 10 DGCE COc1cc(Cl)cc(CNCc2cc(Cl)ns2)c1O 2110912385 SEDCHNKFYSXFBD-UHFFFAOYSA-N 319.213 3.454 10 10 DGCE NCCc1cc(N2CCc3c(Br)cccc32)ccn1 2140751234 JVONBHOFOPMXHQ-UHFFFAOYSA-N 318.218 3.040 10 10 DGCE C[C@@H](N)c1ccc(N2CC[C@@H](c3nncs3)C2)c(Cl)c1 2196548085 IKAPLZTWLWQPNJ-MWLCHTKSSA-N 308.838 3.205 10 10 DGCE CCC=CCNCc1c(Br)ccc(OC)c1O 2214883000 OOEDUCACZYUSOU-UHFFFAOYSA-N 300.196 3.219 10 10 DGCE CN(C)c1ccc(OC[C@]2(Br)CC2(F)F)cc1 2215966976 MQBGKLGVRWSXTH-LLVKDONJSA-N 306.150 3.304 10 10 DGCE C[C@H](O)c1ccc(N2CCO[C@@H](P(C)(C)=O)C2)cc1Cl 2289324613 ZPBJZTFHDIYRDO-HZMBPMFUSA-N 317.753 3.179 10 10 DGCE Cc1ccc2nc(CC(=O)O)c(N=Nc3cccc(O)c3)n2c1 2318380342 PDTPBZCOWBUCMJ-UHFFFAOYSA-N 310.313 3.391 10 10 DGCE COCCCCCN(C)c1ccc(CN)cc1Br 2319904151 OTOVKYROFNCFAU-UHFFFAOYSA-N 315.255 3.161 10 10 DGCE CC[C@@H](NCc1ccc(C)c(Br)c1O)C(C)(C)O 2327623287 FWYUKAAEGPTJFA-LLVKDONJSA-N 316.239 3.102 10 10 DGCE CCN1N=C(c2ccc(OC)cc2)C(=Cc2cccc(O)c2)C1=O 2332094919 VNYFWEPWASCGHO-UHFFFAOYSA-N 322.364 3.051 10 10 DGCE O=C1C(=Cc2ccc[nH]2)C(C(F)(F)F)=NN1Cc1ccccc1 2332143361 NQIWVLCNWBPXSI-UHFFFAOYSA-N 319.286 3.359 10 10 DGCE CCCC(CCC)(NCc1cnc(SC)s1)C(=O)O 2349497246 VLLYOLMYNGFAKT-UHFFFAOYSA-N 302.465 3.378 10 10 DGCE CC1(C)CC(Sc2nccs2)(C(=O)O)CC(C)(C)O1 2351874101 GSFZFVCBPGRVOR-UHFFFAOYSA-N 301.433 3.426 10 10 DGCE CCN1[C@H]2CC[C@H]1CN(Cc1cc(Cl)cc(Cl)c1O)C2 2360660146 MIXVPLSIJBKEFJ-STQMWFEESA-N 315.244 3.368 10 10 DGCE CCc1nnsc1CN(C)c1ccc([C@H](C)O)cc1Cl 2361120000 OCEASBLALIYYLH-VIFPVBQESA-N 311.838 3.444 10 10 DGCE COc1cc(C(=O)NCc2cccc(C)c2O)sc1Cl 2365805469 LEAHNWISISYJRA-UHFFFAOYSA-N 311.790 3.354 10 10 DGCE COc1cc(OC)c(N2Cc3cccc(N)c3C2)cc1Cl 36683491 PLPGXFCVNASOHR-UHFFFAOYSA-N 304.777 3.460 10 10 DGCE CCc1cc([C@@H]2CCCN2Cc2ccc(OC)cc2O)on1 64984354 WZAKIJOVSLMHCI-HNNXBMFYSA-N 302.374 3.288 10 10 DGCE COc1ccc2ccn(CCCOc3ccc(N)cc3)c(=O)c2c1 75253702 SWGPVLZBBKEHNF-UHFFFAOYSA-N 324.380 3.061 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)C(=O)Nc1c(F)cccc1F 96785295 QFLKCMKTOCHDBT-VIFPVBQESA-N 307.296 3.193 10 10 DGCE COc1ccc(O)c(CN[C@@H](C)c2ccc(OC)cc2OC)c1 121314961 RIIOYKHEVWUTDA-LBPRGKRZSA-N 317.385 3.269 10 10 DGCE Cc1cc(C(=O)O[C@@H](C)[C@H]2CCOC2)c(C)n1-c1ccccn1 175253167 PRTUOXLVSPGQMJ-GJZGRUSLSA-N 314.385 3.071 10 10 DGCE Oc1ccc2ccccc2c1CN1CCS[C@@H]2COCC[C@H]21 246595777 CXAGUQVBVCYKAE-SJLPKXTDSA-N 315.438 3.252 10 10 DGCE NCc1cc(F)c(N2CC[C@@H]3CCC[C@H]32)cc1Br 378708138 REKUVNOZYASYCT-TVQRCGJNSA-N 313.214 3.426 10 10 DGCE C[C@H](NCc1ccn(Cc2ccccc2)n1)c1ccccc1O 389948057 VMVFGGDVEMYYIG-HNNXBMFYSA-N 307.397 3.488 10 10 DGCE CCN(CC)c1ccc([C@@H](C2CCC2)N2CCOCC2)c(O)c1 575293952 DZNVAHYOEOVSSN-LJQANCHMSA-N 318.461 3.412 10 10 DGCE Nc1ccc(CN2C[C@@H](c3ccc4c(c3)CCC4)OC2=O)cc1 585888769 FKYOPKNESUCWGE-SFHVURJKSA-N 308.381 3.451 10 10 DGCE NCc1ccc(N2CCC[C@H](CCF)C2)c(Br)c1 689379530 YCJGFWNWEVQBGC-LLVKDONJSA-N 315.230 3.484 10 10 DGCE CN(c1ccc(CN)c(C(F)(F)F)c1)[C@H]1CCCSC1 689593494 VXUZWPXBYCKWHU-LBPRGKRZSA-N 304.381 3.496 10 10 DGCE Clc1cc(N2C[C@H]3CSC[C@H]3C2)ccc1CNC1CC1 711549265 AHAKNABCAPMLSZ-BETUJISGSA-N 308.878 3.391 10 10 DGCE CCN(Cc1c(O)cccc1Br)C1CCOCC1 716482435 QPBIMNFOZJBDQX-UHFFFAOYSA-N 314.223 3.156 10 10 DGCE C[C@@H]1CCN(c2ccc([C@@H](C)N)c(Br)c2)CCO1 720430653 GIXNJBATQVCTSX-GHMZBOCLSA-N 313.239 3.084 10 10 DGCE C[C@H](CNCc1c(O)cccc1Br)[C@H]1CCCO1 720608607 JPUXLNJFMUEYRA-QMTHXVAHSA-N 314.223 3.059 10 10 DGCE C[C@@H]1CN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)[C@H](C)[C@@H](C)O1 782623516 YKFUZKZFYZCFGS-KBUPBQIOSA-N 319.449 3.021 10 10 DGCE CCOC(=O)[C@@H]1CC[C@H](N[C@H]2C[C@@H](C)c3c(F)ccc(O)c32)C1 798002823 SZPQTQJSTRUDTJ-NMKXLXIOSA-N 321.392 3.401 10 10 DGCE Cn1nc2c(c1CNCc1cc(Cl)cc(F)c1O)CCCC2 812773777 RBRCFPGTRVMBEC-UHFFFAOYSA-N 323.799 3.087 10 10 DGCE Cc1cc(CN2CCC[C@]3(CCCOC3)C2)ccc1N(C)C 815056374 OUSRGTZKPIATIP-IBGZPJMESA-N 302.462 3.454 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCC[C@@H]1OC 815131829 NJLRHVVXPJPGON-MSOLQXFVSA-N 318.461 3.306 10 10 DGCE C[C@H](NC1C[C@H]2C[C@@H]2C1)c1ccc(N2CCOCC2)c(F)c1 818359370 JMYFKTRYPQCXLZ-NWANDNLSSA-N 304.409 3.111 10 10 DGCE COc1cc(O)c(CNc2ccc3c(c2)CCOC3)cc1OC 827314110 VMFZODRMOOYQLG-UHFFFAOYSA-N 315.369 3.094 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CCC[C@@]3(CCOC3)C2)c1O 832343802 LVQMNVYBYSIFLU-QGZVFWFLSA-N 323.820 3.251 10 10 DGCE CCCN(c1ccc(CN)cc1)[C@@H]1C[C@@H](OCC)[C@@H]1SC 839055886 HMXIHUYZJHNQAX-BRWVUGGUSA-N 308.491 3.271 10 10 DGCE C[C@H](NCCc1cn(C)cn1)c1cc(Cl)c(Cl)cc1O 840766491 NNIIAFYAVIKEPB-VIFPVBQESA-N 314.216 3.326 10 10 DGCE Cc1cc(O)c(CN(CCCO)Cc2ccccn2)c(Cl)c1 840949064 PHYCLZYHEPOPDL-UHFFFAOYSA-N 320.820 3.134 10 10 DGCE C[C@@H](N)c1ccc(CNCc2cc(Cl)cc(F)c2O)cc1 841028969 KCUVPVRIQTYWIJ-SNVBAGLBSA-N 308.784 3.494 10 10 DGCE CC[C@H](N[C@@H](C)c1cc(C(=O)OC)ccc1O)[C@H]1CCCCO1 848567581 ITLYIKXNYJBQMD-YLQAJVPDSA-N 321.417 3.177 10 10 DGCE C[C@H](N[C@@H]1C[C@H](O)c2ccccc21)c1cc(F)cc(F)c1O 850529135 PJHSBVYEFXXIGC-OBPXBXINSA-N 305.324 3.499 10 10 DGCE CCN(CCOC(F)F)Cc1cc(Br)ccc1O 851793110 TVWIBHQLJBSJDM-UHFFFAOYSA-N 324.165 3.216 10 10 DGCE COc1cccc(C(=O)NCc2cc(Cl)ccc2O)c1F 857547434 DECPUYSAMKJRJU-UHFFFAOYSA-N 309.724 3.123 10 10 DGCE C[C@H](NC(=S)NCCc1cccs1)c1ccccc1O 865270693 XODJHZPMPNAAGX-NSHDSACASA-N 306.456 3.222 10 10 DGCE c1csc(SCCCNCc2nnc(C3CC3)s2)n1 893044980 MEHIODNITDKVPR-UHFFFAOYSA-N 312.489 3.144 10 10 DGCE CC[C@H](N[C@H]1C[C@@H]2OC(C)(C)O[C@@H]2C1)c1ccc(F)cc1O 927055854 HRLGVFGQGYMCIF-DLKVLKDVSA-N 309.381 3.255 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)C[C@@H]1CCCCO1 1353910445 JODQMVXBZUAUEG-SFHVURJKSA-N 316.445 3.204 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)CC[C@@H](C)SC 1449124878 SGTAVSOGQFNOPC-LLVKDONJSA-N 302.436 3.026 10 10 DGCE c1cc2c(cc1CN[C@H]1CCCN3CCCC[C@@H]13)CCCO2 1461608276 UVJINHDJJFXWNA-ROUUACIJSA-N 300.446 3.118 10 10 DGCE COc1ccc(-n2c(C)cc(C(=O)Nc3cc(C)[nH]n3)c2C)cc1 1542100268 YFGXZFJQRYOZJW-UHFFFAOYSA-N 324.384 3.387 10 10 DGCE C[C@@H](C(=O)N1Cc2cccc(O)c2C1)c1ccc(F)c(F)c1 1558035328 GRYVKIPSQKZTHJ-SNVBAGLBSA-N 303.308 3.316 10 10 DGCE Cc1ccc(C(=O)N[C@@H](C)[C@@H]2CC3CCC2CC3)c(O)c1O 1631862724 KTGXVHYNRMLPBK-CLTVBZQCSA-N 303.402 3.351 10 10 DGCE O=C(CSc1ccc(Cl)cc1)NCc1ccc(O)cc1O 1638351737 DYPKAZMDPJCMIO-UHFFFAOYSA-N 323.801 3.160 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N1CCC2(CCCCC2)CC1 1640052936 ZRDDEOOIAHBLJS-UHFFFAOYSA-N 303.402 3.213 10 10 DGCE O=C(CCc1cccc(O)c1)NCc1cccc(Cl)c1O 1640405249 OAAAJJIYSCJBEE-UHFFFAOYSA-N 305.761 3.000 10 10 DGCE CCCOC(=O)c1cccc(/N=N/N2CCC(C(=O)O)CC2)c1 1860486880 OURDGRJPLCQTOH-ISLYRVAYSA-N 319.361 3.049 10 10 DGCE CCc1cccc(CNCC=CCNC(=O)OC(C)(C)C)c1O 1911715020 QXTPKBNQYUCTBU-UHFFFAOYSA-N 320.433 3.125 10 10 DGCE C[C@H](O)c1ccc(N(Cc2ccccc2)[C@@H](C)CO)c(F)c1 1914223322 LQCKEYDFZNAMCI-KBPBESRZSA-N 303.377 3.266 10 10 DGCE CCCN(CC[C@H](N)c1ccccc1O)C(=O)OC(C)(C)C 1928470313 CUCLHRMMTBEHGN-AWEZNQCLSA-N 308.422 3.429 10 10 DGCE CN(C(=O)Cc1ccc(N)cc1)C1CC(OCc2ccccc2)C1 1950450056 UCZKTRZXNVBRBI-UHFFFAOYSA-N 324.424 3.018 10 10 DGCE CC(C)(C)OC(=O)N[C@H](CCN=[N+]=[N-])Cc1ccc(O)c(O)c1 1951380376 WKPABUDCCCMVIX-LLVKDONJSA-N 322.365 3.234 10 10 DGCE CC(C)(C)OC(=O)N1CCC(F)(F)[C@H]1c1c(N)cccc1O 1953072407 GZCJGWXMZQTVMU-GFCCVEGCSA-N 314.332 3.292 10 10 DGCE CC(C)(C)OC(=O)N[C@]1(C)CCCN(c2ccc(N)cc2)C1 1959573846 YIWXXKHDEIJPSA-QGZVFWFLSA-N 305.422 3.152 10 10 DGCE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1CCN=[N+]=[N-] 1962301414 VKBIRTXRESMNCI-ZDUSSCGKSA-N 311.430 3.264 10 10 DGCE CN(C)c1ccc([C@@H](O)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 1977958161 LKYVUROPTUNKFA-GOEBONIOSA-N 320.433 3.043 10 10 DGCE CCN[C@@H](c1cc(Br)sn1)c1ccccc1O 2007641850 UOAFYOLIQWTLGC-GFCCVEGCSA-N 313.220 3.310 10 10 DGCE CC[C@H](CNCc1cc(Br)cc(F)c1O)COC 2027331574 LNTZTWRQNSCNIJ-SECBINFHSA-N 320.202 3.056 10 10 DGCE FCC1CN(c2ccc(CNC3CC3)c(Br)c2)C1 2041177595 FRVNWHHKLKPTCW-UHFFFAOYSA-N 313.214 3.107 10 10 DGCE CNCc1ccc(N2C[C@@H]3C[C@@H]3[C@H]3C[C@@H]32)c(Br)c1 2053742705 SOROFILXSBWIEX-OHTBPHCPSA-N 307.235 3.013 10 10 DGCE COc1ccc(O)c(Cn2nc(C(C)C)c(C3CC3)c2N)c1 2079741407 GICQYVJUTLNVPI-UHFFFAOYSA-N 301.390 3.229 10 10 DGCE CN(C)c1ccc(C=CC(=O)NCC/C=C/Br)cc1 2114287427 CJENONDCFTUXPS-OWBNGRJWSA-N 323.234 3.181 10 10 DGCE CCCN[C@@](CCC)(CSc1nccs1)C(=O)OCC 2207863538 LDSPUZCQOIKURF-AWEZNQCLSA-N 316.492 3.337 10 10 DGCE CN(CC1(Cl)CC1)c1ccc(CN)c(Br)c1F 2216153066 XWROSOOZOQHGDI-UHFFFAOYSA-N 321.621 3.255 10 10 DGCE CC1=NN(c2ccc(C)cc2C)C(=O)C1=CNc1c(C)n[nH]c1C 2313548002 IQLJUTWMLSIIFH-UHFFFAOYSA-N 323.400 3.362 10 10 DGCE Cc1cc(CNCc2ccc(C)c(Br)c2O)on1 2327798112 CRJKGIOIMVMFFA-UHFFFAOYSA-N 311.179 3.049 10 10 DGCE Cc1ncc(CN(C)c2ccc([C@@H](C)N)cc2Br)o1 2342833563 KJRUFNOGDJMOGF-SECBINFHSA-N 324.222 3.402 10 10 DGCE CC(C)[C@H](C)NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 53958692 CNCLSGYQEDDCFK-HOCLYGCPSA-N 320.433 3.127 10 10 DGCE Cc1ccc(/C=C/C(=O)NCCCSc2nccs2)o1 74135877 RMFVBWINNHQART-AATRIKPKSA-N 308.428 3.356 10 10 DGCE COc1ccc(N2CC[C@@H](C[C@H](C)NCC(F)(F)F)C2)cc1 107937929 BIXYCBZJNJBGIH-STQMWFEESA-N 316.367 3.452 10 10 DGCE CS[C@@H](C)CCNCc1cccc(Br)c1O 122020390 ZNDUTXQTKRJOGS-VIFPVBQESA-N 304.253 3.386 10 10 DGCE O=C(NCc1ccccc1O)c1cc2c(s1)CCSC2 126498501 KCZBVMNPSGUOKK-UHFFFAOYSA-N 305.424 3.173 10 10 DGCE C[C@@H](Oc1ccc(Cl)c(F)c1)C(=O)Nc1ccc(N)cc1 156208588 DBEZOJVGTIWRRT-SECBINFHSA-N 308.740 3.467 10 10 DGCE CC(C)CNCc1ccc(N2CC[C@@H](N(C)C)C2)c(Cl)c1 164064381 WRHQEEKXOIVJTM-OAHLLOKOSA-N 309.885 3.226 10 10 DGCE CSCCCCNC(=O)NCc1c(O)ccc2c1CCCC2 173150867 QHBAZIMRGPDSSM-UHFFFAOYSA-N 322.474 3.213 10 10 DGCE Cc1c(O)cccc1C(=O)NCc1ccc2c(c1)CCCN2C 179720080 ZNKINGGYXPSNAZ-UHFFFAOYSA-N 310.397 3.013 10 10 DGCE COc1ccc(O)c(CN2C[C@@H]3CCC(=O)c4cccc2c43)c1 185630431 HAMIQPGSXJXYSN-LBPRGKRZSA-N 309.365 3.481 10 10 DGCE CCC(C)(C)CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1 192193315 JBBXOFBSURRNGD-JXMROGBWSA-N 316.445 3.089 10 10 DGCE COCCNCc1ccc(N(C)C2CCCCC2)c(OC)c1 212667363 GMXAECOZBIDCDR-UHFFFAOYSA-N 306.450 3.200 10 10 DGCE CCc1ccc([C@H](C)NC(=O)Nc2cc(O)c(O)c(O)c2)cc1 217278710 XLBXWDPUETWFAI-JTQLQIEISA-N 316.357 3.249 10 10 DGCE COc1ccc(C)cc1NC(=S)NCc1cc(C)ccn1 243461706 NHMILIKTKQHAJE-UHFFFAOYSA-N 301.415 3.194 10 10 DGCE Cc1cc(C(=O)N(C)C(C)(C)C(=O)O)c(C)n1-c1ccccc1 262371968 FQEJSAQMUDSEHH-UHFFFAOYSA-N 314.385 3.029 10 10 DGCE COC(=O)c1ccc(O)c([C@H](C)NCCc2ccsc2)c1 273380721 IBQNIQPNJXJIGK-NSHDSACASA-N 305.399 3.134 10 10 DGCE CC[C@H](N[C@@H](CC)[C@@H](O)C(F)F)c1cccc(Cl)c1O 296607211 WAPDYUVPKLFGRG-GMXVVIOVSA-N 307.768 3.491 10 10 DGCE COc1ccc(I)c2scc(O)c12 306629724 DTFFFHMHTRCLJB-UHFFFAOYSA-N 306.124 3.220 10 10 DGCE Cc1noc(C2CCC(N[C@H](C)c3ccccc3O)CC2)n1 360711044 JFYMAHBTPCPNOM-LMWSTFAQSA-N 301.390 3.461 10 10 DGCE C[C@H]1CN(CCc2ccc(N)cc2)CCN1Cc1ccccc1 396481335 LTMMPKHXTIOXEG-KRWDZBQOSA-N 309.457 3.018 10 10 DGCE CC(C)(C)[C@@H](O)[C@H](N)c1ccc(OCc2ccccc2)cc1O 396753468 XLFMCLGCYMCKLR-MSOLQXFVSA-N 315.413 3.378 10 10 DGCE C[C@H](N[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21)c1ccccc1O 398466769 VDNVNFPPOWZRFI-FEUVXWNVSA-N 308.425 3.173 10 10 DGCE Oc1c(CNCc2coc(Br)c2)ccc(F)c1F 703327798 KECQFJYHXCBZSE-UHFFFAOYSA-N 318.117 3.316 10 10 DGCE C[C@@H](NC1CC(OCc2ccccc2)C1)c1ccc(O)cc1O 716297940 UPRZMIWUSBPCHY-BZOOQXSSSA-N 313.397 3.496 10 10 DGCE Oc1ccc(Br)cc1CNC1CC2(CSC2)C1 717898276 JIPKZBVEMBYMSK-UHFFFAOYSA-N 314.248 3.140 10 10 DGCE CN(C[C@H]1CCSC1)c1ccc(CN)cc1C(F)(F)F 718284308 PDPPIWRLTWMCBN-LLVKDONJSA-N 304.381 3.353 10 10 DGCE CC(=O)c1cc(Cl)cc(CN(C)C[C@H]2CCSC2)c1O 718313831 GOTNMNAUXLXMDW-LLVKDONJSA-N 313.850 3.433 10 10 DGCE COC1(C(F)(F)F)CN(c2ccc([C@H](C)N)c(Cl)c2)C1 724168402 DHKMDLRXPNGTCF-QMMMGPOBSA-N 308.731 3.127 10 10 DGCE C[C@H](N[C@H]1CCCOC1)c1cc(Br)c(F)cc1O 756554731 JACHUVCVQJAORZ-IUCAKERBSA-N 318.186 3.123 10 10 DGCE CC[C@@H]1CN(Cc2cc(C)c(C)cc2O)CCN1CC(F)F 765721057 OCXLOMRXMUCUOD-OAHLLOKOSA-N 312.404 3.170 10 10 DGCE CCOc1ccc(O)c(CN2CCc3ccc(F)cc3C2)c1 769404048 IECJKGCXROFWAK-UHFFFAOYSA-N 301.361 3.488 10 10 DGCE Cc1ccc(O)c(CN(C)C2CCN(CC(F)(F)F)CC2)c1 825293779 AWVNLXPOMRNRMZ-UHFFFAOYSA-N 316.367 3.159 10 10 DGCE COc1ccc(N(Cc2cn(CC3CC3)nn2)C(C)C)cc1F 828267573 JWZFDSOZFIXRON-UHFFFAOYSA-N 318.396 3.251 10 10 DGCE COCC(C)(C)CC(=O)NCc1ccc(N2CCCCC2)cc1 839595240 NDTNRMFGJAXZAN-UHFFFAOYSA-N 318.461 3.356 10 10 DGCE Cc1cc(O)c(CN[C@H](CO)Cc2ccccc2)c(Cl)c1 840938420 DEIJVHLFBOJDAU-AWEZNQCLSA-N 305.805 3.047 10 10 DGCE Cc1cccc(CN[C@@H](CCC(=O)O)Cc2ccccc2)c1O 840998636 LSQVUNCQZXIXHK-KRWDZBQOSA-N 313.397 3.266 10 10 DGCE C[C@@H](NC(=O)N1CC[C@@]2(C1)CC2(F)F)c1ccc(N(C)C)cc1 845123703 CZSJHIVRMWCBLJ-WBMJQRKESA-N 323.387 3.254 10 10 DGCE C/C(=C/c1cccnc1)C(=O)NCc1ccc2c(c1)CCCN2C 846843218 NEYIRYPWWOOAKI-PTNGSMBKSA-N 321.424 3.184 10 10 DGCE CCC(CC)CC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855233749 MHXNFCQMQOWPBY-OAHLLOKOSA-N 304.434 3.216 10 10 DGCE CN(C)c1cc(F)c(CNC[C@H]2CCC23CCOCC3)cc1F 865777180 UMJZYVSWRSLPFE-CQSZACIVSA-N 324.415 3.327 10 10 DGCE COC(=O)c1cccc(N=Nc2cc(C=O)c(O)c(OC)c2)c1 1081393602 ADDJQLUPRUEZID-UHFFFAOYSA-N 314.297 3.415 10 10 DGCE COc1ccc(CNCCCN(C)C(=O)C2(C)CCC2)cc1C 1268812148 RSKVMCZHTPMKDQ-UHFFFAOYSA-N 318.461 3.132 10 10 DGCE CC[C@@H](CNC(=O)C1CC(C)C1)NCc1ccc(OC)c(C)c1 1318511867 LKLMCNYSNGQBLO-IMRCBTMISA-N 318.461 3.034 10 10 DGCE Cc1cc(CC(=O)Nc2ccn(C)n2)c(C)n1-c1ccccc1 1356625625 JOJNRUAVFKMZTB-UHFFFAOYSA-N 308.385 3.009 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1CC2CCC1CC2 1452140647 NGOWPJWSXRCHMX-IZCQJLNMSA-N 301.386 3.054 10 10 DGCE C[C@@H](C(=O)N1Cc2cccc(O)c2C1)c1ccc(F)cc1F 1455037729 UGYGWYHNQOOSNU-SNVBAGLBSA-N 303.308 3.316 10 10 DGCE CN(c1ccc(CNC(=O)[C@H]2C[C@H]2F)cc1)C1CCCCC1 1464544264 XIBPVAZTUURLPN-DLBZAZTESA-N 304.409 3.430 10 10 DGCE CC(C)(C)OC(=O)Nc1ccc(O)c([C@@H](N)C(F)(F)F)c1 1535929287 CSXRJQOHFRZYHU-SNVBAGLBSA-N 306.284 3.301 10 10 DGCE CC1(C)CN(C(=O)Cc2ccc(O)c(O)c2)[C@@H]1c1ccccc1 1542309117 ADLMKIQUFXIWLB-GOSISDBHSA-N 311.381 3.250 10 10 DGCE COc1ccccc1C(F)(F)C(=O)N[C@H](C)c1ccccc1O 1587447159 KPGFOCANFYZQLY-LLVKDONJSA-N 321.323 3.370 10 10 DGCE Cc1cc(CC(=O)N2CC[C@@H](CF)C2)c(C)n1-c1ccccc1 1596419806 STJBHHOLZYSWJM-INIZCTEOSA-N 314.404 3.455 10 10 DGCE C[C@@H](NC(=O)c1cncc(C(F)(F)F)c1)c1ccccc1O 1632247146 SGNDMVKQLOOEQF-SECBINFHSA-N 310.275 3.297 10 10 DGCE CC(C)CN1CCC[C@H]1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 1633315527 RYILQBXTYFQXGA-QAPCUYQASA-N 317.477 3.050 10 10 DGCE Cc1cccc(-n2c(C)cc(CNC(=O)c3cnco3)c2C)c1 1643366931 WKNVQFGCJYWHSN-UHFFFAOYSA-N 309.369 3.321 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)Nc1ncnc2c1CCC2 1655579668 VWIOQLDLFGOOKK-CQSZACIVSA-N 310.445 3.383 10 10 DGCE COc1ccc(CNC/C=C/CNC(=O)[C@@H](C)C(C)C)cc1C 1669069326 GGMGTJQVRHCYRD-MOEXGYKKSA-N 318.461 3.058 10 10 DGCE Cc1ccc(N=c2[nH]c(-c3ccccc3)ncc2C(=O)O)c(O)c1 1859840073 HWLDFMNOXCOHQJ-UHFFFAOYSA-N 321.336 3.021 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@H](Oc1ccc(N)cc1)C2 1904369743 IVNOWSMQVXXZDQ-RCBQFDQVSA-N 318.417 3.436 10 10 DGCE CC[C@H](O)c1ccc(N2CC(N(C)Cc3ccccc3)C2)cc1 1914212631 SQFNBUFDTHDTGB-FQEVSTJZSA-N 310.441 3.451 10 10 DGCE Oc1cccc(CNC2(CCOCc3ccccc3)CC2)c1O 1937182135 MXQDNHMIJJHWFO-UHFFFAOYSA-N 313.397 3.327 10 10 DGCE Cc1cc(O)c([C@@H]2CN(C(=O)OC(C)(C)C)CCCN2)cc1C 1952972140 RXPIXXBFFVKDAE-HNNXBMFYSA-N 320.433 3.281 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1CNc1ccc(N)cc1 1959363842 LNPFISJUQFHBKJ-WFASDCNBSA-N 305.422 3.374 10 10 DGCE Cc1onc(CN2CCC[C@H]2CN=[N+]=[N-])c1Br 2009442310 ZIFBLOJNCCNYQK-QMMMGPOBSA-N 300.160 3.020 10 10 DGCE C[C@H](N)c1ccc(N2C[C@H]3C[C@H]2[C@H]2C[C@@H]32)cc1Br 2041533880 UTWDGEGATVKERC-UZXQKNFXSA-N 307.235 3.313 10 10 DGCE O=C(Nc1ccc(O)c(O)c1)C1(c2cccnc2)CC2(CCC2)C1 2062294996 ZAILNPXHJVHWNF-UHFFFAOYSA-N 324.380 3.333 10 10 DGCE NCc1cc(F)c(N2CCC[C@@]23CCSC3)cc1Cl 2120886587 CMQLPFYKPUZHPB-AWEZNQCLSA-N 300.830 3.414 10 10 DGCE C[C@@H](O)c1ccc(N2CC=CCC23COC3)cc1Br 2137002146 LMSLGNIKXCJIRF-LLVKDONJSA-N 324.218 3.038 10 10 DGCE CC(C)N[C@](CCCSc1nccs1)(C(=O)O)C(C)C 2144122540 WFFDIQGJGLSOTH-AWEZNQCLSA-N 316.492 3.493 10 10 DGCE O=C(O)CCCC1CN(Cc2cc(Cl)cc(Cl)c2O)C1 2145304227 PKQWFRVJYPROFS-UHFFFAOYSA-N 318.200 3.386 10 10 DGCE Oc1c(Cl)cccc1CN1CCOC[C@H]1CC(F)(F)F 2150471451 YUOWGDHWWPRMRB-SNVBAGLBSA-N 309.715 3.199 10 10 DGCE COc1cc(Cl)cc(CN(C)C[C@H](F)C(F)(F)F)c1O 2179761243 MQJSYKITRRYADE-JTQLQIEISA-N 315.694 3.386 10 10 DGCE Cc1cc(O)cc(C)c1NS(=O)(=O)c1c(C)csc1C 2239726696 QRVRECLZMMSJOA-UHFFFAOYSA-N 311.428 3.488 10 10 DGCE CCC[C@](O)(CNCc1cnc(SC)s1)C(F)(F)F 2269193545 MQRMBTOIDOPELH-JTQLQIEISA-N 314.398 3.048 10 10 DGCE COCC(COC)N(C)[C@H](C)c1cc(Cl)c(C)cc1O 2286441893 FIWZIIHNBXIONC-LLVKDONJSA-N 301.814 3.008 10 10 DGCE Cc1ccc2nc(O)c(C=C3SC(=S)N(C)C3=O)cc2c1 2297501531 YVUNFVYZVTWFAH-UHFFFAOYSA-N 316.407 3.080 10 10 DGCE CO[C@H]1C[C@@H]2C[C@H]1C[C@@H]2Nc1c(N)cccc1Br 2308687263 CELCSYKLALKFHX-VDUILEQBSA-N 311.223 3.257 10 10 DGCE Cc1ccc(CNC2[C@@H]3C[C@@H]3[C@H]3C[C@@H]23)c(O)c1Br 2327613217 SNYAUHOCMGRUKT-DDHJBXDOSA-N 308.219 3.207 10 10 DGCE CC1=NN(c2ccccc2)C(=O)/C1=C1/C(=O)Nc2ccc(C)cc21 39715054 CKQOPAXPMUVTEU-WUKNDPDISA-N 317.348 3.123 10 10 DGCE NCc1ccc(N2CCN(c3ccccc3)CC2)c(Cl)c1 62792835 RBPGLNHYNZEWCL-UHFFFAOYSA-N 301.821 3.125 10 10 DGCE Cc1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)c(C)n1 69950386 OUVYMRVRZFHOHU-UHFFFAOYSA-N 309.413 3.011 10 10 DGCE CS(=O)(=O)c1ccccc1Nc1ccc2c(c1)CCCN2 71215008 UTWQYKSQJDMKJH-UHFFFAOYSA-N 302.399 3.192 10 10 DGCE Cc1ccc2nc(CC(=O)O)c(/N=N\c3ccc(O)cc3)n2c1 71590201 UMENDTDNPNXTKX-HNENSFHCSA-N 310.313 3.391 10 10 DGCE Nc1ccc(OCCn2ccc3ccc(Cl)cc3c2=O)cc1 75253507 IGAXOBUZCIOQDS-UHFFFAOYSA-N 314.772 3.316 10 10 DGCE Cc1cc(O)c(CN2CCN(CC(F)F)CC2)cc1C(C)C 128803082 YQYVRKNOIHQWSF-UHFFFAOYSA-N 312.404 3.207 10 10 DGCE CNC1(C)CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 129704624 JZCBVNWSOMLMOH-UHFFFAOYSA-N 303.233 3.273 10 10 DGCE COc1ccc(OC)c(CN(C)Cc2ccc(N(C)C)cc2)c1 163369875 YYBFELZNERVNRG-UHFFFAOYSA-N 314.429 3.402 10 10 DGCE Cc1cc(C)c(O)c(CN2CCNC(=O)C[C@H]2c2ccccc2)c1 164210978 LRGBHEDNKIYZJU-SFHVURJKSA-N 324.424 3.072 10 10 DGCE C[C@H](NC[C@@H]1CCCN1C)c1ccc(Cl)c(Cl)c1O 185142586 IEGQAVQZGAAXPF-UWVGGRQHSA-N 303.233 3.444 10 10 DGCE C[C@@H](NCC[C@H]1C(=O)Nc2ccccc21)c1cc(F)ccc1O 185879774 XADZEZJFXBHSPZ-BXUZGUMPSA-N 314.360 3.308 10 10 DGCE Cc1ccc([C@@](C)(O)CN[C@@H](C)c2ccc(F)c(F)c2O)o1 187734875 YYGJBERWAXMLFD-QFYYESIMSA-N 311.328 3.130 10 10 DGCE Cc1ccc([C@H](C)Nc2cccc(-n3nnnc3C)c2)c(O)c1 192821733 BZZZLLIXZIOBLF-LBPRGKRZSA-N 309.373 3.158 10 10 DGCE CO[C@]1(C)CCN(Cc2cc(Br)cc(C)c2O)C1 311134810 KFCLJROZQJEVKB-CQSZACIVSA-N 314.223 3.074 10 10 DGCE C[C@@H](CN(C)Cc1ccccc1)N[C@H](C)c1ccc(O)cc1O 381054497 IDBQVIMJJNHXIX-LSDHHAIUSA-N 314.429 3.269 10 10 DGCE C[C@H](NCc1cc2c(cc1O)OCO2)[C@H]1CC2CCC1CC2 381889132 LDAOPQLFCKNVBM-LFUGVXIPSA-N 303.402 3.425 10 10 DGCE C[C@H](N)c1ccc(N2CCN(Cc3ccccc3)C[C@@H]2C)cc1 382724571 QQZJUUFHJNJXOW-IRXDYDNUSA-N 309.457 3.417 10 10 DGCE Nc1ccc(N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc1 394605539 YXTJKVKOMVLCQM-MSOLQXFVSA-N 307.441 3.227 10 10 DGCE CN1C[C@H]2CC[C@H]1[C@H](NCc1cc(Cl)cc(Cl)c1O)C2 401795015 HYCYJISKQKBZQE-FZZIBODNSA-N 315.244 3.271 10 10 DGCE O=C(/C=C\c1cccnc1)N1CCC[C@H](O)c2cc(F)ccc21 492423961 DSIFNDOHAFCEQI-AFCDSYGPSA-N 312.344 3.094 10 10 DGCE Oc1ccc(Cl)cc1CNc1ccc2c(c1)OCCNC2 530181147 HMOUDFBSSMCOGF-UHFFFAOYSA-N 304.777 3.140 10 10 DGCE C[C@]12CN(Cc3ccccc3)C[C@@H]1CN(c1ccc(CO)cc1)C2 702068579 ZONBZEUGKGGLNT-TZIWHRDSSA-N 322.452 3.137 10 10 DGCE CC[C@@H]1C[C@@H]1CNCc1cc(Br)cc(F)c1O 715829930 UTWAJKBHPBDRDO-RKDXNWHRSA-N 302.187 3.430 10 10 DGCE O=C(CCc1ccccc1O)NCCCSc1nccs1 733972539 SLLNRQRBFQYSNK-UHFFFAOYSA-N 322.455 3.080 10 10 DGCE Cc1ccc(/C=C\C(=O)N2CCOc3ccc(Cl)cc32)cn1 754322069 WVPGPIYDVGPNIO-DAXSKMNVSA-N 314.772 3.482 10 10 DGCE CCc1nc(CN[C@H](C)c2cc(C(=O)OC)ccc2O)cs1 756556965 YPJLKKDNNBHVBJ-SNVBAGLBSA-N 320.414 3.049 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCC(C)(C)O1 782368411 FYQVXOURUFCUMZ-QGZVFWFLSA-N 318.461 3.447 10 10 DGCE C[C@@H]1CC[C@@H]1NCc1ccc(N2CCN(CC3CC3)CC2)cc1 783266083 NEBHHIUZQXTYQE-UZLBHIALSA-N 313.489 3.107 10 10 DGCE CC(=O)C(=O)COC(=O)c1ccccc1Oc1cccc(C)c1 808548275 IJLJKDUXKZKPHK-UHFFFAOYSA-N 312.321 3.102 10 10 DGCE Cc1cc(CN2CC[C@@H](C(C)(C)C)[C@H](O)C2)ccc1N(C)C 815083902 IIGPWNXWMAFHNR-SJLPKXTDSA-N 304.478 3.290 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CC[C@H]2C[C@@H]2C1 827631754 QDELGGGYLBAYHP-RRFJBIMHSA-N 314.429 3.259 10 10 DGCE CN(C)c1ccc(/C=C/CNCc2cccc(N(C)C)n2)cc1 835040502 DKHWCTGUWPOWEJ-VOTSOKGWSA-N 310.445 3.017 10 10 DGCE C[C@H](C[C@H](O)c1ccco1)NC/C=C/c1ccc(N(C)C)cc1 835042169 DUDDUZSKJGYHIW-VVEVLUTRSA-N 314.429 3.461 10 10 DGCE Cc1cc(O)c(CN2CCC[C@@H](n3ccnc3)C2)c(Cl)c1 840914220 RKXJSVVDMJONLN-CYBMUJFWSA-N 305.809 3.388 10 10 DGCE C[C@H](NCCC1(CN)CC1)c1ccc(Cl)c(Cl)c1O 844921884 WBQVABWABXDZGE-VIFPVBQESA-N 303.233 3.479 10 10 DGCE C[C@@H](NC[C@@]1(CO)CCc2ccccc21)c1cc(F)ccc1O 846181529 ZSNPFQUZOGGCIL-BFUOFWGJSA-N 315.388 3.058 10 10 DGCE Fc1cc(CNC[C@@H]2CCC[C@@H]3C[C@@H]23)ccc1N1CCOCC1 850377719 JMTAFGMQKGUYJO-IXDOHACOSA-N 318.436 3.188 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)/C=C(\C)C(C)(C)C)C2)cc1 855226381 RMOXSUNOJHLEQJ-ZQHYZAEZSA-N 316.445 3.383 10 10 DGCE COc1ccc2c(c1)N(C(=O)/C=C\c1cccnc1C)CCC2 856078473 RFHYZDQJRPIHCE-NTMALXAHSA-N 308.381 3.391 10 10 DGCE O=C(NCC[C@@H]1CC1(F)F)c1cc2cc(O)c(O)cc2s1 899043507 YTKJBZFRDAYJHY-MRVPVSSYSA-N 313.325 3.088 10 10 DGCE C[C@H](N[C@H]1CCN(C)[C@@H]1C)c1cccc(C(F)(F)F)c1O 903301266 PETLODFUGRKBOU-CWSCBRNRSA-N 302.340 3.154 10 10 DGCE Nc1ccc(Cc2noc(C3C[C@@H]4CC[C@H](C3)S4)n2)cc1 904078090 QVADNZTVUMXQQD-QXMXGUDHSA-N 301.415 3.384 10 10 DGCE c1csc(SCCCN[C@@H]2CCCN3CCCC[C@H]23)n1 925102153 LMRJYJARLVUHTB-ZIAGYGMSSA-N 311.520 3.232 10 10 DGCE Nc1ccc(NC(=O)N2CC[C@@]3(C2)CC(F)(F)C3(F)F)cc1 926145202 VICDGWQCTMFNOL-LBPRGKRZSA-N 317.286 3.167 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)C1CCN(C2CC2)CC1 1157041576 JRXQLGHJDCLOHY-UHFFFAOYSA-N 324.424 3.036 10 10 DGCE COc1cccc(CNC(=O)NC[C@H]2CCCC(C)(C)C2)c1O 1251913401 CDTMODCCGPNBDL-ZDUSSCGKSA-N 320.433 3.416 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H]1C1CCCCC1 1291756623 MSEPBYPQEQSJKV-HNNXBMFYSA-N 303.402 3.212 10 10 DGCE C[C@@H](Cc1cccs1)N(C)C(=O)/C=C\c1ccc(O)c(O)c1 1294431573 MRRYWGMRNJJXHO-VFFGBVLKSA-N 317.410 3.262 10 10 DGCE COc1ccc(CCN[C@@H]2C[C@@H](C)c3c(C)ccc(O)c32)cn1 1331531897 JAWSWKZZWDVEIV-UKRRQHHQSA-N 312.413 3.485 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N2CC=C(c3ccccc3)C2)cc1 1446742083 PFIPOIBOXFXHOG-UHFFFAOYSA-N 320.352 3.388 10 10 DGCE COc1cc(F)c(C(=O)N[C@H](C)c2ccccc2O)c(F)c1 1471195073 AXDQHQDSQWZSOT-SECBINFHSA-N 307.296 3.170 10 10 DGCE CC(C)(C)OC(=O)Nc1ccc([C@](C)(N)C(F)F)c(O)c1 1536017222 VZYWUGLMYSZZEC-AWEZNQCLSA-N 302.321 3.178 10 10 DGCE CC/C(C)=C(\C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 1539707385 RDXPSTGOAUOBCN-LGHUBQEGSA-N 317.477 3.218 10 10 DGCE Cc1ccc(C(=O)Nc2cccc(-n3cccc3)c2)c(O)c1O 1588249845 NPNIRBOOBNOINH-UHFFFAOYSA-N 308.337 3.449 10 10 DGCE Cc1cc(CNC(=O)c2coc(C=O)c2)c(C)n1-c1ccccc1 1631794584 VRFPRHSHNCLJMH-UHFFFAOYSA-N 322.364 3.430 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)Nc1cnoc1 1632213416 VZDGSERHPFGDKF-UHFFFAOYSA-N 309.325 3.147 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H]1C[C@@H]2C[C@@H]2C1 1639496215 RVFMFGOJOPRTOW-SCAQPMJSSA-N 322.408 3.435 10 10 DGCE Cc1cc(Br)cc(NCCc2ccc(O)c(O)c2)n1 1650817750 JBIIBYCZKHZZDA-UHFFFAOYSA-N 323.190 3.218 10 10 DGCE C=Cc1ccc(S(=O)(=O)NCc2cc(Cl)ccc2O)cc1 1664903371 BFPJMGSTPHRSPL-UHFFFAOYSA-N 323.801 3.167 10 10 DGCE CC1CCN(/N=N/c2ccc(N3CCN(C)CC3)cc2)CC1 1860486002 JNTDOZRSVKNZDF-VHEBQXMUSA-N 301.438 3.169 10 10 DGCE COc1ccc(NN=NCc2ccc3c(c2)OCO3)cc1OC 1860492975 RLZOQVFUGJIMBW-UHFFFAOYSA-N 315.329 3.412 10 10 DGCE CC(C)(C)OC(=O)N[C@@]12CCCC[C@@H]1CN(CCCN=[N+]=[N-])C2 1895301795 KENSSRDSVFVSTE-CZUORRHYSA-N 323.441 3.456 10 10 DGCE FC1(F)CNCCN(c2ccc(OCc3ccccc3)cc2)C1 1899859890 DBVYRBNMTXAGNF-UHFFFAOYSA-N 318.367 3.311 10 10 DGCE C[C@H](NCc1cc(Br)ccc1O)[C@@H]1CCSC1 1942252755 BCORUQYWIBDHOU-VHSXEESVSA-N 316.264 3.386 10 10 DGCE CN(C[C@@H]1CC1(F)F)c1ccc(CO)cc1Br 1948055889 QZTQECFJTALYIR-VIFPVBQESA-N 306.150 3.033 10 10 DGCE C[C@@H]1C[C@@H](CNc2ccc(N)cc2)CN1C(=O)OC(C)(C)C 1959380985 PVZWVVYJTVUEIP-OLZOCXBDSA-N 305.422 3.326 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1CCCCN=[N+]=[N-] 1962299375 MNVPODZBMGYBRA-CYBMUJFWSA-N 311.430 3.408 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(CCCN=[N+]=[N-])C[C@H]21 1982246902 APEYWCMKQYJVAK-MGPQQGTHSA-N 323.441 3.312 10 10 DGCE CCN[C@H](c1ccn(Cc2ccccc2)n1)c1ccccc1O 1992818396 ABJSLZKIVHKEJU-IBGZPJMESA-N 307.397 3.336 10 10 DGCE CN(C)c1ccc([C@@H](N)Cc2cnn(Cc3ccccc3)c2)cc1 1999511802 IWRRORGEKDGHDI-FQEVSTJZSA-N 320.440 3.240 10 10 DGCE CN(Cc1ccccc1)[C@@H]1CCN(c2ccc3c(c2)CC[C@H]3N)C1 2012699414 FEEIMQKDWYTGGO-TZIWHRDSSA-N 321.468 3.343 10 10 DGCE Cc1cc(N2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)ccc1CO 2014342124 DNRGCUOECQRPPT-RXVVDRJESA-N 322.452 3.198 10 10 DGCE CC1=NN(c2ccccc2)C(=O)C1=Cc1ccc2c(c1)OCO2 2053493345 RPCALRBJAYDENZ-UHFFFAOYSA-N 306.321 3.221 10 10 DGCE CN(C)c1ccc(C=C2N=C(c3ccc(F)cc3)OC2=O)cc1 2053527878 LOFBQDMODQNQPO-UHFFFAOYSA-N 310.328 3.236 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)c1nc(Cl)sc1Cl 2078398531 BRDWEOIXAAFOMB-RXMQYKEDSA-N 306.178 3.365 10 10 DGCE CCc1nn(Cc2c(O)cccc2F)c(C(F)F)c1[N+](=O)[O-] 2079014683 HIDWHQRCXURDGV-UHFFFAOYSA-N 315.251 3.184 10 10 DGCE CCc1nn([C@@H](c2ccc(C)cc2O)C2CCC2)c(N)c1N 2079138607 XKVIMBSEIGTCJY-MRXNPFEDSA-N 300.406 3.013 10 10 DGCE CCOC(CCCNCc1cc(Cl)ccc1O)OCC 2161091484 GPHJWNIGMYTWBC-UHFFFAOYSA-N 301.814 3.315 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NC(=O)c1nc(Cl)ccc1Cl 2225796347 WITQZKLWMSNNJT-JGVFFNPUSA-N 300.149 3.350 10 10 DGCE CCN(Cc1ccc(N)cc1)C(=O)c1cocc1Br 2270465687 SDZBWULNTAKVGB-UHFFFAOYSA-N 323.190 3.287 10 10 DGCE CC[C@H]1CN[C@](C)(C2CC2)CN1Cc1cnc(SC)s1 2284675615 BTNZDHYBGOZDJO-WFASDCNBSA-N 311.520 3.218 10 10 DGCE COc1ccc(N2C(=O)C(=Cc3ccc[nH]3)SC2=S)cc1 2297554961 KJFJLNPWGCLSDQ-UHFFFAOYSA-N 316.407 3.429 10 10 DGCE CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(N(C)C)cc1 2297734921 NETYOHTYOJYJEY-UHFFFAOYSA-N 320.396 3.471 10 10 DGCE Cc1ccc(CNC[C@@H]2CCCCO2)c(O)c1Br 2327613287 UFPSIMFRSXRMDH-LBPRGKRZSA-N 314.223 3.122 10 10 DGCE CCc1cncc(CNCc2c(O)cccc2Br)c1 2353049765 FBBRVJAMHCNCKK-UHFFFAOYSA-N 321.218 3.402 10 10 DGCE CSc1ncc(CN[C@]2(C(=O)O)CCCCC2(C)C)s1 2373961079 DQKCLKNLPJSPGV-AWEZNQCLSA-N 314.476 3.378 10 10 DGCE NC(=O)c1cccc2c1N[C@H](c1ccccc1O)[C@H]1CC=C[C@H]21 14473840 WIBYZHIONRWMHH-PRXAMGSTSA-N 306.365 3.318 10 10 DGCE C[C@@H](N)c1ccc(N(C)C2CCOCC2)c(Br)c1 61695751 WAGYRVDPCYNREL-SNVBAGLBSA-N 313.239 3.084 10 10 DGCE CC(C)NCc1cc(F)c(N2CCCSCC2)c(F)c1 62711931 RRAGQINVKZHUFX-UHFFFAOYSA-N 300.418 3.406 10 10 DGCE COc1ccc(N2CCCNC(C)(C)C2)cc1Br 88330967 GNVKOJUXFBOPGZ-UHFFFAOYSA-N 313.239 3.036 10 10 DGCE COC(=O)[C@@]1(NC(C)C)CCC[C@@H](Sc2nccs2)C1 93778662 XLXOISISKDTXGQ-BXUZGUMPSA-N 314.476 3.088 10 10 DGCE COC[C@H](C)NC(=O)/C=C\c1cc(C)n(-c2ccccc2)c1C 96943377 ITCBRBLBSUUFOJ-BMSUMIBZSA-N 312.413 3.258 10 10 DGCE CCN(C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C(C)C 118946653 XZRVODZQUCXINN-MRXNPFEDSA-N 320.433 3.224 10 10 DGCE CCCNCc1ccc(N(C)[C@H](C)CO)cc1C(F)(F)F 122643379 FLBDMDYHQSIQSK-LLVKDONJSA-N 304.356 3.022 10 10 DGCE Nc1ccc(CCNC(=O)c2cncc(-c3ccccc3)c2)cc1 152534762 ABUZFKHUJCLUAI-UHFFFAOYSA-N 317.392 3.303 10 10 DGCE CN1CCc2cc(CNc3ccc(OC4COC4)cc3)ccc21 186500334 JXSRHPJWHCQEGF-UHFFFAOYSA-N 310.397 3.069 10 10 DGCE CCC(CC)(CN[C@@H](C)c1ccc(F)c(F)c1O)C(=O)OC 187918336 MYLVQTPITAGDDU-JTQLQIEISA-N 315.360 3.300 10 10 DGCE CCCOc1ccc(CN[C@@H](C)c2ccncc2OC)c(O)c1 189566013 QIOZITQSQKAREK-ZDUSSCGKSA-N 316.401 3.435 10 10 DGCE CO[C@@H](C)[C@H](C)N[C@H](C)c1ccc(Br)cc1O 191651434 SQDHVNMUEZVCEK-AEJSXWLSSA-N 302.212 3.229 10 10 DGCE [N-]=[N+]=NCCCCNC(=O)c1ccc(F)c(Br)c1 231731579 HBRZAAZCMZYJKW-UHFFFAOYSA-N 315.146 3.409 10 10 DGCE CC1(C)C[C@H]1C(=O)Nc1c(-c2ccccn2)nc2ccccn12 269859184 RBTHQLGNBCMAAF-LBPRGKRZSA-N 306.369 3.381 10 10 DGCE CCN(CC)c1ccc(CN[C@@H]2CCn3ccnc32)cc1F 294690676 BUGVUFCEKMNFBD-OAHLLOKOSA-N 302.397 3.103 10 10 DGCE CN(CCCc1ccc(N)cc1)[C@H]1CCN(Cc2ccccc2)C1 310461988 YBPWTKRICQEQFG-NRFANRHFSA-N 323.484 3.408 10 10 DGCE Oc1ccc(CNCCc2ccc(Br)cc2)c(O)c1 388955503 ZWKXFWDYKJGUNE-UHFFFAOYSA-N 322.202 3.193 10 10 DGCE COCCCCN(C)c1ccc([C@@H](C)N)c(Br)c1 397100774 DGISHLQGTPXGFN-LLVKDONJSA-N 315.255 3.332 10 10 DGCE CC(C)NCc1ccc(N(C)Cc2cnns2)cc1Cl 400007219 BIIUMRLBXPBFJW-UHFFFAOYSA-N 310.854 3.326 10 10 DGCE CN(C(=O)/C=C\c1cncc(O)c1)c1ccc(F)c(Cl)c1 588409850 AZVGMRYYXPAHMC-DJWKRKHSSA-N 306.724 3.256 10 10 DGCE CCc1cccc(CN[C@H](CC)CNC(=O)OC(C)(C)C)c1O 691514578 TWZPDUXAEVRRMB-OAHLLOKOSA-N 322.449 3.348 10 10 DGCE CCN[C@@H](C)c1ccc(N(CCF)CCOC)c(Cl)c1 697296106 UYESFTQHHNODBS-LBPRGKRZSA-N 302.821 3.433 10 10 DGCE C[C@@H](O)c1ccc(N2CCO[C@@](C)(C(F)F)C2)cc1Cl 698735519 LLIUIDZKQQKUFE-YMTOWFKASA-N 305.752 3.254 10 10 DGCE Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H]1CCCC12OCCO2 715726133 NMKFXNKEVMHVBX-VNHYZAJKSA-N 303.402 3.134 10 10 DGCE Cc1cc(C(=O)CN(C)Cc2cc[nH]n2)c(C)n1-c1ccccc1 733995970 BVJWDLFCSQLCFM-UHFFFAOYSA-N 322.412 3.132 10 10 DGCE CCN(CC)c1ccc(CNCC2(O)Cc3ccccc3C2)cc1 738440016 JWRCQJMUYCZDGX-UHFFFAOYSA-N 324.468 3.152 10 10 DGCE CCOc1ccc(N(CC)Cc2nnc(C)n2C2CC2)cc1 749906832 MJPGAPNIJBYFRY-UHFFFAOYSA-N 300.406 3.347 10 10 DGCE CC(=O)C(C)(C)CCC(=O)N(C)Cc1ccc(N(C)C)cc1 773266852 ZNNQMMNJRJDBPV-UHFFFAOYSA-N 304.434 3.106 10 10 DGCE CCOc1ccc(N(CC)C(=O)/C=C/c2cncc(O)c2)cc1 779653079 QKXGQLRZSLLUJL-BJMVGYQFSA-N 312.369 3.252 10 10 DGCE Cc1cc(Br)c(O)c(CN(C)Cc2cccn2C)c1 781913243 RFORGQYLHOQHTL-UHFFFAOYSA-N 323.234 3.434 10 10 DGCE CO[C@H]1CCC[C@H](NCc2ccc(N3CCSCC3)cc2)C1 792920762 BEIPPEOGCYKGRM-WMZOPIPTSA-N 320.502 3.287 10 10 DGCE C[C@@H](NC(=O)N[C@@H]1CSC1(C)C)c1ccc(N(C)C)cc1 801764196 SSFPCTDSQZRZTF-BXUZGUMPSA-N 307.463 3.007 10 10 DGCE C[C@H]1CC[C@H](C(=O)NCc2cc(Br)ccc2O)C1 804738329 MCWVHKQOTUQCEX-UWVGGRQHSA-N 312.207 3.207 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)OC[C@@]1(F)CCOC1 810925425 HFYZZQMLEOOCSK-MRXNPFEDSA-N 323.389 3.441 10 10 DGCE COc1ccc(N(C)Cc2nn(C)cc2Cl)cc1Cl 817274094 BHKQBVATENTJGA-UHFFFAOYSA-N 300.189 3.372 10 10 DGCE C[C@@H](N[C@H]1CC12CC2)c1ccc(N2CCOCC2)cc1Cl 818356009 HRFABOQRSHFYGV-WBMJQRKESA-N 306.837 3.380 10 10 DGCE COc1cccc(C2=NN[C@H](c3cc(Cl)ccc3O)C2)c1 821157455 GJYZEWBVATULAS-HNNXBMFYSA-N 302.761 3.493 10 10 DGCE Cc1cc(Cl)cc(CN2CC[C@H]([C@H](O)C(F)(F)F)C2)c1O 825124153 IVXCEYURVVDXKL-ZANVPECISA-N 323.742 3.099 10 10 DGCE O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CC[C@@H]2C[C@H]2C1 825722354 XNSDDANZDLRLKZ-IXDOHACOSA-N 313.445 3.275 10 10 DGCE CCC[C@](C)(NC/C=C\c1ccc(N(C)C)cc1)C(=O)OC 835033867 YEHITAUPFURQDU-ZEVQVBBLSA-N 304.434 3.087 10 10 DGCE CC(C)c1nc([C@@H](C)NC/C=C/c2ccc(N(C)C)cc2)n[nH]1 835042392 UXFCWJXEJUYTRC-PSKZRQQASA-N 313.449 3.358 10 10 DGCE CN(C)c1ccc(/C=C/CNCC2(CO)CC3(CCC3)C2)cc1 835054985 UDJIGJSTRGKFNA-HWKANZROSA-N 314.473 3.298 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3C[C@H]2CS3)cc1 838325878 WUVAPJGSWQHMLY-IRXDYDNUSA-N 312.438 3.424 10 10 DGCE CN(C)c1ccc(/C=C/CNCc2ccc(CCN)cc2)cc1 841032999 ILHMIPBSORROTL-ONEGZZNKSA-N 309.457 3.057 10 10 DGCE NCc1ccc2c(c1)CCCN2CCOc1ccccc1F 843349631 GTNKNDJJWJTNTG-UHFFFAOYSA-N 300.377 3.116 10 10 DGCE CO[C@H](CN[C@@H](C)c1cc(Cl)cc(C)c1O)[C@H]1CCOC1 850484120 CPZZAWJCUAJXPW-SLEUVZQESA-N 313.825 3.056 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)/C=C\C3CCCC3)C2)cc1 855226762 UBHBACCCMREKQM-BDJZEXMMSA-N 314.429 3.137 10 10 DGCE C/C=C\C[C@@H]1CCCN(C(=O)NCCc2ccc(N)cc2)C1 861639137 AMSKSCDPIMQLFS-RXYHWBRQSA-N 301.434 3.199 10 10 DGCE C[C@H](NC(=O)N[C@@H](C1CCC1)[C@H]1CCCO1)c1ccccc1O 868988705 AZIIZEGSKZSRHV-VUCTXSBTSA-N 318.417 3.100 10 10 DGCE C[C@@H](NC(=O)c1ccc2c(c1)[C@@H](CN)CCC2)c1ccccc1O 870988403 OQRXMJWEWALXLT-CZUORRHYSA-N 324.424 3.262 10 10 DGCE FC(F)c1noc(CNCc2ccc(N3CCCCC3)cc2)n1 895728122 GFUCIJWYWODCDL-UHFFFAOYSA-N 322.359 3.287 10 10 DGCE CN(C)c1ccc(CNC[C@@H](O)c2cccc(Cl)c2)cc1 918196692 BYMQFJUMIHSYQO-QGZVFWFLSA-N 304.821 3.229 10 10 DGCE Cc1cccc2c(CCC(=O)NCc3ccc(O)cc3O)c[nH]c12 1142533438 KHSMCMHPTWLQQJ-UHFFFAOYSA-N 324.380 3.137 10 10 DGCE Cc1cc(CN[C@@H](C(C)C)[C@@H](CO)C(C)C)ccc1N(C)C 1170442888 LCUDJMSVZWHMDE-HKUYNNGSSA-N 306.494 3.440 10 10 DGCE CCC(CC)CC(=O)N(C)CCN(C)c1ccc(OC)cc1 1278289168 VKJXWUFKZQPLDR-UHFFFAOYSA-N 306.450 3.416 10 10 DGCE Cc1ccc(/C=C\C(=O)N2CCOc3c(F)ccc(F)c32)cn1 1278345338 PCTCRSTVYIRKFA-DAXSKMNVSA-N 316.307 3.107 10 10 DGCE CN(C)c1ccc(CNC(=O)c2nc(C3CC3)cs2)cc1F 1292283432 VOZYZJXNSKGCJP-UHFFFAOYSA-N 319.405 3.156 10 10 DGCE C[C@H](Cc1ccccc1Cl)C(=O)NCc1ccc(O)cc1O 1299573958 MECISPKRFLYZDP-LLVKDONJSA-N 319.788 3.246 10 10 DGCE CCN1C[C@@H](CN(CCC(C)C)c2ccc(OC)cc2)OC1=O 1307740496 QFUDKHBZJBYICK-KRWDZBQOSA-N 320.433 3.388 10 10 DGCE Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCCOC1CCOCC1 1340134611 WWSAYRJYFZXSAD-HIFRSBDPSA-N 305.418 3.034 10 10 DGCE COc1ccc2c(c1)C[C@H](C(C)C)CN2C[C@@H](O)CSC 1460282106 CQXIXAJBXDAJJV-LSDHHAIUSA-N 309.475 3.054 10 10 DGCE Cc1ccc(Cl)c2c1CCCN2C(=O)/C=C\c1cn(C)cn1 1528789614 KCFVMBYCTFHEHT-VURMDHGXSA-N 315.804 3.375 10 10 DGCE C[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C(C)(C)C 1537484508 WXPKUGSCNQOJDN-PBHICJAKSA-N 319.493 3.154 10 10 DGCE Cc1cc(C(=O)NC[C@@H]2C[C@H]3C=C[C@H]2C3)c(C)n1-c1ccccn1 1558792884 FLBKKSFJPNGMKZ-ULQDDVLXSA-N 321.424 3.431 10 10 DGCE CCc1ccc(C(C)(C)C(=O)NCc2cc(O)ccc2O)cc1 1633599149 QFBKPSGTIDIEON-UHFFFAOYSA-N 313.397 3.254 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H](C)CC[C@@H]2CO)cc1 1644506198 CTTGWRQUPHGKKU-CRAIPNDOSA-N 312.413 3.080 10 10 DGCE COc1cc(/N=N/N2C[C@@H](C)O[C@H](C)C2)c(OC)cc1Cl 1860484204 BUNGKWQGNDNHMX-QXAYCKKOSA-N 313.785 3.465 10 10 DGCE CC(C)(C)OC(=O)N1CC(CC[C@@H](N)c2ccccc2O)C1 1928481667 YVOJBFFQTRBGRR-CQSZACIVSA-N 306.406 3.039 10 10 DGCE Oc1c(Br)cc(Cl)cc1[C@@H]1NCCC1(F)F 1952775582 PQKJBISGXAQOHV-VIFPVBQESA-N 312.541 3.478 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNc2ccc(N)cc2)C1 1959373553 JXJCWASAZOIJSS-SWLSCSKDSA-N 305.422 3.374 10 10 DGCE CC(C)(C)OC(=O)NC[C@H]1C[C@@]2(CCN2c2ccc(N)cc2)C1 1985553970 KTKSWWGHEOCOBC-KTXOBNNYSA-N 317.433 3.152 10 10 DGCE N[C@H]1CCCc2cc(N3CC(OCc4ccccc4)C3)ccc21 1986600165 KQYPZQWWACFZRI-FQEVSTJZSA-N 308.425 3.428 10 10 DGCE C[C@@H](O)c1cc(F)c(N(Cc2ccccc2)C2COC2)c(F)c1 1990407815 VPANQQQUSPISBJ-GFCCVEGCSA-N 319.351 3.424 10 10 DGCE C[C@@]1(F)CCCN(c2ccc(CN)c(Br)c2F)C1 2034773401 FWNNJVVFBKCXES-CYBMUJFWSA-N 319.193 3.375 10 10 DGCE CN(C[C@@H]1CC[C@H]2C[C@@H]21)c1ccc(CN)cc1Br 2040241983 WIYQRMXEBAETES-AVGNSLFASA-N 309.251 3.390 10 10 DGCE CN(C[C@@H]1C[C@@H]1C(F)F)c1ccc(CN)c(Br)c1 2041754351 FPBNPOZHGRSGEE-ONGXEEELSA-N 319.193 3.245 10 10 DGCE CCNCc1ccc(N2CC[C@@H]2C(F)F)cc1Br 2051816813 MNRMUDLEKPGEGQ-GFCCVEGCSA-N 319.193 3.402 10 10 DGCE CC(C)c1cc(CN(C)C)n(Cc2c(O)cccc2Cl)n1 2070137545 ZUMJPJDEEOOOCS-UHFFFAOYSA-N 307.825 3.475 10 10 DGCE Oc1cccc(Br)c1CNc1ccc2cncn2c1 2131239060 XPNAUJIIJPURDB-UHFFFAOYSA-N 318.174 3.415 10 10 DGCE Oc1ccc(Cl)cc1CN1CCOC[C@H]1CC(F)(F)F 2150470613 SKGSBXFHFQFHCG-LLVKDONJSA-N 309.715 3.199 10 10 DGCE OCC1CCC(F)(CNCc2c(O)cccc2Cl)CC1 2178643615 JOBKKWABPAWKAF-UHFFFAOYSA-N 301.789 3.026 10 10 DGCE COC[C@@](C)(CN(C)[C@@H](C)c1cc(Cl)ccc1O)OC 2198149524 CTUXXHKPWODXJK-XHDPSFHLSA-N 301.814 3.090 10 10 DGCE COc1ccc(Br)c(CN[C@@H]2CC[C@@H](C)C2)c1O 2220462022 FPMPNVHXRZBDJO-NXEZZACHSA-N 314.223 3.442 10 10 DGCE COCCCCCCNCc1cc(Cl)cc(OC)c1O 2237077181 XGWHOOSZDZIENU-UHFFFAOYSA-N 301.814 3.351 10 10 DGCE CSc1ncc(CN2C[C@@H](C)[C@H](CNC(C)(C)C)C2)s1 2284721091 BMHFEIIADWMWOI-VXGBXAGGSA-N 313.536 3.321 10 10 DGCE Cc1scc(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)c1Br 2303639966 UJUHANBOKJIFGW-SSDOTTSWSA-N 315.196 3.344 10 10 DGCE Cc1ccc(CN[C@H]2CCS[C@@H]2C)c(O)c1Br 2307477301 LARJWHGPGPFFFQ-KOLCDFICSA-N 316.264 3.447 10 10 DGCE Cc1cc(Br)c(CN2CC[C@H](CN=[N+]=[N-])C2)cn1 2316115401 ZZFYIHDOJHMUTI-SNVBAGLBSA-N 310.199 3.285 10 10 DGCE Cc1cccc(C=C2SC(=S)N(CCCCCO)C2=O)c1 2323791972 OMOABRFQTOGALT-UHFFFAOYSA-N 321.467 3.359 10 10 DGCE CCCC1=NN(CC)C(=O)C1=Cc1cc(OC)ccc1OC 2332114665 CLHQANOUEBLZQX-UHFFFAOYSA-N 302.374 3.105 10 10 DGCE Cc1ccc(CNC(=O)[C@@]23C[C@H]2[C@H](C)C3)c(O)c1Br 2352644045 VULOLUSSIGLYJX-VPJDZLOFSA-N 324.218 3.125 10 10 DGCE CSc1ncc(CNC[C@]23CO[C@](C(F)(F)F)(C2)C3)s1 2363391542 NPVGEXXEDRCFQS-PHIMTYICSA-N 324.393 3.066 10 10 DGCE CN[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)[C@@H](C)[C@@H]1C 221783104 OTEYGLKPFQKBNR-COPLHBTASA-N 302.340 3.408 10 10 DGCE CCCOc1ccc(CN(C)C[C@H]2CCCC[C@H]2O)c(O)c1 246005633 SIRLOAJTVBIJOS-RHSMWYFYSA-N 307.434 3.164 10 10 DGCE CN(C)c1cccc(NC(=S)Nc2ccc3nc[nH]c3c2)c1 244203485 VQBZGQONVRLBSS-UHFFFAOYSA-N 311.414 3.438 10 10 DGCE CCNCc1ccc(N2C[C@H]3CCCN3C[C@H]2C)c(Cl)c1 250169463 IHCKGUGUTRCFOQ-UKRRQHHQSA-N 307.869 3.122 10 10 DGCE Cc1ccc([C@@H](NC/C=C\c2ccc(N(C)C)cc2)C(=O)O)cc1 901775749 SZJXYCICRCPUHF-PHWHVTFISA-N 324.424 3.490 10 10 DGCE CN(C)c1ccc(CN[C@H]2COCC2(C)C)c(C(F)(F)F)c1 825098140 BBKLVCKVXYBCFL-AWEZNQCLSA-N 316.367 3.286 10 10 DGCE [N-]=[N+]=NC1(CCN)CN(C(c2ccccc2)c2ccccc2)C1 675057409 ADHWRTYUKTXVGD-UHFFFAOYSA-N 307.401 3.490 10 10 DGCE Cc1ccccc1/C=C\C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 588506457 YFCSQRXVCKEWKW-GDAGCXPBSA-N 311.381 3.167 10 10 DGCE Oc1c(Cl)cccc1CN1CCC[C@@H](C2CCNCC2)C1 849350533 PHSNEZKGBNDTSC-CQSZACIVSA-N 308.853 3.257 10 10 DGCE COC(=O)/C=C\c1ccc(N2CCC23CCCC3)c([N+](=O)[O-])c1 845588918 YJLHBSPSIGJLHK-ALCCZGGFSA-N 316.357 3.304 10 10 DGCE Oc1c(Br)cccc1CN1CC[C@]2(C1)CC2(F)F 846118176 UZXPNFZBMBDMQP-GFCCVEGCSA-N 318.161 3.386 10 10 DGCE CC(C)CC[C@](C)(O)CN[C@H](C)c1cc([N+](=O)[O-])ccc1O 756604175 MEGVKTDWLNXGEI-WBMJQRKESA-N 310.394 3.138 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)c3cccc(C)c3C)C2)cc1 855234828 NTRBYZXSMRKFLA-MRXNPFEDSA-N 324.424 3.321 10 10 DGCE CCC(NC(=O)NCCc1ccc(N)cc1)(C1CC1)C1CC1 861641177 QEWMYIALQDEYQI-UHFFFAOYSA-N 301.434 3.079 10 10 DGCE COc1cc(CN(C)Cc2cc(C)ccc2O)cc(OC)c1 768536243 GFNBQSIEOCZYNR-UHFFFAOYSA-N 301.386 3.350 10 10 DGCE Cc1ccc(O)c(CN(C)[C@@H]2CCN(Cc3ccccc3)C2)c1 768245376 QRDFBGSPOAKBBM-LJQANCHMSA-N 310.441 3.407 10 10 DGCE CN1Cc2ccccc2[C@@H]1CNCc1c(O)cccc1Cl 865806952 UZGSCUMUVXNIFQ-INIZCTEOSA-N 302.805 3.322 10 10 DGCE C[C@@H]1O[C@H](C)C[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 864786459 SGHQDCCBEGWHMA-QWQRMKEZSA-N 316.445 3.057 10 10 DGCE CC(C)COc1ccccc1NC[C@H](O)C[C@@](C)(O)C1CC1 872212464 GXYSXVZUJZUNSW-CRAIPNDOSA-N 307.434 3.045 10 10 DGCE Cc1cccc(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1 773219119 KVHKPNIYWQLSOB-CQSZACIVSA-N 312.417 3.016 10 10 DGCE CC[C@@H](NCCC[C@H]1CCOC1=O)c1cccc(Cl)c1O 872112337 JCHTWLFMBCFYCX-SMDDNHRTSA-N 311.809 3.430 10 10 DGCE O=C(NCc1ccc(N2CCCCC2)cc1)c1cccc(O)c1 780915775 XIANNDMNTGUTFI-UHFFFAOYSA-N 310.397 3.313 10 10 DGCE COCC1(NC(=O)c2cc3cc(O)c(O)cc3s2)CCCC1 898580458 KPPGKDKFGMXDKH-UHFFFAOYSA-N 321.398 3.002 10 10 DGCE C[C@@H]1O[C@H](C)CN(Cc2cc(C(C)(C)C)cc(O)c2O)[C@H]1C 783539835 DCEOFHVRXLQKBS-AGIUHOORSA-N 307.434 3.393 10 10 DGCE CCOC(=O)[C@@H]1CC[C@H](N[C@H](C)c2cc(Cl)ccc2O)C1 798004297 VPIWHIZSTGLSJB-WZRBSPASSA-N 311.809 3.428 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@@]12CCOC[C@H]1C2 1880208380 PAEYLRKLEVMCOH-YGRLFVJLSA-N 302.201 3.215 10 10 DGCE Oc1c(Cl)cccc1CNCc1ccnc(OC(F)F)c1 793623101 FQVLEVVWHFZVES-UHFFFAOYSA-N 314.719 3.332 10 10 DGCE CC(=O)c1cnc(SCCCNC(=O)OC(C)(C)C)s1 1883315278 PRQVIOGJKWVHEC-UHFFFAOYSA-N 316.448 3.353 10 10 DGCE CCc1oc2ccccc2c1C(=O)NCc1cc(O)ccc1O 1303225955 URZMQZSEHHUSPP-UHFFFAOYSA-N 311.337 3.336 10 10 DGCE CC(C)(C)OC(=O)N1CCN(CCN=[N+]=[N-])[C@H]2CCCC[C@H]21 1962304323 MMBMQACWDLXTHV-QWHCGFSZSA-N 309.414 3.161 10 10 DGCE CC(=O)CCCCCCNC(=O)c1ccc(N=NC(N)=O)cc1 1163323384 LLVDGZIJEYZBQG-UHFFFAOYSA-N 318.377 3.118 10 10 DGCE CNc1cc(Cl)ccc1C(=O)NCc1cc(C)ccc1O 1167293435 CXDSXOMKHCYAEO-UHFFFAOYSA-N 304.777 3.326 10 10 DGCE CC[C@H](NCc1cncnc1)c1cc(Br)ccc1O 1964473911 GKUJHHOXXSJODB-ZDUSSCGKSA-N 322.206 3.186 10 10 DGCE [N-]=[N+]=NCCCCNC(=O)c1cc(Br)cs1 1963732154 IFKXAINUGYOKJR-UHFFFAOYSA-N 303.185 3.331 10 10 DGCE Cc1cc(C)cc(CC(=O)NCc2ccc3cccnc3c2O)c1 1162612370 IHSPLXWQBRYXGE-UHFFFAOYSA-N 320.392 3.416 10 10 DGCE OC1(C2CCN(Cc3ccc(N4CCCC4)cc3)CC2)CC1 1326494889 USBGTPSWAHJLLI-UHFFFAOYSA-N 300.446 3.024 10 10 DGCE C[C@](COCc1ccccc1)(Sc1nccs1)C(=O)O 1893483263 KYWCFFYNVYVWQB-CQSZACIVSA-N 309.412 3.295 10 10 DGCE CCCN(C)C(=O)Cn1c2c(c3cc(OC)ccc31)CCCC2 1356079577 MGLDSTNSVHFTIL-UHFFFAOYSA-N 314.429 3.397 10 10 DGCE COc1cc(NC(=O)c2cc(O)cs2)cc2cccnc12 1298609178 MUZPXMUOQOWDBI-UHFFFAOYSA-N 300.339 3.263 10 10 DGCE CCCCNCc1ccc(N2CCOCC2)c(OC(C)C)c1 212148169 XNUGMUGUBMBVCP-UHFFFAOYSA-N 306.450 3.200 10 10 DGCE CC(C)N[C@]1(CO)CCC[C@@H](Sc2nccs2)[C@@H]1C 2119189098 WVURIUXVRMLOMQ-SCRDCRAPSA-N 300.493 3.153 10 10 DGCE COc1ccc(CNC[C@](C)(NC(=O)C(C)C)C2CC2)cc1C 1714160595 UKUDVVZKGFFTCV-IBGZPJMESA-N 318.461 3.034 10 10 DGCE Cc1cc2cc(C(=O)NCc3c(O)cccc3O)oc2cc1C 1558534690 WWBMAPVLLIGLPU-UHFFFAOYSA-N 311.337 3.391 10 10 DGCE COc1ccc(CNC[C@H](C)NC(=O)/C=C/C(C)(C)C)cc1C 1715971127 VBKMAIGBBLTDEL-FEAKQIBJSA-N 318.461 3.200 10 10 DGCE COc1ccc(CN[C@H](C)[C@H](C)NC(=O)CC2(C)CC2)cc1C 1725101603 HQPGNWDAJZPOGM-CABCVRRESA-N 318.461 3.177 10 10 DGCE C[C@H](CC(=O)NCc1ccc(O)cc1O)c1ccc(F)cc1F 1630301916 NCGGPACTXUUYEJ-SNVBAGLBSA-N 321.323 3.186 10 10 DGCE C[C@H](NC(=O)c1cccc2ccc(O)nc12)c1ccccc1O 1632255046 KGXCCLOMVIMMFN-NSHDSACASA-N 308.337 3.137 10 10 DGCE CCC1(C(=O)NC[C@@H](C)CNCc2ccc(OC)c(C)c2)CC1 1568190443 JPXDQPCSYYOESY-AWEZNQCLSA-N 318.461 3.036 10 10 DGCE CCCOC(=O)[C@@H](C)N1CCCc2cc(OC(F)F)ccc21 1644806138 JKSSCCICYONLOM-LLVKDONJSA-N 313.344 3.382 10 10 DGCE [N-]=[N+]=NC1CCN(C(=O)c2cccn2Cc2ccccc2)CC1 1912143996 MZTZJPWCJIRNNS-UHFFFAOYSA-N 309.373 3.451 10 10 DGCE CC(C)n1cc(Br)cc1C(=O)N(C)CCN=[N+]=[N-] 1912204819 YMLUQHCXBBDOTD-UHFFFAOYSA-N 314.187 3.214 10 10 DGCE COc1cc(C(=O)N[C@H](C)c2ccccc2O)c2ccccc2n1 1587447278 NXRBLKZFSCMAFG-GFCCVEGCSA-N 322.364 3.440 10 10 DGCE CN1C(=O)/C(=C/C=C/c2ccc(N(C)C)cc2)SC1=S 6136031 VKOLQFSKGYAKGA-XFYQWYMDSA-N 304.440 3.140 10 10 DGCE CCN(c1ccc(CNC)cc1C(F)(F)F)[C@H](C)COC 163704360 CHOMNNFLYCXJLL-LLVKDONJSA-N 304.356 3.286 10 10 DGCE CCc1ccc(NC(=O)NCc2cc(OC)ccc2O)cc1F 159186776 SIMPVOZTUHLKIV-UHFFFAOYSA-N 318.348 3.424 10 10 DGCE O=C1N=C(NC2CCCC2)S/C1=C/c1ccccc1[N+](=O)[O-] 208250771 YJHUPEHZWYUFOM-UKTHLTGXSA-N 317.370 3.097 10 10 DGCE CC1=NN(C)C(=O)/C1=C/c1ccc(OC(=O)c2ccccc2)cc1 1865675909 GSTJHXSLQHUWMU-SFQUDFHCSA-N 320.348 3.137 10 10 DGCE CO[C@@H]1CCN(c2ccc([C@@H](C)O)cc2Br)[C@H]1C 1914236549 OFCPQNBKTFXZLK-IMSIIYSGSA-N 314.223 3.116 10 10 DGCE C[C@@H]1CC[C@H]([C@H](N)c2ccccc2O)CN1C(=O)OC(C)(C)C 1936967497 HXTWXBLBYQAQAU-WWGRRREGSA-N 320.433 3.428 10 10 DGCE CN[C@@H](c1ccccc1O)[C@]1(C)CCCN1C(=O)OC(C)(C)C 1936970724 OGDSKWCODBONFH-YJBOKZPZSA-N 320.433 3.442 10 10 DGCE C[C@@H](N)c1cc(F)c(N(Cc2ccccc2)C2COC2)c(F)c1 1990439854 MVFOSFLTCRCXQI-GFCCVEGCSA-N 318.367 3.390 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]1(COc1ccc(N)cc1)C2 1992455214 KTVNEVPMQYNPEY-UGSOOPFHSA-N 318.417 3.437 10 10 DGCE CNCc1ccc(N2C[C@@H](F)C[C@@H]2C)cc1Br 1997675394 DPUGLALRZGCREE-ONGXEEELSA-N 301.203 3.105 10 10 DGCE CN(Cc1ccc(N)cc1)C(=O)C1CC(OCc2ccccc2)C1 1997692655 HGUGMTQVAWIRKM-UHFFFAOYSA-N 324.424 3.223 10 10 DGCE Cc1ncc(NCc2ccc(O)c(O)c2)cc1Br 2031598342 SOSPLGNHEMEDOF-UHFFFAOYSA-N 309.163 3.176 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@H]3C[C@H]2[C@@H]2C[C@@H]32)c(Br)c1 2041531835 CTWIJFZGOBJDKG-GCJOFGIHSA-N 307.235 3.313 10 10 DGCE CS[C@H]1CC[C@H]1NCc1cccc(Br)c1O 309900534 HLJIZCHEVKWTRN-MNOVXSKESA-N 302.237 3.138 10 10 DGCE CN1CCc2cc([C@@H](O)c3cc(Br)co3)ccc21 2049660547 UZOXFMLIZQAOHB-CQSZACIVSA-N 308.175 3.116 10 10 DGCE CCN[C@H](C)c1ccc(N2CCO[C@H](CF)C2)cc1Cl 2172041660 OQZZDDCVFAAJGO-DGCLKSJQSA-N 300.805 3.185 10 10 DGCE CC[C@H](c1cc(Br)ccc1O)N(C)CC(C)(C)N 692070600 GAXZNBOUINXDTD-GFCCVEGCSA-N 315.255 3.275 10 10 DGCE COC[C@@H]1CCCN1[C@@H](C)c1cc(Br)ccc1O 696562463 KNLQVFHKQPBUIA-JQWIXIFHSA-N 314.223 3.327 10 10 DGCE C[C@H](CNCc1ccc2c(c1)CCN2C)N(C)Cc1ccccc1 390576403 DNCJWYULRGFRKA-QGZVFWFLSA-N 323.484 3.289 10 10 DGCE CC(C)c1cc(N)n(Cc2cccc(Br)c2O)n1 2070120793 QFEWFOQHHGXWPU-UHFFFAOYSA-N 310.195 3.105 10 10 DGCE NCc1cc(-c2ccccc2)nn1Cc1cccc(Cl)c1O 2070134950 SFEDVVIKQKPXIY-UHFFFAOYSA-N 313.788 3.416 10 10 DGCE CCc1nn(Cc2cc(F)ccc2O)c(C(F)(F)F)c1O 2078844401 RPHRLVRDHMEVIC-UHFFFAOYSA-N 304.243 3.063 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)[C@@](N)(c2ccccc2O)C1 2211281022 QKLNFRVXLDVTIY-ZJNRKIDTSA-N 320.433 3.212 10 10 DGCE CSc1ncc(CN2C[C@@H](C)[C@H](CNCC(C)C)C2)s1 2284720725 JLMDLKNAQFQDMH-CHWSQXEVSA-N 313.536 3.179 10 10 DGCE CSc1ncc(Cn2c(=N)[nH]c3cccc(Cl)c32)s1 2269269702 FVFZOIFBWQTJGN-UHFFFAOYSA-N 310.835 3.329 10 10 DGCE CSc1ncc(CNCc2cccc3ncn(C)c23)s1 2284686772 AWQMZYFSDTVHPK-UHFFFAOYSA-N 304.444 3.042 10 10 DGCE CCCC1=NN2C(=N)C(=Cc3ccc(F)cc3)C(=O)N=C2S1 2296394024 GASKGHYUATVRPY-UHFFFAOYSA-N 316.361 3.245 10 10 DGCE CCN1C(=O)C(=Cc2coc3ccccc3c2=O)SC1=S 2297322079 VAUGFLQWBHLWAJ-UHFFFAOYSA-N 317.391 3.014 10 10 DGCE COc1ccc(N(C)C(=O)/C=C/c2cncc(C)c2)cc1OC 492234327 VKKPBOVDNSIQJX-VMPITWQZSA-N 312.369 3.083 10 10 DGCE CN1CCCc2cc(CNC(=O)C=Cc3cccc(O)c3)ccc21 2308086557 XQWWKZIBNNRWQT-UHFFFAOYSA-N 322.408 3.104 10 10 DGCE Cc1ccc(CN2C[C@H](C3CC3)CC2=O)c(O)c1Br 2352665886 RMYZWKWXNQCPLX-GFCCVEGCSA-N 324.218 3.222 10 10 DGCE COc1ccncc1NCc1ccc(C)c(Br)c1O 2352675479 HEISBPPJXAYGEW-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE CSc1cc(N2CC(SC(F)(F)F)C2)ccc1CN 2353848267 JOQZKMPMFJRYGC-UHFFFAOYSA-N 308.394 3.309 10 10 DGCE COc1ccc(CNC2CC2)cc1C[S@@](=O)c1cccs1 84030144 SPIMHBHRIXCZLF-NRFANRHFSA-N 321.467 3.317 10 10 DGCE c1cc2c(s1)CN(Cc1ccc(N3CCOCC3)cc1)CC2 127060859 SMPLAZHIWLZQMX-UHFFFAOYSA-N 314.454 3.143 10 10 DGCE NC(=O)CSc1ccccc1NCc1c(O)cccc1Cl 149160978 HGNOAYYDTBZUQF-UHFFFAOYSA-N 322.817 3.235 10 10 DGCE CCCOc1ccc(CNc2ccc(-n3ccnc3)nc2)c(O)c1 181600851 XSMSMZDGGWEJGV-UHFFFAOYSA-N 324.384 3.374 10 10 DGCE CC[C@@H](O)c1ccc2c(c1)[C@H](C)C(=O)N2Cc1ccc(N)cc1 213206636 XKNOLGXEIVCXPQ-KPZWWZAWSA-N 310.397 3.363 10 10 DGCE C[C@H]1CO[C@H](C)CN1c1ccc([C@@H](C)N)cc1Br 217474949 YGKQBZDYTCPKSZ-HBNTYKKESA-N 313.239 3.082 10 10 DGCE C[C@@H]1CCC[C@@H]([C@@H]2CCCC(=O)C2=O)N1C(=O)OC(C)(C)C 227197983 QKHDYBVOFAIEFT-AGIUHOORSA-N 309.406 3.103 10 10 DGCE CCN(C(=S)N(C(C)=O)c1ccc(N)cc1)c1ccccc1 243810510 QQEGFASZOLPSAD-UHFFFAOYSA-N 313.426 3.433 10 10 DGCE COc1cccc(CN[C@@H](c2ccccc2)[C@@H]2CCOC2)c1O 374496177 LBINVSAEBAVNFK-AEFFLSMTSA-N 313.397 3.268 10 10 DGCE CC[C@H](NC[C@@H]1c2ccccc2C(=O)N1C)c1ccccc1O 528009960 ZTURPXRQXSUGPL-DLBZAZTESA-N 310.397 3.260 10 10 DGCE Oc1c(Br)cc(Cl)cc1CNc1cncnc1 708190590 LGXXXVCOQXUQIV-UHFFFAOYSA-N 314.570 3.210 10 10 DGCE C[C@@H](CN(C)Cc1ccccc1)NCc1cc(F)cc(F)c1O 708454777 RPGCDYAZDNUPAG-ZDUSSCGKSA-N 320.383 3.281 10 10 DGCE CN(C)C(=O)CN1CCCc2cc(OCc3ccccc3)ccc21 734485156 BKCMPMPWLROEHJ-UHFFFAOYSA-N 324.424 3.106 10 10 DGCE COc1cccc(CNC(=S)Nc2ccc(C)c(C)c2)n1 748044521 DPWWASNYQSSPFU-UHFFFAOYSA-N 301.415 3.194 10 10 DGCE C[C@@H]1CN(c2ccc(CNCC3(F)CC3)cc2F)C[C@@H](C)O1 792920247 RVORHSOFTDATCW-CHWSQXEVSA-N 310.388 3.031 10 10 DGCE CC1CCC(C)(CNC(=O)/C=C/c2ccc(O)c(O)c2)CC1 794024398 QSSKNULCDIEYLG-GQCTYLIASA-N 303.402 3.444 10 10 DGCE CN(C)c1ccc(/C=C/CNCCn2cnc3ccccc32)cc1 835037597 REDICKZEYQIOOJ-AATRIKPKSA-N 320.440 3.405 10 10 DGCE CN(C)c1ccc(/C=C\CNc2ccc(OCCN)cc2)cc1 841053720 AXCFALQYCSXCMK-ARJAWSKDSA-N 311.429 3.215 10 10 DGCE Cc1nn(C)c(C)c1CCN[C@H](C)c1ccc(Cl)cc1O 841745531 ZTLABDFIYQJYAX-SNVBAGLBSA-N 307.825 3.289 10 10 DGCE Oc1ccc(Cl)c(F)c1CN[C@@H]1CNc2ccccc2C1 844904566 CQGOJIQRQZOOCR-NSHDSACASA-N 306.768 3.311 10 10 DGCE Cc1noc([C@H](C)N(C)C/C=C/c2ccc(N(C)C)cc2)n1 848925772 JXURBNKEHPKTGL-YBJDMEARSA-N 300.406 3.150 10 10 DGCE CCOc1cccc(CNCCc2noc3ccccc23)c1O 850342093 GZBPIGIXXFZMJM-UHFFFAOYSA-N 312.369 3.264 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@H](C)c3ccc(F)cn3)C2)cc1 850489652 WGSKIIBSVLBGFD-UKRRQHHQSA-N 315.392 3.159 10 10 DGCE CN(C)c1cc(F)c(CN2CCC[C@]3(CCOC3)C2)cc1F 862387483 NMCZOIOWKDFPRG-KRWDZBQOSA-N 310.388 3.033 10 10 DGCE COc1ccc(CNC(=O)N[C@H](C)[C@]23CCCC[C@H]2C3)c(O)c1 868939411 SSCOSAYBDDYOEV-UVBSCNOISA-N 318.417 3.169 10 10 DGCE O=C(NCc1c(O)cccc1F)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2 928705538 LAIUXVKDQGDKOC-SKLAPFLYSA-N 321.367 3.456 10 10 DGCE CSCCc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 1143582026 GUORGVGBFOERJC-UHFFFAOYSA-N 317.410 3.185 10 10 DGCE C[C@H](NC(=O)/C=C\c1ccc(Cl)nc1)c1ccccc1O 1151900263 NJOWNHLIRBBHSV-DVBBHNHCSA-N 302.761 3.331 10 10 DGCE Cc1cccc(CN[C@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)c1O 1168831294 UXGFYPNISQYHAB-HIFRSBDPSA-N 320.433 3.188 10 10 DGCE C[C@H]1CC[C@H](C)N1CC(=O)NCc1c(O)ccc2ccccc12 1304090076 XILKWSJLWZRTEL-KBPBESRZSA-N 312.413 3.034 10 10 DGCE C[C@H](N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)c1cc([N+](=O)[O-])ccc1O 1327604978 DNZKWLQKSOGEOI-ZFWZSOMGSA-N 312.316 3.385 10 10 DGCE c1cc(N2CCCC2)ccc1CNC[C@H]1CC2(CCC2)CO1 1331538412 YTXGUHVDZYWGLM-GOSISDBHSA-N 300.446 3.336 10 10 DGCE Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCCC[C@H]1CCOC1=O 1332276938 LAFBRSBDCOSMFN-RDBSUJKOSA-N 303.402 3.182 10 10 DGCE O=C(NCc1ccc2occc2c1)NCc1c(O)cccc1F 1478942259 XJQSXHMRYBQZDH-UHFFFAOYSA-N 314.316 3.277 10 10 DGCE O=C(CCCCc1cccc(O)c1)N1Cc2cccc(O)c2C1 1528648942 GCBKADZVVMSICI-UHFFFAOYSA-N 311.381 3.353 10 10 DGCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@H]2C[C@H]2C)c1 1540817789 FOQAFBKGAQUIQA-MLGOLLRUSA-N 310.397 3.292 10 10 DGCE Cc1cn2cc(NC(=O)c3ccc(N=NC(N)=O)cc3)ccc2n1 1584023675 UPGJMDPLYXVNLQ-UHFFFAOYSA-N 322.328 3.057 10 10 DGCE CCOC(=O)/C=C\CN(Cc1ccccc1O)C1CCCC1 1641730963 BPPGTDUOBARNMP-GHXNOFRVSA-N 303.402 3.256 10 10 DGCE CCCC[C@H](O)CCC(=O)NCc1c(O)ccc2ccccc12 1645442900 DIPNEFJSNBDIOO-HNNXBMFYSA-N 315.413 3.493 10 10 DGCE Cc1ccc(NC(=O)CNCc2ccc(N(C)C)cc2)c(C)c1 1857855206 VRYSABIVRUQSNI-UHFFFAOYSA-N 311.429 3.098 10 10 DGCE CN[C@H](c1ccccc1O)c1c(Br)cccc1OC 1913191796 IYIUMDKBIMINHT-OAHLLOKOSA-N 322.202 3.472 10 10 DGCE CN[C@H](c1ccccc1O)[C@H](CNC(=O)OC(C)(C)C)C(C)C 1936973346 GGQUXKUQPSDDOK-GDBMZVCRSA-N 322.449 3.450 10 10 DGCE CN[C@H](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1O 1936974762 LSIDWEUURCRXPA-DZGCQCFKSA-N 320.433 3.300 10 10 DGCE Oc1cc(Br)ccc1CNC1(C(F)F)CCC1 1942734747 YJMRNSHDCKMYDW-UHFFFAOYSA-N 306.150 3.432 10 10 DGCE C[C@H](NCc1cc(Br)cc(F)c1O)c1ncco1 1962966650 ABRSAESKXJFDIE-ZETCQYMHSA-N 315.142 3.133 10 10 DGCE CN(C)c1ccc([C@@](C)(O)CCCNC(=O)OC(C)(C)C)cc1 1977957740 IEDIWSFIZFUIFM-SFHVURJKSA-N 322.449 3.265 10 10 DGCE CC(C)(C)OC(=O)NCc1ccccc1Oc1ccc(N)cn1 1989695168 WIMIVQSJFYMVFL-UHFFFAOYSA-N 315.373 3.481 10 10 DGCE CN(C)c1ccc([C@H](N)c2ncc(Br)s2)cc1 1999527241 KUOFZITYIUOGCX-NSHDSACASA-N 312.236 3.020 10 10 DGCE CN(c1ccc(CN)c(Br)c1)[C@@H]1CCC[C@H]1F 2006793639 KKHZVQPUJYNDLJ-CHWSQXEVSA-N 301.203 3.235 10 10 DGCE OCc1ccc(N2CC[C@H]3[C@@H](C2)C3(F)F)c(Br)c1 2034634393 DHCYUMYZXQGNMS-VHSXEESVSA-N 318.161 3.033 10 10 DGCE CCNCc1ccc(N2CCC(=CBr)C2)c(F)c1 2052272058 GEHHSGUVCSUXKH-UHFFFAOYSA-N 313.214 3.424 10 10 DGCE COc1ccc(O)c([C@H](C)n2nc(C3CC3)cc2CN(C)C)c1 2070144651 MJCMANTYNVBCOA-LBPRGKRZSA-N 315.417 3.146 10 10 DGCE CC(C)c1cnn(Cc2ccc(Br)cc2O)c1O 2070241616 WDFXEVQMLUQDBK-UHFFFAOYSA-N 311.179 3.229 10 10 DGCE Cc1ccc([C@@H](n2nc(C3CC3)c(N)c2N)C2(C)CC2)c(O)c1 2079004254 OEYYUKYLOKNAHZ-MRXNPFEDSA-N 312.417 3.328 10 10 DGCE Cc1cc(N2C[C@](C)(F)[C@@](C)(Br)C2)ccc1CN 2084851519 JOFCMMOWSXYSQE-KBPBESRZSA-N 315.230 3.156 10 10 DGCE CCC1(S(=O)(=O)Nc2ccc(O)c(C(F)(F)F)c2)CC1 2152913453 RBGCVPDZYXOFSN-UHFFFAOYSA-N 309.309 3.095 10 10 DGCE CO[C@H](C1CC1)C(F)(F)CNCc1cc(Cl)ccc1O 2155496052 WIBGIMVOFIWQBI-CYBMUJFWSA-N 305.752 3.196 10 10 DGCE CCC[C@H]1COC[C@@H]1N(C)c1cc(Cl)c(CN)cc1F 2177383661 PGYJCPOEZMMKTP-BONVTDFDSA-N 300.805 3.189 10 10 DGCE CN1CCCc2cc(N(CCCO)Cc3ccccc3)ccc21 2210797541 IDRHXHGMSXVTHR-UHFFFAOYSA-N 310.441 3.458 10 10 DGCE CN(C[C@H](O)COCc1ccccc1)c1ccc2c(c1)CCC2 2210873179 GWEBWBQTKLHOKQ-FQEVSTJZSA-N 311.425 3.189 10 10 DGCE C[C@H](N)c1ccc(N2CC[C@@H]3C[C@@]3(F)C2)c(Br)c1 2222709155 SGQKYWZAJFQRAX-DRCTWCGVSA-N 313.214 3.407 10 10 DGCE NCc1ccc(N2C[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2)cc1Br 2224573825 AWFNDSFBRUWRDG-HGSJOUDDSA-N 319.246 3.166 10 10 DGCE C[C@H](O)c1cc(F)c(N2CC(SC(F)(F)F)C2)c(F)c1 2237484779 PGQVTCZJEOXNGP-LURJTMIESA-N 313.291 3.460 10 10 DGCE CSc1ncc(CNc2cncc(C(F)(F)F)n2)s1 2269206328 YQCXPZSLUJMGRN-UHFFFAOYSA-N 306.338 3.286 10 10 DGCE CSc1ncc(CNc2ccc(C(N)=S)c(F)c2)s1 2269243717 XSYYGTPEVXOLMF-UHFFFAOYSA-N 313.448 3.250 10 10 DGCE CN(Cc1nncs1)c1ccc(CNC2CC2)c(Cl)c1 2281374860 BFWMDWXTRFNBCS-UHFFFAOYSA-N 308.838 3.080 10 10 DGCE Cc1ccc(CN[C@@H]2CCOC2(C)C)c(O)c1Br 2327799724 ZKQSHTDDEDRYAK-LLVKDONJSA-N 314.223 3.120 10 10 DGCE COc1ccccc1N=NN1CCN(C(=O)OC(C)(C)C)CC1 2330216603 MADZHOSYJCLBOW-UHFFFAOYSA-N 320.393 3.247 10 10 DGCE Oc1ccccc1CN[C@H]1CCC[C@@H](OCC(F)(F)F)C1 37152946 GAUAXBPPQBIGKO-QWHCGFSZSA-N 303.324 3.372 10 10 DGCE COc1cc2c(cc1OC)N(Cc1cccc(F)c1)CCN2 57925442 ZVRQFLWPJQGHPK-UHFFFAOYSA-N 302.349 3.275 10 10 DGCE Clc1ccc(CNCc2ccc(N3CCOCC3)cc2)cc1 70981925 YAFBIZCUMDYSDZ-UHFFFAOYSA-N 316.832 3.466 10 10 DGCE CCCC[C@]1(C)CN(CCCO)c2cc(OC)c(OC)cc2N1 75280805 LXRGOKWJTCBVQX-GOSISDBHSA-N 322.449 3.267 10 10 DGCE CN(C)c1ccc(CN2CCO[C@@H](c3cccc(O)c3)C2)cc1 93457495 WKVIXPKUMNBQBF-LJQANCHMSA-N 312.413 3.032 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCc2ccccc21 96643237 AUUJDCXNABJVCU-CYBMUJFWSA-N 311.381 3.256 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)NCc1cnc(C)s1 108929338 YTLQMZVRFSUVPI-UHFFFAOYSA-N 319.430 3.279 10 10 DGCE COCCN(c1ccc([C@@H](C)N)cc1Br)C(C)C 123185554 PLGXKBWSCFHILH-LLVKDONJSA-N 315.255 3.330 10 10 DGCE N[C@H]1CCCN(c2ccc(OCCCC(F)(F)F)cc2)C1 130561493 XQYLFHMBRGQRES-LBPRGKRZSA-N 302.340 3.335 10 10 DGCE Oc1ccc2ccccc2c1CNC[C@@]1(O)CCc2ccccc21 132109033 BOLPNDFWVHLKCW-NRFANRHFSA-N 319.404 3.469 10 10 DGCE CCCNCc1ccc(N(C)C[C@H]2CCN(C)C2)c(Cl)c1 164068004 MABIUAIUMHLIFE-HNNXBMFYSA-N 309.885 3.228 10 10 DGCE COc1ccccc1[C@@H](O)CN[C@@H](C)c1cc(Cl)ccc1O 185096503 BQROGVWEIKDTRE-ZBEGNZNMSA-N 321.804 3.438 10 10 DGCE CN(Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCCC[C@@H]1O 192589424 WJDCAVFXYFNLSA-MOPGFXCFSA-N 302.462 3.412 10 10 DGCE CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)Nc2cc(O)c(O)c(O)c2)C1 217278868 CYEVZWDQZMXMOB-APPDUMDISA-N 320.389 3.236 10 10 DGCE CN1CCc2cc(CNc3ccc(Br)nc3)ccc21 225944664 LZYCTDHSYHTZKV-UHFFFAOYSA-N 318.218 3.449 10 10 DGCE CC(C)(C)/C=C\C(=O)NCc1ccc(N2CCSCC2)cc1 255304223 FRYLLOKXUSHXNN-HJWRWDBZSA-N 318.486 3.458 10 10 DGCE c1ccc(Cn2ccc(CNCc3ccc4c(c3)CCO4)n2)cc1 283980447 LMEYLWRXZMHISI-UHFFFAOYSA-N 319.408 3.156 10 10 DGCE CC[C@]1(CO)CCCN(Cc2cc(Cl)c(F)cc2O)C1 294847122 ZOJIDPHQUWAQSO-HNNXBMFYSA-N 301.789 3.169 10 10 DGCE Cc1nccc(CN2CCCc3cc(OC(F)F)ccc32)n1 366432385 QHWKZNSXDARMLG-UHFFFAOYSA-N 305.328 3.339 10 10 DGCE Cc1ccc(C(=O)Nc2cccc3c2CN(C2CC2)C3)c(O)c1O 375234977 VUUUSZTXXYEJAD-UHFFFAOYSA-N 324.380 3.137 10 10 DGCE CCNCc1cc(F)c(N2CC[C@@H](SCC)C2)c(F)c1 382926393 JLXQBBAYZLWFBT-GFCCVEGCSA-N 300.418 3.406 10 10 DGCE C[C@H](NCCCCNC(=O)OC(C)(C)C)c1ccc(O)cc1O 397843117 HBBRZEFYZJGJPS-LBPRGKRZSA-N 324.421 3.053 10 10 DGCE C[C@@H]1CC[C@@H](N(C)Cc2cc(Br)ccc2O)CO1 401535953 RRAZLOSAJTUAHV-ZWNOBZJWSA-N 314.223 3.154 10 10 DGCE CC(C)N[C@@]1(CO)CCC[C@@H](CSc2nccs2)C1 403201629 OWRFTYDFFLOZHR-OCCSQVGLSA-N 300.493 3.155 10 10 DGCE CCc1nc([C@@H](C)NC(=O)/C=C\c2ccc(O)c(O)c2)cs1 588406524 QIZDOBPHOOTVPW-ONRRBMGISA-N 318.398 3.007 10 10 DGCE C[C@@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)[C@@H]2CCCC[C@H]12 588423058 LQUBEQVKKWFFSM-ICQFZSFKSA-N 301.386 3.148 10 10 DGCE Cc1cc(C)c(O)c([C@H](CC(=O)O)NC(=O)OC(C)(C)C)c1 687754539 KZZXVMOZBYJWFR-LBPRGKRZSA-N 309.362 3.050 10 10 DGCE CC(C)N(C[C@H](C)O)c1ccc([C@H](C)N)c(Br)c1 691379428 AORMGVCFBYFATR-QWRGUYRKSA-N 315.255 3.064 10 10 DGCE Cc1ccc(CCC(=O)NCc2c(O)ccc3c2CCCC3)o1 746692521 UYITXHJRULQLSC-UHFFFAOYSA-N 313.397 3.421 10 10 DGCE CN(Cc1cc[nH]n1)Cc1ccc(OCc2ccccc2)cc1O 753541117 HFZCEHGNHNPTGE-UHFFFAOYSA-N 323.396 3.326 10 10 DGCE CSc1ccc(N(C)C(=O)/C=C\c2cncc(O)c2)cc1 779665016 OGRQDIXRHAQUFW-BAQGIRSFSA-N 300.383 3.185 10 10 DGCE Cc1cc(Br)c(O)c(CN[C@@]2(C)CCO[C@H]2C)c1 784640119 LKCZJGMDCLCPGF-HZMBPMFUSA-N 314.223 3.120 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCOc3cc(O)ccc3C2)cc1 835054238 TVXAWWDFIGDVHL-ONEGZZNKSA-N 324.424 3.366 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1CCC(C)(C)O1 839922474 VQPTVHLTNUNXSE-WMLDXEAASA-N 318.461 3.066 10 10 DGCE Cc1cc(N(C)C)ccc1CNCc1nccn1CC(C)C 840936246 HMZRETVQNAQSQM-UHFFFAOYSA-N 300.450 3.203 10 10 DGCE COc1ccc(N2CC[C@@H](COC(=O)/C=C\C3CC3)C2)cc1 842880023 VPZSMLOHALLMGB-KHSJVXASSA-N 301.386 3.031 10 10 DGCE CC[C@H](N[C@@H]1C[C@@H](C)n2ncnc21)c1cccc(Cl)c1O 850498828 DQCRJYSSLHXFCY-JIMOISOXSA-N 306.797 3.384 10 10 DGCE CCN(CC)c1ccc(CNC(=O)N2CC3CC2(C)C3)cc1 853456821 PUVPJERFWJMRMN-UHFFFAOYSA-N 301.434 3.227 10 10 DGCE COC(=O)c1ccc(O)c([C@@H](C)N[C@@H](C)c2ccns2)c1 858577054 OIRPFNXGDPJSKS-ZJUUUORDSA-N 306.387 3.047 10 10 DGCE c1cc(N2CCCCC2)ccc1CNc1ncc2c(n1)COC2 865294369 JIHVLPNXLOWCMG-UHFFFAOYSA-N 310.401 3.109 10 10 DGCE C[C@@H](NC[C@@H]1c2ccccc2CN1C)c1cc(F)ccc1O 866563053 JGJCBJSPIVCLTA-SJKOYZFVSA-N 300.377 3.369 10 10 DGCE COc1ccccc1C1(NCc2cc(C)cc(OC)c2O)CC1 895076628 XXYXQRLTMKPRPK-UHFFFAOYSA-N 313.397 3.497 10 10 DGCE CC(C)[C@@H]1N(C(=O)Cc2ccc(O)c(O)c2)CC12CCCCC2 1161237403 HVYOLNCUZGRWKM-SFHVURJKSA-N 317.429 3.458 10 10 DGCE COc1ccc(Br)c(CN2CCCCC2)c1O 1231547829 JVUBYGQGCBAEFN-UHFFFAOYSA-N 300.196 3.149 10 10 DGCE COc1ccc(CN[C@@H](C)CN(C)C(=O)C2=CCCC2)cc1C 1283594778 NPFHJRGTXSWMGX-HNNXBMFYSA-N 316.445 3.050 10 10 DGCE CC(F)(F)c1ccccc1NC(=O)Cc1ccc(O)c(O)c1 1468161806 DRZDRSPWLPZQFF-UHFFFAOYSA-N 307.296 3.391 10 10 DGCE O=C(CCc1nc2ccccc2o1)N1Cc2cccc(O)c2C1 1558036655 WYKSYWUYLZHKLK-UHFFFAOYSA-N 308.337 3.008 10 10 DGCE Cc1ccc(/C=C\C(=O)NCc2cccc(Cl)c2O)cn1 1606859977 CRCSBUMVMYDFAS-FPLPWBNLSA-N 302.761 3.079 10 10 DGCE CCc1ccc2c(c1)[C@@H](NC(=O)c1cc(O)cs1)CCO2 1633637878 ARIOAXLFMOFXFS-ZDUSSCGKSA-N 303.383 3.270 10 10 DGCE C[C@H](NC(=O)Cc1ccc2cccnc2c1)c1ccccc1O 1635804275 RVINRIGOPTYYOF-ZDUSSCGKSA-N 306.365 3.360 10 10 DGCE C[C@@H](CSC(F)(F)F)C(=O)N[C@H](C)c1ccccc1O 1642828072 YMQYZCARUMJFON-DTWKUNHWSA-N 307.337 3.459 10 10 DGCE CC(C)[C@@H]1C[C@H]1NCc1cc(Br)cc(F)c1O 1658796899 KOHIIEZMFJEWKK-CMPLNLGQSA-N 302.187 3.428 10 10 DGCE COc1ccc(CNC[C@@H](C)NC(=O)/C=C\C(C)(C)C)cc1C 1669260332 VBKMAIGBBLTDEL-FJVVXJACSA-N 318.461 3.200 10 10 DGCE C[C@@H](NC(=O)NCc1cc(O)ccc1Cl)c1ccccc1O 1684984622 KUDXKGYVJWREJH-SNVBAGLBSA-N 320.776 3.312 10 10 DGCE CCOC(=O)CCN(C)/N=N/c1cccc(C(=O)OC(C)C)c1 1860486716 MNHFEQRDBFCXKF-ISLYRVAYSA-N 321.377 3.136 10 10 DGCE COc1ccc(C)cc1/N=N/N1CCN(c2ccccn2)CC1 1860487184 XNXWOFZKXNBROK-FMQUCBEESA-N 311.389 3.220 10 10 DGCE CCC1=NN(c2ccccn2)C(=O)/C1=C/c1ccccc1[N+](=O)[O-] 1865678152 WXNKRJLVJROTQA-ACCUITESSA-N 322.324 3.186 10 10 DGCE O[C@H]1CN(c2ccc(OCc3ccccc3)cc2)C[C@@H]1C1CC1 1899885858 WCBOAJHZOAKYCW-UXHICEINSA-N 309.409 3.473 10 10 DGCE C[C@H](NCC=CCNC(=O)OC(C)(C)C)c1ccccc1O 1911669582 IQUUZLXGLASLEU-ZDUSSCGKSA-N 306.406 3.124 10 10 DGCE C[C@@H]1[C@@H]([C@@H](N)c2ccccc2O)CCCN1C(=O)OC(C)(C)C 1936987528 SRFXWFDKULSJSZ-DVOMOZLQSA-N 320.433 3.428 10 10 DGCE CN(C)c1ccc([C@@H]2C[C@@H](N)CCN2C(=O)OC(C)(C)C)cc1 1952085120 FCFGAKOXMIJBLA-HOCLYGCPSA-N 319.449 3.152 10 10 DGCE Oc1c(F)cc(Br)cc1[C@H]1CC(F)(F)CCN1 1952379908 BQCCGXDRRGEECO-SECBINFHSA-N 310.113 3.354 10 10 DGCE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1Cc1ccc(N)cc1 1953009886 DSQCZUUQPHWYTQ-ZDUSSCGKSA-N 312.360 3.456 10 10 DGCE C[C@H]1CN(c2ccc(N)cc2)C[C@H]1CCNC(=O)OC(C)(C)C 1977890054 CTGJDFKUNFEHDV-UONOGXRCSA-N 319.449 3.256 10 10 DGCE C[C@H]1CCN(c2ccc(N)cc2)[C@@H](CNC(=O)OC(C)(C)C)C1 1977971994 VSXPFTBNLNJCRI-XJKSGUPXSA-N 319.449 3.398 10 10 DGCE CN(C)c1ccc([C@H](N)c2cc(Br)sn2)cc1 2007635936 NHTOEZKRYKARIF-LBPRGKRZSA-N 312.236 3.020 10 10 DGCE O[C@@H]1CCc2cc(N3CCCN(Cc4ccccc4)CC3)ccc21 2012705731 SICNUWHAGYDFJC-OAQYLSRUSA-N 322.452 3.379 10 10 DGCE CC1(F)CC(CNCc2cc(Br)ccc2O)C1 2013176308 WKTBOZSEUSVFTA-UHFFFAOYSA-N 302.187 3.383 10 10 DGCE Nc1cccc(Br)c1N[C@@H]1CC[C@@H]2OCC[C@H]2C1 2033062572 AREHYDBXOWTIAP-CWSCBRNRSA-N 311.223 3.401 10 10 DGCE CNCc1ccc(N2CC[C@H](C)[C@H](F)C2)c(Br)c1 2034801232 CLVPNBIQMKGBAK-GXFFZTMASA-N 315.230 3.353 10 10 DGCE COc1ccc(Br)nc1OCc1ccc(N)cc1 2064976866 CRDBQPPKHZUYKA-UHFFFAOYSA-N 309.163 3.014 10 10 DGCE CO[C@@H]1CC[C@H](N(C)Cc2cccc(Br)c2O)C1 2067116120 YIXHQIKHCJMDJJ-NWDGAFQWSA-N 314.223 3.154 10 10 DGCE Cc1ccc([C@H](C)n2nc(C)c(CN)c2Br)c(O)c1 2079126234 VFXRIMYOFYMASX-JTQLQIEISA-N 324.222 3.036 10 10 DGCE Cc1ncc(OCCOc2ccc(N)cc2)cc1Br 2092456275 WCDPNDBNOIZQJQ-UHFFFAOYSA-N 323.190 3.193 10 10 DGCE Cc1ocnc1CN(C)c1ccc([C@@H](C)N)c(Br)c1 2104085531 WPNLAUMWCJSFNZ-SECBINFHSA-N 324.222 3.402 10 10 DGCE CCCN[C@H](C)c1cnc(Sc2nc(C)cc(O)n2)s1 2159807478 LLODBYYRNVNFIY-SECBINFHSA-N 310.448 3.159 10 10 DGCE COc1ccc(N2CCCC[C@@H]2C(F)(F)CN)cc1Cl 2202993444 VXAIOOIYXGWHEB-CYBMUJFWSA-N 304.768 3.302 10 10 DGCE CN[C@@H](C[C@@]1(C)CCN1C(=O)OC(C)(C)C)c1ccccc1O 2211939645 LDHRECNTWCRGIZ-KBXCAEBGSA-N 320.433 3.442 10 10 DGCE N=C(NO)c1cnc(Sc2ccc3ccccc3n2)s1 2296262962 AIQFKZZSOVWVSC-UHFFFAOYSA-N 302.384 3.147 10 10 DGCE CCNCc1ccc(N2C[C@@H]3C[C@H]2[C@H]2C[C@@H]23)cc1Br 2329275153 KNLDOWJCFYCFAQ-AEIGPULVSA-N 321.262 3.403 10 10 DGCE CCCC1=NN(CCC)C(=O)C1=Cc1ccc(O)c(OC)c1 2332134862 SCNJASRPDYSQEB-UHFFFAOYSA-N 302.374 3.193 10 10 DGCE CC[C@@H]1CCCCN1[C@H](C(=O)Nc1ccc(N)cc1)C(C)C 62461041 KDLILAFLJFHLON-SJORKVTESA-N 303.450 3.496 10 10 DGCE CC(C)OCCCNCc1cc(Cl)c(O)c(Cl)c1O 76275706 CXWAKILGYHFDED-UHFFFAOYSA-N 308.205 3.309 10 10 DGCE CC(C)(C)[C@H](O)[C@H](N)c1ccc(OCc2ccccc2)cc1O 95814266 XLFMCLGCYMCKLR-QZTJIDSGSA-N 315.413 3.378 10 10 DGCE COc1cc(O)c(CN(C)Cc2ccc(F)cc2)cc1OC 159487662 TVMYEPNTOVZVHE-UHFFFAOYSA-N 305.349 3.181 10 10 DGCE C[C@H](CSc1ncc(C(C)(C)C)s1)CS(C)(=O)=O 164018558 CVRDBDUOBLZZGE-SECBINFHSA-N 307.506 3.213 10 10 DGCE CSC[C@@H](C)CNCc1cc(Br)ccc1O 164033724 GXFMJYAMFISHNM-VIFPVBQESA-N 304.253 3.243 10 10 DGCE C[C@H](NC[C@H](C)N1CCC[C@@H](C)C1)c1ccc(F)c(F)c1O 191203926 LJPUBNQJFQUGFA-AGIUHOORSA-N 312.404 3.441 10 10 DGCE COC(=O)[C@H](NCCCN=[N+]=[N-])c1cc(Cl)ccc1Cl 234560415 YUHMXUGLJDRFNW-LLVKDONJSA-N 317.176 3.498 10 10 DGCE COc1ccc(C(=O)Nc2cccc(N(C)C)c2)cc1OC 243865123 RJQHQWVPIDHOMR-UHFFFAOYSA-N 300.358 3.022 10 10 DGCE CC[C@@H]1CN([C@H](C)c2cc(Br)ccc2O)CCO1 251737790 KRTHABMWZSUNHU-ZYHUDNBSSA-N 314.223 3.327 10 10 DGCE Cc1cnc(CCN(C)Cc2ccc(N(C)C)c(F)c2)s1 271164845 BBWACKXHECSRPA-UHFFFAOYSA-N 307.438 3.331 10 10 DGCE Cc1cc(Cl)cc(CN[C@H](CO)c2ccc(F)cc2)c1O 271773307 BXJCBLSRNQREEF-OAHLLOKOSA-N 309.768 3.316 10 10 DGCE C[C@H](N[C@@H](C)[C@H]1CCCCO1)c1ccc(N2CCOCC2)cc1 271949591 ZRGHJLGDYJKPFL-TXPKVOOTSA-N 318.461 3.131 10 10 DGCE C[C@H](N)c1ccc(N2CCC(F)(F)C2)c(Br)c1 313354482 MZTGSYZRWYTOFO-QMMMGPOBSA-N 305.166 3.314 10 10 DGCE CS[C@H]1CCN(c2ccc([C@@H](C)N)cc2Br)C1 382928588 FCHSIYRNONHBKT-KOLCDFICSA-N 315.280 3.411 10 10 DGCE Nc1ccc(CCC(=O)Cc2ncccc2Br)cc1 388369171 PEZVJRUTBOCLIC-UHFFFAOYSA-N 319.202 3.171 10 10 DGCE O=S(=O)(Cc1ccccc1F)Nc1ccc(O)c(Cl)c1 396456671 HMYAGUCTOLEZNX-UHFFFAOYSA-N 315.753 3.127 10 10 DGCE C[C@@H](NCc1ccccc1O)[C@H]1CCCN1C(=O)OC(C)(C)C 400580081 QMIYEGVZMNONLQ-UKRRQHHQSA-N 320.433 3.270 10 10 DGCE CCc1cccc(CN[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c1O 691522005 JOVAIUAMLONVQO-CHWSQXEVSA-N 322.449 3.346 10 10 DGCE CC(C)(CCS(=O)(=O)Nc1ccc(O)cc1F)C1CC1 717909616 KKNPAYUPUMTAJL-UHFFFAOYSA-N 301.383 3.099 10 10 DGCE Cc1nc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2s1 754832695 KYRIGXJDYIZZKB-WDZFZDKYSA-N 306.437 3.436 10 10 DGCE COc1ccc(N(C)Cc2ccc(-n3cncn3)cc2)cc1F 780779401 BRGGGFLTPCHKBU-UHFFFAOYSA-N 312.348 3.051 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)Cc1ccc(-c2cc[nH]n2)o1 789721676 JIGPSUJPMTZZHQ-UHFFFAOYSA-N 310.401 3.368 10 10 DGCE Cc1cc(O)ccc1NS(=O)(=O)/C=C/c1ccccc1F 799920403 BVUBXBZGMSVLGX-CMDGGOBGSA-N 307.346 3.252 10 10 DGCE CC(C)(C)C[C@@H](O)CC(=O)NCc1c(O)ccc2c1CCCC2 813490563 LDQBOKRXIVDRCT-AWEZNQCLSA-N 319.445 3.074 10 10 DGCE O=C(O)[C@@H]1CC[C@H](NCc2ccc(N3CCCCC3)cc2)C1 819161606 IZFPWCUOMNULDC-CVEARBPZSA-N 302.418 3.020 10 10 DGCE CN(C)c1ccc(/C=C\CNCc2ccc(CO)c(F)c2)cc1 835036062 JHRIEXIYSRLXLH-ARJAWSKDSA-N 314.404 3.187 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)[C@H]3C[C@]3(C)C(C)C)C2)cc1 855225524 KANXRFCCHQHFQD-POZUXBRTSA-N 316.445 3.072 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)N(CCC1CC1)CC1CC1 856283809 PHJHZAHRWAANLP-SOFGYWHQSA-N 301.386 3.150 10 10 DGCE Cc1coc(CN(Cc2ccccc2O)C[C@H]2CCCO2)c1 893881532 VXVNSHIPTWZDSR-MRXNPFEDSA-N 301.386 3.475 10 10 DGCE C[C@@H]1CC=CC[C@H]1NC(=O)N(C)Cc1ccc(N(C)C)cc1 898892891 ZKKCRQODNBGOJJ-RHSMWYFYSA-N 301.434 3.249 10 10 DGCE CCN(CC)c1ccc(CN[C@@](C)(CC(=O)O)C2CC2)cc1 901949492 GXGIMHZEGUOQLC-SFHVURJKSA-N 304.434 3.266 10 10 DGCE CS[C@H]1CCC[C@H](NC(=O)NCc2c(O)cccc2F)C1 919225001 DGESIXOCSAUCJC-QWRGUYRKSA-N 312.410 3.005 10 10 DGCE C/C(=C\c1cccnc1)C(=O)N1C[C@H](C)Oc2cc(F)ccc21 1126538943 ZBSFYDVJLSFUMB-RPHSKFLZSA-N 312.344 3.438 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@H]2CCN2C(C)(C)C)cc1 1136300194 IUOVYLUTIXCIDK-QGZVFWFLSA-N 317.477 3.022 10 10 DGCE CC(C)(C)c1[nH]cnc1C(=O)NCc1c(O)ccc2ccccc12 1179032884 QJNRKULXKUZPHU-UHFFFAOYSA-N 323.396 3.496 10 10 DGCE CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NCc1c(O)cccc1O 1304053465 LOBGSPHTZKWDKV-XNJGSVPQSA-N 321.417 3.088 10 10 DGCE CCOc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3C(C)C)CC2)cc1 1320679173 IECDUWFJFDUDQR-ZWKOTPCHSA-N 316.445 3.026 10 10 DGCE CN(Cc1ccccc1O)C(=O)NC[C@@H]1C[C@@H]1Cc1ccccc1 1346955088 WNKXMUSOPBQNDJ-ROUUACIJSA-N 324.424 3.412 10 10 DGCE CCO[C@H]1C[C@H](NC(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 1586808714 ULZXPNGFQXNMKX-SAABIXHNSA-N 312.413 3.391 10 10 DGCE O=C(Cc1c(F)cccc1Cl)NCc1c(O)cccc1F 1638858581 WYAWMFHMAZCUSC-UHFFFAOYSA-N 311.715 3.183 10 10 DGCE COC(=O)c1cnc(SCc2ccc(C(C)=O)cc2)s1 1652001625 ADDKOXKCSOEURZ-UHFFFAOYSA-N 307.396 3.425 10 10 DGCE Cc1cc(F)c(CNC(=O)NCc2c(O)cccc2F)c(F)c1 1676315770 VWWACFCKHIOSJZ-UHFFFAOYSA-N 324.302 3.117 10 10 DGCE CC[C@H](NC(=O)NCc1ccccc1O)c1ccccc1F 1683586036 MIQHTSHMTULIFN-HNNXBMFYSA-N 302.349 3.482 10 10 DGCE Cc1cc(=Nc2cc(C(=O)O)ccc2O)[nH]c(-c2ccccc2)n1 1859857851 MKSJXCMJBFKMGN-UHFFFAOYSA-N 321.336 3.021 10 10 DGCE CCCOc1ccccc1NC(=O)[C@H](C)Oc1ccc(N)cc1 1860078842 QZPYHZABSGFRAO-ZDUSSCGKSA-N 314.385 3.464 10 10 DGCE COc1cc(/N=N/N2C[C@H](C)O[C@@H](C)C2)c(OC)cc1Cl 1860484205 BUNGKWQGNDNHMX-TZCIKFOFSA-N 313.785 3.465 10 10 DGCE CC1(C)CC[C@H](N)CN1Cc1cc(Cl)cc(Cl)c1O 1879076763 VGZIMRDOQWHCNQ-NSHDSACASA-N 303.233 3.401 10 10 DGCE C[C@@H](O)c1cnc(SCCN(C)C(=O)OC(C)(C)C)s1 1883323949 SWMTZXXWKOTYPX-SECBINFHSA-N 318.464 3.155 10 10 DGCE C[C@@](NCCCN=[N+]=[N-])(C(=O)O)c1ccc(Cl)cc1F 1912161534 KNQFRQTWIDAUDI-LBPRGKRZSA-N 300.721 3.069 10 10 DGCE Cc1nc(CSCCC(=O)N(C)CCCN=[N+]=[N-])cs1 1912173410 MHASFKOEUZLUDP-UHFFFAOYSA-N 313.452 3.234 10 10 DGCE C[C@H](N)c1ccc(N(Cc2ccccc2)[C@@H](CO)C2CC2)cc1 1915190088 VHNAPTPOZGSTLP-YWZLYKJASA-N 310.441 3.484 10 10 DGCE CCN[C@H](c1ccccc1O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1936970838 PMOVARUPSGZNNR-CJNGLKHVSA-N 320.433 3.300 10 10 DGCE CCN[C@H](CC1CN(C(=O)OC(C)(C)C)C1)c1ccccc1O 1936978685 XQNWMJDCYCIZKG-OAHLLOKOSA-N 320.433 3.300 10 10 DGCE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(CCCCN=[N+]=[N-])C1 1962297771 ASONFJCFXWJFBK-CHWSQXEVSA-N 311.430 3.312 10 10 DGCE COC[C@@](C)(NCc1ccc(Br)cc1O)C1CC1 1967800710 ZDMZPAYTDVGJRE-CQSZACIVSA-N 314.223 3.059 10 10 DGCE Oc1cccc(Br)c1CN1CC[C@H](CCF)C1 1969947406 NTNPSWXQOAYBAT-JTQLQIEISA-N 302.187 3.336 10 10 DGCE Cc1cccc(O)c1CN[C@H]1CCN(Cc2ccccc2)[C@@H]1C 1976876596 ZIASGATXYSMALK-APWZRJJASA-N 310.441 3.453 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CN(Cc2ccc(N)cc2)C(C)(C)C1 1977920352 IJSKKXQQUOFHDY-OAHLLOKOSA-N 319.449 3.146 10 10 DGCE C[C@H](CCO)N(Cc1ccccc1)c1ccc2c(c1)CC[C@@H]2O 1986602926 OKANMBQDLWYQNW-QRWLVFNGSA-N 311.425 3.444 10 10 DGCE Cc1cccc(CN[C@@H](C)C(C)(C)NC(=O)OC(C)(C)C)c1O 1991719668 DPHFPENPRPMMOK-ZDUSSCGKSA-N 322.449 3.482 10 10 DGCE CO[C@H]1CC[C@@H](CNCc2ccc(Br)cc2O)C1 2054472221 UIEFQLIJHYXJBN-MFKMUULPSA-N 314.223 3.059 10 10 DGCE C[C@@H]1OCC[C@H]1CN(C)Cc1ccc(Br)cc1O 2057475518 OPZSBOLBPLJGBO-QWRGUYRKSA-N 314.223 3.012 10 10 DGCE CO[C@@H](C)CCN(C)c1ccc([C@@H](C)N)cc1Br 2059358343 CVFYRQJYWYMJND-WDEREUQCSA-N 315.255 3.330 10 10 DGCE CCOC(=O)c1cc(CC(C)C)nn1Cc1c(O)cccc1F 2069959840 IGJNPRGMYHEKJN-UHFFFAOYSA-N 320.364 3.151 10 10 DGCE CCc1nn(Cc2cccc(Cl)c2O)c(N)c1C(F)F 2079685366 DZWBKAVSMXRWBM-UHFFFAOYSA-N 301.724 3.373 10 10 DGCE COc1ccc([C@H](C2CC2)n2nc(C)c(N)c2Cl)c(O)c1 2079978528 BVBKCEFLUDHNEP-AWEZNQCLSA-N 307.781 3.141 10 10 DGCE Cc1nn(Cc2cc(Br)ccc2O)c(N)c1C(C)C 2080077693 IIGHRFWYIMQSLI-UHFFFAOYSA-N 324.222 3.414 10 10 DGCE Cc1cc(Br)ccc1[C@H](O)[C@@H](N)c1ccccc1O 2091859172 NESOPZMABAOEOQ-GJZGRUSLSA-N 322.202 3.197 10 10 DGCE C[C@@H](Cc1ccnn1C)NCc1cc(Cl)cc(Cl)c1O 2174318988 XXOSOAFVGBLBHY-VIFPVBQESA-N 314.216 3.153 10 10 DGCE COc1ccc(Br)c(CNCC[C@@H]2C[C@@H]2C)c1O 2220462761 QMERBUVZYFRIPF-VHSXEESVSA-N 314.223 3.299 10 10 DGCE COc1ccc(Br)c(CN[C@@H]2C[C@H](C)[C@@H]2C)c1O 2220462825 RGUYZDIUSWEGRM-HOTUBEGUSA-N 314.223 3.297 10 10 DGCE C[C@H](CCNCc1ccccc1O)CCNC(=O)OC(C)(C)C 2243696389 BSZFKKPXPSMSBO-CQSZACIVSA-N 322.449 3.423 10 10 DGCE CSc1ncc(CN2CC3(CCCCC3)NC[C@H]2C)s1 2284678131 UMHLXQKOIUTSCR-GFCCVEGCSA-N 311.520 3.362 10 10 DGCE C[C@H](N)c1ccc(N2CCO[C@H](P(C)(C)=O)C2)c(Cl)c1 2289304577 GZCCLCWVJYLQNN-IINYFYTJSA-N 316.769 3.145 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@@]12CC[C@@](CF)(C1)OC2 2290457468 CZAATDYDBLUZGR-KBPBESRZSA-N 320.191 3.450 10 10 DGCE CN(Cc1cc(Br)ccc1O)C[C@H]1C[C@@H](F)C1 2307412980 ZQANPQXOSNJBCT-WVSHTKLVSA-N 302.187 3.335 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@@H]3C[C@H]2[C@@H]2C[C@H]32)c(Br)c1 2308724178 CTWIJFZGOBJDKG-YCGCYHNXSA-N 307.235 3.313 10 10 DGCE CN(C)c1ccc(C=C2SC(=S)N(C3CC3)C2=O)cc1 2323854639 HFCUXLTWZKXRNA-UHFFFAOYSA-N 304.440 3.116 10 10 DGCE CCN(Cc1ccc(N)cc1)C(=O)c1ccc(O)c(Cl)c1 35361096 PDIMDWDNCBGGTF-UHFFFAOYSA-N 304.777 3.290 10 10 DGCE COc1ccc([C@](C)(Nc2ccc(Cl)cc2)C(N)=O)cc1 37951382 KRAHNNZCYGCHHO-INIZCTEOSA-N 304.777 3.161 10 10 DGCE CCc1nn(C)c(COCc2ccc(N)cc2)c1Br 89306711 OQXNVADNSSDWPF-UHFFFAOYSA-N 324.222 3.044 10 10 DGCE Cc1cccc(-n2c(C)cc(C(=O)NCC3(C)COC3)c2C)c1 112693604 FCSSFRNGMRGLIK-UHFFFAOYSA-N 312.413 3.169 10 10 DGCE COc1cccc(CNC(=O)/C=C/c2ccccc2Cl)c1O 155509176 MAXRXAZHLWWXRS-MDZDMXLPSA-N 317.772 3.384 10 10 DGCE C[C@H](NC1CCN(c2ccccn2)CC1)c1ccc(F)cc1O 170789082 UJRBWRZPZQTBHG-ZDUSSCGKSA-N 315.392 3.246 10 10 DGCE COc1ccc2ccc(O)c(CN3CCS[C@H](C)C3)c2c1 171606548 XOPHZTMBADZEIZ-GFCCVEGCSA-N 303.427 3.491 10 10 DGCE COc1ccc(O)c(CNCCc2cc(C)c(O)c(C)c2)c1 191576301 CCLCUIUANPBAIL-UHFFFAOYSA-N 301.386 3.056 10 10 DGCE CO[C@H]1CCN(Cc2cc(Cl)c(F)cc2O)CC1(C)C 294934991 GOJVUGFZHQEOIW-AWEZNQCLSA-N 301.789 3.432 10 10 DGCE C[C@@H]1CC2(CCC2)CN1Cc1ccc(N2CCOCC2)cc1 375407995 ZUHIRGFHOPDMRY-MRXNPFEDSA-N 300.446 3.288 10 10 DGCE CC[C@@H](C)[C@@H](c1ccc(N2CCCC2)cc1)N1CCNCC1 575289495 ZTCWVOJZIWAEGL-APWZRJJASA-N 301.478 3.279 10 10 DGCE CC(C)[C@H](CCNCc1ccccc1O)NC(=O)OC(C)(C)C 703107080 IFVWMOVJHGWWGO-HNNXBMFYSA-N 322.449 3.421 10 10 DGCE CCc1nccn1CCNCc1cc(Cl)cc(Cl)c1O 719763107 MLGKKLYGWRGTAB-UHFFFAOYSA-N 314.216 3.248 10 10 DGCE Cc1cccc(-n2c(C)cc(C(=O)N3C[C@@H]4CC[C@H](C3)O4)c2C)c1 744629071 CKBDXOVFSONYSE-HDICACEKSA-N 324.424 3.406 10 10 DGCE CCn1c(CN(C)c2ccc3c(c2)OCO3)nc2ccccc21 780778150 DSQUTBIOHDVKDM-UHFFFAOYSA-N 309.369 3.421 10 10 DGCE Cc1cc(Br)c(O)c(CN[C@@H](C)c2cn[nH]c2)c1 781636244 PPQQCZVJYNQXAS-VIFPVBQESA-N 310.195 3.037 10 10 DGCE CCOc1ccc(CN2CCC=C(Br)C2)c(O)c1 799737054 TVDXHSWNEQHLDT-UHFFFAOYSA-N 312.207 3.275 10 10 DGCE Cc1cc(C)c(O)c(CN2CCC3(C2)Oc2ccccc2O3)c1 808238440 FSGLVPDLNSGMPL-UHFFFAOYSA-N 311.381 3.382 10 10 DGCE CO[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)CN(Cc2cc(Cl)cc(C)c2O)[C@H]31 809698528 ZLHXRWJOPZGNSC-KWEIWBAHSA-N 307.821 3.209 10 10 DGCE O=C(NCCCCF)NCc1cc(Cl)cc(Cl)c1O 812927344 ZMUFVJLAMHBEKG-UHFFFAOYSA-N 309.168 3.248 10 10 DGCE CC(=O)c1cc(C(=O)N[C@@H](C)c2ccccc2O)c(C)nc1C 827968844 AMLLJTRJAJYJQZ-JTQLQIEISA-N 312.369 3.098 10 10 DGCE COC(=O)c1ccc(O)c([C@H](C)NCCCC2CCOCC2)c1 834818518 MYSWTACMYDXSMW-ZDUSSCGKSA-N 321.417 3.036 10 10 DGCE CN(C)c1ccc(/C=C\CNCC2(CCO)CCCC2)cc1 835044387 ZHELWCXFYGIIJG-WAYWQWQTSA-N 302.462 3.298 10 10 DGCE Oc1cc2c(cc1CN1CCC[C@@]3(CCOC3)C1)CCCC2 840141208 BVKYORXITNFWPZ-LJQANCHMSA-N 301.430 3.274 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1[C@@H](C)C[C@H]1C 840481405 DMBLHILGLPJQFH-KFWWJZLASA-N 303.450 3.184 10 10 DGCE Cc1cc(O)c(CNc2cnc3c(c2)COCC3)c(Cl)c1 840878485 DQENULSRWUQZLR-UHFFFAOYSA-N 304.777 3.434 10 10 DGCE CCCn1cc(CN[C@H](C)Cc2ccc(N(C)C)cc2C)cn1 840977511 UZLAHDPVRYGWQC-MRXNPFEDSA-N 314.477 3.388 10 10 DGCE C[C@@H](NCc1cnc(C(F)(F)F)nc1)c1cc(F)ccc1O 850485359 GHNUQGZIPGADPL-MRVPVSSYSA-N 315.270 3.191 10 10 DGCE Cc1cc(CN2C[C@@H]3COC[C@]3(C)C2)ccc1N1CCCCC1 852536477 VAQPZZFUQVHIAS-QUCCMNQESA-N 314.473 3.454 10 10 DGCE CN(C)c1ccc(CN2C[C@]34CCCC[C@]3(COC4)C2)cc1 852758308 DCIWDJMGCMGBCQ-KDURUIRLSA-N 300.446 3.145 10 10 DGCE C[C@H]1CN(Cc2c(O)ccc3ccncc23)C[C@](C)(C(F)F)O1 853631455 WKNAWZDCUWSWLA-APPDUMDISA-N 322.355 3.185 10 10 DGCE CCOC1(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)CCC1 854949934 ZWCSZGMCPSXOCM-OAHLLOKOSA-N 318.461 3.067 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@@H](C)O[C@H]1C 864949037 FQQBWSMWJAPWHE-RVKKMQEKSA-N 318.461 3.303 10 10 DGCE CCc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2O)s1 867834604 ROPVUPWGXRZFEY-SNVBAGLBSA-N 311.428 3.056 10 10 DGCE Cc1nn(C(C)(C)C)c(C)c1C(=O)N1Cc2cccc(O)c2C1 871201670 YHDIMFGPNSZHGN-UHFFFAOYSA-N 313.401 3.117 10 10 DGCE c1cc2c(cc1CN[C@@H](C1CCOCC1)C1CC1)CCCO2 922218241 YUEQXQDMRCGQKK-LJQANCHMSA-N 301.430 3.306 10 10 DGCE Cc1ccc(CNC(=O)c2cccc(O)c2O)c2ccccc12 1142290030 SMIYIXCSMZPJSF-UHFFFAOYSA-N 307.349 3.489 10 10 DGCE O=C(Cc1cccc(F)c1F)NCc1cc(Cl)ccc1O 1165499108 WJFMGKMHLFWTQY-UHFFFAOYSA-N 311.715 3.183 10 10 DGCE C[C@@H](NC(=O)c1cnn(Cc2ccccc2)c1)c1ccccc1O 1171717505 UDYFYAJBBOESTR-CQSZACIVSA-N 321.380 3.128 10 10 DGCE CC(C)(CC(=O)NCc1c(O)cccc1O)c1ccc(F)cc1 1178917725 RAAQDWWOLSKHGS-UHFFFAOYSA-N 317.360 3.221 10 10 DGCE COC(=O)c1cnc(Sc2nc3c(F)cccc3o2)s1 1307127862 RMBNICYGSVJKFH-UHFFFAOYSA-N 310.331 3.361 10 10 DGCE C[C@H]1N(C(=O)Cc2ccc(O)c(O)c2)c2ccccc2C1(C)C 1453430606 HQEDJXIZAZORDZ-GFCCVEGCSA-N 311.381 3.353 10 10 DGCE Cc1ccccc1C(C)(C)C(=O)NCc1c(O)cccc1F 1456093847 ONIFWALCYZPGSM-UHFFFAOYSA-N 301.361 3.434 10 10 DGCE O=C(NCc1cccc(Cl)c1O)C1(Nc2ccccc2)CC1 1457038712 ZINIEMXYULGGBG-UHFFFAOYSA-N 316.788 3.307 10 10 DGCE Cc1cc(CN(C)Cc2ccn(C)n2)ccc1N1CCCCC1 1460935073 LUERHBBMCZHWQB-UHFFFAOYSA-N 312.461 3.351 10 10 DGCE CC[C@@H](Cc1ccccc1)N(C)C(=O)Cc1ccc(O)c(O)c1 1628927709 UBUDRVOVLGLLJC-INIZCTEOSA-N 313.397 3.120 10 10 DGCE O=C(Nc1ccc(N=c2cc[nH]cc2)cc1)c1cc(O)cs1 1631879183 MWZWJWPXXBZNKH-UHFFFAOYSA-N 311.366 3.267 10 10 DGCE CSc1ccc([C@@H](C)NC(=O)Cc2ccc(O)c(O)c2)cc1 1634807885 JPFFIPLKVFRTGF-LLVKDONJSA-N 317.410 3.240 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCc3ccccc32)cc1 1640990207 HIWVRFXGANETPS-OAHLLOKOSA-N 308.341 3.266 10 10 DGCE COC(=O)c1cccc(N=c2[nH]c3c(C)cccc3s2)c1O 1859859053 XSQJMCQVVLNNKA-UHFFFAOYSA-N 314.366 3.262 10 10 DGCE Nc1ccc(NC(=O)c2cc(=O)c3cc(Cl)ccc3[nH]2)cc1 1866498367 INDUNZZPEAUWGG-UHFFFAOYSA-N 313.744 3.016 10 10 DGCE Cc1ccc(O)c([C@@H](C)N[C@H]2CCCC3(CC2)OCCO3)c1 1967523709 ONROTNCYICJKGT-CABCVRRESA-N 305.418 3.427 10 10 DGCE CC(C)(C)OC(=O)N1CCC12CC([C@H](N)c1ccccc1O)C2 1976886880 BWAYFZRITSNSGD-KVIBHRHWSA-N 318.417 3.182 10 10 DGCE CC[C@@](C)(CNC(=O)OC(C)(C)C)N(C)Cc1ccc(N)cc1 1977925825 JONXJDBKBPRSMS-SFHVURJKSA-N 321.465 3.394 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2CN(CCCN=[N+]=[N-])C(C)(C)[C@@H]2C1 1982247420 HTVXEYMLSPENCN-CHWSQXEVSA-N 323.441 3.264 10 10 DGCE CN(C)c1ccc([C@H](N)c2scnc2Br)cc1 2000263124 GLTHLGBXSRHFFK-JTQLQIEISA-N 312.236 3.020 10 10 DGCE CN1CCc2cc([C@H](N)[C@@H]3CCN(Cc4ccccc4)C3)ccc21 2015162527 SEBZJKGHRDQOMH-CTNGQTDRSA-N 321.468 3.201 10 10 DGCE Cc1nnc(Sc2ncc(CNCC(C)C)s2)s1 2037781098 KZYTTXSSJJCBMG-UHFFFAOYSA-N 300.478 3.200 10 10 DGCE CCc1nn([C@@H](c2cc(C)c(C)cc2O)C(C)C)c(N)c1CO 2079950737 JGGUMWBZLVKPER-QGZVFWFLSA-N 317.433 3.088 10 10 DGCE C[C@@H](N)c1ccc(N(C)C[C@@]2(Br)CC2(F)F)cc1 2082510495 PPYFGIOTCYXRIH-SKDRFNHKSA-N 319.193 3.315 10 10 DGCE CN(C[C@@H]1C2C[C@@H]3C1[C@@H]3C2)c1ccc(CN)c(Br)c1 2134491765 WIRVMUZTQGBEEJ-RXHFIWKCSA-N 321.262 3.246 10 10 DGCE CNCc1ccc(N(C)Cc2ncc(Cl)n2C)cc1Cl 2166115374 SWTHKGHWELRPJQ-UHFFFAOYSA-N 313.232 3.083 10 10 DGCE CN[C@@H](C)c1ccc(N2CC[C@@](F)(COC)C2)c(Cl)c1 2179802027 CKGYHWJVGZJQER-NHYWBVRUSA-N 300.805 3.185 10 10 DGCE Cc1cccc(CNC(=O)c2nc(Cl)ccc2Cl)c1O 2204620724 FMGYAPHIAWULPS-UHFFFAOYSA-N 311.168 3.332 10 10 DGCE CCN[C@](CSc1nccs1)(C[C@@H](C)CC)C(=O)OC 2207919170 ZUMCVDLCHNITFO-FZMZJTMJSA-N 316.492 3.193 10 10 DGCE CSc1ncc(CNC[C@@H](O)c2cccc(Cl)c2)s1 2208474973 HQEWREJLABGFBP-GFCCVEGCSA-N 314.863 3.342 10 10 DGCE Cc1nc(Sc2ncc(Cl)s2)sc1CC(=O)O 2216146068 LWIWPQKATCAUIU-UHFFFAOYSA-N 306.821 3.340 10 10 DGCE NCc1ccc(N2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2)cc1Br 2228683905 AWFNDSFBRUWRDG-BAESOJJISA-N 319.246 3.166 10 10 DGCE COc1cc(Cl)cc(CN(C)c2cncc(Cl)n2)c1O 2234695991 IRDLEPWZWGEVFE-UHFFFAOYSA-N 314.172 3.134 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)[C@@]2(C)Oc1ccc(N)cc1 2244338708 AUCHGZQNLASEJZ-IVWMJMPLSA-N 318.417 3.293 10 10 DGCE Cc1ccc(CNC(=O)[C@@H]2C=CCC2)c(O)c1Br 2327796340 FXJOEXUCKVVZQW-SNVBAGLBSA-N 310.191 3.046 10 10 DGCE CSc1cc(N2CC[C@H](SC(F)F)C2)ccc1CN 2353856841 IWBTZLCYRGFGLT-NSHDSACASA-N 304.431 3.402 10 10 DGCE CCC(C)(C)N(C)c1c(F)cc(CNCCOC)cc1F 69441756 POTZJDBQLSMNPL-UHFFFAOYSA-N 300.393 3.326 10 10 DGCE CCCCC(=O)N1C[C@@H](NCc2ccc(OC)c(C)c2)C[C@H]1C 1283946802 PYNYYPWINAXVAZ-WBVHZDCISA-N 318.461 3.273 10 10 DGCE CCCNCc1ccc(N2CCOC[C@H](F)C2)c(Cl)c1 2361808980 RJOIWVOUPAJKGC-CYBMUJFWSA-N 300.805 3.014 10 10 DGCE CSC[C@@H](C)CNCc1cccc(Br)c1O 68999114 YWEGUADLEKEESF-VIFPVBQESA-N 304.253 3.243 10 10 DGCE CC(C)OCCCCN[C@H](C)c1ccc(N2CCOCC2)cc1 180464739 YTMNIHPCWKPBNN-QGZVFWFLSA-N 320.477 3.379 10 10 DGCE CCOCc1cc(CNC[C@H]2CCC(C)(C)O2)ccc1OC 189716236 OHQMYXRNEBONFM-MRXNPFEDSA-N 307.434 3.279 10 10 DGCE Cc1ccccc1NC1=NC(=O)/C(=C/c2cc(C#N)n(C)c2)S1 190233227 BEMLIUNFRRXCNE-NVNXTCNLSA-N 322.393 3.288 10 10 DGCE CC[C@@H]1CN(c2ccc([C@@H](C)N)c(Br)c2)CCO1 233979052 NUXDZSZKJQPUCK-ZYHUDNBSSA-N 313.239 3.084 10 10 DGCE N[C@@H](CCCO)c1cc(Cl)c(OCc2ccccc2)cc1O 95770150 HOLCRZMWEDNRHD-HNNXBMFYSA-N 321.804 3.397 10 10 DGCE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NCc1ccccc1O 180392158 YRNTZYOMHOVQMM-UKRRQHHQSA-N 320.433 3.127 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CC(C)(C)OC2(C)C)c1 528864394 ZPPASONIMFAWQP-RISCZKNCSA-N 321.417 3.172 10 10 DGCE CCN(C)c1ccc([C@H](C)N[C@H]2CCCn3nc(C)nc32)cc1 246398090 LLPRDZWJTARCBV-GUYCJALGSA-N 313.449 3.228 10 10 DGCE COc1ccc(O)c(CNC(=O)/C=C\c2c(F)cccc2F)c1 255684693 OJDDHBKYTMUOIJ-VURMDHGXSA-N 319.307 3.009 10 10 DGCE CC(C)n1ncnc1CN1CCCc2cc(OC(F)F)ccc21 369480013 ACLQCJICHQYPFS-UHFFFAOYSA-N 322.359 3.413 10 10 DGCE C[C@@H]1CCN(Cc2c(O)cccc2Cl)C[C@@H]1n1ccnc1 271228098 BFMFKLMMCFFXLN-DOMZBBRYSA-N 305.809 3.325 10 10 DGCE Cc1ccc(C(=O)NCC2CC(c3ccccc3)C2)c(O)c1O 802192851 HOKZRKZRFGIXFU-UHFFFAOYSA-N 311.381 3.330 10 10 DGCE COc1cc(O)c(CN[C@H]2C[C@]2(F)c2ccccc2)cc1OC 822498238 WSXIQGNXQSXWSW-ROUUACIJSA-N 317.360 3.136 10 10 DGCE C[C@H](NCc1c(O)cccc1Cl)[C@@H]1C[C@H](C(=O)O)C1(C)C 848640320 PGXVBGTWLIBBTG-ZMLRMANQSA-N 311.809 3.271 10 10 DGCE O=C(NCC[C@H]1CSc2ccccc2O1)c1cc(O)cs1 844146038 HSHFCRQYJGWGLE-NSHDSACASA-N 321.423 3.127 10 10 DGCE C[C@H](CC(=O)NCc1c(O)ccc2c1CCCC2)c1cccnc1 743718415 OKSGGYFNWPYQSQ-CQSZACIVSA-N 324.424 3.476 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)[C@]3(C)CCC[C@@H]3C)C2)cc1 855226978 RUKGCRQHJRTSGE-YZVOILCLSA-N 316.445 3.216 10 10 DGCE Cc1ccc(C(=O)NC2CCC3(CC2)CC3(F)F)c(O)c1O 855960256 KUVGUSYTHFASRB-UHFFFAOYSA-N 311.328 3.104 10 10 DGCE C[C@@]1(CNC(=O)NCc2cc(Cl)ccc2O)C[C@@H]2C[C@@H]2C1 858889691 KQYWTVVJXZVWPM-CDMJZVDBSA-N 308.809 3.281 10 10 DGCE CN(C)c1ccc(CNCc2nc(C(C)(C)C)co2)cc1F 921622466 DQLGLBPFUYVWNQ-UHFFFAOYSA-N 305.397 3.467 10 10 DGCE COc1cc(N(C)Cc2cc(C3CC3)no2)cc(OC)c1OC 851784876 WIYAVGKSKGCNHJ-UHFFFAOYSA-N 318.373 3.214 10 10 DGCE Cc1cc(Br)c(O)c(CN[C@H](C)c2ccnn2C)c1 865839432 VZSXZPLKUJUKOT-SNVBAGLBSA-N 324.222 3.047 10 10 DGCE COc1ccc(O)c(CN2CCC[C@@H](OC3CCC3)CC2)c1 872262263 WILYKMCMGSPVSU-MRXNPFEDSA-N 305.418 3.324 10 10 DGCE O=C(NCCc1cccc2ccccc12)c1cccc(O)c1O 776347338 ZJXYXDMKLRDLMO-UHFFFAOYSA-N 307.349 3.224 10 10 DGCE C[C@@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@@H]1F 778620558 NPTBARNFXOPPNU-PBHICJAKSA-N 319.424 3.176 10 10 DGCE Cc1cc(C)c2c(c1)N(C(=O)/C=C\c1ccc(C)nc1)CCO2 1130699704 JQPVQCZFESLLQO-SREVYHEPSA-N 308.381 3.446 10 10 DGCE COc1cc(C)cc(CN2CCCC[C@@H](N3CCCC3)C2)c1O 893986117 JWNBDAAVSMMBEZ-QGZVFWFLSA-N 318.461 3.160 10 10 DGCE Cc1ccc2c(c1)C=C(C(=O)N1Cc3cccc(O)c3C1)CO2 1152574555 YBUSJFBUNHGJIZ-UHFFFAOYSA-N 307.349 3.019 10 10 DGCE O=C1NN=C(c2cccc(F)c2)/C1=C\Nc1ccc(Cl)cc1 1088700403 ICQVWCUIVDPRSP-NTEUORMPSA-N 315.735 3.309 10 10 DGCE COc1ccc2c(c1)C[C@H](C(C)C)CN2CCc1cnn(C)c1 1307863492 GXXLEARWBOTBIE-KRWDZBQOSA-N 313.445 3.306 10 10 DGCE COc1ccc2c(c1)NC1(CCCCCC1)CN2[C@H](C)CN 76931239 IUAXBNZJMGMBPO-CQSZACIVSA-N 303.450 3.367 10 10 DGCE COc1cccc(OC)c1-c1nccn1Cc1ccc(N)cc1 82735779 JBGVNUPSDVQVKQ-UHFFFAOYSA-N 309.369 3.198 10 10 DGCE Cc1ccc(O)c(CN[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)c1 704617414 BRBFAOPUNSCINB-ZFWWWQNUSA-N 320.433 3.188 10 10 DGCE Cc1cccc(Br)c1NCc1ccc(O)c(O)c1O 709837870 YDNKWNKEGHWSHX-UHFFFAOYSA-N 324.174 3.486 10 10 DGCE CCCOCCCNCc1cc(Br)cc(F)c1O 715745182 KTAPNKPSYOXYEP-UHFFFAOYSA-N 320.202 3.200 10 10 DGCE C[C@@](NCCCN=[N+]=[N-])(C(=O)O)c1ccc(F)cc1Cl 90258673 JNFDECISIFAELI-LBPRGKRZSA-N 300.721 3.069 10 10 DGCE COc1ccc(CN[C@H](C)CNC(=O)/C=C\C(C)(C)C)cc1C 1266927653 LBORRIGHDDNLEH-FJVVXJACSA-N 318.461 3.200 10 10 DGCE Cc1ccc([C@@H]2CCCN2C(=O)Cc2ccc(O)c(O)c2)cc1 1441013029 HNZARTZTIQTVIZ-INIZCTEOSA-N 311.381 3.312 10 10 DGCE Cc1ncccc1/C=C/C(=O)N1C[C@H](C)Oc2c(F)cccc21 1459125060 NWPAMABUAMCOQF-BCPZQOPPSA-N 312.344 3.356 10 10 DGCE Cc1ccc(/C=C/C(=O)N2CCOc3c2ccc(F)c3F)cn1 1529217636 AENWCLBANVIPCP-QPJJXVBHSA-N 316.307 3.107 10 10 DGCE CN(C)c1ccc(CNC(=O)[C@H]2CC[C@H]3C[C@H]3CC2)cc1F 1528618996 GZLDZWCSOGIKEE-QKDCVEJESA-N 304.409 3.334 10 10 DGCE O=C(NCCc1ccccc1)c1cc2cc(O)c(O)cc2s1 1618505355 JHYVSSQZHXRJGR-UHFFFAOYSA-N 313.378 3.285 10 10 DGCE C[C@H]1Oc2ccccc2C=C1/C=C1/SC(=S)N(C)C1=O 1103570 DRBKZYNZUMJFLP-TVNQGELYSA-N 303.408 3.225 10 10 DGCE CCOc1cc(N(C)Cc2ccc(N3CCCC3)cc2)ncn1 1642021405 FIYHUKHHJKARIW-UHFFFAOYSA-N 312.417 3.112 10 10 DGCE CC(=O)c1ccc(C(=O)NCc2cc(Cl)ccc2O)s1 1644590876 SGVZBYZZWLTEMT-UHFFFAOYSA-N 309.774 3.240 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1cnn(CC2CC2)c1 1597743223 YFVVIWDLBYHYIF-UHFFFAOYSA-N 321.380 3.082 10 10 DGCE CC[C@@H]1C[C@H]1NC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C 1672169809 TZOKPRUIGBHIKJ-CKEIUWERSA-N 303.450 3.090 10 10 DGCE C/C=C(\C)C(=O)NCC1(NCc2ccc(OC)c(C)c2)CCC1 1673156061 NHGHRBXCYRCYJA-LHHJGKSTSA-N 316.445 3.098 10 10 DGCE COC(=O)/C=C\c1ccc(N2CCCC[C@@H]2C)c([N+](=O)[O-])c1 206255177 VDYUCUIHWOHVHE-UPZNUWHASA-N 304.346 3.160 10 10 DGCE CCNCc1ccc(N2CCOC[C@@H]2C)c(C(F)(F)F)c1 163674683 QHJPJDIARROMBW-NSHDSACASA-N 302.340 3.040 10 10 DGCE OCc1ccc(N(Cc2ccccc2)C2COC2)cc1Cl 1915730314 MMPFFOXNCVUOPR-UHFFFAOYSA-N 303.789 3.238 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@](C)(NCc2ccccc2O)C1 1935937140 ZCNGPKITCBEAQI-SFHVURJKSA-N 320.433 3.271 10 10 DGCE CCN[C@H](c1ccccc1O)C1(NC(=O)OC(C)(C)C)CCC1 1936970730 OJXSXCKFDFTHIU-OAHLLOKOSA-N 320.433 3.490 10 10 DGCE C[C@H]1CCN(c2ccc(CN)c(Br)c2)C[C@H]1F 1946916349 CBTOIZASKWSGBV-TVQRCGJNSA-N 301.203 3.092 10 10 DGCE Oc1c(F)cc(Br)cc1[C@H]1NCCCC1(F)F 1952815852 OHUDDCRMTBPNTG-SNVBAGLBSA-N 310.113 3.354 10 10 DGCE CN(C)c1ccc([C@@H](O)c2cnn(Cc3ccccc3)c2)cc1 1977937625 CQVQHKUPGUYBOP-LJQANCHMSA-N 307.397 3.079 10 10 DGCE C[C@H](NC[C@H]1C[C@H]1NC(=O)OC(C)(C)C)c1ccc(F)cc1O 1978007314 BDCLGGHZWNWBRD-MISXGVKJSA-N 324.396 3.095 10 10 DGCE C[C@H](N(Cc1ccccc1)Cc1cc(N)ccc1O)C(C)(C)O 1980733517 PHEDBLJBRZYPNO-AWEZNQCLSA-N 314.429 3.136 10 10 DGCE CCN[C@@H](C)c1ccc(N(C)CC(F)(F)CO)cc1Cl 2150989685 KKPAGYOTFILERW-JTQLQIEISA-N 306.784 3.074 10 10 DGCE NC[C@@]12CC[C@H]1CCCN2Cc1cc(Cl)cc(Cl)c1O 2145603012 CYSBZDAULHFOFG-ABAIWWIYSA-N 315.244 3.402 10 10 DGCE C[C@@H](N)c1ccc(N2CCOC[C@H]2C(F)(F)F)c(Cl)c1 2150373426 MPNXLVFYJYPKJF-PELKAZGASA-N 308.731 3.127 10 10 DGCE Cc1cc(Br)cc(CN2C[C@@H](F)C[C@@H]2C)c1O 1997688163 FKMDBEAVRCXPRF-CABZTGNLSA-N 302.187 3.395 10 10 DGCE CCNCc1ccc(N2CC[C@H](F)C2)c(Br)c1 701711263 BFCODAJVOIWHJX-NSHDSACASA-N 301.203 3.107 10 10 DGCE CC[C@H]1CCOC[C@@H]1N(C)c1cc(Cl)c(CN)cc1F 2177379026 WOULOZHSPVCHGG-BONVTDFDSA-N 300.805 3.189 10 10 DGCE CN(CCc1ccc(N)cc1)[C@H]1CCCN(Cc2ccccc2)C1 388881512 QYVFJKNIRXFKQE-NRFANRHFSA-N 323.484 3.408 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1C[C@H]2[C@@H]1[C@H]1CC[C@H]2O1 2188732290 TZOVNHAIEUYQIC-FZGMBXNASA-N 314.212 3.355 10 10 DGCE Nc1ccc(C[C@H](O)c2ccc(Br)c(F)c2)cc1 2077433435 KJARCYQJBPWTCH-AWEZNQCLSA-N 310.166 3.447 10 10 DGCE CCN(CC)c1ccc(C2(O)CCC3(CC2)OCCO3)cc1 2106826572 UQBVIRKEJCVWKD-UHFFFAOYSA-N 305.418 3.038 10 10 DGCE Cc1ccnc(C(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])c1Br 2225794524 GPHCQNNATWLUNE-IUCAKERBSA-N 324.182 3.114 10 10 DGCE CN(Cc1ccc(N)cc1)C(=O)c1cc(Cl)cnc1Cl 2236673557 MDJLBXOYDPTBQX-UHFFFAOYSA-N 310.184 3.243 10 10 DGCE O=C1C(=Cc2cccnc2)SC(=S)N1[C@H]1C[C@H]2CC[C@H]1C2 2296522369 NIWLMFXDLWALFU-DRZSPHRISA-N 316.451 3.471 10 10 DGCE CCOC(=O)C1CCN(CC=Cc2ccc(N(C)C)cc2)CC1 2297318256 XCAHGFLJDLRKJQ-UHFFFAOYSA-N 316.445 3.041 10 10 DGCE O=C(C=Cc1cncc(O)c1)N1CCc2c(Cl)cccc21 2308034358 RVZMFJMHQUWCDP-UHFFFAOYSA-N 300.745 3.043 10 10 DGCE Cc1ccn2c(N=Nc3cccc(O)c3)c(CC(=O)O)nc2c1 2320768844 NQSLKYBNQXNXCR-UHFFFAOYSA-N 310.313 3.391 10 10 DGCE C[C@H](O)c1ccc(N2Cc3cccnc3C2)c(Br)c1 2336971827 RKKYEKYOMKJFAH-JTQLQIEISA-N 319.202 3.418 10 10 DGCE COc1ccc(C[C@](C)(Sc2nccs2)C(=O)O)cc1 2353862287 FVHDRQYIPLDXIQ-AWEZNQCLSA-N 309.412 3.330 10 10 DGCE CCCN(CCC)c1ccc(CNC[C@]2(O)CCSC2)cc1 176756153 MQRLTBVJYGSGIS-GOSISDBHSA-N 322.518 3.271 10 10 DGCE CCNCc1cc(F)c(N(CCO)Cc2ccccc2)c(F)c1 302992436 ILIBYNCGAGKIDR-UHFFFAOYSA-N 320.383 3.073 10 10 DGCE [N-]=[N+]=NCCCCNC(=O)c1cc(F)ccc1Br 231732743 HDRPAQCBWXLJPF-UHFFFAOYSA-N 315.146 3.409 10 10 DGCE CSCCCN(C)c1ccc(CN)c(Br)c1F 306028521 URRYFPOYPJEDDH-UHFFFAOYSA-N 321.259 3.236 10 10 DGCE Cc1ccc([C@H](C)NCC[C@@H]2C(=O)Nc3ccccc32)c(O)c1 185879365 HDKPTELCBCGYIV-BBRMVZONSA-N 310.397 3.477 10 10 DGCE N[C@@H]1CCCN(c2ccc(OCCC(F)(F)F)cc2F)C1 87439523 PYHLVIFWDTUREH-SNVBAGLBSA-N 306.303 3.084 10 10 DGCE COc1ccc(N(C)Cc2nc(C3CCCC3)no2)c(OC)c1 131598182 IVEFWBLFHHASKM-UHFFFAOYSA-N 317.389 3.381 10 10 DGCE C[C@H](CS(=O)(=O)Nc1ccc(O)cc1F)c1ccccc1 149452309 CGLLGIOZTXWSRT-LLVKDONJSA-N 309.362 3.077 10 10 DGCE CCOc1ccc(O)c(CN2CCO[C@H](c3cccs3)C2)c1 92594698 OHSFZPJHZKTXKA-INIZCTEOSA-N 319.426 3.426 10 10 DGCE CC[C@@H](CN[C@@H](C)c1c(O)cccc1O)NC(=O)OC(C)(C)C 233884365 GDSRUXFBKDLKKP-RYUDHWBXSA-N 324.421 3.052 10 10 DGCE COc1ccc(O)c([C@@H](C)NC[C@@H]2CCCN(C(C)C)C2)c1 248527670 VRNFCQFVBSHSEP-CABCVRRESA-N 306.450 3.172 10 10 DGCE CNCc1ccc(N(CCO)Cc2ccccc2)c(Cl)c1 164045794 CTOLQYHIGHDZQR-UHFFFAOYSA-N 304.821 3.058 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)NCC[C@@H]1CCOC1 802287314 DAJNUQDMNVOKSU-OAHLLOKOSA-N 320.433 3.131 10 10 DGCE COC(=O)CC(C)(C)C[C@@H](C)N[C@@H](C)c1cc(OC)ccc1O 825934877 LXXAKSGBSHQOAN-OLZOCXBDSA-N 323.433 3.419 10 10 DGCE COC(=O)[C@@H]1CCCC[C@@H]1NCc1cc(Cl)c(F)cc1O 824862399 ZKQDEWHZBUGYGR-MFKMUULPSA-N 315.772 3.006 10 10 DGCE Oc1cccc2c1[C@@H](NCCOc1ccc(F)cc1F)CC2 834617405 YDDZCKFANXALHR-AWEZNQCLSA-N 305.324 3.326 10 10 DGCE Cc1ccsc1[C@@H](CO)NC/C=C\c1ccc(N(C)C)cc1 835042887 LCVCMXSKROOTOR-VGOKWCNXSA-N 316.470 3.459 10 10 DGCE C[C@H](N[C@H]1CCN(C)[C@@H]1C)c1ccc(Cl)c(Cl)c1O 903299894 CTQDKSWZJALULI-SBMIAAHKSA-N 303.233 3.442 10 10 DGCE C[C@H]1CN(C/C=C\c2ccc(N(C)C)cc2)CCN(C2CC2)C1 835055548 WATDATCUXOHLKZ-CHYADLBTSA-N 313.489 3.182 10 10 DGCE CN(C/C=C\c1ccc(N(C)C)cc1)CC(=O)OC(C)(C)C 835026791 HSUUKVOQKYLWCK-FPLPWBNLSA-N 304.434 3.039 10 10 DGCE CC(C)N1CCC([C@H]2C[C@H]2NCc2ccc3c(c2)CCO3)CC1 585506911 MTUVPMPTSGBJGL-RTBURBONSA-N 314.473 3.220 10 10 DGCE Cc1ncc2c(n1)CC[C@@H](NC/C=C\c1ccc(N(C)C)cc1)C2 835037409 VSETZZLUFCWWEF-PYTPGESOSA-N 322.456 3.011 10 10 DGCE C[C@@H]1CC[C@H](C(=O)O)N1Cc1cc(Cl)cc(Cl)c1O 844933470 FYMPTVFZTZPTQT-RDDDGLTNSA-N 304.173 3.137 10 10 DGCE C[C@@H]1CCCc2ncc(-c3nc(Cc4ccc(N)cc4)no3)n21 844906540 QSHOHJIPXFHNLT-LLVKDONJSA-N 309.373 3.003 10 10 DGCE CCN(CC)c1ccc(CN(C[C@H]2CCC(=O)N2)C(C)C)cc1 840975693 KEKKNXHXCHKQPJ-QGZVFWFLSA-N 317.477 3.022 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3COC[C@H]3C2)cc1 856152891 HUKFYZMYHADLPG-ZWKOTPCHSA-N 324.424 3.203 10 10 DGCE C[C@H](N)c1ccc(N2CCO[C@H](C(F)(F)F)C2)cc1Cl 698813898 QEEDZCGSAAYSQA-UFBFGSQYSA-N 308.731 3.127 10 10 DGCE C[C@H](NC(=O)N[C@H](C1CCC1)[C@H]1CCCO1)c1ccccc1O 868988700 AZIIZEGSKZSRHV-JCURWCKSSA-N 318.417 3.100 10 10 DGCE C[C@H](NC(=O)N[C@@H](C1CC1)C(F)(F)F)c1ccccc1O 868617091 DSMWSNTWGUIEGI-UFBFGSQYSA-N 302.296 3.093 10 10 DGCE C[C@H](NCc1nc(-c2ccoc2)no1)c1ccc(N(C)C)cc1 775834912 VUWRXBSUZAJKFT-LBPRGKRZSA-N 312.373 3.246 10 10 DGCE C[C@@]1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CCCS1 896964190 QFOKOLBUBRRXAJ-HNNXBMFYSA-N 323.439 3.328 10 10 DGCE CC1(N2CCCC2)CCN(Cc2cc(F)cc(F)c2O)CC1 895438611 HIEDZFVEWNFNFP-UHFFFAOYSA-N 310.388 3.121 10 10 DGCE C[C@H](CNCc1c(O)cccc1F)N(C)Cc1ccccc1 1958762996 LIGBESUUIKBJST-CQSZACIVSA-N 302.393 3.141 10 10 DGCE COC(=O)/C=C\c1ccc(N(C)C2CC(C)(C)C2)c([N+](=O)[O-])c1 1163459584 IBAKSYBJMMCIIT-VURMDHGXSA-N 318.373 3.406 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1Nc1c(N)cccc1Cl 1886530028 LOTFLXQXAOIJJI-RYUDHWBXSA-N 311.813 3.390 10 10 DGCE CCOc1ccc(N2CC[C@H](CNCc3ccco3)C2)cc1 76364872 DPRFIEKLFMDFSB-OAHLLOKOSA-N 300.402 3.294 10 10 DGCE CN(C)c1ccc(CNCCCCNC(=O)OC(C)(C)C)cc1 397944976 SGRGLZLENXRJBJ-UHFFFAOYSA-N 321.465 3.147 10 10 DGCE NC[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CC12CCC2 693666446 KBXWQFVJCWFLRM-LLVKDONJSA-N 315.244 3.260 10 10 DGCE COc1ccc(CNC[C@@H](C)CNC(=O)CC(C)(C)C)cc1C 1568159840 AFLYXHZBTMXHET-CQSZACIVSA-N 320.477 3.282 10 10 DGCE C[C@@H](NC(=O)c1cnn(-c2ccccc2)c1)c1ccccc1O 1648889789 MAERXDAMBRGQOB-CYBMUJFWSA-N 307.353 3.069 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)Cc2ccc(Br)cc2)C1 1912181374 NJTQRZPCFLVTCY-NSHDSACASA-N 323.194 3.150 10 10 DGCE [N-]=[N+]=NCCN1C[C@@]23CCC[C@@]2(C1)CN(Cc1ccccc1)C3 1912172166 CDNSAZSVZLEQAA-QZTJIDSGSA-N 311.433 3.285 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN(CCc2ccc(Br)cn2)C1 1912210101 FCNPZSXNAOWMRG-LLVKDONJSA-N 324.226 3.409 10 10 DGCE O=C(NCc1c(O)cccc1F)c1c[nH]cc1Cc1ccccc1 1652298954 WDINOHZELORCPA-UHFFFAOYSA-N 324.355 3.380 10 10 DGCE CCCC(=O)NC1(CNCc2ccc(OC)c(C)c2)CCCC1 1698623311 ARDGZCCQCRXUHM-UHFFFAOYSA-N 318.461 3.322 10 10 DGCE CCOC(=O)N1CCC(N=NNc2ccc(N(C)C)cc2)CC1 1860486816 GMEFOPGLOVMKRX-UHFFFAOYSA-N 319.409 3.153 10 10 DGCE CCc1ccc(OCC(=O)N(c2ccc(N)cc2)C2CC2)cc1 1857926818 CJKIOSCNDYIGSK-UHFFFAOYSA-N 310.397 3.406 10 10 DGCE CN(Cc1cscn1)c1ccc(CN)c(Br)c1 228150855 WPWGCWMLQPDHFX-UHFFFAOYSA-N 312.236 3.001 10 10 DGCE Cc1c(Cl)cccc1NS(=O)(=O)Cc1ccc(N)cc1 21509358 BREIGBHBDFENNZ-UHFFFAOYSA-N 310.806 3.173 10 10 DGCE Oc1ccc(CNc2c(F)cc(F)cc2Cl)c(O)c1O 236592904 ULSKBYCHHHMNIW-UHFFFAOYSA-N 301.676 3.347 10 10 DGCE CN(C(=O)Cc1ccc(N)cc1)[C@@H]1CC[C@@H]1OCc1ccccc1 1950435958 GFFNLUDANLHFSE-MOPGFXCFSA-N 324.424 3.018 10 10 DGCE CN(C)c1ccc([C@@H]2CNCCCN2C(=O)OC(C)(C)C)cc1 1952419361 WGIXOLHWHYBMAG-INIZCTEOSA-N 319.449 3.024 10 10 DGCE CN(C)c1ccc([C@@H](N)[C@@H](NC(=O)OC(C)(C)C)C2CC2)cc1 1977944645 ITSQNTJUEFZEGV-CVEARBPZSA-N 319.449 3.056 10 10 DGCE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2ccc(N)cc2)C1 1977969806 FRUGCXJIGALXCX-ZIAGYGMSSA-N 319.449 3.398 10 10 DGCE CN[C@H](c1ccccc1O)[C@]1(NC(=O)OC(C)(C)C)CC1(C)C 1979223562 VLTICVUYQDUWOQ-RDTXWAMCSA-N 320.433 3.346 10 10 DGCE CN(Cc1ccc(Br)cc1O)CP(C)(C)=O 1992335357 AYRZEHOJRHBZKC-UHFFFAOYSA-N 306.140 3.167 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNCC12CCCN1CCC2 2154939920 QYJUNYCAOMCJLL-UHFFFAOYSA-N 315.244 3.417 10 10 DGCE CC[C@H](CCNCc1ccc(Br)cc1O)COC 2034914829 BQIJDHOAQMIEKK-LLVKDONJSA-N 316.239 3.307 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN(CC1CCC1)C1CNC1 2160196175 YZNCMQLURQTAHP-UHFFFAOYSA-N 315.244 3.273 10 10 DGCE CO[C@H]1CCCN(Cc2cc(Br)ccc2O)[C@@H]1C 2037811771 IUXKWMPCVJEDBG-YGRLFVJLSA-N 314.223 3.154 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)Cc2ccc(Br)cc2)C1 403686889 WWROSCZAPYNHLS-LBPRGKRZSA-N 323.194 3.293 10 10 DGCE C[C@H](NCc1cncc(Br)c1)c1c(O)cccc1O 703001549 DEIWRVWKFXEWEZ-VIFPVBQESA-N 323.190 3.106 10 10 DGCE Oc1ccc(F)cc1CN[C@H]1CCCN(Cc2ccccc2)C1 378936270 FGVHWJCYMDILCJ-SFHVURJKSA-N 314.404 3.286 10 10 DGCE Brc1cc(N2C[C@H]3C[C@H]3C2)ccc1CNC1CC1 379547646 HIVRAITVQKFZPV-TXEJJXNPSA-N 307.235 3.157 10 10 DGCE C[C@H]1CCN(c2ccc([C@H](C)O)cc2Br)CCO1 720416794 WUOXAGOJFJDEEG-QWRGUYRKSA-N 314.223 3.118 10 10 DGCE C[C@]1(P(C)(C)=O)CCCN1c1c(F)cc(CO)cc1F 2181641174 NUWAZYZEEVVYID-AWEZNQCLSA-N 303.289 3.396 10 10 DGCE CNCc1ccc(N(C)[C@@H]2CS[C@@H](C(F)(F)F)C2)cc1 2189460799 DYXHXFOZEYPYSC-QWHCGFSZSA-N 304.381 3.279 10 10 DGCE CN(C)c1ccc([C@@](C)(O)c2ccc(Br)o2)cc1 2044708924 RMNRKGZGXSWPSF-CQSZACIVSA-N 310.191 3.364 10 10 DGCE CCC[C@H](COC)N(C)Cc1c(O)cccc1Br 2047298676 PPESHNIVHDYFRT-LLVKDONJSA-N 316.239 3.402 10 10 DGCE CC[C@@H]1CC[C@@H](CNCc2cc(Br)ccc2O)O1 2081658197 SPJODNCBGIBDFQ-OLZOCXBDSA-N 314.223 3.202 10 10 DGCE CN[C@@H](c1coc(Br)c1)c1ccc2c(c1)CCN2C 2106856122 VWKITUVRNRDDGG-OAHLLOKOSA-N 321.218 3.343 10 10 DGCE CC[C@]1(C)CN(c2ccc(OC)cc2Br)CCN1 2221629556 YMTLRHZVJTYRQI-CQSZACIVSA-N 313.239 3.036 10 10 DGCE CSc1ncc(Cn2c(=N)[nH]c3cc(Cl)ccc32)s1 2269285714 SQEDPWSJKUGXNV-UHFFFAOYSA-N 310.835 3.329 10 10 DGCE O[C@@H]1[C@@H]2C[C@@H]3[C@@H]1N(c1ccc(OCc4ccccc4)cc1)C[C@@H]3C2 2299509483 AMTLKPRWRCDSMR-JPKZGUTDSA-N 321.420 3.471 10 10 DGCE Cc1c(C=CC(=O)N2C[C@@H](C)Sc3ccccc32)cnn1C 2304260866 VCOYGDFBOKIPOC-GFCCVEGCSA-N 313.426 3.269 10 10 DGCE CCN(CC)C(=O)[n+]1ccc(/C=C/c2ccc(OC)cc2)cc1 5794375 MRVILHFCBJIFLB-VOTSOKGWSA-N 311.405 3.463 10 10 DGCE COc1ccc(/C=C2\SC(NC3CCCC3)=NC2=O)cc1F 26762499 KOYWZBPFKRRMES-ZROIWOOFSA-N 320.389 3.337 10 10 DGCE C[C@@H](c1ccccc1O)N(C)C(=O)c1ccc(Cl)c(N)c1 37826525 OWDGVHZUTCVQGQ-JTQLQIEISA-N 304.777 3.461 10 10 DGCE Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cccc(O)c1 153910907 OVLQIBRZGKIICA-UHFFFAOYSA-N 307.309 3.208 10 10 DGCE CC(C)(C)OC(=O)N1CCCCC[C@@H]1[C@H]1CCCC(=O)C1=O 230416136 IIGHJVXNGXTEST-CHWSQXEVSA-N 309.406 3.104 10 10 DGCE C[C@H](Nc1ccc(Br)nc1)c1cc(O)ccc1O 235552857 SNGQDRQYABKAHA-QMMMGPOBSA-N 309.163 3.428 10 10 DGCE CCO[C@@H]1C[C@@H](N[C@H](C)c2cc(OC)ccc2O)C12CCC2 248530092 XEDYHEJUJUTLFK-CSMYWGQOSA-N 305.418 3.399 10 10 DGCE C[C@@H](NCc1ccccc1O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 279689871 HZIQADVMSCEKMD-HIFRSBDPSA-N 320.433 3.127 10 10 DGCE Cc1cccc(CN[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1O 382474942 GWMLUJDNVPHRRB-HUUCEWRRSA-N 320.433 3.236 10 10 DGCE Cc1cc(N(C)C[C@@H]2CCN(Cc3ccccc3)C2)ccc1CN 382775045 NYQYVUBIODFQEO-IBGZPJMESA-N 323.484 3.412 10 10 DGCE CO[C@H]1CCC[C@H]1N(C)Cc1c(O)cccc1Br 687463080 MEEISAMOWXREOP-OCCSQVGLSA-N 314.223 3.154 10 10 DGCE Nc1ccc(C[C@H](O)c2cccc(Br)c2F)cc1 696593561 HAHLQALCSDYRFD-ZDUSSCGKSA-N 310.166 3.447 10 10 DGCE C[C@@H](NCc1cncc(Br)c1)c1c(O)cccc1O 703001548 DEIWRVWKFXEWEZ-SECBINFHSA-N 323.190 3.106 10 10 DGCE CNCc1ccc(N2CC[C@@H](C(F)F)C2)c(Br)c1 707146525 KZCSAQGGPLGVGH-SNVBAGLBSA-N 319.193 3.260 10 10 DGCE CCc1cnc(CCN[C@H](C)c2cc([N+](=O)[O-])ccc2O)s1 756606774 BJEXFBBZMOXBBT-SNVBAGLBSA-N 321.402 3.213 10 10 DGCE CCOc1cccc(CN(CCOC)[C@H]2C[C@H]3CC[C@H]2C3)c1O 775207362 VACQZKFZQZXUHM-ZOBUZTSGSA-N 319.445 3.428 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCCOCC2)cc1 782073211 XAMHJLCOODTGAW-QGZVFWFLSA-N 318.461 3.308 10 10 DGCE CCOc1ccc(O)c(CNC[C@@H](c2ccnn2C)C(C)C)c1 788073925 ATMXTLOJPAMLHY-MRXNPFEDSA-N 317.433 3.054 10 10 DGCE CCOC(=O)CC1(NCc2ccc(OCC)cc2O)CCCC1 789780013 UNDUXURFAYZURY-UHFFFAOYSA-N 321.417 3.147 10 10 DGCE CC(=O)C(=O)COC(=O)c1csc(-c2ccc(Cl)cc2)c1 795869724 JFAKBYGFHYNKLX-UHFFFAOYSA-N 322.769 3.383 10 10 DGCE CCc1cccc(CN[C@H](C)c2ccc(-n3cncn3)cc2)c1O 848892590 BDUQVQAIPGXXLJ-CQSZACIVSA-N 322.412 3.386 10 10 DGCE CC[C@@H](N[C@H](COC)C1CCOCC1)c1ccc(C)cc1O 850494747 XXXJSMFCZAMDEU-IAGOWNOFSA-N 307.434 3.183 10 10 DGCE CO[C@@H]1CCC[C@H]([C@@H](CO)N[C@H](C)c2ccc(C)c(C)c2O)C1 850502882 SMHMVDLRERVXST-KYHPRHEASA-N 321.461 3.226 10 10 DGCE COc1ccc(N2CC[C@@H](Nc3sccc3[N+](=O)[O-])C2)cc1 853758393 DWQQXRCKWHNOLI-LLVKDONJSA-N 319.386 3.356 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)CCC3CCCC3)C2)cc1 855234617 HBKWGCHHRXIGQZ-MRXNPFEDSA-N 316.445 3.361 10 10 DGCE CN(C)c1cc(F)c(CN[C@@H]2C[C@@H](O)c3ccccc32)cc1F 858190006 XWWXVPBSJRNJDQ-SJLPKXTDSA-N 318.367 3.299 10 10 DGCE C[C@@H](CC(=O)N(C)Cc1ccc(N(C)C)cc1)C(F)(F)F 858200208 QHSYTKFJYAPPMU-NSHDSACASA-N 302.340 3.300 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c[nH]nc1C(C)C 865027522 TWWJCSUTFZGDFR-UHFFFAOYSA-N 314.433 3.261 10 10 DGCE CC[C@@H](C[C@@H](C)O)NCc1cc(C)cc(Br)c1O 865873738 HNBGHGNLDCAHBQ-PWSUYJOCSA-N 316.239 3.102 10 10 DGCE Cc1cccc(O)c1CNC[C@@H](C)N(C)C(=O)OC(C)(C)C 877504304 JJXNSKGDSOIVLP-CYBMUJFWSA-N 308.422 3.046 10 10 DGCE COc1ccc(O)c(CN2CCCC[C@@H](C3CCOCC3)C2)c1 895717485 RICSOBYUJGGGLF-MRXNPFEDSA-N 319.445 3.430 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@]12CCCC[C@H]1OCC2 929533370 SFKLNWWMXLCEJD-MJGOQNOKSA-N 316.445 3.060 10 10 DGCE Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H]1c2ccccc2C[C@H]1O 1116584291 CZLVPKIUZYCLGH-QMORNJKRSA-N 309.409 3.497 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)c1cc2c(o1)CCCC2 1165508453 ORBQHEZKLZDZSW-UHFFFAOYSA-N 305.761 3.447 10 10 DGCE Cc1cc(O)c(CNCCC(=O)N2CCC[C@H](C)C2)c(Cl)c1 1325582764 SQRNKSLFHJZHPA-LBPRGKRZSA-N 324.852 3.092 10 10 DGCE CC[C@H](C)OCC(=O)N(C)Cc1ccc(N2CCCC2)cc1 1351162707 JGDSBDCYYIASNT-HNNXBMFYSA-N 304.434 3.060 10 10 DGCE c1cc2c(cc1CN[C@@H]1CCOCC13CCCC3)CCCO2 1461823292 WOMIWDDCYMMWTE-GOSISDBHSA-N 301.430 3.451 10 10 DGCE CC1(C)CCC[C@H]1[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1469337973 JHYRXBFCNKIVTO-CABCVRRESA-N 317.429 3.315 10 10 DGCE CC(C)(C)c1ncc(/C=C/C(=O)N2CCc3cccnc32)s1 1527463045 YYTHLIZEFCVRSE-VOTSOKGWSA-N 313.426 3.438 10 10 DGCE Cc1cccc(-n2c(C)cc(C(=O)NC3CSC3)c2C)c1 1558489799 XQIZEGXMLRDOKG-UHFFFAOYSA-N 300.427 3.248 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)[C@]12CCC[C@H]1OCC2 1558554231 GGAUDXXMPGZEOG-MJGOQNOKSA-N 311.381 3.121 10 10 DGCE COc1ccc(N(CCC(C)C)C[C@@H]2CCc3ncnn32)cc1 1559809676 JJZGZSQZWPPDHD-INIZCTEOSA-N 314.433 3.327 10 10 DGCE C[C@@H]1CCN(Cc2cc(Br)cc(F)c2O)C[C@@H]1F 1621200333 HWZNXCXQSVXSED-PELKAZGASA-N 320.177 3.474 10 10 DGCE C[C@@H](NC(=O)[C@@](C)(O)c1ccc(Cl)cc1)c1ccccc1O 1635799055 NKJWRWMQLCSDTP-DIFFPNOSSA-N 319.788 3.131 10 10 DGCE C[C@@H](NC(=O)N[C@@H]1CCCC[C@@H]1F)c1ccc(N(C)C)cc1 1671852435 YJSYARNLRZXPHB-UHOFOFEASA-N 307.413 3.394 10 10 DGCE COc1ccc(CNC[C@@H](CC(C)C)NC(=O)C2CC2)cc1C 1732458622 JXMQSLISRXWBFU-QGZVFWFLSA-N 318.461 3.034 10 10 DGCE Cc1cc(C)c(NC(=O)c2cc(O)c(O)c(O)c2)c(Cl)c1 1865876380 HMRKERKZBHAKFG-UHFFFAOYSA-N 307.733 3.326 10 10 DGCE CC[C@@H](O)CN(Cc1ccccc1)c1ccc(OC)cc1N 1915428116 ZBAHVJVULUICRC-OAHLLOKOSA-N 300.402 3.055 10 10 DGCE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1c1c(N)cccc1O 1953074024 OHJFKYFTSHMFHE-JTQLQIEISA-N 314.332 3.292 10 10 DGCE CC[C@H](CNC(=O)OC(C)(C)C)NCc1c(C)cccc1O 1958786040 GXXKMYPAJFLWMW-CYBMUJFWSA-N 308.422 3.094 10 10 DGCE CC1(Nc2ccc(N)cc2)CCN(C(=O)OC(C)(C)C)CC1 1959374263 SMNLJBMNFLCRCS-UHFFFAOYSA-N 305.422 3.470 10 10 DGCE C[C@@H](CCNC(=O)OC(C)(C)C)N(C)Cc1ccc(N)cc1 1959549259 MXBBUOBJNGZQBH-ZDUSSCGKSA-N 307.438 3.004 10 10 DGCE COC[C@@](C)(NCc1c(O)cccc1Br)C1CC1 1965993932 NMHJELIMCPJKLX-CQSZACIVSA-N 314.223 3.059 10 10 DGCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@H]1CCC[C@@H]1N 1978851217 NEONSUJASMWCPN-HOTGVXAUSA-N 319.449 3.027 10 10 DGCE CC(C)(C)OC(=O)NCC1CC(F)(CNc2ccc(N)cc2)C1 1981295069 DUQGMQICLKQGEW-UHFFFAOYSA-N 323.412 3.324 10 10 DGCE N[C@H]1CCc2cc(N3CC[C@H](OCc4ccccc4)C3)ccc21 1986608451 DZUNQNYCODSLRM-ICSRJNTNSA-N 308.425 3.428 10 10 DGCE CCCCc1nc(C)c(CC(=O)Nc2ccc(O)c(O)c2)s1 2064693483 NIEULEDOPMBLJV-UHFFFAOYSA-N 320.414 3.387 10 10 DGCE CO[C@H]1CC[C@@H]1CCNCc1cccc(Br)c1O 2066825277 GVMXFOYGCCXIEV-MFKMUULPSA-N 314.223 3.059 10 10 DGCE COc1cccc(O)c1[C@@H](C)n1ncc(-c2ccccc2)c1N 2070241601 VUNSONOLHDFLIZ-GFCCVEGCSA-N 309.369 3.456 10 10 DGCE Oc1cccc(Br)c1CNC[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32 2070860113 ASYLRIVCRNCNPG-MKMFFTSQSA-N 308.219 3.146 10 10 DGCE C[C@](O)(c1ccccc1Br)[C@H](N)c1ccccc1O 2091863981 QMVJDXNVDDHOMQ-CABCVRRESA-N 322.202 3.062 10 10 DGCE CN[C@@H](C)c1ccc(N(C)[C@H](CCO)C(F)F)cc1Cl 2178502336 YLIJRYHKLCDZAP-TVQRCGJNSA-N 306.784 3.073 10 10 DGCE COc1ccc(Br)c(CN[C@H]2CC[C@H](C)C2)c1O 2220462023 FPMPNVHXRZBDJO-UWVGGRQHSA-N 314.223 3.442 10 10 DGCE COc1ccc(N2CC[C@](CO)(C(F)(F)F)C2)cc1Cl 2235224536 XLKFWGYLOOWVRL-LBPRGKRZSA-N 309.715 3.100 10 10 DGCE CN(c1ccc2c(c1)CCC[C@H]2O)C1CSCCSC1 2237053376 GIYHAMBVPGCWIR-MRXNPFEDSA-N 309.500 3.341 10 10 DGCE C[C@H](Nc1cnncc1Br)c1cc(F)ccc1O 2264156456 UIXOYXRPOLHEIO-ZETCQYMHSA-N 312.142 3.257 10 10 DGCE Oc1ccc(CNc2ccc(Br)c(O)c2)cc1O 2321056281 QZEYCSKJEQGIDB-UHFFFAOYSA-N 310.147 3.178 10 10 DGCE C[C@@H](NC(=O)c1cc(Br)ccn1)c1ccccc1O 2336359458 NLOACUMEAYUBAC-SECBINFHSA-N 321.174 3.041 10 10 DGCE COc1ccc(N2CC[C@H](O)C[C@H]2C(F)(F)F)cc1Cl 2361532268 HRRYQASJPCQZCX-CABZTGNLSA-N 309.715 3.241 10 10 DGCE COc1cc2c(cc1OC)N(CCCO)CC1(CCCCC1)N2 75280746 OLUYUPQRNAMLCR-UHFFFAOYSA-N 320.433 3.021 10 10 DGCE CCOc1ccc(N(C)C[C@H](O)COCc2ccccc2)cc1 84963766 JCTRDZWKCUHBLP-SFHVURJKSA-N 315.413 3.099 10 10 DGCE CCSc1cccc(C(=O)NCc2cc(OC)ccc2O)c1 158444343 MJTKSORGTYBTIL-UHFFFAOYSA-N 317.410 3.443 10 10 DGCE CN1CCN(c2ccc(CNC3CC3)cc2Cl)CC1(C)C 164076827 ZLNYRIGOTJUKHZ-UHFFFAOYSA-N 307.869 3.122 10 10 DGCE CC(=O)c1cc(Cl)cc(CN(C)[C@H]2CCN(C)[C@@H](C)C2)c1O 177291983 WJMJADUDRHCCAF-NHYWBVRUSA-N 324.852 3.163 10 10 DGCE CCO[C@@H]1C[C@H](N(C)Cc2cc([N+](=O)[O-])ccc2O)C12CCC2 177916167 WJCLQYAUASQCDA-JKSUJKDBSA-N 320.389 3.080 10 10 DGCE CC(C)c1nc([C@@H]2CCCN2Cc2cc(F)ccc2O)no1 180031388 YBUBWCUWRMSVFX-ZDUSSCGKSA-N 305.353 3.375 10 10 DGCE Oc1c(Cl)cccc1CN1CCC(Cn2cccn2)CC1 180125668 DANGAJBEUUFOOS-UHFFFAOYSA-N 305.809 3.154 10 10 DGCE C[C@@H](NC1(CO)CCC1)c1ccc(N2CCCCC2)c(F)c1 182433499 HADINDILTCGUNT-CQSZACIVSA-N 306.425 3.382 10 10 DGCE COc1ccc(CN2CC[C@H](Oc3cccc(F)c3)C2)c(O)c1 183212100 DKDIGJVHTCPONS-KRWDZBQOSA-N 317.360 3.193 10 10 DGCE CCOc1ccc(O)c(CN(C)CC2(O)CCCCCC2)c1 190141423 APISUPZWEMBIIR-UHFFFAOYSA-N 307.434 3.308 10 10 DGCE Oc1cc2c(cc1CNc1ccc3scnc3c1)OCO2 192256050 DBKODKOICUXVBT-UHFFFAOYSA-N 300.339 3.343 10 10 DGCE Nc1ccc(NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 217313580 VAJKMPUXXPWGBJ-UHFFFAOYSA-N 306.709 3.474 10 10 DGCE C[C@H](NCC(C)(C)NC(=O)OC(C)(C)C)c1c(O)cccc1O 235512620 MFYNRHXOSBOAAT-NSHDSACASA-N 324.421 3.052 10 10 DGCE CCC(CC)OC(=O)/C=C\c1ccc(N2CCOCC2)cc1 255541318 OQWNAQDCECHXDD-YFHOEESVSA-N 303.402 3.268 10 10 DGCE CC(C)N(Cc1cc(Br)ccc1O)[C@H]1CCOC1 291313246 RULQRXYFZJOLBP-ZDUSSCGKSA-N 314.223 3.154 10 10 DGCE C[C@H](N)c1ccc(N2CC[S@@](=O)C(C)(C)CC2)c(Cl)c1 321614979 HJOWDORGGGJUPS-PRWKNARSSA-N 314.882 3.097 10 10 DGCE Cc1ccc([C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)cc1 363756035 QHWOWZKXSOXTSQ-HFTQHKIXSA-N 323.392 3.436 10 10 DGCE CNCc1ccc(N(C)C(C)(C)COC)c(Br)c1 386255299 DQQMRSKGRFBAGZ-UHFFFAOYSA-N 315.255 3.030 10 10 DGCE Cc1ccc(C)n1NCc1cc(Br)cc(F)c1O 715799166 ZBGGTXQPYBDCLM-UHFFFAOYSA-N 313.170 3.456 10 10 DGCE C[C@H](CC(=O)NCc1ccc2c(c1)CCCN2C)c1cccnc1 734429297 LLHZFGJWSADWCF-OAHLLOKOSA-N 323.440 3.274 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H](C)c2cccnc2)c1 734548236 CBVBSCGOYQOYFG-CHWSQXEVSA-N 314.385 3.167 10 10 DGCE CN(C)c1ccc(CN(C(=O)C2CCC(=O)CC2)C2CC2)cc1 746117758 JRCKSINQAMSGLY-UHFFFAOYSA-N 314.429 3.003 10 10 DGCE c1ccc(-n2cc(COc3ccc(N4CCCC4)cc3)nn2)cc1 749795894 LMSAIFKXYHDYAN-UHFFFAOYSA-N 320.396 3.447 10 10 DGCE COC(=O)c1cc(CN[C@@H](C)c2ccc(N(C)C)cc2)c(C)o1 775835235 SNKPFOPWBVHJJU-LBPRGKRZSA-N 316.401 3.291 10 10 DGCE O=C(c1cc(O)cs1)N1CCC[C@@]2(C1)OCc1ccccc12 776295180 LWWWYDINPWFXHA-KRWDZBQOSA-N 315.394 3.115 10 10 DGCE COc1ccc(CNC(=O)NCC[C@H]2CCC[C@@H](C)C2)c(O)c1 792944720 DNFYCULPTLBORV-ZIAGYGMSSA-N 320.433 3.416 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2ccccc2)c1 802782587 YMGACMFKWSEKKH-OAUYIBNBSA-N 311.381 3.382 10 10 DGCE CCCNC(=O)[C@@H]1CCCN(Cc2c(O)cc(C)cc2Cl)C1 840913422 WBIJECHDHSWVJG-CYBMUJFWSA-N 324.852 3.092 10 10 DGCE CCCNC(=O)[C@H]1CCCN(Cc2c(O)cc(C)cc2Cl)C1 840913426 WBIJECHDHSWVJG-ZDUSSCGKSA-N 324.852 3.092 10 10 DGCE CCN(CC)c1ccc(CN2CCC[C@@H]([C@H]3CCCN3)C2)cc1 843044786 JFTAFKNSBIQHNR-UYAOXDASSA-N 315.505 3.497 10 10 DGCE COc1ccnc(CNC(=S)Nc2ccc(C)c(C)c2)c1F 849296897 LFLGUCHTIBZEJB-UHFFFAOYSA-N 319.405 3.333 10 10 DGCE CCN(C(=O)c1cc(O)cs1)[C@@H](C)[C@@H](O)c1ccccc1 854564441 YMTGQOUMTHNNAO-XHDPSFHLSA-N 305.399 3.038 10 10 DGCE COc1cccc([C@@H]2C[C@H]2C(=O)NCc2cc(C)ccc2O)c1 862754620 HMTGVDZLBYBNRP-DLBZAZTESA-N 311.381 3.129 10 10 DGCE CCOc1ncc(C)cc1NC(=O)N1Cc2cccc(O)c2C1 931582046 AWFLCRHPKNZWNJ-UHFFFAOYSA-N 313.357 3.042 10 10 DGCE Cc1cccc(C(=O)N[C@H](C)c2ccccc2O)c1[N+](=O)[O-] 1151885643 AECGCLKQFWWQET-LLVKDONJSA-N 300.314 3.100 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)[C@H](C)CC(C)C)cc1 1278287962 AKKBBCABGOBECU-OAHLLOKOSA-N 306.450 3.272 10 10 DGCE Cc1cccc(C2(C(=O)NCc3c(O)cccc3O)CCC2)c1 1456232863 CFSRFFNKPRFLEP-UHFFFAOYSA-N 311.381 3.144 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1cnc2cc[nH]c2c1 1545504718 CTNNNYMTAICGSK-UHFFFAOYSA-N 309.369 3.321 10 10 DGCE CC(C)(C)Cc1csc(NC(=O)Cc2ccc(O)c(O)c2)n1 1597823562 IVHBPCJANQGSPB-UHFFFAOYSA-N 320.414 3.324 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)/C(C)=C\c2ccncc2)c1 1622780005 ZWIJMANADWQYIQ-KXXVWKPMSA-N 312.369 3.077 10 10 DGCE CSc1cc(C(=O)NCc2cc(Cl)ccc2O)ccn1 1640920001 IAXQUHZRCVPBSR-UHFFFAOYSA-N 308.790 3.093 10 10 DGCE C[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1O 1642827365 FTWMDBNKNDNUTF-OBIHZWKSSA-N 312.325 3.191 10 10 DGCE O=C1CCCCc2ccc(NC(=O)c3cccc(O)c3O)cc21 1643005019 GXDONMMSNHZNIS-UHFFFAOYSA-N 311.337 3.259 10 10 DGCE CCCC(=O)N[C@H]1CCC[C@@H](NCc2ccc(OC)c(C)c2)C1 1662737961 ARHHVGHCVGOYBS-SJORKVTESA-N 318.461 3.321 10 10 DGCE CCC1(CC)[C@H](NC(=O)N2Cc3cccc(O)c3C2)C[C@H]1OC 1680882286 KTLGIZXBYZZHOG-HZPDHXFCSA-N 318.417 3.011 10 10 DGCE C[C@H]1C[C@@H](C)CN(C(=O)CCNCc2cc(Cl)ccc2O)C1 1857865151 XZVFBBHIEAHPSZ-BETUJISGSA-N 324.852 3.030 10 10 DGCE CC(=O)N[C@@H](C)CN=NNc1ccc(N2CCC(C)CC2)cc1 1860492729 HITKORLIUYRQTC-AWEZNQCLSA-N 317.437 3.227 10 10 DGCE CCC1=NN(CC)C(=O)/C1=C/c1cc(Br)ccc1O 1865672153 NNDZBIDNJJGKMB-DHZHZOJOSA-N 323.190 3.166 10 10 DGCE CC(C)[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)[C@H](N)c1ccccc1O 1897298865 ZFGPZQHFPVBEIK-JCKWVBRZSA-N 320.433 3.331 10 10 DGCE CN(CCOCc1ccccc1)c1ccc(C=CC(=O)O)cc1 1911710928 VMUGXYQIPMFZKX-UHFFFAOYSA-N 311.381 3.437 10 10 DGCE CC(C)N(CCNCc1ccc(N)cc1)C(=O)OC(C)(C)C 1929717397 YUGQWIOZWHVSGV-UHFFFAOYSA-N 307.438 3.004 10 10 DGCE CC(C)(C)OC(=O)N[C@H](C(=O)O)c1c(O)ccc2ccccc12 1951380852 DAJGXCBNLLLIOX-AWEZNQCLSA-N 317.341 3.196 10 10 DGCE CC(C)(C)OC(=O)N[C@H](CNc1ccc(N)cc1)C(F)(F)F 1959366910 MPLKDVDQUJBUEV-LLVKDONJSA-N 319.327 3.136 10 10 DGCE CC1(C)COCC[C@@H]1NCc1ccc(Br)cc1O 1962972158 MZJYJPKJOVVQEA-ZDUSSCGKSA-N 314.223 3.059 10 10 DGCE COc1cccc(O)c1CNC(C)(C)COCc1ccccc1 1976856626 AMIPSLYIMXFJTQ-UHFFFAOYSA-N 315.413 3.486 10 10 DGCE C[C@H]1CN(c2ccc(N)cc2)C[C@@]1(C)CNC(=O)OC(C)(C)C 1977966932 AFNKNMKTJOYNDU-SCLBCKFNSA-N 319.449 3.256 10 10 DGCE CC[C@@H](CN(C)Cc1cccc(Br)c1O)OC 2014871328 NSTSPPGOJGZTBF-NSHDSACASA-N 302.212 3.012 10 10 DGCE CC1=C(Br)CN(c2ccc(CCN)c(C)c2)CC1 2034772936 BOAQYCFFYYUZML-UHFFFAOYSA-N 309.251 3.375 10 10 DGCE CNCc1cc(CC(C)C)nn1[C@H](C)c1c(O)cccc1OC 2070050123 KXSOWELXDSSXLC-CYBMUJFWSA-N 317.433 3.125 10 10 DGCE OCc1cc(C2CCCC2)nn1Cc1cc(Cl)ccc1O 2070200550 VUEMWBDVTKBPRW-UHFFFAOYSA-N 306.793 3.440 10 10 DGCE COc1cnn([C@H](C)c2cc(C)ccc2O)c1Br 2070289952 WWIDZOGRSNEJHT-SECBINFHSA-N 311.179 3.278 10 10 DGCE Nc1ccc(CCNc2c(N)cccc2Br)cc1 2071656970 SAPSRKBNXVRIHJ-UHFFFAOYSA-N 306.207 3.268 10 10 DGCE Cc1ccc([C@H](C(C)C)n2nc(C(C)C)c(CN)c2N)c(O)c1 2078980568 GUWCOGTUMAZTKY-KRWDZBQOSA-N 316.449 3.307 10 10 DGCE CC[C@@H](c1cc(C)c(C)cc1O)n1nc(C(F)F)c(N)c1N 2079846008 WTZSUYTURLVVLT-JTQLQIEISA-N 310.348 3.307 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CC[C@H]2COCC[C@H]21 2088705243 BANWTMMMKDZBNY-TVQRCGJNSA-N 302.201 3.310 10 10 DGCE O=S(=O)(Nc1ccc(O)cc1Cl)[C@H]1CCCC[C@H]1F 2118891112 BPBJWFPWXPUJER-PWSUYJOCSA-N 307.774 3.068 10 10 DGCE CN1CCc2cc([C@@H](O)[C@H](N)c3sccc3Cl)ccc21 2148558772 SMMSLGLHLYMNBG-UONOGXRCSA-N 308.834 3.127 10 10 DGCE Nc1ccc(CC[C@@H](O)c2ncc(C(F)(F)F)s2)cc1 2156068976 XXYRFSGAWLQXTQ-SNVBAGLBSA-N 302.321 3.410 10 10 DGCE CN(C)c1ccc([C@H](N)c2ncc(C(F)(F)F)s2)cc1 2156069757 BRORPCYBWYGRMW-NSHDSACASA-N 301.337 3.276 10 10 DGCE COCCNCc1ccc(N2C[C@@H](F)C[C@@H]2C)cc1Cl 2160294197 HDWNREHHCSWASY-AAEUAGOBSA-N 300.805 3.013 10 10 DGCE COCCNCc1ccc(N(C)CP(C)(C)=O)cc1Cl 2198578196 UPNFWGNTETVHLI-UHFFFAOYSA-N 318.785 3.092 10 10 DGCE C[C@H](N)c1ccc(N2CC[C@@H]3C[C@@]3(F)C2)cc1Br 2222708819 RYFGMYMIVVCINX-IMSIIYSGSA-N 313.214 3.407 10 10 DGCE CN[C@H](C)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1 2244235898 UJCOMYYMKWSHQN-CQSZACIVSA-N 319.449 3.024 10 10 DGCE Oc1cc(Br)ccc1CN[C@@H]1CCC[C@@H]1CF 2251056311 HQHKGPFXDXSAQD-BXKDBHETSA-N 302.187 3.383 10 10 DGCE C[C@@H](N=c1[nH]c(Cl)nc(Cl)c1F)c1ccccc1O 2265685313 LAHMXTDJERDBBG-ZCFIWIBFSA-N 302.136 3.223 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)c(Br)c1 2308718535 CTWIJFZGOBJDKG-FEHBXSEYSA-N 307.235 3.313 10 10 DGCE COc1ccc2c(c1)c(C=C1SC(=S)N(C)C1=O)cn2C 2323802573 HPZCDPJAQBYISO-UHFFFAOYSA-N 318.423 3.018 10 10 DGCE C[C@]12CC[C@]1(C)C(=O)N(c1c(Cl)cc(N)cc1Cl)C2=O 2365778772 NICKPZXXTZWKMU-ZIAGYGMSSA-N 313.184 3.255 10 10 DGCE CCCC1CCC(NS(=O)(=O)Cc2ccc(N)cc2)CC1 49541588 DKJPHYTWFQIAMT-UHFFFAOYSA-N 310.463 3.047 10 10 DGCE CCOC(=O)[C@@H](CN=[N+]=[N-])Nc1cccc(Br)c1 91314478 ZJBYYVMOJCQPLJ-SNVBAGLBSA-N 313.155 3.103 10 10 DGCE Nc1ccc(CCC(=O)[C@@H]2CCO[C@@]3(CCSC3)C2)cc1 124652158 XYEQWPVNHGRIIH-PBHICJAKSA-N 305.443 3.073 10 10 DGCE CCc1oc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)cc1C 131217987 JIJMOFSQLTYAIK-NSHDSACASA-N 303.358 3.356 10 10 DGCE CCNCc1ccc(N2CCN(CC(C)C)CC2)c(Cl)c1 164052913 GVHUCFKFRUUQRG-UHFFFAOYSA-N 309.885 3.228 10 10 DGCE C[C@H](NCC[C@@H]1C(=O)Nc2ccccc21)c1cc(F)ccc1O 185879791 XADZEZJFXBHSPZ-FZMZJTMJSA-N 314.360 3.308 10 10 DGCE CCOC[C@H](C)OC(=O)c1cc(C)n(-c2ccccn2)c1C 190780611 XKIRGFXSVKGAEJ-ZDUSSCGKSA-N 302.374 3.071 10 10 DGCE C[C@@H]1CCN(Cc2cccc(Cl)c2O)C[C@H]1n1ccnc1 245863832 PNIDRYUWTMGIGT-IUODEOHRSA-N 305.809 3.325 10 10 DGCE CN(Cc1ccccc1O)C(=O)/C=C\c1c(F)cccc1F 255084979 RNOQTVGFGVGVRB-KTKRTIGZSA-N 303.308 3.342 10 10 DGCE Cc1ccc(CN(C)C(=O)NCc2ccc(N(C)C)c(F)c2)o1 283715681 UMJFLGHWZZYHJL-UHFFFAOYSA-N 319.380 3.135 10 10 DGCE COCCn1c(C)c(C)c2cc(C(=O)NC[C@H]3C[C@H]3C)ccc21 343259515 MQCDKKHLHXWOEF-MLGOLLRUSA-N 314.429 3.290 10 10 DGCE COC(=O)Cc1ccc(Br)c2c(O)csc12 396271611 QADGDMNRCZISJP-UHFFFAOYSA-N 301.161 3.085 10 10 DGCE CN(C)c1ccc([C@]2(C)C(=O)CCN2Cc2ccccc2)cc1 712064816 QZMGDRJZGVYOSN-HXUWFJFHSA-N 308.425 3.443 10 10 DGCE C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)/C=C\c1ccc(O)c(O)c1 779518030 VHIIDCLBKTZIFD-KRUHJCJQSA-N 309.365 3.161 10 10 DGCE CCc1occc1C(=O)NCc1cc(Br)ccc1O 804734040 AJNKOTUXXVUUBN-UHFFFAOYSA-N 324.174 3.240 10 10 DGCE CCN(CC)c1ccc(CNCC[C@@H](O)C(F)(F)F)cc1F 809743044 JQCROTHRAVPVDX-CQSZACIVSA-N 322.346 3.075 10 10 DGCE COc1cc(O)c(CN2CCC(C)(C3CC3)CC2)cc1OC 811514581 NOGKWVPKKOGCIO-UHFFFAOYSA-N 305.418 3.422 10 10 DGCE COC(=O)CCCCCNCc1ccc2ccccc2c1O 816610451 KXMDNUCGMVDVRW-UHFFFAOYSA-N 301.386 3.368 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)Cc1ccc2c(c1)NCC2 823764981 GCLNYHFFBZANOE-UHFFFAOYSA-N 324.424 3.342 10 10 DGCE Oc1c(F)cc(Cl)cc1CN[C@@H]1C[C@@H](O)c2ccccc21 827179449 YBDBPZDNHSJUPS-HUUCEWRRSA-N 307.752 3.453 10 10 DGCE CC(C)c1noc(CCCN[C@H]2CCc3cccc(O)c32)n1 834558204 BUISUPKOCOQAKA-ZDUSSCGKSA-N 301.390 3.108 10 10 DGCE Cc1cccc(CN[C@H](C[C@H]2CCCO2)C(F)(F)F)c1O 848927783 NQBKXXUZDAJCFP-CHWSQXEVSA-N 303.324 3.290 10 10 DGCE COc1ccc(N2CC[C@H](N[C@@H]3C[C@H](N)c4ccccc43)C2)cc1 854217188 KKDCPIPQSGMKDN-PNHOKKKMSA-N 323.440 3.008 10 10 DGCE CC/C(C)=C(\C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855224521 FQUCBFVSWFWNOG-SZGUKTLCSA-N 302.418 3.137 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)C(C)(C)C)C2)cc1 855232904 ZKXIFJNRDQSQSX-UONOGXRCSA-N 304.434 3.072 10 10 DGCE O=C(c1cccc(O)c1O)N1CCC[C@](F)(c2ccccc2)C1 871371529 BVGGOIUDLGPYKL-GOSISDBHSA-N 315.344 3.199 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@@H]2CC[C@@H]3COCC[C@@H]3C2)c1 922213613 PSNUEETWGRMNEK-GBJTYRQASA-N 305.418 3.257 10 10 DGCE O=C(NCc1cccc(Cl)c1O)Nc1ccc(C2CC2)nn1 930403588 QXJKFCAVMCFRQN-UHFFFAOYSA-N 318.764 3.035 10 10 DGCE O=C(NCCc1ccsc1)NCc1cccc(Cl)c1O 1224401050 UAAXUTBLEVQYPV-UHFFFAOYSA-N 310.806 3.149 10 10 DGCE Cc1c(C(=O)N[C@H](C)c2ccccc2O)c(O)nc2ccccc12 1302530422 OUHOGDNSQTXEKN-GFCCVEGCSA-N 322.364 3.445 10 10 DGCE O=C(NCc1cc(O)ccc1O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 1303225697 NOLFSSMQQOYWCR-LSDHHAIUSA-N 317.772 3.171 10 10 DGCE Cc1ccc(O)c2c1[C@H](C)C[C@H]2NC[C@H]1CNCCC1(F)F 1354234664 ILRKIEAZHGJUQP-JHJVBQTASA-N 310.388 3.083 10 10 DGCE CCSCc1ccccc1C(=O)NCc1cc(O)ccc1O 1455355136 QCTNFBNYPDPZPS-UHFFFAOYSA-N 317.410 3.281 10 10 DGCE CC[C@H](NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C)[C@H](C)O 1467991498 LTHSTNJXBQGWAX-YJBOKZPZSA-N 314.429 3.292 10 10 DGCE O=C(NCc1cccc(Cl)c1O)c1scnc1C(F)F 1472316630 AGXGQQYNQHPVTH-UHFFFAOYSA-N 318.732 3.370 10 10 DGCE CCC1(CC)[C@@H](OC)C[C@H]1NC(=O)N[C@H](C)c1ccccc1O 1564411065 CFTHRYDYTIROAV-WQVCFCJDSA-N 320.433 3.346 10 10 DGCE CCCN1N=C(C(F)(F)F)/C(=C/c2cccc(F)c2)C1=O 1865679114 WAMDYUZCLWYLTB-FLIBITNWSA-N 300.255 3.380 10 10 DGCE CCCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)c1ccccc1O 1928469212 FWBOVAJUFIDOBZ-HIFRSBDPSA-N 308.422 3.476 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@@H](F)[C@H](C)C2)cc1Br 1947330460 CPQXPWVFSGTQPO-JRKPZEMJSA-N 