smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCCC(=O)OC[C@@H](C)OC(=O)CCC 5819621 RWNOITVZTGQIRG-SECBINFHSA-N 216.277 2.062 0 30 BEAC C[C@@H](C1CC1)n1ncc2cnc(Cl)nc21 95097375 ZGDFVPRQXQRTPG-LURJTMIESA-N 222.679 2.451 0 30 BEAC O=c1oc2cccnc2n1Cc1ccccc1 127064 WRQQKMHBUJXSQG-UHFFFAOYSA-N 226.235 2.038 0 30 BEAC CCCC1(c2cccc(OC)c2)CN(C(N)=O)C1 2016490 FNHLPBGAHMPTRT-UHFFFAOYSA-N 248.326 2.127 0 30 BEAC COc1ccc([C@@H](C)N)c(Br)c1 3705387 DDOJRMAWVRDIQG-ZCFIWIBFSA-N 230.105 2.477 0 30 BEAC in-vitro COc1cc(C=O)ccc1O[C@@H]1CCCCO1 33610435 LLTXNXRCBBBYKB-CYBMUJFWSA-N 236.267 2.413 0 30 BEAC Nc1nc2c(F)c(F)c(F)c(F)c2s1 45237364 MVIHWYQJGLQSIR-UHFFFAOYSA-N 222.166 2.435 0 30 BEAC CCC1(CC)CNCCN1C(=O)OC(C)(C)C 95642300 WMOTWNLFWJSBHZ-UHFFFAOYSA-N 242.363 2.386 0 30 BEAC O=C1NC(=O)C(=Cc2ccccc2F)S1 2265233889 HWSHSFNYTZXIGL-UHFFFAOYSA-N 223.228 2.150 0 30 BEAC N[C@H]1CCOc2c(F)cc(Cl)cc21 75882236 OIVYNUIVZGGTAZ-QMMMGPOBSA-N 201.628 2.261 0 30 BEAC CC(C)(C)O[C@@H]1OCCO[C@H]1OC(C)(C)C 140181834 UNMVIWYPFPYOJZ-UWVGGRQHSA-N 232.320 2.316 0 30 BEAC CC(C)(C)OC(=O)N1C[C@H]2CCC[C@]1(CN)C2 306498779 GYBAGQFRLWEHDP-GXFFZTMASA-N 240.347 2.125 0 30 BEAC CCOC(=O)CCc1cc(OC)ccc1OC 73933628 XBOHFGDUPHTTGX-UHFFFAOYSA-N 238.283 2.200 0 30 BEAC FC(F)(F)Cc1nsc(Cl)n1 83645911 CBBYGYHKZLAYAN-UHFFFAOYSA-N 202.588 2.296 0 30 BEAC Cc1cc(Br)cc2c1CNCC2 90225781 CISXTPCBPUYQGO-UHFFFAOYSA-N 226.117 2.403 0 30 BEAC in-vitro CC(=O)c1cnc(Br)cc1C 238152848 XXQZKSNBIVQNIY-UHFFFAOYSA-N 214.062 2.355 0 30 BEAC Cc1cc(-c2noc(C(C)(C)C)n2)no1 123455 QUSCPBCBQQAVCE-UHFFFAOYSA-N 207.233 2.331 0 30 BEAC Cc1cccc(NC(=O)C2CCC2)c1C(=O)O 152163 NLJVKXQGKYTASO-UHFFFAOYSA-N 233.267 2.432 0 30 BEAC CCOc1oc(=O)c2cc(N)ccc2c1Cl 27633901 OQPYHSIRELTTOU-UHFFFAOYSA-N 239.658 2.427 0 30 BEAC OC[C@H]1CCCN1c1cccc(O)c1Cl 145820341 CXROCNOZAXIEJM-MRVPVSSYSA-N 227.691 2.007 0 30 BEAC N=C(N)c1ccc(-c2ccc(O)cc2)cc1 1433256 LYXGPCCFLYQXMQ-UHFFFAOYSA-N 212.252 2.343 0 30 BEAC Nc1cccnc1N1CCC(C(F)(F)F)CC1 36047415 TZYOIOYMQYIUDR-UHFFFAOYSA-N 245.248 2.443 0 30 BEAC CN(C)c1ccc2cc(C=O)cnc2c1 38301928 ZGXRBOAJQJTINR-UHFFFAOYSA-N 200.241 2.113 0 30 BEAC N[C@H]1CC[C@H](C[C@H]2CC[C@H](N)CC2)CC1 111852004 DZIHTWJGPDVSGE-KVVVAFMNSA-N 210.365 2.412 0 30 BEAC Nc1ccccc1-c1cn2c(CO)csc2n1 202841731 KVFJHSIEIRSBFR-UHFFFAOYSA-N 245.307 2.137 0 30 BEAC C[C@H]1Cn2nccc2CN1C(=O)OC(C)(C)C 307608357 DMKHMDWQRSPOAU-VIFPVBQESA-N 237.303 2.022 0 30 BEAC CC(C)[C@H]1CNC(=O)N1Cc1ccccc1 1565503701 DBIXWYDXJHRNEC-GFCCVEGCSA-N 218.300 2.236 0 30 BEAC COc1ccccc1[C@]1(C)C[C@@H]1C(=O)O 49813403 PDMBEGHTKKCRMG-SKDRFNHKSA-N 206.241 2.057 0 30 BEAC in-vitro Brc1cncc(-n2ccnc2)c1 72192794 JRGBDKMZPHTEQM-UHFFFAOYSA-N 224.061 2.030 0 30 BEAC in-vitro COC(=O)CSc1cc(Cl)ccn1 91351920 WIBMMZXESPNIDC-UHFFFAOYSA-N 217.677 2.000 0 30 BEAC Cc1cnc2cc(Br)ccn12 116197111 FZZZDKXATURHJQ-UHFFFAOYSA-N 211.062 2.405 0 30 BEAC CC(C)(C)OC(=O)NC[C@H](CC1CC1)C(=O)O 232502563 MVNTYKSTPOWNJZ-VIFPVBQESA-N 243.303 2.012 0 30 BEAC CCOC(=O)CC[C@H](C)SCC(=O)OCC 32137173 ADEVUMSKUFQWSV-VIFPVBQESA-N 248.344 2.015 0 30 BEAC CN1CCC[C@@H](CN)[C@@H]1c1cccs1 69796362 DPKWXOKHANQUNA-GXSJLCMTSA-N 210.346 2.090 0 30 BEAC N[C@H]1CCc2cc(Br)c(Cl)nc21 2265385618 RWJWGHBAOVUKOP-LURJTMIESA-N 247.523 2.444 0 30 BEAC O[C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 306645867 FYGATCWFCMOQQG-CYBMUJFWSA-N 217.312 2.176 0 30 BEAC C[C@H](CCO)Nc1ccc(Br)cn1 96867079 LQDUMIBCBURZOL-SSDOTTSWSA-N 245.120 2.027 0 30 BEAC Nc1nc2cnc(C(F)(F)F)cc2s1 89229249 NGENSIZADFVCDM-UHFFFAOYSA-N 219.191 2.292 0 30 BEAC CCC1=N[C@@](C)(C(=O)O)Cc2ccccc21 90415209 TVYGSNHPABSXAA-CYBMUJFWSA-N 217.268 2.285 0 30 BEAC C[C@H](O)CC[C@H](C)OC(=O)c1ccccc1O 44710191 SNVAUMORJDHTNM-UWVGGRQHSA-N 238.283 2.099 0 30 BEAC C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N[C@@H]1C 306273981 JRWSHTPBPKDBAQ-GMTAPVOTSA-N 242.363 2.288 0 30 BEAC CCCc1nn(CC)cc1C(=O)OCC 39101450 VDYWGYQYPYJKCV-UHFFFAOYSA-N 210.277 2.032 0 30 BEAC CCc1cc(C(=O)N[C@H](CC)CO)sc1C 35109632 IFUMHORVGTVDOK-SNVBAGLBSA-N 241.356 2.120 0 30 BEAC NC[C@@](O)(c1ccccc1Cl)C(F)(F)F 47843925 ZTXSMHZVNXHZOC-MRVPVSSYSA-N 239.624 2.049 0 30 BEAC in-vitro CC(=O)CSc1nc(-c2ccccc2)n[nH]1 75335 MCZYFMZUQYDUNX-UHFFFAOYSA-N 233.296 2.153 0 30 BEAC CS(=O)(=O)c1ccccc1-c1ccc(N)cc1 34484076 DDXKAGIILGJQOZ-UHFFFAOYSA-N 247.319 2.339 0 30 BEAC Nc1nc(Cl)c(F)cc1Br 238650621 HRFOIFRSAJMKSN-UHFFFAOYSA-N 225.448 2.219 0 30 BEAC Cn1c(C(=O)OC(C)(C)C)c[nH]c1=S 307060302 JEFXBVDPXPOPFA-UHFFFAOYSA-N 214.290 2.038 0 30 BEAC CC(=O)N1C=C(C2=CCCCN2C(C)=O)CCC1 32265165 UUURKRDEOFBXQC-UHFFFAOYSA-N 248.326 2.039 0 30 BEAC Brc1cc2[nH]ncc2s1 84325570 LBUXNAQNSVZRMM-UHFFFAOYSA-N 203.064 2.387 0 30 BEAC CC(C)[C@@H](C)[C@@H](CN)NC(=O)OC(C)(C)C 307274177 MJFPHLGXBDGXKH-NXEZZACHSA-N 230.352 2.131 0 30 BEAC OC1(c2ccccc2)CCC2(CC1)OCCO2 21984632 JUTTXLGMDSGZCE-UHFFFAOYSA-N 234.295 2.191 0 30 BEAC CC[C@@H](OC(=O)CC(=O)O)c1ccc(C)cc1 1853125 DXFANIGIQOZRMR-LLVKDONJSA-N 236.267 2.464 0 30 BEAC Cc1ccc([C@H](N)C(=O)O)cc1C(F)(F)F 72196435 BJXHBHYTQRATCF-QMMMGPOBSA-N 233.189 2.098 0 30 BEAC C[Si](C)(C)c1cc(Cl)nnc1Cl 196193054 RMZGQDLXADOHDV-UHFFFAOYSA-N 221.163 2.329 0 30 BEAC CC(C)(C)OC(=O)N[C@@H]1CCNC2(CCC2)C1 261507240 GTMJBUVQKIEMFM-SNVBAGLBSA-N 240.347 2.186 0 30 BEAC O=C(OCc1ccccc1)c1ccc(O)cc1O 5104295 NENFFQGUGLZPPY-UHFFFAOYSA-N 244.246 2.455 0 30 BEAC Brc1cnc2sccn12 211565923 GUMIYPXTEYKCBT-UHFFFAOYSA-N 203.064 2.158 0 30 BEAC in-vitro NCC1(c2ccccn2)CC2(CCC2)C1 87617291 BXVPTSBDOQIYOS-UHFFFAOYSA-N 202.301 2.242 0 30 BEAC C[C@@H](c1ccccc1)c1cc(C(=O)O)n[nH]1 136668228 ZFQFUEWIACTWNQ-QMMMGPOBSA-N 216.240 2.260 0 30 BEAC O=C(O)C(F)(F)CCc1ccccc1 38812212 RNXIVWTWKFJRGM-UHFFFAOYSA-N 200.184 2.339 0 30 BEAC CC(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 215085644 RAJZCIOEJRDKLT-SNVBAGLBSA-N 227.304 2.223 0 30 BEAC CCOC(=O)[C@@]12CCCCC1=NCCC2 196370238 IBTHFRDLDLEHCG-GFCCVEGCSA-N 209.289 2.345 0 30 BEAC COC1=CC(=O)O[C@@H](c2ccccc2)C1 21999089 QJWYZCXQARCGMV-LLVKDONJSA-N 204.225 2.205 0 30 BEAC COC(=O)[C@H](C)CC(=O)c1ccccc1 43368943 BHAJKRHRCMDFEC-SECBINFHSA-N 206.241 2.069 0 30 BEAC CCn1ccnc1[C@@H](Cc1ccccc1)NC 69497450 JEYPDAQLVVKQKB-CYBMUJFWSA-N 229.327 2.406 0 30 BEAC Nc1ccc(Br)nc1C(F)(F)F 95929672 WOKKPJCRAHUJTP-UHFFFAOYSA-N 241.010 2.445 0 30 BEAC CC(C)CCC/C=C/[C@H]1CC(=O)OC1=O 100124957 LEPCLHGXVYGPQO-STUBTGCMSA-N 210.273 2.459 0 30 BEAC CC(C)(C)OC(=O)N1[C@H]2C=C(CO)C[C@H]1CC2 725261777 HJXWPKPVSDNPGM-GHMZBOCLSA-N 239.315 2.077 0 30 BEAC COC(=O)C=Cc1ccc(Cn2ccnc2)cc1 2265336322 FTLRFDGBBQSQMJ-UHFFFAOYSA-N 242.278 2.118 0 30 BEAC COc1cc(O)cc(OC)c1Br 34275837 DANCJFHGXPUGFD-UHFFFAOYSA-N 233.061 2.172 0 30 BEAC CN(C(=O)OCc1ccccc1)[C@@H]1CCCCN1 54965262 QJBVAVPQTNRWIH-CYBMUJFWSA-N 248.326 2.355 0 30 BEAC CC(C)c1nnc([C@H]2CC23CCNCC3)o1 72266799 GPQCZMCXDRFDDP-SECBINFHSA-N 221.304 2.050 0 30 BEAC Cc1nc([C@@H]2CCCOC2)sc1C(=O)O 76071194 WYTNXIDKKIJMCI-SSDOTTSWSA-N 227.285 2.044 0 30 BEAC in-vitro Nc1sc(-c2ccccc2)nc1C(=O)O 84492502 QAPCSUPFLLDDAO-UHFFFAOYSA-N 220.253 2.091 0 30 BEAC O=C(O)c1cc2oc(Br)cc2[nH]1 95933248 WZMNTSZIYSQDAN-UHFFFAOYSA-N 230.017 2.222 0 30 BEAC CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H](O)C1 121854070 OJYZYWNWTHPMGT-NXEZZACHSA-N 229.320 2.062 0 30 BEAC O=C(O)COCc1ccc(C(F)(F)F)cc1 135223242 SXWYDCAACSVYPS-UHFFFAOYSA-N 234.173 2.307 0 30 BEAC C[C@@H]1CN(Cc2ccccc2)CC[C@H]1CN 145838489 WMERLLDQCPOUQM-OCCSQVGLSA-N 218.344 2.103 0 30 BEAC CC(=O)c1nnn(-c2ccc(F)cc2F)c1C 141383 ONRUHMZGNYVFAX-UHFFFAOYSA-N 237.209 2.057 0 30 BEAC O=c1[nH]c(-c2ccccc2)nc2ccc(O)cc12 18096578 IYHUGVSWIKGCHL-UHFFFAOYSA-N 238.246 2.296 0 30 BEAC c1ccc2sc(CN3CCNCC3)cc2c1 22867493 DNOQQPCOMSIPBP-UHFFFAOYSA-N 232.352 2.307 0 30 BEAC CCc1nc2ccccc2nc1NC(C)=O 39101866 ZKHVNAZGCDQGAB-UHFFFAOYSA-N 215.256 2.151 0 30 BEAC OB(Oc1ccccc1)Oc1ccccc1 195768928 HORRDWBRNSMTIZ-UHFFFAOYSA-N 214.029 2.122 0 30 BEAC Cc1c(C[C@H](N)C(=O)O)sc2ccccc12 128268 IHEGSBLMOKRTJL-VIFPVBQESA-N 235.308 2.164 0 30 BEAC CCOC(=O)/C=C/c1cccc(N=C=O)c1 5650495 VUFWMWBNRFMIHW-VOTSOKGWSA-N 217.224 2.230 0 30 BEAC COc1c(Br)ccc2nccn12 238338216 HVVDQPDIOVZJNM-UHFFFAOYSA-N 227.061 2.105 0 30 BEAC CC(C)(C)CCc1ncc2c(n1)CCNC2 300890300 PPOCJQGWYZNDIJ-UHFFFAOYSA-N 219.332 2.101 0 30 BEAC O=C(Cc1ccc(F)cc1F)C(F)F 87449743 XEPMGPNPVAYYSS-UHFFFAOYSA-N 206.138 2.342 0 30 BEAC CCOc1c(Cl)cc(C)nc1C(=O)O 148245192 MVLGLVVCSDHZFA-UHFFFAOYSA-N 215.636 2.140 0 30 BEAC Brc1ncnn1-c1ccccc1 196370091 VVKRUJQGEZCXRQ-UHFFFAOYSA-N 224.061 2.030 0 30 BEAC CC(C)(C)OC(=O)N[C@H]1CC12CCC(N)CC2 217123493 LPXWLUDPPZPQMK-QUNCOHTASA-N 240.347 2.171 0 30 BEAC NCc1cnc(Cc2ccccc2)s1 11760611 AUVTVBGVBIKEGL-UHFFFAOYSA-N 204.298 2.193 0 30 BEAC COC[C@@H](OC)[C@@H](OC)c1ccccc1 32144233 RTHWDOKITCVVIH-NEPJUHHUSA-N 210.273 2.036 0 30 BEAC CC(=O)Nc1ccc2sc(C)nc2c1O 45237392 BBKXDRJWILWKCI-UHFFFAOYSA-N 222.269 2.269 0 30 BEAC COC[C@@H](N)c1cccc(Br)c1 77358937 OXIKOZKITYOZAS-SECBINFHSA-N 230.105 2.095 0 30 BEAC CC1(C)CC(=O)N(Cc2ccccc2)[C@@H](O)C1 200978560 CBUCOELMPGQVKW-LBPRGKRZSA-N 233.311 2.154 0 30 BEAC CC(C)(C)O[C@@H](Cc1ccccc1)C(=O)O 220392587 DSRAXLWJLVSPSD-NSHDSACASA-N 222.284 2.497 0 30 BEAC Nc1ncc(C(F)(F)F)nc1C(F)(F)F 238678720 HWPILMLGOLUPOC-UHFFFAOYSA-N 231.099 2.096 0 30 BEAC O=C1c2ccccc2CC[C@H]1n1ccnc1 21994617 GQRADTVKEIYYAK-GFCCVEGCSA-N 212.252 2.253 0 30 BEAC Fc1cccc(-n2nccc2-c2ncccn2)c1 72190523 LYFMLWHYWOQJAF-UHFFFAOYSA-N 240.241 2.468 0 30 BEAC COc1c(Br)cccc1CC(=O)O 96879606 AKHATHUBPYOHDU-UHFFFAOYSA-N 245.072 2.085 0 30 BEAC CSc1cccc(F)c1C(N)=S 125601960 LFAFDPDJBUHLGG-UHFFFAOYSA-N 201.291 2.182 0 30 BEAC CN[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 86401494 BAMKOIDUXZSDIE-VHSXEESVSA-N 228.336 2.042 0 30 BEAC Cn1ccc(-c2ccc(Cl)c(C(=O)O)c2)n1 141334230 CFTBMYIZYRCNAP-UHFFFAOYSA-N 236.658 2.439 0 30 BEAC CC1(C)C[C@@H](O)CN1Cc1ccccc1 258847823 QHHWNZGAHJFNBO-GFCCVEGCSA-N 205.301 2.032 0 30 BEAC CC(C)(C)OC(=O)N1CC[C@H](O)C12CCCC2 299805589 WDPCWAUAPKJGQB-JTQLQIEISA-N 241.331 2.301 0 30 BEAC c1ccc([C@@H]2OC[C@H]([C@H]3CCCCN3)O2)cc1 31703253 XKGUUISNOPCNKA-MGPQQGTHSA-N 233.311 2.243 0 30 BEAC N[C@H]1CCc2[nH]c(C3CCCCC3)nc2C1 74077956 NYAVATPUTHELAJ-JTQLQIEISA-N 219.332 2.273 0 30 BEAC N[C@H](CCc1cccc2ccccc12)C(=O)O 95642260 OESPMGURVQOYRN-CYBMUJFWSA-N 229.279 2.184 0 30 BEAC CC(=O)CCCN1CCSC(C)(C)C1 135215174 LBLSPFSHRLDKGW-UHFFFAOYSA-N 215.362 2.183 0 30 BEAC Cc1nc2cccc(Br)c2c(=O)o1 196709830 HMKNHUBWERKEDA-UHFFFAOYSA-N 240.056 2.259 0 30 BEAC NS(=O)(=O)c1cccc(-c2cccs2)c1 222103118 GNXOCDKMJBTWHX-UHFFFAOYSA-N 239.321 2.063 0 30 BEAC COC(=O)c1scc2c(O)cc(C)nc12 260276045 BPSKJYVXOUWLBH-UHFFFAOYSA-N 223.253 2.097 0 30 BEAC C[C@@H](O)c1ccc(-n2cccn2)c(F)c1 35631797 ORNJAZNBTXRTHF-MRVPVSSYSA-N 206.220 2.065 0 30 BEAC in-vitro CCO[C@@H]1[C@@H](C(=O)OC(C)(C)C)C1(C)C 45805952 OWPRHODKWDOPFI-DTWKUNHWSA-N 214.305 2.389 0 30 BEAC CC(C)[C@@H]1CN(c2ccccc2)CCN1 83059933 PAGHICNGHPHTLW-ZDUSSCGKSA-N 204.317 2.121 0 30 BEAC in-vitro CCOC(=O)Cc1ccc(C(F)(F)F)cn1 95642725 DGOIELBPFXIBEL-UHFFFAOYSA-N 233.189 2.206 0 30 BEAC CCOC(=O)CCCCc1cc(O)cc(O)c1 205585218 BNNCXKKZZLVTKG-UHFFFAOYSA-N 238.283 2.374 0 30 BEAC O=C1C[C@@H](C2CC2)N(Cc2ccccc2)C1 238854287 NIJDOHIJSQTSJD-AWEZNQCLSA-N 215.296 2.240 0 30 BEAC in-vitro C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[C@@H](C)N1 306378432 GJFLAZAAQXIUNF-JGPRNRPPSA-N 242.363 2.288 0 30 BEAC CC(C)(C)OC(=O)NCC1CC(CC(=O)O)C1 725242482 JQDUFLLXGZYFJU-UHFFFAOYSA-N 243.303 2.012 0 30 BEAC CCNC(=O)c1c(SC)nsc1SC 32265133 DNPFXCKPTYVATJ-UHFFFAOYSA-N 248.398 2.337 0 30 BEAC N[C@@H](C(=O)O)c1cc(Cl)sc1Cl 306240646 QTMBSLGXUZVVCE-SCSAIBSYSA-N 226.084 2.139 0 30 BEAC NC(=O)C1(NC2CCCCC2)CCCCC1 66771 JCECHFSIKQEWSJ-UHFFFAOYSA-N 224.348 2.097 0 30 BEAC CCOc1cc([C@@H]2C[C@@H](C)CN2)ccc1O 3705293 JJSWTYULFULIFV-KOLCDFICSA-N 221.300 2.461 0 30 BEAC COc1ccc(CSc2ccc(N)nn2)cc1 21297574 XAMRILMSCLEPCB-UHFFFAOYSA-N 247.323 2.360 0 30 BEAC CC(C)c1ccc([C@@H]2CNC(=O)C2)cc1 57491758 NABDJDULMZJDJD-LBPRGKRZSA-N 203.285 2.414 0 30 BEAC O=Cc1cccc(-c2cccc(C(=O)O)n2)c1 65347202 LTFYKXWXQGLZFN-UHFFFAOYSA-N 227.219 2.259 0 30 BEAC O=C(O)c1sc(Cl)nc1C(F)F 536952247 QOCLNNAUYJQRTJ-UHFFFAOYSA-N 213.592 2.432 0 30 BEAC in-vitro CCCc1ccc(N2C(=O)C=CC2=O)cc1 100150 OXBAUQMVAZPIFA-UHFFFAOYSA-N 215.252 2.069 0 30 BEAC Cc1ccccc1-n1ccc([C@H](C)N)n1 74212011 JTCPYPIUHYKRSL-JTQLQIEISA-N 201.273 2.200 0 30 BEAC CC1(CN)CCN(Cc2ccccc2)CC1 