301.203 3.263 10 10 DGCE C[C@H](CNCc1c(O)cccc1F)COCc1ccccc1 1958764218 TVOBFLUPFNFNFT-CQSZACIVSA-N 303.377 3.474 10 10 DGCE Cc1cccc(O)c1CN[C@H]1CCCN(Cc2ccccc2)C1 1976874913 BFQNWNNVPCSBKZ-SFHVURJKSA-N 310.441 3.455 10 10 DGCE CC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(N)cc1 1977895994 HVOZMZHJRSVWRJ-MRXNPFEDSA-N 319.449 3.100 10 10 DGCE Cc1sc(Br)nc1CN1CCC[C@H](N=[N+]=[N-])C1 2004968892 FHUPQBJPOQFZIM-QMMMGPOBSA-N 316.228 3.489 10 10 DGCE [N-]=[N+]=NCC1(CNC(=O)c2csc(Br)c2)CC1 2006021686 XMLLQAHFKQNBTE-UHFFFAOYSA-N 315.196 3.331 10 10 DGCE CN1CCc2cc([C@@H](N)c3ccc(Br)o3)ccc21 2044753140 WBPWXWIKIJQPFN-CQSZACIVSA-N 307.191 3.083 10 10 DGCE C[C@H]1OCC[C@H]1CN(C)Cc1c(O)cccc1Br 2057474615 ILUPQCJSAOHRQZ-MNOVXSKESA-N 314.223 3.012 10 10 DGCE CC(C)(C)OC(=O)c1ccnn1Cc1c(O)cccc1Cl 2069986074 PMFCLXBNHXVAPT-UHFFFAOYSA-N 308.765 3.246 10 10 DGCE Cc1cc(O)c([C@H](C)n2nc(C3CC3)cc2C(=O)O)cc1C 2070003838 OIUKYJHWTZYIAN-NSHDSACASA-N 300.358 3.390 10 10 DGCE Nc1ccc(C[C@@H](O)c2cc(F)ccc2Br)cc1 2077762632 AKJODHSHKDMKFU-CQSZACIVSA-N 310.166 3.447 10 10 DGCE CO[C@H]1C[C@@H](C)CN(Cc2ccc(Br)cc2O)C1 2085081260 OSRSGRJCYJNPRW-MFKMUULPSA-N 314.223 3.012 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCC[C@@]12CCNC2 2088452551 GYYUCWYWLOJUDL-AWEZNQCLSA-N 301.217 3.027 10 10 DGCE CCCSC1CN(c2c(F)cc(CNCC)cc2F)C1 2153911766 MPUSRBWMUKGANY-UHFFFAOYSA-N 300.418 3.406 10 10 DGCE C[C@H](N)c1ccc(N(C)Cc2c(Cl)cnn2C)c(Cl)c1 2168141431 PKMUYOSKPCOHJW-VIFPVBQESA-N 313.232 3.383 10 10 DGCE CN(C[C@@H]1CCC(C)(C)O1)c1cc(Cl)c(CN)cc1F 2177380471 DZMYWFBMQQJWLY-NSHDSACASA-N 300.805 3.332 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN(Cc2cc(Br)ccn2)C1 2219106478 KYJBXPNULSKJEP-SNVBAGLBSA-N 310.199 3.366 10 10 DGCE CN(c1ccc(CN)c(Br)c1F)[C@@H]1C[C@@H]2C[C@@H]2C1 2222654193 GQYWDIBUIUKFMT-URLYPYJESA-N 313.214 3.282 10 10 DGCE Cc1cc(S(=O)(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])sc1Cl 2225798517 JKLBPCDYLMCVHR-HTQZYQBOSA-N 320.827 3.220 10 10 DGCE C[C@H](NC(=O)c1cocc1Br)c1ccccc1O 2258098885 RZNYFNDJJMFNDM-QMMMGPOBSA-N 310.147 3.239 10 10 DGCE CO[C@H](CSc1ncc(C[C@H](C)N)s1)C1CCCC1 2268685955 ZKDAISZBOFMCER-GXFFZTMASA-N 300.493 3.330 10 10 DGCE Cc1ccc([C@H](C)CNC(=O)C=Cc2ccc(O)c(O)c2)cc1 2308001484 MUKGVNBFQXGAJI-CQSZACIVSA-N 311.381 3.339 10 10 DGCE O=C1C(=Cc2ccc(F)nc2)SC(=S)N1c1cccnc1 2310156278 LXPDNSNOCXFCHQ-UHFFFAOYSA-N 317.370 3.022 10 10 DGCE CN(C[C@@H]1CCC1(F)F)c1ccc(CO)cc1Br 2313720885 DUWHMKSKCXBTGS-JTQLQIEISA-N 320.177 3.423 10 10 DGCE Cc1ccc(CNCc2cnoc2C)c(O)c1Br 2327800474 LKXOPXQPTOVBTN-UHFFFAOYSA-N 311.179 3.049 10 10 DGCE CCN(CC)CCNC(=O)c1ccc(N=NN(CC)CC)cc1 2330149421 DYRUEFAUBRISJX-UHFFFAOYSA-N 319.453 3.099 10 10 DGCE CCN1N=C(c2ccccc2)C(=Cc2ccc(C(=O)O)cc2)C1=O 2332139499 NLEPKMPAOJJXIJ-UHFFFAOYSA-N 320.348 3.035 10 10 DGCE Cc1cc(Br)c(CN(C)c2ccc(CN)cc2)cn1 2337784789 KGSXAXMPWFLETN-UHFFFAOYSA-N 320.234 3.248 10 10 DGCE CSc1ncc(CN[C@H](C)[C@@H]2C[C@H](C(=O)O)C2(C)C)s1 2359413123 FVLUMTXWIFJYLQ-DVVUODLYSA-N 314.476 3.090 10 10 DGCE CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(C)o1 85948 ISQIOPLXWZUGJX-OQLLNIDSSA-N 310.309 3.092 10 10 DGCE CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1ccc(O)c(O)c1 6814581 PFWMSCXBJMOTAM-OQLLNIDSSA-N 308.337 3.212 10 10 DGCE CC(C)N(Cc1cccs1)C(=O)COc1ccc(N)cc1 49025730 MWWDPXSICUZYMQ-UHFFFAOYSA-N 304.415 3.146 10 10 DGCE CCc1ccc(CN2CCN(c3ccc(N)cc3)CC2)s1 57469995 LTHFJFJKEASPOR-UHFFFAOYSA-N 301.459 3.215 10 10 DGCE CN(C)c1ccc(CNC(=O)NC[C@H]2C[C@H]2c2ccccc2)cc1 111424014 BRKUAKNYEJLLKA-MJGOQNOKSA-N 323.440 3.356 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(O)c1C 126065018 NLWVGJOTZXXGHU-UHFFFAOYSA-N 312.413 3.429 10 10 DGCE COc1ccc2ccccc2c1CNC(=O)Cc1ccc(N)cc1 151118271 RXJGDOQIMHMJMI-UHFFFAOYSA-N 320.392 3.290 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)Cc1cnn2ccccc12 179491344 WDEOVIHXHAKJOI-UHFFFAOYSA-N 308.429 3.422 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H]1CCNCc1ccccc1O 227639715 WAPOOMKITVNCHB-OAHLLOKOSA-N 320.433 3.271 10 10 DGCE CCN(C)c1ccc([C@H](C)N[C@H]2Cc3ccccc3[C@@H]2O)cc1 247126069 APFGAUWTOHXDKY-GKCIPKSASA-N 310.441 3.452 10 10 DGCE CCN(CC)c1ccc(CN[C@@H]2C[C@@H]3OCCC[C@H]32)cc1F 250125629 WDEGRKAXSSNZKU-LESCRADOSA-N 306.425 3.329 10 10 DGCE Cc1cc(Cl)cc(CN[C@]2(CO)CCc3ccccc32)c1O 305787156 SDRPSOSVKCXDSW-SFHVURJKSA-N 317.816 3.278 10 10 DGCE Clc1ccc(C2=CCN(c3cncc(Cl)n3)CC2)cn1 362032403 LSUMOGVJWOQHET-UHFFFAOYSA-N 307.184 3.472 10 10 DGCE C[C@@H](N)c1ccc(N2CC[C@H](OCc3ccccc3)C2)cc1O 384110360 IAWMLUVFPFQDJC-PBHICJAKSA-N 312.413 3.207 10 10 DGCE c1ccc2c(c1)CCN2CCCNCc1ccc2c(c1)CCO2 393567476 LNUBHKYVLJMBAP-UHFFFAOYSA-N 308.425 3.164 10 10 DGCE COc1ccc(O)c(CN[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@H]32)c1 529639189 DJCFFNKEXGOUAT-CGTJXYLNSA-N 315.800 3.482 10 10 DGCE C[C@H]1CC(C)(C)C[C@@](CO)(NCc2ccc3c(c2)CCO3)C1 740008158 XGJFJNXGIAHVOI-LIRRHRJNSA-N 303.446 3.288 10 10 DGCE CCCN1CCC(CN[C@H](C)c2cc([N+](=O)[O-])ccc2O)CC1 756535930 SQMMYUUYGYOKQZ-CYBMUJFWSA-N 321.421 3.073 10 10 DGCE C/C=C\C[C@H](NCc1cc(Cl)cc(F)c1O)C(=O)OCC 763360452 DPQACLADJYLRIE-DXTPNHAXSA-N 315.772 3.172 10 10 DGCE C[C@H](NCc1cc(-c2cccnc2)n[nH]1)c1ccc(N(C)C)cc1 775361699 DQNYTEKXBKLJCC-AWEZNQCLSA-N 321.428 3.389 10 10 DGCE CCOc1ccc(CNCc2cc(F)ccc2OC)c(O)c1 778186209 QJMYLSBKAKSGPO-UHFFFAOYSA-N 305.349 3.228 10 10 DGCE CCOC(=O)[C@@H]1CC[C@H](N[C@H](C)c2c(C)cc(C)cc2O)C1 788800841 IORSGGJQZALHIP-KFWWJZLASA-N 305.418 3.391 10 10 DGCE CCN(CC)c1ccc(CN(C)Cc2ncnn2C(C)C)cc1 789289591 ODCSSCZRFPQWJY-UHFFFAOYSA-N 315.465 3.337 10 10 DGCE COc1nccc(CN(c2ccc(OC)c(F)c2)C(C)C)n1 828267663 LANUDOMKKAXWJM-UHFFFAOYSA-N 305.353 3.048 10 10 DGCE COC[C@](C)(O)CCN[C@@H](C)c1ccc(N2CCCCC2)cc1 834843751 KGWAXMWHEPOOON-QFBILLFUSA-N 320.477 3.115 10 10 DGCE COC(=O)[C@@H](C)N(C/C=C/c1ccc(N(C)C)cc1)C1CCC1 835050365 PHCQPIFTIOLXCE-LQYUOIDQSA-N 316.445 3.182 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)CC(F)(F)F)c1 837486350 XHFFDQGWDAQOJT-BDAKNGLRSA-N 305.296 3.167 10 10 DGCE Cc1cc(O)c(CNC[C@H](O)c2ccccc2C)c(Cl)c1 840896783 NUVOVNJYHRDVIE-KRWDZBQOSA-N 305.805 3.486 10 10 DGCE C[C@H](O)[C@@H](NCc1ccc(N(C)C)cc1)c1ccccc1F 846015190 BTCGZRIRCPIUIN-SCLBCKFNSA-N 302.393 3.103 10 10 DGCE COC[C@H](N[C@@H](C)c1ccc(C)c(C)c1O)C1CCOCC1 850494673 VYEUIFUKOYJGRN-YOEHRIQHSA-N 307.434 3.101 10 10 DGCE C[C@H](NCC12CC(CN1)C2)c1ccc(N2CCCCCC2)cc1 854227787 QMQXLSOOKLVMOF-VXESANQCSA-N 313.489 3.470 10 10 DGCE COc1cc(N[C@H](C)c2cc(F)cc(F)c2O)cnc1OC 858482896 VYPGBJOWLKRQDI-MRVPVSSYSA-N 310.300 3.256 10 10 DGCE Clc1cnc(SC[C@@H]2CC3(CCOCC3)CO2)s1 865371670 GWWCQLJJRCMXCF-VIFPVBQESA-N 305.852 3.474 10 10 DGCE C[C@@H](NC(=O)NC[C@@H]1CC12CCSCC2)c1ccccc1O 868715080 JJCBCHWGANBPNX-OLZOCXBDSA-N 320.458 3.286 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@]2(C)CCCC[C@@H]2C(=O)O)cc1 901823218 NMQVCZIQPVVOTK-WAQVGJNASA-N 316.445 3.389 10 10 DGCE Cc1ccc(C(=O)NCc2c(O)cccc2F)c(C(C)C)n1 928705887 MHGYUFPKYMZTBR-UHFFFAOYSA-N 302.349 3.288 10 10 DGCE Cc1cc(CC(=O)Nc2cccnn2)c(C)n1-c1ccccc1 1265339623 PCYDNRLXVMXVMA-UHFFFAOYSA-N 306.369 3.065 10 10 DGCE O=C(c1cc(F)c(F)c(F)c1F)N1Cc2cccc(O)c2C1 1455035768 CCRDTCNLNRLZNR-UHFFFAOYSA-N 311.234 3.105 10 10 DGCE CCc1cccc(C(=O)NCc2ccc(N3CCCC3)cc2)c1O 1540812212 ZNXZCRHIGLEPDR-UHFFFAOYSA-N 324.424 3.485 10 10 DGCE CCOC(=O)[C@@H]1C[C@H]1CN1CCCCc2cc(OC)ccc21 1559659569 ROLAJGXIERVADR-GOEBONIOSA-N 303.402 3.037 10 10 DGCE COC(=O)[C@]1(NCc2ccc(N(C)C)cc2)CCCC(C)(C)C1 1560009804 FIFXQTOUYPBUDS-IBGZPJMESA-N 318.461 3.354 10 10 DGCE COc1ccc(CNC[C@@H](C)NC(=O)[C@@H](C)C2CCC2)cc1C 1568999678 WOIKFANBSHXFRF-CABCVRRESA-N 318.461 3.034 10 10 DGCE C[C@H](Cc1ccco1)C(=O)NCc1ccc2cccnc2c1O 1570533434 BJPIYANWJVHWCS-GFCCVEGCSA-N 310.353 3.028 10 10 DGCE CCN(C(=O)/C=C(/C)c1cnccn1)c1ccc2[nH]ccc2c1 1585233398 BJRJIRGXJZXQFJ-RAXLEYEMSA-N 306.369 3.414 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccsc1Cl 1611431104 KHKWDLYHIQRRGA-MRVPVSSYSA-N 311.790 3.174 10 10 DGCE C[C@H](Sc1ccc(F)cc1)C(=O)NCc1cccc(O)c1O 1644711143 UIQMJFJXFNOERS-JTQLQIEISA-N 321.373 3.034 10 10 DGCE O=C(NCc1cccc(Cl)c1O)NC[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21 1684804369 VXFUYPRPMZAOMK-QNSTZXKLSA-N 320.820 3.137 10 10 DGCE CC(C)OC(=O)c1cccc(/N=N/N(C)C2CCN(C)CC2)c1 1860486717 MNLBGRRMVHFAST-VHEBQXMUSA-N 318.421 3.277 10 10 DGCE COc1ccc(C2=NN(C)C(=O)/C2=C/c2ccc(C)cc2)cc1 1865665724 IOPAHVLJSQFLSB-SFQUDFHCSA-N 306.365 3.263 10 10 DGCE CN(c1ccc(CN)cc1F)[C@@H]1CC[C@@H]1OCc1ccccc1 1939611088 LJJHKYZQHNVYON-MOPGFXCFSA-N 314.404 3.468 10 10 DGCE CC1(C)[C@@H](NCc2c(O)cccc2Br)C1(F)F 1948209590 NRDHDEIXNZFMSD-SNVBAGLBSA-N 306.150 3.288 10 10 DGCE CC(C)(C)OC(=O)N1CCC(=O)C[C@H]1c1c(O)cccc1F 1952064155 IWOMIFNDODSEIP-LBPRGKRZSA-N 309.337 3.172 10 10 DGCE C[C@H]1CCN(C(=O)OC(C)(C)C)CCN1c1ccc(N)cc1 1959554087 RGDVDAGQZCFQRO-ZDUSSCGKSA-N 305.422 3.105 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CC[C@@H]2CCNC[C@@H]2C1 1967988761 UBGBRLQADBXENV-CMPLNLGQSA-N 315.244 3.130 10 10 DGCE Oc1c(Br)cc(Cl)cc1CN[C@H]1CC1(F)F 1969322838 KFAAAPLDTWIGJK-QMMMGPOBSA-N 312.541 3.305 10 10 DGCE CC1(C)CN(C(=O)OC(C)(C)C)CCN(c2ccc(N)cc2)C1 1977942771 YMMZDGUNWTVWNW-UHFFFAOYSA-N 319.449 3.352 10 10 DGCE CN(C)c1ccc([C@H](O)c2ncc(Br)s2)cc1 1999507952 WQHDFMZFZZMVAS-NSHDSACASA-N 313.220 3.053 10 10 DGCE [N-]=[N+]=NCC1(CNC(=O)c2cscc2Br)CC1 2006020793 LYXBYCFTKBGGCR-UHFFFAOYSA-N 315.196 3.331 10 10 DGCE C[C@@H]1COCC[C@@H]1N(C)Cc1ccc(Br)cc1O 2031921344 SQRGSDUKTAXOPO-MFKMUULPSA-N 314.223 3.012 10 10 DGCE Cc1cc(N(C)Cc2cc(Br)co2)ccc1CO 2050634201 FVSQHGMAUUNVBA-UHFFFAOYSA-N 310.191 3.479 10 10 DGCE CCC=C(C)C(=O)NCc1ccc(N2CCSCC2)cc1 2053624830 UOWNQCKHWVJDCP-UHFFFAOYSA-N 304.459 3.212 10 10 DGCE CNCc1cc(CC(C)C)nn1[C@@H](C)c1c(O)cccc1F 2070052519 ZWVOFEIXZZYUNQ-LBPRGKRZSA-N 305.397 3.255 10 10 DGCE C[C@@H](c1ccccc1O)N(C)Cc1cc(Br)no1 2072452361 GHLMLTSDHZRNCK-VIFPVBQESA-N 311.179 3.336 10 10 DGCE C[C@@H]1C[C@H]2CN(c3cc(Br)c(CN)cc3F)C[C@H]12 2085513783 OIRRKXFKEGHTKA-DVVUODLYSA-N 313.214 3.139 10 10 DGCE O=C(O)c1cccnc1Sc1ncc(C(F)(F)F)s1 2099852602 GAVNEXQGINIYMC-UHFFFAOYSA-N 306.290 3.406 10 10 DGCE CCN1CCc2cc([C@H](NN)c3sccc3Cl)ccc21 2163156893 WEQFGBPMNCMWKX-AWEZNQCLSA-N 307.850 3.337 10 10 DGCE CN(C)c1ccc(CN[C@@H]2CCCC3(OCCO3)C2(C)C)cc1 2173013919 JCKARYROSFDIQL-QGZVFWFLSA-N 318.461 3.164 10 10 DGCE CC[C@@H]1C[C@H](Sc2nccs2)C[C@](CO)(NC2CC2)C1 2175441781 KNCVPHBZHWMYIV-OSAQELSMSA-N 312.504 3.297 10 10 DGCE COCCNCc1ccc(N(C)[C@@H](C)C(F)F)c(Cl)c1 2178791232 MOTOZCWXWVMUKB-JTQLQIEISA-N 306.784 3.166 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@H]1NC(=O)c1snc(Cl)c1Cl 2218746650 XUENQRLATYTCPE-UHNVWZDZSA-N 306.178 3.411 10 10 DGCE Cc1ccc([C@H](C)Nc2cnncc2Br)c(O)c1 2264152679 ZXPAAKMVOXRFDE-VIFPVBQESA-N 308.179 3.426 10 10 DGCE COCCN1C(=O)C(=Cc2c[nH]c3ccccc23)SC1=S 2314656337 KEGPIKIGMWOJBC-UHFFFAOYSA-N 318.423 3.016 10 10 DGCE Cc1cc(C(=O)O)c(C)n1-c1cc(O)ccc1Br 2321090123 WSCLFFNFFJCECA-UHFFFAOYSA-N 310.147 3.260 10 10 DGCE CC(C)N1C(=O)C(=Cc2ccc3c(c2)OCCO3)SC1=S 2323701981 RGYNDDCOFKCDJO-UHFFFAOYSA-N 321.423 3.067 10 10 DGCE Nc1ccc(CC(=O)N[C@H]2CCCC[C@@H]2C(F)(F)F)cc1 37044272 QHQYNKGQHPAODU-STQMWFEESA-N 300.324 3.049 10 10 DGCE CC[C@H](C)[C@H](NCc1cc(Cl)cc(Cl)c1O)C(=O)OC 37103116 UIGDVFOJCVGSRB-UFBFGSQYSA-N 320.216 3.376 10 10 DGCE CCN(CCOC)c1ccc([C@@H](C)NC)cc1Br 61697046 PDLAQDHQJXWSRT-LLVKDONJSA-N 315.255 3.202 10 10 DGCE CC[C@H](C(=O)Nc1ccc(N)cc1)N1CCc2ccccc2C1 62460738 XZDSCWMKXOMQOQ-GOSISDBHSA-N 309.413 3.044 10 10 DGCE C[C@H](NCc1ccnn1C)c1ccc(N2CCCCC2)c(F)c1 152177646 XOVFQALJZQMSBG-AWEZNQCLSA-N 316.424 3.400 10 10 DGCE COc1ccc(N(CCCNC(C)=O)Cc2cccs2)cc1 157310959 AETJUROWIPIOEK-UHFFFAOYSA-N 318.442 3.290 10 10 DGCE CCCOc1ccc(CN2CCC[C@H]2Cn2ccnc2)c(O)c1 188415774 VLGVCSMRSIZZNR-INIZCTEOSA-N 315.417 3.042 10 10 DGCE C[C@@H]1CCCN(c2ccc(CN)c(Br)c2F)C1 231838687 LBKVNXQEEAUGFN-SECBINFHSA-N 301.203 3.283 10 10 DGCE C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@@]1(C)CN 311378311 AFVBVKFNZQVRSU-YMTOWFKASA-N 303.233 3.116 10 10 DGCE C[C@H](N[C@H]1CCc2cccc(O)c21)c1nnc2n1CCCCC2 323921083 VDAUIUILEZNNII-JSGCOSHPSA-N 312.417 3.048 10 10 DGCE N#Cc1ccc(NCc2ccc(O)cc2O)cc1Br 388150838 QJBRTGZBEBEJLP-UHFFFAOYSA-N 319.158 3.344 10 10 DGCE COc1ccc(CNC(C)(C)COCc2ccccc2)c(O)c1 389939116 AOQUCEFXENNIDB-UHFFFAOYSA-N 315.413 3.486 10 10 DGCE CO[C@]1(CNCc2cc(Cl)cc(Cl)c2O)CCSC1 719303654 SQGLDQZWPDJZAL-ZDUSSCGKSA-N 322.257 3.311 10 10 DGCE CCOc1ccc(CN[C@@H](c2cnn(C)c2)C(C)(C)C)c(O)c1 748246809 PRUNIMSUGWCFEW-KRWDZBQOSA-N 317.433 3.401 10 10 DGCE COc1cc(CN(C)[C@H]2C[C@@H](OC)C2)c(O)c(C(C)(C)C)c1 795673628 HHLVAOXSOAYPAP-OTVXOJSOSA-N 307.434 3.308 10 10 DGCE c1cc2c(cc1CN[C@@H]1CCC[C@@H]([C@H]3CCOC3)C1)CCO2 798494812 SXVKHDBKGBFYKI-BPQIPLTHSA-N 301.430 3.306 10 10 DGCE Cc1cc(Cl)cc([C@H](C)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c1O 808706551 MRSOKLBOHNJPGW-DLXBUUHESA-N 322.836 3.014 10 10 DGCE Cc1cnc(CCCC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)o1 828861437 PICHRMZCMKJBSD-AWEZNQCLSA-N 315.417 3.249 10 10 DGCE CCN(CC)C[C@@H]1CCN(C/C=C\c2ccc(N(C)C)cc2)C1 835026219 QODGNLHRLPRZRS-FQQSSWHASA-N 315.505 3.430 10 10 DGCE CN1CCC(CCNC/C=C/c2ccc(N(C)C)cc2)CC1 835038862 UQZYDYJYHNWCRS-SNAWJCMRSA-N 301.478 3.087 10 10 DGCE O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@H]1C[C@H]1C1CC1 836243935 ITRKDWLGVSQOFR-WMZOPIPTSA-N 313.445 3.132 10 10 DGCE CCOc1cccc(CN[C@@H](c2ccccc2)[C@H](C)O)c1O 850421135 VWLXHRJKXVCUQT-SUMWQHHRSA-N 301.386 3.003 10 10 DGCE CC(C)[C@H]1CC[C@H]1NCc1ccc(N2CCC(O)CC2)cc1 850567969 MXIUSVJEZKAUJF-RTBURBONSA-N 302.462 3.172 10 10 DGCE C/C=C\CN[C@@H](C)c1cc(Br)cc(OC)c1O 858536022 DAJSVQARBPQWCG-WBSSQXGSSA-N 300.196 3.390 10 10 DGCE COCCC1(NC(=O)c2cc3cc(O)c(O)cc3s2)CCC1 907893082 FINSRQCCQCTISZ-UHFFFAOYSA-N 321.398 3.002 10 10 DGCE C[C@H](NC(=O)c1cccc(F)c1O)c1ccc(N(C)C)cc1 1128136421 RPVJXVZZXMBNEZ-NSHDSACASA-N 302.349 3.088 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2cccn2Cc2ccccc2)c1 1147957295 PSCSLNZXFFJRHY-UHFFFAOYSA-N 320.392 3.480 10 10 DGCE Cc1cc(CNCC2(C3(O)CCC3)CCC2)ccc1N(C)C 1176053585 XZQPEZBFUOMLGZ-UHFFFAOYSA-N 302.462 3.236 10 10 DGCE CCc1cc(NCc2ccc(N(C)C)c(F)c2)nc(CC)n1 1185089406 WTVHFLISNJQLFD-UHFFFAOYSA-N 302.397 3.419 10 10 DGCE Oc1cccc(F)c1CNc1ncc(Br)cc1F 1187678084 TYNARHCIAAYFTD-UHFFFAOYSA-N 315.117 3.440 10 10 DGCE C[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@@H]1c1ccccc1 1303504817 HRVNDVHHHBNPDW-DJJJIMSYSA-N 311.381 3.250 10 10 DGCE CN(C)c1ccc(CN(CC[C@H]2COC(C)(C)O2)C2CC2)cc1 1473114799 HQCZPBNQGXJHLT-SFHVURJKSA-N 318.461 3.259 10 10 DGCE CCn1c(C(=O)NCc2ccc(O)cc2O)cc2ccccc21 1630301881 LGKTVDPUXKJYFA-UHFFFAOYSA-N 310.353 3.002 10 10 DGCE O=C(Cc1ccc(-n2cccc2)cc1)NCc1c(O)cccc1F 1635360387 LFDGIRRQAPTWJF-UHFFFAOYSA-N 324.355 3.181 10 10 DGCE O=C(C/C=C/c1ccc(F)cc1)NCc1c(O)cccc1F 1635360399 LPOAIGJMPBBUEO-HNQUOIGGSA-N 303.308 3.390 10 10 DGCE C[C@@H](C(=O)NCc1c(O)cccc1O)c1ccc(Cl)cc1 1647289941 MASMGFFIAOHZIJ-SNVBAGLBSA-N 305.761 3.171 10 10 DGCE Cc1ncc(C(=O)NCc2ccccc2O)c(Cl)c1Cl 1654256122 NXCFGMHBESWFAB-UHFFFAOYSA-N 311.168 3.332 10 10 DGCE [N-]=[N+]=N[C@H]1CCN(C(=O)c2ccc(Br)c(F)c2)C1 1912150528 UYDFLZVNRMVFSL-QMMMGPOBSA-N 313.130 3.113 10 10 DGCE CCN[C@@H](c1ccccc1O)[C@@H]1CCCN1C(=O)OC(C)(C)C 1936986772 LUNWUPNPGLXONV-HOCLYGCPSA-N 320.433 3.442 10 10 DGCE CCN(CCN=[N+]=[N-])CC1CCN(C(=O)OC(C)(C)C)CC1 1962299156 KWLGDUSMQYRLJF-UHFFFAOYSA-N 311.430 3.266 10 10 DGCE CC(C)(C)OC(=O)N1CC=C(C[C@H](N)c2ccccc2O)CC1 1985327605 IWLFFXPZKFOBMR-HNNXBMFYSA-N 318.417 3.349 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(N)cc2)CC2(CC2)C1 1992521089 XFSBZRJKLMEFJY-HNNXBMFYSA-N 318.417 3.437 10 10 DGCE Oc1cccc(Br)c1CNC[C@H]1C[C@H]1C(F)F 1997384392 YMUATYVNTGXRAW-HTQZYQBOSA-N 306.150 3.146 10 10 DGCE O=C(c1cccc2c1NCC2)c1sncc1Br 2000190506 OMCPPOCAEMHNFX-UHFFFAOYSA-N 309.188 3.105 10 10 DGCE Nc1cccc(Br)c1N[C@H]1CCCC[C@@H]1CCO 2030113076 KDMYIHWDOXBPRP-MFKMUULPSA-N 313.239 3.384 10 10 DGCE C[C@H]1CCOC[C@H]1N(C)Cc1ccc(Br)cc1O 2035126823 BARRHNYXTOWVTB-GXFFZTMASA-N 314.223 3.012 10 10 DGCE CN(Cc1cccc(Br)c1O)[C@H]1CCOC1(C)C 2036282171 XDIBCFNOZIKBDA-LBPRGKRZSA-N 314.223 3.154 10 10 DGCE CC(C)OC1CN(c2ccc([C@@H](C)O)cc2Br)C1 2040861466 KHFLMEYNZQZLRX-SNVBAGLBSA-N 314.223 3.116 10 10 DGCE OCc1ccc(N2CC[C@]23C[C@@H](CF)C3)c(Br)c1 2061797169 QKTHYHCYXMDPFR-YEORSEQZSA-N 314.198 3.270 10 10 DGCE CN[C@@H]1CCc2cc(N3CCC=C(Br)C3)ccc21 2065071862 ONVBFKVMCBMLLS-OAHLLOKOSA-N 307.235 3.382 10 10 DGCE Oc1c(Br)cccc1CNC[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32 2070857055 CZLMKGHWHOYQBD-XJBAAKRRSA-N 308.219 3.146 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@](C)(Br)[C@](C)(F)C2)cc1 2084856236 MHTSCFLNRSVBCM-DDTOSNHZSA-N 316.214 3.442 10 10 DGCE COc1cc(Cl)cc(CN[C@@H](C)[C@H]2CCSC2)c1O 2089896793 FEEGVYPVPUGBPL-UWVGGRQHSA-N 301.839 3.285 10 10 DGCE CCCN[C@@H](CC1OCCO1)c1ccc(N2CCCC2)cc1 2106827781 GUXNLCMOFIGECK-KRWDZBQOSA-N 304.434 3.091 10 10 DGCE C[C@H](O)c1ccc(N(C)CCn2cccc2)cc1Br 2115196282 AGQDJHMDHNNRBP-LBPRGKRZSA-N 323.234 3.440 10 10 DGCE CN[C@@H](c1cscc1Cl)[C@@H](O)c1ccc(N(C)C)cc1 2148340932 VGVHGZMIINKPIL-GJZGRUSLSA-N 310.850 3.462 10 10 DGCE CN(Cc1ccc(N)cc1)C(=O)c1ncc(Cl)cc1Cl 2163420882 FCMQLPWODJZCFB-UHFFFAOYSA-N 310.184 3.243 10 10 DGCE NCc1cc(F)c(N2C[C@H]3CC(F)(F)C[C@H]3C2)cc1Cl 2182841237 VJYDELFCAHZOQJ-AOOOYVTPSA-N 304.743 3.419 10 10 DGCE NCc1cc(F)c(N2CCC(OC(F)F)CC2)cc1Cl 2238858998 TYKODXDMHBKEJV-UHFFFAOYSA-N 308.731 3.146 10 10 DGCE CCC[C@@H](CCN)CCC(=O)NCc1cnc(SC)s1 2284636748 LPOAIKWZWDMWJH-LLVKDONJSA-N 315.508 3.027 10 10 DGCE CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1ccccn1 2294474328 CHSSBLAJUMFFMI-UHFFFAOYSA-N 310.332 3.329 10 10 DGCE Cc1ccccc1C=C1SC(=S)N(CCCCCO)C1=O 2323791946 KIEJPBKHDUJGFC-UHFFFAOYSA-N 321.467 3.359 10 10 DGCE CC[C@H]1C[C@@H]1C(=O)NCc1ccc(C)c(Br)c1O 2327594789 BXYVDHPLZFCUQM-ONGXEEELSA-N 312.207 3.125 10 10 DGCE Cc1ccnc(NCc2ccc(C)c(Br)c2O)n1 2327800063 FMXOJFNUIPRCFU-UHFFFAOYSA-N 308.179 3.174 10 10 DGCE CCN1N=C(c2ccc(OC)cc2)C(=Cc2ccc(O)cc2)C1=O 2332099656 REHNUEKPPVXVJY-UHFFFAOYSA-N 322.364 3.051 10 10 DGCE CC[C@H]1CN(c2ccc([C@@H](C)N)cc2Br)CCO1 61695242 FDBADKGHPBHIBJ-PWSUYJOCSA-N 313.239 3.084 10 10 DGCE CCCc1nnsc1C(=O)N(C)[C@H](C)c1ccccc1O 87446513 XOXFEODBFQJMKB-SNVBAGLBSA-N 305.403 3.029 10 10 DGCE COC(=O)[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2O)C1 123231252 GGAUTPSFKWCKEC-SECBINFHSA-N 318.200 3.084 10 10 DGCE CCCN(CCN(C)C)Cc1cc(Cl)cc(Cl)c1O 133161185 UGNSIUVFNYTWOF-UHFFFAOYSA-N 305.249 3.473 10 10 DGCE CC(=O)c1cc(F)cc(CN(C)CCc2ncc(C)s2)c1O 157642401 GZVIRIRYNQRBTJ-UHFFFAOYSA-N 322.405 3.173 10 10 DGCE NNc1cc(Sc2nccs2)nc(-c2ccccc2)n1 159358955 MMPQEXNIBJTDJP-UHFFFAOYSA-N 301.400 3.037 10 10 DGCE Nc1ccc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)cc1 160447250 VEHBOFMWNPQBBL-UHFFFAOYSA-N 321.336 3.366 10 10 DGCE CC(C)NCc1ccc(N(C)C[C@@H]2CCCN2C)c(Cl)c1 164146131 IWKASDHMXLMWDX-HNNXBMFYSA-N 309.885 3.368 10 10 DGCE O=C(C[C@H]1CCCc2ccccc21)NCc1ccc(O)c(O)c1 178446033 DIDKQRSLVREFGP-OAHLLOKOSA-N 311.381 3.224 10 10 DGCE Cc1ccc(CCC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 186384149 PMJYNBYTORZOQO-AWEZNQCLSA-N 313.397 3.086 10 10 DGCE CN1CCc2cc(CNCc3ccc(Br)o3)ccc21 189505092 SNQCPEIYNLNPNC-UHFFFAOYSA-N 321.218 3.324 10 10 DGCE CSCC[C@@H](C)N(C)c1ccc(CN)c(Br)c1 228155870 FWHXCZBYSUZTCM-SNVBAGLBSA-N 317.296 3.486 10 10 DGCE CN(C)c1ccc([C@H](N)[C@@H]2CCO[C@@]3(CCSC3)C2)cc1 229214117 JNJWFDQADUWDGL-PVAVHDDUSA-N 306.475 3.055 10 10 DGCE C[C@@H]1CN([C@H](C)c2cc(Br)ccc2O)CCCO1 251733478 KKTNERXIYQDDEH-GHMZBOCLSA-N 314.223 3.327 10 10 DGCE NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1O)N2 253572797 QPKZKAAFIFBJDI-VFVRVIDISA-N 306.365 3.318 10 10 DGCE COc1ccc(CNCc2ccnc(OC(F)F)c2)cc1C 284098322 RXNDBXYCFFUHIY-UHFFFAOYSA-N 308.328 3.290 10 10 DGCE C[C@H](N[C@H](C)[C@@H](O)c1ccccc1)c1cc([N+](=O)[O-])ccc1O 290187963 FUKXVARPJDMOPT-XWCIJXRUSA-N 316.357 3.073 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@H]2COc3ccc(F)cc3C2)c1 290413185 UGMRSSGSYMMHJS-SMDDNHRTSA-N 317.360 3.194 10 10 DGCE CCCN1CC[C@@H](CNCc2cc(Cl)c(F)cc2O)C1 293506764 AHEAZXFAQQILFP-NSHDSACASA-N 300.805 3.006 10 10 DGCE COc1ccc2c(O)csc2c1I 306916194 WQBPJPYMRNOYQF-UHFFFAOYSA-N 306.124 3.220 10 10 DGCE CC[C@H](N)Cc1sc(OC)nc1Sc1nccs1 311128151 IORKFOIQJITCNF-ZETCQYMHSA-N 301.462 3.039 10 10 DGCE Cc1cc(C)c(S(=O)(=O)Nc2ccc(O)c(F)c2)s1 389276460 JLEVBVZCJSSFOM-UHFFFAOYSA-N 301.364 3.010 10 10 DGCE C[C@H]1CN(C(=O)Nc2ccc(N)cc2)CCN1Cc1ccccc1 396335272 DENAGHKFVPVCST-HNNXBMFYSA-N 324.428 3.007 10 10 DGCE COc1cc(Cl)cc(CN[C@@H]2CC[C@H](C)SC2)c1O 689560645 CQKFVMXMUCTYOD-JOYOIKCWSA-N 301.839 3.428 10 10 DGCE [N-]=[N+]=NCCCNC(=O)/C=C\c1ccc(Br)cc1 701301496 QGFJNRYDLOYLBR-DAXSKMNVSA-N 309.167 3.279 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCC[C@@H]2CNCC[C@H]21 715023116 SDGVNTXCXFIRPI-QMTHXVAHSA-N 315.244 3.273 10 10 DGCE CC1(NCc2cccc(Br)c2O)CC(F)(F)C1 720934695 JXWBNYMZBDPYEP-UHFFFAOYSA-N 306.150 3.432 10 10 DGCE Cc1nn(C)c(C)c1CCN[C@@H]1C[C@H](C)c2c(F)ccc(O)c21 756378453 DTIYFVQZWKAVLV-ZUZCIYMTSA-N 317.408 3.262 10 10 DGCE CC[S@@](=O)CCN[C@H](C)c1ccc(N2CCCCCC2)cc1 765946440 RDZBUQFRGQNUED-OPAMFIHVSA-N 322.518 3.486 10 10 DGCE O=C(c1cc(O)cs1)N1CC=C(c2ccc(Cl)nc2)CC1 774363858 YBUWDUWPNYWEIY-UHFFFAOYSA-N 320.801 3.432 10 10 DGCE C[C@H]1CCN(Cc2cccc(Br)c2O)C[C@H]1F 779151533 ZOPNPZIKCUKHLY-JOYOIKCWSA-N 302.187 3.335 10 10 DGCE CCOC[C@H](C)NC(=O)c1sccc1-n1c(C)ccc1C 779252443 IPMJPNNTQOEUFD-NSHDSACASA-N 306.431 3.310 10 10 DGCE CN(C)c1ccc(CNC[C@@]2(O)CCCC(C)(C)C2)cc1F 782534812 IIIGOEKTBLMDFY-GOSISDBHSA-N 308.441 3.313 10 10 DGCE CCOc1ccc(CN[C@H](C)c2ccncc2OC)c(O)c1 782543987 BZLKYHJDMSHDAC-GFCCVEGCSA-N 302.374 3.045 10 10 DGCE Cc1cc(CCNC(=O)N[C@@H](C)CF)c(C)n1-c1ccccc1 814423091 VTCJOEVRKKXKGI-ZDUSSCGKSA-N 317.408 3.294 10 10 DGCE CN1CCCc2cc(CNC(=O)N[C@@H]3CC[C@@H]4C[C@@H]4C3)ccc21 826019518 HNOZNRQWDSHBKF-DJIMGWMZSA-N 313.445 3.057 10 10 DGCE CCN(CC)c1ccc(CN2CC[C@@H]3COC[C@@H]3C2)cc1F 827596226 WVBMVRSVMUGGJI-CVEARBPZSA-N 306.425 3.140 10 10 DGCE Cc1cc(CC(=O)N2CC(C(F)F)C2)c(C)n1-c1ccccc1 830392480 FLYHDAOTRSQWJF-UHFFFAOYSA-N 318.367 3.360 10 10 DGCE CN(C)c1ccc(/C=C\CN2CC(C3CCOCC3)C2)cc1 835049063 FCNVJOBEEYSLMX-ARJAWSKDSA-N 300.446 3.124 10 10 DGCE Cc1cc(O)c(CNCCCOC[C@@H]2CCCO2)c(Cl)c1 840874166 XLSXMCWEZPCJLD-ZDUSSCGKSA-N 313.825 3.029 10 10 DGCE COc1cccc([C@@H](C)Nc2cc(C)cc(OCCO)c2)c1O 846167230 URZCXOGRGWHAHV-CYBMUJFWSA-N 317.385 3.253 10 10 DGCE C[C@H](N[C@H](C)[C@](C)(O)c1ccccc1)c1ccc(F)cc1O 846186132 DSIJUMRTTBUIIL-JCGVRSQUSA-N 303.377 3.478 10 10 DGCE Cc1cc(O)c(CN[C@H](C)[C@@H]2C[C@H](C(=O)O)C2(C)C)cc1C 848640333 QBUYKKXGTPCWCK-VHDGCEQUSA-N 305.418 3.234 10 10 DGCE COc1ccc(N(C)Cc2cccc3c2CCNC3)cc1F 852747107 WXBOYQVSAOJEHY-UHFFFAOYSA-N 300.377 3.116 10 10 DGCE COC1CC(CCNCc2c(O)cccc2Br)C1 858188378 UTUFKPBNIXBNRC-UHFFFAOYSA-N 314.223 3.059 10 10 DGCE C[C@H](NC(=O)NCCc1ccc(Cl)nc1)c1ccccc1O 868400561 KKJWPRAZQMFKDP-NSHDSACASA-N 319.792 3.044 10 10 DGCE O=C(O)C[C@H](CNCc1cc(F)cc(F)c1O)C1CCCC1 904026945 QCJLCNNJJYNHKK-LLVKDONJSA-N 313.344 3.041 10 10 DGCE COC(=O)/C=C\c1ccc(Sc2nccs2)c([N+](=O)[O-])c1 919722794 QJYBJANVQCOMJE-HYXAFXHYSA-N 322.367 3.389 10 10 DGCE O=C(N[C@@H]1CCC[C@H](F)C1)c1cc2cc(O)c(O)cc2s1 1119562714 WUCGNKWVGLOEMG-VHSXEESVSA-N 309.362 3.323 10 10 DGCE C[C@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccccc1O 1151892564 SMXWVZFSBBIABL-RYUDHWBXSA-N 303.333 3.176 10 10 DGCE CCC1(CC)[C@@H](NCc2cc(F)cc(C(C)=O)c2O)C[C@H]1OC 1194090026 CRZGKKDMVZPFOB-JKSUJKDBSA-N 323.408 3.417 10 10 DGCE CC1(C)Cc2ccc(C(=O)NCc3c(O)cccc3F)cc2O1 1471975797 HSIHWJXMBVBFAP-UHFFFAOYSA-N 315.344 3.175 10 10 DGCE CCC[C@@H](C)CC(=O)N(C)CCN(C)c1ccc(OC)cc1 1530898378 YXSWMYRKRWCIFY-OAHLLOKOSA-N 306.450 3.416 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@@]23C[C@H]2COC3(C)C)cc1 1532203969 FPEUZMKULFRTMW-JXFKEZNVSA-N 324.424 3.391 10 10 DGCE COc1ccc([C@@H](CO)N=[N+]=[N-])c(NC(=O)OC(C)(C)C)c1 1535980609 SHDFINQXEQHJPJ-GFCCVEGCSA-N 308.338 3.386 10 10 DGCE CC(C)(C)c1ccc(CCNC(=O)c2cccc(O)c2O)cc1 1540780860 VNAPVKCXDHKUGV-UHFFFAOYSA-N 313.397 3.368 10 10 DGCE CC[C@@H](CNC(=O)[C@H]1CC1(C)C)NCc1ccc(OC)c(C)c1 1567956974 ZLPZJJCZEYDBIE-JKSUJKDBSA-N 318.461 3.034 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1 1618413318 GWXIXEKHTBJPTC-UHFFFAOYSA-N 316.748 3.432 10 10 DGCE Cc1cc([C@@H](C)NC(=O)Cc2ccc(O)c(O)c2)c(C)s1 1625413053 WMPXBIGHAFRHCW-SNVBAGLBSA-N 305.399 3.196 10 10 DGCE O=C1C[C@@H](C(=O)NCc2cc(Cl)ccc2O)c2ccccc21 1632223326 IELKTWKDQANSJS-CQSZACIVSA-N 315.756 3.032 10 10 DGCE CCCC[C@](C)(F)C(=O)C(=O)CC(C)(C)CC(=O)OCC 1634943578 ALJAGYZMALLZRQ-INIZCTEOSA-N 302.386 3.413 10 10 DGCE C[C@H](CC(=O)NCc1cc(O)ccc1O)c1cccc(F)c1 1644754509 ZLVUAYCGSABYJP-LLVKDONJSA-N 303.333 3.047 10 10 DGCE O=C(NCc1c(O)cccc1F)[C@H]1CCc2cc(F)ccc21 1652298266 HWXQYPQZPYPGPE-ZDUSSCGKSA-N 303.308 3.017 10 10 DGCE CCOC(=O)N1CCC(N=NNc2ccccc2OC)CC1 1860493466 NVEOSLJRUDQXHB-UHFFFAOYSA-N 306.366 3.095 10 10 DGCE CCCOc1c(/C=C2/C(=O)N(CCC)N=C2C)cccc1OC 1865670232 POHVMKZAFVYEFI-NTCAYCPXSA-N 316.401 3.496 10 10 DGCE COC[C@]1(F)CCN(Cc2cc(Cl)cc(Cl)c2O)C1 1875797418 USYZGKOEKBUMGV-ZDUSSCGKSA-N 308.180 3.259 10 10 DGCE Oc1ccc(CNC2(CCOCc3ccccc3)CC2)c(O)c1 1937181766 LPNWKPQVGCRFAE-UHFFFAOYSA-N 313.397 3.327 10 10 DGCE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1c1ccc(N)cc1O 1953064024 PLASSSWVCNFONQ-LLVKDONJSA-N 314.332 3.292 10 10 DGCE Oc1c(F)cc(Br)cc1CNC[C@@H]1CC[C@@H]2C[C@H]12 1966008563 RSKXIWRRQFRYLB-PTRXPTGYSA-N 314.198 3.430 10 10 DGCE Cc1cc(N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)ccc1CO 2015064913 DRARPSJGSICYJX-NQIIRXRSSA-N 322.452 3.198 10 10 DGCE C[C@@H](O)c1ccc(N2Cc3conc3C2)c(Br)c1 2042310404 LZUSHXBRAYVQOJ-MRVPVSSYSA-N 309.163 3.011 10 10 DGCE Cc1cc(CO)ccc1N(C)Cc1ccc(Br)o1 2050628463 HQJZDHHRMIRJDD-UHFFFAOYSA-N 310.191 3.479 10 10 DGCE CNCc1ccc(N2CCCC[C@H]2CF)c(Br)c1 2051765726 LHFJUDXTPGATND-LBPRGKRZSA-N 315.230 3.497 10 10 DGCE C[C@@H](COC(F)F)NCc1cc(Cl)cc(Cl)c1O 2067267844 JHXVAWQUSUOMAC-LURJTMIESA-N 300.132 3.416 10 10 DGCE Cc1[nH]c(=N[C@H](C)c2ccccc2O)ccc1Br 2072491535 RJXUDAXUGNFMNO-SECBINFHSA-N 307.191 3.453 10 10 DGCE Cc1c(C(F)(F)F)nn(Cc2cc(Cl)ccc2O)c1N 2079785468 AWRFTVCBAJVJRW-UHFFFAOYSA-N 305.687 3.200 10 10 DGCE COc1cccc(O)c1CNc1ccc(C)nc1Br 2125225927 QTWVQYIHEQAJBQ-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE CC(C)CNCc1cc(F)c(N(C)C2CSC2)c(F)c1 2145061652 FZOBIIVAKJLCDS-UHFFFAOYSA-N 300.418 3.262 10 10 DGCE CO[C@H]1CN(c2ccc(CNC(C)C)cc2Cl)C[C@H]1F 2146483476 GCDVHVSRFLLVLX-HIFRSBDPSA-N 300.805 3.011 10 10 DGCE CCCN[C@@H](c1ccccc1O)[C@@H](O)c1scnc1Cl 2148165481 SQDUSWFFTZPVNX-NWDGAFQWSA-N 312.822 3.276 10 10 DGCE CCN[C@@]1(C(=O)O)C[C@@H](Sc2nccs2)CCC1(C)C 2155425737 YOQQJQGJOFNZSN-IINYFYTJSA-N 314.476 3.247 10 10 DGCE CCCNCc1ccc(N2CCO[C@H](CF)C2)c(Cl)c1 2172051849 XNNOQNWOYDSCHK-CYBMUJFWSA-N 300.805 3.014 10 10 DGCE CCCN[C@]1(C(=O)O)CCC[C@H](Sc2nccs2)[C@H]1C 2175812151 XSTGMHXGDSZRNM-UHIISALHSA-N 314.476 3.247 10 10 DGCE CCOC[C@H]1CCCCN1c1cc(Cl)c(CN)cc1F 2177376219 CEELAAKMXMHFAT-GFCCVEGCSA-N 300.805 3.333 10 10 DGCE Cc1c(Cl)cnc(NC(=O)Cc2ccc(N)cc2)c1Cl 2202915812 MTWXLDMWWSREMG-UHFFFAOYSA-N 310.184 3.460 10 10 DGCE CSc1ncc(CN=c2[nH]nc(C3CCCC3)s2)s1 2208563739 PQSOQPIUUVUQJI-UHFFFAOYSA-N 312.489 3.408 10 10 DGCE CN[C@@H](C[C@]1(C)CCN1C(=O)OC(C)(C)C)c1ccccc1O 2211939647 LDHRECNTWCRGIZ-KSSFIOAISA-N 320.433 3.442 10 10 DGCE CC(C)(C)OC(=O)N[C@]1(C)CC[C@]1(C)[C@H](N)c1ccccc1O 2245356735 FONXAYMYNCGPPJ-ZTFGCOKTSA-N 320.433 3.476 10 10 DGCE COc1ccccc1C=C1SC(N2CCC[C@@H](C)C2)=NC1=O 2296665714 RWWQYNMURUGQMZ-GFCCVEGCSA-N 316.426 3.397 10 10 DGCE Cc1cccnc1C=CC(=O)NCc1ccc(N2CCCC2)cc1 2308836629 SHWSPDJDIYLCJZ-UHFFFAOYSA-N 321.424 3.320 10 10 DGCE O=C(c1ccco1)N1CCN(N=Nc2ccc(F)c(F)c2)CC1 2330251518 AKKGOOOMLQDWSS-UHFFFAOYSA-N 320.299 3.015 10 10 DGCE CN[C@@H](c1ccccc1O)c1c(Br)cnn1C(C)C 2342410742 ZPALCCGHOHNJGB-ZDUSSCGKSA-N 324.222 3.241 10 10 DGCE Cc1ccc(CNC(=O)[C@H]2[C@H]3CCC[C@H]32)c(O)c1Br 2352642665 HOYLRAQMDIFODT-ZSBIGDGJSA-N 324.218 3.125 10 10 DGCE O=C(O)c1cc2c3c(c1O)[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21 5331268 BOLUFUFJWZLKGZ-FVCCEPFGSA-N 309.365 3.243 10 10 DGCE CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(\C)NC1CC1 13627645 AOSUUUWHZGNONY-SFQUDFHCSA-N 313.401 3.224 10 10 DGCE COC(=O)c1cc(Cl)ccc1NCc1ccc(O)cc1O 36941288 NCGUWMOYSGJPJZ-UHFFFAOYSA-N 307.733 3.150 10 10 DGCE Clc1ncccc1NCc1ccc(N2CCOCC2)cc1 36982507 OAZJCHVAJGZLIU-UHFFFAOYSA-N 303.793 3.184 10 10 DGCE CN[C@@H](C)c1ccc(N(CCCOC)CCOC)cc1Cl 78905988 NEXJTNZGVSBWNX-ZDUSSCGKSA-N 314.857 3.110 10 10 DGCE CCCNCc1ccc(OC)c(CSc2nnc(C)o2)c1 81877260 CDGCSARDYRBVMW-UHFFFAOYSA-N 307.419 3.179 10 10 DGCE [N-]=[N+]=NCCNC(=O)c1ccc(Br)c(Cl)c1 149015168 FVTBKXDQDNIBCU-UHFFFAOYSA-N 303.547 3.143 10 10 DGCE C[C@H](NCc1ccc2c(c1)OCCO2)c1ccc(F)c(F)c1O 191184474 HQIRHYGPODLOMS-JTQLQIEISA-N 321.323 3.292 10 10 DGCE CC(C)[C@@H](CNC(=O)OC(C)(C)C)NCc1ccccc1O 227772655 GURIRIDRCMPSKT-CQSZACIVSA-N 308.422 3.031 10 10 DGCE CN(Cc1ccccc1O)C(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@H]21 246745982 XBZAUOYMKZOTHC-QXAKKESOSA-N 322.408 3.262 10 10 DGCE Cc1cc(Cl)cc(CN[C@@H](CO)c2ccc(F)cc2)c1O 271773306 BXJCBLSRNQREEF-HNNXBMFYSA-N 309.768 3.316 10 10 DGCE CSCCCN(C)c1ccc(CN)cc1Br 300802350 FPYKEGGIDAXIDC-UHFFFAOYSA-N 303.269 3.097 10 10 DGCE C[C@H]1CCN(c2ccc(/C=C\C(=O)O)c(Br)c2)C1 382405499 MWRHGCSJPXDDNV-ATPLWMGHSA-N 310.191 3.393 10 10 DGCE NCc1ccc(N(CC(F)F)C2CC2)c(Br)c1 386044108 UHJQVVVCYITQPH-UHFFFAOYSA-N 305.166 3.142 10 10 DGCE CC(C)N1CC[C@H](NCc2cc(Cl)cc(Cl)c2O)C1 389287106 WKFLHQVYHKSBGB-LBPRGKRZSA-N 303.233 3.271 10 10 DGCE CNCc1ccc(N2CCCC(F)(F)C2)cc1Br 405080082 GOGTXUCVLVQJQG-UHFFFAOYSA-N 319.193 3.404 10 10 DGCE NCc1ccc(N2CCC(F)(F)CC2)c(Br)c1 405160781 FNNVWSIPKDDACL-UHFFFAOYSA-N 305.166 3.143 10 10 DGCE CCC[C@@H]1COC[C@H]1NCc1cccc(Br)c1O 699558354 QZGRURWOHADUMT-DGCLKSJQSA-N 314.223 3.059 10 10 DGCE C[C@@H](N)c1ccc(N2CC(OCC(F)(F)F)C2)c(Cl)c1 707640207 JFCAHRLMDXTZBB-MRVPVSSYSA-N 308.731 3.127 10 10 DGCE CN1CCCc2cc(CNC(=O)NCC3CCCCC3)ccc21 746981478 SSRQJDVNPAMFOA-UHFFFAOYSA-N 315.461 3.449 10 10 DGCE CCCN(CCC)c1ccc(CN(C)C[C@@H](C)C(=O)NC)cc1 769570143 XGGGECKSKIXVKI-MRXNPFEDSA-N 319.493 3.127 10 10 DGCE Cc1cc(C)c(O)c(CN2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1 797418758 VQGYCCGUBOSNMC-GJYPPUQNSA-N 319.445 3.167 10 10 DGCE CC[C@@H]1CN(Cc2cc(Cl)cc(C)c2O)C[C@H](C)[S@]1=O 809700119 XVLDTHDGWDOUHA-GZNWPSJOSA-N 315.866 3.085 10 10 DGCE COc1cc(Cl)cc(CN[C@@H](C)Cc2cccc(O)c2)c1O 825124121 IDAVGEQPVLJLOL-NSHDSACASA-N 321.804 3.481 10 10 DGCE O=C1[C@@H](N[C@@H]2CCc3cccc(O)c32)CCCN1c1ccccc1 834585111 GCTHWKKNVCXXMM-SJORKVTESA-N 322.408 3.165 10 10 DGCE COCc1nnc(N[C@@H](C)Cc2ccc(N(C)C)cc2C)s1 840384291 HAIOHUGVLJJBDL-LBPRGKRZSA-N 320.462 3.102 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1C[C@H](C)[C@H]1C 840480992 AMAGTATUISQUJT-SOUVJXGZSA-N 303.450 3.042 10 10 DGCE COC(=O)[C@@H](CC(C)(C)C)NCc1cc(Cl)cc(F)c1O 843423382 MYQNRXLVEUPMGO-GFCCVEGCSA-N 317.788 3.252 10 10 DGCE FC(F)(F)[C@@H](NCc1ccc2c(c1)CCO2)c1nccs1 862431582 KWMUAAPVHINVHC-LBPRGKRZSA-N 314.332 3.471 10 10 DGCE CC(C)(c1nc(Cc2ccc(N)cc2)no1)[C@@H]1CCCCO1 872170521 JEEHRYYPSWHGKG-AWEZNQCLSA-N 301.390 3.089 10 10 DGCE O=C1CCCc2ccc(NC(=O)N3Cc4cccc(O)c4C3)cc21 930271802 OWFZKXRRKCYGSC-UHFFFAOYSA-N 322.364 3.459 10 10 DGCE Cc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1OC(C)C 1156359516 JUWWGEPPSAKDSJ-UHFFFAOYSA-N 315.369 3.375 10 10 DGCE CC(C)c1nccn1CC(=O)NCc1c(O)ccc2ccccc12 1157050434 GVDVRGBPHHCSFB-UHFFFAOYSA-N 323.396 3.182 10 10 DGCE Cc1cc(CCCC(=O)NCc2cccc(O)c2O)c(C)s1 1263894699 RPNBIFCIWDKMDE-UHFFFAOYSA-N 319.426 3.415 10 10 DGCE CN(C)c1ccc(CNC(=O)Cc2ccc(F)c(Cl)c2)cc1 1355878898 NJKIORJHRNKFCD-UHFFFAOYSA-N 320.795 3.404 10 10 DGCE O=C(Nc1ccccc1[C@@H](O)C(F)(F)F)c1cc(O)cs1 1466471103 PKCKQRHHBCRBKH-LLVKDONJSA-N 317.288 3.302 10 10 DGCE COc1ccc(CNCC2(NC(=O)C(C)C)CCCC2)cc1C 1567993167 CLLXPUBELNIQIR-UHFFFAOYSA-N 318.461 3.178 10 10 DGCE COCC[C@@H](C)CNC(=O)c1ccc(-n2c(C)ccc2C)cc1 1585074140 JTXZLIHKQDNXMB-CQSZACIVSA-N 314.429 3.497 10 10 DGCE CCC/C=C\[C@@H](O)C(=O)NCc1ccc(N2CCCCC2)cc1 1630698221 OUWQAFFDEDORRW-GNJLHFKMSA-N 316.445 3.010 10 10 DGCE CC[C@@H](NCc1ccc(N2CCOCC2)cc1)[C@H]1CC1(C)C 1654775375 PEFWQIZOTAVPAM-QZTJIDSGSA-N 302.462 3.438 10 10 DGCE CCN(C)c1ccc(CN2CC[C@H](O)[C@@H]3CCCC[C@H]32)cc1 1655401476 ZQHFDCXONAMVLD-QRVBRYPASA-N 302.462 3.268 10 10 DGCE Oc1cccc(Br)c1CN[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21 1663121646 BWJHHUAOTGDHOF-XXUISHGZSA-N 308.219 3.289 10 10 DGCE CC[C@H](C)C(=O)N[C@H](CNCc1ccc(OC)c(C)c1)C1CC1 1733165597 USKPTJXOQSQXLF-SUMWQHHRSA-N 318.461 3.034 10 10 DGCE O=C1c2ccccc2C(=O)c2c(NC3CCOCC3)cccc21 1857847415 NBYMYHRPJDVFGY-UHFFFAOYSA-N 307.349 3.053 10 10 DGCE Cc1c(I)cc(C(=O)O)cc1CN=[N+]=[N-] 1887551846 VZRBCOCXZDHQIO-UHFFFAOYSA-N 317.086 3.108 10 10 DGCE Cc1nc(Cl)nc(Cl)c1CCN1CC[C@H](CN=[N+]=[N-])C1 1912180579 CPJNPMVBCZFTRP-SECBINFHSA-N 315.208 3.267 10 10 DGCE CN[C@@H](c1ccccc1O)[C@@]1(C)CCCN1C(=O)OC(C)(C)C 1936974482 OGDSKWCODBONFH-MAUKXSAKSA-N 320.433 3.442 10 10 DGCE CC(C)(C)OC(=O)NC[C@H](Cc1ccc(N)cc1)C(F)F 1952854288 QQXJIKHCAJXEFA-NSHDSACASA-N 300.349 3.217 10 10 DGCE CC1(C)CCO[C@@H]1CNCc1ccc(Br)cc1O 1967843265 NIJIQYXXZPHNQH-CYBMUJFWSA-N 314.223 3.059 10 10 DGCE Nc1ccc(CCN2C[C@@H]3CCN(Cc4ccccc4)[C@H]3C2)cc1 2015060058 HHZFYLYDRQRBKV-FPOVZHCZSA-N 321.468 3.018 10 10 DGCE Oc1ccc(Br)cc1CNC[C@H]1C[C@@H]1C(F)(F)F 2041785487 WNBDPYKQQXJIQN-XCBNKYQSSA-N 324.140 3.443 10 10 DGCE COCCN1C(=O)C(=Cc2cc(C)ccc2C)SC1=S 2042449263 JKHCTSVEWMYAQC-UHFFFAOYSA-N 307.440 3.151 10 10 DGCE CCNCc1ccc(N2CC[C@@H]2C(F)F)c(Br)c1 2051807504 UOFJZZCWSPZBHK-GFCCVEGCSA-N 319.193 3.402 10 10 DGCE CO[C@H]1CC[C@H](N(C)Cc2c(O)cccc2Br)C1 2067116399 ZYQHWVBPFVBMGD-QWRGUYRKSA-N 314.223 3.154 10 10 DGCE CCOC(=O)c1cnn(Cc2cc(C)ccc2O)c1C(F)F 2078999702 UGMXIYOSXADDTD-UHFFFAOYSA-N 310.300 3.060 10 10 DGCE CCCN[C@@H]1[C@H](Sc2nccs2)COCCC1(F)F 2097090205 CTYXVIMKGVCRIM-NXEZZACHSA-N 308.419 3.028 10 10 DGCE Cc1cc(N(C)Cc2cc(Br)cn2C)ccc1CN 2114688951 XWCCQMFCKDTGRP-UHFFFAOYSA-N 322.250 3.191 10 10 DGCE CCNCc1ccc(N(C)Cc2ccno2)cc1Br 2137777938 YHLDFIVUJIOXAM-UHFFFAOYSA-N 324.222 3.183 10 10 DGCE CN[C@@H](C)c1ccc(N2CC[C@@](F)(COC)C2)cc1Cl 2179806137 ZOTFLSFYHXEXDA-NHYWBVRUSA-N 300.805 3.185 10 10 DGCE CC(C)(NCc1ccc(N)cc1)c1cc(Br)no1 2256760436 DYDNAMDGJWDJNI-UHFFFAOYSA-N 310.195 3.044 10 10 DGCE COC[C@]1(C)C[C@@H]1CN(C)c1cc(Cl)c(CN)cc1F 2284730310 WPLZXVRPWMHZAK-ABAIWWIYSA-N 300.805 3.047 10 10 DGCE COCC(COC)N(C)[C@@H](C)c1cc(Cl)c(C)cc1O 2286441894 FIWZIIHNBXIONC-NSHDSACASA-N 301.814 3.008 10 10 DGCE C[C@H](O)c1ccc(N2CCc3ncsc3CC2)cc1Cl 2287250188 PJDNDFPOZMWWNI-JTQLQIEISA-N 308.834 3.455 10 10 DGCE COc1cc(C=C2C(=O)N(c3ccccc3)N=C2C)ccc1O 2293024472 WHEOSUQAGOFBFX-UHFFFAOYSA-N 308.337 3.207 10 10 DGCE Cc1ccc(CNC[C@H]2CCCS2)c(O)c1Br 2307572708 ZQNZOVFCHDCQTK-LLVKDONJSA-N 316.264 3.448 10 10 DGCE C[C@H]1c2ccccc2CCN1C(=O)C=Cc1ccc(O)c(O)c1 2308001272 RMEUDRBCPKCYCK-ZDUSSCGKSA-N 309.365 3.257 10 10 DGCE Oc1cc(Br)ccc1CN[C@@H]1C[C@@H]2C[C@H]1[C@H]1C[C@H]21 2309575462 QHHGYQIBANYJQZ-KLIAIHJMSA-N 308.219 3.289 10 10 DGCE Nc1nc(-c2csc(I)c2)cs1 96378847 JINGPRIIFFGFRV-UHFFFAOYSA-N 308.169 3.058 10 10 DGCE Cc1cccc(/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)c1 96505527 AZZPCNGZNVFWCM-OZYJXZHSSA-N 319.451 3.375 10 10 DGCE CNC1C[C@H]2CC[C@H](C1)N2c1ccc(OC(F)(F)F)cc1 108033124 JDHLGZPPPIHECG-CHWSQXEVSA-N 300.324 3.304 10 10 DGCE C[C@H]1CN(c2ccc([C@H](C)N)cc2Br)CCCO1 109571846 FAOBJZAUXAEDLH-QWRGUYRKSA-N 313.239 3.084 10 10 DGCE COC[C@H](C)N(C)[C@@H](C)c1cc(Br)ccc1O 132677931 CJLDNXTZJLLMSK-UWVGGRQHSA-N 302.212 3.182 10 10 DGCE COc1cc(C)cc(CN2CCO[C@@H](c3ccsc3)C2)c1O 164489088 QSMYGRBDAYXAJX-MRXNPFEDSA-N 319.426 3.344 10 10 DGCE CCCN(CC(=O)Nc1ccccc1F)Cc1ccccc1O 170779320 OGPUAAIMBSVXNE-UHFFFAOYSA-N 316.376 3.382 10 10 DGCE COc1ccc(N(C)Cc2nnc(C(C)C)n2C)cc1Cl 177070981 AUFGVURMVARRFG-UHFFFAOYSA-N 308.813 3.237 10 10 DGCE CC(C)c1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1ccc(F)cc1O 185683896 JAYPRKSLQLJLFR-FZMZJTMJSA-N 318.396 3.432 10 10 DGCE [N-]=[N+]=NCCCCNC(=O)Cc1cccc(Br)c1 231730345 DQCUNBRUFVWGJE-UHFFFAOYSA-N 311.183 3.198 10 10 DGCE CO[C@@]1(C)CCN(c2ccc([C@H](C)N)cc2Br)C1 310916363 RQJYCCFGZDGQMB-HZMBPMFUSA-N 313.239 3.084 10 10 DGCE CNCc1ccc(N(C)CC(C)(C)OC)cc1Br 404213061 XECVMXUCTVVREL-UHFFFAOYSA-N 315.255 3.030 10 10 DGCE CC1(C)CC[C@H](CNCc2ccc(Br)cc2O)O1 691439644 IBEJVWKNBVUUFE-GFCCVEGCSA-N 314.223 3.202 10 10 DGCE C[C@@H](O)c1ccc(N2CC[C@H](CF)C2)c(Br)c1 711426789 KGQOXCCKULNBNM-NXEZZACHSA-N 302.187 3.298 10 10 DGCE NCc1ccc(N2CCS[C@H](C(F)(F)F)C2)cc1Cl 721391819 VADDKBSMIJPMEY-NSHDSACASA-N 310.772 3.283 10 10 DGCE COCCN(Cc1cc(C)cc(C(C)(C)C)c1O)[C@@H]1CCOC1 782959409 BWQXPXYMLLSGGA-MRXNPFEDSA-N 321.461 3.235 10 10 DGCE C[C@@H](NC(=O)CC[C@H]1CCCCN1C)c1ccc(N(C)C)cc1 807274341 OIUZLYVYKQEVPK-CRAIPNDOSA-N 317.477 3.194 10 10 DGCE CCOC1(C(=O)N(C)Cc2ccc(N(CC)CC)cc2)CCC1 819974964 WNWPBWNYYHVPTN-UHFFFAOYSA-N 318.461 3.450 10 10 DGCE COc1cc(CN(C[C@H](C)O)C(C)C)c(O)c(C(C)(C)C)c1 824725908 OGJDZPWEIHBPNZ-ZDUSSCGKSA-N 309.450 3.290 10 10 DGCE C[C@]12COC[C@@H]1CN(Cc1ccc(N3CCCCC3)cc1)C2 827283655 RCCOIDZHAKYQNJ-HKUYNNGSSA-N 300.446 3.145 10 10 DGCE C[C@H](NCC1=CCOCC1)c1cccc(C(F)(F)F)c1O 834861297 YZSQLEVAJNKTDH-JTQLQIEISA-N 301.308 3.408 10 10 DGCE Oc1ccc(F)cc1CNCC[C@@H]1CCc2ccccc2N1 844911976 QMFXELWNVAOWAU-INIZCTEOSA-N 300.377 3.438 10 10 DGCE CCOc1ccc(O)c(CN[C@H]2[C@@H]3c4ccc(F)cc4C[C@H]32)c1 850409119 LFTSOCIZPJGALB-BHIYHBOVSA-N 313.372 3.358 10 10 DGCE C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C1CCC(F)CC1 856080568 LBJSCIAIDSSKCH-MIXQZFMHSA-N 307.365 3.144 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1C[C@H](C)[C@@H]1C 861836924 NOTQFGLFESJLDC-JSGCOSHPSA-N 310.397 3.387 10 10 DGCE O=C(c1cccc([C@@H]2CCOC2)c1)N1Cc2cccc(O)c2C1 871203812 RLJNQWSPMXOPNV-MRXNPFEDSA-N 309.365 3.052 10 10 DGCE O=C(C[C@H]1CCC2(CCC2)CO1)NCc1cc(Cl)ccc1O 898277322 MSNKQYUUIGVCJA-CQSZACIVSA-N 323.820 3.401 10 10 DGCE C[C@H](NC(=O)/C=C/c1ccc(C=O)cc1)c1ccc(N(C)C)cc1 1296650488 VRKCLXRPFVDCFU-NRUITVPNSA-N 322.408 3.456 10 10 DGCE CCN1CC[C@H](N(C)Cc2ccc(N(C)CC)cc2)[C@H](C)C1 1320876917 UAFNTGMATNLLCN-APWZRJJASA-N 303.494 3.305 10 10 DGCE CC[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(F)cc1 1546074458 RFOJAHRAWIDMNR-AWEZNQCLSA-N 303.333 3.047 10 10 DGCE O=C(NCc1c(O)cccc1F)NC[C@@H]1C[C@@H]1C1CCCC1 1565481155 HWFWONKZMARMBR-QWHCGFSZSA-N 306.381 3.157 10 10 DGCE CC(C)CC[C@H]1CCC[C@H]1NC(=O)Cc1ccc(O)c(O)c1 1611413260 VNHDMVPMDYVYII-HUUCEWRRSA-N 305.418 3.361 10 10 DGCE O=C(NCc1ccccc1O)c1ccn(Cc2ccccc2)c1 1622772722 DCAJEQMUTBQDGX-UHFFFAOYSA-N 306.365 3.172 10 10 DGCE C[C@@H](CN(C)C(=O)Cc1ccc(O)c(O)c1)C1CCCCC1 1631788167 PFCBJEMJWYTIQV-ZDUSSCGKSA-N 305.418 3.315 10 10 DGCE O=C(NCc1c(O)cccc1O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 1635847000 GBUHZLFFCPRRIY-MGPQQGTHSA-N 303.402 3.321 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2ccncc2c1 1638348642 WIBJKLIINRLEKG-LBPRGKRZSA-N 322.364 3.007 10 10 DGCE C[C@@H](NC(=O)c1ccccc1-n1cccn1)c1ccccc1O 1642824055 DJSWYSZZDJABDE-CYBMUJFWSA-N 307.353 3.069 10 10 DGCE CC(=O)c1cc(C(=O)NCc2c(O)ccc3ccccc23)n(C)c1 1652705769 NPJJNCZQMWEZBI-UHFFFAOYSA-N 322.364 3.017 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1C[C@H]2CCC[C@H]21 1684670511 WFYAHUDBVWREGF-FRFSOERESA-N 314.429 3.259 10 10 DGCE COC1(C(F)(F)F)CC(NCc2cc(Cl)ccc2O)C1 1875678795 BHLZVRXVYWFOQY-UHFFFAOYSA-N 309.715 3.245 10 10 DGCE [N-]=[N+]=N[C@H]1CCN(C(=O)c2sccc2Br)C1 1912163931 PTOSCJQMLLUNMF-LURJTMIESA-N 301.169 3.035 10 10 DGCE CO[C@H]1CCN(c2ccc([C@@H](C)N)c(Br)c2)[C@@H]1C 1914273403 YMJJMWCBXURRMN-RULNRJAQSA-N 313.239 3.082 10 10 DGCE C[C@H](N)c1ccc(N2C[C@@H](C)[C@@H](F)C2)cc1Br 1947337559 CPQXPWVFSGTQPO-ZDMBXUJBSA-N 301.203 3.263 10 10 DGCE Cc1ccc(CNCC2(CNC(=O)OC(C)(C)C)CC2)c(O)c1 1963050569 HIZNHRKVLKQMOV-UHFFFAOYSA-N 320.433 3.095 10 10 DGCE Cc1cccc(O)c1CNC1CC(CNC(=O)OC(C)(C)C)C1 1964593754 IDLJDQZBEZFVTK-UHFFFAOYSA-N 320.433 3.094 10 10 DGCE CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)c1ccc(N(C)C)cc1 1977957446 FNWQIKLCNKCIOH-CVEARBPZSA-N 322.449 3.479 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN1Cc1csc(Br)n1 1984483982 MDYLZTHZRJRVNP-QMMMGPOBSA-N 302.201 3.180 10 10 DGCE Oc1ccc(Br)cc1CN1CCCC[C@@H]1CF 2004480870 CMAVCNJAMAECIK-GFCCVEGCSA-N 302.187 3.479 10 10 DGCE C[C@H]1CN(Cc2ccccc2)CCN1c1ccc2c(c1)CC[C@@H]2O 2012705222 MJAHKJSAARZAQO-KKSFZXQISA-N 322.452 3.377 10 10 DGCE CO[C@@H]1CCCN(Cc2cc(Br)ccc2O)[C@H]1C 2037811769 IUXKWMPCVJEDBG-IINYFYTJSA-N 314.223 3.154 10 10 DGCE C[C@@H](c1c(O)cccc1F)n1nccc1C(=O)OC(C)(C)C 2069969724 BBMITRPHUGZNDO-JTQLQIEISA-N 306.337 3.292 10 10 DGCE O=Cc1nn(Cc2c(O)cccc2F)c(C(F)(F)F)c1Cl 2079229038 CXBLINOKZNHYHD-UHFFFAOYSA-N 322.645 3.261 10 10 DGCE CN[C@H](c1coc(Br)c1)c1ccc2c(c1)CCN2C 2106856121 VWKITUVRNRDDGG-HNNXBMFYSA-N 321.218 3.343 10 10 DGCE CN[C@@H](c1ccc(Cl)s1)[C@@H](O)c1ccc(N(C)C)cc1 2147640321 DBGFRMHTSZWVRW-GJZGRUSLSA-N 310.850 3.462 10 10 DGCE NCc1ccc(N2CCS[C@H]3CC[C@H]32)c(C(F)(F)F)c1 2152191386 JMIXZEMWVCSQCE-OLZOCXBDSA-N 302.365 3.248 10 10 DGCE CC[C@H]1C[C@H](C(=O)O)N(Cc2cc(Cl)cc(Cl)c2O)C1 2159278989 XFODHNUWIZATRD-QPUJVOFHSA-N 318.200 3.384 10 10 DGCE N[C@@H](c1ccccc1O)[C@H](O)c1cc(C(F)(F)F)cs1 2161214174 IQRVPMURSCLELF-NWDGAFQWSA-N 303.305 3.206 10 10 DGCE Oc1ccc(CNCc2cc(C(F)(F)F)cs2)cc1O 2161219444 ZOGYWIVZTDECRH-UHFFFAOYSA-N 303.305 3.468 10 10 DGCE C[C@@H](O)c1ccc(N(C)Cc2ncc(Cl)n2C)c(Cl)c1 2166113052 BUCSUGJGGAZFIG-SECBINFHSA-N 314.216 3.417 10 10 DGCE CO[C@]1(CN(C)c2ccc([C@H](C)O)cc2Cl)CCSC1 2186186033 PPZAXJCUUUTWRQ-NHYWBVRUSA-N 315.866 3.352 10 10 DGCE CSc1ncc(CNc2ccc(C(N)=S)cc2F)s1 2269243001 SPXCXCMASZTDBR-UHFFFAOYSA-N 313.448 3.250 10 10 DGCE OCc1ccc(N2C[C@@H]3[C@@H](C(F)(F)F)C[C@H]3C2)cc1Cl 2281134914 WBHWPMHGUGEZPU-DLOVCJGASA-N 305.727 3.467 10 10 DGCE COc1cc(Cl)sc1[C@H](NN)c1ccc(N(C)C)cc1 2295715335 VTSNPUWKGXZORE-CYBMUJFWSA-N 311.838 3.029 10 10 DGCE CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(C(=O)O)cc1 2296800813 XJUFJVQNPISTMC-UHFFFAOYSA-N 321.336 3.103 10 10 DGCE Cc1ccc2c(c1)[C@H](NC(=O)C=Cc1ccc(O)c(O)c1)[C@@H](C)C2 2308083253 IPDPTYKAHJUYSC-RNODOKPDSA-N 323.392 3.469 10 10 DGCE CN(c1ccc(CN)cc1Br)[C@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21 2330300124 MKPIZOQEQWIEHZ-MXOJCPGVSA-N 321.262 3.389 10 10 DGCE CCN(CCN=[N+]=[N-])C(=O)c1c(C)cc(Cl)nc1Cl 2337776123 JVHABMWAPPULRL-UHFFFAOYSA-N 302.165 3.469 10 10 DGCE Oc1cc2c(cc1O)CN(c1ccc(Br)cc1)CC2 2341216283 JWCTZIXMEMKZLI-UHFFFAOYSA-N 320.186 3.423 10 10 DGCE Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]32)c(O)c1Br 2352944587 JTGOZRYFIWOHHH-VXGBXAGGSA-N 324.218 3.364 10 10 DGCE Oc1ccc(Cl)cc1CNCc1snnc1C1CCC1 2361146660 TYRLSVHMBCADFA-UHFFFAOYSA-N 309.822 3.454 10 10 DGCE C[C@H](CCSCC(=O)N(C)c1ccc(N)cc1)C(F)F 2363910421 KRJNBMBRCFIPRL-SNVBAGLBSA-N 302.390 3.256 10 10 DGCE Cc1cc(N2CC[C@@H](SC(F)F)C2)ccc1C[C@H](C)N 2365649845 JNTYWCVWYBWUMR-SMDDNHRTSA-N 300.418 3.419 10 10 DGCE CSc1ncc(CN[C@@]2(C(=O)O)CCC[C@H](C)CC2)s1 2374453396 AXVRRQCOLHPZOC-HZMBPMFUSA-N 314.476 3.378 10 10 DGCE Cc1ccnc(NCCc2ccc(N)cc2)c1Br 235933736 WZDQVYCBEYKGPB-UHFFFAOYSA-N 306.207 3.389 10 10 DGCE CSC[C@@H](C)N(C)Cc1cc(Cl)cc(C(C)=O)c1O 122834612 BHUKHZXTWPZWRR-SECBINFHSA-N 301.839 3.432 10 10 DGCE Cc1ccc([C@@H](C)NCC[C@H]2C(=O)Nc3ccccc32)c(O)c1 185879307 HDKPTELCBCGYIV-CZUORRHYSA-N 310.397 3.477 10 10 DGCE CN(Cc1c(C(F)F)nn(C)c1Cl)c1ccc(N)cc1 2364967475 UNIXLJZEXDZDLT-UHFFFAOYSA-N 300.740 3.230 10 10 DGCE CCN(CC)c1ccc(CN[C@@H]2C[C@@H](C)N(C)C[C@H]2C)cc1F 248185125 XDSHRKJONXCZCY-IIDMSEBBSA-N 321.484 3.490 10 10 DGCE Cc1cnc(CNC(=S)Nc2ccc(F)cc2F)c(C)c1 242540344 BYJTYSUWVZCIRI-UHFFFAOYSA-N 307.369 3.463 10 10 DGCE COc1ccc2c(c1)CCCCN2C[C@@H](O)CC(F)(F)F 276218248 LUYZZSLPUGIVDX-LBPRGKRZSA-N 303.324 3.151 10 10 DGCE CN(C)c1ccc(CN(Cc2cncnc2)Cc2ccco2)cc1 289804398 MZTYZWCBLYTYNS-UHFFFAOYSA-N 322.412 3.338 10 10 DGCE CC(=O)C(=O)COC(=O)CC(C)(C)Cc1ccc(Cl)cc1 808539832 ICLKNOVJWQRGQX-UHFFFAOYSA-N 310.777 3.000 10 10 DGCE CCn1ccnc1CN[C@@H](C)c1cc(Br)ccc1O 296411666 KWYDGUPXOATXLC-JTQLQIEISA-N 324.222 3.222 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)Cc1c(C2CCC2)cnn1C 824474826 UIFJSYWHZXCXEB-UHFFFAOYSA-N 312.461 3.386 10 10 DGCE Cc1cc(O)c(CN2CC(CO)(c3ccccc3)C2)cc1Cl 826123949 XOWOFDNYPGNXNX-UHFFFAOYSA-N 317.816 3.100 10 10 DGCE Cn1ncc2c1CC(C)(C)CN(Cc1cc(Cl)ccc1O)C2 828018162 HAIDYXKEYUEYHR-UHFFFAOYSA-N 319.836 3.364 10 10 DGCE Cc1cc(N(C)C)ccc1CN1CCOc2ccc(N)cc2C1 903945142 QUTDIEHHPKMZJP-UHFFFAOYSA-N 311.429 3.038 10 10 DGCE CN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@@H]1CCc2ccccc2C1 588404394 ABTMRDKXSZZKOB-CGICMKJESA-N 323.392 3.127 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@@H]2CCCCC[C@@H]2C(=O)O)cc1 904026612 XCQRXILANVUPCR-PLQXZHKYSA-N 316.445 3.389 10 10 DGCE CC[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1nc(C)cs1 588404136 PHEUJMXYDBZGQO-SMYYYNMVSA-N 318.398 3.143 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@@H]2CNc3ccccc3C2)cc1 844906961 XBHYZYYKXCVALT-QWNKOJSDSA-N 307.441 3.392 10 10 DGCE Cc1cc(O)c(CNCc2nccc(C(F)F)n2)c(Cl)c1 840945701 VSIIAYUEAVSAOG-UHFFFAOYSA-N 313.735 3.371 10 10 DGCE C[C@@H](CNCc1cc(F)ccc1O)N(C)Cc1ccccc1 390571319 TWLSDGGEALCWBM-AWEZNQCLSA-N 302.393 3.141 10 10 DGCE Cc1cc(N(C)C)ccc1CNCCCc1c(C)noc1C 840936313 CETFWIHARMVZOI-UHFFFAOYSA-N 301.434 3.388 10 10 DGCE CCc1noc(C)c1NC(=O)NCc1cc(Cl)ccc1O 844582685 MFBQLPWXLFTCCL-UHFFFAOYSA-N 309.753 3.226 10 10 DGCE CCCCN(CC)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 852453376 LSAOVSLNWBPTSI-OAHLLOKOSA-N 319.449 3.106 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@H](C2CCC2)C1 856171857 BBVBSVPJAZZOIW-HEWZJLJBSA-N 301.386 3.150 10 10 DGCE C[C@H]1CCN(Cc2c(O)ccc3ccncc23)C[C@H]1n1ccnc1 759156651 HJDKUIGLUGDTQF-KBXCAEBGSA-N 322.412 3.220 10 10 DGCE c1ccc(-n2nccc2CCNCc2ccc3c(c2)CCO3)cc1 922444081 VZDLMMPLZKWDLK-UHFFFAOYSA-N 319.408 3.140 10 10 DGCE c1cc2c(cc1CNC[C@H]1CCC13CCOCC3)CCCO2 922317318 YQPLZLFMWBCFDC-QGZVFWFLSA-N 301.430 3.308 10 10 DGCE FC(F)(F)[C@@H]1CC[C@@H](CNCc2ccc3c(c2)CCCO3)O1 922454141 BMSILUWDQYSCAC-ZFWWWQNUSA-N 315.335 3.211 10 10 DGCE CC(C)[C@H](CC(F)(F)F)NC(=O)NCc1c(O)cccc1F 922124785 GHZAQPYNPCIZPU-NSHDSACASA-N 322.302 3.308 10 10 DGCE Nc1ccc(C[C@@H](O)Cc2ccsc2Br)cc1 696542600 FXANSWBZKMCNAO-GFCCVEGCSA-N 312.232 3.239 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2C[C@@H](C)[C@H]2C)cc1 861836291 FKUUGJKUECSECB-UKRRQHHQSA-N 324.424 3.316 10 10 DGCE CC[C@H]1C[C@@H](CN2CCOc3cc(N(C)C)ccc32)CCO1 765653600 APBRVXDBFKUUGY-HOCLYGCPSA-N 304.434 3.157 10 10 DGCE CC[C@H](N[C@@H]1CCN[C@H]1C)c1cc(Cl)cc(Cl)c1O 863547241 QKOORMGYOQGICM-AQUOVQTQSA-N 303.233 3.490 10 10 DGCE CCN(C)c1ccc(CN2CCC[C@@H](c3ccncn3)C2)cc1 773745324 AOCUEZRNGDBPNN-QGZVFWFLSA-N 310.445 3.312 10 10 DGCE C[C@H](NC(=O)NC[C@@H]1OCc2ccccc21)c1ccccc1O 1123734063 OBJODBFWIXSVES-SJCJKPOMSA-N 312.369 3.024 10 10 DGCE CCSC1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CC1 898977509 JJDWQPRHRMQUIO-UHFFFAOYSA-N 323.439 3.328 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCCc3occc32)cc1 1135224004 SCQDCFSCQDGFFV-CYBMUJFWSA-N 312.329 3.249 10 10 DGCE CCC(C)(C)CC(=O)N(C)CCN(C)c1ccc(OC)cc1 1130744345 ACSGBFHWWJDHNV-UHFFFAOYSA-N 306.450 3.416 10 10 DGCE O=C(Nc1ccnn1C1CCCCC1)c1cccc(O)c1O 790512387 JQXIQUWWEOCAQL-UHFFFAOYSA-N 301.346 3.052 10 10 DGCE COc1cccc(O)c1CN[C@H](C)COCc1ccccc1 1958764967 PUWXEGQSFPCKKK-CQSZACIVSA-N 301.386 3.096 10 10 DGCE COc1ccc(O)c([C@@H](C)NCCCc2scnc2C)c1 1307628068 FZHDGBQBNWZCHS-LLVKDONJSA-N 306.431 3.449 10 10 DGCE Cc1cccc(F)c1C(=O)N(C)Cc1ccc(N(C)C)cc1 1319061215 UBMMOONGWBOQJB-UHFFFAOYSA-N 300.377 3.472 10 10 DGCE Nc1ccc(Cc2nc(CCc3ccc(Cl)cc3)n[nH]2)cc1 82752286 IFOYHLMUDPWQSL-UHFFFAOYSA-N 312.804 3.416 10 10 DGCE Cc1cc(CN2C[C@H](C)O[C@](C)(C(F)F)C2)ccc1N(C)C 1174723530 CLXUGLLFUMVKGF-GUYCJALGSA-N 312.404 3.306 10 10 DGCE CCO[C@H](C)CNCc1cc(Cl)cc(Br)c1O 708098964 NHUPQZVPIMEPDS-MRVPVSSYSA-N 322.630 3.323 10 10 DGCE CN(C[C@H]1C[C@H]1C1CC1)c1ccc(CO)cc1Br 698331881 BAYPFPCJANDBHV-OLZOCXBDSA-N 310.235 3.424 10 10 DGCE C[C@H]1CO[C@@H](C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1 1332723325 GAFBWZVIZLRKDW-CRAIPNDOSA-N 316.445 3.060 10 10 DGCE Cc1cccnc1NC(=O)c1cc2cc(O)c(O)cc2s1 1441467756 RVJWLIZRJGGCQN-UHFFFAOYSA-N 300.339 3.268 10 10 DGCE COc1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)c(C)c1 1443193713 YETFDVQNNZCHOY-UHFFFAOYSA-N 312.329 3.418 10 10 DGCE CCc1ccc([C@H](C)CC(=O)NCc2cccc(O)c2O)cc1 1520509700 UKUFDJHRULAOML-CYBMUJFWSA-N 313.397 3.470 10 10 DGCE Cc1cc(CNC(=O)c2ccsn2)c(C)n1-c1ccccc1 1535142469 BUMAKMKXZBKOQU-UHFFFAOYSA-N 311.410 3.481 10 10 DGCE COc1ccc(CNC2(CNC(=O)C(C)(C)C)CCC2)cc1C 1700140280 GRGXLXQQCHBFNN-UHFFFAOYSA-N 318.461 3.178 10 10 DGCE Cc1cnccc1/C=C\C(=O)Nc1c(Cl)ccc2nonc12 1543806020 RMJQZVNQKBOCNF-DJWKRKHSSA-N 314.732 3.232 10 10 DGCE O=C(/C=C\c1cccc(F)c1)NCc1ccc2cccnc2c1O 1639624687 GBJVCPSENADIEQ-TWGQIWQCSA-N 322.339 3.409 10 10 DGCE O=[N+]([O-])c1cccc2c(NCc3cc(O)ccc3O)nccc12 1640350723 OSMLENXKPNZOHF-UHFFFAOYSA-N 311.297 3.166 10 10 DGCE CN(CCN=[N+]=[N-])Cc1c(F)ccc(Br)c1F 1912154897 DPEWHZLNGNEDFK-UHFFFAOYSA-N 305.126 3.469 10 10 DGCE [N-]=[N+]=NCC1CCN(C(=O)c2ccoc2Br)CC1 1912200542 ISGYFYOLWDLVPA-UHFFFAOYSA-N 313.155 3.205 10 10 DGCE C[C@@H](NC(=O)c1cc(F)cc(Cl)c1N)c1ccccc1O 1587447120 JPGLPZIKWFZGFY-MRVPVSSYSA-N 308.740 3.258 10 10 DGCE O=C(N[C@@H]1CCCc2ccc(F)cc21)c1c(F)ccc(O)c1O 1654543286 PVESGQSHYFPBDL-CYBMUJFWSA-N 319.307 3.183 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNCCc1cncs1 1965952999 KQVOVJAWMOFCKE-UHFFFAOYSA-N 303.214 3.488 10 10 DGCE CNCc1ccc(N2CCOC(C)(C)C2)cc1C(F)(F)F 167360729 WBLJLCXWCFEWFW-UHFFFAOYSA-N 302.340 3.040 10 10 DGCE O=C(NCc1ccc(O)c(O)c1)[C@H]1C[C@@H]1c1ccccc1Cl 159010536 QJADOMXGMXZIEA-OLZOCXBDSA-N 317.772 3.171 10 10 DGCE CC[C@H](C)N=NNc1ccc(C(=O)NCCN(CC)CC)cc1 1860488775 KBXBBFUQJVCSJN-AWEZNQCLSA-N 319.453 3.336 10 10 DGCE CC[C@H](O)CN(Cc1ccccc1)c1ccc(CN)c(F)c1 1915377372 HEXCLWRJACSUCO-KRWDZBQOSA-N 302.393 3.062 10 10 DGCE Cc1cccc(CNC(C)(C)CNC(=O)OC(C)(C)C)c1O 231036531 FCMVKQVODOIJFL-UHFFFAOYSA-N 308.422 3.094 10 10 DGCE CCOC(=O)C[C@@H](N)c1c(O)c(Cl)cc(Cl)c1Cl 1951375220 HJIIGSDMOZZJIA-SSDOTTSWSA-N 312.580 3.305 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H](F)[C@H]1c1cc(N)ccc1O 1953069578 QDFIJYRBLFOJDY-TZMCWYRMSA-N 310.369 3.385 10 10 DGCE O=C(O)[C@]12C[C@H]1CCCN2Cc1cc(Cl)cc(Cl)c1O 2143929547 UBZUBGPPOONQRV-OTYXRUKQSA-N 316.184 3.138 10 10 DGCE CN(C)c1ccc([C@H](N)C2(NC(=O)OC(C)(C)C)CCC2)cc1 1977945231 MNWOQPPHMYKOEX-HNNXBMFYSA-N 319.449 3.200 10 10 DGCE C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1Cc1ccc(N)cc1 1986116174 UGLPDKRWMOODOO-CZUORRHYSA-N 319.449 3.146 10 10 DGCE Nc1ccc(CCN2CCC[C@H](OCc3ccccc3)C2)cc1 1987067303 VULJYRVCHLJGSQ-FQEVSTJZSA-N 310.441 3.493 10 10 DGCE CNCc1ccc(N(C)[C@H]2CCSC2)c(C(F)(F)F)c1 163671994 PEQVUQHOINXJMX-NSHDSACASA-N 304.381 3.367 10 10 DGCE CC[C@@H](COC)N(C)Cc1cc(Br)ccc1O 2001430516 VIYARSKIADVSBC-LBPRGKRZSA-N 302.212 3.012 10 10 DGCE CC[C@H](C)N(CCOC)Cc1ccc(Br)cc1O 691778830 JEIWPICXWTUTJI-NSHDSACASA-N 316.239 3.402 10 10 DGCE CS[C@H]1CC[C@@H]1NCc1cc(Br)cc(F)c1O 715739311 SNJBTBYKMSNCMF-QWRGUYRKSA-N 320.227 3.277 10 10 DGCE Cc1cccc(O)c1Cn1nc(C2CC2)c(CO)c1C(F)F 2079125538 RZLFVPSXQQMASI-UHFFFAOYSA-N 308.328 3.253 10 10 DGCE CO[C@@H]1CC[C@@H]1CCNCc1cccc(Br)c1O 2066825280 GVMXFOYGCCXIEV-ZWNOBZJWSA-N 314.223 3.059 10 10 DGCE CC[C@H](COC(F)F)NCc1cc(Br)ccc1O 2067269382 XNRJSEGHJQIDAV-SNVBAGLBSA-N 324.165 3.262 10 10 DGCE Cc1ccc(Br)cc1[C@@H](O)[C@H](N)c1ccccc1O 2098636103 KFZFAYZGXZYFTI-HUUCEWRRSA-N 322.202 3.197 10 10 DGCE C[C@H](N)Cc1cnc(Sc2nc3cnccc3s2)s1 2099143528 PNQGSCSXQCQHDR-ZETCQYMHSA-N 308.457 3.189 10 10 DGCE C[C@@H](c1ccc(Cl)cc1O)N1CCN(C[C@@H](C)F)CC1 2203349759 ZQEFKOCDYIYBNC-NEPJUHHUSA-N 300.805 3.082 10 10 DGCE COc1ccc(N2CCC(=O)[C@H](C)[C@H]2C)c(Br)c1 2221625241 LCIRPTBZGBWIAM-NXEZZACHSA-N 312.207 3.262 10 10 DGCE CN(c1cc(Br)c(CN)cc1F)[C@@H]1C[C@@H]2C[C@@H]2C1 2222757334 URDSWCHOBVNYAO-JZYVYDRUSA-N 313.214 3.282 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN(C(=O)c2cocc2Br)C1 2258127565 JYMYVWFKWSDMPQ-MRVPVSSYSA-N 313.155 3.205 10 10 DGCE CC1=NN(c2ccccc2[N+](=O)[O-])C(=O)C1=Cc1cccs1 2294956838 NBCXHMGLHPGHAO-UHFFFAOYSA-N 313.338 3.462 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCC[C@@H]2CCNC[C@H]21 2290258007 CCSWVHKXPSKCGX-QMTHXVAHSA-N 315.244 3.273 10 10 DGCE Cc1ccc(CN2C[C@H](C)[C@@H](F)C2)c(O)c1Br 2307568197 BUCAWBKSULJNMC-ONGXEEELSA-N 302.187 3.253 10 10 DGCE CC(=O)N(C(=O)NC=Cc1ccccc1F)c1ccc(N)cc1 2325889865 QRHILXUNSZPXJB-UHFFFAOYSA-N 313.332 3.141 10 10 DGCE Cc1ccc(CNc2cnnc(F)c2)c(O)c1Br 2327584718 RHBKOMVYHNCQHF-UHFFFAOYSA-N 312.142 3.004 10 10 DGCE CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C\c1cccs1 20806263 FVGUTXVVJUFCJI-ZROIWOOFSA-N 312.350 3.252 10 10 DGCE CCCN[C@@](C)(CCCCSc1nccs1)C(=O)OC 45596448 HDOPBVQHIWXAMC-AWEZNQCLSA-N 316.492 3.337 10 10 DGCE Cc1nc2c(O)cccn2c1/N=N\c1cc([N+](=O)[O-])ccc1O 71601681 YPBCDQOTITUADE-MSUUIHNZSA-N 313.273 3.378 10 10 DGCE CCCCN1C(=O)C2(CCCCC2)N[C@H]1c1ccccc1O 78768460 RHRHCQHRSJYLCR-MRXNPFEDSA-N 302.418 3.326 10 10 DGCE COc1ccccc1[C@@H](O)CN[C@@H](C)c1ccc(N(C)C)cc1 130486623 WUYWUEFUSDNYGN-KSSFIOAISA-N 314.429 3.145 10 10 DGCE COCCNCc1ccc(N(C)[C@@H]2CCSC2)c(Cl)c1 163941848 FLWHUGUTUOOKHV-CYBMUJFWSA-N 314.882 3.018 10 10 DGCE C[C@H](C(=O)NCc1c(O)ccc2c1CCCC2)c1cccnc1 174077461 ZYXSKJUMIRILGF-ZDUSSCGKSA-N 310.397 3.086 10 10 DGCE CC[C@@H](NCc1cc(F)cc(C(C)=O)c1O)c1nccs1 185087711 NEXBPEMLOZMVNX-CYBMUJFWSA-N 308.378 3.431 10 10 DGCE C[C@@H](NC1CCC(Oc2cnccn2)CC1)c1ccccc1O 187206386 JMFNYWUQXFAFRO-WLYUNCDWSA-N 313.401 3.223 10 10 DGCE CC(C)(C)OC(=O)N[C@@H](CN=[N+]=[N-])COCc1ccccc1 202003761 GUNIDPYOECZUPN-ZDUSSCGKSA-N 306.366 3.407 10 10 DGCE CC(C)(C)OC(=O)N(CCNCc1cc(F)ccc1O)C1CC1 226590870 BPVBUDZJTWACKL-UHFFFAOYSA-N 324.396 3.020 10 10 DGCE COCCNCc1ccc(N(C)C(C)C)c(Br)c1 234645437 DAUWJRVAZUQIQW-UHFFFAOYSA-N 315.255 3.030 10 10 DGCE O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 246479500 NCAUGPXFALVZCP-WAARBJQMSA-N 310.441 3.195 10 10 DGCE C[C@H](NC1CC(F)(F)C1)c1ccc(N2CCOCC2)c(F)c1 277213565 WWMLJNMGHOTVCB-NSHDSACASA-N 314.351 3.111 10 10 DGCE OCCN(Cc1ccccc1)c1ccc(CNC2CC2)cc1F 302931965 GWFPDKRVEQHLNR-UHFFFAOYSA-N 314.404 3.077 10 10 DGCE Oc1ccc(F)cc1CN[C@@H](c1ccccc1)[C@H]1CCOC1 373142570 UEGOYOXEBRYIOQ-KSSFIOAISA-N 301.361 3.399 10 10 DGCE CN[C@@H]1C(=O)Nc2cc(N(Cc3ccccc3)C3CC3)ccc21 383565458 KZVGCPZFLHRALO-SFHVURJKSA-N 307.397 3.068 10 10 DGCE C[C@@H](COCc1ccccc1)N[C@@H](C)c1c(O)cccc1O 390550815 CCGPZEXYFMIREV-KBPBESRZSA-N 301.386 3.354 10 10 DGCE CCO[C@H]1CCN(c2ccc([C@H](C)O)cc2Br)C1 701706757 KKTKZWWFGOMBNO-JQWIXIFHSA-N 314.223 3.118 10 10 DGCE C[C@H](CN(C)C(=O)OC(C)(C)C)N[C@H](C)c1c(O)cccc1O 701923869 JYCWGUIVNGUCST-VXGBXAGGSA-N 324.421 3.004 10 10 DGCE O=C(NCCCSc1nccs1)N[C@@H]1C[C@H]2CC[C@H]1C2 759581836 MVAGHODFWMNPFX-SDDRHHMPSA-N 311.476 3.113 10 10 DGCE C[C@H](NC[C@H](O)c1cc(F)ccc1F)c1ccc(N(C)C)cc1 775838397 YEIXMIUVVOYVPY-SGTLLEGYSA-N 320.383 3.415 10 10 DGCE COc1cc(O)c(CN[C@H](c2cccnc2)C2CC2)cc1OC 776252410 CPGWFLXYXPWIIZ-SFHVURJKSA-N 314.385 3.045 10 10 DGCE O=C1/C(=C\c2cncnc2)SC(=S)N1c1ccc(F)cc1 781106417 LLSCMQFFHPFZPY-LFYBBSHMSA-N 317.370 3.022 10 10 DGCE Cc1ccc(O)c(CN=c2cc[nH]c(C)c2Br)c1 792692801 WRNRIJPXYSMSOS-UHFFFAOYSA-N 307.191 3.201 10 10 DGCE CC[C@@H]1C[C@@H](NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCO1 817165089 JIZWTKRUQUUMAT-UKPHBRMFSA-N 319.449 3.070 10 10 DGCE CN(C)c1ccc(/C=C/CNCC2(N)CCCCCC2)cc1 841041750 ADCIGGQTCNAZMV-BQYQJAHWSA-N 301.478 3.407 10 10 DGCE CCCN(CCC)c1ccc(CN[C@@H]2C=C[C@@H](C(=O)O)C2)cc1 841814154 QSVIFSHVWBGDCG-IAGOWNOFSA-N 316.445 3.432 10 10 DGCE C[C@H](NCC[C@]1(C)CC1(F)F)c1cc([N+](=O)[O-])ccc1O 850536902 OWAJJKFSTJJGKI-TVQRCGJNSA-N 300.305 3.386 10 10 DGCE CC[C@H](NCC12CC(CN1)C2)c1ccc(C(F)(F)F)cc1O 854226255 GMGBSEVKXQXUCL-IQYSWEBNSA-N 314.351 3.204 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)C(F)=C3CCCC3)C2)cc1 855233890 OQUGRQMQXQESOT-AWEZNQCLSA-N 318.392 3.188 10 10 DGCE CN(C)c1cc(F)c(CN2CC[C@]3(C2)CC3(F)F)cc1F 862403359 YVRDUMFNJSPECX-CQSZACIVSA-N 302.315 3.262 10 10 DGCE C[C@@H](NCc1nn(C)cc1C(F)F)c1cc(F)cc(F)c1O 866566040 WRLJRWYBRXKJIF-SSDOTTSWSA-N 317.286 3.192 10 10 DGCE C[C@H](NC(=O)NCC(C)(C)c1ccccn1)c1ccccc1O 868661172 FXUIXXPWSQJQHN-ZDUSSCGKSA-N 313.401 3.125 10 10 DGCE C[C@@H](CCCCC(=O)O)NC/C=C/c1ccc(N(C)C)cc1 903990912 FFDJBRIYYSYZNN-VFADXPBXSA-N 304.434 3.389 10 10 DGCE CC[C@@H](NCCOC1CCOCC1)c1cccc(Cl)c1O 927076375 GPTYPEBNNKCYGH-OAHLLOKOSA-N 313.825 3.282 10 10 DGCE C[C@@H](NC(=O)NCC[C@@H]1CCC2(CCC2)O1)c1ccccc1O 927748674 XOJPLQOLIDFEPH-KGLIPLIRSA-N 318.417 3.244 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2oc(=O)c3ccccc3c2C)c1 1167294073 XBDNVQQYSSATRP-UHFFFAOYSA-N 323.348 3.045 10 10 DGCE CO[C@@]1(C)C[C@@H](NCc2cc(F)cc(C(C)=O)c2O)C1(C)C 1170386295 NDGBCNBLAOQZRF-PBHICJAKSA-N 309.381 3.027 10 10 DGCE C[C@@H]1CN(Cc2cc(Br)cc(F)c2O)C[C@@H]1F 1235057836 URLSIQVNQZKZAA-HQJQHLMTSA-N 306.150 3.084 10 10 DGCE COc1ccc2[nH]c3c(c2c1)CCN(Cc1ccccc1O)C3 1262113429 NTNIJUMLXMHHAQ-UHFFFAOYSA-N 308.381 3.440 10 10 DGCE O=C(NCc1cccc(O)c1O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 1347541381 FPSBDIGBPNPVAO-BFHYXJOUSA-N 303.402 3.321 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCCCC2)cc1 1463630932 FJDTUHRPEMOORF-UHFFFAOYSA-N 324.424 3.462 10 10 DGCE Cc1cc(O)nc2cc(C(=O)N[C@H](C)c3ccccc3O)ccc12 1471195709 MGDDIEOYIXEMRM-GFCCVEGCSA-N 322.364 3.445 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)c2ccc3ccn(C)c3c2)c1 1595806242 DPDWJQRQBJXQCY-GFCCVEGCSA-N 324.380 3.384 10 10 DGCE Cc1ncc(/C=C\C(=O)NCc2cc(Cl)ccc2O)s1 1628680563 MXOUUIHTHFSJHD-HYXAFXHYSA-N 308.790 3.140 10 10 DGCE O=C(NCc1cc(O)ccc1O)[C@@H]1C[C@@]12CCCc1ccccc12 1644754025 OIAUGLWDCTVLOT-FXAWDEMLSA-N 323.392 3.008 10 10 DGCE CCc1nsc(N(C)Cc2ccc(N3CCCC3)cc2)n1 1651339034 CYVXVZRYMYWBJK-UHFFFAOYSA-N 302.447 3.337 10 10 DGCE Nc1ccc(CCNc2cc(Br)c(F)cc2N)cc1 1876395531 LQFUAERNSXTMRV-UHFFFAOYSA-N 324.197 3.407 10 10 DGCE CCc1nc(Br)cc(=N[C@H](C)c2ccccc2O)[nH]1 1877578186 JPUYYDWFYCGUEK-SECBINFHSA-N 322.206 3.102 10 10 DGCE [N-]=[N+]=NCCC[S@](=O)Cc1ccc(Br)cc1 1902023028 DZHFYIHVLZLSNB-INIZCTEOSA-N 302.197 3.398 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN(C(=O)c2cncc(Br)c2)C1 1912167576 MKDIEVIGDAKSOS-VIFPVBQESA-N 324.182 3.007 10 10 DGCE CC[C@H](O)CN(Cc1ccccc1)c1c(F)cc(CO)cc1F 1915098676 KIKFTDTYJYWELR-HNNXBMFYSA-N 321.367 3.235 10 10 DGCE Nc1ccc(CCCN(Cc2ccccc2)[C@H](CO)C2CC2)cc1 1915166800 SBYPFKBNBYGTFX-OAQYLSRUSA-N 324.468 3.475 10 10 DGCE C[C@H](C(=O)O)[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1927590255 IECGRIFELPFWOG-FZMZJTMJSA-N 322.405 3.039 10 10 DGCE CNCc1ccc(N2CC[C@@H](N(C)Cc3ccccc3)C2)cc1C 1946814382 GSVXDFFVXXWPQY-OAQYLSRUSA-N 323.484 3.425 10 10 DGCE Oc1cccc(Br)c1CNCC[C@H]1C[C@H](F)C1 1947700911 CPWCLTXZPNRAOL-MGCOHNPYSA-N 302.187 3.383 10 10 DGCE COC(=O)CC[C@@H](N)c1c(O)c(Cl)cc(Cl)c1Cl 1951662271 BMPCXBFVKIHXAL-SSDOTTSWSA-N 312.580 3.305 10 10 DGCE CC(=O)[C@H](CCCCc1ccc(N)cc1)NC(=O)OC(C)(C)C 1952711460 RRKDFRUKTNOABH-INIZCTEOSA-N 320.433 3.464 10 10 DGCE C[C@H]1CCN(C(=O)OC(C)(C)C)CCN1CCCCN=[N+]=[N-] 1962287878 OGHYSRCXZMTWMY-ZDUSSCGKSA-N 311.430 3.408 10 10 DGCE CN(CC[C@@H]1CCCO1)Cc1ccc(Br)cc1O 1972183943 LSMLUFXZKDJQAR-ZDUSSCGKSA-N 314.223 3.156 10 10 DGCE Cc1cccc(O)c1CNC[C@@H](C)CN(C)C(=O)OC(C)(C)C 1976875629 MKUWHXLYYQSWPC-CYBMUJFWSA-N 322.449 3.293 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@@H](Nc3ccc(N)cc3)C[C@H]21 1993721758 NRFBYXWHYCBWCP-AEAUEXCSSA-N 317.433 3.373 10 10 DGCE Cc1ccc(CN[C@@]23C[C@H]2CN(Cc2ccccc2)C3)c(O)c1 1994455846 CNECSZZLSOQOTR-AZUAARDMSA-N 308.425 3.065 10 10 DGCE C[C@@H]1[C@H](CNCc2cc(Br)cc(F)c2O)[C@@H]1C 1998463677 GTHDFMYZEPYAFU-AKZRSSKFSA-N 302.187 3.285 10 10 DGCE Oc1cccc(Br)c1CN1C[C@@H](F)C[C@@H](F)C1 2011406916 YEIHWYBXRIRBCX-DTORHVGOSA-N 306.150 3.037 10 10 DGCE Nc1ncccc1OCc1ncc(Br)cc1Cl 2012043386 FUZKGEPQTKEACQ-UHFFFAOYSA-N 314.570 3.054 10 10 DGCE C[C@]1(F)C[C@H](CNCc2cccc(Br)c2O)C1 2021325219 BHGJFDBQROVSJV-GMZHKTEUSA-N 302.187 3.383 10 10 DGCE CN(C[C@@H]1CC[C@@H]2C[C@H]21)c1ccc(CO)c(Br)c1 2040242401 YYHWZKYKSUBNAZ-UHIISALHSA-N 310.235 3.424 10 10 DGCE CNCc1ccc(N2Cc3ncsc3C2)cc1Br 2081617997 RITYWKNDMAVNPI-UHFFFAOYSA-N 324.247 3.145 10 10 DGCE NCc1ccc(N2CCC[C@@H]2C(F)(F)F)cc1Br 2083838963 PXPCMAJWFLLPFU-LLVKDONJSA-N 323.156 3.439 10 10 DGCE COc1cc(Cl)cc(CNC[C@H]2CC[C@@H](C)S2)c1O 2095313782 BORQLQXHWICITK-BXKDBHETSA-N 301.839 3.428 10 10 DGCE Cc1ccnc(CNCc2c(C)cccc2O)c1Br 2104513326 UHUGYDVBROPBRH-UHFFFAOYSA-N 321.218 3.456 10 10 DGCE CN1CCCc2cc([C@H](N)c3coc(Br)c3)ccc21 2106829313 VTCMNBXVTXNPBS-HNNXBMFYSA-N 321.218 3.473 10 10 DGCE Cc1ccc(CNCc2nn(C)c(Cl)c2Cl)c(O)c1 2139767685 PVMZAWAREINEGY-UHFFFAOYSA-N 300.189 3.031 10 10 DGCE C[C@H](N)c1ccc(N(CCO)Cc2cccs2)cc1Cl 2171101687 LNYFZDKGZWNVLM-NSHDSACASA-N 310.850 3.420 10 10 DGCE CCN[C@@H](C)c1ccc(N2CCOC[C@@H]2CF)cc1Cl 2182605686 OJOODNYZASFSTB-AAEUAGOBSA-N 300.805 3.185 10 10 DGCE CN[C@@H](C)c1ccc(N(C)[C@@H]2COCC2(F)F)cc1Cl 2197010944 HBWJGWPKBXQSEJ-TVQRCGJNSA-N 304.768 3.091 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@@H]1NC(=O)c1ncc(Cl)cc1Cl 2225795879 RIKCIBOZSZFMPU-IUCAKERBSA-N 300.149 3.350 10 10 DGCE Cc1c(Cl)nc(Cl)[nH]c1=NCc1ccc(N(C)C)cc1 2281515589 MTSGAKFOYGAGDA-UHFFFAOYSA-N 311.216 3.192 10 10 DGCE Cc1cc(O)c([C@H](C)N(C)[C@H]2CCOC[C@@H]2F)cc1Cl 2286459599 YHWYYUXRVMJPNX-BPNCWPANSA-N 301.789 3.474 10 10 DGCE COCC1(CNCc2c(O)cccc2Cl)CC(F)(F)C1 2295646204 YUKQAULJNOFGIM-UHFFFAOYSA-N 305.752 3.197 10 10 DGCE Cc1cc(O)c(C=C2SC(=S)N(C)C2=O)c(C)c1Cl 2297312249 GSFJGVKXBILFNU-UHFFFAOYSA-N 313.831 3.493 10 10 DGCE CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(O)cc1C 2297321288 NLNKMKLVCXVDQX-UHFFFAOYSA-N 307.353 3.419 10 10 DGCE Cc1ccc(CNc2c(C)nn(C)c2C)c(O)c1Br 2352683993 NBAQMNHJGKWHEW-UHFFFAOYSA-N 324.222 3.426 10 10 DGCE Cc1cc(CN)ccc1N(C)[C@H]1CCN(Cc2ccccc2)C1 309744716 XEFAVIABPXOECK-IBGZPJMESA-N 309.457 3.164 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)NCc1cccc(C)n1 108929019 HGIITXGUUBXIKU-UHFFFAOYSA-N 313.401 3.217 10 10 DGCE CCCN(Cc1cc(Br)ccc1O)[C@H]1CCOC1 311168858 ROTUYIPDTQUYCW-ZDUSSCGKSA-N 314.223 3.156 10 10 DGCE Cc1nn(C)c(C)c1CCCN[C@H](C)c1ccc(F)cc1O 186227684 AIVVHZRQAFQGHW-LLVKDONJSA-N 305.397 3.165 10 10 DGCE Cc1cc(O)ccc1/N=N\c1c(C(=O)O)nc2c(O)cccn12 71602020 XIVIDAQSYMSZKE-ZCXUNETKSA-N 312.285 3.168 10 10 DGCE CCO[C@@H]1C[C@@H](N[C@@H](C)c2ccccc2O)C12CCOCC2 186303254 KUIMHLMBYZODSV-IAOVAPTHSA-N 305.418 3.017 10 10 DGCE COc1cc(N)c(N2CCC[C@H](C(F)(F)F)C2)cc1OC 213774380 AZLSIQWJWCAMGZ-VIFPVBQESA-N 304.312 3.065 10 10 DGCE Oc1cc2c(cc1CN1CCCC[C@H]1c1nccs1)OCO2 195303216 OYAHZRCRSDBDRD-LBPRGKRZSA-N 318.398 3.305 10 10 DGCE Cc1nn(C)c(Cl)c1/C=C\C(=O)N1CCc2ccc(F)cc21 255120347 JNYXLECGGLTBMR-WAYWQWQTSA-N 319.767 3.124 10 10 DGCE COc1ccc(N2CCC(NC[C@@H]3CCC(C)(C)O3)CC2)cc1 364487569 REZPWYLWJUJJRA-SFHVURJKSA-N 318.461 3.211 10 10 DGCE Cc1ccc([C@H](C)NCc2cccnc2-n2ccnc2)c(O)c1C 273420051 RWIJFIJNOCXAEO-HNNXBMFYSA-N 322.412 3.441 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN(Cc2ncsc2Br)C1 2213763218 CUIBNRCSNICBGX-MRVPVSSYSA-N 316.228 3.428 10 10 DGCE C[C@@H](N[C@H]1CCc2nc[nH]c2C1)c1ccc2ccccc2c1O 368098639 CFXMXNDSBGWIHQ-OCCSQVGLSA-N 307.397 3.477 10 10 DGCE Cc1noc([C@@H]2CCCN2Cc2cc(Cl)cc(C)c2O)n1 289717686 GYVOYGUGEGBEMV-ZDUSSCGKSA-N 307.781 3.383 10 10 DGCE CCCN(Cc1ccccc1O)c1nc([C@@H](C)OC)ns1 800858393 JCMFEBNYYGKITI-LLVKDONJSA-N 307.419 3.368 10 10 DGCE O=[N+]([O-])c1cc(CNCCCCF)ccc1N1CCCCC1 812772112 IKJFVRUPEKDNSU-UHFFFAOYSA-N 309.385 3.424 10 10 DGCE CCO[C@@H]1C[C@H](N[C@@H](CC)c2ccccc2O)[C@H]1n1cccn1 815659380 AFYDAPWLTAHDGY-CWLKWCNXSA-N 315.417 3.048 10 10 DGCE C[C@H](N[C@@H](C)[C@H](C)N)c1cc(Br)cc(Cl)c1O 817977919 RLCBXDOUIJZAGX-FXQIFTODSA-N 321.646 3.194 10 10 DGCE CO[C@@H]1C[C@@H]2C[C@@H](NCc3ccc(N(C)C)cc3C)C[C@@H]2C1 818333620 YFXJQBMGWDKDRC-NFEGKLMCSA-N 302.462 3.354 10 10 DGCE CO[C@H](CCNCc1cc(Cl)c(C)cc1O)C(F)(F)F 825651442 IRELGAHFXJVIJJ-GFCCVEGCSA-N 311.731 3.411 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCC[C@@](O)(C3CC3)C2)cc1 827151695 IGLJGNMTAUVSHJ-JUGMSXHOSA-N 300.446 3.003 10 10 DGCE CCCN(CCC)c1ccc(CN[C@H](C(=O)O)C2CC2)cc1 841809030 ROKRSGGDLAZQGQ-KRWDZBQOSA-N 304.434 3.266 10 10 DGCE CCCN(CCC)c1ccc(CN[C@@H]2CCCN(C)C2=O)cc1 748242478 NIBWBANDWGWLSQ-GOSISDBHSA-N 317.477 3.023 10 10 DGCE CCc1cccc(CN2C[C@@H](C(F)(F)F)OC[C@@H]2C)c1O 848910150 HJLYIEHNGQMZRY-GWCFXTLKSA-N 303.324 3.106 10 10 DGCE COc1ccc(N2CC[C@H](Nc3ccccc3[N+](=O)[O-])C2)cc1 853758717 JREGKOQZMYXUNA-ZDUSSCGKSA-N 313.357 3.294 10 10 DGCE O=C(Nc1cccc(N2CCCC2)c1)c1cccc2nccnc12 754146263 IGNAKOOBNGGXQO-UHFFFAOYSA-N 318.380 3.482 10 10 DGCE COc1ccc2c(c1)C[C@@H](C(C)C)CN2CCc1nnc(C)o1 930754992 UECXXIXSLPNVAT-OAHLLOKOSA-N 315.417 3.264 10 10 DGCE C[C@H](NC(=O)N[C@@H]1CC(C)(C)OC1(C)C)c1ccccc1O 868483623 ZIJIXZMTYLGBCH-SMDDNHRTSA-N 306.406 3.099 10 10 DGCE CCOCc1cc(CN[C@]23CCC[C@H]2OCC3)ccc1OC 865858808 HWSZFHQFVMLNGU-MSOLQXFVSA-N 305.418 3.033 10 10 DGCE C[C@H](CC1CCC1)NCc1ccc(N2CCOCC2)c(F)c1 765119516 XVGCNAGLTSQRNZ-CQSZACIVSA-N 306.425 3.331 10 10 DGCE Oc1c(F)cc(Cl)cc1CN1CCC[C@H](n2ccnc2)C1 775674438 ARMWVOJQXXOQMM-ZDUSSCGKSA-N 309.772 3.218 10 10 DGCE CC[C@H](NC(=O)N[C@@H](C)c1cc(OC)ccc1O)C(F)(F)F 787310855 SFJVWNJXGFHSNB-UFBFGSQYSA-N 320.311 3.102 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H]2Cc2ccccc2)cc1 1137240288 XHWODARJKPPSGY-MRXNPFEDSA-N 322.368 3.306 10 10 DGCE COc1ccc(CNC(=O)c2cc(O)c3ccccc3c2)c(O)c1 794390039 FFUXHLDVMNRFPL-UHFFFAOYSA-N 323.348 3.190 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)[C@@H](F)Cc1ccccc1 1142728655 ZGKQVNDYDFLAED-INIZCTEOSA-N 324.355 3.137 10 10 DGCE O=C(N[C@@H](C1CCCCC1)C(F)(F)F)c1cccc(O)c1O 1148898512 DXOPNWCSRHDUED-ZDUSSCGKSA-N 317.307 3.339 10 10 DGCE CN(C)c1ccc(CN2CC[C@@H](N(C)c3ccccc3)C2)cc1 1307968880 LTXPTDNAHCCFHZ-HXUWFJFHSA-N 309.457 3.463 10 10 DGCE C[C@@H]1O[C@H](C)[C@@H](C(=O)NCc2c(O)ccc3ccccc23)[C@@H]1C 1157050341 DZOMRVWLSMDLNI-WLHTULFXSA-N 313.397 3.221 10 10 DGCE Cc1ccc2nc(C(=O)NCc3c(O)cccc3F)ccc2c1 1303875211 CYUYGJFLMKEQGI-UHFFFAOYSA-N 310.328 3.318 10 10 DGCE C[C@H]1C[C@H](NCc2cccc(F)c2O)CN1Cc1ccccc1 398031703 NOEVXENWKLXTEP-YOEHRIQHSA-N 314.404 3.284 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CO[C@@H](C3CC3)C2)cc1 1287542657 OTPJOLFWBCELFF-PKOBYXMFSA-N 324.424 3.391 10 10 DGCE CC(C)N(C)c1ccccc1NC(=O)Cc1ccc(O)c(O)c1 1448186941 OAQWVMJABLPAAB-UHFFFAOYSA-N 314.385 3.124 10 10 DGCE CCc1csc(NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n1 1458681116 LAHQOQQVPSOMBN-INIZCTEOSA-N 318.490 3.486 10 10 DGCE COc1cc(Cl)cc(C(=O)NCc2cc(C)ccc2O)c1 1453648524 JMTLJVXLNXACKL-UHFFFAOYSA-N 305.761 3.293 10 10 DGCE C[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C(C)(C)C 1537484511 WXPKUGSCNQOJDN-YOEHRIQHSA-N 319.493 3.154 10 10 DGCE CC[C@@H]1OCC[C@H]1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1531706356 RHCUKZBAKRCKFY-MSOLQXFVSA-N 316.445 3.060 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)/C=C\C=C(Cl)Cl)c1 1545684263 QDBIBKGTRACJBF-AZVKUDOFSA-N 316.184 3.453 10 10 DGCE CCCN1CCC[C@@H](C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 1633315054 CXUDOHRQHCJUML-DOTOQJQBSA-N 317.477 3.052 10 10 DGCE CCCCCC[C@H](O)CCC(=O)N1Cc2cccc(O)c2C1 1636230935 KQYNRBQMZNCJLV-HNNXBMFYSA-N 305.418 3.346 10 10 DGCE O=C(O)C=Cc1ccc(N2C[C@H]3CC[C@H]3C2)c(Br)c1 1912132986 VVVMPSGBELJAIZ-TXEJJXNPSA-N 322.202 3.393 10 10 DGCE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CC(N=[N+]=[N-])C1 1912184533 FVUZFOBKEBKDPG-SSDOTTSWSA-N 315.160 3.282 10 10 DGCE CC(C)[C@@H]1C[C@@H](N2CCCC2)CN1Cc1ccc(N(C)C)cc1 1648591425 LDGVNOFIRZHVHX-UXHICEINSA-N 315.505 3.447 10 10 DGCE Cc1ncsc1/C=C\C(=O)N1CCOc2c(F)ccc(F)c21 1586681639 IARVWTBIWBZRNH-PLNGDYQASA-N 322.336 3.169 10 10 DGCE C=COc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2O)cc1 1664970238 JQMICPJVENGYBL-UHFFFAOYSA-N 316.313 3.443 10 10 DGCE O=C(NCc1c(O)cccc1O)[C@H]1CCC[C@H](C(F)(F)F)C1 1597568900 KEGUFMOPBPINCA-UWVGGRQHSA-N 317.307 3.083 10 10 DGCE CN(C[C@H]1CCCOC1)c1ccc(/C=C/C(=O)O)cc1Cl 164386711 BPEIMQVPDJGHQA-VUDGCMKMSA-N 309.793 3.301 10 10 DGCE CCCOc1c(/C=C2/C(=O)N(C)N=C2CC)cccc1OC 1865668699 LDMFMNOMKABVKL-ACCUITESSA-N 302.374 3.105 10 10 DGCE CCCN[C@@H]1CC[C@H](COC)C[C@@H]1Sc1nccs1 1918882068 QUBXXATZJNAMEN-XQQFMLRXSA-N 300.493 3.419 10 10 DGCE O=C(OCc1ccccc1)N1CC(Sc2nccs2)C1 1923195647 IMHVOKBFFHSNJF-UHFFFAOYSA-N 306.412 3.256 10 10 DGCE CN[C@@H](c1ccccc1O)[C@@H](C)N(C(=O)OC(C)(C)C)C1CC1 1936981518 APIRAYYYJJUXPM-MLGOLLRUSA-N 320.433 3.441 10 10 DGCE C[C@@H]1CC[C@@H]([C@@H](N)c2ccccc2O)CN1C(=O)OC(C)(C)C 1936967498 HXTWXBLBYQAQAU-XJKCOSOUSA-N 320.433 3.428 10 10 DGCE CC(C)(C)OC(=O)NC[C@H](C1CCC1)[C@@H](N)c1ccccc1O 1936986489 IKUWWBCVGVVHFZ-ZBFHGGJFSA-N 320.433 3.333 10 10 DGCE CN(C)c1ccc([C@H]2C(=O)CCN2C(=O)OC(C)(C)C)cc1 1951799407 PVSPFHAQJSZOOH-HNNXBMFYSA-N 304.390 3.004 10 10 DGCE CC(C)(C)OC(=O)N1CCC(F)(F)[C@H]1c1cc(N)ccc1O 1953059220 WZVXOLZFAQFVTG-GFCCVEGCSA-N 314.332 3.292 10 10 DGCE CN(Cc1ccc(Br)cc1O)[C@H]1CCOC1(C)C 2036282345 XRAGCFUOQYUZBR-ZDUSSCGKSA-N 314.223 3.154 10 10 DGCE CCN(CCCCO)c1ccc([C@@H](C)N)cc1Br 2041181187 SQEHYBGTJWSVIK-LLVKDONJSA-N 315.255 3.068 10 10 DGCE Cc1cc(S(=O)(=O)N2CCC[C@H](N=[N+]=[N-])C2)sc1Cl 403683646 VNCXCXYVWJPZQN-QMMMGPOBSA-N 320.827 3.173 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CC[C@@H]2CNC[C@@H]2CC1 312787109 IMPMJBBWVCGCRE-PHIMTYICSA-N 315.244 3.130 10 10 DGCE CCN(C(=O)/C=C\c1cnn(C)c1C)c1ccc(F)c(F)c1 254941955 DGXFQMLYDGSJHJ-YVMONPNESA-N 305.328 3.073 10 10 DGCE COc1cccc(Cn2nc(C3(C)CC3)c(C(C)C)c2N)c1O 2079715321 CEFXBZANEABNJQ-UHFFFAOYSA-N 315.417 3.403 10 10 DGCE C[C@@H](NC(=O)c1ccc(Br)o1)c1ccccc1O 1632246163 CFGGRYBBHFCCJK-MRVPVSSYSA-N 310.147 3.239 10 10 DGCE C[C@@H](O)c1cc(F)c(N2CC[C@@H](P(C)(C)=O)C2)c(F)c1 2194517895 MRZHJPMZOSJZOM-MWLCHTKSSA-N 303.289 3.220 10 10 DGCE COc1cc2c(cc1OC)N(Cc1ncsc1Cl)CC2 2195983253 LMKOCXHNGZYYRM-UHFFFAOYSA-N 310.806 3.376 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@@H](F)C[C@@H](F)C2)c(Br)c1 2062397289 SYBHGMCEHGPDDA-IEBDPFPHSA-N 320.177 3.389 10 10 DGCE CCNCc1ccc(N(C)C[C@@H]2C[C@H]2F)c(Br)c1 2068042221 AQRAQIQGKDXUFO-WCQYABFASA-N 315.230 3.353 10 10 DGCE CN(c1ccc(CO)c(Br)c1)[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2 2070849557 RZPHCLSVHTWWAA-USTATANYSA-N 308.219 3.032 10 10 DGCE Nc1ccc(OCCCN2CCC(Cl)=C(Cl)C2)cc1 2097294002 AEDNQUIMUKQTTH-UHFFFAOYSA-N 301.217 3.433 10 10 DGCE COc1ccc(Br)c(CNOCCC(C)C)c1O 2220462525 MSYZGNXOAYMMTA-UHFFFAOYSA-N 318.211 3.231 10 10 DGCE Oc1cc(Cl)ccc1CN1CC[C@H](OC(F)(F)CF)C1 2238817819 PCZRADQIZASSQQ-NSHDSACASA-N 309.715 3.199 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@H](F)[C@@H]1CCOC1 2229990708 VJZLSDLPDDRXMI-PELKAZGASA-N 308.180 3.163 10 10 DGCE Cc1cc(N2CC(N(C)Cc3ccccc3)C2)ccc1[C@@H](C)N 2243957670 ABUGEWOMRDUBQC-MRXNPFEDSA-N 309.457 3.335 10 10 DGCE O=C1C(=Cc2ccccn2)SC(=S)N1[C@H]1C[C@H]2CC[C@H]1C2 2296522320 AGXTXWJTLIWVMF-GVXVVHGQSA-N 316.451 3.471 10 10 DGCE Cc1ncsc1C=CC(=O)N1C[C@H](C)Oc2c(F)cccc21 2310110061 VEXFEFIYSDJMRN-JTQLQIEISA-N 318.373 3.418 10 10 DGCE CCCN[C@](CO)(CCC1CC1)CSc1nccs1 2340708380 ZHEKYISJEHAXSY-AWEZNQCLSA-N 300.493 3.156 10 10 DGCE COc1ccc(CNCc2cccs2)cc1Cn1ccnc1 9740745 TYQKAENRODXYJO-UHFFFAOYSA-N 313.426 3.291 10 10 DGCE C[C@H](c1ccncc1)N1CCN(c2ccc(CN(C)C)cc2)CC1 71702718 DLCKSWQGESDYNN-QGZVFWFLSA-N 324.472 3.026 10 10 DGCE COc1ccc(CNC(C)C)cc1Cn1ncc(Cl)c1C 80010288 HIHQSKNCMMPLQQ-UHFFFAOYSA-N 307.825 3.400 10 10 DGCE CNCc1ccc(OC)c(C[S@](=O)[C@H]2CCC[C@@H](C)C2)c1 81996023 AJOYMICYHKPVDF-ZQWRNJAYSA-N 309.475 3.242 10 10 DGCE CCOc1ccc(O)c(CN2CCCC[C@H]2c2cn[nH]c2)c1 93438415 SLVTWTJWFBHNRL-INIZCTEOSA-N 301.390 3.241 10 10 DGCE [N-]=[N+]=NCCOc1cc(F)c(Br)cc1[N+](=O)[O-] 236146653 JMKGRKGHSYVNHU-UHFFFAOYSA-N 305.063 3.186 10 10 DGCE COc1ccc(CN2C[C@@H](C)O[C@H](c3ccsc3)C2)c(O)c1 245765204 QQVNGRONYUBBQB-PXAZEXFGSA-N 319.426 3.424 10 10 DGCE Cc1cccc(Br)c1C(=O)NCc1ccc(N)cc1 311882020 YOVVMKFDZTVYNE-UHFFFAOYSA-N 319.202 3.270 10 10 DGCE CSCCCN(C)c1c(F)cc(/C=C/C(=O)O)cc1F 380054183 SDEFFFSMNBSZLQ-SNAWJCMRSA-N 301.358 3.252 10 10 DGCE CCOc1cccc(CNCCCOCc2ccccc2)c1O 390108724 VLQQXPHATOZYNW-UHFFFAOYSA-N 315.413 3.487 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)Cc2ccc(Br)cc2)C1 403686888 WWROSCZAPYNHLS-GFCCVEGCSA-N 323.194 3.293 10 10 DGCE NCc1ccc(N(CC(F)F)CC2CC2)c(Br)c1 688173528 GOSICZZXMKTLGW-UHFFFAOYSA-N 319.193 3.389 10 10 DGCE CCN(Cc1ccc(Br)cc1O)[C@H](C)COC 691778325 FHWNVRCXKYFSQS-SNVBAGLBSA-N 302.212 3.012 10 10 DGCE COC[C@H]1CCCN1c1ccc([C@@H](C)O)c(Br)c1 696589492 KBJZXAHJCUCBBD-ZYHUDNBSSA-N 314.223 3.118 10 10 DGCE Cc1ccc(O)c(CN[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)c1 704617409 BRBFAOPUNSCINB-DZGCQCFKSA-N 320.433 3.188 10 10 DGCE C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@@]1(C)C(=O)O 710280057 REIPCLLIEAQNGM-RMLUDKJBSA-N 318.200 3.242 10 10 DGCE NCc1ccc(N2CCC[C@H](CF)C2)cc1Br 711476709 NXIPOEAOCTWUTQ-SNVBAGLBSA-N 301.203 3.094 10 10 DGCE Oc1c(Cl)cccc1CNC[C@H]1CC[C@@H](C(F)(F)F)O1 722402960 BEDZYTSKWWQFQT-KOLCDFICSA-N 309.715 3.245 10 10 DGCE Cc1c(Br)cncc1NCc1ccc(O)c(O)c1 722721921 KBYMFDWUHIAWIL-UHFFFAOYSA-N 309.163 3.176 10 10 DGCE CCC[C@H](C)N(C)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] 733187208 LWNHXYIWIWLMCE-CUZBXDDWSA-N 306.362 3.406 10 10 DGCE C[C@H]1CC(C)(C)C[C@](CO)(NCc2ccc(N(C)C)cc2)C1 740008163 XIXXBRLXGAOQCM-HNAYVOBHSA-N 304.478 3.420 10 10 DGCE O=C(NCc1ccccc1O)[C@H]1C[C@H]1c1cc(F)ccc1F 743326723 HTGUCGRJFKRRHG-JSGCOSHPSA-N 303.308 3.090 10 10 DGCE CN(C)c1ccc(CNC(=O)N[C@@H](c2cccnc2)C2CC2)cc1 758552994 BOLUFNLTAQUWNO-GOSISDBHSA-N 324.428 3.098 10 10 DGCE CN(C)c1ccc(CN(C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 768246621 YULWIIHOJASWKK-OAQYLSRUSA-N 323.484 3.459 10 10 DGCE COc1ccc(O)c(CN(C)[C@@H](C)[C@H]2Cc3ccccc3O2)c1 775740557 OBKGHFFBPHAGCQ-ORAYPTAESA-N 313.397 3.225 10 10 DGCE CC(C)CC[C@@](C)(O)CNCc1cc(Cl)cc(F)c1O 776209560 ZQIVNCOIFFIZRE-OAHLLOKOSA-N 303.805 3.462 10 10 DGCE Cc1oc(C2CC2)nc1C(=O)N(C)Cc1ccc(N(C)C)cc1 794853341 LISOFBYIHMSVBQ-UHFFFAOYSA-N 313.401 3.199 10 10 DGCE CN(C)c1ccc(/C=C/CN2CC[C@]3(CCCOC3)C2)cc1 835049013 DLKVQZJVBHRLIL-MEDHRJKHSA-N 300.446 3.268 10 10 DGCE CN(C)c1ccc(/C=C\CNc2ccc(C3(O)COC3)cc2)cc1 835054733 XTGQLDRICYCDFT-ARJAWSKDSA-N 324.424 3.096 10 10 DGCE COc1cccc([C@H](C)NCCN2[C@H](C)CCC[C@H]2C)c1O 846147242 UXVCLEOQQLZAPD-KFWWJZLASA-N 306.450 3.314 10 10 DGCE OC1CCN(c2ccc(CN[C@H]3CCCC34CCC4)cc2)CC1 850568352 WCEHBBRSYGIXAU-IBGZPJMESA-N 314.473 3.460 10 10 DGCE COCc1ccc(NCc2cc(C)cc(OC)c2O)cc1OC 895410522 HXGGSEGWDSIARX-UHFFFAOYSA-N 317.385 3.476 10 10 DGCE Cc1cc(O)c(CNC2(c3ncccn3)CCC2)cc1Cl 895624232 XXFXONIGHOJSNZ-UHFFFAOYSA-N 303.793 3.313 10 10 DGCE COC[C@@H](CNC1CCN(c2ccc(OC)cc2)CC1)C(C)C 922948471 YTSDAHQENGQFDY-MRXNPFEDSA-N 320.477 3.172 10 10 DGCE Cc1ccncc1/C=C/C(=O)N1CCOc2cc(F)c(F)cc21 1130407407 DOQUWQYOPYFDER-NSCUHMNNSA-N 316.307 3.107 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)Nc1cncc2c1CCCC2 1147248665 UAMXPFZAWXZQRQ-SOFGYWHQSA-N 310.353 3.024 10 10 DGCE C/C(=C/c1cccnc1)C(=O)N1CCN(C)c2ccc(F)cc21 1354709432 OMYJWAPUFGWIRF-RAXLEYEMSA-N 311.360 3.107 10 10 DGCE O=[N+]([O-])c1c(NCc2c(O)cccc2O)ccc2cnccc12 1643226141 OTJSWGUBVJUCER-UHFFFAOYSA-N 311.297 3.166 10 10 DGCE CCC1=NN(Cc2ccccc2F)C(=O)/C1=C/c1ccccn1 1865672541 CZDKRHIMHQIKJR-RVDMUPIBSA-N 309.344 3.413 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H]([C@H](N)c2ccccc2O)[C@@H]2C[C@@H]21 1902970805 CURFHTCFLVZWOM-PCBIJLKTSA-N 318.417 3.038 10 10 DGCE CO[C@@H]1CCN(Cc2cc(Br)ccc2O)C1(C)C 1914319589 LEQMZOZOBFADBM-CYBMUJFWSA-N 314.223 3.154 10 10 DGCE C[C@H](CCO)N(Cc1ccccc1)c1ccc(CN)c(F)c1F 1915388802 RFBWDLJTVZOHCD-CYBMUJFWSA-N 320.383 3.201 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CCC[C@@](N)(c2ccccc2O)C1 1933867308 RZDBLMXPWNEMRY-SJCJKPOMSA-N 306.406 3.014 10 10 DGCE C[C@@H](N(C)c1ccc(CN)c(Br)c1)C(F)(F)F 1946325689 QIYMPIKNAUWFSM-SSDOTTSWSA-N 311.145 3.295 10 10 DGCE CN(C)c1ccc([C@@H]2CC(=O)CN2C(=O)OC(C)(C)C)cc1F 1951981775 CXJAADRMBVBVDP-HNNXBMFYSA-N 322.380 3.143 10 10 DGCE CN(C)c1ccc([C@H]2CCN(C(=O)OC(C)(C)C)CCN2)cc1 1951983982 RNLBNMYSRRDIDG-MRXNPFEDSA-N 319.449 3.024 10 10 DGCE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@](N)(c2ccccc2O)C1 1976462081 KNITYDMILSGGFN-FZKQIMNGSA-N 320.433 3.213 10 10 DGCE CCCN(C[C@@H](O)c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C 1977937519 CGOKLDZJXYHFQL-MRXNPFEDSA-N 322.449 3.433 10 10 DGCE Cc1ccc([C@H](C)NC[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)c(O)c1 1978009213 PJBIHHPMSUBBQV-KCQAQPDRSA-N 320.433 3.264 10 10 DGCE CC(C)CN(Cc1ccccc1)C(=O)c1cc(O)c(O)c(O)c1 1988122027 BPDRZDBQYUDNKF-UHFFFAOYSA-N 315.369 3.102 10 10 DGCE CC(C)(C)OC(=O)N1[C@H](COc2ccc(N)cc2)[C@H]2CC[C@@H]1C2 1992467926 GCACOLVIEUNYNA-JGGQBBKZSA-N 318.417 3.436 10 10 DGCE COc1ccc([C@@H](C)NCC2(Br)CCC2)c(O)c1 2049203791 FDROPCWIDFIVMS-SNVBAGLBSA-N 314.223 3.369 10 10 DGCE CN(Cc1ccc(Br)cc1O)C1(C)CCOCC1 2054618957 IITAIPZPMPCMIF-UHFFFAOYSA-N 314.223 3.156 10 10 DGCE CCc1nc2c(C)csc2c(=NCc2c(O)cccc2O)[nH]1 2063076359 QJZHQNKEQZIBCO-UHFFFAOYSA-N 315.398 3.007 10 10 DGCE COc1ccc([C@@H]2C[C@H]2CC(=O)Nc2ccc(O)c(O)c2)cc1 2063504137 NHDOTXMPUJOHLS-WFASDCNBSA-N 313.353 3.239 10 10 DGCE CNCc1cc(CC(C)C)nn1[C@@H](C)c1ccc(F)cc1O 2070058775 PGPFOTWRQBPQJV-LBPRGKRZSA-N 305.397 3.255 10 10 DGCE Cc1cc(O)c([C@@H](n2nc(C)c(CN)c2N)C(C)(C)C)cc1C 2079945821 MHBMUPDZZNSROQ-MRXNPFEDSA-N 316.449 3.190 10 10 DGCE Cc1cc(N2C[C@@](C)(F)[C@](C)(Br)C2)ccc1CN 2084851522 JOFCMMOWSXYSQE-ZIAGYGMSSA-N 315.230 3.156 10 10 DGCE CCOP(=O)(CCN1CCC[C@@H](N=[N+]=[N-])CC1)OCC 2155559238 VTWUYQRSKVLGGE-GFCCVEGCSA-N 304.331 3.417 10 10 DGCE CN[C@H](c1ccc(N(C)C)cc1)[C@@H](O)c1ccsc1Cl 2163134541 ZSWPEVISZZGQHG-KGLIPLIRSA-N 310.850 3.462 10 10 DGCE C[C@@H](O)c1ccc(N(C)Cc2ncc(Cl)n2C)cc1Cl 2166116003 WPXDKJDADCCZTF-SECBINFHSA-N 314.216 3.417 10 10 DGCE CP1(=O)CCN(c2ccc(CNC3CC3)c(Cl)c2)CC1 2171990009 KIVGUQZSZOPMSV-UHFFFAOYSA-N 312.781 3.405 10 10 DGCE CCCN[C@@H]1C[C@H]2[C@H]([C@@H]1Sc1nccs1)[C@H]1CC[C@H]2O1 2174471533 JZODNNROURATBB-UCKQBZRPSA-N 310.488 3.169 10 10 DGCE CC(C)N1C[C@@H]2C[C@H]1CN2Cc1cc(Cl)cc(Cl)c1O 2187560874 VELFSUQNWSTAHU-STQMWFEESA-N 315.244 3.366 10 10 DGCE C[C@@H](O)CN(Cc1ccccc1)c1ccc2c(c1)OC(F)(F)O2 2210829586 LVSSNGABRQTPAG-GFCCVEGCSA-N 321.323 3.396 10 10 DGCE COc1ccc(Br)c(CNC[C@]2(F)C[C@H]2C)c1O 2220462261 JCWJFSISTQENRN-AMIZOPFISA-N 318.186 3.001 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@H]1NC(=O)Cc1ccc(Br)cc1 2225796871 AYYCGVQOYYXQKG-NEPJUHHUSA-N 323.194 3.339 10 10 DGCE COc1ncc(CN(C)c2ccc([C@H](C)O)cc2Cl)s1 2239979926 YRIXLAGBNSMPEQ-VIFPVBQESA-N 312.822 3.495 10 10 DGCE CC=CC=CC(=O)NCc1ccc(C)c(Br)c1O 2327586257 LNTXRSPPXUYESN-UHFFFAOYSA-N 310.191 3.212 10 10 DGCE O=C1/C(=C/Nc2cccc(O)c2)SC(=S)N1C1CCCC1 102676301 RWMHUCWCZQHIGK-LCYFTJDESA-N 320.439 3.448 10 10 DGCE CC(C)[C@H](C(=O)Nc1ccc(N)cc1)N(C)Cc1ccccc1 62461206 ZWCODFWSJDIDBP-GOSISDBHSA-N 311.429 3.364 10 10 DGCE [N-]=[N+]=NCCCCNC(=O)Cc1ccc(Br)cc1 231730481 UGAPHBPTIDZERL-UHFFFAOYSA-N 311.183 3.198 10 10 DGCE Cc1cc(NS(=O)(=O)c2c(F)cccc2Cl)ccc1O 126300781 JCEXSBXBPQIAPI-UHFFFAOYSA-N 315.753 3.294 10 10 DGCE CN(C)c1ccc(CN(CCCCN)C(=O)OC(C)(C)C)cc1 136729005 NJBHFBLJPYGCDQ-UHFFFAOYSA-N 321.465 3.229 10 10 DGCE COc1ccc(CNC2CC2)cc1CSc1nnc(C)s1 81873875 FWKRHJUOOFAADV-UHFFFAOYSA-N 321.471 3.399 10 10 DGCE C[C@H]1CC(C(=O)NCc2c(O)ccc3c2CCCC3)C[C@H](C)O1 92764523 DXFKOZZQWFKVFB-STQMWFEESA-N 317.429 3.091 10 10 DGCE Cc1nc(Br)ccc1NCc1cccc(O)c1O 235809170 MWVPEVCWGVYIEE-UHFFFAOYSA-N 309.163 3.176 10 10 DGCE C[C@H](CO[C@@H]1CCOC1)N[C@H](C)c1cc2c(cc1O)CCCC2 248482828 CFHCFJITWLJPTD-CKEIUWERSA-N 319.445 3.116 10 10 DGCE COc1cc(Cl)cc(CNC[C@@H]2C[C@H]2C(C)(F)F)c1O 2164440163 BLLZLHHASSRRCK-GZMMTYOYSA-N 305.752 3.435 10 10 DGCE CC(=O)NC1CCC(N[C@H](C)c2c(C)cc(C)cc2O)CC1 293594511 FSCFFZVKQWUDMT-IUDNXUCKSA-N 304.434 3.107 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)CCOCC1CC1 801550970 FWMAJEXWCIKEIU-UHFFFAOYSA-N 305.418 3.338 10 10 DGCE CC(=O)C(=O)COC(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C 808516498 GQQSXCWCXBFCBE-UHFFFAOYSA-N 316.397 3.351 10 10 DGCE O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(F)s1 821843467 SAXXRIIPWBYWDX-UHFFFAOYSA-N 304.390 3.417 10 10 DGCE Cc1ccc(O)c([C@H](C)N[C@@H]2CCCc3c2ccc(=O)n3C)c1 846215079 JZQSAQDDUNWBOO-XJKSGUPXSA-N 312.413 3.128 10 10 DGCE Cc1cn(C)nc1CN(Cc1ccc(N(C)C)cc1)C(C)C 929294361 CLPGHKWHIIOTEO-UHFFFAOYSA-N 300.450 3.205 10 10 DGCE COc1ccc(N2CC[C@@H](NCc3ccncc3Cl)C2)cc1 858187418 UMARLNCWMPHFRS-CQSZACIVSA-N 317.820 3.112 10 10 DGCE COC[C@@H](CCN[C@@H](C)c1cc(Cl)c(Cl)cc1O)OC 850485375 GOWMLXSDYWSEOU-VHSXEESVSA-N 322.232 3.401 10 10 DGCE O=[N+]([O-])c1ccc(O)c(CN[C@H](c2ccccn2)C2CCC2)c1 858239709 VQHPPAOMKNBDFW-KRWDZBQOSA-N 313.357 3.326 10 10 DGCE COc1ccc(O)c([C@@H](C)Nc2cnn(-c3ccncc3)c2)c1 756867895 NBLUGQXAXGCDSA-GFCCVEGCSA-N 310.357 3.155 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 862025249 QDEMVLKJERYZSJ-DVOMOZLQSA-N 308.381 3.159 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCO[C@@](C)(C(F)F)C2)cc1 1118674092 IMXSCMXRMBYBSG-VGOKWCNXSA-N 310.388 3.122 10 10 DGCE c1cc2c(cc1CN[C@@H]1CCCCC13CCNCC3)CCO2 873232979 UZHYLXRCPSNOTQ-GOSISDBHSA-N 300.446 3.024 10 10 DGCE CO[C@@H](C)CN(C(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(C)C 776237585 CFQYQBUFBWKKNL-LSDHHAIUSA-N 321.465 3.269 10 10 DGCE C[C@@H](NC1(C(=O)Nc2ccccc2)CC1)c1ccc(F)cc1O 779082175 JVHABXLOSNWMBE-GFCCVEGCSA-N 314.360 3.353 10 10 DGCE C[C@H]1[C@H](C)C[C@@H](C)CN1C(=O)NCc1ccc(N(C)C)cc1 788690279 HYTKCSUDOSMQSI-KFWWJZLASA-N 303.450 3.329 10 10 DGCE Cc1ccc(CCCNC(=O)c2ccc(C)c(O)c2O)c(C)c1 1135668986 VNFJQXAETNUTCS-UHFFFAOYSA-N 313.397 3.386 10 10 DGCE CCOc1cccc(CN[C@H](C)COCc2ccccc2)c1O 390603922 ZULVKHKFNWTBCZ-OAHLLOKOSA-N 315.413 3.486 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CN(CCCN=[N+]=[N-])CC12CCC2 1962299413 MUMADNLRDGNCPG-LBPRGKRZSA-N 309.414 3.066 10 10 DGCE C[C@H](N)c1ccc(N2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1 705963652 TXTXZAIGMNGUTO-PWIZWCRZSA-N 321.468 3.275 10 10 DGCE CNC[C@@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1O 63166538 RZTDCJJKLUTTSC-LBPRGKRZSA-N 303.233 3.273 10 10 DGCE CC(=O)NC1=NC(=O)C(=Cc2ccc(Cl)c(Cl)c2)S1 2294009794 AMDLSARQEFZWIX-UHFFFAOYSA-N 315.181 3.100 10 10 DGCE Cc1ccc(C(=O)NC[C@@H]2CSc3ccccc32)c(O)c1O 1468353900 YMOQIQGSCVEOCM-LLVKDONJSA-N 315.394 3.026 10 10 DGCE CC[C@H](C)CC(=O)N[C@H]1C[C@@H](NCc2ccc(OC)c(C)c2)C1 1480201317 JSTGPLVIRIPAHZ-RRQGHBQHSA-N 318.461 3.177 10 10 DGCE Cc1nnc(N(C)Cc2ccccc2O)n1[C@@H]1C[C@H]1C(C)C 1742755224 ZOOKQFOVXCYXMQ-LSDHHAIUSA-N 300.406 3.146 10 10 DGCE Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](CN=[N+]=[N-])C2)s1 1912196880 YYBQBWDOGQZQAI-LLVKDONJSA-N 314.436 3.076 10 10 DGCE COc1ccc(N2CCN(C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)cc1F 1653749225 GWWRUQHCANYGPH-OWCLPIDISA-N 318.436 3.393 10 10 DGCE CN(CCO)c1ccc(CNC(C)(C)C)cc1C(F)(F)F 163681740 RVXBHQOTUNYSKW-UHFFFAOYSA-N 304.356 3.022 10 10 DGCE CCCOc1ccc(CN2CCO[C@@H]3CCCC[C@@H]32)c(O)c1 156001742 YOQVHHIJAYMYOZ-FUHWJXTLSA-N 305.418 3.324 10 10 DGCE CCC1=NN(c2ccccn2)C(=O)/C1=C/c1cc(C)ccc1O 1865665615 CWHMBQVBSBUZKM-SDNWHVSQSA-N 307.353 3.292 10 10 DGCE Cc1ccc(CNCC2(Cl)CC2)c(O)c1Br 1905142424 KOZUMGCNYFMHEO-UHFFFAOYSA-N 304.615 3.324 10 10 DGCE CC[C@](C)(NC(=O)OC(C)(C)C)[C@H](NC)c1ccccc1O 1928465189 MTYMTKXBYBWSSN-PBHICJAKSA-N 308.422 3.346 10 10 DGCE CC(C)(C)OC(=O)N[C@H](CC1CC1)[C@@H](N)c1ccccc1O 1928471611 WBRGDAYEDMLWJJ-HIFRSBDPSA-N 306.406 3.085 10 10 DGCE CN(CC[C@@H]1CCCO1)Cc1c(O)cccc1Br 1972191879 GOPAIFFZFHVTBT-NSHDSACASA-N 314.223 3.156 10 10 DGCE CN(C)c1ccc([C@@H](O)[C@@]2(C)CCN2C(=O)OC(C)(C)C)cc1 1977938906 MJBFZBRPYSJFGY-CRAIPNDOSA-N 320.433 3.186 10 10 DGCE CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H](N)c1ccc(N(C)C)cc1 1977946104 SRFZHPGJSCBZKY-BBRMVZONSA-N 321.465 3.398 10 10 DGCE Cc1cccc(NS(=O)(=O)Cc2ccc(N)cc2)c1Cl 380445736 OTDAXXDKZQEERW-UHFFFAOYSA-N 310.806 3.173 10 10 DGCE CCN(C[C@H](C)OC)c1ccc([C@H](C)N)c(Br)c1 383208793 IZHRWIREQGKTMR-QWRGUYRKSA-N 315.255 3.330 10 10 DGCE Cc1cc(Br)cc(CN2CCC[C@@H]2CF)c1O 1233111698 ULFCKROCNSSACY-GFCCVEGCSA-N 302.187 3.397 10 10 DGCE Cc1ccc([C@H](C(C)C)n2nc(C3CC3)c(CO)c2N)c(O)c1 2078992579 QEGSSQODSAYFAU-KRWDZBQOSA-N 315.417 3.094 10 10 DGCE Oc1cccc(Cl)c1CN[C@@]1(C(F)(F)F)CCCOC1 2179877929 FMTGDWIOLMKQMW-LBPRGKRZSA-N 309.715 3.247 10 10 DGCE CN1CC[C@H]2[C@@H](CCN2Cc2cc(Cl)cc(Cl)c2O)C1 2170943411 RLAXZQOGPXLICH-HZMBPMFUSA-N 315.244 3.225 10 10 DGCE CCc1nn([C@@H](c2cc(C)c(C)cc2O)C(C)C)c(N)c1CN 2079945466 HXSCHIFBSBATQK-QGZVFWFLSA-N 316.449 3.054 10 10 DGCE CCCOC[C@@H]1CCN(c2cc(Cl)c(CN)cc2F)C1 2177389452 RGEXVVPRLDKJQO-LLVKDONJSA-N 300.805 3.191 10 10 DGCE NCc1ccc(N2C[C@@H]3CC=CC[C@H]32)c(F)c1Br 2057021616 HFHFATVYNUAZCL-WDEREUQCSA-N 311.198 3.202 10 10 DGCE CN(c1cc(Cl)c(CN)cc1F)[C@@H]1CC[C@H]2[C@H]1C2(F)F 2238687591 BAUPJERMNLPHAW-RLCGTCKNSA-N 304.743 3.418 10 10 DGCE COc1ncc(CN(C)c2ccc([C@@H](C)O)c(Cl)c2)s1 2239977797 GBRQPUIPFHQMLM-SECBINFHSA-N 312.822 3.495 10 10 DGCE N=C(N)c1cccc(Br)c1Sc1nccs1 2243960972 XXOXZXGDDQWYBZ-UHFFFAOYSA-N 314.233 3.341 10 10 DGCE CSc1ncc(CNC[C@@H]2CC[C@@H]3CCCC[C@@H]3N2)s1 2284716663 ZXHIRAHTSJGNOO-OBJOEFQTSA-N 311.520 3.265 10 10 DGCE Cc1ccc(C=C2C(=N)N3N=C(C(C)C)SC3=NC2=O)cc1 2297499509 JDCCGIBORCPKHN-UHFFFAOYSA-N 312.398 3.270 10 10 DGCE C[C@@H](CNC(=O)C=Cc1ccc(O)c(O)c1)Cc1cccs1 2308001604 WUFUYOHHJLUMAK-GFCCVEGCSA-N 317.410 3.168 10 10 DGCE CCN1N=C(c2ccc(OC)cc2)C(=Cc2ccccc2F)C1=O 2332096598 YLBLOAPEDMYPPM-UHFFFAOYSA-N 324.355 3.484 10 10 DGCE CN(C[C@H]1C[C@@H](F)C1)c1ccc(CN)c(Br)c1F 2327509702 FUFWXUBWMUOBPD-WAAGHKOSSA-N 319.193 3.231 10 10 DGCE Cc1ccc(CN2C[C@H](C)O[C@H](C)C2)c(O)c1Br 2327564486 MZTBIWIHKPGHSP-PHIMTYICSA-N 314.223 3.072 10 10 DGCE Cc1ccc(CN[C@@H](C)c2ccncn2)c(O)c1Br 2352695053 YJIPYLAECJETKS-JTQLQIEISA-N 322.206 3.104 10 10 DGCE CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N\c1ccc([N+](=O)[O-])cc1 100210657 BYBIBYBLMSEYRI-DVEDPGPFSA-N 323.312 3.470 10 10 DGCE O=[N+]([O-])c1sc2cccc(I)c2c1O 307472644 UFUKKIBMANXUIN-UHFFFAOYSA-N 321.095 3.120 10 10 DGCE CC[C@@H](Nc1ccccc1S(C)(=O)=O)c1ccccc1O 37075877 GBCIJAKGWRQNRO-CYBMUJFWSA-N 305.399 3.359 10 10 DGCE Oc1cccc(N2CCN(Cc3c(O)cccc3Cl)CC2)c1 121644694 KFGIVVBZGGZYNH-UHFFFAOYSA-N 318.804 3.073 10 10 DGCE CCCOc1ccc([C@@H]2NC(=O)c3ccccc3N2C)c(O)c1 121771561 JKKNJDYQWBYAAR-QGZVFWFLSA-N 312.369 3.059 10 10 DGCE Cc1cccnc1/C=C/C(=O)N(C)Cc1ccc(N(C)C)cc1 186406564 MFOBOEFESXIEQG-VAWYXSNFSA-N 309.413 3.128 10 10 DGCE CC(C)c1cc(C(=O)NCc2ccccc2O)cc(Cl)n1 228409782 KGOOYBWLWYKFTH-UHFFFAOYSA-N 304.777 3.494 10 10 DGCE CN(C)[C@@H]1C[C@@H]2C[C@H]1CN2Cc1cc(Cl)cc(Cl)c1O 2366822456 HHIYMTHLKXOVAG-DUFXMDAXSA-N 315.244 3.223 10 10 DGCE CCN1CCN(c2ccc(CNC3CC3)cc2Cl)C[C@H]1C 250230316 GBUZOPKBGVXWSL-CYBMUJFWSA-N 307.869 3.122 10 10 DGCE Cc1cncc(/C=C\C(=O)N2CCCc3c2cccc3[N+](=O)[O-])c1 255134649 DETIEIACSNDQJP-FPLPWBNLSA-N 323.352 3.291 10 10 DGCE COC(=O)Cc1ccc2sc(Br)c(O)c2c1 396264644 BMLOTTUMORTVPX-UHFFFAOYSA-N 301.161 3.085 10 10 DGCE [N-]=[N+]=NCCCNC(=O)/C=C\c1ccc(Br)s1 701319049 NUEIMTJRWONDGG-HYXAFXHYSA-N 315.196 3.340 10 10 DGCE CCN1CCc2cc([C@H](O)[C@H]3SCCS[C@@H]3C)ccc21 2163074568 UEMOOWQWJKUXGJ-RLCCDNCMSA-N 309.500 3.340 10 10 DGCE O=C(CCOCC1CC1)NCc1cc(Cl)cc(Cl)c1O 807839235 ALWMUJZRSIPUJI-UHFFFAOYSA-N 318.200 3.132 10 10 DGCE CCOC(=O)CN(Cc1ccc(N(C)C)c(C)c1)C(C)(C)C 815063185 HOGWRGZEKHSACH-UHFFFAOYSA-N 306.450 3.225 10 10 DGCE CN(C)c1ccc(CN2CC[C@H](O)C2(C)C)c(C(F)(F)F)c1 812778387 KAKMSFLUQZGMNO-AWEZNQCLSA-N 316.367 3.117 10 10 DGCE CCOc1cccc(CN2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1O 824696311 KXJURFRMTFENJT-BRWVUGGUSA-N 319.445 3.306 10 10 DGCE Cc1ccc(O)c(CN2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c1 824636474 QRRXUISUBNFAKA-PKOBYXMFSA-N 315.388 3.001 10 10 DGCE CN(C)c1ccc(CNC(=O)NC23CCC(CC2)CC3)cc1 836235731 OGPUISVUTODUCV-UHFFFAOYSA-N 301.434 3.275 10 10 DGCE CC(C)[C@H](C(=O)O)[C@@H](C)NC/C=C\c1ccc(N(C)C)cc1 904021173 POAHNZKCEFURKD-FRAJWHGFSA-N 304.434 3.101 10 10 DGCE Cc1cc(C(=O)COC(=O)C2(F)CC2)c(C)n1-c1ccccc1 830774706 SBLQZAIZIPPWLO-UHFFFAOYSA-N 315.344 3.322 10 10 DGCE CN(C)c1ccc(/C=C/CNCc2ccc3cnn(C)c3c2)cc1 835055870 ONDLSVGJHDDAFK-SNAWJCMRSA-N 320.440 3.442 10 10 DGCE CCC1(C(=O)NCc2ccc(O)cc2O)CCC(F)(F)CC1 910943244 LISXLZQKBHHTHA-UHFFFAOYSA-N 313.344 3.320 10 10 DGCE CN1CCC[C@H](NC(=O)Nc2ccc(N)cc2)c2ccccc21 841299227 XFIGUGHYEHAXAZ-INIZCTEOSA-N 310.401 3.362 10 10 DGCE CCOc1ccc(O)c(CNCc2cccc(C)c2OC)c1 848565082 SHPLTXOOTMKCGH-UHFFFAOYSA-N 301.386 3.398 10 10 DGCE Cc1cc(O)c(CN2CCC[C@H](C3CCNCC3)C2)cc1C 849350743 UTUZQWDLBBWDLE-KRWDZBQOSA-N 302.462 3.221 10 10 DGCE Cc1ccc([C@H](C)N[C@H]2C[C@@H]3OC(C)(C)O[C@@H]3C2)c(O)c1C 927059938 HETNQXSVFKVJTO-DARAHFNDSA-N 305.418 3.342 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)c3cc(C)cc(C)c3)C2)cc1 855234660 IKBMNBQTCSDDRO-QGZVFWFLSA-N 324.424 3.321 10 10 DGCE COCCN(CCF)Cc1c(O)ccc2oc3c(c12)CCCC3 853548536 GITWYUBSIROUJG-UHFFFAOYSA-N 321.392 3.435 10 10 DGCE CC[C@H](N[C@H]1CC=C(C(=O)OC)C1)c1cc(Cl)ccc1O 858474656 STGIKMBKXKBBRR-JSGCOSHPSA-N 309.793 3.348 10 10 DGCE COc1cccc([C@H](C)N[C@H](C2CCC2)[C@H]2CCCO2)c1O 866491244 OKYUQPXXNCFMNY-XGWLTEMNSA-N 305.418 3.399 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@H]1C[C@H](O)C12CCC2 1875446458 VLWKAKRXYZWAKX-MFKMUULPSA-N 316.228 3.340 10 10 DGCE CN(C)c1ccc(/C=C/CNc2ccc3c(c2)OCCNC3)cc1 863649826 JAHUTLLSMPFWSY-ONEGZZNKSA-N 323.440 3.360 10 10 DGCE Oc1c(Br)cccc1CNC[C@@H]1C[C@]12CC2(F)F 1876068888 IPSYLVVVCYOOON-CABZTGNLSA-N 318.161 3.290 10 10 DGCE CCc1ccc(CN2CCN(Cc3ccccc3O)CC2)s1 770510830 RIPBOEBADVWAIO-UHFFFAOYSA-N 316.470 3.334 10 10 DGCE C[C@H](NC(=O)c1cc(-c2ccoc2)[nH]n1)c1ccc(N(C)C)cc1 773007785 KECWPZJLIJKIDO-LBPRGKRZSA-N 324.384 3.227 10 10 DGCE COc1cc(Cl)cc(CNCC[C@@H]2CC(C)(C)CO2)c1O 895802579 MWENONGQISVJBJ-CYBMUJFWSA-N 313.825 3.349 10 10 DGCE CN(c1ccc(N)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1959568849 BKIPRTPPFKYRKO-UHFFFAOYSA-N 305.422 3.105 10 10 DGCE CCCOc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 1151033888 WHRQPYWQPQJJBF-UHFFFAOYSA-N 301.342 3.068 10 10 DGCE Cc1c(Cl)cc(C(=O)NCCN=[N+]=[N-])cc1Br 1963818887 ZZMVMSQVSMNPMU-UHFFFAOYSA-N 317.574 3.451 10 10 DGCE CCCNCc1cc(F)c(N2CCCSCC2)c(F)c1 62711922 XVEWUNFSHHSEGV-UHFFFAOYSA-N 300.418 3.408 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@@]23CCCN(CC2)C3)cc1 1535434987 JYHOUXFARNCYIP-FQEVSTJZSA-N 323.440 3.062 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)N[C@@H]2CCC[C@H]2O)c1 1556938426 OFAUMLVCABKXCH-SJLPKXTDSA-N 312.413 3.046 10 10 DGCE Cc1cc(F)cc(C(=O)NCc2cc(Cl)ccc2O)c1N 1628681531 WCBVBTVYWYQIRK-UHFFFAOYSA-N 308.740 3.005 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)NCc2cc3ccccc3[nH]2)cc1 1635351596 NIUGAJPAHZHWKL-UHFFFAOYSA-N 321.340 3.260 10 10 DGCE COC(=O)c1cnc(SCc2cccc(C(C)=O)c2)s1 1641151944 LEDBXWAMCJWSKG-UHFFFAOYSA-N 307.396 3.425 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN(C(=O)c2ccc(Br)cn2)C1 1912164936 ZHCDYISMZHWBMG-SECBINFHSA-N 324.182 3.007 10 10 DGCE CN(CCN=[N+]=[N-])C(=O)Cc1csc(-c2ccsc2)n1 1912172785 HJEQOQDBYDZOLU-UHFFFAOYSA-N 307.404 3.183 10 10 DGCE CCOC(=O)N1CCN(/N=N/c2ccccc2OC(C)C)CC1 1860485480 KLENNKYYVUAPSP-ISLYRVAYSA-N 320.393 3.247 10 10 DGCE CCN1N=C(c2ccc(OC)cc2)/C(=C\c2cccs2)C1=O 1865670871 WTSCTEISBQDRIR-RVDMUPIBSA-N 312.394 3.407 10 10 DGCE CC(C)(O)CN(Cc1ccccc1)c1c(F)cc(CN)cc1F 1915403986 IHZMXCMYNQOTJV-UHFFFAOYSA-N 320.383 3.201 10 10 DGCE Cc1cc(N(Cc2ccccc2)C2COC2)ccc1C[C@H](C)N 1915640868 OKFHEISCENZCDO-INIZCTEOSA-N 310.441 3.290 10 10 DGCE COc1ccc(Br)c(CNC[C@@H](C)C(F)F)c1O 1967783753 DGANSGZAQFQYFO-SSDOTTSWSA-N 324.165 3.154 10 10 DGCE C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@H](C)CN1 1921507688 JCUSJGKPCMRCDJ-ZJUUUORDSA-N 303.233 3.129 10 10 DGCE CNCc1ccc(N2CC3(CC=CC3)C2)c(Br)c1 1925272211 XJVWQHHANFHHEB-UHFFFAOYSA-N 307.235 3.325 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)C2Nc1ccc(N)cc1 1977697715 AHCDCIXEJTVBMC-OCZCAGDBSA-N 317.433 3.326 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CC[C@H](C1)N2c1ccc(N)cc1 1977969533 BTJJLWYTQPALKP-MKZZRHPPSA-N 317.433 3.293 10 10 DGCE C[C@H]1C[C@H](C)N(c2ccc(N)cc2)CCN1C(=O)OC(C)(C)C 1978641731 HJVYVPKDUOKRRH-KBPBESRZSA-N 319.449 3.493 10 10 DGCE C[C@@H](C(F)F)N(C)Cc1cc(Br)cc(F)c1O 2009013583 YRUUHGLIGNMUSZ-LURJTMIESA-N 312.129 3.379 10 10 DGCE CCc1ccc(S(=O)(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)s1 2155549717 BEWPSODKZCHNEG-SNVBAGLBSA-N 314.436 3.164 10 10 DGCE Oc1c(Cl)cccc1CNCc1cc2c(s1)CCOC2 2159481372 LEPZZTNXBBXADQ-UHFFFAOYSA-N 309.818 3.470 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)c1cc(Br)cs1 2213593985 ZTEWNRQPXQCAPP-HTQZYQBOSA-N 315.196 3.472 10 10 DGCE COC(=O)c1cc(C2CCCC2)nn1Cc1c(C)cccc1O 2069871098 UFRVHYWAWVOMIC-UHFFFAOYSA-N 314.385 3.390 10 10 DGCE O=[N+]([O-])c1ccc(Cn2ncc(C3CCCCC3)c2O)c(O)c1 2070203689 NOXNMYODLIBDAP-UHFFFAOYSA-N 317.345 3.299 10 10 DGCE CC[C@@H](c1ccc(OC)cc1O)n1nc(C(C)C)c(C=O)c1N 2079984824 LNFHZENDQFGTJU-AWEZNQCLSA-N 317.389 3.115 10 10 DGCE C[C@H](NC(=O)c1occc1Br)c1ccccc1O 1587451552 ZJIYGUGPDQZLQM-QMMMGPOBSA-N 310.147 3.239 10 10 DGCE CN(C)c1ccc(CN[C@@H]2CS[C@@H](C(F)(F)F)C2)cc1 2189245083 JXVLOMQPDWBARS-WCQYABFASA-N 304.381 3.279 10 10 DGCE Nc1cccc(Br)c1N[C@@H]1CCC[C@@H]2OCC[C@H]21 2042307139 DVNVMBYNLALMRX-BIMULSAOSA-N 311.223 3.401 10 10 DGCE C[C@H](N)c1cc(F)c(N2CCSCC(F)(F)C2)c(F)c1 2194716085 WVZIKHCWJFNFGZ-QMMMGPOBSA-N 308.344 3.173 10 10 DGCE N[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1cc(Cl)cc(Cl)c1O 2094914234 JEIUQMWNRIUCKQ-ZSBIGDGJSA-N 301.217 3.153 10 10 DGCE COc1cc(Br)ccc1[C@@H](O)Cc1ccc(N)cc1 2231120080 UCEYVIBIMYKHKV-AWEZNQCLSA-N 322.202 3.316 10 10 DGCE C[C@H](O)c1ccc(N2CC[C@H]3C[C@@]3(F)C2)c(Br)c1 2222656523 CJEQQWRLDBTDJW-NURSFMCSSA-N 314.198 3.441 10 10 DGCE C[C@H](N)c1ccc(N(C)CC[C@@H]2CCO2)c(Br)c1 2263985155 HWUXBWGIJYVXEI-CMPLNLGQSA-N 313.239 3.084 10 10 DGCE Cc1ccc(N(C)C(=O)C=Cc2cnn(C)c2C)cc1Cl 2304171116 OEBYELVAKLKOMY-UHFFFAOYSA-N 303.793 3.367 10 10 DGCE Cc1ccc(CN2CCC[C@H](F)C2)c(O)c1Br 2307453731 AUMZEXKMXZAZCK-NSHDSACASA-N 302.187 3.397 10 10 DGCE CCc1ccc(/C=C2/SC(=S)N(CCCOC)C2=O)cc1 96505509 PKDQRTDIVUJFTQ-SDNWHVSQSA-N 321.467 3.487 10 10 DGCE COc1ccc(CNC2(c3nccs3)CCCC2)c(O)c1 116374346 UXPWNSCRDCKNQE-UHFFFAOYSA-N 304.415 3.416 10 10 DGCE CCN(Cc1ccc2c(c1)OCO2)Cc1ccc(OC)cc1O 120040493 CNTLTIUTQNIOHH-UHFFFAOYSA-N 315.369 3.152 10 10 DGCE CN(C)c1ccc(CN(C)c2ncc(Cl)cc2[N+](=O)[O-])cc1 153528059 FYODHLSPDPHHFV-UHFFFAOYSA-N 320.780 3.346 10 10 DGCE COc1ccc(O)c(CN2C[C@H](c3ccccc3)OC[C@@H]2C)c1 180021999 FIMHPVSPNJSPDG-IFXJQAMLSA-N 313.397 3.363 10 10 DGCE CCCOc1ccc(CNc2ncn(-c3ccccc3)n2)c(O)c1 195048544 YYBYRJMCNUHNTF-UHFFFAOYSA-N 324.384 3.374 10 10 DGCE O=C1/C(=C\c2cccc3ccccc23)SC(=S)N1CCO 210387308 WQEIDDXZUBUEPN-GXDHUFHOSA-N 315.419 3.033 10 10 DGCE CN1CCCc2cc(CNC[C@@H]3CSCCS3)ccc21 229587946 HJUAVCNCGJSPOK-OAHLLOKOSA-N 308.516 3.007 10 10 DGCE COCCNCc1ccc(N2CCSC[C@@H]2C)cc1Cl 234687916 JUPZUSGAYUHTJL-LBPRGKRZSA-N 314.882 3.018 10 10 DGCE CCO[C@@H]1C[C@@H](N(C)C(=O)Cc2ccc(N)cc2)C12CCCC2 236867023 VHQYVVXOFMCHIB-IAGOWNOFSA-N 316.445 3.008 10 10 DGCE O=C(/C=C\c1ccc(N2CCOCC2)cc1)Oc1ccccc1 255828560 UVFAHKZQGIGWSC-FLIBITNWSA-N 309.365 3.142 10 10 DGCE CCN(C)c1ccc([C@@H](C)NC2CCC(NC(C)=O)CC2)cc1 268841401 MWGPTFXGENPPLH-RWBZWWBESA-N 317.477 3.241 10 10 DGCE CC(C)NCc1ccc(N2C[C@H]3C[C@H]3C2)c(Br)c1 379553693 XVSYLQOZJUSCFP-BETUJISGSA-N 309.251 3.403 10 10 DGCE C[C@H](c1ccccc1O)N(C)C(=O)CCNCc1ccccc1 701228975 AXDDRIDXSUSRMF-OAHLLOKOSA-N 312.413 3.092 10 10 DGCE Cc1ccc(/C=C\C(=O)NCCN=[N+]=[N-])c(Br)c1 701335652 CKYOELNHGLLQQP-PLNGDYQASA-N 309.167 3.197 10 10 DGCE CC[C@H]1OCC[C@H]1CNCc1c(O)cccc1Br 706871583 KDRSRVOTOAMSKX-IINYFYTJSA-N 314.223 3.059 10 10 DGCE CCc1cccc(CNC[C@H](C)N(C)C(=O)OC(C)(C)C)c1O 709407111 PNFFSBRSVRCVKX-ZDUSSCGKSA-N 322.449 3.300 10 10 DGCE CN[C@H](C)c1ccc(N2C[C@@H](F)[C@H](F)C2)c(Br)c1 714732040 CANXBVSCGNBAQF-GGZOMVNGSA-N 319.193 3.226 10 10 DGCE CC1(NCc2cc(Br)cc(F)c2O)CC=CC1 715719891 GNEIMWWMQGMSEM-UHFFFAOYSA-N 300.171 3.492 10 10 DGCE Cc1ccc(O)c([C@@H](C)NCc2cn(C)nc2Br)c1 720682512 YQFQXXBWPQKHQJ-SNVBAGLBSA-N 324.222 3.047 10 10 DGCE Cc1ccc(OCc2ccc(Br)c(F)c2)c(N)n1 721945347 XXFDSKGBCQDLTO-UHFFFAOYSA-N 311.154 3.453 10 10 DGCE C[C@H](N[C@H](C)c1ncc(Br)cn1)c1ccccc1O 805749219 WQGUVPNQGAOWHK-VHSXEESVSA-N 322.206 3.357 10 10 DGCE C[C@@H](NC(=O)C[C@H](O)CC(C)(C)C)c1ccc(N(C)C)cc1 813524485 CMXGYZUSZNGPNI-CJNGLKHVSA-N 306.450 3.117 10 10 DGCE CN(C)c1ccc(CN(Cc2cnn3c2CCC3)C2CC2)cc1 824555338 FNQSGYJHEFFWJY-UHFFFAOYSA-N 310.445 3.060 10 10 DGCE CC[C@@H](NC[C@@]1(CO)CCc2ccccc21)c1ccccc1O 846012377 YXGTUBBNQRGTIN-UYAOXDASSA-N 311.425 3.309 10 10 DGCE C[C@@]1(CCNCc2cc([N+](=O)[O-])ccc2O)C[C@]1(F)Cl 846039114 UEZFOZWJTKXTKQ-CHWSQXEVSA-N 302.733 3.095 10 10 DGCE C/C(=C/c1cccnc1)C(=O)NCCCSc1nccs1 847487809 LJULTQXIIQDMPK-BENRWUELSA-N 319.455 3.240 10 10 DGCE CC[C@H](NCC[S@@](=O)CC(F)(F)F)c1ccc(C)cc1O 850496041 MKUBLIKZUQCLGW-LAJNKCICSA-N 323.380 3.052 10 10 DGCE C/C=C\CN[C@H](C)c1cc(Br)cc(OC)c1O 858536026 DAJSVQARBPQWCG-XRVBUDJMSA-N 300.196 3.390 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)[C@@H]1CCCC(F)(F)C1 862025781 AUBLUMAVLGPQLG-GFCCVEGCSA-N 320.339 3.382 10 10 DGCE CCC1=C(C(=O)NCc2ccc3cccnc3c2O)CCCO1 862026377 MEOPVELKZUEKJR-UHFFFAOYSA-N 312.369 3.031 10 10 DGCE Cc1ccc(O)c(CNC(=O)C2(C(F)(F)F)CCCC2)c1 862754349 ATJPKCKTYLJBHL-UHFFFAOYSA-N 301.308 3.440 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H](C)O[C@H]1C 868110084 SBFMZYCKHMUFOT-OFQRWUPVSA-N 305.418 3.334 10 10 DGCE O=C1CCN(C(=O)c2cc(O)cs2)[C@@H](c2ccccc2)C1 868499263 IMIJHTVCWOUHSL-CQSZACIVSA-N 301.367 3.000 10 10 DGCE Cc1cccc(O)c1CNCC1CC(NC(=O)OC(C)(C)C)C1 877809288 XOLBPBFRODTHHH-UHFFFAOYSA-N 320.433 3.094 10 10 DGCE O=C(NCc1c(O)cccc1F)N[C@@H]1CCCc2occc21 914151916 PSBUFYJKPSYCKP-CYBMUJFWSA-N 304.321 3.001 10 10 DGCE c1cc2c(cc1CN[C@@H](C1CCC1)[C@@H]1CCOC1)CCCO2 922315065 WAJDETWWZRRMTQ-MJGOQNOKSA-N 301.430 3.306 10 10 DGCE C[C@@H]1C[C@H](NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)c2c(O)ccc(F)c21 926937552 PDXLWPUOIXBVMF-JYKNGBAOSA-N 303.377 3.260 10 10 DGCE COc1ccc(N2CCN([C@H](C)c3ccc(F)nc3)CC2)cc1 929152820 FKDOFEKENRMHRK-CQSZACIVSA-N 315.392 3.113 10 10 DGCE C[C@H](CC(=O)OC(C)(C)C)NC/C=C/c1ccc(N(C)C)cc1 1117944980 OCOMLPDPHLTRLA-MVGZEHJDSA-N 318.461 3.476 10 10 DGCE O=C(NCc1ccc(O)cc1O)c1cc(Cl)cc(Cl)c1 1142530423 OTYXQWFFWBZAMV-UHFFFAOYSA-N 312.152 3.335 10 10 DGCE Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(C)c(O)c1O)[C@H](C)C2 1300806615 LIRJMFBZORBJFT-WBMJQRKESA-N 311.381 3.378 10 10 DGCE Nc1ccc2c(c1)CN(Cc1ccc(N3CCCC3)cc1)CCO2 1332010881 DYVQLACVZMOFLP-UHFFFAOYSA-N 323.440 3.264 10 10 DGCE Cc1ccccc1-n1c(C)cc(C(=O)NCc2cnccn2)c1C 1607431853 XSSCPHIPLCMZHF-UHFFFAOYSA-N 320.396 3.123 10 10 DGCE CCC[C@H](CCO)NC(=O)c1sccc1-n1c(C)ccc1C 1632111111 QWWPTKQKVWMEOF-CQSZACIVSA-N 320.458 3.437 10 10 DGCE C/C(=C/c1ccco1)C(=O)NCc1ccc2cccnc2c1O 1639624596 BOEQRLQDIDOAOQ-BENRWUELSA-N 308.337 3.253 10 10 DGCE COc1ccc(CN[C@H](C)[C@@H](C)NC(=O)CCC2CC2)cc1C 1674647266 NUFZRQOITSVFKK-HUUCEWRRSA-N 318.461 3.177 10 10 DGCE Cc1cnc([C@@H](N)c2ccc(N(C)C)cc2)c(Br)c1 1911220677 MZKNGRFSEOPRHA-AWEZNQCLSA-N 320.234 3.267 10 10 DGCE CNCc1cc(F)c(N(Cc2ccccc2)[C@@H](C)CO)c(F)c1 1914360672 QRUUNWOAXYXFFV-ZDUSSCGKSA-N 320.383 3.072 10 10 DGCE CC[C@]1(F)CCN(c2ccc(CN)c(Br)c2F)C1 1925576602 UEZMMXNEJAAJAA-ZDUSSCGKSA-N 319.193 3.375 10 10 DGCE CCN(C(=O)OC(C)(C)C)[C@H](C)C[C@@H](N)c1ccccc1O 1928470610 PYXLEEASIQNNCB-TZMCWYRMSA-N 308.422 3.428 10 10 DGCE Cc1ccc([C@@H]2[C@@H](C(=O)O)CCN2C(=O)OC(C)(C)C)c(O)c1 1952821157 NEGVLKLDOCGBDN-GXTWGEPZSA-N 321.373 3.083 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CO[C@H](CCCc2ccc(N)cc2)C1 1952908337 CTDMVQASWLTTGH-HZPDHXFCSA-N 320.433 3.274 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CC[C@H]2CCNC[C@H]2C1 1967988763 UBGBRLQADBXENV-PWSUYJOCSA-N 315.244 3.130 10 10 DGCE Cc1ccc(O)c(CNCCC[C@H](C)NC(=O)OC(C)(C)C)c1 1971942666 XDDKONTUCBPVFD-AWEZNQCLSA-N 322.449 3.484 10 10 DGCE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@](N)(c1ccccc1O)C2 1976473384 KSTHXACMJHCYFS-MCBXIFIFSA-N 318.417 3.108 10 10 DGCE Cc1cccc(N)c1N[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1977663678 BQNBGIUCXHCWOE-UMVBOHGHSA-N 317.433 3.245 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H](C2(Nc3ccc(N)cc3)CC2)C1 1977666835 RGYPRXWLDFBYGO-CYBMUJFWSA-N 317.433 3.470 10 10 DGCE CN(C)c1ccc([C@H](O)C(C)(C)CNC(=O)OC(C)(C)C)cc1 1977937661 CUTLDERUTYWVDP-HNNXBMFYSA-N 322.449 3.337 10 10 DGCE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]2CC[C@H](C1)N2CCCN=[N+]=[N-] 1982245369 GRZJLTMDKRZNGY-ZSOGYDGISA-N 323.441 3.455 10 10 DGCE CN(C)CCN(Cc1ccccc1)c1ccc2c(c1)CC[C@@H]2N 1986608767 HHSKZGXOIPZZSW-FQEVSTJZSA-N 309.457 3.201 10 10 DGCE C[C@H](N(C)c1ccc(CN)c(Br)c1)C(C)(F)F 2009094614 PJWRQPCGDXBPCN-QMMMGPOBSA-N 307.182 3.388 10 10 DGCE C[C@H](O)c1ccc(N2CC=C[C@@H]2CF)cc1Br 2024024643 XECVUKOCBILRBK-GXSJLCMTSA-N 300.171 3.217 10 10 DGCE CC[C@H](NC1CC(C)(O)C1)c1cc(Br)ccc1O 2040939783 TVIGKJJOPTWVKJ-KHJSKFAYSA-N 314.223 3.109 10 10 DGCE CO[C@@H]1CC[C@H](CNCc2cc(Br)ccc2O)C1 2054479274 RKDHFOFEXHNFGX-GXFFZTMASA-N 314.223 3.059 10 10 DGCE CNCc1cc(-c2ccccc2)nn1Cc1cc(F)ccc1O 2070084564 WSTFZVXTIKEZQA-UHFFFAOYSA-N 311.360 3.163 10 10 DGCE CN(CC[C@H]1CC1(F)F)c1ccc(CO)c(Br)c1 2075424386 JVZRMPUMLRWGQF-JTQLQIEISA-N 320.177 3.423 10 10 DGCE Cc1cc(O)c([C@@H](C(C)C)n2nc(C)c(C=O)c2N)cc1C 2079936806 SIQDBDJFLCYVJD-MRXNPFEDSA-N 301.390 3.154 10 10 DGCE CCNCc1ccc(N(C)CC2(F)CC2)c(Br)c1 2085434960 HNKYNRXGDJWOSA-UHFFFAOYSA-N 315.230 3.497 10 10 DGCE Cc1ccnc(CNCc2c(O)cccc2Br)c1C 2088889995 NCAKMQAUWBMYGW-UHFFFAOYSA-N 321.218 3.456 10 10 DGCE C[C@@H](Nc1c(Br)cnn1C)c1ccc(N(C)C)cc1 2099580248 SDUUTAQETNNDCX-SNVBAGLBSA-N 323.238 3.422 10 10 DGCE CCN[C@@H](C)c1cnc(SCC(C)(C)C(=O)OC)s1 2103566189 QNPUBIOPVLMBAP-VIFPVBQESA-N 302.465 3.105 10 10 DGCE CN[C@@H](c1ccc2c(c1)CCN2C)c1occc1Br 2106857296 JIMKJJVUVAPHCR-AWEZNQCLSA-N 321.218 3.343 10 10 DGCE NCc1ccc(N2CC[C@@H](n3cccc3)C2)c(Br)c1 2115191238 XRWCDXRYSLBZKB-CYBMUJFWSA-N 320.234 3.161 10 10 DGCE CCCSC1CN(c2ccc(CN)cc2C(F)(F)F)C1 2153912266 UVYLJKIKPJOAKQ-UHFFFAOYSA-N 304.381 3.496 10 10 DGCE CSc1ccc([C@H](O)[C@@H](N)c2ccc(N(C)C)cc2)s1 2163144685 NUUNVWAMEXLKPP-GJZGRUSLSA-N 308.472 3.269 10 10 DGCE Nc1ccc(NS(=O)(=O)c2cc(Cl)c(F)cc2F)cc1 2177539911 HKJKDWZPRMZEBZ-UHFFFAOYSA-N 318.732 3.001 10 10 DGCE CCN[C@]1(C(=O)O)C[C@H](Sc2nccs2)CC(C)(C)C1 2183528465 JIWGSZUQMCFKMO-QMTHXVAHSA-N 314.476 3.247 10 10 DGCE CSc1ncc(CN[C@H]2CCCC3(CC2)OCCO3)s1 2208766215 JPBZQDSTLOVVMJ-NSHDSACASA-N 314.476 3.030 10 10 DGCE CCN[C@@]1(CO)CCCC[C@@H]1CCSc1nccs1 2273067152 RAEVSNZYODEVDH-TZMCWYRMSA-N 300.493 3.156 10 10 DGCE CCc1nc(NC(=O)C=Cc2ccc(O)c(O)c2)sc1C 2307986548 HJIGIPJOBICFRO-UHFFFAOYSA-N 304.371 3.077 10 10 DGCE Cc1ccc(CN2[C@@H](C)COC[C@H]2C)c(O)c1Br 2327563977 IKSQGCPDHMMBRE-PHIMTYICSA-N 314.223 3.072 10 10 DGCE CC(C)(C)OC(=O)N1CCN(N=Nc2cccc(F)c2)CC1 2330185981 IDAUROQRCZKBCL-UHFFFAOYSA-N 308.357 3.377 10 10 DGCE Cc1cncc(CNCc2ccc(C)c(Br)c2O)c1 2352694446 VLJSHJINAHDNGW-UHFFFAOYSA-N 321.218 3.456 10 10 DGCE CCN(CCC(=O)Nc1ccc(N)cc1)Cc1cccs1 48970020 ULBZIGHICFAXCG-UHFFFAOYSA-N 303.431 3.181 10 10 DGCE Cc1ccn2c(/N=N\c3cccc(C(=O)O)c3)c(C(=O)O)nc2c1 71583470 OPWGWNOSBDGSOL-HNENSFHCSA-N 324.296 3.455 10 10 DGCE CCCN1C(=O)/C(=C\c2ccccc2[N+](=O)[O-])SC1=S 113833601 KOLMUSWFEHLZMU-DHZHZOJOSA-N 308.384 3.206 10 10 DGCE COc1ccc(O)c(CNC(=O)CCCc2ccc(C)cc2)c1 114543602 PDIJZWRYENKFCK-UHFFFAOYSA-N 313.397 3.348 10 10 DGCE CCOc1cccc(CN2CCC[C@@H](n3cc(C)cn3)C2)c1O 123022565 MTZQSSASUXPRJK-MRXNPFEDSA-N 315.417 3.133 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)C(=O)NCc1cccc(Cl)c1 170033003 RSDLVEQRGRXCDL-LLVKDONJSA-N 319.788 3.246 10 10 DGCE Nc1ccc(N(C(=O)c2cc(O)nc(O)c2)c2ccccc2)cc1 170223346 DAHUIARCCCFBMQ-UHFFFAOYSA-N 321.336 3.054 10 10 DGCE O=C(/C=C/c1cccc2cccnc12)N1CCOc2ncccc21 177229829 ISHJNZUIIFAPQM-CMDGGOBGSA-N 317.348 3.069 10 10 DGCE Cc1ccc(C(=O)N2CCC[C@@]3(CC=CCC3)C2)c(O)c1O 179499611 DMKGXKREZTZOCN-SFHVURJKSA-N 301.386 3.369 10 10 DGCE COc1ccc(CN2C[C@@H](C)O[C@H](c3ccccc3)C2)c(O)c1 245560187 MNAUQXHQTDWEFQ-KUHUBIRLSA-N 313.397 3.363 10 10 DGCE COc1ccc2ccc(O)c(CN3CC[C@@H](C)[C@H](OC)C3)c2c1 249968631 XICPVVLCPDKUTQ-BFUOFWGJSA-N 315.413 3.411 10 10 DGCE CCN(C)c1ccc([C@H](C)NC2CCC(NC(C)=O)CC2)cc1 268841397 MWGPTFXGENPPLH-NNGSBXSVSA-N 317.477 3.241 10 10 DGCE C[C@](O)(CNCc1cc(Cl)c(F)cc1O)c1ccsc1 293591025 KKYPYGRQDWFISM-AWEZNQCLSA-N 315.797 3.244 10 10 DGCE CN(Cc1ccccn1)c1cc(Br)c(CN)cc1F 311438936 UVEFRJASRIKEBH-UHFFFAOYSA-N 324.197 3.078 10 10 DGCE CCCNCc1ccc(N(C)[C@H](C)C[S@@](C)=O)c(Cl)c1 398867541 AIURQRLEOTVZGT-MPBGBICISA-N 316.898 3.043 10 10 DGCE O=C(/C=C\c1cnccn1)N(CC1CCCCC1)c1ccccn1 492239521 OHEIYABZBNCTAI-KTKRTIGZSA-N 322.412 3.498 10 10 DGCE Cc1cc(N(C)C(=O)/C=C\c2cnc3ccccc3n2)ccn1 492619172 ZWQFSSDKJWAVQA-FPLPWBNLSA-N 304.353 3.009 10 10 DGCE CN(c1ccc(CN)c(C(F)(F)F)c1)[C@@H]1CCCSC1 689593491 VXUZWPXBYCKWHU-GFCCVEGCSA-N 304.381 3.496 10 10 DGCE C[C@H](NCc1ccccc1O)c1cncc(Br)c1 695250893 SWELRLMFCOUKRR-JTQLQIEISA-N 307.191 3.401 10 10 DGCE C[C@@H]1CN(c2ccc(OC(F)(F)F)cc2Cl)[C@H](C)CN1 699652185 ZUQAZEZLWDFLDK-RKDXNWHRSA-N 308.731 3.425 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@@H]1CCN1C1CC1 700906371 FVJCIJVIDOPFKU-LBPRGKRZSA-N 301.217 3.025 10 10 DGCE C[C@H](CN(C)C(=O)OC(C)(C)C)N[C@H](C)c1cc(O)ccc1O 701924921 QNLLFIMNMPFQHP-VXGBXAGGSA-N 324.421 3.004 10 10 DGCE Oc1ccc(Br)cc1CNCC[C@@H]1CC1(F)F 701938896 ZOWWRXOLPUOZML-SECBINFHSA-N 306.150 3.290 10 10 DGCE NCc1ccc(N2C[C@H]3CC=CC[C@@H]3C2)cc1Br 723180606 UAIKRGHJPLALRO-CHWSQXEVSA-N 307.235 3.310 10 10 DGCE O=C(Nc1nc(-c2ccccn2)cs1)c1cc(O)cs1 731865589 MYGFHYBEUCJAST-UHFFFAOYSA-N 303.368 3.225 10 10 DGCE C[C@H](N[C@H](C)C(C)(C)O)c1cc(Br)cc(F)c1O 756817365 FJYRRJKDZFFNBB-JGVFFNPUSA-N 320.202 3.104 10 10 DGCE Cc1ccc([C@H](C)NCc2nc(-c3ccccc3)n[nH]2)c(O)c1 756866814 DPLVLNDTXZOGPT-ZDUSSCGKSA-N 308.385 3.337 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)c1nc(Cl)cs1 788752662 WKVPKKSNBYCBOK-UHFFFAOYSA-N 309.822 3.101 10 10 DGCE CC[C@@]1(NCc2cc(C)cc(Br)c2O)CCOC1 791005714 XGMDGHRXNTWKJM-CQSZACIVSA-N 314.223 3.122 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCC(C)(C)O1 801548714 NHEYUBBXCSYCEH-INIZCTEOSA-N 305.418 3.479 10 10 DGCE Oc1c(CNCC2(O)Cc3ccccc3C2)ccc2ccccc12 816553295 PCDMFBFQLSOWDY-UHFFFAOYSA-N 319.404 3.165 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1onc2c1CCCC2 830147562 UADGYYVCERHCLH-UHFFFAOYSA-N 314.385 3.311 10 10 DGCE CC(C)n1ncc2c1C[C@@H](N[C@@H]1CCc3cccc(O)c31)CC2 834783940 PKBCQNAIHZEFOI-JKSUJKDBSA-N 311.429 3.304 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@H](CCO)Cc2ccccc2)cc1 835052630 POMASNLZMWJQDP-AQDCRGGLSA-N 324.468 3.349 10 10 DGCE Cc1cc(O)c(CN[C@H]2CCC[C@H](C(=O)N(C)C)C2)c(Cl)c1 840897263 LLYKVQKYMJUCJY-STQMWFEESA-N 324.852 3.091 10 10 DGCE CN(C)c1ccc(/C=C\CNCc2cc(C3CC3)nn2C)cc1 922946594 BENFMAAQEMVFSQ-PLNGDYQASA-N 310.445 3.167 10 10 DGCE COC(=O)c1cccc2c1CN(Cc1ccc(N(C)C)cc1)CC2 1203936258 FTJMAXAVMBBNRZ-UHFFFAOYSA-N 324.424 3.098 10 10 DGCE Cc1ccncc1/C=C/C(=O)N(C)c1cccnc1N1CCCC1 1355223291 ODCOSVZEPQQXEE-BQYQJAHWSA-N 322.412 3.061 10 10 DGCE C[C@H](Cn1ccc2ccccc21)C(=O)NCc1cccc(O)c1O 1455317311 TTWSSMJXYRLVOD-CYBMUJFWSA-N 324.380 3.005 10 10 DGCE C[C@H](Cc1cccs1)NC(=O)c1ccc(N=NC(N)=O)cc1 1615600914 VXBRFTUBJMKJBJ-SNVBAGLBSA-N 316.386 3.272 10 10 DGCE Cc1ccccc1[C@@H]1CCCN1C(=O)Cc1ccc(O)c(O)c1 1625179149 KVMRWKFQQWTFCZ-INIZCTEOSA-N 311.381 3.312 10 10 DGCE CCOc1cc(NCc2ccc(N(C)C)cc2C)nc(C)n1 1650742716 DYHYYTKLAUGEAQ-UHFFFAOYSA-N 300.406 3.170 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1C[C@@H]2CCC[C@@H]21 1684670512 WFYAHUDBVWREGF-JLJPHGGASA-N 314.429 3.259 10 10 DGCE COc1ccc(CNC[C@H](C)NC(=O)CCC2CCC2)cc1C 1715970655 JSGLJXRKHPEUSC-HNNXBMFYSA-N 318.461 3.178 10 10 DGCE COc1ccc(CNC[C@@H](C)N(C)C(=O)C2(C)CCC2)cc1C 1732434209 DOJSNUWSAZRNSU-OAHLLOKOSA-N 318.461 3.130 10 10 DGCE Cc1ccc(O)c(CNCC(=O)Nc2cc(Cl)ccc2C)c1 1857857341 CGTSBNUTHKAJLS-UHFFFAOYSA-N 318.804 3.391 10 10 DGCE Cc1ccc(NC(=O)CNCc2cc(Cl)ccc2O)c(C)c1 1857858029 MTLCTZUXZDTELM-UHFFFAOYSA-N 318.804 3.391 10 10 DGCE O[C@@H]1CN(c2ccc(OCc3ccccc3)cc2)C[C@H]1C1CC1 1899868752 WCBOAJHZOAKYCW-VQTJNVASSA-N 309.409 3.473 10 10 DGCE OC[C@@H]1CN(c2ccc(OCc3ccccc3)cc2)CC12CC2 1899871265 VQCCFDMRXMDQPS-KRWDZBQOSA-N 309.409 3.474 10 10 DGCE COC1CC(N(C)c2ccc([C@H](C)N)cc2Br)C1 1914800163 PREPNNLSQQCJDP-GCVQQVDUSA-N 313.239 3.082 10 10 DGCE Oc1c(Br)cccc1CN[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@@H]12 1917459831 STXFJXPGWGOLOX-VXUPGSCNSA-N 308.219 3.289 10 10 DGCE C[C@@H](CCNC(=O)OC(C)(C)C)N[C@H](C)c1ccc(O)cc1O 1937019637 USZBCGSDIVKBQJ-NWDGAFQWSA-N 324.421 3.052 10 10 DGCE COc1cccc(CN[C@@H]2CC[C@H]2OCc2ccccc2)c1O 1939573129 CBWLYMGAYHFLIU-IAGOWNOFSA-N 313.397 3.238 10 10 DGCE CC(C)[C@H]1C[C@@]1(NC(=O)OC(C)(C)C)c1cc(N)ccc1O 1953007220 CKZGUSWLPBNVRP-CXAGYDPISA-N 306.406 3.370 10 10 DGCE CC[C@H](CN(C)Cc1ccc(N)cc1)NC(=O)OC(C)(C)C 1961907294 KKHCGDVUWAAOEK-OAHLLOKOSA-N 307.438 3.004 10 10 DGCE Oc1cc(F)ccc1CNC[C@@H]1CCCN1Cc1ccccc1 1964572154 KVAFLCKULRNIRJ-SFHVURJKSA-N 314.404 3.286 10 10 DGCE Cc1ccc(O)c([C@H](C)N[C@@H]2CCCC3(CC2)OCCO3)c1 1967523716 ONROTNCYICJKGT-LSDHHAIUSA-N 305.418 3.427 10 10 DGCE Oc1c(Br)cc(Cl)cc1CN[C@@H]1[C@H]2CC[C@H]21 1976582647 PXSQVZYHRNTHBF-JZYVYDRUSA-N 302.599 3.306 10 10 DGCE CCN1CCc2cc([C@@H](O)CCNC(=O)OC(C)(C)C)ccc21 1977958605 NPXABUFZJJTHPP-INIZCTEOSA-N 320.433 3.017 10 10 DGCE CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H]1CCN2CCCN=[N+]=[N-] 1991821873 UFZRJTZHADXJDT-CJNGLKHVSA-N 323.441 3.456 10 10 DGCE CO[C@H](C)CCN(C)Cc1c(O)cccc1Br 2009690681 VREXHAKOLLSZLM-SNVBAGLBSA-N 302.212 3.012 10 10 DGCE C[C@H](F)[C@@H]1CCCN1Cc1cc(Br)ccc1O 2010592279 VIZORDFXQLQXRW-CABZTGNLSA-N 302.187 3.477 10 10 DGCE CC[C@@]1(CNCc2ccc(Br)cc2O)CCCO1 2030258843 QRJUMRWTNSJIPX-AWEZNQCLSA-N 314.223 3.204 10 10 DGCE CC[C@@H](c1cc(Br)ccc1O)N(CC)C[C@@H](C)N 2041174839 AEVVUYZJNIZLIN-MFKMUULPSA-N 315.255 3.275 10 10 DGCE CC[C@H](NCc1cnco1)c1cc(Br)ccc1O 2043697489 NNLQMQOUJOGWIM-LBPRGKRZSA-N 311.179 3.384 10 10 DGCE COc1ccc(Cn2nc(C3CCCC3)cc2C=O)c(O)c1 2070050385 PFLUWJOCPSBXBP-UHFFFAOYSA-N 300.358 3.116 10 10 DGCE C[C@]12C[C@@H]1CN(c1ccc(C=CC(=O)O)c(Br)c1)C2 2096037948 KLQADPRJAFSKQQ-IAQYHMDHSA-N 322.202 3.393 10 10 DGCE CCCN[C@H](CC1OCCO1)c1ccc(N(CC)CC)cc1 2106830348 FYVFEHTUXCRQAT-QGZVFWFLSA-N 306.450 3.337 10 10 DGCE CC1(C)CC(CO)(NCc2cc(Cl)cc(Cl)c2O)C1 2107254560 PZLQZNRJGLXVNN-UHFFFAOYSA-N 304.217 3.340 10 10 DGCE CCCN=c1nc(Sc2nccs2)c2c([nH]1)CCCC2 2158259282 ZGWKLKVAYXKCJP-UHFFFAOYSA-N 306.460 3.207 10 10 DGCE CC[C@@H]1[C@@H](Sc2nccs2)CC[C@]1(NC(C)C)C(=O)O 2179114916 QPAUKNOPBVALBK-UHIISALHSA-N 314.476 3.245 10 10 DGCE CCO[C@H](CNCc1cc(Cl)cc(OC)c1O)C(C)C 2188360299 BFTNDBVSOVKZKX-CQSZACIVSA-N 301.814 3.205 10 10 DGCE CC[C@](C)(COC)NCc1ccc(C)c(Br)c1O 2327622624 ZKTXHLWHYDYNPL-CQSZACIVSA-N 316.239 3.368 10 10 DGCE COC[C@H](C)[C@H](C)NCc1ccc(C)c(Br)c1O 2327625076 YCQVOOYROSVZGT-QWRGUYRKSA-N 316.239 3.224 10 10 DGCE Cc1ccc(CN[C@@H]2C[C@@]23CC3(F)F)c(O)c1Br 2327792405 JMJYZGVIVBVFDI-BXKDBHETSA-N 318.161 3.350 10 10 DGCE Cc1ccc(CN[C@H](C)c2ncccn2)c(O)c1Br 2352675442 GREUPLCDCMCHRI-SNVBAGLBSA-N 322.206 3.104 10 10 DGCE CSC1(CNCc2cc(OC(F)(F)F)ccc2O)CC1 2361169355 UOXCIMZPIHMGAU-UHFFFAOYSA-N 307.337 3.276 10 10 DGCE CN(C)c1ccc(Cn2ccnc2Cc2ccc(N)cc2)cc1 82734797 YDWGNSFSWPRSHJ-UHFFFAOYSA-N 306.413 3.170 10 10 DGCE C[C@H](c1cc(Br)ccc1O)N(C)C1CCOCC1 132321662 YOSXQOLELAOJEW-SNVBAGLBSA-N 314.223 3.327 10 10 DGCE Cc1ccc(OC(F)F)c(CNC(=O)Cc2ccc(N)cc2)c1 162015432 AENXIDPJXRCESU-UHFFFAOYSA-N 320.339 3.038 10 10 DGCE COc1ccc(O)c(CNC(=O)c2cccn2C2CCCC2)c1 182508049 YPEGHOCYVNJWNO-UHFFFAOYSA-N 314.385 3.247 10 10 DGCE Cc1ccc([C@H](C)N[C@H](C)Cc2c(C)nn(C)c2C)c(O)c1 185559664 GQZXTGZTHYWXRZ-OLZOCXBDSA-N 301.434 3.333 10 10 DGCE Cc1nnc(CN(C)c2ccc(OC(C)C)cc2)n1C1CC1 191587037 JOZHVPOEPCIUJS-UHFFFAOYSA-N 300.406 3.345 10 10 DGCE CC(C)(C)OC(=O)N[C@H](CC(=O)O)c1cccc(Cl)c1O 238149312 JMCPAMVPHIFCLY-SNVBAGLBSA-N 315.753 3.086 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCC[C@H]1[C@H]1CCCN1 250757590 ROYXPODUVTXNRP-KGLIPLIRSA-N 315.244 3.415 10 10 DGCE Oc1ccc2c(n1)CCC[C@@H]2NCc1cccc(Cl)c1O 271817325 CPKRUFLKTBWIQP-ZDUSSCGKSA-N 304.777 3.313 10 10 DGCE CCOc1ccc(O)c(CN2CCC3(CCC(O)CC3)CC2)c1 295164965 SRWKOCWYHMSWGA-UHFFFAOYSA-N 319.445 3.308 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](NCc2cc(F)ccc2O)C1 382507369 YWENSEZJJYQSIZ-UONOGXRCSA-N 324.396 3.067 10 10 DGCE CN(CCNCc1cccc(Cl)c1O)Cc1ccccc1 386798871 BHCMOEUDJGRJSE-UHFFFAOYSA-N 304.821 3.267 10 10 DGCE Cc1oc(Br)cc1C(=O)N1CCC[C@@H](N=[N+]=[N-])C1 403622225 NCPPKPKEPZVFQZ-MRVPVSSYSA-N 313.155 3.265 10 10 DGCE CC[C@H](N)CN1C[C@](C)(C(C)C)Nc2cc(OC)c(OC)cc21 606610979 XMWOEMOMMUUVJV-SCLBCKFNSA-N 321.465 3.088 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNCCO[C@H]1CC1(F)F 690730190 HXHRERWDAVWTCN-JTQLQIEISA-N 312.143 3.213 10 10 DGCE C[C@@H](CNCc1cc(Br)ccc1O)[C@H]1CCCO1 720531215 XMPPGGSEKHBPDQ-IINYFYTJSA-N 314.223 3.059 10 10 DGCE CCN(CCNC(=O)OC(C)(C)C)c1ccc(OC)c(OC)c1 747682229 WACHPDQOMHWQAN-UHFFFAOYSA-N 324.421 3.055 10 10 DGCE CCOc1ccc(CN2CCC(CN3CCCC3)CC2)c(O)c1 768304133 SMJGFZSNZHQQSE-UHFFFAOYSA-N 318.461 3.099 10 10 DGCE Cc1nc2ccc(C(=O)NCc3ccc(N(C)C)cc3C)cc2o1 791595726 XPCHHYPVNCXVKI-UHFFFAOYSA-N 323.396 3.441 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2C[C@H]2C2CC2)cc1 797577712 LTXFHKYJXRETSM-ZWKOTPCHSA-N 315.461 3.473 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@@H]1C(F)F 800833310 PCXPCBUXSGSDDX-GJZGRUSLSA-N 310.388 3.391 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCOCC3)C2)cc1 816300418 XTDJIFSCKQZPNT-UHFFFAOYSA-N 324.424 3.347 10 10 DGCE Cc1c(Cl)c(CNCCCSc2nccs2)nn1C 817408148 FILUKHXZWWSJSW-UHFFFAOYSA-N 316.883 3.110 10 10 DGCE COc1ccc2c(c1)CCCCN2Cc1cn(CC2CC2)nn1 828569539 PQHYYZQWQAVMKQ-UHFFFAOYSA-N 312.417 3.040 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](OC)C2CCCCC2)c1 830540823 NXJDMLBCJMDCNS-PXAZEXFGSA-N 321.417 3.173 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@H](CCO)c2ccccc2)cc1 835039294 CSTKMNLJKUCLGC-ROUKRRSUSA-N 310.441 3.479 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)c2[nH]ccc2C2CC2)c1 837485645 PSKUSRGGNOOZCM-JTQLQIEISA-N 300.358 3.097 10 10 DGCE Fc1cc(CNC2(C3CCC3)CCC2)ccc1N1CCOCC1 839186933 RAKOBDIZKNNGDD-UHFFFAOYSA-N 318.436 3.475 10 10 DGCE Cc1cc(O)c(CN2CCC[C@@H](c3n[nH]c(C)n3)C2)c(Cl)c1 840920253 UNHZHQLBHGUHFK-GFCCVEGCSA-N 320.824 3.160 10 10 DGCE C[C@H](O)[C@H](NCc1cc(Cl)ccc1O)c1ccccc1F 846017949 RIMPFWQBVWTVPK-QFYYESIMSA-N 309.768 3.396 10 10 DGCE C[C@@H](NC[C@@H]1C(C)(C)C1(F)F)c1cc([N+](=O)[O-])ccc1O 850550990 FXQPENNIUNFHNR-PRHODGIISA-N 300.305 3.242 10 10 DGCE Cc1cc(CN2C[C@H]3COC[C@@]3(C)C2)c(O)c(C(C)(C)C)c1 853565088 AFJLZWOLGJGARC-HNAYVOBHSA-N 303.446 3.466 10 10 DGCE COc1ccc2c(c1)N(C(=O)/C(C)=C\c1cccnc1)CCC2 856078546 TYRWMWGGZCKHBC-KAMYIIQDSA-N 308.381 3.473 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@H]3CCCc4ncccc43)C2)cc1 866384946 GUUFUQHVTKBLLX-QRWLVFNGSA-N 323.440 3.336 10 10 DGCE C[C@H](N[C@H](C)c1ccnn1C)c1ccc(Br)cc1O 866613566 IECRKAXTGUSQFS-VHSXEESVSA-N 324.222 3.300 10 10 DGCE CC(C)SCCNC(=O)c1cc2cc(O)c(O)cc2s1 897756140 DRBPWPRLORAOKP-UHFFFAOYSA-N 311.428 3.184 10 10 DGCE O=C(c1cc2cc(O)c(O)cc2s1)N1CCC12CCCC2 898268630 INJSEGTYUWPZRK-UHFFFAOYSA-N 303.383 3.471 10 10 DGCE C[C@H](N[C@@H](CCN(C)C)c1cccnc1)c1cc(F)ccc1O 903381875 ZJUPOCXANYVBII-GUYCJALGSA-N 317.408 3.270 10 10 DGCE O=C(Nc1cc2c(cn1)CCCC2)N1Cc2cccc(O)c2C1 931509758 ADJLUCJJFDVLST-UHFFFAOYSA-N 309.369 3.214 10 10 DGCE Cc1cccc(O[C@@H](C)C(=O)NCc2cc(Cl)ccc2O)c1 1165499264 YLRKAHZDKJTKOY-LBPRGKRZSA-N 319.788 3.438 10 10 DGCE c1cc(N2CCCC2)ccc1CNC[C@@H]1CCC2(CCC2)O1 1262031197 KBYYXSBERFKECC-SFHVURJKSA-N 300.446 3.478 10 10 DGCE CC(C)CN(C)CCCNCc1ccc(N2CCCC2)cc1 1346193864 AQWOTUQFQRJQRU-UHFFFAOYSA-N 303.494 3.354 10 10 DGCE CN(C)c1ccc(CN2CCN(CC3CCCCC3)CC2)cc1 1473130401 YOFUFZACCASFFI-UHFFFAOYSA-N 315.505 3.451 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@@]23C[C@@H]2COC3(C)C)cc1 1532204172 FPEUZMKULFRTMW-UZLBHIALSA-N 324.424 3.391 10 10 DGCE O=C(/C=C/c1cccc(F)c1)NCc1ccc2cccnc2c1O 1639624686 GBJVCPSENADIEQ-RMKNXTFCSA-N 322.339 3.409 10 10 DGCE C[C@H](NC(=O)CNc1cccc(Cl)c1)c1ccccc1O 1643742016 KFSNELRUECQYKZ-NSHDSACASA-N 304.777 3.335 10 10 DGCE O=C(NCc1cc(O)ccc1O)c1ccc(SC2CC2)cc1 1651225413 IOFAELWAMIYWTB-UHFFFAOYSA-N 315.394 3.282 10 10 DGCE Cc1ccc(NC(=O)CCNCc2cc(Cl)ccc2O)cc1 1857854737 UGMXWIVEQPLSRS-UHFFFAOYSA-N 318.804 3.472 10 10 DGCE COc1cc(NN=NCCCOC(C)C)cc(OC)c1OC 1860494046 OGTFLPIECRJRRT-UHFFFAOYSA-N 311.382 3.307 10 10 DGCE CC1=NN(c2ccccn2)C(=O)/C1=C/c1cn(C)c2ccccc12 1865670510 CYWXKOYWGZSNNH-LFIBNONCSA-N 316.364 3.379 10 10 DGCE Cc1nc(Cl)c(Cl)cc1C(=O)N1CC[C@@H](N=[N+]=[N-])C1 1912169661 NIGOWZDTGCSSDS-SSDOTTSWSA-N 300.149 3.222 10 10 DGCE CN(Cc1ccccc1)C1CN(CCCc2ccc(N)cc2)C1 1914218647 XCJTUIJFNCAADD-UHFFFAOYSA-N 309.457 3.018 10 10 DGCE CC[C@@](C)(O)CN(CCc1ccc(N)cc1)Cc1ccccc1 1915164606 JFDKAEWXPLLAIS-HXUWFJFHSA-N 312.457 3.475 10 10 DGCE NCCCN(Cc1ccccc1)Cc1ccc(Cl)cc1O 1928560594 OFUCDNUILMZRFQ-UHFFFAOYSA-N 304.821 3.397 10 10 DGCE COCCCN(Cc1ccccc1)Cc1cc(N)ccc1O 1931958159 CWRLNZOJIYHTHM-UHFFFAOYSA-N 300.402 3.013 10 10 DGCE C[C@@H](NCc1ccc(O)c(O)c1)c1cnn(Cc2ccccc2)c1 1942381171 HTWFMVPKFCCHLC-CQSZACIVSA-N 323.396 3.193 10 10 DGCE CC(C)(C)OC(=O)NC[C@H]1C[C@H]2CC[C@H]1N2CCCN=[N+]=[N-] 1962298324 DIJGPCRBOZJPLQ-JHJVBQTASA-N 309.414 3.064 10 10 DGCE COc1ccc([C@@H](C)n2nc(C3CCC3)cc2C(=O)O)c(O)c1 2069859585 RVDLHLAKDYMWCS-SNVBAGLBSA-N 316.357 3.172 10 10 DGCE C[C@H](CNCc1cc(Br)ccc1O)OC(C)(C)C 2072115665 RQWYSGRPJDAWGS-SNVBAGLBSA-N 316.239 3.448 10 10 DGCE C[C@@H](c1ccccc1O)N(C)c1nccnc1Br 2072453438 QROHFDVKUVAOMK-VIFPVBQESA-N 308.179 3.142 10 10 DGCE CN(C)[C@H]1CC[C@@H](Nc2c(N)cccc2Br)CC1 2078552448 XJMTVWCOICNVIS-PHIMTYICSA-N 312.255 3.316 10 10 DGCE Oc1ccc(Cc2nc3cccc(Br)c3[nH]2)cc1O 2087726656 JROATXOAIGFUPJ-UHFFFAOYSA-N 319.158 3.327 10 10 DGCE OCc1ccc(N2CCS[C@H]3CC[C@H]32)c(C(F)(F)F)c1 2152207722 RSSAWJJVZIKYAQ-OLZOCXBDSA-N 303.349 3.282 10 10 DGCE C[C@H](c1cc(Cl)ccc1O)N1CCC[C@]12CC[S@](=O)C2 2158513104 YIUFEGPABKGJLB-PLTJGGDTSA-N 313.850 3.094 10 10 DGCE COCCNCc1ccc(N(C)CC(C)(C)F)c(Cl)c1 2165895652 CPQKLKIMGZIYBS-UHFFFAOYSA-N 302.821 3.260 10 10 DGCE CNCc1ccc(N(C)C[C@@]2(OC)CCSC2)cc1Cl 2186292979 NTCAJZGEYYNVJC-HNNXBMFYSA-N 314.882 3.018 10 10 DGCE Cn1cc(NCc2cc(Cl)ccc2O)c(Br)n1 2216797915 TZKSPJXRDIARDI-UHFFFAOYSA-N 316.586 3.154 10 10 DGCE Cc1cnc(C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])c(Br)c1 2225791597 FUWONGZMGIZSAD-NXEZZACHSA-N 324.182 3.114 10 10 DGCE Oc1cc(Br)ccc1CN[C@H]1CCC[C@H]1CF 2251056314 HQHKGPFXDXSAQD-CABZTGNLSA-N 302.187 3.383 10 10 DGCE CCN[C@]1(CO)CCCC[C@H]1CCSc1nccs1 2273067150 RAEVSNZYODEVDH-JSGCOSHPSA-N 300.493 3.156 10 10 DGCE O=C1N=C(c2ccccc2)SC1=C1C(=O)Nc2ccccc21 2297507845 APEBCTHIWKKBHI-UHFFFAOYSA-N 306.346 3.070 10 10 DGCE C[C@H]1Cc2ccccc2CN1C(=O)C=Cc1ccc(O)c(O)c1 2308001445 JSXWVHGZDIMWFP-ZDUSSCGKSA-N 309.365 3.084 10 10 DGCE Cc1cc(CNC(=O)C=Cc2ccc(O)c(O)c2)ccc1Cl 2308719820 CFKBICXBPNMKMN-UHFFFAOYSA-N 317.772 3.389 10 10 DGCE CN(c1ccc(CO)cc1Br)[C@@H]1C[C@@H]2C[C@H]1[C@H]1C[C@H]21 2330303746 AOAIPPMITXBXIY-CGOYYEKTSA-N 322.246 3.422 10 10 DGCE CC[C@@](NCc1cnc(SC)s1)(C(=O)O)C(C)(C)C 2349495159 JPXKEKNJSRNNSP-CYBMUJFWSA-N 302.465 3.234 10 10 DGCE COc1cccnc1NCc1ccc(C)c(Br)c1O 2352642478 FSWBKOKDHYSMAJ-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE CC(=O)N[C@@H](c1ccco1)c1cc(Cl)c2cccnc2c1O 87256 DQTIFNBWFWGMEC-CQSZACIVSA-N 316.744 3.412 10 10 DGCE COc1ccc(C2=NN[C@H](c3ccc(Cl)cc3)C2)c(O)c1 8472951 SFFJXILVZJKTLU-AWEZNQCLSA-N 302.761 3.493 10 10 DGCE C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)Cc1ccc(N)cc1 37805077 FONGYNDOJVRRDS-JTQLQIEISA-N 300.324 3.001 10 10 DGCE CCN1CCN(c2ccc(CNCc3ccccc3)cc2)CC1 107797555 VUNFMABBEDOQOC-UHFFFAOYSA-N 309.457 3.118 10 10 DGCE CC(C)NCc1ccc(N(C)[C@H](C)CO)c(C(F)(F)F)c1 122663189 CTLOXIRXUCVKRM-LLVKDONJSA-N 304.356 3.020 10 10 DGCE CN(Cc1ccccc1O)C(=O)Nc1cc(C2CCC2)nn1C 153679243 KASGEMUMUXXELS-UHFFFAOYSA-N 314.389 3.057 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)Cc1ccc(OC)cc1O 156850214 WOGZNEOLEAUUCL-UHFFFAOYSA-N 314.429 3.489 10 10 DGCE CC(C)c1cccc(S(=O)(=O)N(C)Cc2ccccc2O)c1 159649661 DKLUUTZXXRSLRA-UHFFFAOYSA-N 319.426 3.336 10 10 DGCE CC(C)(C)OC(=O)[C@@H]1CCN(Cc2cc(Cl)ccc2O)C1 179961506 WICJOLUONDLBOJ-LLVKDONJSA-N 311.809 3.209 10 10 DGCE C[C@H](N[C@@H]1Cc2ccccc2[C@@H]1O)c1cc(Cl)ccc1O 185465820 RNLSVBIIMRVJFK-FGDXXIHYSA-N 303.789 3.355 10 10 DGCE Oc1ccc(Cl)c(F)c1CN1CC[C@H](Oc2cccnc2)C1 191407037 MCAPARDTJKRNEH-LBPRGKRZSA-N 322.767 3.233 10 10 DGCE [N-]=[N+]=NCCCNC(=O)c1ccc(F)c(Br)c1 236181412 VOCVSNGVVZQFDL-UHFFFAOYSA-N 301.119 3.018 10 10 DGCE Cc1nc(C)c(Br)c(NCc2ccc(N)cc2)n1 323247922 CBLKCLVWPJUXTP-UHFFFAOYSA-N 307.195 3.050 10 10 DGCE NCc1ccc(N2CCC(CF)CC2)cc1Br 689482757 YGIDGDVDLJKXTR-UHFFFAOYSA-N 301.203 3.094 10 10 DGCE O=C(O)/C=C/c1ccc(N2CC[C@@H]3C[C@H]3C2)cc1Br 699271829 HGZZWFMHMFALAI-OURHSOLNSA-N 322.202 3.393 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1C[C@H]1c1ccccc1 734527126 ZVHPKMQVVSVSRQ-RBUKOAKNSA-N 323.440 3.416 10 10 DGCE CC[C@]1(C)CCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 758485931 KSINVOHEDYTAIY-DBWMJRBXSA-N 318.373 3.407 10 10 DGCE C[C@@H](N[C@@H]1CCCN(C)C1)c1cc(Cl)c(Cl)cc1O 774137138 VUIONIRYMVFXOT-NXEZZACHSA-N 303.233 3.444 10 10 DGCE Cc1cc(C)nc(NCc2cc(Br)ccc2O)n1 804827757 DVVVOZGNHRMFCE-UHFFFAOYSA-N 308.179 3.174 10 10 DGCE C[C@@H]1CO[C@H](C(F)(F)F)CN1Cc1cc(Cl)ccc1O 809696749 QCUXRVBXXHLMBX-PELKAZGASA-N 309.715 3.197 10 10 DGCE COc1cccc(CNCc2cc(-c3ccccc3)n[nH]2)c1O 809739597 PDCFTWHCILQSSJ-UHFFFAOYSA-N 309.369 3.081 10 10 DGCE CCC[C@@H]1C[C@H]1C(=O)NCc1cc(Br)ccc1O 812574051 BQHLJFUWLATDJW-BXKDBHETSA-N 312.207 3.207 10 10 DGCE Cc1cc(Cl)cc(CNCC2(CF)CCOCC2)c1O 824795435 ZGEHPYVFJCOTGV-UHFFFAOYSA-N 301.789 3.210 10 10 DGCE c1cc(N2CCCCC2)ccc1CN1CC[C@@H]2COC[C@@H]2C1 827596671 ZHCQBRWTZRXCRJ-MSOLQXFVSA-N 300.446 3.145 10 10 DGCE Cc1cc(CN2CC[C@@H]3CN(C)C[C@H]32)ccc1N1CCCCC1 829998732 NFKSQTAEIMLNCX-UYAOXDASSA-N 313.489 3.121 10 10 DGCE CCC1(O)CCC(NC/C=C\c2ccc(N(C)C)cc2)CC1 835042403 HLZUMBQYCVPJLA-WAYWQWQTSA-N 302.462 3.439 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)Cc1cc2n(n1)CCCC2 844272535 JUXXBEFYNHLYSM-UHFFFAOYSA-N 312.461 3.308 10 10 DGCE COc1cccc([C@@H](C)Nc2cccc3c2CN(C)C3=O)c1O 846173049 PSDVUEMCLMLYCQ-LLVKDONJSA-N 312.369 3.160 10 10 DGCE CCN(CC)c1ccc(CN[C@@H]2C[C@H](C)n3ncnc32)cc1F 850351657 GLIBISCRTYDPEO-SWLSCSKDSA-N 317.412 3.059 10 10 DGCE Cc1cc(Br)c(O)c(CN[C@H](C)c2nccn2C)c1 850409581 BVEKNMQRYVDHMJ-SNVBAGLBSA-N 324.222 3.047 10 10 DGCE CN(C[C@H]1CCc2ccccc21)C(=O)NCCc1ccc(N)cc1 851664519 DDWSEHRYNYNLJV-QGZVFWFLSA-N 323.440 3.183 10 10 DGCE COc1ccc(N2CC[C@H](N[C@H]3C[C@H](N)c4ccccc43)C2)cc1 854217186 KKDCPIPQSGMKDN-GKCIPKSASA-N 323.440 3.008 10 10 DGCE CCO[C@H](CN(Cc1ccccc1O)C[C@@H]1CCCO1)C1CC1 859191134 WQKXZRNMAFJBKC-PKOBYXMFSA-N 319.445 3.188 10 10 DGCE CC1(C)[C@@H](NC(=O)/C=C\c2ccc(O)c(O)c2)[C@@H]1c1ccccc1 862529825 OQIFYFDXMOCNMO-ZJLVBBDCSA-N 323.392 3.419 10 10 DGCE COc1ccccc1[C@H](C)CC(=O)N1Cc2cccc(O)c2C1 871203031 PXRLJEDEFKZIEJ-CYBMUJFWSA-N 311.381 3.437 10 10 DGCE CCCCOc1ccccc1NC[C@@H](O)C[C@](C)(O)C1CC1 872210493 BMWRFVTWXGFUIW-YJBOKZPZSA-N 307.434 3.189 10 10 DGCE COc1ccc(CNC[C@@H]2CC[C@]3(CO[C@@H](C)[C@@H]3C)O2)cc1C 886340934 NHNKGEKVRGSDAW-RIVXBTQJSA-N 319.445 3.066 10 10 DGCE COc1ccc(O)c([C@H](C)NCc2cnc3onc(C)c3c2)c1 894782197 JZHKYYSTGWDCNL-JTQLQIEISA-N 313.357 3.096 10 10 DGCE Oc1c(F)cc(F)cc1CN1CC[C@H](O)C[C@H]1c1ccccc1 895422799 OITWFUTZIWQABA-RDJZCZTQSA-N 319.351 3.368 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)NC[C@]23CCCC[C@@H]2C3)c1 924360031 ZPGPTJHEQTYMAV-VEVIJQCQSA-N 318.417 3.341 10 10 DGCE CCN(Cc1cc(C)nnc1C)c1ccc(OC)c(OC)c1 929897978 QAFXCBKSGRGTGE-UHFFFAOYSA-N 301.390 3.137 10 10 DGCE c1cc(N2CCCC2)ccc1CN[C@@H]1CCOC12CCCC2 934392188 UKRXLXAVMHSNPG-GOSISDBHSA-N 300.446 3.478 10 10 DGCE C[C@H](NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)c1ccccc1O 1151892667 VJXOAEGNRYOCSQ-QFYYESIMSA-N 317.772 3.227 10 10 DGCE Cc1cc(C)c(OCC(=O)NCc2c(O)cccc2F)c(C)c1 1178409196 ABRXCLDZEQIUAC-UHFFFAOYSA-N 317.360 3.152 10 10 DGCE Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CC[C@H](F)C1 1304794495 LCPJNBVEAZWVGQ-HIFRSBDPSA-N 318.396 3.067 10 10 DGCE COc1ccc(N(C)CC(=O)c2ccccc2F)c(OC)c1 1307597449 HNRRTFUDBCWLMP-UHFFFAOYSA-N 303.333 3.162 10 10 DGCE CCN(C)c1ccc(CN2C[C@H](C)O[C@](C)(C(F)F)C2)cc1 1560014162 LWDUNWXOOGIJSN-GUYCJALGSA-N 312.404 3.387 10 10 DGCE Cc1ccc(Cl)c2c1N(C(=O)/C=C\c1cn(C)cn1)CCC2 1596590688 VTIHAXWQVBAMKI-VURMDHGXSA-N 315.804 3.375 10 10 DGCE Cc1cccc2c(CC(=O)N3Cc4cccc(O)c4C3)c[nH]c12 1636231159 TXDBYUFRYXEJFS-UHFFFAOYSA-N 306.365 3.267 10 10 DGCE Cc1onc(-c2cccnc2)c1C(=O)N[C@@H](C)c1ccccc1O 1642831218 SYXNGKZTGUTZAP-NSHDSACASA-N 323.352 3.242 10 10 DGCE O=C1/C(=C\c2ccc[nH]2)C(C(F)(F)F)=NN1c1ccccc1 1865678112 UTXZESAKXRUUKA-XFXZXTDPSA-N 305.259 3.363 10 10 DGCE CN1N=C(C(F)(F)F)/C(=C/c2ccc(C(F)(F)F)cc2)C1=O 1865678803 FLLVFENOGPIKMC-TWGQIWQCSA-N 322.208 3.479 10 10 DGCE N[C@@H]1CN(c2ccc(OCc3ccccc3)cc2)C[C@H]1C(F)F 1899861724 KGRLYCMOMRRQIY-IAGOWNOFSA-N 318.367 3.294 10 10 DGCE O[C@@H]1C[C@@H]2CN(c3ccc(OCc4ccccc4)cc3)CC[C@H]21 1899862115 DPMLDHDOSYEHOL-NSISKUIASA-N 309.409 3.473 10 10 DGCE OC[C@@H]1[C@@H]2CCN(c3ccc(OCc4ccccc4)cc3)C[C@@H]12 1899864873 ISSYWGKHKKWQSZ-VAMGGRTRSA-N 309.409 3.330 10 10 DGCE C[C@@H](CO)N(Cc1ccccc1)c1ccc(CN)c(C2CC2)c1 1901158691 KKGGMOXMVLVLPL-HNNXBMFYSA-N 310.441 3.410 10 10 DGCE CN[C@H](c1ccccc1O)[C@]1(CNC(=O)OC(C)(C)C)C[C@@H]1C 1940040494 BVKCWPYNSULKMF-PNPHSEOMSA-N 320.433 3.204 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H]2CN(CCN=[N+]=[N-])CC[C@H]21 1962287606 KXOFNFDNXLUFHU-CHWSQXEVSA-N 309.414 3.018 10 10 DGCE C[C@@H](Cc1nccn1C)NCc1cc(Cl)cc(Cl)c1O 1964057946 UGORIFUBKLEUAN-VIFPVBQESA-N 314.216 3.153 10 10 DGCE CN(C)c1ccc([C@H](N)[C@@H](NC(=O)OC(C)(C)C)C2CC2)cc1 1977944646 ITSQNTJUEFZEGV-HOTGVXAUSA-N 319.449 3.056 10 10 DGCE CC(C)Cc1cnn(Cc2ccc([N+](=O)[O-])cc2O)c1Cl 2070289071 IPZPJMVZLSYBQC-UHFFFAOYSA-N 309.753 3.397 10 10 DGCE CNCc1ccc(N(C)C[C@H]2C[C@@H]2CF)cc1Br 2071378864 HRWHBHBVVRHVDY-VXGBXAGGSA-N 315.230 3.210 10 10 DGCE Cc1cc(O)c([C@H](C)n2nc(C(C)C)c(C(=O)O)c2N)cc1C 2079958828 RURNDVUJDQAKDW-NSHDSACASA-N 317.389 3.219 10 10 DGCE COC[C@]1(C)CCCN1Cc1cccc(Br)c1O 2084138144 NBNCPTSOQBHTCC-AWEZNQCLSA-N 314.223 3.156 10 10 DGCE Cc1cc([C@@H](O)[C@@H](N)c2ccccc2O)ccc1Br 2091868642 UAHVTZPFZGFBNX-LSDHHAIUSA-N 322.202 3.197 10 10 DGCE C[C@@H]1CCC[C@@H]1CS(=O)(=O)Nc1ccc(O)cc1Cl 2093556307 CIBUYNMTZPSCCG-NXEZZACHSA-N 303.811 3.224 10 10 DGCE CC[C@H]1CNCCCN1Cc1cc(Cl)cc(Cl)c1O 2102916160 VMKCFNVWOBHIBY-LBPRGKRZSA-N 303.233 3.273 10 10 DGCE CNCc1ccc(N(C)[C@H]2[C@H]3[C@H]4C[C@@H]2C[C@H]43)c(Br)c1 2134330512 QKANXBMQKDHLSA-ZNZZXWJUSA-N 321.262 3.259 10 10 DGCE CC1(C)[C@H](O)CC[C@H]1NCc1cc(Cl)cc(Cl)c1O 2142138221 XSASGPVULOZGME-VXGBXAGGSA-N 304.217 3.338 10 10 DGCE CSc1ccc([C@@H](O)[C@H](N)c2ccc(N(C)C)cc2)s1 2163144688 NUUNVWAMEXLKPP-HUUCEWRRSA-N 308.472 3.269 10 10 DGCE CCN(C(=O)OC(C)(C)C)[C@](C)(CO)c1ccc(N(C)C)cc1 2211009617 ZNVLNEVNZKWMDL-GOSISDBHSA-N 322.449 3.217 10 10 DGCE CCCCCNCc1c(Br)ccc(OC)c1O 2214867451 OQDGVIHPKRASMF-UHFFFAOYSA-N 302.212 3.443 10 10 DGCE COc1ccc(Br)c(CNC2CC(C)(C)C2)c1O 2220462407 KZDPFUMDOCFJDV-UHFFFAOYSA-N 314.223 3.442 10 10 DGCE C[C@@H](O)c1ccc(N(C)CC2(F)CCOCC2)c(Cl)c1 2238273782 YEXBJDOUTWTPET-LLVKDONJSA-N 301.789 3.348 10 10 DGCE CC(F)(F)c1ncc(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])s1 2289297022 PBYNAJAZENJHCI-RQJHMYQMSA-N 301.322 3.216 10 10 DGCE Cc1c(C=CC(=O)N(CC(F)(F)F)c2ccccc2)cnn1C 2304258248 LRSXQVZNOHESIY-UHFFFAOYSA-N 323.318 3.337 10 10 DGCE C[C@@H]1CCCCN1C1=NC(=O)C(=Cc2ccc(O)cc2)S1 2313518143 MVFWIZLYVFVKGD-LLVKDONJSA-N 302.399 3.237 10 10 DGCE CCN1N=C(c2ccccc2)C(=Cc2cc(C)ccc2O)C1=O 2332105270 NZJCRIWVZUZBSK-UHFFFAOYSA-N 306.365 3.350 10 10 DGCE O=C(O)C1(Sc2nccs2)CC2(C[C@H]2C(F)(F)F)C1 2351865669 QXGWFTOGROLQQO-STOUBEHRSA-N 309.334 3.421 10 10 DGCE CC(=O)c1ccc(O)c(CN2CC[C@H](SC(F)F)C2)c1 2365712096 PZVZLCSUSOIMQK-LBPRGKRZSA-N 301.358 3.125 10 10 DGCE C[C@@H](N)c1ccc(N2CCN(C3CCCC3)CC2)c(Cl)c1 61698186 AZYLDBJACDPLHY-CYBMUJFWSA-N 307.869 3.424 10 10 DGCE CCc1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)c(C)n1 185756739 JNKNFBJMISLJOX-UHFFFAOYSA-N 315.392 3.088 10 10 DGCE CN[C@H]1C(=O)Nc2cc(N3CCCCC[C@@H]3C)c(Cl)cc21 221204111 FSPSLDXNZFWEHI-ZUZCIYMTSA-N 307.825 3.322 10 10 DGCE CC(=O)N(C(=O)Oc1ccc2c(c1)CCC2)c1ccc(N)cc1 244220989 VZUZODVVTMOLIG-UHFFFAOYSA-N 310.353 3.309 10 10 DGCE CCCc1ncc(CNCc2ccc(OC)c(COCC)c2)o1 825084994 ICFOFUWVSUTREI-UHFFFAOYSA-N 318.417 3.462 10 10 DGCE CC(C)c1csc(NC(=O)NCc2c(O)cccc2F)n1 902945667 VFRMLUGNEQAPCO-UHFFFAOYSA-N 309.366 3.433 10 10 DGCE NCc1ccc2c(c1)CCCN2C[C@H]1CC[C@@H](C(F)(F)F)O1 903423530 WAKQIVJRRIGZSI-HIFRSBDPSA-N 314.351 3.008 10 10 DGCE CC(=O)C[C@@H](C)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C 830872866 FZIMAVCDJUDRLM-CYBMUJFWSA-N 312.413 3.120 10 10 DGCE Cc1ccccc1C1=NO[C@@H](C(=O)N[C@@H](C)c2ccccc2O)C1 913763970 XJDUQKQHVPHYHK-SCLBCKFNSA-N 324.380 3.071 10 10 DGCE C[C@@H]1CC[C@H](NCc2ccc(N3CCC(O)CC3)cc2)CS1 850406849 WMBRMEYVPDACPB-ZBFHGGJFSA-N 320.502 3.021 10 10 DGCE Cc1cnc(CCN(C)Cc2c(O)ccc3ccncc23)s1 754794787 QSMPEFNWLGWRDK-UHFFFAOYSA-N 313.426 3.380 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)[C@H](OC)C1CCC1 854374102 PJWFIRSBENYHQU-QGZVFWFLSA-N 305.418 3.336 10 10 DGCE CC[C@H](C)[C@@H](C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855224171 FHLYIXRCSWOJAI-RRFJBIMHSA-N 304.434 3.072 10 10 DGCE Cc1cc(O)c(CNc2cccc3c2CCN(C)C3=O)cc1C 850384021 XXPSBVDTKQSVGQ-UHFFFAOYSA-N 310.397 3.249 10 10 DGCE CC1(C)OC[C@H]2C[C@]21NCc1ccc(N2CCCCC2)cc1 858228663 IXNNMMDLVJVINI-APWZRJJASA-N 300.446 3.334 10 10 DGCE Nc1ncccc1OCc1ccc(Br)c(F)c1F 700987227 FJJDWJFVDZCJQN-UHFFFAOYSA-N 315.117 3.284 10 10 DGCE CCN(C)c1ccc([C@H](C)N[C@@H]2[C@@H]3C[C@@H]4[C@@H]2OC[C@@H]4C3)cc1 866444831 KORJKWXVXNENAP-DGARUKMUSA-N 300.446 3.217 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCO[C@@H](C(F)F)CC2)cc1 872253702 DVPSGKNWVYIACI-MJSXRHKHSA-N 310.388 3.122 10 10 DGCE Cc1cc(Br)c(O)c(CN[C@@]2(C)CCCOC2)c1 781638648 MWVCBMHZZPCQEF-AWEZNQCLSA-N 314.223 3.122 10 10 DGCE COc1ccc(CNC(=O)N[C@H](C)c2cccs2)c(O)c1 792795312 SADQUNMYFUYVFR-SNVBAGLBSA-N 306.387 3.023 10 10 DGCE OCc1ccc(Br)cc1NCc1ccccc1O 798500252 RNKZMSPEXGJCRE-UHFFFAOYSA-N 308.175 3.259 10 10 DGCE COc1ccc(Br)c(CNC(C)(C)C2CC2)c1O 1964048765 PNGQXKVHVMHVPZ-UHFFFAOYSA-N 314.223 3.442 10 10 DGCE CN(CCCCN=[N+]=[N-])C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1962305569 UBNDOIBPXKFLMC-ZDUSSCGKSA-N 311.430 3.266 10 10 DGCE Nc1ccc(N2C[C@@H]3CN(Cc4ccccc4)CC[C@H]3C2)cc1 394605551 YXTJKVKOMVLCQM-ROUUACIJSA-N 307.441 3.227 10 10 DGCE Nc1cccc(Cl)c1NC1[C@@H]2CN(Cc3ccccc3)C[C@@H]12 398305538 PCJHAVQVQGVJJM-ZIAGYGMSSA-N 313.832 3.465 10 10 DGCE [N-]=[N+]=NCCCNC(=O)c1cc(F)cc(Br)c1 42013131 FROCNEDRAMNQBJ-UHFFFAOYSA-N 301.119 3.018 10 10 DGCE C[C@@H](NCc1ccc(Br)cc1O)[C@@H]1CCCCO1 691467561 IEMDSQRDDNTSMM-YGRLFVJLSA-N 314.223 3.202 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)/C=C/c1ccco1 1436857677 VCZUBGXGMJCHOF-BOLDSZDNSA-N 312.413 3.415 10 10 DGCE C[C@H](NC(=O)c1c(Cl)nc2ccccn12)c1ccccc1O 1454815473 GCIVHDMZPVVPQP-JTQLQIEISA-N 315.760 3.184 10 10 DGCE COC(=O)c1ccc(F)c(CN[C@H](C)c2ccccc2O)c1 1473722843 PZAFOABXKSMLHU-LLVKDONJSA-N 303.333 3.169 10 10 DGCE COc1cccc(F)c1C(=O)NCc1cc(Cl)ccc1O 1644590995 YOCDONKVFBRTFQ-UHFFFAOYSA-N 309.724 3.123 10 10 DGCE CCC(=O)c1ccc(NCc2cc(O)ccc2O)c([N+](=O)[O-])c1 1651380787 KEXZFIYUCZYGSC-UHFFFAOYSA-N 316.313 3.211 10 10 DGCE CC[C@H]1CCOCCN1Cc1cccc(Br)c1O 1913697790 PQAPMDFHCMYDED-LBPRGKRZSA-N 314.223 3.156 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1C[C@@H](C)[C@@H](C)C1 1673745069 RAWAGXTUISJNRZ-XHSDSOJGSA-N 317.477 3.289 10 10 DGCE CCOC(=O)C1CCN(/N=N/c2cc([N+](=O)[O-])ccc2C)CC1 1860483588 ADOOSOOTUVAQKU-WUKNDPDISA-N 320.349 3.177 10 10 DGCE COC(=O)c1cccc(C(C)(C)/N=N/C(=O)OC(C)(C)C)n1 699286831 KNNYFVSBUMHEIH-ISLYRVAYSA-N 307.350 3.491 10 10 DGCE CN(Cc1ccccc1)C1CN(c2ccc(CO)cc2Cl)C1 1914211714 GWZJSNDWEOZZQP-UHFFFAOYSA-N 316.832 3.153 10 10 DGCE CNCc1ccc(N(C)[C@@H]2C3C[C@@H]4C2[C@@H]4C3)c(Br)c1 2134321062 QKANXBMQKDHLSA-YTZACSOWSA-N 321.262 3.259 10 10 DGCE C[C@H](O)c1ccc(N(CCCO)Cc2ccccc2)c(F)c1 1914642627 DBRLHBBDVZOLLO-AWEZNQCLSA-N 303.377 3.268 10 10 DGCE CN(CC1=CCSC1)c1ccc(CN)c(C(F)(F)F)c1 1916817267 ZXPVCKYHXWOQLF-UHFFFAOYSA-N 302.365 3.274 10 10 DGCE CN[C@H](C)c1ccc(N(C)Cc2ccno2)cc1Br 2137782625 VUVVAFFPCOAPKJ-SNVBAGLBSA-N 324.222 3.354 10 10 DGCE CC(C)(C)OC(=O)N[C@]1(C)CCC[C@@H]1[C@H](N)c1ccccc1O 1937394419 YVKHZSSDKBGYDL-DDUZABMNSA-N 320.433 3.476 10 10 DGCE CN1C(=O)[C@H](N)c2ccc(N(Cc3ccccc3)C(C)(C)C)cc21 1946875639 CVXVNQIFIRIELD-GOSISDBHSA-N 323.440 3.468 10 10 DGCE C[C@@H]1[C@@H](CNCc2c(O)cccc2Br)C1(F)F 1947963132 VIKZISIJBLQNTQ-VXNVDRBHSA-N 306.150 3.146 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H]1CCOc1ccc(N)cc1 1952853643 NJTAZTCUDAVFJL-AWEZNQCLSA-N 306.406 3.437 10 10 DGCE Nc1ccc(CN[C@@H]2CCCN(Cc3ccccc3)CC2)cc1 1976786968 HXBJSGFWYMVFOW-HXUWFJFHSA-N 309.457 3.413 10 10 DGCE Cc1cccc(O)c1CN[C@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1 1976875091 DKTWMTALBDYHTG-KBPBESRZSA-N 320.433 3.188 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2CCCN(c3ccc(N)cc3)[C@H]2C1 1977967121 CFHNPGNVFXBXJV-CJNGLKHVSA-N 317.433 3.105 10 10 DGCE Cc1ccc(CN[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C)c(O)c1 1994456290 JXLJWGUFNKXYLD-DZGCQCFKSA-N 320.433 3.046 10 10 DGCE Nc1ccc(CCOCc2ncc(Br)s2)cc1 2007425266 CPMTWTGLXQFENU-UHFFFAOYSA-N 313.220 3.247 10 10 DGCE C[C@@H](N)c1ccc(N2CCn3ncc(Cl)c3C2)c(Cl)c1 2154039992 GXKFVXMNMZNAHE-SECBINFHSA-N 311.216 3.230 10 10 DGCE C[C@@H]1C[C@H](CCNCc2cc(Br)ccc2O)CO1 2041472439 SNRQUEMBMILCOI-MNOVXSKESA-N 314.223 3.059 10 10 DGCE C[C@H](N)c1ccc(N2C[C@H]3C[C@H]2[C@H]2C[C@@H]32)c(Br)c1 2041531834 CTWIJFZGOBJDKG-BPKGBABQSA-N 307.235 3.313 10 10 DGCE C[C@@H](N[C@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2)c1ccccc1O 400713908 MYKOOPWPGZSYKG-FIRUKDTASA-N 318.417 3.051 10 10 DGCE COCCN(CCF)c1ccc(CNC2CC2)c(Cl)c1 697278389 PVZXCSLRPBGHDS-UHFFFAOYSA-N 300.805 3.014 10 10 DGCE CCOC(=O)c1cc(C2CC2)nn1Cc1c(O)cccc1Cl 2069922629 SAJAUOAMVVUFNW-UHFFFAOYSA-N 320.776 3.345 10 10 DGCE COC(=O)c1cc(C2CCC2)nn1Cc1cc(Cl)ccc1O 2069982748 WAXDCDWMMWNQRX-UHFFFAOYSA-N 320.776 3.345 10 10 DGCE C[C@@H]1CC(F)(F)CN1c1ccc(CN)c(Br)c1F 2052002198 VIRHTFATWTXXJA-SSDOTTSWSA-N 323.156 3.281 10 10 DGCE Oc1cccc(Br)c1CNC[C@@H]1C2C[C@@H]3C1[C@@H]3C2 2070865607 ASYLRIVCRNCNPG-HVGFFAFRSA-N 308.219 3.146 10 10 DGCE C[C@H](F)CN1CCN([C@H](C)c2ccc(Cl)cc2O)CC1 2203349760 ZQEFKOCDYIYBNC-NWDGAFQWSA-N 300.805 3.082 10 10 DGCE Nc1ccc(CNc2cc(Br)nn2CC2CC2)cc1 2224998971 AXVDZAXEKPRMCE-UHFFFAOYSA-N 321.222 3.250 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)c2c(Cl)cncc2Cl)C1 2227696215 MRZUFLWMCRWBRT-ZETCQYMHSA-N 300.149 3.303 10 10 DGCE CNCc1ccc(N2CCC(OC(F)F)CC2)cc1Cl 2238871515 LGYNEAQDIHSZBM-UHFFFAOYSA-N 304.768 3.267 10 10 DGCE C[C@@H](SC1CC(C(F)F)C1)C(=O)Nc1ccc(N)cc1 2241034968 OXJYWBGSHHEGBM-YDNLMGDJSA-N 300.374 3.373 10 10 DGCE CCCc1nc(Cl)cc(=NCc2cnc(SC)s2)[nH]1 2269276279 CUDDRVUREGGOQJ-UHFFFAOYSA-N 314.867 3.295 10 10 DGCE COc1ccccc1C(C)=CC(=O)N(C)Cc1ccccc1O 2297454614 JZSALVPHSFNKJW-UHFFFAOYSA-N 311.381 3.463 10 10 DGCE C[C@H]1C[C@@H]1c1ccc(C=CC(=O)NCc2ccc(O)c(O)c2)o1 2301402082 OYHRBBNJYBJFOP-FZMZJTMJSA-N 313.353 3.144 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)N1CC[C@@H](c2ccccc2)C1 2307986850 IEFPCAXRDKFKFM-MRXNPFEDSA-N 309.365 3.127 10 10 DGCE CC1(CNC(=O)C=Cc2ccc(O)c(O)c2)Cc2ccccc2C1 2308009260 JPNHIXXOGOLMIZ-UHFFFAOYSA-N 323.392 3.032 10 10 DGCE Cc1ccc(CNC[C@@H]2CC[C@@H](C)O2)c(O)c1Br 2327623525 INFHUAOHCWZZQI-PWSUYJOCSA-N 314.223 3.120 10 10 DGCE CCN(Cc1ccc(C)c(Br)c1O)C[C@H](C)OC 2327799566 XHNDOGRQQKCVSE-NSHDSACASA-N 316.239 3.320 10 10 DGCE Cc1ccc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)cc1 102465448 JDCCGIBORCPKHN-NLFVLIHZSA-N 312.398 3.270 10 10 DGCE CC(C)c1nc(CC(=O)N(C)Cc2ccccc2O)cs1 53916277 QTYXNLOTXRFGDB-UHFFFAOYSA-N 304.415 3.173 10 10 DGCE C[C@@H](Nc1cncc(Br)c1)c1ccc(O)cc1O 302541800 YTPYPAXRIPJXLX-MRVPVSSYSA-N 309.163 3.428 10 10 DGCE CC(C)CCOC(=O)/C=C/c1ccc(N2CCOCC2)cc1 66656273 BQBNFJPLFBJLKW-VMPITWQZSA-N 303.402 3.126 10 10 DGCE Oc1cccc(Cl)c1CNc1ccc(-n2cccn2)nc1 127272351 WXDYTSLUQSBRDD-UHFFFAOYSA-N 300.749 3.238 10 10 DGCE Nc1ccc(OCCCn2ccc3ccc(F)cc3c2=O)cc1 75253770 ITODYIKHDQZPQM-UHFFFAOYSA-N 312.344 3.192 10 10 DGCE Cc1cc(N)c(Cl)cc1N1C(=O)CC2(CCCC2)CC1=O 229134480 YTXYEUWSZHOQKS-UHFFFAOYSA-N 306.793 3.444 10 10 DGCE CCN[C@@H]1C(=O)Nc2cc(N3CCC[C@@H](C)C3)c(Cl)cc21 221188724 AQCUHQOQLMEHFR-BMIGLBTASA-N 307.825 3.179 10 10 DGCE COc1cccc2c1C(=O)c1cc3ccccc3c(O)c1C2=O 196328036 ZDRGBHDHCHHZPN-UHFFFAOYSA-N 304.301 3.329 10 10 DGCE CCNc1ncnc(Sc2nccs2)c1Br 233699591 WTZAXVHQKMYZPW-UHFFFAOYSA-N 317.237 3.279 10 10 DGCE C[C@H]1CN(CCCCN[C@H](C)c2cc(F)ccc2O)C[C@@H](C)O1 248484164 DFKKSPCJDHUVNU-QLFBSQMISA-N 324.440 3.071 10 10 DGCE CCC[C@@H](CC)NC(=O)/C=C\c1ccc(N2CCOCC2)cc1 255917154 QLWGSYHZMVWTIN-SDMNGIDPSA-N 316.445 3.231 10 10 DGCE O=C1CCN(Cc2cc(Cl)ccc2O)c2ccccc2N1 811508625 ZWPGFGMMSLGXLK-UHFFFAOYSA-N 302.761 3.394 10 10 DGCE CC(C)(C)C(C)(C)C(=O)NCc1ccc(N2CCOCC2)cc1 814358336 OSZSCICOYLJNLN-UHFFFAOYSA-N 318.461 3.212 10 10 DGCE CC(C)OC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 586478840 BEMVZXDKVHHTPM-UHFFFAOYSA-N 309.321 3.419 10 10 DGCE CCc1cccc(CN2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c1O 848907407 CSWWCGBLTNZREC-YZVOILCLSA-N 319.445 3.113 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)NC[C@@]23CCCC[C@H]2C3)c1 924360030 ZPGPTJHEQTYMAV-LXIYXOSZSA-N 318.417 3.341 10 10 DGCE C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)NCCc1ccc(N)cc1 841809512 ZWYZSNVEYIFMKA-FZKQIMNGSA-N 309.413 3.044 10 10 DGCE C[C@H](NC(=O)NCC1C[C@@H]2CC[C@H](C1)S2)c1ccccc1O 924325213 FWTYSICCATXIFS-FUDCBSFHSA-N 320.458 3.427 10 10 DGCE C/C=C/C[C@@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 863820392 YEMFOPBBBSQJIW-IWHJLEOFSA-N 301.386 3.316 10 10 DGCE CC(C)[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C1CC1 898978110 RMHPZWXQDJOQJK-OAHLLOKOSA-N 305.399 3.477 10 10 DGCE C=C/C(C)=C/CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 788655294 QGJQLDCKCXZYDL-OBHPCNEJSA-N 315.413 3.422 10 10 DGCE Cc1sccc1CC(=O)NCc1ccc2cccnc2c1O 1142728066 LWNVTTNITIGWJG-UHFFFAOYSA-N 312.394 3.169 10 10 DGCE O=C(NCc1cccc(Cl)c1O)NC[C@@H]1C[C@H]2C=C[C@H]1C2 1313407740 LVUGSZWSEGYFSK-GVXVVHGQSA-N 306.793 3.057 10 10 DGCE C[C@H](COCc1ccccc1)N[C@H](C)c1c(O)cccc1O 390550818 CCGPZEXYFMIREV-ZIAGYGMSSA-N 301.386 3.354 10 10 DGCE COc1ccc(CN[C@H](C)CN(C)C(=O)OC(C)(C)C)cc1C 701925667 WLPQNEJQCBTGHH-CQSZACIVSA-N 322.449 3.349 10 10 DGCE CCC[C@@H](CCO)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 1171528951 RLECKUQQNKFVGE-KRWDZBQOSA-N 314.429 3.375 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)c1ccccc1Br 691690673 WQRPTWSWQKODOL-VIFPVBQESA-N 309.167 3.364 10 10 DGCE COC(=O)CC1(NCc2ccc(N3CCCC3)cc2)CCCC1 1256331444 IIEOUMAYZFUWFF-UHFFFAOYSA-N 316.445 3.252 10 10 DGCE CCn1cc(OC(=O)Cc2cc(C)n(-c3ccccc3)c2C)cn1 1522498705 FZKKYDHKARXSQA-UHFFFAOYSA-N 323.396 3.459 10 10 DGCE CCC[C@@H]1CCCC[C@@H]1CNC(=O)Cc1ccc(O)c(O)c1 1451454821 GWIDSQFTTLDBKW-HUUCEWRRSA-N 305.418 3.363 10 10 DGCE C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 1532654731 BLSIFIOWPYRXQD-KQTLUZQSSA-N 314.429 3.160 10 10 DGCE CCN(CC)c1ccc(CNC(=O)C(=O)C(C)(C)CC)cc1 1543179749 UVFNCGPCJRUWQB-UHFFFAOYSA-N 304.434 3.154 10 10 DGCE COc1cccc(CNC(=O)c2c(C)cccc2Cl)c1O 1545682139 SKUAMIRQDCAFJF-UHFFFAOYSA-N 305.761 3.293 10 10 DGCE C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1cccs1 1625462166 WYRFYEATCPUEEB-SECBINFHSA-N 302.359 3.402 10 10 DGCE CC(C)Oc1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 1636075279 XYYWLGCRIAFIDI-UHFFFAOYSA-N 301.342 3.066 10 10 DGCE CON(C[C@@H]1CCC[C@H](C)C1)C(=O)/C=C/c1ccc(O)c(O)c1 1636923188 XJYIDZAVVBTVNY-LRGSNQRWSA-N 319.401 3.327 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(Cc2cnc(Br)s2)C1 1912201823 ZLVXEYAIFMPADE-ZETCQYMHSA-N 302.201 3.180 10 10 DGCE CCn1cc(Br)c(=N[C@@H](C)c2cc(C)ccc2O)[nH]1 2124741155 IAGYDSSQNWIAQX-JTQLQIEISA-N 324.222 3.275 10 10 DGCE CCN1C(=O)/C(=C/c2ccc3ccccc3n2)SC1=S 13214864 PEWPEMPLWULIEA-LCYFTJDESA-N 300.408 3.456 10 10 DGCE O=C(O)[C@@H](Nc1ccc(Br)cc1)c1ccccc1O 166123182 DREODLATCWHOLQ-ZDUSSCGKSA-N 322.158 3.393 10 10 DGCE CN(C)c1ccc(Cn2nccc2NC(=O)C[C@@H]2C=CCC2)cc1 154171533 GREPELPOQFZYES-OAHLLOKOSA-N 324.428 3.292 10 10 DGCE COc1ccc(-c2nc(=Nc3ccccc3O)cc(C)[nH]2)cc1 1859848417 ADCPRSLWNKZJLT-UHFFFAOYSA-N 307.353 3.332 10 10 DGCE CC(C)OCCCN=NNc1ccc(N2CCOCC2)cc1 1860494058 OMKIZMZGCCCVSZ-UHFFFAOYSA-N 306.410 3.117 10 10 DGCE O=c1oc2c(O)c(O)ccc2cc1-c1nc2ccccc2s1 3208108 LFJBGQYAGFAGNW-UHFFFAOYSA-N 311.318 3.481 10 10 DGCE Cc1nc(C)c([C@H](C)NCc2cccc(Br)c2O)[nH]1 1893354006 TUFUOEQQSQIYCP-QMMMGPOBSA-N 324.222 3.345 10 10 DGCE CCN[C@H](c1ccccc1O)C(C)(C)NC(=O)OC(C)(C)C 1928471805 XCOJVRUEXZQDHT-CQSZACIVSA-N 308.422 3.346 10 10 DGCE C[C@H](O)c1ccc(N2CC[C@](C)(F)C2)cc1Br 1946967453 HADQWXDNJYBBPD-ZANVPECISA-N 302.187 3.441 10 10 DGCE C[C@H]1N(Cc2c(O)cccc2Br)CCC1(F)F 2004631972 FEFZJOXLQBMFBN-MRVPVSSYSA-N 306.150 3.384 10 10 DGCE Cc1cccc(O)c1CNCC[C@@H](C)N(C)C(=O)OC(C)(C)C 1976876561 BKAQHNDFEHJZRG-CQSZACIVSA-N 322.449 3.436 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCN(CCN=[N+]=[N-])C1 1982242441 NOVDXTGGMSOVNF-KBPBESRZSA-N 323.441 3.408 10 10 DGCE CC(C)(C)OC(=O)NC[C@H]1CN(c2ccc(N)cc2)C(C)(C)C1 1988156921 BKZNNSCMLXAXHJ-ZDUSSCGKSA-N 319.449 3.398 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](COc3ccc(N)cc3)C[C@H]2C1 1992433993 CQZGJWPYOKYIMP-ZENOOKHLSA-N 318.417 3.151 10 10 DGCE C[C@H](NCc1cc(Br)ccc1O)c1cnsc1 1998192226 ZBBXEISXEJEYLS-QMMMGPOBSA-N 313.220 3.462 10 10 DGCE NCc1ccc(N2CCS[C@@H]3CC[C@H]32)cc1C(F)(F)F 2152201819 UKDBGHXNCPWUSL-CHWSQXEVSA-N 302.365 3.248 10 10 DGCE Oc1cccc2c1[C@@H](NCc1ccn(Cc3ccccc3)n1)CC2 296246126 BBFANFLLLDQIIZ-SFHVURJKSA-N 319.408 3.414 10 10 DGCE CCN[C@H](c1ccc(Br)cn1)c1ccccc1O 2029561030 XGEGCMUTQPCUFS-AWEZNQCLSA-N 307.191 3.249 10 10 DGCE C[C@H](N)c1ccc(N2C[C@H]3C[C@H]2CS3)c(Br)c1 321327548 SNHHHOOIJCLVGA-INTQDDNPSA-N 313.264 3.163 10 10 DGCE CCN1CCc2cc([C@H](NC)[C@@H]3CSCCS3)ccc21 2163073480 JPHWVXUYCUIHSS-HOTGVXAUSA-N 308.516 3.178 10 10 DGCE CN[C@H](c1ccc(N(C)C)cc1)[C@H](O)c1csc(Cl)c1 2163134253 WNFGLSVYRYJHTH-HUUCEWRRSA-N 310.850 3.462 10 10 DGCE CO[C@H](CN(C)c1cc(Cl)c(CN)cc1F)C1CCC1 2177382791 FNCMIMDLHFXNNP-OAHLLOKOSA-N 300.805 3.189 10 10 DGCE CC1(C)[C@@H](NCc2ccc3c(c2)CCO3)CCCC12OCCO2 2173009864 IDZWDNILTZBXDW-KRWDZBQOSA-N 317.429 3.033 10 10 DGCE CN(c1ccc(CN)cc1F)[C@@H]1CS[C@H](C(F)(F)F)C1 2189455056 SMOLOXPRUFZWKT-CABZTGNLSA-N 308.344 3.157 10 10 DGCE CN(CC1[C@@H]2CC[C@@H]12)c1ccc(CN)c(Br)c1F 2041988368 YHYKBBPEBZVQRW-NXEZZACHSA-N 313.214 3.139 10 10 DGCE CC[C@H](N[C@H]1CC[C@@H](O)C1)c1cc(Br)ccc1O 2057788489 AJPGDEMTDHVSPF-LOWVWBTDSA-N 314.223 3.109 10 10 DGCE C[C@@H](N)c1cc(F)c(N2CCC=C(Br)C2)c(F)c1 2074222455 YJDYJWAKJGZJIT-MRVPVSSYSA-N 317.177 3.473 10 10 DGCE C[C@@H](N)c1ccc(N(C)C[C@H](F)[C@@H]2CCOC2)c(Cl)c1 2238325160 YGJUVXKVHXTKFH-QKCSRTOESA-N 300.805 3.171 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)C=Cc2cccs2)c1 2304863200 NDLFVEXVCGNJMH-LLVKDONJSA-N 303.383 3.353 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc2scnc2c1 2307996530 NIPRWMLUROEYOP-UHFFFAOYSA-N 312.350 3.359 10 10 DGCE Oc1c(Br)cccc1CNC[C@@H]1C[C@@H]2C=C[C@H]1C2 2309754822 UPZKFBHGSZZIES-MDZLAQPJSA-N 308.219 3.457 10 10 DGCE COCCCCCN(C)c1ccc(CO)c(Br)c1 2319892905 ZZPAOGYSJVNQPR-UHFFFAOYSA-N 316.239 3.194 10 10 DGCE Cc1ccc(CN2CCC[C@@H](C)C2=O)c(O)c1Br 2327602124 FELXSHMDNLJTTF-SNVBAGLBSA-N 312.207 3.222 10 10 DGCE Cc1ccc(CN2Cc3cccnc3C2)c(O)c1Br 2352661377 DXOCRWLCFBHZIY-UHFFFAOYSA-N 319.202 3.374 10 10 DGCE C[C@@H](NC(=O)[C@@H](C)N(C)Cc1ccccc1O)c1ccccc1 109771816 VQEJIDZPNTYGKJ-HUUCEWRRSA-N 312.413 3.090 10 10 DGCE CC[C@H]1CCN(c2cc(Br)c(CN)cc2F)C1 310229816 PQWHNGACUCBHNC-VIFPVBQESA-N 301.203 3.283 10 10 DGCE CC[C@@H](NCCc1c(C)nn(C)c1C)c1ccc(N(C)C)cc1 124209407 MMXOOCDTBQXDNF-LJQANCHMSA-N 314.477 3.386 10 10 DGCE CCCOc1ccc(CNc2ccn([C@H](C)COC)n2)c(O)c1 189879876 ZFGUGKFPOQLVAT-CYBMUJFWSA-N 319.405 3.197 10 10 DGCE CCOc1ccc(O)c(CNCC[C@](C)(O)c2ccccc2)c1 189837826 FVASJESUQHCJLD-IBGZPJMESA-N 315.413 3.178 10 10 DGCE Cc1cccc(CN2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)c1O 180778455 ZJQSQWJGNPWLRA-WMLDXEAASA-N 319.351 3.287 10 10 DGCE Cc1ccccc1-n1c(-c2cc(O)c(O)c(O)c2)n[nH]c1=S 75331825 AXQGEWBJJCICKN-UHFFFAOYSA-N 315.354 3.022 10 10 DGCE COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C/c1cccc(Cl)c1 97455775 NIZGBTXKUCFKPG-NTEUORMPSA-N 319.788 3.421 10 10 DGCE COc1cccc(CN[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]32)c1O 527749603 NQVRZDBCXLJLNX-BHYGNILZSA-N 315.800 3.482 10 10 DGCE COCCN(Cc1cccnc1)Cc1cc(Cl)c(F)cc1O 293816308 FMDDQUWQPNZDGC-UHFFFAOYSA-N 324.783 3.228 10 10 DGCE C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@@](C)(C(F)F)O1 827962088 FSCPUMZUXPYIBU-BZNIZROVSA-N 316.367 3.136 10 10 DGCE Cc1cccc([C@@H](O)CNC/C=C/c2ccc(N(C)C)cc2)c1 835043880 UWAQANYVTNALOB-CYXJOQHWSA-N 310.441 3.397 10 10 DGCE CO[C@@H](CCNC/C=C/c1ccc(N(C)C)cc1)C(F)(F)F 835049432 DNGCKJOCCXAQRL-RGDDUWESSA-N 316.367 3.323 10 10 DGCE C[C@@H](NCc1cccc(Cl)c1O)[C@@](C)(O)c1ccccc1 846039447 SUFCXKTYRVIKFJ-SJKOYZFVSA-N 305.805 3.431 10 10 DGCE COc1ccc2ccc(O)c(CN3C[C@@H]4[C@@H](C3)C4(F)F)c2c1 844752234 GQAMIKLTVAHSQA-HUUCEWRRSA-N 305.324 3.251 10 10 DGCE CC[C@H](N[C@H]1C[C@@H]2OC(C)(C)O[C@@H]2C1)c1ccc(N(C)C)cc1 927058697 SXWOEGHGYCJYSI-LEUOFYLZSA-N 318.461 3.476 10 10 DGCE C[C@H]1C[C@@H](NCc2ccc(N3CCC(O)CC3)cc2)CCS1 922838898 OXWADVUMCINHRV-HOCLYGCPSA-N 320.502 3.021 10 10 DGCE CC1(C)CN(C(=O)c2cccc(O)c2O)CCc2ccccc21 855348247 IRWYXOCKBKOURZ-UHFFFAOYSA-N 311.381 3.074 10 10 DGCE CC(C)CC[C@@](C)(O)CN[C@H](C)c1cc([N+](=O)[O-])ccc1O 756604173 MEGVKTDWLNXGEI-MLGOLLRUSA-N 310.394 3.138 10 10 DGCE C[C@H](NC[C@@H]1COc2ccccc2O1)c1cc(F)cc(F)c1O 756352491 TYYXZCAGDJMADZ-CMPLNLGQSA-N 321.323 3.161 10 10 DGCE CC1(CNCc2ccc(N3CCOCC3)c(F)c2)C[C@@H]2C[C@H]2C1 858289947 CCXYTUBMRQIRMO-HOTGVXAUSA-N 318.436 3.188 10 10 DGCE CN(C)c1cc(F)c(CN2CCC[C@@]3(CCOC3)C2)cc1F 862387484 NMCZOIOWKDFPRG-QGZVFWFLSA-N 310.388 3.033 10 10 DGCE C[C@H](CC(=O)NCc1ccc2cccnc2c1O)C(F)(F)F 862025405 MTAHBKHXWVSMCP-SECBINFHSA-N 312.291 3.145 10 10 DGCE Cc1cc(Br)cc(CNCCOC(C)(C)C)c1O 776118236 BTARDPZZTCSVHZ-UHFFFAOYSA-N 316.239 3.368 10 10 DGCE CN[C@@H](c1ccc(Br)c(OC)c1)c1ccccc1O 1876914653 HFJRALUYOYWEHB-HNNXBMFYSA-N 322.202 3.472 10 10 DGCE COc1cc(C)cc(CN[C@H](C)c2ccc3c(c2)OCO3)c1O 894165125 IISQJVCVIHTTTO-GFCCVEGCSA-N 315.369 3.289 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CC[C@@H]2COC[C@@H]2C1 690798852 KQCRXBWVCODSCW-KOLCDFICSA-N 302.201 3.167 10 10 DGCE COc1ccc(CCNCc2cc(Cl)c(C)cc2O)cn1 1335329694 MTDOTNUIWRUSSF-UHFFFAOYSA-N 306.793 3.090 10 10 DGCE C[C@@H](NC(=O)NCc1c(F)cc(F)cc1F)c1ccccc1O 1255153068 AGXVIMNFZFHITI-SECBINFHSA-N 324.302 3.370 10 10 DGCE CCNCc1ccc(N(C)[C@@H](C)CF)c(Br)c1 2249287011 QOWVPKHZFNFAOH-JTQLQIEISA-N 303.219 3.353 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)c1ccc2c(c1)C[C@@H](C)O2 1360075682 OGDQXXJBLCJTDA-CQSZACIVSA-N 324.424 3.314 10 10 DGCE CCCN(CC1CC1)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] 1458284847 ZPPHPMJDJOWEBS-CLFYSBASSA-N 318.373 3.407 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2C[C@@H]2C2CCCC2)cc1 1520906661 TWCZHMAZKOFAJJ-DZGCQCFKSA-N 314.389 3.405 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cccc(CO)c1 1628954131 COPMZYXMEPUTTM-UHFFFAOYSA-N 324.424 3.051 10 10 DGCE Cc1cc(C(=O)N2Cc3cccc(O)c3C2)oc1Br 1558036232 XKNFEVLEGJDKAG-UHFFFAOYSA-N 322.158 3.212 10 10 DGCE O=C(NCc1c(O)cccc1F)NC[C@H]1CCC[C@H]1C1CC1 1564921807 MCLMPUHCDXXVMJ-OLZOCXBDSA-N 306.381 3.157 10 10 DGCE C[C@H](Oc1ccccc1)C(=O)NCc1ccc2cccnc2c1O 1638569828 NLIWUJNSNYBPLS-ZDUSSCGKSA-N 322.364 3.024 10 10 DGCE O=C(NCc1cccc(Cl)c1O)c1c(F)cccc1[N+](=O)[O-] 1640405117 MITXFDIPNAPEHI-UHFFFAOYSA-N 324.695 3.023 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)NCC(C)(C)[C@@H](C)O 1640042303 ZIEXNUQIYBALDM-CYBMUJFWSA-N 320.458 3.292 10 10 DGCE COc1ccc(/C(C)=C/C(=O)NCc2cc(C)ccc2O)cc1 1584983090 CEUNUBYUYCCQGK-SDNWHVSQSA-N 311.381 3.429 10 10 DGCE CCN(C)c1ccc(CN2CCC[C@H]2C(=O)NC(C)(C)C)cc1 1655658428 CNAZMVMSDPQFTN-KRWDZBQOSA-N 317.477 3.022 10 10 DGCE COc1cc(C)cc(CN2CC[C@H]3CC[C@@H](C2)N3C(C)C)c1O 164436648 IGHPIFYUNKWYQT-SJORKVTESA-N 318.461 3.156 10 10 DGCE Cc1ccsc1/C=C1/SC(N2C[C@@H](C)O[C@H](C)C2)=NC1=O 4351778 CXSCXXJSWFBCQD-RACMRDOMSA-N 322.455 3.136 10 10 DGCE Cc1ccc(O)c(CNCCC(=O)Nc2cc(F)ccc2F)c1 1857854095 OGTWUMNPQDTVBL-UHFFFAOYSA-N 320.339 3.097 10 10 DGCE CN(C)c1ccc(CNCCC(=O)NC2CCCCCC2)cc1 1857858996 RQBWCRCNBUHXJT-UHFFFAOYSA-N 317.477 3.071 10 10 DGCE CCN(Cc1cc(Cl)cc(Cl)c1O)[C@H]1CCCNC1 110935848 UIJFHALMSKLOCX-LBPRGKRZSA-N 303.233 3.273 10 10 DGCE CC(C)(C)OC(=O)N(CC[C@H](N)c1ccccc1O)CC1CC1 1936967847 KZWXWYMMBJRXTO-HNNXBMFYSA-N 320.433 3.429 10 10 DGCE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@H](N)c2ccccc2O)C1 1938979735 TXQPDOHKMXULDN-IVMMDQJWSA-N 320.433 3.428 10 10 DGCE Cc1cc(CO)ccc1N1CCCSC[C@@H]1C(F)(F)F 2143612941 CQSSNEJRBASQQJ-CYBMUJFWSA-N 305.365 3.362 10 10 DGCE C[C@H]1[C@H](NCc2c(O)cccc2F)CCN1Cc1ccccc1 1976877330 NERJTQWYXCAETI-KBXCAEBGSA-N 314.404 3.284 10 10 DGCE CC(C)(C)OC(=O)NCC[C@H]1CCCN(c2ccc(N)cc2)C1 1977966695 XGKRKEWPZGTZKS-CQSZACIVSA-N 319.449 3.400 10 10 DGCE Cc1ccc(CN[C@H]2C[C@H](C)N(Cc3ccccc3)C2)c(O)c1 1994456853 RLYSSTFXVOTFHF-LPHOPBHVSA-N 310.441 3.453 10 10 DGCE Cc1ccc(CN[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)c(O)c1 1994457082 VAQKFTKYAXOULM-GJZGRUSLSA-N 320.433 3.236 10 10 DGCE C[C@@H]1CN(Cc2ccccc2)CC[C@@]1(N)c1ccc(N(C)C)cc1 1999510966 ZKTRGQDFIUVIMG-UTKZUKDTSA-N 323.484 3.449 10 10 DGCE CC[C@@]1(C)CCN1c1ccc(CN)c(Br)c1F 2007186364 TVVRQTJUYYNKKQ-ZDUSSCGKSA-N 301.203 3.426 10 10 DGCE CN(C)c1ccc([C@@H](O)c2ncc(C(F)(F)F)s2)cc1 2156064833 DBMLGFUWZITNLL-LLVKDONJSA-N 302.321 3.310 10 10 DGCE CC1(C)CC[C@@H](CNCc2cc(Br)ccc2O)O1 189723785 YTSUXPNQYOBHRG-LBPRGKRZSA-N 314.223 3.202 10 10 DGCE C[C@@H](N)c1ccc(N(C)[C@@H]2CCCOC2)c(Br)c1 401503706 IZBJUXBSVKOUBM-ZYHUDNBSSA-N 313.239 3.084 10 10 DGCE CN(c1ccc(CN)c(Br)c1)C1CCSCC1 403632327 WIERYTNULUHMKL-UHFFFAOYSA-N 315.280 3.240 10 10 DGCE CCCN[C@H](C)c1cnc(Sc2n[nH]c(CCC)n2)s1 2159806861 CJNKSJBRHZJCRZ-SECBINFHSA-N 311.480 3.426 10 10 DGCE Cc1cc(CO)ccc1N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 705942216 RMXOMSCJUHOSCM-BGYRXZFFSA-N 322.452 3.056 10 10 DGCE CCN[C@@H](c1ccccc1O)c1sc(N(C)C)nc1Cl 2164113115 JETISYCUONHOKW-NSHDSACASA-N 311.838 3.267 10 10 DGCE CCc1cccc(CNC2[C@H]3CN(Cc4ccccc4)C[C@H]23)c1O 691479086 YXOSCHQTQNIOAO-OALUTQOASA-N 322.452 3.175 10 10 DGCE NCCN(Cc1cc(Cl)cc(Cl)c1O)CC(F)(F)F 713337656 DILZMWFHAHZLMO-UHFFFAOYSA-N 317.138 3.022 10 10 DGCE Nc1ccc(CCNCc2csc(Br)c2)cc1 397993565 RDYYQHGKAWBDMB-UHFFFAOYSA-N 311.248 3.425 10 10 DGCE CN(Cc1cc(Cl)cn1C)c1c(F)cc(CO)cc1F 2171127648 FECOSSHHWJSIEB-UHFFFAOYSA-N 300.736 3.085 10 10 DGCE Cc1ccc([C@@H](C)n2nc(C)c(C=O)c2Br)c(O)c1 2079110251 AQVPWNQEUGLZON-SNVBAGLBSA-N 323.190 3.390 10 10 DGCE Oc1cc(Br)ccc1CNC[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32 2070857846 JOWOUYLUFULMGG-JZEMPJKHSA-N 308.219 3.146 10 10 DGCE CN[C@@H](c1ccc(OC)c(Br)c1)c1ccccc1O 2090039020 CKMPISYJKUHLHZ-HNNXBMFYSA-N 322.202 3.472 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)c2cncc(Br)c2)CC1 2099335967 FTUZRLHYFHUVAZ-LLVKDONJSA-N 324.182 3.149 10 10 DGCE CC=C(CC)C(=O)N1CCCN(c2ccc(OC)cc2)CC1 2311349859 RVXSQVPBGOSNNZ-UHFFFAOYSA-N 302.418 3.090 10 10 DGCE Cc1ccc(CNCC[C@@H]2CCCO2)c(O)c1Br 2327622242 WAIOVDLWAXWAJZ-LBPRGKRZSA-N 314.223 3.122 10 10 DGCE CNCc1ccc(N(C)Cc2cnc(C)o2)cc1Br 2342832691 APNDNCDXLDLUHM-UHFFFAOYSA-N 324.222 3.101 10 10 DGCE CCC[C@@H]1CCOCC[C@]1(Sc1nccs1)C(=O)O 2351878340 OUWDXUKVFNRBOC-ZWNOBZJWSA-N 301.433 3.285 10 10 DGCE Cc1ccc(NC=C2C(=O)OC(C)(c3ccccc3)OC2=O)cc1 103780053 OFAOOYKQJNWUSK-UHFFFAOYSA-N 323.348 3.264 10 10 DGCE CN(CCc1ccccc1)C(=O)NCc1ccc(N(C)C)cc1 43862634 PAXWEPJWHUXCDF-UHFFFAOYSA-N 311.429 3.137 10 10 DGCE COc1ccc(CN[C@H]2CCOc3c(F)cccc32)c(O)c1 191122498 XHVWTTJRABIBBU-HNNXBMFYSA-N 303.333 3.153 10 10 DGCE CN(C)c1ccc(CN[C@H](c2ncc[nH]2)c2cccs2)cc1 194966644 NUYFGNZEKQDTEW-INIZCTEOSA-N 312.442 3.416 10 10 DGCE CC[C@@H](CNC(=O)OC(C)(C)C)NCc1ccc(OC)c(C)c1 227726849 QOGKRQQMMXSFEM-HNNXBMFYSA-N 322.449 3.397 10 10 DGCE C[C@@H]1CCCCN1c1ccc(CN)c(Br)c1F 231838669 PPRCGNVTNQFLED-SECBINFHSA-N 301.203 3.426 10 10 DGCE C[C@H](NCC1(C2CC2)CC1)c1ccc(N2CCC(O)CC2)cc1 90772675 ZAYBDUGPWMJXCC-HNNXBMFYSA-N 314.473 3.489 10 10 DGCE CN(C)c1ccc(CN2C[C@@H](CO)[C@@H](c3ccsc3)C2)cc1 250123712 VWQFOJBOABFWHY-FUHWJXTLSA-N 316.470 3.022 10 10 DGCE NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1O)N2 253572796 QPKZKAAFIFBJDI-VBHSOAQHSA-N 306.365 3.318 10 10 DGCE Cc1ccccc1[C@]1(F)CCN(C(=O)c2cccc(O)c2O)C1 374475877 NRIYBEQWORRBKY-SFHVURJKSA-N 315.344 3.117 10 10 DGCE O=C(NCCNCc1ccc2ccccc2c1O)c1ccccc1 816541028 AMRSCIQXJLDACQ-UHFFFAOYSA-N 320.392 3.065 10 10 DGCE C[C@H](N[C@H]1CNCC[C@H]1C)c1cc(Cl)c(Cl)cc1O 817969551 WXABKQFQVYRFHT-ZDMBXUJBSA-N 303.233 3.348 10 10 DGCE COc1ccc(N(CC(=O)NC2CCCCC2)C(C)C)cc1F 725815357 CZHOCAPTFNCCDK-UHFFFAOYSA-N 322.424 3.498 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)C1CC2(C1)CC2(F)F 827956402 OUPMQJQHYGEKOD-UHFFFAOYSA-N 308.372 3.113 10 10 DGCE CC[C@H]1[C@@H](CO)CCN1Cc1cc(OC)cc(C(C)(C)C)c1O 826043695 OQWIBBJQYDQVLY-DYVFJYSZSA-N 321.461 3.291 10 10 DGCE CC[C@H](NCc1nc(CN(C)C)cs1)c1ccc(F)cc1O 903221369 WAGBJOFBUVSSAC-AWEZNQCLSA-N 323.437 3.290 10 10 DGCE CC[C@@](C)(CC(=O)OC)NC/C=C/c1ccc(N(C)C)cc1 835048395 RAZCAMXUZCQWFJ-DVBCCOPCSA-N 304.434 3.087 10 10 DGCE Cc1ccc([C@H](C)NC[C@]2(CO)CCc3ccccc32)c(O)c1 846181515 ZQSDDEJNTJIBNP-YWZLYKJASA-N 311.425 3.228 10 10 DGCE CN1C[C@@H](CNCc2ccc3c(c2)CCO3)[C@H](c2ccccc2)C1 842763614 AFZCLPKXTNAONW-UXHICEINSA-N 322.452 3.057 10 10 DGCE C[C@@H](NC(=O)N[C@H](C)c1cscn1)c1ccc(N(C)C)cc1 852261391 RCFQHZKWAPMMLA-VXGBXAGGSA-N 318.446 3.331 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)NC[C@]23CCCC[C@H]2C3)c1 924360032 ZPGPTJHEQTYMAV-ZJNRKIDTSA-N 318.417 3.341 10 10 DGCE C[C@H](N[C@@H](C)c1ccns1)c1ccc(N2CCOCC2)cc1 858579942 ZNOFDEUGMHCBHJ-KBPBESRZSA-N 317.458 3.392 10 10 DGCE CN1CCN(c2ccc(CN[C@@H]3CCCC(F)(F)C3)cc2)CC1 771848935 VLTKWUXTDOTDPC-MRXNPFEDSA-N 323.431 3.106 10 10 DGCE Nc1ccc(NC(=O)c2cc(F)c(Br)cc2N)cc1 1876510490 CAKRJEJTTIASKD-UHFFFAOYSA-N 324.153 3.005 10 10 DGCE CC(C)(C)CC(=O)N1CCN(Cc2cccc(Cl)c2O)CC1 775648227 BAFSPEBANXCEHI-UHFFFAOYSA-N 324.852 3.126 10 10 DGCE C[C@@H](NC(=O)C[C@H]1CCC2(CCC2)O1)c1ccc(N(C)C)cc1 890030506 FPVREPFJURGDAH-RHSMWYFYSA-N 316.445 3.422 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1CCC2(CCC2)O1 895484918 CUBAKIZZXIXYQK-QGZVFWFLSA-N 316.445 3.203 10 10 DGCE CN(Cc1ccccc1O)C(=O)Cc1ccc(Cl)c(F)c1 790542972 NLPVWCYQEBLXEB-UHFFFAOYSA-N 307.752 3.386 10 10 DGCE C[C@H](CN(C)Cc1ccccc1)NCc1c(O)cccc1F 1958792404 CXAXXUXGPWEGAN-CQSZACIVSA-N 302.393 3.141 10 10 DGCE O=[N+]([O-])c1c(NCc2cccc(Cl)c2O)nc2sccn12 1307229669 LSJIHMGYGMGWLM-UHFFFAOYSA-N 324.749 3.275 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)/C(F)=C(\C)C2CC2)cc1 1164597937 WTWFPJRYCNRCFK-LGMDPLHJSA-N 320.408 3.243 10 10 DGCE COc1ccc([C@H](C)NCCN(C)Cc2ccccc2)c(O)c1 395738168 UHAWDDSFLCJATQ-HNNXBMFYSA-N 314.429 3.183 10 10 DGCE CC/C(C)=C/C(=O)N(CC)CCNCc1ccc(OC)c(C)c1 1320724696 NWRCTNMXSHIAQA-NTCAYCPXSA-N 318.461 3.298 10 10 DGCE CC(C)N(C[C@H](C)O)c1ccc([C@@H](C)N)cc1Br 691375366 OORNURSIWWIURR-WDEREUQCSA-N 315.255 3.064 10 10 DGCE CN(C)c1ccc(CNC(=O)C[C@H]2CCC(C)(C)CO2)cc1F 1535620125 VZUPOUKARXNOQL-CQSZACIVSA-N 322.424 3.103 10 10 DGCE COc1cccc(C(=O)NCc2cccc(Cl)c2O)c1C 1647830256 PGXNJCQPJRPOIM-UHFFFAOYSA-N 305.761 3.293 10 10 DGCE CCOc1ccc(C(=O)NCc2cccc(Cl)c2O)cc1 1640401756 DVTSKCIEJIRNLP-UHFFFAOYSA-N 305.761 3.374 10 10 DGCE O=C(NCc1cc(O)ccc1O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 1651225584 PPVQQKKVALEJQA-MGPQQGTHSA-N 303.402 3.321 10 10 DGCE CC[C@H]1CCN(Cc2ccc(Br)cc2O)CCO1 1913669077 NCTUAOSNYMQTAZ-ZDUSSCGKSA-N 314.223 3.156 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNCC[C@@H]1CCC[C@@H]1O 1913730500 BPZFUEJJNKOWMJ-ZANVPECISA-N 304.217 3.340 10 10 DGCE CCOCCCCN[C@H](C)c1ccc(N2CCC(O)CC2)cc1 165077264 APVNSOOKEZGVMC-MRXNPFEDSA-N 320.477 3.115 10 10 DGCE CCCN1N=C(CC)/C(=C\c2ccc(OC)c(OC)c2)C1=O 1865677504 MRUOTYXIMKYUJJ-JLHYYAGUSA-N 302.374 3.105 10 10 DGCE C[C@@H](CNC(=O)OC(C)(C)C)NCc1ccc2c(c1)CCCO2 1662203479 BHPCHRUDFWQNJI-ZDUSSCGKSA-N 320.433 3.014 10 10 DGCE Oc1ccc(Br)cc1CNOCc1ccccc1 236616463 CNCRVHHJAWHREI-UHFFFAOYSA-N 308.175 3.376 10 10 DGCE Oc1ccc(Br)cc1CN[C@@H]1C[C@]12CC2(F)F 2004618281 FLKCNBXMTRQVDQ-MNOVXSKESA-N 304.134 3.042 10 10 DGCE CC[C@H](O)CN(Cc1ccccc1)c1ccc2c(c1)CC[C@@H]2N 1986609285 KGXMWPQIUCCKOY-ICSRJNTNSA-N 310.441 3.410 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H](Oc2ccc(N)cc2)CC2(CC2)C1 1992521090 XFSBZRJKLMEFJY-OAHLLOKOSA-N 318.417 3.437 10 10 DGCE CS[C@H]1C[C@H](CNCc2ccc(Br)cc2O)C1 2016147196 GGWQMDJGZMBGQW-OTCDBFHCSA-N 316.264 3.386 10 10 DGCE CCN(CCCCO)c1ccc([C@@H](C)O)c(Br)c1 2041181162 SEDUYJQXWNSAJX-LLVKDONJSA-N 316.239 3.101 10 10 DGCE Oc1cc(Br)ccc1CNCC[C@@H]1CC1(F)F 701937027 VRORBWKOBGQBCA-SECBINFHSA-N 306.150 3.290 10 10 DGCE Cc1ccc(CNC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(O)c1 877314087 QMZPPKFUJSTDEX-CQSZACIVSA-N 320.433 3.047 10 10 DGCE CCOC(=O)c1cc(C2CCC2)nn1Cc1cc(C)ccc1O 2069941752 BSDYSDLQCWMENV-UHFFFAOYSA-N 314.385 3.390 10 10 DGCE CCc1nn([C@@H](CC)c2ccc(OC)cc2O)c(Cl)c1CN 2079986186 NKDIOPTYCJKWJF-AWEZNQCLSA-N 323.824 3.271 10 10 DGCE CN(Cc1ccccc1O)c1ccc(Cl)cc1C(N)=S 2192568942 ZUYOCLMPOGURIK-UHFFFAOYSA-N 306.818 3.316 10 10 DGCE Nc1ccc(CNCCC(C(F)(F)F)C(F)(F)F)cc1 2183905890 RRHRQUKKEHOWSD-UHFFFAOYSA-N 300.246 3.489 10 10 DGCE C[C@@H]1[C@H](CN(C)c2ccc(CN)c(Br)c2F)[C@@H]1C 2043305063 OPUDTOAHDYSXPC-DOFRTFSJSA-N 315.230 3.385 10 10 DGCE CO[C@@H]1CC[C@H](CNCc2ccc(Br)cc2O)C1 2054472220 UIEFQLIJHYXJBN-GXFFZTMASA-N 314.223 3.059 10 10 DGCE CCNCc1ccc(N(C)C[C@@H]2C[C@H]2F)cc1Br 2068047309 CLGRJDQQNGLQBB-SMDDNHRTSA-N 315.230 3.353 10 10 DGCE Nc1ccc(COc2cc(Br)cc(F)c2N)cc1 2217927062 BPPBJYDVUHBVTK-UHFFFAOYSA-N 311.154 3.332 10 10 DGCE COc1cc([C@@H](C)NCc2cnc(SC)s2)sn1 2208803733 BHUJPOARDSMTPX-SSDOTTSWSA-N 301.462 3.181 10 10 DGCE Oc1ccc(Cl)cc1CNC[C@H]1OCC[C@H]1C(F)(F)F 2240534220 JOXICQXZDJBGFC-ZYHUDNBSSA-N 309.715 3.103 10 10 DGCE CCN(CC)c1ccc(C=Cc2nc3cnccc3c(=O)[nH]2)cc1 2302311052 CRPPBXMNEARLOO-UHFFFAOYSA-N 320.396 3.335 10 10 DGCE CCC(C)(C)CNC(=O)C=Cc1ccc(N2CCOCC2)cc1 2311900129 JBBXOFBSURRNGD-UHFFFAOYSA-N 316.445 3.089 10 10 DGCE Cc1ccc(CN2CCCSCC2)c(O)c1Br 2307472253 VUGOZYIXJUADTH-UHFFFAOYSA-N 316.264 3.402 10 10 DGCE CN(c1ccc(CO)cc1Br)[C@@H]1C[C@@H]2C[C@H]1[C@@H]1C[C@@H]21 2330303747 AOAIPPMITXBXIY-CQUYNDQOSA-N 322.246 3.422 10 10 DGCE Cc1ccccc1N1C(=O)CN(Cc2sccc2C)C1=S 216354 XYZXOGGJEAHKCA-UHFFFAOYSA-N 316.451 3.499 10 10 DGCE COc1ccc(N(C)CC(=O)Nc2cc(F)cc(F)c2)cc1F 177067167 ZFTZMTVRYMLRDM-UHFFFAOYSA-N 324.302 3.187 10 10 DGCE Nc1ccc(NC(=O)CCOc2ccc(F)c(Cl)c2)cc1 111764154 ILRDPKKOJGTODK-UHFFFAOYSA-N 308.740 3.469 10 10 DGCE C[C@H](N)c1ccc(N2CCN(C3CCCC3)CC2)c(Cl)c1 61698185 AZYLDBJACDPLHY-ZDUSSCGKSA-N 307.869 3.424 10 10 DGCE Cc1ccc(O)c(CNCCc2nc3c(F)cccc3n2C)c1 113358826 SQZMKTXLGFCFJU-UHFFFAOYSA-N 313.376 3.059 10 10 DGCE CCN(C(=O)CN(C)Cc1ccccc1O)c1ccccc1C 171926327 AOOITROZVHSHMO-UHFFFAOYSA-N 312.413 3.186 10 10 DGCE CCOc1cccc(CNC[C@H]2CCO[C@@H]2C(C)(C)C)c1O 189238126 JVVOKROEBPJBEU-PBHICJAKSA-N 307.434 3.332 10 10 DGCE CC(C)N(Cc1ccccc1)[C@@H](CN)c1ccc(O)cc1O 32066767 MAIXGKWPGJJYBM-KRWDZBQOSA-N 300.402 3.008 10 10 DGCE Cc1c(/C=C/C(=O)N2C[C@H](C)Sc3ccccc32)cnn1C 132493723 VCOYGDFBOKIPOC-BCPZQOPPSA-N 313.426 3.269 10 10 DGCE COc1ccccc1S[C@@H](C)C(=O)Nc1ccc(N)cc1 41030499 WBQOJPCKKCUTSN-NSHDSACASA-N 302.399 3.397 10 10 DGCE CCCCNC(=O)c1ccccc1C(=O)C(=N)c1ccccc1 196682239 YZYQSRNJLSEYJF-UHFFFAOYSA-N 308.381 3.467 10 10 DGCE CC[C@H]1CN(c2ccc(OC)c(Br)c2)CCCN1 88331083 KSVJXQCSUOKSNR-NSHDSACASA-N 313.239 3.036 10 10 DGCE CN(Cc1ccccc1O)C(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@@H]12 247653338 WRRHTINZKVBPJV-YQVWRLOYSA-N 322.408 3.120 10 10 DGCE C[C@H](NC(=O)[C@H](C)Cc1ccc(O)c(O)c1)[C@H]1C[C@H]2CC[C@H]1C2 243388250 MKRRZTNMLXVBLL-ZLTXHLNPSA-N 317.429 3.217 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)Nc1ccc(C(F)(F)F)cc1 244054072 TUVNJTZMCLPQQJ-UHFFFAOYSA-N 311.259 3.298 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N2CCOCC[C@H]2C)cc1 367647302 YBYSSCDHZDTBIL-CQSZACIVSA-N 312.413 3.345 10 10 DGCE COc1ccc(N(Cc2ncnn2CCF)[C@H](C)C2CC2)cc1 281728848 WAKYDMHJOOJSQN-CYBMUJFWSA-N 318.396 3.061 10 10 DGCE CC[C@H](N[C@H](CC)[C@@H](O)C(F)F)c1cccc(Cl)c1O 296607209 WAPDYUVPKLFGRG-DMDPSCGWSA-N 307.768 3.491 10 10 DGCE Cc1cc(C(=O)NCc2cc(Br)ccc2O)c(C)o1 804736525 WZLJJKAINBTGJS-UHFFFAOYSA-N 324.174 3.295 10 10 DGCE CN(C)c1ccc(/C=C\CN2C[C@]3(CCCO3)[C@@H]2C2CC2)cc1 835055875 OQPWUWCUJFEKFV-BGGWRVQESA-N 312.457 3.409 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCC[C@H]([C@H]3CCNC3)C2)cc1 843125223 OKYAZNJCUAGJPP-LWHVHZMOSA-N 313.489 3.087 10 10 DGCE CN1CCCc2cc(CNCc3ccnn3C3CCC3)ccc21 921626209 ZSQRUCYWPVDYGT-UHFFFAOYSA-N 310.445 3.280 10 10 DGCE C[C@@]1(CNCc2ccc(N3CCOCC3)c(F)c2)C[C@@H]2C[C@@H]2C1 858289949 CCXYTUBMRQIRMO-MNZLEMJZSA-N 318.436 3.188 10 10 DGCE C[C@H](NCCC[C@H]1CCCC[C@@H]1O)c1cc([N+](=O)[O-])ccc1O 756758444 GUAYQSMRKKOWCB-ZENOOKHLSA-N 322.405 3.282 10 10 DGCE CCOCc1cc(CNC2(CCO)CCCCC2)ccc1OC 751153872 USISZMYQAFZYCD-UHFFFAOYSA-N 321.461 3.407 10 10 DGCE CN(C)c1ccc(/C=C/CNC[C@H]2CCCN2CC(F)F)cc1 858231744 PJQXBXKGUXNOFT-NJELEJDNSA-N 323.431 3.085 10 10 DGCE CCOc1ccc(CN[C@@]2(CO)CCCC(C)(C)C2)c(O)c1 858252240 ZLCNBNKKOTWZFF-SFHVURJKSA-N 307.434 3.212 10 10 DGCE C[C@H](NCC[C@H](C)[S@](C)=O)c1cc2c(cc1O)CCCC2 756763191 VHLFSKYDFBAORW-BYVOGVQKSA-N 309.475 3.079 10 10 DGCE C[C@H](NCC[C@H](O)C(F)F)c1cccc(C(F)(F)F)c1O 866442260 HYGCRZWVGNZEBW-XVKPBYJWSA-N 313.266 3.078 10 10 DGCE C[C@@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)C[C@H]1F 779148661 IGQAXMKOBQIAML-LDYMZIIASA-N 302.733 3.134 10 10 DGCE Cc1ccnc(N)c1CN(Cc1ccc(N(C)C)cc1)C1CC1 893928721 FNJLJJHJMAMGQN-UHFFFAOYSA-N 310.445 3.203 10 10 DGCE O=C(N[C@@H](c1cc(F)ccc1F)C(F)F)c1cc(O)cs1 791018015 PPBHTDIAQMHDRA-NSHDSACASA-N 319.279 3.468 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1Nc1c(N)cccc1Cl 1885271038 JDEBKOTYWFBHLE-JOYOIKCWSA-N 311.813 3.247 10 10 DGCE C[C@@H](C(=O)NCc1ccc(O)cc1O)c1cc2ccccc2o1 1162277936 DRGONBYNQYGYQQ-LLVKDONJSA-N 311.337 3.264 10 10 DGCE Cc1ccc(O)c([C@@H]2C[C@@H](c3ccccc3)n3ncnc3N2)c1 407856 JKWNOKNDLXZEDR-HOTGVXAUSA-N 306.369 3.438 10 10 DGCE CC(C)Cc1ccc(C(=O)NCc2cccc(O)c2O)s1 1350315004 IZYRKVKDUKYPAL-UHFFFAOYSA-N 305.399 3.288 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CO[C@@H](C3CC3)C2)cc1 1287542655 OTPJOLFWBCELFF-IEBWSBKVSA-N 324.424 3.391 10 10 DGCE CC[C@H](C)C(=O)NCC1(NCc2ccc(OC)c(C)c2)CCC1 1280469368 ZMHKUFLPTZJGSE-AWEZNQCLSA-N 318.461 3.178 10 10 DGCE Cc1ccc(C(=O)N2CCC[C@@H](C3CCC3)CC2)c(O)c1O 1455084279 FMCVPXSPDZSFID-CQSZACIVSA-N 303.402 3.449 10 10 DGCE Cc1ccc(N(C)C(=O)c2cn(C)nc2-c2cccnc2)c(F)c1 1528975209 YNUKTWJZQVWQIZ-UHFFFAOYSA-N 324.359 3.206 10 10 DGCE CN(C)c1ccc(CN(C[C@H]2CCCC[C@@H]2O)C2CC2)cc1 1459354816 WXTJOFFMVFBWLA-APWZRJJASA-N 302.462 3.268 10 10 DGCE CN(C(=O)c1ccnc2c1CC(=O)N2)c1ccc2ccccc2c1 1290537358 WFTHHBZANINICM-UHFFFAOYSA-N 317.348 3.006 10 10 DGCE Cc1ccccc1C(F)(F)CNC(=O)NCc1ccccc1O 1479040400 BEWCUQRYWORVPY-UHFFFAOYSA-N 320.339 3.292 10 10 DGCE CCC(C)(C)C(=O)NC[C@H](C)CNCc1ccc(OC)c(C)c1 1482135044 DHAJFGMUOUEEEQ-CQSZACIVSA-N 320.477 3.282 10 10 DGCE C/C=C(/C)C(=O)NC[C@H](NCc1ccc(OC)c(C)c1)C(C)C 1715540076 TXTCYDGLUOVDGD-ROOCWEIGSA-N 318.461 3.200 10 10 DGCE CCN(C)c1ccc(CN[C@H](CO)c2cc(F)ccc2F)cc1 1620669713 YEFBBBRANCXOHB-GOSISDBHSA-N 320.383 3.244 10 10 DGCE O=C(NCc1c(O)cccc1F)c1cnc2ccc(F)cc2c1 1645048324 QDNZKACIUTXMBA-UHFFFAOYSA-N 314.291 3.149 10 10 DGCE O=C(O)C=Cc1ccc(N2C[C@@H]3CC[C@H]3C2)c(Br)c1 1912132985 VVVMPSGBELJAIZ-RYUDHWBXSA-N 322.202 3.393 10 10 DGCE CCn1cc(Br)cc1C(=O)N(C)CCCN=[N+]=[N-] 1912204523 KEHZCXCKLIMXQE-UHFFFAOYSA-N 314.187 3.043 10 10 DGCE CC(C)(C)c1cnc(Sc2nc(N)nc(Cl)c2N)s1 1642412045 JFLOYPIMXYYHPX-UHFFFAOYSA-N 315.855 3.200 10 10 DGCE CCOC(=O)[C@@H]1C[C@H]1CN(Cc1ccccc1O)C1CCCC1 1657277229 TXJJUFIJPDTSQZ-DOTOQJQBSA-N 317.429 3.336 10 10 DGCE C[C@H]1SCCS[C@H]1c1noc(COc2ccc(N)cc2)n1 161946939 NBUBEGSMERRRKJ-NOZJJQNGSA-N 323.443 3.140 10 10 DGCE CN(CC1CCOCC1)c1ccc(CN)cc1C(F)(F)F 163719082 HUIXSWAUROSSDZ-UHFFFAOYSA-N 302.340 3.027 10 10 DGCE COc1cc(C)cc(CN(C)CCOCc2ccccc2)c1O 164484017 XUEIPJFDNAEPRR-UHFFFAOYSA-N 315.413 3.358 10 10 DGCE CCCN1C(=O)/C(=C\c2c(C)nc3ccccn23)SC1=S 1858588391 COTHQCVSCBOIKM-FMIVXFBMSA-N 317.439 3.254 10 10 DGCE CCCOC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 586478515 OPPDJEGWNBBYBK-UHFFFAOYSA-N 309.321 3.421 10 10 DGCE COc1cc(Cl)cc(CNC[C@H](C)OC(C)(C)C)c1O 1967914614 ITCKNUIGPDFYLI-JTQLQIEISA-N 301.814 3.347 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CC[C@@H]2CCNC[C@H]2C1 1967988762 UBGBRLQADBXENV-JQWIXIFHSA-N 315.244 3.130 10 10 DGCE CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@](C)(N)c1ccccc1O 1933869027 IHJJTCSZHHSKGX-YOEHRIQHSA-N 308.422 3.115 10 10 DGCE CCN[C@@H](c1ccccc1O)[C@H]1CCCN1C(=O)OC(C)(C)C 1936986773 LUNWUPNPGLXONV-ZBFHGGJFSA-N 320.433 3.442 10 10 DGCE C[C@@H](NCc1ccc(Br)cc1O)[C@@H]1CC1(F)F 1942441688 QMEIGTCDQHUOIP-XCBNKYQSSA-N 306.150 3.288 10 10 DGCE C[C@@H](CO)N(Cc1ccccc1)c1c(F)cc([C@@H](C)N)cc1F 1990440673 TUMLQWDAMOOCBC-QWHCGFSZSA-N 320.383 3.372 10 10 DGCE C[C@@H](N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1)C(C)(C)O 1991655601 XZAAHEUMWQRJPH-CYBMUJFWSA-N 322.449 3.307 10 10 DGCE CNCc1ccc(N(C)[C@H]2CCSC2)cc1C(F)(F)F 167355605 BCEWHDWDOPETNA-LBPRGKRZSA-N 304.381 3.367 10 10 DGCE C[C@@H](F)[C@@H]1CCCN1Cc1c(O)cccc1Br 2010588498 AHZCNNNXRWCUSY-SKDRFNHKSA-N 302.187 3.477 10 10 DGCE CC[C@H](CCNCc1c(O)cccc1Br)COC 2034914609 AVJPYRKUORWPBT-LLVKDONJSA-N 316.239 3.307 10 10 DGCE CN(C)c1ccc(-c2nc3c(Br)cncc3[nH]2)cc1 311458479 VBEZFQHGUYOUIR-UHFFFAOYSA-N 317.190 3.453 10 10 DGCE NCc1cc(F)c(N2CC[C@H]3CCC[C@H]32)cc1Br 378708130 REKUVNOZYASYCT-NOZJJQNGSA-N 313.214 3.426 10 10 DGCE Cc1nc(SCCCc2ccc(N)cc2)sc1C(=O)O 2179569167 JJUAFNGEJPEKHQ-UHFFFAOYSA-N 308.428 3.457 10 10 DGCE N#Cc1ccc(NCc2ccc(O)c(O)c2)cc1Br 382191595 NTGYGJHMFXQFHM-UHFFFAOYSA-N 319.158 3.344 10 10 DGCE CO[C@H]1CC[C@H]1N(C)c1ccc([C@H](C)N)c(Br)c1 724225516 XJQMFHPBDKPRKK-FZZIBODNSA-N 313.239 3.082 10 10 DGCE CN[C@@H](C)c1ccc(N(C)[C@H]2COCC2(F)F)c(Cl)c1 2197010162 FTGIXESBTDXUBK-ZANVPECISA-N 304.768 3.091 10 10 DGCE CO[C@H]1CC[C@@H]1CCNCc1c(O)cccc1Br 2066816925 NMRMCAVFXXWBTH-YGRLFVJLSA-N 314.223 3.059 10 10 DGCE CN(c1ccc(CO)cc1Br)[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32 2070854557 JNCWCQKWPOMOSL-OJBMOBIPSA-N 308.219 3.032 10 10 DGCE CN(C)c1ccc([C@@H](O)c2cc(Br)ccc2N)cc1 2106790172 FUTBTDHYRCRLES-OAHLLOKOSA-N 321.218 3.179 10 10 DGCE OCCc1ccccc1NCc1c(O)cccc1Br 2100015124 FCGCFBDVQQCVMU-UHFFFAOYSA-N 322.202 3.302 10 10 DGCE Nc1cccc(Br)c1N[C@@H](C(F)F)[C@H]1CCOC1 2223187712 BJZCHIDOMHBIPK-OIBJUYFYSA-N 321.165 3.113 10 10 DGCE CC=CC[C@H](CO)N[C@@H](C)c1cc(Br)ccc1O 2309492407 ZUMHXGQEXISFSZ-CMPLNLGQSA-N 314.223 3.132 10 10 DGCE CC[C@@H]([C@H](C)N)N(C)Cc1ccc(C)c(Br)c1O 2327610437 UXWNTCBXQFKACF-JQWIXIFHSA-N 315.255 3.021 10 10 DGCE Cc1ccc(CN[C@H](C)CC(C)(C)O)c(O)c1Br 2327613263 TWKKWYXYSXHVIP-SNVBAGLBSA-N 316.239 3.102 10 10 DGCE Nc1cc(Cl)c(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c(Cl)c1 2353870344 ZSVITGGMBKQWED-RKDXNWHRSA-N 313.184 3.255 10 10 DGCE Cc1ccc(O)c([C@H]2C[C@H](c3ccccc3)n3ncnc3N2)c1 407857 JKWNOKNDLXZEDR-HZPDHXFCSA-N 306.369 3.438 10 10 DGCE CCOC(=O)[C@@H]1CCCN(C/C=C\c2ccc(N(C)C)cc2)C1 5081361 HFGHBSYUGAGDJJ-XTKXOIQPSA-N 316.445 3.041 10 10 DGCE COCCN1C(=O)/C(=C\c2ccc([C@@H]3C[C@@H]3C)o2)SC1=S 12782318 GWUFRYMJIBXDTF-VTQONVPZSA-N 323.439 3.251 10 10 DGCE CCCn1cc(Br)cc1C(=O)NCCCN=[N+]=[N-] 42013140 DJGWOVHQTXCTPN-UHFFFAOYSA-N 314.187 3.091 10 10 DGCE O=C(O)Cc1ccc(/N=N\c2c(C(=O)O)nc3ccccn23)cc1 71581095 MMUYMMSFJXJHNA-HNENSFHCSA-N 324.296 3.075 10 10 DGCE CC[C@H](C)N(C)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 102577313 DIMKCXGNXYRWBR-AWEZNQCLSA-N 319.449 3.104 10 10 DGCE Cc1ccc(C(=O)NCc2ccc(N)cc2)cc1Br 129360242 WJGOGRVLAVDYOQ-UHFFFAOYSA-N 319.202 3.270 10 10 DGCE CCCCCN(C(=O)CN(C)Cc1ccccc1O)C(C)C 171937143 TWOGEDWWFFHSDW-UHFFFAOYSA-N 306.450 3.251 10 10 DGCE C[C@@H](N[C@H](Cc1ccccc1)CN(C)C)c1cc(F)ccc1O 185091931 PXQJSGZRIIMUSS-RHSMWYFYSA-N 316.420 3.355 10 10 DGCE Cc1ccc(O)c([C@@H](C)N[C@H]2CCc3nnc(C(C)C)n3C2)c1 186293263 IKJLFOCEMRCMGM-KGLIPLIRSA-N 314.433 3.081 10 10 DGCE COCCN(Cc1cc(Br)ccc1O)C(C)C 211645553 YMEWACLVKYRGFG-UHFFFAOYSA-N 302.212 3.012 10 10 DGCE CN[C@@H](C)c1ccc(N(C)[C@@H](C)COC)c(Br)c1 227020670 KMUIYKTYWITNBH-QWRGUYRKSA-N 315.255 3.201 10 10 DGCE CCCN1CCC2=NN[C@@H](c3ccc(N(CC)CC)cc3)[C@H]2C1 242823358 FMDAZSHZCOYBLI-HKUYNNGSSA-N 314.477 3.265 10 10 DGCE CC(C)(C)OC(=O)N1CCC(C)(Oc2ccc(N)cc2)CC1 260107856 OWUFOWLGYCTUOF-UHFFFAOYSA-N 306.406 3.437 10 10 DGCE O=[N+]([O-])c1ccc(I)c2scc(O)c12 307096996 FFIHIIUVOBJWKV-UHFFFAOYSA-N 321.095 3.120 10 10 DGCE Cc1ccc(O)c(CN[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 382476850 JLECBFQNDYDIDW-CABCVRRESA-N 320.433 3.236 10 10 DGCE COc1ccc2c(c1)N[C@@](C)(C(C)C)CN2C[C@H](C)C(N)=S 606610983 YDPMYYQNTWGHEM-YVEFUNNKSA-N 321.490 3.264 10 10 DGCE CCc1cccc(CNCCN(CC)C(=O)OC(C)(C)C)c1O 691512451 MMGYJEBLDCLISW-UHFFFAOYSA-N 322.449 3.301 10 10 DGCE C[C@H](c1c(O)cccc1O)N(CCC(=O)O)Cc1ccccc1 692428762 PMSJSSLXDJMYRP-CYBMUJFWSA-N 315.369 3.136 10 10 DGCE Cn1cc(-c2cnc(O)c3c2ccn3Cc2ccccc2)cn1 694833093 KEZHPFXNPSNUIQ-UHFFFAOYSA-N 304.353 3.191 10 10 DGCE CCNCc1ccc(N2CC[C@@H]3C[C@H]3C2)c(Br)c1 699277279 SOHIFARGVHNNFB-OLZOCXBDSA-N 309.251 3.405 10 10 DGCE Brc1cc(N2CC=CCC2)ccc1CNC1CC1 723161770 GHCNXJPEUQQGFT-UHFFFAOYSA-N 307.235 3.467 10 10 DGCE Fc1cc(-c2nc(C[C@H]3CCCO3)no2)ccc1-n1cccc1 731796069 PVYZRAQXXMVVJQ-CYBMUJFWSA-N 313.332 3.388 10 10 DGCE CCC(C)(C)NC(=O)CN(Cc1ccccc1O)C1CCCC1 731845884 LKTRFPAKLQGOHN-UHFFFAOYSA-N 318.461 3.442 10 10 DGCE COc1cc(C)cc(CN2CCO[C@@H](C3CCCCC3)C2)c1O 758288844 GDESETPCOCBVFN-GOSISDBHSA-N 319.445 3.490 10 10 DGCE Cc1ccc(/C=C\C(=O)N2CCN(C3CC3)c3ccccc32)cn1 778259098 ZWTHJXJWZXXJHL-FLIBITNWSA-N 319.408 3.419 10 10 DGCE CO[C@@H](CCNCc1cc(Cl)cc(C)c1O)C(F)(F)F 787417750 POPNQHMIHCDBOI-NSHDSACASA-N 311.731 3.411 10 10 DGCE COc1cc(NCc2cc3c(cc2O)OCO3)cc2cccnc12 813784519 GZOJERMFWDERFW-UHFFFAOYSA-N 324.336 3.290 10 10 DGCE C[C@H](N[C@@H]1CC12CCNCC2)c1cc(Cl)c(Cl)cc1O 817976167 HODSDBSNEWQVHC-LKFCYVNXSA-N 315.244 3.492 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1CC[C@@H]1C 840372445 DOHWWRUTSODRJI-JDFRZJQESA-N 303.450 3.090 10 10 DGCE CN(C)c1ccc(/C=C\CNc2ccc3c(c2)CNCCO3)cc1 841081924 HWMHXNWBPYVBKB-ARJAWSKDSA-N 323.440 3.360 10 10 DGCE COc1ncncc1CN(Cc1ccccc1O)C1CCCC1 843396380 BSSNPLMRICHFRG-UHFFFAOYSA-N 313.401 3.136 10 10 DGCE Oc1c(F)cc(Cl)cc1CN[C@H]1CNc2ccccc2C1 844909013 ZLOOPHQVZJBERO-CYBMUJFWSA-N 306.768 3.311 10 10 DGCE CCN(C)c1ccc(CN2[C@@H](C)CC[C@@H](C(=O)O)[C@H]2C)cc1 851708943 OREDHMOYMSJQCG-JJRVBVJISA-N 304.434 3.216 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)NCCC(C)(C)C)C2)cc1 851957959 VDQQTPJWOVBMMP-AWEZNQCLSA-N 319.449 3.009 10 10 DGCE CC[C@@H](C)CCC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855223263 FBFUQCMCLLAIAX-HUUCEWRRSA-N 304.434 3.216 10 10 DGCE C[C@H](Cc1ccccc1Cl)NC(=O)Cc1ccc(O)c(O)c1 1141749973 BHDXXDRMXPTLTP-LLVKDONJSA-N 319.788 3.041 10 10 DGCE C[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)c1cccnc1 1290219800 PJNKJKOKAASWDN-SECBINFHSA-N 314.366 3.199 10 10 DGCE O=C(NCc1c(O)cccc1F)c1cnn(C2CCCCC2)c1 1332466501 YYWSRTLXTLFFNO-UHFFFAOYSA-N 317.364 3.163 10 10 DGCE CC[C@@H]1CCN(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)C1 1564945759 UGHWNTWBBBTEBX-HZPDHXFCSA-N 317.477 3.434 10 10 DGCE CC(=O)c1ccccc1C(=O)NCc1ccc2cccnc2c1O 1570531829 QEUROKYKAXDZBH-UHFFFAOYSA-N 320.348 3.073 10 10 DGCE O=C(NCc1ccsc1C(F)(F)F)c1cccc(O)c1O 1586761518 ILDLJIQYLLZSML-UHFFFAOYSA-N 317.288 3.108 10 10 DGCE Cc1cc(CC(=O)N2CC[C@H](CF)C2)c(C)n1-c1ccccc1 1596419808 STJBHHOLZYSWJM-MRXNPFEDSA-N 314.404 3.455 10 10 DGCE C/C(=C/c1cccnc1)C(=O)NCc1cc(Cl)ccc1O 1639965647 NRVWSJGCTPNNSZ-XFFZJAGNSA-N 302.761 3.160 10 10 DGCE C[C@@H]1CCN(c2ccc(N)cc2)[C@H](CNC(=O)OC(C)(C)C)C1 1894531455 VSXPFTBNLNJCRI-CJNGLKHVSA-N 319.449 3.398 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H]2CCN(CCCN=[N+]=[N-])C[C@@H]21 1899965635 IXNPYCMOVICEQN-KGLIPLIRSA-N 323.441 3.408 10 10 DGCE Cn1c(C(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)cc(Cl)c1Cl 1912180859 HFBRZZLURYIFCB-QMMMGPOBSA-N 316.192 3.494 10 10 DGCE CNCc1ccc(N2CC=CC23CCC3)c(Br)c1 1914300886 JJMRCWRSEIWXRU-UHFFFAOYSA-N 307.235 3.467 10 10 DGCE CO[C@@H]1CCN([C@@H](C)c2cc(Br)ccc2O)[C@H]1C 1914346532 SSWANUWWOVJEMU-PKFCDNJMSA-N 314.223 3.325 10 10 DGCE CCC[C@H](C[C@H](N)c1ccccc1O)NC(=O)OC(C)(C)C 1928471120 IJSIADFZUUAFLO-OCCSQVGLSA-N 308.422 3.476 10 10 DGCE CN(C(=O)OC(C)(C)C)C1CC([C@H](N)c2ccccc2O)C1 1928477188 QUVOLLMRHUEYMO-QOZQQMKHSA-N 306.406 3.038 10 10 DGCE C[C@H](CCNC(=O)OC(C)(C)C)N[C@@H]1CCc2cccc(O)c21 1937008855 JZKVFEUOUMXNAZ-TZMCWYRMSA-N 320.433 3.272 10 10 DGCE C[C@@H]1C[C@@H](NCc2ccc(F)cc2O)CN1C(=O)OC(C)(C)C 1963142305 DWTACFYWUJODNX-BXUZGUMPSA-N 324.396 3.019 10 10 DGCE CC(C)(C)[C@](C)(O)CNCc1cc(Br)ccc1O 1964606477 PFZCSWRPBXEDPW-CQSZACIVSA-N 316.239 3.041 10 10 DGCE CC1(C)OCCC[C@@H]1NCc1c(O)cccc1Br 1966074146 XXUDOLCYOVGPOZ-ZDUSSCGKSA-N 314.223 3.202 10 10 DGCE C[C@@H](N(C)c1ccc(CN)c(Br)c1)C(C)(F)F 2009094613 PJWRQPCGDXBPCN-MRVPVSSYSA-N 307.182 3.388 10 10 DGCE C[C@H](O)c1ccc(N2CC(F)(C3CC3)C2)cc1Br 2052007779 FXKZWKCLNDIMKI-VIFPVBQESA-N 314.198 3.441 10 10 DGCE COc1ccc([C@H](C)n2nccc2C(=O)OC(C)(C)C)c(O)c1 2069968765 UWMAOHNHVCWVBN-NSHDSACASA-N 318.373 3.162 10 10 DGCE Cc1ccc(Cn2nc(CO)c(Cl)c2C(F)(F)F)c(O)c1 2079159489 OYCXQSPNKDRAQT-UHFFFAOYSA-N 320.698 3.110 10 10 DGCE C[C@H]1c2cccn2CCN1c1ccc(CN)cc1Br 2114543452 DWTLHLPGUZHTNT-NSHDSACASA-N 320.234 3.291 10 10 DGCE CO[C@@]1(CN(C)c2ccc([C@@H](C)O)cc2Cl)CCSC1 2186186032 PPZAXJCUUUTWRQ-IAQYHMDHSA-N 315.866 3.352 10 10 DGCE CN[C@H](C)c1ccc(N(C)[C@H]2CCOC[C@H]2F)cc1Cl 2186750912 SKBIQCSYCQUSHJ-KMUNFCNLSA-N 300.805 3.184 10 10 DGCE CC(F)(F)c1cc(CNCc2cc(Cl)ccc2O)no1 2192910085 IENVXKDQJGDRLH-UHFFFAOYSA-N 302.708 3.435 10 10 DGCE CSc1ncc(CNC(=O)c2cc(C)nc(Cl)c2)s1 2269300573 DXGHVEIGMKYCRJ-UHFFFAOYSA-N 313.835 3.152 10 10 DGCE CSc1ncc(CN[C@@H]2CN(C)C3(CCCCC3)C2)s1 2284704310 UORDHKNMHDAKMR-LBPRGKRZSA-N 311.520 3.362 10 10 DGCE CC[C@@H](C[C@H](C)O)NCc1ccc(C)c(Br)c1O 2327631347 PNABZQQPHXXGAP-JQWIXIFHSA-N 316.239 3.102 10 10 DGCE CO[C@@H]1CC(C)(C)CC[C@]1(Sc1nccs1)C(=O)O 2351875080 PWMMXYMWVVQBCE-NOZJJQNGSA-N 301.433 3.284 10 10 DGCE CCCN(Cc1ccc(N)cc1)S(=O)(=O)C1CCCCC1 38137111 ASNVRFMGEGQNJF-UHFFFAOYSA-N 310.463 3.143 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CCO[C@H]3CCC[C@@H]32)c1O 43426174 KPVKPOHRXDEQQL-GJZGRUSLSA-N 309.793 3.002 10 10 DGCE Nc1[nH]ncc1-c1nc(-c2ccc(OC(F)F)cc2)cs1 70205232 PJZIKEDZVTZLCP-UHFFFAOYSA-N 308.313 3.384 10 10 DGCE CN[C@@H](CSc1nccs1)c1ccc2c(c1)OCCCO2 81889194 JYOJSPHDOPMPQI-LBPRGKRZSA-N 322.455 3.357 10 10 DGCE COC(=O)[C@H](NCCN=[N+]=[N-])c1ccc(Cl)cc1Cl 90256855 QHZOJJXCPPJCRJ-SNVBAGLBSA-N 303.149 3.107 10 10 DGCE COC(=O)[C@@](C)(NCCN=[N+]=[N-])c1ccc(Cl)c(Cl)c1 90256985 UHDABSIXIJUOLV-LBPRGKRZSA-N 317.176 3.282 10 10 DGCE CCCNCc1c(Sc2nccs2)nc2ccccn12 111569699 FTUZXGQFPJXQDP-UHFFFAOYSA-N 304.444 3.442 10 10 DGCE Cc1ccc(O)c(CNCCCN(C)C(=O)OC(C)(C)C)c1 113335501 XTEYUYDUNDZCTR-UHFFFAOYSA-N 308.422 3.047 10 10 DGCE C[C@@H]1SCCS[C@@H]1c1noc(Cc2ccc(N)cc2)n1 161939828 AJYRSIIIBXMLKR-ZANVPECISA-N 307.444 3.152 10 10 DGCE CNCc1ccc(N(CCCO)C(C)C)c(C(F)(F)F)c1 163699316 XMGOJLVLMNQZDX-UHFFFAOYSA-N 304.356 3.022 10 10 DGCE Cc1ccc2c(c1)[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@H](C)C2 183167931 IPDPTYKAHJUYSC-RCOSEUKUSA-N 323.392 3.469 10 10 DGCE COc1ccc(N2CCN(Cc3ccc(C)nc3C)CC2)cc1 186486849 PMECMHJNPMGVLX-UHFFFAOYSA-N 311.429 3.029 10 10 DGCE CC(C)c1noc(CCN[C@@H](C)c2ccc(F)c(F)c2O)n1 187779395 YXCCXRGKRXXBSP-VIFPVBQESA-N 311.332 3.070 10 10 DGCE Cc1cccc(CN[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)c1O 227631682 VKYOYLHIGZNPBG-CABCVRRESA-N 320.433 3.236 10 10 DGCE C[C@@H](NC/C=C/CNC(=O)OC(C)(C)C)c1ccccc1O 227755427 IQUUZLXGLASLEU-SBDDDAINSA-N 306.406 3.124 10 10 DGCE [N-]=[N+]=NCCCCNS(=O)(=O)c1cc(Cl)cc(Cl)c1 231733701 USNWDUXTACYQDT-UHFFFAOYSA-N 323.205 3.362 10 10 DGCE Cc1cccnc1CNC(=S)Nc1ccc(F)c(F)c1F 244428607 YXTURFGDVUWFRY-UHFFFAOYSA-N 311.332 3.294 10 10 DGCE Cc1cc(Br)c(C(=O)NCCN=[N+]=[N-])cc1Cl 310301800 QOXYBVYNHFROPF-UHFFFAOYSA-N 317.574 3.451 10 10 DGCE O=C(O)/C=C\c1ccc(N2C[C@@H]3C[C@H]3C2)cc1Br 380375955 ICUQBVRPJOVAEJ-MTCWXPTMSA-N 308.175 3.003 10 10 DGCE CN[C@@H]1C(=O)Nc2cc(N(C)Cc3ccccc3)c(Cl)cc21 380899593 NZEWXPHYMSBDLC-INIZCTEOSA-N 315.804 3.189 10 10 DGCE Nc1ccc(CCC(=O)Cc2coc(Br)c2)cc1 393514729 AYPALQIYRVRUGH-UHFFFAOYSA-N 308.175 3.369 10 10 DGCE C[C@@](NCCCN=[N+]=[N-])(C(=O)O)c1c(F)cccc1Cl 394223707 LFFXUMBKKNXXEP-LBPRGKRZSA-N 300.721 3.069 10 10 DGCE C[C@@H](NC[C@]1(C)COc2ccccc2O1)c1ccc(F)cc1O 527930974 IUYHWHACKUNIOK-KZULUSFZSA-N 317.360 3.412 10 10 DGCE CN1CCCc2cc(CNCCC3SCCS3)ccc21 693810847 QPLXQQOFCMHKQH-UHFFFAOYSA-N 308.516 3.355 10 10 DGCE COC[C@@H](C)[C@H](C)NCc1cc(Br)cc(F)c1O 715745300 LUJNTDYCNFXZNT-BDAKNGLRSA-N 320.202 3.054 10 10 DGCE Oc1c(F)cc(Br)cc1CN[C@]12CCC[C@H]1C2 715812260 JNHWZJHRQVZXTO-ZANVPECISA-N 300.171 3.326 10 10 DGCE Cc1cc(CCNCc2ccnn2C)c(C)n1-c1ccccc1 727642866 OFDPUKUWJCDBHZ-UHFFFAOYSA-N 308.429 3.160 10 10 DGCE CCN1C(=O)/C(=C\c2nccc3ccccc23)SC1=S 740763531 DHZVPXIMSRIUKI-UKTHLTGXSA-N 300.408 3.456 10 10 DGCE CC[C@H](NC(=O)N[C@H](C)c1cc(OC)ccc1O)C(F)(F)F 787310854 SFJVWNJXGFHSNB-PELKAZGASA-N 320.311 3.102 10 10 DGCE CCN1C(=O)/C(=C/c2ccnn2-c2ccccc2)SC1=S 790597529 DKLHVNQQUJWHDO-RAXLEYEMSA-N 315.423 3.093 10 10 DGCE CCN(CC)c1ccc(/C=C\c2ncncc2C(=O)OC)cc1 790610174 SVZCDZCOZKVTAE-FLIBITNWSA-N 311.385 3.280 10 10 DGCE CCOc1ccc(O)c(CN2CCOC[C@H]2CC2CCC2)c1 816667800 XHQNBFUHIKLJMR-MRXNPFEDSA-N 305.418 3.182 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCC[C@@H](CCO)CC2)cc1 817419641 VQKXQLINIAYUAE-LKIHTYOGSA-N 302.462 3.250 10 10 DGCE C[C@H](N[C@@H]1CCCCNC1)c1ccc(Cl)c(Cl)c1O 817983922 LSYJGMWPCIVLCX-VHSXEESVSA-N 303.233 3.492 10 10 DGCE C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)C1CCCC1 825284009 CSXCMHXEVDCHRJ-AWEZNQCLSA-N 306.425 3.331 10 10 DGCE COc1ccc(O)c(CN[C@@H](c2ccccc2)[C@H](O)C(C)C)c1 827525607 BIZFDDMMESFDAA-RBUKOAKNSA-N 315.413 3.249 10 10 DGCE CCC[C@H](C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)C(C)C 855234014 QOFJGKWTJOOYQX-QAPCUYQASA-N 318.461 3.462 10 10 DGCE Cc1ccc(C(=O)N(C)C[C@@H]2CCc3ccccc32)c(O)c1O 856306357 YUNZXQCTPGELBK-AWEZNQCLSA-N 311.381 3.208 10 10 DGCE CCOC(=O)C1=CC[C@H](N[C@H]2C[C@H](C)c3c(F)ccc(O)c32)C1 858505484 LCORRNSTACVUME-JKOKRWQUSA-N 319.376 3.321 10 10 DGCE CN(Cc1ccccc1O)C(=O)c1cccc(OC(C)(C)C)n1 860048391 UNVNBWGBECFKLX-UHFFFAOYSA-N 314.385 3.237 10 10 DGCE O=C(NCc1ccc(N2CCCC2)cc1)OCCC(F)(F)F 866484704 ATIBGGYVCNVYHQ-UHFFFAOYSA-N 316.323 3.465 10 10 DGCE CC1(C)CN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1c1ccco1 869788462 QRUMZISYJOSLMX-DBWMJRBXSA-N 313.353 3.314 10 10 DGCE CCO[C@H](CN[C@@H](CC)c1cccc(Cl)c1O)CN(C)C 926962606 RASLHIDZSKWTER-DOMZBBRYSA-N 314.857 3.053 10 10 DGCE CCc1noc([C@@H]2CC[C@@H](N[C@@H](C)c3cc(F)ccc3O)C2)n1 927046351 BJYKZSYCEGCEQA-DMDPSCGWSA-N 319.380 3.464 10 10 DGCE CCCc1occc1C(=O)NCc1ccc2cccnc2c1O 1142728660 ZISAIYGACSEMMJ-UHFFFAOYSA-N 310.353 3.416 10 10 DGCE Cc1c(C(=O)N[C@@H](C)c2ccccc2O)cccc1[N+](=O)[O-] 1151892726 XRFVLDCLMOPVAR-NSHDSACASA-N 300.314 3.100 10 10 DGCE C/C(=C\C(=O)N1CCOc2cc(N(C)C)ccc21)c1ccco1 1361101851 DRZBHQVCXAPHMJ-ACCUITESSA-N 312.369 3.175 10 10 DGCE Cc1ccc(C(=O)NCc2ccc(O)cc2O)cc1-n1cccc1 1451772334 VLPSNUHGBPHLMB-UHFFFAOYSA-N 322.364 3.127 10 10 DGCE CC/C=C(/C)C(=O)NC[C@H](CC)NCc1ccc(OC)c(C)c1 1481794194 NDOZZVUCCBXLDL-QHIITQONSA-N 318.461 3.344 10 10 DGCE C[C@H](Sc1ccc(F)cc1)C(=O)NCc1ccccc1O 1545681792 CLERNKWOKOWKSZ-NSHDSACASA-N 305.374 3.328 10 10 DGCE Cc1ccc(-c2ncco2)cc1NC(=O)Cc1ccc(O)c(O)c1 1556089273 BAUMSLGELLYJLZ-UHFFFAOYSA-N 324.336 3.242 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)C[C@H]2CCC[C@@H]2C)cc1 1585450347 UEXIPNKCMYLVAH-JKSUJKDBSA-N 318.461 3.416 10 10 DGCE Cc1cccc(C)c1CCNC(=O)c1ccc(N=NC(N)=O)cc1 1588073292 WOTDKGYQUJGPJX-UHFFFAOYSA-N 324.384 3.438 10 10 DGCE C[C@@H](CSc1ccccc1)C(=O)NCc1cccc(O)c1O 1593739547 PVUMHJAJKSIBDC-LBPRGKRZSA-N 317.410 3.142 10 10 DGCE C[C@H](NC(=O)C1=NO[C@H](c2ccccc2)C1)c1ccccc1O 1632250621 YRJWYTXQBFZFNS-SJCJKPOMSA-N 310.353 3.087 10 10 DGCE COc1cc2ccccc2cc1C(=O)NCc1cccc(O)c1O 1643809371 LPOITIZSVZJLCK-UHFFFAOYSA-N 323.348 3.190 10 10 DGCE Cc1ccc([C@@H]2C[C@H]2C(=O)NCc2cc(O)ccc2O)cc1C 1643882143 OXWATKLNZLBQNG-DLBZAZTESA-N 311.381 3.135 10 10 DGCE COc1ccc(CN[C@H](C)[C@H](C)NC(=O)CC(C)(C)C)cc1C 1733961584 CWZKOHZVFRBKRM-CABCVRRESA-N 320.477 3.423 10 10 DGCE Cc1ccn2cc(C(=O)N(c3ccc(N)cc3)C3CC3)nc2c1 1857926996 NWLBRMRPGSESPM-UHFFFAOYSA-N 306.369 3.034 10 10 DGCE Oc1ccc(-c2cn3cccc(Br)c3n2)cc1O 1865746137 TUPWJIYQXDOYNS-UHFFFAOYSA-N 305.131 3.175 10 10 DGCE COC(=O)c1c(NC(=O)C(C)=O)sc(C)c1-c1ccccc1 1865939458 WYQWRQRQTGLVCV-UHFFFAOYSA-N 317.366 3.038 10 10 DGCE CCN(CCN=[N+]=[N-])C(=O)c1ccsc1Br 1900608054 VFIBHKLRFWFPSQ-UHFFFAOYSA-N 303.185 3.283 10 10 DGCE CN(CCN=[N+]=[N-])C(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1 1912206271 RXMVCLSHHXTMSU-UHFFFAOYSA-N 318.120 3.284 10 10 DGCE CCC[C@@H](C[C@H](N)c1ccccc1O)NC(=O)OC(C)(C)C 1928471119 IJSIADFZUUAFLO-JSGCOSHPSA-N 308.422 3.476 10 10 DGCE COCCCN(Cc1ccccc1)c1ccc(OC)cc1N 1931947602 WJHFICPZNXKZMM-UHFFFAOYSA-N 300.402 3.321 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@]21[C@@H](N)c1ccccc1O 1936967916 LPTKXKSCLLPNET-HNJNHCNJSA-N 318.417 3.182 10 10 DGCE CN[C@H](c1ccccc1O)[C@]1(C)CCCN1C(=O)OC(C)(C)C 1936970723 OGDSKWCODBONFH-QAPCUYQASA-N 320.433 3.442 10 10 DGCE CN[C@H](c1ccccc1O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C 1936973415 JZHNKVFXXFAQNW-XEZPLFJOSA-N 320.433 3.298 10 10 DGCE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CCCN=[N+]=[N-] 1962287943 OWWLZRJIQRXZFM-ZDUSSCGKSA-N 311.430 3.264 10 10 DGCE C[C@@H]1CC[C@H](CCNCc2cc(Br)ccc2O)O1 1967774744 GGNMKHMRGXNAIJ-ZWNOBZJWSA-N 314.223 3.202 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCOC[C@@H]1C(F)F 1971849792 KFTIWAWVOBRQEF-SNVBAGLBSA-N 312.143 3.165 10 10 DGCE Oc1cccc(F)c1CNCc1csnc1Br 1997945484 JKRVGKOPCDZVBT-UHFFFAOYSA-N 317.183 3.040 10 10 DGCE O=C(O)C=Cc1ccc(N2CC=C(Br)CC2)cc1 2031539753 OGMRRHQHDRQCRJ-UHFFFAOYSA-N 308.175 3.273 10 10 DGCE C[C@H]1C[C@H](CN(C)Cc2cc(Br)ccc2O)CO1 2040273537 FOSXZVTWFQICHL-WDEREUQCSA-N 314.223 3.012 10 10 DGCE Cc1cc(C(=O)OC(C)(C)C)n(Cc2cc(F)ccc2O)n1 2070003058 GNAIDNCHLAVTJT-UHFFFAOYSA-N 306.337 3.040 10 10 DGCE CC[C@@H](c1ccc(C)cc1O)n1nc(C2CCC2)c(CN)c1N 2079014772 ILYODYYHOMJRSV-HNNXBMFYSA-N 314.433 3.205 10 10 DGCE Cn1c(-c2cccc(O)c2O)nc2ccc(Br)cc21 2087730067 USWWCFILGHTSLO-UHFFFAOYSA-N 319.158 3.414 10 10 DGCE Oc1c(Br)cccc1CNc1ccc2cncn2c1 2131241210 HXBIHPXXYKXVRO-UHFFFAOYSA-N 318.174 3.415 10 10 DGCE NCc1cc(F)c(N2C[C@H]3CC(F)(F)C[C@H]3C2)cc1Cl 2182838829 VJYDELFCAHZOQJ-AOOOYVTPSA-N 304.743 3.419 10 10 DGCE C[C@@H](N)c1ccc(N2CC(O)(c3cccs3)C2)c(Cl)c1 2193352059 CSJCXZBFSFVGPN-SNVBAGLBSA-N 308.834 3.129 10 10 DGCE Cc1cc([C@@H](C)O)ccc1N1CCN(Cc2ccccc2)CC1 2212704569 QVLZXZBLLMCIBB-QGZVFWFLSA-N 310.441 3.371 10 10 DGCE CSc1ncc(CNC[C@@H]2CN[C@H]3CCCC[C@@H]3C2)s1 2284728897 PCCXUARQAUIFRJ-BZPMIXESSA-N 311.520 3.123 10 10 DGCE [N-]=[N+]=NCCCN[C@@H](C(=O)O)c1ccc(C(F)(F)F)s1 2295067846 KXZSTYXJDFPIFD-MRVPVSSYSA-N 308.285 3.183 10 10 DGCE Cc1c(C=CC(=O)N(C)c2ccc(OC(C)C)cc2)cnn1C 2311931452 WCWKVYUQGCHQTN-UHFFFAOYSA-N 313.401 3.192 10 10 DGCE CC[C@@H](C)OC(=O)NCc1ccc(C)c(Br)c1O 2327631689 RVYVFEZUGIUASS-SECBINFHSA-N 316.195 3.488 10 10 DGCE Cc1cc(C)cc(N=NN2CCN(C(=O)c3ccco3)CC2)c1 2330209676 JFUMAROCSPPFDL-UHFFFAOYSA-N 312.373 3.353 10 10 DGCE CN1N=C(c2ccccc2)C(=Cc2c[nH]c3ccccc23)C1=O 2332128052 LLDIVKQOXHAQSX-UHFFFAOYSA-N 301.349 3.428 10 10 DGCE CSc1ncc(CNc2cc(=N)[nH]c3ccccc23)s1 2370538021 PERXKVFZJKQIBX-UHFFFAOYSA-N 302.428 3.438 10 10 DGCE COc1ccc(CNc2ccc(Cl)c(C(=O)O)c2)c(O)c1 40906519 ZTRJWGFDOBJNSZ-UHFFFAOYSA-N 307.733 3.365 10 10 DGCE NCC[C@H]1CN(Cc2cc(Cl)ccc2O)c2ccccc21 63126844 YZPWXVWHPUTRGZ-LBPRGKRZSA-N 302.805 3.498 10 10 DGCE O=C(O)c1nc2c(O)cccn2c1/N=N\c1cccc(F)c1 71602018 PQQJNAZRGWGNQT-ZCXUNETKSA-N 300.249 3.293 10 10 DGCE CC[C@]1(C)CN(CC2CCNCC2)c2ccc(OC)cc2N1 76931125 QJRAJDNQQGOYMP-GOSISDBHSA-N 303.450 3.095 10 10 DGCE c1ccc(N2CC[C@H](CNCc3ccc4c(c3)CCO4)C2)cc1 78821761 DNPFEHLFYOTVRG-QGZVFWFLSA-N 308.425 3.238 10 10 DGCE OC[C@H](NCc1ccc2c(c1)CCO2)c1ccc(Cl)cc1 93114912 XZEHLZHYVFULRD-INIZCTEOSA-N 303.789 3.098 10 10 DGCE CCOc1cccc(CN(C)CCc2ncc(C)s2)c1O 93807212 MFVSLOFFOWEQCL-UHFFFAOYSA-N 306.431 3.230 10 10 DGCE O=C(/C=C/c1ccc(N2CCOCC2)cc1)OC1CCCCC1 108669665 YSOLIPFIOLCYKD-DHZHZOJOSA-N 315.413 3.412 10 10 DGCE COc1ccc(O)c(CNC(=O)N[C@H](C)c2cccs2)c1 172065687 QEEOJOXUPCLADT-SNVBAGLBSA-N 306.387 3.023 10 10 DGCE C[C@H](c1cccc(O)c1)N(C)Cc1cc([N+](=O)[O-])ccc1O 173366195 URVVBAMXYAWFPZ-LLVKDONJSA-N 302.330 3.199 10 10 DGCE CC[C@@H](NCC(=O)N1CCCc2ccccc21)c1ccccc1O 183311284 GQSAVHWTHZFOAJ-QGZVFWFLSA-N 324.424 3.412 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1NCc1cccc(F)c1O 227632886 MHMKLJSHTWZOLJ-KBPBESRZSA-N 324.396 3.067 10 10 DGCE Cc1cc(Br)cc(NC(=O)c2ccc(O)c(O)c2)c1 230235019 WBMZFQRJKJWLTE-UHFFFAOYSA-N 322.158 3.421 10 10 DGCE NCc1ccc(C(=O)Nc2cccc(N3CCCCC3)c2)cc1 238007955 GYXOVHDFPIDJNA-UHFFFAOYSA-N 309.413 3.388 10 10 DGCE C[C@H]1CN(Cc2cc(F)ccc2O)C[C@@H](c2ccccc2)O1 245997809 RMIBXGCLUNAYML-UGSOOPFHSA-N 301.361 3.493 10 10 DGCE COc1ccc(N(C[C@@H](O)COC(C)(C)C)[C@@H](C)C2CC2)cc1 247007899 XEGBWAJHPJRAHU-WMLDXEAASA-N 321.461 3.476 10 10 DGCE CCN[C@@H]1C(=O)Nc2cc(N(C)C[C@H]3C[C@H]3C)c(Cl)cc21 252614025 XSPOEUONNZXPJG-FCHSOHFDSA-N 307.825 3.035 10 10 DGCE COc1ccc(O)c(CNC(=O)C/C=C\c2ccc(F)cc2)c1 255338315 JBTLSGFKYSUUEZ-IHWYPQMZSA-N 315.344 3.260 10 10 DGCE CCOc1ccc(O)c(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1 290826764 HERMFQUSRCMAAU-ROUUACIJSA-N 317.429 3.324 10 10 DGCE C[C@@H]1C[C@H](CCNCc2cc(Cl)c(F)cc2O)CCO1 293636711 NPCYLUCRXTVUGS-GHMZBOCLSA-N 301.789 3.480 10 10 DGCE COc1ccc(O)c(CNc2cc(C)cnc2Br)c1 311597142 SFHRBVPIRJKQML-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE C[C@H](NCc1cc(Br)ccc1O)[C@H]1CCCCO1 379179826 ORCBFHPGFAWNDQ-IINYFYTJSA-N 314.223 3.202 10 10 DGCE CCc1cccc(CN[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)c1O 691522007 JOVAIUAMLONVQO-OLZOCXBDSA-N 322.449 3.346 10 10 DGCE Oc1ccc(CCNCc2c(O)cccc2Br)cc1 706821897 SOAROJMPOQGJMI-UHFFFAOYSA-N 322.202 3.193 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H](C)c1cccnc1 734467807 FUOBADQWGITIRM-OAHLLOKOSA-N 311.429 3.266 10 10 DGCE C[C@H](NCc1ccc(N(C)C)c(F)c1)c1cn2ccccc2n1 788583039 ISHPAIXNGACCJB-ZDUSSCGKSA-N 312.392 3.390 10 10 DGCE CN(C)[C@H]1CCOc2c(NC(=O)c3cc(O)cs3)cccc21 791039752 XTBMXACUGVOELL-ZDUSSCGKSA-N 318.398 3.091 10 10 DGCE COc1cc(C)cc(CN2CC[C@@H](C(F)(F)F)[C@@H]2C)c1O 794659141 LMHBKJYFTMOUQX-CMPLNLGQSA-N 303.324 3.482 10 10 DGCE CN(C)c1ccc(CN[C@@H]2CCOC2(C)C)c(C(F)(F)F)c1 824625294 IQAKCNPXRORLHM-CQSZACIVSA-N 316.367 3.429 10 10 DGCE COc1cc(N2CC(C)(CC(F)F)C2)c([N+](=O)[O-])cc1OC 826594032 YGGOGTIQGZYLGL-UHFFFAOYSA-N 316.304 3.094 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@@]2(CO)CCc3ccccc32)cc1 835042314 SNXMADHFDIIQPX-QEVIJRNUSA-N 322.452 3.189 10 10 DGCE C[C@H](C(=O)NC(C)(C)C)N(C)C/C=C/c1ccc(N(C)C)cc1 835045886 LGXUNBZVHPIBMB-XVJNWHFHSA-N 317.477 3.001 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1[C@@H](C)C[C@@H]1C 840481406 DMBLHILGLPJQFH-KKUMJFAQSA-N 303.450 3.184 10 10 DGCE Cc1cc(O)c(CNC2C[C@@H]3CCC[C@H](C2)N3C)c(Cl)c1 840906582 WJMOVNMZMOAZLP-AGUYFDCRSA-N 308.853 3.459 10 10 DGCE Cc1cc(O)c(CN2CCC[C@@H](c3ncc[nH]3)C2)c(Cl)c1 840911136 QQTLBSURCCPKNF-GFCCVEGCSA-N 305.809 3.457 10 10 DGCE CCO[C@H]1C[C@H](NCc2cc(C)cc(Br)c2O)C1 850360712 NPYNTYQVZWWSGP-HAQNSBGRSA-N 314.223 3.120 10 10 DGCE CCN(C)c1ccc([C@H](C)N[C@H](COC)C2CCOCC2)cc1 850491539 FAFBHTSFWOHMSQ-HNAYVOBHSA-N 320.477 3.235 10 10 DGCE C[C@]12C[C@@H]1CCC[C@@H]2NCc1ccc(N2CCC(O)CC2)cc1 850567941 MKWUQNNCEINCLA-VDGAXYAQSA-N 314.473 3.316 10 10 DGCE CCC[C@@H](C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)C(C)C 855234012 QOFJGKWTJOOYQX-CRAIPNDOSA-N 318.461 3.462 10 10 DGCE O=[N+]([O-])c1ccc(O)c(CNc2cccc3c2OCCCO3)c1 865851337 AMBDOOXDYFVOHG-UHFFFAOYSA-N 316.313 3.074 10 10 DGCE COc1ccc(F)cc1CNCc1cc(C)cc(OC)c1O 894495533 PEBZSCSHOBPEJX-UHFFFAOYSA-N 305.349 3.147 10 10 DGCE CCOc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c(F)c1 1162211809 HGMFMEABNABJJR-XBXARRHUSA-N 317.316 3.288 10 10 DGCE C[C@H]1C[C@H](N[C@H](C)c2ccccc2O)CN1C(=O)OC(C)(C)C 1168826167 XABWROMBTCSVEX-MJBXVCDLSA-N 320.433 3.441 10 10 DGCE CO[C@H]1CCC[C@@H]1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1356267182 NMLCENKTTDDLSD-ROUUACIJSA-N 316.445 3.060 10 10 DGCE CCOc1ccc(N(CC2CC2)C[C@H](O)C(F)(F)F)cc1 1473718632 TVMQRSXPKFRNDS-AWEZNQCLSA-N 303.324 3.225 10 10 DGCE COc1ccc(CNC[C@@H](C)CNC(=O)C2CCCC2)cc1C 1482074019 VZOTZFHFCYINSF-CQSZACIVSA-N 318.461 3.036 10 10 DGCE Cc1ccncc1[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1631513202 BWYIHDLHVFJLBR-LLVKDONJSA-N 311.345 3.043 10 10 DGCE Cc1cccn2cc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)cc12 1632681796 VJGVHQAHRZKGCY-ZDUSSCGKSA-N 324.380 3.020 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)[C@@H](C)C(C)(C)C 1633817802 BAIZIOLPABGBRV-JHJVBQTASA-N 307.434 3.463 10 10 DGCE C[C@H](NC(=O)N[C@H]1C[C@H]2C=C[C@H]1CC2)c1ccc(N(C)C)cc1 1634435440 NKKVJPGBYLMDDY-DNUAJFIVSA-N 313.445 3.468 10 10 DGCE Cc1cc(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)ccn1 1641104327 AHNGHGDKPDGOJK-UHFFFAOYSA-N 320.396 3.123 10 10 DGCE Cc1ccccc1NC(=O)CCNCc1ccc(N(C)C)cc1 1857851536 YERIGIBNUDHYFJ-UHFFFAOYSA-N 311.429 3.179 10 10 DGCE C[C@H](Oc1ccc(N)cc1)C(=O)Nc1cc(Cl)ccc1O 1860077677 CQKPAVMIMUUMIN-VIFPVBQESA-N 306.749 3.034 10 10 DGCE CCCN[C@@H](CN(C)C(=O)OC(C)(C)C)c1ccccc1O 1928477160 QNQJKJFNJYEVOM-AWEZNQCLSA-N 308.422 3.300 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C[C@@H](N)c2ccccc2O)C1 1936967295 GDVWPDKMWXGSFK-UMVBOHGHSA-N 320.433 3.476 10 10 DGCE Cc1csnc1CNCc1cc(Br)ccc1O 1947791809 VIMVCOWNYDIMLL-UHFFFAOYSA-N 313.220 3.209 10 10 DGCE CN(C)c1ccc([C@H](N)CCCNC(=O)OC(C)(C)C)cc1 1959562855 SQYRZJZYBLYWER-OAHLLOKOSA-N 307.438 3.057 10 10 DGCE C[C@H](C[C@H](N)c1ccc(N(C)C)cc1)NC(=O)OC(C)(C)C 1959563288 ZFJHUDHLTZVATQ-DOMZBBRYSA-N 307.438 3.056 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1C[C@@](F)(CNc2ccc(N)cc2)C1 1960152487 MZMMCVKPBSNCCL-SAZUREKKSA-N 309.385 3.076 10 10 DGCE CC[C@H](CCNC(=O)OC(C)(C)C)NCc1cccc(C)c1O 1994449912 LWIWHWAVAWTSCE-OAHLLOKOSA-N 322.449 3.484 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(CCCN=[N+]=[N-])C[C@H]2C1 1995007830 ZMJYNMNZLAUFJU-BFHYXJOUSA-N 323.441 3.312 10 10 DGCE Oc1cccc(F)c1CNCc1cnc(Br)s1 1997951879 ZJWFDTVLAPPZQU-UHFFFAOYSA-N 317.183 3.040 10 10 DGCE Cc1cccc(O)c1CNCc1cnc(Br)s1 1997968105 NLYXXOWMEOVGCF-UHFFFAOYSA-N 313.220 3.209 10 10 DGCE C[C@@H](NCc1ccc(Br)cc1O)c1cnsc1 1998188521 LNHYTRAEXORPIT-MRVPVSSYSA-N 313.220 3.462 10 10 DGCE O=C(c1cccc2c1NCC2)c1scnc1Br 2000168391 AYGVZUUWNVYKAR-UHFFFAOYSA-N 309.188 3.105 10 10 DGCE Oc1c(Br)cc(Cl)cc1CNCc1ncco1 2013466231 OVHANDPIBPUEHV-UHFFFAOYSA-N 317.570 3.086 10 10 DGCE CCNCc1ccc(N2C[C@H](F)C[C@@H]2C)cc1Br 2042192167 GHWZBAOWSUTIEK-CMPLNLGQSA-N 315.230 3.495 10 10 DGCE Cc1oc(Br)cc1[C@@H](O)c1ccc(N(C)C)cc1 2044713287 HJTSTONOOOVWTL-AWEZNQCLSA-N 310.191 3.498 10 10 DGCE CN(Cc1ccc(Br)o1)c1ccc(CN)cc1F 2050632647 XJAKRPYZSCLDLO-UHFFFAOYSA-N 313.170 3.276 10 10 DGCE O=C(O)c1cc(C2CCCC2)nn1Cc1cccc(F)c1O 2069905067 LBLCAEXXMIBFFP-UHFFFAOYSA-N 304.321 3.132 10 10 DGCE C[C@H](N)c1ccc(N2CCS[C@@H]3COCC[C@@H]32)cc1Cl 2170485886 HBAHKDDKIYQFNT-NZVBXONLSA-N 312.866 3.070 10 10 DGCE C[C@H]([C@@H]1CCCOC1)N(C)c1cc(Cl)c(CN)cc1F 2177391142 ZIIXVRZJISFEIB-GHMZBOCLSA-N 300.805 3.189 10 10 DGCE CNCc1cc(F)c(N(C)C[C@H](F)C(F)(F)F)c(F)c1 2179756917 ZRYULXJPTKWDOD-JTQLQIEISA-N 300.246 3.021 10 10 DGCE CN[C@@H](C)c1cc(F)c(N2CCSC[C@H](C)C2)c(F)c1 2194707244 CSXLDXXBFSKBOO-MNOVXSKESA-N 300.418 3.435 10 10 DGCE CSc1ncc(CN[C@H]2CC[C@@H](P(C)(C)=O)C2)s1 2208836848 QOUWVNJBLGCBQW-VHSXEESVSA-N 304.421 3.498 10 10 DGCE CC(C)n1nc(Br)cc1C(=O)Cc1ccc(N)cc1 2224233527 WPSGCLKVTAQXSC-UHFFFAOYSA-N 322.206 3.234 10 10 DGCE CS(=O)(=O)c1cscc1NCc1ccc(Cl)cc1O 2272849972 OZCDFLMMPYRKJB-UHFFFAOYSA-N 317.819 3.123 10 10 DGCE COc1ccc([C@@H](C)NCc2cnc(SC)s2)c(O)c1 2284688747 LQPJMABYMFBJSQ-SECBINFHSA-N 310.444 3.430 10 10 DGCE Cc1ccc(CN2CCO[C@@H](C)[C@@H]2C)c(O)c1Br 2327581196 LNIFEXKVEJXXJD-QWRGUYRKSA-N 314.223 3.072 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)CCc1ccccc1O 115281891 NASULLYEPAZSIS-UHFFFAOYSA-N 312.413 3.016 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CCCOC1 170934586 RGSIRCFLSWNZBN-CYBMUJFWSA-N 304.415 3.064 10 10 DGCE Oc1c(Cl)cccc1CN1CCO[C@@H](c2nccs2)C1 180008074 BWCWCJRZFVQLMZ-GFCCVEGCSA-N 310.806 3.076 10 10 DGCE Cc1ccc(O)c([C@H](C)N[C@@H](C)c2nnc3n2CCCC3)c1 185585372 JESOZJBJQTTXDF-STQMWFEESA-N 300.406 3.040 10 10 DGCE C[C@@H](CN[C@@H](C)c1ccc(F)c(F)c1O)CN1CCCCC1 191211189 UGBPLIYJPPLYBJ-STQMWFEESA-N 312.404 3.443 10 10 DGCE C[C@H]1CN(c2c(F)cc(/C=C\C(=O)O)cc2F)C[C@@H](C)S1 216966144 WPKHCQNVJJFFBJ-BZDJSAGESA-N 313.369 3.393 10 10 DGCE CC[C@@H](CO)NC(=S)N(c1ccccc1)c1ccc(N)cc1 243113582 JFZVICRGSHZFBS-AWEZNQCLSA-N 315.442 3.052 10 10 DGCE C[C@@H](NC/C=C\CNC(=O)OC(C)(C)C)c1cc(F)ccc1O 309692278 KOHADDNWWVHWIS-FOQNGQEVSA-N 324.396 3.263 10 10 DGCE C/C(Nc1ncccc1OCc1ccccc1)=C1/C=COC1=O 382032081 DWSQMVDKDNCMJG-FYWRMAATSA-N 308.337 3.417 10 10 DGCE Cc1cc(O)c([C@H](CC(=O)O)NC(=O)OC(C)(C)C)cc1C 687754516 JSDWPBQCWHZFTC-LBPRGKRZSA-N 309.362 3.050 10 10 DGCE CS[C@@H]1CC[C@@H]1NCc1c(O)cccc1Br 706824844 KNLQTKKAHFLJDG-CMPLNLGQSA-N 302.237 3.138 10 10 DGCE COc1cccc(CN2CCO[C@H](C3CCCCC3)C2)c1O 758062558 KTEYCFWGGSGZKW-KRWDZBQOSA-N 305.418 3.182 10 10 DGCE Oc1ccccc1CN1CCCN(c2ccc(F)c(F)c2)CC1 793607178 PGGFBOIQXJOBDC-UHFFFAOYSA-N 318.367 3.383 10 10 DGCE Nc1ccc(Cn2ccc3c2CCN=C3c2ccc(N)cc2)cc1 821283081 AVFNETVUQHKGDB-UHFFFAOYSA-N 316.408 3.094 10 10 DGCE COc1cc(O)c(CNc2cncc3c2CCCC3)cc1OC 826815872 QMQKSKQEPAYYGA-UHFFFAOYSA-N 314.385 3.295 10 10 DGCE CCOc1ccc(CN2Cc3c[nH]nc3CC(C)(C)C2)c(O)c1 828013377 BWNQXNSSYZLMRA-UHFFFAOYSA-N 315.417 3.099 10 10 DGCE CC(C)Oc1ccc(N(C)Cc2cn(CC3CC3)nn2)cc1 829233923 GQNFHRRCAKZIAP-UHFFFAOYSA-N 300.406 3.112 10 10 DGCE CCc1cccc(CNc2ccc(N3CCOCC3)cc2)c1O 848892332 SMWWCIDYANMPNI-UHFFFAOYSA-N 312.413 3.403 10 10 DGCE CC[C@H](N[C@H]1CCCN2CCSC[C@@H]12)c1ccccc1O 903271145 JLWAOUQDGUZEES-JYJNAYRXSA-N 306.475 3.013 10 10 DGCE C[C@H](N[C@H](CCN(C)C)c1cccnc1)c1ccc(F)cc1O 903380778 PHVRYSKDKFLXLE-SUMWQHHRSA-N 317.408 3.270 10 10 DGCE CO[C@@]1(CNCc2ccc(N3CCCCC3)cc2)CCSC1 922572858 MBHHSWWENABNAO-GOSISDBHSA-N 320.502 3.289 10 10 DGCE CC(C)(C)c1ncc(NC(=O)N2Cc3cccc(O)c3C2)cn1 929978401 QANYMZSHMPQKJX-UHFFFAOYSA-N 312.373 3.027 10 10 DGCE CN(C)c1ccc(CNC(=O)c2ccc3ccncc3c2)cc1F 1125469566 UDSJDKWMHSVWHI-UHFFFAOYSA-N 323.371 3.370 10 10 DGCE CCN1C(=O)/C(=C/c2nc3c(s2)C[C@@H](C)CC3)SC1=S 1320399801 WKQGUNKLYOXXJO-CLUBXZQOSA-N 324.496 3.489 10 10 DGCE C=CC(=O)Nc1ccc(C(=O)N[C@H](C)c2ccccc2O)cc1 1454805415 JMCYEXKZAAZNRT-GFCCVEGCSA-N 310.353 3.008 10 10 DGCE O=C(NCc1ccccc1O)c1nc2ccccc2nc1C1CC1 1465990495 LAUSYFVWFHMMCW-UHFFFAOYSA-N 319.364 3.143 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1ccc2[nH]ccc2n1 1558555143 TYNRTGOHSGUMDK-UHFFFAOYSA-N 317.348 3.352 10 10 DGCE C[C@@H](N[C@H](C)c1ccccc1O)C(=O)Nc1cccc(F)c1 1560074897 KRNFBGZRBLYUHT-VXGBXAGGSA-N 302.349 3.209 10 10 DGCE C[C@@H](NC(=O)CCc1cc(F)ccc1F)c1ccccc1O 1587445094 VBCJTUVITYAECR-LLVKDONJSA-N 305.324 3.480 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1cc(F)ccc1O 1597736939 PIKGAQSFAAJPHP-UHFFFAOYSA-N 311.312 3.320 10 10 DGCE C[C@H](NC(=O)/C=C\c1ccnc(Cl)c1)c1ccccc1O 1632250192 MULGFPJSKBURCY-ZADCQDASSA-N 302.761 3.331 10 10 DGCE CCCCC[C@H](O)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C 1638243612 JEJONXBOAZEMRK-QAPCUYQASA-N 320.477 3.049 10 10 DGCE CC(C)Oc1ccc(N(C)C(=O)Cc2ccc(O)c(O)c2)cc1 1638552847 FFHYVIUFWSWIGD-UHFFFAOYSA-N 315.369 3.091 10 10 DGCE C[C@@H](NC(=O)c1ccncc1C(F)(F)F)c1ccccc1O 1648889604 DGTSYPFKQKAIDZ-SECBINFHSA-N 310.275 3.297 10 10 DGCE CCCN1N=C(c2ccccc2)/C(=C/c2ccc(O)cc2)C1=O 1865658774 RQJXNDWMJXZQTD-LGMDPLHJSA-N 306.365 3.432 10 10 DGCE CCCC1=NN(CCC)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1 1865680126 YTUHBGFNNPQRDJ-SDNWHVSQSA-N 301.346 3.387 10 10 DGCE [N-]=[N+]=N[C@H]1CCN(CC(=O)Nc2c(Cl)cccc2Cl)C1 1912143703 JNPFGPLNQDBTQP-QMMMGPOBSA-N 314.176 3.317 10 10 DGCE [N-]=[N+]=N[C@H]1CCN(C(=O)C=Cc2cccc(Br)c2)C1 1912144637 WLODKZIPIMBMNN-LBPRGKRZSA-N 321.178 3.374 10 10 DGCE CN[C@@H](c1ccccc1O)[C@@H](CNC(=O)OC(C)(C)C)C(C)C 1936973348 GGQUXKUQPSDDOK-HOCLYGCPSA-N 322.449 3.450 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[C@@H](N)c1ccccc1O 1936983730 RYYWYCQYSYPPKE-DVOMOZLQSA-N 320.433 3.285 10 10 DGCE Oc1cccc(Br)c1CN[C@@H](C(F)F)C1CC1 1942731503 GBQAAVCZYTWIPE-LLVKDONJSA-N 306.150 3.288 10 10 DGCE CC(C)[C@H]1C[C@]1(NC(=O)OC(C)(C)C)c1cc(N)ccc1O 1953007223 CKZGUSWLPBNVRP-DYVFJYSZSA-N 306.406 3.370 10 10 DGCE CN(C)c1ccc([C@@H](N)CC(C)(C)NC(=O)OC(C)(C)C)cc1 1977944379 FGZWOAHRLKKCCS-HNNXBMFYSA-N 321.465 3.446 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CNc3ccc(N)cc3)C[C@H]21 1994780252 DTAJKQRWULIZFY-APHBMKBZSA-N 317.433 3.326 10 10 DGCE COc1cccc(O)c1[C@H](C)N[C@@H]1Cc2ccccc2[C@@H]1OC 2063554621 VFDGONKLMKAIKL-HGQUKEQDSA-N 313.397 3.364 10 10 DGCE CC[C@H](CN(C)c1ccc([C@@H](C)N)c(Br)c1)OC 2068254607 QXFYMXSGRMQQQM-ZYHUDNBSSA-N 315.255 3.330 10 10 DGCE CN(CC[C@@H]1CCOC1)Cc1ccc(Br)cc1O 2075514886 KSBLNIWLDBMHNJ-LLVKDONJSA-N 314.223 3.013 10 10 DGCE CCc1nn(Cc2cccc(Cl)c2O)c(N)c1C1(C)CC1 2079684697 UDXZWNDVGNDWFA-UHFFFAOYSA-N 305.809 3.487 10 10 DGCE C[C@@H](O)c1ccc(N(C)[C@H]2COCCC2(F)F)cc1Cl 2168226809 DKPLATSFEPSGTR-RNCFNFMXSA-N 305.752 3.254 10 10 DGCE COC1(CF)CN(c2ccc(CNC(C)C)cc2Cl)C1 2168869939 MJIMUMHUHKYTJP-UHFFFAOYSA-N 300.805 3.013 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1CCN(C2CCC2)C1 2169574207 RHFXSEHOEGHNCR-GFCCVEGCSA-N 315.244 3.415 10 10 DGCE CCO[C@@H](CNCc1cc(Cl)cc(OC)c1O)C(C)C 2188360298 BFTNDBVSOVKZKX-AWEZNQCLSA-N 301.814 3.205 10 10 DGCE COc1ccc(N2CC[C@H](OCc3ccccc3)C2)c(C=O)c1 2211293142 MLINCHCAFDLDQN-SFHVURJKSA-N 311.381 3.303 10 10 DGCE CN[C@@H]1CCc2cc(N3CC(SC(F)(F)F)C3)ccc21 2237484392 KEZOAKWQNHVGDC-CYBMUJFWSA-N 302.365 3.335 10 10 DGCE CCOC(=O)CCSc1ncc(CN[C@@H](C)CC)s1 2266605713 PPRIHHQKFZRXAO-JTQLQIEISA-N 302.465 3.077 10 10 DGCE Cc1cc(Br)cnc1C(=O)N1CCC[C@@H]1CN=[N+]=[N-] 2269731687 HEIPBGFDHUVGQJ-SNVBAGLBSA-N 324.182 3.067 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)N(Cc1cccs1)C1CC1 2307982237 UXHHKKUICUKWEM-UHFFFAOYSA-N 315.394 3.364 10 10 DGCE Cc1ccc(S(=O)(=O)Nc2ccc(O)c3cccnc23)cc1 15973918 BPLZTQSEXUEMKX-UHFFFAOYSA-N 314.366 3.050 10 10 DGCE COc1ccc(CN[C@H](C)c2ccc(-n3cncn3)cc2)cc1C 29656430 ZMBZCGQNERNPIM-OAHLLOKOSA-N 322.412 3.435 10 10 DGCE CC(C)[C@@H](C(=O)Nc1ccc(N)cc1)N1[C@@H](C)CCC[C@H]1C 62461095 SXRWLWMSZUXRFJ-VBQJREDUSA-N 303.450 3.495 10 10 DGCE CCC1(CC)CN(C[C@H]2CCCNC2)c2ccc(OC)cc2N1 75280906 YPAQEJYKTVRCBL-HNNXBMFYSA-N 317.477 3.486 10 10 DGCE CCc1ccc([C@H]2COCCN2Cc2ccc(OC)cc2O)o1 93459528 ABXRSCAGFNYJOF-MRXNPFEDSA-N 317.385 3.130 10 10 DGCE C[C@H]1CN2CCC[C@@H]2CN1c1ccc(OC(F)(F)F)cc1 94447534 SEQTZRUVUJUOGO-WCQYABFASA-N 300.324 3.258 10 10 DGCE CC(=O)CCC(C)(C)C(=O)NCc1ccc2c(c1)CCCN2C 131667449 BKHYJXLEWUZXAE-UHFFFAOYSA-N 316.445 3.081 10 10 DGCE CN(C)[C@H]1CCN(Cc2c(O)ccc3oc4c(c23)CCCC4)C1 170842935 FSONDRLSPITNRV-ZDUSSCGKSA-N 314.429 3.153 10 10 DGCE CCS[C@@H]1CC[C@@H](N(C)Cc2cc([N+](=O)[O-])ccc2O)C1 173870712 CTKPLPZKLHPUHW-TZMCWYRMSA-N 310.419 3.406 10 10 DGCE COC(=O)[C@@H](C)CN(Cc1ccccc1)Cc1ccccc1O 179557641 SXEVPSWQUWZKML-HNNXBMFYSA-N 313.397 3.204 10 10 DGCE Nc1ccc(CCNC(=O)[C@H]2CCCO[C@@H]2c2ccccc2)cc1 237946142 DSXAJIKCWXVDSJ-RBUKOAKNSA-N 324.424 3.095 10 10 DGCE CC[C@H](NC1CCC(NC(C)=O)CC1)c1ccc(C)cc1O 280026639 HTKSMLARWODEMM-DQPZFDDXSA-N 304.434 3.189 10 10 DGCE C[C@@H](CN(C)Cc1ccccc1)N[C@H]1CCc2cccc(O)c21 309696840 DSSPEYWAPNZCCC-YJBOKZPZSA-N 310.441 3.490 10 10 DGCE C[C@@H](N)c1ccc(N2CCCN(Cc3ccccc3)CC2)cc1 323573649 XCPXFNHRKDXDBX-QGZVFWFLSA-N 309.457 3.419 10 10 DGCE COc1ccc(O)c(CN[C@H](c2ccccc2)[C@H]2CCOC2)c1 362043882 YBJNKAWSPRCFAN-HNAYVOBHSA-N 313.397 3.268 10 10 DGCE CC1(C)C[C@H](C(=O)NCc2cc(Cl)ccc2O)C(C)(C)O1 529511634 KAFFHUFNKFBQDV-GFCCVEGCSA-N 311.809 3.256 10 10 DGCE C[C@@]12CN(Cc3ccccc3)C[C@H]1CN(c1ccc(CO)cc1)C2 702068573 ZONBZEUGKGGLNT-FPOVZHCZSA-N 322.452 3.137 10 10 DGCE Oc1c(F)cc(Br)cc1CN1CC[C@H](C(F)F)C1 715817769 JJGLKTWIBNWWDA-ZETCQYMHSA-N 324.140 3.381 10 10 DGCE C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@@H]1CC(=O)O 722659285 BDPSQXNBVVIVRF-IUCAKERBSA-N 318.200 3.242 10 10 DGCE COc1cccc(CNCCc2ccc3ccccc3n2)c1O 725850114 KRYBDWMTCNKNJO-UHFFFAOYSA-N 308.381 3.281 10 10 DGCE O=C(Cc1cccc(O)c1)NCc1ccc(N2CCCCC2)cc1 725891414 CDPSNMPDMJBVDN-UHFFFAOYSA-N 324.424 3.241 10 10 DGCE CC(C)[C@H]1CCN(C(=O)NCCCSc2nccs2)C1 759584771 DBNGSDVLYOQINU-LBPRGKRZSA-N 313.492 3.313 10 10 DGCE CC(C)[C@H](NCc1ccc(N2CCOCC2)cc1)C(F)(F)F 786840328 ILITZJGDLCICBU-HNNXBMFYSA-N 316.367 3.200 10 10 DGCE COc1cc(Br)cc(CN[C@@H]2CC[C@H]2C)c1O 796525192 BRZJMUSOTDHQEM-LDYMZIIASA-N 300.196 3.051 10 10 DGCE COc1cc(F)c(F)cc1NC(=O)N(C)Cc1ccccc1O 810272030 DVVZHKNOMKZGML-UHFFFAOYSA-N 322.311 3.343 10 10 DGCE CCn1c([C@H]2CCCS2)nnc1N(C)Cc1ccccc1O 818198152 NSKJZAZKJNJVAR-CQSZACIVSA-N 318.446 3.208 10 10 DGCE Cc1cc(O)c(CNC[C@@](C)(O)c2ccsc2)c(Cl)c1 840898773 GDESGTOZKFLBHW-OAHLLOKOSA-N 311.834 3.413 10 10 DGCE CC1(C)[C@H]2CCCN(C(=O)/C=C\c3ccc(O)c(O)c3)[C@H]1C2 846565861 ZAYVEHZPTBJKAR-KTTMOXOYSA-N 301.386 3.148 10 10 DGCE Cc1cc(O)c(CN[C@@H](C)[C@@H]2C[C@H](C(=O)O)C2(C)C)cc1C 848640332 QBUYKKXGTPCWCK-AEGPPILISA-N 305.418 3.234 10 10 DGCE CCc1cccc(CN[C@@H]2CCN(C)[C@@H]2c2ccccc2)c1O 848898982 BMEOGAMQCPHCFG-RTBURBONSA-N 310.441 3.490 10 10 DGCE Cc1cc(CNCc2ccc(N3CCC(O)CC3)cc2)cs1 850406726 RHCFALUJFBTJQV-UHFFFAOYSA-N 316.470 3.307 10 10 DGCE CC1(C)CC(NC(=O)NCc2ccc(N3CCCC3)cc2)C1 851987062 JIAFXKXPSCANJV-UHFFFAOYSA-N 301.434 3.275 10 10 DGCE Cc1cc(CN2CCO[C@@H](CC(F)(F)F)C2)ccc1N(C)C 852741072 VSYVZKZVOQKPOW-AWEZNQCLSA-N 316.367 3.214 10 10 DGCE CCC[C@H](C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)C(C)C 855234015 QOFJGKWTJOOYQX-YJBOKZPZSA-N 318.461 3.462 10 10 DGCE C/C(=C/C(=O)N1C[C@@H](C)Cc2cccc(F)c21)c1cnccn1 876417827 QCNGNXRJNYEVNH-VWLVURMCSA-N 311.360 3.244 10 10 DGCE CC[C@H](CC(F)(F)F)NC(=O)NCc1c(O)cccc1F 921973636 QLSGAPRNOKEJOJ-MRVPVSSYSA-N 308.275 3.062 10 10 DGCE CCN(CC)c1ccc(CN[C@H]2C[C@@H]3OC(C)(C)O[C@@H]3C2)cc1 922875959 JJTPBNVQNWNXMP-XGWQRUHWSA-N 318.461 3.305 10 10 DGCE CCO/C=C1\SC(=S)N(c2ccc(F)c(F)c2)C1=O 1088730332 RXHZKVXJPROBTD-POHAHGRESA-N 301.339 3.207 10 10 DGCE CCN(Cc1occc1C)C(=O)/C=C/c1ccc(O)c(O)c1 1451629581 DFENQUWCOZTVEW-FNORWQNLSA-N 301.342 3.061 10 10 DGCE COC1CCC(C(=O)NCc2c(O)ccc3ccccc23)CC1 1456308278 INEBUKHFODKDKE-UHFFFAOYSA-N 313.397 3.367 10 10 DGCE C/C(=C\C(=O)N(C)c1cccc2cccnc12)c1cnccn1 1524324052 HUFCUVAPVZAVCX-ACCUITESSA-N 304.353 3.091 10 10 DGCE CC(C)Cc1nnc(N(C)Cc2ccccc2O)n1C1CC1 1541428872 MIPYROLMDLULQN-UHFFFAOYSA-N 300.406 3.154 10 10 DGCE Cc1cccc(-n2c(C)cc(CNC(=O)[C@H]3CCCO3)c2C)c1 1587881227 SPGQRJUYKSAZFV-GOSISDBHSA-N 312.413 3.198 10 10 DGCE COc1nnc(CN(C)c2ccc(-c3nccs3)cc2)s1 1618417212 ZWYXJVMMGZHTDI-UHFFFAOYSA-N 318.427 3.307 10 10 DGCE Cc1c(C(=O)N2Cc3cccc(O)c3C2)c(O)nc2ccccc12 1650675106 SLJGTIFZCUKFJJ-UHFFFAOYSA-N 320.348 3.110 10 10 DGCE COC(=O)c1cnc(S/C=C/c2ccc([N+](=O)[O-])o2)s1 1652002677 PLVZUGIEQYYMEX-SNAWJCMRSA-N 312.328 3.194 10 10 DGCE COC(=O)/C=C\c1ccc(N(C)[C@H](C)C2(C)CC2)c([N+](=O)[O-])c1 1655223617 GVVYHJXWBNBIOF-XYLWRLHESA-N 318.373 3.406 10 10 DGCE CC/C=C(\C)C(=O)NCC[C@@H](C)NCc1ccc(OC)c(C)c1 1690833286 BLINVRNJWDAAIJ-SNQWNFELSA-N 318.461 3.344 10 10 DGCE c1ccc(COc2ccc(N3C[C@H]4CNC[C@@H](C4)C3)cc2)cc1 1899862076 TYAKKONFGXEPGL-QZTJIDSGSA-N 308.425 3.311 10 10 DGCE OCc1ccc(N2[C@H]3CC[C@H]2CSC3)c(C(F)(F)F)c1 1914585697 HZVIFFYYVBZPQI-QWRGUYRKSA-N 303.349 3.282 10 10 DGCE CC(C)(C)OC(=O)N1CCC(=O)[C@H]1c1c(O)cccc1Cl 1951971312 ZIDHLFNZOCAHPY-ZDUSSCGKSA-N 311.765 3.297 10 10 DGCE CC(C)(C)OC(=O)NC1(c2ccc(N)cc2O)CC(F)(F)C1 1953057273 KHJXJZJHSZWGJX-UHFFFAOYSA-N 314.332 3.124 10 10 DGCE C[C@H](c1ccccc1O)N(C)Cc1cn(C)nc1Br 1968792794 SWERWQUAKOGVIJ-SNVBAGLBSA-N 324.222 3.081 10 10 DGCE NN[C@@H](COCc1ccccc1)c1ccc(N2CCCC2)cc1 1977934036 IIHWUJBFCWVVSR-IBGZPJMESA-N 311.429 3.008 10 10 DGCE CCc1nn([C@@H](c2cc(C)c(C)cc2O)C2CC2)c(N)c1C=O 2079959764 YLZNILLXQDKKGS-QGZVFWFLSA-N 313.401 3.162 10 10 DGCE C[C@@H]1CCC[C@@H]1CS(=O)(=O)Nc1ccc(O)c(Cl)c1 2093552882 MDGBUUPNVNDJLR-NXEZZACHSA-N 303.811 3.224 10 10 DGCE CN[C@H](c1ccsc1Cl)[C@H](O)c1ccc(N(C)C)cc1 2147432979 KYUCZEJHRUDYFP-ZIAGYGMSSA-N 310.850 3.462 10 10 DGCE [N-]=[N+]=NC1CCN(C(=O)c2csc(C(F)(F)F)n2)CC1 2165244180 RTLGGXHOASDNJA-UHFFFAOYSA-N 305.285 3.077 10 10 DGCE C[C@@H]1C[C@@H](N(C)c2ccc(CN)cc2C(F)(F)F)CS1 2189462227 NLLYICWBDGJAFM-MWLCHTKSSA-N 304.381 3.494 10 10 DGCE C[C@H](O)c1ccc(N2CC[C@@H](c3nncs3)C2)c(Cl)c1 2196553831 HLNUZDPPADSVRI-GXSJLCMTSA-N 309.822 3.239 10 10 DGCE COc1ccc(Br)c(CN[C@@H]2C=C(C)CC2)c1O 2220465257 ZZYMXPBLOLEXDY-JTQLQIEISA-N 312.207 3.362 10 10 DGCE Nc1cccc(Br)c1N[C@@H](C(F)F)[C@H]1CCOC1 2223203103 BJZCHIDOMHBIPK-OIBJUYFYSA-N 321.165 3.113 10 10 DGCE C[C@@H](N)c1ccc(N(C)C[C@@H](F)[C@@H]2CCOC2)cc1Cl 2238325106 XQKHKJVFVBRYGV-UEKVPHQBSA-N 300.805 3.171 10 10 DGCE C[C@@H](O)c1ccc(N2CCO[C@@H](P(C)(C)=O)C2)c(Cl)c1 2289324301 WPTYZJRNPCSSQE-YGRLFVJLSA-N 317.753 3.179 10 10 DGCE Cc1ccc(CNC[C@H]2C[C@H](F)C2)c(O)c1Br 2307479566 JVMHABFGULLBQE-HOMQSWHASA-N 302.187 3.301 10 10 DGCE Oc1cc(Cl)ccc1CNCc1ccn(C(F)(F)F)n1 2366007362 GCXOYKICXCDRLC-UHFFFAOYSA-N 305.687 3.008 10 10 DGCE CSc1ncc(CN[C@@]2(C(=O)O)CCCC23CCC3)s1 2374341502 XWDDHQVPEPFPQT-CQSZACIVSA-N 312.460 3.132 10 10 DGCE CN(C)c1ccc([C@H]2N(Cc3ccccc3)C(=O)C2(F)F)cc1 40539853 YCGIVBDWEZVBMY-MRXNPFEDSA-N 316.351 3.471 10 10 DGCE [N-]=[N+]=NCCOc1c(Br)cc(F)cc1[N+](=O)[O-] 42416163 LWALVTXAJNDUSK-UHFFFAOYSA-N 305.063 3.186 10 10 DGCE C[C@H]1CN(c2ccc([C@@H](C)N)cc2Br)C[C@@H](C)O1 61694005 POUXBMCNMNWGDM-OUAUKWLOSA-N 313.239 3.082 10 10 DGCE C[C@H](Sc1ncccc1Cl)C(=O)Nc1ccc(N)cc1 79425899 DUHOVKZMFQWZKK-VIFPVBQESA-N 307.806 3.437 10 10 DGCE COc1ccc(CNC2CC2)cc1C[S@](=O)c1cccs1 84030145 SPIMHBHRIXCZLF-OAQYLSRUSA-N 321.467 3.317 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)N(C)C[C@H]1CCCO1 102897976 XZTSUYQFAMUVSY-CQSZACIVSA-N 318.442 3.407 10 10 DGCE OC1C[C@H]2CC[C@H](C1)N2c1ccc(CNC2CC2)cc1Cl 164085626 OERDHDFECLJANQ-ZIAGYGMSSA-N 306.837 3.084 10 10 DGCE Cc1nccn1C[C@H]1CCCN1Cc1cccc(Cl)c1O 180615076 RKXUAKBHPSUWJO-CQSZACIVSA-N 305.809 3.215 10 10 DGCE Cc1ncc(/C=C\C(=O)N(C)c2ccccc2N(C)C)s1 255685179 ZGNMAWJWKZLVQN-KTKRTIGZSA-N 301.415 3.194 10 10 DGCE NCc1cc(F)c(N2CC[C@H](C(F)F)C2)cc1Br 706395783 WHTPFFZOZFFPGG-ZETCQYMHSA-N 323.156 3.138 10 10 DGCE O=C(O)[C@H](O)c1c(SC(F)(F)F)ccc2scc(O)c12 725308328 RZTZFDORQHKCOY-SECBINFHSA-N 324.301 3.337 10 10 DGCE COC(=O)c1ccc(O)c([C@H](C)NC[C@H](C)c2ccncc2)c1 756632967 GCWNCGXXWBRDFF-STQMWFEESA-N 314.385 3.028 10 10 DGCE CCN(C)c1ccc(CN2CC[C@@H](C(C)(C)C)[C@H](O)C2)cc1 773832304 OSPWOZNYJMAJKO-QZTJIDSGSA-N 304.478 3.372 10 10 DGCE OCC1(CNCc2cc(Cl)cc(F)c2O)CC2(CCC2)C1 789758330 SJCVAHZHEJYFQS-UHFFFAOYSA-N 313.800 3.217 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H]1CO[C@H](C2CC2)C1 826123987 YASBWKRFEZRXJS-FNHZYXHNSA-N 302.462 3.149 10 10 DGCE Cc1cc(N(C)C)ccc1CN[C@H](C1CC1)[C@H]1CCCCO1 848921461 BJVZOHJUKUUZBF-RTBURBONSA-N 302.462 3.498 10 10 DGCE COc1ccc(N2CC[C@H](N[C@@H](C)c3nccs3)C2)cc1 850489260 SFYUASBAFQTKKX-STQMWFEESA-N 303.431 3.081 10 10 DGCE Cc1cc(CN2CC[C@@H]3COC[C@H]3C2)c(O)c(C(C)(C)C)c1 853585946 LRHYDHAUIPULFS-GDBMZVCRSA-N 303.446 3.466 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)CC(C)C)C2)cc1 855228315 ZMWYXONZXRFUHG-HUUCEWRRSA-N 304.434 3.072 10 10 DGCE C[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)[C@@H](C)[C@@H]1C 897989701 PORIVGVXTVYRMX-BBBLOLIVSA-N 305.399 3.429 10 10 DGCE Cc1ccc(C(=O)Nc2n[nH]cc2-c2ccccc2)c(O)c1O 1158677281 UFMDHDSXYUBHEK-UHFFFAOYSA-N 309.325 3.049 10 10 DGCE O=C(NCc1ccc(O)cc1O)c1cc2sccc2s1 1162278316 HDOCNSXLKWTNSC-UHFFFAOYSA-N 305.380 3.304 10 10 DGCE O=[N+]([O-])c1ccc(NCc2cc(O)ccc2O)c2ccncc12 1164046846 RMLZFKPLODFRFC-UHFFFAOYSA-N 311.297 3.166 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN2C(C)C)cc1 1354540338 CERRPDZUFKLFTR-SFHVURJKSA-N 317.477 3.022 10 10 DGCE O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NC1CSC1 1458626647 SRCWHZCOPOFETK-UHFFFAOYSA-N 314.366 3.353 10 10 DGCE C[C@@H](NC(=O)c1coc(Br)c1)c1ccccc1O 1557967200 WZIKIQNQCMGZOV-MRVPVSSYSA-N 310.147 3.239 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)C1CC2(CSC2)C1 1597742883 RHYKGWFBBNYCHI-UHFFFAOYSA-N 313.422 3.305 10 10 DGCE Cc1ccc(C(=O)NC2CCC(C3CCC3)CC2)c(O)c1O 1633356389 URRPJHKPPAGWEL-UHFFFAOYSA-N 303.402 3.495 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2C[C@H]1CCC2(CCC2)CO1 1654011193 KGCLIUBCOAKIDU-MRXNPFEDSA-N 316.445 3.301 10 10 DGCE CC[C@@H](C)C(=O)NCC1CC(NCc2ccc(OC)c(C)c2)C1 1689388203 PTHBXSZXTHUDHU-NVPAJSRCSA-N 318.461 3.034 10 10 DGCE C[C@H](NS(=O)(=O)c1ccsc1Cl)c1ccccc1O 1877586717 BVKPGCCOPFVKKZ-QMMMGPOBSA-N 317.819 3.147 10 10 DGCE Cc1ccc(O)c([C@H](C)NOCCCNC(=O)OC(C)(C)C)c1 1937012726 QTJZDGNQCGHTAO-ZDUSSCGKSA-N 324.421 3.198 10 10 DGCE CC(C)[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)c1cc(N)ccc1O 1953007225 CKZGUSWLPBNVRP-GUYCJALGSA-N 306.406 3.370 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H](COc2ccc(N)cc2)C2(CC2)C1 1992425934 QZUMCXSAXJDIBD-ZDUSSCGKSA-N 318.417 3.295 10 10 DGCE CCN[C@H](c1ncc(Br)s1)c1ccccc1O 2000377003 RUAZODJTWWKYOA-NSHDSACASA-N 313.220 3.310 10 10 DGCE CCN(c1ccc(CN)c(Br)c1)[C@@H]1CCSC1 2003839466 GHEVUUPGOUFDDJ-GFCCVEGCSA-N 315.280 3.240 10 10 DGCE Cc1cc(O)ccc1NS(=O)(=O)c1ccsc1Cl 2032679103 GYHRDNHBRJPYPN-UHFFFAOYSA-N 303.792 3.216 10 10 DGCE CNCc1ccc(N2C[C@H]3CC[C@H](C3)C2)c(Br)c1 2035712146 BGVDYIUCMLPGCI-BETUJISGSA-N 309.251 3.405 10 10 DGCE CC[C@]12C[C@@H]1CN(c1ccc(CNC)c(Br)c1)C2 2048615183 XGKCDMHLNXUYOR-IUODEOHRSA-N 309.251 3.405 10 10 DGCE CC[C@@H](c1cc(Br)ccc1O)N(C)[C@@H](C)CNC 2049147124 CDDYXVLTXRNOAP-GWCFXTLKSA-N 315.255 3.146 10 10 DGCE Nc1cccc(Br)c1N[C@H]1CCC[C@@]23C[C@@H](CO2)[C@@H]13 2088065111 DOUALGCNNYSPGF-STAGSXQKSA-N 323.234 3.401 10 10 DGCE Cc1cnn(C)c1[C@H](C)NCc1cccc(Br)c1O 2094118234 PMBRIZIHFQEIHY-JTQLQIEISA-N 324.222 3.047 10 10 DGCE CC[C@@H]1SCCS[C@@H]1[C@H](N)c1ccc2c(c1)CCN2C 2163061740 HXJGRPRLJGZJQF-XHSDSOJGSA-N 308.516 3.306 10 10 DGCE CN[C@H](c1ccc(N(C)C)cc1)c1nn(C)c(Cl)c1Cl 2163072966 DUTWZUWMSBMFII-GFCCVEGCSA-N 313.232 3.102 10 10 DGCE CCCNCc1ccc(N2CCSCC(F)(F)C2)cc1 2193336187 YSDXVHWFTKZGKY-UHFFFAOYSA-N 300.418 3.375 10 10 DGCE NCc1ccc(N2CCC[C@@H](OCC(F)F)C2)c(Cl)c1 2279239289 HYWJBZAWTZUCJK-LLVKDONJSA-N 304.768 3.049 10 10 DGCE COc1ccnc(Sc2nccs2)c1CNCC(C)C 2281103547 RWSYUIYFPFJMBN-UHFFFAOYSA-N 309.460 3.444 10 10 DGCE CSc1ncc(CNc2ncc(C(F)(F)F)cc2N)s1 2284699936 QLLBBEFGTKJUAE-UHFFFAOYSA-N 320.365 3.473 10 10 DGCE CCOc1ccc(C=C2SC(=S)N(C)C2=O)c(OCC)c1 2294732775 NTFMRGVELQQDFQ-UHFFFAOYSA-N 323.439 3.315 10 10 DGCE Cc1scc([C@H](NN)c2ccccc2O)c1Br 2303658203 GHFHYAOCTCPLOX-GFCCVEGCSA-N 313.220 3.077 10 10 DGCE Oc1cc(Br)ccc1CN[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2F 2308607496 YRLZGSXDSFOKKR-XRRVDJEJSA-N 314.198 3.381 10 10 DGCE NCc1cc(F)c(N2CC[C@@H]3CC[C@H]2C3)cc1Br 2309412024 MTMSOTUVPXYKBL-ONGXEEELSA-N 313.214 3.426 10 10 DGCE Cc1ccc(CN2C[C@H](C)O[C@H](C)C2)c(O)c1Br 2327567850 MZTBIWIHKPGHSP-PHIMTYICSA-N 314.223 3.072 10 10 DGCE C[C@@H](Nc1ccc(C(N)=O)c(Cl)c1)c1cc(O)ccc1O 37121329 WPGLBXQVPZOHTL-MRVPVSSYSA-N 306.749 3.023 10 10 DGCE C[C@H](N)c1ccc(N2CC[C@H](N3CCCCC3)C2)c(Cl)c1 62980885 SQBVNBFXDYTOAM-ZFWWWQNUSA-N 307.869 3.424 10 10 DGCE CCCN(c1ccc(N)cc1)S(=O)(=O)c1ccc(C)cc1 63115488 XKJXWQPZFLVBRW-UHFFFAOYSA-N 304.415 3.183 10 10 DGCE Cc1ccc(-c2noc(CN(C)Cc3ccccc3O)n2)cc1 109771895 UIOVROLXRNFNHM-UHFFFAOYSA-N 309.369 3.383 10 10 DGCE CN[C@H]1C(=O)Nc2cc(N(C)Cc3cccs3)c(Cl)cc21 118705336 JWWYRFOUZPQNSP-CQSZACIVSA-N 321.833 3.251 10 10 DGCE Cc1noc([C@H](N[C@H](C)c2ccc(N(C)C)cc2)C(C)C)n1 167967126 HNJQVNIDPZSMCI-MLGOLLRUSA-N 302.422 3.492 10 10 DGCE Cc1nc(C(=O)NCc2ccc3c(c2)CCCN3C)c(C)s1 179274618 DDDAPTCUSFJBPJ-UHFFFAOYSA-N 315.442 3.072 10 10 DGCE CCOC(=O)C[C@@H](C)N(C)Cc1c(O)ccc2ccccc12 183184340 LRZUTVAKOUVQOP-CYBMUJFWSA-N 301.386 3.319 10 10 DGCE CCc1ccc2c(c1)CC(=O)N2CCCOc1ccc(N)cc1 213220007 VMHYHILHWXMCIE-UHFFFAOYSA-N 310.397 3.189 10 10 DGCE CCCN(CCNCc1cccc(C)c1O)C(=O)OC(C)(C)C 224934315 JQONLBBDTWCMIV-UHFFFAOYSA-N 322.449 3.437 10 10 DGCE C[C@H]1CN(Cc2ccccc2O)C[C@@H](c2ccc(F)cc2)O1 245613244 OQWSDWPCDTWDQZ-UGSOOPFHSA-N 301.361 3.493 10 10 DGCE CCOc1ccc2nc(N3C(=O)CSC3=S)sc2c1 248376450 COZUHSAPEGVMBP-UHFFFAOYSA-N 310.425 3.060 10 10 DGCE CC[C@H](N[C@H](C)c1cc2c(cc1O)CCCC2)[C@H](O)C(F)F 296425266 LPLQVVSZJSRZRM-OOVXXXAESA-N 313.388 3.326 10 10 DGCE C[C@H](N[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C)c1ccccc1O 300217225 JDFIMCFMLJBJOD-NWANDNLSSA-N 320.433 3.489 10 10 DGCE c1ccc(COc2ccc(N3CCN[C@H](C4CC4)C3)cc2)cc1 309822362 PXLKMNLKRYKAIB-FQEVSTJZSA-N 308.425 3.454 10 10 DGCE C[C@H](N[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c1ccccc1O 381377011 OGUCVNHWRMXANR-UPJWGTAASA-N 308.422 3.345 10 10 DGCE OCc1ccc(N2CCC(CF)CC2)c(Br)c1 689420990 FKAASKKSNARRPF-UHFFFAOYSA-N 302.187 3.127 10 10 DGCE C[C@H](c1cc(Br)ccc1O)N1C[C@H](F)[C@@H](F)C1 714558854 QLVIMZVOFUAEKN-GGVZMXCHSA-N 306.150 3.208 10 10 DGCE Cc1ccc(C)c(CN(C)C(=O)/C=C\c2ccc(O)c(O)c2)c1 760547226 CXEBYHQSRUMGAD-CLFYSBASSA-N 311.381 3.386 10 10 DGCE CCOc1ccc(O)c(CN2CCN(C)CC23CCCCC3)c1 769547508 BUIGIWQCNJNWPE-UHFFFAOYSA-N 318.461 3.241 10 10 DGCE Cc1cc(NCc2cc(Cl)ccc2O)cc(OCCO)c1 775035151 VQDUDPJUGAEJIZ-UHFFFAOYSA-N 307.777 3.337 10 10 DGCE Cc1cc(C)c([N+](=O)[O-])c(N(C)Cc2ccc(N(C)C)cc2)n1 781658984 GKLSSKBBOZOBOF-UHFFFAOYSA-N 314.389 3.309 10 10 DGCE Cc1cccc(C[C@H](CO)NCc2cc(Cl)cc(C)c2O)c1 786579381 RDUDQAHBUKDYNU-QGZVFWFLSA-N 319.832 3.356 10 10 DGCE OCCC1(NCc2c(O)ccc(Cl)c2F)CCCCC1 790972011 BKOWMHJCECIVLM-UHFFFAOYSA-N 301.789 3.360 10 10 DGCE CC(C)[C@H]1CC[C@@H]1NCc1ccc(N2CCC(CO)CC2)cc1 796702978 OIKDZPVHOHWBCL-UXHICEINSA-N 316.489 3.420 10 10 DGCE CC[C@@H](NCc1cnn(C)n1)c1ccc(Cl)c(Cl)c1O 806168660 WGZZNSZRCCSULR-LLVKDONJSA-N 315.204 3.068 10 10 DGCE COC(=O)c1ccc(CNCc2cccc(Cl)c2O)cc1 809732427 DFBMVSFXDSDZSR-UHFFFAOYSA-N 305.761 3.122 10 10 DGCE CC1(C)CN(Cc2cc3c(cc2O)CCC3)[C@@H]1[C@@H]1CCCO1 811778269 LDVMLJAVNVRNMM-ZWKOTPCHSA-N 301.430 3.270 10 10 DGCE Oc1ccc2c(c1CNc1nccnc1OC(F)F)CCCC2 811808908 UFLBCOHBLNOBKJ-UHFFFAOYSA-N 321.327 3.275 10 10 DGCE C[C@@H](N[C@H]1CCn2ccnc21)c1cc(Br)ccc1O 834831394 JJIHYLOAUDEJNQ-SKDRFNHKSA-N 322.206 3.147 10 10 DGCE Oc1cc2c(cc1CN1CCC[C@@H]1[C@@H]1CCC[C@H]1O)CCC2 840117935 CKBSOATVDBTAGZ-RCCFBDPRSA-N 301.430 3.006 10 10 DGCE Cc1cc(O)c(CN[C@H](C2CC2)[C@H](CO)C2CC2)c(Cl)c1 840951150 TXLOTSJGEOLQKX-RHSMWYFYSA-N 309.837 3.241 10 10 DGCE C[C@H](N[C@H]1C[C@H](O)C12CCC2)c1cc2c(cc1O)CCCC2 850547769 WAFZDMJSCDSHDO-IGNZVWTISA-N 301.430 3.225 10 10 DGCE CCCCN(CCOC1CCOCC1)Cc1ccccc1O 859296106 BCJLNTYOWSBPAO-UHFFFAOYSA-N 307.434 3.190 10 10 DGCE CCN1C(=O)/C(=C\c2cn(C)nc2C2CCCC2)SC1=S 901415359 IKZFYBXSYRCOPU-XYOKQWHBSA-N 321.471 3.299 10 10 DGCE CC[C@H](NC[C@@]1(OC(C)C)CCOC1)c1ccc(C)cc1O 903357573 NUDONISHGNSPBC-WMZOPIPTSA-N 307.434 3.325 10 10 DGCE C[C@H](N[C@H]1C[C@@H]2OC(C)(C)O[C@@H]2C1)c1cc(Cl)ccc1O 927059452 COSMJDWCSPHAFN-LHAJWOIZSA-N 311.809 3.379 10 10 DGCE CCOc1cccc(CCC(=O)NCc2c(O)cccc2F)c1 928708373 GMEAXSIRKXBUQG-UHFFFAOYSA-N 317.360 3.179 10 10 DGCE CCCC(=O)N[C@@H]1CCC[C@@H]1CNCc1ccc(OC)c(C)c1 1268266665 BRYCYXOHJUDXBK-IAGOWNOFSA-N 318.461 3.178 10 10 DGCE CC[C@H](CNC(=O)C(C)(C)C)NCc1ccc(OC)c(C)c1 1269497477 GPSIHXUYSSDTCT-OAHLLOKOSA-N 306.450 3.034 10 10 DGCE O=C1CCc2nc(NCc3c(O)ccc4c3CCCC4)ccc21 1323996085 GEDALQMFGRTPCV-UHFFFAOYSA-N 308.381 3.407 10 10 DGCE CC[C@H](C)CCC(=O)N(C)CCN(C)c1ccc(OC)cc1 1531375191 RQGXTLYOTKXIDK-HNNXBMFYSA-N 306.450 3.416 10 10 DGCE CCC[C@H](C)C(=O)N(C)[C@@H](C)CNCc1ccc(OC)c(C)c1 1568263245 VNUFFXZUHIQQCI-HOCLYGCPSA-N 320.477 3.376 10 10 DGCE C[C@@H](c1cccnc1)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 1626155705 WYNCDVXDWGIXAN-NSHDSACASA-N 311.345 3.077 10 10 DGCE Cc1ccc(-n2cc(C)cn2)c(NC(=O)c2cccc(O)c2O)c1 1632078351 CZBCLHDHYFXWJY-UHFFFAOYSA-N 323.352 3.153 10 10 DGCE C[C@H](NC(=O)Cc1cccc2cccnc12)c1ccccc1O 1632249788 BSOYUHZKWRWFSC-ZDUSSCGKSA-N 306.365 3.360 10 10 DGCE C[C@H](NC(=O)c1cnn(Cc2ccccc2)c1)c1ccccc1O 1635799203 UDYFYAJBBOESTR-AWEZNQCLSA-N 321.380 3.128 10 10 DGCE C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1O 1643742256 WCCIXLNFQYRAAK-VIFPVBQESA-N 320.732 3.445 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2cc3ccccc3cc2O)c1 1645800595 LSTFFDUWHGDESM-UHFFFAOYSA-N 307.349 3.489 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H](C)C1CCC1 1671294996 ZPTLQQIUXFPGBF-GJZGRUSLSA-N 317.477 3.480 10 10 DGCE Cc1ccc(CNC(=O)NCc2cc(Cl)ccc2O)cc1F 1684326016 DIAWFEDOBXBTTG-UHFFFAOYSA-N 322.767 3.493 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)Cc2ccccc2Br)C1 1912157861 TYWZCFRBSLNUEA-JTQLQIEISA-N 323.194 3.150 10 10 DGCE CN[C@H](CCCCNC(=O)OC(C)(C)C)c1ccccc1O 1928466703 FKWAUVWSULODCT-CQSZACIVSA-N 308.422 3.348 10 10 DGCE CC[C@H](C[C@H](NC)c1ccccc1O)NC(=O)OC(C)(C)C 1928469046 CZHFOTSQGSIYKQ-OCCSQVGLSA-N 308.422 3.346 10 10 DGCE C[C@H](N)c1ccc(N(C)C2CSC2)c(Br)c1 1936308978 TUHYCVLDSKICJQ-QMMMGPOBSA-N 301.253 3.020 10 10 DGCE Cc1cccc(O)c1CNCc1ccc(Br)cn1 1963064154 NUBFFFQZOWLLDI-UHFFFAOYSA-N 307.191 3.148 10 10 DGCE C[C@H](N[C@H]1CCCC2(CC1)OCCO2)c1cc(F)ccc1O 1967526355 WYRBRTHVLWDHNR-JSGCOSHPSA-N 309.381 3.258 10 10 DGCE CN(C)c1ccc([C@@H](N)C[C@@H]2CCN2C(=O)OC(C)(C)C)cc1 1979163779 XFCSYKCFSZQVPT-HOTGVXAUSA-N 319.449 3.152 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](NCc2ccc(F)cc2O)C1 1994524703 NPPPNNVWXYVLCB-KGLIPLIRSA-N 324.396 3.067 10 10 DGCE C[C@@H](F)[C@@H]1CCCN1Cc1cc(Br)ccc1O 2010592281 VIZORDFXQLQXRW-SKDRFNHKSA-N 302.187 3.477 10 10 DGCE COc1ccccc1C=C1SC(N2CCCCC2)=NC1=O 2053467655 OVANXGDAIRYADW-UHFFFAOYSA-N 302.399 3.151 10 10 DGCE CNCc1ccc(N2C[C@@H]3CC=CC[C@@H]32)c(Br)c1 2057018878 KBSQAERVEAGSNI-JSGCOSHPSA-N 307.235 3.323 10 10 DGCE COC(=O)c1cc(C(C)C)nn1[C@H](C)c1c(O)cccc1OC 2069954880 VQRWCITWQOMZFH-LLVKDONJSA-N 318.373 3.117 10 10 DGCE Cc1ccc(O)c(Cn2nc(C)cc2C(=O)OC(C)(C)C)c1 2070003454 TUGSNEIUTKKCIO-UHFFFAOYSA-N 302.374 3.209 10 10 DGCE COc1ccc(Cn2nc(C3CC3)c(C(C)(C)C)c2N)c(O)c1 2079743563 ISESSYTWFHQLHJ-UHFFFAOYSA-N 315.417 3.403 10 10 DGCE CCN1CCc2cc([C@H](N)c3cc(Br)co3)ccc21 2112419596 IMZJGDZRMZXPPZ-HNNXBMFYSA-N 321.218 3.473 10 10 DGCE Cc1ccc(Br)c(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])n1 2112725140 RLQBKUYLCWWXDJ-SECBINFHSA-N 324.182 3.067 10 10 DGCE Cc1ccc(CNCc2nccc(C)c2Br)c(O)c1 2139762490 RZUPMEMSNAANOX-UHFFFAOYSA-N 321.218 3.456 10 10 DGCE CN(C[C@@H]1C[C@@]12CC2(F)F)c1cc(Cl)c(CN)cc1F 2177389464 UPFADYKNFLPZFA-TVQRCGJNSA-N 304.743 3.419 10 10 DGCE O[C@H]1CCc2cc(N3CCS[C@@H](C(F)(F)F)C3)ccc21 2184738398 SLCOCOLCDCJSEO-QWHCGFSZSA-N 303.349 3.150 10 10 DGCE CCOC(=O)[C@@](CSc1nccs1)(C[C@@H](C)CC)NC 2207913228 FJCKRPYJQHFKQD-FZMZJTMJSA-N 316.492 3.193 10 10 DGCE COCc1ccc(C=C2SC(N3CCCCC3)=NC2=O)cc1 2297663884 GDJZJYJSGSUVEZ-UHFFFAOYSA-N 316.426 3.289 10 10 DGCE Cc1cc(Br)ccc1C=C1SC(=S)NC1=O 2298889881 YPEZFHICICIEMV-UHFFFAOYSA-N 314.229 3.246 10 10 DGCE Cc1ccc(CN[C@H]2CS[C@@H](C)C2)c(O)c1Br 2307477294 KZMHFKCYFHHPRI-GXSJLCMTSA-N 316.264 3.447 10 10 DGCE CCS[C@@H]1CCC[C@H](NC(=O)C=Cc2ccc(O)c(O)c2)C1 2307989940 NKLLVTWWYUKHRX-UONOGXRCSA-N 321.442 3.292 10 10 DGCE Oc1c(Br)cccc1CN1CC[C@@](F)(C(F)F)C1 2315877510 IMEKHSNYWXOWKA-LBPRGKRZSA-N 324.140 3.334 10 10 DGCE Cc1ccc(CN(C)C(=O)[C@H]2C=CCC2)c(O)c1Br 2352932164 IXEGPMNXPLXGEJ-NSHDSACASA-N 324.218 3.388 10 10 DGCE COc1nccc(N(C)C)c1NCc1cc(Cl)ccc1O 36941849 WYKPWPFMNNHYSH-UHFFFAOYSA-N 307.781 3.127 10 10 DGCE Cc1cc(C)c(N2CC[C@H](NCc3ccccc3O)C2=O)c(C)c1 188942599 CWDPYCWIYVIJNF-KRWDZBQOSA-N 324.424 3.213 10 10 DGCE C[C@@H](CCSC[C@@H](O)COc1ccc(N)cc1)C(F)F 2364126588 HAOYFJQMWBIDPT-JQWIXIFHSA-N 305.390 3.033 10 10 DGCE Nc1ccc(NC(=O)CC[S@@](=O)c2ccccc2Cl)cc1 40961600 YSSNNFFDOJKNIF-NRFANRHFSA-N 322.817 3.059 10 10 DGCE CC(C)N(CCCO)c1ccc([C@@H](C)N)c(Br)c1 232669369 FGBDPJUYOXMKRF-LLVKDONJSA-N 315.255 3.066 10 10 DGCE OCCCN(Cc1c(O)ccc2ccccc12)CC(F)(F)F 93043555 LBLPNEDNQQGVCM-UHFFFAOYSA-N 313.319 3.292 10 10 DGCE CC[C@H]1OCC[C@H]1CNCc1cc(Br)ccc1O 234234826 NGFBXHUNKSGELH-IINYFYTJSA-N 314.223 3.059 10 10 DGCE CC1CCN(c2ccc(CN[C@@H]3CCN(C)[C@@H](C)C3)cc2)CC1 248125086 NUGQZINKDMDWMR-PKOBYXMFSA-N 315.505 3.495 10 10 DGCE CC(C)Oc1ccccc1NC(=O)Cc1ccc(O)c(O)c1 244399960 YJSSDKHLOMLURD-UHFFFAOYSA-N 301.342 3.066 10 10 DGCE CC(C)Oc1cccc(/C=C\C(=O)NCCc2ccc(N)cc2)c1 254925147 BLNCKMDVAGODIE-FLIBITNWSA-N 324.424 3.428 10 10 DGCE CO[C@H](C)[C@@H](C)N[C@H](C)c1ccc(Br)cc1O 290241663 SQDHVNMUEZVCEK-OPRDCNLKSA-N 302.212 3.229 10 10 DGCE C[C@@H](NC/C=C\CNC(=O)OC(C)(C)C)c1ccc(F)cc1O 390788021 ZZHVEQKMGFEFSJ-FOQNGQEVSA-N 324.396 3.263 10 10 DGCE CCOC(=O)C1CCC(Sc2ncc([N+](=O)[O-])s2)CC1 295072519 WQTOFAYBFMJPAX-UHFFFAOYSA-N 316.404 3.265 10 10 DGCE COc1cc(CN(C)c2ccc([C@H](C)N)c(Cl)c2)sn1 722396725 SNVUAGDBDYHEHF-VIFPVBQESA-N 311.838 3.461 10 10 DGCE O=C(NCc1cc(Br)ccc1O)C1CCCCC1 804737967 XMEVIYXGZYQZOE-UHFFFAOYSA-N 312.207 3.351 10 10 DGCE CCN1CCc2cc([C@H](NN)c3ccc(Cl)s3)ccc21 2163130086 DUQLEHOVFVOCIB-HNNXBMFYSA-N 307.850 3.337 10 10 DGCE COC(=O)Cc1cccc2c(O)c(Br)sc12 396274165 VLKGPEMSJXICQF-UHFFFAOYSA-N 301.161 3.085 10 10 DGCE C[C@@H](O)c1ccc(N(C)Cc2cnn(C)c2Cl)c(Cl)c1 2166119305 YHXZPFWVGLXYDJ-SECBINFHSA-N 314.216 3.417 10 10 DGCE CCOc1ccc(O)c(CN2CCC(c3ccon3)CC2)c1 827628922 BDWCWZYLCBGRIV-UHFFFAOYSA-N 302.374 3.159 10 10 DGCE C[C@H]1c2ccsc2CCN1C(=O)NCCc1ccc(N)cc1 841961581 FIXYLXHLAABTJK-LBPRGKRZSA-N 315.442 3.202 10 10 DGCE CC[C@H](N[C@H](CO)[C@H]1CCC[C@H](OC)C1)c1ccc(C)cc1O 850501811 POIIIHFHXCFGCK-UOVPBQLFSA-N 321.461 3.307 10 10 DGCE C[C@H](CNC(=O)NCc1c(O)cccc1F)Cc1cccs1 920444137 WLLSJIMOKFFLRF-NSHDSACASA-N 322.405 3.271 10 10 DGCE O=C(C=C1CCNCC1)N1CC2(CCCC2)c2c(F)cccc21 852828868 UCGFJMCZJJSYCV-UHFFFAOYSA-N 314.404 3.294 10 10 DGCE C[C@H](N[C@H]1C[C@@H](C)O[C@H]1C)c1cc(Br)ccc1O 866443409 LXGADMPCTDXAMP-QYTUQVAYSA-N 314.223 3.371 10 10 DGCE O=C(C[C@@H]1C[C@H]1C1CC1)NCc1cccc(Br)c1O 879773921 BIWQGUZBPKGMMO-RYUDHWBXSA-N 324.218 3.207 10 10 DGCE Cc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CC[C@@H](F)C1 1304794494 LCPJNBVEAZWVGQ-DZGCQCFKSA-N 318.396 3.067 10 10 DGCE CC(C)(C)OC(=O)NCC12CC(CN1CCCCN=[N+]=[N-])C2 1962288663 ZRQQPNVVUIFCMS-UHFFFAOYSA-N 309.414 3.066 10 10 DGCE OCc1ccccc1NCc1ccc(Br)cc1O 691453535 IKSMIOFBSVWLRL-UHFFFAOYSA-N 308.175 3.259 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CC[C@@]2(CCCNC2)C1 709993521 ZPMZWPLUFSSHPE-OAHLLOKOSA-N 315.244 3.275 10 10 DGCE CNCc1ccc(N(C)CC2CSC2)cc1C(F)(F)F 718222683 DPEBOYBSVQSBLL-UHFFFAOYSA-N 304.381 3.224 10 10 DGCE CC[C@H](NCc1cn(C)nc1Br)c1ccccc1O 720682582 ZSHKEPFDSALQKX-LBPRGKRZSA-N 324.222 3.129 10 10 DGCE CCCN[C@@]1(C(=O)OCC)CC[C@@H](Sc2nccs2)C1 93851752 JHKRTKSAQHJXCB-RISCZKNCSA-N 314.476 3.089 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N[C@H](CC1CC1)c1ccccc1 1465221066 RTSVISBXTDZUER-MRXNPFEDSA-N 311.381 3.298 10 10 DGCE CCn1ccc(C(=O)Nc2c(Cl)ccc3nonc23)c1C 1539054298 PYSXDZPFGDUIBS-UHFFFAOYSA-N 304.737 3.258 10 10 DGCE Cc1nc(-c2cccnc2)c2c(Br)cn(C)c2n1 217262212 MZSVMTRPUHLXDJ-UHFFFAOYSA-N 303.163 3.101 10 10 DGCE Cc1cc(CCNC(=O)N2C[C@H]3C[C@@H]3C2)c(C)n1-c1ccccc1 1479064896 ZFZVLYHGXJECLZ-QZTJIDSGSA-N 323.440 3.298 10 10 DGCE CCCC1(C(=O)N(C)CCNCc2ccc(OC)c(C)c2)CC1 1493689735 QSHZDPOSVYYHTG-UHFFFAOYSA-N 318.461 3.132 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN(C(=O)c2ccc(Br)o2)C1 1912203964 TVNYGNZBOHNFJQ-QMMMGPOBSA-N 313.155 3.205 10 10 DGCE CO[C@@H](C(=O)NCc1cc(C)n(-c2ccccc2)c1C)C(C)C 1596481307 BHEGRPSCOJGQNL-GOSISDBHSA-N 314.429 3.381 10 10 DGCE C[C@H](Oc1cccc(Cl)c1F)C(=O)Nc1ccc(N)cc1 167089590 PEXGBWAVIYPGLO-VIFPVBQESA-N 308.740 3.467 10 10 DGCE Cc1nc([C@@H](N[C@@H](C)c2ccccc2O)c2ccccc2)n[nH]1 154166217 UXHGDYVOQICPFB-SJCJKPOMSA-N 308.385 3.259 10 10 DGCE CCNCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(OC(C)C)c1 212120290 NZFADIMENOKPTR-HUUCEWRRSA-N 306.450 3.197 10 10 DGCE Cc1nccn1[C@H](C)CNCc1cc(Br)ccc1O 2129526045 YGODLRSZKHGBGP-SNVBAGLBSA-N 324.222 3.010 10 10 DGCE CC(C)(CO)N(Cc1ccccc1)c1ccc(CN)c(F)c1 1915754093 RBHQSKKAEGTSPI-UHFFFAOYSA-N 302.393 3.062 10 10 DGCE C[C@H]1C[C@H](C(=O)O)CCN1Cc1cc(Cl)cc(Cl)c1O 235644029 MDYZZVNWTBGBTG-DTWKUNHWSA-N 318.200 3.384 10 10 DGCE C[C@@H]1[C@H](CNCc2cc(Br)ccc2O)C1(F)F 1947977375 GMLCZFVQSPVEJJ-XCBNKYQSSA-N 306.150 3.146 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CCCC12CN(CCCCN=[N+]=[N-])C2 1982248599 WTOHICYTXKSCRO-ZDUSSCGKSA-N 323.441 3.456 10 10 DGCE CN(C)c1ccc([C@H](O)[C@@H]2CCN(Cc3ccccc3)C2)cc1 1988153558 WIGSOVYXGARUPV-QUCCMNQESA-N 310.441 3.308 10 10 DGCE C[C@H](c1ccccc1O)N(C)S(=O)(=O)c1ccc(Cl)o1 2152791098 KZRSEYRSHHOZSM-SECBINFHSA-N 315.778 3.020 10 10 DGCE C[C@@H](N)c1ccc(N2CC3CC2(CF)C3)cc1Br 2030292844 SGIZJHGICKXLNM-NAUIOFCNSA-N 313.214 3.407 10 10 DGCE CC[C@@H]1CN(c2ccc(OC(F)(F)F)c(Cl)c2)CCN1 401296222 OIBYKRJTCYCVDI-SECBINFHSA-N 308.731 3.427 10 10 DGCE Oc1c(Br)cccc1CNCC[C@@H]1CC1(F)F 701935020 COSZEMQVTQILBB-SECBINFHSA-N 306.150 3.290 10 10 DGCE [N-]=[N+]=NCCCNC(=O)CCc1cccc(Br)c1 701297759 ZESPOYMERYCKDU-UHFFFAOYSA-N 311.183 3.198 10 10 DGCE CO[C@@H]1CC[C@H](C)N(Cc2cccc(Br)c2O)C1 687217325 RHTGBGQYNYEDIA-CMPLNLGQSA-N 314.223 3.154 10 10 DGCE CO[C@@H]1CCCC[C@H]1N(C)c1cc(Cl)c(CN)cc1F 2177381093 JCILDYZDJFPDNF-UKRRQHHQSA-N 300.805 3.332 10 10 DGCE CO[C@@H]1CC[C@@H]1N(C)c1ccc([C@H](C)N)cc1Br 724221017 GFMXUIWQHVDEEC-QCZZGDTMSA-N 313.239 3.082 10 10 DGCE COc1cccc(Cn2nc(C3CCCCC3)cc2N)c1O 2070160564 WHQIZRVZYMOZFD-UHFFFAOYSA-N 301.390 3.276 10 10 DGCE COc1ccc(Cn2nc(C(C)C)c(C(F)F)c2N)c(O)c1 2079837657 ZPIGAYNJNCTXNN-UHFFFAOYSA-N 311.332 3.289 10 10 DGCE CCN[C@@]1(CO)C[C@H](Sc2nccs2)CC2(CCC2)C1 2183541760 HVNKUPDAWQDDDW-DOMZBBRYSA-N 312.504 3.299 10 10 DGCE [N-]=[N+]=NC[C@H]1CCN(C(=O)c2snc(Cl)c2Cl)C1 2048318601 ZYCBTHRIWOCUDT-RXMQYKEDSA-N 306.178 3.222 10 10 DGCE COc1ccc(Br)c(CN[C@@]2(C)C=CCC2)c1O 2220462769 QPRAVNXGVZSMKO-AWEZNQCLSA-N 312.207 3.362 10 10 DGCE Oc1ccc(Cl)cc1CN[C@@H](C(F)F)C1CCOCC1 2239546387 OMEVYVGKHHJUIR-CYBMUJFWSA-N 305.752 3.196 10 10 DGCE CSc1ncc(CNCC23CC(C(F)(F)F)(CO2)C3)s1 2284631608 XRDGSZRPKPRRIM-UHFFFAOYSA-N 324.393 3.066 10 10 DGCE CCn1cnc(NCc2ccc(C)c(Br)c2O)c1 2327792712 NDSXJYPGQKZNAG-UHFFFAOYSA-N 310.195 3.292 10 10 DGCE Cc1ccc(CN2CCC(=O)C2(C)C)c(O)c1Br 2327789659 NVXUHTLOGJDNCA-UHFFFAOYSA-N 312.207 3.017 10 10 DGCE Cc1ccc(O)c(CNCCCc2nc3ccccc3n2C)c1 124405121 CFSLTUFBKVZWHX-UHFFFAOYSA-N 309.413 3.310 10 10 DGCE Nc1cc2c(cc1N(Cc1ccsc1)C1CC1)OCCO2 48953359 QAGMFFSUILGOAN-UHFFFAOYSA-N 302.399 3.271 10 10 DGCE C[C@H](c1ccccc1O)N(C)C(=O)c1cc(Cl)ccc1N 40332843 AHJFHTHSWFENDC-SNVBAGLBSA-N 304.777 3.461 10 10 DGCE O=C1/C(=C/c2cocn2)SC(=S)N1c1ccc(F)cc1 191220798 GESLKDZPGFIENQ-WZUFQYTHSA-N 306.343 3.220 10 10 DGCE COc1cccc(CN2CC(C)(C)OC3(CCCC3)C2)c1O 191226519 LCBLPDWRZGFGTR-UHFFFAOYSA-N 305.418 3.324 10 10 DGCE C[C@@H](Nc1ccc(Cl)c(C(N)=O)c1)c1cc(F)ccc1O 94617350 QNYXEIMNOZEXJI-MRVPVSSYSA-N 308.740 3.457 10 10 DGCE CCCN(c1ccc(CN)cc1)[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 248991561 NNMWSABKNLREGW-RCCFBDPRSA-N 300.446 3.319 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H]1CSc1ncc(N)s1 2241277721 QFCILAAUIFVFRE-VIFPVBQESA-N 315.464 3.217 10 10 DGCE O=C(Nc1ccc(C2CCC2)cn1)c1c(F)ccc(O)c1O 295546957 IQGQZCLZBPWYNU-UHFFFAOYSA-N 302.305 3.152 10 10 DGCE CN(C)c1ccc([C@@H](N)CN[C@@H]2CCCc3ccccc3C2)cc1 817944199 YCPSLDQOALGBIK-CTNGQTDRSA-N 323.484 3.290 10 10 DGCE CCC1(CC)CN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 814905119 ORBSUCGATXIWKR-VQHVLOKHSA-N 318.373 3.407 10 10 DGCE COc1cccc2c1N(C(=O)/C=C/c1cccnc1C)CCC2 822984977 QXWOHQRWOGENDS-ZHACJKMWSA-N 308.381 3.391 10 10 DGCE C[C@H](N[C@H]1CCN(C)[C@H]1C)c1ccc(Cl)c(Cl)c1O 903299892 CTQDKSWZJALULI-AUTRQRHGSA-N 303.233 3.442 10 10 DGCE CC[C@@H](C)CN(C)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] 732049461 XYOXAAXIOSUAMW-YPUOHESYSA-N 306.362 3.263 10 10 DGCE CC(C)C[C@H](CCO)CNC/C=C\c1ccc(N(C)C)cc1 835043638 TYANSMARVPZPGN-XFHJGTJQSA-N 304.478 3.400 10 10 DGCE CN(C)c1ccc(/C=C\CNCCC(=O)OC(C)(C)C)cc1 835040212 OEPQIGDTEPRJGI-SREVYHEPSA-N 304.434 3.087 10 10 DGCE O=C(O)/C=C/c1ccc(N2CC[C@@H](F)C2)c(Br)c1 689860938 CHJGUZYNSYEHRY-XCRNYIDWSA-N 314.154 3.095 10 10 DGCE CCC(CC)[C@H](C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855233537 IFBSXNPLTQTJNP-HOCLYGCPSA-N 318.461 3.462 10 10 DGCE C[C@@H](NC[C@@H]1Cc2ccccc2CO1)c1ccc(F)cc1O 858453388 KQJQNBLVBZPOAE-WBMJQRKESA-N 301.361 3.323 10 10 DGCE Oc1ccc2ccncc2c1CN1C[C@@]23CCCC[C@]2(COC3)C1 853623541 RJXGPYYJAANIJS-WOJBJXKFSA-N 324.424 3.333 10 10 DGCE C[C@@H](NC(=O)[C@@]1(C)C=CCC1)c1ccc(N2CCOCC2)cc1 930745220 UCNWTHDYUCEEHO-BEFAXECRSA-N 314.429 3.057 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[C@@]21[C@@H](N)c1ccccc1O 1895623150 CRJVIOYGGPGWHH-ZKRNXSKHSA-N 318.417 3.085 10 10 DGCE C[C@H]1C[C@@H](C)CN(Cc2ccc(N3CCOCC3)cc2)[C@H]1C 789587533 YOYKHIJIIGMRQA-IKGGRYGDSA-N 302.462 3.390 10 10 DGCE C[C@@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)[C@H](C)[C@@H](C)O1 783539841 DCEOFHVRXLQKBS-JHJVBQTASA-N 307.434 3.393 10 10 DGCE CC(C)[C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1 