205697253 YABJOWCDCJBOOW-UHFFFAOYSA-N 218.344 2.247 0 30 BEAC C[C@@H]1C[C@H](Cc2ccccc2)CNC1=O 207344405 VJGFPCSAWUVUSX-ZYHUDNBSSA-N 203.285 2.001 0 30 BEAC O=C(O)c1ccc(O[C@H]2CC2(F)F)cc1 521399807 SKMMNFWHMXBWRZ-QMMMGPOBSA-N 214.167 2.171 0 30 BEAC Cc1ccc(S(=O)(=O)[N@@]2[C@H]3CCC=C[C@H]32)cc1 2265352282 ZKIDRRFCDGTGHN-HZSPNIEDSA-N 249.335 2.087 0 30 BEAC CCc1cc(CC)c(O)c(C(C)=O)c1O 33506357 NAIUVEYPIKQZIB-UHFFFAOYSA-N 208.257 2.425 0 30 BEAC CCN(CCO)c1ccc([N+]#N)cc1C 38652013 RSECNVZXKOUFNM-UHFFFAOYSA-N 206.269 2.298 0 30 BEAC COC(=O)[C@H](C(C)=O)c1ccc(Cl)cc1 71532975 MIEIQQTWYPKNQJ-SNVBAGLBSA-N 226.659 2.186 0 30 BEAC CC[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O 307601505 SDDWFXLEBNUWSZ-MRVPVSSYSA-N 217.309 2.061 0 30 BEAC COc1cccc(OC)c1/C=C(\C)[N+](=O)[O-] 33845462 BTHUWEKTWWOHCT-BQYQJAHWSA-N 223.228 2.341 0 30 BEAC CCOCC(=O)c1ccc(C2OCCO2)s1 95932877 FPCVFXJGGOJYTC-UHFFFAOYSA-N 242.296 2.013 0 30 BEAC Cc1nc(Cl)c(Br)cc1N 238529204 FHDMIBLCBCOCNT-UHFFFAOYSA-N 221.485 2.388 0 30 BEAC Cc1ccc(C(=O)Nc2ccccn2)c(O)c1 19837369 YQFPRERVEAVCMA-UHFFFAOYSA-N 228.251 2.348 0 30 BEAC COc1ccc(CNCCc2ccccn2)cc1 19916363 YTGVMSUUFXOHII-UHFFFAOYSA-N 242.322 2.423 0 30 BEAC CC(C)(C)[C@@H](N=O)C(C)(C)O[N+](=O)[O-] 5354513 HURYWNGDZHVCPR-ZCFIWIBFSA-N 204.226 2.154 0 30 BEAC CC1(C)O[C@H]2Cc3c(O)cccc3C[C@H]2O1 5762611 VHQZRMCDYDICCK-NEPJUHHUSA-N 220.268 2.011 0 30 BEAC in-vitro Nc1cnc(-c2ccc(Cl)s2)nc1 34961981 GOGHYMATGSGROR-UHFFFAOYSA-N 211.677 2.441 0 30 BEAC CCOc1cccc2[nH]cc(CC(=O)O)c12 39100557 FGDBZHCLFNFJAG-UHFFFAOYSA-N 219.240 2.194 0 30 BEAC in-vitro C1CSC2(CCCNCC2)SC1 39325835 QCAOMHLBLGTALV-UHFFFAOYSA-N 203.376 2.326 0 30 BEAC O=C(Cc1ccccc1)Nc1ccc(CO)cc1 85202607 ZZGQHDKSXPRTFJ-UHFFFAOYSA-N 241.290 2.360 0 30 BEAC O=c1[nH][nH]cc2c3cc(Cl)ccc3nc1-2 138018386 SDYXMJSEWRKLST-UHFFFAOYSA-N 219.631 2.009 0 30 BEAC in-vitro CCOC(=O)NC(=S)OCc1ccccc1 71779127 JUDUZTLWYNAWGX-UHFFFAOYSA-N 239.296 2.234 0 30 BEAC COc1ccc2nc(Cl)sc2n1 95642483 OULPUEUXOWTDDC-UHFFFAOYSA-N 200.650 2.353 0 30 BEAC C/C=C/CNc1ccc(C(=O)O)c(O)c1 96331679 DSFWJRYHSGROAG-NSCUHMNNSA-N 207.229 2.078 0 30 BEAC O=C(OCc1ccccc1)N1CCCC[C@@H](O)C1 97757630 ADANQYYHJVOFNG-CYBMUJFWSA-N 249.310 2.170 0 30 BEAC CC(C)(C)[C@H](N)C(=O)OCc1ccccc1 97922849 CFEYNMWFKQPQMR-LLVKDONJSA-N 221.300 2.103 0 30 BEAC COc1cc(OC)cc(C(C)(C)C(=O)O)c1 33487190 MLVODMWFYGCLMO-UHFFFAOYSA-N 224.256 2.066 0 30 BEAC CSc1nnc(NCC2CC2)s1 4324334 WBPGJFUKMLPLON-UHFFFAOYSA-N 201.320 2.082 0 30 BEAC CO[C@@H]1CC2(CCNCC2)Oc2ccccc21 36143766 GQKDHPVSGVBESR-CYBMUJFWSA-N 233.311 2.279 0 30 BEAC Cc1cccc(C[C@@H](N)[C@H]2CCCO2)c1 83712482 MYJINOUQHVHLNH-CHWSQXEVSA-N 205.301 2.044 0 30 BEAC COc1cc([C@@H]2CCNC2)cc(F)c1F 215654922 YTPQHHDEAKDEBB-SSDOTTSWSA-N 213.227 2.050 0 30 BEAC Cc1cc(O)cc(C)c1C[C@@H](C)C(=O)O 4202640 LPPITBJXYYCDEQ-SECBINFHSA-N 208.257 2.272 0 30 BEAC CN(C)C[C@@H]1CCc2[nH]c3ccccc3c2C1=O 22002116 UEWOZJZAMBVKAE-JTQLQIEISA-N 242.322 2.475 0 30 BEAC NC[C@H]1CCc2cc(Br)ccc21 89064154 VWQZJOMQTCXOCG-MRVPVSSYSA-N 226.117 2.438 0 30 BEAC CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H](CN)C1 950757141 ADUMKRQRWXUZEM-JTQLQIEISA-N 242.363 2.228 0 30 BEAC CNc1ncc2ccc(Br)cc2n1 1565504804 LTQUQFXSGQOEJH-UHFFFAOYSA-N 238.088 2.434 0 30 BEAC CCCCCN(C)C[C@H](O)c1cccc(N)c1 1851775 MXUBNUMMIHAQBF-AWEZNQCLSA-N 236.359 2.424 0 30 BEAC CN1CCCC[C@H]1c1nn(C)c2c1CCCCN2 3697782 QHJFIGAGCJJGAI-LBPRGKRZSA-N 248.374 2.325 0 30 BEAC C[C@@H](NC(=S)N=c1cc[nH]cc1)C(C)(C)C 13724784 TYNORQRGVYNOSO-SECBINFHSA-N 237.372 2.225 0 30 BEAC CC(C)C(=O)OC[C@@H](C)[C@@H](O)C(C)(C)C 32218789 WXFRFCWHHBELIH-NXEZZACHSA-N 216.321 2.229 0 30 BEAC CCOC(=O)c1ccc(NC2CC2)cc1 34566129 BONKADOTDLVBQA-UHFFFAOYSA-N 205.257 2.438 0 30 BEAC CCc1cc(C2=CCCN(C)C2)n(CC)n1 34597625 ACLGPFXTJSNPLG-UHFFFAOYSA-N 219.332 2.184 0 30 BEAC CC(C)(C)OC(=O)N[C@@H]1CCCCC(=O)C1 83324177 GQWFMCBUKYHHSW-SECBINFHSA-N 227.304 2.413 0 30 BEAC CC(=O)OCC(=O)[C@H]1[C@H]2CC[C@@H](C2)C1(C)C 111898381 MXJCPTYDEJUXMD-JBLDHEPKSA-N 224.300 2.191 0 30 BEAC CNC(=O)Oc1cccc([C@@H](C)N(C)C)c1 967935 KQOUPMYYRQWZLI-SECBINFHSA-N 222.288 2.027 0 30 BEAC biogenic,in-vitro CC(=O)CCC(=O)OCCc1ccccc1 5159514 FJEDCBJSNFURKI-UHFFFAOYSA-N 220.268 2.142 0 30 BEAC CCOC(=O)C[C@@H](N)C1CCCCCC1 84328233 WBJKCQALBSMNTD-LLVKDONJSA-N 213.321 2.237 0 30 BEAC N[C@@H]1CCc2nc(C(F)(F)F)ccc21 95642489 GZPFSASNOVRBBH-ZCFIWIBFSA-N 202.179 2.046 0 30 BEAC c1cc2c3c(c1)[C@@H]1CCC[C@@H]1CN3CCNC2 11689463 NPTIPEQJIDTVKR-CHWSQXEVSA-N 228.339 2.494 0 30 BEAC in-vitro CCOC(OCC)c1ccc(CO)cc1 34622993 NJIFFRZXYZKPFQ-UHFFFAOYSA-N 210.273 2.251 0 30 BEAC Cc1nccc(N(C)C)c1Br 38235957 ZDTOZPJZYIVMOJ-UHFFFAOYSA-N 215.094 2.219 0 30 BEAC CCCCOC(=O)N1CCC(N)(CC)CC1 95932642 QCFVDHDDJXBDCB-UHFFFAOYSA-N 228.336 2.126 0 30 BEAC COC(=O)[C@H](Br)[C@@H](C)C(F)(F)F 219117971 ZXLOLPNINIAKAJ-QWWZWVQMSA-N 249.026 2.121 0 30 BEAC CC(=O)[C@@H]1CCCN(c2ccccc2F)C1=O 1535191178 UHRARZCJDQSHPH-JTQLQIEISA-N 235.258 2.158 0 30 BEAC C[C@H]1CN=C(SCc2ccccc2)N1 13464775 OCQROYRCXHNHQK-VIFPVBQESA-N 206.314 2.268 0 30 BEAC CCN[C@@H](C)[C@@H](O)c1ccc(C)c(C)c1 39105562 OBPVXOPEMRBTNE-WCQYABFASA-N 207.317 2.335 0 30 BEAC O=C(O)Cc1ccc(-c2ccccc2)cn1 47212108 GJUCYUUYZYZDBM-UHFFFAOYSA-N 213.236 2.376 0 30 BEAC O=C(O)CCc1ccc2cccnc2c1 82780966 FURFVKMNVNSHFC-UHFFFAOYSA-N 201.225 2.252 0 30 BEAC CC(C)(C)OC(=O)NCC1(CCN)CCC1 1535956349 CEUZCXIDIWNZRL-UHFFFAOYSA-N 228.336 2.030 0 30 BEAC CCOC(=N)[C@@H](O)c1cc(F)ccc1OCC 34102022 ADXVLXXNRHOWQM-NSHDSACASA-N 241.262 2.272 0 30 BEAC CC[C@@]1(c2cccc(O)c2)CNC[C@@H](C)O1 39102277 QULXWNLDZUFRSG-MFKMUULPSA-N 221.300 2.006 0 30 BEAC COC(=O)[C@@H](c1ccc(C)cc1)C1CCNCC1 84078671 FUMCDFSNXHQHFM-AWEZNQCLSA-N 247.338 2.251 0 30 BEAC CC1=CN(O)[C@@H](c2ccc(O)cc2)N=N1 85432594 TWBYJKVZHPTLIL-JTQLQIEISA-N 205.217 2.409 0 30 BEAC C[C@H]1[C@@H](C(=N)N)C[C@@H](C)N1c1ccccc1 299803552 XPJKPTUBPLKSAC-SCVCMEIPSA-N 217.316 2.226 0 30 BEAC CC1=N[C@H](C(=O)O)[C@@H](c2ccccc2)C1 39105221 PHXKWRYOGMHQPP-MNOVXSKESA-N 203.241 2.088 0 30 BEAC COC(=O)c1cc(S)ccc1Cl 74942813 NAMYVTASRSWOIO-UHFFFAOYSA-N 202.662 2.415 0 30 BEAC in-vitro CC1=N[C@@H](C(=O)O)[C@@H](c2ccccc2)C1 39105222 PHXKWRYOGMHQPP-GHMZBOCLSA-N 203.241 2.088 0 30 BEAC COc1cccc(OC)c1-c1ccc(CO)cn1 39927642 NRRLCANPEHQGEN-UHFFFAOYSA-N 245.278 2.258 0 30 BEAC NCCCc1ccc(O)c(Br)c1 44279573 JKMJNNOTXYLSJO-UHFFFAOYSA-N 230.105 2.046 0 30 BEAC Clc1cnc(CC2CCNCC2)s1 84397191 UPYFJSSDRMLYDV-UHFFFAOYSA-N 216.737 2.339 0 30 BEAC CN[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 86401498 BAMKOIDUXZSDIE-NXEZZACHSA-N 228.336 2.042 0 30 BEAC CC(C)(C)CC[C@H](N)C(=O)OC(C)(C)C 136840126 ZWLWKIMBIOMKAZ-VIFPVBQESA-N 215.337 2.482 0 30 BEAC in-vitro FC(F)(Cl)c1n[nH]cc1Br 2265385555 KISTXSIGRQBVFN-UHFFFAOYSA-N 231.427 2.460 0 30 BEAC CC(=O)N[C@@H](CCCN(C)C)c1ccccc1 1853343 NYIGZNRKGBCDJB-AWEZNQCLSA-N 234.343 2.206 0 30 BEAC CC(=O)Nc1cccc(C(=O)[C@@H](C)NC(C)C)c1 33638439 CIYUJYPWSOZEMA-SNVBAGLBSA-N 248.326 2.214 0 30 BEAC CCC[C@@H]1OC(=O)C2=C1Oc1ccccc1O2 35090837 AWXZVBDNHWDFDH-JTQLQIEISA-N 232.235 2.395 0 30 BEAC COC(=O)Cc1cc(Cl)c(O)c(Cl)c1 71782215 KNGPFDQTMHMXDW-UHFFFAOYSA-N 235.066 2.415 0 30 BEAC O=C(O)C[C@@H]1OCc2cc(Cl)ccc21 141710877 LYPABKILTVLNSU-VIFPVBQESA-N 212.632 2.386 0 30 BEAC CCOC(=O)c1cnc(CC)nc1C(C)C 8700222 NMHSQRMCDIMJJI-UHFFFAOYSA-N 222.288 2.339 0 30 BEAC O=S(=O)(c1ccccc1S)C(F)(F)F 35355059 GVJAZUWDFRTERD-UHFFFAOYSA-N 242.243 2.269 0 30 BEAC in-vitro Nc1cccc2c1CCN[C@@H]2C(F)(F)F 57219170 PUSXLLMFSROTFL-VIFPVBQESA-N 216.206 2.018 0 30 BEAC COC(=O)c1ccc(-c2csc(N)n2)s1 95093161 DSCWKEYMBPGWEB-UHFFFAOYSA-N 240.309 2.240 0 30 BEAC Cc1cc(O)ccc1C(=O)C(F)(F)F 107710023 XWBGWEOULCQKOK-UHFFFAOYSA-N 204.147 2.446 0 30 BEAC CCC(=O)O[C@@H]1C=C[C@H]2[C@@H]1[C@H]1C=C[C@H]2C1 111885991 MIXFYHGXLDJZDK-ONYIWYLUSA-N 204.269 2.316 0 30 BEAC C[C@@](CO)(NCc1ccccc1)C(F)(F)F 235380661 CYNILXSMIHUWHA-JTQLQIEISA-N 233.233 2.090 0 30 BEAC O=C(O)c1c(Br)ccc2[nH]cnc12 238695381 XTWMPUYFKQHOLW-UHFFFAOYSA-N 241.044 2.024 0 30 BEAC O=C1Cc2ccccc2C(Br)=CN1 2265351248 UKZCDCACMDNOJE-UHFFFAOYSA-N 238.084 2.052 0 30 BEAC O=C(O)C(F)(F)c1ccc2ccccc2n1 107258284 XUNXDUNKTURICT-UHFFFAOYSA-N 223.178 2.411 0 30 BEAC NNc1c(Cl)cccc1Br 114685479 RJOGDNNQQSGBEY-UHFFFAOYSA-N 221.485 2.388 0 30 BEAC NCCC/C=C/CC/C=C/CCC(=O)O 38615116 DBYBTIHLLFVDFH-GGWOSOGESA-N 211.305 2.483 0 30 BEAC O=C(O)c1ccc2c3c(cccc13)[C@@H](C(=O)O)C2 223524819 QNJTZBPPRMWCKW-NSHDSACASA-N 242.230 2.262 0 30 BEAC COc1ccc2c(c1OC)C[C@@H](C)C2=O 21989877 RRGLXSHXUVBPPY-SSDOTTSWSA-N 206.241 2.079 0 30 BEAC CCOC(=O)C1(C(=O)OCC)CC2(CCC2)C1 86544427 RYNGLMJYZDBNLT-UHFFFAOYSA-N 240.299 2.063 0 30 BEAC O=C(O)C1(c2ccc(Cl)c([N+](=O)[O-])c2)CC1 34559209 CCWSKXKFNYZDNP-UHFFFAOYSA-N 241.630 2.364 0 30 BEAC CC(C)(C)OC(=O)N[C@H]1CCCCC(=O)C1 83324178 GQWFMCBUKYHHSW-VIFPVBQESA-N 227.304 2.413 0 30 BEAC COC(=O)c1ccc2c(c1)[C@@H](CC(=O)O)CCC2 407985655 FDQUTDCTRXZYFY-SNVBAGLBSA-N 248.278 2.368 0 30 BEAC FC1(F)Oc2cccc([C@H]3CCCN3)c2O1 72202422 WIZTWMGNTAHDEN-MRVPVSSYSA-N 227.210 2.433 0 30 BEAC CC(C)C[C@H](CN)CC(=O)OC1CCCC1 83862714 KYJLVEAIIWLWII-NSHDSACASA-N 227.348 2.483 0 30 BEAC Clc1cc(Br)c2nncn2c1 84886149 PNVXWJDDMTWGBV-UHFFFAOYSA-N 232.468 2.145 0 30 BEAC c1ccc(-c2ccnc3c2CNCCO3)cc1 95616843 HRYMFLWLMYNUBD-UHFFFAOYSA-N 226.279 2.231 0 30 BEAC O=C1NCN=C(c2ccccc2)c2ccccc21 38892834 HWRVIUJQKCGXNN-UHFFFAOYSA-N 236.274 2.225 0 30 BEAC C[S@](=O)Cc1cccc(Br)c1 2265351754 QARPUTQQISKHFR-NSHDSACASA-N 233.130 2.328 0 30 BEAC CCc1ccc(CCN2CCOCC2)cc1 39102121 ZQTNLWUYFOGYBZ-UHFFFAOYSA-N 219.328 2.124 0 30 BEAC COc1ccc([C@@H](N)C(F)F)cc1F 87688371 BSJSZDJLQOBJEX-MRVPVSSYSA-N 205.179 2.099 0 30 BEAC COc1cc2c(cc1OC)C(=O)C[C@H](C)C2 80184551 BBRBRTKBBDVNOL-MRVPVSSYSA-N 220.268 2.469 0 30 BEAC O=c1[nH]ccc2c(F)c(Br)ccc12 142578082 KOZJUQFJIAHTKQ-UHFFFAOYSA-N 242.047 2.430 0 30 BEAC O=C1C[C@H](C2CC2)N(Cc2ccccc2)C1 238854288 NIJDOHIJSQTSJD-CQSZACIVSA-N 215.296 2.240 0 30 BEAC in-vitro Cc1ccc(N2C(=O)CC(C)CC2=O)cc1 2154591 DXPWZGIZWPBUSB-UHFFFAOYSA-N 217.268 2.285 0 30 BEAC CC[C@@H](C)c1ccc([C@@H](CO)C(=O)O)cc1 39120464 HEXNJMIPLVINJV-BXKDBHETSA-N 222.284 2.361 0 30 BEAC Nc1cc(Cl)nc(Br)c1 95761417 XSEUOIBVCAZEDO-UHFFFAOYSA-N 207.458 2.080 0 30 BEAC Cc1cc([N+](=O)[O-])c(C(=O)O)cc1Cl 150074970 AFGAORZJNYXGEV-UHFFFAOYSA-N 215.592 2.255 0 30 BEAC O=C1C[C@@H](c2cc(Br)cs2)CN1 685939407 USWZSKJTLCGTRW-RXMQYKEDSA-N 246.129 2.114 0 30 BEAC CC(C)(C)OC(=O)[C@@]12CC[C@@H](C[C@H]1N)C2(C)C 1535640404 DQAIKBZZCYJITD-IMSIIYSGSA-N 239.359 2.482 0 30 BEAC CC(C)(C)OC(=O)N1[C@H]2CCC[C@@H](N)[C@H]1CC2 1535647649 YUESIUMAIVLKEI-HBNTYKKESA-N 240.347 2.266 0 30 BEAC C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCC1=O 2265384657 GAXQNHMLUMVDFL-IUCAKERBSA-N 227.304 2.269 0 30 BEAC CC[C@]1(c2cccc(O)c2)CNC[C@H](C)O1 39102274 QULXWNLDZUFRSG-GXFFZTMASA-N 221.300 2.006 0 30 BEAC CNCc1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1 52380758 WGVAHBURXCRAAF-BETUJISGSA-N 248.370 2.015 0 30 BEAC CC1=CN(O)[C@H](c2ccc(O)cc2)N=N1 85432592 TWBYJKVZHPTLIL-SNVBAGLBSA-N 205.217 2.409 0 30 BEAC Cn1cc(-c2nc(Br)cs2)cn1 86292057 GTTHVKFCBZEMRI-UHFFFAOYSA-N 244.117 2.306 0 30 BEAC Cc1cn2nccc2cc1Br 116886657 KVTMFDPFCLXNCZ-UHFFFAOYSA-N 211.062 2.405 0 30 BEAC FC(F)(F)c1cn[nH]c1Br 221655726 LURICFKQKMFTLN-UHFFFAOYSA-N 214.972 2.191 0 30 BEAC COc1ccc(-c2cc(CCN(C)C)on2)cc1 2038855 UCVKEFXOTIEFHQ-UHFFFAOYSA-N 246.310 2.454 0 30 BEAC CNc1cc(-c2ccccc2OC)[nH]n1 62667585 WREHLNZJQJEIGY-UHFFFAOYSA-N 203.245 2.127 0 30 BEAC in-vitro C[C@H]1CN[C@@H](Cc2ccc(Cl)cc2)CO1 71532526 QUPLJPIJRLSDFC-CABZTGNLSA-N 225.719 2.259 0 30 BEAC CCOC(=O)C[C@@H]1CCC[C@H](OC)C1 98210074 PZGQPIICZWXACX-ZJUUUORDSA-N 200.278 2.145 0 30 BEAC in-vitro C[C@H](N)CC[C@@H]1CNCc2ccccc21 1535645809 NALYXDIDTXRDTE-CMPLNLGQSA-N 204.317 2.001 0 30 BEAC COc1ccc(C=C2[C@H](O)C3CCN2CC3)cc1 2265279504 YKANHTOQMROFTM-OAHLLOKOSA-N 245.322 2.123 0 30 BEAC O=C1CS[C@@H](c2cccnc2)N1CC1CC1 100834 FMSFLRXNZIRXFQ-LBPRGKRZSA-N 234.324 2.066 0 30 BEAC OCc1nc(-c2ccccc2)[nH]c1Cl 34464176 LADULBKGSLECIA-UHFFFAOYSA-N 208.648 2.222 0 30 BEAC OCCC#Cc1ccc(Br)cc1 146688199 LFAYOHVYLGSCIR-UHFFFAOYSA-N 225.085 2.183 0 30 BEAC CN(C(=O)OC(C)(C)C)[C@@H]1CCC[C@H](N)C1 211522607 WOZAJTZCTUXUPI-VHSXEESVSA-N 228.336 2.123 0 30 BEAC C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1O 219379625 CBZNOKAFOMSSLW-KXUCPTDWSA-N 229.320 2.061 0 30 BEAC O=C(C=Cc1ccccc1)Nc1ncccn1 