783717830 MEZBNVQWJABNDF-SFHVURJKSA-N 302.462 3.391 10 10 DGCE CCC/C=C/[C@@H](O)C(=O)N(C)Cc1ccc(N(CC)CC)cc1 1135732849 ISSLNFRYGXYAPS-QZEKMECESA-N 318.461 3.208 10 10 DGCE Oc1cc2c(cc1CN1CCOC[C@@H](C3CCC3)C1)CCC2 793747235 VYSWYXFQJHNLGN-SFHVURJKSA-N 301.430 3.129 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](Nc3ccc(N)cc3)[C@H]1C2 1959350382 BBPVXNSDRAORMB-KCPJHIHWSA-N 303.406 3.079 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1Nc1ccccc1N 1959374639 WSXHSDLHOMNBGW-GXTWGEPZSA-N 305.422 3.374 10 10 DGCE C[C@H](N)c1cnc(SCCN(C)C(=O)OC(C)(C)C)s1 1883305921 DMSXCNFTWQYHEZ-VIFPVBQESA-N 317.480 3.122 10 10 DGCE CC[C@H]1CN(Cc2ccccc2F)c2ccc(CN)cc2O1 74337799 WTLZPJFZIABHSM-HNNXBMFYSA-N 300.377 3.462 10 10 DGCE COc1ccc(N(C)CC(=O)NCCC2CCCCC2)cc1 1307906260 VLCWGEYGVBJLLI-UHFFFAOYSA-N 304.434 3.218 10 10 DGCE CCc1cccc(CNC(C)(C)CNC(=O)OC(C)(C)C)c1O 709408178 VQUXTXYNESXPTD-UHFFFAOYSA-N 322.449 3.348 10 10 DGCE CCNCc1cc(F)c(N(C)C[C@@H]2CCSC2)c(F)c1 718284992 TTXDAIKCBBXSIA-NSHDSACASA-N 300.418 3.264 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@]1(C)CC1(F)F 1352615063 KRNHMMCTAGLNKK-INIZCTEOSA-N 308.372 3.291 10 10 DGCE CCN1N=C(C(F)(F)F)/C(=C/c2cc(Cl)ccc2O)C1=O 1865666879 XHEVPQZMFKLQHW-TWGQIWQCSA-N 318.682 3.209 10 10 DGCE Cn1cnc(/C=C\C(=O)N2CCCc3ccc(Cl)c(F)c32)c1 1525618410 AFVKLSJGUFDHCI-ALCCZGGFSA-N 319.767 3.205 10 10 DGCE Cc1ccccc1-n1c(C)cc(C(=O)N[C@@H]2COC[C@@H]2C)c1C 1558473888 PONODVCLPGLTID-SUMWQHHRSA-N 312.413 3.167 10 10 DGCE Cc1cccc(C)c1OCC(=O)NCc1cc(Cl)ccc1O 1632223736 OKKJEJUEKOYMDU-UHFFFAOYSA-N 319.788 3.358 10 10 DGCE Cc1nnc(N(C)Cc2ccccc2O)n1CCC1(F)CCC1 1726357608 OBCGKTQQYXDVSJ-UHFFFAOYSA-N 318.396 3.211 10 10 DGCE C[C@@H](Oc1ccccc1)C(=O)NCc1ccc2cccnc2c1O 1638569827 NLIWUJNSNYBPLS-CYBMUJFWSA-N 322.364 3.024 10 10 DGCE CC[C@@H](CNC(=O)[C@@H]1CC1(C)C)NCc1ccc(OC)c(C)c1 1567956972 ZLPZJJCZEYDBIE-HOTGVXAUSA-N 318.461 3.034 10 10 DGCE CC(C)c1ccc(CCC(=O)NCc2cc(O)ccc2O)cc1 1633594982 CRYCBHLLXHFXSL-UHFFFAOYSA-N 313.397 3.470 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc2c(n1)CCCC2 1637447156 LIVBAXAPYQMKJR-POHAHGRESA-N 310.353 3.024 10 10 DGCE Cc1cc(C(=O)N2CCC[C@H](N=[N+]=[N-])C2)oc1Br 1912143436 GIMNCZCTRVAFEF-QMMMGPOBSA-N 313.155 3.265 10 10 DGCE CCC(CC)C(=O)N[C@H]1C[C@H](NCc2ccc(OC)c(C)c2)C1 1731438881 HCZQRBYSJWBUPY-QAQDUYKDSA-N 318.461 3.177 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1CCN2CCC[C@@H]12 217751983 QHYOYUDJKMDPJK-OLZOCXBDSA-N 301.217 3.025 10 10 DGCE O=C(NCc1c(O)cccc1F)c1sccc1C(F)F 1652298418 KMWYSMXCTCQKJL-UHFFFAOYSA-N 301.289 3.460 10 10 DGCE CC[C@@H](C)C(=O)N[C@@H](C)CCNCc1ccc(OC)c(C)c1 1699083134 YZJIYZPWOBLKGI-HIFRSBDPSA-N 306.450 3.034 10 10 DGCE CN(C)[C@@H](CCNCc1cc(Cl)ccc1O)C(F)(F)F 922751927 KJWRFJUGFZRKJP-LBPRGKRZSA-N 310.747 3.018 10 10 DGCE C[C@H](N[C@@H]1CCCC2(CC1)OCCO2)c1ccc(F)cc1O 1967520723 GSKDWUTWLHGLIJ-GXTWGEPZSA-N 309.381 3.258 10 10 DGCE COc1ccc(Br)c(CN(C)CCC(F)F)c1O 1967860173 LKMJTMMEECSIAT-UHFFFAOYSA-N 324.165 3.250 10 10 DGCE CC[C@@](C)(NC(=O)OC(C)(C)C)[C@@H](NC)c1ccccc1O 1928465191 MTYMTKXBYBWSSN-WMLDXEAASA-N 308.422 3.346 10 10 DGCE C[C@@H](CCNC(=O)OC(C)(C)C)N[C@@H](C)c1ccccc1O 1928513473 RKOMXAAYHVGAAG-STQMWFEESA-N 308.422 3.346 10 10 DGCE CNCc1ccc(N(C)[C@H]2CCSC2)c(Br)c1 234416185 BQVWIVQFCDHURZ-NSHDSACASA-N 315.280 3.110 10 10 DGCE Nc1ccc(NC(=O)N[C@@H]2CC[C@H]2OCc2ccccc2)cc1 1939573413 DWNIECFYNGPULG-IAGOWNOFSA-N 311.385 3.138 10 10 DGCE CCOc1cccc([C@@H]2CC(=O)CN2C(=O)OC(C)(C)C)c1O 1952057532 UONHQDSQCSXJIG-ZDUSSCGKSA-N 321.373 3.042 10 10 DGCE CO[C@@](C)(CCNC(=O)OC(C)(C)C)Cc1ccc(N)cc1 1952662444 FUAJBYCVJHZEBL-KRWDZBQOSA-N 308.422 3.131 10 10 DGCE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1Nc1c(N)cccc1F 1977683480 RCVOMZWCYZSJIG-SMDDNHRTSA-N 323.412 3.465 10 10 DGCE Oc1ccc(Br)cc1CN1C[C@@H](F)C[C@@H](F)C1 2011406465 SVBRAFSTQKGDRN-PHIMTYICSA-N 306.150 3.037 10 10 DGCE Oc1cccc(Br)c1CNCC[C@@H]1CC1(F)F 706880723 IJHGMAIRABEQDN-MRVPVSSYSA-N 306.150 3.290 10 10 DGCE Oc1c(F)cc(F)cc1CNCc1ccc(Br)o1 708496109 HWTXBPDZNRINCQ-UHFFFAOYSA-N 318.117 3.316 10 10 DGCE CCOC(=O)c1cnc(Sc2ccccc2[N+](=O)[O-])s1 380483481 LOHLRURCEPNTPE-UHFFFAOYSA-N 310.356 3.379 10 10 DGCE CS[C@H]1CCCN(c2ccc(CN)cc2C(F)(F)F)C1 382923723 CWCQCRUKABTBSI-NSHDSACASA-N 304.381 3.496 10 10 DGCE C[C@@H](NCc1coc(Br)c1)c1ccc(O)cc1O 385925623 AUWBKTBVIKLMQP-MRVPVSSYSA-N 312.163 3.304 10 10 DGCE Nc1ccc(C[C@H](O)c2cc(Br)ccc2F)cc1 696581893 WNWYRMVSWOSSAE-AWEZNQCLSA-N 310.166 3.447 10 10 DGCE C[C@@H](N)c1cc(F)c(N(CC(F)F)CC(F)F)c(F)c1 2194686387 AYZDAHJUBAQHEF-ZCFIWIBFSA-N 300.246 3.321 10 10 DGCE Oc1c(Br)cccc1CN[C@@H]1CC12CC(F)(F)C2 2069084329 KQAQUNWLDUAOFE-SNVBAGLBSA-N 318.161 3.432 10 10 DGCE CCNCc1ccc(N2C[C@H]3C[C@@H](C2)C3)c(Br)c1 2077890266 CRNKVSROGGDGJB-BETUJISGSA-N 309.251 3.405 10 10 DGCE CCOC(=O)[C@](CSc1nccs1)(C[C@@H](C)CC)NC 2207913235 FJCKRPYJQHFKQD-SMDDNHRTSA-N 316.492 3.193 10 10 DGCE C[C@@H](NC[C@@H]1C[C@H]1CNC(=O)OC(C)(C)C)c1ccccc1O 2296907541 UVYLRGHWLRILDQ-RDBSUJKOSA-N 320.433 3.204 10 10 DGCE CC1=NN(c2ccc(F)cc2)C(=O)C1=Cc1ccc2c(c1)OCO2 2297104499 PNSWCVSUFSDRNI-UHFFFAOYSA-N 324.311 3.361 10 10 DGCE COC(=O)Cc1nc2ccccn2c1N=Nc1ccccc1OC 2320767283 BIMAKWKUKCHXBV-UHFFFAOYSA-N 324.340 3.474 10 10 DGCE Cc1ccc(CN[C@H]2C3C[C@@H]4C2[C@@H]4C3)c(O)c1Br 2327626413 MODFDVLJAGNCTC-AYWDATEVSA-N 308.219 3.207 10 10 DGCE Cc1ccc(CN(C)c2ncc(C)n2C)c(O)c1Br 2352643693 RIQKPPXKBMSTPR-UHFFFAOYSA-N 324.222 3.141 10 10 DGCE O=C(CN(Cc1ccsc1)C1CC1)c1ccc(O)c(O)c1 50147154 BEEHRSKINRTXLV-UHFFFAOYSA-N 303.383 3.007 10 10 DGCE CC(C)N[C@@](CO)(CSc1nccs1)c1ccccc1 70521069 QFIWMTDFQBVSJK-HNNXBMFYSA-N 308.472 3.121 10 10 DGCE CN(C)c1ccc(CNc2nc3cc4c(cc3[nH]2)OCCO4)cc1 82743627 FPHPHVJJFCHEPQ-UHFFFAOYSA-N 324.384 3.012 10 10 DGCE CN[C@H](C)c1ccc(N2CC[C@@H](N3CCCC3)C2)c(Cl)c1 220574956 KAWKDCACHNNPLC-UKRRQHHQSA-N 307.869 3.295 10 10 DGCE CCOCCN(CC)c1ccc([C@@H](C)N)c(Br)c1 233713323 IFVIZXBTOWPENX-LLVKDONJSA-N 315.255 3.332 10 10 DGCE CC(=O)N(C(=O)Nc1cc(F)ccc1F)c1ccc(N)cc1 242761254 DMNFZKMTVJDLIU-UHFFFAOYSA-N 305.284 3.132 10 10 DGCE OCC[C@@H](NCc1cc(Cl)c(F)cc1O)c1ccccc1 293527374 DQPOVDCLJZWWDS-OAHLLOKOSA-N 309.768 3.398 10 10 DGCE CNCc1ccc(N2CC[C@@H](SC)C2)c(C(F)(F)F)c1 382934849 GWOYUVUAAXVLED-LLVKDONJSA-N 304.381 3.367 10 10 DGCE CN(CCCOCc1ccccc1)c1c(F)cc(CN)cc1F 383872416 XWOWPAARQMYGNV-UHFFFAOYSA-N 320.383 3.467 10 10 DGCE Oc1cc(Br)ccc1CNCC[C@H]1CCSC1 704869982 XFNRALBZQOIYAJ-JTQLQIEISA-N 316.264 3.388 10 10 DGCE Cc1cccnc1CCNCc1c(O)cccc1Br 706824783 CCBCGMGQWBYLBE-UHFFFAOYSA-N 321.218 3.190 10 10 DGCE CS[C@@H](C)CCNCc1c(O)cccc1Br 706881377 RJSQRLYBPCQEKE-VIFPVBQESA-N 304.253 3.386 10 10 DGCE O=C(O)[C@@H](O)c1c(SC(F)(F)F)ccc2scc(O)c12 725308329 RZTZFDORQHKCOY-VIFPVBQESA-N 324.301 3.337 10 10 DGCE Cc1cccc(-n2c(C)cc(CNCc3nccn3C)c2C)c1 728593019 IICWFUBABOLYHI-UHFFFAOYSA-N 308.429 3.426 10 10 DGCE Cc1ccc([C@H](C)NC2CCN(C(=O)C(C)C)CC2)c(O)c1C 756397599 WDKCMIUXXTYXLW-HNNXBMFYSA-N 318.461 3.307 10 10 DGCE CCOC[C@H](C)NCc1ccc(N(C)C)cc1C(F)(F)F 793094309 TUJZGJUCWDIOQU-NSHDSACASA-N 304.356 3.286 10 10 DGCE COc1ccc(CNC(=O)[C@@H]2[C@H](C)[C@H]2c2ccccc2)c(O)c1 797762289 WGWAYTDDPLYIPR-OCBCSQNSSA-N 311.381 3.067 10 10 DGCE O=C(C[C@@H]1C=CCC1)NCc1cc(Br)ccc1O 804737677 VXWYUTMCCASLTG-SNVBAGLBSA-N 310.191 3.127 10 10 DGCE CC[C@@H]1OCC[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O 807836836 QUPMDQZPQHMAPM-PWSUYJOCSA-N 318.200 3.130 10 10 DGCE CC(=O)C(=O)COC(=O)C1(c2ccc(Cl)cc2)CCCCC1 808512241 LJOFJGPQQQZEHO-UHFFFAOYSA-N 322.788 3.243 10 10 DGCE CC(=O)C(=O)COC(=O)c1cc(C)c(-c2ccc(F)cc2)s1 808512946 RTGWENPRSBIOCR-UHFFFAOYSA-N 320.341 3.178 10 10 DGCE COCC[C@H](COC)N[C@H](C)c1cc(Cl)c(Cl)cc1O 810258020 XZXNVVJQFKYACQ-NXEZZACHSA-N 322.232 3.401 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)/C=C/[C@@H]1CCCO1 819137674 HBLCKNUEXMBJQQ-DXRVJIQQSA-N 316.445 3.225 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)NCC2CCC(F)CC2)c1 828389098 FBGVAUDSQDMOFI-HIFPTAJRSA-N 324.396 3.289 10 10 DGCE CCC1(C(=O)NCc2ccc(O)c(O)c2)CCC(F)(F)CC1 830559327 MWORJQOQOJCHBW-UHFFFAOYSA-N 313.344 3.320 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@H](CO)c2ccc(F)cc2)cc1 835040912 VYXJHSXHJURGKF-ZRHASKPBSA-N 314.404 3.228 10 10 DGCE CC1CCN(c2ccc(CNC(=O)N3C[C@H](C)[C@@H]3C)cc2)CC1 838375182 DBEQUIONOBDHIP-HOTGVXAUSA-N 315.461 3.473 10 10 DGCE Cc1cc(O)c(CN2CCO[C@@]3(CCSC3)C2)c(Cl)c1 843420288 BAAVHWHOWMEBMO-HNNXBMFYSA-N 313.850 3.062 10 10 DGCE C/C(=C/C(=O)N1CC(C)(C)c2ccc(F)cc21)c1cnccn1 844826890 XNSUEWFWDKAHMS-WQLSENKSSA-N 311.360 3.343 10 10 DGCE Cc1oc(C2CC2)nc1C(=O)NCc1cc(Cl)ccc1O 846475262 BDFWOPCKTUDUAK-UHFFFAOYSA-N 306.749 3.149 10 10 DGCE COc1ccc(N2CC[C@@H](NCc3ccc(F)c(F)c3)C2)cc1 850346418 UUILILJOYMILQD-CQSZACIVSA-N 318.367 3.342 10 10 DGCE Oc1ccc(Cl)c(F)c1CN[C@H]1C[C@@H](O)c2ccccc21 850373176 DHGBBTYOSHMBKS-DZGCQCFKSA-N 307.752 3.453 10 10 DGCE CCn1ncc(CN[C@H](C)c2ccc(N3CCCCC3)cc2)n1 858443923 QCUCWKOPPRWMFO-OAHLLOKOSA-N 313.449 3.139 10 10 DGCE CC(C)(C)OC(=O)CCCCC(=O)N1Cc2cccc(O)c2C1 871205636 IVTJOVCFSYONHX-UHFFFAOYSA-N 319.401 3.137 10 10 DGCE CC[C@@H](NC[C@@]1(OC(C)C)CCOC1)c1ccc(F)cc1O 903357221 LAYQGZCJHPZDLD-WBVHZDCISA-N 311.397 3.156 10 10 DGCE CCN(CC)c1ccc(CN[C@H]2C[C@H]3CC[C@@H](N3)[C@H]2C)cc1F 925566940 MMGNBWLYQASNLN-UWIFEVILSA-N 319.468 3.291 10 10 DGCE CN(C)c1ccc(CNC(=O)c2ccc(Cl)c(O)c2)cc1 1135825590 ZFVYMPZRZAXYGP-UHFFFAOYSA-N 304.777 3.042 10 10 DGCE Oc1c(CNc2cc(C(F)F)ncn2)ccc2cccnc12 1307146681 WKCJWKZLCHLNPJ-UHFFFAOYSA-N 302.284 3.280 10 10 DGCE C[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CC[C@H]1C 1333749188 QNDFTXRXHLSUIR-NXEZZACHSA-N 305.399 3.431 10 10 DGCE C[C@H](NC(=O)NCc1ccc2c(c1)CCC2)c1ccccc1O 1348700898 JYYNWKKVBDUZRM-ZDUSSCGKSA-N 310.397 3.441 10 10 DGCE CCN(CC)c1ccc(CNC(=O)c2cc(C)cc(C)n2)cc1 1355911024 MFTQTDJYRCFCSU-UHFFFAOYSA-N 311.429 3.475 10 10 DGCE COc1ccc(Cl)cc1CC(=O)NCc1c(O)cccc1F 1596912163 MERHINRWCRFUAM-UHFFFAOYSA-N 323.751 3.052 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N2CCCc3cccc(O)c32)cc1 1598217620 MBIHUAMTFOPSFQ-UHFFFAOYSA-N 324.340 3.148 10 10 DGCE CCn1nc(C)c(CN(CC(C)C)c2ccc(OC)cc2)n1 1618637167 FNJQUPKCHKYRCN-UHFFFAOYSA-N 302.422 3.278 10 10 DGCE COc1ccc(C(=O)NCc2cc(C)ccc2O)c(Cl)c1 1629740838 QLGHBTWUWFNBQQ-UHFFFAOYSA-N 305.761 3.293 10 10 DGCE O=C(CCOc1ccccc1)NCc1cc(Cl)ccc1O 1640920268 NEJNATXHJQMMCQ-UHFFFAOYSA-N 305.761 3.131 10 10 DGCE CCOC(=O)CN(CCc1ccccc1)c1ccc(OC)cc1 1653680355 VYFFAMJFHLATFX-UHFFFAOYSA-N 313.397 3.307 10 10 DGCE CCc1cnc2[nH]cnc(NCc3ccc(N(C)C)c(F)c3)c1-2 1655049445 OXIVXAUIPXXHOB-UHFFFAOYSA-N 313.380 3.289 10 10 DGCE Cc1ccc2[nH]c(=Nc3ccc(C(=O)O)cc3O)sc2c1 1859858316 MIXZSZFGNXKGFY-UHFFFAOYSA-N 300.339 3.174 10 10 DGCE C[C@H]1C[C@@H](C)CN(/N=N/c2ccc(N3CCOCC3)cc2)C1 1860487680 JKVJCWSISOZTMR-ZGDSRJCYSA-N 302.422 3.500 10 10 DGCE C[C@@H]1CN(c2ccc(N)cc2)C[C@@]1(C)CNC(=O)OC(C)(C)C 1894535966 AFNKNMKTJOYNDU-FZKQIMNGSA-N 319.449 3.256 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@]2(C)C[C@@]2(COc2ccc(N)cc2)C1 1897330610 SDMWYYDOHSCIST-MSOLQXFVSA-N 318.417 3.295 10 10 DGCE OCCCN(Cc1ccccc1)c1ccc(CO)c(C2CC2)c1 1901156249 KMKLSGQBSKWQHO-UHFFFAOYSA-N 311.425 3.445 10 10 DGCE CC(C)(C)OC(=O)Nc1cnc(Cl)c([C@@H](CO)N=[N+]=[N-])c1 1951458529 JQGPEVVMECBKOC-SECBINFHSA-N 313.745 3.426 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H](Nc2ccc(N)cc2)CC1 1959373384 HUFOMSAQPKCBBO-AWEZNQCLSA-N 305.422 3.470 10 10 DGCE CC[C@@H]1CN(CCCN=[N+]=[N-])CC[C@@H]1NC(=O)OC(C)(C)C 1962303023 DVRIOHYZPWEGAB-OLZOCXBDSA-N 311.430 3.312 10 10 DGCE CC[C@@]1(NCc2ccc(N)cc2)CCN(C(=O)OC(C)(C)C)C1 1975562342 MMELWOAKBADTJT-GOSISDBHSA-N 319.449 3.148 10 10 DGCE C[C@@H]1CN(c2ccc(CO)cc2Br)CC1(F)F 1996505389 LGQMENWZHCWMSJ-MRVPVSSYSA-N 306.150 3.033 10 10 DGCE CN(CP(C)(C)=O)c1cc(Br)c(CN)cc1F 2021440148 CCUIAFLEBSTXAO-UHFFFAOYSA-N 323.146 3.063 10 10 DGCE C[C@@H]1C[C@@H](CN(C)Cc2c(O)cccc2Br)CO1 2040277162 XETQTBICVIJAJW-MNOVXSKESA-N 314.223 3.012 10 10 DGCE CC(C)(C)OC(=O)c1cnn(Cc2ccc(Cl)cc2O)c1 2069999532 XYOLMZHHJAXHSP-UHFFFAOYSA-N 308.765 3.246 10 10 DGCE C[C@@H](c1ccccc1O)N(C)c1cncc(Br)n1 2072453826 VKNVIAKOHBKBFM-VIFPVBQESA-N 308.179 3.142 10 10 DGCE Cc1cc(N(C)C[C@@]2(Br)CC2(F)F)ccc1CN 2082511377 QYPCVELTLUYVTQ-LBPRGKRZSA-N 319.193 3.063 10 10 DGCE N[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CC12CCC2 2089047963 MXCBFFIYLXDUCX-LBPRGKRZSA-N 301.217 3.012 10 10 DGCE Oc1ccc(Br)cc1CNCCCc1cccnc1 2094454864 FDVRXSDHIGTRAO-UHFFFAOYSA-N 321.218 3.272 10 10 DGCE CN[C@H](c1ccc2c(c1)CCN2C)c1cc(Br)co1 2112419301 FFDSQCPKHOPNCS-OAHLLOKOSA-N 321.218 3.343 10 10 DGCE COc1cc(Cl)cc(CN[C@H](CF)C(F)(F)F)c1O 2128684984 VFMKAQPOMYXEHD-SECBINFHSA-N 301.667 3.044 10 10 DGCE CC[C@@H]1CN(c2cc(Cl)c(CN)cc2F)[C@H](CC)CO1 2177381717 QDRHPPIOKAVHRG-VXGBXAGGSA-N 300.805 3.332 10 10 DGCE C[C@H](O)C[C@@H]1CCCCN1c1cc(Cl)c(CN)cc1F 2177385902 SNYBPRULLYOIIC-JQWIXIFHSA-N 300.805 3.068 10 10 DGCE CC(C)OC[C@H]1CCCN1c1cc(Cl)c(CN)cc1F 2177389987 TYRVCGPQUKKAKZ-GFCCVEGCSA-N 300.805 3.332 10 10 DGCE Oc1cccc(Br)c1CNC[C@@H](F)C1CCC1 2215287465 CLDVIZXKUCFLTP-GFCCVEGCSA-N 302.187 3.383 10 10 DGCE Oc1cc(Cl)ccc1CNC[C@H]1OCC[C@H]1C(F)(F)F 2240544190 QCKDGPZKWYIGRI-ZYHUDNBSSA-N 309.715 3.103 10 10 DGCE S=C(C=C1NCCc2cc3c(cc21)OCO3)Nc1ccccc1 2296347548 UZWGWVDIKZVBMY-UHFFFAOYSA-N 324.405 3.341 10 10 DGCE C[C@@H]1CN(C(=O)C=Cc2ccc(O)c(O)c2)[C@@H]2CCCC[C@@H]12 2308248221 LQUBEQVKKWFFSM-VHDGCEQUSA-N 301.386 3.148 10 10 DGCE CCN(CCN=[N+]=[N-])C[C@@H](O)c1ccc(Br)cc1 2315993052 WABDEYLSNQCNTR-GFCCVEGCSA-N 313.199 3.115 10 10 DGCE Cc1cccc(N=Nc2c(CC(=O)O)nc3c(O)cccn23)c1 2320774163 HWNWRDRJPWMAIF-UHFFFAOYSA-N 310.313 3.391 10 10 DGCE CCC1=NN(Cc2ccccc2)C(=O)C1=Cc1ccc(O)cc1O 2332096176 WYSYPMKBEJNMSE-UHFFFAOYSA-N 322.364 3.290 10 10 DGCE N[C@H]1C[C@@H]2C[C@H](C1)N(Cc1cc(Cl)cc(Cl)c1O)C2 2332111868 LYNMKKWPYDGLDH-JFUSQASVSA-N 301.217 3.011 10 10 DGCE CCCOc1ccc(C=C2C(=O)N(C)N=C2C(F)(F)F)cc1 2332119385 HXYCBNRAWXBYTI-UHFFFAOYSA-N 312.291 3.249 10 10 DGCE CC(C)N[C@@](CSc1nccs1)(C(=O)O)[C@@H]1CC1(C)C 2366587054 OOZQYBDXULAYGR-QMTHXVAHSA-N 314.476 3.103 10 10 DGCE Oc1ccc(CNCc2cc(Br)cs2)c(O)c1 70940997 YQKHMTHQEPQFBY-UHFFFAOYSA-N 314.204 3.212 10 10 DGCE C[C@H](OCc1cccc(Cl)c1)C(=O)Nc1ccc(N)cc1 87091675 XVKZIEPEGHSRPW-NSHDSACASA-N 304.777 3.466 10 10 DGCE CC(C)[C@@H](CN[C@H](C)c1ccc(F)c(F)c1O)N1CCCC1 191197610 RYJWEAJBQMXADA-IUODEOHRSA-N 312.404 3.441 10 10 DGCE Fc1cc(CN2C[C@@H]3CCCC[C@H]3C2)ccc1N1CCOCC1 93441992 CZJQKXNOEZGHHU-IRXDYDNUSA-N 318.436 3.284 10 10 DGCE CN1CCN(c2ccc(CNC34CCC(CC3)CC4)cc2)CC1 824935670 LCPOYCGAKKKDJF-UHFFFAOYSA-N 313.489 3.251 10 10 DGCE CNCc1ccc(N2CCS[C@H](C(F)(F)F)C2)c(C)c1 721388605 IDYNPAUEXSXTFY-ZDUSSCGKSA-N 304.381 3.199 10 10 DGCE CC(C)O[C@]1(CN[C@H](C)c2cc(Cl)ccc2O)CCOC1 903357537 NAKYOWLKZLQSML-WBMJQRKESA-N 313.825 3.280 10 10 DGCE CCCN1CCC(NC/C=C/c2ccc(N(C)C)cc2)CC1 835043470 UTUCITIWWRIRDA-AATRIKPKSA-N 301.478 3.230 10 10 DGCE CN(Cc1cc(C(C)(C)C)cc(O)c1O)[C@H]1CCN(C2CC2)C1 732188824 LZFBJNLWHIMLQB-INIZCTEOSA-N 318.461 3.064 10 10 DGCE C[C@@H](NCCC1(CN)CC1)c1ccc(Cl)c(Cl)c1O 844921883 WBQVABWABXDZGE-SECBINFHSA-N 303.233 3.479 10 10 DGCE C[C@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@@H](CC(C)(C)C)C1=O 843309482 ZIRHFNADRQJJKV-DOMZBBRYSA-N 317.433 3.170 10 10 DGCE CCc1cccc(CNC[C@@H](O)c2ccc(Cl)cc2)c1O 848892691 DXGXAKINLYMIQM-MRXNPFEDSA-N 305.805 3.431 10 10 DGCE Nc1ccc(NC(=O)NCC[C@H]2OCCc3ccccc32)cc1 926140596 BLVQBLBKPLYLKH-QGZVFWFLSA-N 311.385 3.094 10 10 DGCE Cc1cc(Br)c(O)c(CN2CCCSCC2)c1 757874321 FRMZIIHVROGFBT-UHFFFAOYSA-N 316.264 3.402 10 10 DGCE OC[C@]1(c2ccccc2)C[C@@H](N[C@H]2CCc3cccc(O)c32)C1 927154188 BFSDFCBDLZJYKD-ABSDTBQOSA-N 309.409 3.062 10 10 DGCE O=C(NCCOCc1ccc(Cl)cc1)c1cc(O)cs1 754481135 DUAIZGBWKMNSCY-UHFFFAOYSA-N 311.790 3.054 10 10 DGCE O=C(Nc1cnn(C2CCCC2)c1)N1Cc2cccc(O)c2C1 925877470 JJNOLXFXMFKTAA-UHFFFAOYSA-N 312.373 3.252 10 10 DGCE CSC1CCC(CNCc2cc([N+](=O)[O-])ccc2O)CC1 922418631 FIBOZYCPMYYDOZ-UHFFFAOYSA-N 310.419 3.312 10 10 DGCE CCOc1ccc([C@H](C)NC(=O)c2ccc(C)c(O)c2O)cc1 751533444 NYJOKNJXXNOVJT-LBPRGKRZSA-N 315.369 3.296 10 10 DGCE COc1cccc(CNC(=O)CC2CCC(F)(F)CC2)c1O 860241450 RMCSFSZVCZJUBM-UHFFFAOYSA-N 313.344 3.233 10 10 DGCE C[C@@H]1C[C@@H](CN(Cc2ccccc2O)C[C@H]2CCCO2)CCO1 778991589 AQNPFXNPPHPUKK-SOLBZPMBSA-N 319.445 3.188 10 10 DGCE C/C(=C\C(=O)N1C[C@@H](C)Sc2ccccc21)c1cnccn1 1126993797 ZVTFXHRDRLHERZ-CNELAYHGSA-N 311.410 3.407 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)/C=C2\CC[C@H](C)C2)cc1 1130745447 WXSFWPKUNKTRNT-IDTYTIONSA-N 316.445 3.336 10 10 DGCE c1cc(CNCc2ccc3c(c2)CCCO3)cc(OCC2CC2)n1 1200105699 MUNNXWIBBSFRGH-UHFFFAOYSA-N 324.424 3.485 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1Nc1ccccc1N 1959369865 BSUJTVTWODKQIB-OCCSQVGLSA-N 305.422 3.326 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1Nc1c(N)cccc1F 1959373837 NZNBYCPBUNWZRZ-OLZOCXBDSA-N 309.385 3.266 10 10 DGCE N[C@H]1CN(c2ccc(OCc3ccccc3)cc2)CC(F)(F)C1 1899851635 JFBRFEHNPMCOQL-OAHLLOKOSA-N 318.367 3.438 10 10 DGCE O=C(NCc1cc(O)ccc1O)[C@@H]1CCc2c(Cl)cccc21 1153884300 BIHKGKKTOCGNSX-CQSZACIVSA-N 317.772 3.097 10 10 DGCE Cc1nn(C)c(CNCc2cccc(Cl)c2O)c1Cl 898215308 KZXBMYDBKQFIOA-UHFFFAOYSA-N 300.189 3.031 10 10 DGCE CC[C@@H](CN(C)Cc1ccc(N)cc1)NC(=O)OC(C)(C)C 1961902543 KKHCGDVUWAAOEK-HNNXBMFYSA-N 307.438 3.004 10 10 DGCE Cc1ncsc1/C=C/C(=O)N1CCOc2c1ccc(F)c2F 1436824869 OFNXHICPMJHIAK-SNAWJCMRSA-N 322.336 3.169 10 10 DGCE O=C(NCc1cc(O)ccc1O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 1455355571 CWOQOUCLMHAYPD-MWLCHTKSSA-N 317.307 3.083 10 10 DGCE Cc1cncc(/C=C\C(=O)N2CCOc3c(F)ccc(F)c32)c1 1527646018 AULYJMWQCNKZOI-DJWKRKHSSA-N 316.307 3.107 10 10 DGCE O=C(NCCCSc1nccs1)c1onc2ccccc12 1464903402 VNOZZAYUGLVMST-UHFFFAOYSA-N 319.411 3.197 10 10 DGCE CN(C)c1ccc(CNC(=O)c2coc3cc(O)ccc23)cc1 1463728757 ZCHFUQZTGIUPBL-UHFFFAOYSA-N 310.353 3.134 10 10 DGCE C[C@H](C(=O)NCc1cc(O)ccc1O)c1ccc(Cl)s1 1471660809 AEWWXYRAPLRPQE-QMMMGPOBSA-N 311.790 3.233 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)Nc1ncnc2[nH]ccc12 1472808266 MLCWBYFULICRQQ-ZDUSSCGKSA-N 309.417 3.375 10 10 DGCE Cc1ccc([N+](=O)[O-])c(NCc2ccc3cccnc3c2O)n1 1559216868 QQVNRYABSOFDSW-UHFFFAOYSA-N 310.313 3.164 10 10 DGCE Cc1ocnc1C(=O)NCc1cc(C)n(-c2ccccc2)c1C 1624075481 PZKQKPTYEQPAMW-UHFFFAOYSA-N 309.369 3.321 10 10 DGCE Cc1ccncc1[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1631513203 BWYIHDLHVFJLBR-NSHDSACASA-N 311.345 3.043 10 10 DGCE CCc1nnc(N(C)C2CC2)n1CCCSc1nccs1 1727495765 NDILRYMCDFYLLI-UHFFFAOYSA-N 323.491 3.078 10 10 DGCE O=C(NCc1cccc(O)c1O)c1ccccc1-c1ccncc1 1637046759 XLDKVCPCBHNXEE-UHFFFAOYSA-N 320.348 3.090 10 10 DGCE C[C@@H](NC(=O)[C@](C)(O)c1ccc(Cl)cc1)c1ccccc1O 1635799056 NKJWRWMQLCSDTP-PIGZYNQJSA-N 319.788 3.131 10 10 DGCE CN(CCCN=[N+]=[N-])C(=O)c1cscc1Br 1912177391 JDAREOSKKLITHG-UHFFFAOYSA-N 303.185 3.283 10 10 DGCE COc1ccc(N(C)CCOCC(F)(F)C(F)(F)F)cc1 1654124079 CYQKBUJCVOAPDV-UHFFFAOYSA-N 313.266 3.346 10 10 DGCE COc1ccc(CNC[C@@H](C)NC(=O)C2CC(C)(C)C2)cc1C 1699361148 MDGRGQQFGRMFRJ-CQSZACIVSA-N 318.461 3.034 10 10 DGCE CCC1=NN(c2ccccn2)C(=O)/C1=C/c1ccc(N(C)C)cc1 1865656628 OVAOLVKZZSKBAV-DTQAZKPQSA-N 320.396 3.344 10 10 DGCE CCCn1nccc1CNCc1cc(Br)ccc1O 825893332 WFFWGPJKFWTLMS-UHFFFAOYSA-N 324.222 3.051 10 10 DGCE CC[C@H](O)CN(CCCc1ccc(N)cc1)Cc1ccccc1 1915078449 QEQSMZCVSAQJDQ-FQEVSTJZSA-N 312.457 3.475 10 10 DGCE CC(C)(C)OC(=O)N[C@@H](C[C@@H](N)c1ccccc1O)C1CCC1 1936970272 KISSTUVTJDOBNW-CABCVRRESA-N 320.433 3.476 10 10 DGCE Oc1cc(Br)ccc1CNC1CC(C(F)F)C1 1942440645 BRIJRGACPJSNCI-UHFFFAOYSA-N 306.150 3.288 10 10 DGCE COc1cc(Cl)cc(CN[C@H]2C[C@@H](CSC)C2)c1O 1974453727 DNGSTQYRNCPTPB-WVSHTKLVSA-N 301.839 3.285 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H](Nc2ccc(N)cc2)CC2(CC2)C1 1977663632 BBMFBMLRFYUQIH-OAHLLOKOSA-N 317.433 3.470 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCCN2CCCN=[N+]=[N-])C1 1982248759 YCZBAEHIZHPTGR-ZIAGYGMSSA-N 323.441 3.408 10 10 DGCE Cc1ccc(O)c(CN[C@H]2CC[C@@H]2CNC(=O)OC(C)(C)C)c1 1986708268 AYHVIFRLBKRMAK-HIFRSBDPSA-N 320.433 3.094 10 10 DGCE C[C@H](N[C@@H]1CC[C@H]1NC(=O)OC(C)(C)C)c1cc(F)ccc1O 1986712596 MIUNNFHJWKODMH-ZLKJLUDKSA-N 324.396 3.238 10 10 DGCE CCN(Cc1ccc(N)cc1)c1nnc(C(F)(F)F)s1 160397455 RNMFBOVYFPNEJM-UHFFFAOYSA-N 302.325 3.166 10 10 DGCE CN1CCCc2cc([C@]3(N)CCN(Cc4ccccc4)C3)ccc21 1999522419 ZHFRIJLQORDOFA-NRFANRHFSA-N 321.468 3.129 10 10 DGCE Oc1c(Br)cccc1CNCC1(CCF)CC1 2018882288 VESSEHOMFQGFOT-UHFFFAOYSA-N 302.187 3.384 10 10 DGCE COc1ccc2nc(Sc3ncc([C@H](C)O)s3)[nH]c2c1 2159808738 FDZYKEKCJOUBAA-ZETCQYMHSA-N 307.400 3.233 10 10 DGCE CCc1cc(C(=O)N(C)C)n([C@H](C)c2cc(C)c(C)cc2O)n1 2070048525 KFEUPYBJLDJZMQ-CYBMUJFWSA-N 315.417 3.079 10 10 DGCE C[C@@H](c1c(O)cccc1F)n1nc(-c2ccccc2)cc1CO 2070165709 UQZWSFBXNSFKNL-LBPRGKRZSA-N 312.344 3.496 10 10 DGCE COc1ccc([C@@H](C)n2nc(C(F)F)c(N)c2Cl)c(O)c1 2079873826 VEBGKIXCFHYKRD-ZCFIWIBFSA-N 317.723 3.380 10 10 DGCE CCN(CCF)c1ccc(C=CC(=O)O)cc1Br 2065009080 JFJHOEJPXWJHIX-UHFFFAOYSA-N 316.170 3.343 10 10 DGCE C[C@@H](c1ccccc1O)N(C)c1nnc(C(F)(F)F)s1 2192598984 VSAQHQRFTCPNLH-ZETCQYMHSA-N 303.309 3.460 10 10 DGCE CC[C@H](C)NCc1cnc(S[C@H]2CCC[C@@H](O)C2)s1 2231443291 GKWWAHUJBBENAJ-TUAOUCFPSA-N 300.493 3.427 10 10 DGCE C[C@H](N)c1ccc(N(C)C[C@H](F)[C@H]2CCOC2)cc1Cl 2238325104 XQKHKJVFVBRYGV-PGUXBMHVSA-N 300.805 3.171 10 10 DGCE O=C1N=C(N2CCSCC2)SC1=Cc1ccc(Cl)cc1 2296601193 FTSRGJQUHRLOCE-UHFFFAOYSA-N 324.858 3.359 10 10 DGCE COCCCN1C(=O)C(=CC=Cc2ccccc2)SC1=S 2296690824 WOKYEAQTOMJICJ-UHFFFAOYSA-N 319.451 3.481 10 10 DGCE Cc1ccn2c(N=Nc3ccc(C(=O)O)cc3)c(C(=O)O)nc2c1 2320768333 BJZAPRRPINSMCR-UHFFFAOYSA-N 324.296 3.455 10 10 DGCE CCOc1cccc(C=C2SC(=S)N(C3CC3)C2=O)c1O 2323858003 PTVBIYYDCKMFRC-UHFFFAOYSA-N 321.423 3.155 10 10 DGCE CC[C@H](C[C@H](C)O)NCc1ccc(C)c(Br)c1O 2327631346 PNABZQQPHXXGAP-CMPLNLGQSA-N 316.239 3.102 10 10 DGCE Cc1ccc(C(=O)NCc2ccc(C)c(Br)c2O)o1 2352629812 YKTOYZNLEAZCNE-UHFFFAOYSA-N 324.174 3.295 10 10 DGCE COc1ccc([C@H](NCCSC)c2ccccc2)c(O)c1 69427478 KUCTXXPULUPBCC-QGZVFWFLSA-N 303.427 3.443 10 10 DGCE COc1ccc(N2CC[C@H](CNC3CCCCC3)C2)cc1OC 76378835 ZSZYBHWKZFCHGJ-OAHLLOKOSA-N 318.461 3.452 10 10 DGCE CC1(C)[C@H]2CNC[C@H]2CN1Cc1cc(Cl)cc(Cl)c1O 90334330 LZAAJPYJNFXFFF-JQWIXIFHSA-N 315.244 3.129 10 10 DGCE CCCNCc1ccc(N(C)[C@@H]2CCCN(C)C2)c(Cl)c1 164051322 NIUORVDRLNNELU-OAHLLOKOSA-N 309.885 3.370 10 10 DGCE O=C1N=C(Nc2ccccc2)S/C1=C\c1cnc2ccccn12 172544182 JMXQVCOHDOZQGJ-UVTDQMKNSA-N 320.377 3.417 10 10 DGCE Cc1cc(C)c(O)c(CN2CC[C@H](C(=O)OC(C)(C)C)C2)c1 178898183 FCDDHMOSZYWXDK-AWEZNQCLSA-N 305.418 3.173 10 10 DGCE CC(C)Oc1nccnc1NCCCSc1nccs1 180030273 IUADKUFZUWPOEE-UHFFFAOYSA-N 310.448 3.315 10 10 DGCE CCOc1ccccc1CN(C)Cc1cccc(OC)c1O 180039529 YLQKJWABGDCBPI-UHFFFAOYSA-N 301.386 3.432 10 10 DGCE Cc1cccc2c(N[C@@H](C)Cc3ccc(O)c(O)c3)ncnc12 184147850 FVYJKKAZXJPBAQ-LBPRGKRZSA-N 309.369 3.393 10 10 DGCE COc1ccc(O)c([C@H](C)Nc2ccc3oc(=O)n(C)c3c2)c1 186438809 XQOSPRQZDVVVJH-JTQLQIEISA-N 314.341 3.019 10 10 DGCE C[C@@H](N)c1ccc(N2CCOC(C)(C)C2)cc1Br 235218297 UJVXPTAFUXNTEL-SNVBAGLBSA-N 313.239 3.084 10 10 DGCE C[C@H](N[C@H](C)c1cn[nH]c1)c1ccc(Br)cc1O 273514768 SIVAWAFUYLRBBT-BDAKNGLRSA-N 310.195 3.290 10 10 DGCE CC(C)n1ncc2c1C[C@H](NCc1ccc(N(C)C)cc1)CC2 365135922 NAFSXAWDVBJSNR-QGZVFWFLSA-N 312.461 3.177 10 10 DGCE COc1ccc(CN[C@H]2[C@@H]3CN(Cc4ccccc4)C[C@@H]32)cc1C 398328237 PKGXPXXWARSBBU-KXTWHKPSSA-N 322.452 3.224 10 10 DGCE Oc1cccc(Cl)c1CN1CCO[C@H](C(F)(F)F)CC1 687288150 QXQVRLZVQALMRJ-LBPRGKRZSA-N 309.715 3.199 10 10 DGCE CN(CCOC(C)(C)C)c1ccc(CN)cc1Br 690119024 GKHQUKJQBCKWBH-UHFFFAOYSA-N 315.255 3.159 10 10 DGCE [N-]=[N+]=NCCNC(=O)/C=C/c1cc(Br)ccc1F 701300892 IIBJPKBQLCQFIX-DAFODLJHSA-N 313.130 3.028 10 10 DGCE [N-]=[N+]=NCCCNC(=O)/C=C/c1ccc(Br)cc1 701301498 QGFJNRYDLOYLBR-QPJJXVBHSA-N 309.167 3.279 10 10 DGCE CC(C)(CCS(=O)(=O)Nc1ccc(O)c(F)c1)C1CC1 717909608 KATICIISJHRODS-UHFFFAOYSA-N 301.383 3.099 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)NCc1ccc(Cl)o1 734653194 BYKROGBJCLJVQK-UHFFFAOYSA-N 321.808 3.307 10 10 DGCE Cc1ncoc1C(=O)NCCc1cc(C)n(-c2ccccc2)c1C 747351260 ZTDXLACJVXMXNA-UHFFFAOYSA-N 323.396 3.363 10 10 DGCE Cc1nn(C)cc1CNCCc1cc(C)n(-c2ccccc2)c1C 755996817 BDUBYKYYWLPTEP-UHFFFAOYSA-N 322.456 3.468 10 10 DGCE CO[C@@H]1[C@@H]2C[C@@H]3[C@@H]1N(Cc1cc(Cl)cc(C)c1O)C[C@@H]3C2 809698526 ZLHXRWJOPZGNSC-AQYSPBEXSA-N 307.821 3.209 10 10 DGCE CC(C)[C@@H](O)C(C)(C)CNC/C=C/c1ccc(N(C)C)cc1 835041784 NSGNQAIDIDDTSX-LKGOPFMKSA-N 304.478 3.399 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCC[C@]2(C)CCCO)cc1 835053114 KUAVSMKNGCXIJC-BQHGXPCASA-N 302.462 3.393 10 10 DGCE Cc1cc(O)c(CN[C@@H]2CCC[C@H](C(=O)N(C)C)C2)c(Cl)c1 840897262 LLYKVQKYMJUCJY-QWHCGFSZSA-N 324.852 3.091 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)N1CCCC[C@H]1C1CCC1 844124221 RSKAKEVSMBACTE-HQPKTYMTSA-N 301.386 3.292 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H]1OCc2ccccc21 846876389 REQHMIYYQRNXNA-IBGZPJMESA-N 324.424 3.339 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H](C)O[C@@H]1C 868110085 SBFMZYCKHMUFOT-SQWLQELKSA-N 305.418 3.334 10 10 DGCE CCN(C)c1ccc([C@H](C)NC[C@@]2(OC(C)C)CCOC2)cc1 903359589 DPPBWRYBRSVLKJ-LPHOPBHVSA-N 320.477 3.377 10 10 DGCE Cc1ccc(O)c([C@H](C)NC[C@@H]2CCC3(CCOCC3)O2)c1 927013726 LZKHVVWBTUYTBN-GJZGRUSLSA-N 305.418 3.079 10 10 DGCE O=C1NN=C(c2cccc(F)c2)/C1=C/Nc1ccc(Cl)cc1 1088700405 ICQVWCUIVDPRSP-ZROIWOOFSA-N 315.735 3.309 10 10 DGCE CCN(CC)C1CCN(Cc2cc3c(cc2O)CCC3)CC1 1328990791 WENWENJBMZIOKQ-UHFFFAOYSA-N 302.462 3.187 10 10 DGCE CCOCc1ccc(NC(=O)N2Cc3cccc(O)c3C2)cc1 1333462059 OBTMHEPBFKKPDS-UHFFFAOYSA-N 312.369 3.476 10 10 DGCE Cc1ccc(CCCC(=O)NCc2cccc(O)c2O)s1 1349079598 NTUABMAPYZDGOE-UHFFFAOYSA-N 305.399 3.107 10 10 DGCE COCC1(CC(=O)N(C)Cc2ccc(N3CCCC3)cc2)CC1 1351162795 KRVHXYUZIHKJPQ-UHFFFAOYSA-N 316.445 3.062 10 10 DGCE C[C@@H](NC(=O)Cc1c[nH]c2cc(F)ccc12)c1ccccc1O 1471195831 NBKDKRHCLDLGRT-LLVKDONJSA-N 312.344 3.433 10 10 DGCE CC/C(C)=C/C(=O)NCC[C@H](C)NCc1ccc(OC)c(C)c1 1484991704 JFISKJWGRSUFTR-UKYUDJEDSA-N 318.461 3.344 10 10 DGCE O=C(Nc1c(Cl)ccc2nonc12)c1ccc(C(F)F)nc1 1539054398 QMBBMRMIKNUVLJ-UHFFFAOYSA-N 324.674 3.461 10 10 DGCE Cc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1-c1ncco1 1545438980 CUUDFALGIMCARU-UHFFFAOYSA-N 324.336 3.242 10 10 DGCE C/C(=C/c1ccccc1)CN(C)C(=O)Cc1ccc(O)c(O)c1 1567596679 OBUJLGBEOGAUIQ-UVTDQMKNSA-N 311.381 3.202 10 10 DGCE Cc1ncccc1/C=C\C(=O)NCc1cc(Cl)ccc1O 1583821056 SMYNNSOZQPFZPV-DAXSKMNVSA-N 302.761 3.079 10 10 DGCE COC(=O)/C=C/c1ccc(N2C[C@H](C)[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 1612509826 NGMRPFLRPUTNNY-UIHJGBRISA-N 318.373 3.262 10 10 DGCE CC[S@@](C)(=O)=NC(=O)Cc1cc(C)n(-c2ccccc2)c1C 1626290170 VQVHURFGRPLVIG-JOCHJYFZSA-N 318.442 3.281 10 10 DGCE C/C(=C/c1ccc(Cl)cc1)C(=O)NCc1cc(O)ccc1O 1644753799 KCYJJPIVTRKUOY-FLIBITNWSA-N 317.772 3.471 10 10 DGCE CSC1CCC(CNC(=O)c2ccc(C)c(O)c2O)CC1 1645512590 NXWMGIGAGANJCX-UHFFFAOYSA-N 309.431 3.058 10 10 DGCE Clc1ccc(NN=NCCCN2CCOCC2)cc1Cl 1860489450 NMTMQJVYPOBUFP-UHFFFAOYSA-N 317.220 3.495 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[C@H](N)c1ccccc1O 1936988121 ZAXDJEAROUGTPY-NFAWXSAZSA-N 320.433 3.285 10 10 DGCE C[C@H]1CCS[C@H]1CNCc1ccc(Br)cc1O 1945605147 JONAEKYZRLMTHD-ZANVPECISA-N 316.264 3.386 10 10 DGCE Nc1ccc(CCN2CCCN(Cc3ccccc3)CCC2)cc1 1947187157 NUTHWHPUSBQDLG-UHFFFAOYSA-N 323.484 3.409 10 10 DGCE CC(C)(C)OC(=O)Nc1ccc([C@H]2CC(F)(F)CN2)c(O)c1 1952915803 HKJNOZVIFOCPLI-LLVKDONJSA-N 314.332 3.409 10 10 DGCE C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)CN1CCCN=[N+]=[N-] 1962288201 SYEJUEYYDMVQBV-CHWSQXEVSA-N 311.430 3.312 10 10 DGCE CC[C@]1(NCc2ccc(N)cc2)CCN(C(=O)OC(C)(C)C)C1 1975562345 MMELWOAKBADTJT-SFHVURJKSA-N 319.449 3.148 10 10 DGCE C[C@H]1CN(Cc2ccccc2)C[C@@H]1NCc1c(O)cccc1F 1976860325 HIFQTMSVGNNARD-KSSFIOAISA-N 314.404 3.141 10 10 DGCE CN(Cc1ccccc1)[C@@H]1CCN(c2ccc3c(c2)CC[C@@H]3N)C1 2012708444 FEEIMQKDWYTGGO-CTNGQTDRSA-N 321.468 3.343 10 10 DGCE O=C(O)Cc1csc(Sc2ncc(C(F)F)s2)n1 2037269568 GSCNMMFTSNFSEW-UHFFFAOYSA-N 308.356 3.316 10 10 DGCE CNCc1ccc(N2CC[C@@H](CCF)C2)c(Br)c1 2047229316 FXNJUWAEJUAWII-LLVKDONJSA-N 315.230 3.354 10 10 DGCE CNCc1ccc(N2C[C@@H]3C[C@@H]3[C@H]3C[C@@H]32)cc1Br 2053741539 OOUVVIWBBSHYEA-DNVSUFBTSA-N 307.235 3.013 10 10 DGCE CNCc1ccc(N(C)CC[C@H](C)OC)c(Br)c1 2059361965 JCFPLSGGDKOGOH-NSHDSACASA-N 315.255 3.030 10 10 DGCE C[C@H](CNCc1ccc(Br)cc1O)OC(C)(C)C 2072116019 UVKGKQUALDGJSM-SNVBAGLBSA-N 316.239 3.448 10 10 DGCE CCCN[C@H]1[C@H](Sc2nccs2)COCCC1(F)F 2097090208 CTYXVIMKGVCRIM-ZJUUUORDSA-N 308.419 3.028 10 10 DGCE CN1[C@H]2CC[C@H](Nc3c(N)cccc3Br)C[C@H]1CC2 2097921060 RJXBQLMPHBKRBL-SDDRHHMPSA-N 324.266 3.459 10 10 DGCE Cc1nc(CN(C)c2ccc([C@@H](C)N)c(Br)c2)co1 2113577879 NWCYOMFTSPKFTD-SECBINFHSA-N 324.222 3.402 10 10 DGCE COc1cc(NCc2ccccc2O)c(N)cc1Br 2137745809 TUCHJYXSEKLJMX-UHFFFAOYSA-N 323.190 3.358 10 10 DGCE C[C@@H]1[C@H](CC(=O)O)CCN1Cc1cc(Cl)cc(Cl)c1O 2153484626 AOWIQHBMULZFQP-BDAKNGLRSA-N 318.200 3.384 10 10 DGCE CCSC1CN(c2c(F)cc(CNC(C)C)cc2F)C1 2153907250 OYIHAHGUCGNAQP-UHFFFAOYSA-N 300.418 3.405 10 10 DGCE C[C@@H](O)c1ccc(N2CCS[C@H]3COCC[C@@H]32)c(Cl)c1 2170501664 COVFWUQSTJXUJE-ONERCXAPSA-N 313.850 3.104 10 10 DGCE C[C@@H](c1ccc(Cl)cc1O)N1CCO[C@H](C(F)F)CC1 2203345217 DDQFQRYFQKIYEF-ZANVPECISA-N 305.752 3.463 10 10 DGCE Oc1c(Cl)cccc1CNC[C@@H]1OCC[C@@H]1C(F)(F)F 2240537412 SVPTYFYEQAJFOP-ONGXEEELSA-N 309.715 3.103 10 10 DGCE CSc1ncc(CNC(=O)c2ccc(C)c(F)c2F)s1 2284711606 KMDCLCMYVVUORT-UHFFFAOYSA-N 314.382 3.382 10 10 DGCE CC(C)(C)c1nnsc1CNCc1ccc(Cl)cc1O 2360883313 UQZSIDPMRULLFF-UHFFFAOYSA-N 311.838 3.484 10 10 DGCE Nc1ccc(NC(=O)CCC[S@](=O)C2CCCCC2)cc1 40971667 VDJXGCMCNOHYQM-OAQYLSRUSA-N 308.447 3.069 10 10 DGCE CCCN[C@@](C)(C[C@@H](C)Sc1nccs1)C(=O)OCC 68639655 GKINSSPCGCXSMA-RISCZKNCSA-N 316.492 3.335 10 10 DGCE O=C(O)[C@]1(NC2CC2)CCC[C@H]1CCSc1nccs1 93629938 JJAFIHWTNUXHRH-HZMBPMFUSA-N 312.460 3.001 10 10 DGCE CC[C@H](N)Cc1c(Sc2nccs2)nc2sccn12 104434744 JUMXEJAHWMXCEW-QMMMGPOBSA-N 310.473 3.283 10 10 DGCE O=C(/C=C/c1ccc(N2CCOCC2)cc1)OC1(C2CC2)CC1 176929085 NWVYKCUGGINTCI-FPYGCLRLSA-N 313.397 3.022 10 10 DGCE CCO[C@@H]1C[C@@H](N(C)Cc2cc([N+](=O)[O-])ccc2O)C12CCC2 177916190 WJCLQYAUASQCDA-HZPDHXFCSA-N 320.389 3.080 10 10 DGCE CC(C)c1nc([C@H]2CCCN2Cc2cc(F)ccc2O)no1 180031407 YBUBWCUWRMSVFX-CYBMUJFWSA-N 305.353 3.375 10 10 DGCE C[C@@H](NCc1ccc(F)c(CN(C)C)c1)c1ccccc1O 183514631 BOWVRNREHMPCQK-CYBMUJFWSA-N 302.393 3.444 10 10 DGCE CCc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1cc(C)ccc1O 185682432 KOHVBNFGTMFSKR-OCCSQVGLSA-N 300.406 3.040 10 10 DGCE COc1ccc2c(c1)CCN2Cc1ccc2c(c1)CCC(=O)N2C 186753641 BZESPDBMVXDUHW-UHFFFAOYSA-N 322.408 3.167 10 10 DGCE Cc1ccnc(NCc2cc(N)ccc2O)c1Br 235938307 FTSHQNYXOFSBAB-UHFFFAOYSA-N 308.179 3.052 10 10 DGCE CCOc1ccc(O)c(CN2CCCC3(CCN(C)CC3)C2)c1 375997977 DMXRXFHDQYWTMY-UHFFFAOYSA-N 318.461 3.099 10 10 DGCE Oc1cccc(Br)c1CN[C@H]1COc2ccccc21 706807772 FFWKNVYASDGTLP-ZDUSSCGKSA-N 320.186 3.378 10 10 DGCE C[C@H](CNCc1ccc(Br)cc1O)[C@H]1CCCO1 720540667 IDUNHHCYHCXVPB-QMTHXVAHSA-N 314.223 3.059 10 10 DGCE CC1CCN(c2ccc(CNC(=O)NC[C@H]3C[C@@H]3C)cc2)CC1 731049974 YWQKSTUXIMJVKI-DOTOQJQBSA-N 315.461 3.378 10 10 DGCE Cc1cc(-c2nnc(COC(=O)c3cc(O)cs3)o2)c(C)o1 783607689 JJLMGHZJMYTJCZ-UHFFFAOYSA-N 320.326 3.071 10 10 DGCE CO[C@H](C)c1nsc(NCc2ccc(N(C)C)cc2C)n1 800852342 GQUHXTCGCSWPPI-LLVKDONJSA-N 306.435 3.232 10 10 DGCE Cc1ccc(CN(CCO)Cc2cc(Cl)c(F)cc2O)o1 816596412 ATWHGQDAPDLJEL-UHFFFAOYSA-N 313.756 3.081 10 10 DGCE COc1ccc(N2CC[C@@H](NCc3cccc(C)c3O)C2)cc1 826846167 QHZRQBVDYLYXDT-MRXNPFEDSA-N 312.413 3.078 10 10 DGCE C[C@@H](NC[C@@H]1CCC[C@H]1O)c1ccc(N2CCCCC2)cc1 834905638 JDGNUEHZMJHDJD-HHXXYDBFSA-N 302.462 3.489 10 10 DGCE C[C@H](NC/C=C/c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C 835032970 NDUJPBLULYVZJE-NPQIQWPPSA-N 304.434 3.086 10 10 DGCE CCc1cccc(CN2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1O 848915832 MKJKXHXPXCVEFO-KURKYZTESA-N 303.446 3.470 10 10 DGCE COc1cc(CN[C@@H](C)c2cn[nH]c2)c(O)c(C(C)(C)C)c1 850226602 QVJHUHNBXSRGRX-NSHDSACASA-N 303.406 3.272 10 10 DGCE C[C@H]1CC[C@H](NCc2ccc(N3CCC(O)CC3)cc2)CS1 850406848 WMBRMEYVPDACPB-HOCLYGCPSA-N 320.502 3.021 10 10 DGCE CCO[C@H]1C[C@H](N[C@H](C)c2cc(Br)ccc2O)C1 850514756 QGTLSLVDHYAAAD-YUSALJHKSA-N 314.223 3.373 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)[C@@]3(C)CCC[C@@H]3C)C2)cc1 855226976 RUKGCRQHJRTSGE-DOXZYTNZSA-N 316.445 3.216 10 10 DGCE CC[C@@H](NCCC[C@@H]1CCOC1=O)c1cccc(Cl)c1O 872112332 JCHTWLFMBCFYCX-BXUZGUMPSA-N 311.809 3.430 10 10 DGCE COc1cccc(CN2CCC[C@@H](OC3CCC3)CC2)c1O 872259932 FCGFJLQKWUVMNP-MRXNPFEDSA-N 305.418 3.324 10 10 DGCE CCCN(Cc1cnc2onc(C)c2c1)c1ccc(CN)cc1 894570546 ZKFBJRAKLMYFIX-UHFFFAOYSA-N 310.401 3.407 10 10 DGCE COc1cc(C)cc(CNCC[C@@H]2CC2(Cl)Cl)c1O 895378092 POSNUTVGNQAXFG-LLVKDONJSA-N 304.217 3.383 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@@H]2CCCC[C@@H]2CC(=O)O)cc1 904016484 BNJHVANUWSUTPU-GOVFWEMJSA-N 316.445 3.389 10 10 DGCE Cc1ccc(C(=O)N2C[C@@H]3CC[C@H]2c2ccccc23)c(O)c1O 922540511 LFXPEJFEYPCQKA-LRDDRELGSA-N 309.365 3.481 10 10 DGCE CC[C@@H](NCC[C@@H](N(C)C)C(F)(F)F)c1ccc(F)cc1O 926963147 MNXFMVFQRRQRKP-TZMCWYRMSA-N 322.346 3.455 10 10 DGCE c1cc(N2CCCC2)ccc1CNC[C@@H]1CC[C@H]2C[C@H]1CO2 1119982350 IWQSEXIRFXABGV-LNLFQRSKSA-N 300.446 3.192 10 10 DGCE CC(=O)CC1(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCC1 1138364684 YMTKQSZXTYILFB-AWEZNQCLSA-N 302.418 3.079 10 10 DGCE Cc1ccnc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1C1CC1 1155410175 VFKNDMFPNRIDNZ-CLTKARDFSA-N 310.353 3.331 10 10 DGCE CC(C)[C@@]1(CO)CCN(C/C=C\c2ccc(N(C)C)cc2)C1 1326636961 LCCUILCKNQPZJW-VOFKWLDRSA-N 302.462 3.106 10 10 DGCE CN(C)c1ccc(CNC(=O)c2c(F)ccc3ccncc23)cc1 1350776616 LIFASZIDBZXJBV-UHFFFAOYSA-N 323.371 3.370 10 10 DGCE Cc1cc(CN2CC[C@H](O)[C@@H]3CCCC[C@@H]32)ccc1N(C)C 1473737491 KRYFRZGGVIJHGU-NEWSRXKRSA-N 302.462 3.186 10 10 DGCE CON(C(=O)Cc1cc(C)n(-c2ccccc2)c1C)C(C)C 1545620548 HSFAFUPBBJXPRU-UHFFFAOYSA-N 300.402 3.435 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2cnc(CC(C)C)s2)c1 1557552647 LRQOYHQLXSQWAK-UHFFFAOYSA-N 304.415 3.286 10 10 DGCE COc1ccc(CNC2(CNC(=O)c3ccccc3)CC2)cc1C 1670739196 XGGVEIFISVMSPE-UHFFFAOYSA-N 324.424 3.056 10 10 DGCE Cc1cccc2sc(=Nc3cc([N+](=O)[O-])ccc3O)[nH]c12 1859842915 IEDCNLPXQKYUSN-UHFFFAOYSA-N 301.327 3.384 10 10 DGCE CCCC1=NN(C)C(=O)/C1=C/c1cc(Cl)c(O)c(OC)c1 1865674924 FXJMWLCBVLRNRP-UXBLZVDNSA-N 308.765 3.066 10 10 DGCE C[C@H](CN1CCC(N=[N+]=[N-])CC1)C(=O)OCc1ccccc1 1912207056 IYACURKBXFZFGL-CYBMUJFWSA-N 302.378 3.141 10 10 DGCE CCCN(CCNCc1ccc(N)cc1)C(=O)OC(C)(C)C 1929716443 JVACJAZJXNXXQN-UHFFFAOYSA-N 307.438 3.006 10 10 DGCE NC1(c2cc(I)ccc2O)CCCCC1 1951417325 IJTMHODWWOTRQH-UHFFFAOYSA-N 317.170 3.115 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H](Nc2ccc(N)cc2)C(C)(C)C1 1959376463 ZBERLSCNULBVID-AWEZNQCLSA-N 305.422 3.326 10 10 DGCE C[C@@H](CC[C@H](N)c1ccc(N(C)C)cc1)NC(=O)OC(C)(C)C 1977946799 XOXHHQIPFZWVAG-BBRMVZONSA-N 321.465 3.446 10 10 DGCE CC(C)(C)OC(=O)NC[C@H]1C[C@H]2CC[C@H]1N2c1ccc(N)cc1 1982131955 NBNIUQSYFCBUOX-DAXOMENPSA-N 317.433 3.151 10 10 DGCE CC[C@H](c1ccccc1O)N(OCc1ccccc1)C1CNC1 1982823790 SQMMMUUBAHLLHS-GOSISDBHSA-N 312.413 3.249 10 10 DGCE CC[C@@H](O)CN(Cc1ccccc1)c1ccc2c(c1)CC[C@@H]2O 1986602328 FGAXQMHYJNPHJZ-QUCCMNQESA-N 311.425 3.444 10 10 DGCE C[C@H](N)c1ccc(N2CC(C)(CF)C2)cc1Br 2008692759 YDKPULLLHXNEBW-VIFPVBQESA-N 301.203 3.265 10 10 DGCE C[C@@H](F)[C@@H]1CCCN1c1ccc(CO)c(Br)c1 2010502877 YHHSFYAZNOJQJQ-RNCFNFMXSA-N 302.187 3.268 10 10 DGCE CC(F)(F)CS(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1 2027519553 DRPOMZKFQYFNSF-UHFFFAOYSA-N 320.144 3.096 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)c2ccoc2Br)CC1 2038002686 OIEBCVUYJPPQGJ-QMMMGPOBSA-N 313.155 3.347 10 10 DGCE CC1(C)[C@H]2CC[C@](C)(C2)CN1C(=O)Cc1ccc(O)c(O)c1 2062977075 GYOWSSMMXIRYJV-SCLBCKFNSA-N 303.402 3.068 10 10 DGCE Oc1ccc(C(F)(F)F)cc1Cn1cc(Br)cn1 2069909601 IZEXVYMJLDIECE-UHFFFAOYSA-N 321.096 3.418 10 10 DGCE CCc1nn([C@@H](c2cc(C)c(C)cc2O)C2CCC2)c(N)c1N 2079957710 LXHIVHVMALJMPC-QGZVFWFLSA-N 314.433 3.322 10 10 DGCE C[C@](O)(c1cccc(Br)c1)[C@H](N)c1ccccc1O 2091867145 KOFANYWDLBMRLD-CABCVRRESA-N 322.202 3.062 10 10 DGCE CN[C@@H](C)c1ccc(N(C)Cc2ccon2)cc1Br 2104162235 VKKZSJUDRXWSDS-JTQLQIEISA-N 324.222 3.354 10 10 DGCE CCCN[C@@H](c1ccccc1O)[C@@H](O)c1ncc(Cl)s1 2148161781 HEXTZIGEMVNWQN-QWHCGFSZSA-N 312.822 3.276 10 10 DGCE O=C(O)C=Cc1ccc(N2Cc3ncsc3C2)cc1Cl 2201419773 NFVAJGYAWXVUKA-UHFFFAOYSA-N 306.774 3.415 10 10 DGCE CC=C(C)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 2297824547 LTCCUHFBCIKOFQ-ZDUSSCGKSA-N 324.371 3.339 10 10 DGCE COc1ccc2c(c1)N(C(=O)C=Cc1cncc(C)c1)C[C@H](C)O2 2302389014 LWZDJAGUYKLCML-AWEZNQCLSA-N 324.380 3.226 10 10 DGCE CO[C@H](C)c1cccc(NC(=O)C=Cc2ccc(O)c(O)c2)c1 2307986909 MQBAAZPIPBNNLK-GFCCVEGCSA-N 313.353 3.457 10 10 DGCE Cc1ccc(CN[C@H]2CCO[C@H](C)C2)c(O)c1Br 2327612822 PJAADTSVJRWNFT-PWSUYJOCSA-N 314.223 3.120 10 10 DGCE CNCCC[C@H](C)N(C)c1c(Cl)cc(OC)cc1OC 2368291411 WIZSACCZFUBASF-NSHDSACASA-N 300.830 3.182 10 10 DGCE CSc1ncc(CN[C@]2(C(=O)O)CC[C@H](C)[C@H](C)C2)s1 2371773115 JRWZOGFLMVCCRL-IMSIIYSGSA-N 314.476 3.234 10 10 DGCE CCCNC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 53010787 WEMVCOMCHLDVAN-GFCCVEGCSA-N 302.340 3.411 10 10 DGCE CCC1(C(=O)N[C@H](C)[C@@H](C)NCc2ccc(OC)c(C)c2)CC1 1282184377 JDWOUNFKIHNGMM-HUUCEWRRSA-N 318.461 3.177 10 10 DGCE COc1ccc(O)c([C@@H](C)N(CCCN)Cc2ccccc2)c1 303984423 DNSYMDVNWJYVAI-OAHLLOKOSA-N 314.429 3.313 10 10 DGCE COC(=O)c1cc(NCc2ccc(O)c(O)c2)ccc1Cl 36918898 ZJTVUXNNDNCXHJ-UHFFFAOYSA-N 307.733 3.150 10 10 DGCE COc1ccccc1[C@H](O)CN[C@H](C)c1cc(C)ccc1O 185096627 LMPUZCKJBFFBRX-CXAGYDPISA-N 301.386 3.093 10 10 DGCE C[C@H](N[C@@H]1CCCC[C@@H]1O)c1ccc(Br)cc1O 185445226 GWUJUYTWSHUPNN-BIMULSAOSA-N 314.223 3.109 10 10 DGCE c1ccc(CNC[C@H]2CCN(c3ccc4c(c3)OCO4)C2)cc1 76439879 XTMXXNROFZQDPR-MRXNPFEDSA-N 310.397 3.031 10 10 DGCE Cc1ccc([C@@H](C)NCC[C@@H]2C(=O)Nc3ccccc32)c(O)c1 185879343 HDKPTELCBCGYIV-CJNGLKHVSA-N 310.397 3.477 10 10 DGCE C[C@@H]1SCCN(c2ccc(CN)cc2Br)[C@@H]1C 132160425 NXNLSPDBCQGNHB-ZJUUUORDSA-N 315.280 3.238 10 10 DGCE COc1ccc(N(C)Cc2cc(C(N)=S)ccc2F)cc1 49969819 JWCULNKZMJAKQY-UHFFFAOYSA-N 304.390 3.105 10 10 DGCE C[C@](NCCN=[N+]=[N-])(C(=O)O)c1ccc(Cl)c(Cl)c1 90256421 NLSQEHHFINZZCS-LLVKDONJSA-N 303.149 3.193 10 10 DGCE CC(=O)N(C(=O)Oc1cc(F)ccc1F)c1ccc(N)cc1 243340724 LSSHPPHLTWVMJU-UHFFFAOYSA-N 306.268 3.099 10 10 DGCE C[C@H](CCN[C@H]1CCc2cccc(O)c21)NC(=O)OC(C)(C)C 297127002 YUWSGZFQOUBFCK-OCCSQVGLSA-N 320.433 3.272 10 10 DGCE O=C1OCCN1c1ccc(CN[C@@H]2CCc3cccc(O)c32)cc1 296331886 GKDZSHGNRAMHHU-MRXNPFEDSA-N 324.380 3.126 10 10 DGCE COCc1ccc(COC(=O)/C=C/c2ccc(O)c(O)c2)cc1 815222086 LWAUOORGHAVMAW-VQHVLOKHSA-N 314.337 3.001 10 10 DGCE COC(=O)/C=C\c1ccc(N2CCC[C@H]2C2CC2)c([N+](=O)[O-])c1 728566512 HQDSOKVUAKSTPL-UQYHUFHVSA-N 316.357 3.160 10 10 DGCE O=C(NCc1ccc(N2CCCCC2)cc1)C1(C(F)F)CC1 843776059 IVOCGKTUCFXOOP-UHFFFAOYSA-N 308.372 3.338 10 10 DGCE CCC1CCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])CC1 917091125 KJJUNJSUCWZWHO-FNORWQNLSA-N 318.373 3.407 10 10 DGCE CCc1cccc(CN2CCN(C(=O)CC(C)(C)C)CC2)c1O 848881499 OWPRCVWGZUVBNU-UHFFFAOYSA-N 318.461 3.035 10 10 DGCE C[C@H](NC[C@@]1(CO)CCc2ccccc21)c1cc(F)ccc1O 846181531 ZSNPFQUZOGGCIL-ORAYPTAESA-N 315.388 3.058 10 10 DGCE CCOC(=O)C1=CC[C@H](N[C@@H](C)c2ccc(C)c(C)c2O)C1 858505898 CDLUQKAJSZPTGV-ZFWWWQNUSA-N 303.402 3.312 10 10 DGCE CN1CCCc2cc(CNC(=O)NC3CC(C)(C)C3)ccc21 852699467 NWHYTYIZGDMAFZ-UHFFFAOYSA-N 301.434 3.057 10 10 DGCE C[C@@H](CC(=O)NCCCSc1nccs1)C(F)(F)F 859353065 ZJLZRAYJQVQFKH-QMMMGPOBSA-N 312.382 3.330 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)NCC[C@@H]2CCCS2)c1 868977313 ORPBVRSUZWNUHV-AAEUAGOBSA-N 324.446 3.047 10 10 DGCE CC(C)(C)c1cc(O)c(O)c(CN2CCOCC3(CC3)C2)c1 782299982 HYZMIGREWFUZQX-UHFFFAOYSA-N 305.418 3.008 10 10 DGCE CC(C)(C)C1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 897946935 ZWNLGWWGXQFIFN-UHFFFAOYSA-N 305.399 3.431 10 10 DGCE Cc1cc(/C=C/C(=O)N2CCO[C@@H](C)C2)c(C)n1-c1ccccc1 1087009292 CTFRSMOMXHNBEG-SCOAYWHSSA-N 324.424 3.355 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1CCN(CCCN=[N+]=[N-])C1(C)C 1962288338 VAWWLZBVEMUDID-LBPRGKRZSA-N 311.430 3.312 10 10 DGCE CCC(F)(F)CNCc1cc(Br)cc(F)c1O 715818674 PPWJQBWOXFXKSC-UHFFFAOYSA-N 312.129 3.429 10 10 DGCE C[C@H](O)c1ccc(N(C)CCn2cccc2)c(Br)c1 2115198429 ZJQHVDMNEUEOOO-LBPRGKRZSA-N 323.234 3.440 10 10 DGCE CO[C@@H](C)CCC(=O)N(C)Cc1ccc(N2CCCC2)cc1 1531694415 RTFUBXUIBCZCEV-HNNXBMFYSA-N 304.434 3.060 10 10 DGCE CC[C@@H]1[C@@H](Sc2nccs2)CC[C@@]1(CO)NC(C)C 2122619570 VFNXKFHFESKKIT-DYEKYZERSA-N 300.493 3.153 10 10 DGCE CN(Cc1ccccc1O)C(=O)[C@@H](O)C1CCCCCCC1 1629955007 NLKFIZVGWPDQFL-KRWDZBQOSA-N 305.418 3.072 10 10 DGCE C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1c(F)cccc1Cl 1566233420 CDJBITNDOYHWIO-VIFPVBQESA-N 323.751 3.310 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2csc(-c3ccco3)n2)c1 1645801013 ZLZVDHHETPRTLL-UHFFFAOYSA-N 314.366 3.347 10 10 DGCE CO[C@H]1C[C@@H](NCc2cc(Cl)cc(C(C)=O)c2O)C1(C)C 1658693055 JDDFDYLAPGHBIE-KGLIPLIRSA-N 311.809 3.151 10 10 DGCE CC[C@@H](Nc1cnn(C)c1)c1cc(Br)ccc1O 35737714 HUIFVQMQVWYRCQ-GFCCVEGCSA-N 310.195 3.451 10 10 DGCE COCCN1C(=O)/C(=C\c2ccc([C@H]3C[C@H]3C)o2)SC1=S 12782329 GWUFRYMJIBXDTF-QMNRKCHLSA-N 323.439 3.251 10 10 DGCE Cc1ccc(C)n1[C@@H](CC(=O)N1CCC1)c1ccc(F)cc1 1851586676 OKDUPTQDGXCOGC-KRWDZBQOSA-N 300.377 3.456 10 10 DGCE COc1cc(NN=NCc2ccc3c(c2)OCO3)cc(OC)c1 1860493758 BJDPUVSZDUQGIU-UHFFFAOYSA-N 315.329 3.412 10 10 DGCE CCCN1N=C(C(F)(F)F)/C(=C/c2ccccc2OC)C1=O 1865679562 UBJORDGRCYOOKL-LUAWRHEFSA-N 312.291 3.249 10 10 DGCE Oc1c(F)cc(Br)cc1CN[C@@H]1C2C[C@@H]3C1[C@@H]3C2 1916948568 UHGHLKZGLKIPIJ-UZYXJQFOSA-N 312.182 3.038 10 10 DGCE CN1CC[C@H](CN(C)Cc2cc(Cl)cc(Cl)c2O)C1 211490707 QDILRABSCUVJGD-JTQLQIEISA-N 303.233 3.083 10 10 DGCE CC(C)(C)OC(=O)Nc1cccnc1[C@H](N)c1ccccc1O 1936975029 MMUWYWNIFPLFNO-CQSZACIVSA-N 315.373 3.182 10 10 DGCE N[C@H]1C(=O)Nc2cc(N(Cc3ccccc3)CC3CCC3)ccc21 1946900378 UHEZDEHNMRPEHW-LJQANCHMSA-N 321.424 3.445 10 10 DGCE C[C@H](N)c1cnc(Sc2ncccc2Br)s1 1976526414 UQHXAKBLBBFXPO-LURJTMIESA-N 316.249 3.472 10 10 DGCE CCN(CC[C@@H](O)c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C 1977939566 QZIAKAGCZUGJCV-MRXNPFEDSA-N 322.449 3.433 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN1Cc1ncc(Br)s1 1984484875 BHGQBDNLCQNYRM-ZETCQYMHSA-N 302.201 3.180 10 10 DGCE C[C@@H](N)c1ccc(N(C)CP(C)(C)=O)cc1Br 2021448060 ZURAOWRYTCYLPW-SECBINFHSA-N 319.183 3.485 10 10 DGCE CC1=C(Br)CN(c2ccc(CN)c(F)c2F)CC1 2034763149 GMVRNZPBUBVISJ-UHFFFAOYSA-N 317.177 3.303 10 10 DGCE C[C@@H](N)c1ccc(N(C)[C@H]2CCCOC2)c(Br)c1 401503705 IZBJUXBSVKOUBM-PWSUYJOCSA-N 313.239 3.084 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)C(C(F)(F)F)C(F)(F)F)C1 403736247 OIWNTPIAWWVWOQ-YFKPBYRVSA-N 304.194 3.029 10 10 DGCE CP1(=O)CCN(c2ccc(CO)cc2C(F)(F)F)CC1 2171996338 NWURCSSCQSOBQI-UHFFFAOYSA-N 307.252 3.011 10 10 DGCE Cc1ccc(O)c(CNC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c1 715142798 WYGYHZTYRBQYSZ-OTVXOJSOSA-N 320.433 3.094 10 10 DGCE CN(c1ccc(CO)c(Br)c1)C1(C(F)(F)F)CC1 720367374 UKXWEFYRHQKWPI-UHFFFAOYSA-N 324.140 3.473 10 10 DGCE Cc1nn(Cc2cc(Br)ccc2O)c(N)c1C1CC1 2079599894 HGXIFFYVEUPIDX-UHFFFAOYSA-N 322.206 3.168 10 10 DGCE COc1ccc(Cn2nc(C3CC3)c(C(C)C)c2N)c(O)c1 2079835029 WVDNGTKDGXPPIR-UHFFFAOYSA-N 301.390 3.229 10 10 DGCE CN[C@H](C)c1ccc(N2C[C@@H](OC)C[C@@H]2CF)c(Cl)c1 2190233410 VKUPMISHLGLAET-RTXFEEFZSA-N 300.805 3.184 10 10 DGCE CN(Cc1ccccc1O)c1cccc(Cl)c1C(N)=S 2192568610 XQMKYOCEKLPNFY-UHFFFAOYSA-N 306.818 3.316 10 10 DGCE C[C@H](N)c1ccc(N(C)C[C@]2(C)CSCCO2)cc1Cl 2201254915 PIOAYAIGDRMEID-XHDPSFHLSA-N 314.882 3.318 10 10 DGCE O=C(C=Cc1ccc(Cl)cc1)NCc1ccc(O)c(O)c1 2301404179 UDUKLBDNOAUPJU-UHFFFAOYSA-N 303.745 3.081 10 10 DGCE Cc1cc(O)cc(C)c1NS(=O)(=O)c1cccc(Cl)c1 1256795663 HXHSOIBEYIUUAF-UHFFFAOYSA-N 311.790 3.463 10 10 DGCE COC(=O)c1ccc(N=Nc2c(C(=O)O)nc3ccccn23)cc1 2320767587 JBUDHNUPWJBNCS-UHFFFAOYSA-N 324.296 3.235 10 10 DGCE CCC1=NN(CC(C)C)C(=O)C1=Cc1cccc([N+](=O)[O-])c1 2332134659 VIKOTPWITRGZRY-UHFFFAOYSA-N 301.346 3.242 10 10 DGCE CC(C)c1cccc(NS(=O)(=O)Cc2ccc(N)cc2)c1 20475569 ADBOYKMTMQYECX-UHFFFAOYSA-N 304.415 3.334 10 10 DGCE O=[N+]([O-])c1cnc(Sc2nnc(C(F)(F)F)s2)s1 60220309 FDXQGDXHSQUFNZ-UHFFFAOYSA-N 314.295 3.073 10 10 DGCE COc1ccc2c(c1)NC1(CCC(C)CC1)CN2CC(N)=S 75280976 OBBLDKMECFQWGP-UHFFFAOYSA-N 319.474 3.162 10 10 DGCE COc1ccc(N(C)Cc2nnc(C)n2C2CC2)cc1Cl 121844192 IAMBZBXKGOGCHU-UHFFFAOYSA-N 306.797 3.220 10 10 DGCE C[C@@H]1SCCN(c2c(F)cc(/C=C/C(=O)O)cc2F)[C@H]1C 133341402 QAMJEKCEZFEAGU-OHINUGQQSA-N 313.369 3.393 10 10 DGCE COc1cccc(CNC(=O)/C=C/c2cc3ccccc3o2)c1O 155380586 TXRBKFCWPYENKY-MDZDMXLPSA-N 323.348 3.477 10 10 DGCE C[C@H]1CC[C@@H](C)CN1C(=O)NCc1ccc(N2CC=CC2)cc1 173291345 NZUDCZYZBHJJPG-CVEARBPZSA-N 313.445 3.393 10 10 DGCE Cc1cc(Cl)cc(CNC[C@@H](c2ccco2)N(C)C)c1O 181617233 KBWVUUCPQYTJOZ-AWEZNQCLSA-N 308.809 3.340 10 10 DGCE CCN(CC)c1ccc(CN[C@@H]2C[C@H]3OCCC[C@H]23)cc1F 187188401 WDEGRKAXSSNZKU-QGPMSJSTSA-N 306.425 3.329 10 10 DGCE Oc1ccc(Br)cc1CNCCOC1CCCC1 227441558 APPLGZHHRUXGBC-UHFFFAOYSA-N 314.223 3.204 10 10 DGCE CCN(Cc1cc(-c2cnn(C)c2)no1)c1ccc(OC)cc1 274396928 IVXQYUWIJCXUFU-UHFFFAOYSA-N 312.373 3.110 10 10 DGCE Cn1cc2c(n1)CCC[C@H]2NCc1cc(Cl)c(F)cc1O 294764489 SILMEDSWXCROCO-CYBMUJFWSA-N 309.772 3.085 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1cnc(C2CC2)nc1 295367241 WLVDBTCEQYRWDK-UHFFFAOYSA-N 311.385 3.112 10 10 DGCE COC(=O)/C=C/c1ccc(N2CCCC(C)(C)C2)c([N+](=O)[O-])c1 301221386 BORRHUJDOQWJJG-SOFGYWHQSA-N 318.373 3.407 10 10 DGCE O=C(O)/C=C/c1ccc(N2C[C@H]3CC[C@H]3C2)c(Br)c1 688353057 VVVMPSGBELJAIZ-OUHYUALJSA-N 322.202 3.393 10 10 DGCE C[C@@H](OC(=O)c1cc(O)cs1)c1nnc(-c2ccccc2)o1 731909133 ASTRLYSKCIZHDY-SECBINFHSA-N 316.338 3.422 10 10 DGCE CC[S@](=O)CCN[C@H](C)c1ccc(N2CCCCCC2)cc1 765946441 RDZBUQFRGQNUED-ZHRRBRCNSA-N 322.518 3.486 10 10 DGCE Cc1oc(C2CC2)nc1C(=O)NCCCSc1nccs1 796422948 XSYIMLRQXQXOCE-UHFFFAOYSA-N 323.443 3.229 10 10 DGCE COc1ccc(O)c([C@H](C)NCc2ccc([C@H](C)N)cc2)c1 817963817 VRECOSXHLSEVFL-STQMWFEESA-N 300.402 3.271 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[C@@H]2C[C@H]2C1 828494311 BZYAYCMXBWMRPH-IXDOHACOSA-N 315.461 3.473 10 10 DGCE CCc1cccc(CN[C@@H](C)Cc2c(C)nn(C)c2C)c1O 848897413 IJTUCKBOWOBTFV-LBPRGKRZSA-N 301.434 3.026 10 10 DGCE C[C@]1(CCNCc2ccc(N3CCOCC3)cc2)CC1(F)F 850380267 CXLUEPLIRIDGQP-INIZCTEOSA-N 310.388 3.048 10 10 DGCE C[C@@H](NC(=O)[C@]1(C)C=CCC1)c1ccc(N2CCOCC2)cc1 930745221 UCNWTHDYUCEEHO-DNVCBOLYSA-N 314.429 3.057 10 10 DGCE CO[C@@]1(C)C[C@H]1NC(=O)c1cc(C)n(-c2ccccc2C)c1C 1167571284 QVJGGPMTZRLIGJ-MJGOQNOKSA-N 312.413 3.310 10 10 DGCE CC(C)[C@@](C)(Cc1ccccc1)NC(=O)c1cccc(O)c1O 1171557306 OZNVRNAUNLFAKK-LJQANCHMSA-N 313.397 3.485 10 10 DGCE CN1CCCc2cc(CNC(=O)[C@H]3CCC[C@H](F)C3)ccc21 1325880210 STLSUWCTJUTRNJ-HOTGVXAUSA-N 304.409 3.214 10 10 DGCE CC[C@@H](CC(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1458039141 HSPNCRPPQCSIIQ-INIZCTEOSA-N 318.461 3.416 10 10 DGCE O=C(NCc1ccc(O)c(O)c1)c1ccc(Cl)c2occc12 1465953293 DQDFZJGDDQVILX-UHFFFAOYSA-N 317.728 3.427 10 10 DGCE C[C@H](NC(=O)[C@@H](O)c1ccc(Cl)cc1F)c1ccccc1O 1471194193 FKSIJACMCPCPRU-VFZGTOFNSA-N 323.751 3.096 10 10 DGCE CC(C)[C@@H](C(=O)NCc1c(O)cccc1O)c1ccc(F)cc1 1472063000 BMVYPUGNWQZAQJ-QGZVFWFLSA-N 317.360 3.293 10 10 DGCE COc1cccc(CNC(=O)NCC[C@@H]2CCCC2(C)C)c1O 1479016675 DEEBWFDSEXPUKD-AWEZNQCLSA-N 320.433 3.416 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)c1cccc(Cl)c1N 1565702138 VFMNDEDILGVSAR-UHFFFAOYSA-N 317.820 3.227 10 10 DGCE Cc1cc(CN(C2CC2)C2COC2)ccc1N1CCCCC1 1618122878 QTRQETHFZZECEB-UHFFFAOYSA-N 300.446 3.349 10 10 DGCE C[C@H](NCc1cccc(Br)n1)c1ccccc1O 1620504851 CUHDLNVAKQQUEE-JTQLQIEISA-N 307.191 3.401 10 10 DGCE CC(C)OCc1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 1625559991 ODNOXCYCWXWITE-UHFFFAOYSA-N 315.369 3.204 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)NC[C@]12CCCC[C@@H]1C2 1638438110 UBASNWSTUALNMP-MLGOLLRUSA-N 308.809 3.425 10 10 DGCE C[C@H](N[C@H](C)C(=O)Nc1c(F)cccc1F)c1ccccc1O 1655349830 VBBPRCSMGRMUIS-WDEREUQCSA-N 320.339 3.348 10 10 DGCE Cc1ccc(NC(=O)CNCc2cc(Cl)ccc2O)cc1C 1857857477 AKSVZCMFUHIEOT-UHFFFAOYSA-N 318.804 3.391 10 10 DGCE Cc1cccc(/N=N/N2CCN(C(=O)c3ccco3)CC2)c1C 1860481936 AWIMJZIJKXUEGG-VHEBQXMUSA-N 312.373 3.353 10 10 DGCE Cc1c(C=O)cc(I)cc1CN=[N+]=[N-] 1887519869 KQISGFVWWDJWOK-UHFFFAOYSA-N 301.087 3.222 10 10 DGCE CO[C@@H]1CCN(c2ccc([C@H](C)N)c(Br)c2)[C@H]1C 1914273401 YMJJMWCBXURRMN-PKFCDNJMSA-N 313.239 3.082 10 10 DGCE CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)[C@@H](N)c1ccccc1O 1928477312 RZRVAULCUBSEFG-UGFHNGPFSA-N 308.422 3.331 10 10 DGCE CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H](NC)c1ccccc1O 1928480283 GSANMMLPHYGREJ-DOMZBBRYSA-N 308.422 3.298 10 10 DGCE OCc1ccc(N2CCCC[C@@H](F)C2)c(Br)c1 1946903018 FPTOLHUNLNHIOI-LLVKDONJSA-N 302.187 3.270 10 10 DGCE [N-]=[N+]=NCCCCNC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 1963732668 QLEPTSCPNWKNSB-MRXNPFEDSA-N 315.421 3.105 10 10 DGCE Oc1c(Br)cccc1CNC[C@@H]1C(F)(F)C12CC2 1974194920 BBLAZPHQWIHQFB-JTQLQIEISA-N 318.161 3.290 10 10 DGCE C[C@H](CO)N(Cc1ccccc1)c1ccc2c(c1)CCC[C@H]2O 1986601571 WOMPHINJYUGVGC-FOIQADDNSA-N 311.425 3.444 10 10 DGCE C[C@@H](CO)N(Cc1ccccc1)c1ccc2c(c1)CCC[C@H]2N 1986601957 ZDOPLLOOOLYTGW-MGPUTAFESA-N 310.441 3.410 10 10 DGCE CN[C@H]1CCc2cc(N(Cc3ccccc3)[C@H](C)CO)ccc21 1986607631 XEOVUPLUAVPBIG-QRWLVFNGSA-N 310.441 3.281 10 10 DGCE CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)NCc1cccc(C)c1O 1994450146 PSCPMAWFACWVMK-ZFWWWQNUSA-N 322.449 3.482 10 10 DGCE CN(Cc1cc(Br)sn1)Cc1ccccc1O 2024827909 ULCPBEXHFJNQTP-UHFFFAOYSA-N 313.220 3.243 10 10 DGCE Cc1ccc(Br)c([C@H](NN)c2ccccc2O)c1 2029554683 BPXFIWPPZYVYDM-CQSZACIVSA-N 307.191 3.016 10 10 DGCE CCNCc1ccc(N2C[C@H]3C[C@]3(C)C2)c(Br)c1 2035041625 VDEDBUHMFSHMJU-IUODEOHRSA-N 309.251 3.405 10 10 DGCE C[C@@H](O)c1ccc(N(C)[C@@]2(C)CCOC2)c(Br)c1 2055448144 JQEYRWSZWGQBNQ-YGRLFVJLSA-N 314.223 3.118 10 10 DGCE COc1ccc([C@@H](C)n2nc(C(C)C)cc2CN(C)C)c(O)c1 2070133660 GVVYYKXNAMGTCU-CYBMUJFWSA-N 317.433 3.392 10 10 DGCE CSc1cnn(Cc2ccc(C)cc2O)c1Br 2070247009 PPAXCVOLZILUSF-UHFFFAOYSA-N 313.220 3.430 10 10 DGCE Nc1c(Cl)nn(Cc2cc(F)ccc2O)c1C(F)(F)F 2079208627 URCQOADGKMKINF-UHFFFAOYSA-N 309.650 3.031 10 10 DGCE Cc1c(Br)cccc1CNCc1cccc(O)c1O 2087357036 ICVGWWWATVZTMB-UHFFFAOYSA-N 322.202 3.459 10 10 DGCE CC[C@]1(N)CCCN(Cc2cc(Cl)cc(Cl)c2O)C1 2087766026 KPKFADDISRYVRW-AWEZNQCLSA-N 303.233 3.402 10 10 DGCE COc1ccc(Br)c(CNC2(C)CC(C)C2)c1O 2220455162 XIGBSCHROBSZPF-UHFFFAOYSA-N 314.223 3.442 10 10 DGCE CN(Cc1cc(Cl)cc(Cl)c1O)[C@@H]1CNCC1(C)C 2274228829 ZSXDDHYQILKJRH-GFCCVEGCSA-N 303.233 3.129 10 10 DGCE Cc1cc(O)ccc1CNCc1c(O)cccc1Br 2279002316 QMCMDZIBIYMASK-UHFFFAOYSA-N 322.202 3.459 10 10 DGCE Cc1ccc(CN[C@H]2CS[C@H](C)C2)c(O)c1Br 2307477296 KZMHFKCYFHHPRI-MWLCHTKSSA-N 316.264 3.447 10 10 DGCE OCc1ccc(N2C[C@@H]3C[C@H]2C(F)(F)C3)c(Br)c1 2308474332 AKFIWQGBNPAFSI-SKDRFNHKSA-N 318.161 3.175 10 10 DGCE CN(C[C@H]1CC[C@@H]2C[C@H]12)c1ccc(CO)c(Br)c1 2308629341 YYHWZKYKSUBNAZ-GYSYKLTISA-N 310.235 3.424 10 10 DGCE CSc1ncc(CN[C@]2(C(=O)O)CCC[C@@H](C)CC2)s1 2374453398 AXVRRQCOLHPZOC-QMTHXVAHSA-N 314.476 3.378 10 10 DGCE CCN(CC)c1ccc(NC(=S)NCc2ccccn2)cc1 6386969 AIAPWORAOVMYAN-UHFFFAOYSA-N 314.458 3.414 10 10 DGCE Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Sc1nccs1 52914305 DGJUXVCQVKKYQP-VIFPVBQESA-N 323.399 3.479 10 10 DGCE CN(Cc1ccccc1O)C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 109088333 HWEKWUKTUMHKKS-KBPBESRZSA-N 317.335 3.433 10 10 DGCE C[C@@H]1Cc2ccccc2[C@H]1NC(=O)N(C)Cc1ccccc1O 111900051 DDUXXXFPXFBJQY-ACJLOTCBSA-N 310.397 3.467 10 10 DGCE Nc1ccc(Nc2c(Cl)cnn(CC3CCC3)c2=O)cc1 159314377 BBESNYODQWUQAA-UHFFFAOYSA-N 304.781 3.023 10 10 DGCE CC(C)NCc1ccc(N2CCC[C@H]2CN(C)C)c(Cl)c1 164054316 KCKHUCRYPXYYFC-HNNXBMFYSA-N 309.885 3.368 10 10 DGCE C[C@@H](NCc1ccc(NC(N)=O)cc1)c1ccc(F)c(F)c1O 191196739 SDOGCWFTKNKHFJ-SECBINFHSA-N 321.327 3.012 10 10 DGCE CCCO[C@@H]1CCCN(Cc2cc(Cl)cc(OC)c2O)C1 228631084 OFPJRUKVKFOVAA-CQSZACIVSA-N 313.825 3.445 10 10 DGCE c1ccc(CN2CCC[C@H]2CNCc2ccc3c(c2)CCO3)cc1 236583065 YOBCSFDQYYVPHN-FQEVSTJZSA-N 322.452 3.376 10 10 DGCE CC(C)(C)OC(=O)N1CCCCCC[C@H]1[C@H]1CCCC(=O)C1=O 300830406 CGBBIZJKDWTNRU-KGLIPLIRSA-N 323.433 3.495 10 10 DGCE C[C@@H]1CN(Cc2ccccc2)C[C@H]1NCc1cc(F)ccc1O 389836461 KLYJJEKEBPWQJY-RDTXWAMCSA-N 314.404 3.141 10 10 DGCE C[C@@H](N)c1ccc(N2CCC(F)CC2)cc1Br 689404776 DUDYWMMDUFYADP-SECBINFHSA-N 301.203 3.407 10 10 DGCE Nc1ccc2c(c1)CN(Cc1ccc(Br)cc1O)C2 691384459 CCQNMJNWMOZEGG-UHFFFAOYSA-N 319.202 3.253 10 10 DGCE CCc1cccc(CNCc2ccn(Cc3ccccc3)n2)c1O 691434557 BSQGOLBWXGRTNB-UHFFFAOYSA-N 321.424 3.489 10 10 DGCE Oc1ccc2ccccc2c1CN[C@@H]1CCCC2(C1)OCCO2 715669858 JPPBTVAKCQGSER-OAHLLOKOSA-N 313.397 3.321 10 10 DGCE CC(=O)CCN(C)C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 765450311 IAXGQGHNLWDKSE-UHFFFAOYSA-N 316.376 3.284 10 10 DGCE C[C@H](NCCc1cnc(C2CC2)nc1)c1ccc(N(C)C)cc1 773107537 XEYDABVMLORIQN-AWEZNQCLSA-N 310.445 3.313 10 10 DGCE Cc1cc(C(=O)NN2CCCC2)c(C)n1-c1cccc(Cl)c1 773406864 ATYUDBPKVYBLCG-UHFFFAOYSA-N 317.820 3.488 10 10 DGCE CCCN(CCC)c1ccc(CNC[C@H](O)C(F)(F)F)cc1 788978606 VRTLMXNZKOAKBI-HNNXBMFYSA-N 318.383 3.326 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)OCc2ncccn2)cc1 791292620 WQDJAEYWBTVHSG-UHFFFAOYSA-N 307.353 3.241 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)Nc1ccnnc1C 801709407 OWQULNJQUOSBDB-UHFFFAOYSA-N 314.389 3.325 10 10 DGCE CC1(C)CN(Cc2cc3c(cc2O)CCC3)[C@H]1[C@@H]1CCCO1 811778267 LDVMLJAVNVRNMM-ROUUACIJSA-N 301.430 3.270 10 10 DGCE COc1ccc2c(c1)N(C(=O)/C(C)=C/c1cccnc1)C[C@H](C)O2 846888208 GUYLULXEYVLJBL-SSUFTNFISA-N 324.380 3.308 10 10 DGCE CN(C)c1cc(F)c(CN2CCC[C@@H]([C@H]3CCOC3)C2)cc1F 862253100 IQZWHLUSIDGSKW-KGLIPLIRSA-N 324.415 3.279 10 10 DGCE Cc1ccc(C(=O)NC2CCC(OC(C)(C)C)CC2)c(O)c1O 870491609 VPGSOIBJEWIZLR-UHFFFAOYSA-N 321.417 3.262 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@@H]2CCNCC(C)(C)C2)cc1 872253977 NZXYKJPCSQKHCU-KEGWNNHHSA-N 301.478 3.134 10 10 DGCE CCc1noc([C@@H]2CC[C@H](N[C@@H](C)c3ccccc3O)C2)n1 927050915 VSGSEMHXCOOTQY-XQQFMLRXSA-N 301.390 3.325 10 10 DGCE Cc1cc(F)c(CC(=O)N(C)Cc2ccccc2O)cc1F 1137345727 UYNKFIQAYSBZNO-UHFFFAOYSA-N 305.324 3.180 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1n[nH]c2c1CCCC2 1179030070 YVVLHUYILIBZOL-UHFFFAOYSA-N 321.380 3.077 10 10 DGCE C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)c2ccccc2O1 1293577648 NTQQJVPINIJOLD-NSHDSACASA-N 324.340 3.277 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@]1(C)CC1(C)C 1312883733 DPRWUTUKOJPVJO-LIRRHRJNSA-N 317.477 3.480 10 10 DGCE C[C@]12COC[C@@]1(C)CN(Cc1ccc(N3CCCC3)cc1)C2 1350594170 PVCFBZZAABLGCD-KDURUIRLSA-N 300.446 3.145 10 10 DGCE CCCCc1cc(NC(=O)c2ccc(N=NC(N)=O)cc2)n[nH]1 1557249567 ZJXQRAKZDSEEHH-UHFFFAOYSA-N 314.349 3.167 10 10 DGCE COc1cccc(C(F)(F)C(=O)N2Cc3cccc(O)c3C2)c1 1558035280 FNYLYTFMUCSQFI-UHFFFAOYSA-N 319.307 3.035 10 10 DGCE O=C(NCc1ccc(N2CCCC2)cc1)c1cccc2nc[nH]c12 1624321938 JFHWDWUVAREEHH-UHFFFAOYSA-N 320.396 3.093 10 10 DGCE COC(=O)c1cc(OCc2cccc(F)c2)ccc1N(C)C 1652165359 RSTVMVQVEOGXMW-UHFFFAOYSA-N 303.333 3.257 10 10 DGCE Oc1cccc(O)c1CNc1cc(Cl)nc([C@H]2CCCO2)n1 1652267322 NRRVMNHCXCOGTD-GFCCVEGCSA-N 321.764 3.005 10 10 DGCE COc1ccc2c(c1)c(/C=C1/SC(=S)N(C)C1=O)cn2C 1858590281 HPZCDPJAQBYISO-AWNIVKPZSA-N 318.423 3.018 10 10 DGCE COc1ccc(/N=N/N2CCN(C(=O)OC(C)(C)C)CC2)cc1 1860482315 GDKDTVLVMVKOCB-ISLYRVAYSA-N 320.393 3.247 10 10 DGCE CCN=NNc1cc(OCC)c(N2CCOCC2)cc1OCC 1860491169 JPAXSTQUJNXOJI-UHFFFAOYSA-N 322.409 3.120 10 10 DGCE CN[C@H](c1ccccc1O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C 1895491749 UXZKZIRMSYFHEQ-XNRPHZJLSA-N 320.433 3.156 10 10 DGCE [N-]=[N+]=NCC1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 1912147950 NBNFJEZPQTXPCF-UHFFFAOYSA-N 314.798 3.051 10 10 DGCE CN[C@@H](CCCN(C)C(=O)OC(C)(C)C)c1ccccc1O 1928468885 BFZWWKPHZAPVNL-AWEZNQCLSA-N 308.422 3.300 10 10 DGCE CC(C)[C@@H](C[C@@H](N)c1ccccc1O)NC(=O)OC(C)(C)C 1928471949 MUJIKLSBTJRPLG-ZIAGYGMSSA-N 308.422 3.331 10 10 DGCE CC(C)(C)OC(=O)N1CCCCCC[C@@H]1[C@@H]1CCC(=O)C1=O 1932573412 JOTBQPIZQADJKX-QWHCGFSZSA-N 309.406 3.104 10 10 DGCE CC(C)(C)OC(=O)NCC1([C@H](N)c2ccccc2O)CCCC1 1936986666 KSZXRFROPGPHPS-OAHLLOKOSA-N 320.433 3.477 10 10 DGCE CN[C@@H](c1ccccc1O)C1(NC(=O)OC(C)(C)C)CC(C)C1 1937814615 RQYKICOCSMCPKT-KVIBHRHWSA-N 320.433 3.346 10 10 DGCE CC(C)(C)OC(=O)NC1CC(CC[C@@H](N)c2ccccc2O)C1 1938515222 LMSKTSMOJCAKDI-SSDMNJCBSA-N 320.433 3.476 10 10 DGCE CN(CCC(F)F)c1ccc(CN)c(Br)c1F 1947496065 MIEUZWFNQABWHE-UHFFFAOYSA-N 311.145 3.138 10 10 DGCE CC(C)(C)OC(=O)Nc1ccc([C@H]2NCCC2(F)F)c(O)c1 1952931016 KDPFHDAJGKMBLS-GFCCVEGCSA-N 314.332 3.409 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1C[C@H]2Nc1ccccc1N 1959350533 DTPSBJZBZBVYDU-DFBGVHRSSA-N 303.406 3.079 10 10 DGCE CN(C[C@@H]1CCCCN1CCCN=[N+]=[N-])C(=O)OC(C)(C)C 1962304105 LIIPHGLCSUASCH-ZDUSSCGKSA-N 311.430 3.408 10 10 DGCE CC[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)[C@@H]1C(=O)O 1968201321 GXHAMVFSGCCBTM-PELKAZGASA-N 318.200 3.384 10 10 DGCE C[C@H](CO)N(Cc1ccccc1)c1cc(Cl)c(CN)cc1F 1974801494 SNDRUPWKHNSPBH-GFCCVEGCSA-N 322.811 3.325 10 10 DGCE Nc1ncc(F)cc1OCc1csc(Br)c1 1994461185 GUGFGENUYNOKGV-UHFFFAOYSA-N 303.156 3.206 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1NCc1ccc(F)cc1O 1994521113 SUUMOCAKANEWOP-ZIAGYGMSSA-N 324.396 3.067 10 10 DGCE NCc1ccc(N2C[C@H]3CC=C[C@H]2C3)c(F)c1Br 2057015128 DOHLSNNUHPUIIK-ONGXEEELSA-N 311.198 3.202 10 10 DGCE CCNC(=O)c1cc(CC)nn1[C@@H](C)c1cc(C)c(C)cc1O 2070135135 UGUXVSWNCXEUJV-ZDUSSCGKSA-N 315.417 3.127 10 10 DGCE OCc1ccc(N2CCS[C@@H]3CC[C@H]32)cc1C(F)(F)F 2152205295 GOEMISSWOYRNRW-CHWSQXEVSA-N 303.349 3.282 10 10 DGCE O=C(O)[C@H]1CC2(CC2)CN1Cc1cc(Cl)cc(Cl)c1O 2152454409 UJIHIYFWWCHESB-LLVKDONJSA-N 316.184 3.138 10 10 DGCE CN[C@H](c1ccccc1O)[C@@]1(C)C=CCN1C(=O)OC(C)(C)C 2211738986 JFKNXIDPTPPCQC-CRAIPNDOSA-N 318.417 3.218 10 10 DGCE C[C@H]1CCC[C@@H](CN(C)c2cc(Cl)c(CN)cc2F)O1 2235222536 HQIHXNTXPKZPSI-JQWIXIFHSA-N 300.805 3.332 10 10 DGCE C[C@H](N)c1ccc(N2CC[C@H](OC(F)(F)F)C2)cc1Cl 2238904074 ISRVKFWIOUAEKF-WPRPVWTQSA-N 308.731 3.475 10 10 DGCE Cc1ccc2c(c1)[C@H](NC(=O)C=Cc1ccc(O)c(O)c1)[C@H](C)C2 2308083255 IPDPTYKAHJUYSC-ZUOKHONESA-N 323.392 3.469 10 10 DGCE Cc1cccnc1C=CC(=O)NCCCSc1nccs1 2308844352 JCTDECLLRSMPPU-UHFFFAOYSA-N 319.455 3.158 10 10 DGCE NN[C@H](c1ccccc1O)c1cc(F)c(Cl)cc1Cl 2351614823 QVMNVBVJGSQPQQ-CYBMUJFWSA-N 301.148 3.391 10 10 DGCE CSc1ncc(Cn2cncc2[C@H]2CCCC[C@H]2N)s1 2367239396 ZZXWYRWTCIWCAI-NWDGAFQWSA-N 308.476 3.095 10 10 DGCE CCN[C@H](C)c1ccc(N(C)C[C@@H]2CCN(C)C2)cc1Cl 78928126 JGBKYGGTCBMFKW-ZIAGYGMSSA-N 309.885 3.398 10 10 DGCE c1cc(N2CCNCC2)ccc1CNC1CCCCCCC1 84846350 CMUPVBBXTHOYFH-UHFFFAOYSA-N 301.478 3.299 10 10 DGCE CCN(CC)c1ccc(CN2CC[C@](O)(C(F)(F)F)C2)cc1 93612218 OGXWJNNHGKWSOY-OAHLLOKOSA-N 316.367 3.032 10 10 DGCE COc1cc(C)cc(CN2CCC(C3CCOCC3)CC2)c1O 164602257 FWZYEIAOENFZIL-UHFFFAOYSA-N 319.445 3.348 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@H]2CCN(CC3CCCC3)C2)c1 185595082 XNKKVKHSKIAAIL-HOCLYGCPSA-N 318.461 3.316 10 10 DGCE CCO[C@@H]1C[C@H]1COC(=O)c1cc(C)n(-c2ccccn2)c1C 193219085 WSRAZOPMHQSUQZ-GOEBONIOSA-N 314.385 3.071 10 10 DGCE CC(C)N(Cc1ccccc1)c1ccc2c(c1)N(C)C(=O)[C@@H]2N 303394366 RQDYKLIKNIAOQM-GOSISDBHSA-N 309.413 3.078 10 10 DGCE C[C@H](NC[C@H](C)N(C)C(=O)OC(C)(C)C)c1ccc(O)cc1O 304317728 ROYXQPJXQMHWRQ-RYUDHWBXSA-N 324.421 3.004 10 10 DGCE CSC1CCN(c2ccc(CN)c(C(F)(F)F)c2)CC1 312716928 FXYAPFIFDNSMHS-UHFFFAOYSA-N 304.381 3.496 10 10 DGCE CCc1ccc(/C=C\C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)o1 588506355 QJUKMBZUDYNXCP-ZVTBTPLYSA-N 315.369 3.014 10 10 DGCE CC[C@@H]1[C@@H](C(=O)O)CCN1Cc1cc(Cl)cc(Cl)c1O 690655484 MHTMXJNQTPMUHZ-CMPLNLGQSA-N 318.200 3.384 10 10 DGCE C[C@@]12CN(Cc3ccccc3)C[C@@H]1CN(c1ccc(N)cc1)C2 702060326 XOEKPDZQFXYZKE-XLIONFOSSA-N 307.441 3.227 10 10 DGCE Oc1c(Br)cccc1CNCC[C@H]1CCSC1 704816331 UXXHDMOZBFVCKD-JTQLQIEISA-N 316.264 3.388 10 10 DGCE Oc1cccc(Cl)c1CNCCc1cnc(C2CC2)nc1 756035765 WSPCFXVDCHTWAT-UHFFFAOYSA-N 303.793 3.045 10 10 DGCE Cc1ccc(/C=C\C(=O)N2C[C@@H](C)Oc3c(F)cccc32)cn1 775423361 YQAHGYXKVUZTAF-LJTDUEICSA-N 312.344 3.356 10 10 DGCE C[C@@H](NCC1(CO)CC2(CCC2)C1)c1cc(F)cc(F)c1O 788610411 LOLZXCZTHDKOOO-LLVKDONJSA-N 311.372 3.264 10 10 DGCE O=C(/C=C\[C@@H]1CCCO1)NCc1cc(Cl)cc(Cl)c1O 819533421 JFZYKXFJEOAHCY-BYCRGOAPSA-N 316.184 3.050 10 10 DGCE O=C(O)c1ccc(Cn2ccc3c(-c4cccnc4)nccc32)o1 821279050 MTZUHRXIUBZGTG-UHFFFAOYSA-N 319.320 3.438 10 10 DGCE CC(C)c1nnc(N(Cc2ccc(N(C)C)cc2)C2CC2)o1 827430754 RWTUQTKQSNKNEQ-UHFFFAOYSA-N 300.406 3.428 10 10 DGCE CCOc1ccc(O)c(CN2C[C@@H](C)O[C@](C)(C(F)F)C2)c1 827962814 UECNFNVPISEDAO-BZNIZROVSA-N 315.360 3.035 10 10 DGCE C[C@H](NC(=O)Cc1ccncc1Cl)c1ccc(N(C)C)cc1 832430491 FHQUMZNTLPHUGV-LBPRGKRZSA-N 317.820 3.221 10 10 DGCE COCc1nc(CNC/C=C\c2ccc(N(C)C)cc2)cs1 835055999 QULZCKMENGJEEY-PLNGDYQASA-N 317.458 3.159 10 10 DGCE CCc1cccc(CN[C@@H](C(C)C)C2(CO)CC=CC2)c1O 848919456 LKUVVYFOLFYVAV-SFHVURJKSA-N 303.446 3.398 10 10 DGCE C[C@@H](CN[C@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccccn1 850482602 QCFDOMTVMPZLFH-NWDGAFQWSA-N 301.346 3.150 10 10 DGCE CCc1nc([C@H](C)N(C)Cc2ccc(N(CC)CC)cc2)n[nH]1 851716518 NXZADRXLGNWDNF-AWEZNQCLSA-N 315.465 3.406 10 10 DGCE COc1ccc(N2CC[C@H](N[C@H]3C[C@@H](N)c4ccccc43)C2)cc1 854217187 KKDCPIPQSGMKDN-KPOBHBOGSA-N 323.440 3.008 10 10 DGCE Cc1cccc(CNCC[C@H]2CCC3(CCOCC3)CO2)c1O 895798674 JEHYMHVMWYNNQB-QGZVFWFLSA-N 319.445 3.156 10 10 DGCE C[C@H]1[C@@H](C)SCCN1C(=O)c1cc2cc(O)c(O)cc2s1 896445190 NSARYWWQCQDQFG-DTWKUNHWSA-N 323.439 3.279 10 10 DGCE CCN(CC)c1ccc(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)O)cc1 902009814 ZTYYJHFFPUTNIE-CGTJXYLNSA-N 316.445 3.218 10 10 DGCE COc1ccc(N2CC[C@H](N[C@H](C)c3c(C)noc3C)C2)cc1 926680204 KZWOGJUJYHFODS-DOMZBBRYSA-N 315.417 3.230 10 10 DGCE CC[C@@H](NC[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1ccc(N(C)C)cc1 926940265 JGZPAFAVHKIVNZ-OGWHTMIXSA-N 300.446 3.384 10 10 DGCE Cc1cc(C)c([C@H](C)NC[C@@H]2CCC3(CCOCC3)O2)c(O)c1 927012066 FLZHCKHKXYEKCA-HOTGVXAUSA-N 319.445 3.388 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N[C@@H]2C[C@H]2Cc2ccccc2)cc1 1147114082 VYNNEUJAHYSWCP-GDBMZVCRSA-N 322.368 3.210 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H](NCc2c(O)cccc2F)C1 1183919737 OMEOUCNZVJYCRB-GFCCVEGCSA-N 324.396 3.020 10 10 DGCE COc1ccc(N(C)CCN(C)CCSC(F)(F)F)cc1 1307897266 MAUNCYRHWAOLMJ-UHFFFAOYSA-N 322.396 3.316 10 10 DGCE CCOCCC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C 1438309801 FJPLQYPOAIUVFI-UHFFFAOYSA-N 314.429 3.445 10 10 DGCE Cc1ccc(C2(NC(=O)Cc3ccc(O)c(O)c3)CCC2)cc1 1452843414 ICNYOAVGKAYFFC-UHFFFAOYSA-N 311.381 3.144 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)C1(C)CC1 1519811608 GPKNLJXBUYKXIZ-AWEZNQCLSA-N 303.450 3.473 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C12CCC(CC1)C2(C)C 1528094483 JYPZZTCRRJZUNX-RMQJPMRHSA-N 317.429 3.361 10 10 DGCE Cc1noc(-c2ccccc2C(=O)N[C@H](C)c2ccccc2O)n1 1648890093 ZKHGNTYYQVZWSF-LLVKDONJSA-N 323.352 3.242 10 10 DGCE CCCN1N=C(c2ccc(OC)cc2)/C(=C\c2ccccn2)C1=O 1865672530 CNBSSIFZXLYAKR-GHRIWEEISA-N 321.380 3.130 10 10 DGCE CCCC1=NN(CC)C(=O)/C1=C/c1cc(Cl)c(O)c(OC)c1 1865675107 PDEDRNQSLISJHG-YRNVUSSQSA-N 322.792 3.456 10 10 DGCE COc1ccc(C2=NN(C)C(=O)/C2=C/c2cccc(C)c2)cc1 1865678481 NXLPHAMQJQOJKO-SFQUDFHCSA-N 306.365 3.263 10 10 DGCE COCCN(C[C@@H](C)O)c1ccc(OCc2ccccc2)cc1 1899882050 GWJLZQZEWXASSR-MRXNPFEDSA-N 315.413 3.099 10 10 DGCE C[C@@H](OCc1ccccc1)C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1 1912204209 VMFYFIVLEISYBJ-HIFRSBDPSA-N 302.378 3.141 10 10 DGCE CC(C)(C)OC(=O)N[C@@H](C1CCC1)[C@@H](N)c1ccccc1O 1928479878 ANQQQZQCLLTEML-GJZGRUSLSA-N 306.406 3.085 10 10 DGCE CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1[C@@H](N)c1ccccc1O 1929718624 PGKHYIZXNGAHQI-KBPBESRZSA-N 306.406 3.038 10 10 DGCE Cc1cccc(CN[C@]23C[C@H]2CN(Cc2ccccc2)C3)c1O 1939380324 OLHULWZARPBEGP-ICSRJNTNSA-N 308.425 3.065 10 10 DGCE CC(C)(C)OC(=O)NCCCOCCCc1ccc(N)cc1 1952464557 ANDGRFAHWBZKSN-UHFFFAOYSA-N 308.422 3.133 10 10 DGCE COc1ccc(Br)c(CNCC[C@H](C)F)c1O 1964597273 DBQOFZYBSUHSGG-QMMMGPOBSA-N 306.175 3.001 10 10 DGCE CN1CCCc2cc([C@H](O)CCNCc3ccccc3)ccc21 1977937785 ZQIHVVOVQKSDCO-HXUWFJFHSA-N 310.441 3.282 10 10 DGCE C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)CN1c1ccc(N)cc1 1977968367 PNZZJFJFQNAHPQ-KGLIPLIRSA-N 319.449 3.398 10 10 DGCE C[C@@H]1C[C@@H](CN(C)Cc2ccc(Br)cc2O)CO1 2040276888 VFXPGIBHRGHOPG-MNOVXSKESA-N 314.223 3.012 10 10 DGCE Nc1ccc(Br)cc1NCCc1ccc(O)c(O)c1 2091755051 WSLRJXOQRYWVEM-UHFFFAOYSA-N 323.190 3.097 10 10 DGCE CC[C@@H](C)C[C@](CO)(CSc1nccs1)NC(C)C 2142624287 ORLANNCQYXLRNO-OCCSQVGLSA-N 302.509 3.401 10 10 DGCE Oc1cccc(Cl)c1CN[C@H]([C@H]1CCOC1)C(F)(F)F 2143638035 JGKPMGJXSXXCTJ-QPUJVOFHSA-N 309.715 3.103 10 10 DGCE C[C@H]1[C@H](CC(=O)O)CCN1Cc1cc(Cl)cc(Cl)c1O 2153484628 AOWIQHBMULZFQP-IUCAKERBSA-N 318.200 3.384 10 10 DGCE CC(C)N[C@]1(C(=O)O)C[C@@H](Sc2nccs2)CC[C@H]1C 2175748338 YUIXOFFQVRSOPB-UHIISALHSA-N 314.476 3.245 10 10 DGCE CC(C)C[C@@H]1CN(c2cc(Cl)c(CN)cc2F)CCO1 2177376101 AUXGVWUYAPKZKC-GFCCVEGCSA-N 300.805 3.189 10 10 DGCE [N-]=[N+]=NC1CN(C(=O)c2ccc(C(F)(F)F)cc2Cl)C1 2179268634 LEMGNJBVVFRQJS-UHFFFAOYSA-N 304.659 3.494 10 10 DGCE Oc1c(Cl)cccc1CNCc1c[nH]nc1C(F)(F)F 2183028039 MRMYCRXOQUOZHO-UHFFFAOYSA-N 305.687 3.077 10 10 DGCE CN(Cc1ccc(Cl)cc1O)[C@H]1CO[C@H](C(F)(F)F)C1 2185542880 NQFCOBVYVSEBSH-PWSUYJOCSA-N 309.715 3.197 10 10 DGCE COc1ccc(Br)c(CN[C@H]2CC[C@@H](C)C2)c1O 2220462025 FPMPNVHXRZBDJO-ZJUUUORDSA-N 314.223 3.442 10 10 DGCE COc1ccc(C=C2SC(=S)N(C(C)C)C2=O)cc1OC 2296664436 BKVGWYJGJFBGTG-UHFFFAOYSA-N 323.439 3.313 10 10 DGCE O[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)CN(c2ccc(OCc4ccccc4)cc2)[C@H]31 2299509484 AMTLKPRWRCDSMR-WPCMGHOJSA-N 321.420 3.471 10 10 DGCE CC(C)N[C@@](CO)(CSc1nccs1)[C@@H]1CC1(C)C 2340947419 XJVHFHLRVFUPBL-RISCZKNCSA-N 300.493 3.010 10 10 DGCE Cc1ccncc1CNCc1ccc(C)c(Br)c1O 2352683360 HBRJLIMFRQSNJC-UHFFFAOYSA-N 321.218 3.456 10 10 DGCE COc1ccc(O)c([C@@H](C)N[C@@H](c2nc(C)no2)C(C)C)c1 185448742 FSEUYNICLMQATI-MEBBXXQBSA-N 305.378 3.140 10 10 DGCE CC(C)CNCc1ccc(N2CC[C@H](CCO)C2)c(Cl)c1 123800061 JIWNMFVHUCRZPA-CQSZACIVSA-N 310.869 3.294 10 10 DGCE CN(C)C(=O)c1ccccc1NCc1c(O)cccc1Cl 127294503 BBDRIMGUKQECKN-UHFFFAOYSA-N 304.777 3.360 10 10 DGCE C[C@@H](c1cccs1)N(C)[C@H](C)C(=O)Nc1ccc(N)cc1 219955602 BFIMGDQEZBACNU-NWDGAFQWSA-N 303.431 3.350 10 10 DGCE Fc1cc2c(cc1F)N(Cc1c[nH]nc1-c1cccnc1)CC2 360955603 KBCUVZQBFVTCRX-UHFFFAOYSA-N 312.323 3.313 10 10 DGCE CC[C@H](NC[C@@H](O)Cc1ccccc1)c1ccc(F)cc1O 286239908 TYJUETSKFAEMJN-RDJZCZTQSA-N 303.377 3.176 10 10 DGCE CN1CCc2cc([C@H](N)[C@H](O)c3ccc(Cl)s3)ccc21 2163124626 YPBVEWWCYOVDED-LSDHHAIUSA-N 308.834 3.127 10 10 DGCE Oc1c(Br)cc(Cl)cc1CN[C@H]1CC12CC2 715296837 WMLWHRRSZJOOCC-JTQLQIEISA-N 302.599 3.450 10 10 DGCE CC[C@H](N[C@@H]1CCNC[C@H]1C)c1ccc(C(F)(F)F)cc1O 817970464 WHNOJOHECDPVTQ-DDTOSNHZSA-N 316.367 3.450 10 10 DGCE O=C(COc1ccc(N2CCCCC2)c(Cl)c1)NCC1CC1 817381073 CKKQUUBUQGXNQC-UHFFFAOYSA-N 322.836 3.235 10 10 DGCE COc1ccc(Cl)c(O)c1[C@@H](CC1CC1)N1CCOCC1 575302442 MZKCFSBAIHCYHT-CYBMUJFWSA-N 311.809 3.228 10 10 DGCE Cc1cc(CC(=O)N(C)c2ccn(C)n2)c(C)n1-c1ccccc1 832370308 WKNANVZJSQHULN-UHFFFAOYSA-N 322.412 3.033 10 10 DGCE C[C@@H](Nc1nc(C2CCOCC2)no1)c1ccc(N(C)C)cc1 840287958 BPTKITKLMRZDLD-GFCCVEGCSA-N 316.405 3.203 10 10 DGCE Cn1cc(C[C@@H]2CCC[C@@H]2N[C@H]2CCc3cccc(O)c32)cn1 850541292 UVXFYSGSGHELJR-ULQDDVLXSA-N 311.429 3.114 10 10 DGCE COc1ccc(N2CC[C@H](NCc3cc(C)oc3C)C2)cc1 850347498 SNVZXQLJANRWIM-INIZCTEOSA-N 300.402 3.274 10 10 DGCE CN(C)c1ccc(CNC[C@@H]2C[C@H](c3ccccc3)CO2)cc1 850377276 AAZJLGRXRCMOGC-ICSRJNTNSA-N 310.441 3.415 10 10 DGCE CN(C[C@@H]1CC=CCC1)C(=O)NCc1ccc(N(C)C)c(F)c1 753152986 YSLDWMSRADSQAS-CQSZACIVSA-N 319.424 3.389 10 10 DGCE COc1cc(CN2C[C@H]3COC[C@@]3(C)C2)c(O)c(C(C)(C)C)c1 853566318 NXMCCOMSQLQGPH-IFXJQAMLSA-N 319.445 3.167 10 10 DGCE CC[C@H](NC[C@]12OCCC[C@H]1C2(F)F)c1ccc(F)cc1O 850532963 QEOJNQNNPLEEIZ-CFVMTHIKSA-N 315.335 3.386 10 10 DGCE CCn1cnc2c(NCc3cc(C)ccc3O)nc(Cl)nc21 865968713 VHFBDSCEFJYHKJ-UHFFFAOYSA-N 317.780 3.126 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNc1ccn(CCF)n1 865837577 QHPHADVTFKCNRC-UHFFFAOYSA-N 304.152 3.477 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)c2coc(C(F)F)c2)c1 860242986 XVRUSWJDRXFNAY-QMMMGPOBSA-N 311.284 3.422 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CCCO3)C2)cc1 862821700 YMLLLNSQAZKNER-UHFFFAOYSA-N 310.397 3.099 10 10 DGCE CN1CC[C@H](NCCCSc2nccs2)[C@@H]2CCC[C@@H]21 796772780 VUMDGBSGUJPVKT-IHRRRGAJSA-N 311.520 3.088 10 10 DGCE CO[C@@H](CCNCc1c(O)ccc(Cl)c1F)C(F)(F)F 790990943 IIIRWAFRLVNEAC-JTQLQIEISA-N 315.694 3.242 10 10 DGCE Cc1cccc(N)c1N[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C 1959373612 KUEYBDUAEZKDDX-ZIAGYGMSSA-N 305.422 3.435 10 10 DGCE CCCCn1c(C2CC2)nnc1N(C)Cc1ccccc1O 1306706439 PJLRCWAYJWVMAN-UHFFFAOYSA-N 300.406 3.298 10 10 DGCE C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(CCCN=[N+]=[N-])C1 1962304122 LQYXYWMDZIUJCA-CHWSQXEVSA-N 311.430 3.312 10 10 DGCE COc1ccc(N(C)C[C@@H]2CCC3(CCC3)CO2)c(OC)c1 1168317561 QNHDLZQWDSODQM-HNNXBMFYSA-N 305.418 3.489 10 10 DGCE COc1ccc(CNC2(CNC(=O)CC(C)C)CCC2)cc1C 1326772629 BHWOFRROMFUQSL-UHFFFAOYSA-N 318.461 3.178 10 10 DGCE NC[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CC12CCC2 693666450 KBXWQFVJCWFLRM-NSHDSACASA-N 315.244 3.260 10 10 DGCE Cc1ccc([C@@H](C)NCC2CCC3(CC2)OCCO3)c(O)c1 193374456 FVGOZMQAMFLXHM-CQSZACIVSA-N 305.418 3.285 10 10 DGCE C[C@@H](NC(=O)Nc1ccc(CO)cc1)c1ccc(N(C)C)cc1 1526896085 FESOHAFIKTXXGG-CYBMUJFWSA-N 313.401 3.128 10 10 DGCE COC(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccccc2O)cc1 1632249769 AZKANFASIOHKRW-NSHDSACASA-N 314.341 3.062 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(C)sc1C 1634939157 KQRMAEAMQGOTAY-UHFFFAOYSA-N 310.415 3.486 10 10 DGCE CCOc1ccc(N2CCN(C[C@H](OC)C3CCC3)CC2)cc1 1657876504 UDLBLTRDMUNXPY-IBGZPJMESA-N 318.461 3.022 10 10 DGCE CSc1ccc(O)c(C(=O)NCc2cccc(Cl)c2O)c1 1653567399 XTVHGKUGHNMMIC-UHFFFAOYSA-N 323.801 3.403 10 10 DGCE CCCCC[C@@H](O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 1595318105 LEUKUBRMEKJBJM-GOSISDBHSA-N 318.461 3.185 10 10 DGCE COCCNCc1ccc(N(C)[C@@H](C)CCSC)c(F)c1 161675364 JGBUHXRCUIEIEV-ZDUSSCGKSA-N 314.470 3.140 10 10 DGCE CCNCc1ccc(N2CCN([C@@H](C)CC)CC2)c(Cl)c1 164052672 YPXUKBHRAZXLOD-AWEZNQCLSA-N 309.885 3.370 10 10 DGCE CCCC1=NN(CCC)C(=O)/C1=C/c1ccc(OC)c(O)c1 1865664728 WLGNKDCJAKEBMQ-JLHYYAGUSA-N 302.374 3.193 10 10 DGCE CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2ccc(N)cc2)CC1 1901592349 FPWBQTXTTZIDGS-OAHLLOKOSA-N 319.449 3.495 10 10 DGCE O=C(O)c1cnc(Sc2cncc(Br)c2)s1 1921647426 MSJWUEQDECGEMG-UHFFFAOYSA-N 317.189 3.150 10 10 DGCE CN[C@H](c1ccccc1O)[C@H](NC(=O)OC(C)(C)C)C(C)C 1928477001 OXNJXDMWCJZTEH-HUUCEWRRSA-N 308.422 3.202 10 10 DGCE CC[C@@H](NCc1ccccc1O)[C@@H](C)NC(=O)OC(C)(C)C 1929761976 SKTRFEMDDQAYMY-TZMCWYRMSA-N 308.422 3.174 10 10 DGCE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1[C@H](N)c1ccccc1O 1930750749 YAPXAJICCRBLQL-KCPJHIHWSA-N 306.406 3.038 10 10 DGCE CC(C)(C)OC(=O)NC[C@H](CC1CC1)[C@H](N)c1ccccc1O 1936967993 MMMBENYOZVXBPW-BBRMVZONSA-N 320.433 3.333 10 10 DGCE Oc1c(Br)cc(Cl)cc1[C@H]1CC(F)(F)CN1 1952722456 CVNIXZZLWGODDY-MRVPVSSYSA-N 312.541 3.478 10 10 DGCE C[C@H](NCc1ccccc1O)c1cnn(Cc2ccccc2)c1 155151573 QXMZTVACQIINRS-HNNXBMFYSA-N 307.397 3.488 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CCCN2CCCN=[N+]=[N-])C1 1982248757 YCZBAEHIZHPTGR-KGLIPLIRSA-N 323.441 3.408 10 10 DGCE C[C@H](O)c1ccc(N2CC(COC(F)(F)F)C2)c(Cl)c1 2156324120 QFCDLMOLMGPPCI-QMMMGPOBSA-N 309.715 3.366 10 10 DGCE Oc1cc(Br)ccc1CN[C@H]1COc2ccccc21 691418327 ZSVBQHOZWQJLHT-ZDUSSCGKSA-N 320.186 3.378 10 10 DGCE C[C@@H]1C[C@@H](N(C)Cc2cc(Br)ccc2O)CCO1 721481055 YEUQOGSQMPMLAZ-MFKMUULPSA-N 314.223 3.154 10 10 DGCE CC(C)NCc1ccc(N(C)[C@@H](C)C[S@@](C)=O)cc1Cl 398898832 PZDDVSQMVRPSMV-FKIZINRSSA-N 316.898 3.041 10 10 DGCE COc1cccc(Cn2ncc(C3CCCCC3)c2O)c1O 2070204663 ALUUQVXKZOIMRO-UHFFFAOYSA-N 302.374 3.399 10 10 DGCE CC[C@H](O)CN(CC)c1ccc([C@@H](C)O)c(Br)c1 2044544198 QRVUPAWASILPFZ-PWSUYJOCSA-N 316.239 3.100 10 10 DGCE C[C@H]1C[C@@H]1N(C)c1ccc(C=CC(=O)O)cc1Br 2052757056 MPDNVQOFUZECAZ-ZANVPECISA-N 310.191 3.392 10 10 DGCE CSc1ncc(CNc2ncc(CO)cc2Cl)s1 2256967180 QDJNSQFQGGWPFR-UHFFFAOYSA-N 301.824 3.018 10 10 DGCE CN1C(=CC=C2SC(=S)NC2=O)C(C)(C)c2ccccc21 2295137585 GRXBURXHFVDQEI-UHFFFAOYSA-N 316.451 3.330 10 10 DGCE CSc1ncc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)s1 2284687295 FPTJYNCYYCJPFF-HZSPNIEDSA-N 311.520 3.265 10 10 DGCE CCCN1C(=O)C(=Cc2ccc(O)c(OCC)c2)SC1=S 2296676442 DMSTZVRGVIAVFC-UHFFFAOYSA-N 323.439 3.402 10 10 DGCE CC(=CC(=O)NCc1ccc(N2CCSCC2)cc1)C1CC1 2297372940 XBMYPPFAYZWJBW-UHFFFAOYSA-N 316.470 3.212 10 10 DGCE CCS[C@H]1CC[C@@H](N(C)C(=O)C=Cc2ccc(O)c(O)c2)C1 2307987736 HLIWZMDKTPQLOF-KGLIPLIRSA-N 321.442 3.244 10 10 DGCE O=C1NC(=S)NC1=Cc1cc(N=Nc2ccccc2)ccc1O 2313530540 FRGSLDHILMIQGB-UHFFFAOYSA-N 324.365 3.153 10 10 DGCE CN(CCc1ccc(N)cc1)[C@H]1CCN(Cc2ccccc2)C1 309732625 SLWVYJREZOUGTH-FQEVSTJZSA-N 309.457 3.018 10 10 DGCE CCN(c1ccc([C@H](C)N)cc1Br)[C@@H]1CCOC1 310909012 QIRBSEAZBIJCGC-CMPLNLGQSA-N 313.239 3.084 10 10 DGCE CCN(CC)CCN(Cc1ccco1)Cc1ccccc1O 181374541 LQQNPNPGBWMGJH-UHFFFAOYSA-N 302.418 3.329 10 10 DGCE Cc1ccn2c(/N=N\c3ccc(C(=O)O)cc3)c(C(=O)O)nc2c1 71583557 BJZAPRRPINSMCR-HNENSFHCSA-N 324.296 3.455 10 10 DGCE C[C@@H](NCC(C)(C)NC(=O)OC(C)(C)C)c1ccc(O)cc1O 227710060 JDPATRHZZQXTOH-LLVKDONJSA-N 324.421 3.052 10 10 DGCE Cc1nccn1C[C@H]1CCCN1Cc1c(O)ccc(Cl)c1F 191425909 DDXWXSKCBQXXPP-GFCCVEGCSA-N 323.799 3.354 10 10 DGCE CNCc1ccc(OC)c(CSc2nc(C)cc(C)n2)c1 81878115 NHSKXAKLFCZOHL-UHFFFAOYSA-N 303.431 3.114 10 10 DGCE CCC[C@H]1CN(c2cc(Cl)c(OC)cc2OC)CCCN1 86287794 OHRFIIHJRZKPGX-LBPRGKRZSA-N 312.841 3.326 10 10 DGCE COCCN(Cc1ccccc1)c1ccc([C@H](C)N)c(O)c1 384387200 QLPROIDSMLQBID-AWEZNQCLSA-N 300.402 3.065 10 10 DGCE Cc1cccc(CNCC2(NC(=O)OC(C)(C)C)CCC2)c1O 230392425 VIJMZTJYIBYYGB-UHFFFAOYSA-N 320.433 3.238 10 10 DGCE C[C@H](NCc1ccnc(OC(F)F)c1)c1cc(F)ccc1O 284527183 ZRMQKHPXRNCUEG-VIFPVBQESA-N 312.291 3.379 10 10 DGCE C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@@H]1CCN 723924563 QIPUMBKSYATIOM-UWVGGRQHSA-N 303.233 3.116 10 10 DGCE C[C@H](CSCCF)NCc1cccc(Br)c1O 825710337 MFFZFIANNGHJQR-SECBINFHSA-N 322.243 3.336 10 10 DGCE C[C@@H](N[C@@H]1CCc2cccc(O)c21)c1cn(-c2ccccc2)nn1 834680732 HMVGJVAPWBYSMZ-CZUORRHYSA-N 320.396 3.311 10 10 DGCE Cc1cc(O)c(CN2CC[C@H](n3cc(C)cn3)C2)c(Cl)c1 840947807 MIUVCEPQCCNYGH-ZDUSSCGKSA-N 305.809 3.306 10 10 DGCE CC1(C)CN(C(=O)/C=C\c2cnccn2)c2cccc(Cl)c21 746817963 UFBYRGCSXDFRGU-SREVYHEPSA-N 313.788 3.468 10 10 DGCE Cc1cc(O)c(CNC[C@@](C)(O)c2cccs2)c(Cl)c1 840901057 XOBBURLUSNMTGD-OAHLLOKOSA-N 311.834 3.413 10 10 DGCE Cc1cc(O)c(CN2CC(CO)(c3ccccc3)C2)c(Cl)c1 840969664 HNAKRQJRTAUIRU-UHFFFAOYSA-N 317.816 3.100 10 10 DGCE COc1cccc([C@@H](C)NCCOc2ccc(F)cc2F)c1O 846151498 ZECWUVFMFSTOEC-LLVKDONJSA-N 323.339 3.409 10 10 DGCE CC[C@@](C)(NC(=O)NCc1ccc(N2CC=CC2)cc1)C1CC1 853776796 WGMONVVHPNIQKP-LJQANCHMSA-N 313.445 3.441 10 10 DGCE CCOc1ccc(CN[C@H](c2ccccc2)[C@@H](C)O)c(O)c1 850419400 DKNQJEZPTADELT-ACJLOTCBSA-N 301.386 3.003 10 10 DGCE CCN(CC)c1ccc(CN[C@@H]2CCNC23CCC3)cc1F 863483289 USAXMLZRMMLMIS-QGZVFWFLSA-N 305.441 3.046 10 10 DGCE O=C(Nc1scnc1C1CC1)N1Cc2cccc(O)c2C1 930593031 BULPZKDLCCNZHF-UHFFFAOYSA-N 301.371 3.274 10 10 DGCE CCC[C@H](C)[C@H](CO)NCc1ccc(Br)cc1O 1118577314 MSRZMHAMUJBAES-GWCFXTLKSA-N 316.239 3.041 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)[C@@H]1CC2CCC1CC2 862025796 BDFBUWOCCVBHOO-SEEARECTSA-N 310.397 3.383 10 10 DGCE O=C(NC[C@H]1CC=CCC1)c1cc2cc(O)c(O)cc2s1 895902664 JKTAVCGODVZUBH-JTQLQIEISA-N 303.383 3.399 10 10 DGCE COc1ccc(C)cc1NC(=O)c1ccc(N=NC(N)=O)cc1 1135377214 NCPBHSGBACWWCH-UHFFFAOYSA-N 312.329 3.418 10 10 DGCE CN(C)c1cc(F)c(CN2CC[C@H]([C@H]3CCCO3)C2)cc1F 895846423 UBKFKXDIUAGFLR-YVEFUNNKSA-N 310.388 3.032 10 10 DGCE CC[C@H](NCC1(O)Cc2ccccc2C1)c1ccc(C)cc1O 794799938 ALNYXDJKTDXQKG-SFHVURJKSA-N 311.425 3.271 10 10 DGCE COCCN([C@@H](C)COC)[C@@H](C)c1cc(Cl)ccc1O 133457893 FBVBXBYBRAMHAH-RYUDHWBXSA-N 301.814 3.090 10 10 DGCE C[C@@H](C[C@H](N)c1ccc(N(C)C)cc1)NC(=O)OC(C)(C)C 1959563291 ZFJHUDHLTZVATQ-WFASDCNBSA-N 307.438 3.056 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1ocnc1C(F)F 1157051029 OBQFWXCUYXGZLK-UHFFFAOYSA-N 318.279 3.401 10 10 DGCE CC(C)(C)OC(=O)N[C@H]([C@@H](N)c1ccccc1O)C(C)(C)F 1962150787 MAFPWRVXQFHYRV-QWHCGFSZSA-N 312.385 3.033 10 10 DGCE Oc1c(F)cc(F)cc1CNCCCOCc1ccccc1 708535670 OZBUXKBXVFWBHA-UHFFFAOYSA-N 307.340 3.367 10 10 DGCE C[C@H](N)c1ccc(N2C[C@@H]3[C@H](C2)C3(F)F)c(Br)c1 715495314 VAGKVGQWCVHLSK-UJNFCWOMSA-N 317.177 3.170 10 10 DGCE CCN(CC)C(=O)Cn1c2c(c3cc(OC)ccc31)CCCC2 1349803339 AOIAXIHEEPSIRA-UHFFFAOYSA-N 314.429 3.397 10 10 DGCE CSc1cccnc1C(=O)Nc1c(Cl)ccc2nonc12 1459789293 QRGQSNZIHLZFEU-UHFFFAOYSA-N 320.761 3.245 10 10 DGCE CN(c1ccc(CO)c(Br)c1)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@@H]12 2116357428 UBDJIFPXGAQNHN-FXBFXLCLSA-N 322.246 3.422 10 10 DGCE COc1ccc(N(CCc2ccccc2)Cc2n[nH]c(C)n2)cc1 1616055533 BZCWJBUJZNOFMW-UHFFFAOYSA-N 322.412 3.371 10 10 DGCE C[C@H]1CC[C@@](C)(CNC(=O)Cc2ccc(O)c(O)c2)C1(C)C 1557415154 ZRIWJCUHDGOESY-SGTLLEGYSA-N 305.418 3.219 10 10 DGCE CC(C)N(CC(=O)NCC(C)(C)C)Cc1ccc(N(C)C)cc1 1559492124 FTHOOAWGTYNIDU-UHFFFAOYSA-N 319.493 3.125 10 10 DGCE c1cc(N2CCOCC2)ccc1CNC[C@@H]1C[C@H]1C1CCCC1 1621107760 YPKBEQNULBQDNF-ICSRJNTNSA-N 314.473 3.439 10 10 DGCE CCCc1cc(NC(=O)c2cc3cc(O)c(O)cc3s2)n[nH]1 1628261363 VZRVTPCFKHMVFD-UHFFFAOYSA-N 317.370 3.240 10 10 DGCE COc1ccc(CN[C@@H](C)CN(C)C(=O)C2(C)CCC2)cc1C 1725506126 PXWSMKXZNVFVBO-HNNXBMFYSA-N 318.461 3.130 10 10 DGCE O=C(O)C=Cc1ccc(N2C[C@@H]3C[C@H]3C2)c(Br)c1 1912081617 FBOFCRJGZVDYHE-QWRGUYRKSA-N 308.175 3.003 10 10 DGCE COc1nc(C)cc(N(C)Cc2ccc(N3CCCC3)cc2)n1 1650089560 YWNVIMNBMBWKLQ-UHFFFAOYSA-N 312.417 3.030 10 10 DGCE CC(C)c1ccc(/C=C2\SC(=S)N(CCCO)C2=O)cc1 16904753 ADRXLTIBWRDLSC-UVTDQMKNSA-N 321.467 3.394 10 10 DGCE CCOC(=O)c1cccc(N)c1N[C@@H](CC)c1nccs1 161188112 KWFQJIDNBMTQCO-LBPRGKRZSA-N 305.403 3.465 10 10 DGCE CC(=O)N[C@H](C)CN=NNc1ccc(Br)c(C)c1 1860496326 BIPSOOPIUCXJCG-SECBINFHSA-N 313.199 3.061 10 10 DGCE CCOC(=O)C1CCN(/N=N/c2ccc(C(C)=O)cc2)CC1 1860481445 YQSZKQWMVZODJP-ISLYRVAYSA-N 303.362 3.163 10 10 DGCE Cn1c(-c2ccc(O)c(O)c2)nc2cc(Br)ccc21 225654657 GYFAFSYEMICYCM-UHFFFAOYSA-N 319.158 3.414 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]1(C)[C@@H](N)c1ccccc1O 1936969618 ZWACMFNKMIYFTB-HNJNHCNJSA-N 320.433 3.285 10 10 DGCE COc1ccc(CN[C@@H]2CC[C@H]2OCc2ccccc2)c(O)c1 1939575790 OANIQABRTKAEPN-IEBWSBKVSA-N 313.397 3.238 10 10 DGCE Cc1cc(Br)cc(CN2CC[C@@](C)(F)C2)c1O 1946919410 KUCSYZZEAONMIV-CYBMUJFWSA-N 302.187 3.397 10 10 DGCE Cn1ncc(Br)c1NCc1cccc(Cl)c1O 1949996210 UVAMBJHINJFSFL-UHFFFAOYSA-N 316.586 3.154 10 10 DGCE Cc1cccc(N)c1N[C@@H]1[C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]21 1977673948 HILSFVLJCWNGAT-DAXOMENPSA-N 317.433 3.387 10 10 DGCE CC[C@@](CCCSc1nccs1)(NC1CC1)C(=O)OC 2144115543 NUQBUPJPJORYKI-AWEZNQCLSA-N 314.476 3.089 10 10 DGCE CC(C)(C)OC(=O)N1CC(C2CCN(CCCN=[N+]=[N-])CC2)C1 1983443238 URORAGPBMJCDKU-UHFFFAOYSA-N 323.441 3.266 10 10 DGCE CN(C(=O)OC(C)(C)C)C1(CNCc2c(O)cccc2F)CC1 1988071226 PARSIWYHVHBPEV-UHFFFAOYSA-N 324.396 3.020 10 10 DGCE C[C@H](O)c1cc(F)c(N(CCCO)Cc2ccccc2)c(F)c1 1990406716 NDVDJNOCBRCMMM-ZDUSSCGKSA-N 321.367 3.407 10 10 DGCE C[C@@H]1C[C@](N)(c2ccc3c(c2)CCN3C)CN1Cc1ccccc1 1999506299 CYNZFBCVIVFTLH-IIBYNOLFSA-N 321.468 3.127 10 10 DGCE Nc1ccc(CNC(=O)c2ccc(Br)c(F)c2)cc1 43575960 LSPNWYCAVHFPKY-UHFFFAOYSA-N 323.165 3.100 10 10 DGCE CN[C@H](C)c1ccc(N2CC[C@H]2CF)cc1Br 2011854381 KXIDHTWATCNOTC-KOLCDFICSA-N 301.203 3.278 10 10 DGCE COc1ccc(C=C2SC(N3CCCCC3)=NC2=O)cc1F 2040481586 VZXFBINQEIEZNE-UHFFFAOYSA-N 320.389 3.291 10 10 DGCE CNCc1ccc(N2CC(C(C)(F)F)C2)cc1Br 2034066187 PKSNYFKMURONPU-UHFFFAOYSA-N 319.193 3.260 10 10 DGCE CC[C@@H]1CCOC[C@@H]1NCc1c(O)cccc1Br 2035119094 HIPLULVIGWXTPT-MFKMUULPSA-N 314.223 3.059 10 10 DGCE NCc1cc(F)c(N2CCC(F)(F)CC2)cc1Br 405172450 WHSSQZUQJPSUIP-UHFFFAOYSA-N 323.156 3.282 10 10 DGCE C[C@H]1CCCC[C@H]1S(=O)(=O)Nc1ccc(O)cc1Cl 407435120 RFAAHKIPZOHFBK-TVQRCGJNSA-N 303.811 3.366 10 10 DGCE CNCc1ccc(N(CCOC)[C@@H]2CCSC2)cc1Cl 2170130873 MNXJXUWCHLLYGH-CQSZACIVSA-N 314.882 3.018 10 10 DGCE CO[C@H]1CC(F)(F)CC[C@@H]1NCc1cc(Cl)ccc1O 2162096708 ZVJPXAGETGMHBP-AAEUAGOBSA-N 305.752 3.338 10 10 DGCE C[C@H](O)c1ccc(N(C)C(C)(C)CCO)c(Br)c1 689839202 YBHHLWYLGNKQDS-JTQLQIEISA-N 316.239 3.100 10 10 DGCE CN(c1ccc(CO)cc1Br)[C@@H]1CCCSC1 689587295 IBNSSIDUFLGWBO-LLVKDONJSA-N 316.264 3.273 10 10 DGCE Cc1ccc(Br)cc1COc1cc(F)cnc1N 723404025 JWCFAKSXRUFHKP-UHFFFAOYSA-N 311.154 3.453 10 10 DGCE CNC(=O)c1cc(C2CCC2)nn1[C@H](C)c1ccc(C)cc1O 2070049927 IJBYIGHSYUPRLK-GFCCVEGCSA-N 313.401 3.134 10 10 DGCE CNCc1cc(F)c(N(C)CC2(Br)CC2)c(F)c1 2076244149 HEKQQSUGEGFTED-UHFFFAOYSA-N 319.193 3.048 10 10 DGCE Cc1cc(C(=O)O)c(C)n1-c1ncc(F)cc1Br 2082517091 GTYACRRXWZWWDN-UHFFFAOYSA-N 313.126 3.089 10 10 DGCE CCCN[C@H](CC1OCCO1)c1ccc(N2CCCC2)cc1 2106827782 GUXNLCMOFIGECK-QGZVFWFLSA-N 304.434 3.091 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN1Cc1ncsc1Br 2210638788 UDPQEHJQBHIMFV-ZETCQYMHSA-N 302.201 3.180 10 10 DGCE CSc1ncc(CNCC23CC(C2)[C@H](C(F)(F)F)O3)s1 2208890376 XFBPDTPZKRZFAG-PUDKOPFASA-N 324.393 3.065 10 10 DGCE CN[C@H](c1cc(Cl)cs1)[C@H](O)c1ccc(N(C)C)cc1 2290198593 COELPNSCYMNBRC-HUUCEWRRSA-N 310.850 3.462 10 10 DGCE COC(=O)c1ccc([C@H](C)NCc2cnc(SC)s2)o1 2284495678 BHGPHIMFVMPQDL-QMMMGPOBSA-N 312.416 3.095 10 10 DGCE CC[C@@H](N)[C@H](C)N(C)Cc1ccc(C)c(Br)c1O 2327609839 PUVNJCQJRIQQAD-CMPLNLGQSA-N 315.255 3.021 10 10 DGCE CC(C)(C)[C@@H]1OCCC[C@]1(Sc1nccs1)C(=O)O 2351987940 ALTSGVGNPSSFLY-TVQRCGJNSA-N 301.433 3.284 10 10 DGCE Cc1ccc(CN2C[C@H]3CC[C@H]2C(=O)C3)c(O)c1Br 2352570684 AARKXPDYJAXCGP-JQWIXIFHSA-N 324.218 3.017 10 10 DGCE CCNC(=S)NCCc1cc(C)n(-c2ccccc2)c1C 15156164 IYABDTQLBZARIK-UHFFFAOYSA-N 301.459 3.121 10 10 DGCE CN[C@H](C)c1ccc(N2CCN(CC(C)C)CC2)c(Cl)c1 61698231 MXDXVVNDNIQQHK-CQSZACIVSA-N 309.885 3.398 10 10 DGCE CN(C)c1ccc(CNCc2ccc(C3OCCO3)cc2)cc1 77418312 BWSYWQKQXMSUCQ-UHFFFAOYSA-N 312.413 3.088 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)c2cccc3ncccc23)c1 104901133 WQYAGKMKQZXAJK-LBPRGKRZSA-N 322.364 3.440 10 10 DGCE CNCc1ccc(N(C)C[C@H]2CCCO2)c(C(F)(F)F)c1 163690133 IRMGOCJCKWZQAS-GFCCVEGCSA-N 302.340 3.040 10 10 DGCE Cc1nn(C)c(Cl)c1CN(Cc1ccc(N)cc1)C(C)C 166864611 SSSOHAVVWKILQP-UHFFFAOYSA-N 306.841 3.375 10 10 DGCE CCCN(Cc1ccccc1O)Cc1nnc(C)n1C1CC1 170779122 GTARYPCMFAPFFI-UHFFFAOYSA-N 300.406 3.039 10 10 DGCE COc1cc(CNCc2ccc3c(c2)CCCN3C)ccc1O 171380977 KMZVWUHVSIAXSO-UHFFFAOYSA-N 312.413 3.073 10 10 DGCE COc1cc(Cl)cc(CN[C@]2(CO)CCC[C@H](C)C2)c1O 229051744 QIRTVHPCKQLUMD-MEDUHNTESA-N 313.825 3.085 10 10 DGCE CC(C)(C)OC(=O)N1CCCCC[C@@H]1[C@@H]1CCCC(=O)C1=O 230416130 IIGHJVXNGXTEST-QWHCGFSZSA-N 309.406 3.104 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@H]3OCCC[C@@H]23)cc1 251778416 LGOXCASXBUHXBG-IPMKNSEASA-N 324.424 3.391 10 10 DGCE CCN(CC)c1ccc(/C=C2\N=C(c3ccccn3)OC2=O)cc1 255120078 VNANNBZOOFCZEI-LGMDPLHJSA-N 321.380 3.272 10 10 DGCE CO[C@H]1CCCC[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1 293419922 IRBWHQKHKYEOHN-ROUUACIJSA-N 316.445 3.108 10 10 DGCE CN(c1cc(Br)c(CN)cc1F)C1CCCC1 310116220 CMUOPRHUEOTZBQ-UHFFFAOYSA-N 301.203 3.426 10 10 DGCE CCN(CC)c1ccc(CN2CCC23CCOCC3)cc1F 370081353 IXMCFEULVSRCGR-UHFFFAOYSA-N 306.425 3.427 10 10 DGCE COc1cccc(CN[C@H](c2ccccc2)[C@@H]2CCOC2)c1O 374496179 LBINVSAEBAVNFK-SJLPKXTDSA-N 313.397 3.268 10 10 DGCE COc1ccc(NCc2ccc(Br)cc2O)cc1O 691443981 KOBZFLDPWGUVAN-UHFFFAOYSA-N 324.174 3.481 10 10 DGCE [N-]=[N+]=NCCCNC(=O)COc1ccc(Cl)c(Cl)c1 701318995 KVHFGIHTTJKXSX-UHFFFAOYSA-N 303.149 3.189 10 10 DGCE COc1ccc(N2CCN(C(=O)C[C@H](C)CC(C)C)CC2)cc1 727661856 HKDWUBCMXDRSIX-MRXNPFEDSA-N 318.461 3.416 10 10 DGCE Cc1nn(C)c(C)c1C[C@H](C)N[C@H](C)c1cc(F)cc(F)c1O 756615983 YABBQIFONDJEIR-VHSXEESVSA-N 323.387 3.303 10 10 DGCE CC[C@H](NC[C@@H](CO)c1cccnc1)c1cccc(Cl)c1O 806178944 MEMXDYBZDIQUKW-BBRMVZONSA-N 320.820 3.257 10 10 DGCE O=C(NCc1ccc(N2CCCC2)cc1)c1sccc1F 815008396 FESMIGYHHPOMLZ-UHFFFAOYSA-N 304.390 3.417 10 10 DGCE CN(Cc1ccccc1O)c1ccc(C(=O)OC(C)(C)C)cn1 825880665 DXRBSOUFTRLTAO-UHFFFAOYSA-N 314.385 3.379 10 10 DGCE COc1ccc(O)c([C@H](C)NCCc2ncc(C)cc2C)c1 828155232 KNVCKJNXSXWHTP-AWEZNQCLSA-N 300.402 3.306 10 10 DGCE C[C@H](N[C@H]1C[C@H](O)C12CCC2)c1cccc(C(F)(F)F)c1O 850547247 SHMIKZJNZNUJAD-XDTLVQLUSA-N 315.335 3.365 10 10 DGCE CCN(CC)c1ccc(CNC(=O)c2ocnc2C(F)F)cc1 858605589 VFKJGNHDSLTJMZ-UHFFFAOYSA-N 323.343 3.388 10 10 DGCE CN1CCCc2cc(CNCc3ccnn3CC3CCC3)ccc21 865438065 YPTVVUVLZUEONJ-UHFFFAOYSA-N 324.472 3.355 10 10 DGCE C[C@@H](NC(=O)OCCC(F)(F)F)c1ccc(N(C)C)cc1 867125891 ORULUQSKBZGJIF-SNVBAGLBSA-N 304.312 3.492 10 10 DGCE COc1cccc(C(C)(C)C(=O)N2Cc3cccc(O)c3C2)c1 871199690 SJKREHFKFBPWRC-UHFFFAOYSA-N 311.381 3.221 10 10 DGCE CCc1ncc2c(n1)C[C@H]1CC[C@H]2N1Cc1ccc(C)cc1O 895928154 IVFOHMRXNULLSD-RHSMWYFYSA-N 309.413 3.315 10 10 DGCE Cc1ccc(O)c(CNC(=O)N[C@@H]2C[C@H]2C2CCCCC2)c1 1246471192 ORJUPPIAPIZJRS-JKSUJKDBSA-N 302.418 3.469 10 10 DGCE C/C(=C/C(=O)N1CCCc2cc(F)cc(F)c21)c1cnccn1 1355668191 DSVOEEOQXWFXEH-XFFZJAGNSA-N 315.323 3.138 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)C(C)=C2CCCC2)cc1 1452834935 KOIWTTNBUQPIAP-UHFFFAOYSA-N 316.445 3.480 10 10 DGCE O=C(c1csc(Br)c1)N1Cc2cccc(O)c2C1 1455037329 PKMAMLUOQDNRNY-UHFFFAOYSA-N 324.199 3.372 10 10 DGCE Cc1cc(Cl)cc(C(=O)NCc2ccc(N(C)C)cc2)c1N 1623316245 QIKQZUWCDOPCKE-UHFFFAOYSA-N 317.820 3.227 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)c1cc(C)c(C=O)s1 1628860064 JUCDHYRKPWFBMQ-UHFFFAOYSA-N 316.426 3.173 10 10 DGCE C[C@@H](NC(=O)N[C@@H]1C[C@H]2C=C[C@H]1CC2)c1ccc(N(C)C)cc1 1634435443 NKKVJPGBYLMDDY-YQYZPQCESA-N 313.445 3.468 10 10 DGCE O=C(NCc1cccc(Cl)c1O)NC[C@@]12CCCC[C@H]1C2 1685297622 FRVQCRYXFGGWGB-LRDDRELGSA-N 308.809 3.425 10 10 DGCE [N-]=[N+]=N[C@@H]1CCN(C(=O)C=Cc2ccccc2Br)C1 1912193884 RBVNNCSDNZSEAJ-LLVKDONJSA-N 321.178 3.374 10 10 DGCE CC[C@H](C)N(C[C@H](N)c1ccccc1O)C(=O)OC(C)(C)C 1928469293 GTFZDQISDZIPOE-JSGCOSHPSA-N 308.422 3.428 10 10 DGCE C[C@H](O)c1ccc(N(C)C2CSC2)cc1Br 1936308197 KODHYWKMHFQKTN-QMMMGPOBSA-N 302.237 3.054 10 10 DGCE CC(C)(C)OC(=O)N1CC(C2(Nc3ccc(N)cc3)CC2)C1 1959368157 YLECBFLWKSLFPE-UHFFFAOYSA-N 303.406 3.080 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1Nc1ccc(N)cc1 1959372850 BFNLVHSGOYBBSY-SWLSCSKDSA-N 305.422 3.374 10 10 DGCE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CCN1CCCCN=[N+]=[N-] 1962305957 WAIUJBYQIHYQOZ-QWHCGFSZSA-N 311.430 3.407 10 10 DGCE CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H](CN(CCN=[N+]=[N-])C1)C2 1992826226 ISXQHZHRUKAJNU-CJNGLKHVSA-N 323.441 3.314 10 10 DGCE C[C@H](O)c1ccc(N2CC3(CC(F)C3)C2)cc1Br 2051892271 PDORBFYHGVRFEQ-VIFPVBQESA-N 314.198 3.441 10 10 DGCE C[C@@H](c1cc(Br)ccc1O)N(C)[C@]1(C)CCOC1 2055449151 RMWCLJAHZXOJQS-IINYFYTJSA-N 314.223 3.327 10 10 DGCE CNCc1ccc(N(C)Cc2cc(C)no2)cc1Br 2114163204 PMRZQNHBXOHOKU-UHFFFAOYSA-N 324.222 3.101 10 10 DGCE COc1cc(N)c(N(C)Cc2cc(Cl)ns2)cc1OC 2167207217 GWXMCWHYLVMEET-UHFFFAOYSA-N 313.810 3.032 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@H]1C[C@@H](n2cccn2)C1 2184162475 KTVYVCAYHLMHFA-TXEJJXNPSA-N 312.200 3.389 10 10 DGCE COCCCN(Cc1ccccc1)c1ccc(OC)cc1CO 2211293019 KUYCEYPTUJUHJH-UHFFFAOYSA-N 315.413 3.231 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@@H]1NC(=O)c1cscc1Br 2213588352 QIMPCADGEUETSV-IUCAKERBSA-N 315.196 3.472 10 10 DGCE C[C@@H]1C[C@H](C[C@@H](N)c2ccccc2O)CN1C(=O)OC(C)(C)C 2244087143 CPRHTRXKGIRJKZ-UMVBOHGHSA-N 320.433 3.428 10 10 DGCE C[C@H](CF)N(C)c1ccc(CNC2CC2)cc1Br 2257928850 OYAMUMQOUQTPDI-SNVBAGLBSA-N 315.230 3.495 10 10 DGCE CN[C@@H](c1cc(Cl)cs1)[C@@H](O)c1ccc(N(C)C)cc1 2290198592 COELPNSCYMNBRC-GJZGRUSLSA-N 310.850 3.462 10 10 DGCE OCc1ccc(N2CC=C(C(F)(F)F)C2)cc1Br 2318100224 YVPFRHQHEWYPNA-UHFFFAOYSA-N 322.124 3.250 10 10 DGCE Nc1cccc(Br)c1N[C@@H]1CCC12CCOCC2 2319244243 UEALQDBHSUFEDZ-GFCCVEGCSA-N 311.223 3.402 10 10 DGCE NC(=O)C1CCN(N=Nc2cc(Cl)ccc2Cl)CC1 2330293319 UMTHUEGEXORLBJ-UHFFFAOYSA-N 301.177 3.189 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 2353916674 ZTQRYHLTHHBGFC-OXDNQEBSSA-N 314.212 3.212 10 10 DGCE Cc1cc(CCNCc2cnn(C)c2)c(C)n1-c1ccccc1 15595171 VZAJAVSFBIRDFT-UHFFFAOYSA-N 308.429 3.160 10 10 DGCE Nc1ccc(CNC(=O)c2ccc(F)cc2Br)cc1 37666222 NEDGKVGSVVUESZ-UHFFFAOYSA-N 323.165 3.100 10 10 DGCE C[C@@H](Sc1nccs1)C(=O)Nc1ccc(Cl)c(N)c1 40676537 LWQBBGPRZWQPIY-SSDOTTSWSA-N 313.835 3.498 10 10 DGCE CC[C@H](C)N(CCOC)Cc1cc(Cl)cc(C(C)=O)c1O 42587368 GVXIQCFOJNZXMM-NSHDSACASA-N 313.825 3.495 10 10 DGCE COc1ccc(CNCc2ccccc2Br)c(O)c1 48820259 NGPZNNYOYKYGJJ-UHFFFAOYSA-N 322.202 3.453 10 10 DGCE C[C@@H](c1ccccc1O)N(C)S(=O)(=O)CC1CCCCC1 49043890 NCNADVNFDOSIQZ-ZDUSSCGKSA-N 311.447 3.295 10 10 DGCE C[C@H]1CC[C@@H](C)CN1C(=O)NCc1ccc(N(C)C)c(F)c1 73915655 GGBJZWTZQFZMCV-OLZOCXBDSA-N 307.413 3.222 10 10 DGCE CCN[C@H]1CCCN(c2ccc(OC)c(Br)c2)C1 88330762 DDEOWSBHMFVIHC-NSHDSACASA-N 313.239 3.036 10 10 DGCE C[C@H]1CN(Cc2cc(Br)ccc2O)CCS1 131301771 AFAPCOAJPXZEQF-VIFPVBQESA-N 302.237 3.092 10 10 DGCE CN(C)Cc1c(C(=O)Nc2ccc(N)cc2)oc2ccccc12 160404677 QLJQOCHTBOHWIB-UHFFFAOYSA-N 309.369 3.329 10 10 DGCE Cc1cc(Cl)cc(CNC[C@@H](C)Cn2ccnc2C)c1O 182462494 WOJOKIGCVVVCPE-LLVKDONJSA-N 307.825 3.285 10 10 DGCE Cc1cccnc1/C=C/C(=O)NCc1ccc2c(c1)CCCN2C 184462023 IURMZUODVOSFIW-CSKARUKUSA-N 321.424 3.102 10 10 DGCE C[C@H](NC[C@@H](C)Cn1ccnc1)c1cc2c(cc1O)CCCC2 185209386 HZESBKQJXDVSOC-CABCVRRESA-N 313.445 3.454 10 10 DGCE C=Cn1cc(/C=C2/SC(Nc3cccc(C)c3)=NC2=O)cn1 193123584 ZUVUGUZQCBDHIM-RIYZIHGNSA-N 310.382 3.374 10 10 DGCE Cc1cc(Cl)nc(Cl)c1NC(=O)c1ccc(O)c(O)c1 235812044 YSLDNKCJYVKSPP-UHFFFAOYSA-N 313.140 3.360 10 10 DGCE CCOc1ccccc1OC(=O)N(C(C)=O)c1ccc(N)cc1 243054532 IGWDXNLJPUUCTF-UHFFFAOYSA-N 314.341 3.219 10 10 DGCE C[C@@H](N[C@H]1C[C@H]2CC[C@H]1O2)c1cc(Br)ccc1O 248495104 KTJMBRDWEDEEGR-QLXFMQRKSA-N 312.207 3.125 10 10 DGCE COC(=O)/C=C/c1ccc(N2C[C@@H](C)CC[C@@H]2C)c([N+](=O)[O-])c1 301465732 XFFIAMGFYYJTHT-VOWYIILJSA-N 318.373 3.406 10 10 DGCE COCCCCN(C)c1ccc([C@@H](C)N)cc1Br 397205700 SLKJVKPVFZWXOU-LLVKDONJSA-N 315.255 3.332 10 10 DGCE COc1ccc(N(C)C(=O)/C=C/c2ccc(C)nc2)cc1F 492505379 QDEZPALRHCMBLT-RMKNXTFCSA-N 300.333 3.214 10 10 DGCE Nc1ccc(C[C@@H](O)Cc2ccc(Br)s2)cc1 696527079 GLGZGIMHUKSDQK-LLVKDONJSA-N 312.232 3.239 10 10 DGCE [N-]=[N+]=NCCCN[C@H](C(=O)O)c1ccsc1C(F)(F)F 704326317 JJRJUXSQGIQMMP-ZETCQYMHSA-N 308.285 3.183 10 10 DGCE CSC[C@H]1CCN(c2ccc(CO)cc2C(F)(F)F)C1 706757266 XFQCMASUJHXZDI-NSHDSACASA-N 305.365 3.387 10 10 DGCE COc1nscc1CN(C)c1ccc([C@H](C)N)cc1Cl 723215573 YCGAUFNAQVTNOL-VIFPVBQESA-N 311.838 3.461 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)C[C@@H](C)c2cccnc2)c1 734548239 CBVBSCGOYQOYFG-OLZOCXBDSA-N 314.385 3.167 10 10 DGCE C[C@H](NCC[C@H]1CCOC1)c1cc(Br)ccc1O 757656526 JHQSVQBRSBWFIJ-QWRGUYRKSA-N 314.223 3.232 10 10 DGCE C[C@@H](NCc1nc(-c2ccoc2)no1)c1ccc(N(C)C)cc1 775834910 VUWRXBSUZAJKFT-GFCCVEGCSA-N 312.373 3.246 10 10 DGCE O=C(c1cc(O)cs1)N1CCC[C@]2(C1)OCc1ccccc12 776295181 LWWWYDINPWFXHA-QGZVFWFLSA-N 315.394 3.115 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)c1csc(Cl)n1 781932509 WFSQJEOAAQJUOG-UHFFFAOYSA-N 309.822 3.101 10 10 DGCE CC(C)n1cc(CNCc2cc(Br)ccc2O)cn1 809712614 AVWNVCRGKVKWLW-UHFFFAOYSA-N 324.222 3.222 10 10 DGCE CC1(C)C(NCc2ccc(N3CCOCC3)c(F)c2)C1(C)C 809756721 WVEHXHUBIOXRSQ-UHFFFAOYSA-N 306.425 3.187 10 10 DGCE Oc1c(F)cc(Cl)cc1CNCc1nccc(C(F)F)n1 809782617 AOHIWUOSYOJAEW-UHFFFAOYSA-N 317.698 3.202 10 10 DGCE CCN(CC)c1ccc(CN2CC[C@]3(CCCNC3)C2)cc1 843117385 PCQQJIAXSKEFPG-IBGZPJMESA-N 301.478 3.108 10 10 DGCE COc1cccc([C@H](C)N[C@H](C2CC2)[C@H]2CCCCO2)c1O 848559251 QYGAIKDQVFJDFS-XGWLTEMNSA-N 305.418 3.399 10 10 DGCE COc1ccc(N2CC[C@@H](NCc3ccc(C)s3)C2)cc1 850346287 RSWQCMRHFKXFTH-CQSZACIVSA-N 302.443 3.434 10 10 DGCE CN(C)c1ccc(CN[C@H]2[C@@H]3c4ccc(F)cc4C[C@H]32)cc1F 850409299 QDRLVIQQKQHTOR-ATZDWAIDSA-N 314.379 3.459 10 10 DGCE Cc1cccc(OCCNC(=O)N[C@@H](C)c2ccccc2O)c1 866161783 WTKKAVNTCFAEMF-AWEZNQCLSA-N 314.385 3.140 10 10 DGCE C[C@@H](NCC[C@H]1CCC2(CCC2)O1)c1cc([N+](=O)[O-])ccc1O 927127315 GOFPJUAWPYSXTH-TZMCWYRMSA-N 320.389 3.443 10 10 DGCE C[C@H]1CC[C@@H](C)N(Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 1116444987 KPTWBHNDRFFBDG-JKSUJKDBSA-N 319.468 3.198 10 10 DGCE CN1CCCc2cc(CNC(=O)[C@@H]3CCC[C@H](F)C3)ccc21 1325880209 STLSUWCTJUTRNJ-CVEARBPZSA-N 304.409 3.214 10 10 DGCE O=[N+]([O-])c1cc(Cl)cc(CNC2C[C@H]3[C@H](C2)C3(F)F)c1O 1347355402 DFLNJURSLYAMDU-UWVGGRQHSA-N 318.707 3.087 10 10 DGCE COc1ccc(CCNCc2ccc(N3CCCC3)cc2)cn1 1348098764 MYEHAHSZJYGTNG-UHFFFAOYSA-N 311.429 3.023 10 10 DGCE Cc1ccc(O)c(CNC(=O)/C=C/c2ccnc(Cl)c2)c1 1470254363 FMZZYDRWIQUSFA-HWKANZROSA-N 302.761 3.079 10 10 DGCE C[C@@H]1CC[C@H]1NC(=O)N(C)Cc1ccc(N2CCCC2)cc1 1478604494 FBUBIESWYXDCCT-RHSMWYFYSA-N 301.434 3.227 10 10 DGCE O=C(Nc1c(Cl)ccc2nonc12)c1cccc2c1OCC2 1531534233 XQYBXILCYBZUJQ-UHFFFAOYSA-N 315.716 3.063 10 10 DGCE Cc1cc(CC(=O)N[C@H](C)C(F)F)c(C)n1-c1ccccc1 1536726346 IVKCQARDEFHHAE-GFCCVEGCSA-N 306.356 3.406 10 10 DGCE Cc1ccc(O)c(C(=O)NCc2c(O)ccc3ccccc23)c1 1558554277 OGYNKRBGBXDCAD-UHFFFAOYSA-N 307.349 3.489 10 10 DGCE O=C(NCc1cccc(Cl)c1O)c1ccc(O)c(Cl)c1 1653563691 JCIFLTKDOLFFSJ-UHFFFAOYSA-N 312.152 3.335 10 10 DGCE CCOC(=O)[C@@H](CC)N(Cc1ccc(N(C)C)c(C)c1)C1CC1 1654203711 MGZDEQVTNBYYIY-QGZVFWFLSA-N 318.461 3.367 10 10 DGCE COc1cc(N(C)CCc2cccs2)c([N+](=O)[O-])cc1OC 1655201929 ADJLEUSELFHOGT-UHFFFAOYSA-N 322.386 3.352 10 10 DGCE COC(=O)[C@@H](N[C@H](C)c1ccccc1O)c1ccc(F)cc1 1659815600 NXZAQJVCMSIDEY-BZNIZROVSA-N 303.333 3.096 10 10 DGCE O=C1/C(=C\c2ccccc2)C(C(F)(F)F)=NN1c1ccccn1 1865649939 MSQQGTBBDAKPFJ-BENRWUELSA-N 317.270 3.430 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]([C@](C)(N)c2ccccc2O)C1 1897793793 UPUITSHYCRXQEH-JCGVRSQUSA-N 320.433 3.260 10 10 DGCE C[C@H]1[C@@H](CNCc2cc(Br)ccc2O)C1(F)F 1947977374 GMLCZFVQSPVEJJ-OIBJUYFYSA-N 306.150 3.146 10 10 DGCE Nc1ccccc1N[C@@H]1CCN(C(=O)OCc2ccccc2)C1 1954644495 SIRLUPVHBSYGQX-OAHLLOKOSA-N 311.385 3.092 10 10 DGCE CP(C)(=O)[C@@H]1CC[C@@H](NCc2cc(F)cc(F)c2O)C1 1973922389 BJUUEGUQMCABDD-VXGBXAGGSA-N 303.289 3.304 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccccc2N)[C@H]2C[C@H]21 1974961202 SXOKUJOLLCHRSM-OSAQELSMSA-N 303.406 3.079 10 10 DGCE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(N)c1ccccc1O 1978246063 DVHKFQXYTXDDFK-SCLBCKFNSA-N 320.433 3.213 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@]2(CCN(CCCN=[N+]=[N-])C2)C1 1982246470 VLFYDCDXMMXRBG-INIZCTEOSA-N 323.441 3.410 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(N)cc2)C2(CCC2)C1 1992484945 AMZCFIYQJOLFEY-OAHLLOKOSA-N 318.417 3.437 10 10 DGCE CN(Cc1cc(Br)cc(F)c1O)CC(C)(C)F 2001373996 YKBVSXVYCUIHPU-UHFFFAOYSA-N 308.166 3.474 10 10 DGCE C[C@H](CN(C)c1ccc(CN)c(Br)c1)C(F)F 2012195961 NAMRWRHVFBABHL-MRVPVSSYSA-N 307.182 3.245 10 10 DGCE C[C@H](NCc1ccccc1O)c1nscc1Br 2013607689 PKXVTQQVPWGLCI-QMMMGPOBSA-N 313.220 3.462 10 10 DGCE CN(C[C@H]1C[C@@H]1C(F)F)c1ccc(CN)c(Br)c1 2041754349 FPBNPOZHGRSGEE-KOLCDFICSA-N 319.193 3.245 10 10 DGCE COC[C@@]1(C)CCN1c1ccc([C@H](C)O)c(Br)c1 2055909081 FLMLVISVUYBTEF-IINYFYTJSA-N 314.223 3.118 10 10 DGCE CNCc1cc(C2CCC2)nn1Cc1cccc(Cl)c1O 2070040998 SVPVAGPNZVDQDG-UHFFFAOYSA-N 305.809 3.277 10 10 DGCE Cc1cc(O)c([C@@H](C)n2nc(C)c(N)c2Br)cc1C 2079943529 DAXPFCFSZQOFGT-SNVBAGLBSA-N 324.222 3.468 10 10 DGCE Cc1cc(O)c([C@@H](C)n2nc(C3(C)CC3)c(C=O)c2N)cc1C 2080009143 YAKOVHOJAYZREV-GFCCVEGCSA-N 313.401 3.261 10 10 DGCE C[C@H](O)c1ccc(N(C)Cc2cnn(C)c2Cl)cc1Cl 2166119100 XPYFZVUOCXTPFG-VIFPVBQESA-N 314.216 3.417 10 10 DGCE CCCN[C@]1(C(=O)O)C[C@H](Sc2nccs2)CC[C@H]1C 2175746040 LKZMRRYFHCDXLQ-JTNHKYCSSA-N 314.476 3.247 10 10 DGCE COc1cc(Cl)cc(CN(C)C[C@H](OC)C(C)C)c1O 2188533847 FNOWXJYVGSFSBY-AWEZNQCLSA-N 301.814 3.157 10 10 DGCE COc1ccc(Br)c(CN2C[C@H](F)C[C@@H]2C)c1O 2220483600 KMJISYDGKFBDJN-DTWKUNHWSA-N 318.186 3.096 10 10 DGCE COc1ccc(Br)c(CN2C[C@H](C)C[C@@H]2C)c1O 2220488556 CJONWSNCWHMIRB-ZJUUUORDSA-N 314.223 3.394 10 10 DGCE C[C@H](c1cc(Cl)ccc1O)N(C)C[C@H](F)[C@@H]1CCOC1 2238367725 OAZJMXQTISHJAZ-GYSYKLTISA-N 301.789 3.413 10 10 DGCE COc1cccc(C=C2SC(=S)N(C3CC3)C2=O)c1OC 2323857961 IUMPAHDWSXZAOL-UHFFFAOYSA-N 321.423 3.067 10 10 DGCE CCOc1cc(C=C2C(=O)N(CC(C)C)N=C2C)ccc1O 2332094390 AEMGKJJGEBZKLY-UHFFFAOYSA-N 302.374 3.048 10 10 DGCE Cc1ccc(CNC[C@@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]4C3)c(O)c1Br 2352949291 BSSUBEWFCDVEHT-RKQHYHRCSA-N 322.246 3.455 10 10 DGCE C[C@H](CCSC[C@H](O)COc1ccc(N)cc1)C(F)F 2364126590 HAOYFJQMWBIDPT-ZYHUDNBSSA-N 305.390 3.033 10 10 DGCE C[C@H]1SCCN(c2ccc(CN)c(C(F)(F)F)c2)[C@@H]1C 132159205 YUZKWFMHAPUYLO-NXEZZACHSA-N 304.381 3.494 10 10 DGCE O=Cc1cc2c(O)csc2cc1I 306825033 WYAPVEVVAWDFGO-UHFFFAOYSA-N 304.108 3.024 10 10 DGCE Cc1nn(C)c(C)c1CCCN[C@@H](C)c1ccc(N(C)C)cc1 183483750 MCMMFZFKSRXRHM-AWEZNQCLSA-N 314.477 3.386 10 10 DGCE CC(C)CSCCN(C)Cc1ccc(N2CCOCC2)cc1 134897643 BYBUJXABIFTGBM-UHFFFAOYSA-N 322.518 3.344 10 10 DGCE CNCc1ccc(N2CCCSCC2)cc1Br 234436134 JUOUKLACDJJMLJ-UHFFFAOYSA-N 315.280 3.112 10 10 DGCE N[C@H](CCO)c1cc(Cl)c(OCc2ccccc2)cc1O 95781378 VRWJVVVAROVETP-CQSZACIVSA-N 307.777 3.007 10 10 DGCE CSc1ncc(CN[C@]2(C(=O)O)C[C@@H](C)CC[C@H]2C)s1 2371804396 LMEOPPPVZVXVFX-IMSIIYSGSA-N 314.476 3.234 10 10 DGCE Oc1ccc(Cl)cc1CN1CCO[C@H](c2nccs2)C1 92831536 MVKKCMPQGOVIDU-ZDUSSCGKSA-N 310.806 3.076 10 10 DGCE O=C(NCc1cc(Br)ccc1O)[C@H]1CC12CCCC2 804738782 DLASIRMZFYXADI-GFCCVEGCSA-N 324.218 3.351 10 10 DGCE COCC[C@@H](COC)N(C)[C@H](C)c1cc(Cl)ccc1O 2165962317 ZGIWIRFHAZOKHD-YPMHNXCESA-N 301.814 3.090 10 10 DGCE CN[C@@H](C)c1ccc(N2CCS[C@@H](C(F)(F)F)C2)cc1 721391374 UFCNHCKWFINTJX-GXFFZTMASA-N 304.381 3.451 10 10 DGCE CCN1C(=O)/C(=C\c2occc2Br)SC1=S 735304033 DEKGDSXXTNLPLA-VMPITWQZSA-N 318.217 3.263 10 10 DGCE Oc1ccc(Cl)c(F)c1CN1CCC[C@@H]([C@@H]2CCCN2)C1 843045346 NUUXCWMCAZCCRE-RISCZKNCSA-N 312.816 3.149 10 10 DGCE COc1c([N+](=O)[O-])ccc(CNc2n[nH]c(C(C)C)c2C)c1O 843426215 KZNBKQOBBYQZNO-UHFFFAOYSA-N 320.349 3.076 10 10 DGCE Cc1ccc(O)c([C@@H](C)NC[C@H]2CCC3(CCOCC3)O2)c1 927013728 LZKHVVWBTUYTBN-HUUCEWRRSA-N 305.418 3.079 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)NCC[C@@H]2CC[C@H]3C[C@H]23)cc1 927475568 BZHJSQPBEMVNEA-VHRBIJSZSA-N 300.362 3.015 10 10 DGCE COc1nccnc1CNCc1cc(C)n(-c2ccccc2)c1C 858294911 QYMRKTOEMAIALO-UHFFFAOYSA-N 322.412 3.183 10 10 DGCE CSCCCCC(=O)NCc1ccc2cccnc2c1O 862028032 NPPGCCAEDDQLQX-UHFFFAOYSA-N 304.415 3.090 10 10 DGCE O=C(N[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]21)c1cc(O)cs1 862530756 SJAGVMVKZUSPOL-FPMFFAJLSA-N 305.786 3.175 10 10 DGCE C[C@H](NCC[C@@H](O)C(F)F)c1ccc(N2CCCCC2)cc1 866442048 CKJYZHRMMZAETC-XJKSGUPXSA-N 312.404 3.344 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H](C)C(F)(F)F)c1 860242085 OWMLQHKWIVYRCB-RKDXNWHRSA-N 305.296 3.167 10 10 DGCE CCCCCCOCC(=O)NCc1ccc2cccnc2c1O 862028378 XCQNHFNJPPBNKM-UHFFFAOYSA-N 316.401 3.154 10 10 DGCE COCCN(CC(C)C)C(=O)c1cc2cc(O)c(O)cc2s1 895664875 CBCCNMBRMFJUHF-UHFFFAOYSA-N 323.414 3.057 10 10 DGCE CCc1nc([C@@H]2CCCCN2Cc2cc(F)cc(F)c2O)no1 893966440 AIPMJNWDEGIXBF-ZDUSSCGKSA-N 323.343 3.343 10 10 DGCE C[C@@H](CNCc1c(O)cccc1F)N(C)Cc1ccccc1 1958762995 LIGBESUUIKBJST-AWEZNQCLSA-N 302.393 3.141 10 10 DGCE CC1(C)C[C@]1(CNC(=O)c1cccc(O)c1O)c1ccccc1 1301307789 IAVPNZNIBWQUDH-IBGZPJMESA-N 311.381 3.196 10 10 DGCE CN(C(=O)OC(C)(C)C)[C@H]1C[C@@H]2CC[C@H](C1)N2CCN=[N+]=[N-] 1962303707 IVOQGFCJOBXOSK-CLLJXQQHSA-N 309.414 3.159 10 10 DGCE Cc1cc(CC(=O)O)c(C)n1-c1ccccc1Br 57652874 ATBCVYGSWPVYQY-UHFFFAOYSA-N 308.175 3.484 10 10 DGCE C[C@H](CNCc1cc(F)cc(F)c1O)N(C)Cc1ccccc1 708536290 YRBOLGAHINTLLZ-CYBMUJFWSA-N 320.383 3.281 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@@H]2CCCC[C@@H]2N(C)C)cc1 1347943212 WYJDDPIKJZXMDA-YMHTTXFNSA-N 301.478 3.228 10 10 DGCE C[C@@H](CCc1ccccc1F)C(=O)NCc1cccc(O)c1O 1348046717 IXKHWKVJLHMESD-LBPRGKRZSA-N 317.360 3.122 10 10 DGCE O=C(Cc1cc(F)ccc1F)NCc1cccc(Cl)c1O 1606860685 PTUHRTBVPRRBOY-UHFFFAOYSA-N 311.715 3.183 10 10 DGCE CCCN1N=C(C)/C(=C\c2ccc(Br)cc2)C1=O 1865680015 SEHXXLVHPXIMOS-UKTHLTGXSA-N 307.191 3.461 10 10 DGCE O=C(Cc1ccc(F)cc1F)NCc1cccc(Cl)c1O 1472316742 FWQYCQCDGARKAR-UHFFFAOYSA-N 311.715 3.183 10 10 DGCE CC[C@@H](CNC(=O)[C@@H](C)C1CC1)NCc1ccc(OC)c(C)c1 1494960242 IGYJCGCOTHZJEC-YOEHRIQHSA-N 318.461 3.034 10 10 DGCE Cc1ccc(C(=O)N[C@H]2CCCc3ccccc3C2)c(O)c1O 1639850832 ZEPDZYZATYWWGR-HNNXBMFYSA-N 311.381 3.084 10 10 DGCE CCOC1CN(C(=O)c2cc(C)n(-c3ccccc3C)c2C)C1 1636533296 IKXKYXZAXNFWEH-UHFFFAOYSA-N 312.413 3.263 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)c2cnc(Cl)c(Cl)c2)C1 1912192940 ARMRELSOGYXJMW-ZETCQYMHSA-N 300.149 3.161 10 10 DGCE Cn1ccc2c(C(=O)NCc3cc(Cl)ccc3O)cccc21 1644590916 VAVOFARBYRWIAE-UHFFFAOYSA-N 314.772 3.467 10 10 DGCE O=C(NCc1cc(O)ccc1O)c1ccc(C(F)F)cc1F 1643882264 RNJHKMFOTKSATJ-UHFFFAOYSA-N 311.259 3.105 10 10 DGCE Cc1cc(CN[C@@H](CO)c2cc(F)ccc2F)ccc1N(C)C 1655092840 NKRHGAMPRMKIPH-KRWDZBQOSA-N 320.383 3.162 10 10 DGCE CC[C@@H](C)CCNC(=O)N(C)CCN(C)c1ccc(OC)cc1 1686998037 IVCYOJVCESOOIR-OAHLLOKOSA-N 321.465 3.209 10 10 DGCE CCNCc1ccc(N2CC[C@H]3CC[C@@H](C2)N3C)c(Cl)c1 164143386 PQMNFLYXDABASS-CABCVRRESA-N 307.869 3.122 10 10 DGCE CN(C)C(=O)c1ccccc1NCc1cccc(Cl)c1O 165004608 FZWDBBOUFLRRPK-UHFFFAOYSA-N 304.777 3.360 10 10 DGCE CNCc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1C(F)(F)F 167339443 NSTMYWKZGVITTC-GHMZBOCLSA-N 302.340 3.038 10 10 DGCE CNCc1ccc(N(C)CCOC(C)C)cc1C(F)(F)F 167386157 JCIKFITVJZBZNX-UHFFFAOYSA-N 304.356 3.286 10 10 DGCE C[C@@H](c1ccc(O)cc1O)N(Cc1ccccc1)[C@H](C)C(=O)O 1902365976 MKECIDYUMVXMGR-QWHCGFSZSA-N 315.369 3.134 10 10 DGCE C[C@@H]1CCO[C@@H]1CCNCc1ccc(Br)cc1O 1918148008 YSJPHNOFDSZDSG-QMTHXVAHSA-N 314.223 3.059 10 10 DGCE Oc1c(Br)cccc1CN[C@H]1C[C@H]2C[C@H]1C[C@@H]2F 1967869647 TWZXHQLPQMAQKE-URBCHYCLSA-N 314.198 3.381 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1C[C@H](N[C@@H]2CCc3cccc(O)c32)C1 1938284063 XNJQTOIATBWTGZ-MGPQQGTHSA-N 318.417 3.025 10 10 DGCE CCCN[C@](CO)(CSc1nccs1)C[C@H](C)CC 2142625808 AXOCUAOROACLMD-TZMCWYRMSA-N 302.509 3.402 10 10 DGCE CC(C)(C)OC(=O)N1CCC(=O)[C@@H]1c1cccc(Cl)c1O 1951858379 VZKCCXOMMLTEMD-LBPRGKRZSA-N 311.765 3.297 10 10 DGCE O=C(O)[C@@]12C[C@@H]1CCCN2Cc1cc(Cl)cc(Cl)c1O 2143929546 UBZUBGPPOONQRV-LKFCYVNXSA-N 316.184 3.138 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[C@]21[C@H](N)c1ccccc1O 1983900277 CRJVIOYGGPGWHH-FSUOKIBISA-N 318.417 3.085 10 10 DGCE C[C@@H](CCO)N(Cc1ccccc1)c1ccc2c(c1)CC[C@@H]2O 1986602927 OKANMBQDLWYQNW-YWZLYKJASA-N 311.425 3.444 10 10 DGCE CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CCN2CCCN=[N+]=[N-] 1991821875 UFZRJTZHADXJDT-XJKSGUPXSA-N 323.441 3.456 10 10 DGCE CNCc1ccc(N2C[C@H](F)C[C@H]2C)cc1Br 1997675393 DPUGLALRZGCREE-MWLCHTKSSA-N 301.203 3.105 10 10 DGCE C[C@H]1C[C@@H](N(C)c2ccc(CN)cc2Br)CS1 2015487865 ZWTPTGPCMKNSBX-GXSJLCMTSA-N 315.280 3.238 10 10 DGCE OCCC1(NCc2cc(Cl)cc(Cl)c2O)CCCC1 285650943 YJUVIZUHSYEZAR-UHFFFAOYSA-N 304.217 3.484 10 10 DGCE CN1CCc2cc([C@H](N)c3ncc(Cl)cc3Cl)ccc21 2163078306 ICFXCYHDMVJVOA-AWEZNQCLSA-N 308.212 3.429 10 10 DGCE NCc1cc(F)c(N2CCC[C@H](CF)C2)cc1Br 711483962 ZJRKHQBKLXDVLX-SECBINFHSA-N 319.193 3.233 10 10 DGCE C[C@@H](c1ccc(F)cc1O)n1nc(C2CCCC2)cc1CN 2070137044 RFAOWMAUZXYYLO-NSHDSACASA-N 303.381 3.453 10 10 DGCE COc1ccc([C@@H](C)n2nc(C3CC3)c(CO)c2Cl)c(O)c1 2080006658 RCPUMHYSDGTVEV-SECBINFHSA-N 322.792 3.230 10 10 DGCE OCc1ccc(N2C[C@H]3CC[C@@](F)(C3)C2)cc1Br 2049313881 KXPGBJGOKMNPQD-IINYFYTJSA-N 314.198 3.270 10 10 DGCE CNCc1ccc(N2CC(C(C)(C)F)C2)cc1Br 2058564074 ZQQGSGMZHVOOGG-UHFFFAOYSA-N 315.230 3.353 10 10 DGCE Cc1cocc1CN(C)c1ccc(CO)cc1Br 2066415291 MMKNOOUMMMXCEN-UHFFFAOYSA-N 310.191 3.479 10 10 DGCE COC(=O)CCCSc1ncc(CNC(C)(C)C)s1 2099113306 PEHZSGNHLURIOV-UHFFFAOYSA-N 302.465 3.077 10 10 DGCE COc1ccc(N2CC[C@H](C(F)(F)F)[C@@H](N)C2)cc1Cl 2202997900 BGPKGAWIUHXTNE-ONGXEEELSA-N 308.731 3.065 10 10 DGCE CSc1ncc(CN2C[C@H](C(C)C)NC[C@@H]2C(C)C)s1 2284676277 HIUZFFKAEOXMQZ-ZIAGYGMSSA-N 313.536 3.319 10 10 DGCE CN[C@H](C)c1ccc(N(CCF)CCF)cc1Br 2317588708 DUEXTLTVBZTFTG-SNVBAGLBSA-N 321.209 3.475 10 10 DGCE CCC1=NN(Cc2ccccc2F)C(=O)C1=Cc1cccnc1 2332128604 KPUPHQRIZGDVGW-UHFFFAOYSA-N 309.344 3.413 10 10 DGCE O=[N+]([O-])c1ccc(O)c(CN2CCC[C@H](c3nccs3)C2)c1 170914408 LJRHWSZDASAJFC-NSHDSACASA-N 319.386 3.137 10 10 DGCE Cc1ccc(C(=O)Nc2ccc(O)cc2C(=O)O)cc1Cl 63021249 BLSXFGDHGQKYIP-UHFFFAOYSA-N 305.717 3.305 10 10 DGCE C[C@H](Nc1cccc(S(C)(=O)=O)c1)c1ccc(F)cc1O 62747694 TVZSSCGSOOTWPY-JTQLQIEISA-N 309.362 3.108 10 10 DGCE Cc1ccc([C@H](C)N[C@H]2CCc3nc(C(C)C)nn3C2)c(O)c1 185997219 PHTDOJKVHGIANK-KBPBESRZSA-N 314.433 3.081 10 10 DGCE Cc1cc(Cl)cc(CN2CC[C@H](CN3CCCC3)C2)c1O 180393187 LORYJXAUFJQYLO-CQSZACIVSA-N 308.853 3.272 10 10 DGCE Cc1ccc(O)c([C@H](C)NC2CCN(CCOC(C)C)CC2)c1 185637165 QRCZQQSRWLGZSV-INIZCTEOSA-N 320.477 3.241 10 10 DGCE CC(C)(C)OC(=O)N1CCCCC[C@H]1[C@@H]1CCCC(=O)C1=O 230416133 IIGHJVXNGXTEST-STQMWFEESA-N 309.406 3.104 10 10 DGCE CN(C)c1ccc([C@@H](Cc2c(F)cccc2Cl)NN)cc1 97700351 PNRWEXLFNBBYAG-MRXNPFEDSA-N 307.800 3.292 10 10 DGCE Cc1ccc(OCc2cc(F)cc(Br)c2)c(N)n1 93981025 XKAAABOALYPUPP-UHFFFAOYSA-N 311.154 3.453 10 10 DGCE CCO[C@H]1C[C@H](N(C)C(=O)Cc2ccc(N)cc2)C12CCCC2 236979146 VHQYVVXOFMCHIB-IRXDYDNUSA-N 316.445 3.008 10 10 DGCE CC[C@@H](NC[C@@H](CO)c1ccccc1)c1ccc(F)cc1O 286299437 WPLBYIHJPAHRTI-WMLDXEAASA-N 303.377 3.348 10 10 DGCE Oc1cccc(F)c1CNC(=S)NCCCCC(F)(F)F 905662134 SLJXFAHHXPJVPZ-UHFFFAOYSA-N 324.343 3.228 10 10 DGCE O=C(Nc1ccccc1)C1(N[C@H]2CCc3cccc(O)c32)CC1 834773320 FENVDZORYFZNIG-HNNXBMFYSA-N 308.381 3.140 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H](C)CC[C@H]1C 745828138 OMGHPAQNOJTUFC-DZGCQCFKSA-N 303.450 3.391 10 10 DGCE CN(C)c1ccc(CN[C@H](C2CCOCC2)C2CC2)cc1F 846043335 XMEBSNRDKRYQEG-SFHVURJKSA-N 306.425 3.187 10 10 DGCE COc1ccc(N(C)CCSc2ccncc2)cc1OC 929346565 BAFJEAXLVKQRSQ-UHFFFAOYSA-N 304.415 3.327 10 10 DGCE COc1ccc(N2CC[C@H](Nc3ncc(Cl)s3)C2)cc1 853758169 AXPIEHIATURTON-JTQLQIEISA-N 309.822 3.496 10 10 DGCE CCOC(=O)C1=CC[C@@H](N[C@H](CC)c2ccc(N(C)C)cc2)C1 858505597 NCOGGOHJMBCLGV-SJLPKXTDSA-N 316.445 3.445 10 10 DGCE CN(C)c1ccc(/C=C\CNc2ccc3c(c2)CCNC3=O)cc1 850346108 BEPDETXYAIWVIX-ARJAWSKDSA-N 321.424 3.164 10 10 DGCE O[C@]1(CNCc2ccc(N3CCCCC3)cc2)C[C@H]2C=C[C@H]1C2 850373578 AIRATHAHWOVCNY-BJLQDIEVSA-N 312.457 3.094 10 10 DGCE C[C@@H](NC(=O)C1(C(F)(F)F)CC1)c1ccc(N(C)C)cc1 773015488 PADPTSGKUPFGBJ-SNVBAGLBSA-N 300.324 3.272 10 10 DGCE O=C(N[C@H]1CCCC1(F)F)c1cc2cc(O)c(O)cc2s1 897770817 NPFXHJNIFOSRFN-LBPRGKRZSA-N 313.325 3.230 10 10 DGCE CCc1cccc2c(CC(=O)NCc3cc(O)ccc3O)c[nH]c12 1303225672 MOIDAJJEDREQGI-UHFFFAOYSA-N 324.380 3.000 10 10 DGCE O=C(NCc1c(O)cccc1F)N[C@@H]1C[C@H]1c1ccccc1F 1229867668 YMJNORVFKURQCP-XHDPSFHLSA-N 318.323 3.026 10 10 DGCE C[C@H](NC(=O)c1ccc2ccc(O)cc2c1O)c1ccccc1O 1302537943 BBPFPMXDYGHPJQ-NSHDSACASA-N 323.348 3.448 10 10 DGCE N[C@H]1CC=C(CN2CCCc3cccc(Br)c32)C1 713303289 SRCSMHFPDHXGMT-ZDUSSCGKSA-N 307.235 3.249 10 10 DGCE CC(C)N(C[C@@H](C)O)c1ccc([C@@H](C)N)c(Br)c1 691372892 AORMGVCFBYFATR-GHMZBOCLSA-N 315.255 3.064 10 10 DGCE O=C(NCc1c(Cl)cccc1Cl)c1ccc(O)c(O)c1 696968072 IUBKWOWOCBISQW-UHFFFAOYSA-N 312.152 3.335 10 10 DGCE Cc1cc(CC(=O)Nc2cnsn2)c(C)n1-c1ccccc1 1271758093 SFRBTKXHFBMMNC-UHFFFAOYSA-N 312.398 3.127 10 10 DGCE O=C(Nc1cscc1Br)c1cccc(O)c1O 1298586352 UXQJVYFLMSDRRV-UHFFFAOYSA-N 314.160 3.174 10 10 DGCE O=C(/C=C\COc1ccccc1)NCc1cc(Cl)ccc1O 1557386949 OLQVNTVZXDRGCK-DAXSKMNVSA-N 317.772 3.297 10 10 DGCE Cc1c(O)nc2ccccc2c1C(=O)N[C@H](C)c1ccccc1O 1557967694 JKVGGJVCBPPCNX-GFCCVEGCSA-N 322.364 3.445 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)c1cc(F)ccc1F 1639621556 KOSDPWPYBVESKS-UHFFFAOYSA-N 314.291 3.149 10 10 DGCE CN(Cc1ccccc1O)C(=O)c1cc(C(F)(F)F)ccn1 1635658217 LDFOVUNCOFATKD-UHFFFAOYSA-N 310.275 3.078 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H]1CC[C@@H](C)O1 1570152586 RBHUWRSJFXKJBO-KGLIPLIRSA-N 318.442 3.453 10 10 DGCE c1ccc2c(c1)ncn2CCNCc1ccc(N2CCCC2)cc1 1656217234 DWCMAMSFNRADIO-UHFFFAOYSA-N 320.440 3.426 10 10 DGCE Oc1cccc(Br)c1CN[C@@H]1CC[C@@H]2[C@H]1C2(F)F 1966007368 DOXBWVJAGIEIHT-HLUHBDAQSA-N 318.161 3.288 10 10 DGCE COc1ccccc1NC[C@@H](O)COc1ccc(Cl)cc1 5586887 IKYGFXICZJTZGC-CYBMUJFWSA-N 307.777 3.200 10 10 DGCE CN(c1ccc(O)cc1)[C@@H](CN)c1c(O)ccc2ccccc12 33453684 YCMAPTHTZSOUIV-KRWDZBQOSA-N 308.381 3.387 10 10 DGCE Nc1ccc(O[C@@H]2C[C@H]3CC[C@H]2CN3C(=O)c2ccccc2)cc1 259757554 ZQWMQJOVGBBZRR-KVSKMBFKSA-N 322.408 3.341 10 10 DGCE NCc1ccc(N(Cc2ccccc2)[C@H]2CCOC2)c(F)c1F 1915478371 WRWYKDNYWNKBMM-HNNXBMFYSA-N 318.367 3.219 10 10 DGCE CCN[C@@H](c1ccccc1O)c1csnc1Br 1925095526 QZNDAMDPYMWCIZ-NSHDSACASA-N 313.220 3.310 10 10 DGCE CN[C@@H](c1ccccc1O)[C@H]1CCCN1C(=O)OC(C)(C)C 1928475345 WYYOLNRUUGEMSV-HIFRSBDPSA-N 306.406 3.052 10 10 DGCE C[C@H](CNCc1cc(Cl)cc(Cl)c1O)c1ccn(C)n1 2147082178 YALKFXOHPRSOLW-SECBINFHSA-N 314.216 3.326 10 10 DGCE C[C@@H]1CC(F)(F)CN1Cc1cc(Br)ccc1O 2004637850 KRCDMTXASSDUIS-MRVPVSSYSA-N 306.150 3.384 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@]23CCC[C@]2(CN(CCN=[N+]=[N-])C3)C1 1982241267 GWRVKHDAWLYRPH-HOTGVXAUSA-N 321.425 3.020 10 10 DGCE CN[C@@H](c1sccc1Cl)[C@H](O)c1ccc(N(C)C)cc1 2148574662 UARFZKJBSQSOLC-ZIAGYGMSSA-N 310.850 3.462 10 10 DGCE Oc1ccccc1CNC[C@]12CC[C@@H]1CN(Cc1ccccc1)C2 2023085644 MZBAKCQPDDDWDH-CTNGQTDRSA-N 322.452 3.394 10 10 DGCE CN(Cc1cccc(Br)c1O)[C@@H]1COC(C)(C)C1 396548791 VNHLHPDCJKWPCV-NSHDSACASA-N 314.223 3.154 10 10 DGCE Cc1ccc(Cn2nc(C3CCCC3)cc2C(=O)O)c(O)c1 2069912913 LSBLTNPAWALTQE-UHFFFAOYSA-N 300.358 3.301 10 10 DGCE COc1ccc(O)c([C@@H](C)n2nc(C)cc2Br)c1 2070162131 WNLIFQUWHHVBOT-SECBINFHSA-N 311.179 3.278 10 10 DGCE COC[C@](C)(CN(C)[C@H](C)c1cc(Cl)ccc1O)OC 2198149521 CTUXXHKPWODXJK-ABAIWWIYSA-N 301.814 3.090 10 10 DGCE CCN[C@@H](C)c1cc(F)c(N(C)CC2CSC2)c(F)c1 2194688637 IYIIEBKKTKBOTJ-JTQLQIEISA-N 300.418 3.435 10 10 DGCE C[C@H](O)c1ccc(N2C[C@@H]3C[C@@H]3[C@H]3C[C@H]32)c(Br)c1 2053731594 XHJXOKOKMADWCO-YLYWLHNCSA-N 308.219 3.347 10 10 DGCE CO[C@@H]1CC[C@H](N(C)Cc2c(O)cccc2Br)C1 2067116400 ZYQHWVBPFVBMGD-WDEREUQCSA-N 314.223 3.154 10 10 DGCE C[C@H]1CCNC[C@H]1N(C)Cc1cc(Cl)cc(Cl)c1O 2107359011 KSBBUISUGXIDJX-TVQRCGJNSA-N 303.233 3.129 10 10 DGCE CSCC[C@@H](O)CCNCc1cc(Cl)cc(Cl)c1O 2090389180 ZTXVJOMCLFOHRP-NSHDSACASA-N 324.273 3.293 10 10 DGCE COc1ccc(N2CC[C@@H](NC(C)C)C2)c(Br)c1 2221624705 JCMTWTNYJUPMSB-LLVKDONJSA-N 313.239 3.034 10 10 DGCE OCc1ccc(N2C[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2)cc1Br 2224636696 QHIQOGFSSPKZCC-HGSJOUDDSA-N 320.230 3.200 10 10 DGCE CN[C@H](C)c1ccc(N(C)C2CSCCSC2)c(F)c1 2237060937 IXUOEBOWBLZBDD-LLVKDONJSA-N 314.495 3.391 10 10 DGCE [N-]=[N+]=N[C@@H]1CCN(Cc2c(Cl)nc(Cl)nc2Cl)C1 2255415803 FAIODBLJIAZICO-RXMQYKEDSA-N 307.572 3.321 10 10 DGCE CSc1ncc(CNc2ncc([N+](=O)[O-])cc2Cl)s1 2269193748 NYGKBNAZBQXWBM-UHFFFAOYSA-N 316.795 3.434 10 10 DGCE Cc1ncc(C=CC(=O)N(C)Cc2ccc(N(C)C)cc2)s1 2297543577 WRBIDIUTQMVBLJ-UHFFFAOYSA-N 315.442 3.189 10 10 DGCE CN(C)c1ccc([C@@H](O)c2cnsc2Br)cc1 2300340175 OXLUHPLOFYZGEV-LLVKDONJSA-N 313.220 3.053 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)Nc1cccc(-c2cnco2)c1 2307996734 PKOOHLJFNZOCPW-UHFFFAOYSA-N 322.320 3.405 10 10 DGCE CS[C@@H]1CC[C@H]1N(C)c1ccc(CO)c(Br)c1 2307888845 YJLXKXQETLFWJI-CHWSQXEVSA-N 316.264 3.272 10 10 DGCE Cc1ccc(CN(C)CCCCCO)c(O)c1Br 2327631747 XHPXJQYDDBFAIY-UHFFFAOYSA-N 316.239 3.058 10 10 DGCE COc1ccc(N2CC[C@H](CNCC(F)(F)F)C2)cc1Cl 107940716 ZRJVZDAIWZKXKJ-SNVBAGLBSA-N 322.758 3.327 10 10 DGCE CNC(=O)c1cccc2c1N[C@H](c1cccnc1)[C@@H]1CC=C[C@@H]21 20751179 BQTHGZRZHNLOQC-CKEIUWERSA-N 305.381 3.268 10 10 DGCE CN(C[C@@H](O)c1ccccc1Cl)c1ccc2c(c1)OCO2 121302738 DEKNQTVNSQGNCL-CQSZACIVSA-N 305.761 3.239 10 10 DGCE Cc1ccc2nc(CC(=O)O)c(/N=N\c3ccccc3O)n2c1 71590247 XFHBYPCFMKLSFM-HNENSFHCSA-N 310.313 3.391 10 10 DGCE CC(C)N(CCCOCC(F)(F)F)Cc1ccc(N)cc1 49312629 AWGRJTABFAZUEY-UHFFFAOYSA-N 304.356 3.448 10 10 DGCE Cc1ccc(O)c([C@H](C)NC2CC(NC(=O)OC(C)(C)C)C2)c1 227579530 BFZWYDSILDDJNP-HSBZDZAISA-N 320.433 3.407 10 10 DGCE CCCOc1ccc(CNc2ccc(C(=O)NC)cc2)c(O)c1 195070063 HHTQCBVGIYALCS-UHFFFAOYSA-N 314.385 3.153 10 10 DGCE CNCc1ccc(N(C)Cc2ccco2)cc1Br 234409175 GHZWOOQENROZKN-UHFFFAOYSA-N 309.207 3.398 10 10 DGCE CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1NCc1ccccc1O 230684977 AILHQXKBDJHKDC-UKRRQHHQSA-N 320.433 3.175 10 10 DGCE COc1ccc(CN2C[C@H](C)O[C@H](c3ccsc3)C2)c(O)c1 245765208 QQVNGRONYUBBQB-SJCJKPOMSA-N 319.426 3.424 10 10 DGCE Oc1cccc(Cl)c1CNC[C@H](n1cccn1)C(F)(F)F 527744248 PQAKEEGKHMUMJY-LBPRGKRZSA-N 319.714 3.135 10 10 DGCE Cc1cc(Cl)cc(CN(C)Cc2nncn2C(C)C)c1O 292686357 BAZYWAWMOXVRRQ-UHFFFAOYSA-N 308.813 3.158 10 10 DGCE CCOCc1nc([C@H](C)N[C@@H](CC)c2ccc(C)cc2O)no1 290183160 NSGXJGGFGNQJBD-JSGCOSHPSA-N 319.405 3.422 10 10 DGCE CCN1CCc2cc([C@@H](NC)[C@H]3CSCCS3)ccc21 2163073481 JPHWVXUYCUIHSS-HZPDHXFCSA-N 308.516 3.178 10 10 DGCE COc1ccc(N(C)Cc2nnc(C3CC3)s2)c(OC)c1 828474818 SGFWUOVSUWXAJL-UHFFFAOYSA-N 305.403 3.069 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2 739024944 OBJGQUVNGYHZFG-ZOBUZTSGSA-N 301.434 3.083 10 10 DGCE CCOc1cc(C(=O)NCc2ccc(N(C)C)cc2)ccc1C 733214622 DYEZZHRQJJZWCY-UHFFFAOYSA-N 312.413 3.390 10 10 DGCE C[C@H](NCc1cc(Cl)cc(Cl)c1O)c1ccnn1C 865839135 HJUOCNMAAATPJA-QMMMGPOBSA-N 300.189 3.283 10 10 DGCE CCc1cnc(CCNCc2ccc(N(C)C)cc2C)s1 840935101 FKIFBQUVXPKQSK-UHFFFAOYSA-N 303.475 3.412 10 10 DGCE CC(=O)C(C)(C)CCC(=O)NCc1ccc2c(c1)CCCN2C 746146678 IZLKPLOTQDSPOM-UHFFFAOYSA-N 316.445 3.081 10 10 DGCE CCOCc1cc(CNC2([C@H]3CCCCO3)CC2)ccc1OC 923026910 DQXDFFUQCMZUHR-GOSISDBHSA-N 319.445 3.423 10 10 DGCE O=C(O)CC[C@H](Cc1ccccc1)NCc1cccc(F)c1O 840998576 NJWOPODFOMELAG-OAHLLOKOSA-N 317.360 3.097 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)NCC[C@@H]2CC[C@@H]3C[C@H]23)c1 924387972 NURSYXOBATVTPP-BCUIYNNISA-N 318.417 3.197 10 10 DGCE C[C@H](NC[C@@H]1CNC[C@H]1C)c1ccc(N2CCCCC2)cc1 925793431 YQYZXMWTMORQJB-RYRKJORJSA-N 301.478 3.183 10 10 DGCE Oc1ccccc1[C@@H](CCc1ccccc1)NCC12CC(CN1)C2 854227420 OILACKSEMMNHLL-MOMVYJMYSA-N 322.452 3.408 10 10 DGCE COc1ccc(N2CC[C@H](N[C@H](C)c3cnccc3C)C2)cc1 850489221 SCXFUTDKFGVOME-CVEARBPZSA-N 311.429 3.328 10 10 DGCE Cc1ccc(C)c(CN(C)C(=O)/C=C/c2ccc(O)c(O)c2)c1 760547227 CXEBYHQSRUMGAD-VQHVLOKHSA-N 311.381 3.386 10 10 DGCE CCC1(N2CCCC2)CCN(C(=O)Nc2ccc(N)cc2)CC1 868164352 WYHCIJDJWMLQIQ-UHFFFAOYSA-N 316.449 3.141 10 10 DGCE C[C@H](NCc1ccn(C)n1)c1cc(Cl)c(Cl)cc1O 774264801 BUNILVWKRDGFJA-QMMMGPOBSA-N 300.189 3.283 10 10 DGCE CC[C@H](Cc1cccc(C)c1)C(=O)NCc1cccc(O)c1O 1123890553 ZUWGYBYTSWIERC-OAHLLOKOSA-N 313.397 3.291 10 10 DGCE Cc1cc(C)c([C@H](C)NCCc2c(C)nn(C)c2C)c(O)c1 788504804 DSXRPTNLQDUDMU-AWEZNQCLSA-N 301.434 3.253 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)NCC[C@H]2CCOC2)cc1 784590462 RYFILVQHRGGLJH-INIZCTEOSA-N 312.413 3.251 10 10 DGCE Oc1ccc(Cl)c(F)c1CN1CCC[C@H](OC(F)F)C1 792174390 UUEUOABRFBZIGP-QMMMGPOBSA-N 309.715 3.388 10 10 DGCE C[C@@H]1[C@@H](C)N(c2ccc(N)cc2)CCN1C(=O)OC(C)(C)C 1959561456 XWXIBMXYAJMYJS-CHWSQXEVSA-N 305.422 3.103 10 10 DGCE Nc1ccc(OCCC[S@@](=O)c2ccccc2Cl)cc1 40961690 FDOUUICQBJGPFA-FQEVSTJZSA-N 309.818 3.499 10 10 DGCE Nc1ccc(C[S@@](=O)c2ccc(Br)cc2)cc1 41067509 FHNIFNFYHNDIHS-KRWDZBQOSA-N 310.216 3.339 10 10 DGCE C[C@H](NC(=O)N[C@@H]1C[C@H]2[C@@H](C1)C2(F)F)c1ccc(N(C)C)cc1 1327534753 GJOPRZNOHPPCJM-FATJJJSSSA-N 323.387 3.157 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N1CCC(c2ccccc2)CC1 1441404698 KDRXAEZRWVWWQR-UHFFFAOYSA-N 311.381 3.047 10 10 DGCE Cn1cc(C(=O)NCc2c(O)cccc2F)c2cc(F)ccc21 1456031454 XKWJDFCJZUATAR-UHFFFAOYSA-N 316.307 3.092 10 10 DGCE CC/C(C)=C(/C)C(=O)N(C)CCN(C)c1ccc(OC)cc1 1530897851 UELJKNSPDWNXMT-PFONDFGASA-N 304.434 3.336 10 10 DGCE C[C@H](CCCc1ccccc1)C(=O)NCc1c(O)cccc1O 1558533805 KKZMPRXFZRCDJT-CQSZACIVSA-N 313.397 3.373 10 10 DGCE CC[C@H](Sc1ccccc1)C(=O)NCc1cc(O)ccc1O 1643881762 DJSGVQGUNPLDKW-INIZCTEOSA-N 317.410 3.285 10 10 DGCE COc1ccc2c(c1)C[C@H](C(C)C)CN2CCOC(=O)N(C)C 1654793615 RTGVQFTUVNHYOG-HNNXBMFYSA-N 320.433 3.028 10 10 DGCE COc1ccc(N(C)CCN(C)C2CC(OC(C)C)C2)cc1 1654948218 ZYFMOHXINCXZHN-UHFFFAOYSA-N 306.450 3.019 10 10 DGCE CO[C@H]1CCN(Cc2cccc(Br)c2O)C1(C)C 1914329729 CFXQNYPDNYKCKD-LBPRGKRZSA-N 314.223 3.154 10 10 DGCE COCCN([C@H](C)COC)[C@H](C)c1cc(Cl)ccc1O 250970711 FBVBXBYBRAMHAH-VXGBXAGGSA-N 301.814 3.090 10 10 DGCE O=C(O)[C@H](Nc1ccc(Br)cc1)c1ccccc1O 166123310 DREODLATCWHOLQ-CYBMUJFWSA-N 322.158 3.393 10 10 DGCE CCc1ccc2oc(=O)c(C(=O)Nc3ccc(N)cc3)c(C)c2c1 1866293747 CTDVURMNCXKHIY-UHFFFAOYSA-N 322.364 3.498 10 10 DGCE CCCN(c1ccc([C@@H](C)O)c(Br)c1)C1COC1 1915724414 VBMAXSLCDAEMKH-SNVBAGLBSA-N 314.223 3.118 10 10 DGCE COc1cccc(C(=O)Cc2ccc(N)cc2)c1Br 2142373583 CBHJHZMSKUTPLA-UHFFFAOYSA-N 320.186 3.465 10 10 DGCE NCc1ccc(N2CCCSC[C@H]2C(F)(F)F)cc1F 2143598397 NCBRQZFGFQEHON-LBPRGKRZSA-N 308.344 3.159 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2CC(Nc3ccc(N)cc3)C[C@H]2C1 1977699032 IWRNJPJUYFYYHJ-STQMWFEESA-N 317.433 3.326 10 10 DGCE C[C@H](CC[C@@H](N)c1ccc(N(C)C)cc1)NC(=O)OC(C)(C)C 1977946801 XOXHHQIPFZWVAG-CZUORRHYSA-N 321.465 3.446 10 10 DGCE Oc1cc(Br)ccc1CN[C@H]1C[C@H]1C(F)(F)F 1998619596 WVGAPTJMIROPFJ-BDAKNGLRSA-N 310.113 3.195 10 10 DGCE CN(C)c1ccc([C@@H](O)c2cc(Br)sn2)cc1 2007652672 HGNYKCRJMWNDMC-GFCCVEGCSA-N 313.220 3.053 10 10 DGCE CCCN(CCCO)c1ccc([C@H](C)N)c(Br)c1 2032100899 VIMISQIBCAWTLO-NSHDSACASA-N 315.255 3.068 10 10 DGCE Cc1cc(CN)ccc1N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 705947048 VCOIXVRSFGRCEL-BGYRXZFFSA-N 321.468 3.022 10 10 DGCE CN1CCCc2cc([C@H](NN)c3cscc3Cl)ccc21 2163095275 BKDLRQABIZJSMN-HNNXBMFYSA-N 307.850 3.337 10 10 DGCE CCOCCN(C)Cc1cc(Cl)cc(Br)c1O 708133093 HIMAVDCYGHPBLT-UHFFFAOYSA-N 322.630 3.276 10 10 DGCE CC(C)NCc1ccc(N2C[C@H]3C[C@@H]3C2)c(Br)c1 379553694 XVSYLQOZJUSCFP-CHWSQXEVSA-N 309.251 3.403 10 10 DGCE CNCc1ccc(N2CC[C@@H](SC)C2)cc1C(F)(F)F 382943373 JLXYFIQWYQYNFH-GFCCVEGCSA-N 304.381 3.367 10 10 DGCE Cc1cc(Cl)n(Cc2c(O)cccc2Br)n1 2070036476 WOTKORXRJLXNPZ-UHFFFAOYSA-N 301.571 3.361 10 10 DGCE O=C(O)c1cc(Br)c(C2=S=Nc3ccccc32)o1 2041916428 KDDIYLUBWYHALN-UHFFFAOYSA-N 324.155 3.220 10 10 DGCE CN(Cc1cc(Cl)ccc1O)[C@@H]1CO[C@@H](C(F)(F)F)C1 2185547449 WDEVBFJWKXLLSB-CMPLNLGQSA-N 309.715 3.197 10 10 DGCE CN(Cc1ccc(N)cc1)c1cccc(Br)c1N 2071643577 DOZBCWDZFYCLHZ-UHFFFAOYSA-N 306.207 3.250 10 10 DGCE COCCCCCCNCc1cccc(Br)c1O 2221361074 MWMVCHBWPPNQOW-UHFFFAOYSA-N 316.239 3.451 10 10 DGCE Cc1c(Br)ccnc1[C@@H](O)c1ccc(N(C)C)cc1 2272770496 WGPUCELQHDCVQJ-HNNXBMFYSA-N 321.218 3.300 10 10 DGCE C[C@@H](NC(=O)C=Cc1ccc(O)c(O)c1)c1cccc(F)c1F 2308009215 FMOFEPYSTJUMPC-SNVBAGLBSA-N 319.307 3.267 10 10 DGCE Cc1cc(C=CC(=O)N2CCC[C@H]2CO)c(C)n1-c1ccccc1 2310323504 GKECRJALWJDJJH-IBGZPJMESA-N 324.424 3.091 10 10 DGCE CCN1C(=O)C(=Cc2ccccc2Cl)C(C(=O)OC)=C1C 2313577444 WECXPSOWWUYRST-UHFFFAOYSA-N 305.761 3.033 10 10 DGCE CCN1C(=O)C(=Cc2ccc3cccnc3c2)SC1=S 2313830375 CXKUPSNKVGKTBL-UHFFFAOYSA-N 300.408 3.456 10 10 DGCE CNCc1ccc(N2C[C@@H]3C[C@H]2[C@@H]2C[C@@H]32)c(Br)c1 2308722628 NNQXWIGEFAVCSY-OHTBPHCPSA-N 307.235 3.013 10 10 DGCE Cc1cc(O)c(CN2CC[C@@H](CNc3ccccn3)C2)cc1C 92812593 KDHAAWHBBKUDPN-INIZCTEOSA-N 311.429 3.338 10 10 DGCE COc1ccc2c(c1)C1(CCNCC1)CN2Cc1ccccc1 107932240 QGQBEZFTYXARAN-UHFFFAOYSA-N 308.425 3.337 10 10 DGCE Cc1cc(C(=O)NC[C@@H]2CCCO2)c(C)n1-c1cccc(F)c1 131620301 AXNNCXDUMMWEIM-INIZCTEOSA-N 316.376 3.142 10 10 DGCE Nc1ccc(OCC[S@@](=O)Cc2ccc(Cl)cc2)cc1 166082003 ULAHPXUJNGGWMB-FQEVSTJZSA-N 309.818 3.250 10 10 DGCE Cc1cc(NCc2ccc(O)cc2O)cnc1Br 228836465 XQAHDDLPQKXRJE-UHFFFAOYSA-N 309.163 3.176 10 10 DGCE C[C@H](N[C@H]1C[C@H]2CC[C@H]1O2)c1ccc(Br)cc1O 248491099 IOFRPKJOJZYGDP-LGYCOIBBSA-N 312.207 3.125 10 10 DGCE CC(C)[C@@H]1C[C@H]1C(=O)NCc1cccc(Br)c1O 277584495 RUICBIMWMRPJMD-WDEREUQCSA-N 312.207 3.063 10 10 DGCE C[C@H]1C[C@H](C)N(c2cc(Br)c(CN)cc2F)C1 383940739 HAOPASCPFPWULK-IUCAKERBSA-N 301.203 3.282 10 10 DGCE C[C@H](N[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)c1c(O)cccc1O 394476291 AMAQXZUACAVHQV-SRVKXCTJSA-N 324.421 3.050 10 10 DGCE COc1ccc(Cl)c(O)c1[C@H](CC(C)C)N1CCOCC1 575302489 LAHRXRORDBZRHF-ZDUSSCGKSA-N 313.825 3.474 10 10 DGCE CO[C@H](COc1ccc2c(c1)c(C)c(C)n2C)[C@H]1CCOC1 664097931 HWOURQVOZDOYEZ-KBXCAEBGSA-N 303.402 3.225 10 10 DGCE CC(C)C[C@](C)(O)CNCc1c(O)cccc1Br 706828534 GTPBPIIXNBYLIK-AWEZNQCLSA-N 316.239 3.041 10 10 DGCE CN(Cc1cc(Cl)cc(Cl)c1O)[C@@H]1C[C@H]2CN[C@@H](C2)C1 709068515 KDJYKZCVBGOXSB-TVYUQYBPSA-N 315.244 3.271 10 10 DGCE CCc1cc(NC(=O)NCc2ccc(N3CCCC3)cc2)no1 740463067 GRGOGJPYPQSCKG-UHFFFAOYSA-N 314.389 3.159 10 10 DGCE Cc1cccc2c1C(=O)N[C@H](c1ccc3c(c1)CCCN3C)N2 748095596 KFMNQBQYYPGXPQ-GOSISDBHSA-N 307.397 3.232 10 10 DGCE C[C@H](CO)[C@@H](C)NCc1ccc2c(c1)CCN2Cc1ccccc1 796311233 VYNCZXYAKJENPV-IAGOWNOFSA-N 324.468 3.356 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCOC[C@H]1C 802304663 JGRYFCCKJNAKMH-ZBFHGGJFSA-N 320.433 3.129 10 10 DGCE COC(=O)CCCCCNCc1cc(Cl)cc(F)c1O 809727614 PUONFXXOOAIXID-UHFFFAOYSA-N 303.761 3.008 10 10 DGCE CC1CCN(c2ccc(CNC(=O)N3C[C@@H](C)[C@@H]3C)cc2)CC1 838375180 DBEQUIONOBDHIP-CVEARBPZSA-N 315.461 3.473 10 10 DGCE CC(C)[C@H](O)C1(CNC/C=C/c2ccc(N(C)C)cc2)CC1 842207639 OOHVKDZCGYKJDY-QWNKOJSDSA-N 302.462 3.153 10 10 DGCE COC(=O)c1ccc(O)c([C@H](C)N[C@H]2C[C@@H](OC(C)(C)C)C2)c1 842922430 WYHIIRRDDXZAQL-FPMFFAJLSA-N 321.417 3.176 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CC[C@]3(C2)CC3(F)F)c1O 844470443 HWTSIFOFJNZXAI-CQSZACIVSA-N 315.747 3.479 10 10 DGCE Oc1ccc(F)cc1CN[C@@H](C[C@H]1CCCO1)C(F)(F)F 848928195 WWZZJEVBOBYFAM-YPMHNXCESA-N 307.287 3.121 10 10 DGCE C[C@H]1CCC[C@H](CNCc2cc(Cl)cc([N+](=O)[O-])c2O)O1 850379802 YFRFNKYCFXIVRL-JOYOIKCWSA-N 314.769 3.001 10 10 DGCE CC(=O)NCc1ccc(CN[C@H](C)c2cc(F)ccc2O)cc1 850484145 DBYIRWCMZGZUSG-GFCCVEGCSA-N 316.376 3.018 10 10 DGCE C[C@H](N[C@H]1CCN(C2CCC2)C1=O)c1ccc2ccccc2c1O 858602988 ONUMZUWYTAJVIW-UGSOOPFHSA-N 324.424 3.349 10 10 DGCE C[C@@H]1C[C@H](N[C@H](C)c2ccc(Br)cc2O)[C@@H](C)O1 866442874 DQTCZHNDINHJKY-PRFIWBCESA-N 314.223 3.371 10 10 DGCE C[C@H](NC(=O)c1cccc2c1C(=O)CC2)c1ccc(N(C)C)cc1 867504705 YVRJNHATNNHCCO-ZDUSSCGKSA-N 322.408 3.373 10 10 DGCE C[C@H](CCCC(F)(F)F)NC(=O)NCc1c(O)cccc1F 922189026 IYCDDQTWHNEIAG-SECBINFHSA-N 322.302 3.452 10 10 DGCE C[C@@H](NC[C@H]1CNCCC1(F)F)c1cc2c(cc1O)CCCC2 925780798 GZLCINGRXBCCJU-IUODEOHRSA-N 324.415 3.166 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cc(Cl)no1 1135800621 JOBPRZCDVYJFPE-UHFFFAOYSA-N 319.792 3.200 10 10 DGCE CO[C@@H]1CCC[C@@H](C(=O)NCc2c(O)ccc3ccccc23)C1 1157041874 QKWMHFPMLASNRO-HUUCEWRRSA-N 313.397 3.367 10 10 DGCE C/C(=C/c1cccnc1)C(=O)N1C[C@H](C)Oc2c(F)cccc21 1269475779 XHAZAYXQUHQGLU-SUIFULHWSA-N 312.344 3.438 10 10 DGCE COc1ccc(CN[C@H]2C[C@@H](CNC(=O)CC(C)C)C2)cc1C 1488705809 VJZBSHNHGKMNOS-CALCHBBNSA-N 318.461 3.034 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@@H](C)[C@H]2CCCO2)cc1F 1543251563 SOCBEOFELISKDM-SUMWQHHRSA-N 322.424 3.103 10 10 DGCE Cn1nc(C2CC2)cc1C(=O)NCc1c(O)ccc2ccccc12 1558553974 AEAJBMZPNGBEMD-UHFFFAOYSA-N 321.380 3.086 10 10 DGCE C[C@@H](C(=O)NCc1c(O)ccc2ccccc12)c1ccncc1 1597743283 ZOUIUXVTZYAZIO-CYBMUJFWSA-N 306.365 3.360 10 10 DGCE Cc1ccc(C)c(C(=O)NCc2ccc3cccnc3c2O)c1 1639621765 SNPLJLMTEINHHD-UHFFFAOYSA-N 306.365 3.487 10 10 DGCE Cc1c(F)cccc1C(=O)NCc1ccc2cccnc2c1O 1639624908 OWXSVFOCGWYMOM-UHFFFAOYSA-N 310.328 3.318 10 10 DGCE C[C@@H](NC(=O)NC[C@H]1C[C@H]2C=C[C@H]1CC2)c1ccccc1O 1686839653 LJTCDCJOOHSKSB-CBBWQLFWSA-N 300.402 3.355 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]2CN(CCCCN=[N+]=[N-])CC[C@@H]21 1895301455 CDTGYCBCBLUIDP-KGLIPLIRSA-N 323.441 3.408 10 10 DGCE CN[C@H](c1ccccc1O)[C@H]1C[C@@H](C)N1C(=O)OC(C)(C)C 1913601226 JAJCZJWBXGEQQZ-UXIGCNINSA-N 306.406 3.051 10 10 DGCE Cc1cc(O)c([C@@H]2[C@H](N)CCN2C(=O)OC(C)(C)C)cc1C 1953003545 YJPDOEWRKNVHRK-UKRRQHHQSA-N 306.406 3.018 10 10 DGCE N[C@@H]1CC[C@H]2CN(Cc3cc(Cl)cc(Cl)c3O)C[C@@H]2C1 1969033611 FVJQQKIUHUGQDM-OUJBWJOFSA-N 315.244 3.258 10 10 DGCE C[C@@H]1COCC[C@H]1N(C)Cc1ccc(Br)cc1O 2031921345 SQRGSDUKTAXOPO-ZWNOBZJWSA-N 314.223 3.012 10 10 DGCE CC[C@@]1(C)C[C@H](NCc2c(O)cccc2Br)CO1 2069118454 SLMAHLCLFNFTCJ-HZMBPMFUSA-N 314.223 3.202 10 10 DGCE COC(=O)c1cc(C(C)C)nn1[C@@H](C)c1ccc(C)cc1O 2069940624 YDMQDHMKFVLZPX-LBPRGKRZSA-N 302.374 3.416 10 10 DGCE C[C@@H](c1ccc(F)cc1O)n1nc(-c2ccccc2)cc1CN 2070134546 OGTCKKGKFYICGY-LBPRGKRZSA-N 311.360 3.463 10 10 DGCE CCNC(=O)c1cc(C2CC2)nn1[C@H](C)c1ccc(C)cc1O 2070168346 ANGAOSSLQVGWNA-GFCCVEGCSA-N 313.401 3.134 10 10 DGCE CCc1nn([C@H](C)c2ccc(OC)cc2O)c(Cl)c1C=O 2079980571 GLLQFALJUWYVDW-SECBINFHSA-N 308.765 3.235 10 10 DGCE Oc1cc(Br)ccc1CNc1cccn2ccnc12 2120561046 KGEDQMGJOZZTBO-UHFFFAOYSA-N 318.174 3.415 10 10 DGCE COc1ccc(CNCc2nn(C)c(Cl)c2Cl)cc1C 2150748048 KDQVWOJMUHPNPQ-UHFFFAOYSA-N 314.216 3.334 10 10 DGCE C[C@@H](O)c1ccc(N2CCS[C@@H]3COCC[C@@H]32)c(Cl)c1 2170501669 COVFWUQSTJXUJE-WKPIXPDZSA-N 313.850 3.104 10 10 DGCE COc1cc(Cl)cc(CN[C@H]2CC23CC(F)(F)C3)c1O 2189420189 KYBBRYGXSMKQJE-NSHDSACASA-N 303.736 3.332 10 10 DGCE Nc1ccc(COc2nc(Cl)ncc2C(F)(F)F)cc1 2203676946 JHDJKQRDLDLMOQ-UHFFFAOYSA-N 303.671 3.310 10 10 DGCE CCCN1CCC([C@@H](C)NCc2cnc(SC)s2)CC1 2284691140 SALSKFHJXORPKT-GFCCVEGCSA-N 313.536 3.465 10 10 DGCE COc1cc(Cl)sc1[C@@H](O)c1ccc2c(c1)CCN2C 2295742591 FYGZCACWAJDHFI-AWEZNQCLSA-N 309.818 3.484 10 10 DGCE COc1cccc(N=Nc2c(C(=O)O)nc3c(O)cccn23)c1 2320774472 XVESVEGZZVLQTE-UHFFFAOYSA-N 312.285 3.162 10 10 DGCE C[C@H](Nc1ccc(Cl)c(C(N)=O)c1)c1ccc(O)cc1O 37046118 SXNLDHZKSAHSHP-QMMMGPOBSA-N 306.749 3.023 10 10 DGCE CCn1nc(C)c(Cl)c1C[C@H](N)c1ccc(N(C)C)cc1 97276616 OCKXZVXNMWJHQQ-AWEZNQCLSA-N 306.841 3.173 10 10 DGCE COC(=O)c1sccc1CN(C)c1ccc(OC)c(F)c1 121812648 FRNOFBVSWWPXMZ-UHFFFAOYSA-N 309.362 3.319 10 10 DGCE CCN(CC)c1ccc(CN2CC[C@@H](c3cnn(C)c3)C2)cc1 128536900 DGZOXCZVGZWZNG-QGZVFWFLSA-N 312.461 3.256 10 10 DGCE CCCNCc1ccc(N(C)C[C@@H]2CCCN2C)c(Cl)c1 164145417 BJQAZFITORVSBG-HNNXBMFYSA-N 309.885 3.370 10 10 DGCE CCc1nc(CN(c2ccc(OC)cc2)[C@H](C)C2CC2)n[nH]1 181758614 REFHNWILDNUWOJ-GFCCVEGCSA-N 300.406 3.181 10 10 DGCE COCc1cc(F)ccc1NC(=O)/C=C/c1ccc(O)c(O)c1 186422989 KHPSOSSFPAYDHG-XVNBXDOJSA-N 317.316 3.035 10 10 DGCE Cc1ccc(NC(=O)c2ccc(O)c(O)c2)cc1Br 227015938 DBXNSFKKMBCMAN-UHFFFAOYSA-N 322.158 3.421 10 10 DGCE [N-]=[N+]=NCCNC(=O)c1ccc(Cl)c(Br)c1 236044610 WQYWGLABQMHXNI-UHFFFAOYSA-N 303.547 3.143 10 10 DGCE CCCN1CCC2=NN[C@H](c3ccc(N(CC)CC)cc3)[C@H]2C1 242823359 FMDAZSHZCOYBLI-PKOBYXMFSA-N 314.477 3.265 10 10 DGCE CC(=O)N(C(=S)Nc1ccc(O)cc1C)c1ccc(N)cc1 243478163 NMZOQRPCMBDUNT-UHFFFAOYSA-N 315.398 3.033 10 10 DGCE C[C@H](NC[C@@H]1COc2ccccc2O1)c1ccc(F)cc1O 315830194 AEBNMSIJYFGFTA-WCQYABFASA-N 303.333 3.022 10 10 DGCE CCN[C@H]1C(=O)Nc2cc(N(Cc3ccccc3)C3CC3)ccc21 383587641 QJPSPSAOEOCEPW-LJQANCHMSA-N 321.424 3.458 10 10 DGCE COCCN(Cc1ccccc1)c1ccc([C@@H](C)N)cc1F 384392561 YBBKFFXSLCTIAZ-CQSZACIVSA-N 302.393 3.498 10 10 DGCE C[C@H](NC[C@@]1(C)COc2ccccc2O1)c1ccc(F)cc1O 527930977 IUYHWHACKUNIOK-SGTLLEGYSA-N 317.360 3.412 10 10 DGCE CC(C)C[C@H](c1c(F)ccc(Cl)c1O)N1CCNCC1 575284989 OXDSAQVSOHYDOY-CYBMUJFWSA-N 300.805 3.177 10 10 DGCE CC[C@H]1C[C@@H](N(C)Cc2cc(Br)ccc2O)CO1 688539195 YERONANLBPQMBA-OLZOCXBDSA-N 314.223 3.154 10 10 DGCE C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CC[C@@H]1N(C)C 693631679 VYNAIDWSFDSZRT-HZMBPMFUSA-N 317.260 3.471 10 10 DGCE C[C@H](NCC1CN(Cc2ccccc2)C1)c1ccc(F)cc1O 716269152 JITFKJRYNUNPIZ-AWEZNQCLSA-N 314.404 3.314 10 10 DGCE Nc1ncc(F)cc1OCc1ccc(F)c(Br)c1 723417835 SIHLDQNPFRBMRJ-UHFFFAOYSA-N 315.117 3.284 10 10 DGCE Cc1cc(C[C@H](C)N[C@@H]2C[C@@H](C)c3c(F)ccc(O)c32)n[nH]1 756764332 GGSHYFICUVYOAF-ISTVAULSSA-N 303.381 3.332 10 10 DGCE Cc1ccncc1CN(C)Cc1cc(Br)ccc1O 793339478 LKHUYVXDLBEGOA-UHFFFAOYSA-N 321.218 3.490 10 10 DGCE O=S(=O)(Nc1ccc(N=Nc2ccccc2)cc1)N1CCC1 795276936 VSTSJKUVURNPSS-UHFFFAOYSA-N 316.386 3.464 10 10 DGCE C[C@H](NC[C@@H](CO)c1cccnc1)c1ccc2ccccc2c1O 806179461 ROAMVXLVCJPJGW-YOEHRIQHSA-N 322.408 3.367 10 10 DGCE COC[C@@H](CC(C)C)NCc1cc(Br)ccc1O 809713399 OVUFZEZXRLUQND-CYBMUJFWSA-N 316.239 3.305 10 10 DGCE CO[C@H](CCNCc1cc(Cl)c(F)cc1O)C(F)(F)F 816588305 KPAYXYAIHBJPMH-LLVKDONJSA-N 315.694 3.242 10 10 DGCE CCN(CC)c1ccc(CNC(=O)/C=C/[C@H]2CCCO2)cc1F 819261137 ZWWLMWRQKRDKLB-TUPIDYKKSA-N 320.408 3.023 10 10 DGCE CC(=O)c1cc(F)cc(CN2CCOCC23CCCCC3)c1O 832175010 GTBTWYDCZPJKTA-UHFFFAOYSA-N 321.392 3.269 10 10 DGCE CN(C)c1ccc(/C=C/CNC[C@H](CO)Cc2ccccc2)cc1 835035160 HSHMJSUDVBHHFT-AQDCRGGLSA-N 324.468 3.207 10 10 DGCE CN(C)c1ccc(/C=C/CN(C)[C@@H](CO)c2ccccc2)cc1 835053458 COWRAVANZPVKHC-DUIUGDAFSA-N 310.441 3.431 10 10 DGCE CN(C)c1ccc(/C=C\CNCC[C@]2(O)C[C@H]3CC[C@H]2C3)cc1 835057150 YPTUUMULYGPFHV-LJNMZNKLSA-N 314.473 3.297 10 10 DGCE COc1cc(Br)cc([C@@H](C)N[C@@H]2CC23CC3)c1O 848553928 RNBQOBXQODYQCL-PRHODGIISA-N 312.207 3.366 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@H](C)CC3CCOCC3)C2)cc1 850486170 ABAAYYIZYIZAKD-NVXWUHKLSA-N 318.461 3.069 10 10 DGCE C[C@H](NCc1cc(F)c(N(C)C)cc1F)[C@@H](O)c1ccccc1 858164685 CTMRTTUJJPIHQX-KPZWWZAWSA-N 320.383 3.243 10 10 DGCE C[C@@H]1SCCN(C(=O)c2cc3cc(O)c(O)cc3s2)[C@@H]1C 896445188 NSARYWWQCQDQFG-BDAKNGLRSA-N 323.439 3.279 10 10 DGCE C[C@H](N[C@H](CO)CCc1ccccc1)c1cc(F)ccc1O 903289714 NAPDHLYOWOSLLT-BBRMVZONSA-N 303.377 3.176 10 10 DGCE CC1CCN(c2ccc(CN[C@H](C)[C@@H]3[C@H]4CN[C@H]3C4)cc2)CC1 925556953 NBCRDFADNFROMK-WSTLGDPDSA-N 313.489 3.009 10 10 DGCE CCC(CC)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 1134882648 SPAFQZLCWFRDMH-GOSISDBHSA-N 319.493 3.298 10 10 DGCE O=C(CSc1ccc(F)cc1)N1Cc2cccc(O)c2C1 1152565626 PGZAJQDSYVYOBW-UHFFFAOYSA-N 303.358 3.166 10 10 DGCE CCc1ncoc1C(=O)NCc1cc(Cl)cc(Cl)c1O 1160599777 NRGWGFGVBPMYMT-UHFFFAOYSA-N 315.156 3.179 10 10 DGCE Cc1cccc(CN[C@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)c1O 1168831296 UXGFYPNISQYHAB-ZFWWWQNUSA-N 320.433 3.188 10 10 DGCE COc1cccc(/C(C)=C/C(=O)NCc2c(O)cccc2F)c1 1178413461 SEHSAWHAJLYUOY-FMIVXFBMSA-N 315.344 3.260 10 10 DGCE C[C@@]1(C(F)F)CN(Cc2ccc(N3CCCC3)cc2)CCO1 1330219519 DKQPJUIXKKTGIT-KRWDZBQOSA-N 310.388 3.143 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@@H]2CC[C@@H]2C)cc1 1331730040 IHAJKSDPJGJLHN-ORAYPTAESA-N 324.424 3.364 10 10 DGCE C[C@@H]1C[C@@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)[C@@H](C)O1 1351674690 XNOKYHPUIBQGOS-IIDMSEBBSA-N 316.445 3.059 10 10 DGCE CCOC(=O)CN(Cc1ccc(N(C)C)c(C)c1)CC(C)C 1459420344 SAJZWFFHHFAVSG-UHFFFAOYSA-N 306.450 3.082 10 10 DGCE CC[C@H](CNC(=O)[C@@H](C)C1CC1)NCc1ccc(OC)c(C)c1 1494960239 IGYJCGCOTHZJEC-WMLDXEAASA-N 318.461 3.034 10 10 DGCE COc1ccc(CNCCC[C@@H](C)NC(=O)C2CCC2)cc1C 1506909805 WOYUDERRKJVYND-OAHLLOKOSA-N 318.461 3.178 10 10 DGCE CC(=O)c1c(C)cc(NC(=O)c2c(F)ccc(O)c2O)cc1C 1559029248 XCBDIOYCFKETHV-UHFFFAOYSA-N 317.316 3.309 10 10 DGCE Cc1ccc(C[C@H](C)NC(=O)Cc2ccc(O)c(O)c2)c(C)c1 1585960974 IJJKRTZNTPRATG-AWEZNQCLSA-N 313.397 3.005 10 10 DGCE COC1CN(C(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C1 1586091822 ZBCGTIRKFQHONZ-UHFFFAOYSA-N 312.413 3.182 10 10 DGCE Cc1ccn(-c2cccc(C(=O)N[C@@H](C)c3ccccc3O)c2)n1 1587451080 HHYIXUZEAQFFAW-AWEZNQCLSA-N 321.380 3.377 10 10 DGCE COc1cc(C(=O)N[C@@H](C)c2ccccc2O)c2ccccc2n1 1587451264 NXRBLKZFSCMAFG-LBPRGKRZSA-N 322.364 3.440 10 10 DGCE Cc1ccc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c(O)c1O 1628946349 YNUJKMREDADIRE-BFHYXJOUSA-N 303.402 3.495 10 10 DGCE C[C@H](NC(=O)C[C@@H](O)c1ccc(Cl)cc1)c1ccccc1O 1643745358 MGTAEOHEAAUMPS-MEDUHNTESA-N 319.788 3.347 10 10 DGCE Cc1cncc(CNCc2c(O)cccc2Br)c1 1657066821 SDRREVZUSWVHJF-UHFFFAOYSA-N 307.191 3.148 10 10 DGCE Nc1ccc(NC(=O)Nc2csnc2Br)cc1 1925107326 LPXNJJOIXZLWFB-UHFFFAOYSA-N 313.180 3.132 10 10 DGCE CC[C@H](CO)[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1927309742 ORKHIIAKZQBLBZ-CJNGLKHVSA-N 322.449 3.337 10 10 DGCE C[C@@H](NCc1c(O)cccc1Br)[C@@H]1CCSC1 1942257837 ZVLMVDCRACKZOR-NXEZZACHSA-N 316.264 3.386 10 10 DGCE C[C@H](O)c1ccc(N2CC3(CSC3)C2)cc1Br 1942546840 QBDIOBVFRJIAHU-VIFPVBQESA-N 314.248 3.056 10 10 DGCE C[C@@H]1CC[C@@H](Nc2ccccc2N)CN1C(=O)OC(C)(C)C 1959358649 DBXAOJJISSIYPQ-CHWSQXEVSA-N 305.422 3.469 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2[C@H](Nc3c(N)cccc3Cl)[C@H]2C1 1959377477 OSBRHDCMPFIYEP-IWIIMEHWSA-N 323.824 3.199 10 10 DGCE COC[C@](C)(NCc1c(O)cccc1Br)C1CC1 1965993931 NMHJELIMCPJKLX-AWEZNQCLSA-N 314.223 3.059 10 10 DGCE [N-]=[N+]=NCC1(CNC(=O)C2CC(OCc3ccccc3)C2)CC1 1982143019 ZJEHCIIDELRWLU-UHFFFAOYSA-N 314.389 3.189 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@](N)(c2ccccc2O)[C@@H]1C(C)(C)C 1991352479 GOGPSZSSXLTYCJ-KBXCAEBGSA-N 320.433 3.212 10 10 DGCE C[C@@H](F)[C@H]1CCCN1c1ccc(CN)c(Br)c1 2010593102 UUQZDLKKFIYQTI-NOZJJQNGSA-N 301.203 3.235 10 10 DGCE CN(c1cc(Br)c(CN)cc1F)C1CC(F)(F)C1 2029177522 JVQFNBXRTLUBMH-UHFFFAOYSA-N 323.156 3.281 10 10 DGCE N=C(NO)c1cc(F)c(Cl)cc1Sc1nccs1 2064637394 HDMGIHUTLKHHCE-UHFFFAOYSA-N 303.771 3.391 10 10 DGCE COc1ccc(Cn2nc(C3CCCC3)cc2C(=O)O)c(O)c1 2069914998 XKZBSWBEDHJRME-UHFFFAOYSA-N 316.357 3.001 10 10 DGCE C[C@@H](N)c1ccc(N2CC(O)(c3ccsc3)C2)c(Cl)c1 2193362216 FCRWQSVWCSYDNP-SNVBAGLBSA-N 308.834 3.129 10 10 DGCE CC[C@H](C)C[C@](CSc1nccs1)(NC1CC1)C(=O)O 2207923764 QEPSVZMHAUUWDH-IINYFYTJSA-N 314.476 3.247 10 10 DGCE CCC[C@@H](C)NCc1c(Br)ccc(OC)c1O 2214869104 UVBLYWJQWNKJSE-SECBINFHSA-N 302.212 3.442 10 10 DGCE Cc1ccc(N2NC(=O)C(=CC=Cc3ccccc3)C2=O)cc1C 2297320541 KYKPWDBYAFAJCY-UHFFFAOYSA-N 318.376 3.321 10 10 DGCE Cc1ccc(CN2C[C@@H](F)C[C@@H]2C)c(O)c1Br 2307572263 ULOSTJYZVRNMMO-ONGXEEELSA-N 302.187 3.395 10 10 DGCE Cc1ccc(CN[C@@H](C)c2cn[nH]c2)c(O)c1Br 2327798518 IVMMSABGLJJRNA-VIFPVBQESA-N 310.195 3.037 10 10 DGCE CC1=NN(Cc2ccc(Cl)cc2)C(=O)C1=Cc1cccn1C 2332127513 FLNFANHGLDEKBM-UHFFFAOYSA-N 313.788 3.480 10 10 DGCE Nc1cc(Cl)c(N2C(=O)[C@H]3CCC[C@H](C3)C2=O)c(Cl)c1 2365777820 BYQHIOCAWAPPRT-OCAPTIKFSA-N 313.184 3.255 10 10 DGCE CS(=O)(=O)c1ccc(Cl)c(NCc2ccccc2O)c1 36955243 VVQRAXYMFYPKLI-UHFFFAOYSA-N 311.790 3.061 10 10 DGCE COc1cc(Cl)ccc1C(=O)N(C)Cc1ccc(N)cc1 43564697 LJJSENRVJFPDPM-UHFFFAOYSA-N 304.777 3.203 10 10 DGCE CCc1nc([C@@H](N)c2ccc3c(c2)CCCN3C)sc1C 50287814 ZYVDJPQMUCCMNB-INIZCTEOSA-N 301.459 3.444 10 10 DGCE NCc1ccc(N2CCC(N3CCCCC3)CC2)c(Cl)c1 62792974 MGWCNBUBJHFHQM-UHFFFAOYSA-N 307.869 3.253 10 10 DGCE O=C1c2ccccc2N[C@@H](c2ccccc2O)N1C[C@@H]1CCCO1 70869162 FOJCLPBXRNXUDR-SCLBCKFNSA-N 324.380 3.138 10 10 DGCE C[C@H](NC(=O)/C=C/c1ccc(N2CCOCC2)cc1)C(C)(C)C 78652398 AJNJWEUAGHFYGI-VSGCLNPGSA-N 316.445 3.087 10 10 DGCE CC1(C)c2ccccc2N2CCC(=O)N[C@@]21/C=C\c1cccnc1 103908068 KCMDCTVPBIDKAE-XADARROHSA-N 319.408 3.109 10 10 DGCE CSc1ccc(O[C@H](C)C(=O)Nc2ccc(N)cc2)cc1 110981410 RVKMXDMOCBUTQV-LLVKDONJSA-N 302.399 3.397 10 10 DGCE CCN[C@H]1C(=O)Nc2cc(N(C)[C@@H](C)C(C)C)c(Cl)cc21 118705407 QEZRYDXCBIQLMJ-ZUZCIYMTSA-N 309.841 3.423 10 10 DGCE CNCc1ccc(N(C)C2CCOCC2)cc1C(F)(F)F 167360855 OEOWKBOHPZOSJL-UHFFFAOYSA-N 302.340 3.040 10 10 DGCE CN[C@@H]1C(=O)Nc2cc(N(C)[C@@H](C)c3cccs3)ccc21 219963916 YCZHIYKDJSJFSP-BONVTDFDSA-N 301.415 3.158 10 10 DGCE CNCc1ccc(N(C)[C@H](C)CSC)cc1Br 234408206 IZNAVUJTHWEJNG-SNVBAGLBSA-N 317.296 3.356 10 10 DGCE CCO[C@@H]1C[C@@H](N[C@H](CC)c2ccccc2O)C12CCOCC2 248544582 DPXQHJOQHMZNNR-KBAYOESNSA-N 319.445 3.407 10 10 DGCE CS[C@H]1CCCN(c2ccc(CN)c(Br)c2)C1 383027012 JMZPQNNWLABJTH-LBPRGKRZSA-N 315.280 3.240 10 10 DGCE N[C@H](CF)c1cc(Br)cc(C(F)(F)F)c1O 396478554 YWMQKRPFKPYZHX-SSDOTTSWSA-N 302.065 3.143 10 10 DGCE CC(=O)c1cc(Cl)cc(CN[C@@H]2[C@H](C)O[C@@H](C)[C@@H]2C)c1O 528759674 VFEXKFPYCRYCEW-KNSQEALPSA-N 311.809 3.150 10 10 DGCE COc1cc(Cl)cc(CNCCC2SCCS2)c1O 693785767 UJPGKFCWSSHXPK-UHFFFAOYSA-N 319.879 3.340 10 10 DGCE C[C@H]1CN(Cc2c(O)cccc2Br)CC[C@@H](C)O1 707144984 CKUQNERLBZUWCO-MNOVXSKESA-N 314.223 3.154 10 10 DGCE C[C@@H](O)c1ccc(N(C)CC2CSC2)cc1Br 718413309 PCPVRRIISDYOFA-SECBINFHSA-N 316.264 3.302 10 10 DGCE Oc1cc2c(cc1CN1CCC[C@@H](N3CCCC3)CC1)CCC2 738273108 WPUVLJRBZRNHNX-LJQANCHMSA-N 314.473 3.331 10 10 DGCE COc1cc(CN2CC[C@@H](CC(F)(F)F)C2)c(O)cc1C 766115383 FMBLIXRWLFZPOM-NSHDSACASA-N 303.324 3.484 10 10 DGCE Cc1cc(Cl)cc(CNCCc2cnc(C3CC3)nc2)c1O 776252669 FJZBEGFFQORHAK-UHFFFAOYSA-N 317.820 3.354 10 10 DGCE CCOC[C@H](C)N[C@H](C)c1ccc(Br)cc1O 779073002 NCQPGLCHELWRMP-VHSXEESVSA-N 302.212 3.230 10 10 DGCE CN(C)c1ccc(CNC[C@H]2CCC[C@@H]2O)c(C(F)(F)F)c1 793003967 JFYVAQXHUOPZAW-DOMZBBRYSA-N 316.367 3.022 10 10 DGCE COCc1nnc(NCc2cc(Cl)cc(Cl)c2O)s1 808090240 VRESPANTZPUMHO-UHFFFAOYSA-N 320.201 3.309 10 10 DGCE CC[C@H](NCc1c2c(nn1C)CCCC2)c1ccc(F)cc1O 812736983 LCIFVONUAUOOFL-HNNXBMFYSA-N 317.408 3.385 10 10 DGCE CCn1cc(NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)cn1 821835832 UBPOOLNKCMMMKM-UHFFFAOYSA-N 322.412 3.492 10 10 DGCE CCOc1ccc(CN2CCC3(CCC(O)CC3)CC2)c(O)c1 824520878 DBCDNQXTTZUHEX-UHFFFAOYSA-N 319.445 3.308 10 10 DGCE O=C(NCc1cc(Cl)cc(Cl)c1O)NC1C[C@@H]2C[C@H]2C1 824850366 ZFIYAHDCXAGWNS-YUMQZZPRSA-N 315.200 3.297 10 10 DGCE COc1cc(CN2CC3(CCOCC3)C2)c(O)c(C(C)(C)C)c1 826113092 IBYKWAJBPJLVKS-UHFFFAOYSA-N 319.445 3.311 10 10 DGCE CCN(CC)c1ccc(CN2C[C@H](C)[C@@H](O)[C@H](C)C2)cc1F 827151573 FYRMKHZBCHKSTQ-UOIKSKOESA-N 308.441 3.121 10 10 DGCE CN(C)c1ccc(/C=C/CN(C[C@@H]2CCOC2)C2CC2)cc1 835026207 SEFLBXDXDNVXAX-IDOMTICXSA-N 300.446 3.267 10 10 DGCE CCN(C/C=C/c1ccc(N(C)C)cc1)C[C@@H](O)C(F)(F)F 835046600 TYQBYRFNKUOOLT-LLYBFZRZSA-N 316.367 3.011 10 10 DGCE Oc1c(F)cc(Cl)cc1CN1CCC[C@@H]([C@@H]2CCCN2)C1 843044485 DGPASMZFXSLUAS-ABAIWWIYSA-N 312.816 3.149 10 10 DGCE C[C@@H](NC[C@H]1C[C@@H](N(C)C)C1)c1cccc(C(F)(F)F)c1O 848559718 YFQJHSAHRNCQMT-UTUOFQBUSA-N 316.367 3.402 10 10 DGCE C[C@@H](NC(=O)NC[C@@]1(C)CC1(F)F)c1ccc(N(C)C)cc1 852261265 OMWUCOZJVZUHJI-IAQYHMDHSA-N 311.376 3.158 10 10 DGCE C[C@]1(C(F)F)CN(Cc2c(O)ccc3ccccc23)CCO1 853634006 ZUTBMNVVFYGGNT-QGZVFWFLSA-N 307.340 3.401 10 10 DGCE COc1ccc(N2CCC(NCC[C@@H]3CC3(F)F)CC2)cc1 856802207 DHJHCZLPIAMMDB-CYBMUJFWSA-N 310.388 3.299 10 10 DGCE COc1cccc([C@@H](C)NC[C@@H]2Cc3ccccc3CO2)c1O 858454571 HGFVPLCLSKLIKC-CJNGLKHVSA-N 313.397 3.193 10 10 DGCE O=C1[C@H]2CCCC[C@H]1CC(C(=O)N1Cc3cccc(O)c3C1)C2 871198126 HAKLDGZXOMVBAM-STQMWFEESA-N 313.397 3.020 10 10 DGCE C[C@H](N[C@H](C1CC1)[C@H]1CCCOC1)c1cc([N+](=O)[O-])ccc1O 927069854 NKURMANKSVEVRQ-PLQHRBFRSA-N 320.389 3.156 10 10 DGCE CO[C@](C)(C(=O)N(C)Cc1ccc(N2CCCC2)cc1)C1CC1 1124622012 ASVGVMBPNYCTQS-IBGZPJMESA-N 316.445 3.060 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(Cl)c(O)c1 1136744495 UILYDXWWNKNPKZ-UHFFFAOYSA-N 318.804 3.350 10 10 DGCE Cc1cc2n[nH]cc2cc1NC(=O)c1ccc(N=NC(N)=O)cc1 1154214035 HPYPWUQHGPVCFF-UHFFFAOYSA-N 322.328 3.286 10 10 DGCE C[C@H](NC(=O)c1nncc2ccccc12)c1ccc(N(C)C)cc1 1459180517 ZWSDTUDOISQTKN-ZDUSSCGKSA-N 320.396 3.187 10 10 DGCE Oc1cc(Br)ccc1CN[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]12 1462521569 QHHGYQIBANYJQZ-KYLSFTOHSA-N 308.219 3.289 10 10 DGCE Cc1ccc(OCC(=O)NCc2cc(Cl)ccc2O)cc1 1557386756 YADRCHSPENHFJP-UHFFFAOYSA-N 305.761 3.049 10 10 DGCE COc1ccc2[nH]c(C(=O)N3Cc4cccc(O)c4C3)cc2c1 1587929332 XRKLETPHFLGRTH-UHFFFAOYSA-N 308.337 3.038 10 10 DGCE COC(=O)[C@@H](NCc1ccc(OC)c(C)c1)C1CCCCC1 1617049984 RVJDCKXOEVJBCC-KRWDZBQOSA-N 305.418 3.215 10 10 DGCE Cc1cccc(CC(=O)NCc2ccc3cccnc3c2O)c1 1639621814 VAXKPIFLFZJZDY-UHFFFAOYSA-N 306.365 3.108 10 10 DGCE CC(C)(CCC(=O)NCc1cc(O)ccc1O)c1ccccc1 1643881710 BVAKQULWXZZBMV-UHFFFAOYSA-N 313.397 3.472 10 10 DGCE CC1(C)C[C@@]1(C(=O)NCc1cc(O)ccc1O)c1ccccc1 1651225501 MGENRLAMLDTEAN-IBGZPJMESA-N 311.381 3.082 10 10 DGCE Oc1ccc(O)c(CNc2ncnc3cc(Cl)ccc23)c1 1651380800 KLZCBQCVTWYKIJ-UHFFFAOYSA-N 301.733 3.307 10 10 DGCE COC(=O)c1csc(CN(C)c2ccc(OC)cc2OC)c1 1657869057 JCTZZDGVMNWCEF-UHFFFAOYSA-N 321.398 3.188 10 10 DGCE C=C/C(C)=C/CC(=O)N[C@@H](C)CNCc1ccc(OC)c(C)c1 1715989638 GUIWXILMZNYIIK-KAMPRCONSA-N 316.445 3.120 10 10 DGCE CN(C)c1ccc(CNCC(=O)Nc2ccccc2Cl)cc1 1857854891 CUTOLVQHZHDGHH-UHFFFAOYSA-N 317.820 3.134 10 10 DGCE CCOCCCN1C(=O)/C(=C\c2ccccc2)SC1=S 1858589738 HJGIFTSZZCCXGX-ACCUITESSA-N 307.440 3.314 10 10 DGCE O=C(c1ccco1)N1CCN(/N=N/c2cc(F)ccc2F)CC1 1860488558 WFHBGOHCDLSOOE-VHEBQXMUSA-N 320.299 3.015 10 10 DGCE CC(C)(C)OC(=O)N[C@@H](C(=O)OC(C)(C)C)c1ccccc1O 1887599717 GLKJPNIHEVOEOG-CYBMUJFWSA-N 323.389 3.300 10 10 DGCE COc1c(Cl)cc(C(=O)N2CC(N=[N+]=[N-])C2)cc1Cl 1912182690 FNTAGUYUYSQTEZ-UHFFFAOYSA-N 301.133 3.137 10 10 DGCE CC(C)[C@@H]1C[C@](N)(c2ccccc2O)CN1Cc1ccccc1 1920152324 HJOAWBIAQJSUJQ-AZUAARDMSA-N 310.441 3.477 10 10 DGCE COc1cc(Cl)cc(CN[C@@H]2CC[C@@H]3[C@H]2C3(F)F)c1O 1967819144 HHVRCDTYIDQPNC-CKYFFXLPSA-N 303.736 3.188 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](NCc2c(O)cccc2F)C1 1976861385 VRNWXKHFAXJKKA-NWDGAFQWSA-N 324.396 3.067 10 10 DGCE CC(C)(C)OC(=O)N1[C@H](CNc2ccc(N)cc2)COC1(C)C 1977658780 FRBYMNDUZDIRER-CQSZACIVSA-N 321.421 3.053 10 10 DGCE Cc1ccc(CN[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c(O)c1 1994459463 IXQQKOQORQLIKL-HNNXBMFYSA-N 320.433 3.190 10 10 DGCE CC[C@H](c1cc(Br)ccc1O)N(CC)C[C@@H](C)N 2041174840 AEVVUYZJNIZLIN-ZWNOBZJWSA-N 315.255 3.275 10 10 DGCE COC[C@]1(C)CCN1c1ccc([C@H](C)O)c(Br)c1 2055909080 FLMLVISVUYBTEF-HZMBPMFUSA-N 314.223 3.118 10 10 DGCE NCc1cc(F)c(N2CC[C@H]3CC[C@H]3C2)cc1Br 2068256548 OZAACDSXSKVJQI-ZJUUUORDSA-N 313.214 3.283 10 10 DGCE COC(=O)c1cc(C(C)C)nn1[C@H](C)c1ccc(F)cc1O 2069952692 FAHMUPICXKLIAX-SNVBAGLBSA-N 306.337 3.247 10 10 DGCE CCc1c(C(F)(F)F)nn(Cc2ccc(Cl)cc2O)c1N 2079826670 WYYZYOSUFPZCEU-UHFFFAOYSA-N 319.714 3.454 10 10 DGCE Oc1ccc(Cc2nc3ccc(Br)cc3[nH]2)cc1O 2087726207 FFWVGKOOHGSTSS-UHFFFAOYSA-N 319.158 3.327 10 10 DGCE NCc1cc(F)c(N2CC[C@](F)(C(F)(F)F)C2)cc1Cl 2177387127 DQLQBMIMDVLNJB-LLVKDONJSA-N 314.685 3.419 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]21 2188732289 TZOVNHAIEUYQIC-DKTYCGPESA-N 314.212 3.355 10 10 DGCE CCc1nsc(CN(C)c2ccc(CNC)cc2Cl)n1 2288836637 JCNSYRGBVLITDV-UHFFFAOYSA-N 310.854 3.110 10 10 DGCE O=C(O)c1ccc(N=Nc2c(C(=O)O)nc3ccccn23)cc1 2320768211 YTVCPJDYYQMHSD-UHFFFAOYSA-N 310.269 3.146 10 10 DGCE Cc1ccc(CN2C[C@H](C)O[C@@H](C)C2)c(O)c1Br 2327567851 MZTBIWIHKPGHSP-QWRGUYRKSA-N 314.223 3.072 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)n2)C1 2335598212 GKBWBGFQVJZKGW-QMMMGPOBSA-N 300.149 3.303 10 10 DGCE Cc1ccc(CN2C(=O)C[C@H]3CC[C@@H]2C3)c(O)c1Br 2352950405 SCYARMIETKCJRR-CMPLNLGQSA-N 324.218 3.364 10 10 DGCE Cc1ccc2[nH]cc(CCC(=O)NCc3ccc(O)c(O)c3)c2c1 182531495 VXHWUQRPFHHWAP-UHFFFAOYSA-N 324.380 3.137 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCC(C)(C)O1 188183524 USDIFZRRVGHQQQ-OAHLLOKOSA-N 320.433 3.271 10 10 DGCE CCCN[C@](CSc1nccs1)(C(=O)O)c1ccccc1 45596232 PSNVKJMMEPTQPH-HNNXBMFYSA-N 322.455 3.215 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)Nc1cnn(CC)c1 43646167 PNQLCCNLUDJINJ-UHFFFAOYSA-N 315.421 3.023 10 10 DGCE COc1ccc(CNCCc2ccccc2OC(F)F)c(O)c1 190885192 PBDMBMBIFUTFGT-UHFFFAOYSA-N 323.339 3.335 10 10 DGCE CC(C)(C)[C@@H](CCO)NCc1cccc(Br)c1O 231074929 DNTZYQXNALZYPU-GFCCVEGCSA-N 316.239 3.041 10 10 DGCE C[C@@]1(CN[C@H]2CCc3cccc(O)c32)COc2ccccc2O1 527927447 GNLOSHRLZKWQND-IFXJQAMLSA-N 311.381 3.199 10 10 DGCE Cc1cc(C)c([C@@H](C)NCCCNCc2cccnc2)c(O)c1 817941335 SWHQYKGBWYZYOH-MRXNPFEDSA-N 313.445 3.235 10 10 DGCE COc1ccc(NC(=S)NCc2cccc(C)n2)cc1F 726468835 IGTSDDTUUFOLSK-UHFFFAOYSA-N 305.378 3.024 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 827630131 FHNRHDCCYXMVMM-HRCADAONSA-N 301.434 3.083 10 10 DGCE Cc1cc(Cl)cc2c1N(C(=O)/C=C\c1cnccn1)CCC2 735449906 NTFAWIRZWCVJGC-PLNGDYQASA-N 313.788 3.431 10 10 DGCE O=C(O)C[C@@H]1CCCC[C@@H]1NCc1ccc2c(c1)CCCO2 900040590 GCAMZTVXTOZSJY-HOCLYGCPSA-N 303.402 3.135 10 10 DGCE CCC[C@H](NC(=O)NCc1cc(OC)ccc1O)C(C)(C)C 838474997 VUUUKXQWZIMQHX-HNNXBMFYSA-N 308.422 3.415 10 10 DGCE CC(C)N1CC[C@@H](CNC/C=C/c2ccc(N(C)C)cc2)C1 835052293 BZSDSOCFRKMSGC-QWNKOJSDSA-N 301.478 3.086 10 10 DGCE COc1ccc(O)c([C@@H](C)NCc2cnc(Cl)c(F)c2)c1 846844781 OVGCFEFUOOGNGF-SECBINFHSA-N 310.756 3.439 10 10 DGCE COc1cc(O)c(CN2CCC[C@@]3(C2)CC3(F)F)cc1OC 844751535 URRYGCUVIUXBLL-HNNXBMFYSA-N 313.344 3.031 10 10 DGCE COc1ccc(N2CC[C@@H](Nc3nc(C)nc(C)c3C)C2)cc1 853759570 WQHPPMBKXUEJQU-OAHLLOKOSA-N 312.417 3.101 10 10 DGCE CCC(CC)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 852068991 SWSHZUYXFMVWMU-HNNXBMFYSA-N 319.449 3.009 10 10 DGCE C[C@H](N[C@@H]1C[C@@H](C)n2ncnc21)c1ccc2ccccc2c1O 850498773 DAIZTWWHEIAHKX-BFQNTYOBSA-N 308.385 3.494 10 10 DGCE Cc1ccc(O)c([C@H](C)N[C@@H]2CCC[C@H]2Cc2cnn(C)c2)c1 850541153 SMIQWOOIPHODIF-QILLFSRXSA-N 313.445 3.496 10 10 DGCE CN(Cc1ccccc1O)C(=O)N[C@H]1CCSC2(CCC2)C1 927259296 QAKLMXRIZYDBCU-AWEZNQCLSA-N 320.458 3.352 10 10 DGCE Oc1ccc(Cl)c(F)c1CNC[C@]12OCCC[C@H]1C2(F)F 850379941 JQJDJWJQMNYZDK-YPMHNXCESA-N 321.726 3.089 10 10 DGCE Cc1c(Cl)ccc2c1CN(C(=O)Cc1ccc(N)cc1)CC2 868052237 NWEYPESBKPPHOG-UHFFFAOYSA-N 314.816 3.358 10 10 DGCE CCc1cnc(N2CCN(Cc3cc(C)ccc3O)CC2)s1 769403372 GRDYGWMZXWPJPG-UHFFFAOYSA-N 317.458 3.042 10 10 DGCE COCc1sccc1C(=O)N[C@@H](C)c1cc(OC)ccc1O 866765674 YOAWYOOWNCNQIA-JTQLQIEISA-N 321.398 3.100 10 10 DGCE C[C@H](NC(=O)N[C@@H](C1CC1)[C@H]1CCCCO1)c1ccccc1O 868750275 ITHYMCUNPZZAPO-VUCTXSBTSA-N 318.417 3.100 10 10 DGCE CC[C@H](C[C@@H](C)O)N[C@H](C)c1cc(Br)ccc1O 866635892 UVBJAUKOUPYNKT-CKYFFXLPSA-N 316.239 3.355 10 10 DGCE CC(C)c1ncc(Cl)c(C(=O)N2Cc3cccc(O)c3C2)n1 871201291 SWNBXZMYWHKOSF-UHFFFAOYSA-N 317.776 3.115 10 10 DGCE Cc1cc(C)n([C@H](C)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1 773009114 PDBHXQWPIPKNBW-LSDHHAIUSA-N 314.433 3.004 10 10 DGCE COc1ccc2c(c1)N(C(=O)/C=C\c1cncc(F)c1)CCC2 1131431732 GAQJLQBAEFKHLS-DAXSKMNVSA-N 312.344 3.222 10 10 DGCE CCCN(CCC)c1ccc(CN2CC(=O)N(C3CC3)C2)cc1 790942514 GIVCBMFXUYZZIZ-UHFFFAOYSA-N 315.461 3.077 10 10 DGCE C[C@@H](NC1CC(N2CCCCC2)C1)c1cc(F)cc(F)c1O 794833471 DZOSDGKQYPQXKG-LMWSTFAQSA-N 310.388 3.338 10 10 DGCE CCOC(=O)CCCNCc1cc(Cl)cc(Cl)c1O 81544802 FVYCIHSEWHWCDO-UHFFFAOYSA-N 306.189 3.132 10 10 DGCE CCCCCNCc1ccc(N2CCC(C(=O)O)CC2)cc1 84828006 QAAMDSQOOCFQEI-UHFFFAOYSA-N 304.434 3.267 10 10 DGCE CN[C@H](C)c1ccc(N2CC[C@H](F)C2)cc1Br 689849436 LRNKUCQMJVSZFK-ZJUUUORDSA-N 301.203 3.278 10 10 DGCE CC[C@@H]1C[C@@H](N(C)Cc2ccc(Br)cc2O)CO1 691684966 XFZRHBVXQCRKPX-CHWSQXEVSA-N 314.223 3.154 10 10 DGCE CC[C@H](C)C(=O)N[C@H]1C[C@H](CNCc2ccc(OC)c(C)c2)C1 1330563285 CWPLRKREZMEROE-JQFCIGGWSA-N 318.461 3.034 10 10 DGCE C[C@@H](NC(=O)/C=C\c1ccc(C=O)cc1)c1ccc(N(C)C)cc1 1296649893 VRKCLXRPFVDCFU-JEMSNHSXSA-N 322.408 3.456 10 10 DGCE Cc1ncc(/C=C/C(=O)N2CCOc3cc(F)c(F)cc32)s1 1537928893 RSSRECMBRWZRES-NSCUHMNNSA-N 322.336 3.169 10 10 DGCE Cc1ccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)c(O)c1O 1628946350 YNUJKMREDADIRE-HZSPNIEDSA-N 303.402 3.495 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CC[C@@H]3[C@@H](C2)C3(F)F)c1O 1559665904 UGBDQWBEJWXWFC-CHWSQXEVSA-N 315.747 3.335 10 10 DGCE CCC(CC)C(=O)N[C@H](C)[C@H](C)NCc1ccc(OC)c(C)c1 1733965595 VZRXMOVREHOUDG-LSDHHAIUSA-N 320.477 3.423 10 10 DGCE Cc1cccc(-n2c(C)cc(CNC(=O)c3c[nH]nc3C)c2C)c1 1643366695 RXJAFJILJXLQTF-UHFFFAOYSA-N 322.412 3.364 10 10 DGCE CC(C)Oc1ccc(N(C)CCc2ccc(C(N)=O)cc2)cc1 1642710450 MQKJPICXZXWAIW-UHFFFAOYSA-N 312.413 3.252 10 10 DGCE Cc1nccn1[C@H](C)CNCc1cccc(Br)c1O 2129520888 CEQDUNIMCAUWNS-SNVBAGLBSA-N 324.222 3.010 10 10 DGCE Cc1ccc(C)n1[C@H](CC(=O)N1CC(F)C1)c1ccc(F)cc1 1851372537 HCMLCCQXPJSNFL-QGZVFWFLSA-N 318.367 3.404 10 10 DGCE Cc1ccc(O)c(CNCCC(=O)Nc2cccc(C)c2C)c1 1857853095 HNOVAMDQGBFYHZ-UHFFFAOYSA-N 312.413 3.436 10 10 DGCE CCCCN(CC)C(=O)CCNCc1cc(Cl)ccc1O 1857864905 MNLAQIFNNVPQQV-UHFFFAOYSA-N 312.841 3.174 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]([C@H](N)c2ccccc2O)C1 1928474274 LAOIKNYCCDVNFC-JMSVASOKSA-N 306.406 3.085 10 10 DGCE CN(Cc1ccc(N)cc1)Cc1cnc(Br)s1 1944013987 MIOUMIVQYDUCQW-UHFFFAOYSA-N 312.236 3.120 10 10 DGCE C[C@H](N)c1ccc(N2C[C@H](C)[C@H](F)C2)c(Br)c1 1947332419 HZTNPZXGUGCKPY-HOTUBEGUSA-N 301.203 3.263 10 10 DGCE C[C@H](CN1CCC[C@H]1CN=[N+]=[N-])C(=O)OCc1ccccc1 1975318237 HGQRFCKGUHBQSQ-HIFRSBDPSA-N 302.378 3.141 10 10 DGCE NCCCN(Cc1ccccc1)c1ccc2c(c1)OC(F)(F)O2 1977738311 URCKHPNUAVCZME-UHFFFAOYSA-N 320.339 3.364 10 10 DGCE CN(C)c1ccc([C@H](O)C2CC(NC(=O)OC(C)(C)C)C2)cc1 1977958540 NCKYQYIULDUPRI-XUJLQICISA-N 320.433 3.089 10 10 DGCE [N-]=[N+]=NCCCNC(=O)c1cc(C(F)(F)F)cnc1Cl 2157321634 ZIOZZZKNGVHZMF-UHFFFAOYSA-N 307.663 3.184 10 10 DGCE CC[C@@H](NCC1CCC2(CC1)OCCO2)c1ccccc1O 190324008 XNOIBIWFMOVLNT-MRXNPFEDSA-N 305.418 3.366 10 10 DGCE COc1cccc(O)c1[C@H](C)n1cc(C(=O)OC(C)(C)C)cn1 2069976457 IJDCAZFOOSWPGM-NSHDSACASA-N 318.373 3.162 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 2099332562 JLOJKQXWRHHTAZ-QMMMGPOBSA-N 320.827 3.255 10 10 DGCE CC[C@@H](O)CN(CC)c1ccc([C@H](C)N)c(Br)c1 2044553780 JTEKJANSXQIUNE-CMPLNLGQSA-N 315.255 3.066 10 10 DGCE CN(Cc1cc(Br)ccc1O)C1(C)CCOCC1 2054619663 PECNYAAXCQLVFM-UHFFFAOYSA-N 314.223 3.156 10 10 DGCE CCC[C@@H]1C[C@@H](NCc2cccc(Br)c2O)CO1 2065790786 KDXPHXCNYAISSO-VXGBXAGGSA-N 314.223 3.202 10 10 DGCE CC[C@H](COC(F)F)NCc1c(O)cccc1Br 2067261542 ZEQDEWNAELRKPE-MRVPVSSYSA-N 324.165 3.262 10 10 DGCE C[C@@H]1[C@H](Nc2c(N)cccc2Br)CCN(C)[C@@H]1C 2073372100 LUWQNXRIBOORDG-OPQQBVKSSA-N 312.255 3.172 10 10 DGCE Cc1cc(CO)ccc1N1C[C@](C)(F)[C@@](C)(Br)C1 2084854877 FGEVGHFULNBVEY-KBPBESRZSA-N 316.214 3.189 10 10 DGCE COc1cc(Cl)cc(CNC[C@@H]2SCC[C@H]2C)c1O 2094447179 BJPJTMKUKDMBLC-RNCFNFMXSA-N 301.839 3.285 10 10 DGCE C[C@H](O)c1ccc(N(C)C[C@@]2(C)CSCCO2)c(Cl)c1 2201226524 IFALDTLAZWTVPO-NHYWBVRUSA-N 315.866 3.352 10 10 DGCE Cc1cc(Br)cc([C@H](O)[C@@H](N)c2ccccc2O)c1 2228998156 XNHJMDSUVIBRFY-GJZGRUSLSA-N 322.202 3.197 10 10 DGCE Nc1cccc(Br)c1N[C@H]1CCCN(C2CC2)C1 2260325536 WZLLESBCYDTWNW-JTQLQIEISA-N 310.239 3.070 10 10 DGCE C[C@H](N)c1ccc(N(C)CC[C@H]2CCO2)cc1Br 2263969576 RTNKXZWJRCEYOA-JQWIXIFHSA-N 313.239 3.084 10 10 DGCE COc1ccc(C)c2c1N(C(=O)C=Cc1cccnc1)CCC2 2297458962 MMZWGGWLWFVJIV-UHFFFAOYSA-N 308.381 3.391 10 10 DGCE CC(C)NCc1ccc(N2CCSC2)cc1Br 2303470092 UVJMRDUPFWLEJE-UHFFFAOYSA-N 315.280 3.458 10 10 DGCE Cc1ccc(CNCc2ccsn2)c(O)c1Br 2307566033 SFWCXQDZCXVACM-UHFFFAOYSA-N 313.220 3.209 10 10 DGCE COC(C)(C)C1(NCc2ccc(Br)cc2O)CC1 2320669171 VCODCEGCHPXEJK-UHFFFAOYSA-N 314.223 3.202 10 10 DGCE CN1CCN(c2ccc(N=NN3CCCCCC3)cc2)CC1 2330217037 PIQRCQXXZRQYFF-UHFFFAOYSA-N 301.438 3.313 10 10 DGCE CCCCN1C(=O)/C(=C\C=C2\SCCN2C)SC1=S 33922291 LKHOSQNUTJPPBI-YOYBCKCWSA-N 314.501 3.051 10 10 DGCE CCO[C@@H]1CCCN(c2ccc(CN)c(C(F)(F)F)c2)C1 42408127 DLFNBYLQARGGAS-CYBMUJFWSA-N 302.340 3.169 10 10 DGCE COC(C)(C)CNC(=O)c1cc(C)n(-c2ccccc2)c1C 80695441 PZWCHOGFYGTJAT-UHFFFAOYSA-N 300.402 3.249 10 10 DGCE COc1cccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1F 90093504 VDPHWNIBNQQMAN-UHFFFAOYSA-N 316.376 3.173 10 10 DGCE c1ccc(-n2ccc(CNCc3ccc4c(c3)CCO4)n2)cc1 126862146 LJERYPARNLRRDJ-UHFFFAOYSA-N 305.381 3.097 10 10 DGCE C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@H](C)N1C 141902989 PNQIGIDECXNPLX-UWVGGRQHSA-N 303.233 3.223 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)C(=O)n1ccc2c(N)cccc21 170025217 VKQIYUHFEAQDAE-NSHDSACASA-N 310.353 3.154 10 10 DGCE C[C@@H](CC1CC1)NC(=O)NCc1c(O)ccc2c1CCCC2 176693248 IGGPQQOIILZLFQ-LBPRGKRZSA-N 302.418 3.259 10 10 DGCE C[C@H](NCc1ccnn1C)c1cc(Cl)c(Cl)cc1O 192657501 MWBAENWTGMXZGD-QMMMGPOBSA-N 300.189 3.283 10 10 DGCE CC[C@@H](CNC(=O)OC(C)(C)C)N[C@@H](C)c1ccccc1O 227724283 FHKOWOWTXCDSFK-STQMWFEESA-N 308.422 3.346 10 10 DGCE COc1cccc(CCN[C@H](C)c2cc([N+](=O)[O-])ccc2O)c1 273432736 WGMBAZZTSJGLHM-GFCCVEGCSA-N 316.357 3.202 10 10 DGCE CCN[C@@H](C)c1ccc(N(CCO)Cc2ccccc2)cc1O 303251514 ODYRRGZCRNFEST-HNNXBMFYSA-N 314.429 3.062 10 10 DGCE O=[N+]([O-])c1cccc2sc(I)c(O)c12 306573861 IKRTXQATCNXNQR-UHFFFAOYSA-N 321.095 3.120 10 10 DGCE CCN(CC)c1ccc(CN[C@H]2CCc3nc[nH]c3C2)cc1F 368220052 DQWROZIZDQLCEJ-AWEZNQCLSA-N 316.424 3.042 10 10 DGCE C[C@H]1[C@H](C)CCN1c1cc(Br)c(CN)cc1F 380560481 TZHPELGZDXNTOP-BDAKNGLRSA-N 301.203 3.282 10 10 DGCE CS[C@@H]1CC[C@@H]1NCc1ccc(Br)cc1O 702014335 FENQGUGQBXYQPW-CMPLNLGQSA-N 302.237 3.138 10 10 DGCE C[C@H](N)c1ccc(N2C[C@H]3C[C@H]2CS3)cc1C(F)(F)F 705536976 FYBVTIJUZZRIIO-INTQDDNPSA-N 302.365 3.419 10 10 DGCE CCSC[C@H](C)N(C)c1ccc(CN)cc1Br 706381574 PKKJZHQJTXBUKO-JTQLQIEISA-N 317.296 3.486 10 10 DGCE CCC[C@@H]1COC[C@H]1NCc1cc(Br)ccc1O 710999085 MGOULCXZKQLZSI-ZWNOBZJWSA-N 314.223 3.059 10 10 DGCE CCc1nc(C(=O)NCc2ccc(N3CCCC3)cc2)c(C)o1 795202802 BOGMYBXTMCLZDX-UHFFFAOYSA-N 313.401 3.076 10 10 DGCE COc1ccc(N(CC[S@](C)=O)Cc2ccccc2)cc1 798198255 XNLQAQKQYVQUIU-NRFANRHFSA-N 303.427 3.080 10 10 DGCE CCN(CC)c1ccc(CNC(=O)NC2C[C@@H]3C[C@H]3C2)cc1 822718099 ZOBVSEAMOPUGOJ-GJZGRUSLSA-N 301.434 3.131 10 10 DGCE Cc1cnccc1/C=C/C(=O)NCc1ccc(N(C)C)cc1C 825980438 CTOLWIOGIAGFEM-SOFGYWHQSA-N 309.413 3.094 10 10 DGCE Nc1ccc(CCNC(=O)N2CCCC[C@H]2C2CCC2)cc1 831178104 IGFYDCUDSPUPSA-KRWDZBQOSA-N 301.434 3.176 10 10 DGCE CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@]2(F)c2ccccc2)cc1 839469552 LEHUDWXZPWXQJF-PKOBYXMFSA-N 312.388 3.254 10 10 DGCE Oc1c(F)cc(Cl)cc1CN1CCC[C@H]([C@@H]2CCCN2)C1 843044487 DGPASMZFXSLUAS-NHYWBVRUSA-N 312.816 3.149 10 10 DGCE CC[C@@H](NC[C@@H](C)N1C[C@H](C)O[C@H](C)C1)c1ccc(F)cc1O 848559410 WIOKSPKHWCNLHF-VWPFQQQWSA-N 324.440 3.070 10 10 DGCE COc1cnc(NCc2cc(OC)cc(C(C)(C)C)c2O)nc1 849346231 PLARIMFLRGBRGA-UHFFFAOYSA-N 317.389 3.109 10 10 DGCE C[C@H]1CCC[C@@H](CNCc2cc(Cl)cc([N+](=O)[O-])c2O)O1 850379801 YFRFNKYCFXIVRL-CABZTGNLSA-N 314.769 3.001 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CCC[C@H]3C[C@H]32)c1 852562407 AUNMVXXLTPWPKZ-WFGGJUAMSA-N 318.417 3.197 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)[C@H](C)CC(C)(C)C)C2)cc1 855225971 MMCMGSPPHYXBAE-CABCVRRESA-N 318.461 3.462 10 10 DGCE COC[C@@H]1CCCN(Cc2cc(F)c(N(C)C)cc2F)CC1 862390316 CEDDJAFYTGVCMK-CYBMUJFWSA-N 312.404 3.279 10 10 DGCE COc1cc(C)cc(CN[C@H]2[C@@H]3c4ccc(F)cc4C[C@H]32)c1O 895344911 SLCDMMDXUYHRDH-KBAYOESNSA-N 313.372 3.276 10 10 DGCE C[C@@]1(C(=O)NCc2ccc(O)cc2O)CCCc2ccccc21 910954743 MJKMUHNKKBKSFF-LJQANCHMSA-N 311.381 3.008 10 10 DGCE COc1ccc(N(CCCCCNC(C)=O)C(C)C)cc1F 929951620 SNQCEWKXEHHXSE-UHFFFAOYSA-N 310.413 3.356 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)Nc1cc(Cl)nc(N)n1 1472808551 VLUIQNUHYRZFHF-LLVKDONJSA-N 319.840 3.130 10 10 DGCE CCc1ncnc(N(C)Cc2ccc(N3CCCC3)cc2)c1F 1611764807 YCCXADYPVDWVBH-UHFFFAOYSA-N 314.408 3.415 10 10 DGCE Cc1ccc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c(O)c1O 1628946351 YNUJKMREDADIRE-MELADBBJSA-N 303.402 3.495 10 10 DGCE CC(C)COc1ccccc1C(=O)NCc1cc(O)ccc1O 1633595092 HYXMWBCFJILERA-UHFFFAOYSA-N 315.369 3.063 10 10 DGCE COc1ccc(-c2nc(=N[C@@H](C)c3ccccc3O)cc[nH]2)cc1 1640282607 ZBZAWRKPYGKCJT-ZDUSSCGKSA-N 321.380 3.453 10 10 DGCE C[C@@H](CSc1ccccc1)C(=O)NCc1cc(O)ccc1O 1643881820 GRUPHZPMFJJQOY-LBPRGKRZSA-N 317.410 3.142 10 10 DGCE CCn1cc(CCN2CCCc3cc(OC(F)F)ccc32)cn1 1644806292 NIFBFMABEBFXJO-UHFFFAOYSA-N 321.371 3.500 10 10 DGCE O=C(/C=C/c1ccc2ccccc2n1)NCc1c(O)cccc1F 1646029238 SNEMGBPANIKXBM-ZHACJKMWSA-N 322.339 3.409 10 10 DGCE C/C=C(\C)C(=O)NC[C@@H](NCc1ccc(OC)c(C)c1)C(C)C 1715540075 TXTCYDGLUOVDGD-OEXZBZRSSA-N 318.461 3.200 10 10 DGCE CC[C@H](C)[C@H](N)C(=O)Nc1ccc(Oc2ccc(N)cc2)cc1 1865950358 SNJQQSAGGPVPLZ-SJCJKPOMSA-N 313.401 3.373 10 10 DGCE Oc1cc(Br)ccc1CNC[C@H]1C[C@@]12CC2(F)F 1876068561 HQGAZVITDJPTQH-BXKDBHETSA-N 318.161 3.290 10 10 DGCE CO[C@@H]1CCN(c2ccc([C@H](C)N)cc2Br)[C@@H]1C 1914271595 IUISRWSGKSDPHM-IMSIIYSGSA-N 313.239 3.082 10 10 DGCE CC[C@]1(F)CCN(c2ccc(CNC)c(Br)c2)C1 1925561917 SIXAKLSQYCYBOA-AWEZNQCLSA-N 315.230 3.497 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H](C[C@H](N)c2ccccc2O)C1 1936971483 WSGQIJOMJIAUTE-HIFRSBDPSA-N 320.433 3.429 10 10 DGCE C[C@@H](NC(=O)OC(C)(C)C)C1(COc2ccc(N)cc2)CC1 1952843565 URNUZINEYPCEIF-GFCCVEGCSA-N 306.406 3.341 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H](F)[C@@H]1c1c(N)cccc1O 1953070098 CAJWFSCRCYNZCG-QMTHXVAHSA-N 310.369 3.385 10 10 DGCE CN(CCN=[N+]=[N-])[C@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1962286489 ANSMBLHOPJRTQW-CLLJXQQHSA-N 309.414 3.159 10 10 DGCE CN(CCCCN=[N+]=[N-])C1CCN(C(=O)OC(C)(C)C)CC1 1962300670 REGGJXFIXUELBN-UHFFFAOYSA-N 311.430 3.408 10 10 DGCE CN(CCN=[N+]=[N-])[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 1962302901 DCMGDUDLBXCFOY-AVGNSLFASA-N 309.414 3.017 10 10 DGCE CCNC1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 1963285298 BHAVBTORPSFJJB-UHFFFAOYSA-N 303.233 3.273 10 10 DGCE C[C@@H](NC(=O)OC(C)(C)C)[C@H](N)c1ccc(N2CCCC2)cc1 1977942699 YBOBEFFAJVHRFB-CJNGLKHVSA-N 319.449 3.200 10 10 DGCE CN(C)c1ccc([C@]2(O)CCC[C@@H]2NC(=O)OC(C)(C)C)cc1 1977959501 SBNHVMABBFLFQJ-MAUKXSAKSA-N 320.433 3.017 10 10 DGCE CN(C)c1ccc([C@@H](O)[C@H]2CCN(Cc3ccccc3)C2)cc1 1988153556 WIGSOVYXGARUPV-AZUAARDMSA-N 310.441 3.308 10 10 DGCE C[C@@H]1CC(F)(F)CN1Cc1cccc(Br)c1O 2004639743 XWBUCANJAGRJEB-MRVPVSSYSA-N 306.150 3.384 10 10 DGCE Nc1ccc(CC(=O)N2CCC[C@@H](OCc3ccccc3)C2)cc1 2013481367 RXSWLROFWCAYKA-LJQANCHMSA-N 324.424 3.019 10 10 DGCE O=C1N=C(N2CCCCC2)SC1=Cc1csc(C2CC2)n1 2042454905 KGQWQCALONOLKQ-UHFFFAOYSA-N 319.455 3.477 10 10 DGCE Cc1ccc(Br)c(CN2CC[C@H](CN=[N+]=[N-])C2)n1 2049901022 FWPVJHAPJLZWFI-SNVBAGLBSA-N 310.199 3.285 10 10 DGCE CC[C@]1(C)C[C@@H](NCc2cccc(Br)c2O)CO1 2069117214 JLCLOCRMOPOPGC-BXUZGUMPSA-N 314.223 3.202 10 10 DGCE CCNC(=O)c1cc(C2CC2)nn1[C@@H](C)c1cccc(C)c1O 2070170607 ONYFLUFJRVVPJH-LBPRGKRZSA-N 313.401 3.134 10 10 DGCE CC[C@H](c1cc(C)c(C)cc1O)n1nc(C(C)C)c(CO)c1N 2079972798 ZZLHSFPJZVKIJM-OAHLLOKOSA-N 317.433 3.403 10 10 DGCE CC(C)[C@](CO)(CCCSc1nccs1)NC1CC1 2087802230 BJRYBSKBOXBLSJ-CQSZACIVSA-N 300.493 3.155 10 10 DGCE Oc1cc(Br)ccc1CNCCCc1cccnc1 2094455179 IHVWJTGTDHKPEM-UHFFFAOYSA-N 321.218 3.272 10 10 DGCE Nc1ccc(NC(=O)NCc2snc(Cl)c2Cl)cc1 2110912005 MMEGFFSMNNVYRC-UHFFFAOYSA-N 317.201 3.354 10 10 DGCE Cc1cc(NCc2ccc(O)c(O)c2)c(Br)nc1C 2125227379 LKICBKMLQKFMFF-UHFFFAOYSA-N 323.190 3.484 10 10 DGCE Cc1nccn1[C@@H](C)CNCc1cc(Br)ccc1O 2129526039 YGODLRSZKHGBGP-JTQLQIEISA-N 324.222 3.010 10 10 DGCE CN(Cc1cc(Cl)cs1)c1ccc(CO)c([N+](=O)[O-])c1 2188574885 DIKKYTASJAIFLN-UHFFFAOYSA-N 312.778 3.438 10 10 DGCE CSc1ncc(CNCCCNCc2ccccc2)s1 2241621533 UCAYUFHFFFAYDQ-UHFFFAOYSA-N 307.488 3.135 10 10 DGCE Nc1ccc(CNCc2ccc(Br)cc2F)cc1 2257499329 OXGLVVZYXYJCML-UHFFFAOYSA-N 309.182 3.460 10 10 DGCE CC[C@H](NCc1ccc(C)c(Br)c1O)C(C)(C)O 2327623288 FWYUKAAEGPTJFA-NSHDSACASA-N 316.239 3.102 10 10 DGCE COc1cc(N=NN2C[C@H](C)O[C@@H](C)C2)c(OC)cc1Cl 2330192271 BUNGKWQGNDNHMX-UWVGGRQHSA-N 313.785 3.465 10 10 DGCE CN1CCC(N(C)N=Nc2ccc(N3CCCC3)cc2)CC1 2330221313 UWBBSYYBIQSENM-UHFFFAOYSA-N 301.438 3.312 10 10 DGCE CN(C)c1ccc(/N=N/c2ccccc2S(=O)(=O)O)cc1 5140545 NYEYRSGIVKKHMU-FOCLMDBBSA-N 305.359 3.415 10 10 DGCE CC[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)[C@@H]1CCCO1 90857024 ATHBDEMBIHHPSF-SNRMKQJTSA-N 318.461 3.131 10 10 DGCE CCNCc1ccc(N(C)CC2(N(C)C)CCC2)c(Cl)c1 97929624 INNPGHNWGQUFFE-UHFFFAOYSA-N 309.885 3.370 10 10 DGCE COC(=O)/C=C/c1ccc(N2CCC3(CCC3)C2)c([N+](=O)[O-])c1 131433604 GBTCXCQEDJDVKA-GQCTYLIASA-N 316.357 3.161 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)CCCC[C@H](C)C(C)=O)c1 153928405 DCMOPSPVXDZUGI-STQMWFEESA-N 321.417 3.364 10 10 DGCE COc1ccc(O)c(CNC(=O)C/C=C/c2ccc(F)cc2)c1 177163238 JBTLSGFKYSUUEZ-NSCUHMNNSA-N 315.344 3.260 10 10 DGCE CCc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1ccc(C)cc1O 185683119 JJXUDPUNCLIKDT-OCCSQVGLSA-N 300.406 3.040 10 10 DGCE O=C1CCN(c2ccc(OC(F)(F)F)c(Br)c2)C1 229583639 PRMZFZXLTFDVRY-UHFFFAOYSA-N 324.096 3.127 10 10 DGCE COc1cc(O)c(CNc2cccc(C3CC3)n2)cc1OC 293918403 MKJBCYYHBFISDO-UHFFFAOYSA-N 300.358 3.294 10 10 DGCE CCCNCc1ccc(N(CCO)Cc2ccccc2)c(F)c1 302932050 JAERXKWAMCUDOO-UHFFFAOYSA-N 316.420 3.324 10 10 DGCE CC(C)(C)OCCNCc1cccc(Br)c1O 308717089 BSTKQYYKVCJXPO-UHFFFAOYSA-N 302.212 3.059 10 10 DGCE CN(Cc1cccnc1)c1cc(Br)c(CN)cc1F 311392338 DKAVEXFALOUCOJ-UHFFFAOYSA-N 324.197 3.078 10 10 DGCE Nc1ccc(N2CCN(Cc3sccc3Cl)CC2)cc1 312391687 ORAGFMFPUUCCIJ-UHFFFAOYSA-N 307.850 3.306 10 10 DGCE C[C@@H]1CCCN(c2cc(Br)c(CN)cc2F)C1 380059152 XQNRRLILVIUVPJ-SECBINFHSA-N 301.203 3.283 10 10 DGCE COc1ncccc1NCc1c(O)cccc1Br 706874951 BVYWZZNARLAWBN-UHFFFAOYSA-N 309.163 3.170 10 10 DGCE Cc1ccc([C@@H](C)NCC2CN(Cc3ccccc3)C2)c(O)c1 716276362 CTNQLHRJEXMVJN-MRXNPFEDSA-N 310.441 3.483 10 10 DGCE CC(C)[C@H](C)CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O 761361388 MLNYTPBTHPTBFZ-LLVKDONJSA-N 324.808 3.102 10 10 DGCE CC[C@H](NCC[C@H](C)[S@](C)=O)c1cc(Cl)ccc1O 775522757 ZPKNZYJVECBROV-JXBWDGJFSA-N 303.855 3.243 10 10 DGCE COC(C)(C)CCOC(=O)c1cc(C)n(-c2ccccn2)c1C 787632097 IWRZQWHQBRSPNT-UHFFFAOYSA-N 316.401 3.461 10 10 DGCE C[C@H](NCC[C@H]1CCOC1)c1cccc(C(F)(F)F)c1O 815615703 VLLAQYQHTGLUNV-QWRGUYRKSA-N 303.324 3.488 10 10 DGCE CC[C@@H](NC[C@H]1CC[C@H](C(N)=O)CC1)c1ccc(C)cc1O 817585698 GXPWBRLZVUZXEL-IIAWOOMASA-N 304.434 3.033 10 10 DGCE C[C@@H](NC(=O)N(C)Cc1ccccc1O)C1CCC(F)CC1 823068193 QLNSEHPXSHMFDV-DNOWBOINSA-N 308.397 3.450 10 10 DGCE Cc1ccncc1CN(C)Cc1ccc(Br)cc1O 825748720 HNLHQHCSEDJMDB-UHFFFAOYSA-N 321.218 3.490 10 10 DGCE CC[C@H](N[C@H](C)c1cc(Cl)cc(C)c1O)[C@H](O)C(F)F 834875864 UWSUOBDCVLTWSP-WLTAIBSBSA-N 307.768 3.409 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@@H]2c3ccccc3C[C@@H]2O)cc1 835038909 ZKEATWMGWUGNCX-MNVMYWNISA-N 308.425 3.014 10 10 DGCE CC(C)(C)C1CN(C(=O)NCCCSc2nccs2)C1 838512854 AJDUDTAULKDIIC-UHFFFAOYSA-N 313.492 3.313 10 10 DGCE CCCN(c1ccc(CN)cc1)[C@@H]1C[C@H](OCC)[C@@H]1SC 839055896 HMXIHUYZJHNQAX-IXDOHACOSA-N 308.491 3.271 10 10 DGCE CC(=O)NC1CCC(N(C)Cc2c(O)cc(C)cc2Cl)CC1 840939789 QYMCDSMVDMJHTC-UHFFFAOYSA-N 324.852 3.233 10 10 DGCE Cc1cc(Cl)cc(CN2CCCc3c(cnn3C)C2)c1O 840955492 XBQXDPKCWXHISF-UHFFFAOYSA-N 305.809 3.036 10 10 DGCE Cc1cc(O)c(CN2CCC[C@H]([C@H]3CCCN3)C2)c(Cl)c1 843045989 SACSSDKKCSADLR-XJKSGUPXSA-N 308.853 3.318 10 10 DGCE CC1=C[C@H](C)CN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])C1 844218853 RZKCGJPJBJNCFX-MALLOTDXSA-N 302.330 3.095 10 10 DGCE CCN(CC)c1ccc(CNC(=N)NC2CCCCC2)cc1 849071339 IVUBUHBQWXQOAQ-UHFFFAOYSA-N 302.466 3.479 10 10 DGCE CC[C@@H](N[C@H]1CCN(c2ccc(OC)cc2)C1)c1ccncc1 850488867 VKROJCFGKRFYNT-QFBILLFUSA-N 311.429 3.410 10 10 DGCE COc1cc(CN2CC[C@H]3COC[C@@H]3C2)c(O)c(C(C)(C)C)c1 853585926 LJTKOXVMFMVIIE-ZFWWWQNUSA-N 319.445 3.167 10 10 DGCE C[C@H](NC[C@H]1CCN1C1CCCC1)c1cc(F)cc(F)c1O 858531325 DKSIKNPMKOAAHE-SMDDNHRTSA-N 310.388 3.338 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)C[C@H](C)C(F)(F)F)c1 860242080 OWMLQHKWIVYRCB-DTWKUNHWSA-N 305.296 3.167 10 10 DGCE Cc1cc(C)c([C@H](C)NC[C@H]2CC3(CCOCC3)CO2)c(O)c1 866530365 AAPWFSTUYZZIEK-JKSUJKDBSA-N 319.445 3.245 10 10 DGCE CC1(C)CN(C(=O)/C=C\c2ccc(O)c(O)c2)[C@H]1c1ccco1 869788464 QRUMZISYJOSLMX-QLBOMPFWSA-N 313.353 3.314 10 10 DGCE COc1ccc(N(C)Cc2cnc3onc(C)c3c2)cc1OC 894461900 LOTPDNDUCCPQQG-UHFFFAOYSA-N 313.357 3.185 10 10 DGCE COc1cc(C)cc(CNc2cccc3c2OCC[C@@H]3O)c1O 894469999 LJUYVZWCSRKXEG-HNNXBMFYSA-N 315.369 3.137 10 10 DGCE c1csc(SCCCN[C@H](C2CC2)[C@H]2CCCOC2)n1 925104380 YDTVHJGDGQTSQL-UONOGXRCSA-N 312.504 3.420 10 10 DGCE CCCCc1nnc(NC(=O)NCc2c(O)cccc2F)s1 929252611 RULJJPPLNGNWQV-UHFFFAOYSA-N 324.381 3.047 10 10 DGCE Cc1ccc2oc(CNC(=O)c3ccc(C)c(O)c3O)cc2c1 1147486211 SUMWSOCDPGOXHR-UHFFFAOYSA-N 311.337 3.391 10 10 DGCE CCOc1ccc(N(Cc2nn(CC)nc2C)CC2CC2)cc1 1196952937 NINBKDHBKQYWJF-UHFFFAOYSA-N 314.433 3.422 10 10 DGCE CCN1CCN(C(=O)/C(C)=C\c2cccnc2)c2ccccc21 1326767266 BWVYONIIIKUAFI-SQFISAMPSA-N 307.397 3.358 10 10 DGCE C[C@H](NC(=O)c1cccc2c1COCC2)c1ccc(N(C)C)cc1 1328667102 RGGUJHZEPLBOCU-AWEZNQCLSA-N 324.424 3.316 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@H]2CC[C@@H]2C)cc1 1331730039 IHAJKSDPJGJLHN-DJJJIMSYSA-N 324.424 3.364 10 10 DGCE CCC[C@H](C)C(=O)NC[C@H](C)NCc1ccc(OC)c(C)c1 1480439698 UZEWKZREBHEFFK-ZFWWWQNUSA-N 306.450 3.034 10 10 DGCE O=C(NCc1cc(O)ccc1O)c1cccc(C(F)(F)F)c1 1633595103 IKDWHMSOIKYIPP-UHFFFAOYSA-N 311.259 3.047 10 10 DGCE CC[C@@H](C)CONC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C 1682865590 BUHZDSIIUFYSGZ-HIFRSBDPSA-N 321.465 3.269 10 10 DGCE CC1CCN(c2ccc(/N=N/N3CCCNCC3)cc2)CC1 1860486100 NTNITEJOPHPEHQ-FMQUCBEESA-N 301.438 3.217 10 10 DGCE CC[C@](C)(O)CN(Cc1ccccc1)c1ccc(CO)cc1F 1915193333 MBJHXZQROYUBCM-IBGZPJMESA-N 317.404 3.486 10 10 DGCE CCN[C@H](C[C@@H](C)NC(=O)OC(C)(C)C)c1ccccc1O 1928469807 LWLUCWMJTTVEAC-TZMCWYRMSA-N 308.422 3.346 10 10 DGCE CN[C@H](c1ccccc1O)[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1937868640 IWLKIBWANAQZQN-MAZHCROVSA-N 320.433 3.298 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CC[C@H](C1)N2CCCN=[N+]=[N-] 1962306366 ZFBMXACANKTBCB-XYYAHUGASA-N 309.414 3.207 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H](Oc2ccc(N)cc2)[C@H](C2CC2)C1 1992468972 PVJHPMBTLMOTRV-HOTGVXAUSA-N 318.417 3.293 10 10 DGCE Cc1ccc(CN[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)c(O)c1 1994457081 VAQKFTKYAXOULM-CABCVRRESA-N 320.433 3.236 10 10 DGCE CC[C@@H](C(F)F)N(C)c1ccc(CO)c(Br)c1 2009024590 ZPJOUDDUXYIHDM-NSHDSACASA-N 308.166 3.421 10 10 DGCE CN(C)c1ccc([C@@](C)(O)c2cnn(Cc3ccccc3)c2)cc1 2024747216 RREICRSTQUBBEC-HXUWFJFHSA-N 321.424 3.253 10 10 DGCE C[C@@H]1CCOC[C@@H]1N(C)Cc1c(O)cccc1Br 2035132035 PKDDSNRUPAAIQU-MFKMUULPSA-N 314.223 3.012 10 10 DGCE CO[C@@H]1CCCN(Cc2cccc(Br)c2O)[C@@H]1C 2037813379 UEJMBJCHIMRFGQ-ZWNOBZJWSA-N 314.223 3.154 10 10 DGCE Cc1ccc(Cn2nc(C3CCCCC3)cc2CO)c(O)c1 2070145025 SRULHQBNJVJBCA-UHFFFAOYSA-N 300.402 3.485 10 10 DGCE Cc1ccc([C@H](C)n2nc(C)c(N)c2Br)c(O)c1 2079126337 WHEMUNGXDXHDEL-VIFPVBQESA-N 310.195 3.160 10 10 DGCE O=C(OCc1ccccc1)N1CC[C@H](c2ccc(O)c(O)c2)C1 2081067193 XSWGOBSDBFCKQC-HNNXBMFYSA-N 313.353 3.224 10 10 DGCE C[C@@H](CS(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1)C1CC1 2087902398 BLSYGIOXDHAFJJ-ZETCQYMHSA-N 324.229 3.487 10 10 DGCE CN(C[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32)c1ccc(CN)c(Br)c1 2134488190 WIRVMUZTQGBEEJ-KFLCQZFPSA-N 321.262 3.246 10 10 DGCE Cc1cc(CN(C)C(=O)c2cccc(O)c2O)sc1Cl 2165333272 NDDWIZXAUNGNBC-UHFFFAOYSA-N 311.790 3.393 10 10 DGCE NCc1cc(F)c(N2C[C@@H]3CCC(F)(F)[C@H]3C2)cc1Cl 2190003251 UCPTWZNVAHVFGC-WPRPVWTQSA-N 304.743 3.419 10 10 DGCE C[C@H](O)c1cc(F)c(N(C)C[C@@H](F)C(F)(F)F)c(F)c1 2194506969 AYADULPCTLWKIW-QUBYGPBYSA-N 301.230 3.355 10 10 DGCE COc1ccccc1OCCNCc1cnc(SC)s1 2208419978 LZJVPFJSSTYHSY-UHFFFAOYSA-N 310.444 3.042 10 10 DGCE CN(c1ccc(CO)cc1Cl)C1CSCCSC1 2221348461 CTVDHNBJHCVIFO-UHFFFAOYSA-N 303.880 3.117 10 10 DGCE C[C@@H](CF)N(C)c1ccc(C=CC(=O)O)c(Br)c1 2257912088 IVMPKTCYWMSETM-VIFPVBQESA-N 316.170 3.341 10 10 DGCE CC[C@@H]1CN[C@H](C(C)(C)C)CN1Cc1cnc(SC)s1 2284675777 CYNJTEIZFOUYPN-YPMHNXCESA-N 313.536 3.464 10 10 DGCE COC(=O)C=Cc1ccc(N(C)Cc2ccco2)c([N+](=O)[O-])c1 2296857198 OIFIVERGRAJWIJ-UHFFFAOYSA-N 316.313 3.010 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)NC[C@H]1CCCc2ccccc21 2307982309 ZASIVRACVUGVIF-MRXNPFEDSA-N 323.392 3.347 10 10 DGCE CC(=O)N(C(=O)NC=Cc1ccccc1C)c1ccc(N)cc1 2325885320 YESQJIIJEXMEQL-UHFFFAOYSA-N 309.369 3.311 10 10 DGCE COC[C@@H]1CCCN1Cc1ccc(C)c(Br)c1O 2327600588 VTFKDIGHXYSNEV-LBPRGKRZSA-N 314.223 3.074 10 10 DGCE CS[C@@H]1CC[C@@H]1NCc1cc(OC(F)(F)F)ccc1O 2361044190 VIRWSPHZGGLYQB-CMPLNLGQSA-N 307.337 3.274 10 10 DGCE CCCN[C@H](CSc1nccs1)c1ncnn1C(C)C 2366014746 LRVGGEHFJDOFSL-LLVKDONJSA-N 311.480 3.149 10 10 DGCE C[C@H](C(=O)Nc1ccc(N)cc1)[S@](=O)c1cccc(Cl)c1 54186086 AZYIEOGKCDTSJP-LADRHHBVSA-N 322.817 3.057 10 10 DGCE COc1ccc(O)c([C@H](C)NC[C@@H](O)c2cc(F)ccc2F)c1 305780127 SPDOINAQXPFQRX-DYZYQPBXSA-N 323.339 3.063 10 10 DGCE C[C@@H](Nc1ccc2oc(=O)n(C)c2c1)c1cc(F)ccc1O 186439170 HXWHTKQARCWXRU-SECBINFHSA-N 302.305 3.149 10 10 DGCE Nc1ccc(CC(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1 37044271 QHQYNKGQHPAODU-QWHCGFSZSA-N 300.324 3.049 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@H](C)CN2CCCCCC2)c1 186738355 WVUVTCXVVHPOTR-CABCVRRESA-N 306.450 3.316 10 10 DGCE C[C@H](NCC1(CN(C)C)CCCC1)c1ccc(F)c(F)c1O 187919144 VPBHERUSXOMPRA-LBPRGKRZSA-N 312.404 3.443 10 10 DGCE COc1cc(OC)c(N2CCNC3(CCCC3)C2)cc1Cl 86129514 SYQKESIFSIYUTI-UHFFFAOYSA-N 310.825 3.080 10 10 DGCE CCN(Cc1cc(Br)ccc1O)Cc1n[nH]cc1C 290571096 YNHLISSDIZTVTK-UHFFFAOYSA-N 324.222 3.208 10 10 DGCE O=C(O)/C=C\c1ccc(N2CC[C@@H]3C[C@@H]32)cc1Br 707063168 UPVITVWDEWMOPL-BMHFLHBOSA-N 308.175 3.146 10 10 DGCE COC(=O)c1cccc(CNCc2cc(Cl)cc(C)c2O)c1 809730600 UUDCWWWCZFNDTM-UHFFFAOYSA-N 319.788 3.430 10 10 DGCE C[C@H](N[C@@H]1CC12CC2)c1cc(Br)c(F)cc1O 818357165 VUVFASOGPJOLQD-JVXZTZIISA-N 300.171 3.497 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)Nc3ccsc3)C2)cc1 821826193 FVIRCSSKGJQBKP-GFCCVEGCSA-N 317.414 3.157 10 10 DGCE CN(C)CC[C@@H](N[C@@H]1CCc2cccc(O)c21)c1cccnc1 903381372 WBCQKNTVVGNJGZ-IAGOWNOFSA-N 311.429 3.057 10 10 DGCE CCOC1(C(=O)NCc2ccc(N(CC)CC)cc2)CCC1 822607819 NQJBXUSAAYGXFS-UHFFFAOYSA-N 304.434 3.108 10 10 DGCE C[C@H](N[C@@H]1CCN(C)[C@H]1C)c1ccc(Cl)c(Cl)c1O 903299893 CTQDKSWZJALULI-HOTUBEGUSA-N 303.233 3.442 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)C(C)(C)CC 900399181 AKSQDYHSGWIREN-UHFFFAOYSA-N 304.434 3.106 10 10 DGCE Cc1cc(Cl)cc(CN2CCC[C@@H]([C@H]3CCNC3)C2)c1O 843125244 OXOOBJMCVOLCEY-UONOGXRCSA-N 308.853 3.176 10 10 DGCE CN(C)c1ccc(CNC(=O)C[C@H]2OCc3ccccc32)cc1 846783673 CCBGISOLDYARPM-GOSISDBHSA-N 310.397 3.030 10 10 DGCE COc1nnc(CN(c2ccc(OC)c(F)c2)C(C)C)s1 929951855 VCLHYCMNJWAMPE-UHFFFAOYSA-N 311.382 3.109 10 10 DGCE COC(=O)c1ccc(O)c([C@H](C)NC[C@](C)(O)CCC(C)C)c1 756601839 BKEBAQVEWHUBEJ-SCLBCKFNSA-N 323.433 3.017 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)C[C@@H]3CCC[C@H]3C)C2)cc1 855223667 CETABBIFVBFHIE-PMPSAXMXSA-N 316.445 3.216 10 10 DGCE COc1ccc(CNCc2cc(F)cc(F)c2O)c(C)c1OC 922966129 GXCRWISMJPIXKT-UHFFFAOYSA-N 323.339 3.286 10 10 DGCE CCC(CC)[C@@H](C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855233539 IFBSXNPLTQTJNP-ZBFHGGJFSA-N 318.461 3.462 10 10 DGCE Clc1cnc(Sc2ncnc3c2ncn3C2CC2)s1 853964372 KYRKRXXIVHTVJC-UHFFFAOYSA-N 309.807 3.422 10 10 DGCE Cc1cc(O)c(CN[C@H]2C[C@@H]3OC(C)(C)O[C@@H]3C2)c(Cl)c1 922871653 UIOYVNWWSWHJRF-LYILDCAHSA-N 311.809 3.126 10 10 DGCE C[C@@H](N)c1ccc(N2CCO[C@@](C)(C(F)F)C2)cc1Cl 698821676 KHNYYYNBHQJLCC-YMTOWFKASA-N 304.768 3.220 10 10 DGCE COC(=O)c1ccc(O)c([C@H](C)NC[C@@](C)(O)CCC(C)C)c1 756601840 BKEBAQVEWHUBEJ-UGSOOPFHSA-N 323.433 3.017 10 10 DGCE C[C@@H](NC[C@H]1CCN1C1CCCC1)c1cc(F)cc(F)c1O 858531322 DKSIKNPMKOAAHE-BXUZGUMPSA-N 310.388 3.338 10 10 DGCE C[C@@H](CC(F)(F)F)C(=O)NCc1ccc2cccnc2c1O 862024871 ITQRAASHMROZDC-VIFPVBQESA-N 312.291 3.145 10 10 DGCE COc1ccc(N2CC[C@H](NC[C@]3(C)CCCS3)C2)cc1 862407734 KZCRAWLAFSQDKW-YOEHRIQHSA-N 306.475 3.149 10 10 DGCE CN(C)c1cc(F)c(CN2CCC[C@H]([C@H]3CCOC3)C2)cc1F 862253099 IQZWHLUSIDGSKW-KBPBESRZSA-N 324.415 3.279 10 10 DGCE C[C@@H](Nc1cnn(C)c1C1CC1)c1cc([N+](=O)[O-])ccc1O 769979541 GYYYBSXRFHWSMS-SECBINFHSA-N 302.334 3.084 10 10 DGCE C[C@H](NC1([C@@H]2CCCCO2)CCC1)c1cc([N+](=O)[O-])ccc1O 866622591 HKNAVWNSQNHZHL-LRDDRELGSA-N 320.389 3.443 10 10 DGCE COCC1(CNC(=O)N[C@@H](C)c2ccccc2O)CCCCC1 868631412 SEFGDQBIBINEKM-AWEZNQCLSA-N 320.433 3.349 10 10 DGCE COc1ccc(O)c(CNC(=O)CCCCCCSC)c1 860242221 RJAJVOZQGNMRKF-UHFFFAOYSA-N 311.447 3.331 10 10 DGCE COc1ccc(O)c(CN[C@@H](c2cnn(C)c2)C(C)(C)C)c1 776231983 RZYFVVKACJSHQG-INIZCTEOSA-N 303.406 3.011 10 10 DGCE CCc1nn(C)c(Cl)c1CN1CCc2cc(OC)ccc21 772600813 ZTXWYNTYUKOHJD-UHFFFAOYSA-N 305.809 3.207 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1[C@H]2CCC[C@H]21 787401606 PNKPDDPISSWVRU-BJWYYQGGSA-N 301.434 3.083 10 10 DGCE Oc1c(F)cc(F)cc1CN1CCO[C@H](c2cccs2)C1 893978127 PDUNPTSXOYGVGN-ZDUSSCGKSA-N 311.353 3.305 10 10 DGCE COc1cnccc1[C@H](C)NCc1c(O)ccc(Cl)c1F 790993323 TXAQEEUCKBSMJU-VIFPVBQESA-N 310.756 3.439 10 10 DGCE Cc1ccccc1COCC(=O)NCc1cccc(Cl)c1O 1472316625 ACUYPIPFLIEFMI-UHFFFAOYSA-N 319.788 3.187 10 10 DGCE CCOCCCNCc1ccc(N2CCCC2)c(OCC)c1 211894504 GEKFVLVOGPOQOW-UHFFFAOYSA-N 306.450 3.202 10 10 DGCE CC[C@@H](NC(=O)c1cc(C)n(-c2ccccc2C)c1C)[C@@H](C)O 1556585667 BLBQDQSNPNVVDE-NVXWUHKLSA-N 314.429 3.292 10 10 DGCE C[C@@H](C(=O)NCc1cc(O)ccc1O)c1ccc(Cl)cc1 1633598895 GONGDVYWJXMXNW-SNVBAGLBSA-N 305.761 3.171 10 10 DGCE [N-]=[N+]=N[C@H]1CCN(C(=O)C=Cc2ccccc2Br)C1 1912193885 RBVNNCSDNZSEAJ-NSHDSACASA-N 321.178 3.374 10 10 DGCE [N-]=[N+]=N[C@@H]1CCN(C(=O)CSCc2ccc(Cl)cc2)C1 1912184320 DRYFBWAUWZHJPM-GFCCVEGCSA-N 310.810 3.484 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)Nc2cccnc2C2CC2)cc1 1640235587 IGGCKBAZGSRELR-UHFFFAOYSA-N 309.329 3.374 10 10 DGCE CCO[C@@H](C(=O)NCc1cccc(Cl)c1O)c1ccccc1 1648606544 SCROJXFURBTVQD-MRXNPFEDSA-N 319.788 3.440 10 10 DGCE CC[C@H](C)CC(=O)N(C)C[C@@H](C)NCc1ccc(OC)c(C)c1 1571384782 VXCMDNSMJCFWBH-GOEBONIOSA-N 320.477 3.376 10 10 DGCE COc1ccc(CNC/C=C/CNC(=O)CC(C)(C)C)cc1C 1699233133 PDLLVWXGKIXIDL-VOTSOKGWSA-N 318.461 3.202 10 10 DGCE CCNCc1ccc(N2CCN3CCCC[C@@H]3C2)c(Cl)c1 164155270 GWRUZHAVTZFYMX-OAHLLOKOSA-N 307.869 3.124 10 10 DGCE CCc1ccccc1C(=O)Nc1cccc(N2CCOCC2)c1 153299096 PHUDUDQQJUCNCK-UHFFFAOYSA-N 310.397 3.338 10 10 DGCE CSC(C)(C)CN[C@@H](C)c1ccc(N2CCC(O)CC2)cc1 154213721 KZUMBZXZEYMXQD-AWEZNQCLSA-N 322.518 3.440 10 10 DGCE CCN(CC)CCN=NNc1cccc(C(=O)OC(C)C)c1 1860495585 ICAXVUYZLOCBKI-UHFFFAOYSA-N 306.410 3.373 10 10 DGCE C[C@H](O)CN(Cc1ccccc1)c1ccc([C@@H](C)N)cc1F 1914606947 DZBDVSZSPYEHBJ-UONOGXRCSA-N 302.393 3.233 10 10 DGCE C[C@H](N[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)c1ccccc1O 1904217761 GOGBMZCJJASVML-SCLBCKFNSA-N 320.433 3.442 10 10 DGCE CN[C@H](c1ccccc1O)C1(CNC(=O)OC(C)(C)C)CCC1 1936973487 KNNJBOKUFSDEFO-OAHLLOKOSA-N 320.433 3.348 10 10 DGCE CC[C@@H](NC(=O)OC(C)(C)C)[C@](C)(N)c1ccc(N(C)C)cc1 1977946384 VMWHJALXHNLNOG-CRAIPNDOSA-N 321.465 3.230 10 10 DGCE CC(C)(C)OC(=O)N1CC(CCCNCc2ccc(N)cc2)C1 1981057439 UAAOWXOLBZDCOI-UHFFFAOYSA-N 319.449 3.006 10 10 DGCE CCN(Cc1ccc(N)cc1)Cc1ncccc1Br 311456914 UQPRPHPQUTXLIN-UHFFFAOYSA-N 320.234 3.448 10 10 DGCE CCO[C@@H]1CCN(c2ccc([C@H](C)N)c(Br)c2)C1 701700385 OKMVGDNZKQQBFO-CMPLNLGQSA-N 313.239 3.084 10 10 DGCE CCN[C@H](C)c1ccc(N2CCO[C@@H](CF)C2)c(Cl)c1 2172041743 PLKSYBNVTCALGB-YPMHNXCESA-N 300.805 3.185 10 10 DGCE CNCc1ccc(N2CCC[C@H](CF)C2)c(Br)c1 711455372 PKWPSKLNKUIPQL-GFCCVEGCSA-N 315.230 3.354 10 10 DGCE Oc1ccc(F)cc1CNCc1cnc(Br)s1 718212518 RKDPIRJNVOAVCX-UHFFFAOYSA-N 317.183 3.040 10 10 DGCE COc1ccc(O)c([C@@H](C)n2nc(C(C)C)cc2C(=O)O)c1 2069998298 ANMISHJGONYRFZ-SNVBAGLBSA-N 304.346 3.028 10 10 DGCE CCc1nn([C@@H](C)c2ccc(OC)cc2O)c(Cl)c1C(=O)O 2079979792 VDGYYJGQPHVVFG-QMMMGPOBSA-N 324.764 3.121 10 10 DGCE CCOC(=O)c1sc(C(F)F)c(Br)c1O 2080390200 DVIZADCOEXOGKU-UHFFFAOYSA-N 301.108 3.331 10 10 DGCE CNCc1ccc(N(C)C[C@@H]2[C@H]3CC[C@H]32)cc1Br 2041989165 DNUFUYVIPSKPJN-WDNDVIMCSA-N 309.251 3.261 10 10 DGCE C[C@@H](N)c1ccc2c(c1)CCN2CC1(Br)CCC1 2049203706 DJVVSHJYHIMXDG-LLVKDONJSA-N 309.251 3.386 10 10 DGCE CNCc1ccc(N(C)C2[C@@H]3C[C@@H]3[C@H]3C[C@@H]23)c(Br)c1 2110320835 ZBCOCJXDDKUJTM-FDYHWXHSSA-N 321.262 3.259 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)c2cccnc2Br)CC1 2099330187 UNYALQRXUZBARE-VIFPVBQESA-N 324.182 3.149 10 10 DGCE Cc1cccc(N(C)C(=O)/C=C/c2cnn(-c3ccccc3)c2)n1 118625383 DLXSJNOSMRUVSF-VAWYXSNFSA-N 318.380 3.252 10 10 DGCE Cc1ccc(CNC[C@H]2CC[C@@H]2NC(=O)OC(C)(C)C)c(O)c1 2244713415 MHNVZIBBSIIMHO-HIFRSBDPSA-N 320.433 3.094 10 10 DGCE C[C@H](Nc1cnccc1Br)c1cc(O)ccc1O 2264160162 NLBBZHPPOORWGH-QMMMGPOBSA-N 309.163 3.428 10 10 DGCE O=C(/C=C\c1cnccn1)N1CCCSc2ccc(F)cc21 491990539 KZCXLTGQLINTNY-HYXAFXHYSA-N 315.373 3.158 10 10 DGCE Nc1ccc2c(ccn2Cc2nc(Br)cs2)c1 2303338691 BNWJBHVVFYSXKJ-UHFFFAOYSA-N 308.204 3.491 10 10 DGCE C[C@H](NC(=O)C=Cc1ccc(O)c(O)c1)c1cccc(F)c1F 2308009214 FMOFEPYSTJUMPC-JTQLQIEISA-N 319.307 3.267 10 10 DGCE Cc1ncsc1C=CC(=O)N1CCN(C)c2cc(F)ccc21 2310095396 VAABWBPXEAHDNJ-UHFFFAOYSA-N 317.389 3.087 10 10 DGCE C[C@@H]1SC(=S)N(c2ccc(Br)cc2)C1=O 3622076 NIKPYJOLPHRQBB-LURJTMIESA-N 302.218 3.202 10 10 DGCE O=C1/C(=C\c2ccc[nH]2)SC(=S)N1Nc1ccccc1 27231123 YWHCDVWFHSMUEU-FMIVXFBMSA-N 301.396 3.243 10 10 DGCE CCCCN(CCO)c1ccc([C@@H](C)N)cc1Br 61697009 VFYJTFPTWRMFMK-LLVKDONJSA-N 315.255 3.068 10 10 DGCE CN[C@@H](C)c1ccc(N(C)CCCOC)c(Br)c1 62032128 XSZHFPAGKZWOAL-NSHDSACASA-N 315.255 3.202 10 10 DGCE CCOc1ccc(O)c(CN2CCOC[C@@H]2c2ccc(C)o2)c1 93460043 DRPLYWZTWPHBJV-MRXNPFEDSA-N 317.385 3.266 10 10 DGCE COCCCN(C)[C@H](C)c1cc(Br)ccc1O 134045056 FCABMGYVYRUSLV-SNVBAGLBSA-N 302.212 3.184 10 10 DGCE C[C@@H](NC1CCS(=O)CC1)c1ccc2ccccc2c1O 157933378 HMMYYABABCWVHM-AVHPMIGVSA-N 303.427 3.107 10 10 DGCE CC[C@H]1CO[C@H](C)CN1c1ccc(CN)cc1C(F)(F)F 163688194 OXXILLRFZVDSFT-PWSUYJOCSA-N 302.340 3.168 10 10 DGCE Cc1cc(C(=O)N2CCS[C@@H](C)C2)c(C)n1-c1ccccn1 171571954 TZXVCAODXGKPRV-ZDUSSCGKSA-N 315.442 3.067 10 10 DGCE Cc1cc(Cl)cc(CN2CC[C@@H](CN3CCCC3)C2)c1O 180393210 LORYJXAUFJQYLO-AWEZNQCLSA-N 308.853 3.272 10 10 DGCE Cc1nc([C@@H]2CCCN2Cc2cc3c(cc2O)OCO3)cs1 186857671 GJVCOOUUVFVXQK-ZDUSSCGKSA-N 318.398 3.223 10 10 DGCE CC1CCN(CCCN[C@H](C)c2ccc(F)c(F)c2O)CC1 191188129 HPNQQFJDVGDSPF-CYBMUJFWSA-N 312.404 3.443 10 10 DGCE Nc1ccc(O[C@H]2C[C@H]3CC[C@H]2CN3CC(F)(F)F)cc1 259566532 NWFGRJSPWFSUJY-SUHUHFCYSA-N 300.324 3.063 10 10 DGCE C[C@H]1CN(c2ccc(OC(F)(F)F)c(Cl)c2)[C@@H](C)CN1 401296272 OJACKRLOCHIBGI-IUCAKERBSA-N 308.731 3.425 10 10 DGCE COc1ccc(CCN[C@H](C)c2cc(Cl)ccc2O)cn1 527989868 HBNDCMXBMYJFML-LLVKDONJSA-N 306.793 3.343 10 10 DGCE C[C@@H](O)c1ccc(N2CCO[C@H](C(F)F)CC2)cc1Cl 687553561 NOUYXJBUVUJOFQ-RNCFNFMXSA-N 305.752 3.254 10 10 DGCE CCCO[C@@H]1CCN(Cc2cccc(Br)c2O)C1 701666518 XZZUIRQMPCFGFX-GFCCVEGCSA-N 314.223 3.156 10 10 DGCE C[C@H](NCc1c(O)cccc1Br)c1cccnc1 706855824 WCUOEMVJULTOEG-JTQLQIEISA-N 307.191 3.401 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)CCc2ccc(C)o2)c1 746688141 BVFFYSGHDWLLDT-LBPRGKRZSA-N 303.358 3.112 10 10 DGCE CC(C)[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 755968523 MGTBHYFPVLBSKG-CQSZACIVSA-N 307.413 3.079 10 10 DGCE C[C@H]1C[C@H](NCc2cccnc2N(C)C)c2c(O)ccc(F)c21 756411425 PWYABHGDRARBPF-FZMZJTMJSA-N 315.392 3.330 10 10 DGCE Cc1cc(C)c(O)c(CN2CCC(c3nccc(C)n3)CC2)c1 758245306 GNOFLZWKTORDBI-UHFFFAOYSA-N 311.429 3.487 10 10 DGCE CO[C@@H]1CCC[C@H](N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1 773084608 URQGKWXZVDTBLM-VDZJLULYSA-N 318.461 3.131 10 10 DGCE COc1cc(CN2CCCC[C@@H]2c2ccnn2C)c(O)cc1C 799149946 UUBCSPSKDYDRLI-MRXNPFEDSA-N 315.417 3.170 10 10 DGCE Cc1cc(Cl)cc(CNCc2ccc([S@](C)=O)cc2)c1O 809793710 LOYOBRHNJZGURU-NRFANRHFSA-N 323.845 3.381 10 10 DGCE CCN(Cc1cc(C)cc(Br)c1O)[C@@H]1CCOC1 812780718 PCHDBWJLTCPLRG-GFCCVEGCSA-N 314.223 3.074 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H](O)CC(C)(C)C 813425715 RBBVUUMWGHKOJR-KRWDZBQOSA-N 320.477 3.288 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)/C=C\C1(C)CCOCC1 822264757 CUNRRGFHYYSTLM-KTKRTIGZSA-N 316.445 3.084 10 10 DGCE CO[C@H](CCNCc1ccc(N(C)C)cc1C)C(F)(F)F 840940262 WOJGKHOAIPIPRM-CQSZACIVSA-N 304.356 3.118 10 10 DGCE C[C@@H](CCC(F)(F)F)NC[C@@H](N)c1ccc(N(C)C)cc1 841044983 HEKMDTAZKHJNJD-SMDDNHRTSA-N 303.372 3.073 10 10 DGCE COc1ccc(O)c([C@H](C)NCc2cc(OC(C)C)ccn2)c1 844311978 HNJUNSICEPQQIH-ZDUSSCGKSA-N 316.401 3.434 10 10 DGCE C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CC2(CCCCC2)O1 848505675 LLFPQSGJPDHDJK-CYBMUJFWSA-N 319.401 3.045 10 10 DGCE COc1cc(Br)cc([C@H](C)N[C@H]2CC23CC3)c1O 848553932 RNBQOBXQODYQCL-UFBFGSQYSA-N 312.207 3.366 10 10 DGCE C[C@H](N[C@@H](C)c1nccn1C)c1ccc(Br)cc1O 850572459 KFZZCHFKEOTSRI-UWVGGRQHSA-N 324.222 3.300 10 10 DGCE CCC/C(C)=C/C(=O)NCc1ccc(N2CCC(O)CC2)cc1 856210465 CTNODJCTXWEYTN-FYWRMAATSA-N 316.445 3.010 10 10 DGCE Cc1ccc([C@H](C)NCc2c(C(F)(F)F)cnn2C)c(O)c1 858453712 YGZIRFXVZGJXEA-JTQLQIEISA-N 313.323 3.304 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)c1ccns1 858961965 JHJYOKVKFJTQJR-LBPRGKRZSA-N 318.446 3.078 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)[C@H]2CCCC23CC3)cc1 862128253 CIKBAAPEHNZNED-QGZVFWFLSA-N 316.445 3.170 10 10 DGCE C[C@H](NC(=O)C[C@@H]1CCC2(CCC2)CO1)c1ccccc1O 899182117 SARLQUCQQLYGMG-KBPBESRZSA-N 303.402 3.309 10 10 DGCE C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccccc1O 1151885722 DMWZQRBWHIOBQU-SNVBAGLBSA-N 312.329 3.046 10 10 DGCE CC[C@H](CNC(=O)C1(CC)CC1)NCc1ccc(OC)c(C)c1 1269467137 SKLJGDUNWCNHRI-MRXNPFEDSA-N 318.461 3.178 10 10 DGCE Cc1cccc(F)c1C(=O)N1CCOc2cc(N(C)C)ccc21 1343512860 MZCNJUZVKWFWNW-UHFFFAOYSA-N 314.360 3.239 10 10 DGCE CCN(C)c1ccc(CN2CCO[C@@](C)(C(F)(F)F)C2)cc1 1473731695 YRVZNYKYZDWTFR-OAHLLOKOSA-N 316.367 3.296 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)NCC(C1CCC1)C1CCC1 1585553315 FXFJXLKMGOHXOO-NTMALXAHSA-N 315.413 3.444 10 10 DGCE O=[N+]([O-])c1cnc(NCc2ccccc2O)c(C(F)(F)F)c1 1611888936 AZWPCDAWLQLHTC-UHFFFAOYSA-N 313.235 3.326 10 10 DGCE CSc1ccc(O)c(C(=O)NCc2cc(Cl)ccc2O)c1 1639966197 XQEIQKBWCHQIAD-UHFFFAOYSA-N 323.801 3.403 10 10 DGCE C[C@@H](NC(=O)COc1ccc(Cl)cc1)c1ccccc1O 1643738744 OGLIGBLIZPQZOV-LLVKDONJSA-N 305.761 3.302 10 10 DGCE C[C@@H](NC(=O)c1cccc(OC(F)F)c1)c1ccccc1O 1643738803 RJPHVPBHCWCXLE-SNVBAGLBSA-N 307.296 3.485 10 10 DGCE CC(C)(C)c1ccc(C(=O)NCc2cc(O)ccc2O)s1 1644753774 JJXJTWKZLPLBMO-UHFFFAOYSA-N 305.399 3.387 10 10 DGCE COc1ccc(N(C)Cc2ccnc(Br)c2)cc1 1659288383 MIRZLGPIXHEBJU-UHFFFAOYSA-N 307.191 3.489 10 10 DGCE COc1ccc(N(C)CC(=O)NC2(c3ccccc3)CCC2)cc1 1659288384 MJIYMCWWUWQUIE-UHFFFAOYSA-N 324.424 3.327 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@@]12CCC[C@@H]1C2 1673744520 NBDBGGDUSWZEGH-IDHHARJASA-N 315.461 3.234 10 10 DGCE CC/C(C)=C/C(=O)NC/C=C/CNCc1ccc(OC)c(C)c1 1716291169 LBIHXQIDHVPDQY-SIKOUFMJSA-N 316.445 3.122 10 10 DGCE OCC1CC2(C1)CN(c1ccc(OCc3ccccc3)cc1)C2 1899866067 OXBLPMAHCPMMSI-UHFFFAOYSA-N 309.409 3.474 10 10 DGCE CN[C@@H](C[C@@H](NC(=O)OC(C)(C)C)C1CC1)c1ccccc1O 1936988031 YAVLFPLYIUJEPX-CABCVRRESA-N 320.433 3.346 10 10 DGCE Nc1ccc(CN[C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)cc1 1944061258 GXDCYMOPFUUHFZ-CEWLAPEOSA-N 321.468 3.269 10 10 DGCE OCc1ccc(N2CCS[C@H]3CC[C@H]32)cc1Br 1946792180 RAWYGCAIPXATMC-OLZOCXBDSA-N 314.248 3.026 10 10 DGCE CC(C)(C)OC(=O)N1CCN(c2ccc(N)cc2)CC2(CC2)C1 1984725602 KUDDHPMMFOLHOP-UHFFFAOYSA-N 317.433 3.106 10 10 DGCE Oc1ccc(Br)cc1CNCC1(CCF)CC1 2018882136 SMOHDFLVAKRMFA-UHFFFAOYSA-N 302.187 3.384 10 10 DGCE C[C@@H]1CCOCC[C@@H]1NCc1ccc(Br)cc1O 2046728470 VKKBWAFNEUBVBF-MFKMUULPSA-N 314.223 3.059 10 10 DGCE COc1ccc(O)c([C@H](C)n2nc(CC(C)C)cc2C(=O)O)c1 2069878124 UWJZMBYGNDCKKZ-NSHDSACASA-N 318.373 3.103 10 10 DGCE NCc1cc(C2CCCC2)nn1Cc1cc(Cl)ccc1O 2070150697 AYSPPXCXEPEAKL-UHFFFAOYSA-N 305.809 3.407 10 10 DGCE COc1ccc(Cn2ncc(C3CC3)c2Br)c(O)c1 2070266300 BAABSBNMRUZCNI-UHFFFAOYSA-N 323.190 3.286 10 10 DGCE Nc1ccc(CCNc2cc(Br)ccc2N)cc1 2071652658 AFPHKHGIFCXJHO-UHFFFAOYSA-N 306.207 3.268 10 10 DGCE CN[C@H](c1ccccc1O)c1ncc(C)cc1Br 2078742334 XYGCUAFYVYAPCA-CYBMUJFWSA-N 307.191 3.167 10 10 DGCE CCc1nn([C@H](c2cc(C)c(C)cc2O)C2CCC2)c(N)c1N 2079957705 LXHIVHVMALJMPC-KRWDZBQOSA-N 314.433 3.322 10 10 DGCE CNCc1ccc(OCc2cncc(Br)c2)c(C)c1 2098794124 LIZXPWOEFYBZAF-UHFFFAOYSA-N 321.218 3.451 10 10 DGCE Cc1ccnc(COCCc2ccc(N)cc2)c1Br 2119732023 CRJIMCXXXVZVAL-UHFFFAOYSA-N 321.218 3.494 10 10 DGCE CCN1CCc2cc([C@H](O)[C@@H]3SCCS[C@H]3C)ccc21 2163074567 UEMOOWQWJKUXGJ-KNXALSJPSA-N 309.500 3.340 10 10 DGCE CN[C@@H](c1ccc(N(C)C)cc1)[C@@H](O)c1csc(Cl)c1 2163134252 WNFGLSVYRYJHTH-GJZGRUSLSA-N 310.850 3.462 10 10 DGCE CN(Cc1cnn(C(F)F)c1)c1ccc(CN)cc1Cl 2177343786 ZRVORJNEKCBOMT-UHFFFAOYSA-N 300.740 3.027 10 10 DGCE [N-]=[N+]=NC1CCN(C(=O)c2c(Cl)cncc2Cl)CC1 2227698468 ZMFBYOWRCUWWMG-UHFFFAOYSA-N 300.149 3.303 10 10 DGCE CN(C)c1ccc([C@H](NN)c2c(Cl)cncc2Cl)cc1 2235999749 MUSUSLUXXGWUNZ-AWEZNQCLSA-N 311.216 3.007 10 10 DGCE CCCN=c1cc(NCc2cnc(SC)s2)c(C)c[nH]1 2284708001 AAKVZGLKWZPLJU-UHFFFAOYSA-N 308.476 3.424 10 10 DGCE CC(C)N1C(=O)C(=Cc2nc3ccccc3[nH]2)SC1=S 2297507704 YJYMUYFEMIEASW-UHFFFAOYSA-N 303.412 3.173 10 10 DGCE Cc1cccc(N(C)C(=O)C=Cc2cnn(-c3ccccc3)c2)n1 2297605358 DLXSJNOSMRUVSF-UHFFFAOYSA-N 318.380 3.252 10 10 DGCE Cc1cc(NS(=O)(=O)[C@@H]2CCCC[C@H]2F)cc(C)c1O 2366472980 XKZMGUZOINQJFG-CHWSQXEVSA-N 301.383 3.031 10 10 DGCE CC1(C)[C@H]2CC[C@@]1(C(=O)Nc1cccc3ccccc13)C(=O)C2=O 101104002 KAUGCAKMNGVTJK-XOBRGWDASA-N 321.376 3.353 10 10 DGCE COc1ccc(N2CCN(Cc3cc(C)ccc3O)CC2)cc1 179942984 AZVPSDJAIOAMBE-UHFFFAOYSA-N 312.413 3.031 10 10 DGCE Oc1ccccc1CNC1(c2ccc(F)cc2F)CCOCC1 124817273 XRCWVXCNMAZOMV-UHFFFAOYSA-N 319.351 3.466 10 10 DGCE Nc1ccc(CN(C(=O)c2ccc(Cl)cn2)C2CC2)cc1 79728398 XWCAWBPFJLXXAL-UHFFFAOYSA-N 301.777 3.122 10 10 DGCE O=C1NC(=S)SC1=Cc1cc(F)ccc1Br 2304764756 APDSUAPJQXIPBX-UHFFFAOYSA-N 318.192 3.077 10 10 DGCE COc1ccc(O)c(CNC(=O)/C=C\c2cc3ccccc3o2)c1 255279254 OVHBWKZPGLLJAR-CLFYSBASSA-N 323.348 3.477 10 10 DGCE CCOCc1nc([C@H](C)N[C@@H](C)c2cc(C)ccc2O)no1 290113707 IWZZQKZJWYZALU-RYUDHWBXSA-N 305.378 3.032 10 10 DGCE CN(Cc1ccccc1O)C(=O)NCCc1cccc2[nH]ccc12 800743044 BXSJYWWTKUVVQN-UHFFFAOYSA-N 323.396 3.258 10 10 DGCE CCN(C)c1ccc(CN[C@@](C)(c2noc(C)n2)C2CC2)cc1 815123881 JUFUDIADXVFOIW-GOSISDBHSA-N 314.433 3.249 10 10 DGCE O=C(NCCCCF)N(Cc1ccco1)Cc1ccccc1O 813226366 GQPRIUMKEASRJM-UHFFFAOYSA-N 320.364 3.447 10 10 DGCE CCN(CC)c1ccc(CN2CCC[C@@H](C)[C@H]2C(=O)O)cc1F 818631094 CDUFEHMWMZILSC-DYVFJYSZSA-N 322.424 3.357 10 10 DGCE CN1CCCc2cc(CNC(=O)N[C@@H]3CC[C@H]4C[C@@H]4C3)ccc21 826019520 HNOZNRQWDSHBKF-USXIJHARSA-N 313.445 3.057 10 10 DGCE CC(C)N1CCC[C@H](CNC/C=C\c2ccc(N(C)C)cc2)C1 835038575 UBTQVEJJWAEVGR-SUOMESGTSA-N 315.505 3.476 10 10 DGCE CCO[C@@H]1C[C@@H](NCc2cc(Cl)c(F)cc2O)[C@@H]1SC 843430414 UDMARJYNRWTTGS-BNOWGMLFSA-N 319.829 3.183 10 10 DGCE CCO[C@@H](CN[C@H](CC)c1cccc(Cl)c1O)CN(C)C 926962608 RASLHIDZSKWTER-SWLSCSKDSA-N 314.857 3.053 10 10 DGCE Cc1cc(N(C)C)ccc1CN1CCCC[C@H]1[C@H]1CCNC1 841086256 GRTMPRZDJRSMQZ-LPHOPBHVSA-N 301.478 3.025 10 10 DGCE Cc1ccc([C@@H](C)NC[C@@H]2CCC3(CCOCC3)O2)c(O)c1C 927012945 HXSIYBVSTVZUPB-CVEARBPZSA-N 319.445 3.388 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@@H](C)c3ccns3)C2)cc1 926679414 DYKGPTOPASQCAB-QWHCGFSZSA-N 303.431 3.081 10 10 DGCE C[C@H]1C[C@H](NC[C@]23CCC[C@H]2NCC3)c2c(O)ccc(F)c21 925846001 MXUXDABOVUUCQB-KMXJZHQMSA-N 304.409 3.201 10 10 DGCE COc1ccc(N2CC[C@H](N[C@@H](C)c3cnc(C)s3)C2)cc1 850487628 IQGMITYWVDROKZ-JSGCOSHPSA-N 317.458 3.390 10 10 DGCE CCOc1cccc(CN[C@H]2COc3cccc(C)c3C2)c1O 858215422 DXZPWCUQNYSJRU-OAHLLOKOSA-N 313.397 3.193 10 10 DGCE COC[C@H]1CCCN1c1ccc([C@H](C)N)cc1Br 696544522 GXEHLEIFOJLWEE-CMPLNLGQSA-N 313.239 3.084 10 10 DGCE Oc1ccccc1CN1CCN(Cc2cc3ccccc3[nH]2)CC1 862535100 RKSNPNDJZDHZIH-UHFFFAOYSA-N 321.424 3.191 10 10 DGCE COc1ccc2c(c1)[C@H](C(=O)N1Cc3cccc(O)c3C1)CCC2 871204038 AURLJXKJKOENKA-MRXNPFEDSA-N 323.392 3.363 10 10 DGCE CCOc1ccc(CNc2cn(C)nc2-c2ccccn2)c(O)c1 784617192 MENOOINTYDEZHL-UHFFFAOYSA-N 324.384 3.199 10 10 DGCE O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cc2cc(O)c(O)cc2s1 898106436 NSIQRGAVESJRSP-FXPVBKGRSA-N 303.383 3.231 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCO[C@H]2CCC[C@@H]21 132757875 JZZSWFVTIMMKTK-STQMWFEESA-N 302.201 3.452 10 10 DGCE CCCN(Cc1ccc2nc(O)[nH]c2c1)Cc1ccccc1O 893984637 ROMCXVZNWHBIRG-UHFFFAOYSA-N 311.385 3.386 10 10 DGCE CSC1CC(NCc2cc(Br)ccc2O)C1 708268415 BDWANHRDQHSYGB-UHFFFAOYSA-N 302.237 3.138 10 10 DGCE CC[C@H](C)Oc1cc(NCCc2ccc(O)c(O)c2)nc(C)n1 1185611987 RIDQQNUUEKTSFS-NSHDSACASA-N 317.389 3.028 10 10 DGCE COC(C)(C)[C@@H](C)NCc1cc(Br)cc(F)c1O 720148148 JMEQFMKQWONIDK-MRVPVSSYSA-N 320.202 3.197 10 10 DGCE CC(C)n1cc(NC(=O)NCc2cccc(Cl)c2O)cn1 1333472379 SYJCIHMADFPAFF-UHFFFAOYSA-N 308.769 3.145 10 10 DGCE CN(C)c1ccc([C@](C)(N)c2ccncc2Br)cc1 2120107341 QBTWEUIXNWWEEA-HNNXBMFYSA-N 320.234 3.132 10 10 DGCE CN1CCC(N(C)/N=N/c2ccc(Br)cc2)CC1 1860485090 QZOUZFZXZFCZFQ-FOCLMDBBSA-N 311.227 3.474 10 10 DGCE CN(Cc1ccccc1O)C(=O)c1cccc(-c2cnco2)c1 1622317805 YQMFOFLDODJENX-UHFFFAOYSA-N 308.337 3.319 10 10 DGCE CCC1(C(=O)N[C@H](C)CCNCc2ccc(OC)c(C)c2)CC1 1715679690 WDSDGFPVWDGVLC-OAHLLOKOSA-N 318.461 3.178 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1ccnn1C1CCC1 1639387474 LIWZHGYDMNWMTL-UHFFFAOYSA-N 321.380 3.397 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H]1C[C@@H]1c1ccccc1 1639946333 FCDWNAWUFZOIRS-LRDXNBAQSA-N 309.365 3.031 10 10 DGCE Cn1cc([C@@H]2CCCN2Cc2cc3c(cc2O)CCCC3)cn1 160132853 SXJPUJQPHMQKJS-SFHVURJKSA-N 311.429 3.342 10 10 DGCE CC(=O)n1ncc2c(C(=O)Nc3cccc(N(C)C)c3)cccc21 1866066057 ADDCOLADXIHFKY-UHFFFAOYSA-N 322.368 3.015 10 10 DGCE Cc1c(C(=O)Nc2ccc(N)cc2)c(=O)oc2ccc(F)cc12 1866295051 HFHXNWGIFMLOHC-UHFFFAOYSA-N 312.300 3.075 10 10 DGCE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1ccncc1 1889885492 RXMPXEVAXVQAQB-YJBOKZPZSA-N 307.397 3.000 10 10 DGCE CC(C)(C)NCc1cnc(S[C@@H]2CCC[C@@H](O)C2)s1 2133407969 JGZBRHXMSAKQOT-GHMZBOCLSA-N 300.493 3.427 10 10 DGCE CN(CCCC[C@@H](N)c1ccccc1O)C(=O)OC(C)(C)C 1928467954 QQLFTGHFEHSEBC-CQSZACIVSA-N 308.422 3.429 10 10 DGCE CCN[C@@H](c1ccccc1O)[C@@H](NC(=O)OC(C)(C)C)C1CC1 1936973136 FHUUMYLPBPDWIM-HOTGVXAUSA-N 320.433 3.346 10 10 DGCE CN[C@H](c1ccccc1O)[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 1936987656 URYFKDAJPGRCDF-NOLJZWGESA-N 320.433 3.346 10 10 DGCE c1ccc(CO[C@@H]2CC[C@H]2NCc2ccc3c(c2)CCO3)cc1 1939571204 QMHWDBSZKNFZLD-UYAOXDASSA-N 309.409 3.459 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CCO[C@H]1CCCc1ccc(N)cc1 1952924569 FRCKGMQKCAFOSG-HOTGVXAUSA-N 320.433 3.274 10 10 DGCE C[C@H](NCc1nn(C)c(Cl)c1Cl)c1cc(F)ccc1O 2150751009 KZKHMYCLVXZZCH-ZETCQYMHSA-N 318.179 3.422 10 10 DGCE N[C@H](c1ccccc1O)[C@H](O)c1csc(C(F)(F)F)c1 2148160867 DUSIBGULONIOEW-VXGBXAGGSA-N 303.305 3.206 10 10 DGCE C[C@@H](CN(C(=O)OC(C)(C)C)C1CC1)[C@H](N)c1ccccc1O 1987611762 CUWVMDZTNKBPES-LRDDRELGSA-N 320.433 3.428 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2CC(Oc3ccc(N)cc3)C[C@@H]2C1 1992497959 KTCLDWDUNFVNGT-CHWSQXEVSA-N 318.417 3.293 10 10 DGCE CC[C@H](N[C@H]1C[C@H]1NC(=O)OC(C)(C)C)c1ccccc1O 300210180 JOIRUZNICSXMRH-MELADBBJSA-N 306.406 3.099 10 10 DGCE C[C@@H]1C[C@H](CCNCc2cccc(Br)c2O)CO1 2041470265 DFHMYZXXONHUPV-MNOVXSKESA-N 314.223 3.059 10 10 DGCE C[C@@H](c1cc(Cl)ccc1O)N1CC[S@](=O)C(C)(C)CC1 322112147 LLPZQVXFQJZDEG-YBTHPKLGSA-N 315.866 3.340 10 10 DGCE CN(Cc1ccc(Br)cc1O)[C@H]1COC(C)(C)C1 691680491 MDRWECUJOXDKJB-GFCCVEGCSA-N 314.223 3.154 10 10 DGCE Cc1cc(CN)ccc1N(C)[C@H]1CS[C@@H](C(F)(F)F)C1 2189455879 YKJVSDZOUTZCED-DGCLKSJQSA-N 304.381 3.326 10 10 DGCE CN[C@@H](C)c1ccc(N(C)Cc2ccon2)c(Br)c1 2104160950 IORLRCUNGVFMRJ-JTQLQIEISA-N 324.222 3.354 10 10 DGCE Cc1cc(Br)ccc1[C@@H](O)[C@@H](N)c1ccccc1O 2091859174 NESOPZMABAOEOQ-LSDHHAIUSA-N 322.202 3.197 10 10 DGCE COc1cc(Cl)cc(CNCC2(P(C)(C)=O)CC2)c1O 2204528112 ZHDLYIFIJVOVPY-UHFFFAOYSA-N 317.753 3.299 10 10 DGCE CNCc1ccc(N(C)Cc2cc(Cl)ns2)cc1OC 2204552571 CQYRHZOGLGDYFL-UHFFFAOYSA-N 311.838 3.161 10 10 DGCE COC(=O)C1=C(C)N(CC(C)C)C(=O)C1=Cc1ccc(C)cc1 2294028593 YLNYJHHJZFODLD-UHFFFAOYSA-N 313.397 3.324 10 10 DGCE CCN1C(=O)C(=Cc2ccc(Br)o2)SC1=S 2293104102 QJWUMQNCKKFBRE-UHFFFAOYSA-N 318.217 3.263 10 10 DGCE CSc1ncc(CNc2cnc(OC(F)(F)F)cn2)s1 2284508470 RFYDIKMKEKOQFR-UHFFFAOYSA-N 322.337 3.166 10 10 DGCE Cc1ccc(CNCc2nc(C)c(C)[nH]2)c(O)c1Br 2352692859 MYOUMITYOKSXRV-UHFFFAOYSA-N 324.222 3.093 10 10 DGCE CCSC1=NSC2=NC(=O)/C(=C\c3ccccc3)C(=N)N12 3862533 FGSCSROLYISYMJ-AALLTECHSA-N 316.411 3.016 10 10 DGCE CCS[C@H]1CC[C@@H](N(C)Cc2cc([N+](=O)[O-])ccc2O)C1 173870723 CTKPLPZKLHPUHW-OCCSQVGLSA-N 310.419 3.406 10 10 DGCE COc1ccc(CCOCCN=[N+]=[N-])c(Br)c1 2301327229 JCJQOONPKSIWJW-UHFFFAOYSA-N 300.156 3.327 10 10 DGCE CN1CCCc2cc(CNC(=O)CSC(C)(C)C)ccc21 121908257 QWZOPMGGPNHBBW-UHFFFAOYSA-N 306.475 3.217 10 10 DGCE CC[C@@H](CSC)N(C)c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-] 316966380 FJAISQMQOURRBI-VFFGBVLKSA-N 324.402 3.270 10 10 DGCE CC[C@](C)(CCO)NC(=O)c1cc(C)n(-c2ccccc2)c1C 182761837 UMMPNSZAVNYIOF-LJQANCHMSA-N 314.429 3.375 10 10 DGCE O=C(O)c1cc(O)ccc1NC(=O)c1cccc(Cl)c1F 124656642 KXKACJVNYIXUSX-UHFFFAOYSA-N 309.680 3.135 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)N(C)c1nncs1 185377583 RJKCPYUWQJUBDT-UHFFFAOYSA-N 318.427 3.284 10 10 DGCE C[C@@H](NCc1cc(Br)ccc1O)c1ccncc1 227434252 BKNMXPKWALFTKF-SNVBAGLBSA-N 307.191 3.401 10 10 DGCE N[C@@H](c1cc(Br)cc(Br)c1O)C1CC1 95658907 LTMUFJTXHGTWQO-SECBINFHSA-N 321.012 3.327 10 10 DGCE CN(C)c1cccc(NC(=S)Nc2cccc([N+](=O)[O-])c2)c1 244108038 UHYWCXVPTAWYCK-UHFFFAOYSA-N 316.386 3.470 10 10 DGCE Nc1ccc(N(C(=O)NC[C@@H]2CCCO2)c2ccccc2)cc1 242548399 BZVZSUFATAGTLT-KRWDZBQOSA-N 311.385 3.296 10 10 DGCE Cc1cc(Cl)cc(CNC[C@](C)(O)c2ccsc2)c1O 271800105 ISDFHKOLNKILAJ-HNNXBMFYSA-N 311.834 3.413 10 10 DGCE COc1cccc2c1[C@@H](C(=O)NCc1ccc(N(C)C)cc1)CC2 814254716 FJXWFXFHUKCHIR-KRWDZBQOSA-N 324.424 3.107 10 10 DGCE O=C(NCCCSc1nccs1)c1cncc(Cl)c1 825823131 RXYJFVDPXUAYFG-UHFFFAOYSA-N 313.835 3.104 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@H]2CC[C@H](OC)C2)cc1F 826941434 JHUDNLPNGBSWMC-GJZGRUSLSA-N 322.424 3.103 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@@H]2Cc3cccc(O)c3C2)cc1 835048965 NTOXUEZEQHRXTD-VGOKWCNXSA-N 308.425 3.228 10 10 DGCE CCCc1ncc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)o1 834899191 JIMIZCJOYVOBCD-JTQLQIEISA-N 305.334 3.092 10 10 DGCE C/C(=C/c1ccccn1)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 846976980 HWTCSSXUOPIGMD-PLFFATQSSA-N 309.413 3.428 10 10 DGCE Cc1cc(O)c(CNCc2ccc([S@](C)=O)cc2)c(Cl)c1 840902638 HKXBLOARPMXDGB-NRFANRHFSA-N 323.845 3.381 10 10 DGCE CCCN(CCC)c1ccc(CN2CC[C@H](N)[C@H](C)C2)cc1 843051704 KSAYTYBGHVUEKG-APWZRJJASA-N 303.494 3.482 10 10 DGCE Cc1cc(N(C)C)ccc1CN[C@@H](c1ccccc1F)[C@@H](C)O 846012613 GFJYMOGSTFBKEU-AUUYWEPGSA-N 316.420 3.412 10 10 DGCE COc1cccc(O)c1CNC[C@@H]1C[C@H](c2ccccc2)CO1 850378279 WPOKNXSLXLYFNJ-HOTGVXAUSA-N 313.397 3.063 10 10 DGCE C[C@H](NC[C@H](CO)c1ccccc1)c1cc(F)cc(F)c1O 756636304 WSCURNSFWAEQOQ-WCQYABFASA-N 307.340 3.097 10 10 DGCE C[C@H](NCc1c(C2CCC2)cnn1C)c1ccc(F)cc1O 850548853 APCOVSJBEYXRPW-NSHDSACASA-N 303.381 3.383 10 10 DGCE COc1cc(CNc2cc(OC)n(C)n2)c(O)c(C(C)(C)C)c1 850250738 CXMSVBGONHVTIV-UHFFFAOYSA-N 319.405 3.053 10 10 DGCE c1cc(N2CCCC2)ccc1CN1CCCC[C@@H]1[C@@H]1CCNC1 1118016085 TURIBAFLHHTUCO-UYAOXDASSA-N 313.489 3.251 10 10 DGCE Cc1ccccc1-n1c(C)cc(C(=O)NC(C)(C)[C@H](C)O)c1C 782026795 NCLRPNCJJBERGA-HNNXBMFYSA-N 314.429 3.292 10 10 DGCE CN(C)c1cc(F)c(CN2CC[C@H](c3nccs3)C2)cc1F 895582296 KAWODSYELAAOOA-NSHDSACASA-N 323.412 3.477 10 10 DGCE CCc1ccc(C(=O)NCc2ccc3cccnc3c2O)s1 1142728178 NGBVCSHAHHLURP-UHFFFAOYSA-N 312.394 3.494 10 10 DGCE COc1ccc(N(C)CCCNC(=O)OC(C)(C)C)c(OC)c1 798195280 GAYKVFLEUUFKIC-UHFFFAOYSA-N 324.421 3.055 10 10 DGCE Cc1cc(O)ccc1NS(=O)(=O)/C=C\c1ccccc1F 799920405 BVUBXBZGMSVLGX-HJWRWDBZSA-N 307.346 3.252 10 10 DGCE CC(C)(C)OC(=O)N1CCC2(CN(CCCCN=[N+]=[N-])C2)C1 1962288516 XPLJUVNLICUCBM-UHFFFAOYSA-N 309.414 3.020 10 10 DGCE CCOCc1cc(CN[C@@H](C(=O)O)C(C)(C)CC)ccc1OC 1261491348 RVQRIMRJWNEFNH-INIZCTEOSA-N 323.433 3.211 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC[C@H]1C[C@H]1C 1290932207 ZNNCOCMPJQFOFO-IUODEOHRSA-N 310.397 3.292 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)Nc2ccc(O)c(F)c2F)cc1 1297819943 DCWZLENJTJRWPU-UHFFFAOYSA-N 320.255 3.085 10 10 DGCE NCc1cc(F)c(N2CCC[C@]23CCSC3)cc1Cl 2120886588 CMQLPFYKPUZHPB-CQSZACIVSA-N 300.830 3.414 10 10 DGCE C[C@@H](Sc1ccc(F)cc1)C(=O)NCc1ccccc1O 1545681791 CLERNKWOKOWKSZ-LLVKDONJSA-N 305.374 3.328 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H]1/C=C/c1ccccc1 1472163089 LKFJGWQWWPYHSX-VMSUTVGLSA-N 323.392 3.345 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1cnn2c1CCCC2 1472084736 COKHRHALVNBBRH-UHFFFAOYSA-N 321.380 3.008 10 10 DGCE Cc1nnc(N(C)Cc2ccccc2O)n1CCSC(C)C 1543151066 UVUUINZHFPOBGI-UHFFFAOYSA-N 320.462 3.070 10 10 DGCE Cc1ccsc1CCCC(=O)NCc1cc(O)ccc1O 1558175480 SEDMQBIKMBQZCB-UHFFFAOYSA-N 305.399 3.107 10 10 DGCE C[C@@H](NCC=CCNC(=O)OC(C)(C)C)c1ccc(F)cc1O 1911706473 ZZHVEQKMGFEFSJ-GFCCVEGCSA-N 324.396 3.263 10 10 DGCE CCNc1ccc(Cl)cc1C(=O)NCc1c(O)cccc1O 1639292772 QEKBTFMPKNRLIG-UHFFFAOYSA-N 320.776 3.113 10 10 DGCE C[C@@H](NC(=O)c1cnc(-c2ccccc2)nc1)c1ccccc1O 1642824405 SWDSELVSJPEQSF-CYBMUJFWSA-N 319.364 3.340 10 10 DGCE CO[C@H](C(=O)NCc1c(O)ccc2ccccc12)C1CCCC1 1647794869 RHDJBXBANPMHLU-SFHVURJKSA-N 313.397 3.367 10 10 DGCE CN(CCCN=[N+]=[N-])C(=O)C=Cc1ccc(Br)o1 1912151912 MVPGFRDKZJYEDC-UHFFFAOYSA-N 313.155 3.214 10 10 DGCE Cc1oc(C=O)cc1C(=O)NCc1c(O)ccc2ccccc12 1647794026 ADZMCRMALQORHK-UHFFFAOYSA-N 309.321 3.189 10 10 DGCE Cc1cc(Cl)cc(C(=O)N[C@@H](C)c2ccccc2O)c1N 1587451445 VDPXOVCIPMOCLW-JTQLQIEISA-N 304.777 3.427 10 10 DGCE COc1ccc(CNCCC[C@H](C)NC(=O)C=C(C)C)cc1C 1675847880 PGVSCKRAFUUWLG-INIZCTEOSA-N 318.461 3.344 10 10 DGCE C[C@H](O)CN(Cc1ccccc1)c1ccc(CN)c(Cl)c1 1914663623 KCDFJZPBSCCUJJ-ZDUSSCGKSA-N 304.821 3.186 10 10 DGCE c1csc(Sc2nc3sccn3c2CNC2CC2)n1 104292030 MKRGIGAUCQNARS-UHFFFAOYSA-N 308.457 3.256 10 10 DGCE Cc1cccc(O)c1CN[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 1976875094 DKTWMTALBDYHTG-ZIAGYGMSSA-N 320.433 3.188 10 10 DGCE CC(C)(C)OC(=O)N1CC2(CC2)C[C@@H]1CNc1ccc(N)cc1 1977681036 DZTSHXXSKYPASX-OAHLLOKOSA-N 317.433 3.470 10 10 DGCE C[C@@H]1CN(c2ccc(N)cc2)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 1977931208 FXKVPKHOWFMNJY-ZIAGYGMSSA-N 319.449 3.351 10 10 DGCE CC[C@](N)(CCNC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1977944273 CUMNYFSMQXULAA-SFHVURJKSA-N 321.465 3.231 10 10 DGCE CN(Cc1ccccc1)[C@@H]1CCCN(c2ccc(CN)cc2)C1 1980498234 RUWFEAYXUSKUFM-HXUWFJFHSA-N 309.457 3.246 10 10 DGCE C[C@@H](N)c1ccc(N2CC3(CSC3)C2)cc1C(F)(F)F 2146378611 CWCKCUWUCWGGNI-SECBINFHSA-N 302.365 3.278 10 10 DGCE Nc1ccc(OCCC(=O)OCc2ccc(Cl)s2)cc1 41100791 RGXVYLMMQHLBSB-UHFFFAOYSA-N 311.790 3.496 10 10 DGCE C[C@H](N)c1ccc(N2CCC[C@H]2CF)cc1Br 2004420532 QJMXDNNBTKPUEV-ONGXEEELSA-N 301.203 3.407 10 10 DGCE CCCN[C@@H](C)c1cnc(Sc2n[nH]c(C3CC3)n2)s1 2159808100 UZZWROXNFYZJOA-QMMMGPOBSA-N 309.464 3.350 10 10 DGCE CC(C)CN(c1cc(Cl)c(CN)cc1F)[C@H]1CCOC1 2177386971 FWALLQPGQCIMCV-LBPRGKRZSA-N 300.805 3.189 10 10 DGCE C[C@H]1C[C@@H](CNCc2cc(Cl)cc(Cl)c2O)CN1C 396645127 OFHQNYGWNZDWQQ-UWVGGRQHSA-N 303.233 3.129 10 10 DGCE FC1=CCN(c2ccc(CNC3CC3)c(Br)c2)C1 2046173947 TYZGXJIKCFVAAA-UHFFFAOYSA-N 311.198 3.375 10 10 DGCE O=C(O)C=Cc1ccc(N2CC[C@@H]2CF)c(Br)c1 2063237369 LYJWRIHACBIING-SNVBAGLBSA-N 314.154 3.095 10 10 DGCE CN1CCCc2cc(CNC[C@@]3(Cl)CC3(F)F)ccc21 2205573382 NVVLFMQYBRBMOR-AWEZNQCLSA-N 300.780 3.175 10 10 DGCE CC(C)N[C@](CSc1nccs1)(CC1(C)CC1)C(=O)O 2207942080 PFYMDBQLFYBSKK-AWEZNQCLSA-N 314.476 3.247 10 10 DGCE CCC[C@@H]1CN(c2ccc(OC)cc2Br)CCN1 2221629016 WSAMFZNAZRNOQL-LLVKDONJSA-N 313.239 3.036 10 10 DGCE CN[C@@H](C)c1ccc(N(C)C[C@@]2(F)CCOC2)c(Cl)c1 2238285071 OYYRQWJHKGCJCW-NHYWBVRUSA-N 300.805 3.185 10 10 DGCE C[C@@]1(CNCc2cc(Cl)cc(Cl)c2O)CCC[C@H]1O 2271306354 RMJFOVSQQHIMLQ-OCCSQVGLSA-N 304.217 3.340 10 10 DGCE CC[C@@]1(C)CN(Cc2cnc(SC)s2)[C@@H](C(C)C)CN1 2284676325 HTALJDJKPKMMLG-HIFRSBDPSA-N 313.536 3.464 10 10 DGCE CN1C(=O)C(=Cc2cncc(Br)c2)c2ccccc21 2309266809 GBVGWUVYTWLOBM-UHFFFAOYSA-N 315.170 3.361 10 10 DGCE CCOC(=O)CCN(C)N=Nc1ccc(OC(F)(F)F)cc1 2318775973 RDDYYXYKCMPEBF-UHFFFAOYSA-N 319.283 3.469 10 10 DGCE CCOc1cccc(C=C2SC(=S)N(C(C)C)C2=O)c1O 2323701962 OZSYZWAVODUIQK-UHFFFAOYSA-N 323.439 3.401 10 10 DGCE CCN(CCN=[N+]=[N-])S(=O)(=O)c1cc(Cl)ccc1Cl 2337777001 JIOFPZFNDNFXOX-UHFFFAOYSA-N 323.205 3.314 10 10 DGCE O=C1NC(=O)/C(=C/C(Br)=C/c2ccccc2)S1 106694214 WMXCISXAYFYHAU-LFPVQMOXSA-N 310.172 3.289 10 10 DGCE Cc1cc2cc(N)ccc2n1C(=O)[C@@H](C)Cc1ccc(O)c(O)c1 170024698 JMMFNTCLLMKACT-NSHDSACASA-N 324.380 3.462 10 10 DGCE C[C@H](Cc1ccc(O)cc1)N(C)Cc1cc([N+](=O)[O-])ccc1O 178053141 FCGGWFQQRFPEQO-GFCCVEGCSA-N 316.357 3.069 10 10 DGCE [N-]=[N+]=NCCCCNC(=O)c1sccc1Br 231732830 RRJXKYWPEWSKOS-UHFFFAOYSA-N 303.185 3.331 10 10 DGCE COC(=O)c1[nH]c2ccccc2c1/C=C1\C(=O)Nc2ccccc21 33337186 BVSAPTRTFYFFOR-UVTDQMKNSA-N 318.332 3.447 10 10 DGCE O=C1c2ccccc2N[C@@H](c2ccccc2O)N1C[C@H]1CCCO1 70869164 FOJCLPBXRNXUDR-FZKQIMNGSA-N 324.380 3.138 10 10 DGCE CCC1(CC)CN(CC(C)(C)N)c2cc(OC)c(OC)cc2N1 75280725 ZUMUZOKFWARMQW-UHFFFAOYSA-N 321.465 3.232 10 10 DGCE Cc1ccc([C@H](C)NCCOc2ccc3c(c2)OCO3)c(O)c1 185110966 RDVALJOPHTWMFU-ZDUSSCGKSA-N 315.369 3.159 10 10 DGCE CC[C@@H](CSC)N(C)c1ccc(CN)c(Br)c1 228155277 JJDARNDOSVKJFW-NSHDSACASA-N 317.296 3.486 10 10 DGCE CCC1C[C@@H]2C(=O)N(c3cc(Cl)c(N)cc3C)C(=O)[C@H]2C1 229874042 JSQWFWVNFSIQJG-QWRGUYRKSA-N 306.793 3.156 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)c1cc[nH]c1C1CC1 285385368 UTHIGHOHPDEIIY-UHFFFAOYSA-N 310.397 3.407 10 10 DGCE CCOc1cccc(CN2CCOc3cccc(F)c3C2)c1O 802656654 SBUGXSAEUMTDOK-UHFFFAOYSA-N 317.360 3.325 10 10 DGCE C[C@H](C(=O)NCc1cc(Br)ccc1O)c1ccco1 804737536 KORMJYUKPUKWJQ-VIFPVBQESA-N 324.174 3.168 10 10 DGCE C[C@@H]1CC[C@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1O 805866061 FWYCMWWJEYZGMW-RDDDGLTNSA-N 303.189 3.297 10 10 DGCE CN(C)c1ccc(CNC(=O)Nc2ccc(C(F)F)nc2)cc1 824819067 LIVDXETZAMWDDS-UHFFFAOYSA-N 320.343 3.407 10 10 DGCE FCC[C@@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 827270733 DSTAUCCWBTWOEL-HNNXBMFYSA-N 324.415 3.234 10 10 DGCE O=C(NCc1ccccc1OC1CCC1)c1cc(O)cs1 735704284 WNKMIBSBLWYBTJ-UHFFFAOYSA-N 303.383 3.315 10 10 DGCE Cn1ccnc1C[C@H](NCc1ccccc1O)c1ccccc1 742388076 KQDBZERHMDTGIV-KRWDZBQOSA-N 307.397 3.199 10 10 DGCE C[C@@H](O)[C@H](NCc1ccc(N(C)C)cc1)c1ccccc1F 846015184 BTCGZRIRCPIUIN-ACJLOTCBSA-N 302.393 3.103 10 10 DGCE Cc1cc(CN2CCC[C@H]([C@@H]3CCCN3)C2)ccc1N(C)C 923327622 DWEFTRFJKUNNKB-ROUUACIJSA-N 301.478 3.025 10 10 DGCE COC(=O)/C=C\c1ccc(N2C[C@H]3CC[C@@H](C3)C2)c([N+](=O)[O-])c1 853962943 UOPUQQLGBPPDMC-XVMAMZMSSA-N 316.357 3.017 10 10 DGCE COc1ccc(N2CC[C@H](NCc3csc(C)c3)C2)cc1 850346302 DUBDYJMESHQRRJ-HNNXBMFYSA-N 302.443 3.434 10 10 DGCE CC[C@](C)(NCc1ccc(N2CCOCC2)c(F)c1)C1CC1 850383526 GSABYNUMHBDZMQ-SFHVURJKSA-N 306.425 3.331 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)c3ccc(C)cc3)C2)cc1 855234513 CBBWFKKGVIRDIY-MRXNPFEDSA-N 310.397 3.012 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@H](C)C3(OC)CCCC3)C2)cc1 850486717 JOCFBVAARFBPIT-HZPDHXFCSA-N 318.461 3.211 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@@H](C)O[C@@H]1C 864949035 FQQBWSMWJAPWHE-IIDMSEBBSA-N 318.461 3.303 10 10 DGCE CC(C)CCSCC(=O)NCc1ccc2cccnc2c1O 862027980 LTAJWJAKZKGQRO-UHFFFAOYSA-N 318.442 3.336 10 10 DGCE COc1cc(N(C)CCCOC(F)(F)F)cc(OC)c1OC 878128707 GOMYGROITIJHSF-UHFFFAOYSA-N 323.311 3.075 10 10 DGCE C[C@@H]1O[C@H](C)CN(Cc2cc(Br)ccc2O)[C@H]1C 783738884 YHKIJZVYMDOLOE-VWYCJHECSA-N 314.223 3.152 10 10 DGCE CCCCOCCCNC(=O)c1cc2cc(O)c(O)cc2s1 895518057 GFMPAYSAIZSYIR-UHFFFAOYSA-N 323.414 3.249 10 10 DGCE Cc1cccc(F)c1CNC(=O)c1ccc(N=NC(N)=O)cc1 1136972542 QLFJFEKVDRPMRM-UHFFFAOYSA-N 314.320 3.227 10 10 DGCE CCCCn1nccc1NC(=O)c1ccc(N=NC(N)=O)cc1 1136475576 KRVFPVHXVCBUPL-UHFFFAOYSA-N 314.349 3.098 10 10 DGCE CCc1cc(C(=O)NCc2ccc3cccnc3c2O)ccc1O 1142730838 FNDGJNDHYXHAIP-UHFFFAOYSA-N 322.364 3.138 10 10 DGCE CC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)c1ccc(N(C)C)cc1 1959567711 KMXCAGWISKROMG-GJZGRUSLSA-N 308.422 3.089 10 10 DGCE Cc1cc(C)c2cc(C(=O)NCc3ccc(O)cc3O)[nH]c2c1 1162279302 ZVBAILCJXYMWEF-UHFFFAOYSA-N 310.353 3.126 10 10 DGCE CCOCc1cc(CN[C@@H]2C[C@H]3[C@@H](C2)C3(F)F)ccc1OC 1328063483 YRNVNBHGROUEEO-QDMKHBRRSA-N 311.372 3.365 10 10 DGCE OC1(C2(CNCc3ccc(N4CCCC4)cc3)CCC2)CCC1 1333683936 XRCJCBSVYNZNCQ-UHFFFAOYSA-N 314.473 3.462 10 10 DGCE COc1cc(C)cc(CN[C@@H](C)[C@@](C)(O)c2ccccc2)c1O 1262111768 PDBBFPSFTDYLKE-IFXJQAMLSA-N 315.413 3.095 10 10 DGCE O=C(Nc1nc2ccc(Cl)nc2s1)c1cccc(O)c1O 1448686018 UFNACESKIHUOGD-UHFFFAOYSA-N 321.745 3.008 10 10 DGCE CC[C@H]1CCCCN1c1ccc(CNCCOC)cc1OC 212650338 JRRAAZOWWVTNAC-INIZCTEOSA-N 306.450 3.200 10 10 DGCE CC(C)n1nccc1NC(=O)c1cc2cc(O)c(O)cc2s1 1539408647 XLBGDTVVXXQRLJ-UHFFFAOYSA-N 317.370 3.342 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN(Cc2ncc(Br)s2)C1 1912153034 ZKXROZDZMANZNZ-MRVPVSSYSA-N 316.228 3.428 10 10 DGCE O=Cc1cc(C(=O)NCc2c(O)ccc3ccccc23)ccc1F 1652708862 OGSUTOCLDHDFLQ-UHFFFAOYSA-N 323.323 3.427 10 10 DGCE CSc1ccc([C@H](C)NC(=O)c2c(F)ccc(O)c2O)cc1 1654523216 NRUMNQSWHDEZKV-VIFPVBQESA-N 321.373 3.450 10 10 DGCE C[C@H](NC(=O)NC[C@H]1C[C@H]2C=C[C@H]1CC2)c1ccccc1O 1683283682 LJTCDCJOOHSKSB-ZQDZILKHSA-N 300.402 3.355 10 10 DGCE CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1N 5114664 YOVXTCPXRNWWRF-UHFFFAOYSA-N 322.449 3.463 10 10 DGCE C[C@@H](N)c1ccc(N2CC[C@]3(O)CCCC[C@@H]3C2)c(Cl)c1 160491784 QCYSPHKLACSKSJ-SUYBPPKGSA-N 308.853 3.491 10 10 DGCE O=C(O)/C=C/c1ccc(N2CCO[C@@H]3CCC[C@@H]32)c(Cl)c1 164374627 ISYZDERQAZPEQG-SJKUQHEZSA-N 307.777 3.196 10 10 DGCE COCCN1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S 208359056 KEGPIKIGMWOJBC-MDWZMJQESA-N 318.423 3.016 10 10 DGCE COc1ccc(N2CCN(C(=O)C3CCC(C)CC3)CC2)cc1 1866391906 FIFFQLZJBHQXHP-UHFFFAOYSA-N 316.445 3.170 10 10 DGCE CC[C@@](C)(O)CN(Cc1ccccc1)c1ccc(CN)c(F)c1 1915167622 WVPYPMVKCZDVBX-LJQANCHMSA-N 316.420 3.452 10 10 DGCE CC[C@H](NCc1ccn(C)n1)c1cc(Br)ccc1O 213179451 UFEKCMYCGLBZKY-ZDUSSCGKSA-N 324.222 3.129 10 10 DGCE CCOc1cccc(CNCCN(C)Cc2ccccc2)c1O 236929808 PXSGRVMNLHTXJC-UHFFFAOYSA-N 314.429 3.013 10 10 DGCE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1Nc1c(N)cccc1F 1977683478 RCVOMZWCYZSJIG-FZMZJTMJSA-N 323.412 3.465 10 10 DGCE CC[C@@H]([C@@H](O)c1ccc(N(C)C)cc1)N(C)C(=O)OC(C)(C)C 1977940299 XUBKZPTYMMDKLG-HOTGVXAUSA-N 322.449 3.432 10 10 DGCE NC[C@]12CC[C@H]1CCCN2Cc1cc(Cl)cc(Cl)c1O 2145603013 CYSBZDAULHFOFG-IAQYHMDHSA-N 315.244 3.402 10 10 DGCE Oc1cc(Br)ccc1CN[C@@H]1C[C@@H]1C(F)(F)F 1998619597 WVGAPTJMIROPFJ-DTWKUNHWSA-N 310.113 3.195 10 10 DGCE C[C@H]1CCOC[C@@H]1N(C)Cc1c(O)cccc1Br 2035132033 PKDDSNRUPAAIQU-GWCFXTLKSA-N 314.223 3.012 10 10 DGCE C[C@@H]1SC[C@H]([C@H](O)c2ccc3c(c2)CCN3C)S[C@@H]1C 2163063871 TWTCBJCHFDGGIZ-IRHXVLAXSA-N 309.500 3.338 10 10 DGCE CCOc1cc(C=C2SC(=S)N(CC)C2=O)ccc1O 2053466495 PRELBYJLRULZOV-UHFFFAOYSA-N 309.412 3.012 10 10 DGCE CCNCc1cc(F)c(N2CCS[C@@H](C)CC2)c(F)c1 379552127 SCJIFNQINOAXAB-NSHDSACASA-N 300.418 3.406 10 10 DGCE C[C@H]1CCSCCN1c1ccc(CN)cc1Br 385340173 HFPILVSFHPETGE-JTQLQIEISA-N 315.280 3.240 10 10 DGCE CCN[C@@H](C)c1ccc(N2CC(OC(F)F)C2)c(Cl)c1 398868793 AXXYEKIGVQIOMZ-VIFPVBQESA-N 304.768 3.438 10 10 DGCE CCc1nn([C@@H](c2ccc(C)cc2O)C(C)C)c(N)c1C=O 2079124244 IBJKIRNXLORHLA-MRXNPFEDSA-N 301.390 3.100 10 10 DGCE CN(Cc1ccc(N)cc1)CC(C(F)(F)F)C(F)(F)F 2183949652 YMHHKDRLDGOZHA-UHFFFAOYSA-N 300.246 3.441 10 10 DGCE C[C@@H](O)c1ccc(N(C)[C@@]2(C)CCOC2)cc1Br 2055448344 LMSRGWAHZKVXSH-YGRLFVJLSA-N 314.223 3.118 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NC(=O)c1cscc1Br 2213588351 QIMPCADGEUETSV-DTWKUNHWSA-N 315.196 3.472 10 10 DGCE COc1ccc(N2CCN(Cc3ccccc3)[C@@H](C)C2)c(C=O)c1 2214854411 RUPUDJSTGPUYGA-INIZCTEOSA-N 324.424 3.218 10 10 DGCE CCN(CC)CN1C(=O)C(=Cc2ccccc2)SC1=S 2297578529 MXDROEHSBVNPHM-UHFFFAOYSA-N 306.456 3.187 10 10 DGCE Cc1nsc(Br)c1NCc1cccc(O)c1O 2307224388 GLNAQIVOMYCQPI-UHFFFAOYSA-N 315.192 3.237 10 10 DGCE Cc1ccc(CN2CCC[C@@H](F)C2)c(O)c1Br 2307453730 AUMZEXKMXZAZCK-LLVKDONJSA-N 302.187 3.397 10 10 DGCE C(=Cc1ccccc1)CN1CCN(N=Nc2cccnc2)CC1 2330249240 KRCZIUGOZFARLI-UHFFFAOYSA-N 307.401 3.411 10 10 DGCE Nc1cc(Cl)c(NC(=O)c2cccc(O)c2O)c(Cl)c1 2353865602 PSAKLIHXLQMBBJ-UHFFFAOYSA-N 313.140 3.239 10 10 DGCE CCCN1C(=O)/C(=C\c2ccc(N(CC)CC)cc2)NC1=S 15255121 BMQDCHIKVQJGAE-NTCAYCPXSA-N 317.458 3.000 10 10 DGCE Cc1cccc(O)c1NC1=NC(=O)/C(=C\c2cccn2C)S1 39869757 REONSZKJSIOGQX-UKTHLTGXSA-N 313.382 3.122 10 10 DGCE COC(=O)[C@H](NCCCN=[N+]=[N-])c1cc(Cl)cc(Cl)c1 90259701 SXALLCOAFCDZFI-LLVKDONJSA-N 317.176 3.498 10 10 DGCE COc1cc(C)cc(CN2CCc3c(F)cccc3C2)c1O 156971670 JMYSGMOSULGDTR-UHFFFAOYSA-N 301.361 3.407 10 10 DGCE COc1ccc(CNCc2cccc(Cl)c2O)cc1OC 158070202 AOSUKJBPYLTSDA-UHFFFAOYSA-N 307.777 3.353 10 10 DGCE CC[C@H](N)c1cc(Br)c(Br)cc1O 238309719 PIVSGRAKVJBRCG-QMMMGPOBSA-N 309.001 3.327 10 10 DGCE O=S(=O)(CC1CC1)N(Cc1ccccc1O)C1CCCCC1 269708974 NEMSQBOHDBDGAL-UHFFFAOYSA-N 323.458 3.267 10 10 DGCE Nc1ccc(N2CCN(Cc3csc(Cl)c3)C2=O)cc1 379001345 VDYWCIKBIVLSGK-UHFFFAOYSA-N 307.806 3.426 10 10 DGCE CO[C@H](C)CN(C)[C@@H](C)c1cc(Br)ccc1O 379926939 SQHINJSCULZWPX-ZJUUUORDSA-N 302.212 3.182 10 10 DGCE C[C@@H](O)c1ccc(N(C)C(C)(C)CCO)cc1Br 689836381 MDMQGWZKXLRLOE-SNVBAGLBSA-N 316.239 3.100 10 10 DGCE CO[C@@H](CNCc1cccc(Br)c1O)C1CCC1 703031587 WNILSDKMPJLXTJ-ZDUSSCGKSA-N 314.223 3.059 10 10 DGCE O=C(NCc1ccccc1O)c1cscc1C(F)(F)F 717256693 JLOJHRBFSPMYPK-UHFFFAOYSA-N 301.289 3.403 10 10 DGCE O=C(c1cc(O)cs1)N1CCc2[nH]c3ccc(F)cc3c2C1 732269986 XTNDHLKBPDGQAS-UHFFFAOYSA-N 316.357 3.273 10 10 DGCE COc1ccc(-n2c(C)cc(C(=O)Nc3cnoc3)c2C)cc1 749642989 ZWMXZTVTSRGQKA-UHFFFAOYSA-N 311.341 3.343 10 10 DGCE Oc1ccccc1CN(C[C@@H](O)C(F)(F)F)C1CCCC1 763834287 LBNRBBXAJDHYLS-CQSZACIVSA-N 303.324 3.060 10 10 DGCE Cc1cc(C)n([C@H](C)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1 773009110 PDBHXQWPIPKNBW-HUUCEWRRSA-N 314.433 3.004 10 10 DGCE C[C@H](NCCOC(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 776891799 YHGLHDWMKAOFJX-AWEZNQCLSA-N 324.440 3.128 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccnn1C1CCCC1 779509755 HSGHFYBCCRPAQU-VURMDHGXSA-N 313.357 3.061 10 10 DGCE C[C@H](N[C@H]1CCNC[C@H]1C)c1cc(Cl)c(Cl)cc1O 817969235 AAWDAGMUEPNMFB-ZDMBXUJBSA-N 303.233 3.348 10 10 DGCE Cc1cnc(NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)o1 820633212 AREVZXCZMDCZBD-BETUJISGSA-N 319.380 3.348 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCO[C@H](C(F)(F)F)C2)cc1 835025877 MICGULCIEYDTHJ-JZIMQPMSSA-N 314.351 3.029 10 10 DGCE CN(C)c1ccc(/C=C\CNCc2nccc(C(F)F)n2)cc1 835054472 VXKKAAIRXDYRIR-ARJAWSKDSA-N 318.371 3.283 10 10 DGCE CN(C)c1ccc(/C=C\CNCC2(CO)CC3(CCC3)C2)cc1 835054988 UDJIGJSTRGKFNA-HYXAFXHYSA-N 314.473 3.298 10 10 DGCE CCO[C@@H]1C[C@@H](N[C@H](CC)c2ccc(F)cc2O)[C@@H]1SC 842924858 UNRMCLRHGJXXJV-XOUADPBQSA-N 313.438 3.481 10 10 DGCE Cc1ccc(-c2n[nH]cc2CN2CCCc3cc(CN)ccc32)o1 843057640 GHHNTUXPAXKCNT-UHFFFAOYSA-N 322.412 3.390 10 10 DGCE c1cc(N2CCCCC2)ccc1CN1CCC[C@@]2(CCNC2)C1 843123698 NSAXQRWZHXONPF-FQEVSTJZSA-N 313.489 3.252 10 10 DGCE COc1cccc([C@H](C)N[C@H](C2CCOCC2)C2CC2)c1O 846189839 UTVMMAACLSXYJI-SJCJKPOMSA-N 305.418 3.257 10 10 DGCE Cc1nc(CC2CC2)oc1C(=O)NCc1cc(Cl)ccc1O 846474687 ZGDQJEBGMIDQGM-UHFFFAOYSA-N 320.776 3.225 10 10 DGCE Cc1cc(O)c(CN[C@@H]2CCC[C@@H]([S@@](C)=O)C2)c(Cl)c1 850354824 BBZRFHFCORIAGZ-FKANQGBASA-N 315.866 3.133 10 10 DGCE COc1cccc([C@H](C)N[C@H](c2ccccc2)[C@H](C)O)c1O 850585481 YPJLPYVBZVWWOZ-DCGLDWPTSA-N 301.386 3.174 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)c3ccccc3C)C2)cc1 855235096 WZMSYKUMYFRBRO-OAHLLOKOSA-N 310.397 3.012 10 10 DGCE COCC1(C(=O)NCc2ccc(N(C)C)cc2C)CCCCC1 857126339 ALVIVSXQXNHEJG-UHFFFAOYSA-N 318.461 3.274 10 10 DGCE O=C(/C=C\C=C(Cl)Cl)NCc1ccc2cccnc2c1O 1142730732 DORKBEZUCKGZRP-KTAJNNJTSA-N 323.179 3.432 10 10 DGCE CCOc1ccc(N2CCN(CCC(C)(C)OC)CC2)cc1 1209409158 DXZQLDYPUZXUFU-UHFFFAOYSA-N 306.450 3.022 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)N[C@H]1C[C@@H]1c1ccccc1 1227470002 FYAXKJNHFKLTMG-CABCVRRESA-N 316.788 3.401 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)c2ccc3ccn(C)c3c2)c1 1595806243 DPDWJQRQBJXQCY-LBPRGKRZSA-N 324.380 3.384 10 10 DGCE Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)c1ccccc1O 1635793667 BZDWAASOYMJOSU-LLVKDONJSA-N 300.314 3.100 10 10 DGCE CCN(C)c1ccc(CN2Cc3ccccc3NC(=O)[C@@H]2C)cc1 1655029663 HBZXCCORLFMZAN-HNNXBMFYSA-N 323.440 3.486 10 10 DGCE COc1ccc(CNCC[C@H]2[C@H](C)CCCN2C(C)=O)cc1C 1691983274 XADUODWETDRLTP-KDOFPFPSSA-N 318.461 3.130 10 10 DGCE c1ccc(COc2ccc(N3CC[C@H](C4CNC4)C3)cc2)cc1 1899860302 FZNLVDNYEDTLQI-KRWDZBQOSA-N 308.425 3.311 10 10 DGCE C[C@H](C(=O)O)N(Cc1ccccc1)[C@H](C)c1cc(O)ccc1O 1902368385 YFDFAYNBYGKETG-CHWSQXEVSA-N 315.369 3.134 10 10 DGCE [N-]=[N+]=NCC1CCN(Cc2ncccc2Br)CC1 1912157614 SAEONUDAIBKZTH-UHFFFAOYSA-N 310.199 3.366 10 10 DGCE CC[C@H](O)CN(Cc1ccccc1)c1ccc(CNC)cc1C 1915423963 QOOCBHMWCSDXBU-IBGZPJMESA-N 312.457 3.492 10 10 DGCE CN(CCC(F)F)c1cc(Br)c(CN)cc1F 1947496196 NYGUWURBYCCKDN-UHFFFAOYSA-N 311.145 3.138 10 10 DGCE COC(C)(C)[C@H](N)c1cc(NC(=O)OC(C)(C)C)ccc1O 1952169275 DZVHHAPKHAKBGR-CYBMUJFWSA-N 310.394 3.164 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)O)C[C@H]1c1ccccc1O 1952528861 HXGDICLMVSXUTH-YPMHNXCESA-N 321.373 3.165 10 10 DGCE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1Nc1ccccc1N 1959369628 AFBPDNDJYHDMGQ-IUODEOHRSA-N 305.422 3.326 10 10 DGCE CCCNCCN(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 1978853253 KMBAJIKEACQHRK-UHFFFAOYSA-N 321.465 3.147 10 10 DGCE CC(C)(C)OC(=O)N1[C@H]([C@@H](N)c2ccccc2O)[C@H]2CC[C@@H]1C2 1982519056 UJNVEEGFILRYCD-VZAMPYOESA-N 318.417 3.180 10 10 DGCE CN(C(=O)c1cc(Br)cs1)c1ccc(N)cc1 2004903953 DRVCGJQKVXBBTF-UHFFFAOYSA-N 311.204 3.369 10 10 DGCE Cc1ccc(CNCCc2cnn(Cc3ccccc3)c2)c(O)c1 2024814304 HRVCEDUTDQOBTM-UHFFFAOYSA-N 321.424 3.278 10 10 DGCE C[C@@H](N)c1ccc(N2CC3(CC(F)C3)C2)c(Br)c1 2051885221 LPQODYQPWIBTQL-SECBINFHSA-N 313.214 3.407 10 10 DGCE Cc1ccc([C@H](C(C)C)n2nc(C3CC3)c(N)c2N)c(O)c1 2079005245 XWVIJWKHPLLOON-INIZCTEOSA-N 300.406 3.184 10 10 DGCE C[C@@H](c1cc(Br)ccc1O)N(C)CCOC(F)F 2082821262 BYLJWJFOBFGTPZ-QMMMGPOBSA-N 324.165 3.387 10 10 DGCE CCN[C@H](C)c1ccc(N(C)Cc2csnn2)c(Cl)c1 2150279859 GSTMBVYQVFURBR-SNVBAGLBSA-N 310.854 3.498 10 10 DGCE COCC[C@H]1CCCN(c2cc(Cl)c(CN)cc2F)C1 2177385420 MXSNXVWYBOYMOP-LLVKDONJSA-N 300.805 3.191 10 10 DGCE CN(Cc1cc(Cl)cc(Cl)c1O)[C@H]1C[C@H]2CC[C@H]1O2 2228091572 KLYJEIQFPFCQHN-KGYLQXTDSA-N 302.201 3.451 10 10 DGCE Nc1ccc(CC[C@@H](O)c2nc(C(F)(F)F)cs2)cc1 2234782620 AYMYRQRUTRTEPW-SNVBAGLBSA-N 302.321 3.410 10 10 DGCE COCCCN1C(=O)C(=Cc2ccc(C)s2)SC1=S 2296618875 YZDPWOQDWGVCCE-UHFFFAOYSA-N 313.469 3.294 10 10 DGCE CN(C[C@H]1C[C@H](F)C1)c1ccc(CO)cc1Br 2307376427 AHQUAMJCIIJVKG-XYPYZODXSA-N 302.187 3.126 10 10 DGCE Cc1ccc(CNOCC2CCC2)c(O)c1Br 2307479044 DSJZBGXRQPAXJI-UHFFFAOYSA-N 300.196 3.284 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)N[C@H](c1ccccc1)C1CC1 2307982217 TWYZUOLUXKDAPS-LJQANCHMSA-N 309.365 3.379 10 10 DGCE C[C@H](O)CCCN(C)c1ccc([C@@H](C)O)c(Br)c1 2314597572 CXTDENOZDVRBRF-WDEREUQCSA-N 316.239 3.100 10 10 DGCE Nc1ccc(OCCCN2CC[C@@H](SC(F)F)C2)cc1 2365687296 WYTKNIUKBYCNAV-CYBMUJFWSA-N 302.390 3.068 10 10 DGCE COCCCCCN(C)Cc1cc(Cl)cc(OC)c1O 2368688462 YDLDVDOVWANQQZ-UHFFFAOYSA-N 301.814 3.303 10 10 DGCE COc1ccc(O)c([C@@H]2SCC(=O)N2Cc2ccccc2)c1 3196576 ZSKKKNHBNHJVHA-KRWDZBQOSA-N 315.394 3.175 10 10 DGCE C[C@@H](N)c1ccc(N2CCN(CC(F)(F)F)CC2)cc1Cl 78927626 SNJQNRBCNVZHPO-SNVBAGLBSA-N 321.774 3.044 10 10 DGCE C[C@@H]1CCC[C@@H](C)N1Cc1ccc(N2CCCNCC2)cc1 84857338 NUEJMFGZDUBZMB-IAGOWNOFSA-N 301.478 3.249 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@H]1CCCCC[C@H]1O 135658029 KLGKSNQLJOHRLS-QWHCGFSZSA-N 304.217 3.482 10 10 DGCE Cc1ccc(O)c(CN[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)c1 151324619 BHNNHJQUKIIAGJ-QFBILLFUSA-N 310.441 3.453 10 10 DGCE COc1ccc(CNc2cnc(Br)c(C)c2)c(O)c1 228837369 PASCPVVCCFKNDI-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE [N-]=[N+]=NCCCCNS(=O)(=O)c1ccc(Cl)c(Cl)c1 231733863 COFRATZQAYKYTN-UHFFFAOYSA-N 323.205 3.362 10 10 DGCE CCO[C@@H]1C[C@H](N[C@H](C)c2ccccc2O)C12CCOCC2 248636048 KUIMHLMBYZODSV-XOKHGSTOSA-N 305.418 3.017 10 10 DGCE Cc1cccc(CN2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c1O 290280964 ZCOOAEIATGUGRT-ZFWWWQNUSA-N 320.433 3.188 10 10 DGCE C[C@]1(F)CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 296464949 PVQKRIMYKMDBOU-SFHVURJKSA-N 317.408 3.096 10 10 DGCE COCC[C@@H]1CCCCN(Cc2cc(OC)c(OC)cc2O)C1 375105524 NMZWZDPVPWGJCW-AWEZNQCLSA-N 323.433 3.048 10 10 DGCE Oc1ccc(CNCCCCOCc2ccccc2)c(O)c1 390577483 FNSJZMQXXLUMBC-UHFFFAOYSA-N 301.386 3.184 10 10 DGCE C[C@H](N[C@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2)c1ccccc1O 400713911 MYKOOPWPGZSYKG-GMZLATJGSA-N 318.417 3.051 10 10 DGCE Cc1cccc(Br)c1NC(=O)c1cccc(O)c1O 690344205 ANWAHDDZCOUPKC-UHFFFAOYSA-N 322.158 3.421 10 10 DGCE CN(C[C@@H]1C[C@@H]1C1CC1)c1ccc(CO)c(Br)c1 698339734 RGLYGGIXFJTJGM-GXTWGEPZSA-N 310.235 3.424 10 10 DGCE CN1C[C@H](NCc2cc(Cl)cc(Cl)c2O)C(C)(C)C1 722292700 BUACTSDVLFFRAP-LBPRGKRZSA-N 303.233 3.129 10 10 DGCE Oc1cccc(Cl)c1CNC[C@@H]1CC[C@@H](C(F)(F)F)O1 722405556 XIAOXEJJXFKUPU-UFBFGSQYSA-N 309.715 3.245 10 10 DGCE CC1CCN(c2ccc(CNC(=O)NC[C@H]3C[C@H]3C)cc2)CC1 731049975 YWQKSTUXIMJVKI-NVXWUHKLSA-N 315.461 3.378 10 10 DGCE C[C@H](NC(=O)c1cc(O)cs1)[C@@H]1Oc2ccccc2[C@H]1C 752824821 ZUPOJUXKVUSTLM-HFBDOXOYSA-N 303.383 3.137 10 10 DGCE CCCN(Cc1cc(OC)c(C)cc1O)C[C@H]1CCCCO1 768452712 RKPHMEBXBQTBTA-MRXNPFEDSA-N 307.434 3.490 10 10 DGCE Cc1cc(Br)c(O)c(CN(C)[C@H]2CCSC2)c1 781897221 PXSYHRAXGCVRRM-NSHDSACASA-N 316.264 3.400 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)c2nc(C3CC3)oc2C)c1 802781553 ARSSDZHBDSCFDL-VIFPVBQESA-N 316.357 3.066 10 10 DGCE c1cnc2c(=NCc3ccc(N4CCCC4)cc3)cc[nH]c2c1 814822662 XNXKGTWOQWUIHJ-UHFFFAOYSA-N 304.397 3.264 10 10 DGCE COc1cnccc1[C@H](C)NCc1cc(Cl)c(F)cc1O 816586198 CGFCIAKARDJHDP-VIFPVBQESA-N 310.756 3.439 10 10 DGCE Cc1cc(C)c([C@H](C)NCCCNCc2cccnc2)c(O)c1 817941334 SWHQYKGBWYZYOH-INIZCTEOSA-N 313.445 3.235 10 10 DGCE COc1cc(O)c(CN[C@@H]2C[C@]2(F)c2ccccc2)cc1OC 822498234 WSXIQGNXQSXWSW-MSOLQXFVSA-N 317.360 3.136 10 10 DGCE CCN(C/C=C\c1ccc(N(C)C)cc1)C[C@H](O)C(F)(F)F 835046604 TYQBYRFNKUOOLT-YVACAVLKSA-N 316.367 3.011 10 10 DGCE COc1ccc(CNC(=O)[C@H]2CCCC[C@H]2C2CC2)c(O)c1 843874432 KKEDGRZGHNPHIC-HOTGVXAUSA-N 303.402 3.233 10 10 DGCE N=C(NCc1cc(Br)ccc1O)Nc1ccccc1 849050400 PXNYTOKIKDFVOI-UHFFFAOYSA-N 320.190 3.291 10 10 DGCE COc1cc(Br)cc(CN[C@@H]2[C@H]3CCC[C@H]32)c1O 850393747 VVFLKCPQUPZDSH-PJXYFTJBSA-N 312.207 3.051 10 10 DGCE CCC(C)(C)[C@@H](C)NCC(=O)N(C)Cc1ccc(N(C)C)cc1 852355822 JWUZHVWYWUVXIZ-OAHLLOKOSA-N 319.493 3.125 10 10 DGCE COc1ccc(N2CC[C@H](Nc3ccnc(C(C)C)n3)C2)cc1 853759078 ORFGDPFWJSQHNS-AWEZNQCLSA-N 312.417 3.299 10 10 DGCE CCOCc1cc(CN[C@@H]2CCCn3nccc32)ccc1OC 865871785 LQVVWAJIRZXQAY-MRXNPFEDSA-N 315.417 3.053 10 10 DGCE Oc1c(F)cc(F)cc1CN1CCC=C(Br)C1 894653883 AMBYXNHSZFPZKS-UHFFFAOYSA-N 304.134 3.155 10 10 DGCE COc1cc(C)cc(CNC[C@H]2CC23CCSCC3)c1O 895029346 DRQVSINGFDUIIV-CQSZACIVSA-N 307.459 3.332 10 10 DGCE C/C(=C(\F)C(=O)NCc1ccc2cccnc2c1O)C1CC1 911262639 RWMZQOZZVUHQEM-GXDHUFHOSA-N 300.333 3.210 10 10 DGCE CC[C@@H](C)n1nc(NC(=O)N2Cc3cccc(O)c3C2)cc1C 930719042 YFJZOWJRSZMSOZ-LLVKDONJSA-N 314.389 3.416 10 10 DGCE COC(=O)c1cccc(N=Nc2ccc(O)c(C(=O)O)c2)c1 1081393628 LNISFLVHFMYJLO-UHFFFAOYSA-N 300.270 3.292 10 10 DGCE Cc1cc(C)c2c(c1)N(C(=O)/C=C/c1cnccc1C)CCO2 1130699524 GXBVIEVXCZUEJF-SNAWJCMRSA-N 308.381 3.446 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1cnn(C(F)F)c1 1179033277 VBPFZFLCGCTODX-UHFFFAOYSA-N 317.295 3.067 10 10 DGCE Cc1ccc(CN[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c(O)c1 1308667840 GGWIADCZUXLCLO-QFBILLFUSA-N 310.441 3.311 10 10 DGCE O=C(NCc1cccc(Cl)c1O)NC[C@@H]1CC[C@H]2C[C@@H]2C1 1313061734 DSAGPMGUMCSUSK-MDZLAQPJSA-N 308.809 3.281 10 10 DGCE COC(=O)CCCCCNCc1ccc(N2CCCC2)cc1 1324015599 NTACXXMVSPWHOI-UHFFFAOYSA-N 304.434 3.110 10 10 DGCE C[C@@H]1CO[C@@H](C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1 1332723327 GAFBWZVIZLRKDW-MAUKXSAKSA-N 316.445 3.060 10 10 DGCE Cc1ccc(O)c(CN[C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)c1 1335133786 KTXLFLJHMFVEPM-CTYIDZIISA-N 320.433 3.094 10 10 DGCE Cc1ccc(CCCNC(=O)Cc2ccc(O)c(O)c2)c(C)c1 1440643368 FADZSAHPDLLSOC-UHFFFAOYSA-N 313.397 3.006 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCCCC12CCCC2 1450444592 GLQOUSNGFRXRQU-MRXNPFEDSA-N 303.402 3.260 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)N[C@@H](C)C[C@H](C)O)c1 1597435507 LPTNDPUNQMSGSA-BBRMVZONSA-N 314.429 3.292 10 10 DGCE CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCCCCO 1624553906 JNYAIAFAGBVFBD-UHFFFAOYSA-N 318.461 3.188 10 10 DGCE C=CC(=O)Nc1cccc(C(=O)N[C@@H](C)c2ccccc2O)c1 1632254407 AWCFZFDBPSVLBO-LBPRGKRZSA-N 310.353 3.008 10 10 DGCE CCOc1cc(N[C@H](C)c2ccc(N(C)C)cc2)nc(C)n1 1651763644 NJRWZGNDVVOEKO-GFCCVEGCSA-N 300.406 3.423 10 10 DGCE C[C@H](CNC(=O)OC(C)(C)C)NCc1ccc(Cl)cc1O 1658953268 CMXPOQZOOJUGPX-SNVBAGLBSA-N 314.813 3.048 10 10 DGCE COc1ccc(CN[C@H](C)CCNC(=O)CC2(C)CC2)cc1C 1690854501 HUDZTIMKSFXAIG-OAHLLOKOSA-N 318.461 3.178 10 10 DGCE COC[C@H]1CC[C@H](NCc2c(O)cccc2Br)C1 1918623426 CSTPDZLEACHESD-QWRGUYRKSA-N 314.223 3.059 10 10 DGCE Cc1ccc(O)c([C@@H](C)NOCCCNC(=O)OC(C)(C)C)c1 1937012725 QTJZDGNQCGHTAO-CYBMUJFWSA-N 324.421 3.198 10 10 DGCE CN[C@H](c1ccccc1O)[C@@]1(CNC(=O)OC(C)(C)C)C[C@@H]1C 1940040495 BVKCWPYNSULKMF-WBHUJUFNSA-N 320.433 3.204 10 10 DGCE CN[C@H](c1ccccc1O)[C@@H]1CC[C@H]1CNC(=O)OC(C)(C)C 1940089057 YOFXPGDYJZMFGC-ZENOOKHLSA-N 320.433 3.204 10 10 DGCE C[C@@H](NC(=O)OC(C)(C)C)C(F)(F)COc1ccc(N)cc1 1953013173 QXWCEEDDDKMISX-SNVBAGLBSA-N 316.348 3.196 10 10 DGCE Oc1cccc(F)c1CNC1CC(OCc2ccccc2)C1 1958782589 XUMWYAOESQFJOQ-UHFFFAOYSA-N 301.361 3.369 10 10 DGCE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1Nc1ccccc1N 1959369863 BSUJTVTWODKQIB-GXTWGEPZSA-N 305.422 3.326 10 10 DGCE CN(CCCN=[N+]=[N-])C1CCC(NC(=O)OC(C)(C)C)CC1 1962287750 MTAFTUROUXNLIA-UHFFFAOYSA-N 311.430 3.455 10 10 DGCE CC(C)(C)OC(=O)NC1(CNCc2ccc(F)cc2O)CCC1 1964586764 JSMBIIAAZSKAAC-UHFFFAOYSA-N 324.396 3.068 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[C@H]2Nc2c(N)cccc2F)C1 1977664962 RKVDQGREALSLRF-MISXGVKJSA-N 321.396 3.075 10 10 DGCE CN(C)c1ccc([C@@H](O)C(C)(C)CNC(=O)OC(C)(C)C)cc1 1977937663 CUTLDERUTYWVDP-OAHLLOKOSA-N 322.449 3.337 10 10 DGCE C[C@@H](N)c1ccc(N2CC(C(F)(F)F)C2)cc1Br 2034846459 GSUJIDZYIWHBPK-SSDOTTSWSA-N 323.156 3.467 10 10 DGCE CN1CCc2cc([C@H](N)c3ccc(Br)o3)ccc21 2044753139 WBPWXWIKIJQPFN-AWEZNQCLSA-N 307.191 3.083 10 10 DGCE CNCc1ccc(N2CC3CC(F)(C3)C2)c(Br)c1 2045325603 HAVXHNGUDCZNDY-UHFFFAOYSA-N 313.214 3.107 10 10 DGCE CC[C@@H](c1ccc(C)cc1O)n1nc(C(C)C)c(C=O)c1N 2078979756 SBLVFJKHBLSNFK-AWEZNQCLSA-N 301.390 3.415 10 10 DGCE Oc1cccc(Br)c1CNCc1ncc(C2CC2)o1 2104339066 HTUYCXHSTCXFNA-UHFFFAOYSA-N 323.190 3.310 10 10 DGCE COc1cccc(O)c1CNCc1snc(Cl)c1Cl 2110911255 ASYMPNXKQCWBQA-UHFFFAOYSA-N 319.213 3.454 10 10 DGCE CC(C)CNCc1cnc(S[C@H]2CCC[C@@H](O)C2)s1 2133407565 HKYHVILNFRNPSZ-NEPJUHHUSA-N 300.493 3.284 10 10 DGCE CC[C@H](N)Cc1cnc(Sc2ncc3sccn23)s1 2139850142 ITCFSTBWXRWSIA-QMMMGPOBSA-N 310.473 3.283 10 10 DGCE C[C@@H](O)c1ccc(N(C)C2(CO)CCSCC2)c(Cl)c1 2171172830 MHMRUZJUVKCRCC-LLVKDONJSA-N 315.866 3.088 10 10 DGCE Oc1cccc(Cl)c1CNCc1conc1Br 2216771317 XGDCVFIXECZGHS-UHFFFAOYSA-N 317.570 3.086 10 10 DGCE CCOC(=O)c1cnc(Sc2nc3ncccc3o2)s1 2234014750 PALAXGSRYDPFDG-UHFFFAOYSA-N 307.356 3.007 10 10 DGCE C[C@@H](N)c1ccc(N(C)CC2(F)CCOCC2)cc1Cl 2238279772 PUIZIMHPGNJANV-LLVKDONJSA-N 300.805 3.315 10 10 DGCE Oc1ccc(Br)cc1CN[C@@H]1CC2C[C@@H]3C1[C@@H]3C2 2253527218 LODTUMWCTSGJLH-ODQIJDEKSA-N 308.219 3.289 10 10 DGCE C[C@H](c1ccccc1O)N(C)c1nc(=N)[nH]c(Cl)c1Cl 2362902576 CPUJOGZMSFAQRO-SSDOTTSWSA-N 313.188 3.099 10 10 DGCE O=C1N=C(N2CCCCC2)S/C1=C\c1csc([N+](=O)[O-])c1 53105680 QJVFKGGLVJBOSP-POHAHGRESA-N 323.399 3.113 10 10 DGCE CN(C(=O)Nc1ccc(N)cc1)[C@@H]1CCN(Cc2ccccc2)C1 310155935 QDWZZWWCQVKIOK-GOSISDBHSA-N 324.428 3.007 10 10 DGCE O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/C=C/c1ccccc1 33315828 VJGITCDMOMKAQD-NJKRNUQASA-N 324.380 3.037 10 10 DGCE C[C@@H](NCC[C@@H]1CCCCO1)c1ccc(N2CCOCC2)cc1 180265873 QLLIWXYHIGNYNB-APWZRJJASA-N 318.461 3.133 10 10 DGCE Cc1c(C(=O)N(Cc2ccco2)Cc2ccccc2O)ccn1C 192525711 NOTRQFMCYCNXPG-UHFFFAOYSA-N 324.380 3.475 10 10 DGCE C[C@H](NC[C@@]1(C)COc2ccccc2O1)c1cc(F)ccc1O 527929084 GBFGNFZAGPCOGQ-SGTLLEGYSA-N 317.360 3.412 10 10 DGCE C[C@H](NCCCNC(=O)OC(C)(C)C)c1cc(F)ccc1O 185340917 CJURNPFUVAAATA-NSHDSACASA-N 312.385 3.097 10 10 DGCE Cn1nccc1C1=CCN(Cc2cc(Cl)ccc2O)CC1 377706364 YVWWCWIEIGEPKV-UHFFFAOYSA-N 303.793 3.068 10 10 DGCE CC[C@@H](C)[C@@H](C)C(=O)NCc1cc(Br)ccc1O 804739787 SYSCKNROXHQTHF-NXEZZACHSA-N 314.223 3.453 10 10 DGCE CC(=O)C(=O)COC(=O)C1(c2ccc(C(C)C)cc2)CCCC1 808517025 VQFZUYHVQGUGOD-UHFFFAOYSA-N 316.397 3.323 10 10 DGCE CNc1ccc(Nc2ccc(C(N)=O)cc2Br)cc1 702874999 AQZGPONIAHZHLI-UHFFFAOYSA-N 320.190 3.333 10 10 DGCE C[C@H](N[C@H]1CC12CC2)c1ccc(N2CCOCC2)cc1Cl 818356005 HRFABOQRSHFYGV-LRDDRELGSA-N 306.837 3.380 10 10 DGCE Oc1cc2c(cc1CN1CC[C@H](n3cc(Cl)cn3)C1)CCC2 811802363 XGDVQJYHICFYIF-INIZCTEOSA-N 317.820 3.178 10 10 DGCE COC[C@@](C)(O)CCN[C@H](C)c1ccc(N2CCCCC2)cc1 834843749 KGWAXMWHEPOOON-APWZRJJASA-N 320.477 3.115 10 10 DGCE C[C@@H](N[C@@H]1COCC1(C)C)c1cc(Br)ccc1O 834906241 YQBWXXXJQZJRDR-NOZJJQNGSA-N 314.223 3.230 10 10 DGCE Cc1cc(C)c2c(N)c(C(=O)O[C@@H]3COC(C)(C)C3)sc2n1 849659373 HCPRVCWSILGJIM-JTQLQIEISA-N 320.414 3.220 10 10 DGCE CCN(CC)c1ccc(CNC(=O)N2CCCCCO2)cc1F 844965389 RHSVGZPFZWQNQO-UHFFFAOYSA-N 323.412 3.299 10 10 DGCE COc1ccc(N2CC[C@@H](CN[C@H]3CCCC34CC4)C2)cc1 850474259 KXZWEUQQHAUWSA-YJBOKZPZSA-N 300.446 3.444 10 10 DGCE Cc1ccc(O)c([C@H](C)N[C@H]2C[C@@](CN)(c3ccccc3)C2)c1 925886906 MPZDNHQSXJNLAM-RIFZZMRRSA-N 310.441 3.410 10 10 DGCE Cc1nn(C)cc1[C@@H]1CCCN1Cc1cc2c(cc1O)CCC2 759157661 GEDGRDNFGYZBCY-SFHVURJKSA-N 311.429 3.260 10 10 DGCE COc1ccc2c(c1)CCCCN2CCOC1CCOCC1 859219666 FFFSJMKHJOARMT-UHFFFAOYSA-N 305.418 3.034 10 10 DGCE COc1ccc(N2CC[C@H](CN[C@H](C)c3ccns3)C2)cc1 926611508 LYQFWPHCVQGCBK-ZIAGYGMSSA-N 317.458 3.329 10 10 DGCE CCOCc1cc(CNCC[C@H]2CCSC2)ccc1OC 865654723 TVOBFBHCJAPTRB-AWEZNQCLSA-N 309.475 3.465 10 10 DGCE C[C@H](N[C@H](C1CCC1)[C@@H]1CCCO1)c1cc([N+](=O)[O-])ccc1O 866491478 RWRQYOXYVRRDJA-MZPVMMEZSA-N 320.389 3.299 10 10 DGCE COc1cc(C)cc(CNc2ccnn2[C@H](C)C2CC2)c1O 894219762 GLJNNGHCZDEXNM-GFCCVEGCSA-N 301.390 3.489 10 10 DGCE Cc1cnccc1/C=C/C(=O)NCc1cc(Cl)ccc1O 1146232999 OXSKTIPZVQJOPC-GORDUTHDSA-N 302.761 3.079 10 10 DGCE CN[C@H](C[C@@H]1CCN1C(=O)OC(C)(C)C)c1ccccc1O 1960445573 LLDUKNBXGIDYOO-GXTWGEPZSA-N 306.406 3.052 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CN(CCCN=[N+]=[N-])CC12CCC2 1962299409 MUMADNLRDGNCPG-GFCCVEGCSA-N 309.414 3.066 10 10 DGCE C[C@@H](C1CN(C(=O)OC(C)(C)C)C1)N(C)CCCCN=[N+]=[N-] 1962303390 GXPQYRVJUPLHQQ-LBPRGKRZSA-N 311.430 3.264 10 10 DGCE Cc1cc(C)c(CCNC(=O)c2ccc(C)c(O)c2O)c(C)c1 1295416831 PPXMWOWSESVHOA-UHFFFAOYSA-N 313.397 3.304 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)c2cncc(F)c2Cl)c1 1610393173 TUWYQNRUNWNSMC-MRVPVSSYSA-N 324.739 3.079 10 10 DGCE CCC[C@H](OCC)C(=O)NCc1ccc(N(CC)CC)c(F)c1 1616925349 WOYDWHCSHRRCKY-KRWDZBQOSA-N 324.440 3.493 10 10 DGCE CSc1ccc(N(C)C(=O)Cc2ccc(O)c(O)c2)cc1 1627707939 ANTNRBPTTGMONW-UHFFFAOYSA-N 303.383 3.025 10 10 DGCE COc1cc(C(=O)N(C)Cc2ccccc2O)c2ccccc2n1 1622317379 IKCXRBYLYQUCTI-UHFFFAOYSA-N 322.364 3.221 10 10 DGCE O=C(NCc1ccc(O)cc1O)c1ccc(-c2ccccc2)[nH]1 1557084899 SFORQNTVHXGLSG-UHFFFAOYSA-N 308.337 3.023 10 10 DGCE COc1cc2c(c(OC)c1)N(CCCCCCCO)CCC2 1559912030 NMGNENKLDWKEJV-UHFFFAOYSA-N 307.434 3.399 10 10 DGCE COc1csc(C(=O)N(Cc2ccc(N)cc2)C(C)C)c1 161891219 LFIUNKBFSBZCHW-UHFFFAOYSA-N 304.415 3.390 10 10 DGCE Cc1cccc(-n2c(C)cc(C(=O)N[C@@H](C)[C@H](C)CO)c2C)c1 151809763 CAXRNCHGYQCVQM-HIFRSBDPSA-N 314.429 3.149 10 10 DGCE CC[C@H](N[C@H]1CCc2nc(C(C)C)nn2C1)c1ccccc1O 156509206 ALHIBPDEBLLHHK-ZFWWWQNUSA-N 314.433 3.163 10 10 DGCE CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])o1 5544313 XVSDWWSGMIAYKY-ZROIWOOFSA-N 311.297 3.302 10 10 DGCE CCCN1N=C(CC)/C(=C\c2ccc(OCC)c(OC)c2)C1=O 1865669555 QCSLHITZENHKKJ-SDNWHVSQSA-N 316.401 3.496 10 10 DGCE CN(Cc1cnsc1)c1ccc(CO)c(Br)c1 1945144083 NPYHFFMHQODUTJ-UHFFFAOYSA-N 313.220 3.034 10 10 DGCE Cc1ccc([C@@H]2C[C@H](N)CCN2C(=O)OC(C)(C)C)c(O)c1 1952149049 PNTHAZJNKFTOHG-OCCSQVGLSA-N 306.406 3.100 10 10 DGCE COC1(CNCc2cc(Cl)cc(Br)c2O)CC1 1972554755 AJMPOCCTJSYRGZ-UHFFFAOYSA-N 320.614 3.077 10 10 DGCE CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@H](O)c1ccc(N(C)C)cc1 1977937601 COJDRLTZJAIYHT-HOTGVXAUSA-N 322.449 3.335 10 10 DGCE CN(c1cc(Br)c(CN)cc1F)[C@@H]1CC1(C)C 2004423928 XKLWSDUTYIIIBQ-GFCCVEGCSA-N 301.203 3.282 10 10 DGCE C[C@@H]1CN(c2ccc3c(c2)CC[C@H]3N)CCN1Cc1ccccc1 2012693043 WPQUUCIZYWNYCE-IIBYNOLFSA-N 321.468 3.343 10 10 DGCE C[C@H]1CN(c2ccc3c(c2)CC[C@@H]3N)CCN1Cc1ccccc1 2012710497 WPQUUCIZYWNYCE-KKSFZXQISA-N 321.468 3.343 10 10 DGCE CN1CCc2cc([C@@H](N)[C@H]3CCN(Cc4ccccc4)C3)ccc21 2015162529 SEBZJKGHRDQOMH-PZJWPPBQSA-N 321.468 3.201 10 10 DGCE C[C@H]1C[C@H](CN(C)c2cc(Cl)c(CN)cc2F)CCO1 2177381552 OJTXKCPWDWEBGF-WDEREUQCSA-N 300.805 3.189 10 10 DGCE C[C@@H](CNCc1cccc(Br)c1O)[C@@H]1CCCO1 720520228 BQPGTVMORFJWGC-GWCFXTLKSA-N 314.223 3.059 10 10 DGCE Nc1cnn(Cc2cccc(C(F)(F)F)c2O)c1C(F)F 2079026879 KFIKEEOCZJNJCZ-UHFFFAOYSA-N 307.222 3.176 10 10 DGCE Cc1nn(-c2ccc(O)c(O)c2)c(Br)c1C1CC1 2079611393 LJJUUSYUJAMHAI-UHFFFAOYSA-N 309.163 3.232 10 10 DGCE C[C@@H](c1ccccc1O)N(C)C(=O)C1(Br)CCC1 2049231051 YLYVWELACOMYKV-JTQLQIEISA-N 312.207 3.229 10 10 DGCE CC[C@@H](COC(F)F)NCc1cc(Br)ccc1O 2067269381 XNRJSEGHJQIDAV-JTQLQIEISA-N 324.165 3.262 10 10 DGCE O=C1NC(=S)SC1=Cc1cccc(OCC(F)(F)F)c1 2297323261 JSJMWNRMRPSQHG-UHFFFAOYSA-N 319.329 3.117 10 10 DGCE COc1ccc(N(C)C(=O)/C=C/c2ccc(C)nc2)cc1OC 492429827 RZMDFTJFBVBHMM-JXMROGBWSA-N 312.369 3.083 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)NCc1cccc(Cl)c1 2307978906 UYLXYLUZLNAYGJ-UHFFFAOYSA-N 303.745 3.081 10 10 DGCE COc1cc(N=NN2C[C@H](C)O[C@H](C)C2)c(OC)cc1Cl 2330192269 BUNGKWQGNDNHMX-AOOOYVTPSA-N 313.785 3.465 10 10 DGCE Cc1ccc(CNc2ccc(O)nc2)c(O)c1Br 2327618702 MRSAKEJGGFDMMO-UHFFFAOYSA-N 309.163 3.176 10 10 DGCE Cc1ccc(CNCCCCCCO)c(O)c1Br 2327611536 DSXBKNKLPLSMPE-UHFFFAOYSA-N 316.239 3.105 10 10 DGCE CN(C)c1ccc(/C=C2/N=C(CCc3ccccc3)NC2=O)cc1 243313750 LJGLQIOQWMHHJW-UHFFFAOYSA-N 319.408 3.255 10 10 DGCE Nc1cc(Cl)c(N2C(=O)CC3(CCCC3)C2=O)c(Cl)c1 2353865598 PJNPUNOCHYUXJV-UHFFFAOYSA-N 313.184 3.399 10 10 DGCE NC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1O)N2 14473793 QPKZKAAFIFBJDI-LXIYXOSZSA-N 306.365 3.318 10 10 DGCE COc1cc(NCc2ccccc2O)c(Cl)cc1C(=O)O 76262585 FCGJAWDPUIDJJM-UHFFFAOYSA-N 307.733 3.365 10 10 DGCE CN(C(=O)CSc1ccc(Cl)cn1)c1ccc(N)cc1 79424672 RAYWAAWRLUSNPA-UHFFFAOYSA-N 307.806 3.072 10 10 DGCE CN[C@@H]1C(=O)Nc2cc(N3CCCCC[C@@H]3C)c(Cl)cc21 92752412 FSPSLDXNZFWEHI-BONVTDFDSA-N 307.825 3.322 10 10 DGCE CCOc1ccc(O)c(CN2CCOC[C@H]2c2ccc(C)o2)c1 93460044 DRPLYWZTWPHBJV-INIZCTEOSA-N 317.385 3.266 10 10 DGCE Nc1ccc(OCC(=O)OCc2cc(F)ccc2Cl)cc1 125513354 HPFJDXADVCLNRU-UHFFFAOYSA-N 309.724 3.184 10 10 DGCE COc1ccc(O)c(CNC(=O)C(C)(C)c2ccccc2F)c1 151733770 AWOXEIWVUZUSQX-UHFFFAOYSA-N 317.360 3.134 10 10 DGCE Nc1ccc(OCCCn2ccc3sccc3c2=O)cc1 158542047 ZFHODZPKNTVWER-UHFFFAOYSA-N 300.383 3.114 10 10 DGCE CN(C)c1ccc([C@H](N)c2cnc(C(F)(F)F)s2)cc1 234253723 DPYABJJWCLBKDN-NSHDSACASA-N 301.337 3.276 10 10 DGCE CN(Cc1cc(Cl)cc(Cl)c1O)C[C@@H]1CCCCN1 234302523 NEBHAHQYQWWFAO-LBPRGKRZSA-N 303.233 3.273 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 243388247 MKRRZTNMLXVBLL-DMVVEVTLSA-N 317.429 3.217 10 10 DGCE CCCNCc1ccc(N2C[C@@H]3CC[C@@H](O)[C@H]3C2)c(Cl)c1 252860174 JOQJMHPYYBHGBJ-GRDNDAEWSA-N 308.853 3.047 10 10 DGCE O=C(/C=C\c1ccc(Cl)nc1)N1CCOc2ccccc21 255265304 OONPIIFKSPOZTG-VURMDHGXSA-N 300.745 3.174 10 10 DGCE CC[C@H](N[C@@H]1CCCc2nn(C)cc21)c1ccc(F)cc1O 286375777 ALERGCVTZSYCRY-LSDHHAIUSA-N 303.381 3.383 10 10 DGCE C[C@@H]1[C@H](NCc2cccc(F)c2O)CCN1Cc1ccccc1 309911670 SDFTUSDCOLVHOI-RDTXWAMCSA-N 314.404 