2265239497 CQXHRJBWOYRCJL-UHFFFAOYSA-N 225.251 2.129 0 30 BEAC Cc1cc(Br)c(C(=O)O)cc1O 306201976 WAZYIJHDZNJNLT-UHFFFAOYSA-N 231.045 2.161 0 30 BEAC O=C1CC2(CCCC2)Oc2ncccc21 1535543748 SMGBFMYCSJJUKW-UHFFFAOYSA-N 203.241 2.360 0 30 BEAC CCCC(=O)OC[C@H](C)OC(=O)CCC 5819624 RWNOITVZTGQIRG-VIFPVBQESA-N 216.277 2.062 0 30 BEAC CN(C(=O)c1ccccc1)[C@H]1CCCC[C@H]1O 10328821 JQOZSLMREYIJDE-QWHCGFSZSA-N 233.311 2.062 0 30 BEAC Cc1ccc(N(C)C(N)=S)cc1Cl 39124811 OTIOSGHSOYSVHH-UHFFFAOYSA-N 214.721 2.328 0 30 BEAC O=c1c(Br)c[nH]c2ccc(F)cc12 41701993 QSPBBVCQEYHYBA-UHFFFAOYSA-N 242.047 2.430 0 30 BEAC NC1([C@@H](O)c2ccc(F)cc2)CCCC1 71511510 VKZQCCQUBGRSDB-NSHDSACASA-N 209.264 2.131 0 30 BEAC CC(C)C[C@@](C)(Br)C(=O)O 78240290 DUYIJJWSBHNLSD-SSDOTTSWSA-N 209.083 2.271 0 30 BEAC C[Si](C)(C)N(C(N)=O)[Si](C)(C)C 196680319 JYOQNYLFMVKQHO-UHFFFAOYSA-N 204.422 2.037 0 30 BEAC Fc1cccn2cc(Br)nc12 215335848 BBUVXCKJFDSDFI-UHFFFAOYSA-N 215.025 2.236 0 30 BEAC CCCC[C@@H](O)COC[C@H](O)CCCC 38643383 RYRFLXXPQQYFTJ-VXGBXAGGSA-N 218.337 2.105 0 30 BEAC NCc1cnc(-c2ccccc2F)s1 40996517 RBZPJGXLUOVZHO-UHFFFAOYSA-N 208.261 2.408 0 30 BEAC Nc1ccccc1-c1noc(C2CC2)n1 44732144 JKQNHXNRSWQPHW-UHFFFAOYSA-N 201.229 2.196 0 30 BEAC in-vitro N[C@@]1(C(F)(F)F)CCc2ccccc21 82670808 BVHDBTDFAYSBCV-VIFPVBQESA-N 201.191 2.349 0 30 BEAC in-vitro O=C(O)[C@@H]1CCCN1c1cccc(O)c1Cl 144229763 VBZHENWFVMPLLB-QMMMGPOBSA-N 241.674 2.099 0 30 BEAC CC(C)(C)OC(=O)N1CC[C@H]2CC[C@H](N)[C@H]1C2 669379324 BYJPOAKKHGBLSP-OUAUKWLOSA-N 240.347 2.123 0 30 BEAC CC(C)c1ccc(NC(=O)/C=C/C(=O)O)cc1 97252 NSMYFMFTSJZRGG-BQYQJAHWSA-N 233.267 2.389 0 30 BEAC CCN(CC)Cc1ccc(OC)c(N)c1 21012822 JZAYHNPCECPREX-UHFFFAOYSA-N 208.305 2.119 0 30 BEAC Fc1ccc(Cc2noc([C@@H]3CCCN3)n2)cc1 36925429 IYILMVBHWCQFTO-NSHDSACASA-N 247.273 2.224 0 30 BEAC in-vitro Nc1cc(-c2c(F)cc(F)cc2F)no1 83446371 WZZRFNWFPYULIK-UHFFFAOYSA-N 214.146 2.341 0 30 BEAC CC(C)(O)C(=O)c1ccc(Br)cc1 113289921 NXIFFDQGAUFWEU-UHFFFAOYSA-N 243.100 2.403 0 30 BEAC CC(C)(C)OC(=O)N1CC(CCCC(=O)O)C1 215852662 KSKBTIBSNQGTKO-UHFFFAOYSA-N 243.303 2.108 0 30 BEAC C[C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)N1 238439261 FQRMBGGAKFARQJ-RKDXNWHRSA-N 214.309 2.299 0 30 BEAC CC(C)(C)OC(=O)NCCC1(CO)CCC1 846019829 XYQXTXPZBKFCFJ-UHFFFAOYSA-N 229.320 2.064 0 30 BEAC O=C(NC1Cc2ccccc2C1)C1CCC1 171410 XNELPGPTZRKWFR-UHFFFAOYSA-N 215.296 2.070 0 30 BEAC COC(=O)Cc1cc(C)nc2ccccc12 5159941 MSWWDPYIXQXSKI-UHFFFAOYSA-N 215.252 2.259 0 30 BEAC CN1CC[C@@H](N)[C@@H]1c1ccc(Cl)cc1 69798945 YSPYNRIBDIUMEQ-MNOVXSKESA-N 210.708 2.044 0 30 BEAC in-vitro NC(=O)c1cnc2ccsc2c1Cl 90585824 IHFQBSOQVRHVCP-UHFFFAOYSA-N 212.661 2.049 0 30 BEAC Brc1cnc2c(c1)NCCC2 95763866 RPSHDZDEBVGYAJ-UHFFFAOYSA-N 213.078 2.202 0 30 BEAC O=C1Nc2ccccc2[C@@H]1Cc1ccccn1 100226487 PUNDIKJAFURLNT-LBPRGKRZSA-N 224.263 2.360 0 30 BEAC Cc1cccnc1[C@H]1NCCc2cc(O)ccc21 38805223 QNCOEDSGEFGFNB-HNNXBMFYSA-N 240.306 2.331 0 30 BEAC CCN(CC)n1cc(C)c2ccccc(=O)c21 39111225 XAVZWWPCCYQCKM-UHFFFAOYSA-N 230.311 2.288 0 30 BEAC Cc1cc(C(=O)O)nc(C(F)(F)F)c1 95761012 UNECHLXEXKMTIF-UHFFFAOYSA-N 205.135 2.107 0 30 BEAC CC1(C)C[C@@]23[C@@H]4COC(=O)[C@@H]2CC[C@H]1[C@H]3CC4=O 254074030 BBIDMUQZCCGABN-NDXHXBTESA-N 248.322 2.191 0 30 BEAC biogenic Nc1nc(C(F)(F)F)c2ccccc2n1 259236265 DOZREXQIKURZCY-UHFFFAOYSA-N 213.162 2.231 0 30 BEAC O[C@H]1CCN(Cc2ccccc2)C2(CC2)C1 306645869 FYGATCWFCMOQQG-ZDUSSCGKSA-N 217.312 2.176 0 30 BEAC c1ccc2cc([C@@]34CNC[C@@H](CO3)O4)ccc2c1 1768 CQBDDBLIDNKCRV-GJZGRUSLSA-N 241.290 2.011 0 30 BEAC in-man Sc1cc2ccccc2c2nncn12 39124935 ILJBSUPVDADBGS-UHFFFAOYSA-N 201.254 2.171 0 30 BEAC CN1CCc2ccc(Br)cc21 39394805 KXJIMNJESWOULY-UHFFFAOYSA-N 212.090 2.441 0 30 BEAC NCc1cnc(-c2cccc(F)c2)s1 40996529 HGRVVNPPBBVNEN-UHFFFAOYSA-N 208.261 2.408 0 30 BEAC COc1cc(Br)ccc1CCCN 44281289 OXURAAPXMZEYQC-UHFFFAOYSA-N 244.132 2.349 0 30 BEAC in-vitro O=C(O)[C@H](O)CCCCCc1ccccc1 95829947 CBTJVUUTIZLNKZ-GFCCVEGCSA-N 222.284 2.235 0 30 BEAC CC(C)(C)OC(=O)NC[C@H]1NCCCC1(C)C 306296775 IGLGVDQPXFGFLT-SNVBAGLBSA-N 242.363 2.289 0 30 BEAC CSc1ccc(C(=O)Cn2ccnc2)cc1 5424684 XOCANYCBIQEMJX-UHFFFAOYSA-N 232.308 2.488 0 30 BEAC Cc1ccn(-c2ccc(Br)cn2)n1 52885084 DMROWLPQAHNHGB-UHFFFAOYSA-N 238.088 2.338 0 30 BEAC in-vitro Cc1ccccc1-c1nn(C)c(N)c1C 36938054 MJNKPGOJHNMJAP-UHFFFAOYSA-N 201.273 2.286 0 30 BEAC CCOC(=O)[C@@H](C)Nc1ccccc1C 37954846 RQDUMNMYVCQOHC-SNVBAGLBSA-N 207.273 2.359 0 30 BEAC CC(C)(C)O[C@H]1OCCO[C@@H]1OC(C)(C)C 140181959 UNMVIWYPFPYOJZ-NXEZZACHSA-N 232.320 2.316 0 30 BEAC CC(C)[C@@H]1CC[C@@H](C)C[C@]1(O)CCO 143415863 PXRXEDWPGDGPQZ-GRYCIOLGSA-N 200.322 2.192 0 30 BEAC Cc1nc(-c2nc(C)c(Cl)c(=O)[nH]2)cs1 13469567 ZMTFAUKEEHGXRP-UHFFFAOYSA-N 241.703 2.164 0 30 BEAC Cc1cc(C(C)(C)C)cc(C)c1S(N)(=O)=O 5120096 ROUPAKVULVAJAP-UHFFFAOYSA-N 241.356 2.248 0 30 BEAC Cc1c(Br)ccc2c(C=O)n[nH]c12 14985892 IBWRVJFENOQITQ-UHFFFAOYSA-N 239.072 2.446 0 30 BEAC in-vitro C[C@@](N)(Cc1ccc2ccccc2c1)C(=O)O 34206557 KHIAMTDWCDARAE-CQSZACIVSA-N 229.279 2.184 0 30 BEAC CC(=O)O[C@@H]1CCN(C)c2ccccc21 39105379 KYFJGZVIBPSWHY-GFCCVEGCSA-N 205.257 2.131 0 30 BEAC Nc1ccc(O)cc1C(=O)c1ccccc1 39207850 QEXHJUBVRXHZQW-UHFFFAOYSA-N 213.236 2.205 0 30 BEAC CC(C)(C)OC(=O)C1(C)CCC(=O)CC1 91352933 XRQRHMGKLNSSIE-UHFFFAOYSA-N 212.289 2.478 0 30 BEAC Fc1ccc(C=Cc2ccnc3ncnn23)cc1 2265276516 RLUJXPKHISIJOX-UHFFFAOYSA-N 240.241 2.434 0 30 BEAC CO[C@@H](c1ccc(Br)cc1)[C@@H](C)N 42956393 WMCBXGLHDYAABK-GMSGAONNSA-N 244.132 2.484 0 30 BEAC in-vitro Cn1c(Br)cc2cnc(Cl)nc21 238527871 CSAAGBRTPPZHLJ-UHFFFAOYSA-N 246.495 2.384 0 30 BEAC CC(C)(c1ccc(O)cc1)c1cc[nH]n1 107370500 ZZLRORWBHHLUQH-UHFFFAOYSA-N 202.257 2.441 0 30 BEAC Cc1nc(C)c(Br)cc1N 202739890 CQCNFOWWTYOJGS-UHFFFAOYSA-N 201.067 2.043 0 30 BEAC C[C@H](c1ccccc1)[C@@H](N)C(=O)OC(C)(C)C 211206319 WNWAEQQJVUIGDT-ZYHUDNBSSA-N 235.327 2.459 0 30 BEAC CC1(C)[C@]2(C)CC[C@@]1(C(=O)O)CC2=NO 254343330 NSRBNLPONXTVQG-MNOVXSKESA-N 211.261 2.118 0 30 BEAC C[C@H]1CN(c2ncnc3ccsc23)C[C@@H](C)O1 12410481 SVUFRCMCWNRJQQ-DTORHVGOSA-N 249.339 2.305 0 30 BEAC CC(C)[C@]12OC[C@H](Cn3c1nc1ccccc13)O2 33872816 WLJKVKOOUBZWQD-IINYFYTJSA-N 244.294 2.274 0 30 BEAC O=C(O)Cc1cscc1Br 86556368 SESCJJUZTNWZIJ-UHFFFAOYSA-N 221.075 2.138 0 30 BEAC in-vitro C[C@@]1(c2ccc(C(=O)O)c(F)c2)CCO1 958691636 FGYWVAQGOBVCCX-NSHDSACASA-N 210.204 2.159 0 30 BEAC CC1(c2n[nH]cc2Br)CC1 87366971 ZHSMHQPNNJJNRU-UHFFFAOYSA-N 201.067 2.224 0 30 BEAC in-vitro Nc1c(Cl)cc(F)c(F)c1[N+](=O)[O-] 116256783 XUJPRQRBMZGTCP-UHFFFAOYSA-N 208.551 2.109 0 30 BEAC Cc1cc(C)c(C)c(CC(=N)NO)c1C 2547473 GDQMKKDIILVBDI-UHFFFAOYSA-N 206.289 2.419 0 30 BEAC CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC[C@@](C)(O)CO 33975939 XCNCWOPROFTLGU-RQJABVFESA-N 244.375 2.207 0 30 BEAC Cn1[nH]c(-c2ccc(Cl)cc2)cc1=O 34477538 FWOQNTZWNQAZAI-UHFFFAOYSA-N 208.648 2.034 0 30 BEAC Nc1cnc2[nH]cc(-c3ccccc3)c2n1 953080620 NDXKYVJHBNQBKS-UHFFFAOYSA-N 210.240 2.207 0 30 BEAC CCOC(=O)c1c(C)noc1-c1ccco1 164502 IYYCWPLALONTLI-UHFFFAOYSA-N 221.212 2.420 0 30 BEAC Nc1ccc(COc2ccccc2)cn1 50831046 NDDFEPVVSHLMJT-UHFFFAOYSA-N 200.241 2.243 0 30 BEAC O=C(O)[C@@H]1CCn2c(cnc2-c2ccccc2)C1 84069252 NIOMROFCJYJCRC-LLVKDONJSA-N 242.278 2.197 0 30 BEAC C[C@H]1CCCN[C@@H]1CCNC(=O)OC(C)(C)C 307728859 ICACCNRRVDAXDM-WDEREUQCSA-N 242.363 2.289 0 30 BEAC C/C(Nc1ccccc1F)=C1/CCOC1=O 4334920 JWQLUTQWFLNTKL-CMDGGOBGSA-N 221.231 2.459 0 30 BEAC CC(C)(C)[C@H](N=O)C(C)(C)O[N+](=O)[O-] 5353967 HURYWNGDZHVCPR-LURJTMIESA-N 204.226 2.154 0 30 BEAC Oc1cccc(-c2c(O)cccc2O)c1 6092481 MMJVFOMJAGADPT-UHFFFAOYSA-N 202.209 2.470 0 30 BEAC CCC(=O)N1C=C([C@@H]2CCCCN2)CCC1 32204858 LNZRGMLQBYDXRU-LBPRGKRZSA-N 222.332 2.045 0 30 BEAC [O-][n+]1ccccc1-c1cccc(-c2ccccn2)n1 35654019 BWRXIGQRGNDRON-UHFFFAOYSA-N 249.273 2.444 0 30 BEAC COc1ccc([C@@H](C)C(C)=O)cc1OC 85662357 DIWFDYWHQAEIMY-QMMMGPOBSA-N 208.257 2.396 0 30 BEAC in-vitro O[C@H]1COCc2ccc(Br)cc21 95932894 NUQIXXRSWGBNBJ-VIFPVBQESA-N 229.073 2.013 0 30 BEAC CCOC(=O)C[C@H](N)C1CCC(F)(F)CC1 725272231 IZDPVDFWEFOMOC-VIFPVBQESA-N 235.274 2.092 0 30 BEAC COC(=O)c1ccc(C2(C(F)(F)F)CC2)cn1 2265383695 RDWYCAIMKPDOFK-UHFFFAOYSA-N 245.200 2.462 0 30 BEAC Nc1cccc2c1CN(c1ccccc1)C2=O 35855336 AOQQYASFOVZWHG-UHFFFAOYSA-N 224.263 2.429 0 30 BEAC CCOC(=O)c1nn(C(C)(C)C)cc1CC 39102503 MDVRVCJMGWHSIV-UHFFFAOYSA-N 224.304 2.377 0 30 BEAC COC(=O)c1cc2c(cc1OC)CCCC2 39277397 GIPIDPLEUNBMMG-UHFFFAOYSA-N 220.268 2.361 0 30 BEAC CCOC(=O)c1cnn(-c2ccccc2)c1F 66348294 KLWAPHJHTJFBAF-UHFFFAOYSA-N 234.230 2.188 0 30 BEAC Sc1cc2c(cc1Br)OCO2 221646879 LROYSBWSJYGXIR-UHFFFAOYSA-N 233.086 2.467 0 30 BEAC COC(=O)c1c(C2CC2)noc1Br 260698666 AMBQACYDIKMNTK-UHFFFAOYSA-N 246.060 2.101 0 30 BEAC Cc1ccccc1C12CC(C(=O)O)(C1)[C@@H]2F 2265384555 RTUYFJOBWSHOIP-QFWMXSHPSA-N 220.243 2.449 0 30 BEAC c1ccc(CN2CC[C@@H]3NCCC[C@H]3C2)cc1 252476224 MAIRFDXCHHKPFG-GJZGRUSLSA-N 230.355 2.261 0 30 BEAC C[C@H]1CC(=O)Nc2ccc(Cl)cc2O1 32217722 OBYMSPNSAICJJD-LURJTMIESA-N 211.648 2.450 0 30 BEAC OC1(c2ccccc2Br)CC1 54346779 AJTDUKPCPXJUMK-UHFFFAOYSA-N 213.074 2.431 0 30 BEAC in-vitro CCOc1cc(-c2ccccc2)nc(N)n1 40667 YPEHVZHWDUELGC-UHFFFAOYSA-N 215.256 2.125 0 30 BEAC COC(=O)C[C@H](N)c1ccccc1C(F)(F)F 20577478 YDOJADAEHIWPGC-VIFPVBQESA-N 247.216 2.268 0 30 BEAC C[C@@H](c1ccccc1)[C@H](N)C(=O)OC(C)(C)C 36421428 WNWAEQQJVUIGDT-JQWIXIFHSA-N 235.327 2.459 0 30 BEAC Oc1cccc(CNCc2ccncc2)c1 20140217 RSXSJMSASXLVOY-UHFFFAOYSA-N 214.268 2.077 0 30 BEAC Cc1cc(C)c(CN2CCCNCC2)c(C)c1 20300042 FNKQURSLYXVLGQ-UHFFFAOYSA-N 232.371 2.407 0 30 BEAC COc1cccc(C(=O)C[C@H]2CCCO2)c1 37464122 OPFDDZKNQFJRIT-GFCCVEGCSA-N 220.268 2.447 0 30 BEAC in-vitro O=C(O)[C@H]1CCn2c(cnc2-c2ccccc2)C1 84069250 NIOMROFCJYJCRC-NSHDSACASA-N 242.278 2.197 0 30 BEAC CC1(C)[C@H](O)CCN1Cc1ccccc1 107242030 RTPQOQBCLWOZLU-GFCCVEGCSA-N 205.301 2.032 0 30 BEAC CCCCCOB1O[C@H](C)C[C@@H](C)O1 195772051 UFPFSELYFQQVMK-NXEZZACHSA-N 200.087 2.392 0 30 BEAC CCOC(=O)[C@@H]1CCC(=O)c2ccccc21 238856693 WWUNGEOMLFJTPZ-LLVKDONJSA-N 218.252 2.310 0 30 BEAC in-vitro CCOC(=O)[P@](=O)(O)Oc1ccccc1 3653691 LMERQOPJWRIKCW-UHFFFAOYSA-N 230.156 2.407 0 30 BEAC CC(C)c1ccccc1N1CCNCC1 3716182 JQQVFOBGUYOMQP-UHFFFAOYSA-N 204.317 2.220 0 30 BEAC in-vitro CN(C)C=CC(=O)c1ccc(-n2ccnc2)cc1 16306376 FXWWXRGTJRQUCF-UHFFFAOYSA-N 241.294 2.130 0 30 BEAC NCc1cnn(-c2ccc(C(F)(F)F)cc2)c1 71550404 BTQRSJDYCVDDOH-UHFFFAOYSA-N 241.216 2.350 0 30 BEAC CCOCc1nc(C)c([C@@H](C)N)s1 84064982 UKPDHAAAHCVMAB-ZCFIWIBFSA-N 200.307 2.008 0 30 BEAC CC1(C)C[C@@H](CO)CN(C(=O)OC(C)(C)C)C1 258248562 MJXVHDHLCLSACT-SNVBAGLBSA-N 243.347 2.262 0 30 BEAC CCCCCC[C@H](COC(C)=O)OC(C)=O 5512575 RANGUUYBFDYGLF-GFCCVEGCSA-N 230.304 2.452 0 30 BEAC CCOC(=O)CCCCC[C@H](Cl)C=O 38611208 FMANXNQTSIOTCJ-VIFPVBQESA-N 220.696 2.306 0 30 BEAC O=C(OCc1ccccc1)[C@H]1CC1(F)F 95774577 BGIXDTNDARBZPA-SECBINFHSA-N 212.195 2.385 0 30 BEAC FC1(F)C[C@H]1n1nccc1Br 1535513489 PTCMCILWIOIQLK-SCSAIBSYSA-N 223.020 2.226 0 30 BEAC Nc1c2c(nc3cc(F)ccc13)CCC[C@@H]2O 14946467 GHPCZOLZFWUXCH-NSHDSACASA-N 232.258 2.326 0 30 BEAC COc1ccc(/C=C(\C)[N+](=O)[O-])cc1O 15657776 OPXFTPHZEPWGLN-FNORWQNLSA-N 209.201 2.038 0 30 BEAC Cc1cccc([C@@H]2NCCc3cc(O)ccc32)n1 33390296 SKSZOMKGBNRXFL-OAHLLOKOSA-N 240.306 2.331 0 30 BEAC O[C@@H](COC(F)(F)F)c1cccc(F)c1 68576515 KSCDHBCCWZPEGD-QMMMGPOBSA-N 224.153 2.396 0 30 BEAC O=C(OCc1ccccc1)[C@@H]1CC1(F)F 95774575 BGIXDTNDARBZPA-VIFPVBQESA-N 212.195 2.385 0 30 BEAC O=[S@](O)c1ccc(F)c(OC(F)F)c1 1535643112 CMKZDZALQHLNAE-UHFFFAOYSA-N 226.175 2.008 0 30 BEAC C[C@@H](N)c1ccc(OCC(F)F)cc1 37755422 JYOKSWMVKDLNIX-SSDOTTSWSA-N 201.216 2.350 0 30 BEAC O=Cc1cc(-n2cccn2)ccc1Cl 95935165 YYPRSDVFBKZPIG-UHFFFAOYSA-N 206.632 2.338 0 30 BEAC CC(C)(C)OC(=O)c1cccc(C(N)=S)c1 299805310 ICDHIWNFHHLVRR-UHFFFAOYSA-N 237.324 2.276 0 30 BEAC CCCCN1C[C@H](C)[C@H](OC(C)=O)C[C@H]1C 396142383 PZKYXLLMFSIYDV-DMDPSCGWSA-N 227.348 2.449 0 30 BEAC Cc1c(C(=O)O)[nH]c2cc(F)cc(F)c12 1536219777 ATUTWPREYFGBAD-UHFFFAOYSA-N 211.167 2.453 0 30 BEAC Cc1cc(NCc2cccnc2)sn1 15042027 IQZHNFJEMOZXAV-UHFFFAOYSA-N 205.286 2.459 0 30 BEAC O[C@H](COCc1ccccc1)C(F)(F)F 21999444 ZYMILHUZYNRDRY-SECBINFHSA-N 220.190 2.126 0 30 BEAC in-vitro CN(Cc1ccco1)Cc1ccccc1CN 35700750 LSELUBOXNJERCJ-UHFFFAOYSA-N 230.311 2.370 0 30 BEAC in-vitro COC(=O)c1cccc(C(C)(C)C)c1N 70569863 GJQCDROKTJQEGY-UHFFFAOYSA-N 207.273 2.353 0 30 BEAC in-vitro N[C@@H](c1ccccc1)c1ccc(C(=O)O)cc1 258265513 OWEYAOJOBHOEEQ-ZDUSSCGKSA-N 227.263 2.433 