3.284 10 10 DGCE CN(CCCc1ccc(N)cc1)[C@@H]1CCN(Cc2ccccc2)C1 310461989 YBPWTKRICQEQFG-OAQYLSRUSA-N 323.484 3.408 10 10 DGCE COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CC[C@@H]3C)ccc21 356755923 MYPTZWKHWJOJLB-YVEFUNNKSA-N 314.429 3.433 10 10 DGCE Cc1cn2c(n1)CN(Cc1cc(Cl)cc(Cl)c1O)CC2 359901982 SIRLZVWWIGGKPP-UHFFFAOYSA-N 312.200 3.220 10 10 DGCE Cc1ccc([C@@H](C)NC[C@H](n2cccn2)C(F)(F)F)c(O)c1 527928697 COLVLUOYBNQLDW-RISCZKNCSA-N 313.323 3.351 10 10 DGCE Oc1cc(Br)ccc1CNc1ccc2c(c1)OCO2 691440457 QNSGZBKZRDLWEV-UHFFFAOYSA-N 322.158 3.496 10 10 DGCE Oc1cccc(Br)c1CNc1ccc2c(c1)OCO2 706808467 RKVWCXUGNZCWLE-UHFFFAOYSA-N 322.158 3.496 10 10 DGCE COCC1(N(C)c2ccc([C@H](C)N)cc2Br)CC1 706884864 LRLJCFCBHKRHKW-JTQLQIEISA-N 313.239 3.084 10 10 DGCE Nc1ccc(CNC(=O)c2csc(C(F)(F)F)c2)cc1 718811404 ODLYIDGEZQZQEX-UHFFFAOYSA-N 300.305 3.279 10 10 DGCE Oc1cccc(Cl)c1CNCCOC(F)(F)C(F)(F)F 720267176 DRRYDHVTBRIUDG-UHFFFAOYSA-N 319.657 3.307 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1ccc(COC)o1 727170045 DRSRWRGSDMYXPB-UHFFFAOYSA-N 303.358 3.184 10 10 DGCE CC(C)(C)OC(=O)C[C@@H]1CCCN(Cc2ccccc2O)C1 770505343 QTRDILGUNDVUEJ-AWEZNQCLSA-N 305.418 3.336 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)c1cnc(NC)s1 802658251 PXWZNZSUKJFFGI-UHFFFAOYSA-N 319.430 3.333 10 10 DGCE CCc1nc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(C)o1 803119978 CXBHIOYFPNDEHT-LLVKDONJSA-N 301.390 3.102 10 10 DGCE C[C@H](NC(=O)C[C@H](O)CC(C)(C)C)c1ccc(N(C)C)cc1 813524484 CMXGYZUSZNGPNI-BBRMVZONSA-N 306.450 3.117 10 10 DGCE O=[N+]([O-])c1ccc(O)c(CN[C@@H]2C[C@]2(F)c2ccccc2)c1 818230256 OXLKQMOHEOUWOH-CVEARBPZSA-N 302.305 3.027 10 10 DGCE Oc1c(Br)cccc1CNCCCc1ccccn1 822110663 DMFDOLRWAKKZHW-UHFFFAOYSA-N 321.218 3.272 10 10 DGCE COc1cccc(O)c1CNC1CCC(OC(F)F)CC1 825145206 WZRXZUQXDCYWLF-UHFFFAOYSA-N 301.333 3.041 10 10 DGCE COc1cc(Cl)cc(CN[C@H](c2ccccc2)[C@H](C)O)c1O 827856803 SAIALNOWIMLRSX-ZBEGNZNMSA-N 321.804 3.266 10 10 DGCE C[C@H](N[C@@H](c1ccccc1F)[C@@H](C)O)c1ccc(F)cc1O 846182960 MLNQALDGMLFLKU-WVQJBOLRSA-N 307.340 3.443 10 10 DGCE CCc1cccc(CN[C@@H](C)c2cn(-c3ccccc3)nn2)c1O 848897600 JXXWIMQFZQWALL-AWEZNQCLSA-N 322.412 3.386 10 10 DGCE CC[C@@H](NCC[C@H](COC)OC)c1cc(Cl)ccc1O 850486952 WOXYOHPRDGSTRV-TZMCWYRMSA-N 301.814 3.138 10 10 DGCE CC(C)[C@H](NC(=O)Cc1ccc(N)cc1)c1ccccc1F 851642036 PGFRKTJSZLLNEW-SFHVURJKSA-N 300.377 3.464 10 10 DGCE C[C@H]1COC2(CCCC2)CN1Cc1c(O)ccc2ccncc12 853576681 DVNAFTPVVFQWFV-AWEZNQCLSA-N 312.413 3.474 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)c3ccccc3)C2)cc1 855228080 UXEFZUNJYUBXJQ-NVXWUHKLSA-N 324.424 3.194 10 10 DGCE Cc1ccc(O)c(CNC(=O)Nc2ccnn2[C@@H](C)C2CC2)c1 860966029 FMDCKQKSVULJNO-LBPRGKRZSA-N 314.389 3.190 10 10 DGCE Cc1ccc(N(CC2CC2)C(=O)/C=C\c2cnn(C)c2)cc1F 863598423 SZKZVSBMYPCTMJ-VURMDHGXSA-N 313.376 3.324 10 10 DGCE COc1ccc(CNC[C@H](CC(=O)O)C2CCCC2)cc1C 864523538 KRAJSMYMMNBWAX-INIZCTEOSA-N 305.418 3.374 10 10 DGCE C[C@@]1(CC(=O)N2Cc3cccc(O)c3C2)CC1(Cl)Cl 871206208 WDABLGIZYTULMY-CYBMUJFWSA-N 300.185 3.208 10 10 DGCE COc1ccc(CNC[C@@H]2CC[C@]3(CO[C@H](C)[C@H]3C)O2)cc1C 886340932 NHNKGEKVRGSDAW-IIHSZXCVSA-N 319.445 3.066 10 10 DGCE CC[C@@H](C)[C@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)OC 897880241 KPKRGSJSBMWFBR-RNCFNFMXSA-N 323.414 3.103 10 10 DGCE C[C@H](NCc1ccc(N(C)C)c(F)c1)c1cn2c(n1)CCCC2 924863466 YATSZWRFRFWPFK-ZDUSSCGKSA-N 316.424 3.275 10 10 DGCE C[C@H](N[C@H]1C[C@@H]2OC(C)(C)O[C@@H]2C1)c1cc(F)cc(F)c1O 927053127 ALPARMHFODZQRJ-UVJIQFMESA-N 313.344 3.004 10 10 DGCE O=C(NCc1c(O)cccc1F)N[C@H]1CCSC2(CCC2)C1 927285617 KJELPCHYYOPFGR-NSHDSACASA-N 324.421 3.149 10 10 DGCE CC[C@@H](C)n1nccc1C(=O)NCc1cccc(Cl)c1O 1124070997 VBHQVLBKIOTMLL-SNVBAGLBSA-N 307.781 3.143 10 10 DGCE CCOc1ccc(N2CCN(C[C@@H]3CCC(C)(C)O3)CC2)cc1 1168331955 SZJAWNYVKIBQBR-SFHVURJKSA-N 318.461 3.165 10 10 DGCE Cc1cc(F)c(C(=O)NCc2ccc(N(C)C)c(F)c2)c(F)c1 1528620152 SPDLLDZNVSVFCH-UHFFFAOYSA-N 322.330 3.408 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCC(C)(C)CO)c1 1545906922 SCJJKHVETRGEAJ-UHFFFAOYSA-N 314.429 3.151 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)Nc1cccc2ccc(O)cc12 1636857318 GMLSIIQSYGRARV-UHFFFAOYSA-N 309.321 3.138 10 10 DGCE CC(=O)c1cc(Cl)cc(CN(C)CCN2CCCCC2)c1O 1643637481 UMUWGHWROUORLM-UHFFFAOYSA-N 324.852 3.166 10 10 DGCE O=C(CCn1c2c(c3ccccc31)CCCC2)Nc1ncc[nH]1 1850095880 AIDPYANARIMPSA-UHFFFAOYSA-N 308.385 3.272 10 10 DGCE Nc1ccc(CC(=O)NCc2ccc(-c3nccs3)cc2)cc1 1865957020 PGPKBIUCMMZDIP-UHFFFAOYSA-N 323.421 3.251 10 10 DGCE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)NC1CCCC1 1890399070 HWPTZZMNLTVJCH-YJBOKZPZSA-N 313.445 3.417 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN(Cc2ncccc2Br)C1 1912150417 SPXVAZLEVBZIIZ-JTQLQIEISA-N 310.199 3.366 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@]1(C)[C@H](N)c1ccccc1O 1928472829 UWYLSKIXMBGZSB-PBHICJAKSA-N 306.406 3.182 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]([C@H](N)c1ccccc1O)C1(C)CC1 1930444374 MDBPJBCDTLFZDI-KGLIPLIRSA-N 306.406 3.085 10 10 DGCE CC(C)[C@@H]1CCN1c1ccc(CN)c(Br)c1F 1941307299 DDJWLPCKRVWBHH-JTQLQIEISA-N 301.203 3.282 10 10 DGCE CCNCc1ccc(N2CC(SC)C2)cc1Br 1948317333 BNPYYRNLATXDLJ-UHFFFAOYSA-N 315.280 3.110 10 10 DGCE CC(C)(C)OC(=O)N1CCCCC(=O)[C@H]1c1cccc(N)c1O 1953051393 DVUWSLYNNKJRAY-CQSZACIVSA-N 320.389 3.006 10 10 DGCE CC(C)(C)OC(=O)N1CCN(CCN=[N+]=[N-])[C@H](C(C)(C)C)C1 1962304128 LRNRKCOWGKEZMY-LBPRGKRZSA-N 311.430 3.264 10 10 DGCE CO[C@@H]1CCC[C@H](NCc2c(O)cccc2Br)C1 1963468713 XCWZTRKFBUTHQM-WDEREUQCSA-N 314.223 3.202 10 10 DGCE CN[C@H](c1ccc(N(C)C)cc1)C1(NC(=O)OC(C)(C)C)CC1 1977946864 YPHLMATUSDKMSM-OAHLLOKOSA-N 319.449 3.070 10 10 DGCE C[C@H]1CC(F)(F)CN1c1ccc(CN)c(Br)c1F 2052002199 VIRHTFATWTXXJA-ZETCQYMHSA-N 323.156 3.281 10 10 DGCE Cc1ccc(Cn2nc(C(C)C)c(CN)c2C(F)F)c(O)c1 2079005725 OTPKKHMBFLAURZ-UHFFFAOYSA-N 309.360 3.465 10 10 DGCE COc1cccc(CNc2ccc(C)nc2Br)c1O 2125205596 FLVHPDMTHJJXRW-UHFFFAOYSA-N 323.190 3.479 10 10 DGCE Oc1cc(Cl)ccc1CN[C@]1(C(F)(F)F)CCCOC1 2179876198 UJFDRYKIJCFGIQ-GFCCVEGCSA-N 309.715 3.247 10 10 DGCE COc1ccc(N2CCN[C@H](C)[C@H]2C(F)(F)F)cc1Cl 2202997271 JBACUNBXKARCGO-PELKAZGASA-N 308.731 3.078 10 10 DGCE Cc1ccc(C)n1-c1cnn(CCCNC(=O)OC(C)(C)C)c1 2211921313 XYKKJHSBYUDEAQ-UHFFFAOYSA-N 318.421 3.205 10 10 DGCE OCc1ccc(N2CCC[C@H](OCC(F)F)C2)cc1Cl 2279246239 XMDCDLIIVNETCD-LBPRGKRZSA-N 305.752 3.083 10 10 DGCE CCC1=NN2C(=N)C(=Cc3cccc(Cl)c3)C(=O)N=C2S1 2293568254 QBJBIODOCLORCI-UHFFFAOYSA-N 318.789 3.369 10 10 DGCE CC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(C)cc2)SC1=S 2294874655 MLQBCWNRZYEKOJ-NSHDSACASA-N 321.423 3.059 10 10 DGCE CCC1=NN(CC)C(=O)C1=Cc1cc(Br)ccc1O 2332125547 NNDZBIDNJJGKMB-UHFFFAOYSA-N 323.190 3.166 10 10 DGCE CCCN[C@@H]1CCCN(c2cc(Cl)c(OC)cc2OC)C1 71198067 LWAATRLKHRBFHD-GFCCVEGCSA-N 312.841 3.326 10 10 DGCE CN[C@@H](CSc1nccs1)c1ccc(OC)c(OC)c1 81889382 SPFTXWPWINVKHR-NSHDSACASA-N 310.444 3.213 10 10 DGCE COc1cccc(CN2CCO[C@@H](c3ccsc3)C2)c1O 93768497 PBDCDNBAGJEJAN-OAHLLOKOSA-N 305.399 3.036 10 10 DGCE Cc1cc(Br)cc(CN(C)[C@@H]2CCO[C@@H]2C)c1O 160971262 UZLBTBJGLDZCSS-ZWNOBZJWSA-N 314.223 3.072 10 10 DGCE C/C=C/C[C@@H](CO)NC(=O)c1cc(C)n(-c2ccccc2)c1C 187194011 RNCABILLTNNICY-APHBUQMISA-N 312.413 3.151 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC(=O)[C@H](C)C1 193928100 KFOCYWSKUDUARZ-LLVKDONJSA-N 316.426 3.207 10 10 DGCE COc1cc(Cl)cc(CNCCCCN(C)C(C)C)c1O 228672668 ZLLVNZRKJQONCX-UHFFFAOYSA-N 314.857 3.264 10 10 DGCE COc1cc(Cl)cc(CN(C)[C@H]2CCCC[C@@H]2CN)c1O 229104176 XHLUJWWFAWHRRA-RISCZKNCSA-N 312.841 3.004 10 10 DGCE C[C@H]1CCN(Cc2cc(Cl)c(F)cc2O)C[C@H]1n1ccnc1 294434617 XNEGPKNLIXEQKY-XHDPSFHLSA-N 323.799 3.464 10 10 DGCE Nc1ccc(CC(=O)NCc2cc(Cl)sc2Cl)cc1 312691054 CBIUEPRWNLWFJV-UHFFFAOYSA-N 315.225 3.496 10 10 DGCE CN(CCc1ccc(N)cc1)C[C@@H]1CCN(Cc2ccccc2)C1 382771081 LRGUYFHVVLMOCL-FQEVSTJZSA-N 323.484 3.265 10 10 DGCE CC(C)NCc1ccc(N(C)[C@@H](C)C[S@](C)=O)c(Cl)c1 398878585 GGHBPZLUEZIWGX-YUNKPMOVSA-N 316.898 3.041 10 10 DGCE C[C@H](N)c1ccc(N(C)[C@@H]2CCCOC2)cc1Br 401496082 DJOFNVLJCJEPCT-CMPLNLGQSA-N 313.239 3.084 10 10 DGCE C[C@@H]1CCCC[C@@H]1S(=O)(=O)Nc1ccc(O)c(Cl)c1 407404094 FQTDYQREXHHYIM-RNCFNFMXSA-N 303.811 3.366 10 10 DGCE CN(C(=O)/C=C\c1cnccn1)c1cccc(OC(F)(F)F)c1 491480276 VSGUQPUBQYEAFT-WAYWQWQTSA-N 323.274 3.051 10 10 DGCE CC(C)NCc1ccc(N2CC[C@@H](F)C2)c(Br)c1 689826650 JHGHYRCQARJYQQ-GFCCVEGCSA-N 315.230 3.495 10 10 DGCE CCON(C)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C 753356323 XILOMWCVAHIFLG-UHFFFAOYSA-N 315.417 3.230 10 10 DGCE Oc1ccccc1CNCc1ccnn1CCc1ccccc1 756140806 RYUOJIIKAJLZSZ-UHFFFAOYSA-N 307.397 3.121 10 10 DGCE C[C@H](CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccncc1 756633235 GUYPLBAMPLLNGJ-NEPJUHHUSA-N 301.346 3.150 10 10 DGCE CC(C)(C)c1csc(COC(=O)c2cccc(O)c2O)n1 758560672 ISOYANDOXHNLDE-UHFFFAOYSA-N 307.371 3.209 10 10 DGCE Cc1cc(Cl)cc(CN2CCc3ccccc3[C@H]2CO)c1O 775701647 UYTWVLISWUPBHI-QGZVFWFLSA-N 317.816 3.446 10 10 DGCE CO[C@@H](C)[C@@H](C)NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C 812577256 QZXUEPJXVORWJG-CABCVRRESA-N 321.465 3.096 10 10 DGCE CC1CCN(c2ccc(CNC(=O)NCC[C@@H](C)F)cc2)CC1 836289205 FVOGYRHDASLJIF-OAHLLOKOSA-N 321.440 3.470 10 10 DGCE Oc1cc2c(cc1CN1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O)CCC2 840118731 ZSHYCFPTTYLNJP-OTWHNJEPSA-N 315.457 3.396 10 10 DGCE Cc1cc(O)c(CN2CCC[C@H](c3nccn3C)C2)c(Cl)c1 840940932 NUNBQKYRDVURKR-ZDUSSCGKSA-N 319.836 3.467 10 10 DGCE C[C@H]1CC[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)CS1 848520720 JZFNYUCOIDWCKW-DZGCQCFKSA-N 324.465 3.036 10 10 DGCE COC[C@@H](CCN[C@H](C)c1ccc2ccccc2c1O)OC 850485193 CLFACKOGAOQMRM-UKRRQHHQSA-N 303.402 3.248 10 10 DGCE CN(C)c1cc(F)c(CN[C@H](C2CCC2)[C@@H]2CCCO2)cc1F 864053625 XPDMBGJWYGBZGY-ZWKOTPCHSA-N 324.415 3.468 10 10 DGCE CN(C)c1ccc(CN2CCc3nc[nH]c3C23CCC3)cc1F 895068351 VJWFVWALHAHFIV-UHFFFAOYSA-N 314.408 3.052 10 10 DGCE C[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)[C@H]1CCCO1 906434597 SNGQVGRAXXERTH-CRAIPNDOSA-N 316.445 3.108 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)NCC[C@@H]2CC[C@@H]3C[C@@H]23)c1 924387975 NURSYXOBATVTPP-JFILPPLUSA-N 318.417 3.197 10 10 DGCE CC[C@@H]1C[C@H]1NC(=O)N(C)Cc1ccc(N2CCCC2)cc1 1227282250 RLFRLZVTBGYIOV-NVXWUHKLSA-N 301.434 3.227 10 10 DGCE CCN1CC[C@H](N(C)Cc2ccc(N(C)CC)cc2)[C@@H](C)C1 1320876918 UAFNTGMATNLLCN-LPHOPBHVSA-N 303.494 3.305 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)CC1(C(F)(F)F)CC1 1329030853 OASPCCQTGZDURM-UHFFFAOYSA-N 314.351 3.410 10 10 DGCE O=C(NCc1cccc(O)c1O)C1(CCc2ccccc2)CC1 1348048808 XAHPOFMOYPZPRV-UHFFFAOYSA-N 311.381 3.127 10 10 DGCE C[C@H](N[C@H](C)c1ccccc1O)C(=O)c1c[nH]c2ncccc12 1460636474 JHYMFZXPVSFJBN-NEPJUHHUSA-N 309.369 3.191 10 10 DGCE Cn1cnc(/C=C/C(=O)N2CCCc3ccc(Cl)c(F)c32)c1 1525618411 AFVKLSJGUFDHCI-FNORWQNLSA-N 319.767 3.205 10 10 DGCE C/C(=C\c1ccccn1)C(=O)Nc1c(Cl)ccc2nonc12 1586677226 PJONRFGVVBYFNY-CMDGGOBGSA-N 314.732 3.313 10 10 DGCE COc1ccc(N(C)Cc2cc(O)nc(-c3ccccc3)n2)cc1 1619792027 PIMGSOGSPRSUCQ-UHFFFAOYSA-N 321.380 3.494 10 10 DGCE COc1cc(F)ccc1NC(=O)c1ccc(N=NC(N)=O)cc1 1624301523 VSDWSENRSVREBA-UHFFFAOYSA-N 316.292 3.249 10 10 DGCE Cc1ccncc1CNC(=O)c1cc(C)n(-c2ccccn2)c1C 1624689724 KBRCXSFCJFDQIM-UHFFFAOYSA-N 320.396 3.123 10 10 DGCE C[C@@H](CC(=O)NCc1c(O)cccc1F)c1ccc(F)cc1 1635360291 IAGIYSDTSWUHNA-NSHDSACASA-N 305.324 3.480 10 10 DGCE Nc1ccc(Cl)cc1C(=O)NCc1cc(Cl)ccc1O 1639969214 WOVFRKZCBZQRLO-UHFFFAOYSA-N 311.168 3.211 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)[C@@H]1Cc2ccc(F)cc21 1640919852 CIECMNQSZDGXNB-CQSZACIVSA-N 305.736 3.141 10 10 DGCE O=C(NCc1cccc(O)c1O)c1cc2ccc(Cl)cc2[nH]1 1644707971 COCXLMHYNUAZMH-UHFFFAOYSA-N 316.744 3.163 10 10 DGCE O=C(NCc1c(O)cccc1F)NC[C@H]1CC2CCC1CC2 1686863621 RSQHKDAKYHIQCH-WXRRBKDZSA-N 306.381 3.157 10 10 DGCE C[C@H](Oc1ccc(N)cc1)C(=O)Nc1ccc(F)c(F)c1F 1860077668 CHPOOMLGHMHAKA-QMMMGPOBSA-N 310.275 3.092 10 10 DGCE CC(C)(C)OC(=O)NCC=CCN[C@@H]1CCc2cccc(O)c21 1911692884 YVLFPTWRVXEHQX-CQSZACIVSA-N 318.417 3.050 10 10 DGCE CO[C@H]1CCN(c2ccc([C@H](C)N)cc2Br)[C@H]1C 1914271593 IUISRWSGKSDPHM-BHDSKKPTSA-N 313.239 3.082 10 10 DGCE CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)NCc1ccccc1O 1936096784 RHTAUNBSRXLZQT-CZUORRHYSA-N 322.449 3.420 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1[C@H](N)c1ccccc1O 1939905163 DKCDSSQKOBAIDY-YXAMBPQSSA-N 318.417 3.038 10 10 DGCE C[C@@H]1OCC[C@@H]1CCNCc1c(O)cccc1Br 1972151669 XRWVKLIUHNMSRS-QWRGUYRKSA-N 314.223 3.059 10 10 DGCE C[C@@H](CCCN)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 1977910474 GESQNXGPUJBEMM-AWEZNQCLSA-N 321.465 3.275 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]2CN(CCCCN=[N+]=[N-])C[C@H]2C1 1982242779 RERDGVKIUNWGOH-KGLIPLIRSA-N 323.441 3.266 10 10 DGCE Cc1ccc(O)c([C@H](C)N[C@H]2CC[C@H]2NC(=O)OC(C)(C)C)c1 1986712700 NDXWIUHFQCLZAA-AEGPPILISA-N 320.433 3.407 10 10 DGCE CCN[C@@H](CSc1nccs1)c1cc(OC)ns1 2028837080 QCHHSIWFBLFDEX-QMMMGPOBSA-N 301.462 3.051 10 10 DGCE CNCc1ccc(N2C[C@H]3CC[C@@]2(F)C3)cc1Br 2030247037 QKXYFWRECZEYLY-HZMBPMFUSA-N 313.214 3.454 10 10 DGCE COc1cccc(C=C2SC(N3CCCCC3)=NC2=O)c1 2040454489 VDJDXEMKWDEIFK-UHFFFAOYSA-N 302.399 3.151 10 10 DGCE Oc1c(F)cc(Br)cc1CNC[C@H]1C[C@H]1C(F)F 2041783536 KNWPDAPHPWEWMT-HZGVNTEJSA-N 324.140 3.285 10 10 DGCE CO[C@H]1CC[C@H](NCc2cccc(Br)c2O)CC1 2042521397 ILYCLIIQAKDDFV-HAQNSBGRSA-N 314.223 3.202 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1cc2c(ccn2C)[nH]1 2064538600 SZNIMFGYRUJEDR-UHFFFAOYSA-N 311.385 3.264 10 10 DGCE Cc1ncnc(C)c1NCc1ccc(Br)cc1O 2067232955 UKPHUWBYFACNLK-UHFFFAOYSA-N 308.179 3.174 10 10 DGCE Cc1ccc(N(C)Cc2ccc(Br)cc2O)cn1 2075992429 REOTTWYNRVJYCQ-UHFFFAOYSA-N 307.191 3.495 10 10 DGCE Cc1cc(O)c([C@H](C)n2nc(C3(C)CC3)c(N)c2N)cc1C 2080008936 WKLPPNWRGJHBQO-NSHDSACASA-N 300.406 3.031 10 10 DGCE Cc1sc(I)c(O)c1Br 2080449317 GQGBGFWFGCWDHL-UHFFFAOYSA-N 318.961 3.129 10 10 DGCE CN1C[C@@H]2CCC[C@H](Nc3c(N)cccc3Br)[C@H]2C1 2094580253 HOZVJSAZKGJBTP-MJVIPROJSA-N 324.266 3.174 10 10 DGCE C[C@H](N)c1ccc(N(C)Cc2cc(Cl)n(C)n2)cc1Cl 2166504570 UAOVDWPFCHKUIL-VIFPVBQESA-N 313.232 3.383 10 10 DGCE Cc1cc(N(C)[C@H]2CS[C@@H](C(F)(F)F)C2)ccc1CN 2189452288 AIJGIBVTEGHJEW-CHWSQXEVSA-N 304.381 3.326 10 10 DGCE C[C@@H](N)c1ccc2c(c1)CCCN2C[C@]1(Cl)CC1(F)F 2205572029 WXSAKTZAEWDVJM-QMTHXVAHSA-N 300.780 3.476 10 10 DGCE CC1(C)[C@H]2C[C@H]1CN(c1ccc(CN)c(Br)c1)C2 2221707377 BCTLZRRZNBNVRR-RYUDHWBXSA-N 309.251 3.390 10 10 DGCE COc1cccc(O)c1CNc1ccc(Br)c(O)c1 2344288933 RMBIHDHHEJRROT-UHFFFAOYSA-N 324.174 3.481 10 10 DGCE Cc1ccc(CN2C[C@H]3CCC[C@H]3C2=O)c(O)c1Br 2352656850 MOJCEFWILNGUSV-ZYHUDNBSSA-N 324.218 3.222 10 10 DGCE C[C@H]1CCC[C@@H](C)N1c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-] 33500549 BBMVJHBNZFRRAM-SBDFBNMLSA-N 304.346 3.460 10 10 DGCE Nc1ccc(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cc1 37018367 SKTLOLSZZAZBAF-UHFFFAOYSA-N 305.721 3.012 10 10 DGCE COC(=O)C[C@@H](N[C@@H](C)c1ccccc1O)c1cccs1 37076611 OYFSFYOIMDGXPI-WCQYABFASA-N 305.399 3.409 10 10 DGCE CCN(Cc1c(Br)c(C)nn1C)c1ccc(N)cc1 89234620 AGVRSGBBTIJFCL-UHFFFAOYSA-N 323.238 3.100 10 10 DGCE CN(CC(=O)c1c[nH]c2ccccc12)c1ccc2c(c1)OCO2 121372101 USKLIRNBBHPXAR-UHFFFAOYSA-N 308.337 3.216 10 10 DGCE Cc1cc(C)c2c(c1)CCN(C(=O)/C=C/c1ccc(O)c(O)c1)C2 190763906 LDMQXWIIBRVSDN-GQCTYLIASA-N 323.392 3.313 10 10 DGCE O=C(O)/C=C\c1ccc(OCCSc2nccs2)cc1 217884568 OPPRXZRIUBHAIS-UTCJRWHESA-N 307.396 3.412 10 10 DGCE COc1ccc(N(C)C(=O)/C=C\c2cnn(C)c2C)cc1Cl 255276869 GSISPJRFGCTIJR-YVMONPNESA-N 319.792 3.067 10 10 DGCE Cc1cccc(CN[C@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)c1O 382474938 GWMLUJDNVPHRRB-GJZGRUSLSA-N 320.433 3.236 10 10 DGCE Nc1ccc(NCCCOCCOCc2ccccc2)cc1 390548806 NVVORNCTWQNZLV-UHFFFAOYSA-N 300.402 3.304 10 10 DGCE C[C@H]1CCN(Cc2ccc(Br)cc2O)C[C@@H](C)O1 691680593 MMITXDZFWDSDAV-WDEREUQCSA-N 314.223 3.154 10 10 DGCE COCCn1c(C)c(C)c2cc(C(=O)OCCSC)ccc21 744336113 JYISRKSUCSWFRU-UHFFFAOYSA-N 321.442 3.424 10 10 DGCE OCCC1(NCc2cc(Cl)cc(F)c2O)CCCCC1 776232747 VDPBLXQAZYWNBE-UHFFFAOYSA-N 301.789 3.360 10 10 DGCE Cc1cc(Br)cc(CN2CCCSCC2)c1O 780893855 UGPNVPHUIVILJE-UHFFFAOYSA-N 316.264 3.402 10 10 DGCE CCOC(=O)CC1(NCc2cc(Cl)ccc2O)CCCC1 789780630 XSGGJDHUJWJPHV-UHFFFAOYSA-N 311.809 3.401 10 10 DGCE COc1ccc(CN[C@H]2CCc3cnn(C(C)C)c3C2)cc1C 790994622 AARQVHNSKXVEOG-KRWDZBQOSA-N 313.445 3.428 10 10 DGCE CCc1nc(C(=O)NCc2c(O)ccc3c2CCCC3)c(C)o1 802784837 HXODLEUPEDXYBB-UHFFFAOYSA-N 314.385 3.060 10 10 DGCE O=C(CCCC1CC1)NCc1cc(Br)ccc1O 812574530 UQNNKOOBDVHMBF-UHFFFAOYSA-N 312.207 3.351 10 10 DGCE CO[C@H]1CC[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 821033046 KAYJMVMIIFIWON-YJBOKZPZSA-N 316.445 3.059 10 10 DGCE COc1cc2c(c(OC)c1)N(C[C@@H]1CCO[C@H](C)C1)CCC2 839656411 KFJXJHAVPAAOPP-ZIAGYGMSSA-N 305.418 3.272 10 10 DGCE COc1ccc(CNCc2c(O)cc(C)cc2Cl)cc1O 840889879 OWZTXAXSLDNDBL-UHFFFAOYSA-N 307.777 3.358 10 10 DGCE Cc1cc(O)c(CN[C@@H](C2CC2)[C@H](CO)C2CC2)c(Cl)c1 840951149 TXLOTSJGEOLQKX-PBHICJAKSA-N 309.837 3.241 10 10 DGCE COc1cc(N(C)C[C@@H](OC)C2CCCC2)cc(OC)c1OC 851783282 LYAMXAVNZBABES-QGZVFWFLSA-N 323.433 3.354 10 10 DGCE Cc1ccc([C@@H](C)N[C@H]2C(=O)N(C)Cc3ccccc32)c(O)c1 857875346 KVWGWWHCVGDWNU-FZKQIMNGSA-N 310.397 3.065 10 10 DGCE c1cc(N2CCCCC2)ccc1CN[C@@H]1[C@@H]2C[C@@H]3[C@@H]1OC[C@@H]3C2 865694634 SZHAKFMKSBXLSL-HNULKUCHSA-N 312.457 3.190 10 10 DGCE CCc1noc(CC)c1CNC(=O)N[C@@H](C)c1ccccc1O 868385299 OVTMBEUUACKAKD-NSHDSACASA-N 317.389 3.065 10 10 DGCE CC(C)(C)c1ccnc(SCC(=O)c2ccc(O)c(O)c2)n1 920057162 FPNWGJDEUFJKGN-UHFFFAOYSA-N 318.398 3.160 10 10 DGCE Cc1ccc([C@H](C)NC[C@]2(C(F)(F)F)CCCN2)c(O)c1 925852754 GHNPVBVFGCRJIM-FZMZJTMJSA-N 302.340 3.036 10 10 DGCE CCO[C@H](CN[C@H](CC)c1cc(Cl)ccc1O)CN(C)C 926959557 JRQQXARSCDCGCF-UKRRQHHQSA-N 314.857 3.053 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)c1cccc(C)c1 930905745 OIBOXQFSHYKEQX-UHFFFAOYSA-N 324.424 3.292 10 10 DGCE COc1ccc(CNC(=O)c2cccc3cc(O)ccc23)c(O)c1 1155575800 YIHAYRZRBCUCGM-UHFFFAOYSA-N 323.348 3.190 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccccc1OCCF 1159083497 DPNYITKUUIZGCE-SOFGYWHQSA-N 317.316 3.098 10 10 DGCE Cc1noc(C2CC2)c1NC(=O)NCc1c(O)cccc1F 1334304739 FJPVEMRNPVFILT-UHFFFAOYSA-N 305.309 3.027 10 10 DGCE Cc1ccnn1-c1ccc(C(=O)N[C@H](C)c2ccccc2O)cc1 1454792371 DDHCJIYBCANTQC-CQSZACIVSA-N 321.380 3.377 10 10 DGCE CN(Cc1cccc(F)c1)C(=O)c1ccc(N=NC(N)=O)cc1 1540258963 UVGOAYMCSNMEQG-UHFFFAOYSA-N 314.320 3.260 10 10 DGCE Cc1c(C(=O)N[C@@H](C)c2ccccc2O)c(=O)oc2ccccc12 1557968225 UZHRZBFFDFBLPD-LBPRGKRZSA-N 323.348 3.298 10 10 DGCE CC(=O)N(C)c1ccc(CNCc2cccc(Cl)c2O)cc1 1658576423 XSSTUHFHSQMMLU-UHFFFAOYSA-N 318.804 3.318 10 10 DGCE CN[C@H](C[C@@H](C)CNC(=O)OC(C)(C)C)c1ccccc1O 1928466758 FTTMHRUZCHPECJ-TZMCWYRMSA-N 308.422 3.204 10 10 DGCE CN(Cc1cc(Br)ccc1O)CC1CC(F)C1 1944070218 ZQANPQXOSNJBCT-UHFFFAOYSA-N 302.187 3.335 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H](OCOc2ccc(N)cc2)C1 1952516750 LSCMBGWLWBNKOD-HNNXBMFYSA-N 322.405 3.021 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CCN(CCCN=[N+]=[N-])C2(CC2)C1 1962304987 PYXLUEINOGCXIL-LBPRGKRZSA-N 309.414 3.209 10 10 DGCE C[C@@H](C[C@@H](O)c1ccc2c(c1)CCN2C)NC(=O)OC(C)(C)C 1977939036 NDHLIZGSVZREEH-BLLLJJGKSA-N 320.433 3.016 10 10 DGCE C[C@H]1C[C@](O)(c2ccc3c(c2)CCN3C)CN1Cc1ccccc1 1999510541 WHKKQCFCBFEXER-HRAATJIYSA-N 322.452 3.161 10 10 DGCE C[C@@H]1C[C@@](O)(c2ccc3c(c2)CCN3C)CN1Cc1ccccc1 1999510542 WHKKQCFCBFEXER-IERDGZPVSA-N 322.452 3.161 10 10 DGCE CCCN(CCOC)c1ccc([C@@H](C)O)c(Br)c1 2036709887 YYSGHSLYGHSTOX-LLVKDONJSA-N 316.239 3.365 10 10 DGCE C[C@H]1CCN(C(=O)C=Cc2cnccn2)c2ccccc2S1 2040817578 GOJILPGCUOYYPJ-ZDUSSCGKSA-N 311.410 3.407 10 10 DGCE CN(c1ccc(CO)cc1Br)[C@@H]1[C@@H]2C[C@H]2[C@H]2C[C@H]21 2047812171 NNBKNPRQKDGQMA-IXRFVVGDSA-N 308.219 3.032 10 10 DGCE Cc1ccc(O)c(Cn2nc(C3CCCC3)cc2C(=O)O)c1 2069926150 CDBQGIPGDMGMEQ-UHFFFAOYSA-N 300.358 3.301 10 10 DGCE CC(C)c1cc(C(=O)N(C)C)n(Cc2cc(Cl)ccc2O)n1 2070091667 KRUOGJXYFPMBJQ-UHFFFAOYSA-N 321.808 3.116 10 10 DGCE CN1C[C@@H]2[C@@H](CCC[C@H]2Nc2c(N)cccc2Br)C1 2094580252 HOZVJSAZKGJBTP-MISXGVKJSA-N 324.266 3.174 10 10 DGCE CP(C)(=O)C1CCN(c2ccc(CO)c(Cl)c2)CC1 2103096639 OSKOSWCZWSHPPU-UHFFFAOYSA-N 301.754 3.424 10 10 DGCE C[C@@H](N)c1ccc(N2CCOC[C@H]2C(F)(F)F)cc1Cl 2150369118 DNIPXLZXEPUNCX-PELKAZGASA-N 308.731 3.127 10 10 DGCE COc1ccc(N2CCC(Br)=C(C)C2)c(CO)c1 2220410308 WEOHFAHAFBNOHO-UHFFFAOYSA-N 312.207 3.067 10 10 DGCE CN(C(=O)CSC1CC(C(F)F)C1)c1ccc(N)cc1 2241041619 LAIKGXDKTYKXRK-UHFFFAOYSA-N 300.374 3.009 10 10 DGCE CSc1ncc(CNCc2cc(F)cc(F)c2O)s1 2269277753 LJBLMEANBYPTIW-UHFFFAOYSA-N 302.371 3.139 10 10 DGCE COc1cc(NCc2cnc(SC)s2)ccc1C(=O)O 2284556717 KQPGHCNCVVHVDC-UHFFFAOYSA-N 310.400 3.184 10 10 DGCE CNc1cccc(NCc2cnc(SC)s2)c1[N+](=O)[O-] 2284721281 KJDGDBUIGATOTG-UHFFFAOYSA-N 310.404 3.427 10 10 DGCE Oc1ccc(Cl)cc1CNCc1coc(C(F)(F)F)n1 2368263393 QSQCTIFXIIJALI-UHFFFAOYSA-N 306.671 3.342 10 10 DGCE CCc1nn(C)cc1/C=C1\SC(Nc2ccccc2)=NC1=O 179724601 WSOGTRJMVVBEKF-ZROIWOOFSA-N 312.398 3.065 10 10 DGCE Cc1ccc(NC(=O)c2ccc(O)c(O)c2)c(Br)c1 235863332 CVUDEJAGOVGXAI-UHFFFAOYSA-N 322.158 3.421 10 10 DGCE COc1ccc(N(C)Cc2c(C)nn(C)c2OC)cc1Cl 180771203 YHALKERKXILMRA-UHFFFAOYSA-N 309.797 3.036 10 10 DGCE Cc1nc(CC(C)C)oc1C(=O)N(C)Cc1ccccc1O 190639783 FUEHRUFMCFTEEQ-UHFFFAOYSA-N 302.374 3.159 10 10 DGCE Cc1ccc(N=Nc2c(O)nn3c(=O)c4c([nH]c23)CCCC4)cc1 334159043 BZLMWYJEFTWWEH-UHFFFAOYSA-N 323.356 3.331 10 10 DGCE Cc1cnc(CNC(=S)Nc2ccccc2[N+](=O)[O-])c(C)c1 243022185 HXZDLVMUKXQZJN-UHFFFAOYSA-N 316.386 3.093 10 10 DGCE COc1cc(Cl)cc(CNC[C@@H]2CCN2C2CCCC2)c1O 529670348 SKIICRDQRVHOSI-HNNXBMFYSA-N 324.852 3.161 10 10 DGCE Cc1cccc(N(C)C(=O)/C=C\c2cnc3ccccc3n2)n1 255496427 KSUILXPISZGOAL-KHPPLWFESA-N 304.353 3.009 10 10 DGCE C[C@H](NCC1(O)Cc2ccccc2C1)c1cc(Cl)ccc1O 363871067 ZRKZCRPWQIMEQT-LBPRGKRZSA-N 317.816 3.226 10 10 DGCE CO[C@@H](C)[C@@H](C)N[C@@H](C)c1cc(Br)ccc1O 290196500 OTKRFVYHYHAMON-UTLUCORTSA-N 302.212 3.229 10 10 DGCE CC(=O)c1cc(F)cc(CN2CC[C@]3(C)[C@@H](C2)C3(F)F)c1O 298225110 GPVJPRPTACTATC-UKRRQHHQSA-N 313.319 3.211 10 10 DGCE Cc1cc(Cl)cc([C@@H](C)NC[C@H](CO)c2cccnc2)c1O 808717178 ATYFXBJVALOUQN-TZMCWYRMSA-N 320.820 3.176 10 10 DGCE CC(C)[C@H]1C[C@H](NCc2cc(Cl)c(F)cc2O)CCO1 293667226 QBZIJEITDBRIDE-IAQYHMDHSA-N 301.789 3.478 10 10 DGCE CC[C@H]1C[C@H](NCc2cc(Cl)cc([N+](=O)[O-])c2O)CCO1 817414486 GEVCVRFAKYFNOR-NEPJUHHUSA-N 314.769 3.001 10 10 DGCE Oc1ccc(Cl)cc1[C@H](CC(F)(F)F)N1CCOCC1 575304287 LBGWLUZKVBVYDH-NSHDSACASA-N 309.715 3.371 10 10 DGCE COC(=O)/C=C/c1ccc(N2CC[C@@H]2C(C)C)c([N+](=O)[O-])c1 829048340 YIUUQQFNBSAACZ-VUDGCMKMSA-N 304.346 3.016 10 10 DGCE COC(=O)/C=C/c1ccc(N(C)[C@H](C)C(C)C)c([N+](=O)[O-])c1 733186971 MJFYKBPYZRANNY-YPUOHESYSA-N 306.362 3.262 10 10 DGCE CCOc1cccc(CNC[C@@H]2CCC3(CCCC3)O2)c1O 848576748 VYLSSKVSWMLQND-HNNXBMFYSA-N 305.418 3.372 10 10 DGCE C[C@@H](NCc1ccc2c(c1)CCCN2C)c1cc2n(n1)CCCC2 842835965 JUJLIYCWLUOWAE-OAHLLOKOSA-N 324.472 3.453 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)OCC23CCC3)c1O 844422781 PFFBMXFDWLWZCL-LLVKDONJSA-N 323.820 3.392 10 10 DGCE C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)CCc2ccccc21 846662014 PLMDHOJOEAYHLJ-LLVKDONJSA-N 315.344 3.039 10 10 DGCE Cc1nc2c(s1)[C@@H](NC(=O)Nc1ccc(N)cc1)CCC2 841296179 PYVPNRZFNYZQIA-ZDUSSCGKSA-N 302.403 3.233 10 10 DGCE C[C@H](NCC[C@@H](N(C)C)C(F)(F)F)c1c(O)cccc1F 926959317 RHONCEPLKLKZMH-JOYOIKCWSA-N 308.319 3.065 10 10 DGCE COc1cccc(CNC(=O)CC2CC(OC(C)(C)C)C2)c1O 754209267 ZVEUILCZNZAYCZ-UHFFFAOYSA-N 321.417 3.001 10 10 DGCE Oc1cccc2c1[C@H](NCC[C@H]1CC[C@@H](C(F)(F)F)O1)CC2 926904084 DODWSEYZSMIHAV-BZPMIXESSA-N 315.335 3.469 10 10 DGCE COc1ccc(N2CC[C@H](N[C@@H]3CCO[C@H](C(C)C)C3)C2)cc1 850346251 DEZZPZLCNHPITG-GJYPPUQNSA-N 318.461 3.067 10 10 DGCE CCN(C)c1ccc(CN2[C@@H](C)CC(C(=O)O)C[C@@H]2C)cc1 863476326 AHHOLXQNJPTZPB-KBPBESRZSA-N 304.434 3.216 10 10 DGCE COc1cccc(CNc2nccn3nc(C4CCC4)cc23)c1O 865502306 JWGKTBTUXJQKHD-UHFFFAOYSA-N 324.384 3.323 10 10 DGCE C[C@H](N[C@H]1C[C@@H](C)O[C@@H]1C)c1cc(Br)ccc1O 866443406 LXGADMPCTDXAMP-COMAGPEQSA-N 314.223 3.371 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCCC3(CCNCC3)C2)cc1 1118243724 ZPDQGLXQTJBOSF-HYXAFXHYSA-N 313.489 3.231 10 10 DGCE Cn1cc(CCC(=O)N2Cc3cccc(O)c3C2)c2ccccc21 871202992 IXCAXWPDNUHCNS-UHFFFAOYSA-N 320.392 3.359 10 10 DGCE Cc1cccc(N)c1N[C@H](C)C1CN(C(=O)OC(C)(C)C)C1 1959366145 SCFIJRCQJHZGQV-GFCCVEGCSA-N 305.422 3.245 10 10 DGCE COc1ccc(N(C)CCN(C)C[C@@H]2CCC3(CCC3)O2)cc1 1307898105 YGIYPVOTLOMOAC-SFHVURJKSA-N 318.461 3.165 10 10 DGCE CCCCCOc1ccc(N2CC[C@@H](CNCCOC)C2)cc1 76359886 VREZKJCYZYRGEU-KRWDZBQOSA-N 320.477 3.318 10 10 DGCE C[C@H](NC(=O)c1ccn(-c2ccccc2)n1)c1ccccc1O 1171730928 SDKPYLNMDGHUBG-ZDUSSCGKSA-N 307.353 3.069 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H]1[C@H](O)c1ccc(N(C)C)cc1 1894532396 ISVHMTQRCVXPFJ-UHOFOFEASA-N 320.433 3.041 10 10 DGCE Oc1c(F)cc(Br)cc1CNCc1cscn1 715789340 PMLQYMQTINYPNC-UHFFFAOYSA-N 317.183 3.040 10 10 DGCE CCCC(=O)N[C@H](CNCc1ccc(OC)c(C)c1)C(C)(C)C 1284561669 DEHQMXNCGJRXDQ-QGZVFWFLSA-N 320.477 3.424 10 10 DGCE CC(C)[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(F)cc1 1296998870 NJAWRUZIGBTBNU-SFHVURJKSA-N 317.360 3.293 10 10 DGCE CO[C@@H](CN1CCOc2cc(N(C)C)ccc21)C1CCCC1 1459875603 MGMRMXHZYOOJGJ-SFHVURJKSA-N 304.434 3.157 10 10 DGCE O=C(O)c1ccc(/N=N/c2ccc(S(=O)(=O)O)cc2)cc1 4097235 IDPOSZGKQSRDFE-CCEZHUSRSA-N 306.299 3.047 10 10 DGCE in-vitro COC(=O)c1cc(OC[C@H]2C[C@H]3CC[C@H]2C3)ccc1N(C)C 1641368609 NSQDUWRTDZFFRY-MELADBBJSA-N 303.402 3.354 10 10 DGCE CCOC(=O)CCN(Cc1ccc(N(C)C)c(C)c1)CC1CC1 1653258125 SMSQRSSLIJNPDP-UHFFFAOYSA-N 318.461 3.226 10 10 DGCE C[C@@H](NC(=O)NC[C@@]12CCC[C@@H]1C2)c1ccc(N(C)C)cc1 1686173137 CDUBUMLUESEMJU-SIIHOXLZSA-N 301.434 3.303 10 10 DGCE CCOC(=O)[C@@H](NCCCN=[N+]=[N-])c1cc(Cl)ccc1F 161186989 YIOSXBLPWHGDJX-LBPRGKRZSA-N 314.748 3.373 10 10 DGCE COc1ccc(OC)c(/C=C2/SC(=S)N(C3CC3)C2=O)c1 1858591383 JDHXQQGNBJOQCV-MDWZMJQESA-N 321.423 3.067 10 10 DGCE CN[C@H](c1ccccc1O)[C@H]1C=C[C@@H](NC(=O)OC(C)(C)C)C1 1894429440 BVPOKIWGXBAWQB-ZENOOKHLSA-N 318.417 3.122 10 10 DGCE Nc1ccc(OCCC(=O)N(Cc2ccccc2)CC2CC2)cc1 1946866506 ZANMPTWDJNEJCP-UHFFFAOYSA-N 324.424 3.477 10 10 DGCE COc1ccc(O)c([C@H]2CC(=O)CCN2C(=O)OC(C)(C)C)c1 1952058933 HIFVXYKICKZGEP-CQSZACIVSA-N 321.373 3.042 10 10 DGCE C[C@@H]1CC(F)(F)CN1c1ccc(CO)c(Br)c1 2004626789 DQTADMCEFDSUOA-MRVPVSSYSA-N 306.150 3.175 10 10 DGCE [N-]=[N+]=NCC1(CNC(=O)c2cccn2Cc2ccccc2)CC1 1982141717 HWPUFPXZRWSLPZ-UHFFFAOYSA-N 309.373 3.357 10 10 DGCE CC(C)(C)OC(=O)NC[C@H]1C[C@H]2CC[C@H]1N2CCCCN=[N+]=[N-] 1982246710 YPOOTIAYOUWLMJ-MGPQQGTHSA-N 323.441 3.455 10 10 DGCE CNCc1ccc(N(C)[C@H](C)C(F)F)c(Br)c1 2009023914 WLSSWSJNJOJBCD-MRVPVSSYSA-N 307.182 3.258 10 10 DGCE C[C@H]1C[C@@]1(F)CN(C)c1ccc(CN)cc1Br 2025729804 JQVJIPHRGAEUJG-TVQRCGJNSA-N 301.203 3.092 10 10 DGCE C[C@@H]1COCC[C@@H]1N(C)Cc1c(O)cccc1Br 2031922438 XLBZVLSMGJPIBP-MFKMUULPSA-N 314.223 3.012 10 10 DGCE CNCc1ccc(N(C)C2[C@@H]3CCC[C@@H]23)c(Br)c1 2033873209 DWQPVDFITQHUEP-VXGBXAGGSA-N 309.251 3.403 10 10 DGCE CNCc1ccc(N2CCCC[C@H](F)C2)c(Br)c1 2034846940 MTNSPFVZANUXCP-LBPRGKRZSA-N 315.230 3.497 10 10 DGCE CCNCc1ccc(N2CC(CCF)C2)c(Br)c1 2041178795 VEWNALSCJZZKSX-UHFFFAOYSA-N 315.230 3.354 10 10 DGCE C[C@H]1CCN(CCc2ccc(N)cc2)CCN1Cc1ccccc1 382705148 YBGOMFIZVKXQRI-SFHVURJKSA-N 323.484 3.408 10 10 DGCE CCNCc1ccc(N(C)C[C@@H]2OCC[C@H]2F)c(Cl)c1 2179098438 AGFKINWMORFRFF-HIFRSBDPSA-N 300.805 3.013 10 10 DGCE O=C(Nc1ccc(O)c(O)c1)c1ccc(OC2CCCC2)nc1 2063397334 FBSVFUVLZUUMEM-UHFFFAOYSA-N 314.341 3.067 10 10 DGCE COC[C@H]1CN(c2cc(Cl)c(CN)cc2F)CC1(C)C 2177392187 AJDCBIASKXSFJY-LLVKDONJSA-N 300.805 3.047 10 10 DGCE Cc1ccc(Br)c(CN2CCC[C@@H]2CN=[N+]=[N-])n1 2059049558 BXOXEVAXUISFMV-SNVBAGLBSA-N 310.199 3.427 10 10 DGCE N[C@@]1(c2ccccc2O)CCc2cc(Br)ccc2C1 2090038386 WVCRNWIEDKOMCJ-INIZCTEOSA-N 318.214 3.498 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(S(=O)(=O)c2ccsc2Cl)CC1 2099339347 QOFDOGCMZUDEGY-QMMMGPOBSA-N 320.827 3.255 10 10 DGCE COc1ccc(Br)c(CNCC[C@H]2C[C@H]2C)c1O 2220462762 QMERBUVZYFRIPF-ZJUUUORDSA-N 314.223 3.299 10 10 DGCE CC1(C)[C@H]2C[C@H]1CN(c1ccc(CO)cc1Br)C2 2221709036 LAXYQGOCNJXGHL-RYUDHWBXSA-N 310.235 3.424 10 10 DGCE CC(C)c1nc(Sc2ncc(CNC3CCC3)s2)n[nH]1 2240012963 UJICNCMVTQIIMH-UHFFFAOYSA-N 309.464 3.178 10 10 DGCE CSc1ncc(CNc2snc(N)c2OC(C)C)s1 2269280576 OBIXFLIRNSDUNE-UHFFFAOYSA-N 316.477 3.303 10 10 DGCE CC[C@@H](C(=O)O)N1C(=O)C(=Cc2cccc(C)c2)SC1=S 2293223787 NZNCPQMVKMWZBQ-NSHDSACASA-N 321.423 3.059 10 10 DGCE Cc1ccc(C[C@H](C)NC(=O)C=Cc2ccc(O)c(O)c2)s1 2307987749 HVKCYHHRFSTIFN-NSHDSACASA-N 317.410 3.228 10 10 DGCE O=C(C=Cc1ccc(O)c(O)c1)NC1(c2ccccc2F)CC1 2307987897 SERGCCLQTRMLNX-UHFFFAOYSA-N 313.328 3.056 10 10 DGCE C[C@H](O)c1ccc(N2C[C@@H]3C[C@H]2[C@@H]2C[C@H]32)c(Br)c1 2308716381 QBRVUQDYADKYDW-CDIFYPATSA-N 308.219 3.347 10 10 DGCE [N-]=[N+]=NCCCCNC(=O)c1cc(Br)ccc1F 231732457 UBPPEPRSZGGGDO-UHFFFAOYSA-N 315.146 3.409 10 10 DGCE Cc1cc(Cl)ccc1NC(=O)[C@@]12CC[C@@H](C(=O)C1=O)C2(C)C 101103791 FJFWGLZNRXHKPK-APPDUMDISA-N 319.788 3.161 10 10 DGCE CN(C)c1ccc(CNC(=O)[C@@H](O)C2CCCCCCC2)cc1 1440649740 XHGAURYCSQWMQA-SFHVURJKSA-N 318.461 3.090 10 10 DGCE CC(C)N(Cc1ccc(N)cc1)S(=O)(=O)C1CCCCC1 38137114 LRGKQXZBVZLYHD-UHFFFAOYSA-N 310.463 3.142 10 10 DGCE COc1ccc(CNC2CC2)cc1CSc1cnccn1 81885878 UDHGKLSJIOCMIE-UHFFFAOYSA-N 301.415 3.030 10 10 DGCE CSC[C@@H](C)NCc1cc(C)cc(Br)c1O 134750502 KOZVZLIKTWGVRI-SECBINFHSA-N 304.253 3.304 10 10 DGCE C[C@H](CCN[C@H](C)c1c(O)cccc1O)NC(=O)OC(C)(C)C 235443817 JZOICSCFLOAAFK-VXGBXAGGSA-N 324.421 3.052 10 10 DGCE Nc1ccc(OC[C@@H](O)CSc2ccccc2Cl)cc1 51328287 QGMLFBAJSCDMKP-GFCCVEGCSA-N 309.818 3.454 10 10 DGCE COc1ccc([C@H](C)NCc2cc3c(cc2O)OCO3)cc1F 237317300 LAJJGIHIHHKJQE-JTQLQIEISA-N 319.332 3.119 10 10 DGCE c1cc2c(cc1CNC[C@@H]1CCN1C1CCCCC1)CCO2 527751122 HJVAWGOFLYIULC-SFHVURJKSA-N 300.446 3.118 10 10 DGCE CO[C@@H]1CC(F)(F)CC[C@H]1NCc1c(O)cccc1Cl 2162093941 PHONYDHUSJPODQ-DGCLKSJQSA-N 305.752 3.338 10 10 DGCE COc1cccc2c1N(C(=O)/C=C\c1cccnc1C)CCC2 822984974 QXWOHQRWOGENDS-KHPPLWFESA-N 308.381 3.391 10 10 DGCE CN(C)c1ccc(/C=C/CNCc2ccc3c(c2)OCCO3)cc1 835034271 RWEHDGSFOFPUNO-ONEGZZNKSA-N 324.424 3.327 10 10 DGCE CN(C)c1ccc(CNC(=O)[C@@H]2C[C@]2(F)c2ccccc2)cc1 839469544 LEHUDWXZPWXQJF-HKUYNNGSSA-N 312.388 3.254 10 10 DGCE CC[C@@H]1CN(CC)CCN1C/C=C\c1ccc(N(C)C)cc1 835054957 OMMYGPAUZARBMF-JTHGQSKGSA-N 301.478 3.182 10 10 DGCE Oc1ccc(Cl)cc1CNc1ncnc2c1ncn2C1CC1 845709239 PDLPGPYHKPTHDT-UHFFFAOYSA-N 315.764 3.132 10 10 DGCE CO[C@@H](C)c1cccc(NC(=O)NCCc2ccc(N)cc2)c1 841099110 CXTHGCOQYKXJBP-ZDUSSCGKSA-N 313.401 3.340 10 10 DGCE CCc1cccc(CN2C[C@@H](C(F)(F)F)OC[C@H]2C)c1O 848910152 HJLYIEHNGQMZRY-MFKMUULPSA-N 303.324 3.106 10 10 DGCE CCc1noc([C@@H]2CC[C@@H](N[C@H](C)c3ccccc3O)C2)n1 927050912 VSGSEMHXCOOTQY-JHJVBQTASA-N 301.390 3.325 10 10 DGCE COc1ccc(N2CC[C@@H](N[C@H](C3CCC3)C3CC3)C2)cc1 850485953 DKXLPXHQKIKRST-VQIMIIECSA-N 300.446 3.442 10 10 DGCE CCN(CC)c1ccc(CN[C@@H](C)c2ccnnc2)cc1F 925016435 YUCHAROPNCLANT-ZDUSSCGKSA-N 302.397 3.313 10 10 DGCE COc1ccc(N(Cc2cc(Cl)n(C)n2)CC2CC2)cc1 859323605 BAYURBQBFPDOFB-UHFFFAOYSA-N 305.809 3.499 10 10 DGCE C[C@@H](NC[C@H](CO)c1ccccc1)c1cc(F)cc(F)c1O 756636302 WSCURNSFWAEQOQ-DGCLKSJQSA-N 307.340 3.097 10 10 DGCE C[C@@H](NC(=O)NCC(C)(C)C(F)(F)F)c1ccccc1O 868587332 UOWHRBVDRFHOEX-SECBINFHSA-N 304.312 3.341 10 10 DGCE COC(=O)/C=C\c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 931260814 CXSBTWOCNYSWCO-XYLWRLHESA-N 304.346 3.017 10 10 DGCE CC(=O)N(C)c1cccc(NCc2ccc(F)c(F)c2O)c1 864022155 ACUXPRAQKHPYRF-UHFFFAOYSA-N 306.312 3.265 10 10 DGCE C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N1Cc2cccc(O)c2C1 871198660 MIQYIQBRRFKYMJ-CYBMUJFWSA-N 323.392 3.191 10 10 DGCE CCCCOc1ccccc1NC[C@H](O)C[C@@](C)(O)C1CC1 872210490 BMWRFVTWXGFUIW-CRAIPNDOSA-N 307.434 3.189 10 10 DGCE C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@]12CCCC[C@@H]1C2 870529482 OBOMJVMLZVGSKP-ASJJFVOFSA-N 301.386 3.196 10 10 DGCE Oc1c(Cl)cccc1CNc1cccc(-c2nc[nH]n2)c1 775748616 HUXCQVACZVJFCZ-UHFFFAOYSA-N 300.749 3.443 10 10 DGCE C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CC1(C)C 785437859 ZWLIFBKKEIKCDT-KXBFYZLASA-N 316.489 3.420 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC1(C(F)(F)F)COC1 1882805946 UKVULWBQDQPRAE-UHFFFAOYSA-N 316.106 3.120 10 10 DGCE CCCN(CCC)c1ccc(CNC[C@@H](O)C(F)(F)F)cc1 791000672 VRTLMXNZKOAKBI-OAHLLOKOSA-N 318.383 3.326 10 10 DGCE CC[C@@H](Nc1ccn(C)n1)c1cc(Br)ccc1O 37560997 YUQLMHZRKSVMOC-LLVKDONJSA-N 310.195 3.451 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N(CCCN=[N+]=[N-])C1 1962297854 BAGBQDRZJNPVOG-STQMWFEESA-N 311.430 3.264 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2Cc1ccc(F)cc1F 1168858993 JCLHQDPHKYPZGK-UHFFFAOYSA-N 304.340 3.430 10 10 DGCE COC(=O)c1ccc(/N=N/c2c(C(F)(F)F)n[nH]c2O)cc1 75892279 DESVMBDMFMOIQJ-WUKNDPDISA-N 314.223 3.336 10 10 DGCE C[C@H]1CCCC[C@@H]1NCc1ccc(N2CCCNCC2)cc1 84846302 VZXSHQLAJHMVDA-LPHOPBHVSA-N 301.478 3.155 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1C[C@H]2Nc1c(N)cccc1F 1894517427 SIMHUUKIKDPPCR-HONMWMINSA-N 321.396 3.218 10 10 DGCE C[C@@H]1C[C@@H](C)[C@@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)O1 1353912293 WGKHCEKYUWOIOI-RKVPGOIHSA-N 316.445 3.059 10 10 DGCE O=C(c1ccns1)N(Cc1ccco1)Cc1ccccc1O 1622310936 GSWGXBQOFHOYEA-UHFFFAOYSA-N 314.366 3.284 10 10 DGCE O=C(O)C=Cc1ccc(N2CC[C@@H]3C[C@H]3C2)cc1Br 1911871980 HGZZWFMHMFALAI-NEPJUHHUSA-N 322.202 3.393 10 10 DGCE C[C@@H](C(=O)NCc1c(O)ccc2c1CCCC2)c1ccccn1 1566359498 FLNOTGDFOPICND-CYBMUJFWSA-N 310.397 3.086 10 10 DGCE Cc1nocc1NC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 1644193746 MGXBLTWZUWRMOK-UHFFFAOYSA-N 323.352 3.455 10 10 DGCE CC(C)(C)Oc1cccc(C(=O)NCc2c(O)cccc2O)c1 1647291255 VOAUVRYRCJOIOR-UHFFFAOYSA-N 315.369 3.205 10 10 DGCE CN(C)C[C@H](NCc1cccc(Cl)c1O)c1ccccc1 158083747 TXWHPACFTMNELJ-INIZCTEOSA-N 304.821 3.438 10 10 DGCE Nc1ccc(CCNC(=O)CCOc2ccc(Cl)cc2)cc1 152496674 IKNMRZHLYPJRBA-UHFFFAOYSA-N 318.804 3.050 10 10 DGCE Cc1cccc(-c2ncc(C(=O)O)c(=Nc3ccccc3O)[nH]2)c1 1859848490 DOIJXJWBESNFEX-UHFFFAOYSA-N 321.336 3.021 10 10 DGCE COc1cc2c(cc1OC)N(Cc1ccccc1)[C@H](C)C(=O)N2 1902391130 QIXGPWBCSSDROD-GFCCVEGCSA-N 312.369 3.051 10 10 DGCE C[C@@H]1CCO[C@@H]1CCNCc1cc(Br)ccc1O 1918113169 QUDFFIKXMWYIEJ-QMTHXVAHSA-N 314.223 3.059 10 10 DGCE Oc1c(F)cccc1CN[C@H]1CC[C@@H]1OCc1ccccc1 1934907035 XXQANOKCLXCVEI-IRXDYDNUSA-N 301.361 3.369 10 10 DGCE CN[C@@H](c1ccccc1O)[C@H](NC(=O)OC(C)(C)C)C1(C)CC1 1937586415 YZMDYJPSMHQIHQ-GJZGRUSLSA-N 320.433 3.346 10 10 DGCE CCOCCCCNCc1cccc(Br)c1O 236842892 RNMKHZPMFRLVAL-UHFFFAOYSA-N 302.212 3.061 10 10 DGCE Cc1cc(O)c([C@@H]2C[C@H](N)CCN2C(=O)OC(C)(C)C)cc1C 1952972101 GPXZBAKCIFPOAR-HIFRSBDPSA-N 320.433 3.408 10 10 DGCE CC[C@H]1CC[C@](N)(c2ccccc2O)CN1C(=O)OC(C)(C)C 1975985808 OGIKNDICURAGNZ-SCLBCKFNSA-N 320.433 3.356 10 10 DGCE C[C@@H]1CCN(Cc2ccc(N)cc2)C[C@@H]1NC(=O)OC(C)(C)C 1977920304 HXIVBSRYQDRVEO-CJNGLKHVSA-N 319.449 3.004 10 10 DGCE C[C@H]1N(Cc2ccccc2)CC[C@@]1(O)c1ccc2c(c1)CCN2C 1999511317 DNAQFEPFMUJINY-IERDGZPVSA-N 322.452 3.161 10 10 DGCE Nc1cccc(Br)c1N[C@H]1CCCC[C@H]1CCO 2030113074 KDMYIHWDOXBPRP-GWCFXTLKSA-N 313.239 3.384 10 10 DGCE C[C@@H](O)c1ccc(N2CC3CC2(CF)C3)cc1Br 2030297404 KJGUKGAUGXGHPB-NAUIOFCNSA-N 314.198 3.441 10 10 DGCE COC[C@@H](C)CN(C)c1ccc([C@@H](C)N)c(Br)c1 310913231 DLAPRRKDXRTXTK-WDEREUQCSA-N 315.255 3.188 10 10 DGCE C[C@H]1CSCCN(c2ccc(CN)cc2Br)C1 379509354 NGYZKEJBVJLCKB-SNVBAGLBSA-N 315.280 3.097 10 10 DGCE C[C@H](N)c1ccc(N2C[C@@H](F)C[C@@H](F)C2)c(Br)c1 2062397886 XYKBFMPIHOTFET-INTQDDNPSA-N 319.193 3.355 10 10 DGCE CO[C@H](CN(C)Cc1cccc(Br)c1O)C(C)C 2068248711 HUQRUAPWMBXWPO-CYBMUJFWSA-N 316.239 3.258 10 10 DGCE CO[C@H](CNCc1cc(Cl)cc(Cl)c1O)CSC 2218737142 FJMCZCGDRLQBOX-SNVBAGLBSA-N 310.246 3.167 10 10 DGCE C[C@@H](N)c1ccc(N(C)C[C@H](F)[C@H]2CCOC2)c(Cl)c1 2238325159 YGJUVXKVHXTKFH-OSMZGAPFSA-N 300.805 3.171 10 10 DGCE CCOC(=O)[C@H]1CCCN(CC=Cc2ccc(N(C)C)cc2)C1 2297318180 HFGHBSYUGAGDJJ-KRWDZBQOSA-N 316.445 3.041 10 10 DGCE CN(C)c1ccccc1N(C)C(=O)C=Cc1ccc(Cl)nc1 2304484976 WEISOGQNQYWTOP-UHFFFAOYSA-N 315.804 3.477 10 10 DGCE Cc1ccc2c(c1)[C@@H](NC(=O)C=Cc1ccc(O)c(O)c1)[C@@H](C)C2 2308083252 IPDPTYKAHJUYSC-RBZFPXEDSA-N 323.392 3.469 10 10 DGCE CC[C@@]1(C)CC(=O)N1Cc1ccc(C)c(Br)c1O 2327789058 JBVXEJQALZTARW-AWEZNQCLSA-N 312.207 3.364 10 10 DGCE O=C1N=C(N2CCCC2)S/C1=C/c1cn[nH]c1-c1ccccc1 2427881 SBRVHRFSLWSCHQ-GXDHUFHOSA-N 324.409 3.143 10 10 DGCE Cc1cc(-c2csc(N)n2)c(C)n1-c1ccc(C(=O)O)cc1 6329208 VFQAIJDQMBYWTP-UHFFFAOYSA-N 313.382 3.498 10 10 DGCE CCCCOCCCNC[C@H]1CCN(c2ccc(OC)cc2)C1 76360709 VTPOJWJQXKRHNR-QGZVFWFLSA-N 320.477 3.318 10 10 DGCE CCN[C@@H](C)c1ccc(N2CCN(C3CC3)CC2)cc1Cl 78905574 IIQCCYHAWBAGIR-ZDUSSCGKSA-N 307.869 3.295 10 10 DGCE CC(C)c1nnsc1C(=O)N(C)[C@@H](C)c1ccccc1O 87442370 HIVVBVMZPATGCK-JTQLQIEISA-N 305.403 3.200 10 10 DGCE CC(C)NCc1ccc(N2CCN(C)C(C)(C)C2)c(Cl)c1 164077124 YEJAUQHQRXBQNL-UHFFFAOYSA-N 309.885 3.368 10 10 DGCE CCN(Cc1cncc(Br)c1)c1ccc(N)cc1 167092331 VUNOLRCSHHTFLI-UHFFFAOYSA-N 306.207 3.453 10 10 DGCE C[C@H]1CN(Cc2ccccc2O)C[C@H](c2ccc(F)cc2)O1 179578651 OQWSDWPCDTWDQZ-SCLBCKFNSA-N 301.361 3.493 10 10 DGCE CCCN(Cc1ccccc1O)Cc1nnc(C2CCC2)n1C 181403717 ZQFLJLCHFZCFOK-UHFFFAOYSA-N 314.433 3.200 10 10 DGCE COc1ccc(O)c(CNC(=O)Nc2ccc3cc[nH]c3c2)c1 194288526 SBDOFKGTNRTXEO-UHFFFAOYSA-N 311.341 3.204 10 10 DGCE CO[C@@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2O)CC[C@@H]1C 221137536 KRPAYIRSWIVPTF-ZUZCIYMTSA-N 311.809 3.105 10 10 DGCE CCN[C@H](C)c1ccc(N2C[C@@H](C)[C@@H](N(C)C)C2)cc1Cl 226078218 BHSBINRFUWOUQS-XNJGSVPQSA-N 309.885 3.397 10 10 DGCE CC[C@@H](CN[C@@H](C)c1ccc(O)cc1O)NC(=O)OC(C)(C)C 227715479 BCRNNNDACSXKKO-RYUDHWBXSA-N 324.421 3.052 10 10 DGCE CC[C@@H]1CCN(c2ccc(CN)c(Br)c2F)C1 231840675 QHKCOSAEYDTXAV-SECBINFHSA-N 301.203 3.283 10 10 DGCE CC(=O)N(C(=O)OCCc1ccccc1F)c1ccc(N)cc1 243355192 LXCSYOLDQYRVHW-UHFFFAOYSA-N 316.332 3.140 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H](N)c2ccccc2O)C1 259519646 AEBXONTWFNHPLY-IUODEOHRSA-N 306.406 3.039 10 10 DGCE Nc1ccc(CCCS(=O)(=O)c2ccccc2Cl)cc1 312557033 JUVKYRIVZAOBRL-UHFFFAOYSA-N 309.818 3.329 10 10 DGCE c1ccc([C@H](NCc2ccc3c(c2)CCO3)[C@H]2CCOC2)cc1 374472550 QMYRATIGSGFCOT-ICSRJNTNSA-N 309.409 3.489 10 10 DGCE CCCN(Cc1ccccc1)c1ccc2c(c1)NC(=O)[C@H]2NC 383699410 ASMCFPBHPNKBJI-SFHVURJKSA-N 309.413 3.316 10 10 DGCE CN(CCOCc1ccccc1)c1ccc(/C=C\C(=O)O)cc1 383790236 VMUGXYQIPMFZKX-XFXZXTDPSA-N 311.381 3.437 10 10 DGCE O=C(O)/C=C\c1ccc(N2CC[C@@H](F)C2)c(Br)c1 689860933 CHJGUZYNSYEHRY-WUWIAWFRSA-N 314.154 3.095 10 10 DGCE C[C@@H](Nc1cnn(C)c1Br)c1ccc(N(C)C)cc1 694197191 MUKGMLOIDGLVNQ-SNVBAGLBSA-N 323.238 3.422 10 10 DGCE CN(C[C@H]1C[C@H]1C1CC1)c1ccc(CN)c(Br)c1 698338160 OLVCVLNEZSCXMR-OCCSQVGLSA-N 309.251 3.390 10 10 DGCE CN(C(=O)/C=C\c1ccc(Br)o1)c1ccc(N)cc1 702120879 OXNWVECWKIIEFJ-CLFYSBASSA-N 321.174 3.301 10 10 DGCE Nc1ccc(Oc2ccc(I)cn2)cc1 703886178 KLHABIFIDLPLRX-UHFFFAOYSA-N 312.110 3.061 10 10 DGCE O=C(O)/C=C/c1ccc(N2C[C@@H]3CSC[C@H]3C2)c(Cl)c1 711575975 KJGDFNVBPUWZOT-VNPHXJNISA-N 309.818 3.237 10 10 DGCE CN(Cc1ccc(N2CCOCC2)c(F)c1)C[C@H]1CC=CCC1 753577373 UDELOGYVTMPRAF-INIZCTEOSA-N 318.436 3.450 10 10 DGCE COC(=O)c1nc(NCc2ccc(N(C)C)c(F)c2)sc1C 764807798 VZJVDTLOOGUCGW-UHFFFAOYSA-N 323.393 3.055 10 10 DGCE CCOC(=O)CCC1CCN(Cc2cccc(C)c2O)CC1 775726928 BMAMYRBNVXASJU-UHFFFAOYSA-N 305.418 3.256 10 10 DGCE CC(C)[C@@H]1CCCC[C@@H]1NC(=O)/C=C\c1ccc(O)c(O)c1 779514209 ZNIALPRYGZPPTJ-VOUMOHMSSA-N 303.402 3.442 10 10 DGCE CCCN(CCC)c1ccc(CN[C@@H](C)c2ncnn2C)cc1 788971099 FSBMIKOFBQBWNS-HNNXBMFYSA-N 315.465 3.292 10 10 DGCE CCCN(CCC)c1ccc(CN(CC)[C@@H]2CCNC2=O)cc1 799737895 QBSWSLHNWREMKC-GOSISDBHSA-N 317.477 3.023 10 10 DGCE C[C@@]1(F)CCCN(Cc2cccc(Br)c2O)C1 824472325 QBZCJKPSHYVITM-CYBMUJFWSA-N 302.187 3.479 10 10 DGCE CCCN(Cc1cn(C2CCC2)nn1)Cc1ccccc1O 824649724 HPMCMWQNZNZZFQ-UHFFFAOYSA-N 300.406 3.121 10 10 DGCE CC(C)[C@@H]1CN(C)CCN1C/C=C/c1ccc(N(C)C)cc1 835045562 WKDMWQGBZXBQDL-GHOSXJJBSA-N 301.478 3.038 10 10 DGCE COC(=O)C1(CNC/C=C/c2ccc(N(C)C)cc2)CCCC1 835048292 PSWTYNSMCMRODJ-VOTSOKGWSA-N 316.445 3.089 10 10 DGCE COC(=O)CC(C)(C)C[C@H](C)NCc1ccc(N(C)C)cc1 850422018 CHBRKTLTPFWJCJ-AWEZNQCLSA-N 306.450 3.210 10 10 DGCE C[C@@H](NC[C@]1(c2ccccc2)C[C@H](O)C1)c1ccc(N(C)C)cc1 903276694 PGJXBSGPZRPOEB-MAODMQOUSA-N 324.468 3.496 10 10 DGCE COc1ccc(N2CC[C@H](N[C@@H](C)c3c(C)noc3C)C2)cc1 926680217 KZWOGJUJYHFODS-WFASDCNBSA-N 315.417 3.230 10 10 DGCE CCc1noc([C@@H]2CC[C@@H](N[C@@H](C)c3ccc(F)cc3O)C2)n1 927054128 USHVZNAZUFWTHT-DMDPSCGWSA-N 319.380 3.464 10 10 DGCE CN(Cc1ccccc1O)c1nnc(C2CC2)n1CCC1CC1 1298364267 XARWAYQDLPKMJN-UHFFFAOYSA-N 312.417 3.298 10 10 DGCE C/C(=C/C(=O)NCc1ccc(N(C)C)c(F)c1)c1ccco1 1434914125 FEVWYCFBLUTDJP-XFXZXTDPSA-N 302.349 3.204 10 10 DGCE CCOc1ccc(N2CCN(C(=O)CCC3(C)CC3)CC2)cc1 1446418616 JLKXZBFUYDIWJN-UHFFFAOYSA-N 316.445 3.314 10 10 DGCE COc1ccc(CN[C@@H](CNC(=O)C(C)(C)C)C(C)C)cc1C 1482566770 UNKRQSUAGJWVNO-INIZCTEOSA-N 320.477 3.280 10 10 DGCE COc1ccc(CN[C@](C)(CO)Cc2ccccc2F)cc1C 1560183082 KWCKYLYQCVLGFQ-IBGZPJMESA-N 317.404 3.226 10 10 DGCE O=C(NCc1c(O)cccc1F)c1cc2c(Cl)nccc2o1 1596917075 UXVUOOSVGDBOEK-UHFFFAOYSA-N 320.707 3.256 10 10 DGCE O=C(Nc1nc(CC(F)(F)F)cs1)c1cc(O)cs1 1625123565 NPUHIBRULLEOFZ-UHFFFAOYSA-N 308.306 3.267 10 10 DGCE CCN(CC)c1ccc(CNC(=O)c2cccc3nc[nH]c23)cc1 1626085774 QEIWLYJUEQRUOG-UHFFFAOYSA-N 322.412 3.339 10 10 DGCE CCSc1ccc(CC(=O)NCc2ccc(O)cc2O)cc1 1630302357 ZAFFHJQUQQYZJB-UHFFFAOYSA-N 317.410 3.069 10 10 DGCE C[C@H](NC(=O)c1ncccc1-c1ccccn1)c1ccccc1O 1632255912 WNKFPDSCNOQQSN-ZDUSSCGKSA-N 319.364 3.340 10 10 DGCE Cc1ccc(C(=O)NCc2cccc(O)c2O)c(F)c1Cl 1633515681 LOQSRHDYTFVAFG-UHFFFAOYSA-N 309.724 3.129 10 10 DGCE O=C(NCc1c(O)cccc1F)c1cc(Cl)nc(Cl)c1 1635360736 RCCBCYZYLFQCCX-UHFFFAOYSA-N 315.131 3.163 10 10 DGCE COc1cc(NC(=O)c2cc(O)cs2)c(Cl)c(OC)c1 1638982027 HBNLAYJFTJFGQR-UHFFFAOYSA-N 313.762 3.377 10 10 DGCE O=[N+]([O-])c1ccc2nc(NCc3cccc(Cl)c3O)[nH]c2c1 1643298649 SSGVUTSWUDGVSL-UHFFFAOYSA-N 318.720 3.442 10 10 DGCE CCN(OC)C(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1 1645884379 IWFRONYVCPRYOA-UHFFFAOYSA-N 314.385 3.239 10 10 DGCE COCCN(CCOC)/N=N/c1ccccc1Br 1860481732 QEYJJMKXRBOMHM-CCEZHUSRSA-N 316.199 3.043 10 10 DGCE CCCCN=NNc1ccc(C(=O)NCCN(CC)CC)cc1 1860488579 CPOXXCAUZKMGSA-UHFFFAOYSA-N 319.453 3.337 10 10 DGCE Oc1c(F)cc(Br)cc1CN[C@H]1C2C[C@@H]3C1[C@@H]3C2 1916948565 UHGHLKZGLKIPIJ-BDDQZXTRSA-N 312.182 3.038 10 10 DGCE CN(CCCC[C@H](N)c1ccccc1O)C(=O)OC(C)(C)C 1928467953 QQLFTGHFEHSEBC-AWEZNQCLSA-N 308.422 3.429 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@](C)(NCc2ccccc2O)C1 1935937139 ZCNGPKITCBEAQI-GOSISDBHSA-N 320.433 3.271 10 10 DGCE CCOc1cccc([C@H]2C(=O)CCN2C(=O)OC(C)(C)C)c1O 1951969730 NRTVGACKWHLKGY-AWEZNQCLSA-N 321.373 3.042 10 10 DGCE Cc1cccc(N)c1N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1959352429 OPLOTLUTAZPGHD-CYBMUJFWSA-N 305.422 3.389 10 10 DGCE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N(C)CCCN=[N+]=[N-] 1962303904 JUNYMZRMJPSFER-QWHCGFSZSA-N 311.430 3.264 10 10 DGCE CSC[C@H]1C[C@@H](NCc2c(O)cccc2Br)C1 1974463925 WDEFNNPZNXZCGH-AOOOYVTPSA-N 316.264 3.386 10 10 DGCE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(Cc2ccc(N)cc2)C1 1977926176 OJHOAFUYHWFNQA-XJKSGUPXSA-N 319.449 3.004 10 10 DGCE [N-]=[N+]=NC1CCN(Cc2cc(Br)sn2)CC1 1994460430 WGZGZATWWGCONN-UHFFFAOYSA-N 302.201 3.180 10 10 DGCE CN(C[C@@H]1CC[C@@H]2C[C@@H]21)c1ccc(CN)c(Br)c1 2040240399 MTRMFOBMLGTNKJ-OSMZGAPFSA-N 309.251 3.390 10 10 DGCE Nc1cccc(Br)c1N[C@@H]1COC[C@H]1CC1CC1 2040330499 PSPCQHLEHBIZJP-ZWNOBZJWSA-N 311.223 3.258 10 10 DGCE C[C@@H](c1cc(Br)ccc1O)N(C)c1ccnn1C 2052794931 CQGZYUKXCJJORK-VIFPVBQESA-N 310.195 3.086 10 10 DGCE CCO[C@H](CNCc1c(O)cccc1Br)C1CC1 2068143865 MTIMLTJNGDDJHR-CQSZACIVSA-N 314.223 3.059 10 10 DGCE CCc1cc(C(=O)OC(C)(C)C)n(Cc2c(C)cccc2O)n1 2070028428 UIIXNVWSGPNPIJ-UHFFFAOYSA-N 316.401 3.463 10 10 DGCE Cc1ccc([C@@H](n2nc(C(F)F)c(N)c2N)C2(C)CC2)c(O)c1 2079063023 ABLOINMFYJACNW-CYBMUJFWSA-N 322.359 3.389 10 10 DGCE C[C@H]1CCC[C@@H]1CS(=O)(=O)Nc1ccc(O)cc1Cl 2093556309 CIBUYNMTZPSCCG-VHSXEESVSA-N 303.811 3.224 10 10 DGCE CCCN[C@@](CC)(CCCSc1nccs1)C(=O)OC 2144118184 BEPWHYXHNGOYIX-AWEZNQCLSA-N 316.492 3.337 10 10 DGCE CN(CCC(F)(F)C(F)F)c1c(F)cc(CN)cc1F 2166717538 RAYXVDCGLQKMGA-UHFFFAOYSA-N 300.246 3.150 10 10 DGCE C[C@H](N[C@@H]1CS[C@@H](C(F)(F)F)C1)c1cc(O)ccc1O 2189223171 POJXFTMVZRRYLW-YVZVNANGSA-N 307.337 3.185 10 10 DGCE C[C@@H](c1ccc(Cl)cc1O)N(C)[C@@H]1COCCC1(F)F 2203345457 FVRQOHALKVWALX-TVQRCGJNSA-N 305.752 3.463 10 10 DGCE OCc1ccc(N2CCC[C@H](OC(F)(F)F)C2)cc1Cl 2238895568 FHRHHNLEDGDJIX-NSHDSACASA-N 309.715 3.338 10 10 DGCE Oc1c(Cl)cccc1CN[C@@H](C(F)F)C1CCOCC1 2239446687 QVQQLQNZXSLRTE-GFCCVEGCSA-N 305.752 3.196 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H](Nc2ccc(N)cc2)C2(CCC2)C1 2242631332 GGEORPMMKUXYNC-HNNXBMFYSA-N 317.433 3.470 10 10 DGCE CCN[C@@H](C)c1ccc(N(C)Cc2nncs2)cc1Cl 2281382258 ZACMRCMYGVIMAM-JTQLQIEISA-N 310.854 3.498 10 10 DGCE CCCN1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)SC1=S 2294407110 HGZUORLDHMXCSH-UHFFFAOYSA-N 308.384 3.206 10 10 DGCE CCOC(=O)N(C)Cc1ccc(C)c(Br)c1O 2307474111 UAESXQRUFLVEGF-UHFFFAOYSA-N 302.168 3.051 10 10 DGCE CCOCCN(CC)Cc1ccc(C)c(Br)c1O 2327567113 HZGXGGOIZQSPOM-UHFFFAOYSA-N 316.239 3.322 10 10 DGCE CC[C@H](NCc1ccc(C)c(Br)c1O)[C@H](O)CC 2327624998 XKXMWKODJIQNIW-NWDGAFQWSA-N 316.239 3.102 10 10 DGCE CCC(CC)N(CCO)c1c(Cl)cc(OC)cc1OC 2368304373 TZCCHZJTLUVBEK-UHFFFAOYSA-N 301.814 3.345 10 10 DGCE O=C(CC[C@@H]1CCCOC1)NCc1c(O)ccc2c1CCCC2 175966913 DDKBMCQCLBYOQZ-AWEZNQCLSA-N 317.429 3.094 10 10 DGCE CN(Cc1ccccc1O)C(=O)NC[C@@H]1C[C@H]1c1ccccc1 111891816 PPGQDPOIHWYPDO-IRXDYDNUSA-N 310.397 3.337 10 10 DGCE CCN[C@@H](C)c1ccc(N(C)Cc2nccn2C)c(Cl)c1 62253069 MSKOITVJQLHCEC-LBPRGKRZSA-N 306.841 3.380 10 10 DGCE CN(C)c1ccc(CN[C@H](Cc2ccccn2)C2CC2)cc1F 122487896 BGEMFMCYQUGAPI-GOSISDBHSA-N 313.420 3.398 10 10 DGCE Cc1ccc(/C=C/C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 183444293 JJBCTZZSIAABBL-PLWJUESGSA-N 311.381 3.167 10 10 DGCE CN(Cc1ccccc1)CC(C)(C)NCc1ccc(O)c(O)c1 379642373 ZHLZZBPQKRZQKP-UHFFFAOYSA-N 314.429 3.098 10 10 DGCE Cc1cc([C@@H](C)NC(=O)COc2ccc(N)cc2)c(C)s1 49503752 IIUQBNAWDAPAHW-LLVKDONJSA-N 304.415 3.203 10 10 DGCE CC[C@@H]1CC[C@H](C)N1c1cc2c(cc1Cl)[C@H](NC)C(=O)N2 136225100 NDHKBSPIPSIMEI-WMFXKJRFSA-N 307.825 3.320 10 10 DGCE CC[C@@H](NC[C@@H](O)Cc1ccccc1)c1ccc(N(C)C)cc1 132091176 GELOWOKUIHKCPX-VQTJNVASSA-N 312.457 3.397 10 10 DGCE CC(C)N(Cc1ccc(N)cc1)C(=O)c1ccncc1Cl 91448948 WDCNGCBYSGVCOS-UHFFFAOYSA-N 303.793 3.368 10 10 DGCE CC(C)CC[C@@H](N)c1cc(I)ccc1O 95780770 XZOMATJMRXHYJT-LLVKDONJSA-N 319.186 3.433 10 10 DGCE C[C@@H](Nc1cccnc1Br)c1ccc(O)cc1O 235214339 NDIFNUAWWGYQIF-MRVPVSSYSA-N 309.163 3.428 10 10 DGCE CCOCCN(CC)c1ccc(CNC)c(Br)c1 233711696 CCWGMVJKXQGBKM-UHFFFAOYSA-N 315.255 3.031 10 10 DGCE Cc1cccc(N(C)C(=O)/C=C\c2cnn(-c3ccccc3)c2)n1 255424626 DLXSJNOSMRUVSF-QXMHVHEDSA-N 318.380 3.252 10 10 DGCE C[C@H]1CCN(Cc2c(O)cccc2Cl)C[C@H]1n1ccnc1 271228100 BFMFKLMMCFFXLN-SWLSCSKDSA-N 305.809 3.325 10 10 DGCE O=C(/C=C\c1ccc(Br)o1)NCc1ccccc1O 701133682 WCYUZFPYBNVWFF-VURMDHGXSA-N 322.158 3.077 10 10 DGCE CCCN(c1ccc(CN)cc1)[C@@H]1CCO[C@H](C(F)(F)F)C1 809654494 FTNQEMSSGQAJOQ-CABCVRRESA-N 316.367 3.472 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)c1cc(C)nc(C)n1 801549446 OFISOBKDSJADTH-UHFFFAOYSA-N 313.401 3.242 10 10 DGCE Nc1ccc(NC(=O)/C=C/c2ccc(Br)o2)cc1 700637705 PYHZLFTUGBDVGT-SOFGYWHQSA-N 307.147 3.276 10 10 DGCE FC(F)[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)CCO1 802655469 XKVMIMTWFOIJTQ-INIZCTEOSA-N 310.388 3.143 10 10 DGCE COc1cc2c(c(OC)c1)N(CCC[C@@H]1CCOC1)CCC2 828627518 WIGOYSJNZBHICH-CQSZACIVSA-N 305.418 3.273 10 10 DGCE Cc1noc(C(C)C)c1NC(=O)NCc1ccc(N(C)C)cc1 902954190 SFYMJJYGGWCYCO-UHFFFAOYSA-N 316.405 3.494 10 10 DGCE Cc1ccc([C@H](O)CNCc2c(O)cc(C)cc2Cl)cc1 840880899 FWLZYXOGYSTDLL-QGZVFWFLSA-N 305.805 3.486 10 10 DGCE CCO[C@@H]1C[C@@H](NC/C=C/c2ccc(N(C)C)cc2)[C@@H]1SC 842767736 GWRNYWGVYHARAN-OPGNADACSA-N 320.502 3.264 10 10 DGCE CN(Cc1ccccc1O)C(=O)CC1CC(OC(C)(C)C)C1 754184149 VKGUJVHCXUTTFE-UHFFFAOYSA-N 305.418 3.334 10 10 DGCE Cc1cc(O)c(CNC[C@H]2CC(=O)N(C(C)(C)C)C2)c(Cl)c1 850396693 NKJIRBBZMFXBDT-GFCCVEGCSA-N 324.852 3.091 10 10 DGCE CN(C)c1cc(F)c(CN2CCC[C@H](OC(F)F)C2)cc1F 862309215 NJRYRCFGNFYKSY-NSHDSACASA-N 320.330 3.234 10 10 DGCE C[C@@H]1C[C@H](Nc2ccccc2N)CCN1C(=O)OC(C)(C)C 1959373464 IWTOEQXSTOFJAU-CHWSQXEVSA-N 305.422 3.469 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1Nc1c(N)cccc1F 1959367115 NZNBYCPBUNWZRZ-CHWSQXEVSA-N 309.385 3.266 10 10 DGCE CC(C)(C)OC(=O)NCC[C@H]1CCCN(CCCN=[N+]=[N-])C1 1962287163 GIQWLKNDMXXOLU-CYBMUJFWSA-N 311.430 3.314 10 10 DGCE CN(C)c1ccc(Cn2ccnc2Cc2ccccc2N)cc1 82734990 OMCMVZZSQMBGQZ-UHFFFAOYSA-N 306.413 3.170 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1cccc2[nH]ncc12 1179028846 FDYSFYOSLYWXQA-UHFFFAOYSA-N 317.348 3.352 10 10 DGCE O=C(NCc1c(O)cccc1F)c1ccn(Cc2ccccc2)c1 1456029951 OXPXTFQAWMRSEK-UHFFFAOYSA-N 324.355 3.311 10 10 DGCE O=C(CCc1cccc(Cl)c1)NCc1ccc(O)cc1O 1299573565 LEZMHHLGXNAVRR-UHFFFAOYSA-N 305.761 3.000 10 10 DGCE C[C@@H]1C[C@@H]2C[C@H]2C[C@H]1C(=O)Nc1c(Cl)ccc2nonc12 1520359749 VLBSYFKBGZWKLV-DOLQZWNJSA-N 305.765 3.497 10 10 DGCE CC(C)N[C@@]1(CO)C[C@H](C)C[C@H](Sc2nccs2)C1 2118785967 LDFFYQKPTFBNND-DYEKYZERSA-N 300.493 3.153 10 10 DGCE C[C@H](NCc1nc(Cc2ccccc2)no1)c1ccccc1O 1460638346 NBGNVVQSTDARMG-ZDUSSCGKSA-N 309.369 3.217 10 10 DGCE CCCC1=NN(C)C(=O)/C1=C/c1cc(Br)ccc1O 1865671954 INFDSJIJYUAVCR-DHZHZOJOSA-N 323.190 3.166 10 10 DGCE Cc1c(C(=O)O)cc(C(C)C)n1-c1ccc2c(c1)OCCO2 1542989597 CDSPCKBVFHQUPA-UHFFFAOYSA-N 301.342 3.379 10 10 DGCE CSc1ccc(CCC(=O)NCc2ccccc2O)cc1 1622773043 SEXRMCKJNDYVBK-UHFFFAOYSA-N 301.411 3.363 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN(C(=O)c2cc(Cl)c(Cl)[nH]2)C1 1912145917 MYFUGJCKAAMNCG-ZETCQYMHSA-N 302.165 3.484 10 10 DGCE [N-]=[N+]=N[C@@H]1CCN(C(=O)COc2ccc(Cl)cc2Cl)C1 1912168389 DCJUTKHOKILSHH-SECBINFHSA-N 315.160 3.283 10 10 DGCE [N-]=[N+]=N[C@H]1CCN(CCOc2ccc(Br)cc2)C1 1912183022 KDISATPUIQEUPD-NSHDSACASA-N 311.183 3.213 10 10 DGCE C=CC(=O)N(CCCOC)Cc1ccc2c(c1)CCCN2CC 1775952874 CFMDEGFZCRFRLZ-UHFFFAOYSA-N 316.445 3.010 10 10 DGCE O=c1c2ccccc2nc2n1CC/C2=C\c1ccccc1[N+](=O)[O-] 4127672 PKJVFMTUFPIQPN-ACCUITESSA-N 319.320 3.249 10 10 DGCE CC1=NN(Cc2ccccc2)C(=O)/C1=C\c1ccc(C(=O)O)cc1 18193614 KOYPGKUVGDXBNW-BOPFTXTBSA-N 320.348 3.187 10 10 DGCE CN(C[C@H]1CN(CCCN=[N+]=[N-])CC12CC2)C(=O)OC(C)(C)C 1901782237 QMVVROLDTKQBHI-ZDUSSCGKSA-N 323.441 3.266 10 10 DGCE C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@@H](C)[C@@H]1N 1968000570 IAIKHPRRBFSTOU-WOFXILAISA-N 303.233 3.114 10 10 DGCE C[C@@]1(CNCc2cc(Cl)cc(Cl)c2O)CSCCO1 2136565492 WIDYXOROFSTUHR-CYBMUJFWSA-N 322.257 3.311 10 10 DGCE C[C@@H]1CC[C@](O)(CNCc2cc(Cl)cc(Cl)c2O)C1 2136895311 WNVBRARGJZXHPN-YMTOWFKASA-N 304.217 3.340 10 10 DGCE Oc1cccc(Br)c1CNC[C@H]1CC[C@H](F)C1 1945261868 RESUEBMRYXTIRR-UWVGGRQHSA-N 302.187 3.383 10 10 DGCE CCN(C(=O)OC(C)(C)C)[C@@H](C)CNCc1c(C)cccc1O 1976898945 XDJMYYHCIZAZFZ-AWEZNQCLSA-N 322.449 3.436 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H]([C@H](N)c2ccccc2O)C1 259519638 AEBXONTWFNHPLY-DOMZBBRYSA-N 306.406 3.039 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN1Cc1cnsc1Br 1984484434 ULVYHDRVJAWSLO-QMMMGPOBSA-N 302.201 3.180 10 10 DGCE Oc1cccc(Br)c1CN[C@@H]1C[C@@H]1C(F)(F)F 1998623492 ZHHBCMZZCHTWQE-IONNQARKSA-N 310.113 3.195 10 10 DGCE C[C@@H](OCc1ccccc1)C(=O)N(Cc1ccc(N)cc1)C1CC1 404519400 VFAPJLOADIXCKB-OAHLLOKOSA-N 324.424 3.365 10 10 DGCE Oc1c(Br)cc(Cl)cc1CNCc1ccon1 708190019 HNJNNQKUZDFWEZ-UHFFFAOYSA-N 317.570 3.086 10 10 DGCE CCC[C@@H](COC)NCc1ccc(Br)cc1O 691431503 WHGZJWRYIKUIDI-LBPRGKRZSA-N 302.212 3.059 10 10 DGCE C[C@H]1CCN(Cc2ccc(Br)cc2O)C[C@H](C)O1 691680589 MMITXDZFWDSDAV-QWRGUYRKSA-N 314.223 3.154 10 10 DGCE CN1CC[C@H]2CC[C@@H](C1)N2Cc1cc(Cl)cc(Cl)c1O 394352851 YRIDGIMUYPYEHX-OLZOCXBDSA-N 315.244 3.368 10 10 DGCE Cc1conc1CN[C@@H](C)c1cc(Br)ccc1O 2064853384 BDIQPPQLTRPCPQ-VIFPVBQESA-N 311.179 3.302 10 10 DGCE O=Cc1cnn(Cc2cccc(C(F)(F)F)c2O)c1C(F)F 2079040676 RBWHQAIMNQBUFP-UHFFFAOYSA-N 320.217 3.406 10 10 DGCE CCNCc1ccc(N2C[C@@H](F)C[C@@H]2C)cc1Br 2042192168 GHWZBAOWSUTIEK-JQWIXIFHSA-N 315.230 3.495 10 10 DGCE CC[C@H](CN(C)Cc1cc(Br)cc(F)c1O)OC 2068249570 OTCCQPLAKFKXDR-LLVKDONJSA-N 320.202 3.151 10 10 DGCE Cc1cc(Cl)nc(Cl)c1C(=O)N1CC[C@@H](CN=[N+]=[N-])C1 2295284029 VZAQBDKEHDWXPH-QMMMGPOBSA-N 314.176 3.469 10 10 DGCE CCC(CC)(CN)N(C)c1cc(Cl)c(OC)cc1OC 2285850383 IATABDDZFCZQTE-UHFFFAOYSA-N 300.830 3.311 10 10 DGCE CCc1ccc(C=CC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)o1 2309814569 QJUKMBZUDYNXCP-LBPRGKRZSA-N 315.369 3.014 10 10 DGCE COC(=O)c1ccc(C=C2C=C(c3ccccc3)OC2=O)cc1 2313510448 HZGDJFHCOVFXCI-UHFFFAOYSA-N 306.317 3.455 10 10 DGCE CC[C@@H](N)Cc1cnc(SC[C@@]2(C)CCCOC2)s1 2344937243 NTHNFUAAEGWPPY-RISCZKNCSA-N 300.493 3.332 10 10 DGCE Cc1ccc(CNC(=O)[C@H]2C[C@@H]3C[C@@H]3C2)c(O)c1Br 2352628043 SGDRSDQQJOTDGW-ZSBIGDGJSA-N 324.218 3.125 10 10 DGCE CCn1cc(N(C)Cc2ccc(C)c(Br)c2O)cn1 2352949008 XLCHTWXUUQNGMY-UHFFFAOYSA-N 324.222 3.316 10 10 DGCE C[C@@H](NC[C@H](c1cccs1)N(C)C)c1cc(O)ccc1O 21039196 HZHCNUWFVBZYGD-BXUZGUMPSA-N 306.431 3.113 10 10 DGCE C[C@H](Oc1ccc(F)c(Cl)c1)C(=O)Nc1ccc(N)cc1 111763997 QIZLZAVCUGFCDG-VIFPVBQESA-N 308.740 3.467 10 10 DGCE C[C@@H](NC[C@@]1(C)CCCS1)c1ccc(N2CCOCC2)cc1 120387045 SEQZMVBVCFQXBN-CRAIPNDOSA-N 320.502 3.460 10 10 DGCE CC(C)N(CCc1nccs1)Cc1cc2c(cc1O)OCO2 151546973 KNSFYAOQLFPBFL-UHFFFAOYSA-N 320.414 3.031 10 10 DGCE CS[C@@H](C)Cn1c(-c2ccccc2)cnc1SCC(=O)O 163209411 KOQUURACLLDLEZ-NSHDSACASA-N 322.455 3.478 10 10 DGCE Cc1ccc(O)c([C@H](C)Nc2cccc(-n3nnnc3C)c2)c1 192823680 ATJJVVJCROXXBH-LBPRGKRZSA-N 309.373 3.158 10 10 DGCE CC[C@@H](NC[C@H](CC(C)C)N1CCOCC1)c1ccccc1O 192935871 YLPSYYRKTQKPSA-FUHWJXTLSA-N 320.477 3.180 10 10 DGCE Cc1noc(CCN[C@H](C)c2cc(Cl)c(Cl)cc2O)n1 192978273 DBEJOJSYCBBVEH-SSDOTTSWSA-N 316.188 3.284 10 10 DGCE CCCN(CC(=O)Nc1nc(C)cs1)Cc1ccccc1O 195156270 RULKIACMXAFOLF-UHFFFAOYSA-N 319.430 3.008 10 10 DGCE CCO[C@H]1C[C@@H](N(C)C(=O)Cc2ccc(N)cc2)C12CCCC2 236966991 VHQYVVXOFMCHIB-SJORKVTESA-N 316.445 3.008 10 10 DGCE CCO[C@@H]1C[C@@H](N[C@@H](CC)c2ccccc2O)C12CCOCC2 248544581 DPXQHJOQHMZNNR-CGTJXYLNSA-N 319.445 3.407 10 10 DGCE CC[C@H](NCc1cc(Cl)cc(Cl)c1O)[C@@H](O)C(F)F 295071459 PGCRLVUIUXLIMV-GXSJLCMTSA-N 314.159 3.193 10 10 DGCE CNCc1ccc(N2CCC(F)(F)C2)cc1Br 313402465 QRXZIPGULDDGRU-UHFFFAOYSA-N 305.166 3.014 10 10 DGCE C[C@H](c1cc(Br)ccc1O)N(C)C[C@@H]1CCOC1 398857775 VTWICYWGSAYAIC-MNOVXSKESA-N 314.223 3.184 10 10 DGCE COc1ccc(O)c(CNC(=O)/C(C)=C\c2ccc(C)cc2)c1 588401411 MBKBYAWHWBYEMG-UVTDQMKNSA-N 311.381 3.429 10 10 DGCE CNCc1ccc(N2CCC[C@@H](F)C2)cc1Br 701825902 AMCHTUYPPWGVDD-LLVKDONJSA-N 301.203 3.107 10 10 DGCE CC[C@@H](Nc1cnn(C)c1Br)c1ccccc1O 703389868 ALJHUHIMGUADDN-SNVBAGLBSA-N 310.195 3.451 10 10 DGCE C[C@@H]1CCC[C@H](CNCc2c(O)cccc2Br)O1 706805333 ZEJPEBPYBJNBKJ-GHMZBOCLSA-N 314.223 3.202 10 10 DGCE C[C@@H]1CC[C@@H](N(C)Cc2c(O)cccc2Br)CO1 707140849 UGQBTPJOUMCDPN-GHMZBOCLSA-N 314.223 3.154 10 10 DGCE FC(F)Oc1ccc(N2CCC[C@@H](Nc3cccnn3)C2)cc1 742423116 CBKSKKYKQYCDAU-GFCCVEGCSA-N 320.343 3.159 10 10 DGCE C[C@H](NCC[C@@H]1COc2ccccc2O1)c1ccc(F)cc1O 756763262 WIPUAERFZWJMEE-GXTWGEPZSA-N 317.360 3.412 10 10 DGCE C[C@H](NC[C@H]1C[C@H]1C)c1ccc(N2CCOCC2)cc1Cl 765337794 USHYQCCZQLIYQO-HZSPNIEDSA-N 308.853 3.483 10 10 DGCE Cc1cc(Cl)cc(CN2CCC[C@H]2CN2CCCC2)c1O 775665104 XUENMYJBFBTQPT-INIZCTEOSA-N 308.853 3.414 10 10 DGCE COc1ccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)nc1 775750642 KGHSKAPIOWFLIP-LBPRGKRZSA-N 314.389 3.039 10 10 DGCE COc1cc(O)c(CN[C@@H](C)CCc2ccc(C)o2)cc1OC 776220422 NGTHRBXNDQQJKJ-LBPRGKRZSA-N 319.401 3.422 10 10 DGCE CC[C@@H]1C[C@@H](NCc2ccc(Br)cc2O)CCO1 826130731 LWQALGGVNSRJCB-QWHCGFSZSA-N 314.223 3.202 10 10 DGCE C[C@H](NC(=O)c1cncc(Cl)c1)c1ccc(N(C)C)cc1 828860714 FXBHMIICRXVAIZ-NSHDSACASA-N 303.793 3.292 10 10 DGCE CN(C/C=C\c1ccc(N(C)C)cc1)C[C@@H]1CCCC[C@H]1O 835043688 BETYYTFYLZVMTM-LOYZYROESA-N 302.462 3.249 10 10 DGCE CN1CCCc2cc(CNC(=O)N3CCC[C@](C)(F)C3)ccc21 838032041 VMRRWOHDJPCILE-SFHVURJKSA-N 319.424 3.103 10 10 DGCE Oc1cc2c(cc1CN1CCC[C@@H]1CC1CCCC1)[C@@H](O)CO2 848505348 IWISAMYOHHWDMJ-QAPCUYQASA-N 317.429 3.363 10 10 DGCE CCOc1ccc(O)c(CN2CCC[C@@H](C3CCNCC3)C2)c1 849349774 HAGVVTOPMDNZKX-MRXNPFEDSA-N 318.461 3.003 10 10 DGCE OC1CCN(c2ccc(CN[C@@H]3CCCC34CC4)cc2)CC1 850569144 VJPJRJIVEDFMLK-GOSISDBHSA-N 300.446 3.070 10 10 DGCE Cc1cc(F)ccc1C[C@@H](C)NC(=O)Cc1ccc(N)cc1 851641653 ODTYQKVGKGVHSP-CYBMUJFWSA-N 300.377 3.006 10 10 DGCE Cc1cnn(C)c1NC(=O)Cc1cc(C)n(-c2ccccc2)c1C 855249997 GMFXSLASMSQPEJ-UHFFFAOYSA-N 322.412 3.317 10 10 DGCE Cc1cnc(F)c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 867504234 UDAUOSVWSOOQDE-LBPRGKRZSA-N 301.365 3.086 10 10 DGCE Oc1c(F)cc(F)cc1CN1CC[C@H](Cc2ccncc2)C1 894438720 TWMLBDXVCKYSOZ-CYBMUJFWSA-N 304.340 3.130 10 10 DGCE C[C@@H](N[C@H](CCN(C)C)c1cccnc1)c1cc(F)ccc1O 903381870 ZJUPOCXANYVBII-CXAGYDPISA-N 317.408 3.270 10 10 DGCE O=C(Nc1ccccc1)C1(NCc2ccc3c(c2)CCCO3)CC1 922019737 CRCCYXALPAQCEJ-UHFFFAOYSA-N 322.408 3.273 10 10 DGCE O=C(CCSCc1ccccc1)NCc1c(O)cccc1O 1156886148 UPJYZGJMNQRUCR-UHFFFAOYSA-N 317.410 3.038 10 10 DGCE C[C@@H](N[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1)c1ccccc1O 1168826166 XABWROMBTCSVEX-MGPQQGTHSA-N 320.433 3.441 10 10 DGCE CCC(C)(C)C(=O)N[C@@H](C)CCNCc1ccc(OC)c(C)c1 1272986280 QGPFIDKHYCEOPZ-HNNXBMFYSA-N 320.477 3.424 10 10 DGCE Cc1ccnc2ccc(C(=O)N3Cc4cccc(O)c4C3)cc12 1302787566 PCWANVRGGKZCRI-UHFFFAOYSA-N 304.349 3.405 10 10 DGCE CN(C)c1cc(F)c(CNC2C[C@H]3[C@H](C2)C3(F)F)cc1F 1334908938 PSLBZQHTVNZLSZ-QWRGUYRKSA-N 302.315 3.164 10 10 DGCE Cc1c(NC(=O)Cc2ccc(O)c(O)c2)cccc1-c1ncco1 1450498794 QKISPGNQZDUJPS-UHFFFAOYSA-N 324.336 3.242 10 10 DGCE Cn1cc(/C=C/C(=O)N2CCCCc3cc(Cl)ccc32)cn1 1461611630 KGZHTPNOPUPPIO-VMPITWQZSA-N 315.804 3.456 10 10 DGCE C[C@H](NC(=O)[C@@]1(O)CCCC(C)(C)C1)c1ccc(N(C)C)cc1 1467260830 UZQSRUAQFJIXOP-IFXJQAMLSA-N 318.461 3.261 10 10 DGCE O=C(/C=C\c1ccc(Cl)cc1)NCc1ccc(O)cc1O 1469161143 HNJQPBNAJCYVSC-BAQGIRSFSA-N 303.745 3.081 10 10 DGCE CCCCN(C)c1nnc(C)n1Cc1ccc(N(C)C)cc1C 1614486404 ZCNQUNYAZBKOMC-UHFFFAOYSA-N 315.465 3.246 10 10 DGCE CCOc1cccc(/C=C2/SC(=S)N(C(C)C)C2=O)c1O 1858587021 OZSYZWAVODUIQK-XYOKQWHBSA-N 323.439 3.401 10 10 DGCE Cc1c(CN=[N+]=[N-])cc(I)cc1C(=O)O 1887510164 FPZZVBNMHIBWHU-UHFFFAOYSA-N 317.086 3.108 10 10 DGCE Brc1cc(N2CC3(CC3)C2)ccc1CNC1CC1 1914945346 VBTWWDFEUMBSSA-UHFFFAOYSA-N 307.235 3.301 10 10 DGCE Nc1ccc(CCCN(Cc2ccccc2)[C@@H]2CCOC2)cc1 1915457748 OLVKPAOXOPFCJW-HXUWFJFHSA-N 310.441 3.493 10 10 DGCE CN1CC[C@@H](NCc2cc(Cl)cc(Cl)c2O)C1(C)C 1924327603 PKBBDXRAJNEMPC-GFCCVEGCSA-N 303.233 3.271 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H](C[C@@H](N)c2ccccc2O)C1 1936971482 WSGQIJOMJIAUTE-DZGCQCFKSA-N 320.433 3.429 10 10 DGCE COc1cc(CCN=[N+]=[N-])ccc1I 1951349664 CICJAQKCNCTULC-UHFFFAOYSA-N 303.103 3.153 10 10 DGCE C[C@H]1CN(CCCCN=[N+]=[N-])CC[C@H]1NC(=O)OC(C)(C)C 1962302170 YGQLBOGPMOEKCG-QWHCGFSZSA-N 311.430 3.312 10 10 DGCE CO[C@@H]1CCCC[C@@H]1NCc1cccc(Br)c1O 2027931900 GNELQGSZQSIQSZ-QWHCGFSZSA-N 314.223 3.202 10 10 DGCE Cc1ccc([C@@H](C)n2nc(CC(C)C)cc2C(=O)O)c(O)c1 2069875481 FLESTFVBGUJOQG-GFCCVEGCSA-N 302.374 3.403 10 10 DGCE Cc1cc(O)c([C@@H](C)n2nc(CC(C)C)cc2CN)cc1C 2070095711 RRSPQLUGTQZCOB-CQSZACIVSA-N 301.434 3.472 10 10 DGCE C[C@H]1[C@H](C)[C@@H](Nc2c(N)cccc2Br)CCN1C 2073372099 LUWQNXRIBOORDG-KWBADKCTSA-N 312.255 3.172 10 10 DGCE CNCc1ccc(N2C[C@@H]3C[C@H](C)[C@H]3C2)c(Br)c1 2085506787 HGKPYMGIJBPTPG-WCFLWFBJSA-N 309.251 3.261 10 10 DGCE Nc1ccc(O)c(CNC(=O)c2scc(Cl)c2Cl)c1 2096213944 YCCVWJYTKFAOON-UHFFFAOYSA-N 317.197 3.273 10 10 DGCE C[C@@H](N)c1ccc(N(C)C2(CO)CCSCC2)cc1Cl 2171172851 MRICLXHQTSWSOM-LLVKDONJSA-N 314.882 3.054 10 10 DGCE CN(c1cc(Cl)c(CN)cc1F)[C@@H]1CCCCC[C@@H]1O 2177389813 VNOQPOMYCLTGQP-HIFRSBDPSA-N 300.805 3.068 10 10 DGCE C[C@@H](c1ccc(Cl)cc1O)N1CCO[C@@H](C(F)F)CC1 2203345216 DDQFQRYFQKIYEF-TVQRCGJNSA-N 305.752 3.463 10 10 DGCE COCCCN(CCOC)[C@H](C)c1ccc(Cl)cc1O 2203362453 NXANDDYXWRYFPP-GFCCVEGCSA-N 301.814 3.092 10 10 DGCE CCC[C@H](CNCc1cccc(C)c1O)NC(=O)OC(C)(C)C 2210474981 ZHDRLIPLCXRVDQ-OAHLLOKOSA-N 322.449 3.484 10 10 DGCE C[C@H](O)c1ccc(N(C)CC2(F)CCOCC2)c(Cl)c1 2238273783 YEXBJDOUTWTPET-NSHDSACASA-N 301.789 3.348 10 10 DGCE CC(C)(C)OC(=O)NCC(C)(C)OCCNc1ccc(N)cc1 2246093478 WJXJNDQZVUHZFJ-UHFFFAOYSA-N 323.437 3.001 10 10 DGCE CSc1ncc(CNc2cc(Cl)nn3ccnc23)s1 2269285108 OCWJOWJYMXVSEQ-UHFFFAOYSA-N 311.823 3.173 10 10 DGCE COC(=O)CCCN1C(=O)SC(=Cc2ccccc2)C1=S 2297450104 XQYONHPKTRISSC-UHFFFAOYSA-N 321.423 3.477 10 10 DGCE CN(C)c1ccc(C=CC(=O)Nc2ccccc2C(=O)O)cc1 2313510980 HLYBIFPPQZVXQI-UHFFFAOYSA-N 310.353 3.103 10 10 DGCE CCn1cncc1NCc1ccc(C)c(Br)c1O 2327591992 PBHJAWQYOZRXNZ-UHFFFAOYSA-N 310.195 3.292 10 10 DGCE C=Cn1ccnc1CNCc1ccc(C)c(Br)c1O 2352946995 FOJVWRDPWJOTIK-UHFFFAOYSA-N 322.206 3.050 10 10 DGCE O=C1N=C(N2CCSCC2)S/C1=C\c1ccc(Cl)cc1 102732699 FTSRGJQUHRLOCE-XFXZXTDPSA-N 324.858 3.359 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)Nc1c(C)n[nH]c1C 171785009 DEFQUAGPADCYEY-UHFFFAOYSA-N 315.421 3.147 10 10 DGCE C[C@H](N[C@@H]1CCN(c2ncccc2Cl)C1)c1ccccc1O 183556294 QWGZGUNXKAUYGF-QWHCGFSZSA-N 317.820 3.370 10 10 DGCE C[C@@H](N[C@@H]1CCN(c2ncccc2Cl)C1)c1ccccc1O 183556309 QWGZGUNXKAUYGF-CHWSQXEVSA-N 317.820 3.370 10 10 DGCE CC(C)c1noc(CCCN[C@@H](C)c2ccc(F)cc2O)n1 185319193 LGXOWDDMZKGRGW-NSHDSACASA-N 307.369 3.321 10 10 DGCE COc1cc(OC)c(N2CCN[C@@H](CC(C)C)C2)cc1Cl 86129564 OYXUQZKPVMAVKJ-LBPRGKRZSA-N 312.841 3.182 10 10 DGCE CCC(CC)(CN)N(C)c1c(Cl)cc(OC)cc1OC 2368111881 BFDWAZYWIUJIPF-UHFFFAOYSA-N 300.830 3.311 10 10 DGCE CC[C@@H](N[C@@H](C)C(=O)N1CCCCC1)c1ccc(N(C)C)cc1 89593224 XPONFCYUWDFAQZ-MAUKXSAKSA-N 317.477 3.194 10 10 DGCE CN(C)c1ccc(/C=C\C(=O)Nc2ccccc2C(=O)O)cc1 198474006 HLYBIFPPQZVXQI-XFXZXTDPSA-N 310.353 3.103 10 10 DGCE CCN(CC)c1ccc(CN2CCC([C@@H](C)O)CC2)cc1F 92969840 JHTYUMPNHYXVQG-CQSZACIVSA-N 308.441 3.265 10 10 DGCE Cc1ccc(-n2c(C)cc(/C=C\C(=O)N3CC[C@H](O)C3)c2C)cc1 255083979 WBCNRIDYVAOBSE-QBUQCISBSA-N 324.424 3.009 10 10 DGCE CN(C)c1ccc([C@H](N)Cc2ncccc2Br)cc1 382459881 XIPMKLDLGCUITP-CQSZACIVSA-N 320.234 3.153 10 10 DGCE Oc1cc(F)c(Cl)cc1CNC1CCN(C2CCC2)CC1 294145403 HRFCBCDVTYDCPH-UHFFFAOYSA-N 312.816 3.291 10 10 DGCE COCC[C@H](COC)N(C)[C@@H](C)c1cc(Cl)ccc1O 2165962316 ZGIWIRFHAZOKHD-WCQYABFASA-N 301.814 3.090 10 10 DGCE CO[C@@H]1C[C@@H]2C[C@H](NCCCSc3nccs3)C[C@@H]2C1 818333436 WJEKYDPEYOZBMP-KPWCQOOUSA-N 312.504 3.419 10 10 DGCE COCC[C@@H](COC)NCc1cc(-c2ccccc2)ccc1O 810173620 GTCGUCSFKAMLOK-SFHVURJKSA-N 315.413 3.200 10 10 DGCE Cc1cc(C)c([C@H](C)NCc2nc(CN(C)C)cs2)c(O)c1 903219794 KDXVSQVEUGQRLD-ZDUSSCGKSA-N 319.474 3.378 10 10 DGCE COc1ccc(O)c(CN2CC(F)(c3ccccc3F)C2)c1 839143157 NCAKHRHMLUGOPW-UHFFFAOYSA-N 305.324 3.221 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCC(c3cn[nH]c3)CC2)cc1 835024982 BGQZRAXDNGRZDY-ARJAWSKDSA-N 310.445 3.369 10 10 DGCE CN(C)c1ccc(CNC(=O)C2(C(F)(F)F)CCCC2)cc1 841017837 IQGLSTAMEUCUSD-UHFFFAOYSA-N 314.351 3.492 10 10 DGCE CN(C)c1ccc([C@@H](N)CNCc2nccc3ccccc23)cc1 841042323 IANYFTLCCGKXIN-IBGZPJMESA-N 320.440 3.090 10 10 DGCE CCCN1CCN(c2ccccc2CNc2ccc(N)cc2)CC1 841040110 IRJAMHDDXMHDGZ-UHFFFAOYSA-N 324.472 3.413 10 10 DGCE COc1ccc(N2CCC(NC[C@@H]3CCC[C@H](C)O3)CC2)cc1 850379399 NQFDNPZGCKCJHT-KXBFYZLASA-N 318.461 3.211 10 10 DGCE COC(=O)c1ccc(O)c([C@H](C)NCC[C@H]2CCCS2)c1 866481746 VRJZTGYQKAGQTK-WCQYABFASA-N 309.431 3.115 10 10 DGCE O=C(c1cccc(N2CCCC2)c1)N1Cc2cccc(O)c2C1 871206086 QYPXQRPUGHNOSR-UHFFFAOYSA-N 308.381 3.148 10 10 DGCE COc1nn(C)cc1N[C@@H](C)c1cc2c(cc1O)CCCC2 788985346 QIDQPVUDJAOEEO-NSHDSACASA-N 301.390 3.186 10 10 DGCE O=C(N[C@@H]1CCCC1(F)F)c1cc2cc(O)c(O)cc2s1 897770816 NPFXHJNIFOSRFN-GFCCVEGCSA-N 313.325 3.230 10 10 DGCE CN(C(=O)Cc1ccc(O)c(O)c1)[C@@H]1CCC[C@H]1C(C)(C)C 1142514324 LJTPNOUKAZHPNW-ZIAGYGMSSA-N 305.418 3.314 10 10 DGCE CC1(C)CNc2cc3c(cc2N1CC(F)(F)F)OCCO3 57926315 YPANHNKPNGUMPR-UHFFFAOYSA-N 302.296 3.031 10 10 DGCE COc1ccc(Br)c(CNC2CC(F)(F)C2)c1O 1964034410 DFEYOETVVLXZJQ-UHFFFAOYSA-N 322.149 3.051 10 10 DGCE CC(C)N(C(=O)OC(C)(C)C)[C@H](CN)c1ccc(N(C)C)cc1 698278214 ITUYPRZYSXQRNO-MRXNPFEDSA-N 321.465 3.398 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)Nc2ccc3nccnc3c2)cc1 1464281680 QYXMNMLNORUJAB-UHFFFAOYSA-N 320.312 3.045 10 10 DGCE CCC[C@H](OCC)C(=O)NCc1c(O)ccc2ccccc12 1472085483 UILRIUUCVPNPJO-KRWDZBQOSA-N 301.386 3.367 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H]2c2ccccn2)cc1 1542321869 LEEZTYJDXGJPSA-HNNXBMFYSA-N 323.356 3.221 10 10 DGCE COC(=O)c1cnc(Sc2nccs2)c(C(F)(F)F)c1 1639323131 KTCBHFQTDGXVAB-UHFFFAOYSA-N 320.317 3.495 10 10 DGCE CNc1ccc(C(=O)NCc2cccc(OC)c2O)c(Cl)c1 1566374315 CTUPMLSJKQDKOM-UHFFFAOYSA-N 320.776 3.026 10 10 DGCE CN(C)c1ccc2c(c1)OCCN2CCSc1ccncc1 1653144723 KUCGDWBUJIIVKW-UHFFFAOYSA-N 315.442 3.139 10 10 DGCE Cc1ncc(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)o1 1584771096 OHYOUXKFVUZFET-UHFFFAOYSA-N 309.369 3.321 10 10 DGCE COc1ccc2ccc(O)c(CN3CCC([C@@H](C)O)CC3)c2c1 158608384 FFIKCEKEKZEUCB-CYBMUJFWSA-N 315.413 3.147 10 10 DGCE CC(C)(C)NCc1ccc(N2CCC[C@H](CO)C2)c(Cl)c1 163960115 ZWSVTRARMKKCJS-AWEZNQCLSA-N 310.869 3.437 10 10 DGCE CCN[C@H]1C(=O)Nc2cc(N3CC=C(C)CC3)c(Cl)cc21 167786492 YEZQXVAPISAMEK-OAHLLOKOSA-N 305.809 3.099 10 10 DGCE CCCN1N=C(C)/C(=C\c2cc(Br)ccc2O)C1=O 1865672017 LFVKTAYWAHLAAT-XYOKQWHBSA-N 323.190 3.166 10 10 DGCE CC1(C)COCCN(Cc2ccc(Br)cc2O)C1 1967782584 MPLBYBASYNAVGS-UHFFFAOYSA-N 314.223 3.013 10 10 DGCE CCOC(=O)C[C@H](N)c1c(O)c(Cl)cc(Cl)c1Cl 1951375221 HJIIGSDMOZZJIA-ZETCQYMHSA-N 312.580 3.305 10 10 DGCE CCN[C@@H](C)c1ccc(N(C)Cc2csnn2)cc1Cl 2150281924 NHUOIBQPXPDANR-JTQLQIEISA-N 310.854 3.498 10 10 DGCE C[C@@]1(C(F)F)C[C@@H]1NCc1cc(Br)ccc1O 2008230470 OEVWOBVQWMFPTD-CMPLNLGQSA-N 306.150 3.288 10 10 DGCE O=C(O)[C@@H]1C[C@]12CC[C@H]2NCc1cc(Cl)cc(Cl)c1O 2172502234 UYYOJWPCFWABTP-DRCTWCGVSA-N 316.184 3.042 10 10 DGCE CN(C[C@H]1C[C@]12CC2(F)F)c1cc(Cl)c(CN)cc1F 2177389462 UPFADYKNFLPZFA-RNCFNFMXSA-N 304.743 3.419 10 10 DGCE Cc1ccc(O)c([C@H](C)NC2[C@H]3CN(Cc4ccccc4)C[C@H]23)c1 398297105 DVFHCJBUAUIMPE-SNRMKQJTSA-N 322.452 3.482 10 10 DGCE CC=CC(=O)N1CCc2c(c3ccc(Cl)c(F)c3n2C)C1 2069522692 RWEBBBVUEBAXQB-UHFFFAOYSA-N 306.768 3.432 10 10 DGCE Cc1c(C(F)(F)F)nn(Cc2c(O)cccc2Cl)c1N 2079789721 RYZQXJJAKHZPGT-UHFFFAOYSA-N 305.687 3.200 10 10 DGCE Oc1c(Br)cccc1CNC[C@H]1C[C@@H]1C(F)(F)F 2041784482 QFNBOWNHOUVMSM-BDAKNGLRSA-N 324.140 3.443 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@H](C1)N2c1ccc(N)cc1 2210706380 YGEKCUBRKHEKGB-IYBDPMFKSA-N 317.433 3.247 10 10 DGCE CO[C@H](CSc1ncc(C(=N)NO)s1)C1CCCCC1 2296265094 KJBGGDUBPOJQET-SNVBAGLBSA-N 315.464 3.135 10 10 DGCE CCCC1=NN(C)C(=O)C1=Cc1cc(Br)ccc1O 2332124713 INFDSJIJYUAVCR-UHFFFAOYSA-N 323.190 3.166 10 10 DGCE Cc1ccc(CN2CCO[C@H](C)[C@H]2C)c(O)c1Br 2327581194 LNIFEXKVEJXXJD-GHMZBOCLSA-N 314.223 3.072 10 10 DGCE COc1ccc(N2CCC(NCc3cnc(C)s3)CC2)cc1 102432697 LMFOQHKJXZYSST-UHFFFAOYSA-N 317.458 3.219 10 10 DGCE CN1C(=O)C(=Cc2ccc(Br)s2)SC1=S 2295204025 VFXBGZPCGQMEPQ-UHFFFAOYSA-N 320.258 3.342 10 10 DGCE O=C1NC(=S)SC1=Cc1ccc(F)cc1Br 2301065075 ZOQFBEOMPOSQHX-UHFFFAOYSA-N 318.192 3.077 10 10 DGCE Cc1ccc(Br)c(NC(=O)c2ccc(O)c(O)c2)c1 235850619 OXWRXLZRPXOWSU-UHFFFAOYSA-N 322.158 3.421 10 10 DGCE COc1ccccc1[C@H](O)CN[C@@H](C)c1cc(C)ccc1O 185096644 LMPUZCKJBFFBRX-SUMWQHHRSA-N 301.386 3.093 10 10 DGCE Cc1cc(C)cc([C@H]2CCN(C(=O)c3cccc(O)c3O)C2)c1 193161046 XOKLFJJWDDYXPS-AWEZNQCLSA-N 311.381 3.344 10 10 DGCE C[C@H]1CN(c2ccc([C@H](C)N)c(Br)c2)C[C@@H](C)O1 235514862 PVYHCRPVNPCIAE-AXFHLTTASA-N 313.239 3.082 10 10 DGCE C[C@@H](N[C@@H]1CCc2nc[nH]c2C1)c1ccc2ccccc2c1O 368098640 CFXMXNDSBGWIHQ-TZMCWYRMSA-N 307.397 3.477 10 10 DGCE Cc1ccc(O)c(CN[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)c1 700744624 BRBFAOPUNSCINB-HIFRSBDPSA-N 320.433 3.188 10 10 DGCE COc1cccc(CNCc2ncc(C(F)(F)F)s2)c1O 289413361 IEGKZXGACWZRJC-UHFFFAOYSA-N 318.320 3.166 10 10 DGCE O=C(CC1CCCC1)NCc1cc(Br)ccc1O 804734391 DDFRRNJJLSWIQA-UHFFFAOYSA-N 312.207 3.351 10 10 DGCE COCC[C@@H](COC)N[C@H](C)c1ccc(Cl)c(Cl)c1O 810256879 IDXONKDRVZBQQP-ZJUUUORDSA-N 322.232 3.401 10 10 DGCE C[C@H](N[C@@H]1CNCC[C@H]1C)c1cccc(C(F)(F)F)c1O 817969025 PQMOSSFGIPUGEW-GBIKHYSHSA-N 302.340 3.060 10 10 DGCE CO[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)C1CCC1 824261623 HPFKPEIVHXFDGV-SFHVURJKSA-N 316.445 3.108 10 10 DGCE O=C1/C(=C\c2nccc3c2CCCC3)SC(=S)N1C1CC1 905000999 CCLHIANHLNPVER-NTEUORMPSA-N 316.451 3.324 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C1(CCF)CC1 839920817 FGPAOOLICXOOIR-AWEZNQCLSA-N 306.425 3.248 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)N1CC=C(c2ccccc2)CC1 588406029 KORSGVZSQUPGAC-CLFYSBASSA-N 321.376 3.427 10 10 DGCE Cc1cc(O)c(CN2C[C@H](N3CCCC3)C[C@H]2C)c(Cl)c1 840948014 JIXYPYLQJQYIJB-ZIAGYGMSSA-N 308.853 3.413 10 10 DGCE CCc1ccc(NC(=S)NCc2cccc(OC)n2)cc1 748045134 YGUHEWCVHIVVPN-UHFFFAOYSA-N 301.415 3.139 10 10 DGCE Cc1cc(O)c(CN2CCC[C@@H]2c2nc(C)no2)c(Cl)c1 840946043 GTNWKDGGWVTMHA-CYBMUJFWSA-N 307.781 3.383 10 10 DGCE Cc1ccc(O)c([C@H](C)N[C@H]2C[C@@](CO)(c3ccccc3)C2)c1 927154782 DHBFSCPZILUCBX-RIFZZMRRSA-N 311.425 3.444 10 10 DGCE CN(C)c1cc(F)c(CN[C@H](C2CCOCC2)C2CC2)cc1F 858184805 OUNVIMVWQDWWHX-SFHVURJKSA-N 324.415 3.326 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)NC[C@@H]1CCC[C@@H]2C[C@H]12 852565563 OVEJTHBWFIAPQL-SUNKGSAMSA-N 308.809 3.281 10 10 DGCE c1cc2c(cc1CN[C@@H](C1CCC1)[C@H]1CCOC1)CCCO2 922315061 WAJDETWWZRRMTQ-HKUYNNGSSA-N 301.430 3.306 10 10 DGCE Cc1ccc(C(=O)O[C@H](C)c2nc(C(C)(C)C)no2)c(O)c1O 750619375 OKLVJJXCMFIDFC-SECBINFHSA-N 320.345 3.005 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)C[C@H]1NCc2ccccc21 852800577 QFRWGUROLXAQBH-GOSISDBHSA-N 324.424 3.365 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCCC23CC3)c1 868845394 VCSWFNFPALOFPO-XHDPSFHLSA-N 304.390 3.094 10 10 DGCE CC[C@@H]1NCC[C@H]1N[C@H](C)c1ccc(N2CCCCC2)cc1 863543648 UGWMNGGRNZCEER-AYOQOUSVSA-N 301.478 3.468 10 10 DGCE CC(F)(F)C(C)(C)CNCc1ccc(N2CCOCC2)cc1 865790045 GIUJKDJOMDQDQA-UHFFFAOYSA-N 312.404 3.294 10 10 DGCE CCOc1ccc(O)c(CN2CCOc3ccc(OC)cc32)c1 765649885 BURBMPMPLZSCKU-UHFFFAOYSA-N 315.369 3.199 10 10 DGCE C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)[C@]12CCCC[C@H]1C2 870529484 OBOMJVMLZVGSKP-DTNLBFGJSA-N 301.386 3.196 10 10 DGCE COC(=O)[C@@H]1C[C@H](C)CCN1Cc1cc(Cl)cc(C)c1O 776004235 ZUBSJACONAMFAD-YGRLFVJLSA-N 311.809 3.128 10 10 DGCE C[C@H](NCCC[C@@H]1CCOC1=O)c1cc2c(cc1O)CCCC2 872111645 FLPQNRVPWWAUIA-UONOGXRCSA-N 317.429 3.265 10 10 DGCE CCOc1ccc(CNc2cc(C)cc(OCCO)c2)c(O)c1 775035236 XLGUXEHVXJDGKL-UHFFFAOYSA-N 317.385 3.083 10 10 DGCE CC(C)[C@H](CC(F)(F)F)NC(=O)NCc1ccccc1O 782954447 URIBTNHJXVDBJX-NSHDSACASA-N 304.312 3.168 10 10 DGCE Clc1ccc(C2=CCN(c3ncncc3Cl)CC2)cn1 786799563 NUSLOGWZCJKPGE-UHFFFAOYSA-N 307.184 3.472 10 10 DGCE C[C@@H]1CN(Cc2cccc(Br)c2O)[C@H](C)[C@@H](C)O1 783736966 GRKQOQAPOQIDMC-GMTAPVOTSA-N 314.223 3.152 10 10 DGCE COc1cccc(O)c1CN1CCCC[C@H](C2CCOCC2)C1 895716922 NBCQQNKORNUIHA-INIZCTEOSA-N 319.445 3.430 10 10 DGCE CCC(CC)(CNC(=O)c1cc2cc(O)c(O)cc2s1)OC 897831687 ABPITJFGRLMDKG-UHFFFAOYSA-N 323.414 3.248 10 10 DGCE CO[C@H](CCN[C@@H](C)c1cc(F)cc(F)c1O)C(F)(F)F 786955402 ZJXSQHWRXHFKSZ-WRWORJQWSA-N 313.266 3.288 10 10 DGCE CC1(F)CC(NCc2cc(Br)cc(F)c2O)C1 1964061859 LVEOOYOAGGIONL-UHFFFAOYSA-N 306.150 3.274 10 10 DGCE [N-]=[N+]=NCCCNC(=O)c1c(F)cc(Br)cc1F 94717470 KPOOBRUXIDIUAA-UHFFFAOYSA-N 319.109 3.158 10 10 DGCE Cc1oc(Br)cc1C(=O)N1CCC[C@H]1CN=[N+]=[N-] 692876080 FQKUIHFXWAAZME-QMMMGPOBSA-N 313.155 3.265 10 10 DGCE CC(C)CONCc1cc(Cl)cc(Br)c1O 708171745 NBEGSHIWZMZKGN-UHFFFAOYSA-N 308.603 3.485 10 10 DGCE Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCC(C)(C)[C@]1(O)CCOC1 1326216901 XPLAJGDCCICXBS-LPMFXHHGSA-N 319.445 3.016 10 10 DGCE COc1ccc(CNCCC[C@H](C)NC(=O)[C@H]2C[C@@H]2C)cc1C 1330894697 NMPWIFPNWZLOSF-QRTARXTBSA-N 318.461 3.034 10 10 DGCE CN(Cc1ccccc1O)C(=O)c1ccc2ccc(O)cc2c1O 1294680622 YITIMFPCWJQXOB-UHFFFAOYSA-N 323.348 3.229 10 10 DGCE C[C@@H](Oc1cccc(Cl)c1)C(=O)N1Cc2cccc(O)c2C1 1455036978 NGVSNBHVBGUGCD-LLVKDONJSA-N 317.772 3.355 10 10 DGCE CCCOCC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C 1544081270 UHNZSWOPWULBBD-UHFFFAOYSA-N 314.429 3.445 10 10 DGCE CC[C@H](O)c1ccc2c(c1)[C@@H](C)C(=O)N2Cc1ccc(N)cc1 213206694 XKNOLGXEIVCXPQ-XIKOKIGWSA-N 310.397 3.363 10 10 DGCE COc1ccc(CNCCN(C)C(=O)C(C)=C2CCC2)cc1C 1731908238 GPRHSOXVPNLBCS-UHFFFAOYSA-N 316.445 3.052 10 10 DGCE CO[C@H]1CCN(c2ccc([C@@H](C)O)c(Br)c2)[C@@H]1C 1914235126 AJWRBXMMGXUCMP-RULNRJAQSA-N 314.223 3.116 10 10 DGCE CCN(CC)C1CCN(Cc2cc(C)cc(OC)c2O)CC1 164357806 QWJWGOZJEUZUSV-UHFFFAOYSA-N 306.450 3.015 10 10 DGCE COc1ccc(CN2CCN(c3cccc(C)c3)CC2)c(O)c1 155974898 BSXZRWHGHHWURR-UHFFFAOYSA-N 312.413 3.031 10 10 DGCE CC[C@@](C)(NC(=O)OC(C)(C)C)[C@@H](O)c1ccc(N(C)C)cc1 1977938772 LCQQKMPJOLHGJG-MAUKXSAKSA-N 322.449 3.479 10 10 DGCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@H]1CCC[C@H]1O 1977929744 NEZPMQQQCYQJRF-JKSUJKDBSA-N 320.433 3.061 10 10 DGCE CN[C@@H](c1sccc1Cl)[C@@H](O)c1ccc(N(C)C)cc1 2148574657 UARFZKJBSQSOLC-KGLIPLIRSA-N 310.850 3.462 10 10 DGCE CCCN[C@@](C)(CCCSc1nccs1)C(=O)OCC 45596114 KVWCLMNDHFIIFH-AWEZNQCLSA-N 316.492 3.337 10 10 DGCE CN[C@H](c1ccc(N(C)C)cc1)c1ccn(Cc2ccccc2)n1 2022172411 GLPBYKVIILFTDG-HXUWFJFHSA-N 320.440 3.306 10 10 DGCE Nc1cccc(Br)c1N[C@@H]1COC[C@@H]1CC1CC1 2040330497 PSPCQHLEHBIZJP-GXFFZTMASA-N 311.223 3.258 10 10 DGCE CNCc1ccc(N2C[C@@H](C)C(F)(F)C2)c(Br)c1 2040575583 BUSQRTICAMSQBP-SECBINFHSA-N 319.193 3.260 10 10 DGCE Cc1ccc(F)cc1S(=O)(=O)Nc1ccc(O)cc1Cl 70334316 ZALSJDBUAMDGLZ-UHFFFAOYSA-N 315.753 3.294 10 10 DGCE C[C@]1(CNCc2cccc(Br)c2O)CC1(F)F 689213518 VAYBQKFXCYYWLM-LLVKDONJSA-N 306.150 3.290 10 10 DGCE Cc1cnc(CNCc2cccc(Br)c2O)c(C)c1 724034694 RWACVEZRSGJBQX-UHFFFAOYSA-N 321.218 3.456 10 10 DGCE COc1cc(Cl)cc(CNC[C@H]2SCC[C@@H]2C)c1O 2094447180 BJPJTMKUKDMBLC-TVQRCGJNSA-N 301.839 3.285 10 10 DGCE Cc1cc([C@H](C)O)ccc1N1CC2(CN(Cc3ccccc3)C2)C1 2217385114 SBCQMZQTAJCYNE-KRWDZBQOSA-N 322.452 3.371 10 10 DGCE C[C@H](SC1CC(C(F)F)C1)C(=O)Nc1ccc(N)cc1 2241034967 OXJYWBGSHHEGBM-QTZUAFFRSA-N 300.374 3.373 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)C=Cc1ccc(O)cc1 2295015271 PUXLFGCNNKIFMB-UHFFFAOYSA-N 310.397 3.130 10 10 DGCE COc1ccc(O)c(CNC(=O)CC=Cc2ccccc2F)c1 2297808477 RNUMDEAWJOJVDB-UHFFFAOYSA-N 315.344 3.260 10 10 DGCE Cc1cncc(C=CC(=O)N2C[C@H](C)C(=O)Nc3ccccc32)c1 2302387003 ZVTOWBKICIJPDH-AWEZNQCLSA-N 321.380 3.025 10 10 DGCE Cc1ccc(C=C2SC(=S)N(C(C)(C)C(=O)O)C2=O)cc1 2323873236 ZEVLJUNLTMRPPR-UHFFFAOYSA-N 321.423 3.059 10 10 DGCE CC(C)n1ncc(Br)c1CN1CC[C@H](N=[N+]=[N-])C1 2319525659 IZDGHUBWWWHYOP-VIFPVBQESA-N 313.203 3.111 10 10 DGCE Cc1ccc(CNC[C@@H]2C3C[C@@H]4C2[C@@H]4C3)c(O)c1Br 2352675057 BSSUBEWFCDVEHT-ANNIKCPVSA-N 322.246 3.455 10 10 DGCE Cc1nc(/C=C2\SC(=S)N(c3cccnc3)C2=O)cs1 7166222 KGVWVJYABHYFQX-WZUFQYTHSA-N 319.436 3.252 10 10 DGCE COc1ccc(CCc2nccn2Cc2ccc(N)cc2)cc1 82734232 XSJCIOZSHRUBNJ-UHFFFAOYSA-N 307.397 3.307 10 10 DGCE CC[C@]1(C)CN(c2ccc(OC)c(Br)c2)CCN1 88331058 QSCKTQPUCMXMII-CQSZACIVSA-N 313.239 3.036 10 10 DGCE C[C@@](NCCN=[N+]=[N-])(C(=O)O)c1ccc(Cl)c(Cl)c1 90256422 NLSQEHHFINZZCS-NSHDSACASA-N 303.149 3.193 10 10 DGCE CCCN(CCC)c1ccc(CN2CCC3(C2)OCCO3)cc1 93013612 NQYDTMVOYSGTKN-UHFFFAOYSA-N 318.461 3.262 10 10 DGCE CCOc1cccc(CN2CC[C@H]3CC[C@@H](C2)N3C(C)C)c1O 93615106 FIKXNVFJUSHLRQ-SJORKVTESA-N 318.461 3.238 10 10 DGCE C[C@H](N)c1ccc(N(C)[C@@H]2CCO[C@@H]2C)c(Br)c1 159719835 ZSPCVNMAFNBCTQ-OPQQBVKSSA-N 313.239 3.082 10 10 DGCE CCN(Cc1ccccc1)C(=O)[C@H](C)Cc1ccc(O)c(O)c1 170245219 GRCUJSJVALHBLT-CQSZACIVSA-N 313.397 3.325 10 10 DGCE O=[N+]([O-])c1ccc(O)c(CN2CCC(C(F)(F)F)CC2)c1 173773220 MDOWVDQLRKIEPC-UHFFFAOYSA-N 304.268 3.075 10 10 DGCE Cc1cccnc1/C=C/C(=O)NCc1ccc(N2CCCC2)cc1 183367025 SHWSPDJDIYLCJZ-ZHACJKMWSA-N 321.424 3.320 10 10 DGCE Cc1cccc2c1OCC[C@@H]2NCc1cc2c(cc1O)OCO2 188945418 SMSYRPPJRJGMJN-AWEZNQCLSA-N 313.353 3.043 10 10 DGCE CCO[C@@H]1C[C@@H](NCc2ccccc2O)[C@H]1Oc1ccccc1 248577913 URCUZOJPNNQFTQ-BHIYHBOVSA-N 313.397 3.107 10 10 DGCE C[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccc(N(C)C)cc1 248710103 IXLYGSTUUNFSQQ-VIBAHUMZSA-N 300.446 3.361 10 10 DGCE CC(=O)NC1CCC(N[C@H](C)c2cc(Cl)ccc2O)CC1 273559488 HSZGGISXMQGAHL-GWMXKSKGSA-N 310.825 3.144 10 10 DGCE C[C@H](CCNCc1ccc(O)c(O)c1)N(C)Cc1ccccc1 379653885 GYDUWWMYQGFZTH-OAHLLOKOSA-N 314.429 3.098 10 10 DGCE C/C(=C\c1ccc(C)cc1)C(=O)NCCc1ccc(O)c(O)c1 588401415 OMYREKBZHRSHCC-SDNWHVSQSA-N 311.381 3.168 10 10 DGCE COC[C@@H](COc1ccc2c(c1)c1c(n2C)CCCC1)OC 664104025 CMIUKYKDABLUNV-AWEZNQCLSA-N 303.402 3.097 10 10 DGCE CC[C@H]1COC[C@H]1N(C)Cc1cc(Br)ccc1O 688186033 CXERMSIYJATINL-GXFFZTMASA-N 314.223 3.012 10 10 DGCE Brc1cc(CNC2CC2)ccc1N1CC[C@@H]2C[C@H]21 707086715 JSSGTWHSJXIIGT-IAQYHMDHSA-N 307.235 3.300 10 10 DGCE CNCc1ccc(N2CC[C@H](C(F)F)C2)cc1Br 707145776 HDIJKBYXSQRRCN-JTQLQIEISA-N 319.193 3.260 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCC[C@H]2CNCC[C@H]21 715023113 SDGVNTXCXFIRPI-IINYFYTJSA-N 315.244 3.273 10 10 DGCE CCCN(Cc1ccccc1O)Cc1cc(C(=O)OC)oc1C 727830978 ZKWNOMVJTCDWKG-UHFFFAOYSA-N 317.385 3.492 10 10 DGCE C[C@@H](CNC(=O)c1cc(O)cs1)c1nc2ccccc2o1 746700925 CSOUNOBVLVWVAF-VIFPVBQESA-N 302.355 3.128 10 10 DGCE Cc1ccc(O)c([C@@H](C)Nc2cccc([C@H]3CNC(=O)C3)c2)c1 757619539 QMSVZYHBAAQLLK-UKRRQHHQSA-N 310.397 3.477 10 10 DGCE Cc1cc(Cl)cc(CN[C@H]2Cc3cccc(O)c3C2)c1O 763477166 DGVWCWVCBDBEFQ-AWEZNQCLSA-N 303.789 3.317 10 10 DGCE C[C@@H](CC1CCC1)NCc1ccc(N2CCOCC2)c(F)c1 765119515 XVGCNAGLTSQRNZ-AWEZNQCLSA-N 306.425 3.331 10 10 DGCE CC[C@H](N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1cc(Cl)ccc1O 775527767 UMXVATQIYICFHB-WAZAZEMKSA-N 322.836 3.096 10 10 DGCE CO[C@@H](CCN[C@@H](C)c1ccc(N(C)C)cc1)C(F)(F)F 786953860 NPYOILYRWTZALZ-FZMZJTMJSA-N 304.356 3.371 10 10 DGCE Cc1ccnc(-c2noc(-c3ccc(-n4cccc4)c(F)c3)n2)n1 788478489 IVZIMRCZBJOLDK-UHFFFAOYSA-N 321.315 3.432 10 10 DGCE C[C@H](NCc1ccc2c(c1)CCN2Cc1ccccc1)[C@@H](C)CO 796311235 VYNCZXYAKJENPV-IRXDYDNUSA-N 324.468 3.356 10 10 DGCE CN(C)c1ccc(CNC(=O)N2CCCC[C@@H]2C(F)F)cc1 800007685 JMRCKGGSCMSTIM-CQSZACIVSA-N 311.376 3.082 10 10 DGCE CCOc1cccc(CN2C[C@@H](C)O[C@](C)(C(F)F)C2)c1O 827962995 XRAKHRXBNBADEU-BZNIZROVSA-N 315.360 3.035 10 10 DGCE C[C@H]1C[C@H](NCC2(CF)CCOCC2)c2c(O)ccc(F)c21 834885722 NDRKCFFUESOEKK-AAEUAGOBSA-N 311.372 3.436 10 10 DGCE CN(C)c1ccc(/C=C/CNc2cnc3c(c2)COCC3)cc1 835042764 LKXSANRODOXYHT-ONEGZZNKSA-N 309.413 3.346 10 10 DGCE COC[C@H](C)n1ccc(NC/C=C/c2ccc(N(C)C)cc2)n1 835047190 ZZSZCTDNJZKLNO-NFAHFFEMSA-N 314.433 3.282 10 10 DGCE CN(C)c1ccc(/C=C/CN2CC(C3CCOCC3)C2)cc1 835049065 FCNVJOBEEYSLMX-ONEGZZNKSA-N 300.446 3.124 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCC=CCCC1 907274075 OJTGVWDHGHFUKW-UKRRQHHQSA-N 303.402 3.282 10 10 DGCE CCN(CC)c1ccc(CNC(=O)COC(C)(C)CC)cc1F 1136730214 GTDQGCPWFJZTGG-UHFFFAOYSA-N 324.440 3.493 10 10 DGCE CCN(CC)c1ccc(CNC(=O)Cc2ncc(C)s2)cc1 1141868994 QKUIDRQNAYVKDZ-UHFFFAOYSA-N 317.458 3.157 10 10 DGCE c1ccc2c(c1)C[C@@H](NCc1ccc(N3CCCC3)cc1)CN2 1327240400 LJDYBTCGSBSDOD-GOSISDBHSA-N 307.441 3.413 10 10 DGCE CCCCc1ccc(CC(=O)NCc2cccc(O)c2O)cc1 1352657799 KXRYSONCWFZOGH-UHFFFAOYSA-N 313.397 3.299 10 10 DGCE c1cc(N2CCCC2)ccc1CNC[C@@H]1CC[C@@H](C2CC2)O1 1355362025 IFOBRMQTVAKSHM-OALUTQOASA-N 300.446 3.334 10 10 DGCE O=C(NCc1ccc(N2CCCC2)cc1)c1cccc(O)c1F 1464076920 UPIRZWFOVXCZAS-UHFFFAOYSA-N 314.360 3.062 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(OC)c(C)c1 1467841211 UAHJJQNYTTUMRM-UHFFFAOYSA-N 320.385 3.125 10 10 DGCE CCc1nocc1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1531706983 YSRJYTUPSIRFQH-UHFFFAOYSA-N 313.401 3.109 10 10 DGCE CCNC(=O)c1cc(Cl)ccc1NC(=O)c1cc(O)cs1 1584956493 NRKBHYPUFJIDFQ-UHFFFAOYSA-N 324.789 3.109 10 10 DGCE COC(=O)Nc1cccc(C(=O)N[C@@H](C)c2ccccc2O)c1 1643742085 NTQGFUKKXNYRHD-NSHDSACASA-N 314.341 3.062 10 10 DGCE Cc1ccc2c(CCC(=O)NCc3cc(O)ccc3O)c[nH]c2c1 1651225556 OJXISCXJNCRFAN-UHFFFAOYSA-N 324.380 3.137 10 10 DGCE CCOC(=O)CCCCN1CCCc2cc(OC)cc(OC)c21 1659012600 MOKOQJJGNBXDOO-UHFFFAOYSA-N 321.417 3.190 10 10 DGCE O=C(NCc1ccccc1O)N[C@@H](CF)c1ccc(F)cc1 1684844308 RLPVQWDYHULVBT-AWEZNQCLSA-N 306.312 3.041 10 10 DGCE CCOC(=O)CCN(CC)/N=N/c1ccc(C(=O)OCC)cc1 1860480621 AMZATRVBHJQLNT-ISLYRVAYSA-N 321.377 3.137 10 10 DGCE c1ccc(COc2ccc(N3CC[C@H]4CNC[C@H]4C3)cc2)cc1 1899880591 ZMDQXPRBPUTRNT-ROUUACIJSA-N 308.425 3.311 10 10 DGCE OCc1cc(F)c(N(Cc2ccccc2)[C@@H]2CCOC2)c(F)c1 1915435534 AYKBASQHNVGHCK-OAHLLOKOSA-N 319.351 3.253 10 10 DGCE C[C@H](NCCc1ccncc1Br)c1ccccc1O 1927145063 SRWOUSRBQHSALN-NSHDSACASA-N 321.218 3.443 10 10 DGCE C[C@H]1CN(CCCN=[N+]=[N-])C[C@@H](C)N(C(=O)OC(C)(C)C)C1 1962305689 URKDHRQCFPPILZ-QWHCGFSZSA-N 311.430 3.264 10 10 DGCE CC(C)(C)OC(=O)NC[C@@]12CCC[C@H]1CCN2CCCN=[N+]=[N-] 1991821872 UFZRJTZHADXJDT-BBRMVZONSA-N 323.441 3.456 10 10 DGCE OCc1ccc(N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1 1999620196 VXBGGGLTCWKOMI-OAQYLSRUSA-N 322.452 3.281 10 10 DGCE CN(c1ccc(CO)c(Br)c1)C1CC(C(F)F)C1 2035705182 KJUBSBNUGPXMFF-UHFFFAOYSA-N 320.177 3.421 10 10 DGCE NCc1ccc(N2C[C@H]3CC[C@H](C3)C2)c(F)c1Br 2035710622 SYANWUZYEKBONN-AOOOYVTPSA-N 313.214 3.283 10 10 DGCE Cc1ccc(OCc2nc(C)ccc2Br)c(N)n1 2049902223 VULPDEXJNGFHME-UHFFFAOYSA-N 308.179 3.017 10 10 DGCE C[C@@H](c1ccc(F)cc1O)n1nc(-c2ccccc2)cc1CO 2070168615 GLCVOZKUICIUKK-LBPRGKRZSA-N 312.344 3.496 10 10 DGCE CN[C@@H](C)c1ccc(N(C)CC2(Br)CC2)cc1O 2076251559 YGRORWDZBVIYDQ-JTQLQIEISA-N 313.239 3.036 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(S(=O)(=O)CC2CCCCC2)CC1 2155552945 RFHQVCQJPIDKIO-CYBMUJFWSA-N 300.428 3.061 10 10 DGCE CP(C)(=O)[C@@H]1CCCCN1c1ccc(CN)c(F)c1F 2164549654 IQIWEUULJRPKFV-GFCCVEGCSA-N 302.305 3.363 10 10 DGCE NCc1cc(F)c(N2CCC[C@H]2c2nncs2)cc1Cl 2204710688 VPNHZOSCDZBICX-NSHDSACASA-N 312.801 3.131 10 10 DGCE CC[C@@H](Nc1c(N)cccc1Br)[C@@H](C)CN(C)C 2260295749 ZPCQQWFLBXMEHL-GXFFZTMASA-N 314.271 3.420 10 10 DGCE COc1cccc2ccc(C=C3SC(=S)N(C)C3=O)nc12 2296601243 RMCKGHOYOMUUHO-UHFFFAOYSA-N 316.407 3.074 10 10 DGCE Oc1cnn2c1CN(c1ccc(OCc3ccccc3)cc1)CC2 2299524407 CUHPURCJMNOVFB-UHFFFAOYSA-N 321.380 3.188 10 10 DGCE CCN(CCN=[N+]=[N-])C(=O)c1cccc(F)c1Br 2315987504 UWVCSBSAVJGEHM-UHFFFAOYSA-N 315.146 3.361 10 10 DGCE COCCNCc1cnc(SCC[C@@H](C)C(F)F)s1 2338639125 ZCCANIWNQHRGQM-SECBINFHSA-N 310.435 3.263 10 10 DGCE CSc1ncc(CN[C@@](C)(C(=O)O)[C@H](C)C(C)C)s1 2349507459 GWCBRYGMJIMMEI-NOZJJQNGSA-N 302.465 3.090 10 10 DGCE CCN(Cc1ccc(N)cc1)S(=O)(=O)c1ccccc1Cl 35361235 DKZCWTSZPRTORB-UHFFFAOYSA-N 324.833 3.133 10 10 DGCE CN(C(=O)c1cc(F)cc(Br)c1)c1ccc(N)cc1 37025755 OSSBRJGAZANWLA-UHFFFAOYSA-N 323.165 3.447 10 10 DGCE Cc1csc(CCNCc2ccc3c(c2)CCCN3C)n1 62103932 QOINFWOKMXOBIL-UHFFFAOYSA-N 301.459 3.166 10 10 DGCE COc1ccc(Cl)cc1-c1cn(-c2ccc(N)cc2)nn1 75495656 UIRFVRLCPXCFGE-UHFFFAOYSA-N 300.749 3.179 10 10 DGCE Nc1ccc(NC(=O)CCOCc2ccc(Cl)cc2)cc1 87092908 DBCJPTRXWACVAG-UHFFFAOYSA-N 304.777 3.468 10 10 DGCE Oc1ccc(Cl)cc1CN1CC[C@H](CNc2ccccn2)C1 92812627 TUSFMOCCJJTBOZ-CYBMUJFWSA-N 317.820 3.375 10 10 DGCE COc1ccc(N2C[C@@H](CC(C)(C)C)C[C@@H](N)C2)cc1OC 108212087 ITKUGAXZZXPZJE-ZIAGYGMSSA-N 306.450 3.294 10 10 DGCE CN1CCCc2cc(CNC(=O)N3C[C@H]4CCC[C@H]4C3)ccc21 119304320 LCBGNJKLLCMYHV-CALCHBBNSA-N 313.445 3.011 10 10 DGCE CN1CCC[C@H](N(C)Cc2cc(Cl)cc(Cl)c2O)C1 133788680 FVUXJVCQTVJKDF-LBPRGKRZSA-N 303.233 3.225 10 10 DGCE CCc1noc(C)c1NC(=O)NCc1ccc(N(C)C)c(F)c1 155745356 RAHVEBLWEIWTLA-UHFFFAOYSA-N 320.368 3.072 10 10 DGCE CN(Cc1ccc(N)cc1)C(=O)[C@H]1CCCc2sccc21 168233437 JUZUHDXEFRCEFE-HNNXBMFYSA-N 300.427 3.409 10 10 DGCE COc1ccc(O)c(CN2C[C@H](c3ccccc3)OC[C@H]2C)c1 180021848 FIMHPVSPNJSPDG-AUUYWEPGSA-N 313.397 3.363 10 10 DGCE Oc1ccc(F)cc1CN1C[C@H](O)C[C@@H]1c1cc(F)ccc1F 180287033 KLASXULQUTVEGO-CZUORRHYSA-N 323.314 3.117 10 10 DGCE Cc1ccc(O)c([C@H](C)N[C@H]2CCc3nc(C(C)C)nn3C2)c1 185996623 XQZKRKAVVIPPFZ-KBPBESRZSA-N 314.433 3.081 10 10 DGCE CC[C@@H](CNC(=O)OC(C)(C)C)N[C@H](C)c1c(O)cccc1O 233868592 JXOBUOOQGQSLEE-NEPJUHHUSA-N 324.421 3.052 10 10 DGCE C[C@H](NCCCN(C)Cc1ccccc1)c1c(O)cccc1O 303994222 DBWHKUAKPDRVQT-HNNXBMFYSA-N 314.429 3.271 10 10 DGCE CNCc1ccc(N2CC[C@@H](OCc3ccccc3)C2)c(C#N)c1 384092003 KHEDPHFKLWMHJV-LJQANCHMSA-N 321.424 3.073 10 10 DGCE C[C@H]1CN(c2ccc(OC(F)(F)F)c(Cl)c2)CCCN1 401292823 MJVDLKXAGBFNLM-VIFPVBQESA-N 308.731 3.427 10 10 DGCE O=C(O)/C=C/c1ccc(N2CC[C@H](F)C2)cc1Br 689862981 IHPBWRSESQKKAJ-YWNRKNDBSA-N 314.154 3.095 10 10 DGCE Oc1cccc(Br)c1CNCC1(C(F)F)CC1 706804215 DFKRYGSZLHNBRA-UHFFFAOYSA-N 306.150 3.290 10 10 DGCE C[C@H](O)c1ccc(N2CCS[C@@H](C(F)(F)F)C2)c(F)c1 721381466 DKYLDTALLJZTGA-QPUJVOFHSA-N 309.328 3.363 10 10 DGCE O=C(O)[C@H](O)c1sc2cccc(SC(F)(F)F)c2c1O 725308279 PHDNPBKHIATITF-MRVPVSSYSA-N 324.301 3.337 10 10 DGCE CCN(Cc1ccc(OC)nc1)c1ccc(OC)c(OC)c1 754638692 CXSGIEYJHCGAIE-UHFFFAOYSA-N 302.374 3.134 10 10 DGCE Oc1cc2c(cc1CN1CCOCC3(CCCC3)C1)CCC2 774656676 WWHSREHKILHVLB-UHFFFAOYSA-N 301.430 3.274 10 10 DGCE CC[C@H](NCc1nc(-c2ccccc2)n[nH]1)c1ccccc1O 775542337 NSNZAYHQDWQQOS-HNNXBMFYSA-N 308.385 3.418 10 10 DGCE Cn1cc(/C=C/C(=O)N(Cc2ccccc2)c2ccncc2)cn1 779363446 IXLUHHHFLLBKTQ-BQYQJAHWSA-N 318.380 3.062 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H]2CCC(F)(F)C2)c1 797942945 LTJZTRMIFRJQKW-MNOVXSKESA-N 313.344 3.404 10 10 DGCE FC(F)O[C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1 802658823 RDCOUYSNNRFHAQ-INIZCTEOSA-N 310.388 3.490 10 10 DGCE CCN(CC)c1ccc(CNC(=O)NC2C[C@H]3C[C@@H]3C2)cc1 822718100 ZOBVSEAMOPUGOJ-HUUCEWRRSA-N 301.434 3.131 10 10 DGCE CCC(C)(C)NC(=O)CN(CC1CC1)c1ccc(OC)cc1 831582923 KSWNUQGMHVOUEX-UHFFFAOYSA-N 304.434 3.216 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCC[C@@H](N(C)C)CC2)cc1 835049258 PIUQKFIJCGGTAM-SUQGKYDKSA-N 301.478 3.182 10 10 DGCE Cc1cc(C)c([C@H](C)NC[C@H](C)N2C[C@H](C)O[C@H](C)C2)c(O)c1 848556945 DNLMPUVQQSEJLU-NXOAAHMSSA-N 320.477 3.157 10 10 DGCE Cc1ccc(O)c(CNCc2ncc(C(F)(F)F)s2)c1 858240052 ZWCXBKXSLOQWEN-UHFFFAOYSA-N 302.321 3.466 10 10 DGCE C[C@H]1C[C@H]1COC(=O)c1csc(Cc2ccc(N)cc2)n1 859633300 XNCRRLPULXGBIA-JQWIXIFHSA-N 302.399 3.129 10 10 DGCE CCOc1cccc(CN2CC[C@H](c3ccc(O)cc3)C2)c1O 862540130 ADBBEKUZTVFZDX-HNNXBMFYSA-N 313.397 3.486 10 10 DGCE C[C@H](NC(=O)NCc1nc(C2CC2)cs1)c1ccccc1O 868412930 MCULUWYOOZWMOB-JTQLQIEISA-N 317.414 3.287 10 10 DGCE O=C([C@@H]1C[C@@H]1c1cc(F)ccc1F)N1Cc2cccc(O)c2C1 871202479 IMYHXWHEODKGCG-TZMCWYRMSA-N 315.319 3.316 10 10 DGCE Oc1c(F)cc(Br)cc1CN1CC[C@H]1C1CC1 894882828 LSALFFCBTJVNGU-LBPRGKRZSA-N 300.171 3.278 10 10 DGCE CCc1[nH]nc(Cl)c1CN[C@@H](C)c1cc(OC)ccc1O 922217693 VOQCWQJVDQHAPD-VIFPVBQESA-N 309.797 3.191 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@H]2c3ccccc3CC[C@H]2O)c1 927138909 IDMFCPQRLHXNOY-RQUSPXKASA-N 313.397 3.100 10 10 DGCE Cc1cc(Br)cc(NCc2c(O)cccc2O)n1 1187717107 QGBLHYQEXBMQTN-UHFFFAOYSA-N 309.163 3.176 10 10 DGCE Cc1cc(F)ccc1[C@@H](C)NC(=O)NCc1ccccc1O 1248527233 DLWRLEZNLWYGMT-GFCCVEGCSA-N 302.349 3.400 10 10 DGCE COC[C@H](N[C@@H]1C[C@@H](C)c2c(C)ccc(O)c21)C1CCOCC1 1346869370 QYXJJYZIGCBSJN-BMFZPTHFSA-N 319.445 3.280 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CCCS1 1349116561 BGLQGLNPGFMLPE-MRXNPFEDSA-N 304.459 3.141 10 10 DGCE COC(=O)c1ccc2nc(CSc3nccs3)[nH]c2c1 1458909784 IOMCPEHMBHMLKO-UHFFFAOYSA-N 305.384 3.098 10 10 DGCE C[C@H](CC(=O)c1ccc(F)cc1)C(=O)NCc1ccccc1O 1465990336 IMBIAXYNJZNFNS-GFCCVEGCSA-N 315.344 3.057 10 10 DGCE COC(=O)c1cc(OCCSC(F)(F)F)ccc1N(C)C 1473077411 SXKNIOSUNOMHPM-UHFFFAOYSA-N 323.336 3.171 10 10 DGCE Cc1ccc(C(=O)NC2CCC2)cc1-n1c(C)cc(C=O)c1C 1556940498 PYMLHWQBZVEVTR-UHFFFAOYSA-N 310.397 3.497 10 10 DGCE CNc1ccc(C(=O)NCc2ccc(N(C)C)cc2C)cc1F 1633340577 JSKOHAXZDXRESM-UHFFFAOYSA-N 315.392 3.172 10 10 DGCE C[C@@H](NC(=O)c1cc(C(F)(F)F)ccn1)c1ccccc1O 1642827246 FEYJKQNUIBGOGN-SECBINFHSA-N 310.275 3.297 10 10 DGCE C[C@@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccccc1O 1648892250 SIINHHXECCUURS-YPUOHESYSA-N 311.337 3.012 10 10 DGCE COc1ccc(N(C)C[C@H]2CC[C@@H](C(F)(F)F)O2)c(OC)c1 1652957671 NDKVNVLTXZSKHA-RISCZKNCSA-N 319.323 3.250 10 10 DGCE COc1ccc(N(CCc2ccc(C(N)=O)cc2)CC2CC2)cc1 1654494674 BFQXHNQSQQQGLW-UHFFFAOYSA-N 324.424 3.253 10 10 DGCE CCOC(=O)/C=C\CN1CCCc2cc(OC(F)F)ccc21 1657590338 SYYMZVHFJXAPDO-XQRVVYSFSA-N 311.328 3.160 10 10 DGCE NC(=O)C1CCN(/N=N/c2ccc(Cl)c(Cl)c2)CC1 1860489517 QYTUSOPSCAOXLE-WUKNDPDISA-N 301.177 3.189 10 10 DGCE CO[C@@]1(CNCc2cccc(Cl)c2O)CCCSC1 1879922427 VHRYFFUETWSLGJ-CQSZACIVSA-N 301.839 3.047 10 10 DGCE CN(CCCN=[N+]=[N-])S(=O)(=O)c1cc(Cl)cc(Cl)c1 1912187021 DSGPKWPICGWRJK-UHFFFAOYSA-N 323.205 3.314 10 10 DGCE CN[C@H](c1ccccc1O)[C@H]1C=C[C@H](NC(=O)OC(C)(C)C)C1 1936971951 BVPOKIWGXBAWQB-XEZPLFJOSA-N 318.417 3.122 10 10 DGCE OCc1ccc(N2CCCC[C@H](F)C2)c(Br)c1 1946903019 FPTOLHUNLNHIOI-NSHDSACASA-N 302.187 3.270 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CN(CCCCN=[N+]=[N-])C(C)(C)C1 1962302585 ALIZMQADVCXCNM-LBPRGKRZSA-N 311.430 3.455 10 10 DGCE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1Cc1ccc(N)cc1 1977927074 SUGWTKHYHWWMLO-CZUORRHYSA-N 319.449 3.146 10 10 DGCE CN1CCc2cc([C@]3(N)CC[C@@H]3OCc3ccccc3)ccc21 1977938069 GBUYAKDWWRUNLL-VQTJNVASSA-N 308.425 3.212 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@@H]32)c(Br)c1 2053731589 XHJXOKOKMADWCO-FEHBXSEYSA-N 308.219 3.347 10 10 DGCE C[C@H]1OCC[C@H]1CN(C)Cc1cc(Br)ccc1O 2057470790 YIRDTMMZQRGNLS-MNOVXSKESA-N 314.223 3.012 10 10 DGCE CC(C)(F)C1CN(c2ccc(CN)c(Br)c2F)C1 2058551679 JHHIDWCTAXKLCX-UHFFFAOYSA-N 319.193 3.231 10 10 DGCE CN(C[C@@H]1C[C@@H]1CF)c1cc(Br)c(CN)cc1F 2071382538 QYAYEHVWTBJSQH-SCZZXKLOSA-N 319.193 3.089 10 10 DGCE Cc1cc(O)c([C@H](n2nc(C)c(CO)c2N)C(C)(C)C)cc1C 2079938816 HOZPBJNANYPRFS-INIZCTEOSA-N 317.433 3.224 10 10 DGCE CC[C@H]1CC[C@H](CNCc2c(O)cccc2Br)O1 2081665557 DDXISPVFCKGIFQ-WDEREUQCSA-N 314.223 3.202 10 10 DGCE COc1cccc(O)c1CNCc1cccc(Br)c1 2104443409 YXYIYMZQCZEAFX-UHFFFAOYSA-N 322.202 3.453 10 10 DGCE Oc1c(CN[C@H]2CS[C@@H](C(F)(F)F)C2)ccc(F)c1F 2189246998 WAOCDRAJMNZICF-VXNVDRBHSA-N 313.291 3.196 10 10 DGCE CN[C@@H](C)c1cc(F)c(N2CCSC[C@@H](C)C2)c(F)c1 2194707247 CSXLDXXBFSKBOO-QWRGUYRKSA-N 300.418 3.435 10 10 DGCE Cc1cnc(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])c(Br)c1 2225791600 FUWONGZMGIZSAD-ZJUUUORDSA-N 324.182 3.114 10 10 DGCE CN(c1ccc(N)cc1)[C@H]1CN(C(=O)OC(C)(C)C)CC12CC2 2244508957 CZHRTAVRZKATEM-HNNXBMFYSA-N 317.433 3.105 10 10 DGCE Oc1cc(Br)ccc1CN[C@H]1CCC[C@@H]1CF 2251056320 HQHKGPFXDXSAQD-SKDRFNHKSA-N 302.187 3.383 10 10 DGCE Nc1ccc(CCC[S@](=O)CC2(C(F)(F)F)CC2)cc1 2281239384 SCKBERPVPIEEFP-FQEVSTJZSA-N 305.365 3.293 10 10 DGCE CCOc1ccc(C=C2SC(=S)N(C)C2=O)cc1OCC 2296674911 FSEVEMAHKDIDRY-UHFFFAOYSA-N 323.439 3.315 10 10 DGCE CN1C(=O)C(=Cc2cccc3c2OC(C)(C)C3)SC1=S 2297615745 DJUVNECOKLTRCH-UHFFFAOYSA-N 305.424 3.231 10 10 DGCE OCc1ccc(N2CC[C@](F)(C(F)F)C2)c(Br)c1 2315959732 NQPPBTBLASLETF-GFCCVEGCSA-N 324.140 3.125 10 10 DGCE CC[C@@](C)(CCO)NCc1ccc(C)c(Br)c1O 2327625002 XNRXYJZAIKXHHC-AWEZNQCLSA-N 316.239 3.104 10 10 DGCE COc1ccc(C[C@H](N)c2ccccc2O)c(Br)c1 2338880081 JEBBUZQKDRFOAY-AWEZNQCLSA-N 322.202 3.406 10 10 DGCE CCCN[C@](CSc1nccs1)(CC1CCC1)C(=O)O 2366459487 YTQHROSCTRLQNE-AWEZNQCLSA-N 314.476 3.248 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)Cc2ccc(C)s2)c1 103529307 HLXIXZHTDYYYKW-LLVKDONJSA-N 305.399 3.191 10 10 DGCE CO[C@H](C)c1nc(C)c(C(=O)N(C)Cc2ccccc2O)s1 175239626 SWYFZBQGKUQHLI-LLVKDONJSA-N 320.414 3.137 10 10 DGCE NCc1ccc(N2CC[C@@H](C(F)(F)F)C2)cc1Br 302515683 ZVQFRSPPPCAGBQ-SECBINFHSA-N 323.156 3.296 10 10 DGCE Cc1cc(CN(C)CC(=O)NC(C)(C)C)c(O)c(C(C)(C)C)c1 111889510 FNCIGZKMQFDHSJ-UHFFFAOYSA-N 320.477 3.345 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1C[C@H]2[C@@H]1[C@@H]1CC[C@H]2O1 2356935082 TZOVNHAIEUYQIC-KVRLPLMBSA-N 314.212 3.355 10 10 DGCE Cc1cccc(N2C(=O)/C(=C\c3ccoc3)C(O)=NC2=S)c1 33314787 DUSVUOAQUPAZER-JYRVWZFOSA-N 312.350 3.260 10 10 DGCE Cc1cccc(CN2CCN(c3nc4ccccc4o3)CC2)c1O 180082981 JQPHDCMVZUUUGN-UHFFFAOYSA-N 323.396 3.164 10 10 DGCE Nc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 34955880 SWHQTPSVQMAICF-UHFFFAOYSA-N 317.197 3.376 10 10 DGCE Cc1ccc2nc(C(=O)O)c(/N=N\c3ccc(C(=O)O)cc3)n2c1 71590190 VIHAKZSFZZYOBZ-HNENSFHCSA-N 324.296 3.455 10 10 DGCE CC(C)NCc1c(C(F)F)nn(C)c1Sc1nccs1 2365249296 ASVFCLPIXXZITQ-UHFFFAOYSA-N 318.418 3.463 10 10 DGCE COc1cc(Cl)cc(CNC[C@@]2(O)CCC[C@H](C)C2)c1O 228674401 RZCVLIWOENHOLT-MEDUHNTESA-N 313.825 3.085 10 10 DGCE COc1ccccc1S[C@H](C)C(=O)Nc1ccc(N)cc1 41030500 WBQOJPCKKCUTSN-LLVKDONJSA-N 302.399 3.397 10 10 DGCE COc1cc(Cl)cc(CN[C@@H]2COc3ccccc32)c1O 228673745 MDUJETJSTBLPIH-CYBMUJFWSA-N 305.761 3.278 10 10 DGCE COc1ccc(O)c([C@@H](C)NC[C@H]2CCCN(C(C)C)C2)c1 248527673 VRNFCQFVBSHSEP-HUUCEWRRSA-N 306.450 3.172 10 10 DGCE CN[C@H](C)c1ccc(N2CCCN3CCC[C@H]3C2)cc1Cl 251493488 DGICEDCLRZZYNB-HIFRSBDPSA-N 307.869 3.295 10 10 DGCE C[C@@H](N[C@H](C)c1ccc(Br)cc1O)c1cn[nH]c1 273514771 SIVAWAFUYLRBBT-RKDXNWHRSA-N 310.195 3.290 10 10 DGCE C[C@H](N[C@@H]1CCNC[C@H]1C)c1ccc(Cl)c(Cl)c1O 817970789 FGLPYRMPUWVQGA-VDDIYKPWSA-N 303.233 3.348 10 10 DGCE CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CC[C@@H](OC)C2)cc1 819974531 NTEKFEFXEPWFKB-FUHWJXTLSA-N 318.461 3.306 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)C[C@H](C)n2cccc2)c1 729535888 WGWLYPNQPHNIAP-STQMWFEESA-N 302.374 3.031 10 10 DGCE COc1c([N+](=O)[O-])ccc(CN2CCC[C@@H](C3CCC3)C2)c1O 827627008 LUFUZIFZHYOPIY-CYBMUJFWSA-N 320.389 3.321 10 10 DGCE C[C@@H]1CN(C(=O)c2cc(O)cs2)C[C@@H](c2ccc(F)cc2)O1 743637687 LYELGQOZFWEHFK-YGRLFVJLSA-N 321.373 3.195 10 10 DGCE CCCN(CCC)c1ccc(CNCCN2CCCC2)cc1 920957147 KTQBKXPRHIOVOJ-UHFFFAOYSA-N 303.494 3.498 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)NCC2(C)C[C@@H]3C[C@H]3C2)c1 858890469 KDNYQFBZSSSZDU-AVGNSLFASA-N 318.417 3.197 10 10 DGCE COc1ccc(N2CC[C@@H](Nc3ncnc4ccccc34)C2)cc1 853758577 HSHFGWKBPJXWHM-CQSZACIVSA-N 320.396 3.329 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1CC12CCCC2 759324690 XYECWOMPYPOSAD-KRWDZBQOSA-N 314.429 3.403 10 10 DGCE [N-]=[N+]=NCCCNC(=O)COc1cc(Cl)ccc1Cl 701271255 UALJYUILVHGRGY-UHFFFAOYSA-N 303.149 3.189 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)c3cc(C)ccc3C)C2)cc1 855234843 ODRIPLXWPUKZFN-INIZCTEOSA-N 324.424 3.321 10 10 DGCE COC[C@H](CCNCc1cc(-c2ccccc2)ccc1O)OC 850345222 OQBVWPMUFAZVLF-SFHVURJKSA-N 315.413 3.200 10 10 DGCE CN1Cc2ccccc2[C@H]1CNCc1c(O)cccc1Cl 865806954 UZGSCUMUVXNIFQ-MRXNPFEDSA-N 302.805 3.322 10 10 DGCE C[C@@H](NC[C@H]1CCC12CCOCC2)c1cc([N+](=O)[O-])ccc1O 866528965 LFSQUEDTKFZJOI-CHWSQXEVSA-N 320.389 3.158 10 10 DGCE CC(C)(C)n1cc(NC(=O)NCc2cccc(Cl)c2O)cn1 1119760339 GBSYOUPCWGMLND-UHFFFAOYSA-N 322.796 3.319 10 10 DGCE CC[C@@H](N[C@H]1CCCNC1=O)c1ccc(Cl)c(Cl)c1O 775500699 XDHKOKYYPCMZGD-MNOVXSKESA-N 317.216 3.018 10 10 DGCE C[C@H]1C[C@@H](C)CN(C(=O)NCc2ccc(N(C)C)cc2)[C@@H]1C 788690282 HYTKCSUDOSMQSI-QLFBSQMISA-N 303.450 3.329 10 10 DGCE CCCNc1nc(-c2cn(-c3ccc(N)cc3)nn2)c(C)s1 887364321 GYZUDPSSCLPFNV-UHFFFAOYSA-N 314.418 3.103 10 10 DGCE C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1ccccn1 1136180715 LIOPFJXDOJXJKM-HNNXBMFYSA-N 323.440 3.442 10 10 DGCE CCO[C@H](C(=O)NCc1cc(Cl)ccc1O)c1ccccc1 1300402271 XQVDPNUZDVUISP-INIZCTEOSA-N 319.788 3.440 10 10 DGCE CC[C@H](CO)CN[C@H](CC)c1cc(Br)ccc1O 1964486844 UDHUAPJCOXQFTE-GXFFZTMASA-N 316.239 3.214 10 10 DGCE C[C@H]1CN(c2ccc([C@@H](C)N)cc2Br)C[C@H](C)O1 61694006 POUXBMCNMNWGDM-GARJFASQSA-N 313.239 3.082 10 10 DGCE CCC(=O)C1(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)CC1 1540488625 YCIFIYJNZCYRJE-UHFFFAOYSA-N 314.429 3.005 10 10 DGCE C[C@@H](NC(=O)C(=O)c1ccc(Cl)cc1)c1ccccc1O 1557966498 DURGJIMFIVNKLY-SNVBAGLBSA-N 303.745 3.106 10 10 DGCE C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)[C@@H]1CC2CCC1CC2 1557324077 JMDFIUZWDFCBAY-NWYIXUTMSA-N 315.413 3.442 10 10 DGCE C[C@H](c1ccccc1)N(C(=O)Cc1ccc(O)c(O)c1)C1CC1 1635084457 NJKUWJLNUWGDQW-CYBMUJFWSA-N 311.381 3.393 10 10 DGCE CN(Cc1ccccc1O)C(=O)c1ccccc1-n1cccc1 1635658492 XTIVBYXWUFAMQC-UHFFFAOYSA-N 306.365 3.455 10 10 DGCE [N-]=[N+]=NC[C@H]1CCN(C(=O)c2nc(Cl)ccc2Cl)C1 1912162650 YSCCLYVCBZPFAY-SSDOTTSWSA-N 300.149 3.161 10 10 DGCE CS[C@H](C)CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1 1633499721 OMGKQTWGAZIMAP-CQSZACIVSA-N 321.490 3.180 10 10 DGCE C[C@@H](CN1CCC(N=[N+]=[N-])CC1)C(=O)OCc1ccccc1 1912207057 IYACURKBXFZFGL-ZDUSSCGKSA-N 302.378 3.141 10 10 DGCE CCCOc1nc(C)ccc1C(=O)N[C@H](C)c1ccccc1O 1648889908 RDXYKVURJYNWHI-CYBMUJFWSA-N 314.385 3.375 10 10 DGCE C[C@H](NC(=O)COc1cccc(Cl)c1)c1ccccc1O 1587447725 ZOQNHABGRZESGS-NSHDSACASA-N 305.761 3.302 10 10 DGCE COc1ccc(CNC[C@@H](C)N(C)C(=O)CCC(C)C)cc1C 1698814223 OJZHDPXKEMPZGH-MRXNPFEDSA-N 320.477 3.376 10 10 DGCE CC/C=C(/C)C(=O)NCC[C@@H](C)NCc1ccc(OC)c(C)c1 1690833285 BLINVRNJWDAAIJ-ACQAZONXSA-N 318.461 3.344 10 10 DGCE CC[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CCN1C 211519477 RAPGBYXIZIHWSZ-GFCCVEGCSA-N 303.233 3.225 10 10 DGCE CN(CCc1ccc(N)cc1)CC(C)(C)NC(=O)OC(C)(C)C 1977896193 JZLZLIZDHVWANA-UHFFFAOYSA-N 321.465 3.046 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCCN2CCCN=[N+]=[N-])C1 1982248758 YCZBAEHIZHPTGR-UONOGXRCSA-N 323.441 3.408 10 10 DGCE Nc1ccc(F)c(NC(=O)CCCSc2nccs2)c1 40676498 CEKHNZNAYJREMD-UHFFFAOYSA-N 311.407 3.375 10 10 DGCE C[C@H](O)c1ccc(N2CC[C@@H]2C(F)F)cc1Br 2004491503 UXENBCKSCUZOSR-WRWORJQWSA-N 306.150 3.346 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@H]3C[C@H]2[C@H]2C[C@@H]32)c(Br)c1 2041531839 CTWIJFZGOBJDKG-SCGWIAOYSA-N 307.235 3.313 10 10 DGCE Oc1cc(Br)ccc1CN1CC[C@H](C(F)F)C1 707168287 PWFCUTUZUZXNHV-VIFPVBQESA-N 306.150 3.242 10 10 DGCE C[C@@H](CNCc1c(O)cccc1Br)[C@H]1CCCO1 720608606 JPUXLNJFMUEYRA-IINYFYTJSA-N 314.223 3.059 10 10 DGCE C[C@H]1C[C@H]2CN(Cc3cc(Cl)cc(Cl)c3O)CCN2C1 2181243063 RUYCFESHPYCEKP-GWCFXTLKSA-N 315.244 3.225 10 10 DGCE Cc1cc(O)c([C@@H](C2CC2)n2nc(C3CC3)c(N)c2N)cc1C 2079983529 CNSLGGIFCCTIGT-QGZVFWFLSA-N 312.417 3.247 10 10 DGCE CN[C@@H](C)c1ccc(N2CC=C[C@H]2CF)c(Br)c1 2082869860 BEGIYPUCRJQCKC-JQWIXIFHSA-N 313.214 3.444 10 10 DGCE CN(Cc1cccc(N)c1)Cc1ccc(Br)cc1O 2092470621 XIFKERZNLKPKSK-UHFFFAOYSA-N 321.218 3.369 10 10 DGCE C[C@]12C[C@H]1CN(c1ccc(C=CC(=O)O)c(Br)c1)C2 2096037950 KLQADPRJAFSKQQ-XHDPSFHLSA-N 322.202 3.393 10 10 DGCE CN[C@H](C)c1ccc(N2CC(OC(F)(F)F)C2)c(Cl)c1 2237637300 OYSXKVPKWCXVLB-MRVPVSSYSA-N 308.731 3.345 10 10 DGCE [N-]=[N+]=NC[C@H]1CCN(C(=O)c2c(Cl)cncc2Cl)C1 2227694780 DBWHUXFLDQOCIS-SSDOTTSWSA-N 300.149 3.161 10 10 DGCE COc1ccc(N2CCC(Cl)=C(Cl)C2)c(C(=O)O)c1 2227668253 MXVKRTZGQUHFHG-UHFFFAOYSA-N 302.157 3.293 10 10 DGCE COc1ccc(CNC2CCC2)c(Sc2nccs2)n1 2240298620 ZCUAACYTBZZZKU-UHFFFAOYSA-N 307.444 3.340 10 10 DGCE Cc1ccc(CN2CC[C@@H]2C(F)F)c(O)c1Br 2307467829 BENDKAUULGXAQB-SECBINFHSA-N 306.150 3.303 10 10 DGCE Cc1ccc(CNCc2cscn2)c(O)c1Br 2307476766 DXHVVUIGDBBKKS-UHFFFAOYSA-N 313.220 3.209 10 10 DGCE C[C@H]1C[C@@H]2CN(c3cc(Br)c(CN)cc3F)C[C@H]12 2312068308 OIRRKXFKEGHTKA-JMJZKYOTSA-N 313.214 3.139 10 10 DGCE CN(C)c1ccc(/C=C2/N=C(Cc3ccc(F)cc3)NC2=O)cc1 244212689 VVEGCEYSFAIZKD-UHFFFAOYSA-N 323.371 3.004 10 10 DGCE C[C@H](Cc1cccc(Cl)c1)NC(=O)Cc1ccc(N)cc1 37024317 KASFKDVSQSXIHZ-GFCCVEGCSA-N 302.805 3.212 10 10 DGCE C[C@@H]1CNc2cc3c(cc2N1Cc1cccc(F)c1)OCO3 57925452 GXKBWOOAWFVLPZ-LLVKDONJSA-N 300.333 3.375 10 10 DGCE COCCCN1C(=O)/C(=C\c2cccc(C)c2)SC1=S 71814487 XWBVMEDVPCTXNV-JLHYYAGUSA-N 307.440 3.233 10 10 DGCE CN1CCc2cc([C@@H](CN)Nc3ccc(Cl)cc3)ccc21 87914113 SHHBFZLQDLIUJG-MRXNPFEDSA-N 301.821 3.444 10 10 DGCE COc1ccc(CN(C)CCOCc2ccccc2)c(O)c1 91937126 AHDXYMUQYOPJLL-UHFFFAOYSA-N 301.386 3.049 10 10 DGCE CCOc1cccc(CN2CC[C@H](Nc3ccccc3)C2)c1O 92757910 MHXMBHALPNZUCV-KRWDZBQOSA-N 312.413 3.477 10 10 DGCE CCOc1ccccc1CN(C)Cc1ccc(OC)cc1O 180039923 HYUSCRRFOOAZEH-UHFFFAOYSA-N 301.386 3.432 10 10 DGCE C[C@H](N[C@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccccc1O 183454534 MEMRDQCVXLRMMR-OLZOCXBDSA-N 319.426 3.208 10 10 DGCE Cc1ccc([C@H](C)NC2CCN(c3ccccn3)CC2)c(O)c1 192709254 IGVFTDBZADKMCP-HNNXBMFYSA-N 311.429 3.415 10 10 DGCE CC[C@@H](C)NC(=O)CN(c1ccc(OC)cc1)[C@H](C)C1CC1 247675609 QYGFYRUEDSGUDW-ZIAGYGMSSA-N 304.434 3.215 10 10 DGCE Cc1cc(/C=C\C(=O)N2CCC[C@H](N)C2)c(C)n1-c1ccccc1 255588875 NMXFAMSMKNXHMB-LENZSSGSSA-N 323.440 3.057 10 10 DGCE Cc1c(/C=C\C(=O)N2C[C@H](C)Sc3ccccc32)cnn1C 255741871 VCOYGDFBOKIPOC-LAUAKBEESA-N 313.426 3.269 10 10 DGCE Cc1cc(C(=O)N[C@H]2CSC2(C)C)c(C)n1-c1ccccn1 276539891 WDWLBISELCQDPG-AWEZNQCLSA-N 315.442 3.113 10 10 DGCE CC[C@@H](c1cc(Br)ccc1O)N1CC[C@](C)(N)C1 405861661 IVAGGZKQRWZOJZ-JSGCOSHPSA-N 313.239 3.029 10 10 DGCE CN1CCC[C@H]2[C@@H]1CCN2Cc1cc(Cl)cc(Cl)c1O 720464986 IJVLDMBTRCCHGF-KBPBESRZSA-N 315.244 3.368 10 10 DGCE C[C@H]1C[C@@H]1CNC(=O)N(Cc1ccco1)Cc1ccccc1O 726100829 XPALTPOXEBTEGC-DZGCQCFKSA-N 314.385 3.353 10 10 DGCE COc1ccc(O)c([C@@H](C)NCc2nc(-c3ccccc3)n[nH]2)c1 756867126 GJORAXTXCZSHCO-GFCCVEGCSA-N 324.384 3.037 10 10 DGCE C/C=C/C[C@@H](NCc1cc(Cl)cc(F)c1O)C(=O)OCC 763360457 DPQACLADJYLRIE-MASHWEEQSA-N 315.772 3.172 10 10 DGCE Oc1ccc2ccncc2c1CN1CCC[C@H](OC(F)F)C1 781153597 XUWOWYWHGXJQPI-LBPRGKRZSA-N 308.328 3.144 10 10 DGCE CNC(=O)C[C@@H](NCc1cc(Cl)ccc1O)c1ccccc1 795600540 GWIHLXSTAOPJIL-OAHLLOKOSA-N 318.804 3.013 10 10 DGCE CNC(=O)C[C@H](N[C@H](C)c1cc(C)ccc1O)c1ccccc1 795852692 RKCJWMSYDJJHOE-PBHICJAKSA-N 312.413 3.229 10 10 DGCE COC(=O)c1ccc(CNCc2cc(Cl)cc(C)c2O)o1 809742945 NZSRKOHSQDIUOJ-UHFFFAOYSA-N 309.749 3.023 10 10 DGCE FCC1(NCc2ccc(N3CCCCC3)cc2)CCOCC1 824691075 SQKZUAHVUDDAIJ-UHFFFAOYSA-N 306.425 3.285 10 10 DGCE Cc1cc(CC(=O)NCCOC(C)C)c(C)n1-c1ccccc1 832147366 IHQQOJATOIQPKD-UHFFFAOYSA-N 314.429 3.178 10 10 DGCE CO[C@H](C(=O)N[C@H](C)c1ccc(N(C)C)cc1)C1CCCC1 832437310 ZDAGJDHXZYAIKJ-DYVFJYSZSA-N 304.434 3.135 10 10 DGCE C[C@H](CNC[C@H](N)c1ccc(N(C)C)cc1)Cc1ccccc1 841046057 VKGYTXBKICKYAK-JXFKEZNVSA-N 311.473 3.221 10 10 DGCE CC[C@H](NC[C@@H]1CC2(CCOCC2)CO1)c1ccccc1O 866533741 VAHWVORBKSNPDO-HOCLYGCPSA-N 305.418 3.019 10 10 DGCE O=C(CO[C@@H]1CCCc2ccccc21)N1Cc2cccc(O)c2C1 871204526 FNXMUKRNKSISQY-LJQANCHMSA-N 323.392 3.329 10 10 DGCE CCOc1ccc(CN2CCC3(CCCCO3)CC2)c(O)c1 895658887 OTKNJMBRTOKQHD-UHFFFAOYSA-N 305.418 3.326 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)C[C@@H]2CCC3(CCC3)O2)c1 896162431 DRJBKJCXWKHORC-JSGCOSHPSA-N 319.401 3.070 10 10 DGCE COC[C@H](C)CC(=O)NCc1cc(C)n(-c2ccccc2)c1C 1132048246 NXENHNRDPXBVQL-CQSZACIVSA-N 314.429 3.383 10 10 DGCE Cc1cnccc1/C=C\C(=O)NCc1cc(Cl)ccc1O 1146232998 OXSKTIPZVQJOPC-DJWKRKHSSA-N 302.761 3.079 10 10 DGCE Cc1cc(CN[C@@H]2C[C@H](O)C2(C)C)ccc1N1CCCCC1 1170398512 DETYWJAITZHUHS-MSOLQXFVSA-N 302.462 3.234 10 10 DGCE O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCOC1 1185898280 KTVBRUCIXDRMJX-CYBMUJFWSA-N 312.325 3.027 10 10 DGCE CCCCNc1ccccc1C(=O)NCc1cccc(O)c1O 1263894634 OVDPLOODAUVNQT-UHFFFAOYSA-N 314.385 3.240 10 10 DGCE CCOC(=O)/C=C/CN(Cc1ccc(N(C)C)cc1)C(C)C 1307424444 QUQZGTUTZKLOBU-BQYQJAHWSA-N 304.434 3.082 10 10 DGCE COc1ccc(CNC(=O)N[C@@H](C)[C@H]2CCC[C@@H](C)C2)c(O)c1 1312874549 UABUTYXTCCNAHD-RDBSUJKOSA-N 320.433 3.415 10 10 DGCE Cc1cc(CC(=O)N2CC[C@@]23CCOC3)c(C)n1-c1ccccc1 1328746630 VZKKIXNGLPOFBO-FQEVSTJZSA-N 324.424 3.028 10 10 DGCE Cc1ccc(O)c(CNC(=O)Cc2ccc(-n3cccc3)cc2)c1 1470253926 BRZJAJZRORWRPG-UHFFFAOYSA-N 320.392 3.350 10 10 DGCE Cc1c(F)ccc(N)c1C(=O)NCc1cccc(Cl)c1O 1472316914 MUSASKHLOZFNOE-UHFFFAOYSA-N 308.740 3.005 10 10 DGCE Cc1cc(Cl)c2c(c1)CCCN2C(=O)/C=C/c1cn(C)cn1 1524953128 HDBQXXNULPNZDU-AATRIKPKSA-N 315.804 3.375 10 10 DGCE CO[C@@H]1CC[C@@H]1N(C)C(=O)c1ccc(-n2c(C)ccc2C)cc1 1539778411 SBBRCHHTSOQIEA-ZWKOTPCHSA-N 312.413 3.344 10 10 DGCE C[C@H](NC(=O)c1ccccc1OC(F)F)c1ccccc1O 1632249991 GRQGEYNLGYBPJL-JTQLQIEISA-N 307.296 3.485 10 10 DGCE O=C(CCc1ccc(Cl)cc1)NCc1cccc(O)c1O 1651173204 UDAHDVCSEHGHAL-UHFFFAOYSA-N 305.761 3.000 10 10 DGCE O=C(N[C@H]1CCc2ccc(Cl)cc21)c1c(F)ccc(O)c1O 1651177173 MRXCKQVGWGDIHK-LBPRGKRZSA-N 321.735 3.308 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H]2CCN(CCCN=[N+]=[N-])C[C@H]21 1899965637 IXNPYCMOVICEQN-ZIAGYGMSSA-N 323.441 3.408 10 10 DGCE CN(Cc1ccccc1)C1CN(c2ccc(CO)c(Cl)c2)C1 1914211451 BXILDZCCLQOINU-UHFFFAOYSA-N 316.832 3.153 10 10 DGCE CCN[C@@H](c1ccccc1O)C1(C)CN(C(=O)OC(C)(C)C)C1 1936973757 ICCPSHRWXAWNFS-HNNXBMFYSA-N 320.433 3.300 10 10 DGCE Cc1ccc(O)c([C@H](C)N[C@H]2CCCC3(CC2)OCCO3)c1 1967523711 ONROTNCYICJKGT-GJZGRUSLSA-N 305.418 3.427 10 10 DGCE CC(C)(C)OC(=O)N1C[C@](N)(c2ccccc2O)[C@@H]1C(C)(C)C 1991366975 GOGPSZSSXLTYCJ-KSSFIOAISA-N 320.433 3.212 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1NCc1ccc(F)cc1O 1994521111 SUUMOCAKANEWOP-KGLIPLIRSA-N 324.396 3.067 10 10 DGCE [N-]=[N+]=NCC1(CNC(=O)c2ccsc2Br)CC1 2006021303 SDUBOWZKJVKCBB-UHFFFAOYSA-N 315.196 3.331 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN(Cc2cnsc2Br)C1 2006970244 UTTNALOXMFUMBR-MRVPVSSYSA-N 316.228 3.428 10 10 DGCE CC[C@](C)(COC)NCc1cccc(Br)c1O 2014278252 HODDRWJBWCYUKE-CYBMUJFWSA-N 302.212 3.059 10 10 DGCE CN(Cc1ccc(Br)cc1O)[C@@H]1CCCOCC1 2028796408 COUZZYQYIJGDLO-CYBMUJFWSA-N 314.223 3.156 10 10 DGCE Cc1cc(Br)ncc1CN(C)Cc1ccc(N)cc1 2120809946 SPWNFIYDCDGTON-UHFFFAOYSA-N 320.234 3.367 10 10 DGCE C[C@H](N)c1ccc(N(C)[C@@H]2COCCC2(F)F)cc1Cl 2168221160 USJCIFOGHPBAKW-TVQRCGJNSA-N 304.768 3.220 10 10 DGCE CN(Cc1cccc(Cl)c1O)[C@@H]1CO[C@H](C(F)(F)F)C1 2185547083 VPRNMWWWSHWGCQ-ONGXEEELSA-N 309.715 3.197 10 10 DGCE C[C@@H](N)c1cc(F)c(N2CC[C@H](P(C)(C)=O)C2)c(F)c1 2194691922 SNKKQJROOVSVPZ-KOLCDFICSA-N 302.305 3.186 10 10 DGCE COc1cc([C@H](C)NCc2cnc(SC)s2)sn1 2208803734 BHUJPOARDSMTPX-ZETCQYMHSA-N 301.462 3.181 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN1Cc1ncsc1Br 2210638787 UDPQEHJQBHIMFV-SSDOTTSWSA-N 302.201 3.180 10 10 DGCE Nc1ccc(Nc2ccc(Br)c(F)c2F)nc1 2217073057 CLVWPJVKUULUJS-UHFFFAOYSA-N 300.106 3.448 10 10 DGCE COc1ccc(N2CC[C@H](NC(C)C)C2)c(Br)c1 2221624706 JCMTWTNYJUPMSB-NSHDSACASA-N 313.239 3.034 10 10 DGCE C[C@H](NCc1conc1Br)c1cc(F)ccc1O 2222852842 ZTPYWOROOMMFMP-ZETCQYMHSA-N 315.142 3.133 10 10 DGCE C[C@@H](Nc1cc(N)c(Br)cn1)c1ccccc1O 2223230485 BCAITZHFTLUPFA-MRVPVSSYSA-N 308.179 3.305 10 10 DGCE CN(Cc1c(O)cccc1Br)C[C@H]1C[C@H](F)C1 2307371893 GVFQJAAOOHUFOB-MGCOHNPYSA-N 302.187 3.335 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)c(Br)c1 2308724173 CTWIJFZGOBJDKG-FEHBXSEYSA-N 307.235 3.313 10 10 DGCE CN(c1ccc(CO)cc1Br)[C@H]1C[C@@H]2C[C@H]1[C@H]1C[C@@H]21 2330310355 AOAIPPMITXBXIY-YTORKDELSA-N 322.246 3.422 10 10 DGCE CCCN[C@@](CO)(CCC1CC1)CSc1nccs1 2340708381 ZHEKYISJEHAXSY-CQSZACIVSA-N 300.493 3.156 10 10 DGCE O=C1/C(=C\c2ccccn2)SC(=S)N1Nc1ccccc1 33732658 PBHMVPXKXHGWCJ-JLHYYAGUSA-N 313.407 3.310 10 10 DGCE CNC1C[C@@H]2CC[C@H](C1)N2c1ccc(OC(F)(F)F)cc1 54627363 JDHLGZPPPIHECG-VGPLMAKISA-N 300.324 3.304 10 10 DGCE Cc1cc(C(=O)CNCc2ccncc2)c(C)n1-c1ccccc1 62657296 PRVRWMGVYRTSEE-UHFFFAOYSA-N 319.408 3.462 10 10 DGCE CN(C)c1ccc([C@@H](Cc2ccc(F)cc2Cl)NN)cc1 97709463 NHDQYUQFYPJWMV-MRXNPFEDSA-N 307.800 3.292 10 10 DGCE CN(C)c1ccc(CNC(=O)C(C)(C)c2cccs2)cc1 115009901 ZNSMEWVAPNHPGF-UHFFFAOYSA-N 302.443 3.408 10 10 DGCE CCN(Cc1cccc(Br)c1O)[C@H](C)COC 132582823 LGXMEYPAAVIZMW-SNVBAGLBSA-N 302.212 3.012 10 10 DGCE CO[C@@H](CN[C@H](C)c1ccc(N2CCOCC2)cc1)C(C)(C)C 154899661 DYFCUANYZCPVPX-QAPCUYQASA-N 320.477 3.235 10 10 DGCE COc1ccc(CNCc2cccc(Cl)c2O)c(OC)c1 158111635 OMQPARKIGHARPB-UHFFFAOYSA-N 307.777 3.353 10 10 DGCE CN(C)Cc1ccccc1CNCc1cccc(Cl)c1O 159731961 LIDZNQWPWXMSLX-UHFFFAOYSA-N 304.821 3.397 10 10 DGCE CCCN(CCO)c1ccc(CNCC)c(C(F)(F)F)c1 167367294 VGHWQDSCYLMRGH-UHFFFAOYSA-N 304.356 3.024 10 10 DGCE CCCN1CCC2=NN[C@H](c3ccc(N(CC)CC)cc3)[C@@H]2C1 169965230 FMDAZSHZCOYBLI-IEBWSBKVSA-N 314.477 3.265 10 10 DGCE Cc1cc(O)c(O)cc1CCNC(=O)CCC1CCCCC1 170208647 VIDCPFCWVUNVAA-UHFFFAOYSA-N 305.418 3.425 10 10 DGCE Oc1ccccc1CN1CCN(Cc2ccc(Cl)s2)CC1 179553605 LVQRUKCTTDYOTO-UHFFFAOYSA-N 322.861 3.425 10 10 DGCE Cc1ccc(O)c([C@@H](C)N[C@H](C)c2nnc3n2CCCC3)c1 185585392 JESOZJBJQTTXDF-CHWSQXEVSA-N 300.406 3.040 10 10 DGCE Cc1cc(C)c2c(c1)CCN(C(=O)c1ccc(C)c(O)c1O)C2 190767982 GRQHJZWWMNBIQK-UHFFFAOYSA-N 311.381 3.222 10 10 DGCE CN(C)c1ccc(CN[C@H]2CCN(c3ccccc3)C(=O)C2)cc1 192983871 XFPCYMPDOQYVNX-KRWDZBQOSA-N 323.440 3.038 10 10 DGCE COC(=O)c1ccc(O)c([C@@H](C)NCCCC(C)(F)F)c1 297161926 CXUKYALKGQMSJX-SNVBAGLBSA-N 301.333 3.265 10 10 DGCE O=Cc1ccc2c(O)csc2c1I 307357834 CZPVXLIORCZVEH-UHFFFAOYSA-N 304.108 3.024 10 10 DGCE C[C@@H](N[C@H]1CCCOC1)c1ccc(N2CCOCC2)cc1Cl 765834809 HTKGCIFPXDUGMX-KGLIPLIRSA-N 324.852 3.006 10 10 DGCE Cc1ccccc1C[C@H](C)N(C)C(=O)c1ccc(C)c(O)c1O 773216537 ZYBMTJCOZSWTFX-AWEZNQCLSA-N 313.397 3.418 10 10 DGCE CC(C)(C)[C@H]1CCN(Cc2cc(Cl)c(F)cc2O)C[C@@H]1O 816560692 XMVVMXNXNDFUIL-NHYWBVRUSA-N 315.816 3.414 10 10 DGCE O=C(NCc1ccccc1O)c1cc(O)cc(C(F)(F)F)c1 816912211 OIOCZKILXGUDLH-UHFFFAOYSA-N 311.259 3.047 10 10 DGCE COc1cc(O)c(CN[C@@H]2C[C@@]2(F)c2ccccc2)cc1OC 822498236 WSXIQGNXQSXWSW-QZTJIDSGSA-N 317.360 3.136 10 10 DGCE COC(=O)[C@@H]1CCCC[C@@H]1NCc1cc(Cl)cc(F)c1O 824853492 GWZISTHTFYQFPS-YPMHNXCESA-N 315.772 3.006 10 10 DGCE COC1CCN(c2ccc(CN3CC[C@H](C)[C@H](F)C3)cc2)CC1 828736600 HHYFYXWCVWNEAY-HNAYVOBHSA-N 320.452 3.482 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCC(c3cn[nH]c3)CC2)cc1 835024985 BGQZRAXDNGRZDY-ONEGZZNKSA-N 310.445 3.369 10 10 DGCE C/C(=C\C(=O)N(CC(C)C)c1ccc(F)cn1)c1cnccn1 844640656 FXQSJNUZOKYBHK-MDWZMJQESA-N 314.364 3.103 10 10 DGCE C[C@@H](NC(=O)c1ccn(C(C)(C)C)n1)c1ccc(N(C)C)cc1 846976574 GTUOPSBDSWTTGQ-CYBMUJFWSA-N 314.433 3.195 10 10 DGCE CCc1cccc(CNc2cc(C)cc(OCCO)c2)c1O 848907027 GODROKCOLATXJK-UHFFFAOYSA-N 301.386 3.246 10 10 DGCE c1cc(N2CCOCC2)ccc1CNc1cncc2c1CCCC2 849346856 DVPDVSOXXFHWBK-UHFFFAOYSA-N 323.440 3.409 10 10 DGCE O=C(O)/C=C/c1ccc(N2CCC[C@@H](CCF)C2)c([N+](=O)[O-])c1 849348687 VFAXNWAAPRHKQR-BPJJOFIESA-N 322.336 3.269 10 10 DGCE Cc1ccc([C@H](C)NCC2(CC(N)=O)CCCCC2)c(O)c1C 850573435 LXKKJHOJZRPDSO-HNNXBMFYSA-N 318.461 3.486 10 10 DGCE Cc1ccc([C@H](C)N[C@H]2CCCN3CCSC[C@@H]23)c(O)c1C 903272492 UYLOVKYGPWXETF-XIRDDKMYSA-N 320.502 3.239 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@@H]2CCCC[C@@H]2CC(=O)O)cc1 904016486 BNJHVANUWSUTPU-WXFDERKXSA-N 316.445 3.389 10 10 DGCE CN1CCN(c2ccc(CNC(C)(C)/C=C/Cl)cc2)CC1 922649175 ULDUFTZSYVHSRV-CMDGGOBGSA-N 307.869 3.059 10 10 DGCE C[C@H](NC[C@@H]1CC[C@H](N)C1)c1ccc(N2CCCCC2)cc1 925876532 AQFDVHIAQUHGKE-JZXOWHBKSA-N 301.478 3.455 10 10 DGCE Cc1cc(CN(C)CCNC(=O)OC(C)(C)C)ccc1N(C)C 1139669681 GYRPNYBMSLCYRW-UHFFFAOYSA-N 321.465 3.018 10 10 DGCE Cc1nn(-c2ccccc2)cc1C(=O)N1Cc2cccc(O)c2C1 1152572435 DVVZGPOXGKTJIM-UHFFFAOYSA-N 319.364 3.042 10 10 DGCE CO[C@]1(C)C[C@@H](NCc2cc(F)cc(C(C)=O)c2O)C1(C)C 1170386296 NDGBCNBLAOQZRF-RHSMWYFYSA-N 309.381 3.027 10 10 DGCE Cc1ccsc1CCCC(=O)NCc1c(O)cccc1O 1178910933 JAYOVYLVJPRAPW-UHFFFAOYSA-N 305.399 3.107 10 10 DGCE CCc1cc(N2Cc3cccc(O)c3C2)nc(-c2ccncc2)n1 1307192708 DCLDLXGVOYUUQG-UHFFFAOYSA-N 318.380 3.327 10 10 DGCE CCN(C)c1ccc([C@H](C)NCCc2ccc(OC)nc2)cc1 1334937489 SFGBMRCIPBVFEL-HNNXBMFYSA-N 313.445 3.440 10 10 DGCE CCCCCCO[C@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1 1351738589 PEWCNQOEMVJMKA-CQSZACIVSA-N 324.440 3.493 10 10 DGCE Cc1ccc2c(c1)C=C(C(=O)N(C)Cc1ccccc1O)CO2 1465844830 XAMXYGABJWWLCT-UHFFFAOYSA-N 309.365 3.135 10 10 DGCE O=C(NCc1cc(O)ccc1O)c1cc2c(F)cccc2s1 1471661536 RUAKAJPJWXQIKZ-UHFFFAOYSA-N 317.341 3.382 10 10 DGCE COc1cc(C)cnc1C(=O)NCc1c(O)ccc2ccccc12 1472085169 LWKNGPCNWMKQDY-UHFFFAOYSA-N 322.364 3.187 10 10 DGCE C[C@H](CC(=O)NCc1c(O)cccc1O)c1ccc(F)cc1 1597568240 CNVNSHVOLUTUEP-LLVKDONJSA-N 303.333 3.047 10 10 DGCE CNc1nc(C)ccc1C(=O)NCc1c(O)ccc2ccccc12 1597741730 AJGNDGGDJQZVSG-UHFFFAOYSA-N 321.380 3.221 10 10 DGCE COC(=O)[C@H](N[C@@H](C)c1ccccc1O)c1ccccc1F 1620505319 WQAXMUXXTQLPSP-MEDUHNTESA-N 303.333 3.096 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H]1CC[C@H]1C 1640279438 XHVKGJKJTMFMIX-PXAZEXFGSA-N 310.397 3.435 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1onc2c1CCCC2 1647791799 UOSZLMLLNFSMPG-UHFFFAOYSA-N 322.364 3.342 10 10 DGCE c1cc2c(cc1CNC[C@H]1CCN1C1CCCC1)CCCO2 1657784748 HYAXQCAHMJZJIN-GOSISDBHSA-N 300.446 3.118 10 10 DGCE C[C@@H](NC(=O)NCCC1CC=CC1)c1ccc(N(C)C)cc1 1681552244 MTAUZFAKMFCXNH-CQSZACIVSA-N 301.434 3.469 10 10 DGCE CCN1N=C(c2ccccc2)/C(=C/c2cccc(OC)c2)C1=O 1865678402 KTARVUUTEJVJPQ-LGMDPLHJSA-N 306.365 3.345 10 10 DGCE [N-]=[N+]=N[C@@H]1CCN(CCOc2cccc(Br)c2)C1 1912170559 YRPGCLGDKRTZLB-LLVKDONJSA-N 311.183 3.213 10 10 DGCE [N-]=[N+]=NCC1CCN(Cc2ncc(Br)s2)CC1 1912173712 PTGROZMVODSZEF-UHFFFAOYSA-N 316.228 3.428 10 10 DGCE N[C@H](CCCC(=O)O)c1cc(Cl)cc(Br)c1O 1951657912 PHBFJEKZAFKREZ-SECBINFHSA-N 322.586 3.063 10 10 DGCE CC(C)(C)OC(=O)NCC1(F)CC(Nc2ccc(N)cc2)C1 1959368954 YRYMNKAWWFOEAT-UHFFFAOYSA-N 309.385 3.076 10 10 DGCE CN(CCC[C@](C)(N)c1ccccc1O)C(=O)OC(C)(C)C 1960856539 IBQYEQGPXGRYBV-KRWDZBQOSA-N 308.422 3.213 10 10 DGCE C[C@@H]1CC[C@H](C(=O)O)N(Cc2cc(Cl)cc(Cl)c2O)C1 1964726628 NROWTQHXZQTVDM-PRHODGIISA-N 318.200 3.384 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(N)cc2)C2(CC2)C1 1986936644 AELKBDQPBNIIAB-OAHLLOKOSA-N 317.433 3.470 10 10 DGCE CN(C(=O)OC(C)(C)C)[C@@H]1CN(c2ccc(N)cc2)CC12CC2 1994868251 XGGJSVPHGYZINH-OAHLLOKOSA-N 317.433 3.105 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@H](F)C[C@H]2C)cc1Br 1997690907 GATARPSHFJSYBE-OPRDCNLKSA-N 301.203 3.406 10 10 DGCE COC[C@@H](C)NC(=O)C=Cc1cc(C)n(-c2ccccc2)c1C 2040499420 ITCBRBLBSUUFOJ-CQSZACIVSA-N 312.413 3.258 10 10 DGCE C[C@H](NCc1cc(Br)cc(F)c1O)c1cnco1 2042419409 KGJZSQPCQIOQBR-ZETCQYMHSA-N 315.142 3.133 10 10 DGCE C[C@@H](NC[C@H]1CCC[C@@H]1O)c1cccc(C(F)(F)F)c1O 2063783117 YLSPFBCGMAAMOA-BREBYQMCSA-N 303.324 3.223 10 10 DGCE CCOC(=O)c1cn([C@H](C)c2cc(C)c(C)cc2O)nc1C 2070251044 DOTRHWNTGGOPEC-CYBMUJFWSA-N 302.374 3.300 10 10 DGCE C[C@@H](N)c1cc(F)c(N2CCC(=CBr)C2)c(F)c1 2074224553 UCYPZBUAAZHURE-MRVPVSSYSA-N 317.177 3.473 10 10 DGCE CCN1CCc2cc([C@@H](NC)[C@@H]3CSCCS3)ccc21 2163073482 JPHWVXUYCUIHSS-JKSUJKDBSA-N 308.516 3.178 10 10 DGCE CN[C@H](C)c1ccc(N(C)C[C@@H]2OCC[C@@H]2F)cc1Cl 2179112632 ZKDYDEVOMPTSJK-ONERCXAPSA-N 300.805 3.184 10 10 DGCE O[C@H]1CCc2cc(N3CCS[C@H](C(F)(F)F)C3)ccc21 2184738399 SLCOCOLCDCJSEO-STQMWFEESA-N 303.349 3.150 10 10 DGCE CC1(C[C@@](CSc2nccs2)(NC2CC2)C(=O)O)CC1 2207927786 GTGPNZCAGGQBLP-AWEZNQCLSA-N 312.460 3.001 10 10 DGCE C/C(=C\Br)CN1CCOc2cc(N(C)C)ccc21 2219380903 JKCZQOQZYZZRDI-PKNBQFBNSA-N 311.223 3.250 10 10 DGCE Cc1ccc(O)c([C@@H](C)NCc2conc2Br)c1 2222852681 SFGJLSDCYFEHDM-SECBINFHSA-N 311.179 3.302 10 10 DGCE COc1c(C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])csc1Cl 2268924859 ZAWJSANSHRZLGC-HTQZYQBOSA-N 300.771 3.371 10 10 DGCE CN1CCc2cc([C@@H](O)[C@H](N)c3cc(Cl)cs3)ccc21 2290201996 JCXBKDWVCMYMQE-HUUCEWRRSA-N 308.834 3.127 10 10 DGCE CC1=NN(c2ccc(F)cc2)C(=O)C1=CNc1ccccc1O 2293335967 LIFPSULRQAWLDN-UHFFFAOYSA-N 311.316 3.250 10 10 DGCE Cn1cccc1C=C1SC(=S)N(Cc2ccccc2)C1=O 2296808106 SYHLUNMVYUSARV-UHFFFAOYSA-N 314.435 3.427 10 10 DGCE CN(C(=O)C=Cc1cncc(O)c1)c1ccc(F)c(Cl)c1 2308041736 AZVGMRYYXPAHMC-UHFFFAOYSA-N 306.724 3.256 10 10 DGCE CC[C@H](C)N(CCOC)c1ccc(CN)c(C(F)(F)F)c1 42561147 YOMMMVHXCZGLSL-NSHDSACASA-N 304.356 3.415 10 10 DGCE N[C@H]1CCCN(c2ccc(OCc3ccccc3)cc2F)C1 83577051 FOUBTRNLPIDWGO-HNNXBMFYSA-N 300.377 3.332 10 10 DGCE COc1ccc(CN2CCC[C@@H](c3nccs3)C2)c(O)c1 92788974 HSCCWFOCQHWEGV-CYBMUJFWSA-N 304.415 3.237 10 10 DGCE CCN(CC(C)(C)O)c1ccc([C@@H](C)N)cc1Br 92968524 WJQTTYRWTAQSKZ-SNVBAGLBSA-N 315.255 3.066 10 10 DGCE CC(C)N[C@@]1(C(=O)O)CCC[C@@H]1CCSc1nccs1 93629965 HSFKMKNQXDJASO-RISCZKNCSA-N 314.476 3.247 10 10 DGCE CCNCc1ccc(N(C)CC[C@H](C)O)c(C(F)(F)F)c1 135587028 KZSYEKRQIVKDFW-NSHDSACASA-N 304.356 3.022 10 10 DGCE Cc1cc(Cl)cc(CN(C)Cc2ncc(Cl)n2C)c1O 181148325 BQUKLYRACJDWQL-UHFFFAOYSA-N 314.216 3.373 10 10 DGCE O=[N+]([O-])c1ccc(O)c(CNc2cc(C(F)(F)F)ccn2)c1 192148889 XSRGTQIEKQAQBW-UHFFFAOYSA-N 313.235 3.326 10 10 DGCE COc1ccc(O)c([C@@H](C)NCc2ccc3c(c2)OCCO3)c1 192910996 IRQYZXVYAGLTFZ-GFCCVEGCSA-N 315.369 3.023 10 10 DGCE CN(C)c1ccc(CNCc2c(F)cc(C#N)cc2F)cc1F 193069980 PUZPYUJCYYATRB-UHFFFAOYSA-N 319.330 3.331 10 10 DGCE CN1CCCc2cc(CN[C@H]3[C@H]4CCO[C@H]4C34CCC4)ccc21 194010104 UANBCTTVRVESDM-NZSAHSFTSA-N 312.457 3.116 10 10 DGCE CN[C@H](C)c1ccc(N(C)CC(F)F)cc1Br 234460344 PMRUPDPHHVRZOO-MRVPVSSYSA-N 307.182 3.431 10 10 DGCE COCCNCc1ccc(N(C)C(C)C)cc1Br 234645554 FKBZEHNEQXTMMD-UHFFFAOYSA-N 315.255 3.030 10 10 DGCE CCOc1cccc(CN2CCCC[C@H]2c2ccnn2C)c1O 281253039 MRBCGYNUEIKKFH-INIZCTEOSA-N 315.417 3.252 10 10 DGCE Oc1ccc(Br)cc1CNC1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 300585046 ILTXCGJCAALADQ-WBRVRECLSA-N 308.219 3.289 10 10 DGCE C[C@@H]1CN(Cc2ccccc2)CCN(c2ccc(CN)cc2)C1 323374183 FHYIAWYVLQSKOI-QGZVFWFLSA-N 309.457 3.104 10 10 DGCE CCN(CC(F)F)c1ccc(CNCCOC)cc1Cl 387075195 RNBUYNLXNZFROR-UHFFFAOYSA-N 306.784 3.167 10 10 DGCE CCN(Cc1cc(Cl)cc(C(C)=O)c1O)[C@H]1CCCOC1 402647943 HZKUNZUCMRHAHS-AWEZNQCLSA-N 311.809 3.249 10 10 DGCE CO[C@@H]1CC[C@H](C)N(Cc2ccc(Br)cc2O)C1 687212856 DHWPBMOONALVQA-GXFFZTMASA-N 314.223 3.154 10 10 DGCE NCc1ccc(N2CCC(CF)CC2)c(F)c1Br 689479732 DYADLDNXLWMYDZ-UHFFFAOYSA-N 319.193 3.233 10 10 DGCE CCOc1ccc(CN(CCOC)[C@@H]2C[C@H]3CC[C@H]2C3)c(O)c1 775207688 WNTKZQFUQRXDHC-RLFYNMQTSA-N 319.445 3.428 10 10 DGCE CCN(CC)c1ccc(CNC(=O)N2[C@H](C)C[C@H]2C)cc1F 792079279 IYMPVRZKZLJVSL-CHWSQXEVSA-N 307.413 3.364 10 10 DGCE O=C(NCc1ccc(N2CCCCC2)cc1)C1(CCF)CC1 810245886 INYVZIVEYDQFDY-UHFFFAOYSA-N 304.409 3.433 10 10 DGCE COCCC1CN(C(=O)c2sccc2-n2c(C)ccc2C)C1 819570180 TZAJHLVBZXNOBW-UHFFFAOYSA-N 318.442 3.264 10 10 DGCE Cc1cc(NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)n(C)n1 822641812 BMGRAPBXOKWQGX-UHFFFAOYSA-N 322.412 3.317 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 822757105 PBQBIRNWQGKCSP-HUUCEWRRSA-N 313.401 3.048 10 10 DGCE CN(C)c1ccc(CN[C@H]2CCOC2(C)C)c(C(F)(F)F)c1 824625291 IQAKCNPXRORLHM-AWEZNQCLSA-N 316.367 3.429 10 10 DGCE Cc1cc(O)c(CN2CCCc3c(cnn3C)C2)c(Cl)c1 840954526 JPARYCVQNACPLW-UHFFFAOYSA-N 305.809 3.036 10 10 DGCE COc1ccc(N2CC[C@H](N[C@@H]3CC[C@H](C)SC3)C2)cc1 850347666 VOVMADMBHFQTHF-SOUVJXGZSA-N 306.475 3.148 10 10 DGCE CCN(CC)c1ccc(CNCC2CCC(O)CC2)cc1F 850395770 YGWSTOHXHXNNAB-UHFFFAOYSA-N 308.441 3.313 10 10 DGCE C[C@@H](NC(=O)NCC[C@H]1CC1(F)F)c1ccc(N(C)C)cc1 856847974 AANVTZLNCYWQAO-YPMHNXCESA-N 311.376 3.158 10 10 DGCE CO[C@]1(C(F)(F)F)CCN(Cc2cc(Cl)ccc2O)C1 895577290 IFMBMDHBZGMMRB-GFCCVEGCSA-N 309.715 3.199 10 10 DGCE CCCN(CC(F)F)C(=O)c1cc2cc(O)c(O)cc2s1 896014578 GIIPSLOUPJOHIN-UHFFFAOYSA-N 315.341 3.430 10 10 DGCE O=C(NCC[C@H]1CCSC1)c1cc2cc(O)c(O)cc2s1 899155346 ZESZYXYYEGFQEP-VIFPVBQESA-N 323.439 3.186 10 10 DGCE CC(C)[C@@]1(C(=O)O)CCN(C/C=C/c2ccc(N(C)C)cc2)C1 901470108 ZKMPLCYFPYADAZ-ZMBJWTFHSA-N 316.445 3.199 10 10 DGCE C[C@@H](NC1CC(CC(N)=O)C1)c1ccc(Cl)c(Cl)c1O 903261602 YRVOZFJVLCUSEC-AFPNSQJFSA-N 317.216 3.004 10 10 DGCE CC[C@@H](NCc1nc2c(s1)COCC2)c1ccc(F)cc1O 927119768 ZYBWOXPGJWDFAX-GFCCVEGCSA-N 322.405 3.301 10 10 DGCE O=C(NCc1c(O)cccc1F)C1(Cc2ccc(F)cc2)CC1 928708406 KTUWOZIZRXRAOI-UHFFFAOYSA-N 317.335 3.310 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1c(C)ccc(F)c1N 1149880872 XBHHLFXYCYVVIL-UHFFFAOYSA-N 316.376 3.474 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccccc1-c1ncco1 1167441192 ZHWACFTUQIIIGV-SOFGYWHQSA-N 322.320 3.405 10 10 DGCE COc1ccc(N(CCc2ccccc2)C[C@@H]2CCC(=O)N2)cc1 1191890783 CISYRTRNUPNJDJ-KRWDZBQOSA-N 324.424 3.023 10 10 DGCE C[C@H](NC(=O)NCCc1cccc2[nH]ccc12)c1ccccc1O 1235723178 CQRJPBCZSLYEMU-ZDUSSCGKSA-N 323.396 3.476 10 10 DGCE CN(Cc1ccc(N2CCCC2)cc1)c1cncc(Cl)n1 1306922940 WFZKGQSNYOGIDJ-UHFFFAOYSA-N 302.809 3.367 10 10 DGCE CN(Cc1ccccc1O)C(=O)NCc1cc(O)ccc1Cl 1313215603 ZBHDFWHRYZJJCV-UHFFFAOYSA-N 320.776 3.093 10 10 DGCE CCO[C@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)C(C)C 1349120119 XJZMMIJXCMHEBP-SFHVURJKSA-N 318.461 3.306 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)c1ncc(Cl)s1 1469877456 OSBXLVMFUFCDGS-UHFFFAOYSA-N 303.170 3.086 10 10 DGCE COc1ccc(CN[C@H](C)[C@@H](C)NC(=O)C(C)(C)C)cc1C 1485213805 CCRRAVYUPHEBSD-ZIAGYGMSSA-N 306.450 3.033 10 10 DGCE CC1=NO[C@@](C)(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C1 1533141651 ABQBUVCXRYTRNX-GOSISDBHSA-N 317.433 3.045 10 10 DGCE O=C(NCc1cc(O)ccc1O)c1cc(Cl)sc1Cl 1558174418 MMNDXCSXJKLTJK-UHFFFAOYSA-N 318.181 3.396 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)c1cccc2nccn12 1558554731 VDFGSKODLQPWLV-UHFFFAOYSA-N 317.348 3.123 10 10 DGCE CC[C@H]1CCN(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)C1 1564945757 UGHWNTWBBBTEBX-HOTGVXAUSA-N 317.477 3.434 10 10 DGCE C[C@@H](Cc1cccs1)NC(=O)c1ccc(N=NC(N)=O)cc1 1615600911 VXBRFTUBJMKJBJ-JTQLQIEISA-N 316.386 3.272 10 10 DGCE C[C@H](NC(=O)c1ccnc(-c2ccccc2)n1)c1ccccc1O 1635804023 NLMSIHPFYQNXPI-ZDUSSCGKSA-N 319.364 3.340 10 10 DGCE CCCCC(=O)N(C)C[C@@H](C)NCc1ccc(OC)c(C)c1 1700741621 FBMKUCXIHAJULN-OAHLLOKOSA-N 306.450 3.130 10 10 DGCE CCc1c(OCCOc2ccc(N)cc2)c(=O)ccn1C(C)C 1857913314 CSEJEFLRUKMMIU-UHFFFAOYSA-N 316.401 3.032 10 10 DGCE [N-]=[N+]=NCCCC[S@@](=O)c1cncc(Br)c1 1912159111 CVULVYYPIBSHEY-MRXNPFEDSA-N 303.185 3.042 10 10 DGCE N[C@]1(c2ccccc2O)CCOc2ccc(Br)cc21 1920497594 SVRNRQNGVIEIKM-HNNXBMFYSA-N 320.186 3.140 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]([C@@H](N)c2ccccc2O)C1 1928474275 LAOIKNYCCDVNFC-LALPHHSUSA-N 306.406 3.085 10 10 DGCE CCC[C@](C)(NC(=O)OC(C)(C)C)[C@@H](N)c1ccccc1O 1928477541 WBCFNUUOENXLKC-YOEHRIQHSA-N 308.422 3.476 10 10 DGCE CN1C(=O)[C@H](N)c2ccc(N(Cc3ccccc3)C3CCC3)cc21 1946887340 UQDDOTJMRPSPSW-LJQANCHMSA-N 321.424 3.222 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1CCCCN1c1ccc(N)cc1 1959531600 ZBUQOBLYUNEEBF-HNNXBMFYSA-N 305.422 3.152 10 10 DGCE Cc1cccc(O)c1CNCc1csc(C(F)(F)F)n1 1973054621 RMTHVFAFSVHFSE-UHFFFAOYSA-N 302.321 3.466 10 10 DGCE CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2ccc(N)cc2)C1 1977926823 OVTUDKOFGODRSJ-MRXNPFEDSA-N 319.449 3.100 10 10 DGCE COc1ccc(N(CCNC(=O)OC(C)(C)C)C(C)C)c(N)c1 1977931166 FHMZSUAEXZTCCK-UHFFFAOYSA-N 323.437 3.017 10 10 DGCE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CN(c1ccc(N)cc1)C2 1985638696 PQRLEULNSGAYGL-HOTGVXAUSA-N 317.433 3.247 10 10 DGCE CN[C@H](c1ccc(N(C)C)cc1)c1coc(Br)c1 2044719496 PNUWQBXYAWUOCM-CQSZACIVSA-N 309.207 3.417 10 10 DGCE Cc1ccc(O)c([C@@H](C)n2cc(C(=O)OC(C)(C)C)cn2)c1 2069977285 NNJASKPVQPDXGE-GFCCVEGCSA-N 302.374 3.462 10 10 DGCE CCN[C@H](c1ccccc1O)c1nn(C)c(Cl)c1Cl 2094348239 GXNKTUPWIXGUBO-LLVKDONJSA-N 300.189 3.131 10 10 DGCE CP(C)(=O)[C@H]1CCCN(c2c(F)cc(CN)cc2F)C1 2159330887 RNLNRDRFGSZHKU-NSHDSACASA-N 302.305 3.015 10 10 DGCE C[C@@H](O)c1ccc(N2CCS[C@H]3COCC[C@H]32)cc1Cl 2170505224 ODXPPBYUTMAFBB-KMUNFCNLSA-N 313.850 3.104 10 10 DGCE C[C@@H](N(C)c1ccc(CN)c(F)c1)C(F)(F)C(F)(F)F 2182437300 MVIIRJQEZDGNBN-SSDOTTSWSA-N 300.246 3.307 10 10 DGCE COc1cc(Cl)cc(CN(C)C[C@@H](OC)C(C)C)c1O 2188533848 FNOWXJYVGSFSBY-CQSZACIVSA-N 301.814 3.157 10 10 DGCE C[C@@H](N)c1cc(F)c(N(C)C[C@H](F)C(F)(F)F)c(F)c1 2194688646 JAMQHIDTLBZTFA-LDWIPMOCSA-N 300.246 3.321 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@H]1NC(=O)c1ccc(Br)cc1 2218747164 ZWCAZBQVAPDWNA-MNOVXSKESA-N 309.167 3.410 10 10 DGCE CN(C[C@H](F)C1CCOCC1)c1ccc(CO)cc1Cl 2238337214 QPYRUQXLBHKOOC-AWEZNQCLSA-N 301.789 3.033 10 10 DGCE COc1cc(Cl)sc1[C@@H](NN)c1ccc(N(C)C)cc1 2295715336 VTSNPUWKGXZORE-ZDUSSCGKSA-N 311.838 3.029 10 10 DGCE COCCN1C(=O)C(=CC=Cc2ccccc2)SC1=S 2296665695 NBULJABZRPCUIX-UHFFFAOYSA-N 305.424 3.090 10 10 DGCE Cc1ccc([C@@H](C)NC[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)c(O)c1 2296817874 PJBIHHPMSUBBQV-VNHYZAJKSA-N 320.433 3.264 10 10 DGCE CCN1C(=O)NC(=Cc2cc(C)n(-c3ccccc3)c2C)C1=O 2297460029 MSAXXISAUSUAFZ-UHFFFAOYSA-N 309.369 3.007 10 10 DGCE C[C@@H](c1ccc(F)cc1)N(C)C(=O)C=Cc1ccc(O)c(O)c1 2307982064 LZMUWIGFKXUZPG-LBPRGKRZSA-N 315.344 3.470 10 10 DGCE Cc1ccc(CN(C)CCC[C@H](C)O)c(O)c1Br 2327623489 IHGRCZHKJFPIAU-NSHDSACASA-N 316.239 3.056 10 10 DGCE CC[C@H](C)NC(=O)NCc1ccc(C)c(Br)c1O 2327632468 XTTFTJLGRTUQOE-VIFPVBQESA-N 315.211 3.061 10 10 DGCE CCN(CCN=[N+]=[N-])S(=O)(=O)c1ccc(Cl)c(Cl)c1 2337776200 CPFFSMBEWQVXIK-UHFFFAOYSA-N 323.205 3.314 10 10 DGCE Cc1ccc(SC[C@@H](O)COc2ccc(N)cc2)c(C)c1 51328294 GKKAITRXZCOHJN-HNNXBMFYSA-N 303.427 3.418 10 10 DGCE Cc1cc(S(=O)(=O)NCCCCN=[N+]=[N-])sc1Cl 231733934 UNJGJORZDIPPFD-UHFFFAOYSA-N 308.816 3.079 10 10 DGCE COC(=O)/C=C/c1ccc(N2CCC[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 301422153 NVZYBJBBGCQYDC-BPDPDCLSSA-N 318.373 3.406 10 10 DGCE CC[C@@H](CSC)N(C)c1ccc(CNCCOC)cc1F 124231854 SLXOMHQAGZKCJQ-AWEZNQCLSA-N 314.470 3.140 10 10 DGCE CCn1c(/C=C\c2ccccc2[N+](=O)[O-])nc2ccccc2c1=O 33405909 SZTYYEMNHISJHM-QXMHVHEDSA-N 321.336 3.495 10 10 DGCE CCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1ccc(C)cc1O 185683083 JJXUDPUNCLIKDT-JSGCOSHPSA-N 300.406 3.040 10 10 DGCE CSc1ncc(CNC(=O)OCCc2ccccc2)s1 2362609205 AGUPBMBTJWEPPT-UHFFFAOYSA-N 308.428 3.334 10 10 DGCE CCC(CC)C1=NN2C(=N)/C(=C\c3ccco3)C(=O)N=C2S1 33558345 CDHQJKOFBGKDBS-AHCHECIRSA-N 316.386 3.335 10 10 DGCE C[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1O 187768126 ZOHHIIKYYYGZKK-SECBINFHSA-N 308.284 3.429 10 10 DGCE CC(=O)N(C(=O)N/C=C(\C)C1CCCC1)c1ccc(N)cc1 218784719 GZVGCTMAWLZEQA-VAWYXSNFSA-N 301.390 3.425 10 10 DGCE CCC(CC)OC(=O)/C=C/c1ccc(N2CCOCC2)cc1 135328847 OQWNAQDCECHXDD-JXMROGBWSA-N 303.402 3.268 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H]1CCCC1=O 194124669 CDNOFFLWEAFLIG-ZDUSSCGKSA-N 316.426 3.255 10 10 DGCE CN[C@@H]1C(=O)Nc2cc(N(C)[C@@H](C)C(C)(C)C)c(Cl)cc21 92751292 VEXDUGJNSQSAKB-XPTSAGLGSA-N 309.841 3.423 10 10 DGCE CCNCc1ccc(N(C)[C@H](C)COC)cc1Br 233512698 RHBKXBXEEHASIW-LLVKDONJSA-N 315.255 3.030 10 10 DGCE CC(=O)N(C(=S)Nc1ccc(Cl)cn1)c1ccc(N)cc1 242941507 HBTIBANHYPYNQW-UHFFFAOYSA-N 320.805 3.067 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2C[C@H]2c2ccsc2)c1 528859911 HTAOVJGONJQQKO-NZVBXONLSA-N 317.410 3.443 10 10 DGCE Oc1ccc(Cl)c(F)c1CNC1CC(N2CCCCC2)C1 370110739 IBLKWXHQWKNUIY-UHFFFAOYSA-N 312.816 3.291 10 10 DGCE C[C@H]1[C@H](N[C@H](C)c2ccccc2O)CCN1C(=O)OC(C)(C)C 700744071 KLKSSYIJQPRCBZ-VNHYZAJKSA-N 320.433 3.441 10 10 DGCE CN1CCc2cc([C@H](N)[C@@H](O)c3ccsc3Cl)ccc21 2163136400 SJUPOAPKIDPIDV-KBPBESRZSA-N 308.834 3.127 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)Cc1ccncc1Cl 816914475 RUIOQNOTHIBION-UHFFFAOYSA-N 318.804 3.422 10 10 DGCE CCN1CCC[C@@H](CNC/C=C/c2ccc(N(C)C)cc2)C1 835035244 FADIEOGVTHEURB-FZMUQLTDSA-N 301.478 3.087 10 10 DGCE COc1ccc(O)c(CNC(=O)N[C@@H]2CCCC[C@@H]2C(C)C)c1 734071795 YSGNAUWOGNROFW-HZPDHXFCSA-N 320.433 3.415 10 10 DGCE COc1ccnc(CN[C@@H](C)c2c(C)cc(C)cc2O)c1F 850536723 MYGZWNCABNYOQT-LBPRGKRZSA-N 304.365 3.403 10 10 DGCE COc1cc(CN[C@@]23C[C@@H]2COC3(C)C)c(O)c(C(C)(C)C)c1 858229634 FCCXFEWLBLJWLT-YJYMSZOUSA-N 319.445 3.355 10 10 DGCE C[C@@H](N[C@H]1C[C@@](CO)(c2ccccc2)C1)c1ccc(F)cc1O 927157670 QPYJBEJEIMCSMQ-NRXGSXMXSA-N 315.388 3.275 10 10 DGCE COc1cc(C)cc(CN2C[C@]34CCCC[C@@]3(COC4)C2)c1O 853624042 LLAUNIJWPPRICQ-OALUTQOASA-N 317.429 3.102 10 10 DGCE Cc1ccccc1Cc1nc(CN(C)Cc2ccccc2O)no1 751477557 FTOZGMJMHWUMHG-UHFFFAOYSA-N 323.396 3.306 10 10 DGCE c1cc([C@H](NCc2ccc(N3CCOCC3)cc2)C2CC2)ccn1 934699583 ZRRNSCQNSODASY-HXUWFJFHSA-N 323.440 3.159 10 10 DGCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1C[C@H](C)[C@H]1C 861836920 NOTQFGLFESJLDC-GXTWGEPZSA-N 310.397 3.387 10 10 DGCE CCN1C(=O)/C(=C/c2c(C)ccc([N+](=O)[O-])c2C)SC1=S 871597795 AAMCWPNRNDYJOT-GHXNOFRVSA-N 322.411 3.433 10 10 DGCE O=C(C[C@@]12CCCC[C@@H]1C2(F)F)N1Cc2cccc(O)c2C1 871206309 ZEPYHJPGMWOPDQ-HOCLYGCPSA-N 307.340 3.450 10 10 DGCE Oc1cc2c(cc1CN1CCC[C@H](OCC3CC3)C1)CCC2 777556451 SMKZWMAMFCKBCT-SFHVURJKSA-N 301.430 3.272 10 10 DGCE Cc1cc(Br)c(O)c(CN[C@]2(C)CCO[C@@H]2C)c1 784640124 LKCZJGMDCLCPGF-QMTHXVAHSA-N 314.223 3.120 10 10 DGCE CCC1(N2CCC2)CCN(Cc2ccc(F)c(F)c2O)CC1 895821628 GBUUVQNVYNRXTP-UHFFFAOYSA-N 310.388 3.121 10 10 DGCE O=C(c1c(F)ccc(O)c1O)N1CCC[C@]2(CC=CCC2)C1 789980230 WWESEWSDCYSCBD-QGZVFWFLSA-N 305.349 3.199 10 10 DGCE CC(C)CC[C@@](C)(O)CNCc1c(O)ccc(Cl)c1F 790971107 OTOUMMCNAOSXDX-OAHLLOKOSA-N 303.805 3.462 10 10 DGCE COc1ccc(CNC(=O)Nc2nc(C(C)C)cs2)c(O)c1 794761959 MYYKKKORKZVZPJ-UHFFFAOYSA-N 321.402 3.302 10 10 DGCE C[C@@H]1O[C@H](C)[C@@H](C(=O)NCc2c(O)ccc3ccccc23)[C@H]1C 1157050339 DZOMRVWLSMDLNI-JWXAPSBJSA-N 313.397 3.221 10 10 DGCE C[C@H](NC(=O)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21)c1ccc(N(C)C)cc1 1226646950 LVQHWCCKTCFRMZ-OYZWVWQASA-N 313.445 3.157 10 10 DGCE O=C(NCc1c(O)cccc1F)N[C@@H]1C[C@H]1C1CCCCC1 1229184407 FDNCLHRUOCISCY-SWLSCSKDSA-N 306.381 3.299 10 10 DGCE C=C/C(C)=C/CC(=O)N(C)CCNCc1ccc(OC)c(C)c1 1317619683 GTMJCQIPGHIRGT-VIZOYTHASA-N 316.445 3.074 10 10 DGCE C[C@H](Cc1ccccc1Cl)C(=O)NCc1c(O)cccc1O 1178912921 ZGOZZDXWKCELKT-LLVKDONJSA-N 319.788 3.246 10 10 DGCE CC[C@H]1CN[C@@H](C)CN1c1ccc(OC)c(Br)c1 88330952 JOTCDHCLJQMBAV-QWRGUYRKSA-N 313.239 3.034 10 10 DGCE CCNCc1ccc(N2CC[C@H]3C[C@@H]3C2)c(Br)c1 699277282 SOHIFARGVHNNFB-QWHCGFSZSA-N 309.251 3.405 10 10 DGCE CCC[C@@H](CC)C(=O)N(CC(=O)OCC)Cc1ccccc1O 1469231375 SBNQXUCOWRXXJL-CQSZACIVSA-N 321.417 3.110 10 10 DGCE COc1ccc2c(c1)C[C@@H](C(C)C)CN2C[C@@H](O)CSC 1460282103 CQXIXAJBXDAJJV-HUUCEWRRSA-N 309.475 3.054 10 10 DGCE Cc1conc1C(=O)NCc1cc(C)n(-c2ccccc2)c1C 1534765635 HGHSNPAENSLUHN-UHFFFAOYSA-N 309.369 3.321 10 10 DGCE CC/C(C)=C/C(=O)NC[C@H](CC)NCc1ccc(OC)c(C)c1 1715055390 GNZZULAUCGTKBO-SHRNQRGKSA-N 318.461 3.344 10 10 DGCE CC(C)c1nc([C@H]2CCCCN2C(=O)c2cc(O)cs2)no1 1634995593 ZJFVMHAMYYGQMG-LLVKDONJSA-N 321.402 3.328 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2ccc(-n3ccc(C)n3)cc2)c1 1640796837 RJIIYQSUFCDPSG-UHFFFAOYSA-N 321.380 3.125 10 10 DGCE c1cc2c(cc1CNC[C@H]1CCCCN1C1CC1)CCCO2 1662391085 GMHJQXNXCCLZLL-GOSISDBHSA-N 300.446 3.118 10 10 DGCE CC(C)O[C@@H]1C[C@H](NC(=O)N2Cc3cccc(O)c3C2)C1(C)C 1679868369 DFVUNXFJYWXEEE-JKSUJKDBSA-N 318.417 3.010 10 10 DGCE CCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C/c1ccncc1 1865673575 MDTBVGKAQBZZEB-FOWTUZBSSA-N 307.353 3.286 10 10 DGCE Nc1ccc(NC(=O)C2=NO[C@@H](c3ccccc3Cl)C2)cc1 586033524 GJPDTNFAFZLPKC-OAHLLOKOSA-N 315.760 3.378 10 10 DGCE CCC[C@@H](CNC(=O)OC(C)(C)C)NCc1ccc(N)cc1 1929716987 SBFWOKGOYHJNJY-HNNXBMFYSA-N 307.438 3.052 10 10 DGCE Nc1ccc(OCCN(Cc2ccccc2)CC(F)F)cc1 1931973719 DKDOIJMWAQKVLZ-UHFFFAOYSA-N 306.356 3.415 10 10 DGCE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNCc1ccc(N)cc1 1937860043 QCNYVTDYEJLTDY-XJKSGUPXSA-N 319.449 3.004 10 10 DGCE CC(C)(C)OC(=O)NCC1(F)CCN(c2ccc(N)cc2)CC1 1977950855 KKHXKRYYTCZJPK-UHFFFAOYSA-N 323.412 3.102 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1C[C@](N)(c2ccccc2O)C1(C)C 1981683308 XSRSWJNDZZMGEW-SGTLLEGYSA-N 320.433 3.117 10 10 DGCE Cc1ccc(CN[C@@H]2CC[C@@H]2CNC(=O)OC(C)(C)C)c(O)c1 1994457464 BNPGMOKXMBZOMG-UKRRQHHQSA-N 320.433 3.094 10 10 DGCE CNCc1cc(F)c(N2CC[C@@H](SC(C)C)C2)c(F)c1 383099855 XQUMJLSNQYCGST-GFCCVEGCSA-N 300.418 3.405 10 10 DGCE CN(Cc1cncs1)c1ccc(CN)c(Br)c1 400063658 JQMHSZVYUQIQLH-UHFFFAOYSA-N 312.236 3.001 10 10 DGCE COc1cccc(O)c1[C@H](C)n1ncc(C)c1Br 2070302225 XQYDNXVCBNILOG-VIFPVBQESA-N 311.179 3.278 10 10 DGCE CO[C@@H]1CCCC[C@@H]1N(C)c1cc(Cl)c(CN)cc1F 2177381091 JCILDYZDJFPDNF-DZGCQCFKSA-N 300.805 3.332 10 10 DGCE CN[C@H](C)c1ccc(N2C[C@H](OC)C[C@H]2CF)c(Cl)c1 2190233408 VKUPMISHLGLAET-KGYLQXTDSA-N 300.805 3.184 10 10 DGCE CN(c1ccc(CO)c(Br)c1)[C@@H]1[C@@H]2C[C@H]2[C@H]2C[C@H]21 2047811555 IHCOTHSLBKWOCF-OKWIKPQFSA-N 308.219 3.032 10 10 DGCE CO[C@H]1C[C@H](C)CN(Cc2c(O)cccc2Br)C1 2085081205 OCWVTTGWBIFDRN-QWRGUYRKSA-N 314.223 3.012 10 10 DGCE Cc1ncoc1CN(C)c1ccc([C@H](C)N)cc1Br 2105598020 GYILTSIQKZRMIO-VIFPVBQESA-N 324.222 3.402 10 10 DGCE CN(C[C@H](F)C1CCC1)c1ccc(CN)cc1Br 2220904333 CFWRYXATBQYSAO-ZDUSSCGKSA-N 315.230 3.482 10 10 DGCE N[C@@H]1CCCc2cc(N3CC(SC(F)(F)F)C3)ccc21 2237484781 PGXQAUXZPZZSMF-CYBMUJFWSA-N 302.365 3.464 10 10 DGCE [N-]=[N+]=NCCCN1CCC[C@H](NC(=O)OCc2ccccc2)C1 2242558666 VMAOSVAOUTTZSJ-HNNXBMFYSA-N 317.393 3.078 10 10 DGCE COc1ccc([C@H](C)Nc2cnncc2Br)c(O)c1 2278764758 OVTLNADYOVGTES-QMMMGPOBSA-N 324.178 3.126 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@@H]1NC(=O)c1cc(Cl)cc(Cl)n1 2335532048 BBBHQKGVHRBMOW-YUMQZZPRSA-N 300.149 3.350 10 10 DGCE CN(C)c1ccc(/C=C2/N=C(c3ccccc3F)OC2=O)cc1 187732 OAVASASBCWSVKV-LFIBNONCSA-N 310.328 3.236 10 10 DGCE COc1ccc(N2C[C@@H](N)C[C@@H](CC(C)(C)C)C2)cc1OC 108212076 ITKUGAXZZXPZJE-KBPBESRZSA-N 306.450 3.294 10 10 DGCE Cc1cc(Cl)cc(CN[C@H](CO)Cc2ccccc2)c1O 119542397 KNJKHLHKXLWYFS-INIZCTEOSA-N 305.805 3.047 10 10 DGCE CSCCc1ccc(NC(=O)Cc2ccc(N)cc2)cc1 155257989 GVCLGODEGDAMFQ-UHFFFAOYSA-N 300.427 3.356 10 10 DGCE CC(C)NCc1ccc(N(C)[C@H]2CCCN(C)C2)c(Cl)c1 164052198 GEDMOWWCPCDBFN-HNNXBMFYSA-N 309.885 3.368 10 10 DGCE O=C(CC1CCCC1)NC1CCN(Cc2ccccc2O)CC1 179573516 POGRQBPAQMYRAO-UHFFFAOYSA-N 316.445 3.053 10 10 DGCE C[C@H](N)c1ccc(N2CCSCC2)cc1Br 235512049 OMLBHBRODYTKGH-VIFPVBQESA-N 301.253 3.022 10 10 DGCE C[C@@H]1CN(Cc2ccccc2)CCN1CCc1ccc(N)cc1 382657640 MJTIKKSNBRZPHZ-QGZVFWFLSA-N 309.457 3.018 10 10 DGCE N[C@@H](CF)c1cc(Br)cc(C(F)(F)F)c1O 396478556 YWMQKRPFKPYZHX-ZETCQYMHSA-N 302.065 3.143 10 10 DGCE COCCCCN(C)c1ccc([C@H](C)N)c(Br)c1 397100775 DGISHLQGTPXGFN-NSHDSACASA-N 315.255 3.332 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)N1CC2(CC2)c2ccccc21 588407143 GLAPYCNIFYJHOZ-VURMDHGXSA-N 307.349 3.189 10 10 DGCE CCNCc1ccc(N2CC[C@H]3C[C@H]3C2)c(Br)c1 699277285 SOHIFARGVHNNFB-STQMWFEESA-N 309.251 3.405 10 10 DGCE CN(Cc1ccccc1)C(C)(C)CNCc1ccc(O)cc1O 714221218 VQBWMGDALSOMCU-UHFFFAOYSA-N 314.429 3.098 10 10 DGCE COc1cc(Cl)cc(CNCc2ncc(Cl)s2)c1O 719442731 BMTLOYQYBHDQFF-UHFFFAOYSA-N 319.213 3.454 10 10 DGCE CCn1c(COC(=O)c2cc(O)cs2)nc2cc(F)ccc21 732354029 YOJKDCAQMRICFD-UHFFFAOYSA-N 320.345 3.319 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCc2ccn(C)n2)c1 765913866 GUIBNJGDSMZXLO-UHFFFAOYSA-N 322.412 3.066 10 10 DGCE O=[N+]([O-])c1ccc(N2CC=C(c3ccc(Cl)nc3)CC2)cn1 773248361 TWVGSTCVSHOTML-UHFFFAOYSA-N 316.748 3.332 10 10 DGCE CCN(C)c1ccc(CN[C@H](c2ccccc2)c2nc[nH]n2)cc1 773887067 AGBSWOZQJVDBRH-GOSISDBHSA-N 321.428 3.140 10 10 DGCE COc1ccc(CNC(=O)NCC2(C)CCC(C)CC2)c(O)c1 793219515 JSVKZYSEPSBYCL-UHFFFAOYSA-N 320.433 3.416 10 10 DGCE Cc1cc(CN2CCCc3cc(OC(F)F)ccc32)ncn1 794403197 DIFQQMBUDPHGPT-UHFFFAOYSA-N 305.328 3.339 10 10 DGCE CC(C)C[C@H](C)C(=O)NCc1cc(Br)ccc1O 804735688 HARLEFFMTRQWJY-JTQLQIEISA-N 314.223 3.453 10 10 DGCE CCOCc1cc(CN[C@@H]2CCO[C@@H](CC)C2)ccc1OC 817413971 AXOIHBMTKGVYRG-SJORKVTESA-N 307.434 3.279 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)NC1CC(C)(C)C1 824021703 BYMPDWRQOLOXRM-UHFFFAOYSA-N 303.450 3.473 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCN(C3CCCC3)CC2)cc1 835025794 NLBJTLJLIAYNDO-AATRIKPKSA-N 313.489 3.326 10 10 DGCE CN(C)c1ccc(/C=C/CN2CC[C@@H](Cc3cnn(C)c3)C2)cc1 835029269 RXHBFOBPOQSIPW-WRFKIARRSA-N 324.472 3.064 10 10 DGCE CN(C)c1ccc(/C=C\CNc2ccn(CC(F)F)n2)cc1 835042890 LEGNSWQXISKCAR-ARJAWSKDSA-N 306.360 3.340 10 10 DGCE CCN(C/C=C/c1ccc(N(C)C)cc1)C[C@H](O)C(F)(F)F 835046601 TYQBYRFNKUOOLT-NFAHFFEMSA-N 316.367 3.011 10 10 DGCE Cc1cc(O)c(CN2CC[C@@H](CN3CCCC3)C2)c(Cl)c1 840918236 QJQXAHMNLQNQGP-AWEZNQCLSA-N 308.853 3.272 10 10 DGCE COc1cccc([C@H](C)N[C@H](C2CC2)[C@@H]2CCCCO2)c1O 848559252 QYGAIKDQVFJDFS-YLQAJVPDSA-N 305.418 3.399 10 10 DGCE O=C(NCC1(C(F)(F)F)CCCC1)c1c(F)ccc(O)c1O 863943323 XMTDJQLENRRBHB-UHFFFAOYSA-N 321.270 3.089 10 10 DGCE C[C@@H](NC(=O)NC[C@H]1CCC2(CCCC2)O1)c1ccccc1O 868755720 KNDQIEXKYNTFSU-ZIAGYGMSSA-N 318.417 3.244 10 10 DGCE CO[C@H](CNC(=O)N[C@@H](C)c1ccccc1O)C1CCCCC1 868788806 XVGSFCFWTKRBCW-SUMWQHHRSA-N 320.433 3.348 10 10 DGCE C[C@H](N[C@@H](CO)CCc1ccccc1)c1ccc(F)cc1O 903292692 KODBRKXWDVFGEG-XJKSGUPXSA-N 303.377 3.176 10 10 DGCE CC(C)Oc1ncccc1NC(=O)N1Cc2cccc(O)c2C1 929762751 MWFMGQUBERWDMO-UHFFFAOYSA-N 313.357 3.122 10 10 DGCE C[C@@H]1CCCCN1C1=NC(=O)/C(=C/c2ccc(O)cc2)S1 1084373888 MVFWIZLYVFVKGD-UXEDPAHQSA-N 302.399 3.237 10 10 DGCE O=C(NCc1ccc(O)c(O)c1)c1coc2ccc(Cl)cc12 1137443413 OKUJVECXPPJNPO-UHFFFAOYSA-N 317.728 3.427 10 10 DGCE O=C(NCc1cc(O)ccc1O)c1cc(C(F)F)ccc1F 1153885128 LEBIYDOAIDYNEG-UHFFFAOYSA-N 311.259 3.105 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@]12CCCC[C@@H]1C2 1255449665 ULETZTMUQGAQRU-VQIMIIECSA-N 315.461 3.474 10 10 DGCE CCn1cc(C(=O)NCc2c(O)ccc3ccccc23)c(C)n1 1304090733 PNVSYGSJHPRJCL-UHFFFAOYSA-N 309.369 3.000 10 10 DGCE Oc1cccc(O)c1CNc1ncc(Br)cc1F 1307215165 CWMRCZZPZPCBSD-UHFFFAOYSA-N 313.126 3.007 10 10 DGCE COc1ccc(N(C)C[C@@H]2CN(C3CCCCC3)C(=O)O2)cc1 1473612945 CLTSOSRMHVOOQP-QGZVFWFLSA-N 318.417 3.285 10 10 DGCE C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1cccc(O)c1 1625100537 FPSHUNQMNJTAQR-SNVBAGLBSA-N 312.329 3.046 10 10 DGCE Cc1cc(C)cc(OCCC(=O)NCc2c(O)cccc2F)c1 1638858117 HRDIHYDDLJASKY-UHFFFAOYSA-N 317.360 3.233 10 10 DGCE CC(=O)c1cc(F)cc(CN(C)C[C@]23CCC[C@H]2OCC3)c1O 1660682392 CHWSXLDMLFDLAL-SJLPKXTDSA-N 321.392 3.125 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCC1CC=CC1 1686826999 UPNCYWAFMBGDFU-HNNXBMFYSA-N 315.461 3.257 10 10 DGCE CC(C)(C(=O)O)C(=O)Nc1ccc(Oc2ccc(N)cc2)cc1 1865995471 GNUBQXGCCIFYBM-UHFFFAOYSA-N 314.341 3.110 10 10 DGCE C[C@H]1CN(c2ccc(C=CC(=O)O)c(Br)c2)[C@@H]1C 1911854817 BVWPSZZSZPBVDW-VHSXEESVSA-N 310.191 3.392 10 10 DGCE CC[C@H](O)CN(Cc1ccccc1)c1ccc(CN)cc1F 1915379007 RHOZSQVSFAVMDL-INIZCTEOSA-N 302.393 3.062 10 10 DGCE CO[C@H](Cc1ccc(N)cc1)C(C)(C)NC(=O)OC(C)(C)C 1952756631 GNHBMRSKKYSACT-CQSZACIVSA-N 308.422 3.130 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H](F)[C@H]1c1c(N)cccc1O 1953070099 CAJWFSCRCYNZCG-YGRLFVJLSA-N 310.369 3.385 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H]2CCN(CCCCN=[N+]=[N-])C[C@H]21 1982246531 WIOVZLGRRBKBLS-ZIAGYGMSSA-N 323.441 3.408 10 10 DGCE Cc1cccc(CN[C@H]2CC[C@H]2CNC(=O)OC(C)(C)C)c1O 1986710864 YRVXFBLZHJHQHJ-ZFWWWQNUSA-N 320.433 3.094 10 10 DGCE CN(C)c1ccc([C@@H](N)c2ccnn2Cc2ccccc2)cc1 1994398389 KSIFACTZYSTXNR-LJQANCHMSA-N 306.413 3.046 10 10 DGCE C[C@]1(C(F)F)C[C@@H]1NCc1cc(Br)ccc1O 2008230471 OEVWOBVQWMFPTD-JQWIXIFHSA-N 306.150 3.288 10 10 DGCE CC[C@H](O)CN(CC)c1ccc([C@@H](C)O)cc1Br 2044542996 DXNBQDDBLGWRHT-PWSUYJOCSA-N 316.239 3.100 10 10 DGCE CCc1nn(-c2ccc(O)c(O)c2)c(Br)c1C1CC1 2079616746 RXBZSYLUJMHJMA-UHFFFAOYSA-N 323.190 3.486 10 10 DGCE C[C@@H]1C[C@H]2CN(c3ccc(CN)c(Br)c3F)C[C@H]12 2085513024 KJXKBLFZNNMNOI-DVVUODLYSA-N 313.214 3.139 10 10 DGCE CN[C@H](c1ccccc1O)[C@H](O)c1ccc(Br)cc1 2091857889 FWCIRSZQXJWBSS-HUUCEWRRSA-N 322.202 3.149 10 10 DGCE Cc1ccc([C@@H](O)[C@H](N)c2ccccc2O)cc1Br 2091867593 NFXWADRIAWVZKP-HUUCEWRRSA-N 322.202 3.197 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)c2ccncc2Br)CC1 2099330473 XHULPDRNXSWMCG-SECBINFHSA-N 324.182 3.149 10 10 DGCE CN1CCc2cc([C@H](N)c3ccccc3Br)ccc21 2106800345 GSMISMSWQODKOX-INIZCTEOSA-N 317.230 3.490 10 10 DGCE CN[C@@H](c1ccccc1O)c1ccc(OC)cc1Br 2107900075 QVFLIHOOIYGOJW-OAHLLOKOSA-N 322.202 3.472 10 10 DGCE Cc1nc(CN(C)c2ccc([C@H](C)N)c(Br)c2)co1 2113577880 NWCYOMFTSPKFTD-VIFPVBQESA-N 324.222 3.402 10 10 DGCE COc1cc(Cl)cc(CNC[C@H]2C[C@@H](SC)C2)c1O 2134051723 DNBCZEITLQDPPR-WVSHTKLVSA-N 301.839 3.285 10 10 DGCE Cc1cccc(CNCc2cc(O)ccc2Br)c1O 2139763548 HFVWGNKANOOJET-UHFFFAOYSA-N 322.202 3.459 10 10 DGCE CCCOc1cc(N2CCC(C3(C)OCCO3)CC2)ccc1N 2145810507 XPHOGCSCCHXJDV-UHFFFAOYSA-N 320.433 3.037 10 10 DGCE C[C@@H](NCc1csc(C(F)F)n1)c1c(O)cccc1O 2188737445 RGWXFQQCXLXRBN-SSDOTTSWSA-N 300.330 3.343 10 10 DGCE C[C@H](N)c1cc(F)c(N2CC[C@H](P(C)(C)=O)C2)c(F)c1 2194691924 SNKKQJROOVSVPZ-ONGXEEELSA-N 302.305 3.186 10 10 DGCE C[C@H](N)c1ccc(N2CC[C@H]3C[C@@]3(F)C2)cc1Br 2222708820 RYFGMYMIVVCINX-PKFCDNJMSA-N 313.214 3.407 10 10 DGCE C[C@@H](N)c1ccc(N(C)C[C@@H](F)[C@@H]2CCOC2)c(Cl)c1 2238325158 YGJUVXKVHXTKFH-MPKXVKKWSA-N 300.805 3.171 10 10 DGCE Cc1ccc(CN(C)C(=O)C(C)(F)F)c(O)c1Br 2327800483 LQTIMEYRRAHZAL-UHFFFAOYSA-N 322.149 3.077 10 10 DGCE COCCNCc1ccc(N2C[C@H](C)S[C@H](C)C2)c(C)c1 70384625 HAZVVVXIOSSUIR-GASCZTMLSA-N 308.491 3.061 10 10 DGCE O=C(O)Cc1nc2c(O)cccn2c1/N=N\c1ccc(F)cc1 71602092 BEOVQGSEHKBELF-HNENSFHCSA-N 314.276 3.222 10 10 DGCE COc1ccc(CNC2CC2)cc1CSc1nncs1 81869809 KZGPQAFHOWWHLR-UHFFFAOYSA-N 307.444 3.091 10 10 DGCE Nc1ccc(Cc2n[nH]c(-c3ccc(F)c(F)c3F)n2)cc1 82753129 SGRNGZFWPYDMQU-UHFFFAOYSA-N 304.275 3.062 10 10 DGCE Cc1cc(C(=O)N(C)[C@@H](C)CO)c(C)n1-c1ccc(Cl)cc1 126855101 IGCPJKYELWCFCN-LBPRGKRZSA-N 320.820 3.200 10 10 DGCE Cc1ccc2cc(C(=O)NCc3ccc(O)c(O)c3)c(C)nc2c1 159053108 DVHODTZBGICDEI-UHFFFAOYSA-N 322.364 3.193 10 10 DGCE COc1ccc(O)c(CN2CCc3[nH]c4ccccc4c3C2)c1 179643110 TUNHVDCSEXLAMK-UHFFFAOYSA-N 308.381 3.440 10 10 DGCE C[C@@H](NCc1cn(C)nc1C(F)(F)F)c1ccc(F)cc1O 186151670 RGTCKUKYDJLENJ-MRVPVSSYSA-N 317.286 3.134 10 10 DGCE C[C@@H](NC(=O)Nc1ccc(N=Nc2ccccc2)cc1)C(N)=O 255426439 LFJMWNJDLXDDSU-LLVKDONJSA-N 311.345 3.097 10 10 DGCE CC(C)[C@@H](C)OC(=O)/C=C\c1ccc(N2CCOCC2)cc1 255524019 UWUIWKKWSCTSQX-WUKHSURWSA-N 303.402 3.124 10 10 DGCE COc1ccc(N2CCN(C(=O)[C@H](C)C(C)(C)C)CC2)cc1 265192312 AYSWWUYVEXEOHN-AWEZNQCLSA-N 304.434 3.026 10 10 DGCE C[C@H](NC[C@H](O)C(F)(F)F)c1cc(Cl)c(Cl)cc1O 278332577 WNZYDVOJKAGDLS-RRAGMBSWSA-N 318.122 3.273 10 10 DGCE Cc1cc(Cl)cc(CN(CCCO)Cc2ccccn2)c1O 289429047 KINZFBJWQQULKG-UHFFFAOYSA-N 320.820 3.134 10 10 DGCE Cc1cc(CN2CC=C(c3ccnn3C)CC2)ccc1N(C)C 293663403 UEUMIPSZNWKAKI-UHFFFAOYSA-N 310.445 3.084 10 10 DGCE CC1(C)SC[C@H]1NCc1cccc(Br)c1O 390501735 UYNWYMHQEULBRZ-SNVBAGLBSA-N 302.237 3.138 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)c1csc(Br)c1 691685315 JIVULLZBEDQGCN-MRVPVSSYSA-N 315.196 3.426 10 10 DGCE NCc1ccc(N2CCC3(CC2)CC3)c(F)c1Br 706361951 HLYMWLBTOWEZRA-UHFFFAOYSA-N 313.214 3.427 10 10 DGCE Cc1cc(CNCc2c(O)cccc2Br)sn1 706835318 SQZFMOWATAJMHI-UHFFFAOYSA-N 313.220 3.209 10 10 DGCE Cc1cc([N+](=O)[O-])ccc1CN(C)c1ccc2c(c1)OCO2 757878455 ZPNINPVSKXVOPO-UHFFFAOYSA-N 300.314 3.268 10 10 DGCE COc1nn(C)cc1N[C@H](C)c1cc2c(cc1O)CCCC2 788985345 QIDQPVUDJAOEEO-LLVKDONJSA-N 301.390 3.186 10 10 DGCE CCN(CC)c1ccc(CN2CC(C3CCOCC3)C2)cc1 800530754 UEZSSAAYMBLFLL-UHFFFAOYSA-N 302.462 3.391 10 10 DGCE CC(C)NC1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 835027710 NSDXYOKNXUZVFI-AATRIKPKSA-N 301.478 3.228 10 10 DGCE CC[C@@](C)(CC(=O)OC)NC/C=C\c1ccc(N(C)C)cc1 835048399 RAZCAMXUZCQWFJ-ZEVQVBBLSA-N 304.434 3.087 10 10 DGCE COc1ccc2ccc(O)c(CN3C[C@@H]4[C@H](C3)C4(F)F)c2c1 844752230 GQAMIKLTVAHSQA-GASCZTMLSA-N 305.324 3.251 10 10 DGCE Oc1ccc(Br)cc1CN1CC[C@]2(C1)CC2(F)F 846118763 YVRAZANMWUPEJS-GFCCVEGCSA-N 318.161 3.386 10 10 DGCE COc1cc(N(C)Cc2c(C)nsc2C)cc(OC)c1OC 846808440 ZZFDHZPMCRHMGQ-UHFFFAOYSA-N 322.430 3.422 10 10 DGCE COc1ccc(N2CC[C@H](N[C@@H](C)CCc3ccco3)C2)cc1 850489246 SFVGLCYAFVKOFK-HOTGVXAUSA-N 314.429 3.478 10 10 DGCE COC(=O)c1ccc(O)c([C@@H](C)NCC[C@]2(C)CC2(F)F)c1 850535768 BEXUXLAUHMKTKM-MEBBXXQBSA-N 313.344 3.265 10 10 DGCE CN1CCCC[C@H](CNC/C=C/c2ccc(N(C)C)cc2)C1 858245116 CHNMUBOTCVZDLO-JHTBKMLMSA-N 301.478 3.087 10 10 DGCE COC[C@@H](CC(C)(C)C)NC(=O)N[C@H](C)c1ccccc1O 868752529 POCJLYRQPXXYOS-CHWSQXEVSA-N 308.422 3.204 10 10 DGCE CC[C@@H](NCc1cc(Cl)cc(OC)c1O)[C@H]1CCCOC1 895665029 WZMFCAIATWSUJE-SMDDNHRTSA-N 313.825 3.349 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H](N3CCC3)C2)cc1 912925568 MZBFHXWBKWWCSB-IBGZPJMESA-N 323.440 3.014 10 10 DGCE c1cc2c(cc1N(C[C@H]1CCCO1)C[C@H]1CCCO1)CCC2 914867440 WFIYHTZKNGWMOT-RTBURBONSA-N 301.430 3.340 10 10 DGCE C[C@H](O)[C@@H](NCc1ccc2c(c1)CCCO2)c1ccccc1F 922215339 GJAIIEWICXEGKX-ORAYPTAESA-N 315.388 3.362 10 10 DGCE CN(Cc1ccccc1O)C(=O)NCC[C@@H]1CCC2(CCC2)O1 927728169 KGOLXOPQNUXQRO-HNNXBMFYSA-N 318.417 3.025 10 10 DGCE CCO[C@@H](C(=O)NCc1ccc(N(CC)CC)c(F)c1)C(C)C 1136730502 RTIRAOOTFBIWQR-QGZVFWFLSA-N 324.440 3.349 10 10 DGCE O=C(NCc1c(O)cccc1O)[C@H]1CCc2c(Cl)cccc21 1178912302 RKVNSIGDODVRPZ-LBPRGKRZSA-N 317.772 3.097 10 10 DGCE c1cc(N2CCCC2)ccc1CNC[C@@H]1CC2(CCC2)CO1 1331538413 YTXGUHVDZYWGLM-SFHVURJKSA-N 300.446 3.336 10 10 DGCE CN(OCc1ccccc1)C(=O)c1ccc(N=NC(N)=O)cc1 1446528492 DTQFOFWIJWQFFQ-UHFFFAOYSA-N 312.329 3.053 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc2c(o1)CCCC2 1467841617 ZFOZKBANZGUMSW-UHFFFAOYSA-N 320.385 3.280 10 10 DGCE CCC(C)(C)C(=O)N[C@@H](C)[C@H](C)NCc1ccc(OC)c(C)c1 1485185863 AASRBNPYJUGJDM-GJZGRUSLSA-N 320.477 3.423 10 10 DGCE Cc1c(C(=O)NCc2cc(O)ccc2O)oc2ccc(F)cc12 1558174260 INXOTAMRNNLTJS-UHFFFAOYSA-N 315.300 3.222 10 10 DGCE C[C@@H]1CN(Cc2ccc(Cl)cc2O)C[C@@](C)(C(F)F)O1 1560938364 CLYPNVZPGQAPQU-OTYXRUKQSA-N 305.752 3.290 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCCC12CCCCC2 1629302045 MWXUAZMQCGILRT-INIZCTEOSA-N 303.402 3.260 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)NC2(Cc3ccccc3)CC2)cc1 1638955705 BOIYTXOHLHXLIA-UHFFFAOYSA-N 322.368 3.354 10 10 DGCE C=C/C(C)=C\CC(=O)N[C@@H](C)CNCc1ccc(OC)c(C)c1 1715989647 GUIWXILMZNYIIK-VFXTVZEFSA-N 316.445 3.120 10 10 DGCE C[C@H](Oc1ccc(N)cc1)C(=O)Nc1cccc2cccnc12 1860078213 IDVMMKSQYBNRPD-LBPRGKRZSA-N 307.353 3.223 10 10 DGCE CN(Cc1ccc(N)cc1)c1cc(F)c(Br)cc1N 1876366032 HZQYERNSRIQPBK-UHFFFAOYSA-N 324.197 3.389 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@@H](Nc1ccccc1N)C2 1894518575 RMIMUQVHFRXLJZ-XEZPLFJOSA-N 317.433 3.326 10 10 DGCE c1ccc(COc2ccc(N3CC([C@@H]4CCNC4)C3)cc2)cc1 1899852396 PDABVLWSTPAYGA-QGZVFWFLSA-N 308.425 3.311 10 10 DGCE C[C@H](N)c1ccc(N(C)CCOC2CC2)cc1Br 1914547171 FLTUOLKUOXMWEU-JTQLQIEISA-N 313.239 3.084 10 10 DGCE N[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C2(CCC2)C1 1925224662 YCRVJLLJIMAOMD-LLVKDONJSA-N 301.217 3.155 10 10 DGCE Cc1ccc(O)c([C@H]2[C@H](C(=O)O)CCN2C(=O)OC(C)(C)C)c1 1952792931 JQSNZTFHLOTQTG-BXUZGUMPSA-N 321.373 3.083 10 10 DGCE C/C=C/C[C@H](NC(=O)OC(C)(C)C)[C@H](N)c1ccccc1O 1974794747 ADBJLQSKUUJKNK-XPKDBEDXSA-N 306.406 3.252 10 10 DGCE CC[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN1CCCN=[N+]=[N-] 1982247906 NKHAYTLVZQTRBL-HZSPNIEDSA-N 323.441 3.264 10 10 DGCE OCc1ccc(N2C[C@H]3C[C@H]2C(F)(F)C3)cc1Br 2038340530 ZKSQARFCSUMZHR-UFBFGSQYSA-N 318.161 3.175 10 10 DGCE CN1CCCc2cc(CNCC3(Br)CC3)ccc21 2049206655 HJMYZBPKIVLZEJ-UHFFFAOYSA-N 309.251 3.086 10 10 DGCE C[C@H](NCc1ccccc1O)c1ncccc1Br 2056546612 HWGQODFLKRWCRP-JTQLQIEISA-N 307.191 3.401 10 10 DGCE COC(=O)c1cc(C(C)C)nn1Cc1cc(Cl)ccc1O 2069958239 CDYLGKZKAVJUPU-UHFFFAOYSA-N 308.765 3.200 10 10 DGCE CN(Cc1ccc(N)cc1)c1ccc(N)cc1Br 2071644987 WRBCRGYEZVCJBE-UHFFFAOYSA-N 306.207 3.250 10 10 DGCE C[C@@H](N)c1ccc(N(C)Cc2c(Cl)ncn2C)c(Cl)c1 2168145427 NIWDVGLGYDZCJN-SECBINFHSA-N 313.232 3.383 10 10 DGCE CN(Cc1ccc(Cl)cc1O)[C@@H]1CO[C@H](C(F)(F)F)C1 2185542879 NQFCOBVYVSEBSH-JQWIXIFHSA-N 309.715 3.197 10 10 DGCE Cc1cc(Br)cc([C@@H](O)[C@H](N)c2ccccc2O)c1 2228998157 XNHJMDSUVIBRFY-HUUCEWRRSA-N 322.202 3.197 10 10 DGCE CNCc1ccc(N(C)CC2(F)CCOCC2)cc1Cl 2238279372 LZUWDZODMMEPTK-UHFFFAOYSA-N 300.805 3.014 10 10 DGCE Oc1cccc(Br)c1CN[C@@H]1CCC[C@H]1CF 2251060634 LFGFGIFYTAKCBY-JOYOIKCWSA-N 302.187 3.383 10 10 DGCE CCCNCc1ccc(N(C)Cc2nncs2)c(Cl)c1 2281379935 CHNPSOOJPJPPOZ-UHFFFAOYSA-N 310.854 3.328 10 10 DGCE CSc1ncc(CNCC[C@H](CN)c2ccccc2)s1 2284720908 JQQBXDUZKHOCNJ-CYBMUJFWSA-N 307.488 3.087 10 10 DGCE Cc1ccc(CN[C@@H]2CSC[C@H]2C)c(O)c1Br 2307478330 WWUTVIZQUOHDIX-MWLCHTKSSA-N 316.264 3.304 10 10 DGCE Cc1ccn2c(N=Nc3cccc(C(=O)O)c3)c(C(=O)O)nc2c1 2320768888 OPWGWNOSBDGSOL-UHFFFAOYSA-N 324.296 3.455 10 10 DGCE NC[C@]12C[C@H](CCN1Cc1cc(Cl)cc(Cl)c1O)C2 2340775740 OZHZEWWDIFMKOP-DEZZCRIOSA-N 301.217 3.012 10 10 DGCE CCN(CC)CCCNCc1cc(Cl)c(O)c(Cl)c1O 76275702 ABUUJRGWCGGUDF-UHFFFAOYSA-N 321.248 3.226 10 10 DGCE CCN(CC)c1ccc(CN2[C@H]3CC[C@@H]2CC(O)C3)cc1F 126633663 KZEYFDDNIQJPAO-XYPWUTKMSA-N 306.425 3.160 10 10 DGCE C[C@H](N)c1ccc(N2CC[C@@H]3[C@H](CCCN3C)C2)cc1Cl 166672120 KTAQKCFMVDNBRZ-OGHNNQOOSA-N 307.869 3.280 10 10 DGCE C[C@@H](N[C@@H](CN(C)C)c1ccccc1)c1ccc(F)cc1O 170788910 VVBLAEKWJILUHQ-DYVFJYSZSA-N 302.393 3.485 10 10 DGCE CCO[C@H]1C[C@H](NCc2cc(C)c(C)cc2O)C12CCOCC2 185652591 QTEZOPSZABDMLE-ROUUACIJSA-N 319.445 3.073 10 10 DGCE CN(C)c1ccc(CN(C[C@@H]2CCCO2)[C@@H]2CCSC2)cc1 193454873 IILUOZSUKOVYMW-MSOLQXFVSA-N 320.502 3.239 10 10 DGCE COc1ccc(O)c(CN2C[C@@H](C)O[C@H](c3ccsc3)C2)c1 245638703 CUKNEOWBLWULIO-PXAZEXFGSA-N 319.426 3.424 10 10 DGCE CCO[C@@H]1C[C@H](N[C@@H](CC)c2ccccc2O)C12CCOCC2 248544583 DPXQHJOQHMZNNR-RYQLBKOJSA-N 319.445 3.407 10 10 DGCE CO[C@@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)CC[C@@H]1C 249959023 WCZJDPAZHYLSRG-BLLLJJGKSA-N 307.434 3.252 10 10 DGCE CNCc1cc(F)c(N2CCC[C@H](SC)CC2)c(F)c1 312676498 YPSRHBPEWLMVGA-LBPRGKRZSA-N 300.418 3.406 10 10 DGCE CCNCc1ccc(N2CCC[C@H](F)C2)cc1Br 689462677 OUCUXBJBTSRCTB-LBPRGKRZSA-N 315.230 3.497 10 10 DGCE Nc1ccc(C[C@H](O)Cc2ccc(F)cc2Br)cc1 696529143 OQPBRJNGDVTHLL-AWEZNQCLSA-N 324.193 3.317 10 10 DGCE Cc1cc(N(C)Cc2cncc(Br)c2)ccc1CN 705555850 LPIZRJQQCBPRCE-UHFFFAOYSA-N 320.234 3.248 10 10 DGCE CCN(c1ccc(CN)c(Br)c1F)C1CCC1 706810101 JUKNBTULVBKWDW-UHFFFAOYSA-N 301.203 3.426 10 10 DGCE CCNCc1cc(F)c(N(C)C[C@H]2CCCS2)c(F)c1 718229650 GSXWJWMTZQZOGR-GFCCVEGCSA-N 300.418 3.406 10 10 DGCE CO[C@H]1CC[C@H]1N(C)c1ccc([C@@H](C)O)cc1Br 724149969 IELUDSJMKZLAPN-FZQKWOKYSA-N 314.223 3.116 10 10 DGCE COC(=O)/C=C\c1ccc(N(C)[C@H](C)C(C)C)c([N+](=O)[O-])c1 733186972 MJFYKBPYZRANNY-ZVTBTPLYSA-N 306.362 3.262 10 10 DGCE COC(=O)N1CCC[C@H]([C@H](C)N[C@H](C)c2ccc(C)cc2O)C1 775579837 PQSUIANVDXXLES-ZNMIVQPWSA-N 320.433 3.218 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)Nc1nc2c(F)cccc2o1 784365108 DDWXJBMFDFCOEC-VIFPVBQESA-N 302.305 3.421 10 10 DGCE O=C(C=C1CCCC1)NCc1cc(Br)ccc1O 804737922 VINNXUQCGKGIEZ-UHFFFAOYSA-N 310.191 3.271 10 10 DGCE CCOC[C@@H](O)COc1ccc(N2CCCCC2)c(Cl)c1 817570956 LNTGPKODDQNEHD-CYBMUJFWSA-N 313.825 3.107 10 10 DGCE Cc1ccccc1[C@H](O)CNCCCSc1nccs1 819064244 UZQPJDXJQSCUCY-CQSZACIVSA-N 308.472 3.257 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCOc3ccc(O)cc3C2)cc1 827655656 ADHSAJWAVSCYHB-ARJAWSKDSA-N 324.424 3.366 10 10 DGCE CC(C)c1nnc(NCc2cc(Br)ccc2O)o1 828194264 GTPOWBBQXYHOIX-UHFFFAOYSA-N 312.167 3.273 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)N1CC(C(C)(C)C)C1 838480284 XAWGEAIHFIYZHQ-UHFFFAOYSA-N 303.450 3.249 10 10 DGCE COc1ccccc1[C@H](O)CNCc1c(O)cc(C)cc1Cl 840882455 OHHUSJRUTXLLEP-MRXNPFEDSA-N 321.804 3.186 10 10 DGCE CCN(CC)c1ccc(CNCCC2(CO)CCC2)cc1F 846102566 NXCBRPRXSMTBHX-UHFFFAOYSA-N 308.441 3.314 10 10 DGCE COc1c(C)cccc1CNC(=O)N(C)Cc1ccccc1O 847419294 RMJNVFUXBAKLAQ-UHFFFAOYSA-N 314.385 3.051 10 10 DGCE COC[C@@H](CN(C)c1ccc(OCc2ccccc2)cc1)OC 851966155 ZFLNLNJEGRHRNO-LJQANCHMSA-N 315.413 3.363 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCC[C@@H](C)C3)C2)cc1 855230689 HXMLKHUMAJLPFP-PMPSAXMXSA-N 316.445 3.216 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)[C@H](C)C3CCCC3)C2)cc1 855231080 JGDVSXUBNACWAP-ZBFHGGJFSA-N 316.445 3.216 10 10 DGCE COC(=O)c1cnc(SC[C@@H]2CCC(C)(C)CO2)s1 865369298 QLMRNRZNSFLBIP-VIFPVBQESA-N 301.433 3.227 10 10 DGCE CCSc1cccnc1C(=O)N1Cc2cccc(O)c2C1 871205731 KLNWKSVFMOQMSG-UHFFFAOYSA-N 300.383 3.055 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)CCCc2nccs2)c1 1137473644 QBLLGGOOYZURNW-NSHDSACASA-N 320.414 3.057 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)c1cc(-c2ccco2)on1 1146233496 UYGUGEGNWFGOLK-UHFFFAOYSA-N 318.716 3.224 10 10 DGCE COc1ccc(SCC(=O)N2Cc3cccc(O)c3C2)cc1 1175029559 HTYBICNINUMTTF-UHFFFAOYSA-N 315.394 3.035 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)N2CCCc3occc3C2)cc1 1450747073 QIVBRHOAYWQPOG-UHFFFAOYSA-N 312.329 3.031 10 10 DGCE CC(=O)c1ccc(C(=O)NCc2cccc(Cl)c2O)cc1C 1457035915 LUGFBAODFMNNMW-UHFFFAOYSA-N 317.772 3.487 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC/C=C/C1CC1 1470343812 QZDXHWYUTGTXHA-NFAHFFEMSA-N 315.461 3.257 10 10 DGCE C[C@@H]1CC/C(=C\C(=O)N2CCOc3cc(N(C)C)ccc32)C1 1532657166 UXUUWJRFHCBSCE-MBFWDRTGSA-N 300.402 3.224 10 10 DGCE C[C@H](C(=O)NCc1c(O)ccc2c1CCCC2)c1ccccn1 1566359499 FLNOTGDFOPICND-ZDUSSCGKSA-N 310.397 3.086 10 10 DGCE Cc1ncncc1C(=O)NCc1cc(C)n(-c2ccccc2)c1C 1596481851 IAEPCFXGZIANEC-UHFFFAOYSA-N 320.396 3.123 10 10 DGCE Cc1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)sc1C=O 1598029887 XVUPTECGIZOFRO-UHFFFAOYSA-N 320.389 3.004 10 10 DGCE C[C@H]1CN(C(=O)/C=C\c2cccnc2)c2cc(F)c(F)cc2O1 1617199881 LKYZXORJINQMGF-WYGGZMRJSA-N 316.307 3.187 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)c2c(Cl)ccnc2F)c1 1630373879 VHQZQJLSLRDWGC-MRVPVSSYSA-N 324.739 3.079 10 10 DGCE O=C(c1ccsn1)N(Cc1ccco1)Cc1ccccc1O 1631143563 UNWDGQJDKRSATA-UHFFFAOYSA-N 314.366 3.284 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1C[C@H]2CCC[C@@H]21 1684670513 WFYAHUDBVWREGF-UKPHBRMFSA-N 314.429 3.259 10 10 DGCE O=C(O)[C@@]1(Sc2nccs2)CC[C@H]1OCc1ccccc1 1893523595 UNKGHSQIDIGITA-IUODEOHRSA-N 321.423 3.438 10 10 DGCE C[C@H](C(=O)O)N(Cc1ccccc1)[C@H](C)c1ccc(O)cc1O 1902365974 MKECIDYUMVXMGR-CHWSQXEVSA-N 315.369 3.134 10 10 DGCE CN(CCN=[N+]=[N-])CC(=O)Nc1cccc(Cl)c1Cl 1912174432 ZCYIVSOBADRRSY-UHFFFAOYSA-N 302.165 3.174 10 10 DGCE CC[C@@]1(F)CCN(c2ccc(CO)c(Br)c2)C1 1925566840 RLLJCAAFFSBQSX-CYBMUJFWSA-N 302.187 3.270 10 10 DGCE COc1ncc(Br)cc1NCc1ccccc1O 1963452015 RSNJCDGSJYJQJZ-UHFFFAOYSA-N 309.163 3.170 10 10 DGCE COc1ccc(Br)c(CN[C@@H]2CC[C@@H]3C[C@@H]32)c1O 1964075776 COBPCAINTYEIBA-VDDIYKPWSA-N 312.207 3.051 10 10 DGCE Cc1cccc(N)c1N[C@@H]1C[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C 1977665173 VAPFMUPVXQITNC-BPLDGKMQSA-N 317.433 3.387 10 10 DGCE CCNCCCN(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 1978853506 MWUCFYZBXKMMQX-UHFFFAOYSA-N 321.465 3.147 10 10 DGCE CN(Cc1ccc(N)cc1)Cc1ccn(Cc2ccccc2)n1 1992772061 XMHTVNDCNPOEAC-UHFFFAOYSA-N 306.413 3.146 10 10 DGCE Cc1sc(Br)nc1CN1CC[C@@H](CN=[N+]=[N-])C1 2004969389 MNZYFFSUEGGUIG-QMMMGPOBSA-N 316.228 3.346 10 10 DGCE CN(c1cc(Br)c(CN)cc1F)C1(C)CCC1 2018412828 DVQHTEAJSRJHOE-UHFFFAOYSA-N 301.203 3.426 10 10 DGCE C[C@@H](Nc1c(Br)cnn1C)c1ccc(F)cc1O 2038255113 KDGYQWBHDAKLNT-SSDOTTSWSA-N 314.158 3.200 10 10 DGCE O=C1C(=Cc2ccccn2)SC(=S)N1Cc1ccco1 2053496816 MGCPUYVEJXVKDV-UHFFFAOYSA-N 302.380 3.076 10 10 DGCE C[C@H](N)c1ccc(N2C[C@@H]3C[C@@H]3[C@@H]3C[C@@H]32)cc1Br 2053731502 WKYOMPVZTNEWKI-UDVZWPTNSA-N 307.235 3.313 10 10 DGCE Cc1cc(Cl)n(Cc2ccc(Br)cc2O)n1 2070036128 SPNQMVPZRDLGAA-UHFFFAOYSA-N 301.571 3.361 10 10 DGCE CC(C)Cc1cnn(Cc2cc(Br)ccc2O)c1N 2070261870 HJEWJICBMNUGAO-UHFFFAOYSA-N 324.222 3.180 10 10 DGCE CC[C@H](c1ccc(C)cc1O)n1nc(C(F)(F)F)c(N)c1N 2079041964 BNLJZSSBTULLGR-SECBINFHSA-N 314.311 3.080 10 10 DGCE COc1ccc(Cn2nc(C3CCC3)c(C3CC3)c2N)c(O)c1 2079754278 ZREMRTPQGCGCSI-UHFFFAOYSA-N 313.401 3.373 10 10 DGCE C[C@H](N)c1ccc(N2Cc3ncsc3C2)c(Br)c1 2081613064 ZXCUPOYHXDQMOK-QMMMGPOBSA-N 324.247 3.446 10 10 DGCE COC[C@@](C)(CN(C)[C@@H](C)c1ccc(Cl)cc1O)OC 2203363275 RFTBGMIAJSZUAE-XHDPSFHLSA-N 301.814 3.090 10 10 DGCE C[C@H](N)c1ccc(N(C)C[C@H](F)[C@@H]2CCOC2)cc1Cl 2238325105 XQKHKJVFVBRYGV-RWSFTLGLSA-N 300.805 3.171 10 10 DGCE CN1C(=O)C(=Cc2ccc(Cl)c([N+](=O)[O-])c2)SC1=S 2297212675 COHSHASOWICZRH-UHFFFAOYSA-N 314.775 3.079 10 10 DGCE Cc1ccc(N2C(=O)C(=Cc3cocn3)SC2=S)cc1 2311527297 JRXLBOKREYLWBS-UHFFFAOYSA-N 302.380 3.389 10 10 DGCE CC[C@@H](C[C@@H](C)O)NCc1ccc(C)c(Br)c1O 2327631348 PNABZQQPHXXGAP-PWSUYJOCSA-N 316.239 3.102 10 10 DGCE NN[C@H](c1ccccc1O)c1c(Cl)cc(F)cc1Cl 2340795582 HPFMHKONUDAZBD-CYBMUJFWSA-N 301.148 3.391 10 10 DGCE CN1CCN([C@@H](c2ccccc2O)c2c[nH]c3ccccc23)CC1 71704387 CKLNPIJDRNOPGU-FQEVSTJZSA-N 321.424 3.210 10 10 DGCE CN(C)c1ccc(CNC(=O)N2C[C@H]3CCCC[C@@H]3C2)cc1F 78917971 ROCWWJRMRAPTMB-HUUCEWRRSA-N 319.424 3.223 10 10 DGCE C[C@@H](CCc1ccccc1)N[C@H](C)C(=O)c1ccc(O)c(O)c1 34190059 OCQANZCXFMVTBZ-UONOGXRCSA-N 313.397 3.280 10 10 DGCE COc1cccc(F)c1NC(=O)N(C)Cc1ccccc1O 186173983 JJNGBQVNKQMUHR-UHFFFAOYSA-N 304.321 3.204 10 10 DGCE Cc1ccc2nc(CC(=O)O)c(/N=N\c3cccc(O)c3)n2c1 71590216 PDTPBZCOWBUCMJ-HNENSFHCSA-N 310.313 3.391 10 10 DGCE Cc1ccc(O)c([C@H](C)NC2CCN(c3ccccn3)CC2)c1 192709548 VVQCGVVEYKMRTB-HNNXBMFYSA-N 311.429 3.415 10 10 DGCE CC[C@@H]1CC[C@@H](C)N1c1cc2c(cc1Cl)[C@@H](NC)C(=O)N2 224210466 NDHKBSPIPSIMEI-IQMDTDKHSA-N 307.825 3.320 10 10 DGCE Nc1ccc(CCN2CC[C@@H](COCc3ccccc3)C2)cc1 383873814 YGGZJJGMOSLQRO-LJQANCHMSA-N 310.441 3.350 10 10 DGCE Oc1ccc(Cl)c(F)c1CN1CCC(c2ccn[nH]2)CC1 191303811 VODRKQMOPSRKSP-UHFFFAOYSA-N 309.772 3.287 10 10 DGCE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(N2CCN(C)CC2)cc1 238429551 JKAUMFPLCIAGFG-CQSZACIVSA-N 319.449 3.024 10 10 DGCE CCCNCc1ccc(N(C)CCOC)cc1Br 233104325 BFAJECIYRIWBAJ-UHFFFAOYSA-N 315.255 3.031 10 10 DGCE O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(O)c(O)c1 243031109 IACNHEQKMCLKQF-UHFFFAOYSA-N 312.369 3.340 10 10 DGCE NCc1ccc(N2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)cc1 2213938304 GKZXBBHTYOKMDI-OYRHEFFESA-N 321.468 3.389 10 10 DGCE Oc1ccccc1CNc1cc(N2CCc3ccccc32)ncn1 813591501 YJJSFLKLMJJHNV-UHFFFAOYSA-N 318.380 3.489 10 10 DGCE O=C(c1cccc(O)c1O)N1CC[C@H](c2cccc(Cl)c2)C1 817597948 LEMWZVSHNZRDJL-LBPRGKRZSA-N 317.772 3.381 10 10 DGCE CC(C)[C@@H](NC[C@@H](N)c1ccc(N(C)C)cc1)c1cccnc1 817944146 XOZWQGRAHZERDQ-RTBURBONSA-N 312.461 3.134 10 10 DGCE CN(C)c1ccc(CNC(=O)[C@H]2CCCC3(CC3)C2)cc1F 824670000 SSKLHQMFKRUHFH-AWEZNQCLSA-N 304.409 3.478 10 10 DGCE COc1ccc(N2CCN(C(=O)[C@H]3CC[C@H](C)CC3)CC2)cc1 844279287 FIFFQLZJBHQXHP-WKILWMFISA-N 316.445 3.170 10 10 DGCE CC(C)(C)n1ccc(C(=O)NCCCSc2nccs2)n1 847487850 MHGPNLOLKBHIEG-UHFFFAOYSA-N 324.475 3.007 10 10 DGCE COc1cc(Cl)cc(CN[C@H]2C[C@H](OC(C)(C)C)C2)c1O 848926624 UIPUQTHGPWFSFA-JOCQHMNTSA-N 313.825 3.490 10 10 DGCE CC1(C)CCC[C@H]1[C@H]1CCN(C(=O)Cc2ccc(N)cc2)C1 843503302 BPXKBSJCOYTBDF-RDJZCZTQSA-N 300.446 3.486 10 10 DGCE Cc1cc(O)c(CN[C@@H](C2CC2)[C@@H](CO)C2CC2)c(Cl)c1 840951153 TXLOTSJGEOLQKX-YOEHRIQHSA-N 309.837 3.241 10 10 DGCE Oc1ccccc1CN(Cc1cc2n(n1)CCC2)Cc1ccco1 844306570 KDVZVBKNJBIGJB-UHFFFAOYSA-N 323.396 3.330 10 10 DGCE CC(C)(C)OC(=O)c1cncc(NC(=O)c2cc(O)cs2)c1 855046444 CWHQIYVTSTZLRT-UHFFFAOYSA-N 320.370 3.056 10 10 DGCE COc1ccc(N2CCCN(CC3C[C@H]4C[C@@H]4C3)CC2)cc1 851732951 DYJFXWDVBFDGNB-IRXDYDNUSA-N 300.446 3.253 10 10 DGCE CNCc1ccc(N2CC(CC3CC3)C2)cc1Br 699603736 SXXMEUJGYGZBRS-UHFFFAOYSA-N 309.251 3.405 10 10 DGCE CC1(C)[C@H](CNC(=O)NCc2cc(Cl)ccc2O)C1(F)F 852628738 UTYSCPPWTDFTRE-NSHDSACASA-N 318.751 3.136 10 10 DGCE CN(C)c1ccc(CNCc2ccnn2CC2CCC2)cc1F 865437446 MKLDGHMSYJXRNH-UHFFFAOYSA-N 316.424 3.178 10 10 DGCE Cc1cc(C)cc(CN(C)Cc2cc3c(cc2O)OC[C@H]3O)c1 766090127 HWRGXTVJHAJQTN-GOSISDBHSA-N 313.397 3.067 10 10 DGCE Cc1ccc(N(CC2CC2)C(=O)/C=C\c2cnccn2)cc1F 863600699 SRTAUJNXTYLOJT-ALCCZGGFSA-N 311.360 3.381 10 10 DGCE C[C@@H](Nc1nccc(-c2ccnn2C)n1)c1ccc(N(C)C)cc1 865685154 UGADEECQRGUHDW-CYBMUJFWSA-N 322.416 3.116 10 10 DGCE CC[C@@H]1CCCC[C@@H]1OCC(=O)N1Cc2cccc(O)c2C1 871203510 AYKLMSGNCNTYFC-DYVFJYSZSA-N 303.402 3.220 10 10 DGCE Oc1c(F)cc(Cl)cc1CN1CCC[C@H]([C@@H]2CCOC2)C1 775740315 UOZUCRCNKUMEIE-NWDGAFQWSA-N 313.800 3.433 10 10 DGCE O=C(N[C@@H]1CCCC[C@@H]1F)c1cc2cc(O)c(O)cc2s1 899162403 AMSJMBAMHWUJCP-VHSXEESVSA-N 309.362 3.323 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](Nc3ccccc3N)[C@H]1C2 1959360112 VYSHGDZLTUVLDU-TUKIKUTGSA-N 303.406 3.079 10 10 DGCE Cn1cnc2cc(NCc3ccc4c(c3)sc(=O)n4C)ccc21 793052439 UUHFRCNKLTXRIE-UHFFFAOYSA-N 324.409 3.099 10 10 DGCE CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NCc1c(O)cccc1O 1304053464 LOBGSPHTZKWDKV-IGCXYCKISA-N 321.417 3.088 10 10 DGCE CCc1noc(C)c1C(=O)NCc1c(O)ccc2ccccc12 1179028670 BQXQNDZFHGOYEO-UHFFFAOYSA-N 310.353 3.334 10 10 DGCE CN(C)c1ccc([C@@]2(C)[C@@H](N)CCN2Cc2ccccc2)cc1 712040312 LXXIFXQLACTXDM-PMACEKPBSA-N 309.457 3.201 10 10 DGCE CCCCC(=O)N1C[C@H](NCc2ccc(OC)c(C)c2)C[C@H]1C 1283946798 PYNYYPWINAXVAZ-NVXWUHKLSA-N 318.461 3.273 10 10 DGCE Cc1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)nc1C 1294869867 OODRGTMMHDWBEE-UHFFFAOYSA-N 310.397 3.213 10 10 DGCE Cc1ncc(/C=C/C(=O)NCc2cc(Cl)ccc2O)s1 1628680562 MXOUUIHTHFSJHD-HWKANZROSA-N 308.790 3.140 10 10 DGCE CC/C(C)=C\C(=O)N(C)C[C@@H](C)NCc1ccc(OC)c(C)c1 1774115488 JNEBJICUDHSLGO-SCOADAFUSA-N 318.461 3.296 10 10 DGCE COc1cc(N(C)CCCN2CCCCC2)cc(OC)c1OC 161239098 DPOHVHNASFIYDJ-UHFFFAOYSA-N 322.449 3.025 10 10 DGCE CN(C[C@@H]1CCCCO1)c1ccc(CN)cc1C(F)(F)F 163690507 YGCUIGIZMBAALE-LBPRGKRZSA-N 302.340 3.169 10 10 DGCE O=C1/C(=C\[C@H]2CC=CCC2)SC(=S)N1C[C@H]1CCCO1 5376562 RMUGCXRQFPCRGN-PBZFIDODSA-N 309.456 3.266 10 10 DGCE CCC1=NN(Cc2ccc(F)cc2)C(=O)/C1=C/c1ccccn1 1865672596 FYGKJPUPKHIWMK-LFIBNONCSA-N 309.344 3.413 10 10 DGCE CCCN[C@@H](c1ccccc1O)[C@H](C)NC(=O)OC(C)(C)C 1928473435 BDZAXLHGGREFMW-SWLSCSKDSA-N 308.422 3.346 10 10 DGCE CN[C@H](c1ccccc1O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C 1936973413 JZHNKVFXXFAQNW-IOASZLSFSA-N 320.433 3.298 10 10 DGCE CN(Cc1cnc(Br)s1)c1ccc(CN)cc1 1940315599 SBHUQCNNUZWLAX-UHFFFAOYSA-N 312.236 3.001 10 10 DGCE Cc1cc(N2CC[C@H](N(C)Cc3ccccc3)C2)ccc1CCN 1946812320 ALAZOWVYRNZSFY-NRFANRHFSA-N 323.484 3.207 10 10 DGCE O=S(=O)(CCc1ccccc1)Nc1ccc(O)cc1Cl 149453873 QWUFBJNCBPVJLP-UHFFFAOYSA-N 311.790 3.030 10 10 DGCE Cc1ccc([C@@H]2[C@H](C(=O)O)CCN2C(=O)OC(C)(C)C)c(O)c1 1952821160 NEGVLKLDOCGBDN-TZMCWYRMSA-N 321.373 3.083 10 10 DGCE C[C@H](N[C@@H]1C=CCN(C(=O)OC(C)(C)C)C1)c1ccccc1O 1971832640 CGJUVUYISYDSIK-UONOGXRCSA-N 318.417 3.218 10 10 DGCE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(Cc2ccc(N)cc2)C1 1977925975 KDBRIEXNIQJCBH-DZGCQCFKSA-N 319.449 3.004 10 10 DGCE CC(C)N(C[C@@H](N)c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C 1977945969 RZAYUGFFHFPLSY-MRXNPFEDSA-N 321.465 3.398 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)c2cc(Cl)ncc2Cl)C1 701323716 YNQWHNSFZCZQSE-ZETCQYMHSA-N 300.149 3.303 10 10 DGCE CCOC(=O)c1cc(C2CC2)nn1[C@@H](C)c1c(O)cccc1F 2069925213 ILQZYRRYPKGFHI-JTQLQIEISA-N 318.348 3.391 10 10 DGCE Cc1ccc([C@H](C2CC2)n2nc(C(C)(C)C)c(N)c2N)c(O)c1 2079035474 FJUPDFDYHPKJCD-HNNXBMFYSA-N 314.433 3.358 10 10 DGCE CCCC1(O)CCN(c2cc(Cl)c(CN)cc2F)CC1 2177380223 CCUPXWMFJVLCSD-UHFFFAOYSA-N 300.805 3.069 10 10 DGCE C[C@@H](O)c1cc(F)c(N2CC[C@H](P(C)(C)=O)C2)c(F)c1 2194517892 MRZHJPMZOSJZOM-KOLCDFICSA-N 303.289 3.220 10 10 DGCE CC[C@]12C[C@H]1CN(c1cc(Br)c(CN)cc1F)C2 2048605888 QETBNZLUQSGASC-IINYFYTJSA-N 313.214 3.283 10 10 DGCE C[C@@H](O)c1ccc(N2CC(O)(c3cccs3)C2)c(Cl)c1 2193353037 HHEOGQNNMLOJPN-SNVBAGLBSA-N 309.818 3.163 10 10 DGCE CC[C@H]1CC[C@@H](CNCc2ccc(Br)cc2O)O1 2081665056 AGOYPBCHEJVPSE-STQMWFEESA-N 314.223 3.202 10 10 DGCE CCCN[C@](CSc1nccs1)(C(=O)OC)C(C)(C)C 2207883930 INDRTCYQTLNURK-CQSZACIVSA-N 316.492 3.193 10 10 DGCE COc1ccc(Br)c(CN[C@H]2C[C@H]3C=C[C@H]2C3)c1O 2227749992 IBKRRMFJTVUUNR-KWBADKCTSA-N 324.218 3.218 10 10 DGCE COc1cc(N=Nc2ccc(C(=O)O)cc2)cc(C=O)c1O 1081393637 QZNOZANQIVUESR-UHFFFAOYSA-N 300.270 3.327 10 10 DGCE Cc1ccc(CN(C)CC(F)(F)F)c(O)c1Br 2307566464 WMJNRFULIDUQHC-UHFFFAOYSA-N 312.129 3.457 10 10 DGCE Oc1c(Br)cccc1CN[C@H]1C[C@@H]2C[C@H]1C[C@@H]2F 2308606909 TWZXHQLPQMAQKE-UKJIMTQDSA-N 314.198 3.381 10 10 DGCE COc1ccc(Br)c(CN2C[C@@H]3CC[C@H]2C3)c1O 2312417314 JEWZNZYNQDXJDE-ZJUUUORDSA-N 312.207 3.148 10 10 DGCE Cc1ccc(CN2CC3CC2(CF)C3)c(O)c1Br 2327614835 GYZGJLQTKLQDOY-UHFFFAOYSA-N 314.198 3.397 10 10 DGCE CNC(=O)c1ccc(NCc2cc(Cl)ccc2O)c(C)c1 37127897 KXVWOECIMXSGFU-UHFFFAOYSA-N 304.777 3.326 10 10 DGCE Clc1nc(Sc2nccs2)nc(N2CCCCC2)n1 61544207 RQDFUFFKDWEPSE-UHFFFAOYSA-N 313.839 3.123 10 10 DGCE COc1ccc2c(c1)C(=O)N(C1CC1)[C@@H](c1ccccc1O)N2 106899785 CSNSHYBTGWVGPI-KRWDZBQOSA-N 310.353 3.130 10 10 DGCE CNCc1ccc(N2CCCO[C@@H](C)C2)cc1C(F)(F)F 167377183 AOVWISJGHXHTOJ-NSHDSACASA-N 302.340 3.040 10 10 DGCE COc1ccc(CN2CC=C(c3ccc(O)cc3)CC2)c(O)c1 179805048 QFRHNJHOYCTEOA-UHFFFAOYSA-N 311.381 3.396 10 10 DGCE C[C@H](N[C@H](C)C[C@@H](O)c1ccco1)c1ccc(F)c(F)c1O 187764384 CPYYSAKKXJBAFL-GBIKHYSHSA-N 311.328 3.426 10 10 DGCE C[C@H](N[C@H](C)CN1CCC[C@@H](C)C1)c1ccc(F)c(F)c1O 191218080 NDFVZSJDNHZZBG-UPJWGTAASA-N 312.404 3.441 10 10 DGCE COc1ccc2c(c1)CCN2Cc1cnn(-c2ccccc2)c1 195739556 YFXROICMWDTHKG-UHFFFAOYSA-N 305.381 3.444 10 10 DGCE N[C@@H]1C(=O)Nc2cc(N3CC[C@@H]4CCCC[C@H]43)c(Cl)cc21 227985254 RUOACPLIGYGGKO-RJIBLYRGSA-N 305.809 3.061 10 10 DGCE CC(C)(C)OC(=O)N1CCC([C@H](N)c2ccccc2O)CC1 259980524 SEEBJZKTVSSLIS-HNNXBMFYSA-N 306.406 3.039 10 10 DGCE C[C@@]1(CCCO)CCCN1Cc1cc(Cl)c(F)cc1O 293958917 PRRHVMRGKBOQIT-HNNXBMFYSA-N 301.789 3.312 10 10 DGCE CNCc1ccc(N2CCN(Cc3ccccc3)C[C@@H](C)C2)cc1 324000908 ISDMJFUPULKZEV-GOSISDBHSA-N 323.484 3.364 10 10 DGCE Oc1ccc(Cl)cc1CN[C@@H](c1ccccc1)c1nc[nH]n1 369019828 RTBYIJTYPBPFBS-HNNXBMFYSA-N 314.776 3.043 10 10 DGCE COCCN(CCCOc1ccc(N)cc1)Cc1ccccc1 384366734 WZALUCIGACGXRS-UHFFFAOYSA-N 314.429 3.186 10 10 DGCE C[C@H](NCCCOCc1ccccc1)c1c(O)cccc1O 390079727 AVHHQBMZJDYLLN-AWEZNQCLSA-N 301.386 3.355 10 10 DGCE C[C@H](NC[C@@H]1c2ccccc2C(=O)N1C)c1cc(F)ccc1O 528010017 ZUGJJOZIWDYHAA-MEDUHNTESA-N 314.360 3.009 10 10 DGCE Ic1ccc(Sc2nccs2)nc1 606299904 ILBOKVBKCCFTSL-UHFFFAOYSA-N 320.180 3.294 10 10 DGCE CCOCCCN(C)Cc1c(O)cccc1Br 707162423 CRYSPEJSZMWEJH-UHFFFAOYSA-N 302.212 3.013 10 10 DGCE CC1(C)CO[C@H](CNCc2cccc(Br)c2O)C1 717395020 NEVDENYGJIYUIJ-NSHDSACASA-N 314.223 3.059 10 10 DGCE Cc1ccc(CCC(=O)NCCCSc2nccs2)o1 746603266 LVBRLGYNAXBLPT-UHFFFAOYSA-N 310.444 3.276 10 10 DGCE Cc1ccc([C@@H](C)N[C@@H]2CCN(c3ccccc3)C2=O)c(O)c1C 756662220 YVWDJCGUIXDKAO-CRAIPNDOSA-N 324.424 3.465 10 10 DGCE C[C@@H]1C[C@@H](N[C@@H](CO)c2ccsc2)c2c(O)ccc(F)c21 769990658 VUEFMRMRDPGDHF-WQAKAFBOSA-N 307.390 3.464 10 10 DGCE O=C(CCCc1cc(F)ccc1F)NCc1ccc(O)c(O)c1 778919397 CWBNQSUCMUOBPK-UHFFFAOYSA-N 321.323 3.015 10 10 DGCE COc1cc(C)cc(CN2CCC3(CCOCC3)CC2)c1O 789529852 LEUWCLGWTHNACO-UHFFFAOYSA-N 305.418 3.102 10 10 DGCE C[C@H]1CO[C@@H](C(F)(F)F)CN1Cc1cc2c(cc1O)CCC2 795694246 OSAAHCFVSUVOIY-ZUZCIYMTSA-N 315.335 3.033 10 10 DGCE CN(C)c1nccc(NCc2cc(Cl)cc(Cl)c2O)n1 808089381 QXVZYFUABHQDRR-UHFFFAOYSA-N 313.188 3.167 10 10 DGCE CSC[C@H](O)COc1ccc(N2CCCCC2)c(Cl)c1 817571491 QVOWKDPJWWFHFS-GFCCVEGCSA-N 315.866 3.433 10 10 DGCE O=C(NCCCSc1nccs1)N[C@@H]1CC[C@@H]2C[C@H]2C1 826692645 JKBKEWQQLNPOOJ-GRYCIOLGSA-N 311.476 3.113 10 10 DGCE Cc1cc(O)c(CNCCCN2CCCCCC2=O)c(Cl)c1 840876374 METDCPMMSBBJSI-UHFFFAOYSA-N 324.852 3.236 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2C[C@H](C)OCC23CCC3)c1O 844422782 PFFBMXFDWLWZCL-NSHDSACASA-N 323.820 3.392 10 10 DGCE COc1ccc(N2CC[C@H](Nc3cnc4ccccc4n3)C2)cc1 853758601 IDVSFWCUJXXSAJ-AWEZNQCLSA-N 320.396 3.329 10 10 DGCE CC[C@](C)(NC(=O)NCc1ccc(N2CC=CC2)cc1)C1CC1 853776794 WGMONVVHPNIQKP-IBGZPJMESA-N 313.445 3.441 10 10 DGCE COc1cc(OC)cc(N(C)C(=O)/C(C)=C\c2cccnc2)c1 1128115365 BLPQDTDNYFLPDC-JYRVWZFOSA-N 312.369 3.165 10 10 DGCE C[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1ccccn1 1136180716 LIOPFJXDOJXJKM-OAHLLOKOSA-N 323.440 3.442 10 10 DGCE Cc1cccc([C@H]2CCCN2C(=O)Cc2ccc(O)c(O)c2)c1 1136363710 GFGDCVSSOJUGBB-MRXNPFEDSA-N 311.381 3.312 10 10 DGCE C[C@H](Oc1cccc(F)c1)C(=O)N[C@@H](C)c1ccccc1O 1151892233 MASYXKKCIVSBQB-RYUDHWBXSA-N 303.333 3.176 10 10 DGCE CN(C)c1ccc(CN2CCCC[C@@H]2C(=O)OC(C)(C)C)cc1 1203933586 APXLJBJIUFIRFD-QGZVFWFLSA-N 318.461 3.449 10 10 DGCE C[C@H](NC(=O)/C=C\c1ccc(C=O)cc1)c1ccc(N(C)C)cc1 1296650490 VRKCLXRPFVDCFU-ODDCISTRSA-N 322.408 3.456 10 10 DGCE CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[C@H](OC)C1 1321309243 BYPBXYFXXVCCJV-CVEARBPZSA-N 320.433 3.271 10 10 DGCE CCCCC(=O)N1C[C@H](C)[C@@H](NCc2ccc(OC)c(C)c2)C1 1327828440 NHGUMKJPVRBXLW-RDJZCZTQSA-N 318.461 3.130 10 10 DGCE C[C@@H](CC(=O)Nc1c(Cl)ccc2nonc12)[C@H]1CCCO1 1328696913 HSLWVMADLAFPSN-GZMMTYOYSA-N 309.753 3.020 10 10 DGCE COC(=O)CCCN1C[C@@H](C(C)C)Cc2cc(OC)ccc21 1460285735 OLLRULBVRSEECS-HNNXBMFYSA-N 305.418 3.283 10 10 DGCE COC(=O)[C@H](N[C@@H](C)c1ccccc1O)c1ccc(F)cc1 1473723967 NXZAQJVCMSIDEY-MEDUHNTESA-N 303.333 3.096 10 10 DGCE CC[C@@H](C)CC(=O)N[C@H]1C[C@@H](NCc2ccc(OC)c(C)c2)C1 1480201318 JSTGPLVIRIPAHZ-XYPHTWIQSA-N 318.461 3.177 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)c1cc2c([nH]1)CCCC2 1617047845 SQONEPRAOGHJBG-UHFFFAOYSA-N 311.429 3.198 10 10 DGCE CCc1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)no1 1629137216 ZLKSOFZFXPNVQI-UHFFFAOYSA-N 315.156 3.179 10 10 DGCE Cc1cccc(C(=O)NCc2cccc(Cl)c2O)c1[N+](=O)[O-] 1637227157 PQVHRZVVLPXQTB-UHFFFAOYSA-N 320.732 3.192 10 10 DGCE c1cc2c(cc1CN[C@@H]1CC[C@@H]3SCCS[C@H]31)CCCO2 1656037626 DDYXEYGJWMEMMQ-PVAVHDDUSA-N 321.511 3.481 10 10 DGCE COc1ccc(CN[C@@H](C)[C@H](C)NC(=O)C=C2CCC2)cc1C 1733970272 OZYBCNGKVFXARS-GJZGRUSLSA-N 316.445 3.097 10 10 DGCE CC1=NN(c2ccccn2)C(=O)/C1=C/c1cc(Cl)ccc1O 1865666140 FTDUMNAZCSZQIR-UKTHLTGXSA-N 313.744 3.247 10 10 DGCE CCOc1ncc(/C=C/C(=O)N(CC)c2cccc(C)c2)cn1 1866396322 IGGBNBSOERNDQJ-MDZDMXLPSA-N 311.385 3.250 10 10 DGCE CCN[C@H](C)c1ccc(N2CC(F)C2)c(Br)c1 1916990407 BONSKJZXLAQGHH-SECBINFHSA-N 301.203 3.278 10 10 DGCE C[C@H]1CCO[C@H]1CCNCc1ccc(Br)cc1O 1918132061 YSJPHNOFDSZDSG-HZMBPMFUSA-N 314.223 3.059 10 10 DGCE CN(C)[C@H]1CCCC[C@H]1Nc1c(N)cccc1Br 1921761036 ULILCTWKLAAUOM-OLZOCXBDSA-N 312.255 3.316 10 10 DGCE Oc1c(Br)cccc1CN[C@@H](C(F)F)C1CC1 1942708341 VMBFYHMVVVIVNB-SNVBAGLBSA-N 306.150 3.288 10 10 DGCE C[C@@H](Nc1ccccc1N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1959360996 JKBZNICPDOAXLY-CHWSQXEVSA-N 305.422 3.326 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@](C)(Nc2ccc(N)cc2)C1 1959365684 IBHPVBABBDZAQJ-KRWDZBQOSA-N 305.422 3.470 10 10 DGCE CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@H](O)c1ccc(N(C)C)cc1 1977957234 COJDRLTZJAIYHT-HOTGVXAUSA-N 322.449 3.335 10 10 DGCE CC1(C)C[C@H](NC(=O)OC(C)(C)C)CN(c2ccc(N)cc2)C1 1977971548 SQVFOXAWYDXDKM-AWEZNQCLSA-N 319.449 3.398 10 10 DGCE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](COc1ccc(N)cc1)C2 1992425751 ORDIMIZUKMBINS-NOLJZWGESA-N 318.417 3.436 10 10 DGCE CC(C)(C)OC(=O)N1CC2(CC2)C[C@@H]1COc1ccc(N)cc1 1992433430 QPRKAMWLQAARET-CQSZACIVSA-N 318.417 3.437 10 10 DGCE Cc1c(Br)cccc1COc1cc(F)cnc1N 2027157811 DWPMEGZADLNEIG-UHFFFAOYSA-N 311.154 3.453 10 10 DGCE Oc1ccc([C@H]2Nc3cccc(Br)c3O2)cc1O 2027921293 VGIUVLWTLRXTHL-ZDUSSCGKSA-N 308.131 3.363 10 10 DGCE CC[C@H](Nc1cn(C)cn1)c1cc(Br)ccc1O 2028676227 VJQJNQNFFYEORC-NSHDSACASA-N 310.195 3.451 10 10 DGCE NCc1ccc(N2CCC23CC(CF)C3)cc1Br 2061888206 MNHYNVCKCIAVRH-UHFFFAOYSA-N 313.214 3.236 10 10 DGCE Cc1cc(CN)ccc1N1C[C@](C)(Br)[C@](C)(F)C1 2084852585 QCBKPBJKZBHWMT-UONOGXRCSA-N 315.230 3.156 10 10 DGCE CN(c1ccc(CO)c(Br)c1)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21 2116357429 UBDJIFPXGAQNHN-HXKBKMISSA-N 322.246 3.422 10 10 DGCE CN1CCc2cc([C@H](N)[C@@H](O)c3cscc3Cl)ccc21 2163135492 KDQDSPVJQOJZLC-GJZGRUSLSA-N 308.834 3.127 10 10 DGCE Cc1cccc(O)c1CNCc1cnc(C(F)(F)F)s1 2196677059 QIRIJPRQTBSMSU-UHFFFAOYSA-N 302.321 3.466 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CC(SC(F)F)C2)c1O 2196711475 LFZNUTCMDCTZSR-UHFFFAOYSA-N 321.776 3.388 10 10 DGCE Cc1nn(C)c(COc2ccc(N(C)C)cc2)c1Br 2229384303 VPMPRXUXPORVTL-UHFFFAOYSA-N 324.222 3.136 10 10 DGCE OCc1ccc(N2CCN(Cc3ccccc3)CC2)cc1C1CC1 2301283714 SNBBYIJZPNOEEV-UHFFFAOYSA-N 322.452 3.379 10 10 DGCE CCc1nnsc1CN(C)c1ccc([C@@H](C)O)cc1Cl 2360890063 OCEASBLALIYYLH-SECBINFHSA-N 311.838 3.444 10 10 DGCE CN[C@@H](C)c1ccc(N2CC[C@H](N3CCCC3)C2)c(Cl)c1 62980865 KAWKDCACHNNPLC-ZFWWWQNUSA-N 307.869 3.295 10 10 DGCE Nc1ccc(N(C(=O)CCc2cncnc2)c2ccccc2)cc1 170241499 RMONFTFHYILMSK-UHFFFAOYSA-N 318.380 3.356 10 10 DGCE CN(C)c1ccc([C@@H](Nc2ccccc2Cl)C(N)=O)cc1 37942302 VEHGZJJBNJHTGF-OAHLLOKOSA-N 303.793 3.045 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)c1c[nH]nc1-c1ccco1 1440664666 VJJRENNZNXNCDP-UHFFFAOYSA-N 324.384 3.008 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)N1CC2(CC2)c2ccccc21 181112156 GLAPYCNIFYJHOZ-SOFGYWHQSA-N 307.349 3.189 10 10 DGCE Cc1cc(Cl)cc(CN2CC[C@@H](c3cnn(C)c3)C2)c1O 180331716 OZBITVGYLFRLFF-GFCCVEGCSA-N 305.809 3.077 10 10 DGCE O=C(Nc1ccc(O)cc1C(=O)O)c1ccc(F)c(Cl)c1 212253416 RYALWNUNPFPGIZ-UHFFFAOYSA-N 309.680 3.135 10 10 DGCE COC1(C(F)F)CC(CNCc2ccc(Cl)cc2O)C1 2369073939 IYLJMLUYZQJXJO-UHFFFAOYSA-N 305.752 3.196 10 10 DGCE COCCNCc1ccc(N(C)Cc2ccccc2)c(F)c1 381478789 BNLQRWLSKBYYAD-UHFFFAOYSA-N 302.393 3.198 10 10 DGCE FC(F)CN1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 92586453 SHBSYKFQKHLBRE-UHFFFAOYSA-N 323.431 3.060 10 10 DGCE CCCCCCOCC(=O)NCc1ccc(N(C)C)cc1C 734406616 YLLQAWLINKMHNV-UHFFFAOYSA-N 306.450 3.274 10 10 DGCE COc1cccc([C@@H](C)NCc2c(C)cc(CO)cc2C)c1O 903303978 XJLZMGQUCDDWMC-CQSZACIVSA-N 315.413 3.361 10 10 DGCE CC(F)(F)CCCNC(=O)NCCCSc1nccs1 838513510 AAPMWOYMXZSWSV-UHFFFAOYSA-N 323.434 3.360 10 10 DGCE CC(C)N1CCC[C@H](CNC/C=C/c2ccc(N(C)C)cc2)C1 835038580 UBTQVEJJWAEVGR-WSSFADSRSA-N 315.505 3.476 10 10 DGCE CC[C@H](N[C@H](C)c1cc(Cl)cc(C)c1O)[C@@H](O)C(F)F 834875865 UWSUOBDCVLTWSP-YDEJPDAXSA-N 307.768 3.409 10 10 DGCE Cc1cc(C(=O)N[C@@H](C)C(C)(C)O)c(C)n1-c1ccc(F)cc1 746337218 PIRSZRZRDGJEIF-ZDUSSCGKSA-N 318.392 3.122 10 10 DGCE C[C@H](NCCc1cn(C)cn1)c1ccc(N2CCCCC2)cc1 840769358 YIOOLQNQTHBBRL-INIZCTEOSA-N 312.461 3.304 10 10 DGCE COc1c(C)cccc1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O 848560031 JFYXAJLBRYGPJC-LBPRGKRZSA-N 316.357 3.468 10 10 DGCE CCN(CC)c1ccc(CNC[C@H]2CCC[C@H]2C(=O)O)cc1F 841820923 XGSFOFCZVKWULC-HUUCEWRRSA-N 322.424 3.262 10 10 DGCE CC[C@@H](NC[C@H](n1cccn1)C(F)(F)F)c1ccccc1O 858448592 DHKOVOAPOFVJKR-OCCSQVGLSA-N 313.323 3.433 10 10 DGCE CCN(C(=O)/C=C\c1ccc(C)nc1)c1ccccc1C(=O)OC 754273772 DAMFLLUEQRROIH-QXMHVHEDSA-N 324.380 3.243 10 10 DGCE CCOc1ccc([C@@H](C)NC(=O)c2ccc(C)c(O)c2O)cc1 751533443 NYJOKNJXXNOVJT-GFCCVEGCSA-N 315.369 3.296 10 10 DGCE CN(C)c1ccc(CNC[C@@H]2CC[C@H](C(F)(F)F)O2)cc1F 922458523 QNYMICSREFTABS-SMDDNHRTSA-N 320.330 3.091 10 10 DGCE COc1ccc(O)c([C@H](C)N[C@@H](CO)c2sccc2C)c1 756736008 KKTQOCIMUKFRPD-FZMZJTMJSA-N 307.415 3.155 10 10 DGCE CC(C)(C)OC(=O)C1(CN[C@@H]2CCc3cccc(O)c32)CCC1 850572575 DLQQZJPUKJNAFY-CQSZACIVSA-N 317.429 3.481 10 10 DGCE CCCC[C@](C)(F)C(=O)NCc1ccc2cccnc2c1O 862025223 PBTADKBZRLWMHE-KRWDZBQOSA-N 304.365 3.475 10 10 DGCE C[C@@H](NC(=O)NC[C@H]1CC12CCSCC2)c1ccccc1O 868715079 JJCBCHWGANBPNX-CHWSQXEVSA-N 320.458 3.286 10 10 DGCE C[C@]1(c2ccccc2)CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 779527438 LFWUQIQBORVYMI-WSCHBXBGSA-N 323.392 3.301 10 10 DGCE COc1cc(Cl)cc(CNC[C@@H]2C[C@]23CC3(F)F)c1O 1876078720 QGBNDFIIBNSBNO-ZANVPECISA-N 303.736 3.189 10 10 DGCE CCc1cccc(C(=O)Nc2c(Cl)ccc3nonc23)n1 1128607526 ULBOSNJZSQNWOF-UHFFFAOYSA-N 302.721 3.086 10 10 DGCE CCN(CC)c1ccc(CNC(=O)N[C@@H]2[C@H]3CCC[C@H]32)cc1 786998718 DZPGZOLKJJGWBZ-FVQHAEBGSA-N 301.434 3.131 10 10 DGCE CC1(C)CCC(=CC(=O)OCC(=O)c2ccc(O)c(O)c2)CC1 784337583 XQRNWZYQFKIIBY-UHFFFAOYSA-N 318.369 3.350 10 10 DGCE CCC(F)(F)CNC(=O)NCc1ccc(N2CCCC2)cc1 1261788327 SIWREPVAJOGSGU-UHFFFAOYSA-N 311.376 3.131 10 10 DGCE CN(C)c1ccc(CNC(=O)c2ccc3cccnc3c2)cc1F 1519266594 XJJMLDGCRQPNMA-UHFFFAOYSA-N 323.371 3.370 10 10 DGCE C[C@H](NC(=O)c1ccc(-n2cccn2)cc1)c1ccccc1O 1454820565 SAMCKBNYPCITEN-ZDUSSCGKSA-N 307.353 3.069 10 10 DGCE C[C@H](NC(=O)c1ccnn1-c1ccccc1)c1ccccc1O 1454812484 AISWPQMXAJYSIW-ZDUSSCGKSA-N 307.353 3.069 10 10 DGCE C[C@@H]1CCc2ccccc2[C@H]1NC(=O)Cc1ccc(O)c(O)c1 1546172184 PFAJOSRXSYWNBQ-BLVKFPJESA-N 311.381 3.080 10 10 DGCE O=C(NCc1cc2ccccc2[nH]1)N1Cc2cccc(O)c2C1 1635215050 ISADUGSXLLDNGB-UHFFFAOYSA-N 307.353 3.099 10 10 DGCE [N-]=[N+]=NC[C@H]1CCN(Cc2cnc(Br)s2)C1 1912168638 VTHKRRUHEUTPIR-SSDOTTSWSA-N 302.201 3.038 10 10 DGCE C[C@@H](NC(=O)Cc1cccc2cnccc12)c1ccccc1O 1587447157 KOTDFJNSHBGYCO-CYBMUJFWSA-N 306.365 3.360 10 10 DGCE COc1ccc(CNC2(CNC(=O)[C@H](C)C(C)C)CC2)cc1C 1670868634 SQYFHIJWXYPUJF-OAHLLOKOSA-N 318.461 3.034 10 10 DGCE COCCNCc1ccc(N(C)[C@H](C)CCSC)cc1C 161689688 ZSETUPCUFHSRSH-OAHLLOKOSA-N 310.507 3.309 10 10 DGCE C[C@H](NC(=O)Cc1ccc(N)cc1)c1c(F)cccc1Cl 162729576 AZRIUNUFQPOFRA-JTQLQIEISA-N 306.768 3.481 10 10 DGCE CCCNCc1ccc(N2CCC[C@H]2CN(C)C)c(Cl)c1 164053568 KAJJMJXRNBRDAP-HNNXBMFYSA-N 309.885 3.370 10 10 DGCE Cc1ccc(-c2ocnc2C(=O)NCCc2ccc(N)cc2)cc1 152533172 LRKXSUHAQUBRAO-UHFFFAOYSA-N 321.380 3.205 10 10 DGCE CC1=NN(Cc2ccccc2)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1 1865679971 QCNYMTMKTQZXBC-GZTJUZNOSA-N 321.336 3.397 10 10 DGCE CC[C@H](NC[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C)c1ccccc1O 1978008132 FQXYPOQJOFWXTQ-QEJZJMRPSA-N 320.433 3.346 10 10 DGCE C[C@@H](N(Cc1ccccc1)c1ccc(CN)c(F)c1)C(C)(C)O 1980733247 MGCYWBSYNNGZCJ-CQSZACIVSA-N 316.420 3.450 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](COc3ccc(N)cc3)[C@H]2C1 1992429436 DWFVAPFWMVMMAK-JYJNAYRXSA-N 318.417 3.151 10 10 DGCE Oc1ccc(Br)cc1CNC[C@@H]1C[C@@H]1C(F)F 1997383469 NZEFBWLLLZNQHS-XVKPBYJWSA-N 306.150 3.146 10 10 DGCE C[C@H]1N(Cc2ccccc2)CC[C@]1(N)c1ccc2c(c1)CCN2C 1999508649 ZIFRECHIAMKROO-IIBYNOLFSA-N 321.468 3.127 10 10 DGCE Nc1ccc(CNC[C@]23CC[C@@H]2CN(Cc2ccccc2)C3)cc1 2023083605 UPDFSKFHCRCPSJ-CTNGQTDRSA-N 321.468 3.271 10 10 DGCE C[C@H](N)c1ccc(N(C)[C@H](C)C(C)(C)O)cc1Br 382810012 PBJQXIPSGUNNJO-VHSXEESVSA-N 315.255 3.064 10 10 DGCE C[C@H]1C[C@@H](NCc2ccc(Br)cc2O)C[C@@H](C)O1 724662522 GUKAYSYVDHGHSO-IWIIMEHWSA-N 314.223 3.200 10 10 DGCE Cc1ccc([C@@H](C)n2nc(C(C)(C)C)c(C(=O)O)c2N)c(O)c1 2079033682 ZMRVWSFWBNATNS-SNVBAGLBSA-N 317.389 3.084 10 10 DGCE CCc1nn([C@H](c2ccc(C)cc2O)C(C)(C)C)c(N)c1CN 2079138851 ZUMBECASXWOLLC-MRXNPFEDSA-N 316.449 3.136 10 10 DGCE CO[C@@H]1CCC[C@H](NCc2ccc(Br)cc2O)C1 1172925018 BYTNIYNCGDBBGM-QWHCGFSZSA-N 314.223 3.202 10 10 DGCE CCC[C@H]1C[C@@H](NCc2ccc(Br)cc2O)CO1 2065792360 TVQOXLYPSPHTMP-OLZOCXBDSA-N 314.223 3.202 10 10 DGCE CO[C@H]1CC[C@@H](N(C)Cc2cccc(Br)c2O)C1 2067116119 YIXHQIKHCJMDJJ-NEPJUHHUSA-N 314.223 3.154 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1CN(CCCCN=[N+]=[N-])C2 2210740338 MHNSOYIFAJTCAH-HZSPNIEDSA-N 323.441 3.312 10 10 DGCE CN[C@H](C)c1ccc(N2CC=C[C@@H]2CF)c(Br)c1 2082869862 BEGIYPUCRJQCKC-ZYHUDNBSSA-N 313.214 3.444 10 10 DGCE C[C@H](Nc1cc(N)c(Br)cn1)c1ccccc1O 2223230486 BCAITZHFTLUPFA-QMMMGPOBSA-N 308.179 3.305 10 10 DGCE COc1cccc(CNC(=O)CC=Cc2ccc(C)cc2)c1O 2301549659 KWGRUSPHKJGNIY-UHFFFAOYSA-N 311.381 3.429 10 10 DGCE CNCc1ccc(N(C)C[C@H]2C[C@H](F)C2)c(Br)c1 2327463303 YAXWDWPELUXTQC-HAQNSBGRSA-N 315.230 3.353 10 10 DGCE CCCS(=O)(=O)c1ccccc1NCc1ccc(N)cc1 37671032 DFCGLAZYCCMTBZ-UHFFFAOYSA-N 304.415 3.065 10 10 DGCE Cc1ccc([C@H](C)N(C)C(=O)COc2ccc(N)cc2)s1 40330806 HQYXXTONXXOASL-LBPRGKRZSA-N 304.415 3.237 10 10 DGCE CN(C(=O)/C=C/c1cnc2ccccc2n1)c1ccc(Cl)cn1 76347060 VRAUSLXGGBDMNV-VQHVLOKHSA-N 324.771 3.354 10 10 DGCE CCCNCc1ccc(OC)c(C[S@@](=O)C2CCCC2)c1 84050208 VVQAUXAZBQOGOX-NRFANRHFSA-N 309.475 3.386 10 10 DGCE CCOC(=O)[C@@H](NCCN=[N+]=[N-])c1cc(Cl)cc(Cl)c1 90257666 KFNZBNCHCUPSSX-NSHDSACASA-N 317.176 3.498 10 10 DGCE CCCC[C@@H](N)c1ccc(I)cc1O 95782849 JPECPFKGFDURRF-SNVBAGLBSA-N 305.159 3.187 10 10 DGCE COc1cccc([C@H]2C[C@H]2C(=O)N(C)Cc2ccccc2O)c1 106907989 QSIPNDKPQZWGEQ-IAGOWNOFSA-N 311.381 3.163 10 10 DGCE CCOc1ccc(O)c(CN(C)Cc2ccc3c(c2)OCO3)c1 120067393 CEPLJTMZHSMKFB-UHFFFAOYSA-N 315.369 3.152 10 10 DGCE Cc1ccc2[nH]c(C(=O)NCCc3ccc(O)c(O)c3)c(C)c2c1 122667595 LEJANYPCPDJGCX-UHFFFAOYSA-N 324.380 3.168 10 10 DGCE C[C@@H](NCc1ccc2c(c1)CCO2)c1cn(-c2ccccc2)nn1 150915464 SKWZLXZKXGMLIP-CQSZACIVSA-N 320.396 3.053 10 10 DGCE CNCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(C(F)(F)F)c1 163654651 AEGHFIKSUJBZMK-GHMZBOCLSA-N 302.340 3.038 10 10 DGCE COc1ccc(CNCc2ccc(OC(C)(C)C)nc2)c(O)c1 180881764 LNIWJKQZURCNDW-UHFFFAOYSA-N 316.401 3.263 10 10 DGCE CCC[C@H](CNC(=O)OC(C)(C)C)NCc1cc(C)ccc1O 227764355 XLOPZRSDPCCLMG-OAHLLOKOSA-N 322.449 3.484 10 10 DGCE CN[C@@H](C)c1ccc(N2CCSCC2)cc1Br 234453801 CYFDENOFCNSAEP-JTQLQIEISA-N 315.280 3.283 10 10 DGCE c1cc(N2CCOCC2)ccc1CN1C[C@H]2CCC[C@@H](C2)C1 367701101 KMTQIXONODEPPB-ROUUACIJSA-N 300.446 3.145 10 10 DGCE Cc1cc(C)c([C@H](C)NCC(C)(C)C(=O)N2CCCC2)c(O)c1 528015834 OCTQFHZWIZNQKG-HNNXBMFYSA-N 318.461 3.308 10 10 DGCE C[C@]1(CNCc2c(O)cccc2Br)CC1(F)F 706872915 UUTFSOPKHWGAKR-LLVKDONJSA-N 306.150 3.290 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CC3CCC2CC3)c1 769189162 SZZCQVSLBBOIRF-PIISCBOPSA-N 318.417 3.340 10 10 DGCE COc1cccc(CNC(=O)NC[C@H]2CC3CCC2CC3)c1O 827464228 YIDFOZKJZVOITP-SSDMNJCBSA-N 318.417 3.026 10 10 DGCE CN(C)c1ccc(/C=C/CN2CC[C@@]3(CCCOC3)C2)cc1 835049011 DLKVQZJVBHRLIL-JUGMSXHOSA-N 300.446 3.268 10 10 DGCE COc1ccccc1[C@@H](O)CN[C@H](C)c1ccc(Cl)cc1O 841746259 XBWPRYYRKREOSU-BZNIZROVSA-N 321.804 3.438 10 10 DGCE C[C@H](NC[C@@H]1CN(C)C[C@H]1c1ccccc1)c1ccccc1O 842922004 ULWUNGSJXZFXSK-WDYCEAGBSA-N 310.441 3.388 10 10 DGCE C[C@H](N[C@@H](C1CCC1)[C@H]1CCCO1)c1cc([N+](=O)[O-])ccc1O 866491477 RWRQYOXYVRRDJA-JECHBYEQSA-N 320.389 3.299 10 10 DGCE COc1cc(Cl)cc(CN[C@@H]2CCC[C@]23CCCO3)c1O 895680447 LEAZWGPESAZIJS-ZBFHGGJFSA-N 311.809 3.246 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)Nc1ncccc1Br 1163031013 LRNWSGGZKGDVDV-SECBINFHSA-N 323.190 3.298 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)CC2(C(F)(F)F)CC2)c1 1324315313 CCTYIBHIQJRUBQ-VIFPVBQESA-N 317.307 3.311 10 10 DGCE C/C(=C\C(=O)N1CCCc2cc(F)cc(F)c21)c1cnccn1 1355668192 DSVOEEOQXWFXEH-YRNVUSSQSA-N 315.323 3.138 10 10 DGCE CCO[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)C1CCCC1 1434913865 CNHSUDVEHGPITN-QGZVFWFLSA-N 322.424 3.103 10 10 DGCE C/C=C/[C@@H](O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 1442443002 BKNAIVDWQIHHET-NTSMAEHXSA-N 316.445 3.009 10 10 DGCE COc1ccc(N(C)CCN(C)C[C@H]2CC3(CCC3)CO2)cc1 1460335008 LPXORLUEISRJGZ-GOSISDBHSA-N 318.461 3.022 10 10 DGCE C/C(=C\c1cccnc1)C(=O)Nc1c(Cl)ccc2nonc12 1543805535 GDUNHPWSQJYGAX-VQHVLOKHSA-N 314.732 3.313 10 10 DGCE CCc1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1OC 1611327551 SXELRKMKTXMABW-UHFFFAOYSA-N 305.305 3.060 10 10 DGCE Cc1ccc(CN[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)c(O)c1 1621451608 YWEFCJDZVAUBED-SFHVURJKSA-N 320.433 3.190 10 10 DGCE C[C@@H](NC(=O)[C@@H](c1ccccc1)n1cccn1)c1ccccc1O 1648889748 JZPJMRDTFBPEQK-RDTXWAMCSA-N 321.380 3.056 10 10 DGCE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H]2[C@@H](N)c1ccccc1O 1895240892 GAGCPRWFPAORMO-UYHMYPTGSA-N 318.417 3.180 10 10 DGCE c1ccc(COc2ccc(N3CC[C@H]4CCN[C@@H]4C3)cc2)cc1 1899864306 QUPFFNKPEBXPEG-YLJYHZDGSA-N 308.425 3.454 10 10 DGCE C[C@H]1[C@H](C)CN1c1ccc(C=CC(=O)O)cc1Br 1911979429 ITIWKJDGVFUCFR-ZJUUUORDSA-N 310.191 3.392 10 10 DGCE COC1CC(N(C)c2ccc([C@H](C)O)c(Br)c2)C1 1914789779 JZTXAAGUWAUAMX-GCVQQVDUSA-N 314.223 3.116 10 10 DGCE Oc1ccc(Br)cc1CNCC=CBr 1925885534 VXAHMXFZLCMHES-UHFFFAOYSA-N 321.012 3.153 10 10 DGCE CCC[C@@](C)(NC(=O)OC(C)(C)C)[C@@H](N)c1ccccc1O 1928477540 WBCFNUUOENXLKC-WMLDXEAASA-N 308.422 3.476 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1C[C@H](C[C@H](N)c2ccccc2O)C1 1961037053 MSHVXTDYSYOYDO-OBJOEFQTSA-N 306.406 3.085 10 10 DGCE CC(C)(C)OC(=O)N1CCN(CCCCN=[N+]=[N-])[C@@H]2CC[C@H]21 1962288439 WGRYYJLKXLQWON-CHWSQXEVSA-N 309.414 3.161 10 10 DGCE CC(C)(C)OC(=O)NCc1cccc(Oc2ccc(N)cn2)c1 1989694363 LDPPGBZVAWAKFE-UHFFFAOYSA-N 315.373 3.481 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(N)cc2)[C@@H](C2CC2)C1 1992468973 PVJHPMBTLMOTRV-HZPDHXFCSA-N 318.417 3.293 10 10 DGCE CC1(F)CN(c2ccc(CNC3CC3)cc2Br)C1 2032475464 HPDAWZAEBOQDSF-UHFFFAOYSA-N 313.214 3.249 10 10 DGCE Cc1ccc(Br)c(CN2CC[C@@H](CN=[N+]=[N-])C2)n1 2049901021 FWPVJHAPJLZWFI-JTQLQIEISA-N 310.199 3.285 10 10 DGCE CN(c1ccc(CN)c(Br)c1F)C1CC(CF)C1 2054699631 XILCXYPWGWKXBM-UHFFFAOYSA-N 319.193 3.231 10 10 DGCE CCc1cc(C(=O)N(C)C)n([C@@H](C)c2cc(C)c(C)cc2O)n1 2070048526 KFEUPYBJLDJZMQ-ZDUSSCGKSA-N 315.417 3.079 10 10 DGCE CC[C@@H](c1cc(C)c(C)cc1O)n1nc(C2CC2)c(CO)c1N 2079979225 MRWZDUAZRWDXIB-HNNXBMFYSA-N 315.417 3.157 10 10 DGCE Cc1cc(C(=O)Nc2ccc(O)cc2C(=O)O)sc1Cl 2165372384 XWICSIZXFBASCL-UHFFFAOYSA-N 311.746 3.366 10 10 DGCE C[C@@H](CO)N(Cc1ccccc1)c1ccc2c(c1)OCCCO2 2210906088 QKROEVBHOQCIRL-HNNXBMFYSA-N 313.397 3.235 10 10 DGCE C[C@@H](N)c1ccc(N2CC[C@@H]3C[C@@]3(F)C2)c(Br)c1 2222694684 SGQKYWZAJFQRAX-GLXFQSAKSA-N 313.214 3.407 10 10 DGCE COc1c([C@H](O)c2ccc3c(c2)CCN3C)csc1Cl 2284199041 YJJJEDQSLAZIPM-CYBMUJFWSA-N 309.818 3.484 10 10 DGCE Cc1ccc(CN2CC[C@@](C)(F)C2)c(O)c1Br 2307458391 RECNNGYJDVOUCN-CYBMUJFWSA-N 302.187 3.397 10 10 DGCE CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc(N)cc1 31896496 LDRBSYLVSBNAMM-GFCCVEGCSA-N 300.358 3.074 10 10 DGCE COC(=O)C[C@H](N[C@H](C)c1ccccc1O)c1cccs1 37076610 OYFSFYOIMDGXPI-YPMHNXCESA-N 305.399 3.409 10 10 DGCE Oc1ccccc1CN[C@@H]1CCC[C@H](OCC(F)(F)F)C1 37152940 GAUAXBPPQBIGKO-OLZOCXBDSA-N 303.324 3.372 10 10 DGCE c1cc2c(cc1N1CC[C@@H](CNC3CCCCC3)C1)OCO2 76439855 ZTMWZKWQVFFJML-AWEZNQCLSA-N 302.418 3.164 10 10 DGCE CC(C)CNCc1ccc(N2CC[C@@H](CCO)C2)c(Cl)c1 123800342 JIWNMFVHUCRZPA-AWEZNQCLSA-N 310.869 3.294 10 10 DGCE CCOC(=O)c1ccccc1N(C)C(=O)/C=C/c1cncc(C)c1 127298357 RODSNCKOAFCZHY-MDZDMXLPSA-N 324.380 3.243 10 10 DGCE Cc1cc(/C=C/C(=O)N2CCC[C@H]2CO)c(C)n1-c1ccccc1 133177449 GKECRJALWJDJJH-VYENPZKTSA-N 324.424 3.091 10 10 DGCE C[C@H]1CN(c2ccc(CN)cc2C(F)(F)F)CC(C)(C)O1 163706161 GYHPALQTBUGSOA-JTQLQIEISA-N 302.340 3.168 10 10 DGCE CCc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)c(C)n1 183558773 GJVCFZFFXNIEEC-UHFFFAOYSA-N 323.440 3.483 10 10 DGCE C[C@@H](NCCOc1ccc(C#N)cc1)c1ccc(F)cc1O 186080148 HFXNBEAHVAUXNI-GFCCVEGCSA-N 300.333 3.133 10 10 DGCE C[C@@H](N)c1ccc(N2CC[C@H]3[C@@H](CCCN3C)C2)c(Cl)c1 220913664 XDJOCNJMBOCPLG-INWMFGNUSA-N 307.869 3.280 10 10 DGCE COC1CCN(c2ccc([C@H](C)N)c(Br)c2)CC1 234608020 AXIRIUSVZZLPFI-JTQLQIEISA-N 313.239 3.084 10 10 DGCE Cc1cc(Br)cc(NCc2ccc(O)c(O)c2O)c1 235840089 SBWJIWIWAPVYGU-UHFFFAOYSA-N 324.174 3.486 10 10 DGCE Oc1ccc2ccccc2c1CN1CCS[C@H]2COCC[C@H]21 246595770 CXAGUQVBVCYKAE-AEFFLSMTSA-N 315.438 3.252 10 10 DGCE CCCOc1ccc(CN2[C@H]3CC[C@H]2CN(CC)CC3)c(O)c1 247263191 XSVKPZAKOAEIJU-IRXDYDNUSA-N 318.461 3.240 10 10 DGCE C[C@H](C[C@H](O)c1ccco1)N[C@H](C)c1ccc(F)c(F)c1O 249038476 CPYYSAKKXJBAFL-BREBYQMCSA-N 311.328 3.426 10 10 DGCE C[C@@H]1C[C@@H]1CN(C)c1cc(Br)c(CN)cc1F 310331305 YSYLMAOZOCGVIF-PSASIEDQSA-N 301.203 3.139 10 10 DGCE NCc1ccc(N2C[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2)c(Br)c1 388972510 WDLMGPNCORCAAN-XUXIUFHCSA-N 321.262 3.390 10 10 DGCE CCN(c1ccc([C@H](C)N)cc1Br)C(C)(C)CO 688312107 SIZWEKPPOUPABC-JTQLQIEISA-N 315.255 3.066 10 10 DGCE Cn1c(C(=O)N2CCC[C@H]2CN=[N+]=[N-])cc(Cl)c1Cl 701282755 WTESXALPNVMCNS-ZETCQYMHSA-N 302.165 3.247 10 10 DGCE Cc1cccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)c1O 704625674 VMXRGIPUTXLZMF-ZFWWWQNUSA-N 320.433 3.188 10 10 DGCE CNCc1ccc(N2CC3(CN(Cc4ccccc4)C3)C2)cc1C 706590785 JWNQTROCVZQUCD-UHFFFAOYSA-N 321.468 3.037 10 10 DGCE Oc1cc(Br)ccc1CN1CC[C@@H](C(F)F)C1 707168286 PWFCUTUZUZXNHV-SECBINFHSA-N 306.150 3.242 10 10 DGCE Cc1ccc(C(=O)N2CCC[C@@H](C(F)(F)F)[C@H]2C)c(O)c1O 775939340 DIROUZBWKSXPIU-MWLCHTKSSA-N 317.307 3.209 10 10 DGCE Cc1cc(Cl)cc(CN2CC[C@H](N3CCCC3)[C@@H]2C)c1O 809724627 SDBRNNAYCPFWKR-BBRMVZONSA-N 308.853 3.413 10 10 DGCE Oc1cc2c(cc1CN1CC3(CCC3)[C@H]1[C@H]1CCCO1)CCC2 811791955 KOKILQUODSREPC-RTBURBONSA-N 313.441 3.414 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc[nH]c1C1CCC1 813513624 QPTYGDFDCXPMBO-LLVKDONJSA-N 314.385 3.054 10 10 DGCE C[C@@]1(F)CCCN(Cc2ccc(Br)cc2O)C1 826030473 ZMTONSZSIXPKKQ-CYBMUJFWSA-N 302.187 3.479 10 10 DGCE CN(C)c1ccc(/C=C/CNC2CCN(C3CCC3)CC2)cc1 835034419 ANIGYISQPYKZOW-SNAWJCMRSA-N 313.489 3.372 10 10 DGCE CCOC(=O)[C@@H]1CC[C@H](NC/C=C/c2ccc(N(C)C)cc2)C1 835050543 CWUWEGMMRUXHSP-WBXGCANISA-N 316.445 3.087 10 10 DGCE Nc1ccc(NC(=O)N(C[C@H]2CCCO2)C2CCCC2)cc1 841298724 CUOBXVULXYEOBQ-MRXNPFEDSA-N 303.406 3.224 10 10 DGCE CC(C)(CNC(=O)NCc1cc(Cl)ccc1O)C(F)(F)F 845178300 OHUQTEPSCPYSSQ-UHFFFAOYSA-N 324.730 3.433 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(c2ccco2)CC1 855291382 HVGDAHRYPXNZMK-GQCTYLIASA-N 313.353 3.110 10 10 DGCE CCOC(=O)C1=CC[C@@H](N[C@@H](C)c2ccc(N(C)C)cc2)C1 858504252 NPTCDNCDXSKDAC-XJKSGUPXSA-N 302.418 3.055 10 10 DGCE COc1cc(C)cc(CNC[C@@H]2CCC23CCOCC3)c1O 895457669 IEPAHWRABSKYLM-HNNXBMFYSA-N 305.418 3.006 10 10 DGCE CC(C)[C@@](C)(CC(=O)O)NC/C=C\c1ccc(N(C)C)cc1 901817749 MNOVBWQJPGHJRC-HPFMTEOYSA-N 304.434 3.245 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)[C@@H]1CCCO1 906345778 VUTQNHKIRXAIRH-QAPCUYQASA-N 318.461 3.305 10 10 DGCE Nc1ccc(CNC(=O)Cc2ccc(SC3CC3)cc2)cc1 927768433 QLZYSXQVMGPUHN-UHFFFAOYSA-N 312.438 3.382 10 10 DGCE CCn1nc(C)cc1NC(=O)c1ccc(C2=S=CC=C2)s1 1131736759 CNEZRSXXZSMOMQ-UHFFFAOYSA-N 317.439 3.151 10 10 DGCE C[C@@H]1CCC[C@H]1CNC(=O)c1cc2cc(O)c(O)cc2s1 1155458418 PEMPLZFJMXCNOZ-ZJUUUORDSA-N 305.399 3.479 10 10 DGCE C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NCc2cccc(O)c2O)o1 1347531306 UUVYYJNUKQARTL-RISCZKNCSA-N 315.369 3.063 10 10 DGCE CN(C)c1ccc(CNC(=O)c2coc(C(C)(C)C)n2)cc1F 1356251935 YONNDZRCPDXVFB-UHFFFAOYSA-N 319.380 3.107 10 10 DGCE C[C@@H](CNC(=O)NCc1c(O)cccc1F)c1ccccc1 1469730345 UZULEFIYZCEKTP-LBPRGKRZSA-N 302.349 3.134 10 10 DGCE COc1ccc(N(C)C(=O)/C(C)=C\c2cccnc2)cc1F 1518051749 GIDLFQHAGNHHKB-XFXZXTDPSA-N 300.333 3.296 10 10 DGCE COC[C@H](C)CNC(=O)c1cc(C)ccc1-n1c(C)ccc1C 1542402968 FHUGEYLCTVUJRL-CQSZACIVSA-N 314.429 3.415 10 10 DGCE COc1cccc(SCC(=O)N[C@@H](C)c2ccccc2O)c1 1557967554 GNZTZAPUXDSSRE-LBPRGKRZSA-N 317.410 3.370 10 10 DGCE COc1ccc(CN[C@H](C)[C@H](C)NC(=O)CCC(C)C)cc1C 1570586911 FCUHNRGFTHIUHV-CVEARBPZSA-N 320.477 3.423 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N2CC(N3CCCC3)C2)cc1 1584141846 PBSVKSWVSRXNOR-UHFFFAOYSA-N 323.440 3.014 10 10 DGCE CCO[C@H]1[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)[C@H]1C 1625240822 SMNXQFWQUXNLED-FHLIZLRMSA-N 318.461 3.161 10 10 DGCE Cc1ccc(COCC(=O)NCc2cc(Cl)ccc2O)cc1 1632228049 JZBIJHWQHRMIME-UHFFFAOYSA-N 319.788 3.187 10 10 DGCE COc1ccccc1N(C)C(=O)c1ccc(N=NC(N)=O)cc1 1632299848 BACZDQNTBOJJMK-UHFFFAOYSA-N 312.329 3.134 10 10 DGCE C/C(=C\C(=O)NCc1cccc(O)c1O)c1ccccc1Cl 1633509769 WXPQGXCPQOZJGR-PKNBQFBNSA-N 317.772 3.471 10 10 DGCE C[C@H](C(=O)NCc1cccc(Cl)c1O)c1cccc(O)c1 1647830420 VXHYHFZUWJBJQA-JTQLQIEISA-N 305.761 3.171 10 10 DGCE COC1(CNC(=O)N[C@H](C)c2ccccc2O)CCCCCC1 1685606946 WTZQJQGJQXOQSK-CQSZACIVSA-N 320.433 3.492 10 10 DGCE CCc1c(OCc2ccc(N)cc2)c(=O)ccn1CC(C)C 1857913646 SABINQIRUPBUSH-UHFFFAOYSA-N 300.402 3.228 10 10 DGCE Cc1nc(N(C)Cc2ccccc2O)c(N)cc1Br 1877539472 VWOUAGHUROHHTI-UHFFFAOYSA-N 322.206 3.077 10 10 DGCE C[C@H](CO)N(Cc1ccccc1)c1ccc(CO)cc1Cl 1914219713 CPODCYAFFJYGHV-CYBMUJFWSA-N 305.805 3.220 10 10 DGCE C[C@@H]1CCO[C@@H]1CCNCc1c(O)cccc1Br 1918146980 VCARSAYGMFQHFS-QMTHXVAHSA-N 314.223 3.059 10 10 DGCE C[C@H]1CSCCCN1c1ccc(CO)cc1Br 1940239382 XNGWKLQWHULZRU-JTQLQIEISA-N 316.264 3.273 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H](Cc1ccc(N)cc1)C(F)F 1952854287 QQXJIKHCAJXEFA-LLVKDONJSA-N 300.349 3.217 10 10 DGCE CN[C@H](c1ccccc1O)[C@@H]1C[C@@H](C)CN1C(=O)OC(C)(C)C 1976296631 GDTICMMDZORSEE-IVMMDQJWSA-N 320.433 3.298 10 10 DGCE CN[C@@H](c1ccccc1O)[C@@H]1C=CCN(C(=O)OC(C)(C)C)C1 1976513177 MMBISOWQESSKPK-CZUORRHYSA-N 318.417 3.076 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]2CCC[C@H]2N1CCCN=[N+]=[N-] 1982246814 ZPECTXWCEOOFBM-HZSPNIEDSA-N 323.441 3.455 10 10 DGCE C[C@H](CCO)N(Cc1ccccc1)c1ccc2c(c1)CC[C@H]2N 1986610560 SMVACBMBLQMRJC-FOIQADDNSA-N 310.441 3.410 10 10 DGCE C[C@H](CN(C(=O)OC(C)(C)C)C1CC1)[C@H](N)c1ccccc1O 1987611770 CUWVMDZTNKBPES-WBMJQRKESA-N 320.433 3.428 10 10 DGCE CC[C@H]1CCOC[C@@H]1NCc1cccc(Br)c1O 2035128449 FVWQQTCDMZTCQN-GWCFXTLKSA-N 314.223 3.059 10 10 DGCE C[C@@H]1C[C@H](CCNCc2ccc(Br)cc2O)CO1 2041486379 LVIDMXAAWQTLJM-MNOVXSKESA-N 314.223 3.059 10 10 DGCE CCOc1ccc(CN[C@H]2c3cnn(C)c3CC[C@@H]2F)cc1C 2062229453 UGNHJWGXEROTEN-YJBOKZPZSA-N 317.408 3.242 10 10 DGCE Nc1ccc(CCOc2ccc(N)cc2Br)cc1 2078136662 CYHJVFXZWBGQKB-UHFFFAOYSA-N 307.191 3.235 10 10 DGCE CCN(Cc1ccc(N)cc1)c1ncnc(C)c1Br 2090138424 JBHDZPYYNJIDMM-UHFFFAOYSA-N 321.222 3.156 10 10 DGCE CNCc1cc(F)c(N(C)C[C@H]2CC[C@@H](C)S2)c(F)c1 2151682304 HYMUCCCUTAYJOJ-ZYHUDNBSSA-N 300.418 3.405 10 10 DGCE CC(C)CO[C@H]1CCN(c2cc(Cl)c(CN)cc2F)C1 2177387758 IYVIWCSYUAHRTM-LBPRGKRZSA-N 300.805 3.189 10 10 DGCE Cc1nc(Cl)nc(Cl)c1CCN1CCC[C@H]1CN=[N+]=[N-] 2179619434 SAPACJMOQLBBBW-VIFPVBQESA-N 315.208 3.409 10 10 DGCE CN(Cc1cc(Cl)ccc1O)[C@@H]1CO[C@H](C(F)(F)F)C1 2185547451 WDEVBFJWKXLLSB-JQWIXIFHSA-N 309.715 3.197 10 10 DGCE C[C@H](N)c1ccc(N2CC(O)(c3cccs3)C2)c(Cl)c1 2193352058 CSJCXZBFSFVGPN-JTQLQIEISA-N 308.834 3.129 10 10 DGCE C[C@@H](N)c1ccc(N(C)C[C@]2(C)CSCCO2)c(Cl)c1 2201256737 KUKSYNVQRFAECM-IAQYHMDHSA-N 314.882 3.318 10 10 DGCE CCN(CC)c1ccc(CNC2CSCCSC2)cc1 2237046635 MWSHOFGNJVAYRV-UHFFFAOYSA-N 310.532 3.471 10 10 DGCE C[C@H](c1ccc(Cl)cc1O)N(C)C[C@H](F)[C@H]1CCOC1 2238371208 XJOUKHGRDWVIMC-SUNKGSAMSA-N 301.789 3.413 10 10 DGCE CSc1ncc(CNCc2cn3cccc(C)c3n2)s1 2284641503 SIFQUIMZZUWGQS-UHFFFAOYSA-N 304.444 3.111 10 10 DGCE CSc1ncc(CN[C@@H]2[C@H](CN)CCCC23CCC3)s1 2284701930 DUGQXMHULKAJTF-WCQYABFASA-N 311.520 3.252 10 10 DGCE CCC(CC)N(CCO)c1cc(Cl)c(OC)cc1OC 2285853762 KIWQJYFGIPSFNG-UHFFFAOYSA-N 301.814 3.345 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1CC[C@H]2C[C@@H]1CO2 2334108208 GHVLYWIIHXUOAH-SUZMYJTESA-N 302.201 3.356 10 10 DGCE Cc1ccc(CN(C)C(=O)C2[C@H]3CC[C@H]23)c(O)c1Br 2352657143 RJQSQUZJDMYLSM-QWRGUYRKSA-N 324.218 3.078 10 10 DGCE Cc1ccc(CN[C@@H](C)c2ccn(C)n2)c(O)c1Br 2352678556 FIHYYHXMNNRRNA-JTQLQIEISA-N 324.222 3.047 10 10 DGCE CN(Cc1ccccc1O)C(=O)CCC(=O)c1ccc(F)cc1 119975916 IMFFKFBHUMTKKK-UHFFFAOYSA-N 315.344 3.153 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)c1nc(C)sc1C 179255377 SKXNGGWKGRHFDX-UHFFFAOYSA-N 317.458 3.488 10 10 DGCE Cc1cc(Cl)cc(CN2CCO[C@H](c3nccs3)C2)c1O 180008225 BQWJYWDPVDHLME-ZDUSSCGKSA-N 324.833 3.384 10 10 DGCE COC[C@@H](Cc1ccccc1)N(C)Cc1ccc(OC)cc1O 187991866 VTMZMEUCLMXOAR-QGZVFWFLSA-N 315.413 3.090 10 10 DGCE CCN1CC[C@@H](N(C)Cc2ccc(N(C)C)c(F)c2)[C@H](C)C1 130483864 ZOUALUIBYYBDRT-RHSMWYFYSA-N 307.457 3.054 10 10 DGCE CCCCOCCCN[C@@H](C)c1ccc(N2CCOCC2)cc1 132007349 NDMQPLQTYKNSBE-KRWDZBQOSA-N 320.477 3.381 10 10 DGCE Cc1ccc(O)c(CN[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)c1 227629814 QLUIJVBWPZPXDQ-CABCVRRESA-N 320.433 3.236 10 10 DGCE CC[C@H]1OCC[C@@H]1CNCc1cccc(Br)c1O 234182819 ROMZVYUEMZEFAN-ZWNOBZJWSA-N 314.223 3.059 10 10 DGCE CSc1ncc(CN[C@]2(C(=O)O)CC[C@H](C)C[C@@H]2C)s1 2373829748 YBJKTPNBSMIDLV-PKFCDNJMSA-N 314.476 3.234 10 10 DGCE Cc1cc(C)c([C@@H](C)NC[C@H]2c3ccccc3C(=O)N2C)c(O)c1 528003513 PLVUGWJDXCACJQ-PBHICJAKSA-N 324.424 3.487 10 10 DGCE O=C(O)[C@@H]1CCCCCC[C@@H]1NCc1ccc2c(c1)CCO2 277281523 MAVLENHVAUTZKT-CVEARBPZSA-N 303.402 3.135 10 10 DGCE CN(C)c1ccc(CN(C(=O)[C@H]2CCC(C)(C)O2)C2CC2)cc1 278489728 LHLLDCSQKZIGMM-QGZVFWFLSA-N 316.445 3.201 10 10 DGCE CCN(CC)c1ccc(CNC(=O)N[C@H]2CC[C@@H]2C)cc1F 805094032 GKAAJAYKXUDWDG-WFASDCNBSA-N 307.413 3.270 10 10 DGCE CC(C)(CO)[C@@H](NCc1cc(Cl)c(F)cc1O)C1CC1 294039502 WEZGXBYELONMEP-AWEZNQCLSA-N 301.789 3.071 10 10 DGCE CO[C@H](C)c1nsc(N[C@H](C)c2ccc(N(C)C)cc2)n1 800864763 PXZGLEBXCYQSED-GHMZBOCLSA-N 306.435 3.485 10 10 DGCE CC(C)(C)[C@H](O)[C@@H](N)c1ccc(OCc2ccccc2)cc1O 396753469 XLFMCLGCYMCKLR-ZWKOTPCHSA-N 315.413 3.378 10 10 DGCE O=C(COC(=O)[C@H]1CCCC[C@@H]1C1CC1)c1ccc(O)c(O)c1 829746229 PLCOODYOLKPGMQ-KGLIPLIRSA-N 318.369 3.040 10 10 DGCE C[C@@H]1CN(Cc2cc(F)ccc2O)C[C@@H](CC(F)(F)F)O1 827787095 MIOJUKQUNMDJQU-BXKDBHETSA-N 307.287 3.073 10 10 DGCE CO[C@]1(CN[C@@H]2C[C@@H](C)c3c(F)ccc(O)c32)CCSC1 903314738 PFCQFSMYCOVKDN-SIVJFFJCSA-N 311.422 3.191 10 10 DGCE Oc1cc2c(cc1CN1CCC[C@@H]1CN1CCCCC1)CCC2 738097877 UQKXZEPSZXWJRG-LJQANCHMSA-N 314.473 3.331 10 10 DGCE CCN(CC)c1ccc(CN2C[C@@H](C)C(O)[C@H](C)C2)cc1F 827151574 FYRMKHZBCHKSTQ-ZIAGYGMSSA-N 308.441 3.121 10 10 DGCE Cc1cc(CO)cc(C)c1CN[C@H](C)c1ccc(F)cc1O 903307553 KAIXNJBRZRUDJS-CYBMUJFWSA-N 303.377 3.491 10 10 DGCE CN1CCC(CCNC/C=C\c2ccc(N(C)C)cc2)CC1 835038861 UQZYDYJYHNWCRS-PLNGDYQASA-N 301.478 3.087 10 10 DGCE Cc1ccc([C@H](C)NC[C@H]2CC[C@H](C(F)(F)F)O2)c(O)c1 903177888 CBFZSBLVVRDHBP-MISXGVKJSA-N 303.324 3.461 10 10 DGCE C[C@H](CNCc1ccc(O)cc1O)COCc1ccccc1 389927089 DSGZNHCVZVHTNS-CQSZACIVSA-N 301.386 3.040 10 10 DGCE CCOc1ccc(CN[C@@H](C)[C@@H]2C[C@H](C(=O)O)C2(C)C)c(O)c1 848640910 VXLREZMVCZESBA-TUKIKUTGSA-N 321.417 3.016 10 10 DGCE CC(C)(/C=C\Cl)NC(=O)NCCCSc1nccs1 921447728 QYHVJOLHHZPPOZ-PLNGDYQASA-N 319.883 3.456 10 10 DGCE CC1CCN(c2ccc(CNCc3cnn4c3CCC4)cc2)CC1 850128392 ATIIMLZATUZKNT-UHFFFAOYSA-N 324.472 3.355 10 10 DGCE CC[C@@H]1C[C@H](CN[C@@H]2CCN(c3ccc(OC)cc3)C2)CCO1 850347327 QILLTNOCTFANHT-JFIYKMOQSA-N 318.461 3.069 10 10 DGCE C[C@@H](NCc1c(C2CCC2)cnn1C)c1cc(F)ccc1O 850551294 QMCQTLNMVWEULE-LLVKDONJSA-N 303.381 3.383 10 10 DGCE CC[C@@H](NC[C@]12OCCC[C@H]1C2(F)F)c1ccc(F)cc1O 850532964 QEOJNQNNPLEEIZ-YUELXQCFSA-N 315.335 3.386 10 10 DGCE CCOc1ccc(CN(CCCN)c2ccccc2F)c(O)c1 753592104 WINSCTANQMARMQ-UHFFFAOYSA-N 318.392 3.285 10 10 DGCE CCN(C)c1ccc([C@@H](C)N[C@H]2CC=C(C(=O)OC)C2)cc1 858471952 FKOCRIVBTIIVFQ-CJNGLKHVSA-N 302.418 3.055 10 10 DGCE Oc1ccccc1CN(C[C@H]1C[C@@H]2C[C@@H]2C1)C[C@@H]1CCCO1 851841370 PUKGCEFSOLFVSS-RANZSIQMSA-N 301.430 3.419 10 10 DGCE CCNCc1ccccc1NC(=O)N[C@H](C)c1ccccc1O 868162770 IKXIIBLIQZSYHJ-CYBMUJFWSA-N 313.401 3.384 10 10 DGCE Cc1ccc(O)c(CNC(=O)C23CC(c4ccccc4)(C2)C3)c1 862757472 VNIGHTGCZOPBEZ-UHFFFAOYSA-N 307.393 3.439 10 10 DGCE CO[C@@H]1CC[C@H](C)N(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 868515929 XDEUFTMTXAASBT-JJRVBVJISA-N 319.449 3.023 10 10 DGCE CCOc1ccc(CN2CCN(c3ccccc3)CC2)c(O)c1 768139451 PJUVXCBDMCYZJY-UHFFFAOYSA-N 312.413 3.113 10 10 DGCE COc1ccc(C(=O)NCc2ccc(N(C)C)cc2C)cc1C 1126081508 CFNAQMXFDLMOKU-UHFFFAOYSA-N 312.413 3.308 10 10 DGCE CCN1C(=O)/C(=C/c2cncc3ccccc23)SC1=S 772802114 KVPISWDVFPHFDM-QPEQYQDCSA-N 300.408 3.456 10 10 DGCE Oc1c(F)cc(Br)cc1CN1CC(C2CC2)C1 894813303 OGZFQUILXNAZGA-UHFFFAOYSA-N 300.171 3.136 10 10 DGCE COc1ccc(F)c(NC(=O)c2ccc(N=NC(N)=O)cc2)c1 1137303401 WUTQJJYYRYSPOU-UHFFFAOYSA-N 316.292 3.249 10 10 DGCE CN(Cc1ccns1)Cc1c(O)cccc1Br 895452752 UXTSCRVPDAZRQW-UHFFFAOYSA-N 313.220 3.243 10 10 DGCE CN(C(=O)Cc1ccc(O)c(O)c1)[C@@H]1CCC[C@@H]1C(C)(C)C 1142514323 LJTPNOUKAZHPNW-UONOGXRCSA-N 305.418 3.314 10 10 DGCE C[C@@H](NC(=O)c1cc(C=O)sc1Cl)c1ccccc1O 1151892404 QNQVFGRCFWVLKM-MRVPVSSYSA-N 309.774 3.411 10 10 DGCE Cc1cc(C(=O)N[C@@H](C)c2ccccc2O)ccc1[N+](=O)[O-] 1171730618 QSOPVKAWMAVZBM-NSHDSACASA-N 300.314 3.100 10 10 DGCE Cc1ccc(O)c([C@H](C)NCc2cnn(C)c2Br)c1 2116554591 NUCQAFLVFITECF-JTQLQIEISA-N 324.222 3.047 10 10 DGCE CN(Cc1ccccc1O)C(=O)c1cc(C=O)sc1Cl 1445648172 LNZDXQZXDJDTKX-UHFFFAOYSA-N 309.774 3.192 10 10 DGCE O=C(/C=C\c1ccc(O)c(O)c1)Nc1n[nH]cc1-c1ccccc1 1456907376 FWJCWFAVNFDBOD-CLFYSBASSA-N 321.336 3.140 10 10 DGCE COc1ccc(N(Cc2ccccc2)C[C@@H](C)O)cc1OC 1460974911 TUDKWGIBDNJSLP-CQSZACIVSA-N 301.386 3.091 10 10 DGCE Cc1ccc(O)c(CNC(=O)NCCc2ccc(C)c(C)c2)c1 1470749936 WEQWDPNNJLFNPF-UHFFFAOYSA-N 312.413 3.359 10 10 DGCE CC(C)Oc1ccc(C(=O)NCc2cccc(Cl)c2O)cn1 1558756961 JIJZKWZYMLPMMF-UHFFFAOYSA-N 320.776 3.158 10 10 DGCE [N-]=[N+]=NCC1CCN(C(=O)c2coc(Br)c2)CC1 1912151604 JJGVKVRZRZOYGD-UHFFFAOYSA-N 313.155 3.205 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN(C(=O)c2ccncc2Br)C1 1912156203 LIIDHPCKGCZQLD-VIFPVBQESA-N 324.182 3.007 10 10 DGCE CC(C)c1cccc(C(=O)NCc2cccc(Cl)c2O)n1 1647830454 XDTYRCFMNVELDN-UHFFFAOYSA-N 304.777 3.494 10 10 DGCE Oc1c(Cl)cccc1CNc1ncncc1Br 1652315214 AGJCEXUPAQXHLM-UHFFFAOYSA-N 314.570 3.210 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)[C@@H](C)C(C)(C)C)cc1 1585449040 DLPINVKIPTUMAN-CQSZACIVSA-N 306.450 3.272 10 10 DGCE CO[C@H]1CCN(c2ccc([C@@H](C)O)cc2Br)[C@@H]1C 1914236553 OFCPQNBKTFXZLK-RULNRJAQSA-N 314.223 3.116 10 10 DGCE Oc1c(F)cc(Br)cc1CN[C@H]1C[C@H](CF)C1 1966083132 ABWIZXVAIHQVED-GVJMRKKJSA-N 306.150 3.132 10 10 DGCE Oc1c(Cl)cccc1CNCc1ccc2c(c1)OCCO2 158076721 ZMOXDNRHWSOLLQ-UHFFFAOYSA-N 305.761 3.107 10 10 DGCE Cc1ccc(O)c(CN[C@@H](C)c2cn(-c3ccccc3)nn2)c1 154127559 JJGCRTNYFPZDKL-AWEZNQCLSA-N 308.385 3.132 10 10 DGCE COCCN(CCOC)/N=N/c1ccccc1C(F)(F)F 1860486211 RTCNIRRLWBSZSC-ISLYRVAYSA-N 305.300 3.299 10 10 DGCE CCOC(=O)[C@@H]1CCCN(/N=N/c2ccc([N+](=O)[O-])c(C)c2)C1 1860488335 OALOZBXMPRQWIK-QIVXWBPLSA-N 320.349 3.177 10 10 DGCE CCC1=NN(CC(C)C)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1 1865680466 LUYASNCCOMFDKB-NTEUORMPSA-N 301.346 3.242 10 10 DGCE CC[C@H]1CCCCN1C(=O)CCNCc1cc(Cl)ccc1O 1857864702 BPXKKQLYNVQJCL-HNNXBMFYSA-N 324.852 3.316 10 10 DGCE CN(C[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2)c1ccc(CO)c(Br)c1 2134495777 CEMXZNMQVMCSMA-DLPRDNSUSA-N 322.246 3.280 10 10 DGCE CC[C@H](CNC(=O)OC(C)(C)C)[C@H](NC)c1ccccc1O 1928476608 LELXXNQLLXQIQR-DOMZBBRYSA-N 308.422 3.204 10 10 DGCE CCCN[C@@H](CCNC(=O)OC(C)(C)C)c1ccccc1O 1928477835 YZDKBUUTJRONCD-AWEZNQCLSA-N 308.422 3.348 10 10 DGCE C[C@@H](OCc1ccccc1)C(=O)N1CCC[C@@H](N=[N+]=[N-])CC1 1934380092 BCOPCVPCGYCPTB-UKRRQHHQSA-N 302.378 3.283 10 10 DGCE C[C@H](N)c1ccc(N2CC3(CSC3)C2)cc1Br 1942548228 IMPARGWCFLXWJH-VIFPVBQESA-N 313.264 3.022 10 10 DGCE OCc1ccc(N2CCS[C@H]3CC[C@@H]32)cc1Br 1946792182 RAWYGCAIPXATMC-STQMWFEESA-N 314.248 3.026 10 10 DGCE CC(F)(F)C1(NCc2cc(Br)ccc2O)CC1 1948710095 WSDRQLZNAFAFFI-UHFFFAOYSA-N 306.150 3.432 10 10 DGCE C[C@@H]1CC[C@@H]([C@@H](N)c2ccccc2O)N1C(=O)OC(C)(C)C 1974747480 GLMWMAOZEQEXCM-ZLDLUXBVSA-N 306.406 3.180 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H](Nc2ccccc2N)[C@H]2CCC[C@H]21 1977662773 OHZJAQMNHLKBTG-UHOFOFEASA-N 317.433 3.469 10 10 DGCE C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(c2ccc(N)cc2)C1 1977969435 APBDNWGHNZBJCF-CJNGLKHVSA-N 319.449 3.398 10 10 DGCE CN(C)c1ccc([C@@H](N)C2(N(C)C(=O)OC(C)(C)C)CC2)cc1 1977944667 JBMATIYYQRRJKL-OAHLLOKOSA-N 319.449 3.152 10 10 DGCE CCN[C@@H](c1ccccc1O)c1ccncc1Br 2029553087 LSSRQRGREGORGG-CQSZACIVSA-N 307.191 3.249 10 10 DGCE CCCO[C@@H]1CCCN(c2cc(Cl)c(CN)cc2F)C1 2177386343 ZUKQHQMBPZSFCX-GFCCVEGCSA-N 300.805 3.333 10 10 DGCE CCCN[C@]1(C(=O)O)C[C@H](C)C[C@@H](Sc2nccs2)C1 2175482012 BLXPMELLENATJX-JTNHKYCSSA-N 314.476 3.247 10 10 DGCE Cc1ccc(Cn2nc(-c3ccccc3)cc2C(=O)O)c(O)c1 2069894777 CKHJOBHSOHUWDL-UHFFFAOYSA-N 308.337 3.311 10 10 DGCE CCOC(=O)c1cnn([C@@H](C)c2ccc(F)cc2O)c1Cl 2070386186 JNUWMIQROYJNNA-QMMMGPOBSA-N 312.728 3.167 10 10 DGCE N[C@H]1CCc2cc(N3CCS[C@H](C(F)(F)F)C3)ccc21 2184739262 DQJROCUVPLNETA-STQMWFEESA-N 302.365 3.117 10 10 DGCE COc1ccc(Br)c(CNc2cccnc2)c1O 2220461727 AFSRPPSGORLSOK-UHFFFAOYSA-N 309.163 3.170 10 10 DGCE CC(F)(F)c1cnc(Sc2nc(CC(=O)O)cs2)s1 2264515985 VYFHBPJLXCSMEY-UHFFFAOYSA-N 322.383 3.490 10 10 DGCE Cc1sc([C@@H](O)Cc2ccc(N)cc2)nc1C(F)(F)F 2295486667 ZMBAORNYVLEFBV-JTQLQIEISA-N 302.321 3.329 10 10 DGCE CC=CC[C@H](CO)N[C@@H](C)c1ccc(Br)cc1O 2309492197 VLFYEHOPFGMVLU-CMPLNLGQSA-N 314.223 3.132 10 10 DGCE COC1CC(N(C)Cc2ccc(C)c(Br)c2O)C1 2327613004 QVTLOGLRCQZRJP-UHFFFAOYSA-N 314.223 3.072 10 10 DGCE CC(C)[C@H](C)NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 53958696 CNCLSGYQEDDCFK-GOEBONIOSA-N 320.433 3.127 10 10 DGCE Cc1cccc(-n2c(C)cc(C(=O)N(C)[C@@H]3CCOC3)c2C)c1 106843751 FPMNCRADNBOOMT-QGZVFWFLSA-N 312.413 3.263 10 10 DGCE Oc1cccc(-c2nc(Cc3ccccc3Cl)no2)c1O 126860533 RNFRXGXBCCAISZ-UHFFFAOYSA-N 302.717 3.392 10 10 DGCE CC[C@H](N[C@@H]1CCN(c2ccccc2)C1=O)c1ccccc1O 183312543 PTHJQGAVALXIJF-DLBZAZTESA-N 310.397 3.238 10 10 DGCE Cc1cccc2nc(C(=O)O)c(/N=N\c3ccccc3C(=O)O)n12 71591021 YSVHIGLYHPLOII-HNENSFHCSA-N 324.296 3.455 10 10 DGCE COc1ccc(O)c(CN2C[C@H](C)OC[C@@H]2c2ccccc2)c1 245865093 PVBMZKRVASENFX-KBXCAEBGSA-N 313.397 3.363 10 10 DGCE C[C@@H]1CCN(c2ccc(/C=C\C(=O)O)c(Br)c2)C1 382405500 MWRHGCSJPXDDNV-TZGMSPROSA-N 310.191 3.393 10 10 DGCE C[C@@H](N[C@@H]1CCc2cccc(O)c21)c1ccc(-n2cncn2)cc1 295853411 GDMBUCVADJVLIH-CXAGYDPISA-N 320.396 3.311 10 10 DGCE Oc1cc(F)c(Cl)cc1CNCC[C@H](O)c1ccccc1 294009217 UCSPHKUIFVWBNR-HNNXBMFYSA-N 309.768 3.398 10 10 DGCE CCCN(CCC)c1ccc(CN2CC[C@@](F)(CO)C2)cc1 802660494 NDDRWJHWZXBAJB-SFHVURJKSA-N 308.441 3.219 10 10 DGCE CC[C@H](NCC[C@@H](C)[S@@](C)=O)c1cccc(Cl)c1O 806147981 BRPSNXCNBWVZDV-KPGGICDASA-N 303.855 3.243 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H](C)n2cccc2)c1 729535883 WGWLYPNQPHNIAP-CHWSQXEVSA-N 302.374 3.031 10 10 DGCE CCN1CCN(c2ccc(CN[C@@H]3C[C@H](C)[C@@H]3C)cc2F)CC1 813858589 ASTNSTOIYXMANF-RLFYNMQTSA-N 319.468 3.102 10 10 DGCE CCN1CC[C@H](N(C)C/C=C\c2ccc(N(C)C)cc2)[C@H](C)C1 835026114 QMDXNSFXYFLSPS-NCPUXXIWSA-N 315.505 3.428 10 10 DGCE CCN(CC1CC1)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] 732666086 HCBZZULUUYVSLS-CLFYSBASSA-N 304.346 3.017 10 10 DGCE O=C(NCc1c(O)ccc2c1CCCC2)NC[C@@H]1C[C@H]1C1CC1 836662130 SIZHUHYGNBZOLS-HOCLYGCPSA-N 314.429 3.116 10 10 DGCE Cc1cc(O)c(CN2CCC[C@H](c3cc[nH]n3)C2)c(Cl)c1 840909887 AZFIWTBCRXQWOS-LBPRGKRZSA-N 305.809 3.457 10 10 DGCE Cc1ccc(O)c([C@@H](C)N[C@H]2CCCc3c2ccc(=O)n3C)c1 846215077 JZQSAQDDUNWBOO-CJNGLKHVSA-N 312.413 3.128 10 10 DGCE Fc1ccc(N2CC[C@@H](NCc3ccc4c(c3)CCO4)C2)cc1 840976864 GXHCDYHIRSEMMW-QGZVFWFLSA-N 312.388 3.129 10 10 DGCE CCOc1cccc(CN[C@@H](C)[C@@](C)(O)c2ccccc2)c1O 846034698 BMZPQCRJGIPVOV-IFXJQAMLSA-N 315.413 3.177 10 10 DGCE CSC1CCC(CNC(=O)/C=C\c2ccc(O)c(O)c2)CC1 927387109 ZBYUDQNYTGGDFE-UITAMQMPSA-N 321.442 3.149 10 10 DGCE COc1ccc(N2CC[C@H](N[C@H]3CC(C)(C)OC3(C)C)C2)cc1 850489149 RHUKUEQWUOZKKR-YOEHRIQHSA-N 318.461 3.210 10 10 DGCE COc1ccc(N2CC[C@H](N[C@@H](C)c3nc(C)cs3)C2)cc1 858431364 VZIDKWHGWICQQH-KBPBESRZSA-N 317.458 3.390 10 10 DGCE CC(C)C(=O)[C@H](NC(=O)c1cc(O)cs1)c1ccccc1 926894243 MBQORWIGCHHAIZ-CQSZACIVSA-N 303.383 3.150 10 10 DGCE COCC[C@@H]1CCC[C@H]1N[C@@H]1CCN(c2ccc(OC)cc2)C1 850487906 JZUGMPUTZZSALQ-FRQCXROJSA-N 318.461 3.069 10 10 DGCE CC[C@H](NC[C@@H]1CC2(CCOCC2)CO1)c1ccc(C)cc1O 866533371 QKYVBZCSASDQTQ-RDJZCZTQSA-N 319.445 3.327 10 10 DGCE COC(=O)[C@H]1C[C@@H](C2CCCCC2)CN1Cc1ccccc1O 779034578 YOGUSDQNJYHDSE-IAGOWNOFSA-N 317.429 3.336 10 10 DGCE C[C@@H]1C[C@@H](N(C)Cc2cc(Cl)cc(F)c2O)CCN1C 775717193 NOHBLMFXBGAEGZ-MFKMUULPSA-N 300.805 3.099 10 10 DGCE CCc1cc(N2CC=C(c3ccc(Cl)nc3)CC2)ncn1 773254019 HXHILJVHAIODBD-UHFFFAOYSA-N 300.793 3.381 10 10 DGCE Cc1cc(O)c(CNC[C@@H]2CC[C@]3(CO[C@@H](C)[C@H]3C)O2)cc1C 886338258 IXRFSYWWYUQZMS-WXSAJPJJSA-N 319.445 3.071 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@@H]2CCC[C@@H]2OC)cc1F 1136730694 YPPDVCQUJUBJOV-PBHICJAKSA-N 322.424 3.103 10 10 DGCE O=C(NCc1ccccc1O)[C@@H](c1ccncc1)C1CCCC1 896014927 FTHHQAJSSGEYPO-GOSISDBHSA-N 310.397 3.377 10 10 DGCE O=C(CSc1ccc(Cl)cc1)NCc1cccc(O)c1O 1153791646 FRUTYSPNELTINT-UHFFFAOYSA-N 323.801 3.160 10 10 DGCE COc1ccc(N(C)Cc2cccnc2Br)cc1 1474612940 BTUUHBMVKPWLDT-UHFFFAOYSA-N 307.191 3.489 10 10 DGCE C[C@@H](NCCCCNC(=O)OC(C)(C)C)c1cc(O)ccc1O 397852002 KGHUUAYRRQRRAJ-GFCCVEGCSA-N 324.421 3.053 10 10 DGCE C[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C)c1ccccc1O 704620541 KLKSSYIJQPRCBZ-YDHLFZDLSA-N 320.433 3.441 10 10 DGCE C[C@@H](NCc1c(O)cccc1Br)c1cccnc1 706863880 WCUOEMVJULTOEG-SNVBAGLBSA-N 307.191 3.401 10 10 DGCE Oc1c(Cl)cccc1CNC[C@@H]1CC[C@@H](C(F)(F)F)O1 722402968 BEDZYTSKWWQFQT-ONGXEEELSA-N 309.715 3.245 10 10 DGCE C[C@@H](N)c1ccc(N2CCO[C@](C)(C(F)F)C2)c(Cl)c1 698821766 LGEAEOOIHRTQPJ-OTYXRUKQSA-N 304.768 3.220 10 10 DGCE CCCOc1cc(C)ccc1NC(=O)Cc1ccc(O)c(O)c1 1542123393 FEAUPQFFMNMALE-UHFFFAOYSA-N 315.369 3.376 10 10 DGCE CC[C@@H](C[C@@H](C)O)NC(=O)c1sccc1-n1c(C)ccc1C 1558010374 YQAHHCWWKSGNDG-KGLIPLIRSA-N 320.458 3.435 10 10 DGCE [N-]=[N+]=N[C@H]1CCN(C(=O)c2csc(Br)c2)C1 1912159730 LVXDFNGNWXVYNC-ZETCQYMHSA-N 301.169 3.035 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1COC(C)(C)C1 1636867447 ATGYGQLXYNOXDV-CYBMUJFWSA-N 318.442 3.453 10 10 DGCE O=C(/C=C\c1ccccc1)NCc1ccc2cccnc2c1O 1643284564 GXMPTVPUKVYVDB-FLIBITNWSA-N 304.349 3.270 10 10 DGCE C[C@@H](Oc1cccc(F)c1)C(=O)NCc1cccc(Cl)c1O 1640402355 RCFBHEDLSNIANW-SNVBAGLBSA-N 323.751 3.268 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)C2=CC[C@H](C)CC2)cc1 1583621283 FLUGVSNFNVESLW-HNNXBMFYSA-N 316.445 3.336 10 10 DGCE C[C@@H](CCCCCO)NCc1cc(Br)ccc1O 1969749728 NQQZYTYAHJAKMD-NSHDSACASA-N 316.239 3.186 10 10 DGCE CN(C)c1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1 28824594 PZCXULXVWAJPMJ-UHFFFAOYSA-N 317.190 3.453 10 10 DGCE NCc1ccc(N2CC[C@H]2C2CCC2)c(F)c1Br 2028300136 LFCIYNIGBBLZDB-NSHDSACASA-N 313.214 3.426 10 10 DGCE O=C(O)[C@]1(NC2CC2)CCC[C@@H](CSc2nccs2)C1 403872228 LNXDMLTYNSBSKU-YGRLFVJLSA-N 312.460 3.001 10 10 DGCE CC[C@H](N[C@@H](C)[C@H](O)CC)c1cc(Br)ccc1O 386749368 GEVRDNJJGNHPTB-TVYUQYBPSA-N 316.239 3.355 10 10 DGCE CCOC(=O)c1cc(C2CC2)nn1Cc1ccc(Cl)cc1O 2069926391 YTOGQQIXVNXMPT-UHFFFAOYSA-N 320.776 3.345 10 10 DGCE CC[C@H](COC(F)F)NCc1cc(Cl)cc(OC)c1O 2187462441 XACUAVGIBKXQSV-SNVBAGLBSA-N 309.740 3.162 10 10 DGCE Oc1ccc(Br)cc1CN[C@H]1CC12CC(F)(F)C2 2069085231 SFORTLMQWSEHDZ-NSHDSACASA-N 318.161 3.432 10 10 DGCE CC(C)(C)OC(=O)N1[C@H]([C@H](N)c2ccccc2O)CCC12CC2 2210286935 UQUGHVDHEYPWHN-DZGCQCFKSA-N 318.417 3.324 10 10 DGCE Cc1ncoc1CN(C)c1ccc([C@@H](C)N)cc1Br 2105598017 GYILTSIQKZRMIO-SECBINFHSA-N 324.222 3.402 10 10 DGCE C[C@@H](N)c1ccc(N2CCn3cccc3C2)cc1Br 2114530661 MGIFHROKVQBOQG-LLVKDONJSA-N 320.234 3.291 10 10 DGCE COC(=O)c1ccc(-c2ccc(C3=S=CC=C3)s2)cn1 2205866949 RQCYJRWLTZBHPF-UHFFFAOYSA-N 301.392 3.222 10 10 DGCE CCC[C@](CSc1nccs1)(NC1CC1)C(=O)OCC 2207862964 JCUWDGIVGXEFBZ-CQSZACIVSA-N 314.476 3.089 10 10 DGCE CC[C@H](C)C[C@@](CSc1nccs1)(NC1CC1)C(=O)O 2207923763 QEPSVZMHAUUWDH-HZMBPMFUSA-N 314.476 3.247 10 10 DGCE COc1ccc(Br)c(CN2C[C@@H](C)[C@@H](C)C2)c1O 2220490226 ZTBXEQLESLOEPX-AOOOYVTPSA-N 314.223 3.251 10 10 DGCE CSc1ncc(CNC[C@@H]2CC[C@@H]3CCCC[C@H]3N2)s1 2284716664 ZXHIRAHTSJGNOO-SGMGOOAPSA-N 311.520 3.265 10 10 DGCE COc1ccc2[nH]cc(C=C3SC(=S)N(C)C3=O)c2c1 2296595880 OYDKARIDIYZMEC-UHFFFAOYSA-N 304.396 3.008 10 10 DGCE Cc1ccc(-n2c(C)cc(C=CC(=O)N3CC[C@@H](O)C3)c2C)cc1 2297759183 WBCNRIDYVAOBSE-LJQANCHMSA-N 324.424 3.009 10 10 DGCE CCC[C@@H](COC)NCc1ccc(C)c(Br)c1O 2327623412 HGGFINDOAIFXBS-LBPRGKRZSA-N 316.239 3.368 10 10 DGCE Cc1ccc(CNCc2c(O)cccc2Br)cc1O 2344931356 SQCYYUWFHRPONL-UHFFFAOYSA-N 322.202 3.459 10 10 DGCE Cc1ccc(CN(C)C(=O)c2ccco2)c(O)c1Br 2352656487 PCJFFMWBRIJIJH-UHFFFAOYSA-N 324.174 3.328 10 10 DGCE CCN(Cc1ccc(N)cc1)C(=O)c1cc(Cl)ccc1O 35361061 ATYHQBRXDIWKNI-UHFFFAOYSA-N 304.777 3.290 10 10 DGCE Cc1cccc2sc([C@@H](N)Cc3ccc(O)c(O)c3)nc12 91944723 VTJFCPBWLVCMSG-NSHDSACASA-N 300.383 3.258 10 10 DGCE CCO[C@@H]1C[C@H](N(C)Cc2ccc(OC)cc2O)C12CCC2 92041141 DGIWGJIDNIXEHY-DLBZAZTESA-N 305.418 3.180 10 10 DGCE COc1ccc2nc(C3C(=O)c4ccccc4C3=O)sc2c1 100918253 NNDHLDKBNXLNET-UHFFFAOYSA-N 309.346 3.468 10 10 DGCE Cc1cc(C(=O)NCCOc2ccc(N)cc2)ccc1Cl 138085423 ZTHJXWYUIYKNFP-UHFFFAOYSA-N 304.777 3.039 10 10 DGCE CN(Cc1cscn1)c1ccc(CN)cc1C(F)(F)F 163705323 WOJUVJSFLXTALD-UHFFFAOYSA-N 301.337 3.257 10 10 DGCE Cc1ccc(O)c(CN2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1 246086637 IHJVOQNQAQSWPK-YJBOKZPZSA-N 300.446 3.149 10 10 DGCE Cc1cc(O)ccc1NS(=O)(=O)Cc1ccc(Cl)cc1 253459465 JCKDDKSFVCLBMW-UHFFFAOYSA-N 311.790 3.296 10 10 DGCE C[C@H](N[C@@H]1CCOC[C@H]1C)c1cc(Br)ccc1O 278623286 RQAWNPHASIZDRN-GBIKHYSHSA-N 314.223 3.230 10 10 DGCE Cc1cccc(CNC[C@@H](C)N(C)C(=O)OC(C)(C)C)c1O 282962238 IAEUOIKRVZAEFY-CYBMUJFWSA-N 308.422 3.046 10 10 DGCE CCn1nccc1CCN(Cc1ccc(N(C)C)cc1)C(C)C 284082513 SCYHNFFLSKEKNU-UHFFFAOYSA-N 314.477 3.422 10 10 DGCE C[C@]1(c2ccc(F)cc2)CCN(C(=O)c2cccc(O)c2O)C1 369539883 GXWSSGZRKGVFOR-SFHVURJKSA-N 315.344 3.041 10 10 DGCE C[C@H](N[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1O 382484468 SPNKJOLJLBPHMD-MJBXVCDLSA-N 320.433 3.489 10 10 DGCE C[C@@H](CNCc1ccc2c(c1)CCN2C)N(C)Cc1ccccc1 390576401 DNCJWYULRGFRKA-KRWDZBQOSA-N 323.484 3.289 10 10 DGCE Nc1ccc(CN2C[C@@H](c3ccc(F)c(F)c3)OC2=O)cc1 585898502 XAQRXILVSWPTBH-HNNXBMFYSA-N 304.296 3.241 10 10 DGCE CC[C@@H](O)CN(Cc1cccc2c1CCNC2)c1ccccc1 662253270 HBFYDLVNUVACOG-LJQANCHMSA-N 310.441 3.110 10 10 DGCE CO[C@@H]1CC[C@@H]1NCc1cc(Cl)cc(Br)c1O 724199315 QOBOORSLSCBZJB-WDEREUQCSA-N 320.614 3.075 10 10 DGCE Cc1cc(CCNC(=O)c2cc[nH]c2)c(C)n1-c1ccccc1 731600107 WBDXVCCLKJLQNV-UHFFFAOYSA-N 307.397 3.395 10 10 DGCE CN1CCCc2cc(/C=C3\N=C(c4ccccc4)OC3=O)ccc21 748044871 NHCWJPZZDUJGGL-LGMDPLHJSA-N 318.376 3.414 10 10 DGCE Cc1cccc(-n2c(C)cc(C(=O)NC(C)(C)[C@@H](C)O)c2C)c1 770439332 BTJZBHSLWWOXQM-OAHLLOKOSA-N 314.429 3.292 10 10 DGCE COc1cc(O)c(CN[C@@H](C)c2nc(C)cs2)cc1OC 776162906 NOGXXTPSVKZBRY-JTQLQIEISA-N 308.403 3.025 10 10 DGCE Cc1cc(N(C)C)ccc1CN[C@@H]1CCN(C)[C@@H]2CCC[C@@H]12 796772263 PQWIAKNWJBEUHB-IPMKNSEASA-N 301.478 3.023 10 10 DGCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc2cc[nH]c2c1 808094726 CHAKRYOHVCCITI-UHFFFAOYSA-N 315.369 3.289 10 10 DGCE CO[C@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C1CCCC1 832437312 ZDAGJDHXZYAIKJ-GUYCJALGSA-N 304.434 3.135 10 10 DGCE COCc1nc(CNC/C=C/c2ccc(N(C)C)cc2)cs1 835056001 QULZCKMENGJEEY-SNAWJCMRSA-N 317.458 3.159 10 10 DGCE C[C@@H](N[C@H]1CCN(c2ccc(F)cc2)C1)c1ccccc1O 840896619 JIVRHIGSBZXXPD-HIFRSBDPSA-N 300.377 3.461 10 10 DGCE C/C(=C\c1cccnc1)C(=O)NCc1ccc(N2CCCC2)cc1 847339303 SFMYFDBXNYRYTH-DTQAZKPQSA-N 321.424 3.402 10 10 DGCE CCc1cccc(CN2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c1O 848907405 CSWWCGBLTNZREC-DOXZYTNZSA-N 319.445 3.113 10 10 DGCE CCOc1cccc(N2Cc3cccc(O)c3C2)c1[N+](=O)[O-] 866117644 QHTGQDYEBVVZMN-UHFFFAOYSA-N 300.314 3.219 10 10 DGCE C[C@H](N[C@@H](C1CCC1)[C@@H]1CCOC1)c1cc([N+](=O)[O-])ccc1O 866513023 RHGPUTCRVCPLKH-PPHDSNJXSA-N 320.389 3.156 10 10 DGCE Cc1ccnc(N)c1CN(Cc1ccc(N(C)C)cc1)C(C)C 893948329 TWONGJUAVZNECL-UHFFFAOYSA-N 312.461 3.449 10 10 DGCE COC(=O)/C=C\c1ccc(N(C)CCC(C)C)c([N+](=O)[O-])c1 917094808 KNBUKUIGHYYBPM-VURMDHGXSA-N 306.362 3.263 10 10 DGCE Oc1ccc(Cl)c(F)c1CN[C@@H](C1CC1)[C@H]1CCCOC1 922895700 GEHDRYDLITXXTB-ZBEGNZNMSA-N 313.800 3.480 10 10 DGCE C[C@H](NCC[C@@H](N(C)C)C(F)(F)F)c1cc(F)ccc1O 926962121 KBTWZBKQNRCCMO-TVQRCGJNSA-N 308.319 3.065 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C)c(C=O)s2)c1 1137473586 OKAQHRYJGZCZAH-SNVBAGLBSA-N 319.382 3.074 10 10 DGCE Cc1ccc(C(=O)N[C@H](C)COCC2CCCCC2)c(O)c1O 1156148175 PVWWKBDENVPZFS-CYBMUJFWSA-N 321.417 3.121 10 10 DGCE COc1ccc(NC(=O)c2cccc(O)c2O)cc1SC 1299169103 ZECLQPKHPSNJJJ-UHFFFAOYSA-N 305.355 3.081 10 10 DGCE COc1ccc(N(C)CC(=O)Nc2cccc(Cl)c2)cc1 1307903936 ABSVLNKCOCBNMF-UHFFFAOYSA-N 304.777 3.424 10 10 DGCE CCN(C)c1nnc(C2CC2)n1Cc1ccc(N(C)C)cc1C 1501466257 XKVGCAJNAONGPZ-UHFFFAOYSA-N 313.449 3.034 10 10 DGCE Cc1ncccc1/C=C/C(=O)N1C[C@@H](C)Oc2cc(F)ccc21 1523588043 VGMREMYJIHRYBB-FZKGZDJFSA-N 312.344 3.356 10 10 DGCE COc1ccc(N(C)C(=O)/C=C(\C)c2cnccn2)cc1Cl 1534783009 VIIYJYFFMYVMTF-DHZHZOJOSA-N 317.776 3.205 10 10 DGCE COc1cc(NC(=O)OC(C)(C)C)ccc1[C@@H](CO)N=[N+]=[N-] 1535998768 JDHBJNWJNDJUOU-LLVKDONJSA-N 308.338 3.386 10 10 DGCE Oc1cccc(F)c1CNc1nc2ccccc2n2cncc12 1559284915 WDIAFCCLEMFWQD-UHFFFAOYSA-N 308.316 3.339 10 10 DGCE Cc1ccc(O)c(CNC(=O)[C@@H]2Cc3ccc(Cl)cc32)c1 1641733408 URNMAVVHBFUMKD-OAHLLOKOSA-N 301.773 3.310 10 10 DGCE CSc1ncc(Cl)c(C(=O)N[C@H](C)c2ccccc2O)n1 1642824419 UHJSOSSARBRGIE-MRVPVSSYSA-N 323.805 3.049 10 10 DGCE O=C(NCc1cccc(Cl)c1O)c1cccc(Cl)c1O 1647830500 ZIBIWSVRDAMWDH-UHFFFAOYSA-N 312.152 3.335 10 10 DGCE CC(=O)c1cccc(NC(=O)NCc2c(O)cccc2F)c1 1665029825 ZJDQPIDOQOSNTF-UHFFFAOYSA-N 302.305 3.056 10 10 DGCE Cc1cc(=Nc2cc([N+](=O)[O-])ccc2O)[nH]c(-c2ccccc2)n1 1859842637 JEKLZLGQWJAMOP-UHFFFAOYSA-N 322.324 3.231 10 10 DGCE Cc1ncnc(N(C)[C@H](C)c2ccccc2O)c1Br 1877539095 RFLPXTQJUAQJME-SNVBAGLBSA-N 322.206 3.451 10 10 DGCE [N-]=[N+]=N[C@@H]1CCN(C(=O)c2csc(-c3cccs3)n2)C1 1912185121 MAXFPRBNZWXSGK-MRVPVSSYSA-N 305.388 3.396 10 10 DGCE CC1(C)C[C@H]([C@@H](N)c2ccccc2O)N(C(=O)OC(C)(C)C)C1 1912801366 QHFSZSCBJRWQHP-HIFRSBDPSA-N 320.433 3.428 10 10 DGCE C[C@H](N)c1ccc(N(Cc2ccccc2)C2COC2)c(F)c1 1915679420 VLVAFYGOMPUVLZ-ZDUSSCGKSA-N 300.377 3.251 10 10 DGCE N[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C2(CCC2)C1 1925224663 YCRVJLLJIMAOMD-NSHDSACASA-N 301.217 3.155 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]1(C)[C@H](N)c1ccccc1O 1936969616 ZWACMFNKMIYFTB-CDHAZOANSA-N 320.433 3.285 10 10 DGCE CCN[C@@H](c1ccccc1O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 1937073022 RMXXGGSOUWAMBJ-XJKCOSOUSA-N 320.433 3.346 10 10 DGCE Cc1cccc(CN[C@@]23C[C@H]2CN(Cc2ccccc2)C3)c1O 1939380323 OLHULWZARPBEGP-AZUAARDMSA-N 308.425 3.065 10 10 DGCE CC(C)(C)OC(=O)Nc1ccc(O)c([C@H]2CSCCN2)c1 1952895186 FIWTZLSENLJZAI-GFCCVEGCSA-N 310.419 3.117 10 10 DGCE CO[C@@](C)(Cc1ccc(N)cc1)[C@@H](C)NC(=O)OC(C)(C)C 1952943479 PKOZXRNKGPURSP-PXAZEXFGSA-N 308.422 3.130 10 10 DGCE CN(CCCN=[N+]=[N-])[C@H]1CC[C@@H]1NC(=O)OCc1ccccc1 1954206419 GGNSHBYKSRENPW-GJZGRUSLSA-N 317.393 3.076 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H]2CN(CCN=[N+]=[N-])CC[C@H]21 1962287608 KXOFNFDNXLUFHU-QWHCGFSZSA-N 309.414 3.018 10 10 DGCE CC1(C)OCCC[C@H]1NCc1cc(Br)ccc1O 1967882529 XWPDHNQVEIHCKR-CYBMUJFWSA-N 314.223 3.202 10 10 DGCE CCC1(NCc2c(C)cccc2O)CN(C(=O)OC(C)(C)C)C1 1976875837 PHBWNCONAQUGME-UHFFFAOYSA-N 320.433 3.190 10 10 DGCE CC[C@H](C[C@H](O)c1ccc(N(C)C)cc1)NC(=O)OC(C)(C)C 1977937892 FJKMKOVABMKAOP-ZBFHGGJFSA-N 322.449 3.479 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCN(CCCN=[N+]=[N-])C1 1982245532 JAFOBXKFSXUUBR-KGLIPLIRSA-N 323.441 3.408 10 10 DGCE CCCN(CCCO)c1ccc([C@H](C)N)cc1Br 2032098830 CUFTWRVEQXCKOL-NSHDSACASA-N 315.255 3.068 10 10 DGCE CC[C@H](c1cc(Br)ccc1O)N(CC)C[C@H](C)N 2041174838 AEVVUYZJNIZLIN-GXFFZTMASA-N 315.255 3.275 10 10 DGCE Oc1c(Br)cccc1Cn1ccc(C(F)(F)F)n1 2070085282 JKCBKRRFZDZHRO-UHFFFAOYSA-N 321.096 3.418 10 10 DGCE Cc1c(C(C)C)nn(Cc2c(O)cccc2Br)c1N 2079735488 BKJNISIRLSFZNI-UHFFFAOYSA-N 324.222 3.414 10 10 DGCE CN1CCc2cc([C@](C)(O)c3ccc(Br)o3)ccc21 2106804807 GFRKEQNHCUGNDL-HNNXBMFYSA-N 322.202 3.290 10 10 DGCE Cc1cccc(CNCc2cccc(O)c2Br)c1O 2139762201 PCOMIRNVILBBLL-UHFFFAOYSA-N 322.202 3.459 10 10 DGCE CCCC(=O)NCCCNCc1cc(Cl)cc(Cl)c1O 2158720889 OCVSYUFOMWJEAM-UHFFFAOYSA-N 319.232 3.095 10 10 DGCE CCN(CC)c1ccc([C@]2(O)CCCC3(CC2)OCCO3)cc1 2163100259 PLNAJMAICFVBPD-SFHVURJKSA-N 319.445 3.428 10 10 DGCE C[C@@H](O)c1ccc(N2CCS[C@H]3COCC[C@@H]32)cc1Cl 2170505230 ODXPPBYUTMAFBB-ONERCXAPSA-N 313.850 3.104 10 10 DGCE OC[C@H]1CC[C@](F)(CNCc2ccc(Cl)cc2O)CC1 2178635631 GFXBLTKDZWGFAS-WGRBQBNCSA-N 301.789 3.026 10 10 DGCE OC[C@]12CCC[C@@]1(CNCc1cc(Cl)cc(Cl)c1O)C2 2208158726 CBDWKVDADFUKID-LSDHHAIUSA-N 316.228 3.341 10 10 DGCE CN(Cc1cc(Cl)cc(Cl)c1O)C[C@@]1(F)CCOC1 2229939598 DBCVJIHWMMSIKC-ZDUSSCGKSA-N 308.180 3.259 10 10 DGCE CC1(OC(=O)C=Cc2ccc(N3CCOCC3)cc2)CCC1 2298697810 OQIZMFUMPHOGPR-UHFFFAOYSA-N 301.386 3.022 10 10 DGCE NC[C@H]1C[C@@H]2CC[C@H]1N2Cc1cc(Cl)cc(Cl)c1O 2330486935 BVDNGGDSDLKCKZ-YDEJPDAXSA-N 301.217 3.011 10 10 DGCE C[C@H]1CCC[C@@H](CN)N1Cc1cc(Cl)cc(Cl)c1O 70150876 SCVUGPWCDJKELG-CABZTGNLSA-N 303.233 3.401 10 10 DGCE Cc1c(C(=O)O)sc2ncnc(Sc3nccs3)c12 70442681 PZCHIJRQBKGPIZ-UHFFFAOYSA-N 309.397 3.306 10 10 DGCE CC(C)N(Cc1ccc(N)cc1)C(=O)c1ccc(Cl)cn1 79728388 CDNZRVSYQKRWPY-UHFFFAOYSA-N 303.793 3.368 10 10 DGCE C[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCc1ccccc1Cl 96642812 FGMDRTQUPHWCIO-NSHDSACASA-N 319.788 3.246 10 10 DGCE COc1cccc(CNC(=O)/C=C(/C)c2cccc(F)c2)c1O 111597755 SSSIVNXBPMULLR-XFXZXTDPSA-N 315.344 3.260 10 10 DGCE C[C@@H](Nc1cccc(NS(C)(=O)=O)c1)c1ccc(F)cc1O 170789035 RIWNBIZIXGVJAR-SNVBAGLBSA-N 324.377 3.076 10 10 DGCE CC(C)C[C@@H](CN(C)C)N[C@H](C)c1ccc(F)c(F)c1O 187698272 AQIHABBHMZVOLS-NEPJUHHUSA-N 300.393 3.297 10 10 DGCE Cc1ccc(O)c(CNC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 230167500 RWSIQEQZUHJKAG-AWEZNQCLSA-N 320.433 3.047 10 10 DGCE CO[C@H]1CCCN(c2ccc([C@H](C)N)cc2Br)C1 230262499 BNZJRDZBEHPPNM-JQWIXIFHSA-N 313.239 3.084 10 10 DGCE Oc1ccc(CNc2ccc(Br)cc2)c(O)c1O 236595991 MEQYKAFFVVGZNO-UHFFFAOYSA-N 310.147 3.178 10 10 DGCE Cc1ccc(O)c(CN[C@@H]2CCOC3(CCSCC3)C2)c1 269340173 OXFIWLQZPBJOKB-OAHLLOKOSA-N 307.459 3.235 10 10 DGCE C[C@H](CCN[C@@H]1CCc2cccc(O)c21)NC(=O)OC(C)(C)C 297127005 YUWSGZFQOUBFCK-TZMCWYRMSA-N 320.433 3.272 10 10 DGCE Oc1ccc(CNCc2csc(Br)c2)cc1O 397348285 YYPHJCUYAUTRKN-UHFFFAOYSA-N 314.204 3.212 10 10 DGCE CC[C@H](NCc1ncc(C)[nH]1)c1cc(Br)ccc1O 693484234 DKCPCDODSZFCSF-LBPRGKRZSA-N 324.222 3.427 10 10 DGCE C[C@@H]1C[C@@H](N(C)Cc2c(O)cccc2Br)[C@@H](C)O1 707164262 RKWRAIXRLCFFJG-GIPNMCIBSA-N 314.223 3.152 10 10 DGCE CC[C@H](N[C@@H]1CC[C@@H]1OC)c1cc(Br)ccc1O 724200199 UYXLPVDHCGCUOB-SCRDCRAPSA-N 314.223 3.373 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@H](C3CC3)C2)cc1 777194868 CAEMQXDBHBELCO-IBGZPJMESA-N 324.424 3.345 10 10 DGCE Cc1ccc(C2=CCN(C(=O)c3ccc(C)c(O)c3O)CC2)cn1 781012578 GLEWKHQTNZYBMB-UHFFFAOYSA-N 324.380 3.039 10 10 DGCE CCC[C@](C)(CO)NCc1cc(C)cc(Br)c1O 781631408 JQSLDCUDKKYAGU-CQSZACIVSA-N 316.239 3.104 10 10 DGCE Cc1cc(CC(=O)N2C[C@@H]3CC[C@H](C2)O3)c(C)n1-c1ccccc1 829395927 XHAYDOSXLPUZCJ-KDURUIRLSA-N 324.424 3.026 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCC[C@@H](C)F 840378220 DAYRZNUUVGZJQM-KGLIPLIRSA-N 309.429 3.039 10 10 DGCE Cc1cc(O)c(CN2CC[C@@H]([C@H](O)C(F)(F)F)C2)c(Cl)c1 840951326 WJGASZROOIXABG-RNCFNFMXSA-N 323.742 3.099 10 10 DGCE COc1cccc([C@H](C)N[C@H](c2ccccc2F)[C@H](C)O)c1O 846183454 OKNBCNHSEDDZEW-PRXAMGSTSA-N 319.376 3.313 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@@H]2CCN(C(C)(C)C)C2)cc1 850351008 JTCQYCFTRKUNFB-DKRLNXSXSA-N 301.478 3.228 10 10 DGCE Oc1ccc(Cl)cc1CNCC1(O)CCC(F)(F)CC1 850404902 VJRYQQXFCFYHKR-UHFFFAOYSA-N 305.752 3.076 10 10 DGCE C[C@H](NCc1cnc(C(F)(F)F)nc1)c1cc(F)ccc1O 850485360 GHNUQGZIPGADPL-QMMMGPOBSA-N 315.270 3.191 10 10 DGCE COC[C@@H](CC(C)(C)C)N[C@@H]1CCN(c2ccc(OC)cc2)C1 850485644 AIFVCLFJHVQLAZ-HZPDHXFCSA-N 320.477 3.315 10 10 DGCE COC(=O)c1ccc(O)c([C@H](C)NC[C@@H]2C(C)(C)C2(F)F)c1 850553205 UAFAJBYLDWUHQA-TVQRCGJNSA-N 313.344 3.121 10 10 DGCE C[C@H](N[C@H](c1ccccc1)[C@@H](C)O)c1cc(F)cc(F)c1O 850583623 MSGLHRLTGUIBDV-USBNGQNGSA-N 307.340 3.443 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CC3(CCCO3)C2)c1 862820042 SZWNGRSORJXJNI-UHFFFAOYSA-N 324.424 3.408 10 10 DGCE Cc1ccc(O)c(CNCc2nccc(C)c2Br)c1 865640455 IQLHZWHKRVZJTE-UHFFFAOYSA-N 321.218 3.456 10 10 DGCE CC(C)(C)OC1CCC(NC(=O)NCc2ccccc2O)CC1 868924126 JNNGDFPKQRBOSL-UHFFFAOYSA-N 320.433 3.318 10 10 DGCE O=C([C@H]1C[C@@H]1c1c(F)cccc1F)N1Cc2cccc(O)c2C1 871203368 YXJODSSONOANLV-RYUDHWBXSA-N 315.319 3.316 10 10 DGCE C[C@@H]1C[C@@H](NCCC[C@H]2CCOC2=O)c2c(O)ccc(F)c21 872113215 NNTFIDJNPVIRCA-NTZNESFSSA-N 307.365 3.013 10 10 DGCE CN(C)c1ccc(/C=C\CNCC2(CC(=O)O)CCC2)cc1 903993865 NMECKMDIPJXTHZ-HYXAFXHYSA-N 302.418 3.000 10 10 DGCE CNc1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)cc1F 1136454403 XCHGJTYKBRRIGR-UHFFFAOYSA-N 319.355 3.003 10 10 DGCE CCOC(=O)CCCCN(Cc1ccc(N(C)C)cc1)C1CC1 1190444790 CXAGCEKCDJLDNZ-UHFFFAOYSA-N 318.461 3.450 10 10 DGCE CCN(CC)c1ccc(CN[C@H]2CCC[C@@H]2C(=O)OC)cc1F 1320835708 AWVIFZWBQTYKFZ-HOCLYGCPSA-N 322.424 3.103 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2CC[C@H](C)O2)cc1 1527731996 GWYPOGKVGZETSS-YJBOKZPZSA-N 312.413 3.391 10 10 DGCE Cc1ncccc1/C=C/C(=O)NCc1cc(Cl)ccc1O 1583821057 SMYNNSOZQPFZPV-QPJJXVBHSA-N 302.761 3.079 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC[C@@H]1C=CCC1 1636267983 XBQVIHXAPLDFIF-HZPDHXFCSA-N 315.461 3.257 10 10 DGCE CC(C)(C)Oc1ccc(C(=O)NCc2c(O)cccc2F)nc1 1645048245 MYAFBROWJMMPIJ-UHFFFAOYSA-N 318.348 3.034 10 10 DGCE O=C(CCOc1ccc(Cl)cc1)NCc1c(O)cccc1F 1646028662 KMBGNHINLSFRIY-UHFFFAOYSA-N 323.751 3.270 10 10 DGCE Cc1ccc(C(=O)N[C@@H](C)c2cc3cnccc3o2)c(O)c1O 1650822164 FJXBTBRHNRHTKE-JTQLQIEISA-N 312.325 3.038 10 10 DGCE c1ccn2ncc(CNCCCSc3nccs3)c2c1 1657275303 GQCAKLIWYOGTMU-UHFFFAOYSA-N 304.444 3.063 10 10 DGCE COc1ccc(CNC[C@H](C)NC(=O)/C=C\C(C)(C)C)cc1C 1715971476 VBKMAIGBBLTDEL-KVPUOBJLSA-N 318.461 3.200 10 10 DGCE COc1ccc(CNCC[C@H](C)NC(=O)C2(C)CCC2)cc1C 1716166462 JXQUWUXOZFICKR-HNNXBMFYSA-N 318.461 3.178 10 10 DGCE CN(C(=O)CCNCc1cc(Cl)ccc1O)c1ccccc1 1857853603 IHVOSCLNBWRIMD-UHFFFAOYSA-N 318.804 3.188 10 10 DGCE Cc1ccc(O)c(CNCCC(=O)Nc2ccc(F)cc2F)c1 1857854058 LPCHSPUJSHLKDW-UHFFFAOYSA-N 320.339 3.097 10 10 DGCE COc1ccccc1N1CCN(/N=N/c2ccc(O)cc2)CC1 1860480700 RPNJRYFVGSQJBH-VHEBQXMUSA-N 312.373 3.222 10 10 DGCE CC(C)(C)OC(=O)NC[C@@]12CC[C@@H](CN(CCCN=[N+]=[N-])C1)C2 1897396597 ZCLNRZAENDEGKQ-CJNGLKHVSA-N 323.441 3.314 10 10 DGCE NC1[C@H]2CC[C@H]1CN(c1ccc(OCc3ccccc3)cc1)C2 1899859900 DFJBGFPJMZQPBN-IRXDYDNUSA-N 308.425 3.439 10 10 DGCE [N-]=[N+]=N[C@H](CO)c1cc(Br)c(Br)o1 1951368700 RYFRRIMARBHZDB-SCSAIBSYSA-N 310.933 3.148 10 10 DGCE Cc1ccc([C@H]2C[C@H](N)CCN2C(=O)OC(C)(C)C)c(O)c1 1952149050 PNTHAZJNKFTOHG-TZMCWYRMSA-N 306.406 3.100 10 10 DGCE CCN(CC)c1ccc([C@H](COCc2ccccc2)NN)cc1 1977944473 GMNJUXAMKIARLH-IBGZPJMESA-N 313.445 3.254 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(CCCN=[N+]=[N-])C[C@@H]21 1982246900 APEYWCMKQYJVAK-HZSPNIEDSA-N 323.441 3.312 10 10 DGCE Cc1ccc(CN[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C)c(O)c1 1994456291 JXLJWGUFNKXYLD-ZFWWWQNUSA-N 320.433 3.046 10 10 DGCE C[C@@H]1C[C@@]1(F)CN(C)c1ccc(CN)c(Br)c1 2025731751 RPDKSJWUIXWWSU-NOZJJQNGSA-N 301.203 3.092 10 10 DGCE CCNCc1ccc(N2C[C@H]3C=C[C@H]2C3)cc1Br 2029371085 RBHCDLTXBGPBAH-AAEUAGOBSA-N 307.235 3.323 10 10 DGCE CNCc1ccc(N2CC[C@H](C)[C@@H](F)C2)cc1Br 2034806935 FUNKVLDYPKOOCV-HZMBPMFUSA-N 315.230 3.353 10 10 DGCE CC[C@@H]1CCOC[C@@H]1NCc1cccc(Br)c1O 2035128451 FVWQQTCDMZTCQN-MFKMUULPSA-N 314.223 3.059 10 10 DGCE CN[C@@H](C)c1ccc(N2CC3(F)CC2C3)c(Br)c1 2048730007 HSBXSGGECOPYLP-VOIZVOFFSA-N 313.214 3.420 10 10 DGCE CO[C@@H]1C[C@@H](C)CN(Cc2cccc(Br)c2O)C1 2085098185 OJJCIZXBYAXDLS-ZYHUDNBSSA-N 314.223 3.012 10 10 DGCE CNCc1ccc(N2CC[C@@H]3C[C@@]3(F)C2)c(Br)c1 2222695160 WALSSZDQBJPWGV-BXUZGUMPSA-N 313.214 3.107 10 10 DGCE Oc1c(Br)cc(Cl)cc1CNCC[C@@H]1CCO1 2253189674 UYQIWHIKZTTYEZ-SNVBAGLBSA-N 320.614 3.077 10 10 DGCE CSc1ncc(CNC[C@@H]2CC[C@@H](N)[C@H](C)C2(C)C)s1 2284708630 BVECFUXIPAZCMR-GMXVVIOVSA-N 313.536 3.354 10 10 DGCE Cc1cc(O)c([C@H](C)N(C)C[C@]2(F)CCOC2)cc1Cl 2286446135 XGIFFQRDGLBZQC-XHDPSFHLSA-N 301.789 3.475 10 10 DGCE O=C1C(=Cc2ccccc2)C(C(F)(F)F)=NN1c1ccccn1 2332094503 MSQQGTBBDAKPFJ-UHFFFAOYSA-N 317.270 3.430 10 10 DGCE Cc1ccc(CNC(=O)[C@@H]2CC=CCC2)c(O)c1Br 2352932339 LLGRACYWNPWORK-LLVKDONJSA-N 324.218 3.436 10 10 DGCE CSc1ncc(CN[C@]2(C(=O)O)C[C@@H](C)CC[C@@H]2C)s1 2371804398 LMEOPPPVZVXVFX-PKFCDNJMSA-N 314.476 3.234 10 10 DGCE Nc1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1 36961622 UUUFIOWGGXYMSH-UHFFFAOYSA-N 323.226 3.438 10 10 DGCE CC[C@]1(C)C[C@@H]1C(=O)NC1CCN(c2ccc(OC)cc2)CC1 127402264 QMSZJQXANJZLRI-IEBWSBKVSA-N 316.445 3.216 10 10 DGCE CC[C@H](c1ccccc1O)N1CCN(CC(F)(F)F)CC1 134087257 VAWXGIJVNYOKJB-CYBMUJFWSA-N 302.340 3.023 10 10 DGCE CCN(C)CCN[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 158760509 ZHOGTIOQWMBQDQ-HNNXBMFYSA-N 307.457 3.418 10 10 DGCE COCCNCc1ccc(N(C)[C@H](C)CCSC)c(C)c1 161707442 SCRXUMHWJYIFDM-OAHLLOKOSA-N 310.507 3.309 10 10 DGCE COCCNCc1ccc(N2CCCC2)c(C(F)(F)F)c1 163652113 VIYMUFHTTCUIST-UHFFFAOYSA-N 302.340 3.042 10 10 DGCE CC(=O)N(C(=O)Nc1ccc(F)c(F)c1F)c1ccc(N)cc1 217309083 FACDHFFOQVLEDV-UHFFFAOYSA-N 323.274 3.271 10 10 DGCE Cc1ccc(C2=N/C(=C/c3ccc(N(C)C)cc3)C(=O)N2)cc1C 244258860 WLKBVZZAMVEODF-UHFFFAOYSA-N 319.408 3.287 10 10 DGCE CCOc1ccc(O)c(CN[C@@H]2CCO[C@@H](CC(C)C)C2)c1 271952788 FATGXXDIXAAZMG-WBVHZDCISA-N 307.434 3.474 10 10 DGCE CC(C)(C)OC(=O)N1CCCCCC[C@@H]1[C@@H]1CCCC(=O)C1=O 300830412 CGBBIZJKDWTNRU-UONOGXRCSA-N 323.433 3.495 10 10 DGCE CNCc1ccc(N(C)CCCCOC)c(Br)c1 397355382 PGRGSXMEFHYVFS-UHFFFAOYSA-N 315.255 3.031 10 10 DGCE C[C@H]1C[C@@H](N(C)Cc2c(O)cccc2Br)CCO1 721484340 XUDGEEQBDJUXON-QWRGUYRKSA-N 314.223 3.154 10 10 DGCE C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@H]1CCN 723924565 QIPUMBKSYATIOM-VHSXEESVSA-N 303.233 3.116 10 10 DGCE C[C@@H](NCc1nccn1CC(F)(F)F)c1ccc(F)cc1O 756539535 PVQNJOFJZUOAQW-SECBINFHSA-N 317.286 3.141 10 10 DGCE Cc1ccccc1NC(=S)NCc1ccc(OC(F)F)cn1 773202738 ZJJKRKOMYGYCBH-UHFFFAOYSA-N 323.368 3.478 10 10 DGCE COc1ncc(/C=C\C(=O)N(C)c2cccc3ccccc23)cn1 775812284 FORUPPNHKTVJSE-KHPPLWFESA-N 319.364 3.315 10 10 DGCE CN1CCCc2cc(CNC(=O)NCCC3(F)CCC3)ccc21 806045341 UBYIBQJCOGKYJC-UHFFFAOYSA-N 319.424 3.151 10 10 DGCE C[C@H]1CN(Cc2cc(F)ccc2O)C[C@H](CC(F)(F)F)O1 827787102 MIOJUKQUNMDJQU-CABZTGNLSA-N 307.287 3.073 10 10 DGCE CCOc1cccc(CN2C[C@@]34CCCC[C@]3(COC4)C2)c1O 827849981 KYBMILZTFIEFEP-RTBURBONSA-N 317.429 3.184 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)CC(F)(F)F)c1 837486352 XHFFDQGWDAQOJT-IUCAKERBSA-N 305.296 3.167 10 10 DGCE Cc1ccc(CN(CC2CC2)C(=O)Nc2ccc(N)cc2)cn1 843043322 OMHYPWSQTFCGMQ-UHFFFAOYSA-N 310.401 3.416 10 10 DGCE CCN(CC)c1ccc(CN2CCO[C@]3(CCSC3)C2)cc1 843418420 SWLXVZVCBSZZTG-GOSISDBHSA-N 320.502 3.241 10 10 DGCE C[C@]1(CCNCc2cc([N+](=O)[O-])ccc2O)C[C@]1(F)Cl 846039116 UEZFOZWJTKXTKQ-QWHCGFSZSA-N 302.733 3.095 10 10 DGCE COC[C@@H](CC(C)(C)C)N[C@H](C)c1cc([N+](=O)[O-])ccc1O 848564918 RWVJVUIAJQLREW-VXGBXAGGSA-N 310.394 3.402 10 10 DGCE COc1cc(CNCC[C@@H]2CCOC2)c(O)c(C(C)(C)C)c1 850245899 UGVJAGZNJPPIPR-CYBMUJFWSA-N 307.434 3.215 10 10 DGCE Cc1ccc([C@@H](C)NC[C@]23OCCC[C@H]2C3(F)F)c(O)c1C 850533142 RGCPTBJQMZIAQH-XPKDYRNWSA-N 311.372 3.474 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H](CCF)C1 853749274 NVMBDINISDQVIU-HNNXBMFYSA-N 321.440 3.342 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H]3COC[C@H]3C2)cc1 856152886 HUKFYZMYHADLPG-QZTJIDSGSA-N 324.424 3.203 10 10 DGCE Cc1ccc(O)c(CNC(=O)N[C@H](C)C2CCC(F)CC2)c1 858620380 XYPVRIFKRHSCSP-DNOWBOINSA-N 308.397 3.417 10 10 DGCE O=C(N[C@@H]1[C@@H]2Cc3c(Cl)cccc3[C@@H]21)c1cc(O)cs1 863049528 JGDPDGINUSIAGY-DDTOSNHZSA-N 305.786 3.175 10 10 DGCE Cc1cc(C)c([C@@H](C)NC[C@@H]2CC3(CCOCC3)CO2)c(O)c1 866530362 AAPWFSTUYZZIEK-CVEARBPZSA-N 319.445 3.245 10 10 DGCE C/C=C\COc1cccc(CC(=O)N2Cc3cccc(O)c3C2)c1 871205575 VLHHSGVSMBKYHQ-IHWYPQMZSA-N 323.392 3.432 10 10 DGCE CCN(C)c1ccc([C@@H](C)NCCC[C@@H]2CCOC2=O)cc1 872117353 OUDXMRKTYUWDKI-GDBMZVCRSA-N 304.434 3.137 10 10 DGCE C[C@H](N[C@@H]1CCN(C)[C@H]1C)c1cccc(C(F)(F)F)c1O 903301269 PETLODFUGRKBOU-OUJBWJOFSA-N 302.340 3.154 10 10 DGCE C[C@H](NC[C@@H]1CNCCC1(F)F)c1cc2c(cc1O)CCCC2 925780800 GZLCINGRXBCCJU-WFASDCNBSA-N 324.415 3.166 10 10 DGCE COC(=O)/C=C\c1ccc(N(C)[C@@H](C)C2CC2)c([N+](=O)[O-])c1 931454113 QUNDFIWRUGLCRG-GWZUUTHWSA-N 304.346 3.016 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2cccc(-n3ccc(C)n3)c2)c1 1301047146 RXILQZSXDLMXGX-UHFFFAOYSA-N 321.380 3.125 10 10 DGCE CCc1ccc(C(=O)NCc2cc(C)ccc2O)cc1[N+](=O)[O-] 1453648520 JMIYVUOBRTVJFZ-UHFFFAOYSA-N 314.341 3.101 10 10 DGCE O=C(NCc1c(O)ccc2ccccc12)[C@H]1CCCCS1 1456306925 AUAJNJCAGPGGKS-MRXNPFEDSA-N 301.411 3.447 10 10 DGCE C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@H]1CC2CCC1CC2 1557324078 JMDFIUZWDFCBAY-OQJCZSEQSA-N 315.413 3.442 10 10 DGCE C[C@H](NC(=O)c1n[nH]c2ccc(Cl)cc12)c1ccccc1O 1587451031 FQYSNMQQPOHZKS-VIFPVBQESA-N 315.760 3.413 10 10 DGCE Cc1cc(F)cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1N 1628793295 GKTDUFMNOIUEHW-UHFFFAOYSA-N 315.392 3.055 10 10 DGCE CCOc1ccc(N2CCN(C[C@H](COC)C(C)C)CC2)cc1 1644993699 PQNWRCFIOWIAJT-QGZVFWFLSA-N 320.477 3.126 10 10 DGCE Cc1ccccc1-n1c(C)cc(C(=O)Nc2[nH]nnc2C)c1C 1647864853 BBKXWOXICALZCJ-UHFFFAOYSA-N 309.373 3.081 10 10 DGCE Cc1nn(-c2ccccc2)cc1C(=O)N[C@@H](C)c1ccccc1O 1648892411 ZVWJHQZUUSMDOX-ZDUSSCGKSA-N 321.380 3.377 10 10 DGCE CCOc1ccc(N(CC2CC2)C[C@@H]2C[C@@H]3COC[C@H]3O2)cc1 1654518156 HXPGHTSCZZVPJW-AYOQOUSVSA-N 317.429 3.106 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1CC[C@H](C)C1 1673745512 VPBGJFBUOPFBBV-JLJPHGGASA-N 317.477 3.480 10 10 DGCE CCCOC(=O)c1ccc(NN=NCCN(CC)CC)cc1 1860489401 LBQNUEIZIAEIHV-UHFFFAOYSA-N 306.410 