0 30 BEAC CCSc1ncc2cccc(C=O)n12 39423121 GELBCLWLUHGBSY-UHFFFAOYSA-N 206.270 2.259 0 30 BEAC in-vitro CO[C@@H](c1ccc(Br)cc1)[C@H](C)N 42956390 WMCBXGLHDYAABK-OIBJUYFYSA-N 244.132 2.484 0 30 BEAC in-vitro COC(=O)[C@@H]1CC2(CCCCC2)CC1=O 685959013 INVSDCMMHDENCQ-SECBINFHSA-N 210.273 2.089 0 30 BEAC CCC1=C[C@@H](O)C[C@H](OC(C)=O)C1(C)C 39101638 HWVHPUYCUKVYDH-MNOVXSKESA-N 212.289 2.045 0 30 BEAC CC(C)(C)OC(=O)Nc1nccc(Cl)n1 140378012 IBBOTESNTLXAKP-UHFFFAOYSA-N 229.667 2.477 0 30 BEAC COc1ccc(OC(F)(F)F)c(N)c1 238384578 DWGPKJXJLDKMSX-UHFFFAOYSA-N 207.151 2.176 0 30 BEAC CC(C)(C)OC(=O)N[C@@]1(C)CC1(F)F 584880375 JDBGQMPHAGWUOO-QMMMGPOBSA-N 207.220 2.309 0 30 BEAC CCOC(=O)N1CCC(O)(c2ccccc2)CC1 5650595 YDYRNUOFYGNGMF-UHFFFAOYSA-N 249.310 2.127 0 30 BEAC ONc1ccccc1I 15043175 WILXMBQRDXJYHW-UHFFFAOYSA-N 235.024 2.092 0 30 BEAC O=C1c2ccccc2CC[C@@H]1n1ccnc1 21994615 GQRADTVKEIYYAK-LBPRGKRZSA-N 212.252 2.253 0 30 BEAC O=C(O)c1c[nH]c2c(F)c(F)c(F)c(F)c12 22014404 XJULDFMKXBJQGD-UHFFFAOYSA-N 233.120 2.423 0 30 BEAC O=C(O)c1ccccc1[S@](=O)C(F)(F)F 37923088 MTEJDYCESKKPRC-OAHLLOKOSA-N 238.186 2.012 0 30 BEAC C/C=C\C[C@H]1CC(=O)C[C@H]1CC(=O)OC 63772262 JYZHNYACTQVZBM-CMIOBCHKSA-N 210.273 2.111 0 30 BEAC C[C@@H](N)c1cn2c(Br)cccc2n1 76792314 VLGFPESJCQZCNM-ZCFIWIBFSA-N 240.104 2.117 0 30 BEAC C[C@H](N)CC1CCN(C(=O)OC(C)(C)C)CC1 204760360 YXYQDYQALJVGBP-JTQLQIEISA-N 242.363 2.371 0 30 BEAC NCC(=O)c1ccccc1-c1ccccc1 238790218 IAYJMPHMCVGQQD-UHFFFAOYSA-N 211.264 2.495 0 30 BEAC C=CC(=O)OC[C@H](C)OC(=O)Nc1ccccc1 6020841 ZMZZSWXOXBPBTG-JTQLQIEISA-N 249.266 2.353 0 30 BEAC COC(=O)C[C@@H](N)c1ccccc1C(F)(F)F 20577475 YDOJADAEHIWPGC-SECBINFHSA-N 247.216 2.268 0 30 BEAC CCOc1cnc2cc(F)c(F)cc2n1 39099688 DOEWNAYXZWMVNS-UHFFFAOYSA-N 210.183 2.307 0 30 BEAC O=Cc1cccc(-c2ccc(C(=O)O)nc2)c1 65347201 OCVKVXSFCCQMFT-UHFFFAOYSA-N 227.219 2.259 0 30 BEAC CN1CC[C@@H](CN)[C@@H]1c1cccc(Cl)c1 68592620 ZIENPKRHFNGHTN-JQWIXIFHSA-N 224.735 2.292 0 30 BEAC FC(F)(F)[C@]1(NCc2ccccc2)CCOC1 95882051 GOWNSQPPHVFBFE-NSHDSACASA-N 245.244 2.498 0 30 BEAC CN1CC[C@@H](CN)[C@H]1c1cccc(Cl)c1 101397915 ZIENPKRHFNGHTN-CMPLNLGQSA-N 224.735 2.292 0 30 BEAC Brc1cnn(-c2ccccc2)n1 196162326 OOZQRQYBKXHSPT-UHFFFAOYSA-N 224.061 2.030 0 30 BEAC C[C@H](NCc1ccccc1)[C@@H](O)C(F)(F)F 536947481 OMMMWADSOLDJTE-WCBMZHEXSA-N 233.233 2.088 0 30 BEAC CC[C@@]1(c2cccc(O)c2)CNC[C@H](C)O1 39102275 QULXWNLDZUFRSG-GWCFXTLKSA-N 221.300 2.006 0 30 BEAC CSc1noc(NC(=O)OC(C)(C)C)n1 96032715 ODHWCFLRXNDELJ-UHFFFAOYSA-N 231.277 2.139 0 30 BEAC Cn1nc(C(C)(C)C)cc1Br 222958883 JRMOFIUPINXUJL-UHFFFAOYSA-N 217.110 2.480 0 30 BEAC CCOC(=O)[C@H]1CCC(=O)[C@@H](C)C1(C)C 335243744 WEWKDSKUVCTQRW-RKDXNWHRSA-N 212.289 2.191 0 30 BEAC c1ccc(NNC2CCC3(CC2)OCCO3)cc1 22007641 OGBMLIUZWYUEJU-UHFFFAOYSA-N 248.326 2.289 0 30 BEAC CN(C)C[C@H](N)C12CC3CC(CC(C3)C1)C2 23069975 YTAFOHJEJRSXPZ-PRTVBDMESA-N 222.376 2.092 0 30 BEAC COc1cc2c(cc1C=O)N(C)C(=S)CC2 39125025 JTOBTQWQJDOKKD-UHFFFAOYSA-N 235.308 2.218 0 30 BEAC Fc1ccccc1-n1nccc1-c1ncccn1 72190522 ZPKILXWCEZMCNS-UHFFFAOYSA-N 240.241 2.468 0 30 BEAC Cc1nc(N)c2ccc(Br)cc2n1 235971633 BITWYWGWWLBGNP-UHFFFAOYSA-N 238.088 2.283 0 30 BEAC COc1cc2cn(C)nc2cc1Br 575447806 ZMFZDYSIMWBSJM-UHFFFAOYSA-N 241.088 2.344 0 30 BEAC CCc1nc(/C=C2\C(=O)Nc3ccccc32)c[nH]1 13657188 HGTBDLWIYIDEEH-XFFZJAGNSA-N 239.278 2.465 0 30 BEAC COc1ccc(Cl)cc1-c1cn[nH]c1N 42413629 DDWSNPFRYQBQJQ-UHFFFAOYSA-N 223.663 2.321 0 30 BEAC CCC[C@@H](C(=O)O)n1ccc(C2CC2)n1 216111027 QLVCWRUHHOAYCP-JTQLQIEISA-N 208.261 2.186 0 30 BEAC O=[S@](O)c1ccc(OCc2ccccc2)cn1 1554693501 JZAAWCZRQCFSMD-UHFFFAOYSA-N 249.291 2.241 0 30 BEAC COC(=O)C=Cc1ccc(C(=O)C2CC2)cc1 2265279241 SRONYUUWYHVFHY-UHFFFAOYSA-N 230.263 2.466 0 30 BEAC CC(=O)NCCCC(=O)c1ccc(C)cc1 39110044 MYJDSUWALJUANG-UHFFFAOYSA-N 219.284 2.094 0 30 BEAC O=C(O)c1cccc2nc(S)sc12 45237142 QKZCJCIRGUQTJA-UHFFFAOYSA-N 211.267 2.283 0 30 BEAC Fc1c[nH]c2cc(Br)cnc12 96320848 OBZBIXACBUFGEI-UHFFFAOYSA-N 215.025 2.465 0 30 BEAC CC(=O)O[C@H](C)COC1CCCCC1 6036673 KALNAECRVKZDPI-SECBINFHSA-N 200.278 2.287 0 30 BEAC Nc1nc(Cc2ccccc2F)cs1 32627769 GZPIZKSLZPPUIX-UHFFFAOYSA-N 208.261 2.455 0 30 BEAC in-vitro COc1ccc([C@H](N)c2ccco2)cc1 35379613 DNNAXLMASPIHDI-LBPRGKRZSA-N 203.241 2.336 0 30 BEAC C[C@H]1CC[C@](NC(=O)OC(C)(C)C)(C(=O)O)C1 80469190 BJFXWWXEILERJS-QPUJVOFHSA-N 243.303 2.155 0 30 BEAC Fc1cc(Br)c(F)c2c1OCO2 216961262 XENVGLUTKSAJSL-UHFFFAOYSA-N 236.999 2.456 0 30 BEAC C[C@H](C(=O)O)c1ccnc(C(F)(F)F)c1 307442452 AGJCYZGJEXZNOB-YFKPBYRVSA-N 219.162 2.289 0 30 BEAC Brc1nnc(C2CC2)n1C1CC1 521399175 IRLLRDFCURSIPY-UHFFFAOYSA-N 228.093 2.253 0 30 BEAC in-vitro CN(C)C=C(C=O)c1ccc(Cl)cc1 12336333 WYRALGSIFBXIIV-UHFFFAOYSA-N 209.676 2.441 0 30 BEAC CCCN(C(=O)OC(C)(C)C)C1CCNCC1 58040477 QTWHFJVFMAHKRT-UHFFFAOYSA-N 242.363 2.386 0 30 BEAC COC1(OC)CC2(CN[C@H]2c2ccccc2)C1 390822118 GLJIKVXMKLAHOS-LBPRGKRZSA-N 233.311 2.100 0 30 BEAC O=C(OC1(O)CCCC1)C1CCCCC1 5188653 WJQYROTXDHVIDL-UHFFFAOYSA-N 212.289 2.373 0 30 BEAC Cc1scnc1CCOC(=O)C(C)C 33611419 KMEDDQQKAPHCLF-UHFFFAOYSA-N 213.302 2.193 0 30 BEAC endogenous,in-man NC1([C@H](O)c2ccc(F)cc2)CCCC1 71511511 VKZQCCQUBGRSDB-LLVKDONJSA-N 209.264 2.131 0 30 BEAC Cc1c(Br)ccc2c1CCNC2 216201454 PXKOTIPOXNSLKM-UHFFFAOYSA-N 226.117 2.403 0 30 BEAC C[C@H](NC(=O)OC(C)(C)C)c1cnco1 39093676 UVEJHAUWOKEFAL-ZETCQYMHSA-N 212.249 2.260 0 30 BEAC CC1=NN(c2ccc(F)cc2F)C(=O)C1 100865835 ZMCXBIFYKFYIGD-UHFFFAOYSA-N 210.183 2.077 0 30 BEAC CN(C[C@@H]1CCC[C@@H](N)C1)C(=O)OC(C)(C)C 211289036 AJLFJNFEZGEOCQ-GHMZBOCLSA-N 242.363 2.371 0 30 BEAC NC[C@H]1CN(Cc2ccccc2)CC12CCC2 521398902 GMASNXQZSDUFSG-AWEZNQCLSA-N 230.355 2.247 0 30 BEAC CC(C)(C)OC(=O)[C@@]12CC[C@@H](C[C@@H]1N)C2(C)C 1535640405 DQAIKBZZCYJITD-PKFCDNJMSA-N 239.359 2.482 0 30 BEAC CC(C)(C)C(=O)OCCOC(=O)C(C)(C)C 5439214 CECHHHFZXNTPMP-UHFFFAOYSA-N 230.304 2.165 0 30 BEAC c1ccc(CN2[C@@H]3CCNC[C@H]2CC3)cc1 38343406 WJNTXJZFBOWQPF-UONOGXRCSA-N 216.328 2.013 0 30 BEAC CC(C)(C)c1ccc2c(c1)OCC(=O)CO2 90659900 VFQHMVHBTUURKJ-UHFFFAOYSA-N 220.268 2.324 0 30 BEAC CC(C)(C)C(=O)C(C#N)=CN1CCCCC1 12410135 BKPMJCNQGZIVMG-UHFFFAOYSA-N 220.316 2.495 0 30 BEAC COc1cc(Cl)cc([C@H](C)O)c1OC 16697489 SSWSVUDBJHGMQN-LURJTMIESA-N 216.664 2.411 0 30 BEAC CCC1(CC)[C@H]([C@@H](C)C(=O)O)C[C@H]1C(=O)O 39102780 OSSAYYWZEULCCG-VGMNWLOBSA-N 228.288 2.234 0 30 BEAC COc1ccc2c(c1)[C@H](O)C[C@@H](C(F)F)O2 43464921 ARCRCIFIKXIOMZ-SCZZXKLOSA-N 230.210 2.145 0 30 BEAC O=C(O)C1(c2ccccc2)CC(F)(F)C1 238854453 NTWMVKXVOBZZRL-UHFFFAOYSA-N 212.195 2.438 0 30 BEAC in-vitro COCCO[C@@H](C)OCc1ccccc1 2568154 CNGTXGHYZBQUQS-LLVKDONJSA-N 210.273 2.212 0 30 BEAC endogenous,in-man Cc1cccc(CNC2CCN(C)CC2)c1 20133892 FBLDNJMXNBXXPJ-UHFFFAOYSA-N 218.344 2.179 0 30 BEAC COc1ccccc1[C@]1(C)C[C@H]1C(=O)O 49813405 PDMBEGHTKKCRMG-CABZTGNLSA-N 206.241 2.057 0 30 BEAC in-vitro C/C=C/[C@H](NC(=O)OC(C)(C)C)C(=O)OCC 34218503 PKGMTZSUJIBSEV-ORZBULNSSA-N 243.303 2.019 0 30 BEAC CC1(CO)CCN(Cc2ccccc2)CC1 72266627 PXRXXAWVTCEAMW-UHFFFAOYSA-N 219.328 2.281 0 30 BEAC in-vitro CCOC(=O)C(=O)CC(=O)c1ccc(C)c(C)c1 100443847 PUGQIIOTHJFXBQ-UHFFFAOYSA-N 248.278 2.008 0 30 BEAC in-vitro CCOC(=O)C(F)(F)c1nc(CC)cs1 260196150 MYPCOOIJYJIUSN-UHFFFAOYSA-N 235.255 2.360 0 30 BEAC COC(=O)c1ccc(C(F)(F)F)c(F)n1 396118172 YRVSDMARSHQSAG-UHFFFAOYSA-N 223.125 2.026 0 30 BEAC CCOC(=O)[C@H](F)[C@@H](C)C(F)(F)F 1535541007 NAAUPNOTJFHXRA-RFZPGFLSSA-N 202.147 2.086 0 30 BEAC CC(=O)N[C@H](CCCN(C)C)c1ccccc1 1853344 NYIGZNRKGBCDJB-CQSZACIVSA-N 234.343 2.206 0 30 BEAC NC(=O)c1ccnc(SCc2ccccc2)c1 2524924 OZGBSJBGQSMJOR-UHFFFAOYSA-N 244.319 2.473 0 30 BEAC COc1ccc(-c2noc(Cl)n2)cc1OC 37926785 JHEMIGZRMCNGNU-UHFFFAOYSA-N 240.646 2.407 0 30 BEAC COC(=O)[C@@H](C(=O)c1ccccc1)C(C)C 43502448 OFSPVPOCRMGQFE-LLVKDONJSA-N 220.268 2.315 0 30 BEAC in-vitro Cn1ccnc1-c1cncc(Br)c1 82739516 IOFYWMKFWQUIGH-UHFFFAOYSA-N 238.088 2.245 0 30 BEAC N[C@H]1CCc2cc(O)c(Br)cc21 83295830 JCDKOSOUISRKSS-QMMMGPOBSA-N 228.089 2.101 0 30 BEAC CC1(C)C[C@H]2C[C@@](C)(CN2C(N)=S)C1 100292517 ICYDFFFZVAJNOH-GZMMTYOYSA-N 212.362 2.131 0 30 BEAC CC(C)(C)NNC(=S)Nc1ccc(F)cc1 99623 KKBMLFAAAGUBTC-UHFFFAOYSA-N 241.335 2.415 0 30 BEAC C[C@@H](O)C(=O)Oc1ccc2ccccc2c1 2041193 RTXHNOBSQMHTSB-SECBINFHSA-N 216.236 2.126 0 30 BEAC CN(C[C@@H]1CCCNC1)c1ccccc1 19502828 DUMSCKUGOCOOSG-GFCCVEGCSA-N 204.317 2.122 0 30 BEAC N[C@@H](CCO)c1ccc2ccccc2c1 32099009 KCFXGMLFKOPOPM-ZDUSSCGKSA-N 201.269 2.222 0 30 BEAC Cc1ccccc1OC[C@H](O)COC(C)C 33852171 LCTSOABYLNTYGL-GFCCVEGCSA-N 224.300 2.160 0 30 BEAC FC(F)OCCCNCc1ccccc1 95883970 AMEWTQWCNRKLEQ-UHFFFAOYSA-N 215.243 2.406 0 30 BEAC in-vitro Fc1cc(F)cc([C@@]2(F)CCNC2)c1 107143650 PDOGFKRZZSBEGE-SNVBAGLBSA-N 201.191 2.123 0 30 BEAC COC(=O)c1cnc(C)c(Cl)c1Cl 112974763 XCXCPXNSOKPNBO-UHFFFAOYSA-N 220.055 2.483 0 30 BEAC O=C(O)[C@@H]1C[C@H]1c1ccc(Br)nc1 114030693 JTVUIBKAAUOMFG-NKWVEPMBSA-N 242.072 2.032 0 30 BEAC CCNC(=N)NCC1C2CC3CC(C2)CC1C3 693148217 GKPMCHKJTWWYLH-UHFFFAOYSA-N 235.375 2.193 0 30 BEAC COC(=O)[C@@H]1CC[C@H]2[C@@H](CC1)C2(F)F 1535539273 USHAFHHHKFOPDR-RNLVFQAGSA-N 204.216 2.231 0 30 BEAC CC(C)N1CCC(=O)N(c2ccccc2)C1=O 152888 ZPROGLFTKXNNSY-UHFFFAOYSA-N 232.283 2.254 0 30 BEAC COC(=O)c1nccc2cc(OC)ccc12 82767228 ISQRCNFIXHNOPI-UHFFFAOYSA-N 217.224 2.030 0 30 BEAC C[C@H]1Oc2cc(Br)ccc2C1=O 87015701 YQTJQLJMLPOWCW-RXMQYKEDSA-N 227.057 2.413 0 30 BEAC COC(=O)c1cccc2nc(C(F)F)[nH]c12 89195141 OSSQSNRYTWUFGF-UHFFFAOYSA-N 226.182 2.287 0 30 BEAC CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H](N)C[C@@H]2C1 263620044 SJCUUGRNKSKSMY-DTIDVZRVSA-N 240.347 2.027 0 30 BEAC CCc1ccc2nc(C(=O)O)c(C(=O)O)cc2c1 32099581 KHLDJQJQUCADRF-UHFFFAOYSA-N 245.234 2.194 0 30 BEAC COc1ccc(-c2ccncc2)cc1N 47216632 FBAWXJMSEFDNOH-UHFFFAOYSA-N 200.241 2.339 0 30 BEAC CCCC[C@H](NC)C(=O)c1ccc2c(c1)OCO2 2265384849 LNZBSVNIMBHSAG-NSHDSACASA-N 249.310 2.376 0 30 BEAC NNc1nc(-c2ccccc2F)cs1 4294054 LFYUSSJXSDXUJH-UHFFFAOYSA-N 209.249 2.235 0 30 BEAC CCCc1cccc(Cl)c1OC[C@@H](O)CO 5844787 WBEXQMNCOCWOMJ-JTQLQIEISA-N 244.718 2.025 0 30 BEAC O=c1[nH]ccc2c(OC(F)(F)F)cccc12 33358956 QOYYLBLZOGTYBQ-UHFFFAOYSA-N 229.157 2.427 0 30 BEAC Cc1cc(N)cnc1N1CCCC[C@@H]1C 52812163 VSWRTRKQBZMFDP-JTQLQIEISA-N 205.305 2.351 0 30 BEAC in-vitro O=C1OCC(O)=C1CCCc1ccccc1 101179489 CNYGDWQUBNSOAR-UHFFFAOYSA-N 218.252 2.378 0 30 BEAC CC(C)(C)OC(=O)[C@@H](N)c1ccc(F)cc1 309042512 MRFBMIHHIQLHLO-JTQLQIEISA-N 225.263 2.167 0 30 BEAC OCc1cc(F)cc(-c2cccnc2)c1 47213076 AUMPLXSUHFOICL-UHFFFAOYSA-N 203.216 2.380 0 30 BEAC C[C@H]1CN[C@@H](C)CN(Cc2ccccc2)C1 221297928 DETLUDPEYAOXOK-STQMWFEESA-N 218.344 2.116 0 30 BEAC CC1(C)CN(Cc2ccc(F)cc2)CCN1 41240765 CFXKHJHZLHEBFN-UHFFFAOYSA-N 222.307 2.010 0 30 BEAC in-vitro C/C=C(\C)C(=O)O[C@H]1C[C@@H]2CC[C@H](C1)N2C 100369612 UVHGSMZRSVGWDJ-WJKWMCMVSA-N 223.316 2.121 0 30 BEAC in-man C[C@@H]1C[C@H](O)CC[C@@H]1NC(=O)OC(C)(C)C 149753561 LSHKCRYYYZBVLM-BBBLOLIVSA-N 229.320 2.061 0 30 BEAC O=C(O)C1(c2ccncc2Cl)CCC1 259353573 PPUCDPSCLQZAHW-UHFFFAOYSA-N 211.648 2.241 0 30 BEAC Oc1ccc2c(c1)CCN[C@@H]2c1ccccn1 3703151 WHQICCPCPKXDJU-AWEZNQCLSA-N 226.279 2.022 0 30 BEAC NC1(c2cccc([C@@H]3CCCO3)c2)CC1 95938197 XCGJZCKAXPYEPJ-LBPRGKRZSA-N 203.285 2.486 0 30 BEAC O=C(CC(=O)C1CC1)c1ccc(F)cc1 104478178 KILFAEKYMMTSDU-UHFFFAOYSA-N 206.216 2.378 0 30 BEAC CC(C)(C)OC(=O)N1CC(N)(c2ccccc2)C1 143828312 ZIGCVNGIYACWBN-UHFFFAOYSA-N 248.326 2.091 0 30 BEAC FCCOc1cc(Br)ccn1 146583463 PSCIDSIBAFOIJZ-UHFFFAOYSA-N 220.041 2.192 0 30 BEAC COC(=O)c1cc2ccc(Cl)cc2c(=O)o1 642885216 YSNFRBGZOVDSOC-UHFFFAOYSA-N 238.626 2.233 0 30 BEAC CC[C@@]1(C)C[C@@H](NC(=O)OC(C)(C)C)CN1 2265383666 MNKCVIPXCLYZQU-SKDRFNHKSA-N 228.336 2.042 0 30 BEAC C[C@](O)(C(=O)O)c1ccc(Cl)c(Cl)c1 1762701 SITLKJHBGQMYGI-SECBINFHSA-N 235.066 2.286 0 30 BEAC CCOC(CCNc1ccncc1)OCC 15042284 GSCFCOHECNTJJE-UHFFFAOYSA-N 224.304 2.283 0 30 BEAC CCC[C@H]1CNCCN1Cc1ccccc1 82926847 KFDXSJIZRCQBIZ-AWEZNQCLSA-N 218.344 2.261 0 30 BEAC in-vitro C[C@H](N)[C@@H]1CCCN(Cc2ccsc2)C1 69627030 ACIPRISQWRHXBB-CMPLNLGQSA-N 224.373 2.307 0 30 BEAC N[C@]1(c2ccccc2F)CCCCC1=O 261508151 QAAHWOFISODWNS-LBPRGKRZSA-N 207.248 2.123 0 30 BEAC in-vitro COc1cc2ncc(N)c(Cl)c2cc1OC 113412859 PVNJEWZCQLRQLP-UHFFFAOYSA-N 238.674 2.488 0 30 BEAC CC(C)(C)OC(=O)NCCc1ccoc1 39093572 WCYYCMDUMYZLDU-UHFFFAOYSA-N 211.261 2.347 0 30 BEAC CC(C)[C@H](CO)N[C@@H](C)c1ccccc1F 86121515 VMSRCMNTAXOYQM-GWCFXTLKSA-N 225.307 2.493 0 30 BEAC