3.374 10 10 DGCE Cc1nc(Br)cc(N(C)[C@H](C)c2ccccc2O)n1 1877544428 DVBWZUWDCCCNNC-SECBINFHSA-N 322.206 3.451 10 10 DGCE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1nccs1 1889892823 AGKOJZOUWMKZRH-ZFWWWQNUSA-N 313.426 3.062 10 10 DGCE CC[C@](C)(O)CN(Cc1ccccc1)c1ccc(CN)cc1F 1915167435 VWZPGESHBVSOOZ-IBGZPJMESA-N 316.420 3.452 10 10 DGCE OCc1ccc(N2CC[C@@H](CC(F)F)C2)cc1Br 1916725711 XLRYHXUZNDPXIH-VIFPVBQESA-N 320.177 3.423 10 10 DGCE C[C@@H](N)c1ccc(N(C)C2CSC2)cc1Br 1936308810 RHRWLALJAUYKQF-MRVPVSSYSA-N 301.253 3.020 10 10 DGCE CN[C@@H](c1ccccc1O)C12CC(CN1C(=O)OC(C)(C)C)C2 1936984205 URCRBNBXABPVHG-KVIBHRHWSA-N 318.417 3.052 10 10 DGCE C[C@H](N)c1ccc(N2C[C@@H](C)[C@@H](F)C2)c(Br)c1 1947339293 HZTNPZXGUGCKPY-PTRXPTGYSA-N 301.203 3.263 10 10 DGCE CC(C)(C)OC(=O)N1CCC(=O)C[C@H]1c1cccc(F)c1O 1952068329 CHJILMPTDRQUFD-ZDUSSCGKSA-N 309.337 3.172 10 10 DGCE Cc1cc(O)c([C@@H]2C[C@@H](N)CCN2C(=O)OC(C)(C)C)cc1C 1952972103 GPXZBAKCIFPOAR-ZFWWWQNUSA-N 320.433 3.408 10 10 DGCE CC(C)(C)OC(=O)NCC1(CCNc2ccc(N)cc2)CC1 1959368317 SURDNJJLCJYUOV-UHFFFAOYSA-N 305.422 3.376 10 10 DGCE C[C@@H](NCc1cc(Br)cc(F)c1O)c1ccon1 1965948302 XCBDVDRKBNHNJA-SSDOTTSWSA-N 315.142 3.133 10 10 DGCE Oc1cccc(F)c1CNCc1nccn1Cc1ccccc1 1976860794 NHYIXWPCSSOZEH-UHFFFAOYSA-N 311.360 3.066 10 10 DGCE Cc1cccc(O)c1CN[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 1976877718 SRRNILSVWWBZOD-AEFFLSMTSA-N 310.441 3.453 10 10 DGCE OCc1ccc(N2CCCC[C@H]2CF)c(Br)c1 2004451369 LIXBHESXIBTAJC-NSHDSACASA-N 302.187 3.270 10 10 DGCE Cc1sc(Br)nc1CN(C)c1ccc(N)cc1 2004976745 RCJBFXCGCWHVDR-UHFFFAOYSA-N 312.236 3.433 10 10 DGCE Nc1ccc(OCCCN2CC=C(Br)CC2)cc1 2031538058 WLNRDWSBEFUWSZ-UHFFFAOYSA-N 311.223 3.022 10 10 DGCE C[C@@H]1CO[C@H](CN(C)Cc2cc(Br)ccc2O)C1 2047506295 MEWPFWIJXDMLSM-GWCFXTLKSA-N 314.223 3.012 10 10 DGCE CNCc1ccc(N(C)Cc2ccc(Br)o2)cc1 2050631773 YNAOEDXQBBNBJB-UHFFFAOYSA-N 309.207 3.398 10 10 DGCE CCc1nn(Cc2ccc(C)cc2O)c(C(F)(F)F)c1CO 2078897137 ZKEQONJUEIBOAA-UHFFFAOYSA-N 314.307 3.019 10 10 DGCE CC1(c2nn(Cc3cc(F)ccc3O)c(N)c2C(F)F)CC1 2079718168 OYSIATRQNLTDDB-UHFFFAOYSA-N 311.307 3.347 10 10 DGCE CN1C[C@@H]2CC[C@H](Nc3c(N)cccc3Br)C[C@H]2C1 2089103303 HJRUNQGBKIZODQ-SRVKXCTJSA-N 324.266 3.174 10 10 DGCE Cc1cc([C@@H](O)c2ccc3c(c2)CCN3C)oc1Br 2106794503 XOYKGDZKYGAGFM-AWEZNQCLSA-N 322.202 3.425 10 10 DGCE C[C@H](N)c1cc(F)c(N(C)C[C@H](F)C(F)(F)F)c(F)c1 2194701942 JAMQHIDTLBZTFA-WKEGUHRASA-N 300.246 3.321 10 10 DGCE O=C(C=Cc1cccnc1)N1CCOc2ccc(Cl)cc21 2297669787 TWAHLNOFFCSXKD-UHFFFAOYSA-N 300.745 3.174 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)cc1Br 2308716678 AGOHZSALKXPWCT-SVUUNPHSSA-N 308.219 3.347 10 10 DGCE CCOc1c(C=C2SC(=S)N(CC)C2=O)cccc1OC 2313670546 FFMFARSNJRMDEZ-UHFFFAOYSA-N 323.439 3.315 10 10 DGCE COCCN(c1ccc([C@@H](C)N)cc1Br)C1CC1 61697144 KYRONJOLCFQDHY-SNVBAGLBSA-N 313.239 3.084 10 10 DGCE FC(F)(F)Oc1ccc(N2CC[C@@H](CNC3CC3)C2)cc1 53010776 WLCXYZWMHWFQMQ-NSHDSACASA-N 300.324 3.164 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@]1(C)CC1(Cl)Cl 72748041 BZTFIWCEVJQAOR-AWEZNQCLSA-N 315.244 3.295 10 10 DGCE CNC1CCC(N(C)Cc2cc(Cl)cc(OC)c2O)CC1 229104370 ZHLLRMQHRWBKPU-UHFFFAOYSA-N 312.841 3.017 10 10 DGCE C[C@H]1c2ccsc2CCN1C(=O)CCc1ccc(N)cc1 40337478 KWEWLIVBYXREEI-LBPRGKRZSA-N 300.427 3.409 10 10 DGCE C[C@@H](NCCN(C)c1ccccc1)c1ccc(F)c(F)c1O 191194668 OXDOVVZZSTXHMD-GFCCVEGCSA-N 306.356 3.457 10 10 DGCE Cc1cc(Br)cc(CN2[C@@H](C)COC[C@@H]2C)c1O 180397083 AZZLFXKVPLKBPB-QWRGUYRKSA-N 314.223 3.072 10 10 DGCE Nc1ccc(OC[C@H](O)CSc2ccccc2Cl)cc1 51328288 QGMLFBAJSCDMKP-LBPRGKRZSA-N 309.818 3.454 10 10 DGCE CCCOc1ccc(CN2CCC(c3cc[nH]n3)CC2)c(O)c1 92810926 VUCMAWPTLYMBBV-UHFFFAOYSA-N 315.417 3.284 10 10 DGCE CCN[C@@H](C)c1ccc(N(C)C[C@H]2CCN(C)C2)c(Cl)c1 250305694 RKPOYCQUGBXVEA-KBPBESRZSA-N 309.885 3.398 10 10 DGCE Cc1ccc(O)c(CN2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1 271255741 FZBXUXOYATZZOW-CQSZACIVSA-N 312.417 3.076 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)c2csc(C(F)(F)F)n2)C1 2165238465 GUDCVZRTMQQUOB-ZCFIWIBFSA-N 305.285 3.077 10 10 DGCE CC(C)c1nnc(CN2CCOc3cc(N(C)C)ccc32)s1 295039877 WQHKXNQGNUXZNF-UHFFFAOYSA-N 318.446 3.127 10 10 DGCE CSc1ccc([C@@H](O)[C@@H](N)c2ccc(N(C)C)cc2)s1 2163144691 NUUNVWAMEXLKPP-LSDHHAIUSA-N 308.472 3.269 10 10 DGCE COc1ccc(O)c([C@H](C)NCc2ccc([C@@H](C)N)cc2)c1 817963815 VRECOSXHLSEVFL-OLZOCXBDSA-N 300.402 3.271 10 10 DGCE C[C@@H](NC(=O)c1ccncc1Br)c1ccccc1O 1151886058 SVXLZDUHJSFPPC-SECBINFHSA-N 321.174 3.041 10 10 DGCE COc1cc(O)c(CNC[C@@H]2CC23CCSCC3)cc1OC 817410328 LBNDPXBWEMQLQX-ZDUSSCGKSA-N 323.458 3.032 10 10 DGCE C[C@H](N[C@@H]1CCN(C)[C@@H]1C)c1ccc(N2CCCCC2)cc1 903303378 QBCJQYWRZVCZQD-FRQCXROJSA-N 301.478 3.420 10 10 DGCE O=C(/C=C/c1cnccn1)N1CCCSc2ccc(F)cc21 491990538 KZCXLTGQLINTNY-HWKANZROSA-N 315.373 3.158 10 10 DGCE CN(C)C[C@@H](Cc1ccccc1)N[C@@H]1CCc2cccc(O)c21 834527091 VEGFWCBHRTYRSW-QZTJIDSGSA-N 310.441 3.142 10 10 DGCE Cc1ccc(O)c(CNC(=O)N[C@@H]2C[C@@]2(F)c2ccccc2)c1 858554809 SPKHOKHMPDIPAV-SJLPKXTDSA-N 314.360 3.137 10 10 DGCE Cc1ccc(C(=O)Nc2cc(C)n([C@@H](C)C3CC3)n2)c(O)c1O 752820396 MALBPKLBRUGKDY-NSHDSACASA-N 315.373 3.134 10 10 DGCE COc1ccc2ccc(O)c(CN3C[C@@H]4COC[C@@]4(C)C3)c2c1 853567103 SYBGUUKHKPWYGG-AUUYWEPGSA-N 313.397 3.022 10 10 DGCE CCOC(=O)C1=CC[C@@H](N[C@@H](C)c2ccc(Cl)cc2O)C1 858508359 MYYYXYHXWLLBBS-GXFFZTMASA-N 309.793 3.348 10 10 DGCE CC(C)[C@@H]1CC[C@H]1NCc1ccc(N2CCC(O)CC2)cc1 850567968 MXIUSVJEZKAUJF-RBUKOAKNSA-N 302.462 3.172 10 10 DGCE CN(Cc1cc(Cl)cc(Cl)c1O)[C@@H]1CCN(C2CC2)C1 769325892 CKVBCYGKJZZZPK-CYBMUJFWSA-N 315.244 3.368 10 10 DGCE CCCCN(CC)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] 931279484 DCTMCHISIWKYRE-NTMALXAHSA-N 306.362 3.407 10 10 DGCE Oc1ccc(Cl)c(F)c1CN[C@@H](C1CCC1)[C@H]1CCOC1 865761850 IMXQTYILNRNIRN-ZBEGNZNMSA-N 313.800 3.480 10 10 DGCE Cc1c([C@@H](N)CO)cc(Cl)c(N2CCCCC2)c1Cl 72199786 QXDUUVFZTMGWTI-LBPRGKRZSA-N 303.233 3.284 10 10 DGCE CC[C@@H]1C[C@@H](C(=O)NCc2c(O)ccc3ccccc23)CCO1 1558554031 HRPWRRFTMPKUMQ-LSDHHAIUSA-N 313.397 3.367 10 10 DGCE COc1ccc(O)c([C@H](C)NC[C@@H]2c3ccccc3CN2C)c1 866564360 SYDVHRXLTBABPE-SCLBCKFNSA-N 312.413 3.238 10 10 DGCE CC[S@@](=O)CCN[C@H](C)c1ccc(N2CCCCC2)cc1 765935492 GGWKHRUZTXWTAY-QVKFZJNVSA-N 308.491 3.096 10 10 DGCE O=C1N[C@H](c2cc(Cl)cc(F)c2O)Nc2cc(F)ccc21 768266626 WZWWOSJNDVNJNU-CYBMUJFWSA-N 310.687 3.178 10 10 DGCE CN(C)c1ccc([C@@H](O)C(C)(C)NC(=O)OC(C)(C)C)cc1 1959572321 XFNIVDUWZJEYQX-CQSZACIVSA-N 308.422 3.089 10 10 DGCE Cc1nc2ccc(C(=O)N[C@@H](C)c3ccccc3O)cc2n1C 1151891821 ADKMVINIIQYSBS-NSHDSACASA-N 309.369 3.078 10 10 DGCE C[C@H]1[C@H](C)CC[C@H](CNC(=O)OC(C)(C)C)N1CCN=[N+]=[N-] 1962304410 MXPNRQLBRFOLKO-FRRDWIJNSA-N 311.430 3.310 10 10 DGCE O=C(NCc1c(O)cccc1F)c1cccc(-c2cnco2)c1 1178413668 VSCRMALDGOACOB-UHFFFAOYSA-N 312.300 3.116 10 10 DGCE Cc1cccc(-n2c(C)cc(C(=O)NCc3cnccn3)c2C)c1 1180915769 WNDOUCTTYKQTPP-UHFFFAOYSA-N 320.396 3.123 10 10 DGCE Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCCC[C@@H]1CCOC1=O 1332276935 LAFBRSBDCOSMFN-MCIONIFRSA-N 303.402 3.182 10 10 DGCE CCCN[C@]1(CO)C[C@@H](Sc2nccs2)CC[C@H]1C 2119121003 PQGDCMHHTHBNDY-DYEKYZERSA-N 300.493 3.155 10 10 DGCE CCO[C@@H](C)C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C 1531612324 PQNNCOZTHNMLEJ-INIZCTEOSA-N 314.429 3.444 10 10 DGCE COc1ccc(CNC(=O)/C=C(/C)c2cccs2)c(O)c1 1467471397 YKCXRASRTBWIJN-FLIBITNWSA-N 303.383 3.182 10 10 DGCE Oc1ccc(O)c(CNc2ccnc(Cc3ccccc3)n2)c1 1612844397 KLDPYCJANCHONC-UHFFFAOYSA-N 307.353 3.091 10 10 DGCE C[C@H](NC(=O)c1cnc(-c2ccccc2)nc1)c1ccccc1O 1557968199 SWDSELVSJPEQSF-ZDUSSCGKSA-N 319.364 3.340 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CC[C@H]3[C@@H](C2)C3(F)F)c1O 1559665906 UGBDQWBEJWXWFC-QWHCGFSZSA-N 315.747 3.335 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N1CCC(c2ccsc2)CC1 1638898466 HICIATOJCLLUNP-UHFFFAOYSA-N 317.410 3.108 10 10 DGCE CC(C)(C)C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C(F)(F)F 1632939311 BQVPOLJURATOLU-GFCCVEGCSA-N 319.323 3.124 10 10 DGCE Cc1ccc(O)c(CNC(=O)CCc2cc(F)ccc2F)c1 1640796672 KLMMNUFBSAFQSB-UHFFFAOYSA-N 305.324 3.228 10 10 DGCE CCOc1ccc(N2CCN(CCOCC3CCC3)CC2)cc1 1642353842 FNQNJGYGQWJJLQ-UHFFFAOYSA-N 318.461 3.024 10 10 DGCE O=C(CCCc1c[nH]c2ccccc12)NCc1cccc(O)c1O 1643809408 MSOOCISIIRTALI-UHFFFAOYSA-N 324.380 3.218 10 10 DGCE Oc1cccc(Br)c1CNCC(F)(F)C1CC1 1912544340 YNBUMVVFPSHCAY-UHFFFAOYSA-N 306.150 3.290 10 10 DGCE C[C@H]1CC(CNC(=O)/C=C\c2ccc(O)c(O)c2)C[C@H](C)C1 1641082271 HUWLIVGJGBWJEP-FSMZVQOTSA-N 303.402 3.300 10 10 DGCE CCCCN(CC[S@](=O)C(F)(F)F)Cc1ccccc1O 1658434186 UCODXEAXRBBDGA-NRFANRHFSA-N 323.380 3.263 10 10 DGCE COC(=O)c1cnc(Sc2ncnc3c(F)cccc23)s1 1651096020 KCCBWNOFVICJDR-UHFFFAOYSA-N 321.358 3.163 10 10 DGCE O=C(NCc1c(O)cccc1F)c1cc2ccncc2s1 1596912276 NNUAUNABRLBYKU-UHFFFAOYSA-N 302.330 3.071 10 10 DGCE O=C(O)C=Cc1ccc(N2CC3(CC3)C2)cc1Br 1914641485 DMGAZPDUMHIVBO-UHFFFAOYSA-N 308.175 3.147 10 10 DGCE Cc1cc(C(=O)NC2(CO)CC2)c(C)n1-c1ccc(Cl)cc1 160308862 JLZMVUQKXJJGCP-UHFFFAOYSA-N 318.804 3.002 10 10 DGCE COC(=O)[C@@H]1CCCN(Cc2cc(C(C)C)c(C)cc2O)C1 151648778 QJLOOLYWSBCSHZ-CQSZACIVSA-N 305.418 3.209 10 10 DGCE CCN1C(=O)/C(=C\c2c(C)nc3scc(C)n23)SC1=S 1858586730 IQWAGWPFZDMFCD-BJMVGYQFSA-N 323.468 3.234 10 10 DGCE CSc1cccc(NC(=O)[C@@H](C)Oc2ccc(N)cc2)c1 1860078315 MDIXEUSJYFNBNF-LLVKDONJSA-N 302.399 3.397 10 10 DGCE CN1C(=O)COc2cc(NN=NCc3ccccc3F)ccc21 1860493916 IEDHMSFOCQIXCV-UHFFFAOYSA-N 314.320 3.160 10 10 DGCE CN(C)c1ccc2c(c1)CN(C(=O)CCC1CCCC1)CCO2 827968113 WMBVHADNABGKJY-UHFFFAOYSA-N 316.445 3.444 10 10 DGCE CN[C@H](C[C@@H](C)N(C)C(=O)OC(C)(C)C)c1ccccc1O 1925319831 VCODLFMVOJIRBX-TZMCWYRMSA-N 308.422 3.298 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([C@H](N)c2ccccc2O)C1 1936970218 JVJXENIRFLBUFT-ZENOOKHLSA-N 320.433 3.476 10 10 DGCE CNCc1ccc(N(C)Cc2ccccn2)c(Br)c1 234408683 WJQWTJCKPZIHML-UHFFFAOYSA-N 320.234 3.200 10 10 DGCE CCC[C@@H]1CCN1c1ccc(CN)c(Br)c1F 1941303614 IZOKIBNMYCAONY-SNVBAGLBSA-N 301.203 3.426 10 10 DGCE C[C@H]1SCCS[C@@H]1c1noc(-c2ccc(O)c(O)c2)n1 235636478 UXFZGWRCDQPDAB-HQJQHLMTSA-N 310.400 3.057 10 10 DGCE COc1cc(Br)cc([C@@H]2NCCCC2(F)F)c1O 1952954762 OSPUAPCPYUHFQS-NSHDSACASA-N 322.149 3.223 10 10 DGCE CN(C)c1ccc([C@H](N)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 1977944496 GPVDHIUCFAEKQO-ZBFHGGJFSA-N 319.449 3.009 10 10 DGCE C[C@H](CC[C@@H](O)c1ccc(N(C)C)cc1)NC(=O)OC(C)(C)C 1977939968 UJJFKTIOLLUOBI-CZUORRHYSA-N 322.449 3.479 10 10 DGCE C[C@H](O)c1ccc(N2CCOC[C@@H]2C(F)(F)F)c(Cl)c1 2150362553 MVKMYPMVHIWSGF-QPUJVOFHSA-N 309.715 3.161 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN=[N+]=[N-] 1982245368 GRZJLTMDKRZNGY-BTTYYORXSA-N 323.441 3.455 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(COc2ccc(N)cc2)C1 1992516079 WNGVBJMHCUWPCT-UGSOOPFHSA-N 318.417 3.295 10 10 DGCE Cc1ccc(CN[C@@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)c(O)c1 1994456429 LRMUUKPVUWFIHL-DZGCQCFKSA-N 320.433 3.188 10 10 DGCE CSCC1(C)CN(c2ccc(CO)c(Br)c2)C1 2011575451 CVJPAZRHCMUFDY-UHFFFAOYSA-N 316.264 3.131 10 10 DGCE CC1(F)CC(CNCc2ccc(Br)cc2O)C1 2013177847 UGEHVQIFTLZVJU-UHFFFAOYSA-N 302.187 3.383 10 10 DGCE C[C@@H]1[C@H](CN(C)c2ccc(CO)c(Br)c2)C1(F)F 2036079617 VGZSKFRPCXLZCB-KCJUWKMLSA-N 320.177 3.279 10 10 DGCE C[C@@H]1C[C@H](N(C)c2ccc([C@@H](C)N)cc2Br)CO1 401573330 MUTMSMBGWFOKDG-FOGDFJRCSA-N 313.239 3.082 10 10 DGCE NCc1cc(F)c(N2CCC=C(Cl)C2)cc1Br 404420002 IDMBPPJYAFEWBF-UHFFFAOYSA-N 319.605 3.380 10 10 DGCE Cc1nc2[nH]c(-c3cccc(O)c3O)nc2cc1Br 404635653 HZUDEKSYVSUYRJ-UHFFFAOYSA-N 320.146 3.107 10 10 DGCE CS[C@@H]1CCN(c2ccc([C@H](C)N)cc2Br)C1 382928585 FCHSIYRNONHBKT-GXSJLCMTSA-N 315.280 3.411 10 10 DGCE CC1(NCc2c(O)cccc2Br)CC(F)(F)C1 720934077 CGTCDNHAQULMIR-UHFFFAOYSA-N 306.150 3.432 10 10 DGCE CN[C@H](C)c1ccc(N(C)[C@H](CCO)C(F)F)cc1Cl 2178502334 YLIJRYHKLCDZAP-NOZJJQNGSA-N 306.784 3.073 10 10 DGCE CCc1nn(Cc2cc(C)ccc2O)c(C(F)F)c1[N+](=O)[O-] 2079042754 PQGRCUKCXZWFSL-UHFFFAOYSA-N 311.288 3.354 10 10 DGCE [N-]=[N+]=NCCCN(CCCN)c1cccc(Br)c1 2054254242 YTDZOXDVASNXBJ-UHFFFAOYSA-N 312.215 3.305 10 10 DGCE CCN[C@](CSc1nccs1)(C[C@H](C)CC)C(=O)OC 2207919171 ZUMCVDLCHNITFO-RISCZKNCSA-N 316.492 3.193 10 10 DGCE CCOC(=O)[C@]1(N)CCCC[C@H]1CCSc1nccs1 2288732648 BOUUKMBFZNXMQC-FZMZJTMJSA-N 314.476 3.076 10 10 DGCE CCOC(=O)[C@]1(N)CCCC[C@@H]1CCSc1nccs1 2288732649 BOUUKMBFZNXMQC-RISCZKNCSA-N 314.476 3.076 10 10 DGCE CC[C@@H](N[C@@H]1CC[C@H]1OC)c1cc(Br)ccc1O 2312072086 UYXLPVDHCGCUOB-YRGRVCCFSA-N 314.223 3.373 10 10 DGCE CN(C[C@H]1CCC1(F)F)c1ccc(CO)c(Br)c1 2313738002 WIGYMMQIASZTSR-SNVBAGLBSA-N 320.177 3.423 10 10 DGCE CC(C)[C@H](O)C(C)(C)NCc1cccc(Br)c1O 2318068134 MZONTMTXEWBODL-ZDUSSCGKSA-N 316.239 3.040 10 10 DGCE C[C@@H](Nc1cc(C(N)=O)ccc1Cl)c1cc(O)ccc1O 36943364 IOPWBGJCSKMWLD-MRVPVSSYSA-N 306.749 3.023 10 10 DGCE CN(C[C@H]1CCCCO1)c1ccc(CN)c(C(F)(F)F)c1 48946604 NMTLXXZCERIGRL-CYBMUJFWSA-N 302.340 3.169 10 10 DGCE CC(C)c1nc2c(n1C)CCN(Cc1cc(Cl)ccc1O)C2 123311249 MSOJFBGYPWMAJC-UHFFFAOYSA-N 319.836 3.461 10 10 DGCE CC(=O)CCN(C)C(=O)c1cc(C)n(-c2cccc(C)c2)c1C 135577701 DYNJNZWUMURUFB-UHFFFAOYSA-N 312.413 3.454 10 10 DGCE CCOc1cc(/C=C/C(=O)Nc2ccc(N)cc2)ccc1OC 160410736 PNACVMFJYSHDAW-VZUCSPMQSA-N 312.369 3.328 10 10 DGCE CCN(c1ccc(CNC)cc1C(F)(F)F)[C@@H](C)COC 163704239 CHOMNNFLYCXJLL-NSHDSACASA-N 304.356 3.286 10 10 DGCE CN(C)C[C@H]1CCCN1c1ccc(CNC2CC2)cc1Cl 164053824 PJBMTSAFJWOHJG-OAHLLOKOSA-N 307.869 3.122 10 10 DGCE CC(C)(C)OC(=O)NC[C@H]1CCCCN1Cc1ccccc1O 179564136 IIIZEJDNCIWXCU-OAHLLOKOSA-N 320.433 3.271 10 10 DGCE CCCN(c1ccc(CN)cc1)C1CCC(C(=O)OCC)CC1 194977347 IELPINJCINAVPI-UHFFFAOYSA-N 318.461 3.484 10 10 DGCE CCN(CCN[C@@H](C)c1c(O)cccc1O)C(=O)OC(C)(C)C 233438767 HNCUNFXBRHKDOJ-LBPRGKRZSA-N 324.421 3.005 10 10 DGCE CN[C@@H](C)c1ccc(N(C)[C@@H](C)COC)cc1Br 234407602 AIALEUCIHSIKMI-QWRGUYRKSA-N 315.255 3.201 10 10 DGCE O=C(NCc1ccc(N2CCCC2)cc1)C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 246479473 NCAUGPXFALVZCP-LAQRGFTBSA-N 310.441 3.195 10 10 DGCE COC[C@H](C)N(C)[C@H](C)c1cc(Br)ccc1O 250966865 CJLDNXTZJLLMSK-VHSXEESVSA-N 302.212 3.182 10 10 DGCE CCN(C(=O)/C=C/c1cnccn1)c1ccc(Cl)cc1F 493625237 IDXGBKWJCHTRGX-GQCTYLIASA-N 305.740 3.335 10 10 DGCE CCc1cccc(CC(=O)N2CCOc3cc(N(C)C)ccc32)c1 507983094 FKADPWBDYCJLGO-UHFFFAOYSA-N 324.424 3.283 10 10 DGCE C[C@H](O)c1ccc(N2CC(OCC(F)(F)F)C2)c(Cl)c1 687911010 BOSLPCFMCDENNK-QMMMGPOBSA-N 309.715 3.161 10 10 DGCE C[C@H](N)c1ccc(N2CCO[C@@H](C(F)(F)F)C2)c(Cl)c1 698816192 YTKXJALACPRFJL-QPUJVOFHSA-N 308.731 3.127 10 10 DGCE CCCN(CCC)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] 733186015 BFRKCEDXCONFNY-CLFYSBASSA-N 306.362 3.407 10 10 DGCE COc1ccc(NCc2cc(Br)ccc2O)nc1 769406025 KAOWTNKKKVJOPN-UHFFFAOYSA-N 309.163 3.170 10 10 DGCE Cc1ccncc1CN(C)Cc1cccc(Br)c1O 793335817 HZYKZSAEWJMLTI-UHFFFAOYSA-N 321.218 3.490 10 10 DGCE Cn1nccc1C1=CCN(Cc2cc3c(cc2O)CCCC3)CC1 795656585 MCQAWCFNMQZABW-UHFFFAOYSA-N 323.440 3.294 10 10 DGCE C[C@@H](NCCc1cnn(C)c1)c1cccc(C(F)(F)F)c1O 815562237 ADLYFFPUEIKDSU-SNVBAGLBSA-N 313.323 3.038 10 10 DGCE Cc1cc(Cl)cc([C@@H](C)N[C@H]2CNCCC2(F)F)c1O 817981881 WNAWLRVPZWIJMZ-SKDRFNHKSA-N 304.768 3.002 10 10 DGCE Cc1ccc(O)c(CN2CCN(CC(F)(F)F)C[C@@H](C)C2)c1 825124439 PYZSKMABPKZCIG-ZDUSSCGKSA-N 316.367 3.017 10 10 DGCE CO[C@H](C(=O)NCc1c(O)ccc2c1CCCC2)C1CCCC1 830559526 QDAVEWIJWTXBTR-SFHVURJKSA-N 317.429 3.092 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@H]2CCCc3c2cnn3C)cc1 835036391 PBGNKMOZLPTHEP-XFHJGTJQSA-N 310.445 3.167 10 10 DGCE CC(C)[C@H]1CN(C)CCN1C/C=C\c1ccc(N(C)C)cc1 835045564 WKDMWQGBZXBQDL-LIXSYLKWSA-N 301.478 3.038 10 10 DGCE CN(C)c1ccc(/C=C\CN[C@@H](CCO)c2ccco2)cc1 835046452 JTBKKDNCQBHTLN-IVZVJUQRSA-N 300.402 3.072 10 10 DGCE Cc1cc(O)c(CN2CC[C@@H](c3nccn3C)C2)c(Cl)c1 840949136 RCPDMWBLLUBTHQ-GFCCVEGCSA-N 305.809 3.077 10 10 DGCE NC[C@H]1c2ccccc2CCN1Cc1c(O)ccc(Cl)c1F 843128770 LJVZQTVTAQXCBY-HNNXBMFYSA-N 320.795 3.243 10 10 DGCE COc1ccc(O)c([C@@H](C)N[C@H](C2CCOCC2)C2CC2)c1 846043290 WRTWBSPVSGCKPS-XIKOKIGWSA-N 305.418 3.257 10 10 DGCE C[C@H](NC[C@]1(CO)CCc2ccccc21)c1ccc(F)cc1O 846177315 AAKDTNCQUSDXOZ-DJJJIMSYSA-N 315.388 3.058 10 10 DGCE COc1cccc(CNC(=O)c2oc(C(F)F)cc2C)c1O 860240657 JRLRTLNFMJOPBN-UHFFFAOYSA-N 311.284 3.170 10 10 DGCE Cc1ccc(O)c(CNC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)c1 862759487 DUYSLOHFXVBEOE-ZIAGYGMSSA-N 317.335 3.399 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCc3nc[nH]c3C23CCC3)cc1 895069132 RDRCMWDNCKFCQW-HYXAFXHYSA-N 322.456 3.426 10 10 DGCE CC(C)(CNC(=O)c1ccc(N=NC(N)=O)cc1)CC(F)F 899203038 DZGVIOQPMNIFAD-UHFFFAOYSA-N 312.320 3.260 10 10 DGCE Oc1c(F)cc(Cl)cc1CN1CCCC[C@@]2(CCNC2)C1 903959254 DAFSPXFNXABOTC-INIZCTEOSA-N 312.816 3.150 10 10 DGCE Cc1ccc(C(=O)N2CCc3ccsc3[C@@H]2C)c(O)c1O 921510475 WMVSRFQQXWDIQS-JTQLQIEISA-N 303.383 3.227 10 10 DGCE CC[C@H](C)C(=O)Nc1ccc(O)c(CNC(=O)[C@H](C)CC)c1 923125288 BWLMCKOAKLBOTJ-NEPJUHHUSA-N 306.406 3.039 10 10 DGCE Nc1ccc(CNC(=O)[C@@H]2[C@H]3CC[C@@]2(c2ccccc2)C3)cc1 927768078 MFGIAIUVOPOKOB-QSFXBCCZSA-N 306.409 3.253 10 10 DGCE COc1ccccc1[C@@H](C)CC(=O)NCc1c(O)cccc1F 928712681 VXQOPMLQJNSPFB-LBPRGKRZSA-N 317.360 3.350 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)[C@]2(C)CCC[C@H]2C)cc1 1300279571 HXVYTCMQEQNTLG-DNVCBOLYSA-N 318.461 3.416 10 10 DGCE CCOc1ccc(O)c(CN2CC(CC3CCOCC3)C2)c1 1353604991 GWKDOXWFTGXERI-UHFFFAOYSA-N 305.418 3.039 10 10 DGCE Cc1cc(CNC(=O)Cc2cccnc2)c(C)n1-c1ccccc1 1462088467 WOXNURCLIRVSHM-UHFFFAOYSA-N 319.408 3.348 10 10 DGCE O=C(Nc1cccc(N2CCCC2)c1)c1cccc(O)c1F 1542115731 IQRPZNXWBBQTAV-UHFFFAOYSA-N 300.333 3.384 10 10 DGCE CSCc1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 1542973467 OEXOJDHZSMEYOW-UHFFFAOYSA-N 303.383 3.142 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1cccc(F)c1N 1545505018 QIRFOCYVMWFKKR-UHFFFAOYSA-N 302.349 3.166 10 10 DGCE C/C(=C\C(=O)NCCc1ccc(O)c(O)c1)c1ccccc1C 1622753332 RCJHDFRZIRGNPG-SDNWHVSQSA-N 311.381 3.168 10 10 DGCE COc1ccc(N(C)CCN(C)C(=O)/C=C\C2CCCC2)cc1 1628468523 CFUVPNXOUARJNK-JYRVWZFOSA-N 316.445 3.336 10 10 DGCE CC[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1F 1640709242 VLYGYQKETWLKII-AWEZNQCLSA-N 303.333 3.047 10 10 DGCE O=C(NCc1c(Cl)oc2ccccc12)c1cccc(O)c1O 1641441964 JHPRPUSDMINGRZ-UHFFFAOYSA-N 317.728 3.427 10 10 DGCE Cc1ccc(O)c(CNC(=O)c2coc(-c3ccccc3)n2)c1 1645800263 ABLIUDVKIIZDNC-UHFFFAOYSA-N 308.337 3.286 10 10 DGCE C[C@@H](N[C@H](C)c1ccccc1O)C(=O)Nc1ccc(F)c(F)c1 1659815900 YFSWHRSUDYPDIP-GHMZBOCLSA-N 320.339 3.348 10 10 DGCE Cc1ccc(O)c(N=c2[nH]c(-c3ccccc3)ncc2C(=O)O)c1 1859856818 QTOLRLYGAVWYLL-UHFFFAOYSA-N 321.336 3.021 10 10 DGCE C[C@@]1(O)[C@H]2C[C@@H]1CN(c1ccc(OCc3ccccc3)cc1)C2 1899871258 VPENVAWMRUYIRN-YRWFTTLQSA-N 309.409 3.473 10 10 DGCE CCOC(=O)[C@@](C)(NCCCN=[N+]=[N-])c1ccc(Cl)s1 1912195069 XILVIRCVCCXQOR-LBPRGKRZSA-N 316.814 3.470 10 10 DGCE CC[C@@]1(F)CCN(c2ccc(CN)c(Br)c2)C1 1925579677 QMVVFGPSYHQZFM-CYBMUJFWSA-N 301.203 3.236 10 10 DGCE Oc1cccc(Br)c1CNCC=CBr 1925906024 ZTDROOMUVJWRIL-UHFFFAOYSA-N 321.012 3.153 10 10 DGCE CSC1CN(c2ccc([C@@H](C)N)c(Br)c2)C1 1939041962 LGXYWADXYIFEOH-MRVPVSSYSA-N 301.253 3.020 10 10 DGCE Cc1cccc([C@@H]2CC(=O)CCN2C(=O)OC(C)(C)C)c1O 1952068995 FMIBNOFPYVPKLV-AWEZNQCLSA-N 305.374 3.342 10 10 DGCE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](Nc2ccc(N)cc2)C1 1959365026 DRUKGENRSSRTJR-WFASDCNBSA-N 305.422 3.374 10 10 DGCE CCN(C(=O)OC(C)(C)C)[C@@H]1CCN(CCCCN=[N+]=[N-])C1 1962304512 NQXQUTHMCPPBLM-CYBMUJFWSA-N 311.430 3.408 10 10 DGCE Oc1cc(Br)ccc1CNC[C@H]1C(F)(F)C12CC2 1974195640 INMNBGJBKOXBBJ-LLVKDONJSA-N 318.161 3.290 10 10 DGCE C[C@@H](O)c1ccc(N2C[C@@H](F)C[C@H]2C)cc1Br 1997691120 HNJMSEVDVOBWFH-BBBLOLIVSA-N 302.187 3.439 10 10 DGCE Cc1cccc([C@H](C)n2nc(CC(C)C)cc2C(=O)O)c1O 2069878259 VXRZWKSXNIWMOL-LBPRGKRZSA-N 302.374 3.403 10 10 DGCE Cc1nc(CNCc2ccc(N)cc2)ccc1Br 2077609167 MRNKIERDPODXPW-UHFFFAOYSA-N 306.207 3.025 10 10 DGCE Cc1ccc([C@H](C(C)C)n2nc(C(F)F)c(C=O)c2N)c(O)c1 2079062589 SANAPSNEAIFKJV-AWEZNQCLSA-N 323.343 3.475 10 10 DGCE Cc1cc(O)c([C@H](C)n2nc(C(C)C)c(C=O)c2N)cc1C 2079958431 VDGXCIIMNLWZSA-LBPRGKRZSA-N 301.390 3.333 10 10 DGCE Cc1cc(O)c([C@@H](C)n2nc(C(C)C)c(C(=O)O)c2N)cc1C 2079958827 RURNDVUJDQAKDW-LLVKDONJSA-N 317.389 3.219 10 10 DGCE CN(Cc1ccc(N)cc1)Cc1cccnc1Br 2085948081 JMHMABMIUWSGPE-UHFFFAOYSA-N 306.207 3.058 10 10 DGCE Cc1nc([C@H](N)c2ccc(N(C)C)cc2)ccc1Br 2100782360 VLOGCJHLJLALSN-OAHLLOKOSA-N 320.234 3.267 10 10 DGCE CCN[C@H](C)c1cnc(SCC(C)(C)C(=O)OC)s1 2103566188 QNPUBIOPVLMBAP-SECBINFHSA-N 302.465 3.105 10 10 DGCE CCCN[C@@H](C)c1cnc(Sc2n[nH]c(CCC)n2)s1 2159806862 CJNKSJBRHZJCRZ-VIFPVBQESA-N 311.480 3.426 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC1CN(C2CCCC2)C1 2169251610 SQOWLSHWPUPFDO-UHFFFAOYSA-N 315.244 3.415 10 10 DGCE CO[C@H]1CC[C@@H](N(C)c2cc(Cl)c(CN)cc2F)CC1 2177381748 QJWMBSHGXJBPIS-TXEJJXNPSA-N 300.805 3.332 10 10 DGCE CO[C@@H]1CC[C@H](CN(C)c2cc(Cl)c(CN)cc2F)C1 2177387753 IYHOOEMWVCDYLU-CMPLNLGQSA-N 300.805 3.189 10 10 DGCE C[C@H](NCc1csc(C(F)F)n1)c1c(O)cccc1O 2188737448 RGWXFQQCXLXRBN-ZETCQYMHSA-N 300.330 3.343 10 10 DGCE COC[C@](C)(CN(C)Cc1cc(Cl)cc(Cl)c1O)OC 2198151961 UJHUJMFNTUWGGZ-AWEZNQCLSA-N 322.232 3.182 10 10 DGCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NC(=O)Cc1cccc(Br)c1 2225798627 HJVYOUBYLGNSQO-NWDGAFQWSA-N 323.194 3.339 10 10 DGCE Nc1ccc(CC[S@](=O)C[C@H]2CCCCC2(F)F)cc1 2283108820 ZGMIULPFSDUAQU-XCLFUZPHSA-N 301.402 3.386 10 10 DGCE Cc1ccc(C[C@@H](C)NC(=O)C=Cc2ccc(O)c(O)c2)s1 2307987748 HVKCYHHRFSTIFN-LLVKDONJSA-N 317.410 3.228 10 10 DGCE COc1ccc(OC)c(N=NN(C)CCc2ccncc2)c1 2330209433 FKOODJRIWZLFLX-UHFFFAOYSA-N 300.362 3.272 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN(C(=O)c2cc(Br)ccn2)C1 2336287971 UGRGUAVWDNOPPJ-VIFPVBQESA-N 324.182 3.007 10 10 DGCE CSc1ncc(CN[C@@](C)(CC(C)(C)C)C(=O)O)s1 2350662105 YGPFWQRDDLZEJT-ZDUSSCGKSA-N 302.465 3.234 10 10 DGCE CCCN[C@H]1C(=O)Nc2cc(Sc3nccs3)ccc21 40677078 RFFQZYWDYMGSJY-GFCCVEGCSA-N 305.428 3.287 10 10 DGCE CCCCCC1(C)OC(=O)C(=Cc2ccccc2OC)C(=O)O1 59567633 GNOJTMAYZOVGCG-UHFFFAOYSA-N 318.369 3.475 10 10 DGCE Oc1c(Br)cccc1CN[C@@H]1COc2ccccc21 70070143 FOTHMUPJNIVFTP-CYBMUJFWSA-N 320.186 3.378 10 10 DGCE N[C@@H](c1ccc(Cl)c(Br)c1O)C(F)(F)F 95717037 QWJWNPIDCVPDDW-ZETCQYMHSA-N 304.493 3.370 10 10 DGCE CC(C)(C)C[C@@H]1C[C@@H](N)CN(c2ccc3c(c2)OCCO3)C1 108216998 PUIMIKHLGIJTQL-UONOGXRCSA-N 304.434 3.048 10 10 DGCE Cc1ccc(O)c(CNC[C@H](C)CN(C)C(=O)OC(C)(C)C)c1 113341765 VSPCDPMRIXYZPJ-AWEZNQCLSA-N 322.449 3.293 10 10 DGCE COc1ccc2c(c1)CCN2Cc1ccccc1N1CCOCC1 127688431 DMPVFHUFUKTBCZ-UHFFFAOYSA-N 324.424 3.095 10 10 DGCE C[C@@H]1SCCN(c2ccc(CN)cc2C(F)(F)F)[C@@H]1C 133327992 BCMNMXIXMXSWGF-ZJUUUORDSA-N 304.381 3.494 10 10 DGCE COc1cc(C)cc(CN2CCO[C@@H](c3ccccc3)C2)c1O 163895181 FZDSQPJPFSHRLA-GOSISDBHSA-N 313.397 3.283 10 10 DGCE CCNCc1ccc(N2CC[C@@H](N(CC)CC)C2)c(Cl)c1 164064899 WEKSUKVBQJAQKU-OAHLLOKOSA-N 309.885 3.370 10 10 DGCE C[C@@H](N)c1ccc(N2CCOCC2(C)C)cc1Br 235218367 SSOCSKNDLLNIBT-SNVBAGLBSA-N 313.239 3.084 10 10 DGCE C[C@H](N)c1ccc(N2CCCO[C@H](C)C2)cc1Br 235506304 ONDMMRWAZUZRAR-MNOVXSKESA-N 313.239 3.084 10 10 DGCE CC(=O)N(C(=O)Oc1ccc(F)cc1F)c1ccc(N)cc1 243102591 JCCWWDJGTZQNJX-UHFFFAOYSA-N 306.268 3.099 10 10 DGCE CN(C(=O)/C=C\c1ccccc1[N+](=O)[O-])c1ccccc1F 255903471 PWWXSESVAJDMIQ-KHPPLWFESA-N 300.289 3.410 10 10 DGCE CCOc1ccc(O)c(CN[C@H](C)[C@@H](O)c2cccc(F)c2)c1 267156844 DSUYCDUQTLLURH-KZULUSFZSA-N 319.376 3.142 10 10 DGCE CCOCc1nc([C@H](C)N[C@@H](C)c2ccc(C)c(C)c2O)no1 289589508 AVHMGVBWGAPIRO-STQMWFEESA-N 319.405 3.340 10 10 DGCE COc1ccc(O)c(CN2CCC(C3CCOCC3)CC2)c1 378439298 OEARLFOBSOEFLB-UHFFFAOYSA-N 305.418 3.039 10 10 DGCE N[C@@H](CCCC(=O)O)c1ccc(OCc2ccccc2)cc1O 381769185 QKZIFAIUYAUNOF-INIZCTEOSA-N 315.369 3.226 10 10 DGCE COc1ccc(N2CC[C@@H](COCc3ccccc3)C2)c(N)c1 383890975 DESNBLPYMKUQLE-MRXNPFEDSA-N 312.413 3.321 10 10 DGCE C[C@H](CCOCc1ccccc1)NCc1cccc(O)c1O 389942846 OAELUOBUIJBWGE-CQSZACIVSA-N 301.386 3.183 10 10 DGCE CO[C@@H]1CC[C@@H](C)N(Cc2ccc(Br)cc2O)C1 687212858 DHWPBMOONALVQA-ZWNOBZJWSA-N 314.223 3.154 10 10 DGCE NCc1ccc(N2C[C@H]3CCCC[C@@H]32)c(F)c1Br 706787588 ZNQCOMDTNURYNP-MNOVXSKESA-N 313.214 3.426 10 10 DGCE CSC1CC(NCc2c(O)cccc2Br)C1 708268989 HZFVUWISRYKWSA-UHFFFAOYSA-N 302.237 3.138 10 10 DGCE COc1cccc(CNCCCCOc2ccccc2)c1O 725845111 LKEAHDGTSUUJTP-UHFFFAOYSA-N 301.386 3.350 10 10 DGCE Cc1ccc(CC[C@@H](C)NC(=O)/C=C\c2ccc(O)c(O)c2)o1 779523449 BZJIUMWYNHOWEP-XTOZHPGHSA-N 315.369 3.150 10 10 DGCE CC/C(C)=C(\C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 779717463 BOBKTLVPRNFMIR-CCEZHUSRSA-N 302.418 3.090 10 10 DGCE CN(C[C@@H]1CC=CCC1)C(=O)NCc1ccc(N(C)C)cc1 783926900 JZLVZTQWNHTYGL-MRXNPFEDSA-N 301.434 3.250 10 10 DGCE Cc1[nH]ccc(=NCc2ccc(N(C)C)cc2)c1Br 792691604 NWYUCTDBUZFOSO-UHFFFAOYSA-N 320.234 3.253 10 10 DGCE CC(C)(C)C[C@H](O)CC(=O)NCc1c(O)ccc2c1CCCC2 813490564 LDQBOKRXIVDRCT-CQSZACIVSA-N 319.445 3.074 10 10 DGCE CN(c1ccc(CNC[C@H](O)C2CC2)cc1)C1CCCCC1 818981849 ZRULFADXORLDSU-IBGZPJMESA-N 302.462 3.316 10 10 DGCE CCOc1ccc(O)c(CN[C@H]2CCCCC[C@H]2C(=O)OC)c1 824624866 CBLQMBFFSPIKCK-CVEARBPZSA-N 321.417 3.002 10 10 DGCE C[C@@H](NC(=O)C1CC2(C1)CC2(F)F)c1ccc(N(C)C)cc1 832436685 NNHGDQXVUGSYMH-FFKNIBCLSA-N 308.372 3.365 10 10 DGCE C[C@@H](NCc1cc(Cl)cc(Cl)c1O)c1nccn1C 850409629 DUXDSXXAWSRALV-MRVPVSSYSA-N 300.189 3.283 10 10 DGCE CCNCc1cccc(NC(=O)N[C@@H](C)c2ccccc2O)c1 868163174 KQCQIPZQRDSWNH-ZDUSSCGKSA-N 313.401 3.384 10 10 DGCE Cn1c(=O)oc2ccc(COc3ccc(N4CCCC4)cc3)cc21 871736386 JCHOVEBXSUHWDV-UHFFFAOYSA-N 324.380 3.311 10 10 DGCE c1cc(N2CCOCC2)ccc1CNCC1(CC2CC2)CC1 883249595 LTHJFEKGFLQBSG-UHFFFAOYSA-N 300.446 3.193 10 10 DGCE c1csc(SCCCN[C@@H]2CC[C@@H]3COCC[C@@H]3C2)n1 921756598 YWDULCOLUQDBQZ-MGPQQGTHSA-N 312.504 3.420 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)NC[C@@]23CCCC[C@H]2C3)cc1 927432000 VDFBSNGCPPJEDW-LRDDRELGSA-N 300.362 3.159 10 10 DGCE COc1ccccc1C(C)(C)C(=O)NCc1c(O)cccc1F 928711151 FSDWSIQXNOJZSI-UHFFFAOYSA-N 317.360 3.134 10 10 DGCE CCC[C@@H](C)[C@@H](CO)NCc1ccc(Br)cc1O 1118577317 MSRZMHAMUJBAES-ZWNOBZJWSA-N 316.239 3.041 10 10 DGCE CNc1cc(Cl)ccc1C(=O)NCc1ccc(N(C)C)cc1 1135825212 JTVUJKFVWNHUJR-UHFFFAOYSA-N 317.820 3.378 10 10 DGCE O=[N+]([O-])c1ccc(N2Cc3cccc(O)c3C2)c2ncccc12 1307192999 OXSPBHGBVWWTFD-UHFFFAOYSA-N 307.309 3.369 10 10 DGCE CCC1(CC)[C@@H](NC(=O)N[C@@H](C)c2ccccc2O)C[C@@H]1OC 1312347037 CFTHRYDYTIROAV-RCBQFDQVSA-N 320.433 3.346 10 10 DGCE CCN1CC[C@@H](N(C)Cc2ccc(N(C)CC)cc2)[C@@H](C)C1 1320876919 UAFNTGMATNLLCN-QFBILLFUSA-N 303.494 3.305 10 10 DGCE CC(C)C[C@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 1439960256 LFTAGNYPXGXCMA-MAUKXSAKSA-N 319.493 3.154 10 10 DGCE CC(C)(C)c1ccc(C(=O)NCc2c(O)cccc2O)s1 1456238570 ZOHCQIJIESYTDE-UHFFFAOYSA-N 305.399 3.387 10 10 DGCE CC(C)(C)Oc1ccc(C(=O)NCc2c(O)cccc2O)cc1 1472064123 TYRCKSXNYRQQIG-UHFFFAOYSA-N 315.369 3.205 10 10 DGCE Cc1ccc(F)c(OCC(=O)NCc2cccc(Cl)c2O)c1 1472317144 XEYAJHAHJWFSHT-UHFFFAOYSA-N 323.751 3.188 10 10 DGCE O=C(NC[C@H]1C[C@@H]1C1CCCC1)N1Cc2cccc(O)c2C1 1521342138 CVEQTRWBHFUNKE-HUUCEWRRSA-N 300.402 3.244 10 10 DGCE CCO[C@H](C)C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C 1531612325 PQNNCOZTHNMLEJ-MRXNPFEDSA-N 314.429 3.444 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C)c2cnccn2)cc1 1570801656 CPOLULFLZKMBFI-HNNXBMFYSA-N 320.396 3.375 10 10 DGCE CCCCC(=O)N1CC[C@@H](NCc2ccc(OC)c(C)c2)[C@@H]1C 1725553883 DLTXIRIWYWVHBP-DOTOQJQBSA-N 318.461 3.273 10 10 DGCE Cc1cc2[nH]c(=Nc3cc(C(=O)O)ccc3O)oc2cc1Cl 1859857781 JLYCCAFQQLTKMI-UHFFFAOYSA-N 318.716 3.359 10 10 DGCE FC(F)(F)c1cccc(NN=NCCCN2CCOCC2)c1 1860489895 IIWJZYKIRDGNAR-UHFFFAOYSA-N 316.327 3.207 10 10 DGCE CCOc1ccc(/C=C2/C(=O)N(CC)N=C2CC)cc1OCC 1865666908 YYVAWTFKLFQAEX-SDNWHVSQSA-N 316.401 3.496 10 10 DGCE CCOc1ccc(C)cc1[C@H](C)NC(=O)Cc1ccc(N)cc1 1865955298 KSHJREGOKOXIQG-AWEZNQCLSA-N 312.413 3.396 10 10 DGCE Cc1c(I)cc(C=O)cc1CN=[N+]=[N-] 1887519928 OQXNCQOZXZUREP-UHFFFAOYSA-N 301.087 3.222 10 10 DGCE Cc1ccnc(CN2CC[C@@H](CN=[N+]=[N-])C2)c1Br 1912157325 XKZHSJNZKHSPDV-JTQLQIEISA-N 310.199 3.285 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1C=CC[C@H]([C@@H](N)c2ccccc2O)C1 1936976804 UPQQMCVEDHDJOL-WOSRLPQWSA-N 318.417 3.252 10 10 DGCE C[C@@H](CCNC(=O)OC(C)(C)C)N[C@@H](C)c1cc(O)ccc1O 1937018365 HDHVSHQNMCXQQW-RYUDHWBXSA-N 324.421 3.052 10 10 DGCE C[C@H](N[C@@H]1CC[C@@H]1OCc1ccccc1)c1c(O)cccc1O 1939573710 GQKKJXNQBFGONX-JOQOYGCGSA-N 313.397 3.496 10 10 DGCE O=C1Nc2cc(N(Cc3ccccc3)CC3CCC3)ccc2[C@@H]1O 1946850568 HIIRSSPFOXQCIT-IBGZPJMESA-N 322.408 3.479 10 10 DGCE COc1c(NC(=O)OC(C)(C)C)cccc1[C@@H](CO)N=[N+]=[N-] 1951399479 AGTVSDXUKQNFBW-LLVKDONJSA-N 308.338 3.386 10 10 DGCE Oc1cccc2c1[C@@H](N[C@@H]1CCCC3(CC1)OCCO3)CC2 1967524741 QIAMRNKSZZYAKY-CABCVRRESA-N 303.402 3.045 10 10 DGCE CSC[C@H]1C[C@@H](NCc2cccc(Br)c2O)C1 1974454168 MHXCBYKGFWOYLB-JGZJWPJOSA-N 316.264 3.386 10 10 DGCE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N(C)c1ccc(N)cc1 1978219305 CHKBBWBBZSSXHN-CZUORRHYSA-N 319.449 3.351 10 10 DGCE CC[C@H](CN(C)CCc1ccc(N)cc1)NC(=O)OC(C)(C)C 1981725979 AHWCZXXMSCCYSH-MRXNPFEDSA-N 321.465 3.046 10 10 DGCE CC(C)(C)OC(=O)N1CCC2(CCN(CCCN=[N+]=[N-])C2)CC1 1982243504 ZVYUCLCCLOJKAC-UHFFFAOYSA-N 323.441 3.410 10 10 DGCE CNCc1ccc(N(C)[C@@H]2[C@H]3CCC[C@H]32)cc1Br 2033879959 MTWVHGMDYMRNAK-NHAGDIPZSA-N 309.251 3.403 10 10 DGCE O=C1Nc2ccccc2C1=Cc1ccc(N2CCOCC2)cc1 2040582308 FWFISWZSIAJQSO-UHFFFAOYSA-N 306.365 3.016 10 10 DGCE CN(c1ccc(CO)c(Br)c1)[C@@H]1[C@H]2C[C@@H]2[C@H]2C[C@H]21 2047811553 IHCOTHSLBKWOCF-NTASLKFISA-N 308.219 3.032 10 10 DGCE CC[C@](C)(CN(C)Cc1ccc(Br)cc1O)OC 2066248357 VFPNZLDXBJXZPH-CQSZACIVSA-N 316.239 3.402 10 10 DGCE CC1=CCN(c2ccc(CNC3CC3)c(Br)c2)C1 2077208260 MYDJPRGBCVMBMG-UHFFFAOYSA-N 307.235 3.467 10 10 DGCE C[C@](O)(c1cccc(Br)c1)[C@@H](N)c1ccccc1O 2091867146 KOFANYWDLBMRLD-GJZGRUSLSA-N 322.202 3.062 10 10 DGCE CC(C)CNCc1cnc(SCCOCC2CC2)s1 2127762530 DRYVTYWAZYRULL-UHFFFAOYSA-N 300.493 3.407 10 10 DGCE CCCNCc1ccc(N2C[C@H](F)[C@H](OC)C2)c(Cl)c1 2146485402 VQDIPORKQJIZFS-DZGCQCFKSA-N 300.805 3.013 10 10 DGCE CN(C)c1ccc([C@@H](N)c2cc(C(F)(F)F)ns2)cc1 2155025687 HBUQZACXUCGHIS-GFCCVEGCSA-N 301.337 3.276 10 10 DGCE CC[C@H](N)Cc1cnc(Sc2nc3ccccc3[nH]2)s1 2155360065 FMCPBEZXLDBVQZ-VIFPVBQESA-N 304.444 3.450 10 10 DGCE C[C@H](NC(C(F)(F)F)C(F)(F)F)c1c(O)cccc1O 2183913337 UNLGJVXNCIVWNB-YFKPBYRVSA-N 303.202 3.242 10 10 DGCE C[C@@H](O)c1cc(F)c(N(C)C2CSCCSC2)c(F)c1 2237052989 CZFYXDFFFAISRH-SECBINFHSA-N 319.442 3.303 10 10 DGCE CC1=NN(c2ccccc2)C(=O)C1=Cc1ccc(O)c([N+](=O)[O-])c1 2294004998 GQUCKBVYFBHTBT-UHFFFAOYSA-N 323.308 3.107 10 10 DGCE COc1cccc(C(C)=CC(=O)N(C)Cc2ccccc2O)c1 2297823104 JYXZRKPHCDEWTR-UHFFFAOYSA-N 311.381 3.463 10 10 DGCE C[C@@H](N)c1ccc(N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)cc1Br 2308726059 UTWDGEGATVKERC-SVUUNPHSSA-N 307.235 3.313 10 10 DGCE CCCOC(=O)c1cccc(N=NN2C[C@@H](C)O[C@H](C)C2)c1 2330232970 RCFVSRUKOXVRDH-CHWSQXEVSA-N 305.378 3.361 10 10 DGCE CN(c1ccc(CN)c(Br)c1)[C@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21 2330299361 IPAANTUIOIJFNU-UYLCMAPUSA-N 321.262 3.389 10 10 DGCE Cc1cc(N(C)Cc2ccc(C)c(Br)c2O)ncn1 2352619414 FBXJIYYWDMGGHL-UHFFFAOYSA-N 322.206 3.198 10 10 DGCE CSc1ncc(Cn2cncc2[C@@]2(C)CCCCN2)s1 2367231243 YPMSWGBNMMEBEO-CQSZACIVSA-N 308.476 3.099 10 10 DGCE Oc1ccc(OC(F)(F)F)cc1CNC[C@H]1CCSC1 2361043443 JYWYGDKPOYFAKK-SECBINFHSA-N 307.337 3.134 10 10 DGCE COc1ccc([C@@](C)(Nc2ccccc2Cl)C(N)=O)cc1 37950193 NBUUPOHSDOLTOY-MRXNPFEDSA-N 304.777 3.161 10 10 DGCE CC[C@H](NCCc1c(C)nn(C)c1C)c1ccc(N(C)C)cc1 124209178 MMXOOCDTBQXDNF-IBGZPJMESA-N 314.477 3.386 10 10 DGCE CC(C)[C@@H](CN[C@@H](C)c1ccc(F)c(F)c1O)N1CCCC1 191197579 RYJWEAJBQMXADA-SWLSCSKDSA-N 312.404 3.441 10 10 DGCE Oc1ccc2ccccc2c1CN1CC[C@](O)(C(F)(F)F)C1 93611680 XDJZKMZLQSNQFT-OAHLLOKOSA-N 311.303 3.045 10 10 DGCE CC(C)[C@@H]1C[C@@H]1C(=O)NCc1cccc(Br)c1O 277584491 RUICBIMWMRPJMD-QWRGUYRKSA-N 312.207 3.063 10 10 DGCE CN(C)c1ccc([C@@H](N)Cc2ncccc2Br)cc1 382459879 XIPMKLDLGCUITP-AWEZNQCLSA-N 320.234 3.153 10 10 DGCE C[C@H]1[C@H](C)CN1c1ccc(/C=C/C(=O)O)c(Br)c1 706828426 BVWPSZZSZPBVDW-HANDCERCSA-N 310.191 3.392 10 10 DGCE NC[C@@H]1C[C@@H]2CCC[C@H]2N1Cc1cc(Cl)cc(Cl)c1O 2164803220 KZLMOJVSLPVFAC-DUFXMDAXSA-N 315.244 3.401 10 10 DGCE C[C@@H](N[C@@H]1CC12CCNCC2)c1cc(Cl)c(Cl)cc1O 817976173 HODSDBSNEWQVHC-YMTOWFKASA-N 315.244 3.492 10 10 DGCE COc1ccc(N2CCCN(CCC(=O)CC(C)C)CC2)cc1 827802566 HMDFAHYCKQZOPX-UHFFFAOYSA-N 318.461 3.213 10 10 DGCE O=C(NCCCSc1nccs1)C1CC2(C1)CC2(F)F 827475313 WWMIGXBEEGMATQ-UHFFFAOYSA-N 318.414 3.177 10 10 DGCE COc1ccc(O)c(CNC(=O)C2CCC(C3CC3)CC2)c1 830543613 AHGGQTHUIQITHR-UHFFFAOYSA-N 303.402 3.233 10 10 DGCE COc1ccc(NC/C=C/c2ccc(N(C)C)cc2)cc1CO 835029975 AAHJWBRPQXSWRP-SNAWJCMRSA-N 312.413 3.379 10 10 DGCE C[C@H]1CN(C(=O)NCCc2ccc(N)cc2)CCc2ccccc21 846171889 JIJYTRAPPRCIEX-HNNXBMFYSA-N 323.440 3.183 10 10 DGCE COCc1ccnc(NCc2cc(Cl)cc(OC)c2O)c1 846117366 NYSOTJUSMLPUEL-UHFFFAOYSA-N 308.765 3.208 10 10 DGCE Oc1ccc(Cl)c(F)c1CN[C@@H](C1CC1)[C@@H]1CCCOC1 922895690 GEHDRYDLITXXTB-BZNIZROVSA-N 313.800 3.480 10 10 DGCE Cc1ccc2c(c1)N[C@H](c1ccc3c(c1)CCCN3C)NC2=O 846758317 BDKJMNGSVGIQCQ-SFHVURJKSA-N 307.397 3.232 10 10 DGCE CCc1nccn1[C@@H](C)CC(=O)NCc1cc(Cl)ccc1O 846475664 DYMGSVSWLXKKJC-NSHDSACASA-N 321.808 3.072 10 10 DGCE CCCN1CCC(CN[C@H](C)c2cc(F)cc(F)c2O)CC1 756532808 GJQVKXUEKSIRQT-GFCCVEGCSA-N 312.404 3.443 10 10 DGCE CCC[C@@H](C)N(C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 854300874 CHRNECNNIQWNNR-CABCVRRESA-N 319.449 3.104 10 10 DGCE CO[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)C1CCCCC1 854325016 VFBAKWABECZTMU-SFHVURJKSA-N 318.461 3.306 10 10 DGCE O=C(/C=C/c1ccnc2ccccc12)NCc1ccccc1O 769365684 RFJRVKWCEGRURC-MDZDMXLPSA-N 304.349 3.270 10 10 DGCE CCO[C@@H](C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)C(C)C 862002512 UBBTUSGNHNIJKA-CRAIPNDOSA-N 320.477 3.169 10 10 DGCE Cc1cc(N(C)C)ccc1CNCc1ccnn1CC1CCC1 865466439 WFRPPKHGFCWHJP-UHFFFAOYSA-N 312.461 3.347 10 10 DGCE C[C@@H](NC(=O)c1cc(-c2ccoc2)[nH]n1)c1ccc(N(C)C)cc1 773007784 KECWPZJLIJKIDO-GFCCVEGCSA-N 324.384 3.227 10 10 DGCE CCN(C)c1ccc(CN2CCC[C@H]([C@@H]3CCOC3)C2)cc1 773811173 WWOGFCBDMXVSPC-ZWKOTPCHSA-N 302.462 3.391 10 10 DGCE CN(Cc1ccc(N(C)C)cc1)C(=O)C1C[C@@H]2CC[C@H](C1)S2 895485064 IIBOTCYLVTZYPR-ZXFUBFMLSA-N 318.486 3.385 10 10 DGCE Oc1ccc(Cl)c(F)c1CN1CCC[C@@H]([C@H]2CCOC2)C1 792173039 QBQPEJFGGMEXQI-NEPJUHHUSA-N 313.800 3.433 10 10 DGCE CC(C)[C@@H](C(=O)Nc1ccc(N)cc1)N1CCc2ccccc2C1 62461141 FCPVOOHXAXXSQZ-IBGZPJMESA-N 323.440 3.290 10 10 DGCE CCc1ccc(C(=O)NCc2ccc3cccnc3c2O)c(O)c1 1162612581 MLAGLFRILNAUMA-UHFFFAOYSA-N 322.364 3.138 10 10 DGCE COc1cc(CN2CC[C@]23CCOC3)c(O)c(C(C)(C)C)c1 1333909351 YUYAWZBGBNLKQB-GOSISDBHSA-N 305.418 3.063 10 10 DGCE O=C(CC[C@@H]1CCc2ccccc21)NCc1cccc(O)c1O 1347542548 OANIPHNBRYNGQI-AWEZNQCLSA-N 311.381 3.224 10 10 DGCE Cc1ccc(C(=O)NCc2cc(Cl)ccc2O)cc1[N+](=O)[O-] 1452941652 GSZLSANXNRBODO-UHFFFAOYSA-N 320.732 3.192 10 10 DGCE C[C@@H](Cc1ccccc1Cl)C(=O)NCc1ccc(O)cc1O 1299573960 MECISPKRFLYZDP-NSHDSACASA-N 319.788 3.246 10 10 DGCE CN(C)c1ccc(CNC(=O)c2ccc(-c3cn[nH]c3)cc2)cc1 1628708979 RHNUWPBODHGUMR-UHFFFAOYSA-N 320.396 3.073 10 10 DGCE CN(CCN=[N+]=[N-])C(=O)COc1ccc(Cl)cc1Cl 1912193165 CDBIBYDOCQMOGR-UHFFFAOYSA-N 303.149 3.141 10 10 DGCE C[C@@H](NC(=O)Cc1cc2ccccc2nc1O)c1ccccc1O 1635794074 VEXWJMORACAAGJ-GFCCVEGCSA-N 322.364 3.066 10 10 DGCE Cc1ccc(F)cc1NC(=O)CCN(C)Cc1ccccc1O 1652732564 VRNRSGRXCWJTPU-UHFFFAOYSA-N 316.376 3.300 10 10 DGCE C[C@H](NC(=O)NC[C@@H]1C[C@@H]1[C@H]1C[C@H]1C)c1ccc(N(C)C)cc1 1671852160 RYGCXMBOOOHKAB-KDDMCQSNSA-N 315.461 3.405 10 10 DGCE CN(C)c1ccc(CNCc2cccc(-c3cc[nH]n3)c2)cc1 34464942 DKSZPSQAOOONHG-UHFFFAOYSA-N 306.413 3.433 10 10 DGCE CCC(=O)N[C@H](CNCc1ccc(OC)c(C)c1)CC(C)C 1698865820 OKKAFJQGDGVTOK-INIZCTEOSA-N 306.450 3.034 10 10 DGCE Nc1ccc(OCCCN2C[C@@H](c3cccs3)OC2=O)cc1 585890774 QCKAUALHLPZDOL-AWEZNQCLSA-N 318.398 3.293 10 10 DGCE CCN(CCNCc1cccc(C)c1O)C(=O)OC(C)(C)C 224578151 JBXZRYZUPMNUAQ-UHFFFAOYSA-N 308.422 3.047 10 10 DGCE CC[C@](CCCSc1nccs1)(NC1CC1)C(=O)OC 2144115551 NUQBUPJPJORYKI-CQSZACIVSA-N 314.476 3.089 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2CCCN(CCCCN=[N+]=[N-])[C@H]2C1 1982246476 VPZOFGJVPLWDRJ-KGLIPLIRSA-N 323.441 3.408 10 10 DGCE NCc1ccc(N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1 1999616358 JJOSBENSQRVRAW-OAQYLSRUSA-N 321.468 3.248 10 10 DGCE Cc1ccc([C@H](NN)c2ccccc2O)cc1Br 2029545795 WFOCBNGWQNJFQW-AWEZNQCLSA-N 307.191 3.016 10 10 DGCE C[C@@H]1CCC[C@H](S(=O)(=O)Nc2ccc(O)cc2Cl)C1 407316956 PTIPQACJDJBCBI-KOLCDFICSA-N 303.811 3.366 10 10 DGCE COCCNCc1ccc(N2CCC[C@H]2CF)cc1Cl 2171804961 JRZDMEOHUJCJCP-AWEZNQCLSA-N 300.805 3.014 10 10 DGCE O=C(O)[C@@H]1C[C@]12CC[C@@H]2NCc1cc(Cl)cc(Cl)c1O 2172502235 UYYOJWPCFWABTP-NURSFMCSSA-N 316.184 3.042 10 10 DGCE CNCc1ccc(N(C)Cc2c(Cl)cnn2C)c(Cl)c1 2168140528 JXFUUEPDOSSBCG-UHFFFAOYSA-N 313.232 3.083 10 10 DGCE CCc1nn(Cc2cccc(C)c2O)c(C(F)(F)F)c1C=O 2078893538 QOZQKNJAYRAKOL-UHFFFAOYSA-N 312.291 3.339 10 10 DGCE Oc1c(F)cc(Br)cc1CN[C@@H]1C[C@H]2C=C[C@H]1C2 2058414190 ZBRMQVOKAWFJFM-MWODSPESSA-N 312.182 3.348 10 10 DGCE CN[C@@H](c1ccccc1O)[C@@H](O)c1ccc(Br)cc1 2091857888 FWCIRSZQXJWBSS-GJZGRUSLSA-N 322.202 3.149 10 10 DGCE CNCc1ccc(N2CC[C@H](OC(F)(F)F)C2)cc1Cl 2238904693 LHMZOGRHQSMDSA-NSHDSACASA-N 308.731 3.175 10 10 DGCE C[C@H]1CN(c2cc(Cl)c(CN)cc2F)[C@@H](C)C(C)(C)O1 2287887812 NQUVRENKEAVCKA-UWVGGRQHSA-N 300.805 3.330 10 10 DGCE CN[C@H](C)c1ccc(N(C)Cc2nc(C)ns2)c(Cl)c1 2288840853 YFEISQZFQQXWBZ-SECBINFHSA-N 310.854 3.417 10 10 DGCE O=C(/C=C\c1cccnc1)N1CCC[C@@H](O)c2cc(F)ccc21 492423962 DSIFNDOHAFCEQI-CTEOGUNLSA-N 312.344 3.094 10 10 DGCE Cc1ncccc1/C=C\C(=O)N(C[C@@H]1CCCO1)c1ccncc1 493822200 MQCJAQTVRAZZGJ-MJRGOJFPSA-N 323.396 3.010 10 10 DGCE CN(C(=O)C=Cc1ccc(Cl)nc1)c1ccc2c(c1)OCO2 2304490451 RSZNFOYTYQNEGS-UHFFFAOYSA-N 316.744 3.140 10 10 DGCE O=C(C=Cc1cccc(O)c1)NCCCSc1nccs1 2310503498 AIFFJYWKJCWYLK-UHFFFAOYSA-N 320.439 3.161 10 10 DGCE Cc1ccc2nc(CC(=O)O)c(N=Nc3ccc(O)cc3)n2c1 2318380422 UMENDTDNPNXTKX-UHFFFAOYSA-N 310.313 3.391 10 10 DGCE Cc1ccc(NC(=O)NCCSCc2nc[nH]c2C)cc1 19201640 ANQQIBWGOOANQC-UHFFFAOYSA-N 304.419 3.081 10 10 DGCE CC[C@H](Nc1cnn(C)c1)c1cc(Br)ccc1O 35737713 HUIFVQMQVWYRCQ-LBPRGKRZSA-N 310.195 3.451 10 10 DGCE NC[C@@H]1c2cc(Cl)ccc2CN1c1ccc2c(c1)OCO2 71683196 FSKROWYAPQJERN-CQSZACIVSA-N 302.761 3.089 10 10 DGCE Cc1cnc(NCc2cc(N)ccc2O)c(Br)c1 97845686 PQLNSFHCSCMUCT-UHFFFAOYSA-N 308.179 3.052 10 10 DGCE Cc1cccc(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)n1 130589332 OXFUAXUFTPQOAN-UHFFFAOYSA-N 320.396 3.123 10 10 DGCE Cc1cc(OCCC(F)(F)F)ccc1N1CCCNCC1 157876442 WFIOROOPQRANAM-UHFFFAOYSA-N 302.340 3.126 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)c1cnc(N)c(Cl)c1 170732353 JAQUWBKOZPCLGW-UHFFFAOYSA-N 319.792 3.075 10 10 DGCE CC(=O)N(C(=O)Nc1ccccc1S)c1ccc(N)cc1 217302782 ALJUINBXTAQSHS-UHFFFAOYSA-N 301.371 3.143 10 10 DGCE C[C@@H]1OCC[C@@H]1N(C)c1ccc([C@@H](C)N)c(Br)c1 300519364 UGBIOUMPNMKXPW-BFVZDQMLSA-N 313.239 3.082 10 10 DGCE Cc1cc(CNC(C)C)ccc1N(CCO)Cc1ccccc1 302931637 FCCYOCWRHQCQAU-UHFFFAOYSA-N 312.457 3.492 10 10 DGCE CCOc1cccc(CN2CC[C@@H](Cc3ccncc3)C2)c1O 378627545 AZGVQRLRWHBVHH-INIZCTEOSA-N 312.413 3.251 10 10 DGCE CN(CCC1CC1)c1cc(Br)c(CN)cc1F 383814100 GOZBNJNPZJOUPL-UHFFFAOYSA-N 301.203 3.283 10 10 DGCE c1cc(N2CCCCC2)ccc1CN[C@H]1CCN2CCC[C@@H]2C1 393443736 ZYZPXCLEBASQDT-AZUAARDMSA-N 313.489 3.393 10 10 DGCE CC(C)[C@@H]1C[C@@H](NCc2ccc(Br)cc2O)CO1 691467266 NHVNPHUTSALKKP-OCCSQVGLSA-N 314.223 3.058 10 10 DGCE COc1ccc([C@@H](C)NCCSCC(F)(F)F)c(O)c1 698960074 VAYGJQLMVYJTNR-SECBINFHSA-N 309.353 3.347 10 10 DGCE Oc1cc(Br)ccc1CNCCCc1ccccn1 701014846 LFDUKNWOIQRNOD-UHFFFAOYSA-N 321.218 3.272 10 10 DGCE CC(C)[C@H]1C[C@@H](NCc2c(O)cccc2Br)CO1 706824839 KHDTZZXSTMXSEK-QMTHXVAHSA-N 314.223 3.058 10 10 DGCE CN[C@H](C)c1ccc(N2CCS[C@H](C(F)(F)F)C2)cc1 721391377 UFCNHCKWFINTJX-MFKMUULPSA-N 304.381 3.451 10 10 DGCE O=C(O)[C@@H](O)c1ccc2c(O)c(SC(F)(F)F)sc2c1 725308117 HIUYSNMHZPRJDT-ZETCQYMHSA-N 324.301 3.337 10 10 DGCE CCOc1ccc(CN[C@@H](C)c2ccncc2OC)c(O)c1 782543990 BZLKYHJDMSHDAC-LBPRGKRZSA-N 302.374 3.045 10 10 DGCE C[C@@H]1C[C@@H](C)[C@@H](C)N(Cc2ccc(N3CCOCC3)cc2)C1 789587532 YOYKHIJIIGMRQA-BRWVUGGUSA-N 302.462 3.390 10 10 DGCE CC(C)(NC(=O)NCc1ccc(N2CCCC2)cc1)C(F)F 792027009 FGCHGMOWTZORBT-UHFFFAOYSA-N 311.376 3.130 10 10 DGCE C[C@@H]1CCN(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 800012707 OOUMURDICYLEIV-CQSZACIVSA-N 301.434 3.179 10 10 DGCE C[C@@H]1Cc2cccc(C(=O)NCc3ccc(N(C)C)cc3)c2O1 823729455 HAHDKYFGKVRCNB-CYBMUJFWSA-N 310.397 3.006 10 10 DGCE CC1(C)OCc2c(NCc3ccccc3O)nc(Cl)nc21 827506402 QLYWZQLWYRKACP-UHFFFAOYSA-N 305.765 3.213 10 10 DGCE Cc1cc(O)c(CNc2nnc([C@H]3CCCO3)o2)c(Cl)c1 840879596 QKRRTKBPELNHLB-GFCCVEGCSA-N 309.753 3.201 10 10 DGCE C[C@@H](NCC[C@@]1(C)CC1(F)F)c1cc([N+](=O)[O-])ccc1O 850536901 OWAJJKFSTJJGKI-RNCFNFMXSA-N 300.305 3.386 10 10 DGCE COC(=O)c1ccc(O)c([C@H](C)NC[C@H]2C(C)(C)C2(F)F)c1 850553206 UAFAJBYLDWUHQA-ZANVPECISA-N 313.344 3.121 10 10 DGCE COc1ccc(N2CC[C@@H](Nc3cc(C)nc(C4CC4)n3)C2)cc1 853758746 JYSNMFHGKJQVNK-OAHLLOKOSA-N 324.428 3.362 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)C[C@@H](C)CC(C)C)C2)cc1 855231608 WXPMBQBNCJDKGN-HOTGVXAUSA-N 318.461 3.462 10 10 DGCE O=[N+]([O-])c1cc(Cl)cc(CNCC[C@H]2CC2(F)F)c1O 856802833 YZIUZSLHGLGWKT-QMMMGPOBSA-N 306.696 3.089 10 10 DGCE CCO[C@@H](CN(Cc1ccccc1O)C[C@@H]1CCCO1)C1CC1 859191131 WQKXZRNMAFJBKC-HKUYNNGSSA-N 319.445 3.188 10 10 DGCE CC(C)COc1ccccc1NC[C@@H](O)C[C@@](C)(O)C1CC1 872212465 GXYSXVZUJZUNSW-MAUKXSAKSA-N 307.434 3.045 10 10 DGCE Cc1ccc(O)c([C@H](C)NC[C@H]2CC[C@H](C(F)(F)F)O2)c1 903180304 YWHRDTKWZKNJQU-MISXGVKJSA-N 303.324 3.461 10 10 DGCE CC(=O)CCCCCNC(=O)c1cc2cc(O)c(O)cc2s1 909113083 OQJPTTNEQKDGMG-UHFFFAOYSA-N 321.398 3.192 10 10 DGCE CC(C)OC1CCC(NC(=O)NCc2c(O)cccc2F)CC1 921606546 QBVNGJQFJSXFOR-UHFFFAOYSA-N 324.396 3.067 10 10 DGCE C[C@@H](N[C@H]1C[C@@](CN)(c2ccccc2)C1)c1ccc(N(C)C)cc1 925887750 LTCDGOOUPJCUIV-BSIFCXSSSA-N 323.484 3.462 10 10 DGCE Cc1ccc(O)c([C@@H](C)NCC[C@H](N(C)C)C(F)(F)F)c1 926966240 ZILJZUKALZMCBV-RISCZKNCSA-N 304.356 3.234 10 10 DGCE C[C@@]1(CC(=O)NCc2c(O)cccc2F)CC1(Cl)Cl 928705018 CBJIIVWLYORBIA-GFCCVEGCSA-N 306.164 3.122 10 10 DGCE C[C@H](NC(=O)NCc1c(O)cccc1F)[C@@]12CCCC[C@H]1C2 1234447721 SEJHRCQTHDCKCD-PRXAMGSTSA-N 306.381 3.299 10 10 DGCE COc1ccc(CN[C@@H](C)CCNC(=O)CC2CCC2)cc1C 1267127062 JDVVNYIDYAWRDT-HNNXBMFYSA-N 318.461 3.178 10 10 DGCE C[C@@H](NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccccc1O 1308010404 MMDYCYWPVPOIHP-SNVBAGLBSA-N 312.329 3.028 10 10 DGCE CN(CCOC1CCOCC1)c1ccc(-c2nccs2)cc1 1351397194 VHSLJPBRVUJVGN-UHFFFAOYSA-N 318.442 3.442 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@H](C)O[C@H]2C)cc1 1535054366 VLBPSPZRPRFIRD-RLFYNMQTSA-N 312.413 3.390 10 10 DGCE c1cc(N2CCOCC2)ccc1CNC[C@H]1C[C@H]1C1CCCC1 1621107761 YPKBEQNULBQDNF-QUCCMNQESA-N 314.473 3.439 10 10 DGCE CCCN1CCC[C@H](C(=O)N(CCC)Cc2ccccc2O)C1 1631159030 HBFPOKSYFKIUQN-KRWDZBQOSA-N 318.461 3.253 10 10 DGCE Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)c(O)c1O 1632034154 WIGVAMSTGLAUQC-GDBMZVCRSA-N 311.381 3.472 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@@H]1C=CCC1 1636267984 XBQVIHXAPLDFIF-JKSUJKDBSA-N 315.461 3.257 10 10 DGCE CC(=O)c1cc(Cl)cc(CN[C@@H](C(C)C)C(C)(C)O)c1O 1643020785 MCTJINYUFJASOB-HNNXBMFYSA-N 313.825 3.133 10 10 DGCE Nc1nc(Br)ccc1CSc1nccs1 1651774916 QKPSIASBWSOKLU-UHFFFAOYSA-N 302.222 3.175 10 10 DGCE COC(=O)COc1ccc(N(C)C[C@@H]2CC[C@@H]3C[C@H]3C2)cc1 1658211506 QCOWLRKIACNXSP-RBSFLKMASA-N 303.402 3.111 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(Cc2nc(Br)cs2)C1 1902657477 XTJVMWKKHXNNEG-ZETCQYMHSA-N 302.201 3.180 10 10 DGCE CCSCCNCc1ccc(C)c(Br)c1O 1905180369 XPWNIYUHRFNCII-UHFFFAOYSA-N 304.253 3.306 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1C=CC[C@@H]([C@@H](N)c2ccccc2O)C1 1936976806 UPQQMCVEDHDJOL-XJKCOSOUSA-N 318.417 3.252 10 10 DGCE CC1(C)[C@@H](NCc2ccc(Br)cc2O)C1(F)F 1948207738 XBFRDRQMCKGIMK-SNVBAGLBSA-N 306.150 3.288 10 10 DGCE CN(C)c1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)CCN2)cc1 1951983981 RNLBNMYSRRDIDG-INIZCTEOSA-N 319.449 3.024 10 10 DGCE CC(C)(C)OC(=O)N1CC(N(CCCN=[N+]=[N-])C2CCC2)C1 1962288585 YNFJKOQXJCAYEN-UHFFFAOYSA-N 309.414 3.161 10 10 DGCE C[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)CCN1CCCN=[N+]=[N-] 1962302508 ZCWYTZULZBUEGL-CHWSQXEVSA-N 311.430 3.407 10 10 DGCE Cc1ccc(O)c([C@H](C)N[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)c1 1973223471 XEJAAVPEFHDZOH-YDHLFZDLSA-N 320.433 3.264 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@H]2Nc1c(N)cccc1F 1977678593 QHMWXXWZMQATPJ-UHIISALHSA-N 321.396 3.218 10 10 DGCE C[C@H](CCCN)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 1977910475 GESQNXGPUJBEMM-CQSZACIVSA-N 321.465 3.275 10 10 DGCE CCC[C@@H](O)CN(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 1977922401 GVSDMHKFXVEZDP-MRXNPFEDSA-N 322.449 3.309 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H]2C[C@]1([C@@H](N)c1ccccc1O)C2 1989673630 KZZSDHMNKMCVJO-XLWVJDPXSA-N 318.417 3.182 10 10 DGCE Oc1ccc(Br)cc1CN[C@@H]1C[C@@]12CC2(F)F 2004618280 FLKCNBXMTRQVDQ-GHMZBOCLSA-N 304.134 3.042 10 10 DGCE N[C@@H]1CCc2cc(N3C[C@H]4C[C@H]3CN4Cc3ccccc3)ccc21 2012699982 HPQIGBWKFNXVNB-SVFBPWRDSA-N 319.452 3.096 10 10 DGCE CN(C[C@@H]1CC[C@@H]2C[C@H]21)c1ccc(CN)cc1Br 2040241984 WIYQRMXEBAETES-FRRDWIJNSA-N 309.251 3.390 10 10 DGCE CCNCc1ccc(N2CC3CC(C3)C2)cc1Br 2045330482 WRGWWTFYAQCOTR-UHFFFAOYSA-N 309.251 3.405 10 10 DGCE CCC[C@H]1C[C@H](NCc2ccc(Br)cc2O)CO1 2065792362 TVQOXLYPSPHTMP-STQMWFEESA-N 314.223 3.202 10 10 DGCE CCOC(=O)c1cc(CC)nn1[C@@H](C)c1c(O)cccc1F 2069893052 YLXDEDRNXHLYHD-JTQLQIEISA-N 306.337 3.076 10 10 DGCE CC[C@@H](c1cc(C)c(C)cc1O)n1nc(C(C)C)c(CO)c1N 2079972797 ZZLHSFPJZVKIJM-HNNXBMFYSA-N 317.433 3.403 10 10 DGCE CN(C)c1ccc([C@@](C)(O)c2ccncc2Br)cc1 2120097009 QYFMCJAKIVSRKN-OAHLLOKOSA-N 321.218 3.166 10 10 DGCE O=[N+]([O-])c1ccc(Sc2ncc(CNC3CC3)s2)cc1 2155329035 SAMGXYYCWXNPHZ-UHFFFAOYSA-N 307.400 3.455 10 10 DGCE C[C@H](N)c1cc(F)c(N2CC[C@@H](P(C)(C)=O)C2)c(F)c1 2194703255 SNKKQJROOVSVPZ-GXSJLCMTSA-N 302.305 3.186 10 10 DGCE CN[C@H](C)c1ccc(N(C)[C@H]2COCC2(F)F)c(Cl)c1 2197010152 FTGIXESBTDXUBK-RNCFNFMXSA-N 304.768 3.091 10 10 DGCE O=C(O)[C@@H]1[C@H]2CC[C@@H](C2)N1Cc1cc(Cl)cc(Cl)c1O 2201096843 UKUMNJKPAMGKPQ-JWYUURKGSA-N 316.184 3.137 10 10 DGCE CN[C@@H]1CCc2cc(N(C)C3CSCCSC3)ccc21 2237077849 FLTAEURKZCLXTP-MRXNPFEDSA-N 308.516 3.178 10 10 DGCE C[C@@H]1COC(C)(C)CN1Cc1ccc(Br)cc1O 2256719475 FOKUNBFXUBHHQV-SNVBAGLBSA-N 314.223 3.154 10 10 DGCE CSc1ncc(CNCc2cnc3ccccc3n2)s1 2284640242 XPJLSEKRRHHXIA-UHFFFAOYSA-N 302.428 3.098 10 10 DGCE CSc1ncc(CN[C@@H]2CCC[C@H]2[C@@H]2CCCCN2)s1 2284687296 FPTJYNCYYCJPFF-MELADBBJSA-N 311.520 3.265 10 10 DGCE CSc1ncc(CN[C@@H]2[C@@H](CN)CCCC23CCC3)s1 2284701929 DUGQXMHULKAJTF-DGCLKSJQSA-N 311.520 3.252 10 10 DGCE Cc1ccc(CN2CC[C@@H]3C[C@@]3(F)C2)c(O)c1Br 2327603269 OUKXXNQVFCGTOT-BXUZGUMPSA-N 314.198 3.397 10 10 DGCE CCC[C@H]1CCOCC[C@@]1(Sc1nccs1)C(=O)O 2351878337 OUWDXUKVFNRBOC-GWCFXTLKSA-N 301.433 3.285 10 10 DGCE Cn1nc(C(F)F)c(CN2CCC[C@@H](N=[N+]=[N-])C2)c1Cl 2364934310 WXISBOCYNYYOKF-SSDOTTSWSA-N 304.732 3.286 10 10 DGCE CC[C@@]1(C)C[C@H]1C(=O)N1CCCN(c2ccc(OC)cc2)CC1 177207764 YRNKPKQDLVIDGQ-HKUYNNGSSA-N 316.445 3.170 10 10 DGCE CC(C)N(Cc1ccccc1)c1ccc2c(c1)N(C)C(=O)[C@H]2N 303394370 RQDYKLIKNIAOQM-SFHVURJKSA-N 309.413 3.078 10 10 DGCE C[C@H]1c2ccccc2O[C@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 117747302 HRPRENCQDFEVNI-IFXJQAMLSA-N 324.424 3.276 10 10 DGCE Cc1ccc(CC(=O)N2CCOc3cc(N(C)C)ccc32)s1 173186692 NABVFWUPDFTCPH-UHFFFAOYSA-N 316.426 3.091 10 10 DGCE CCCOc1ccc(CN[C@@](C)(CCC)C(=O)OC)c(O)c1 184048402 JJOSPXUIRSZNES-KRWDZBQOSA-N 309.406 3.002 10 10 DGCE Oc1c(Br)cccc1CNCC[C@H]1CCCOC1 527737768 JTXWPYUQCCBZQJ-LLVKDONJSA-N 314.223 3.061 10 10 DGCE [N-]=[N+]=NCCNC(=O)c1cc(Br)ccc1Cl 42012638 MXKCEOVUHOADCZ-UHFFFAOYSA-N 303.547 3.143 10 10 DGCE CN(C)c1ccc(CNC(=O)C2(c3ccc(F)cc3)CC2)cc1 44333221 JFJCYOKASAMHBP-UHFFFAOYSA-N 312.388 3.240 10 10 DGCE CNCc1ccc(N(C)CCOC(C)C)cc1Br 234403456 SFGFPQXWMDTPHS-UHFFFAOYSA-N 315.255 3.030 10 10 DGCE Cc1ccnc(CNC(=S)Nc2cc(Cl)ccc2O)c1 244017678 SOPMKUFUTRMWNF-UHFFFAOYSA-N 307.806 3.236 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CCO[C@H]3CCCC[C@H]32)c1O 249892139 UADBKVNAUDJEMW-CVEARBPZSA-N 323.820 3.392 10 10 DGCE Oc1cc2c(cc1CNCCc1ccc3ccccc3n1)OCO2 725850063 IBMYFKLEYXNMJI-UHFFFAOYSA-N 322.364 3.001 10 10 DGCE O=C1C[C@@H](c2cccc(N[C@H]3CCc4cccc(O)c43)c2)CN1 834755386 FVTXGVFFDDIFDA-ZBFHGGJFSA-N 308.381 3.095 10 10 DGCE CN(C)c1ccc(/C=C\CNc2ccc(OCCO)cc2)cc1 835031841 NOUANEZSHXIMQB-ARJAWSKDSA-N 312.413 3.249 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@@H]2CCOC3(CCC3)C2)cc1 835043465 RDTRKMWPNFLIFQ-NJELEJDNSA-N 300.446 3.457 10 10 DGCE CC1(C)CC[C@H]1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 830899529 GNQPFGYWYXHEAH-HOTGVXAUSA-N 317.429 3.336 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCC2(CC2)C1 831923948 AFJTVJLMVXEZLS-TZMCWYRMSA-N 303.402 3.115 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@H]1C1CC1 840484123 MXZBPHIQLJGELQ-KSSFIOAISA-N 315.461 3.186 10 10 DGCE Cc1cc(N(C)C)ccc1CN1CCC[C@@H]([C@@H]2CCOC2)C1 840920811 JYWIZTZWFKFXNW-QZTJIDSGSA-N 302.462 3.310 10 10 DGCE Cc1cc(C)c(O)c(CN2C[C@@]34CCCC[C@]3(COC4)C2)c1 853623125 DXZLSMAODBURPT-RTBURBONSA-N 301.430 3.402 10 10 DGCE CN(C)c1cc(F)c(CN[C@H](C2CC2)[C@H]2CCCOC2)cc1F 922896822 PJAKIIGJTPBXGE-SCLBCKFNSA-N 324.415 3.326 10 10 DGCE COC(=O)C1=CC[C@@H](N[C@@H](C)c2cc3c(cc2O)CCCC3)C1 858473533 PBVKXDDZFGVHQK-BLLLJJGKSA-N 315.413 3.183 10 10 DGCE COC(=O)c1ccc(O)c([C@H](C)N[C@H]2CC3CCC2CC3)c1 756845333 UBNCTLCQNSGEFS-ITDKRANNSA-N 303.402 3.408 10 10 DGCE COc1cc(O)c(CN[C@@H](c2cccnc2)C2CC2)cc1OC 776252408 CPGWFLXYXPWIIZ-GOSISDBHSA-N 314.385 3.045 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N=c2sccn2C)cc1 1124207839 AMCWBVNFNNNHPL-UHFFFAOYSA-N 311.410 3.235 10 10 DGCE N[C@@H]1CN(c2ccc(OCc3ccccc3)cc2)C[C@@H]1C(F)F 1899861722 KGRLYCMOMRRQIY-DLBZAZTESA-N 318.367 3.294 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)N1CC2(CC2)Oc2ccccc21 1304758741 ZRWWZZWXHXTFLP-SOFGYWHQSA-N 323.348 3.069 10 10 DGCE CCN(CCCN=[N+]=[N-])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1962303206 FXOYDIKBRDVCQB-ZDUSSCGKSA-N 311.430 3.408 10 10 DGCE C[C@@H](SCc1ccccc1)C(=O)NCc1c(O)cccc1F 1303878594 OEMZLGPOSQXGTM-GFCCVEGCSA-N 319.401 3.469 10 10 DGCE CCC1(CC)[C@H](NC(=O)N[C@@H](C)c2ccccc2O)C[C@H]1OC 1312347035 CFTHRYDYTIROAV-APHBMKBZSA-N 320.433 3.346 10 10 DGCE CN(C[C@@H]1C[C@H]1C1CC1)c1ccc(CN)cc1Br 698339772 RTMHUNCNAJHPGA-STQMWFEESA-N 309.251 3.390 10 10 DGCE C[C@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)[C@@H]1CCCO1 1264286944 DPJFFIMPOMDHQI-YJBOKZPZSA-N 316.445 3.060 10 10 DGCE CN(C(=O)/C=C/c1cnc2ccccc2n1)c1cccc(Cl)n1 1528249819 PBLMNVMIAZENGL-MDZDMXLPSA-N 324.771 3.354 10 10 DGCE CCC/C=C\[C@H](O)C(=O)N(CCCC)Cc1ccccc1O 1297004921 DJCITHJRAOMKEV-PJCWUCBCSA-N 305.418 3.238 10 10 DGCE C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 1532654730 BLSIFIOWPYRXQD-IXYNUQLISA-N 314.429 3.160 10 10 DGCE CC(=O)N1CCc2c(NCc3cc(F)c(F)cc3O)cccc21 1474464455 BFPQQLUDXORETP-UHFFFAOYSA-N 318.323 3.192 10 10 DGCE O=C(/C=C/c1cccs1)NCc1ccc2cccnc2c1O 1557122264 FZYSRXARWFPTKA-BQYQJAHWSA-N 310.378 3.332 10 10 DGCE C[C@]1(C(=O)NCc2cc(O)ccc2O)CCCc2ccccc21 1558174069 CVIGLCNWCOMIDK-IBGZPJMESA-N 311.381 3.008 10 10 DGCE COC(=O)[C@H](NCc1ccc(N2CCCCC2)c(C)c1)C(C)C 1560164589 CUUDPWZEYCJBCJ-GOSISDBHSA-N 318.461 3.273 10 10 DGCE O=C(NCc1cccc(Cl)c1O)c1nc(Cl)ccc1F 1648606242 LICANZZKCGEUQU-UHFFFAOYSA-N 315.131 3.163 10 10 DGCE Cc1c(CC(=O)N[C@@H](C)c2ccccc2O)cccc1[N+](=O)[O-] 1648891535 ASOGRPBHUQMKJP-LBPRGKRZSA-N 314.341 3.029 10 10 DGCE CCN(CC)c1ccc(Cn2c(C)nnc2N2CCCC2)cc1 1766608865 RTAYTUOZANSEQT-UHFFFAOYSA-N 313.449 3.081 10 10 DGCE Nc1ccc(OCC(=O)OCc2ccc(Cl)cc2F)cc1 163874187 NOPYRJMMUYVZOP-UHFFFAOYSA-N 309.724 3.184 10 10 DGCE Cc1cc(N(C)Cc2nccn2Cc2ccccc2)ccc1CN 1915033649 KPULWRHCZSKHHI-UHFFFAOYSA-N 320.440 3.335 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](NCc2ccccc2O)C12CC2 1925692045 JPFSBVKWYFTFJB-HNNXBMFYSA-N 318.417 3.024 10 10 DGCE CCN[C@H](c1ccccc1O)[C@H](C)N(C)C(=O)OC(C)(C)C 1928469519 IVIZKJXBJTYOCG-WFASDCNBSA-N 308.422 3.298 10 10 DGCE COc1ccc(N2CCN(CCC(F)(F)Cl)CC2)cc1 2143461450 PYNXHCRUUHUKCU-UHFFFAOYSA-N 304.768 3.039 10 10 DGCE CN1CCCc2cc(N(CCCN)Cc3ccccc3)ccc21 1977934966 MRKCKBVWTVAXSL-UHFFFAOYSA-N 309.457 3.424 10 10 DGCE CN1CCCc2cc([C@@H](O)CCNCc3ccccc3)ccc21 1977937783 ZQIHVVOVQKSDCO-FQEVSTJZSA-N 310.441 3.282 10 10 DGCE [N-]=[N+]=NC[C@H]1CCCN1Cc1cc(Br)sn1 1994459513 JKIHELBIDNGUGD-MRVPVSSYSA-N 302.201 3.180 10 10 DGCE C[C@H]1CCOC[C@H]1N(C)Cc1cccc(Br)c1O 2035126440 SGYOCIPYCLVSRW-GXFFZTMASA-N 314.223 3.012 10 10 DGCE CC(C)NCc1ccc(N2CC(CF)C2)cc1Br 2041178166 PZMBPAJSVYVORC-UHFFFAOYSA-N 315.230 3.353 10 10 DGCE Nc1ncc(F)cc1OCc1cc(Br)ccc1F 723416727 KEKQCPDCQJHWFB-UHFFFAOYSA-N 315.117 3.284 10 10 DGCE CS[C@@H]1CC[C@@H]1NCc1cc(Br)cc(F)c1O 715739312 SNJBTBYKMSNCMF-WDEREUQCSA-N 320.227 3.277 10 10 DGCE Oc1c(F)cc(Br)cc1CN[C@@H]1C[C@@H]1C1CC1 715744633 JNFGMIKARRRLHM-ZYHUDNBSSA-N 300.171 3.182 10 10 DGCE CCNCc1cc(F)c(N2CCC[C@@H](SC)C2)c(F)c1 394865567 IXFBBNFWCTWBSZ-GFCCVEGCSA-N 300.418 3.406 10 10 DGCE CC(C)N[C@]1(C(=O)O)C[C@H](Sc2nccs2)CC[C@@H]1C 2175748337 YUIXOFFQVRSOPB-MISXGVKJSA-N 314.476 3.245 10 10 DGCE CN(c1cc(Cl)c(CN)cc1F)C1(CO)CCCCC1 2177381820 RHKDEGAVEUABBU-UHFFFAOYSA-N 300.805 3.069 10 10 DGCE C[C@@H](NC(C(F)(F)F)C(F)(F)F)c1ccc(O)cc1O 2183912284 NOSCBDJZQZRGAV-RXMQYKEDSA-N 303.202 3.242 10 10 DGCE C[C@H](N)c1ccc(N(C)C[C@@H]2C[C@@H]2F)cc1Br 1908963700 CSAAUTQFAMJFPP-RVBZMBCESA-N 301.203 3.263 10 10 DGCE Oc1cccc(Br)c1CNC[C@H]1C[C@H]1C(F)(F)F 2041780214 OKTYTTROKFOOPI-VXNVDRBHSA-N 324.140 3.443 10 10 DGCE Cc1nc([C@@H](O)c2ccc(N(C)C)cc2)ccc1Br 2100778353 QUQUCEZIXGMQTH-HNNXBMFYSA-N 321.218 3.300 10 10 DGCE Oc1cc(Br)ccc1CNCc1ncc(C2CC2)o1 2104339014 GVBCTEZIDJQALH-UHFFFAOYSA-N 323.190 3.310 10 10 DGCE COc1cc(Cl)cc(CN[C@@H](C)[C@@H]2CCSC2)c1O 2089896794 FEEGVYPVPUGBPL-VHSXEESVSA-N 301.839 3.285 10 10 DGCE Cc1nc(Nc2ccc(N)cc2)c([N+](=O)[O-])cc1Br 2096781607 RYEQHAKAOVGVGO-UHFFFAOYSA-N 323.150 3.387 10 10 DGCE Cc1cccc(CNC(=O)c2ccnc(Cl)c2Cl)c1O 2204628858 BRCYKOITXXFSQG-UHFFFAOYSA-N 311.168 3.332 10 10 DGCE COc1ccc(Br)c(CNCc2ccco2)c1O 2220462483 MFCOYSZFWJJXCH-UHFFFAOYSA-N 312.163 3.046 10 10 DGCE CN(Cc1ccc(Cl)cc1O)C[C@H](F)C1CCOCC1 2238363670 AKMVQDZLGGVJDU-AWEZNQCLSA-N 301.789 3.242 10 10 DGCE CS[C@@H]1CC[C@@H]1NCc1ccc(C)c(Br)c1O 2307479509 JGZUADCSZGDJQG-WDEREUQCSA-N 316.264 3.447 10 10 DGCE Cc1ccc(CNC[C@H]2CCSC2)c(O)c1Br 2307478625 ZLROGQRGUBIVNU-SNVBAGLBSA-N 316.264 3.306 10 10 DGCE Cc1ccc(/C=C2/SC(=S)N(CN3CCCC3)C2=O)cc1 33850045 NGJMSJWTHLBAHC-GXDHUFHOSA-N 318.467 3.250 10 10 DGCE COc1ccc(N2CCN(CCc3ccccc3)CC2)cc1F 59569865 BMTOPEHIBBYPGA-UHFFFAOYSA-N 314.404 3.199 10 10 DGCE COc1cc(OC)c(N2CCC[C@@H](NC3CC3)C2)cc1Cl 71198072 YJZZHMZZTQYWDY-GFCCVEGCSA-N 310.825 3.078 10 10 DGCE CN(C)c1ccc([C@@H]2CC(c3ccccc3)=NN2C(N)=S)cc1 72413043 JYKCBDMBZFRJBB-KRWDZBQOSA-N 324.453 3.147 10 10 DGCE CCn1nc(C)c(Br)c1CN(C)c1ccc(N)cc1 89279628 NXNWPNVMYQEJFR-UHFFFAOYSA-N 323.238 3.193 10 10 DGCE CSCC[C@@H](C)N(C)Cc1ccc(N2CCOCC2)cc1 93558730 VKMFTQKGSTVTJS-OAHLLOKOSA-N 308.491 3.097 10 10 DGCE CN(C)c1ccc(CN2CCO[C@H](c3ccsc3)C2)cc1 93768094 ZPINXTLUUFUSOJ-KRWDZBQOSA-N 302.443 3.388 10 10 DGCE CN1C(=O)/C(=C/c2cnn(Cc3ccccc3)c2)c2ccccc21 96919816 PRBIFNMFJBGFFQ-WOJGMQOQSA-N 315.376 3.448 10 10 DGCE CC(C)(C)C[C@H](CO)NCc1cc(Br)ccc1O 121320627 PORYQCPKGFTWHH-GFCCVEGCSA-N 316.239 3.041 10 10 DGCE C[C@@H](N)c1ccc(N2CC[C@@H]3[C@H](CCCN3C)C2)c(Cl)c1 166674757 XDJOCNJMBOCPLG-XNRPHZJLSA-N 307.869 3.280 10 10 DGCE COc1cccc(CNC(=O)/C(C)=C/c2ccc(C)cc2)c1O 182507270 USPAHFDSVJKDEE-SDNWHVSQSA-N 311.381 3.429 10 10 DGCE COCc1nc(CN(c2ccc(OC)cc2)[C@H](C)C2CC2)no1 182604462 XBFWZPUNRIGTCD-GFCCVEGCSA-N 317.389 3.030 10 10 DGCE Cc1cc(O)c(CN[C@H]2CCc3cnn(C(C)C)c3C2)cc1C 365131179 HORZVNGARRJKAZ-KRWDZBQOSA-N 313.445 3.434 10 10 DGCE CC(C)(C)OC(=O)NC1CC(N[C@H]2CCc3cccc(O)c32)C1 393977436 XNJQTOIATBWTGZ-RUXDESIVSA-N 318.417 3.025 10 10 DGCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)c2ccc(Br)s2)C1 403728163 XPZLHCFDPRZGSN-SSDOTTSWSA-N 315.196 3.426 10 10 DGCE Nc1ccc(CNC(=O)c2cscc2Br)cc1 404719618 SYEDJKVLZSEJBW-UHFFFAOYSA-N 311.204 3.023 10 10 DGCE Cc1cc(C)c(O)c([C@@H](CC(=O)O)NC(=O)OC(C)(C)C)c1 687754538 KZZXVMOZBYJWFR-GFCCVEGCSA-N 309.362 3.050 10 10 DGCE COc1cccc(O)c1[C@@H](N)c1ccc(OC(F)(F)F)cc1 725275094 WTWYGZQDWKRLCJ-AWEZNQCLSA-N 313.275 3.348 10 10 DGCE CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H](C)[C@@H]1CCCO1 824234183 FWPHLLHOZFEVRU-QAPCUYQASA-N 318.461 3.306 10 10 DGCE CC1(C)CC[C@H]1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 830899528 GNQPFGYWYXHEAH-CVEARBPZSA-N 317.429 3.336 10 10 DGCE CC[C@H]1CC[C@H](NC(=O)NCc2ccc(OC)cc2O)CC1 838601612 KQTJFZXUSHSAMY-MQMHXKEQSA-N 306.406 3.169 10 10 DGCE C[C@@H](N[C@@H](CO)C1CCC1)c1ccc(N2CCCCC2)cc1 850486312 AREPDVXMEGKLHN-BEFAXECRSA-N 302.462 3.489 10 10 DGCE C[C@H](N[C@H]1C[C@@H](C)n2ncnc21)c1ccc2ccccc2c1O 850498776 DAIZTWWHEIAHKX-WQGACYEGSA-N 308.385 3.494 10 10 DGCE CC(C)(C)c1cccc2c1OCCN2C(=O)C=C1CCNCC1 852890481 NYTIUXQEYXHCEH-UHFFFAOYSA-N 314.429 3.019 10 10 DGCE C[C@@H](NC(=O)c1cc(O)cs1)c1ccc2c(c1)CCCO2 856494185 BGJYINMXAYOWPQ-SNVBAGLBSA-N 303.383 3.270 10 10 DGCE COc1ccc(N2CCC(N[C@@H]3[C@H](C)O[C@@H](C)[C@@H]3C)CC2)cc1 858283613 MNCQFFOSTYTKAU-XLPNERPQSA-N 318.461 3.066 10 10 DGCE O=C(NCC[C@H]1CCCS1)NCc1cc(Cl)ccc1O 868973845 LFMSKXYQRDIEBN-GFCCVEGCSA-N 314.838 3.131 10 10 DGCE CCc1nc[nH]c1C(=O)N(C)Cc1ccc(N(CC)CC)cc1 905457165 PLSQMRUPCQHKEX-UHFFFAOYSA-N 314.433 3.091 10 10 DGCE Cc1ccc(O)c(CNC(=O)[C@H]2CCOC3(CCCC3)C2)c1 913000564 NPBXEWSJYJBSRN-AWEZNQCLSA-N 303.402 3.056 10 10 DGCE C[C@H]1[C@H](C)CCC[C@H]1CNC(=O)NCc1c(O)cccc1F 1227439340 WCORREYKDUBYEN-AGIUHOORSA-N 308.397 3.403 10 10 DGCE Cc1ccc(O)c(CNC(=O)COC/C=C\c2ccccc2)c1 1584983857 TWPIHMZKWIDREI-YVMONPNESA-N 311.381 3.047 10 10 DGCE COc1ccc2cc(C(=O)N[C@@H](C)c3ccccc3O)[nH]c2c1 1642827917 VXNOKAJUIAZCLW-NSHDSACASA-N 310.353 3.373 10 10 DGCE CCN(CCN=[N+]=[N-])C(=O)C1CCN(Cc2ccccc2)CC1 1900609539 OIAWUKPYWHQDFU-UHFFFAOYSA-N 315.421 3.057 10 10 DGCE Cc1sc(Br)cc1C(=O)N1CC[C@H](N=[N+]=[N-])C1 1912183635 RUOPMWQWGSNXCR-ZETCQYMHSA-N 315.196 3.344 10 10 DGCE [N-]=[N+]=NCC1CCN(C(=O)c2cncc(Br)c2)CC1 1912186231 BETSQIJAPVUCBA-UHFFFAOYSA-N 324.182 3.007 10 10 DGCE CN[C@H](C)c1ccc(N(Cc2ccccc2)C[C@H](C)O)c(F)c1 1914617141 IAWGXPHNFZHTDL-LSDHHAIUSA-N 316.420 3.494 10 10 DGCE CC(C)(CCNCc1ccc(N)cc1)NC(=O)OC(C)(C)C 1929710793 LKMQUIOPFGZOOR-UHFFFAOYSA-N 307.438 3.052 10 10 DGCE CN[C@H](c1ccccc1O)[C@@H]1C=C[C@@H](NC(=O)OC(C)(C)C)C1 1936971949 BVPOKIWGXBAWQB-IOASZLSFSA-N 318.417 3.122 10 10 DGCE C[C@@H](O)c1ccc(N2CC=C(Br)CC2)c(F)c1 1943959630 UEEKEOCLVJTORV-SECBINFHSA-N 300.171 3.368 10 10 DGCE CNCc1ccc(N2CC[C@@](C)(F)C2)cc1Br 1946951621 WIIVCQSMGXVCQS-CYBMUJFWSA-N 301.203 3.107 10 10 DGCE [N-]=[N+]=N[C@H]1CCN(C(=O)c2cc(Br)cs2)C1 1981387095 BTYICZIPXXMTAG-ZETCQYMHSA-N 301.169 3.035 10 10 DGCE CN(CCC(C)(F)F)c1ccc(CO)c(Br)c1 2004471089 NIVVRCBQYZJKBM-UHFFFAOYSA-N 308.166 3.423 10 10 DGCE COc1ccc(N(C)C[C@]2(Br)CC2(F)F)cc1 2023776779 YOCVFXUWYLHURE-LLVKDONJSA-N 306.150 3.304 10 10 DGCE C[C@H]1CN(Cc2cccc(Br)c2O)[C@H](C)CCO1 2031606617 HVUJCSFMWFTXAH-MNOVXSKESA-N 314.223 3.154 10 10 DGCE CNCc1cc(-c2ccccc2)nn1Cc1c(C)cccc1O 2070077578 VAMHJZHXSAKWOU-UHFFFAOYSA-N 307.397 3.332 10 10 DGCE Oc1c(F)cc(Br)cc1CN[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2 2070884905 UHGHLKZGLKIPIJ-QVHYGWMKSA-N 312.182 3.038 10 10 DGCE CCc1nn([C@@H](C)c2cc(C)c(C)cc2O)c(Cl)c1CN 2079953591 XUGJDIIFXMZLOE-NSHDSACASA-N 307.825 3.489 10 10 DGCE C[C@H](N)c1ccc(N2C[C@](C)(Br)[C@](C)(F)C2)cc1 2084856076 LIPTXZMBWVWICF-LEWSCRJBSA-N 315.230 3.408 10 10 DGCE CNCc1ccc(N2C[C@](C)(F)[C@@](C)(Br)C2)cc1 2084857765 WWUQPIUUQDZAID-KBPBESRZSA-N 315.230 3.108 10 10 DGCE NCc1ccc(N2CCc3c(Br)cccc3C2)cc1 2093515398 AYGFJWMIXUZCMA-UHFFFAOYSA-N 317.230 3.471 10 10 DGCE CN(C)c1ccc([C@@H](O)c2sc(N(C)C)nc2Cl)cc1 2163070708 JANCNQPVXSBJDN-LLVKDONJSA-N 311.838 3.010 10 10 DGCE C[C@]1(O)C[C@H]2C[C@H]1C[C@H]2NCc1cc(Cl)cc(Cl)c1O 2178198202 RADPVPUGBZBTTD-RERXCJRKSA-N 316.228 3.338 10 10 DGCE CNCc1ccc(N(C)CP(C)(C)=O)cc1C(F)(F)F 2198577235 FISJNZYLAHCUKX-UHFFFAOYSA-N 308.284 3.441 10 10 DGCE N[C@H](CCCNC(=O)OCc1ccccc1)c1ccccc1O 2209262488 AEVJFXPZQOMNAK-MRXNPFEDSA-N 314.385 3.099 10 10 DGCE C[C@H]1[C@@H](N[C@H](C)c2ccccc2O)CCN1C(=O)OC(C)(C)C 2211055963 KLKSSYIJQPRCBZ-IPYPFGDCSA-N 320.433 3.441 10 10 DGCE CC1(C)[C@@H]2C[C@H]1CN(c1ccc(CO)cc1Br)C2 2221707138 LAXYQGOCNJXGHL-TXEJJXNPSA-N 310.235 3.424 10 10 DGCE Cc1ccc(CNC[C@H]2CC[C@H]2NC(=O)OC(C)(C)C)c(O)c1 2244713416 MHNVZIBBSIIMHO-UKRRQHHQSA-N 320.433 3.094 10 10 DGCE Cc1c(C=CC(=O)N(CC(F)F)c2ccc(F)cc2)cnn1C 2312245520 YYQMJQYOWWUOSF-UHFFFAOYSA-N 323.318 3.179 10 10 DGCE Cc1ccc(CN(C)CCC[C@@H](C)O)c(O)c1Br 2327623488 IHGRCZHKJFPIAU-LLVKDONJSA-N 316.239 3.056 10 10 DGCE CCCN1N=C(C)C(=Cc2ccc(OC(C)C)c(OC)c2)C1=O 2332125532 MFJXWQDXARLZEW-UHFFFAOYSA-N 316.401 3.494 10 10 DGCE Cc1ccc(CN(C)c2cn(C)nc2C)c(O)c1Br 2352638252 VQCPNHURXBEQIV-UHFFFAOYSA-N 324.222 3.141 10 10 DGCE Cc1ccc(CN(C)C(=O)[C@@H]2CC23CC3)c(O)c1Br 2352953690 VOMWVODSAMRJBM-NSHDSACASA-N 324.218 3.222 10 10 DGCE NCc1ccc(N2CCN(c3ccccc3)CC2)cc1Cl 61845567 MRANQUDVCDAYOB-UHFFFAOYSA-N 301.821 3.125 10 10 DGCE CCN(CC)c1ccc(CNC(=O)C2C[C@H](C)O[C@@H](C)C2)cc1 179443298 KNRDNAKMLAIJDM-GJZGRUSLSA-N 318.461 3.353 10 10 DGCE Nc1ccc(CCCSc2nnc3n2CCCCC3)cc1 122878538 UDESADOTCLQJHD-UHFFFAOYSA-N 302.447 3.312 10 10 DGCE CC(=O)c1cc(Cl)cc(CN2CCO[C@H]3CCCC[C@@H]32)c1O 120824746 UADBKVNAUDJEMW-HOTGVXAUSA-N 323.820 3.392 10 10 DGCE COCc1cc(F)ccc1NCc1cc(OC)c(OC)cc1O 186428234 YBHGCIWTECJAJG-UHFFFAOYSA-N 321.348 3.307 10 10 DGCE CN[C@H](C)c1ccc(N2CC[C@@H](SC(F)F)C2)cc1O 2365707421 MRUUPROKXOTESJ-MWLCHTKSSA-N 302.390 3.207 10 10 DGCE c1cc(N2CCOCC2)ccc1CN[C@H]1CC2CCC1CC2 320739388 SWUATHJMHMFYGZ-KVWWFHCMSA-N 300.446 3.192 10 10 DGCE C[C@@H](CN(C)Cc1ccccc1)N[C@@H](C)c1cc(O)ccc1O 381015877 UQTZCBFOHNTJIQ-GJZGRUSLSA-N 314.429 3.269 10 10 DGCE Cc1cccc(CN[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c1O 381346092 GQAAMONNQUKTLI-QWHCGFSZSA-N 308.422 3.092 10 10 DGCE Nc1ccc(OCc2nc(CSC3CCCC3)no2)cc1 87141755 YHUZNUORLBXNSG-UHFFFAOYSA-N 305.403 3.407 10 10 DGCE C[C@@H](N)c1ccc(N2CCN(Cc3ccccc3)C[C@H]2C)cc1 382724568 QQZJUUFHJNJXOW-IAGOWNOFSA-N 309.457 3.417 10 10 DGCE O=C(/C=C/c1cnc2ccccc2n1)N1CCCc2ncccc21 78404872 FTZMROSLVJYPIA-MDZDMXLPSA-N 316.364 3.017 10 10 DGCE CNCc1ccc(N(C)Cc2ccoc2)cc1Br 234409786 SPVGBIQGHOZSFS-UHFFFAOYSA-N 309.207 3.398 10 10 DGCE CCCOc1ccc(CN(C)[C@@H]2CCN(C)[C@@H](C)C2)c(O)c1 245742554 MBCAUUZWXDFRJQ-GOEBONIOSA-N 306.450 3.096 10 10 DGCE C[C@@H](N[C@@H]1C[C@H]2CC[C@H]1O2)c1cc(Br)ccc1O 248495106 KTJMBRDWEDEEGR-ZJIMWXPPSA-N 312.207 3.125 10 10 DGCE CC1=NC(=O)[C@@H](N=Nc2ccccc2C(=O)O)N1c1ccccc1 253978786 HJTDGVIUYDRAOX-HNNXBMFYSA-N 322.324 3.260 10 10 DGCE C[C@@H](Cn1cncn1)N[C@H](C)c1ccc(Cl)c(Cl)c1O 273551127 FXRMHHNTEPEYLW-DTWKUNHWSA-N 315.204 3.030 10 10 DGCE Cc1ccccc1[C@@]1(F)CCN(C(=O)c2cccc(O)c2O)C1 374475876 NRIYBEQWORRBKY-GOSISDBHSA-N 315.344 3.117 10 10 DGCE CC[C@H](NC[C@H](O)c1ccccc1OC)c1ccc(F)cc1O 285541490 CCNKVKWNKYAFFM-RDJZCZTQSA-N 319.376 3.314 10 10 DGCE COc1cc2c(cc1F)CC[C@@H]2NCc1cccc(OC)c1O 800898293 CYRCPJRTQXJWKT-HNNXBMFYSA-N 317.360 3.326 10 10 DGCE C[C@H](NC(=O)[C@H]1CCc2cccc(O)c21)c1ccc(N(C)C)cc1 816180115 FURLEZLTLFRCCW-GUYCJALGSA-N 324.424 3.365 10 10 DGCE C[C@H](NC[C@@H]1CC12CCSCC2)c1cc([N+](=O)[O-])ccc1O 817589217 MGWIFUDGPBCRGK-RYUDHWBXSA-N 322.430 3.484 10 10 DGCE CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCC[C@H](C)O1 822411895 QNVFUENYRNMANZ-GOEBONIOSA-N 320.433 3.271 10 10 DGCE CC(C)O[C@]1(CN[C@@H](C)c2ccc(Cl)cc2O)CCOC1 903358747 YWLUHNFIYBCSIJ-LRDDRELGSA-N 313.825 3.280 10 10 DGCE CC(C)C1CC(NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 839145212 NWIUMOMVSWGBLN-UHFFFAOYSA-N 324.415 3.326 10 10 DGCE CN(C)c1ccc(/C=C\CN2CCOC[C@@H]2c2ccco2)cc1 835030247 WHSABLZGDCIGSK-LKIHTYOGSA-N 312.413 3.432 10 10 DGCE CN(C)c1ccc(/C=C/CNCCCN2CCCCC2)cc1 835035051 DKGVSSVDPZQVLO-SOFGYWHQSA-N 301.478 3.231 10 10 DGCE CN1CCC[C@]2(CCN(C/C=C/c3ccc(N(C)C)cc3)C2)C1 835055624 LVVDZWJBCMFFPT-XXIDSNJLSA-N 313.489 3.184 10 10 DGCE Cc1ccc(C)c(N2CCN(C(=O)Nc3ccc(N)cc3)CC2)c1 841297441 FEUNCOJFXWMVRH-UHFFFAOYSA-N 324.428 3.240 10 10 DGCE COc1cccc([C@H](C)N[C@H](C)[C@@](C)(O)c2ccccc2)c1O 846189000 RVSSOBXHYNXTAO-IQUTYRLHSA-N 315.413 3.348 10 10 DGCE Cc1cc(O)c(CN2CCC[C@H]([C@@H]3CCCN3)C2)c(Cl)c1 843045986 SACSSDKKCSADLR-BBRMVZONSA-N 308.853 3.318 10 10 DGCE Cc1c(NCc2ccc(N3CCOCC3)cc2)n[nH]c1C(C)C 842749659 PYVYNEQGCWPOGV-UHFFFAOYSA-N 314.433 3.290 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCC[C@H](C)C3)C2)cc1 855230690 HXMLKHUMAJLPFP-XHSDSOJGSA-N 316.445 3.216 10 10 DGCE COc1ccnc(CNCc2c(O)cc(C)cc2Cl)c1F 850381224 XUFYNUQDJZQGCO-UHFFFAOYSA-N 310.756 3.187 10 10 DGCE COc1ccc(N2CC[C@H](N[C@@H](C)c3ccccc3O)C2)cc1 850489815 XEBZYAHFMNNNNZ-GJZGRUSLSA-N 312.413 3.330 10 10 DGCE C[C@@H](N[C@H]1CCCSCC1)c1ccc(N2CCOCC2)cc1 850427891 GKEBPEDMQWNFAO-WBVHZDCISA-N 320.502 3.460 10 10 DGCE Cc1ccc(O)c(CNC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)c1 862759484 DUYSLOHFXVBEOE-KGLIPLIRSA-N 317.335 3.399 10 10 DGCE COC(=O)N1CCC[C@H]([C@H](C)N[C@@H](C)c2cc(F)ccc2O)C1 775578223 IXALSBHGPSJRMA-AVGNSLFASA-N 324.396 3.049 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CN1CCO[C@@H]2CCC[C@@H]21 132758082 JZZSWFVTIMMKTK-QWHCGFSZSA-N 302.201 3.452 10 10 DGCE CCN(Cc1cn(C)nn1)Cc1cc(C)cc(C(C)(C)C)c1O 781580181 UQKZQXUZWFCYLV-UHFFFAOYSA-N 316.449 3.149 10 10 DGCE Cc1ccsc1[C@@H](CO)NCc1c(O)ccc(Cl)c1F 790972823 HVKHNRGKVQZMEG-LLVKDONJSA-N 315.797 3.378 10 10 DGCE CCO[C@H]1C[C@@H](NC(=O)c2sccc2-n2c(C)ccc2C)C1 1141956068 NXLNRQNNERUDMP-OKILXGFUSA-N 318.442 3.453 10 10 DGCE C[C@@H]1CN(c2ccc(N)cc2)CC[C@@H]1NC(=O)OC(C)(C)C 1959569367 SQKUSMWCSBNPAU-DOMZBBRYSA-N 305.422 3.008 10 10 DGCE N[C@@H]1CC[C@@H]2CN(c3ccc(OCc4ccccc4)cc3)C[C@H]21 1899859918 LPKBSKIUYLSANN-NSISKUIASA-N 308.425 3.439 10 10 DGCE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CN(CCCCN=[N+]=[N-])C2 1962298346 DKWPMVTYPLGVAV-STQMWFEESA-N 309.414 3.018 10 10 DGCE COc1cc(NCc2ccc(N3CCCC3)cc2)cnc1OC 1329529753 HMOZNQPWZMLXLA-UHFFFAOYSA-N 313.401 3.311 10 10 DGCE O=S(=O)(Nc1ccc(O)cc1Cl)C1CC2(CCC2)C1 717667702 WPJHIKMMJYWAGT-UHFFFAOYSA-N 301.795 3.120 10 10 DGCE COc1cccc(CNCc2ccc(Br)cc2O)c1 691440010 MYKHFINTCRWSBQ-UHFFFAOYSA-N 322.202 3.453 10 10 DGCE Cc1ccc(C(=O)C(=O)NCc2c(O)ccc3ccccc23)cc1 1472086049 JMBZCNWXASOXKI-UHFFFAOYSA-N 319.360 3.353 10 10 DGCE CCN(CC)c1ccc(CNC(=O)c2ccc3[nH]ccc3n2)cc1 1543179377 IJFJRFYURUGKIC-UHFFFAOYSA-N 322.412 3.339 10 10 DGCE C[C@H](C(=O)NCc1c(O)cccc1F)c1c(F)cccc1F 1558455818 ZIIUTMWCHHSXCG-VIFPVBQESA-N 309.287 3.229 10 10 DGCE O=C(Nc1ccc(Br)c(O)c1)c1cc(O)cs1 1638628531 TYHDRURLFXOSBS-UHFFFAOYSA-N 314.160 3.174 10 10 DGCE Cc1cc(O)c(CN2CCc3c(nc(C(C)C)n3C)C2)cc1C 153020995 BURNQASDUBBDIS-UHFFFAOYSA-N 313.445 3.424 10 10 DGCE CCN(CC)CCN1C(=O)/C(=C\c2ccccc2)SC1=S 1858589058 GIUMBPGUSADZOG-WYMLVPIESA-N 320.483 3.230 10 10 DGCE CCc1ccc(/C=C2/SC(=S)N([C@H](CC)CO)C2=O)cc1 1858590260 GELCHMQLDZGLLK-OZYJXZHSSA-N 321.467 3.221 10 10 DGCE CCCOC(=O)c1cccc(/N=N/N(C)CCC(=O)OCC)c1 1860487219 YLYNRLRZLYKBFR-ISLYRVAYSA-N 321.377 3.137 10 10 DGCE C[C@@H]1[C@@H]([C@@H](N)c2ccccc2O)CCN1C(=O)OC(C)(C)C 1928479861 AGXPYJUFUNREHG-TYNCELHUSA-N 306.406 3.038 10 10 DGCE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[C@H](N)c1ccccc1O 1936987044 OIWQXNRAIXYEFV-XEZPLFJOSA-N 320.433 3.333 10 10 DGCE C[C@@H](Nc1c(N)cccc1F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1977671684 YYOURKZKWULIPW-VXGBXAGGSA-N 323.412 3.465 10 10 DGCE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1Cc1ccc(N)cc1 1977897023 OIMMVARTYAFILK-OKILXGFUSA-N 319.449 3.099 10 10 DGCE CC(C)(C)OC(=O)NC1CC2(C1)CC(N)(c1ccccc1O)C2 1983337504 JXAQRAISTGGGNA-UHFFFAOYSA-N 318.417 3.014 10 10 DGCE C[C@@H](N)c1ccc(N2CC[C@@H]2C(F)F)cc1Br 2004456332 PMDBERNQJMYFJL-RDDDGLTNSA-N 305.166 3.313 10 10 DGCE CC1(C)[C@H](NCc2cc(Br)cc(F)c2O)C1(F)F 2036254040 DONXUQNZNYBKTN-JTQLQIEISA-N 324.140 3.427 10 10 DGCE C[C@H](N)c1ccc(N2C[C@H]3C[C@H]2CS3)cc1Br 321289892 KARTTWYVAMOAFJ-INTQDDNPSA-N 313.264 3.163 10 10 DGCE Nc1ccc(O)c(CN2CCc3c(Br)cccc32)c1 713344002 KKWVMNAQPNHMLX-UHFFFAOYSA-N 319.202 3.300 10 10 DGCE C[C@H](O)c1ccc(N2C[C@@H]3[C@H](C2)C3(F)F)c(Br)c1 715526263 UITKAPCMJJUGDO-UJNFCWOMSA-N 318.161 3.204 10 10 DGCE C[C@@H](C(=O)NCc1c(O)ccc2ccccc12)C1CCOCC1 2062186601 UPIHZDTVRWGJPU-CYBMUJFWSA-N 313.397 3.224 10 10 DGCE COC(=O)c1cc(CC(C)C)nn1[C@H](C)c1ccc(F)cc1O 2070004398 WHGNPCAHBVAAGN-LLVKDONJSA-N 320.364 3.322 10 10 DGCE Nc1ccc(CCCSc2nc(CC(=O)O)cs2)cc1 2179580107 DSUHMPPYMVJWBF-UHFFFAOYSA-N 308.428 3.077 10 10 DGCE CO[C@@H]1C[C@H](C)CN(Cc2cc(Br)ccc2O)C1 2085097003 AUJPOGNDCMFQSG-GXFFZTMASA-N 314.223 3.012 10 10 DGCE CC1(C)CNCCN(Cc2cc(Cl)cc(Cl)c2O)C1 2093992492 DLDCLZQGAYIGFB-UHFFFAOYSA-N 303.233 3.130 10 10 DGCE Cc1ccc(CN(C)[C@H]2CCSC2)c(O)c1Br 2307468035 CYRMUJNDANEGBM-NSHDSACASA-N 316.264 3.400 10 10 DGCE CCC1=NN(CC(C)C)C(=O)C1=Cc1ccc(C(=O)OC)cc1 2332139347 WLORRBMREINHBK-UHFFFAOYSA-N 314.385 3.121 10 10 DGCE Cc1ccc(CN(C)Cc2ccno2)c(O)c1Br 2327598513 FIVOUIZIMKWMSE-UHFFFAOYSA-N 311.179 3.083 10 10 DGCE CN[C@H](C)c1ccc(N2CC[C@H](N3CCCC3)C2)c(Cl)c1 62980866 KAWKDCACHNNPLC-HIFRSBDPSA-N 307.869 3.295 10 10 DGCE Oc1c(Br)cccc1CN[C@H]1COc2ccccc21 70070144 FOTHMUPJNIVFTP-ZDUSSCGKSA-N 320.186 3.378 10 10 DGCE CC(C)Oc1ccc(N2CC[C@H](CNCCCCCO)C2)cc1 76376381 KMCUFNAETWMJIV-QGZVFWFLSA-N 320.477 3.052 10 10 DGCE Nc1ccc(OCC(=O)OCc2cccc(F)c2Cl)cc1 123172140 OBONINLYCCRRBA-UHFFFAOYSA-N 309.724 3.184 10 10 DGCE CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@]1(C)CCCO1 152026944 XFPZBVQCMMNVKZ-LJQANCHMSA-N 316.445 3.204 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)C(=O)n1ccc2cc(N)ccc21 170024166 AIZGGYZXDGPJQT-LLVKDONJSA-N 310.353 3.154 10 10 DGCE CCOC(=O)CCN(Cc1ccco1)c1ccc(OC)c(F)c1 173495055 UJLVTGYMZRKZGZ-UHFFFAOYSA-N 321.348 3.387 10 10 DGCE C[C@H](NCCCN1CCOC1=O)c1ccc2ccccc2c1O 185332743 LMSKRHVWWUFCGM-ZDUSSCGKSA-N 314.385 3.038 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H](CCNCc2ccccc2O)C1 223456734 HSCMIXJKRJNURU-CQSZACIVSA-N 320.433 3.129 10 10 DGCE CC(=O)N(C(=O)Nc1ccc(N)cc1Cl)c1ccc(N)cc1 244083218 UECDEPBOAPJXLM-UHFFFAOYSA-N 318.764 3.089 10 10 DGCE Oc1cccc2c1[C@H](N[C@@H]1CCOC3(CCSCC3)C1)CC2 296650257 DILUCNBKWIHUSA-HUUCEWRRSA-N 319.470 3.414 10 10 DGCE C[C@H](N)c1ccc(N(C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 309730834 RRCUJGKWXMJNOY-OXJNMPFZSA-N 309.457 3.417 10 10 DGCE COCCNCc1ccc(N(C)CCCSC)c(Cl)c1 312738901 JAEYKFDNGPCWIN-UHFFFAOYSA-N 316.898 3.265 10 10 DGCE CO[C@@H]1CC[C@H](C)N(Cc2c(O)cccc2Br)C1 687210035 WTSKJHFPFMANNL-WDEREUQCSA-N 314.223 3.154 10 10 DGCE O=C(O)/C=C\c1ccc(N2C[C@@H]3CC[C@H]3C2)cc1Br 688353744 YQEXECJQQAHMKV-XSCYXQHBSA-N 322.202 3.393 10 10 DGCE Oc1c(F)cc(Br)cc1CNc1cccnc1F 715766863 YDUSVCNCWYBSPF-UHFFFAOYSA-N 315.117 3.440 10 10 DGCE Oc1c(F)cc(Br)cc1CNC1C2(CC2)C12CC2 715793676 YFHXEFUKUDULOV-UHFFFAOYSA-N 312.182 3.326 10 10 DGCE COc1cccc(NC(=S)NNc2cccc(F)c2F)c1 743005145 OKRAXSLYQLQQHU-UHFFFAOYSA-N 309.341 3.287 10 10 DGCE O=C(NCc1ccc(O)c(O)c1)c1ccc(-c2ccccc2)o1 752599515 HIQGYZGEYZAHCL-UHFFFAOYSA-N 309.321 3.288 10 10 DGCE CC(C)[C@@H]1CCN(C(=O)NCCCSc2nccs2)C1 759584766 DBNGSDVLYOQINU-GFCCVEGCSA-N 313.492 3.313 10 10 DGCE C[C@H](NCc1cc(O)ccc1[N+](=O)[O-])c1ccc(N(C)C)cc1 775362619 IZVSOGJNZGNVTA-LBPRGKRZSA-N 315.373 3.217 10 10 DGCE Cc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cn1 775402137 BNRUUKQNGDMRON-BLMSOEDDSA-N 309.413 3.347 10 10 DGCE COc1ccc(O)c(CN(C)[C@H](C)[C@H]2Cc3ccccc3O2)c1 775740553 OBKGHFFBPHAGCQ-BFUOFWGJSA-N 313.397 3.225 10 10 DGCE Cc1ncc2c(n1)CC[C@@H](NC/C=C/c1ccc(N(C)C)cc1)C2 835037411 VSETZZLUFCWWEF-SHCNBLLESA-N 322.456 3.011 10 10 DGCE Oc1c(F)cc(Cl)cc1CN1CCC[C@@H]([C@H]2CCCN2)C1 843044486 DGPASMZFXSLUAS-IAQYHMDHSA-N 312.816 3.149 10 10 DGCE COC(=O)/C=C/c1ccc(CN2CCc3cc(OC)ccc32)o1 848876408 IMJUHTSQCUDJNH-SOFGYWHQSA-N 313.353 3.037 10 10 DGCE COc1ccc2c(c1)N(C(=O)/C=C/c1cnc(C)s1)CCC2 856077436 VKLOUKSBIGBYPJ-BQYQJAHWSA-N 314.410 3.453 10 10 DGCE Oc1ccc(Cl)cc1CNC[C@@H]1Cc2ccccc2CO1 858211768 MOUDTECYASBYIO-INIZCTEOSA-N 303.789 3.277 10 10 DGCE Oc1ccc(Cl)c(F)c1CN[C@H](C1CCC1)[C@@H]1CCOC1 865761847 IMXQTYILNRNIRN-BDJLRTHQSA-N 313.800 3.480 10 10 DGCE COc1ccc(O)c([C@H](C)NC[C@H]2CCC23CCOCC3)c1 866529886 TVLCMASUVVZODM-UONOGXRCSA-N 305.418 3.258 10 10 DGCE O=C([C@H]1C[C@]12CCc1ccccc12)N1Cc2cccc(O)c2C1 871202386 GFQAHPADPZZEBQ-XLIONFOSSA-N 305.377 3.139 10 10 DGCE O=C(C[C@@H]1CCc2ccccc2C1)N1Cc2cccc(O)c2C1 871202894 OIHSGCCXSGBWOK-CQSZACIVSA-N 307.393 3.430 10 10 DGCE Cc1cc(Cl)cc([C@H](C)NCCc2cc(C)n(C)n2)c1O 926910936 NMGRSQJZVRHMAS-LBPRGKRZSA-N 307.825 3.289 10 10 DGCE CN(C)c1ccc(CNC(=O)c2cc(F)cc3ccncc23)cc1 1264262093 RXKTZAYJENLCTI-UHFFFAOYSA-N 323.371 3.370 10 10 DGCE COc1ccc(CN[C@@H](C)CCNC(=O)C2CC(C)C2)cc1C 1281702246 BGWMNLYNBOSURJ-GULBITTBSA-N 318.461 3.034 10 10 DGCE COc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1SC 1299165199 AGJZPPZHLDBXAZ-UHFFFAOYSA-N 319.382 3.010 10 10 DGCE CC(C)[C@@H]1C[C@H]1CNC(=O)NCc1c(O)ccc2c1CCCC2 1312702968 RLIJEXQLHWJPJP-HOCLYGCPSA-N 316.445 3.362 10 10 DGCE CCNc1ncc(C(=O)N2Cc3cccc(O)c3C2)cc1Cl 1350144412 QOJSVLAZJWBHBY-UHFFFAOYSA-N 317.776 3.028 10 10 DGCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H](C2CCCCC2)C1 1452956306 QOYMXWDFCTUODX-OAHLLOKOSA-N 303.402 3.069 10 10 DGCE Cc1cc(F)c(CC(=O)N[C@H](C)c2ccccc2O)cc1F 1454806863 OVZFGDBWYQQPRR-LLVKDONJSA-N 305.324 3.399 10 10 DGCE CCOc1ccc(N(CC2CC2)C[C@H]2COC(C)(C)O2)cc1 1460629796 XGOWMHVSULVMFC-KRWDZBQOSA-N 305.418 3.453 10 10 DGCE COc1ccc(CN[C@@H](CNC(=O)CC(C)C)C2CC2)cc1C 1480001037 ZCIUXSXMTQFQJS-KRWDZBQOSA-N 318.461 3.034 10 10 DGCE Cc1cc(CNC(=O)[C@@H]2[C@H]3CCCO[C@H]32)c(C)n1-c1ccccc1 1596491199 SYNWHEZHZLLBHY-GUDVDZBRSA-N 324.424 3.135 10 10 DGCE CC[C@@H]1CCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])[C@H]1C 1612278705 IBBGTLHUBKCFSP-SKVWCYETSA-N 318.373 3.406 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cscc1Cl 1632681706 UXUCVDYKUGFEBC-MRVPVSSYSA-N 311.790 3.174 10 10 DGCE COC(=O)c1cnc(Sc2ccc([N+](=O)[O-])cc2F)s1 1639959892 FBRCXIDBQLYZNN-UHFFFAOYSA-N 314.319 3.128 10 10 DGCE COc1cc(N(C)Cc2cnc(C)s2)c([N+](=O)[O-])cc1OC 1651399811 RNKLSSJMFRZBOP-UHFFFAOYSA-N 323.374 3.013 10 10 DGCE O=C(NCc1c(O)cccc1F)[C@@H]1C[C@]1(F)c1ccccc1 1652298717 OLLHHNXSZJTJSD-GUYCJALGSA-N 303.308 3.032 10 10 DGCE C[C@]1(CNCc2ccc(Br)cc2O)CCCCO1 1653181040 KCNIQPHCTWVOLN-CQSZACIVSA-N 314.223 3.204 10 10 DGCE CN(C)c1ccc(CN(CCCO)c2ccc(F)c(F)c2)cc1 1658902974 YYWGNWYODIVLHF-UHFFFAOYSA-N 320.383 3.420 10 10 DGCE C[C@H](CCO)N(Cc1ccccc1)c1c(F)cc(CN)cc1F 1915385266 IDYCMKRNXIIFIC-CYBMUJFWSA-N 320.383 3.201 10 10 DGCE Oc1cc(Br)ccc1CNC[C@H]1CC[C@H](F)C1 1945237094 OBBFEKDQHUBZFC-CABZTGNLSA-N 302.187 3.383 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H](N)C[C@@H]1c1cccc(Cl)c1O 1952445903 AJSVUZJXEHBCJI-JOYOIKCWSA-N 312.797 3.055 10 10 DGCE CP(C)(=O)[C@@H]1CCCN(Cc2cc(F)cc(F)c2O)C1 1967880970 CNKJIZGIDAFZRU-GFCCVEGCSA-N 303.289 3.258 10 10 DGCE Cc1ccc(O)c(CNCC2(C)CN(C(=O)OC(C)(C)C)C2)c1 1970949170 JCTSBZBQGYNIIP-UHFFFAOYSA-N 320.433 3.047 10 10 DGCE C[C@H](N)c1cnc(Sc2ccc(Br)cn2)s1 1976525752 HYXBMUWIGSFGPV-LURJTMIESA-N 316.249 3.472 10 10 DGCE CCN(C(=O)OC(C)(C)C)[C@@H]1CCN(Cc2ccc(N)cc2)C1 1977888781 UREZHJONQXAJJI-MRXNPFEDSA-N 319.449 3.100 10 10 DGCE CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)c1ccc(N(C)C)cc1 1977937907 FNWQIKLCNKCIOH-HZPDHXFCSA-N 322.449 3.479 10 10 DGCE Cc1cccc(C(=O)NCCN=[N+]=[N-])c1NC(=O)OC(C)(C)C 1985102513 IAQKQHWXFMNZHZ-UHFFFAOYSA-N 319.365 3.382 10 10 DGCE C[C@H](N)c1ccc(N2CC(C(F)(F)F)C2)cc1Br 2034846460 GSUJIDZYIWHBPK-ZETCQYMHSA-N 323.156 3.467 10 10 DGCE C[C@@H]1CCOC[C@@H]1N(C)Cc1ccc(Br)cc1O 2035126824 BARRHNYXTOWVTB-MFKMUULPSA-N 314.223 3.012 10 10 DGCE Oc1cc(Br)ccc1CN[C@@H]1C[C@H]2C[C@H]1C[C@@H]2F 2039898610 YRLZGSXDSFOKKR-RSLMWUCJSA-N 314.198 3.381 10 10 DGCE Oc1c(F)cc(Br)cc1CN[C@@H]1[C@H]2C[C@@H]2[C@H]2C[C@@H]12 2047794505 JTPNYYFKMOJIEJ-YFVNTRNASA-N 312.182 3.038 10 10 DGCE Oc1c(F)cc(Br)cc1CNC[C@H]1[C@H]2CCC[C@H]21 2048400373 DIVLNMCMGRRWEV-ZSBIGDGJSA-N 314.198 3.430 10 10 DGCE CN(Cc1cccc(N)c1)Cc1c(O)cccc1Br 2092479579 XKHQARDHOKJXNY-UHFFFAOYSA-N 321.218 3.369 10 10 DGCE CC[C@@H](C)C[C@](CO)(CSc1nccs1)NC1CC1 2142625571 YYQQIYDNGOWYFW-RISCZKNCSA-N 300.493 3.155 10 10 DGCE C[C@H](N)c1ccc(N(C)C[C@@]2(C)CSCCO2)cc1Cl 2201257538 PIOAYAIGDRMEID-NHYWBVRUSA-N 314.882 3.318 10 10 DGCE Cc1nc(Cl)nc(Cl)c1NC(=O)Nc1ccc(N)cc1 2234710153 UYDBWUAADOLXGW-UHFFFAOYSA-N 312.160 3.318 10 10 DGCE Cc1ccc(CN[C@@H]2CCC[C@H]2F)c(O)c1Br 2307473615 IHAJRABFUXUOBD-GHMZBOCLSA-N 302.187 3.443 10 10 DGCE CCn1ccc(N(C)Cc2ccc(C)c(Br)c2O)n1 2352642531 GGUJQSWYYQZDJD-UHFFFAOYSA-N 324.222 3.316 10 10 DGCE CCN[C@H](C)c1ccc(N(C)Cc2cnn(C)c2)c(Cl)c1 61696891 JURQZCAWOGGMTH-GFCCVEGCSA-N 306.841 3.380 10 10 DGCE CC[C@H](c1cc(Br)ccc1O)N(C)[C@@H](C)C(=O)O 86756286 WCJANJAFQYZSCF-GZMMTYOYSA-N 316.195 3.011 10 10 DGCE CN(C)C[C@@H](NCc1cccc(Cl)c1O)c1ccccc1 158083902 TXWHPACFTMNELJ-MRXNPFEDSA-N 304.821 3.438 10 10 DGCE CCOc1ccc(C(=O)CCC(=O)Nc2ccc(N)cc2)cc1 160446158 UEUPSRXUKISNOE-UHFFFAOYSA-N 312.369 3.269 10 10 DGCE CN(C)[C@@H]1CCCN(c2ccc(CNC3CC3)cc2Cl)C1 164127576 ACIHJKXQDTVAIT-OAHLLOKOSA-N 307.869 3.122 10 10 DGCE Cc1ccc(C(=O)N(C)Cc2ccc(Cl)cc2)c(O)c1O 177659050 ADRRIJGWMLILQM-UHFFFAOYSA-N 305.761 3.332 10 10 DGCE Cn1c(-c2ccccc2)cnc1SCc1nc(C2CC2)n[nH]1 179650649 SOVJVGXFOAUPRK-UHFFFAOYSA-N 311.414 3.375 10 10 DGCE C[C@H](N[C@H]1CCN(C(=O)C2CCCCC2)C1)c1ccccc1O 183562379 MCALKBGYTBLMMO-HOCLYGCPSA-N 316.445 3.224 10 10 DGCE CC[C@H](Nc1cccc(NS(C)(=O)=O)c1)c1ccccc1O 192956424 JFSTYEWBSKLTQS-HNNXBMFYSA-N 320.414 3.327 10 10 DGCE C[C@H](c1cc(Br)ccc1O)N(C)CCCN(C)C 211503785 SSPOVYMESBLPEM-LLVKDONJSA-N 315.255 3.099 10 10 DGCE CCN(Cc1cc(OC)c(OC)cc1O)[C@@H](C)c1cccnc1 290458037 MVEWRKDENBQLLJ-ZDUSSCGKSA-N 316.401 3.388 10 10 DGCE Nc1ccc(CNC(=O)Cc2ccc(Cl)cc2Cl)cc1 700529964 AMUFEHKVVUVCLZ-UHFFFAOYSA-N 309.196 3.435 10 10 DGCE Oc1cc2c(cc1CN1CCC[C@@H]([C@H]3CCOC3)C1)CCC2 747830251 LQOYOAPASUBCRM-SJORKVTESA-N 301.430 3.129 10 10 DGCE COc1ccc(NC(=O)c2ccc(C)c(O)c2O)c2ncccc12 771659691 BKKVXHVYZLJLDE-UHFFFAOYSA-N 324.336 3.215 10 10 DGCE Cc1ccccc1-n1c(C)cc(C(=O)N2CCC(=O)[C@@H](C)C2)c1C 787908733 PNUQZQOIVGXQIC-AWEZNQCLSA-N 324.424 3.454 10 10 DGCE CN(Cc1ccccc1O)C(=O)NC[C@H]1CC12CCSCC2 817786625 XHIWHLQDXVCQGR-CQSZACIVSA-N 320.458 3.067 10 10 DGCE CC[C@@H](NCCCNCc1cccnc1)c1ccc(C)cc1O 817942231 ZJISBKDTUAAZSN-GOSISDBHSA-N 313.445 3.316 10 10 DGCE CC(C)(C)N1CC[C@@H]1CNCc1cc(Cl)c(F)cc1O 826790244 AFJARYIBWKNTNM-LLVKDONJSA-N 300.805 3.147 10 10 DGCE COC(=O)[C@H]1CCCN1Cc1ccc(N2CCCCC2)c(C)c1 827684437 DQYAYKXYOZBRQP-GOSISDBHSA-N 316.445 3.123 10 10 DGCE CCc1cccc(CN2C[C@]34CCCC[C@@]3(COC4)C2)c1O 827849116 AAYGBMDCSZGHNX-OALUTQOASA-N 301.430 3.347 10 10 DGCE C[C@H](NC(=O)/C=C/C1(C)CCOCC1)c1ccc(N(C)C)cc1 829818692 ZWWNEKGCCWBHLY-FEAKQIBJSA-N 316.445 3.303 10 10 DGCE Cc1cc(C(=O)N[C@H](C)[C@@H](C)N)c(C)n1-c1cccc(Cl)c1 834822336 WXVCFNWWZMBHJN-VXGBXAGGSA-N 319.836 3.213 10 10 DGCE CN(Cc1cccs1)c1ccc(CN[C@H]2C[C@@](C)(O)C2)cc1 841891464 PZTFLPQHPWFCIO-RHNCMZPLSA-N 316.470 3.388 10 10 DGCE COc1ccc(N(C)Cc2ccc([N+](=O)[O-])c(OC)c2)cc1 844353220 REEIXGRHCUOZCV-UHFFFAOYSA-N 302.330 3.248 10 10 DGCE CC1=CC[C@](C)(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)CC1 852791548 JBCABPGSXSKPGQ-MJGOQNOKSA-N 315.461 3.005 10 10 DGCE C[C@H](NCc1cc(Cl)cc([N+](=O)[O-])c1O)c1ccns1 858317486 PZQNCDMWHSXNAT-ZETCQYMHSA-N 313.766 3.261 10 10 DGCE CCOC(=O)C1=CC[C@H](N[C@H](C)c2ccc(N(C)CC)cc2)C1 858505328 IMBFULPCUQJCQI-PBHICJAKSA-N 316.445 3.445 10 10 DGCE O=C(NCc1ccc2cccnc2c1O)[C@@H]1C[C@H]1C1CCCC1 862025505 WPPJYPAZTWDEGQ-JKSUJKDBSA-N 310.397 3.383 10 10 DGCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC2C[C@@H]3C[C@H]3C2)c1 862044722 NOWOMZKZVRCLRV-HOTGVXAUSA-N 322.408 3.435 10 10 DGCE C[C@]1(CNCc2ccc(F)c(F)c2O)OCCc2ccccc21 895640494 UXHMAGGFHVCUEH-GOSISDBHSA-N 319.351 3.248 10 10 DGCE C[C@H](NCc1ccc(Br)cc1O)c1cncs1 897930141 JKQBTAZZLIIQIC-QMMMGPOBSA-N 313.220 3.462 10 10 DGCE Cc1ccc([C@@H](NC/C=C/c2ccc(N(C)C)cc2)C(=O)O)cc1 901775754 SZJXYCICRCPUHF-VZSQWMKGSA-N 324.424 3.490 10 10 DGCE Oc1c(F)cc(F)cc1CNCC[C@@H]1OCCc2ccccc21 922958012 MQWGYSAWGQRPLZ-KRWDZBQOSA-N 319.351 3.464 10 10 DGCE CN(C)c1ccc(/C=C/CN2CCO[C@@](C)(C(F)F)C2)cc1 1118674091 IMXSCMXRMBYBSG-LAQIPUCWSA-N 310.388 3.122 10 10 DGCE COc1ccc(CNC[C@@H](C)CNC(=O)CC2(C)CC2)cc1C 1267995217 FLWCBTYBXHQTFH-CQSZACIVSA-N 318.461 3.036 10 10 DGCE CN(C)c1ccc(CN2CCN([C@@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 1307513667 NCFORIFDTXVOBN-CMKODMSKSA-N 313.489 3.059 10 10 DGCE CCN1C(=O)/C(=C/c2nc3c(s2)C[C@H](C)CC3)SC1=S 1320399804 WKQGUNKLYOXXJO-XNYAHFKXSA-N 324.496 3.489 10 10 DGCE COC(=O)CCCN1C[C@H](C(C)C)Cc2cc(OC)ccc21 1460285738 OLLRULBVRSEECS-OAHLLOKOSA-N 305.418 3.283 10 10 DGCE CC[C@](C)(O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 1542412232 SJBUWELQDFRMMU-IBGZPJMESA-N 318.461 3.233 10 10 DGCE Cc1cccc(C(=O)C(=O)NCc2c(O)ccc3c2CCCC3)c1 1545639462 PLZHMQNFJDGWCG-UHFFFAOYSA-N 323.392 3.079 10 10 DGCE CC[C@H](CNC(=O)[C@H]1CC1(C)C)NCc1ccc(OC)c(C)c1 1567956973 ZLPZJJCZEYDBIE-HZPDHXFCSA-N 318.461 3.034 10 10 DGCE Cc1c[nH]cc1C(=O)Nc1c(-c2ccccn2)nc2ccccn12 1570018176 YOTKQPNUDYYQQC-UHFFFAOYSA-N 317.352 3.285 10 10 DGCE O=C(CCc1ccc(C(F)F)cc1)NCc1ccc(O)c(O)c1 1622664408 SOFWOCCZBGGHDK-UHFFFAOYSA-N 321.323 3.284 10 10 DGCE CN(Cc1ccccc1O)c1cccc(Br)c1CN 1877529243 OTNLHIKETHZIME-UHFFFAOYSA-N 321.218 3.250 10 10 DGCE CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1ccccc1O 1928471106 IFHIHRDQBIWLLY-HIFRSBDPSA-N 308.422 3.346 10 10 DGCE CN(C(=O)CN(Cc1ccccc1)CC1CC1)c1ccc(N)cc1 1946861461 DAYGPISJQTZMKG-UHFFFAOYSA-N 323.440 3.144 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](N)[C@@H]1c1cccc(Cl)c1O 1952305231 WMOJZWAREMNOAY-RYUDHWBXSA-N 312.797 3.055 10 10 DGCE CC(C)(C)OC(=O)N[C@H]1CN(c2ccc(N)cc2)C(C)(C)C1 1959552976 CBTKFDODTMESBL-CYBMUJFWSA-N 305.422 3.151 10 10 DGCE CNCc1ccc(N2CCC[C@](C)(F)C2)c(Br)c1 2034770991 ZWTNCAGCOFLRCR-AWEZNQCLSA-N 315.230 3.497 10 10 DGCE CCNCc1ccc(N2C[C@H](F)C[C@H]2C)cc1Br 2042192170 GHWZBAOWSUTIEK-ZYHUDNBSSA-N 315.230 3.495 10 10 DGCE C[C@@H]1CC[C@@H](CNCc2cc(Br)ccc2O)OC1 2053747336 HTFSPDNCKWNIQP-MFKMUULPSA-N 314.223 3.059 10 10 DGCE CO[C@@H]1CC[C@H]1CCNCc1cccc(Br)c1O 2066825274 GVMXFOYGCCXIEV-GXFFZTMASA-N 314.223 3.059 10 10 DGCE C[C@@H](c1cc([N+](=O)[O-])ccc1O)n1ncc(C2CCC2)c1O 2070248700 CKLGYPOJURVMOD-VIFPVBQESA-N 303.318 3.079 10 10 DGCE [N-]=[N+]=N[C@H]1CCCN(C(=O)c2ccc(Br)cn2)CC1 2099337543 XDSZPXJIKOUYNL-JTQLQIEISA-N 324.182 3.149 10 10 DGCE CCCN[C@]1(CO)CC[C@H](Sc2nccs2)[C@@H]1CC 2122615123 UHPXZMZGQMMBEO-OBJOEFQTSA-N 300.493 3.155 10 10 DGCE N[C@H](c1ccccc1O)[C@@H](O)c1csc(C(F)(F)F)c1 2148160859 DUSIBGULONIOEW-NEPJUHHUSA-N 303.305 3.206 10 10 DGCE C[C@@H](N)c1ccc(N(CCO)Cc2cccs2)c(Cl)c1 2171101722 MGMROXXTUBOUBW-LLVKDONJSA-N 310.850 3.420 10 10 DGCE COc1cc2c(cc1OC)N(Cc1cc(Cl)ns1)CC2 2195970725 MKOCIYIZIOFQPL-UHFFFAOYSA-N 310.806 3.376 10 10 DGCE COc1cc(Cl)cc(CN[C@@]23CCC[C@H]2CSC3)c1O 2201966497 NTORIHVHBGZRHT-XHDPSFHLSA-N 313.850 3.430 10 10 DGCE CN[C@H](C)c1ccc(N(C)C[C@]2(F)CCOC2)c(Cl)c1 2238285070 OYYRQWJHKGCJCW-IAQYHMDHSA-N 300.805 3.185 10 10 DGCE CCOc1ncc(CNCc2cnc(SC)s2)s1 2257026524 MPKJSDWLNPRDQR-UHFFFAOYSA-N 301.462 3.010 10 10 DGCE COc1cc(C(=O)Cc2ccc(N)cc2)ccc1Br 2266698962 FKWYHOSMPNKUBJ-UHFFFAOYSA-N 320.186 3.465 10 10 DGCE CSc1ncc(CNC[C@H]2CC3(CCCC3)CCN2)s1 2284716935 BCYHJFDXTBJNFK-GFCCVEGCSA-N 311.520 3.267 10 10 DGCE CC(F)(F)c1ncc(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)s1 2289271817 BCXBFXHVSHXBGR-ZETCQYMHSA-N 301.322 3.027 10 10 DGCE CN(CC1(Br)CC1)c1ccc(CO)c(C2CC2)c1 2317066988 MCUMCCXFJYSMPE-UHFFFAOYSA-N 310.235 3.420 10 10 DGCE Cc1ccc(CN2C[C@H]3C[C@H]2[C@@H]2C[C@@H]32)c(O)c1Br 2327598855 HLUFZBKKAKRVSK-XQHKEYJVSA-N 308.219 3.303 10 10 DGCE Cc1ccc(CN2C[C@H]3[C@H](C2)C3(F)F)c(O)c1Br 2327609520 OBULKPONUVSQLN-UWVGGRQHSA-N 318.161 3.160 10 10 DGCE Cc1ccc(CN2C(=O)[C@H]3CCCC[C@H]32)c(O)c1Br 2352660840 JTGOZRYFIWOHHH-NWDGAFQWSA-N 324.218 3.364 10 10 DGCE C[C@@H](NC[C@@H](c1cccs1)N(C)C)c1cc(O)ccc1O 21039210 HZHCNUWFVBZYGD-RISCZKNCSA-N 306.431 3.113 10 10 DGCE COC(=O)/C=C/c1ccc(Sc2nccs2)c([N+](=O)[O-])c1 53580603 QJYBJANVQCOMJE-HWKANZROSA-N 322.367 3.389 10 10 DGCE N=C(N)c1ccc(Br)cc1Sc1nccs1 166053949 QPCURBWWZXTIGU-UHFFFAOYSA-N 314.233 3.341 10 10 DGCE CC(=O)c1cc(F)cc(CN2CC[C@H](OCCC(C)C)C2)c1O 177384094 IMWZWIKROCWXLX-INIZCTEOSA-N 323.408 3.371 10 10 DGCE CN(C)c1ccc(CN(C(=O)C2(CCF)CC2)C2CC2)cc1 289489293 OXWAYKCJXQZBDL-UHFFFAOYSA-N 304.409 3.383 10 10 DGCE CC[C@@H]1CCCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 301091146 OYDFWKATPYRMSV-BUUCAEBMSA-N 318.373 3.407 10 10 DGCE CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCOCC2)cc1F 364813082 SHFNQDAGLCBPHO-OAHLLOKOSA-N 322.424 3.105 10 10 DGCE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](NCc2cccc(F)c2O)C1 382490573 CTHWMNCDCRZJMA-CHWSQXEVSA-N 324.396 3.067 10 10 DGCE C[C@@H]1O[C@H](C)[C@H](NCc2ccc(Br)cc2O)[C@H]1C 529671031 XGPNYOWGKGHVCW-LFNDISMMSA-N 314.223 3.056 10 10 DGCE Oc1c(Cl)cc(Cl)cc1CNC[C@@]12CCCN(CC1)C2 691574573 JKACJLCLOCAELF-OAHLLOKOSA-N 315.244 3.275 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)c1cnc(Cl)c(Cl)c1 706305684 CNHVYVAGJQIIIG-QMMMGPOBSA-N 300.149 3.303 10 10 DGCE Nc1ccc(CCCN2CC3(C2)CN(Cc2ccccc2)C3)cc1 706674012 MIJNKRBTGAMXBW-UHFFFAOYSA-N 321.468 3.019 10 10 DGCE CSC[C@@H](C)CNCc1cc(Br)cc(F)c1O 715793598 XITNLKZHPVAADD-QMMMGPOBSA-N 322.243 3.383 10 10 DGCE Oc1c(Cl)cccc1CNC[C@H]1CC[C@H](C(F)(F)F)O1 722402963 BEDZYTSKWWQFQT-MWLCHTKSSA-N 309.715 3.245 10 10 DGCE O=C(c1cc(O)cs1)N1CCC[C@H]1Cc1cccc(F)c1 731871663 PRQHBFPQKNCZDX-ZDUSSCGKSA-N 305.374 3.440 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)NCCCCN(C)C)cc1 733161602 NMEBRPWIEZERHG-UHFFFAOYSA-N 313.445 3.166 10 10 DGCE O=C(NCc1ccc(C(F)F)cc1)NCc1ccccc1O 765322646 GBBUHBAFOWIWLI-UHFFFAOYSA-N 306.312 3.329 10 10 DGCE CCCN(CCC)c1ccc(CN2C[C@H]3C[C@]3(CO)C2)cc1 783735861 UBXXJIGRWLIDDQ-IEBWSBKVSA-N 302.462 3.127 10 10 DGCE CC(C)CC[C@@](C)(O)CNCc1cc(Cl)c(F)cc1O 816552762 VLMARLXLEBJHLC-OAHLLOKOSA-N 303.805 3.462 10 10 DGCE O=C1[C@H](N[C@H]2CCc3cccc(O)c32)CCCN1c1ccccc1 834585108 GCTHWKKNVCXXMM-DLBZAZTESA-N 322.408 3.165 10 10 DGCE CN(C)c1ccc(/C=C/CN[C@@H](C2CC2)C(C)(C)CO)cc1 835051857 AKVXMZSVGPMRDI-QWNKOJSDSA-N 302.462 3.153 10 10 DGCE CC(C)CN(C)CCCN[C@@H](C)c1cc(F)cc(F)c1O 846178473 WDISTLWAHGTIJE-LBPRGKRZSA-N 300.393 3.299 10 10 DGCE C[C@H](N[C@H](C)[C@@](C)(O)c1ccccc1)c1ccc(F)cc1O 846186135 DSIJUMRTTBUIIL-VEVIJQCQSA-N 303.377 3.478 10 10 DGCE CC1(C)[C@@H](CNC(=O)NCc2cc(Cl)ccc2O)C1(F)F 852628737 UTYSCPPWTDFTRE-LLVKDONJSA-N 318.751 3.136 10 10 DGCE CCN(CC)c1ccc(CNC[C@H](C(=O)O)C2CCC2)cc1F 854245846 FHCZDBRSZMIDOX-HNNXBMFYSA-N 322.424 3.262 10 10 DGCE COc1ccc(N2CC[C@@H](NC(=O)/C(C)=C/C(C)(C)C)C2)cc1 855224996 HGXISPZKKFMCBE-OKFGHLOFSA-N 316.445 3.383 10 10 DGCE COc1ccc(N2CC[C@H](NC(=O)[C@H]3CC[C@H](C)CC3)C2)cc1 855226359 RLYNJQWQTBCKSR-JYJNAYRXSA-N 316.445 3.216 10 10 DGCE C[C@H](N[C@H]1CC[C@@H](C)NC1)c1cc(Cl)c(Cl)cc1O 863548554 ZVTBRCOWNHWGRE-UTLUCORTSA-N 303.233 3.490 10 10 DGCE C[C@@H](Nc1ccc(N2CCCC2)nn1)c1ccc(N(C)C)cc1 865685318 YHWXFYPDWKHSKN-CQSZACIVSA-N 311.433 3.316 10 10 DGCE C[C@@H](NC(=O)NC[C@H]1CC(C)(C)OC1(C)C)c1ccccc1O 927632906 PIWQPOSYQRBAJX-CHWSQXEVSA-N 320.433 3.346 10 10 DGCE NC(=O)N=Nc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1 1135598744 VLGIRWMZEIDJAD-UHFFFAOYSA-N 304.256 3.380 10 10 DGCE O=C(NCc1cc(O)ccc1O)c1ccc(-c2ccccc2)o1 1153884384 DEIKKVRAUADNHF-UHFFFAOYSA-N 309.321 3.288 10 10 DGCE C[C@@H](NCCC(=O)Nc1ccccc1F)c1ccccc1O 1175419194 SOHYNNHOCPIRRL-GFCCVEGCSA-N 302.349 3.211 10 10 DGCE COc1ccc(N(C)C[Si](C)(C)c2ccccc2)c(OC)c1 1307596858 DFUAHPHMROSCRD-UHFFFAOYSA-N 315.489 3.295 10 10 DGCE Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CC[C@H]2C[C@@H]2C1 1328161474 RVRURILYKLPBOJ-NUEKZKHPSA-N 301.434 3.049 10 10 DGCE CC[C@@H](NCc1c(C(F)(F)F)cnn1C)c1ccccc1O 1334889194 HVJUTFWAWPJYES-GFCCVEGCSA-N 313.323 3.385 10 10 DGCE COc1cc(Cl)cc(CN[C@@H]2CCS[C@H](C)C2)c1O 1343288366 UHDJSXKTTHWPMH-BXKDBHETSA-N 301.839 3.428 10 10 DGCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/C=C(Cl)Cl 1466791157 PREBOVRNNWKJCB-HDMKULJXSA-N 316.184 3.020 10 10 DGCE CC/C=C(\C)C(=O)N[C@H](C)[C@@H](C)NCc1ccc(OC)c(C)c1 1485128755 RONGOGVUQIEVKW-JVPVSYIYSA-N 318.461 3.343 10 10 DGCE COC(=O)/C=C\c1ccc(N(C)C[Si](C)(C)C)c([N+](=O)[O-])c1 1612950167 HWAAGLDIWBJPOW-CLFYSBASSA-N 322.437 3.095 10 10 DGCE Cc1ccc(/C=C\C(=O)N2CCOc3c(F)cc(F)cc32)cn1 1616248084 YNQGKZCURQKLHM-PLNGDYQASA-N 316.307 3.107 10 10 DGCE C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1cc(Cl)ccc1F 1632326763 RSXDNOBAWLJYAN-SECBINFHSA-N 323.751 3.310 10 10 DGCE CC(C)n1ccc(NC(=O)c2cc3cc(O)c(O)cc3s2)n1 1634169085 WFBGMXWGORHJQK-UHFFFAOYSA-N 317.370 3.342 10 10 DGCE C[C@@H](Oc1cccc(F)c1)C(=O)N[C@H](C)c1ccccc1O 1635793879 MASYXKKCIVSBQB-VXGBXAGGSA-N 303.333 3.176 10 10 DGCE Cc1cc(C)cc(-n2c(C)cc(C(=O)Cn3ccnn3)c2C)c1 1643917700 OYPHRAIOYFYUBI-UHFFFAOYSA-N 308.385 3.185 10 10 DGCE CCCCN(C)c1nnc(C)n1Cc1ccc(N(C)C)c(F)c1 1695190758 WNRMZZKPDVJMDH-UHFFFAOYSA-N 319.428 3.076 10 10 DGCE c1cnc(N2CCN(/N=N/c3cccc4ccccc34)CC2)nc1 1860485601 QOWHKKZQJVGFEB-QURGRASLSA-N 318.384 3.451 10 10 DGCE CCOC(=O)N1CCC(N=NNc2ccccc2OCC)CC1 1860492233 KAAQLRNXKMGTPA-UHFFFAOYSA-N 320.393 3.485 10 10 DGCE Oc1cccc(Br)c1CN1[C@H]2CC[C@H]1[C@H]1CC[C@@H]2O1 1901309335 LHMUOFRGMLNGIW-NZBPQXDJSA-N 324.218 3.049 10 10 DGCE CN(CCCN=[N+]=[N-])C(=O)COc1ccc(F)cc1Cl 1912162963 CSPBAJJVSCDURR-UHFFFAOYSA-N 300.721 3.017 10 10 DGCE CN(C)c1ccc([C@@H](CCCO)NC(=O)OC(C)(C)C)cc1 1927315668 DMQRXHIHNSBXHH-OAHLLOKOSA-N 308.422 3.091 10 10 DGCE C[C@H]([C@@H](N)c1ccccc1O)N(C(=O)OC(C)(C)C)C1CC1 1928476400 JDFMYLPVOMYWAY-IAQYHMDHSA-N 306.406 3.180 10 10 DGCE COc1ccc(I)cc1CCN=[N+]=[N-] 1951350154 HCWYQUNKSXDNFC-UHFFFAOYSA-N 303.103 3.153 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](Nc3ccc(N)cc3)C[C@@H]21 1959350341 ANLJDMZWQBSKTM-ILXRZTDVSA-N 303.406 3.079 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccccc2N)[C@@H]2C[C@H]21 1974961201 SXOKUJOLLCHRSM-CORIIIEPSA-N 303.406 3.079 10 10 DGCE CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H](O)c1ccc(N(C)C)cc1 1977939500 QKUXOWGXEDDZFW-XJKSGUPXSA-N 322.449 3.432 10 10 DGCE CC(C)(C)OC(=O)N1CCC[C@@H]2CN(CCCN=[N+]=[N-])CC[C@@H]21 1982241701 INMJSRHYDCEAGG-KGLIPLIRSA-N 323.441 3.408 10 10 DGCE C[C@@H]1CCN(Cc2ccccc2)CCN1c1ccc(CN)cc1 1990949965 BBDGBYPNSVORBY-QGZVFWFLSA-N 309.457 3.246 10 10 DGCE CC(C)(C)OC(=O)NC1CC([C@H](F)[C@H](N)c2ccccc2O)C1 1992608174 LOCCVPQTFAVTJM-RLNQVHQUSA-N 324.396 3.033 10 10 DGCE CN[C@@H]1CCc2cc(N3CC(N(C)Cc4ccccc4)C3)ccc21 2012704241 XVFSWBBWGGSVOE-OAQYLSRUSA-N 321.468 3.214 10 10 DGCE C[C@H]1COCC[C@H]1N(C)Cc1cccc(Br)c1O 2031920069 OMAAKWWTKZDZEP-GXFFZTMASA-N 314.223 3.012 10 10 DGCE CC[C@@](C)(CN(C)c1ccc(CO)cc1Br)OC 2066262623 JCUBSPLYVNQVAI-AWEZNQCLSA-N 316.239 3.193 10 10 DGCE Cc1ncnc(N[C@H](C)c2ccccc2O)c1Br 2072484902 RMXJZYFYILRKCU-MRVPVSSYSA-N 308.179 3.426 10 10 DGCE COc1ccc([C@H](C2CC2)n2nc(C)c(CO)c2Cl)c(O)c1 2079972374 UKRYWSFQLKWIGK-HNNXBMFYSA-N 322.792 3.051 10 10 DGCE CN(C)C1CC(CNCc2cc(Cl)cc(Cl)c2O)C1 2128494036 HLAVHCGPKKWXAK-UHFFFAOYSA-N 303.233 3.129 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1C[C@@]2(C)Oc1ccc(N)cc1 2210397972 AFMATLMDORQTCU-RVKKMQEKSA-N 318.417 3.436 10 10 DGCE COc1ccc(Br)c(CNCC2(C)CCC2)c1O 2220462364 KKFIINLSAFOPQW-UHFFFAOYSA-N 314.223 3.443 10 10 DGCE CN(c1cc(Cl)c(CN)cc1F)C1CSCCSC1 2228718091 GTZUJDNUOYJMAC-UHFFFAOYSA-N 320.886 3.223 10 10 DGCE CCC(CC)(CCNCc1cnc(SC)s1)C(=O)O 2269094623 TZRYXXHKHLTCSP-UHFFFAOYSA-N 302.465 3.236 10 10 DGCE COc1cc(F)c(CNCc2cnc(SC)s2)c(F)c1 2284700082 RLHJMIGYZBUEOM-UHFFFAOYSA-N 316.398 3.442 10 10 DGCE COc1ccc(N2CCP(C)(=O)CC2)cc1Br 2301534968 IQMGBPZBTUWRPN-UHFFFAOYSA-N 318.151 3.271 10 10 DGCE CS[C@H]1CC[C@H]1N(C)c1ccc(CO)c(Br)c1 2307888846 YJLXKXQETLFWJI-OLZOCXBDSA-N 316.264 3.272 10 10 DGCE Cc1cccc(C=C2SC(=S)N(CCCN(C)C)C2=O)c1 2323767345 IVPMSYCASAKILE-UHFFFAOYSA-N 320.483 3.148 10 10 DGCE CC[C@H](O)CN(CC)Cc1ccc(C)c(Br)c1O 2327621273 LQUJKDHBTAEPRK-LBPRGKRZSA-N 316.239 3.056 10 10 DGCE Oc1c(F)cccc1CNCc1nc(C(F)(F)F)cs1 2360823542 YVJXAMCYLLAJOE-UHFFFAOYSA-N 306.284 3.296 10 10 DGCE Nc1ccc(O)c(CNC(=O)c2ccc(Cl)c(Cl)c2)c1 36737560 RCWRIADQOAGWRS-UHFFFAOYSA-N 311.168 3.211 10 10 DGCE Cc1cccn2c(/N=N\c3cccc(O)c3)c(CC(=O)O)nc12 71582024 RCLVKJUIJVFITI-HNENSFHCSA-N 310.313 3.391 10 10 DGCE CSCCCCNC(=O)NCc1ccc(N2CCCC2)cc1 77348357 LOGNIUKDJGEJQH-UHFFFAOYSA-N 321.490 3.229 10 10 DGCE CCc1cc(C(=O)NCCc2ccc(O)c(O)c2)sc1C 98076928 SZPUSCUOAOFVGD-UHFFFAOYSA-N 305.399 3.003 10 10 DGCE Cc1cc(C(=O)N(C)C[C@@H]2CCCO2)c(C)n1-c1ccccc1 122823554 IWMOHMBVSCWHAH-KRWDZBQOSA-N 312.413 3.345 10 10 DGCE CCCNCc1ccc(N2CCN(CCC)CC2)c(Cl)c1 126325137 STLNWPABPWAENZ-UHFFFAOYSA-N 309.885 3.372 10 10 DGCE CC(C)N(CCc1nccs1)Cc1cc([N+](=O)[O-])ccc1O 179050011 HBBQJZAIXSCEKV-UHFFFAOYSA-N 321.402 3.210 10 10 DGCE C[C@@H](NCc1cccc(Cn2ccnc2)c1)c1ccccc1O 183409329 OANLUTLKZKUZFL-OAHLLOKOSA-N 307.397 3.488 10 10 DGCE [N-]=[N+]=NCCCCNC(=O)c1cc(F)cc(Br)c1 231731204 ZHSUMUKWZKIWJM-UHFFFAOYSA-N 315.146 3.409 10 10 DGCE Cc1cc(O)c(CNC[C@@H](O)c2ccc(Cl)cc2)cc1C 291641636 BOFWVGDUWGNZDS-QGZVFWFLSA-N 305.805 3.486 10 10 DGCE C[C@@H]1C[C@@H](C(F)(F)F)CCN1Cc1cc2c(cc1O)OCO2 295043781 OWJICFZDOWSENU-KOLCDFICSA-N 317.307 3.284 10 10 DGCE COc1cc(Cl)cc(CN2CC[C@H](C(F)(F)F)C2)c1O 380076496 IKGGTPKBCIOBGA-VIFPVBQESA-N 309.715 3.438 10 10 DGCE N#Cc1sc(N(Cc2ccc(N)cc2)C2CC2)nc1Cl 380973832 WOUZKFNCGIYBPS-UHFFFAOYSA-N 304.806 3.419 10 10 DGCE C[C@H]1C[C@@H](C)N(c2cc(Br)c(CN)cc2F)C1 383940737 HAOPASCPFPWULK-DTWKUNHWSA-N 301.203 3.282 10 10 DGCE O=C(/C=C/c1cnccn1)N(Cc1ccsc1)c1cccnc1 493699419 VTVLTRWCZCLFPA-ONEGZZNKSA-N 322.393 3.180 10 10 DGCE C[C@H](NCc1c(O)cccc1Br)c1cscn1 706804729 NZEKRPPALLDRLR-QMMMGPOBSA-N 313.220 3.462 10 10 DGCE CC(C)OC(=O)N1CCC(N[C@@H](C)c2cc(F)ccc2O)CC1 756708344 OSYUBZVSQCOBSV-LBPRGKRZSA-N 324.396 3.191 10 10 DGCE COc1ccc(O)cc1C(=O)Nc1cccc(N2CCCC2)c1 780394586 HQIIDHMYFJHRDZ-UHFFFAOYSA-N 312.369 3.253 10 10 DGCE C[C@@H](NCC1=CCOCC1)c1cccc(C(F)(F)F)c1O 834861298 YZSQLEVAJNKTDH-SNVBAGLBSA-N 301.308 3.408 10 10 DGCE CC[C@@H](N[C@H](CC)c1cc(Cl)cc(Cl)c1O)C(=O)NC 834911201 HUMJELYLSCFIJM-VXGBXAGGSA-N 319.232 3.264 10 10 DGCE CC[C@@H](NC[C@H]1CC2(CCOCC2)CO1)c1ccccc1O 866533739 VAHWVORBKSNPDO-GDBMZVCRSA-N 305.418 3.019 10 10 DGCE O=C(Cc1ccc2c(c1)CCCC2)N1Cc2cccc(O)c2C1 871200161 ZGQBGYZUOKZQPI-UHFFFAOYSA-N 307.393 3.356 10 10 DGCE COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CC=CC[C@H]2C)c1 898890964 JZULXJRCIQPJQR-TYNCELHUSA-N 304.390 3.116 10 10 DGCE OC1CCN(c2ccc(CNC3C[C@@H]4CCC[C@H]4C3)cc2)CC1 903056922 VJUCKWLXOIFPPB-IRXDYDNUSA-N 314.473 3.316 10 10 DGCE C[C@@H](NC[C@]1(c2ccccc2)C[C@H](O)C1)c1ccc(F)cc1O 903269612 BXJLVHYBDITDCV-VVFCZOMOSA-N 315.388 3.275 10 10 DGCE C[C@@H](NCc1ncc(Br)[nH]1)c1ccc(N(C)C)cc1 922014467 IMPBPMJKXWARHM-SNVBAGLBSA-N 323.238 3.089 10 10 DGCE OCC[C@H]1CCCCCN1Cc1ccc(N2CCCC2)cc1 1117077332 WVZPGSMLORMELL-GOSISDBHSA-N 302.462 3.414 10 10 DGCE O=[N+]([O-])c1ccc2c(c1)CN(Cc1cc3c(cc1O)CCC3)CC2 1319562719 WFEBYYRTQSSZOQ-UHFFFAOYSA-N 324.380 3.347 10 10 DGCE CCO[C@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)C1CC1 1351175441 ATLOHFXAFSXLLQ-SFHVURJKSA-N 316.445 3.060 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)Nc1ncnc2[nH]ccc12 1472808265 MLCWBYFULICRQQ-CYBMUJFWSA-N 309.417 3.375 10 10 DGCE COc1ccc(CN[C@H](C)CNC(=O)CC(C)=C(C)C)cc1C 1480520194 LJRPQRPQAIVOSX-MRXNPFEDSA-N 318.461 3.344 10 10 DGCE CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 1595332129 AKJXNWFPOYOGMX-KBPBESRZSA-N 305.418 3.361 10 10 DGCE COc1cc(Cl)ccc1OC(=O)/C=C/c1ccc(O)c(O)c1 1639383351 QYJRKHMVPMZKGX-XVNBXDOJSA-N 320.728 3.379 10 10 DGCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCCc2cnoc2)c1 1641572138 HHJPYAUUECMAQH-UHFFFAOYSA-N 323.396 3.363 10 10 DGCE CCN(CCNCc1ccc(OC)c(C)c1)C(=O)[C@@H](C)C(C)C 1732799739 PQMOCYYJJQEPQZ-INIZCTEOSA-N 320.477 3.234 10 10 DGCE O=C(O)C=Cc1cccc(OCCSc2nccs2)c1 1911905923 RHBURBQPVCQWCX-UHFFFAOYSA-N 307.396 3.412 10 10 DGCE CC[C@H](O)CN(Cc1ccccc1)c1ccc([C@H](C)N)c(O)c1 1915388408 HIRKYYOWFQBDBP-YOEHRIQHSA-N 314.429 3.189 10 10 DGCE C[C@@H]1C[C@H]([C@H](N)c2ccccc2O)CCN1C(=O)OC(C)(C)C 1936968984 WMETYRUZNLGRJC-IOASZLSFSA-N 320.433 3.428 10 10 DGCE C[C@H]1C[C@@]1(CCOc1ccc(N)cc1)NC(=O)OC(C)(C)C 1952520303 XTRZSANXBOQJMP-YVEFUNNKSA-N 306.406 3.341 10 10 DGCE CN(CC[C@H](N)c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C 1959561750 BOSALJNPVWJTAR-HNNXBMFYSA-N 307.438 3.009 10 10 DGCE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N(C)CCCN=[N+]=[N-] 1962303902 JUNYMZRMJPSFER-CHWSQXEVSA-N 311.430 3.264 10 10 DGCE C[C@H]1C[C@H](NCc2ccc(F)cc2O)CN1C(=O)OC(C)(C)C 1963142308 DWTACFYWUJODNX-FZMZJTMJSA-N 324.396 3.019 10 10 DGCE CN(Cc1cccc(Br)c1O)C[C@]1(C)CCCO1 1973983573 GRYIAMAZPUCZOX-AWEZNQCLSA-N 314.223 3.156 10 10 DGCE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)c1ccc(N)cc1 1978219302 CHKBBWBBZSSXHN-CJNGLKHVSA-N 319.449 3.351 10 10 DGCE Cc1ccc(O)c([C@@H](C)N(OCc2ccccc2)C2CNC2)c1 1982822297 ALBUVVLNOHXBNL-OAHLLOKOSA-N 312.413 3.167 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@H](Nc2c(N)cccc2F)[C@@H]2C[C@H]21 1983873698 IMZTWMUQENZPNP-LEWSCRJBSA-N 321.396 3.218 10 10 DGCE CN[C@@H](c1ccc(N(C)C)cc1)c1cnn(Cc2ccccc2)c1 2000320719 OCADCNMMCRRUMG-FQEVSTJZSA-N 320.440 3.306 10 10 DGCE CO[C@@H]1CC[C@H]1CCNCc1c(O)cccc1Br 2066816921 NMRMCAVFXXWBTH-IINYFYTJSA-N 314.223 3.059 10 10 DGCE COC(=O)c1cc(C2CCCC2)nn1Cc1c(O)cccc1F 2069870971 QXLTZBVPJFYKOI-UHFFFAOYSA-N 318.348 3.220 10 10 DGCE CC[C@@H](c1ccc(C)cc1O)n1nc(C(C)C)c(CO)c1N 2078980423 DNJZRBYKSIFONP-AWEZNQCLSA-N 303.406 3.094 10 10 DGCE OCCc1ccccc1NCc1cccc(Br)c1O 2100029858 CJQDYMJAJCYEDR-UHFFFAOYSA-N 322.202 3.302 10 10 DGCE CN(C)c1ccc([C@@H](N)c2ncc(Br)cc2F)cc1 2111304033 JFYVKRNNUNZLFP-CYBMUJFWSA-N 324.197 3.097 10 10 DGCE C[C@H](c1cc(Cl)ccc1O)N1CCC[C@]12CC[S@@](=O)C2 2158513102 YIUFEGPABKGJLB-CVWILIBFSA-N 313.850 3.094 10 10 DGCE Oc1ccc(Cl)cc1CNCc1c[nH]nc1C(F)(F)F 2183028434 TZNUOTMNHSHUJG-UHFFFAOYSA-N 305.687 3.077 10 10 DGCE CN(Cc1ccccc1O)c1nc(NN)c(Cl)cc1Cl 2192565492 AEPJLBNINUYHNN-UHFFFAOYSA-N 313.188 3.016 10 10 DGCE CCCNC[C@H]1CCN1c1ccc(OC)cc1Br 2221628980 WLRMSSNMOGZCHO-LLVKDONJSA-N 313.239 3.036 10 10 DGCE CNCc1ccc(N2CC[C@@H]3C[C@]3(F)C2)cc1Br 2222711246 XXHAILHSWSDZRO-RISCZKNCSA-N 313.214 3.107 10 10 DGCE COc1ccc(CNc2cnccc2Br)c(O)c1 2264159212 DSFLDYQLOXYEGG-UHFFFAOYSA-N 309.163 3.170 10 10 DGCE Cc1ccc(N=Nc2c(C(=O)O)nc3c(CO)cccn23)cc1 2295926641 OWRQAPTYQCBXER-UHFFFAOYSA-N 310.313 3.249 10 10 DGCE CN(Cc1nc(Br)cs1)c1ccc(CN)cc1 2303342470 ITVOOHYPPSITQK-UHFFFAOYSA-N 312.236 3.001 10 10 DGCE COc1ccc(N(C)C(=O)C=Cc2cncc(C)c2)c(OC)c1 2303427595 QRLKRMILEQONRZ-UHFFFAOYSA-N 312.369 3.083 10 10 DGCE Oc1cc(Br)ccc1CN[C@@H]1C[C@@H]2C[C@H]1[C@@H]1C[C@H]21 2309575463 QHHGYQIBANYJQZ-QIWZIZFYSA-N 308.219 3.289 10 10 DGCE CP(C)(=O)[C@H]1CC[C@](Sc2nccs2)(C(=O)O)C1 2327013723 KZWDONFIUYVGQX-GZMMTYOYSA-N 305.361 3.234 10 10 DGCE Cc1ccc(CN2CC(=O)CC[C@H]2C)c(O)c1Br 2327539511 MNBRTKJYLPNSHY-SNVBAGLBSA-N 312.207 3.017 10 10 DGCE CCOC(=O)N1CCN(N=Nc2cccc(SC)c2)CC1 2330242693 JQQYKAYORQATCT-UHFFFAOYSA-N 308.407 3.181 10 10 DGCE Cc1cc2oc(=O)c3c(c2c(O)c1CN1CCCCC1)CCC3 5235524 UBEJNVYOKFAUHH-UHFFFAOYSA-N 313.397 3.282 10 10 DGCE CCC1=NN2C(=N)/C(=C\c3cccc(Cl)c3)C(=O)N=C2S1 5857375 QBJBIODOCLORCI-JPSPZVDZSA-N 318.789 3.369 10 10 DGCE CC(C)OCCCNCc1cccc(Br)c1O 42411839 LMVKZRQBEBJLBJ-UHFFFAOYSA-N 302.212 3.059 10 10 DGCE CN(C)c1ccc(/C=C2/CCn3c2nc(=O)c2ccccc23)cc1 102706686 MNLJQEMMXGPNOY-SQFISAMPSA-N 317.392 3.407 10 10 DGCE Cc1nn(C)c(C)c1[C@@H]1CCCN1Cc1ccc(N(C)C)cc1 122724517 UXRJQUVTPQNCQC-SFHVURJKSA-N 312.461 3.440 10 10 DGCE CC[C@H]1CN(c2ccc(CNC(C)C)cc2Cl)CCN1C 164076356 NHZWMXKKNJDLAB-HNNXBMFYSA-N 309.885 3.368 10 10 DGCE CNC(=O)c1cc(NCc2cccc(F)c2O)ccc1Cl 165026726 JCDLSMZUDMNENO-UHFFFAOYSA-N 308.740 3.156 10 10 DGCE Cc1nc(C(=O)NCCCSc2nccs2)c(C)s1 178598354 PUEWLYPZJJZNRM-UHFFFAOYSA-N 313.473 3.129 10 10 DGCE CC[C@@H](N[C@H]1CCc2nnc(C(C)C)n2C1)c1ccccc1O 186325523 WKMKCIISZPDSAJ-DZGCQCFKSA-N 314.433 3.163 10 10 DGCE CC[C@@H]1CN(c2ccc(OC)c(Br)c2)[C@@H](C)CN1 227723652 YTKQVFMJHJLYCS-WDEREUQCSA-N 313.239 3.034 10 10 DGCE Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1C[C@H]2CC[C@H]1O2 247683310 RWPDLVWPCVHVOL-UMVBOHGHSA-N 316.426 3.205 10 10 DGCE COC(=O)c1sc2c(cnc3c2c(C)nn3C(C)(C)C)c1O 248076435 ZVQLSTCMXQQNIQ-UHFFFAOYSA-N 319.386 3.202 10 10 DGCE C[C@@H](NCCc1cn[nH]c1)c1ccc(N2CCCCC2)c(F)c1 289701225 IQOMKTFIMROELH-CQSZACIVSA-N 316.424 3.432 10 10 DGCE Cc1ccc(/C=C\C(=O)N2C[C@@H]3CCCN3c3ccccc32)cn1 492430065 SSXBKYYVJFHPNU-MQNTZWLQSA-N 319.408 3.419 10 10 DGCE CC[C@@H](c1cc(Br)cc(F)c1O)N1CCOCC1 575302142 IIJMUKRCOGBFHG-LBPRGKRZSA-N 318.186 3.077 10 10 DGCE C[C@H](O)c1ccc(N2CCC[C@@H](F)C2)c(Br)c1 689389075 OOVHTNPLVPVDOS-GXSJLCMTSA-N 302.187 3.441 10 10 DGCE Oc1c(Br)cccc1CN1CCC(CF)CC1 689919164 AMSOREDZLDAUFX-UHFFFAOYSA-N 302.187 3.336 10 10 DGCE O=C(O)CCN(Cc1ccccc1)Cc1cc(F)cc(F)c1O 708089418 MDUNXIOFWNHBGG-UHFFFAOYSA-N 321.323 3.147 10 10 DGCE CC[C@H]1COC[C@@H]1N(C)Cc1cccc(Br)c1O 710917655 HILGYFXNTSOOGP-GWCFXTLKSA-N 314.223 3.012 10 10 DGCE Cc1cnc(CNCc2c(O)cccc2Br)c(C)c1 724062794 XHYSDLMSCSMFSE-UHFFFAOYSA-N 321.218 3.456 10 10 DGCE CCN(CC(=O)Nc1ccccc1OC)c1ccc(OC)cc1 746109111 JTSYKLGNLTUJSH-UHFFFAOYSA-N 314.385 3.169 10 10 DGCE C[C@@H](N[C@@H]1CCCN(C)C1)c1ccc(Cl)c(Cl)c1O 756442611 FLHNXJKSNWTHJS-NXEZZACHSA-N 303.233 3.444 10 10 DGCE O=C(/C=C/c1cnccn1)N1CC2(CCCC2)c2cccc(F)c21 762673873 SFIPNNWAYHGHBM-VOTSOKGWSA-N 323.371 3.488 10 10 DGCE CC[C@@H](NC[C@H](CO)c1cccnc1)c1cc(Cl)ccc1O 806178051 BOJVCXYMZDXXFO-CZUORRHYSA-N 320.820 3.257 10 10 DGCE CC1(CNC(=O)c2csc(Cc3ccc(N)cc3)n2)CCC1 817951429 FJFMAFWVHNSRPT-UHFFFAOYSA-N 315.442 3.236 10 10 DGCE COCC1(C2CCC2)CN(Cc2ccc(N(C)C)c(F)c2)C1 827011614 LDGUNCWXHIMJCP-UHFFFAOYSA-N 306.425 3.140 10 10 DGCE Cc1cc(CN[C@](C)(CO)C(C)C)ccc1N1CCCCC1 829957327 GJFLSAUWRWZXEY-LJQANCHMSA-N 304.478 3.482 10 10 DGCE CC(C)Cn1ccnc1CNC/C=C\c1ccc(N(C)C)cc1 835043499 VZPISCPSXFRYSS-WAYWQWQTSA-N 312.461 3.408 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1C[C@H](C)[C@@H]1C 840480986 AMAGTATUISQUJT-KKUMJFAQSA-N 303.450 3.042 10 10 DGCE CCN(Cc1ccc([N+](=O)[O-])c(OC)c1O)C1CC(C)(C)C1 840972127 ZFFFIZJMRZWHFH-UHFFFAOYSA-N 308.378 3.320 10 10 DGCE O=C(NCc1cc(Cl)ccc1O)NC[C@@H]1CCC[C@@H]2C[C@@H]12 852565564 OVEJTHBWFIAPQL-UHIISALHSA-N 308.809 3.281 10 10 DGCE C[C@@]1(C(F)F)CN(Cc2cc3c(cc2O)CCCC3)CCO1 853635343 ZLGFYOJUORTWPT-KRWDZBQOSA-N 311.372 3.127 10 10 DGCE Cn1c(NCc2ccc(N3CCCC3)cc2)nc2cnccc21 865442944 QXONMNCOACCXOZ-UHFFFAOYSA-N 307.401 3.181 10 10 DGCE C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)[C@]12CCCC[C@@H]1C2 870529486 OBOMJVMLZVGSKP-JNILNLKNSA-N 301.386 3.196 10 10 DGCE C[C@@H](N[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1O 903378745 YJPYUWWVWUCLMC-MGPQQGTHSA-N 320.433 3.346 10 10 DGCE C[C@@H](N[C@H](CCN(C)C)c1cccnc1)c1ccc(F)cc1O 903380775 PHVRYSKDKFLXLE-CXAGYDPISA-N 317.408 3.270 10 10 DGCE CO[C@]1(CNCc2ccc(N3CCCCC3)cc2)CCSC1 922572859 MBHHSWWENABNAO-SFHVURJKSA-N 320.502 3.289 10 10 DGCE C[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@H]2CCCC[C@@H]21 1136200045 OYTOETMEQXMUFH-YUELXQCFSA-N 303.402 3.068 10 10 DGCE O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CCC=CCCC1 1180307464 OQJRLJYGRRYUQK-GEWQAIFXSA-N 301.386 3.364 10 10 DGCE O=C(NCc1cccc(Cl)c1O)[C@@H]1CCc2ccccc2O1 1305085393 XNLBHYBOSNSSKU-HNNXBMFYSA-N 317.772 3.056 10 10 DGCE Cc1ccc(/C=C/C(=O)NCc2ccc(N3CCCC3)cc2)cn1 1464076313 GBIANVCIBIOSEH-DHZHZOJOSA-N 321.424 3.320 10 10 DGCE CCN(CC)c1ccc(CNC(=O)c2cnc(F)c(C)c2)cc1 1525918188 BWXMQORONBJKPG-UHFFFAOYSA-N 315.392 3.305 10 10 DGCE O=C(NCc1ccc(O)c(O)c1)c1ccccc1-c1ccncc1 1545639277 ISOBFPXYLJQGHU-UHFFFAOYSA-N 320.348 3.090 10 10 DGCE CC(C)[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)c2ccccc21 1556456399 JAUVLTIQIFFOCY-OAHLLOKOSA-N 311.381 3.427 10 10 DGCE CC[C@@H](C)Oc1cc(C(=O)N[C@H](C)c2ccccc2O)ccn1 1557967172 WGFWMACZYOSLMZ-CHWSQXEVSA-N 314.385 3.456 10 10 DGCE COC(=O)c1cnc(Sc2nc3cccc(F)c3o2)s1 1559198385 NJUMWLDXCLOZHT-UHFFFAOYSA-N 310.331 3.361 10 10 DGCE Cn1nc(C(F)(F)F)c(C=O)c1O[C@H]1CCCC[C@H]1N=[N+]=[N-] 1615671849 HIZADSLWPIZMSH-BDAKNGLRSA-N 317.271 3.252 10 10 DGCE O=C(CCc1ccc(C(F)F)cc1)NCc1c(O)cccc1O 1647289729 IQJJBLPOLSCVRG-UHFFFAOYSA-N 321.323 3.284 10 10 DGCE COC(=O)c1cnc(SCc2csc(Cl)n2)s1 1652853553 KTGLNTNNNDKYLY-UHFFFAOYSA-N 306.821 3.332 10 10 DGCE COc1ccc(N(C)C[C@H](Cc2ccccc2)OC)c(OC)c1 1652957018 DKHPPZWFUFSZFJ-KRWDZBQOSA-N 315.413 3.398 10 10 DGCE CC[C@H](C)CCNC(=O)N(C)CCN(C)c1ccc(OC)cc1 1686998036 IVCYOJVCESOOIR-HNNXBMFYSA-N 321.465 3.209 10 10 DGCE CC[C@@H](CNC(=O)C1CCCC1)NCc1ccc(OC)c(C)c1 1714052441 FQSTVWVHYZQKOM-KRWDZBQOSA-N 318.461 3.178 10 10 DGCE COc1ccc(CN[C@H](C)CNC(=O)[C@H](C)C2CCC2)cc1C 1714247028 OIMHKJMVDZXCLP-HUUCEWRRSA-N 318.461 3.034 10 10 DGCE COc1ccc(/C=C2/C(=O)N(Cc3ccccc3)N=C2C)cc1O 1865664382 OEGCKZOYQZUEED-MHWRWJLKSA-N 322.364 3.203 10 10 DGCE Nc1cccc(Br)c1N[C@@H]1CCCC12CCNCC2 1876290332 HCZQDZPNZAWMHE-CYBMUJFWSA-N 324.266 3.366 10 10 DGCE CN(CCN=[N+]=[N-])C(=O)c1cccc(Br)c1Cl 1912181409 NVBDWQHERUMULT-UHFFFAOYSA-N 317.574 3.485 10 10 DGCE C[C@@H](CO)N(Cc1ccccc1)c1ccc(CNC2CC2)cc1 1914292899 BOJUPXVFZBKRDR-INIZCTEOSA-N 310.441 3.326 10 10 DGCE Nc1ccc(CCN(Cc2ccccc2)[C@@H](CO)C2CC2)cc1 1915176153 HAUJFYXWZRFSQF-FQEVSTJZSA-N 310.441 3.084 10 10 DGCE Nc1ccccc1N[C@@H]1CC[C@H]1NC(=O)OCc1ccccc1 1954638714 OLHDTTDVNKFQGM-IAGOWNOFSA-N 311.385 3.138 10 10 DGCE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](Nc3ccc(N)cc3)[C@H]1C2 1959350381 BBPVXNSDRAORMB-BYCMXARLSA-N 303.406 3.079 10 10 DGCE CN(Cc1ccc(N)cc1)C(C)(C)CNC(=O)OC(C)(C)C 1959528422 FLIMBZFOQIVYPX-UHFFFAOYSA-N 307.438 3.004 10 10 DGCE C[C@H]1C[C@@](O)(c2ccc(N(C)C)cc2)CN1Cc1ccccc1 1977939994 UMUKCNKTUHKBSM-JXFKEZNVSA-N 310.441 3.235 10 10 DGCE CC(C)(C)OC(=O)N1CC[C@](N)(c2ccccc2O)C12CCC2 1983647497 YMIKISHMLHMYSS-SFHVURJKSA-N 318.417 3.110 10 10 DGCE Oc1cccc(Br)c1CN[C@H]1C[C@H]1C(F)(F)F 1998623490 ZHHBCMZZCHTWQE-APPZFPTMSA-N 310.113 3.195 10 10 DGCE CN1CCc2cc(C3(N)CCN(Cc4ccccc4)CC3)ccc21 1999502039 BZYJPFMZJVEEKV-UHFFFAOYSA-N 321.468 3.129 10 10 DGCE Cc1nc(Br)sc1CN1CCC[C@@H]1CN=[N+]=[N-] 2011871538 YEURQLRROGWMGS-MRVPVSSYSA-N 316.228 3.489 10 10 DGCE C[C@H]1C[C@H](CCNCc2c(O)cccc2Br)CO1 2041487048 QFMPBJQYQSGOPR-QWRGUYRKSA-N 314.223 3.059 10 10 DGCE [N-]=[N+]=NCC1(CNC(=O)c2ccccc2Br)CC1 2054028029 AFSWXKSVUTXXNF-UHFFFAOYSA-N 309.167 3.269 10 10 DGCE CNCc1ccc(N2C[C@H](F)C[C@@H](F)C2)cc1Br 2062397827 XNIWSQBHOFXVRN-GHMZBOCLSA-N 319.193 3.055 10 10 DGCE CN[C@@H](c1ccc(N(C)C)cc1)[C@@H](O)c1ccsc1Cl 2163134540 ZSWPEVISZZGQHG-KBPBESRZSA-N 310.850 3.462 10 10 DGCE COCCN(c1cc(Cl)c(CN)cc1F)[C@@H](C)C1CC1 2177386111 WDHLVNFNVGQXIS-JTQLQIEISA-N 300.805 3.189 10 10 DGCE NCc1cc(F)c(N2C[C@H]3CC(F)(F)C[C@@H]3C2)cc1Cl 2182841238 VJYDELFCAHZOQJ-NXEZZACHSA-N 304.743 3.419 10 10 DGCE Cc1cccc(CNC(=O)c2cc(Cl)ncc2Cl)c1O 2204627716 YWHCQWKONPVPFN-UHFFFAOYSA-N 311.168 3.332 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@@H]1NC(=O)c1cc2c(s1)CCSC2 2234166669 PDGZJCCDLBHIBB-UWVGGRQHSA-N 308.432 3.499 10 10 DGCE Oc1ccc(Cl)cc1CN[C@H](C(F)F)C1CCOCC1 2239537876 OMEVYVGKHHJUIR-ZDUSSCGKSA-N 305.752 3.196 10 10 DGCE CSc1ncc(CNCc2cn3cc(Cl)ccc3n2)s1 2284634514 CUSRONLQPNIKEA-UHFFFAOYSA-N 324.862 3.456 10 10 DGCE [N-]=[N+]=N[C@H]1CCC[C@@H]1NC(=O)c1cnc(C(F)(F)F)s1 2289294631 AKGYFGRNOYCVMM-WDSKDSINSA-N 305.285 3.123 10 10 DGCE C[C@H]1C[C@H]1c1ccc(C=CC(=O)NCc2ccc(O)c(O)c2)o1 2301402084 OYHRBBNJYBJFOP-SMDDNHRTSA-N 313.353 3.144 10 10 DGCE Cc1ncc(C=CC(=O)N(C)c2ccccc2N(C)C)s1 2302406917 ZGNMAWJWKZLVQN-UHFFFAOYSA-N 301.415 3.194 10 10 DGCE CC[C@@H]1CN(Cc2ccc(C)c(Br)c2O)CCO1 2327566186 AMQYTTUEWGQRSV-GFCCVEGCSA-N 314.223 3.074 10 10 DGCE CN(Cc1cc(OC(F)(F)F)ccc1O)CC(F)(F)F 2361020250 GCVLEAVKXFSGBT-UHFFFAOYSA-N 303.202 3.285 10 10 DGCE Cc1ccccc1NC(=S)NNc1ccc(C(=O)O)cc1 7521962 QSPBVUIIZBVLJK-UHFFFAOYSA-N 301.371 3.007 10 10 DGCE CN(C)c1ccc(/C=C\c2nc3ccccc3c(=O)n2C)cc1 32274752 XJSYUCVBXVNESQ-RAXLEYEMSA-N 305.381 3.170 10 10 DGCE Nc1ccc(Cn2c(-c3ccc(F)cc3)csc2=O)cc1 33500898 YWIQQZUNWJOLJU-UHFFFAOYSA-N 300.358 3.346 10 10 DGCE CCn1nc(C)c(Br)c1COCc1ccc(N)cc1 89273286 ACESIYGTIJOBQU-UHFFFAOYSA-N 324.222 3.273 10 10 DGCE COc1ccc(N(CC(=O)Nc2ccncc2)C(C)C)cc1F 112559253 WFBCZRQOGUENSR-UHFFFAOYSA-N 317.364 3.083 10 10 DGCE CN(C)c1ccc(CNC(=O)Cc2cnc3ccccc3c2)cc1 118758950 NDDOOMPMMURNPJ-UHFFFAOYSA-N 319.408 3.160 10 10 DGCE CCCNCc1ccc(N(C)C2CCN(C)CC2)c(Cl)c1 163924462 TWCBNMRHGNOZLO-UHFFFAOYSA-N 309.885 3.370 10 10 DGCE CCNCc1ccc(N2C[C@H]3CCCN3C[C@@H]2C)c(Cl)c1 164157822 IHCKGUGUTRCFOQ-DZGCQCFKSA-N 307.869 3.122 10 10 DGCE CN(C)[C@@H]1CCN(Cc2c(O)ccc3oc4c(c23)CCCC4)C1 170842934 FSONDRLSPITNRV-CYBMUJFWSA-N 314.429 3.153 10 10 DGCE C[C@@H]1CN2CCC[C@H]2CN1c1ccc(OC(F)(F)F)cc1 251858499 SEQTZRUVUJUOGO-YPMHNXCESA-N 300.324 3.258 10 10 DGCE CN(C/C(Cl)=C\Cl)Cc1ccc(N2CCOCC2)cc1 255390900 TVGGXYMVLXNAQN-GXDHUFHOSA-N 315.244 3.274 10 10 DGCE CC(=O)NC1CCC(N[C@@H](C)c2cc(Cl)ccc2O)CC1 273559484 HSZGGISXMQGAHL-FNBIGBAISA-N 310.825 3.144 10 10 DGCE CC[C@@H](NCC1(O)Cc2ccccc2C1)c1ccc(F)cc1O 367614934 JGPLSXXAQBDHGL-QGZVFWFLSA-N 315.388 3.102 10 10 DGCE O=C(/C=C/c1cnccn1)N(Cc1cscn1)c1ccccc1 491577148 SRGQJFAWMFGGBE-VOTSOKGWSA-N 322.393 3.180 10 10 DGCE CN(C[C@H]1C[C@@H]1C1CC1)c1ccc(CN)c(Br)c1 698338161 OLVCVLNEZSCXMR-TZMCWYRMSA-N 309.251 3.390 10 10 DGCE Brc1cc(N2CC[C@H]3C[C@@H]32)ccc1CNC1CC1 707088304 MKNXLEAPMZNZOY-BONVTDFDSA-N 307.235 3.300 10 10 DGCE CCCN(CCC)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] 733186016 BFRKCEDXCONFNY-VQHVLOKHSA-N 306.362 3.407 10 10 DGCE Cc1ccsc1[C@@H](CO)N[C@H](C)c1cc(F)cc(F)c1O 756735691 GYTCIEMOMLXBQD-NOZJJQNGSA-N 313.369 3.425 10 10 DGCE CC[C@@]1(C)CCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C1 758485939 KSINVOHEDYTAIY-QLBOMPFWSA-N 318.373 3.407 10 10 DGCE Cc1cc(Br)c(O)c(CNC[C@@H]2CCC=CO2)c1 780568172 XPYCOHLRWSTTIZ-LBPRGKRZSA-N 312.207 3.245 10 10 DGCE OCC[C@@H]1CCCCCN1Cc1c(O)ccc(Cl)c1F 793610321 TVGXHBFIHXQUCD-NSHDSACASA-N 301.789 3.312 10 10 DGCE COc1cc(Cl)cc(CNCC2(C(F)(F)F)CC2)c1O 809706417 XYDVBCZKESUHEY-UHFFFAOYSA-N 309.715 3.486 10 10 DGCE Cc1ccsc1[C@H](CO)NCc1cc(Cl)c(F)cc1O 816555100 UFGNNMNTRZAIBL-LBPRGKRZSA-N 315.797 3.378 10 10 DGCE C[C@H]1CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@@H]1C 816647872 ZHCALMXNIDPVJY-UONOGXRCSA-N 303.406 3.425 10 10 DGCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCn3ccnc32)cc1 833303805 AOEZWHKXNNZCLT-QGZVFWFLSA-N 320.396 3.165 10 10 DGCE CCN1CC[C@H](N(C)C/C=C/c2ccc(N(C)C)cc2)[C@@H](C)C1 835026112 QMDXNSFXYFLSPS-DZCMZPKPSA-N 315.505 3.428 10 10 DGCE CCN1C[C@@H](CSc2ncc(C(C)(C)C)s2)OC1=O 848432725 QABPQHIINPZVSF-VIFPVBQESA-N 300.449 3.373 10 10 DGCE CC[C@@H](N[C@H]1CCN(c2ccc(OC)cc2)C1)C1CCOCC1 850487139 GJQVORLNWIVZII-QFBILLFUSA-N 318.461 3.069 10 10 DGCE CN(C)c1cc(F)c(CNC[C@@H]2CCN2C2CCCC2)cc1F 858285019 GVQRAKAZSLGERC-HNNXBMFYSA-N 323.431 3.137 10 10 DGCE Cc1cc(O)c(CN[C@@](C)(CO)c2cccc(O)c2)cc1Cl 862433067 SXAUEUPDIDCURK-KRWDZBQOSA-N 321.804 3.057 10 10 DGCE Oc1c(Br)cccc1CNCc1cc(C2CC2)no1 877479054 QSDFCJWESUHDAN-UHFFFAOYSA-N 323.190 3.310 10 10 DGCE O=C(N[C@]12CCCC[C@H]1C2)c1cc2cc(O)c(O)cc2s1 899163429 HHYPRABTXNKTQL-QFYYESIMSA-N 303.383 3.375 10 10 DGCE C[C@@H]1CC[C@H](C(=O)O)C[C@H]1NC/C=C/c1ccc(N(C)C)cc1 904030363 CLXZRXQNLGLLRT-GAZUHVONSA-N 316.445 3.245 10 10 DGCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)[C@H]1CCCO1 906345776 VUTQNHKIRXAIRH-MAUKXSAKSA-N 318.461 3.305 10 10 DGCE C[C@H](NC[C@@]1(C(F)(F)F)CCCN1)c1cc(F)cc(F)c1O 925856025 PUKKWDVVNCSFOR-ISVAXAHUSA-N 324.293 3.006 10 10 DGCE CC(C)(C)[C@H](NC(=O)N1Cc2cccc(O)c2C1)C(F)(F)F 930904362 UEJPJPWJILHGCJ-LBPRGKRZSA-N 316.323 3.394 10 10 DGCE O=C1NC(=S)N/C1=C/c1cc(N=Nc2ccccc2)ccc1O 1084609218 FRGSLDHILMIQGB-YEWCEMCRSA-N 324.365 3.153 10 10 DGCE COc1ccc(O)c([C@@H](C)NC(=O)c2cccc(Cl)c2N)c1 1137473416 IVQZOOMETQEORY-SECBINFHSA-N 320.776 3.127 10 10 DGCE C[C@H](N)c1ccc(N2C[C@@H]3CCN(Cc4ccccc4)[C@H]3C2)cc1 1148929639 KLFFNXLNQNELDR-LRQRDZAKSA-N 321.468 3.417 10 10 DGCE C[C@@H](NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)c1ccccc1O 1151886106 VJXOAEGNRYOCSQ-HWPZZCPQSA-N 317.772 3.227 10 10 DGCE c1ccc(CN2CCc3cc(CNC4CSC4)ccc32)cc1 1462603253 KRTBWHJBBJKLAQ-UHFFFAOYSA-N 310.466 3.454 10 10 DGCE Cc1cc(CC(=O)N2CC(F)(F)C2)c(C)n1-c1ccccc1 1466784460 GRSVGJJVEGUOPQ-UHFFFAOYSA-N 304.340 3.114 10 10 DGCE CCc1nc(CN2C[C@@H](C(C)C)Cc3cc(OC)ccc32)no1 1473570681 ZTODUARHGJTBLL-AWEZNQCLSA-N 315.417 3.476 10 10 DGCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@]1(C)C=CCC1 1529277411 GNTYAJZVIPFPJS-DNVCBOLYSA-N 300.446 3.465 10 10 DGCE Cc1c(C(=O)N(C)Cc2ccccc2O)nc(O)c2ccccc12 1622312517 OJSKDKLUURFEHU-UHFFFAOYSA-N 322.364 3.227 10 10 DGCE CN(Cc1ccc2c(c1)OC(F)(F)O2)c1ccc2c(c1)OCO2 1652926211 XXBAFSVSYIWUPU-UHFFFAOYSA-N 321.279 3.373 10 10 DGCE C[C@H](N[C@@H](C)c1ccccc1O)C(=O)Nc1ccc(F)c(F)c1 1654532629 YFSWHRSUDYPDIP-QWRGUYRKSA-N 320.339 3.348 10 10 DGCE COc1ccc(CNC[C@@H](C)N(C)C(=O)CC2(C)CC2)cc1C 1698835878 CAQHHFLXHUBXPX-OAHLLOKOSA-N 318.461 3.130 10 10 DGCE CC(C)COc1ccc(NC(=O)COc2ccc(N)cc2)cc1 1860078796 PWXGODWRBCSAKR-UHFFFAOYSA-N 314.385 3.321 10 10 DGCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)c2cc(Cl)cc(F)c2F)C1 1912198156 CWLLPRAOWSYOID-ZETCQYMHSA-N 300.696 3.391 10 10 DGCE CNCc1ccc(N(C)Cc2nccn2Cc2ccccc2)cc1 1915046588 ZKKGWKIGUUXELD-UHFFFAOYSA-N 320.440 3.287 10 10 DGCE C[C@@H]1C[C@@H](Nc2ccc(N)cc2)CN(C(=O)OC(C)(C)C)C1 1959359740 PGXPRIFCJPUFLG-IUODEOHRSA-N 305.422 3.326 10 10 DGCE CC[C@@H]1CCN(CCN=[N+]=[N-])[C@H](CNC(=O)OC(C)(C)C)C1 1962287634 LHHXKBQKHKKMFA-OLZOCXBDSA-N 311.430 3.312 10 10 DGCE CCC[C@H](O)CN(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 1977922400 GVSDMHKFXVEZDP-INIZCTEOSA-N 322.449 3.309 10 10 DGCE CN(C(=O)OC(C)(C)C)C1CCC(N)(c2ccccc2O)CC1 1979984099 MNZWGPRREROABF-UHFFFAOYSA-N 320.433 3.356 10 10 DGCE C[C@]1(F)C[C@H](CNCc2c(O)cccc2Br)C1 2021329917 KSDMQBWTOCPLOT-GMZHKTEUSA-N 302.187 3.383 10 10 DGCE Nc1cccc(Br)c1N[C@@H]1CCC[C@H]2OCC[C@H]12 2042307140 DVNVMBYNLALMRX-OASPWFOLSA-N 311.223 3.401 10 10 DGCE CN(CC1CC(C)(F)C1)c1ccc(CN)c(Br)c1 2065839630 IGKJMRVCVYOBGI-UHFFFAOYSA-N 315.230 3.482 10 10 DGCE Cc1cccc([C@H](C)n2nc(C3CCC3)cc2C(=O)O)c1O 2069856069 IKWSXWTVKXWXEL-NSHDSACASA-N 300.358 3.472 10 10 DGCE CC(C)c1cc(N)n(Cc2cc(Br)ccc2O)n1 2070121236 XXQVMVJZTZKQFZ-UHFFFAOYSA-N 310.195 3.105 10 10 DGCE CN(C[C@H]1C[C@@H]1CF)c1ccc(CN)c(Br)c1F 2071385701 ZPSGSYVCAAXEFV-NXEZZACHSA-N 319.193 3.089 10 10 DGCE C[C@H](O)c1ccc(N2C[C@](C)(F)[C@](C)(Br)C2)cc1 2084856237 MHTSCFLNRSVBCM-GDLCADMTSA-N 316.214 3.442 10 10 DGCE C[C@]12CC[C@@H]1CN(c1ccc(CN)c(Br)c1F)C2 2086877569 KNGXFCNXTIZXFX-QMTHXVAHSA-N 313.214 3.283 10 10 DGCE Cc1nc(Cl)c(NC(=O)Nc2ccc(N)cc2)c(Cl)n1 2191517246 SSIHXUNBQYFHII-UHFFFAOYSA-N 312.160 3.318 10 10 DGCE COCCNCc1c(OC)cccc1Sc1nccs1 2203467610 KCWMEFVWTOAJBK-UHFFFAOYSA-N 310.444 3.039 10 10 DGCE CSc1ncc(CN[C@@H]2CCNCc3ccccc32)s1 2284688585 LBXKDVVJCDFMDE-CQSZACIVSA-N 305.472 3.189 10 10 DGCE