CCCCC[C@H](O)COC(=O)C(C)C 5820875 AQENJUWUMIOQRA-JTQLQIEISA-N 202.294 2.127 0 30 BEAC CC(C)C(=O)OC[C@@H](C)[C@H](O)C(C)(C)C 32218791 WXFRFCWHHBELIH-ZJUUUORDSA-N 216.321 2.229 0 30 BEAC C[C@H]1CCCC[C@@H]1NCCN1CCCC1 20126759 WRAGCZRZLICCPC-STQMWFEESA-N 210.365 2.251 0 30 BEAC O=C(O)c1cccc2[nH]c(C(F)F)nc12 62137032 BXTKIICKSORLEJ-UHFFFAOYSA-N 212.155 2.199 0 30 BEAC O[C@@H](CF)c1cccc(Br)c1 116630663 LSBQSNZQLODXPJ-QMMMGPOBSA-N 219.053 2.452 0 30 BEAC COc1ccc2c(c1)CCN[C@H]2c1ccccn1 3703136 BBZRKCFLHGWGMU-OAHLLOKOSA-N 240.306 2.325 0 30 BEAC CC(=O)c1ccc(N2C[C@H](C)O[C@@H](C)C2)c(N)c1 150199 FMUUOIILUAMXTO-UWVGGRQHSA-N 248.326 2.085 0 30 BEAC CN(C(=O)c1ccc2c(c1)CCO2)C(C)(C)C 168955 MQPHKOJPNZZQFE-UHFFFAOYSA-N 233.311 2.492 0 30 BEAC COC(=O)c1ccc(-c2ccc(F)cc2C)nn1 21300351 XPQDTSAYPGDQCO-UHFFFAOYSA-N 246.241 2.378 0 30 BEAC COC1=CC(=O)O[C@H](c2ccccc2)C1 21999093 QJWYZCXQARCGMV-NSHDSACASA-N 204.225 2.205 0 30 BEAC O=C(O)CC(F)(F)C(F)(F)Br 34580249 ZURMDHYHHVXUPA-UHFFFAOYSA-N 238.962 2.084 0 30 BEAC C[C@@H](N)c1csc(NC(=O)C(C)(C)C)n1 70884796 KVXOYZWBUQDZAC-ZCFIWIBFSA-N 227.333 2.147 0 30 BEAC Nc1noc(Cc2ccc(C(F)(F)F)cc2)n1 104189825 YMOBTPXQBCEKOH-UHFFFAOYSA-N 243.188 2.261 0 30 BEAC Cn1nc(Br)c2cccc(F)c21 212693153 WHBBBKQNZOYTBF-UHFFFAOYSA-N 229.052 2.475 0 30 BEAC CC(F)(F)c1ncc(Br)cn1 217085423 IDNBKRRQWMDWTL-UHFFFAOYSA-N 223.020 2.351 0 30 BEAC COc1ccccc1C[C@@H](C)NNC(C)C 19167757 VUAADOXGOAKYDT-LLVKDONJSA-N 222.332 2.129 0 30 BEAC O=C(COCc1ccccc1)C(F)(F)F 21999448 DZNAGEGGLIKCAG-UHFFFAOYSA-N 218.174 2.335 0 30 BEAC in-vitro CCOC(=O)C[C@@H]1CCc2ccccc2N1 34504279 IYOKFCOGEPFIKG-NSHDSACASA-N 219.284 2.367 0 30 BEAC COC(=O)c1ccc(Cl)cc1S 34622622 HSIGYOXIBAWNGO-UHFFFAOYSA-N 202.662 2.415 0 30 BEAC Nc1cc(F)cc(NCC(F)(F)F)c1 37666726 YNSUTJWETGXLIS-UHFFFAOYSA-N 208.158 2.382 0 30 BEAC in-vitro Clc1n[nH]c2cnc(Br)cc12 76914683 DLSRNINJBNNCRD-UHFFFAOYSA-N 232.468 2.374 0 30 BEAC CC(C)(C)c1cc(N)n(Cc2ccncc2)n1 95883679 KUQQPDAUEWBKGD-UHFFFAOYSA-N 230.315 2.206 0 30 BEAC in-vitro OC[C@H]1C[C@@H](COCc2ccccc2)C1 114188890 QGHAORMEKXCCIC-JOCQHMNTSA-N 206.285 2.222 0 30 BEAC COc1ccc(-c2ccc(CO)cn2)cc1OC 35630065 DTIFFLKPELEAQR-UHFFFAOYSA-N 245.278 2.258 0 30 BEAC OC[C@@](O)(c1ccccc1)C1CCCC1 35906012 PZTPLIMWPOIMPS-CYBMUJFWSA-N 206.285 2.057 0 30 BEAC Cc1cccnc1CC(=O)C(F)(F)F 72232845 SAUHFAROYSYCAZ-UHFFFAOYSA-N 203.163 2.064 0 30 BEAC in-vitro CC(C)[C@@](N)(C(=O)O)c1ccc(Cl)cc1 75835635 QIFFAJYJSOPILE-NSHDSACASA-N 227.691 2.235 0 30 BEAC CC(C)(C)OC(=O)N1CC(=O)[C@H]2CCCC[C@@H]21 215606102 RFOYQHUATFKSIW-UWVGGRQHSA-N 239.315 2.365 0 30 BEAC CCCOC1CCC(CC(=O)O)CC1 238854713 OVQQMHDKYBSOOH-UHFFFAOYSA-N 200.278 2.447 0 30 BEAC in-vitro O=C(O)Cc1c(F)cccc1OC(F)(F)F 396125421 HXFHDVRURMWZGJ-UHFFFAOYSA-N 238.136 2.351 0 30 BEAC C[C@@H]1CN(CC(=O)c2ccccc2)C[C@@H]1C 39109876 GRSOHFFQZNBUTE-TXEJJXNPSA-N 217.312 2.457 0 30 BEAC CC(C)(C)OC(=O)[C@H]1O[C@H]1c1ccccc1 39278673 LKKOTPSFKLPCQF-QWRGUYRKSA-N 220.268 2.468 0 30 BEAC Clc1ccc(COC[C@H]2CCCNC2)cn1 40434926 MIMOJGOVRFUORH-JTQLQIEISA-N 240.734 2.251 0 30 BEAC O=C(c1c[nH]c2ccccc12)[C@@H]1CCCN1 41227605 ZGCOLLAURCTMLP-LBPRGKRZSA-N 214.268 2.103 0 30 BEAC CC1(C)CC(NC2CCC2)CC(C)(C)N1 44480384 OSGDWTONNKTQTI-UHFFFAOYSA-N 210.365 2.438 0 30 BEAC O=C1NC[C@H](c2cccc(C(F)(F)F)c2)O1 83967420 BXFZWQBMGJINIQ-MRVPVSSYSA-N 231.173 2.486 0 30 BEAC in-vitro CCO[S@](=O)c1ccc(Cl)cc1 95752059 ARAFKHFXHSVTEI-GFCCVEGCSA-N 204.678 2.399 0 30 BEAC CC(C)(O)c1nc(Br)ccc1F 143142338 MNJIWRWCZDVKRN-UHFFFAOYSA-N 234.068 2.211 0 30 BEAC CC(C)(C)OC(=O)[C@@H]1O[C@H]1c1ccccc1 33961935 LKKOTPSFKLPCQF-WDEREUQCSA-N 220.268 2.468 0 30 BEAC CC[C@H](O)c1cc(OC)c(OC)cc1OC 34444772 NHBUFOXGCPTIOH-VIFPVBQESA-N 226.272 2.156 0 30 BEAC CC(C)[C@@H](CCO)N(C(=O)O)C(C)(C)C 39094033 WBOJDHVRDKNLNX-SECBINFHSA-N 217.309 2.172 0 30 BEAC CCOc1cc(N)cc(COC)c1CC 39099682 ZUOACYCGCXXIAF-UHFFFAOYSA-N 209.289 2.376 0 30 BEAC Cc1csc(CNc2ccnc(C(=O)O)c2)n1 49534947 YNSKRDGKFODOAN-UHFFFAOYSA-N 249.295 2.157 0 30 BEAC CCC[C@@H]1CN(Cc2ccccc2)CCN1 79062042 BAMYGGQXKJSJMT-CQSZACIVSA-N 218.344 2.261 0 30 BEAC CN(C)c1cc(C(=O)O)ccc1C(F)(F)F 390288072 VIDHZSYVYWSTMK-UHFFFAOYSA-N 233.189 2.470 0 30 BEAC in-vitro CC(C)(C)OC(=O)[C@](C)(CN)c1ccccc1 390821986 WIOFDFKVQCVYNS-CQSZACIVSA-N 235.327 2.245 0 30 BEAC Brc1cn2ccsc2n1 1571473 LXCZWVCFAGYWGO-UHFFFAOYSA-N 203.064 2.158 0 30 BEAC in-vitro CCCCc1c(C)nc(SC)[nH]c1=O 8648772 GRWDINNHBZLASE-UHFFFAOYSA-N 212.318 2.143 0 30 BEAC Cc1cccnc1[C@@H]1NCCc2cc(O)ccc21 38805225 QNCOEDSGEFGFNB-OAHLLOKOSA-N 240.306 2.331 0 30 BEAC COc1ccc(-c2cnccc2N)cc1 69841174 OILNXCGFZNFZEJ-UHFFFAOYSA-N 200.241 2.339 0 30 BEAC CCc1cn(-c2ccc(C=O)cc2OC)cn1 95938052 RJWTUFXPOKOMJS-UHFFFAOYSA-N 230.267 2.256 0 30 BEAC CCOC(=O)C(=O)c1ccsc1Cl 397450342 MNAYMFGOMUYPMD-UHFFFAOYSA-N 218.661 2.147 0 30 BEAC Cc1c(N)cc(C(=O)O)cc1C(F)(F)F 575719769 JCGRDJJOYMBZFY-UHFFFAOYSA-N 219.162 2.294 0 30 BEAC CC(C)(O)C[C@](C)(O)c1ccc(F)cc1 3620663 AOLRDGPKSPZUDT-LBPRGKRZSA-N 212.264 2.194 0 30 BEAC C[C@](N)(C(=O)O)[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2 2265340007 OHCPNQDNUJAIFU-WKLONVCASA-N 223.316 2.005 0 30 BEAC Clc1ccc(Br)c2nncn12 2265351244 LCUSPASWWQTVDE-UHFFFAOYSA-N 232.468 2.145 0 30 BEAC CC(=O)Nc1nc(-c2ccccc2)co1 2008664 IHJCNWSMNSEGEK-UHFFFAOYSA-N 202.213 2.300 0 30 BEAC N=C(NO)c1c[nH]c2cccc(Cl)c12 26895386 YVNDSEVUIZWTQZ-UHFFFAOYSA-N 209.636 2.125 0 30 BEAC CC(C)(N)c1nc(C(F)(F)F)cs1 41059502 XJDKGJCEAKABFQ-UHFFFAOYSA-N 210.224 2.356 0 30 BEAC in-vitro CSc1nnc(C(F)(F)F)c(Cl)n1 95642509 HBELPKHMZBEOPP-UHFFFAOYSA-N 229.614 2.266 0 30 BEAC O=C(O)[C@H]1COc2cc(C(F)(F)F)ccc2C1 96028886 QMKNOUDMVJFHJX-SSDOTTSWSA-N 246.184 2.341 0 30 BEAC N[C@@]1(c2ccccc2F)CCCCC1=O 261508150 QAAHWOFISODWNS-GFCCVEGCSA-N 207.248 2.123 0 30 BEAC in-vitro CC(C)(C)OC(=O)NCCCC(=O)C1CC1 405660009 FGGLIDAMZZCPHH-UHFFFAOYSA-N 227.304 2.270 0 30 BEAC CC(=O)O[C@@H](C)CCc1ccc2c(c1)OCO2 1598352 WPDTWMWIRBCOSB-VIFPVBQESA-N 236.267 2.300 0 30 BEAC Cn1ccnc1-c1ccc(Br)o1 77904023 YTOYNGHIXYTABU-UHFFFAOYSA-N 227.061 2.443 0 30 BEAC Cc1nc(Cl)cc(=O)n1-c1ccccc1 146263775 JZCUVRPSUKLRHT-UHFFFAOYSA-N 220.659 2.194 0 30 BEAC C[C@H](O)C(=O)Oc1ccc2ccccc2c1 2041192 RTXHNOBSQMHTSB-VIFPVBQESA-N 216.236 2.126 0 30 BEAC Cc1ccc(Br)c2c(C=O)n[nH]c12 14985899 JUURLZOFXNRLOT-UHFFFAOYSA-N 239.072 2.446 0 30 BEAC in-vitro CC(=O)N[C@@H](C)c1nc2ccccc2s1 45238140 VWYVPJTYRVPWLY-ZETCQYMHSA-N 220.297 2.493 0 30 BEAC CN(C)Cc1c[nH]c2nccc(Cl)c12 117851472 GFOOQXSCKVFZGR-UHFFFAOYSA-N 209.680 2.278 0 30 BEAC C[C@@H](O)c1cc(Br)cc2c1OCC2 123007950 NSJZAQQYJDVUEW-ZCFIWIBFSA-N 243.100 2.437 0 30 BEAC Fc1ccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)cc1 149508350 MCULTLUFMIVMOK-PTEHBNRSSA-N 221.275 2.488 0 30 BEAC O=c1[nH]ccc2c1ccn2Cc1ccccc1 14986151 VFDCHRWQDACBOK-UHFFFAOYSA-N 224.263 2.378 0 30 BEAC in-vitro Cc1nc2ccccn2c1-c1ccnc(S)n1 15924081 JXIYNECIGZSIKR-UHFFFAOYSA-N 242.307 2.388 0 30 BEAC C=CC(=O)O[C@@H]1C=C[C@H]2[C@@H]1[C@H]1C=C[C@H]2C1 101263580 VEVJYJYFAXTUGJ-ONYIWYLUSA-N 202.253 2.092 0 30 BEAC Cc1[nH]c(=O)c(C)c(Br)c1C 238485544 MZDPSNKXXYRDQJ-UHFFFAOYSA-N 216.078 2.063 0 30 BEAC CCOC(=O)c1c(Cl)nnc(Cl)c1C 260353079 ZGUYFOUAUWDULC-UHFFFAOYSA-N 235.070 2.269 0 30 BEAC CCOC(=O)[C@@H]1CCC(=O)C[C@H]1C(F)(F)F 685945677 ASWATKRNDNOHEP-HTQZYQBOSA-N 238.205 2.097 0 30 BEAC COc1cc(N)c(C(F)(F)F)cc1OC 1873146 RVFJSOZGQWYDAF-UHFFFAOYSA-N 221.178 2.305 0 30 BEAC in-vitro COc1ccc(CC(C)(C)C(=O)O)cc1OC 39271734 SGNBSSVEANEODA-UHFFFAOYSA-N 238.283 2.357 0 30 BEAC C[C@@H](CCc1ccc([N+](=O)[O-])cc1)C(=O)O 40377505 DWOLSYAGYMVTEC-QMMMGPOBSA-N 223.228 2.248 0 30 BEAC N#Cc1ncccc1-c1cccc(C(=O)O)c1 90568402 YHUTYTGAQCKAIT-UHFFFAOYSA-N 224.219 2.318 0 30 BEAC CC(C)(C)OC(=O)N1CCC(=O)C(F)(F)CC1 950757178 DURQGKASLNPXKI-UHFFFAOYSA-N 249.257 2.222 0 30 BEAC CN1CCc2c(Br)cccc2C1 74449475 QEJKVWQQIKRFRM-UHFFFAOYSA-N 226.117 2.437 0 30 BEAC Clc1ccnc(OC2CCOCC2)c1 91366049 QOWHTYALWRPBFQ-UHFFFAOYSA-N 213.664 2.293 0 30 BEAC FC(F)(F)c1ccc(C2=NCCO2)cc1 74545 CWIAOSJDTXVSSA-UHFFFAOYSA-N 215.174 2.482 0 30 BEAC CCCC(=O)N1CC[C@H](N)c2ccccc21 70601198 RQAVLOXGTDFOML-NSHDSACASA-N 218.300 2.223 0 30 BEAC O=Cc1cc(Cl)nc(Br)c1 95761257 ITDGLHOLFMPOOK-UHFFFAOYSA-N 220.453 2.310 0 30 BEAC CC(C)(C)OC(=O)N[C@H]1CCCC[C@H](O)C1 143646928 HBWLTSDYLCAHDX-UWVGGRQHSA-N 229.320 2.205 0 30 BEAC Cc1nn(C2CC2)cc1Br 238531122 WDKFVHYJDVPMNS-UHFFFAOYSA-N 201.067 2.289 0 30 BEAC O=C1CCC[C@@H]2SCCCS[C@H]12 238790166 AHKUISCJVXNXML-DTWKUNHWSA-N 202.344 2.347 0 30 BEAC COC(=O)[C@@H]1C[C@H](C2CCCCC2)CCN1 258591697 RRGQFLGERTTWEQ-NEPJUHHUSA-N 225.332 2.108 0 30 BEAC CCOC(=O)[C@@H](F)[C@H](C)C(F)(F)F 1535541009 NAAUPNOTJFHXRA-WHFBIAKZSA-N 202.147 2.086 0 30 BEAC Cc1nc2ncc(Br)nc2s1 38540792 CYGQNATXHJNJTD-UHFFFAOYSA-N 230.090 2.157 0 30 BEAC COC(OC)(OC)c1cccc(Cl)c1 44589348 MEODDOWVHXXULG-UHFFFAOYSA-N 216.664 2.390 0 30 BEAC CCOC(=O)Cc1nc(C2CC2)cs1 68906748 IYQXYSFQURNDKN-UHFFFAOYSA-N 211.286 2.126 0 30 BEAC O=C(O)c1ccc(-c2ccc(O)cc2)o1 90713284 VBAXFEBFJQEKKY-UHFFFAOYSA-N 204.181 2.350 0 30 BEAC CC[C@H](C)OC(=O)/C=C\C(=O)O[C@H](C)CC 100061528 MWJNGKOBSUBRNM-UVDDSTKKSA-N 228.288 2.226 0 30 BEAC CC(=O)[C@H]1CCCN(c2ccccc2)C1=O 688605536 PILPATAVOYVCMA-GFCCVEGCSA-N 217.268 2.019 0 30 BEAC CNC(=O)n1cc(C)c(-c2ccccc2)n1 141227 OPWFYNSXADIMHK-UHFFFAOYSA-N 215.256 2.046 0 30 BEAC O=S(=O)(O)Cc1ccc2ccccc2c1 26981851 IHYQMTYKGRHILX-UHFFFAOYSA-N 222.265 2.228 0 30 BEAC CC(C)[C@@H]1N=C(c2ccccc2)C(=O)O1 39140055 FXMXJOUMPGXIHJ-LLVKDONJSA-N 203.241 2.015 0 30 BEAC NC[C@H](CCO)c1ccc(C(F)(F)F)cc1 84192944 PETOTKQNMZNSBN-VIFPVBQESA-N 233.233 2.130 0 30 BEAC O[C@@H](CF)c1ccccc1Br 220306392 WKJPNAHOHFDAAD-QMMMGPOBSA-N 219.053 2.452 0 30 BEAC COC1(c2ccccc2)CC(C(=O)O)C1 257849256 MEKCIAWYXUKOCR-UHFFFAOYSA-N 206.241 2.023 0 30 BEAC C[C@@H]1C[C@@H](O)CC[C@H]1NC(=O)OC(C)(C)C 2265385342 LSHKCRYYYZBVLM-KXUCPTDWSA-N 229.320 2.061 0 30 BEAC C[C@@H]1C[C@H](CCN)CCN1C(=O)OC(C)(C)C 211603346 SEDVWISXOJNMEA-GHMZBOCLSA-N 242.363 2.371 0 30 BEAC Nc1c2c(nc3sccc13)CCC[C@@H]2O 3752 UZNAAHINFAAICY-QMMMGPOBSA-N 220.297 2.248 0 30 BEAC CCOC(=O)C1=C2CCCC(=S)N2CC1 39125067 LGCQECWYUUGEHG-UHFFFAOYSA-N 225.313 2.021 0 30 BEAC C[C@@H](CO)[C@@H](N)c1ccc(Br)cc1 85527311 VZFAHARCGRLZCQ-OIBJUYFYSA-N 244.132 2.077 0 30 BEAC N=Cc1ncc(Br)c2cc[nH]c12 89212973 BZTRWGZEKVXBBI-UHFFFAOYSA-N 224.061 2.323 0 30 BEAC in-vitro CN1CC[C@H](CN)[C@H]1c1cccc(Cl)c1 101397922 ZIENPKRHFNGHTN-ZYHUDNBSSA-N 224.735 2.292 0 30 BEAC N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)OCc1ccccc1 101708068 KIDIWSPNMARBQG-DGAVXFQQSA-N 245.322 2.103 0 30 BEAC CC(F)(F)c1ccc([S@@](=O)O)cc1 205640679 FNQDCHIISGPNIF-UHFFFAOYSA-N 206.213 2.379 0 30 BEAC NC[C@H](c1c[nH]c2ccccc12)C(F)F 1536130383 OHOJVFHXUKIVJB-MRVPVSSYSA-N 210.227 2.475 0 30 BEAC O=Cc1ccccc1-c1cncc(C(=O)O)c1 16948071 GLDSEZPCRFQWSL-UHFFFAOYSA-N 227.219 2.259 0 30 BEAC O=S(=O)(O)c1cnc2ccccc2c1Cl 34543104 JFJRAQGQUQOIBQ-UHFFFAOYSA-N 243.671 2.135 0 30 BEAC CC[C@@H](CC[C@@H]1CCCO1)OC(C)=O 39366101 QIVAMLXUNDMINC-QWRGUYRKSA-N 200.278 2.287 0 30 BEAC C[C@@H](O)c1ccc(F)cc1OC(F)F 62748906 HNONPQNUQKFOEB-RXMQYKEDSA-N 206.163 2.480 0 30 BEAC in-vitro CNC(=S)Nc1ccccc1-n1cccc1 117731 NYHMHZDAGCTALH-UHFFFAOYSA-N 231.324 2.394 0 30 BEAC COC(=O)c1nc(C)c(Br)s1 71621930 FKFHGMZAWVUFAQ-UHFFFAOYSA-N 236.090 2.001 0 30 BEAC O=C(c1ccc(Cl)cn1)C(F)(F)F 85210393 CWAHIPFSELTODX-UHFFFAOYSA-N 209.554 2.480 0 30 BEAC CC(C)[C@H]1CC(=O)CN1Cc1ccccc1 685939326 WYLPOMVDDGPWIQ-CQSZACIVSA-N 217.312 2.486 0 30 BEAC NC(=O)c1cccc(CC(=O)c2ccccc2)c1 161877 DLIMHJASWFYFOX-UHFFFAOYSA-N 239.274 2.211 0 30 BEAC CCc1cc2c(=O)n(CC)cnc2s1 1945036 SHBPBTHSFRFQQG-UHFFFAOYSA-N 208.286 2.040 0 30 BEAC Fc1ccc(Cc2nnc(Cl)o2)cc1 71518574 XKZDZKVJUAGLJY-UHFFFAOYSA-N 212.611 2.453 0 30 BEAC Brc1cccc(-c2ncccn2)n1 95079049 NOPPPZDYGYILNO-UHFFFAOYSA-N 236.072 2.301 0 30 BEAC CC1(C)[C@H]2CC[C@@]1(C)[C@H](N1CCNCC1)C2 100401649 IICWXHFZZQZANF-SCRDCRAPSA-N 222.376 2.106 0 30 BEAC FC(F)(F)n1nccc1Br 575601962 SPYOJJNKXBXCET-UHFFFAOYSA-N 214.972 2.122 0 30 BEAC O=C(O)c1ccc(-c2ccc(O)cc2O)cc1 90712669 PEVQDMOVQZLJFS-UHFFFAOYSA-N 230.219 2.463 0 30 BEAC CS(=O)(=O)c1ccccc1-c1ccc(O)cc1 95616747 XFZIDQHXKUMMLC-UHFFFAOYSA-N 248.303 2.463 0 30 BEAC NCCc1cccc(OCC(F)(F)F)c1 33424907 ONOCHPDMHCAHDO-UHFFFAOYSA-N 219.206 2.129 0 30 BEAC Cn1cnc2c(Cl)cc(Cl)nc21 201484701 OHNMKUCBLXFYMW-UHFFFAOYSA-N 202.044 2.275 0 30 BEAC Nc1cc(OC2CCC2)c(Br)cn1 307596557 MGQHKVIMKJOVER-UHFFFAOYSA-N 243.104 2.358 0 30 BEAC O=C(O)[C@H]1CCC[C@@H]1C(=O)OCc1ccccc1 90615273 UGXGXOIZHUXYBO-RYUDHWBXSA-N 248.278 2.231 0 30 BEAC Cc1ccc(NC(=O)C(F)(F)F)c(C(=O)O)c1 97686 HXLQYNIKTYRABW-UHFFFAOYSA-N 247.172 2.194 0 30 BEAC Cc1nn(C)c2nc3c(cc12)C(=O)CC(C)(C)C3 3335056 ZBECKHNZOBFQFA-UHFFFAOYSA-N 243.310 2.432 0 30 BEAC c1ccc(N2CCN(c3ccncc3)CC2)cc1 3634610 HOUVRPYITOXIFB-UHFFFAOYSA-N 239.322 2.408 0 30 BEAC C[C@@H](Cc1ccc(Cl)cc1Cl)NN 33610668 QNVIZSYMNMPZAL-LURJTMIESA-N 219.115 2.388 0 30 BEAC O=S(=O)(c1ccc(S)cc1)C(F)(F)F 35355021 KPCIEOCEYIZTEF-UHFFFAOYSA-N 242.243 2.269 0 30 BEAC CN[C@@H](Cc1cccc(F)c1)c1nccn1C 69473588 LNSSMHBUKUELQS-LBPRGKRZSA-N 233.290 2.062 0 30 BEAC C[C@@H](CCO)Nc1ccc(Br)cn1 96867078 LQDUMIBCBURZOL-ZETCQYMHSA-N 245.120 2.027 0 30 BEAC O=C1CCc2cc(F)c(F)c(F)c2C1 39111280 ZEPKQIMKMVIHDQ-UHFFFAOYSA-N 200.159 2.162 0 30 BEAC COc1cccc(Cl)c1[C@H]1CNCCO1 258176906 AEMPEATUDLEJMI-SNVBAGLBSA-N 227.691 2.010 0 30 BEAC Cc1c(Br)cc(C(=O)O)c(F)c1N 2265356045 WPPQSPIJVLWYNK-UHFFFAOYSA-N 248.051 2.177 0 30 BEAC NCc1cn2cc(Cl)cc(Cl)c2n1 36243545 MHCDDZYQRPQTLW-UHFFFAOYSA-N 216.071 2.100 0 30 BEAC Oc1cncc(Cl)c1Br 95829905 NILHMPXCLHSZLI-UHFFFAOYSA-N 208.442 2.203 0 30 BEAC O=C(O)/C=C/[C@@H](O)c1ccc(Cl)cc1 4475304 FPLZDFIDWYDARU-VUHVRTRXSA-N 212.632 2.014 0 30 BEAC in-vitro CC(C)(C)OC(=O)[C@@H]1CCCC[C@H]1CN 84300799 QKPRNENUGIJRRL-VHSXEESVSA-N 213.321 2.093 0 30 BEAC CCCCN1C[C@H](C)[C@@H](OC(C)=O)C[C@H]1C 396142385 PZKYXLLMFSIYDV-LOWVWBTDSA-N 227.348 2.449 0 30 BEAC CSc1cc(-c2nccs2)nn1C(C)=O 108728 POQPVXWFJRNSAU-UHFFFAOYSA-N 239.325 2.389 0 30 BEAC O=P(O)(O)Cc1ccc(C(F)(F)F)cc1 34746102 RWGZUFYCFWXQBL-UHFFFAOYSA-N 240.117 2.383 0 30 BEAC Cn1ncc(C(=O)O)c1-c1ccc(F)cc1F 71548629 PEYDTAFZPMLFHI-UHFFFAOYSA-N 238.193 2.064 0 30 BEAC COc1nc(Cl)nc2cccc(F)c12 75926423 JTZUQEYPMUVCNW-UHFFFAOYSA-N 212.611 2.431 0 30 BEAC COC(OC)(C(F)(F)F)C(F)(F)F 4974218 VNKRZKNIOMOHAA-UHFFFAOYSA-N 212.089 2.100 0 30 BEAC CC(C)(C)OC(=O)[C@H]1CCCC[C@H]1CN 84300802 QKPRNENUGIJRRL-UWVGGRQHSA-N 213.321 2.093 0 30 BEAC Nc1ccc(C(=O)c2cccc(N)c2)cc1 5161779 YKNMIGJJXKBHJE-UHFFFAOYSA-N 212.252 2.082 0 30 BEAC CCc1cccc(NS(=O)(=O)CC)c1 5392663 LKKSUBJTWLXAMW-UHFFFAOYSA-N 213.302 2.011 0 30 BEAC COCc1cccc(Cl)c1[N+](=O)[O-] 38853558 MGLZLNQEGILVQU-UHFFFAOYSA-N 201.609 2.395 0 30 BEAC CN(C)CC1CCN(c2ccccc2N)CC1 44412398 NHGXUUONJWEXAL-UHFFFAOYSA-N 233.359 2.047 0 30 BEAC in-vitro COc1cccc2c(C(=O)O)c(C)[nH]c12 71493482 ARJNLHYCQMPIAN-UHFFFAOYSA-N 205.213 2.183 0 30 BEAC CNc1cc(Br)cc(C)c1N 98179019 MAJVZCZNMRBQNK-UHFFFAOYSA-N 215.094 2.381 0 30 BEAC C[C@@H]1C[C@@H](CCNC(=O)OC(C)(C)C)CCN1 217120779 IAIZJKYUFUMGRL-GHMZBOCLSA-N 242.363 2.289 0 30 BEAC Cn1cc(C(=O)O)c2cc(F)cc(F)c21 259041746 AQJLXVZFCHDZBT-UHFFFAOYSA-N 211.167 2.155 0 30 BEAC Oc1ccc2c(c1)CCN[C@@H]2c1ccncc1 33914241 BUDRBFIGEXCTEJ-CQSZACIVSA-N 226.279 2.022 0 30 BEAC COc1cccc([C@@H](O)c2ccncc2)c1 35956366 NQSVTSGCCQLKHQ-ZDUSSCGKSA-N 215.252 2.172 0 30 BEAC in-vitro CCOC(=O)c1cc2ccc(C)nc2[nH]1 95830279 XRFNSZNNXBDWQA-UHFFFAOYSA-N 204.229 2.048 0 30 BEAC CC1(C)C[C@@H](NCc2ccccc2)CO1 307490474 GSXDTXXZNSUHDR-GFCCVEGCSA-N 205.301 2.344 0 30 BEAC C[C@]12CNC[C@]1(C)CN(Cc1ccccc1)C2 521398865 QYDLHLFKHURUHQ-HUUCEWRRSA-N 230.355 2.118 0 30 BEAC Cc1ccc2nn[nH]c2c1Br 757119238 LZNYAFJZUBDGSM-UHFFFAOYSA-N 212.050 2.029 0 30 BEAC O=C(O)[C@]1(c2ccccc2)CCCCO1 143807585 RPDIVAZCAWHTTK-GFCCVEGCSA-N 206.241 2.167 0 30 BEAC OCc1cc(F)c(Br)c(F)c1 82100208 WPYAMPHDUWZYDH-UHFFFAOYSA-N 223.016 2.220 0 30 BEAC in-vitro N[C@H](CC[C@@H]1CCCO1)c1cccnc1 83529433 DMNRWEYCFLLCKN-NWDGAFQWSA-N 206.289 2.041 0 30 BEAC CC(C)(O)[C@H](N)c1ccc(F)c(Cl)c1 259388032 LHHGRFYQKGSMMA-SECBINFHSA-N 217.671 2.250 0 30 BEAC Cn1ncc(C(F)(F)F)c1Br 221817582 ZOCNGCZWIOOWRP-UHFFFAOYSA-N 228.999 2.201 0 30 BEAC in-vitro CC(=O)SCCN(C)C(=O)OC(C)(C)C 238319200 PSGGKPMQLXHYKM-UHFFFAOYSA-N 233.333 2.133 0 30 BEAC NCc1ncc(Br)c2ccccc12 238595548 FYQGTYFHOVYEGE-UHFFFAOYSA-N 237.100 2.456 0 30 BEAC CCCCCC[C@H](C)OC(=O)[C@@H]1CCC(=O)N1 33986530 MVSOKKKPBUGRQS-QWRGUYRKSA-N 241.331 2.167 0 30 BEAC COC(=O)c1ccc2c(c1)CC[C@@H](C)N2 238405203 IFHHLBCJXNITOB-MRVPVSSYSA-N 205.257 2.220 0 30 BEAC O=C(O)c1sc(Br)cc1F 238713682 ONHOZYXSDNJTIZ-UHFFFAOYSA-N 225.038 2.348 0 30 BEAC CC(C)(C)OC(=O)N1C[C@@H](N)CCC1(C)C 259351689 YUXKOZIBDDYZME-VIFPVBQESA-N 228.336 2.123 0 30 BEAC COC(=O)C1(c2ccc(Cl)nc2)CCC1 261275928 RLJYATGKZRXGRA-UHFFFAOYSA-N 225.675 2.330 0 30 BEAC N=c1nc(Cl)c2c([nH]1)CN(c1ccccc1)C2 536558966 NFMYSRLPVWOLEG-UHFFFAOYSA-N 246.701 2.063 0 30 BEAC CCOC(OCC)C(=O)c1nc(C)cs1 950757186 FMKYWCGAXFFEDK-UHFFFAOYSA-N 229.301 2.033 0 30 BEAC CN1CC[C@H](CN)[C@@H]1c1cccc(Cl)c1 68592615 ZIENPKRHFNGHTN-PWSUYJOCSA-N 224.735 2.292 0 30 BEAC C=C[C@@H](CC(=O)O)c1ccc(OC)cc1 35077343 UDGQZNQOSUOHQP-VIFPVBQESA-N 206.241 2.440 0 30 BEAC Clc1cccc(N2CCSCC2)n1 82460835 SHCZTHSARDHDQG-UHFFFAOYSA-N 214.721 2.288 0 30 BEAC COC(=O)c1ccc(F)c2ccncc12 82769758 VPSMVCRBABTURF-UHFFFAOYSA-N 205.188 2.161 0 30 BEAC CC(C)c1c(C(=O)O)nnn1Cc1ccccc1 50214620 YRFFWOKSADNKIJ-UHFFFAOYSA-N 245.282 2.148 0 30 BEAC NCc1cccc(O[C@@H]2CCCCO2)c1 222825253 AYJTWFSRUHUPGV-GFCCVEGCSA-N 207.273 2.051 0 30 BEAC O[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 61707567 CWWZXBDFFSHWBD-SNVBAGLBSA-N 231.217 2.276 0 30 BEAC Cc1nc(N)sc1C(=O)c1ccccc1 96300725 HIAPNRGNWJUYKT-UHFFFAOYSA-N 218.281 2.265 0 30 BEAC in-vitro Cc1[nH]nc2c1c(=O)[nH]c1ccc(Cl)cc12 28956968 AYVAHPLCRORVEN-UHFFFAOYSA-N 233.658 2.366 0 30 BEAC N[C@H](Cc1ccccc1)Cc1cscn1 54685353 GRDUHASSXSJQCK-LLVKDONJSA-N 218.325 2.256 0 30 BEAC in-vitro Cc1cc(Br)cc(CN)c1F 75844816 PEOKNHLOKQPMIA-UHFFFAOYSA-N 218.069 2.355 0 30 BEAC Cc1cc(Br)cnc1[C@H](C)N 215338982 DPNIINIKFQBHRO-LURJTMIESA-N 215.094 2.172 0 30 BEAC CC(C)(C)OC(=O)N[C@@H]1CC12CCC(N)CC2 217123484 LPXWLUDPPZPQMK-RUETXSTFSA-N 240.347 2.171 0 30 BEAC O=C(O)C[C@H]1Cc2ccc(Cl)cc2C1=O 84782920 NCVRSCHIGLBPLT-SSDOTTSWSA-N 224.643 2.170 0 30 BEAC C[C@@H]1CN(c2ncnc3ccsc23)C[C@@H](C)O1 80542 SVUFRCMCWNRJQQ-RKDXNWHRSA-N 249.339 2.305 0 30 BEAC Cc1ccc(C(=O)C(C#N)=CN(C)C)cc1 2507522 FNUVUUPRYIYVRL-UHFFFAOYSA-N 214.268 2.147 0 30 BEAC N[C@H](CN1CCCCCC1=O)c1ccccc1 19277583 URSHDPGSRGCKQO-CYBMUJFWSA-N 232.327 2.089 0 30 BEAC O=C(O)C(F)(F)c1c(F)cccc1F 69758793 YREOHYVJEZXUDY-UHFFFAOYSA-N 208.110 2.141 0 30 BEAC in-vitro CC(=O)[C@@H](CC(C)C)NC(=O)c1ccccc1 71973179 WUHSVZXHYBMMIK-CYBMUJFWSA-N 233.311 2.420 0 30 BEAC FC(F)(F)[C@@H]1CNC[C@@H](C2CCCC2)O1 74942703 PQRFYIAFENWTLV-IUCAKERBSA-N 223.238 2.096 0 30 BEAC COc1ccc([C@H]2CCN[C@@H]2C)cc1F 77303095 HQBDEDMVVPGGDX-SCZZXKLOSA-N 209.264 2.300 0 30 BEAC COc1ccc(N)c(Br)c1F 299889237 GIUANCCLMCJEGY-UHFFFAOYSA-N 220.041 2.179 0 30 BEAC COC(=O)c1ccc2ncc(OC)cc2c1 139962682 CABYDSPEGGDTAN-UHFFFAOYSA-N 217.224 2.030 0 30 BEAC COC(=O)[C@@H](C)c1ccc(C(F)(F)F)cn1 261317187 DHJJWPJNAVQFLG-LURJTMIESA-N 233.189 2.377 0 30 BEAC O[C@H]1CCNc2ccc(Br)c(F)c21 306939105 NKRHZBUTZXZKEX-ZETCQYMHSA-N 246.079 2.437 0 30 BEAC CC(C)(C)OC(=O)N1CC2(CC[C@@H]1CN)CC2 584883374 SMIFIWZXNGMPJS-SNVBAGLBSA-N 240.347 2.125 0 30 BEAC C[C@@H]1CCCCCC[C@H](O)/C=C\C(=O)O1 14638016 KANOICQRSIXTJU-XJMUJKMXSA-N 212.289 2.189 0 30 BEAC C/C=C\C[C@H]1CC(=O)C[C@@H]1CC(=O)OC 63772261 JYZHNYACTQVZBM-RWCMCFKCSA-N 210.273 2.111 0 30 BEAC CCOC(=O)[C@@]1(c2ccccc2)CCCN(C)C1 5857817 KYWYUHIJUSFICD-HNNXBMFYSA-N 247.338 2.213 0 30 BEAC CCOC(=O)c1ccccc1C(=O)N(CC)CC 22003983 HJVVPRGNRXTJLA-UHFFFAOYSA-N 249.310 2.345 0 30 BEAC CNC(=O)Oc1cccc(Br)c1 5700420 OBHYWLDQVOJAMW-UHFFFAOYSA-N 230.061 2.167 0 30 BEAC in-vitro CCC[C@@H](OC(=O)C(C)C)[C@H](CC)CO 32218653 SXNNFRPGPOKUEN-GHMZBOCLSA-N 216.321 2.373 0 30 BEAC O=C(c1ccc(Cl)cc1)c1cn[nH]c1 62775521 LXAGVSZFCMTKOX-UHFFFAOYSA-N 206.632 2.294 0 30 BEAC CO[C@@](C)(CN)c1ccc(F)c(Cl)c1 83264148 GVWVDIBMVAUKOQ-JTQLQIEISA-N 217.671 2.299 0 30 BEAC O=Cc1cncc(-c2ccc(Cl)nn2)c1 91366265 BVKDYRSWWUQQHQ-UHFFFAOYSA-N 219.631 2.005 0 30 BEAC CCOc1ccnc(-c2nccc(C)n2)c1 39100151 IGFLKBBXETTYRO-UHFFFAOYSA-N 215.256 2.246 0 30 BEAC COC(=O)Nc1nc(Cl)ccc1C 238324153 QOSFXPYTZVISPZ-UHFFFAOYSA-N 200.625 2.222 0 30 BEAC CC(C)C(=O)NCc1ccc(F)cc1F 70250837 GRNQKYIABSYVGA-UHFFFAOYSA-N 213.227 2.237 0 30 BEAC O=C(O)c1cc(Cl)c(Br)[nH]1 32628087 NMXKEDBJXDSNMD-UHFFFAOYSA-N 224.441 2.129 0 30 BEAC in-vitro Fc1ccn2c(Br)cnc2c1 89202074 JIWHAZGZFYOGCD-UHFFFAOYSA-N 215.025 2.236 0 30 BEAC Fc1cncc(Cl)c1C[C@H]1CCCN1 2265384431 BHPSCQPMBFAZFE-SSDOTTSWSA-N 214.671 2.169 0 30 BEAC CCC[C@@H]1C[C@@](C)(OC(C)=O)CCO1 39090697 GURYYNWDVKXZAT-MNOVXSKESA-N 200.278 2.287 0 30 BEAC endogenous,in-man CCNNOc1c(Cl)cccc1Cl 95496268 XBWFASFICYFFID-UHFFFAOYSA-N 221.087 2.401 0 30 BEAC Brc1cccc2c1COCCN2 144762934 RDHYOPABSDSVEL-UHFFFAOYSA-N 228.089 2.391 0 30 BEAC O=C1C[C@@H]2C[C@H](C1)N2C(=O)OCc1ccccc1 575440736 WKUWXTRDQFJJEN-TXEJJXNPSA-N 245.278 2.129 0 30 BEAC Nc1cc(F)c(Cl)c2nc(O)ccc12 1565503857 ZMTWFOFNYYHLJK-UHFFFAOYSA-N 212.611 2.315 0 30 BEAC CCN1CCC[C@H](c2[nH]nc3c2CCCCN3)C1 3698322 GGPAGYWSUHOXJM-NSHDSACASA-N 248.374 2.357 0 30 BEAC CC(C)C(=O)OC[C@H](C)[C@H](O)C(C)(C)C 32218792 WXFRFCWHHBELIH-UWVGGRQHSA-N 216.321 2.229 0 30 BEAC CC(C)(C)OC(=O)N1CC[C@@H](N)C2(CCC2)C1 82327551 KTOPNLWRUUFYQE-SNVBAGLBSA-N 240.347 2.125 0 30 BEAC COC(=O)C1(c2ccc(N)cc2)CCCC1 118494482 YRAFDBGZZIBBLS-UHFFFAOYSA-N 219.284 2.254 0 30 BEAC C[C@@H]1CC(=O)CCN(C(=O)OC(C)(C)C)C1 220129821 JMFPRWWXAUWYLJ-SECBINFHSA-N 227.304 2.223 0 30 BEAC NC1(c2ccc(C(F)(F)F)nc2)CCC1 238563861 JBWBMKXEQGNLJQ-UHFFFAOYSA-N 216.206 2.438 0 30 BEAC N=C1SCC(=O)N1c1ccc(F)c(Cl)c1 4382697 SSKVXJMVPLIGSV-UHFFFAOYSA-N 244.678 2.494 0 30 BEAC CCCCN(CCCC)CCC(=O)OC 5821184 OTMLJGIEQPAZPI-UHFFFAOYSA-N 215.337 2.452 0 30 BEAC N[C@H](CF)c1ccc(Br)cc1 71654953 LTQTVYZYSCTZLO-MRVPVSSYSA-N 218.069 2.418 0 30 BEAC OCc1cc2c(Br)coc2cn1 114696218 YMYMALDOJJGSNF-UHFFFAOYSA-N 228.045 2.083 0 30 BEAC CCSC(=S)S[C@H](C)C(=O)O 218812307 WRYYRWJWFQIMSN-SCSAIBSYSA-N 210.345 2.231 0 30 BEAC C[C@@H](N)[C@H](NC(=O)OC(C)(C)C)c1ccco1 238402688 YNIOSHIJMIWUIR-SCZZXKLOSA-N 240.303 2.193 0 30 BEAC CCC1(CC)[C@H](C(=O)O)C[C@@H]1[C@H](C)C(=O)O 396142099 OSSAYYWZEULCCG-YIZRAAEISA-N 228.288 2.234 0 30 BEAC O=C(O)[C@H]1[C@H]2C[C@@]1(c1ccc(Cl)cc1)CO2 757547648 XOCKEHIYWNTISS-FOGDFJRCSA-N 238.670 2.081 0 30 BEAC CCOC1(C(=O)O)CCC(F)(F)CC1 688273268 KILHZPPDFDVPMA-UHFFFAOYSA-N 208.204 2.056 0 30 BEAC c1ccc(N2CCN(C3CCC3)CC2)cc1 35635555 SUBIUPDHPUVLDD-UHFFFAOYSA-N 216.328 2.361 0 30 BEAC CCc1nc(Br)cn2cc(C)nc12 725326774 UMRSCAVJDOPCHC-UHFFFAOYSA-N 240.104 2.363 0 30 BEAC CCc1c(N)cnn1-c1ccc(C)cc1 85634277 WPBCCLFAKKPFHH-UHFFFAOYSA-N 201.273 2.325 0 30 BEAC in-vitro Cc1cc(C(=O)O)n(-c2c(F)cccc2F)n1 584612700 FIMKABPGGYTNJW-UHFFFAOYSA-N 238.193 2.157 0 30 BEAC OCCC[C@@H]1NCCc2c1[nH]c1ccccc21 6117793 XQJOQBSYNVJACP-ZDUSSCGKSA-N 230.311 2.127 0 30 BEAC CC(C)OC[C@H]1CCCC(=S)N1C 39124932 FGVUGGGJUUJNDI-SECBINFHSA-N 201.335 2.223 0 30 BEAC CC(C)(C)OC(=O)N1CCC[C@@H](CCO)CC1 78687054 PRBKOJFHUGVGDZ-LLVKDONJSA-N 243.347 2.406 0 30 BEAC O=C(O)[C@@H](c1ccncc1)C1CCCC1 82929763 CMKNMANWVVJYCN-LLVKDONJSA-N 205.257 2.440 0 30 BEAC CCn1nc(C)c(-c2ccccc2)c1N 85629658 NSIAJUOMPFBZLP-UHFFFAOYSA-N 201.273 2.461 0 30 BEAC Nc1ncc(-c2ccccc2)nc1Cl 95935057 ZKYQKRVASIYCFX-UHFFFAOYSA-N 205.648 2.379 0 30 BEAC CC[C@H](CC[C@@H]1CCCO1)OC(C)=O 39366102 QIVAMLXUNDMINC-MNOVXSKESA-N 200.278 2.287 0 30 BEAC c1cc(O[C@@H]2CCCNC2)ncc1C1CC1 536952434 ZKOHYZBBQSQLCY-GFCCVEGCSA-N 218.300 2.090 0 30 BEAC Nc1nc2c(C(F)(F)F)cccc2[nH]1 95831038 AQVNLAOCLFQQDY-UHFFFAOYSA-N 201.151 2.164 0 30 BEAC COC(=O)c1cc2c(O)cc(Cl)cc2[nH]1 261120219 JFSSGLFKNYYLRN-UHFFFAOYSA-N 225.631 2.314 0 30 BEAC O=C(O)c1ccccc1OC(=O)C(Cl)Cl 5846721 MQTWHLCJRJABMW-UHFFFAOYSA-N 249.049 2.094 0 30 BEAC CCCCc1c(C)nc(C2CC2)[nH]c1=O 8648080 JWELNDOGXWTMGY-UHFFFAOYSA-N 206.289 2.298 0 30 BEAC N[C@@H](CC[C@@H]1CCCO1)c1cccnc1 83529434 DMNRWEYCFLLCKN-RYUDHWBXSA-N 206.289 2.041 0 30 BEAC N[C@@H]1CCNc2c(Br)cccc21 143763264 FAJPIVIOBZXCRX-MRVPVSSYSA-N 227.105 2.265 0 30 BEAC CN[C@H]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 211288500 VXLMNYAPSXXYGZ-QWRGUYRKSA-N 242.363 2.384 0 30 BEAC O=NN1CCN(c2ccccc2Cl)CC1 2265365044 FQABCGWQIUOGCT-UHFFFAOYSA-N 225.679 2.143 0 30 BEAC O[C@H]1c2c(ccc3ccccc23)C=C[C@H]1O 902071 FOTICWSJABVKPW-TZMCWYRMSA-N 212.248 2.261 0 30 BEAC biogenic,in-vitro O=C(OCCc1ccccc1)C(F)(F)F 21989758 JQKSSRRXELCGQS-UHFFFAOYSA-N 218.174 2.335 0 30 BEAC COC(=O)c1ccc(Cl)c(Cl)c1N 37475429 JLGSSTIOFMOQNG-UHFFFAOYSA-N 220.055 2.362 0 30 BEAC CC[C@]1(c2cccc(O)c2)CNC[C@@H](C)O1 39102276 QULXWNLDZUFRSG-ZWNOBZJWSA-N 221.300 2.006 0 30 BEAC Cc1cc(Br)cc(NN)c1 147760317 KGJXWNPGSRRGRT-UHFFFAOYSA-N 201.067 2.043 0 30 BEAC CC(C)(C)OC(=O)NC1C[C@H]2CC(N)C[C@@H]2C1 259247820 SJCUUGRNKSKSMY-NKVNRFPTSA-N 240.347 2.027 0 30 BEAC O=C(O)[C@H]1CC[C@@H](c2ccc(Cl)cc2)N1 1664704 CIDBGTQSUQXHLM-VHSXEESVSA-N 225.675 2.218 0 30 BEAC Brc1cnn(CC2CCOCC2)c1 52174984 AXZFAXKHZJWQPA-UHFFFAOYSA-N 245.120 2.072 0 30 BEAC in-vitro O=C(O)COc1cccc(-c2ccns2)c1 95616716 JTMFNLAUYHMFFA-UHFFFAOYSA-N 235.264 2.274 0 30 BEAC O=C1CCCCc2cc3c(cc21)OCO3 115641754 VUVHXWUSJIUKRA-UHFFFAOYSA-N 204.225 2.324 0 30 BEAC CC[C@@H](OC(C)=O)C(=O)c1ccccc1 34108096 NFLPTNUUNCIKKF-LLVKDONJSA-N 206.241 2.211 0 30 BEAC COc1cc(O)cc(OC(F)(F)F)c1 97758356 VRUDFUJUBOSJFC-UHFFFAOYSA-N 208.135 2.299 0 30 BEAC CC1=N[C@@H](C(=O)O)[C@H](c2ccccc2)C1 39105220 PHXKWRYOGMHQPP-WDEREUQCSA-N 203.241 2.088 0 30 BEAC C[C@H](CCCO)NCc1ccccc1F 87358361 UUXHRKUNKFJYFL-SNVBAGLBSA-N 211.280 2.076 0 30 BEAC N[C@@H]1CCCc2cc(C(F)(F)F)cnc21 238603780 UZAYANMBHQDMGS-MRVPVSSYSA-N 216.206 2.437 0 30 BEAC Cc1cccc(C23CC(C(=O)O)(C2)[C@@H]3F)c1 2265384635 CJHXICDKNDMCCV-QFWMXSHPSA-N 220.243 2.449 0 30 BEAC O=C(O)c1ccc(-c2cn3cccnc3n2)cc1 1034281 JSVXKWRXNBRMCX-UHFFFAOYSA-N 239.234 2.095 0 30 BEAC CCOC(=O)CC[C@H](O)c1ccccc1 14503182 JUIBZVQXJULPCN-NSHDSACASA-N 208.257 2.063 0 30 BEAC Brc1cccc(N[C@@H]2CCNC2)c1 84193089 XIWRQCZKFYOREP-SNVBAGLBSA-N 241.132 2.223 0 30 BEAC in-vitro Cn1nc(C(F)(F)F)c2cc(O)ccc21 258464697 MLORKPSIZAHACG-UHFFFAOYSA-N 216.162 2.298 0 30 BEAC CCc1cccc(S(=O)(=O)O)c1CC 33506697 UFTUYFPADJIUDL-UHFFFAOYSA-N 214.286 2.058 0 30 BEAC CCOc1ccc([C@@H](C)c2c[nH]cn2)nc1 34050019 QEKPWAOPMKAEJC-SECBINFHSA-N 217.272 2.355 0 30 BEAC COc1cccc([C@@H](N)c2cccnc2)c1 37466380 BTPPBEUHBACCTH-CYBMUJFWSA-N 214.268 2.138 0 30 BEAC CC(C)(C)OC(=O)[C@](C)(N)c1ccccc1 52880814 SMFLSCJHGMOWSS-CYBMUJFWSA-N 221.300 2.202 0 30 BEAC COC(=O)c1ccc(C(=O)O)c(C(F)(F)F)c1 725379663 TXPFENIWMFBXIL-UHFFFAOYSA-N 248.156 2.190 0 30 BEAC CC1=N/C(=C\c2cc(F)cc(F)c2)C(=O)O1 128201 KWTSPKKTGXLFSH-WMZJFQQLSA-N 223.178 2.281 0 30 BEAC COc1ncnc2c1sc1ncccc12 171812 ZSEQQUAQCYVTCL-UHFFFAOYSA-N 217.253 2.248 0 30 BEAC NC[C@](O)(c1cccc(Cl)c1)C(F)(F)F 59829228 IERNLDRLQCGYTB-QMMMGPOBSA-N 239.624 2.049 0 30 BEAC O=c1[nH]c2cccc(N3CCCCC3)c2o1 147384003 QIRSNPMBCHAEJD-UHFFFAOYSA-N 218.256 2.111 0 30 BEAC N[C@@H]1CCOc2cc(F)c(Br)cc21 116924320 SBMBPLQOIUUGJK-MRVPVSSYSA-N 246.079 2.371 0 30 BEAC O=NN1CCC(c2nc3ccccc3[nH]2)CC1 2265384475 IHOBDEFDXZXTHP-UHFFFAOYSA-N 230.271 2.424 0 30 BEAC Cc1c(Br)n[nH]c1Br 140805045 GHSYRZLWQQWDEF-UHFFFAOYSA-N 239.898 2.243 0 30 BEAC O=C(O)Cc1nc(Cl)sc1Cl 215166858 MZKBSIOEYNFNMB-UHFFFAOYSA-N 212.057 2.077 0 30 BEAC COC(=O)C1CC(O)(c2cccc(Cl)c2)C1 216656661 YLNSILSMJPPFDY-UHFFFAOYSA-N 240.686 2.111 0 30 BEAC COC(=O)c1ccc2c(c1)CC[C@H](C)N2 238405156 IFHHLBCJXNITOB-QMMMGPOBSA-N 205.257 2.220 0 30 BEAC CCCC(=O)Nc1cccc(OC(=O)NC)c1 1756277 GHLKYRZGJLDUAG-UHFFFAOYSA-N 236.271 2.143 0 30 BEAC COC(=O)C1=C(Br)[C@H]2C=C[C@H]1C2 196476911 ILRLFVDWGLNVIH-WDSKDSINSA-N 229.073 2.014 0 30 BEAC CC(C)(C)OC(=O)N[C@H]1CCC[C@@](C)(O)C1 217776152 MMMVAIAUVIUSBN-JOYOIKCWSA-N 229.320 2.205 0 30 BEAC Cc1cccc2nc([S@](=O)O)sc12 950757199 GNAKHDUVCFLXSO-UHFFFAOYSA-N 213.283 2.185 0 30 BEAC CN(C)C(=S)NCCC1=CCCCC1 4388997 BSXYRMMHDQWNQS-UHFFFAOYSA-N 212.362 2.313 0 30 BEAC COc1cccc(OCC(C)(C)CN)c1 41218731 GWPWIVJNKAVUCR-UHFFFAOYSA-N 209.289 2.059 0 30 BEAC CC(C)(C)OC(=O)C12CCC(N)(CC1)CC2 59790998 PCFGKTJBVISTMN-UHFFFAOYSA-N 225.332 2.380 0 30 BEAC CC(C)C[C@](C)(Br)C(=O)O 78240287 DUYIJJWSBHNLSD-ZETCQYMHSA-N 209.083 2.271 0 30 BEAC Nc1nc2c(s1)C[C@H](C(F)(F)F)CC2 82862545 UJDBCDLQSHOLJD-SCSAIBSYSA-N 222.235 2.393 0 30 BEAC CC(C)(C)OC(=O)c1cc(C(F)(F)F)n[nH]1 1911936397 CVIWYSMAJDYIFH-UHFFFAOYSA-N 236.193 2.384 0 30 BEAC Cc1cnn2c3c(cnc12)C(=O)c1ccccc1-3 156260 SOSMZXSFZMVTHB-UHFFFAOYSA-N 235.246 2.249 0 30 BEAC O=C(O)[C@@H](Cc1ccccc1)C(F)(F)F 36449022 PANCHYASFLIUMK-MRVPVSSYSA-N 218.174 2.492 0 30 BEAC COc1cc2c(cc1OC)C[C@@H](C)N=C2 4262285 JPRGVFYGQHOMSM-MRVPVSSYSA-N 205.257 2.067 0 30 BEAC CCn1c(C(=O)O)cc2cc(F)ccc21 71614678 CUTGMYMVYZAKSP-UHFFFAOYSA-N 207.204 2.499 0 30 BEAC CC1(C)CN(CCCCCC(=O)O)CCS1 133371178 QLDOZSJFYDPPED-UHFFFAOYSA-N 245.388 2.459 0 30 BEAC O=C(O)c1c(Br)noc1C1CC1 215128678 KPASSSMHUJGVEF-UHFFFAOYSA-N 232.033 2.013 0 30 BEAC O=C1CCOc2nc(C(F)(F)F)ccc21 238590336 FGQQPSVKPFYNDO-UHFFFAOYSA-N 217.146 2.066 0 30 BEAC CC(C)(C)OC(=O)[C@H](N)c1ccc(F)cc1 390257634 MRFBMIHHIQLHLO-SNVBAGLBSA-N 225.263 2.167 0 30 BEAC CNc1nc2ccc3ncccc3c2n1C 13282263 HKYDQRBTHFIOJG-UHFFFAOYSA-N 212.256 2.163 0 30 BEAC in-vitro COC(=O)c1cccc2nc(Cl)[nH]c12 89195088 ILEUCNCKSCQHGO-UHFFFAOYSA-N 210.620 2.003 0 30 BEAC in-vitro CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H](O)C1 143646319 HBWLTSDYLCAHDX-NXEZZACHSA-N 229.320 2.205 0 30 BEAC COC(=O)c1cnc2cnc(Cl)cc2c1 238418110 HRQWKGJEBARRSV-UHFFFAOYSA-N 222.631 2.070 0 30 BEAC Oc1cc2c(cc1C(F)(F)F)NCC2 38526379 WPDMTKCNJNBHRW-UHFFFAOYSA-N 203.163 2.379 0 30 BEAC C[C@@H](C(=O)c1cccc(Cl)c1)N(C)C 37333555 UYZAXUWVJGHEFL-QMMMGPOBSA-N 211.692 2.473 0 30 BEAC in-vivo CCOC(=O)c1nc2nc(Cl)ccc2o1 2265383545 AQRDSGUCWWWDHC-UHFFFAOYSA-N 226.619 2.053 0 30 BEAC CC1(C)[C@@H](O)CCN1Cc1ccccc1 107242034 RTPQOQBCLWOZLU-LBPRGKRZSA-N 205.301 2.032 0 30 BEAC O=C(OCCO)c1ccc(Cc2ccccc2)o1 205057704 UOVQBJZUPJUAQT-UHFFFAOYSA-N 246.262 2.020 0 30 BEAC CC[C@H]1N=C(N)c2sccc2O[C@H]1C 39101421 ZLRUVIWRLAACGF-NKWVEPMBSA-N 210.302 2.013 0 30 BEAC Brc1cn(-c2ccccc2)nn1 40435050 IGYBJQSJWJEAFW-UHFFFAOYSA-N 224.061 2.030 0 30 BEAC Cc1ccc(Cn2cc(N)cn2)c(C)c1 71508259 LBRZMKZONLYPMK-UHFFFAOYSA-N 201.273 2.130 0 30 BEAC COc1ccc2[nH]cc(C[C@H](C)[N+](=O)[O-])c2c1 238790852 XPMDHLFCZGHQMJ-QMMMGPOBSA-N 234.255 2.384 0 30 BEAC CC(C)(C)c1cccc2c1C(=O)C(=O)N2 575436924 XGLAUYQUKQKJKE-UHFFFAOYSA-N 203.241 2.119 0 30 BEAC N#Cc1cc(Cl)c(NN)cc1Cl 6662107 YHKRQFFFHSEYLQ-UHFFFAOYSA-N 202.044 2.151 0 30 BEAC CCn1c(N)nc2cc(Br)ccc21 32500749 PKXDSPHJYREQRJ-UHFFFAOYSA-N 240.104 2.401 0 30 BEAC C[C@H](Oc1nc2ccccc2s1)C(=O)O 45236140 UWGPHSIGCZGULZ-LURJTMIESA-N 223.253 2.148 0 30 BEAC CN[C@H](Cc1ccc(F)cc1)c1ncc[nH]1 87341250 VHRJUONIMNFSSW-LLVKDONJSA-N 219.263 2.052 0 30 BEAC CC(C)(C)N=N[C@](C)(C#N)CCC(=O)O 256081403 LPIJERWHZYVVLP-JTQLQIEISA-N 211.265 2.384 0 30 BEAC O=C(O)c1csc2c(O)ccc(F)c12 306872082 ZETAMNHDTTYHGA-UHFFFAOYSA-N 212.201 2.444 0 30 BEAC O=C1[C@@H]2[C@@H](C(=O)[C@H]3[C@@H]1[C@@H]1C=C[C@H]3C1)[C@@H]1C=C[C@H]2C1 18258310 ZCJHLBHJGLCVRU-BEIYENSPSA-N 240.302 2.015 0 30 BEAC CC(=O)SCCCCC(=S)N(C)C 39124832 FQDGZWYJQDWKRX-UHFFFAOYSA-N 219.375 2.325 0 30 BEAC O=C(O)C[C@H]1C[C@@H](OCc2ccccc2)C1 307109730 HELWNIODDJWYGZ-TXEJJXNPSA-N 220.268 2.457 0 30 BEAC CCOC(=O)c1cc(O)nc2cc(F)ccc12 352916899 SEMSOZDGJPQCFU-UHFFFAOYSA-N 235.214 2.256 0 30 BEAC CCOC(=S)c1cnsc1OCC 39100313 YNKFZZALORVRFU-UHFFFAOYSA-N 217.315 2.254 0 30 BEAC CC1=N[C@H](C(=O)O)[C@H](c2ccccc2)C1 39105219 PHXKWRYOGMHQPP-QWRGUYRKSA-N 203.241 2.088 0 30 BEAC C[C@@H]1CN(Cc2ccccc2)[C@H](C)CN1C 115449829 VGXYQRIQYDOJFR-CHWSQXEVSA-N 218.344 2.211 0 30 BEAC O=C(O)[C@@H]1[C@@H]2CC[C@@]1(c1ccccc1)C2 950697796 PLAUOHACBUUPBP-CDMKHQONSA-N 202.253 2.439 0 30 BEAC CNC(=O)c1ncoc1-c1ccc(Cl)cc1 107243 QHPYTLGKEVJFDW-UHFFFAOYSA-N 236.658 2.355 0 30 BEAC CCO[C@@H]1CCN(Cc2ccccc2)O1 39099520 YRDDLFHCJMZFLD-LBPRGKRZSA-N 207.273 2.187 0 30 BEAC CCC1(CC)CN(C(=O)OC(C)(C)C)CCN1 95642299 KONYVZVKQLDQCF-UHFFFAOYSA-N 242.363 2.386 0 30 BEAC CC1(C)C[C@@]23[C@@H]4CC[C@H]1[C@H]2CC(=O)[C@H]3COC4=O 254074031 BBIDMUQZCCGABN-RJBGGMTGSA-N 248.322 2.191 0 30 BEAC biogenic O=C(O)[C@]1(C(F)(F)F)CC[C@@H](F)C1 2265384689 KKZPGHULUYHWOU-XINAWCOVSA-N 200.131 2.142 0 30 BEAC NC1(c2ccc(OC(F)F)cc2)CCOCC1 36906433 IWHCPUHFYXYAQU-UHFFFAOYSA-N 243.253 2.252 0 30 BEAC in-vitro CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1C(=O)O 84304375 QQBDACXOPPCASC-DTWKUNHWSA-N 243.303 2.012 0 30 BEAC CC(=O)C(C)(C)OC(=O)NCc1cccs1 1042566 ACCPETBMTXYDDD-UHFFFAOYSA-N 241.312 2.342 0 30 BEAC CN(N)c1ccnc2cc(Cl)ccc12 15042968 HGGBWXLTZQVJSF-UHFFFAOYSA-N 207.664 2.198 0 30 BEAC O[C@@H]1CCCCN(Cc2ccccc2)C1 148250230 KPQNKWPCOMTRHO-CYBMUJFWSA-N 205.301 2.033 0 30 BEAC Brc1cncc2ccncc12 220084609 VMGULWYDOYMXMH-UHFFFAOYSA-N 209.046 2.392 0 30 BEAC CC(C)(C)OC(=O)N1CCNc2ncccc21 299890433 ZPDFFKCVZJJBLT-UHFFFAOYSA-N 235.287 2.249 0 30 BEAC C[C@@]1(C2CC2)CNCCN1Cc1ccccc1 82934544 MSBZMLFPZSQPNX-HNNXBMFYSA-N 230.355 2.261 0 30 BEAC CC(C)(C)OC(=O)Nc1cnnc(Cl)c1 145879542 VNXKTNHBFSAPJL-UHFFFAOYSA-N 229.667 2.477 0 30 BEAC Clc1nc2nccnc2cc1Br 238567277 XRVLIAZLPDGRHR-UHFFFAOYSA-N 244.479 2.441 0 30 BEAC CC(C)(O)[C@@H](N)c1ccc(F)c(Cl)c1 259388038 LHHGRFYQKGSMMA-VIFPVBQESA-N 217.671 2.250 0 30 BEAC CCCCCCC(=O)N1CCN(CC)CC1 20356113 NCPZWVRCVFSHIL-UHFFFAOYSA-N 226.364 2.121 0 30 BEAC COc1ccc(-c2c(N)n[nH]c2C)c(C)c1 22009997 UHJQSFZJRDUCOT-UHFFFAOYSA-N 217.272 2.284 0 30 BEAC CCOC(=O)CC(F)(F)c1cccnc1 107257143 AAFBPODUGYHXIQ-UHFFFAOYSA-N 215.199 2.127 0 30 BEAC CCOC(=O)c1cc2cc[nH]c2cc1OC 147691377 LZEBSQKNTRTAIU-UHFFFAOYSA-N 219.240 2.353 0 30 BEAC COC(=O)c1c(N)sc(C(F)(F)F)c1C 2265384908 GWOIBHXSVUPTEZ-UHFFFAOYSA-N 239.218 2.444 0 30 BEAC CCCN[C@@H](C)[C@@H]1COc2ccccc2O1 5647854 RXBKKPJEJZBXOF-GWCFXTLKSA-N 221.300 2.215 0 30 BEAC CC(C)[C@H]1N=C(c2ccccc2)C(=O)O1 39140057 FXMXJOUMPGXIHJ-NSHDSACASA-N 203.241 2.015 0 30 BEAC CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 40443124 ZDIZVOYIUYVPCG-UWVGGRQHSA-N 229.320 2.014 0 30 BEAC C[C@@H]1CCC[C@H]1NCCc1ccccn1 70830018 ASOYTFCDGIFTKN-DGCLKSJQSA-N 204.317 2.402 0 30 BEAC FC(F)(F)[C@H]1CNC[C@H](C2CCCC2)O1 74942701 PQRFYIAFENWTLV-RKDXNWHRSA-N 223.238 2.096 0 30 BEAC CCCOc1ccc(C(=O)O)cc1C#N 95698629 RTCVLCCTDCZTLE-UHFFFAOYSA-N 205.213 2.045 0 30 BEAC CN[C@H]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 211288446 VXLMNYAPSXXYGZ-WDEREUQCSA-N 242.363 2.384 0 30 BEAC O[C@@H]1CCc2cc(Br)c(Cl)nc21 2265381447 CTOAEQYRAJOTFE-ZCFIWIBFSA-N 248.507 2.477 0 30 BEAC CC(C)[C@@H](C(=O)O)[C@@H](C)NC(=O)OC(C)(C)C 96170770 LZBYZAYOBAYHGM-RKDXNWHRSA-N 245.319 2.256 0 30 BEAC Cc1ccc2nc(Br)cn2c1 79047821 GRGCZHAFKPBXCG-UHFFFAOYSA-N 211.062 2.405 0 30 BEAC c1ccc(CN2CC3(CCCCN3)C2)cc1 82369521 FKUWMCZADBIPQK-UHFFFAOYSA-N 216.328 2.015 0 30 BEAC COc1cc(C)c(CC(C)=O)cc1OC 82594534 XMBXCPLCSDATAP-UHFFFAOYSA-N 208.257 2.144 0 30 BEAC in-vitro O=C(O)[C@@H](Cl)Cc1c[nH]c2ccccc12 83138985 JBQREOSOAGYMPE-VIFPVBQESA-N 223.659 2.402 0 30 BEAC O=C1O[C@H]2C[C@H]1Oc1ccc(Cl)cc12 104966054 CBOXLTPDJBPWPZ-DTWKUNHWSA-N 210.616 2.089 0 30 BEAC CC(C)(C)OC(=O)N[C@@H]1CCC[C@](C)(O)C1 217776234 MMMVAIAUVIUSBN-SKDRFNHKSA-N 229.320 2.205 0 30 BEAC Cn1c(Cl)cnc1CNC(=O)OC(C)(C)C 306617358 QISBRFNBPSYQPZ-UHFFFAOYSA-N 245.710 2.098 0 30 BEAC COc1cc(OC)cc([C@@H]2CCCN2)c1 3732236 SCIDTXFHJJWWTD-LBPRGKRZSA-N 207.273 2.128 0 30 BEAC C1CCC(c2nc3c([nH]2)CNCC3)CC1 74188316 IENHQWBUVSCHPG-UHFFFAOYSA-N 205.305 2.103 0 30 BEAC O[C@H]1CCc2sc(Br)cc21 84305667 MFDOGTVDAOMTAH-YFKPBYRVSA-N 219.103 2.490 0 30 BEAC O=C1C[C@@H](c2ccc(Cl)cc2)CCN1 199779810 IGUKDOUXOGUVSX-VIFPVBQESA-N 209.676 2.334 0 30 BEAC C[C@@H](N)CC[C@H]1CNCc2ccccc21 1535645821 NALYXDIDTXRDTE-PWSUYJOCSA-N 204.317 2.001 0 30 BEAC O[C@@H](CF)c1ccc(Br)cc1 38917588 DOCJQSDUKAOMNV-QMMMGPOBSA-N 219.053 2.452 0 30 BEAC CC(C)(O)C(C)(C)OB(O)[C@H]1C[C@H]2CC[C@H]1C2 2265362190 BKJFLKKCLAVZKY-DCAQKATOSA-N 240.152 2.223 0 30 BEAC COc1ccc(F)c2[nH]c(C(=O)O)cc12 3748684 AUIRPPJGVZXBRO-UHFFFAOYSA-N 209.176 2.014 0 30 BEAC in-vitro O=C(O)C[C@H]1CCCNc2ccccc21 82379594 USQCJHPAJSGLJV-SECBINFHSA-N 205.257 2.451 0 30 BEAC COc1cnc(Br)cc1C 96034560 RACCOVUMBSAMBB-UHFFFAOYSA-N 202.051 2.161 0 30 BEAC in-vitro CCCCOCCC(=O)N(CC)CC 116000492 WYLXGFLVKPAASV-UHFFFAOYSA-N 201.310 2.062 0 30 BEAC C[C@H]1CN(Cc2ccccc2)CC[C@@H]1CN 210460326 WMERLLDQCPOUQM-GXTWGEPZSA-N 218.344 2.103 0 30 BEAC O=C1Cc2cc(F)c(Br)c(F)c2N1 575576540 JAEULDPDKNQAAC-UHFFFAOYSA-N 248.026 2.222 0 30 BEAC Cn1cc2c(Cl)nc(Cl)cc2n1 307058496 GFBYXQRFRNIEEM-UHFFFAOYSA-N 202.044 2.275 0 30 BEAC CCCOc1ccccc1NC(N)=S 33508072 AXDYSMQZZUWBTI-UHFFFAOYSA-N 210.302 2.131 0 30 BEAC CSC1=NN[C@H](c2nn(C)cc2Cl)S1 127375 ZHZBFMOCRSCUEE-LURJTMIESA-N 248.764 2.043 0 30 BEAC CNc1ccc2ccccc2c1S(=O)(=O)O 5318876 JIACETSUYANHGJ-UHFFFAOYSA-N 237.280 2.128 0 30 BEAC CCCC[C@@H]1COC[C@H](C)[C@@H]1OC(C)=O 5821924 XWNKVSFNBVIKJB-WCQGTBRESA-N 214.305 2.391 0 30 BEAC NCC(F)(F)c1cccc2cnccc12 35570149 JNRPJAUFGFZMKF-UHFFFAOYSA-N 208.211 2.285 0 30 BEAC CC(C)(C)OC(=O)Nc1c[nH]cc1C(=O)O 45821317 OCMDXTKGLDWTFG-UHFFFAOYSA-N 226.232 2.060 0 30 BEAC Cc1[nH]c(C)c(C(=O)O)c1Br 82320242 JTKSXNVVECCXTL-UHFFFAOYSA-N 218.050 2.092 0 30 BEAC O=C(O)c1cccn1Cc1ccccc1F 259713 UDNVGFDEHXDBNX-UHFFFAOYSA-N 219.215 2.374 0 30 BEAC c1cc(NC2CCNCC2)c2cccnc2c1 38040525 IOXKHPMEVPDLGE-UHFFFAOYSA-N 227.311 2.399 0 30 BEAC CCC(CC)(C(=O)O)C(=O)OC(C)(C)C 79798249 BWQMPBFVVDCZQU-UHFFFAOYSA-N 216.277 2.219 0 30 BEAC COC(=O)C[C@H]1CCc2cc(OC)ccc21 95829877 ANKFGULNZWGLMH-SNVBAGLBSA-N 220.268 2.288 0 30 BEAC in-vitro Oc1ccc([C@H](O)c2ccccc2)c(O)c1 6116444 LVYZWDOXAIFVRX-CYBMUJFWSA-N 216.236 2.180 0 30 BEAC CC(C)(C)OC(=O)C1(N)CCCCCC1 37729930 XIECZSSEKAJTBX-UHFFFAOYSA-N 213.321 2.380 0 30 BEAC C[C@H]1Cc2c(Br)cccc2CN1 70821223 ZKJLUSRXAJZBBM-ZETCQYMHSA-N 226.117 2.483 0 30 BEAC CC(C)(CN)c1ncc(Cl)cc1F 224340162 QEEQYIAHCCIEQP-UHFFFAOYSA-N 202.660 2.110 0 30 BEAC CN1CCC(c2ccc(Cl)s2)=N1 172661 SWNOCBCLBGUHIS-UHFFFAOYSA-N 200.694 2.441 0 30 BEAC O=C(O)c1cc2cccc3c2n1CCC3 21297523 BFCHTANYIYJEKK-UHFFFAOYSA-N 201.225 2.286 0 30 BEAC CC[C@](C)(Oc1ccc(O)cc1)C(=O)OC 72232951 PYYSJAFWJCIFQU-LBPRGKRZSA-N 224.256 2.113 0 30 BEAC Oc1c2c(nn1-c1ccccc1)CCSC2 100402823 MASZAOSZWCGATM-UHFFFAOYSA-N 232.308 2.367 0 30 BEAC COC(=O)CC[C@@H]1CNc2ccc(C)cc21 238348982 JDYKAXZTNUOCHO-SNVBAGLBSA-N 219.284 2.457 0 30 BEAC Cc1ccc(OC(=O)c2ccno2)cc1 122806 KINXJCNCKOWFSU-UHFFFAOYSA-N 203.197 2.202 0 30 BEAC O=C(Nc1ccc2nonc2c1)N1CCCCC1 171109 IXXHFECICDXORT-UHFFFAOYSA-N 246.270 2.241 0 30 BEAC CCOc1oc(C)nc1Br 39099431 NPOSEMOTIOCSDS-UHFFFAOYSA-N 206.039 2.144 0 30 BEAC Cn1cc(Oc2cc(Cl)nc(Cl)n2)cn1 306808086 OCQVHUJZECFMCH-UHFFFAOYSA-N 245.069 2.309 0 30 BEAC O=C1CO[C@H](c2ccc(Br)cc2)C1 575502693 VGUQNEGRWSEQGP-JTQLQIEISA-N 241.084 2.480 0 30 BEAC Cc1cc2c(cc1C)[C@@H](C(=O)O)SCC2=O 2576285 LZXMTDHMIINMKH-NSHDSACASA-N 236.292 2.359 0 30 BEAC O=C1O[C@@H]2CCCC[C@@H]2C1(Cl)Cl 38633319 HZOSGSRPCDQQKW-NTSWFWBYSA-N 209.072 2.276 0 30 BEAC COc1ccc2c(ccn2CN(C)C)c1 39075478 JROUYZFGJCAGIS-UHFFFAOYSA-N 204.273 2.169 0 30 BEAC NCCc1cnc(-c2ccccc2)s1 44397358 MKCTZDPQTHWHAE-UHFFFAOYSA-N 204.298 2.311 0 30 BEAC in-vitro C[C@@H]1N[C@@H](CNC(=O)OC(C)(C)C)CC[C@H]1C 306273995 JRWSHTPBPKDBAQ-OUAUKWLOSA-N 242.363 2.288 0 30 BEAC CCOc1cccc2c1CN(CC)CC2 39099326 ILRHKOFQQFIGBK-UHFFFAOYSA-N 205.301 2.463 0 30 BEAC CC[C@@]1(C)C(=O)CCN1C(=O)OC(C)(C)C 258160432 HRLHBZFWVSLAMB-LBPRGKRZSA-N 227.304 2.365 0 30 BEAC Nc1cccc([C@@H](O)CC(F)(F)F)c1 725343643 ITKRELAXDHPLPJ-QMMMGPOBSA-N 205.179 2.255 0 30 BEAC Clc1nc(Cl)c2c(n1)OCCC2 141917200 BJAIZZLNCFQTSX-UHFFFAOYSA-N 205.044 2.108 0 30 BEAC O=C(O)C1CC(F)(c2cccc(F)c2)C1 88611620 MEFWWHBANNSXPS-UHFFFAOYSA-N 212.195 2.485 0 30 BEAC COC(=O)[C@H](C(=O)c1ccccc1)C(C)C 43502446 OFSPVPOCRMGQFE-NSHDSACASA-N 220.268 2.315 0 30 BEAC in-vitro CN[C@H](Cc1ccc(F)cc1)c1ccn(C)n1 87424208 CXGLVWLMHBDZOX-CYBMUJFWSA-N 233.290 2.062 0 30 BEAC CCO[C@H]1C[C@@H](c2ccccc2)C(=O)O1 143254253 UWNOCPOSLHHZDE-WDEREUQCSA-N 206.241 2.080 0 30 BEAC in-vitro CC[C@@H](CC[C@H](CC)C(=O)OC)C(=O)OC 32154305 MHQZDNUNANBSDM-UWVGGRQHSA-N 230.304 2.165 0 30 BEAC Cc1cc(I)cnc1C 114760896 CTXZQFARZRIHPI-UHFFFAOYSA-N 233.052 2.303 0 30 BEAC CC(C)CCSc1nnc(N)s1 99901 PKKXXLOWFNHQAO-UHFFFAOYSA-N 203.336 2.259 0 30 BEAC CCCCn1c(S)nnc1-c1ccncc1 2485046 MYLSYJGFLVMXDW-UHFFFAOYSA-N 234.328 2.429 0 30 BEAC CCc1ccc(NN)c(Br)c1 3676555 DXIWMLSTDDAQHD-UHFFFAOYSA-N 215.094 2.297 0 30 BEAC CN[C@H](CSC)Cc1ccc(F)cc1F 54495596 INDWNERZUJOKNZ-JTQLQIEISA-N 231.311 2.458 0 30 BEAC Cc1ccc(NC2CCN(C)CC2)cc1N 61701180 DEWOODISYGYZHA-UHFFFAOYSA-N 219.332 2.083 0 30 BEAC in-vitro Brc1nnc(Cc2ccccc2)o1 71549235 MSNCWUCCJOJOGX-UHFFFAOYSA-N 239.072 2.423 0 30 BEAC Fc1ccc(-c2nc3c(o2)CCNC3)cc1 95642240 JYAVVDPUFHHTAM-UHFFFAOYSA-N 218.231 2.126 0 30 BEAC N[C@H]1CCCc2cn(C3CCCC3)nc21 95829030 BCHBZNOWZZEHFX-NSHDSACASA-N 205.305 2.334 0 30 BEAC in-vitro CC(C)(C)OC(=O)N1CC[C@@](CO)(C2CC2)C1 307689785 NQRFGMAVEFIJMN-CYBMUJFWSA-N 241.331 2.016 0 30 BEAC N[C@H]1COc2cc(C(F)(F)F)c(F)cc2C1 521399753 BVAVRLXIKIFQOO-ZCFIWIBFSA-N 235.180 2.107 0 30 BEAC Cc1ccccc1[C@@H]1CC(=O)C[C@H]1C(=O)O 72232971 FBTWLKCCKCAEQJ-NWDGAFQWSA-N 218.252 2.142 0 30 BEAC COC(=O)[C@@H](C)Nc1ccc(Cl)cc1 33947231 MMCACXQOJXOMAB-SSDOTTSWSA-N 213.664 2.313 0 30 BEAC CC(C)(C)OC(=O)N1CC[C@@H](N)C[C@@H]1C1CC1 217075095 DZFMDUYIUJQKRM-GHMZBOCLSA-N 240.347 2.123 0 30 BEAC COc1ccc(CC[C@@H](C)C(=O)O)cc1 40740203 VRMQIYPJRVVRDU-SECBINFHSA-N 208.257 2.349 0 30 BEAC CN(C)C[C@H]1CCCC[C@@]1(O)c1cccc(O)c1 5958052 UWJUQVWARXYRCG-UKRRQHHQSA-N 249.354 2.332 0 30 BEAC biogenic,world CNC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 54627697 HLTSXIQQDWKWBM-GOOCMWNKSA-N 230.355 2.401 0 30 BEAC FC(F)(F)[C@@]1(NCc2ccccc2)CCOC1 95882050 GOWNSQPPHVFBFE-LLVKDONJSA-N 245.244 2.498 0 30 BEAC COc1cc2c(cc1OC)C(=O)C[C@@H](C)C2 80184553 BBRBRTKBBDVNOL-QMMMGPOBSA-N 220.268 2.469 0 30 BEAC CCn1nc(C)c2cc(C(=O)O)sc21 41043605 YPCBBVVAJWMHEM-UHFFFAOYSA-N 210.258 2.124 0 30 BEAC c1ccc(C[C@@H]2OC[C@@H]([C@H]3CCCCN3)O2)cc1 31703257 BFIHVAAIQMHVLM-QLFBSQMISA-N 247.338 2.113 0 30 BEAC O=C(O)C1CCC(OCC2CCC2)CC1 98210166 PGWLCFZUEVFJMX-UHFFFAOYSA-N 212.289 2.447 0 30 BEAC in-vitro CC(C)(C)OC(=O)C(F)(F)Br 114061850 LIUMYBWTRZTNMS-UHFFFAOYSA-N 231.036 2.316 0 30 BEAC Nc1ccc2nc(C(F)(F)F)oc2c1 20423940 DVJYDMBFNPMEFB-UHFFFAOYSA-N 202.135 2.429 0 30 BEAC in-vitro Cc1ccccc1NC(=O)[C@@H](C)N1CCCC1 1999274 WJOQWLQQCYYQBE-GFCCVEGCSA-N 232.327 2.418 0 30 BEAC in-man OC[C@@H]1CSC(c2ccc(Cl)cc2)=N1 32233512 YWNTWNKTJCCPLJ-SECBINFHSA-N 227.716 2.194 0 30 BEAC C=CC(=O)Nc1ncc(Br)s1 36334951 RNPLTGXROKFXMQ-UHFFFAOYSA-N 233.090 2.030 0 30 BEAC Brc1cccc2snnc12 39434676 JOTJVGRMHKCMFF-UHFFFAOYSA-N 215.075 2.454 0 30 BEAC Cc1ccc(CNC(=O)OC(C)(C)C)nc1 44185547 FNAUHZOVWXLZJO-UHFFFAOYSA-N 222.288 2.415 0 30 BEAC COc1cc([C@@H]2CCCN2)cc(F)c1F 72202039 FYBGFOAHUSCCLN-VIFPVBQESA-N 213.227 2.398 0 30 BEAC COc1ccc(Br)c2nccn12 211655078 QKYYAEGMLFWKGN-UHFFFAOYSA-N 227.061 2.105 0 30 BEAC NCc1ncc(-c2ccccc2Cl)[nH]1 36870950 DHJJMZVCJYEDIW-UHFFFAOYSA-N 207.664 2.189 0 30 BEAC C[C@@H]1CCC[C@H](CNC(=O)OC(C)(C)C)N1 51573370 XRNMGCXGUDXCSG-NXEZZACHSA-N 228.336 2.042 0 30 BEAC C[C@@H](CN)C1CCN(C(=O)OC(C)(C)C)CC1 96987050 PTEZZJBZOYXSCW-JTQLQIEISA-N 242.363 2.228 0 30 BEAC Cc1cc(NC(=O)c2cc(C)oc2C)n(C)n1 148104 QFMJZFZCSVSVOL-UHFFFAOYSA-N 233.271 2.191 0 30 BEAC C[C@H]1CCCC[C@H]1NCCN1CCCC1 20126761 WRAGCZRZLICCPC-QWHCGFSZSA-N 210.365 2.251 0 30 BEAC Oc1ccc2c(c1)CCN[C@H]2c1cccnc1 35086932 ZOFDCRNANURLMT-AWEZNQCLSA-N 226.279 2.022 0 30 BEAC CCOC(=O)n1ccc2cc(N)ccc21 39085355 HCERNUVVUIVQOR-UHFFFAOYSA-N 204.229 2.228 0 30 BEAC CCO[P@]1(=O)O[C@@H](C)C=C1C(C)(C)O 39098842 BQOCJOCEXADCNG-WJWGPLDTSA-N 220.205 2.290 0 30 BEAC FC(F)(F)COC(=S)OCC(F)(F)F 39309985 KLHBTFFZKRVEHH-UHFFFAOYSA-N 242.140 2.429 0 30 BEAC COc1ccccc1C[C@H]1CCC[C@H]1O 43656336 BEZPHADQLNSEQG-ZYHUDNBSSA-N 206.285 2.399 0 30 BEAC in-vitro O=C1CCC2(CC1)OCCCCS2 39325885 KOOMDFWUUCHMHH-UHFFFAOYSA-N 200.303 2.369 0 30 BEAC CC(C)(C)OC(=O)N[C@]1(C)CCC[C@H]1C(=O)O 41701792 GKDUYHIMOWUHAF-QPUJVOFHSA-N 243.303 2.155 0 30 BEAC Cc1nc2cc([S@@](C)=O)ccc2s1 45236247 HSITZLZYYCYZDX-ZDUSSCGKSA-N 211.311 2.342 0 30 BEAC COc1ccc([C@H]2CCN[C@H]2C)cc1F 77303098 HQBDEDMVVPGGDX-WPRPVWTQSA-N 209.264 2.300 0 30 BEAC O=C(NC(=O)C1CCCCC1)c1ccccc1O 157003 UKLZHMGBGBIUNC-UHFFFAOYSA-N 247.294 2.229 0 30 BEAC CC(C)C(=O)OCC(C)(C)COC(=O)C(C)C 1759926 HACYJIJMLQDPDS-UHFFFAOYSA-N 244.331 2.411 0 30 BEAC CC(C)C(=O)O[C@H]([C@H](C)CO)C(C)(C)C 5359098 YXISVHDWGVMPGJ-NXEZZACHSA-N 216.321 2.229 0 30 BEAC C[C@H]1C[C@@H](CC(=O)O)CN1C(=O)OC(C)(C)C 211606343 XKBYUNHRBFIONS-IUCAKERBSA-N 243.303 2.107 0 30 BEAC CC(C)(C)OC(=O)N1CC[C@]2(N)CCCC[C@H]12 307107443 ZIRHPMBSDWIIGA-GXFFZTMASA-N 240.347 2.267 0 30 BEAC O=C(O)C[C@H]1CCC(=O)c2ccccc21 238646873 RROPQJGXOBXBTR-MRVPVSSYSA-N 204.225 2.221 0 30 BEAC O=Cc1ccc(-c2ccc([N+](=O)[O-])cn2)o1 196163100 QXNFLZLAZSQARS-UHFFFAOYSA-N 218.168 2.062 0 30 BEAC O=C(O)[C@@H]1CCC[C@@H](c2ccccc2)O1 306407178 JJGNIXHMFWWAKF-QWRGUYRKSA-N 206.241 2.381 0 30 BEAC Cc1ccnc2c1CCC[C@H]2C(N)=S 4213613 PWPWEYFVLITGNU-SECBINFHSA-N 206.314 2.096 0 30 BEAC in-man CCO[C@@H]1CC(=O)N1[C@@H](C)c1ccccc1 39100552 DSQIXBZGTXMLBO-GXFFZTMASA-N 219.284 2.343 0 30 BEAC CC(C)CCNC[C@H]1COc2ccccc2O1 20137760 DBXSOFDAWXSIJV-LBPRGKRZSA-N 235.327 2.462 0 30 BEAC in-man CC[C@@H](CC[C@@H](CC)C(=O)OC)C(=O)OC 32154295 MHQZDNUNANBSDM-AOOOYVTPSA-N 230.304 2.165 0 30 BEAC CC(C)[C@H]1CC[C@@H](C)C[C@@H]1C(=O)NCCCO 33506482 VBXWUOYNNYFRAX-UPJWGTAASA-N 241.375 2.193 0 30 BEAC O=C(O)c1cc(Cl)nc(OC(F)F)c1 47203174 SPLZJTAUBSIWEH-UHFFFAOYSA-N 223.562 2.035 0 30 BEAC O=C(O)COc1ccc(Br)c(F)c1 75880731 YVTITZLOIKMYGD-UHFFFAOYSA-N 249.035 2.052 0 30 BEAC O=C(O)CCCc1ccc(Br)cn1 147152857 SXJDAHCGZHDVBA-UHFFFAOYSA-N 244.088 2.251 0 30 BEAC N[C@H](c1ccccc1)c1ccc(C(=O)O)cc1 258265509 OWEYAOJOBHOEEQ-CYBMUJFWSA-N 227.263 2.433 0 30 BEAC Nc1c(Br)cnc(Cl)c1F 687828038 PJYXQFXKMYJPFD-UHFFFAOYSA-N 225.448 2.219 0 30 BEAC CC(C)CCCCCOC(=O)/C=C/C(=O)O 5758416 FDNBQVCBHKEDOJ-BQYQJAHWSA-N 228.288 2.387 0 30 BEAC CC(C)(C)OC(=O)NCC1CCC(CO)CC1 35287609 KSXPGASLEFGROT-UHFFFAOYSA-N 243.347 2.310 0 30 BEAC O=C1Sc2ccc(Br)cc2C1=O 40434551 AYGLGOXWJMYWLV-UHFFFAOYSA-N 243.081 2.264 0 30 BEAC NC1(Cc2ccc(F)cc2F)CCOCC1 63077171 FNNRMGTUVMEUHO-UHFFFAOYSA-N 227.254 2.015 0 30 BEAC O=C(O)C[C@H]1Cc2cccc(Cl)c2O1 108382386 ICQKKRINRIWTLJ-SSDOTTSWSA-N 212.632 2.118 0 30 BEAC O=[N+]([O-])/C=C/c1ccc(C(F)(F)F)nc1 118626473 UBBCPEHVWKFVGC-ONEGZZNKSA-N 218.134 2.348 0 30 BEAC CO[C@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 215537488 UGISCWMXDGYVKU-BDAKNGLRSA-N 215.293 2.031 0 30 BEAC CC[C@@H](C)OC(=O)CC(=O)O[C@H](C)CC 5922347 QQXQNPKZBSJJTA-RKDXNWHRSA-N 216.277 2.060 0 30 BEAC O=C(O)c1cnc(SCc2ccccc2)nc1 14608610 BPAJSCJBMTYLTO-UHFFFAOYSA-N 246.291 2.467 0 30 BEAC CC(=O)CC(=O)CCc1ccc([N+](=O)[O-])cc1 60282354 NWZJKEYRGINDBY-UHFFFAOYSA-N 235.239 2.076 0 30 BEAC COC(=O)Cc1ccc2ccccc2c1N 209811051 JQQRCFCHZMSIIM-UHFFFAOYSA-N 215.252 2.138 0 30 BEAC CCOC(=O)[C@@H](F)[C@@H](C)C(F)(F)F 1535541008 NAAUPNOTJFHXRA-UHNVWZDZSA-N 202.147 2.086 0 30 BEAC CCOC(=O)C[C@H]1CCc2ccccc2N1 34504282 IYOKFCOGEPFIKG-LLVKDONJSA-N 219.284 2.367 0 30 BEAC CN(C)C[C@H](N)Cc1ccc(Cl)c(Cl)c1 71561442 SYTMFKSPUVMFJZ-SECBINFHSA-N 247.169 2.425 0 30 BEAC CN(C[C@@H]1CCC[C@H](N)C1)C(=O)OC(C)(C)C 211288905 AJLFJNFEZGEOCQ-MNOVXSKESA-N 242.363 2.371 0 30 BEAC CC(C)(O)C(C)(C)OB(O)C1=CCCCCC1 200335322 FTOHJKDWJHQXBO-UHFFFAOYSA-N 240.152 2.463 0 30 BEAC COc1cccc([C@H](C)[C@@H]2CCNC2)c1 70627882 FEWXZMIVEAKPBV-CMPLNLGQSA-N 205.301 2.408 0 30 BEAC COc1cc(OC)c2c(c1)O[C@@H]1OC=C[C@H]21 6017668 KEFXQTPQVMBKRL-PELKAZGASA-N 220.224 2.050 0 30 BEAC CC[C@H](CC[C@@H](CC)C(=O)OC)C(=O)OC 32154300 MHQZDNUNANBSDM-NXEZZACHSA-N 230.304 2.165 0 30 BEAC COC(OC)c1ccc(C(OC)OC)cc1 33506372 BICKDMSEOVJSQC-UHFFFAOYSA-N 226.272 2.269 0 30 BEAC S=c1[nH]nnn1[C@@H]1C[C@H]2C[C@H]1[C@H]1C=CC[C@H]21 100299048 APQPRBZCCNHYTF-FHNUBNKASA-N 234.328 2.109 0 30 BEAC CCOC(=O)c1ccc2[nH]c(=S)[nH]c2c1 10157925 BIIIXELDRBGRHL-UHFFFAOYSA-N 222.269 2.402 0 30 BEAC C[C@H](N)c1cn2cc(Br)ccc2n1 76790299 XIZOIMRPNXZUPS-LURJTMIESA-N 240.104 2.117 0 30 BEAC COC(=O)[C@@H]1CC[C@@H](c2ccc(N)cc2)C1 141778070 RTBKBYVEMLAADA-GHMZBOCLSA-N 219.284 2.326 0 30 BEAC CC(=O)c1ccc(C(C)=O)c(C(C)=O)c1 33369665 DHCIAVVQOMVUPC-UHFFFAOYSA-N 204.225 2.294 0 30 BEAC C[C@@H](Sc1nncn1C)c1cccc(N)c1 40908623 KUFWECHDRUAAKK-MRVPVSSYSA-N 234.328 2.251 0 30 BEAC O=C(O)c1cnc(OCC(F)F)c(Cl)c1 95644795 WLNVGQDPQPPZNY-UHFFFAOYSA-N 237.589 2.077 0 30 BEAC O=C(O)c1cccc(C2=CCOCC2)c1 204191638 ZYHXFROVJMFLBV-UHFFFAOYSA-N 204.225 2.189 0 30 BEAC N[C@H]1CC[C@H](Oc2ncccc2Cl)CC1 299891885 GYRGDRHNKMMIEJ-KYZUINATSA-N 226.707 2.384 0 30 BEAC Cc1ccc(OC(F)(F)C(=O)O)cc1 36878341 BLLJAXSTAOBXNP-UHFFFAOYSA-N 202.156 2.051 0 30 BEAC C[C@@H]1C[C@@H](Cc2ccccc2)CNC1=O 207344491 VJGFPCSAWUVUSX-PWSUYJOCSA-N 203.285 2.001 0 30 BEAC COc1ccc2occ(CCNC(C)=O)c2c1 13474338 BTVRPXLAXZPZPV-UHFFFAOYSA-N 233.267 2.120 0 30 BEAC in-vivo Cc1ccc(C(=O)Nc2ccncc2)c(O)c1 19837704 TZLZBWJIZGLFTL-UHFFFAOYSA-N 228.251 2.348 0 30 BEAC O=C(NCCSCc1ccco1)C1CCC1 4364747 IOIDSZXAMCZODM-UHFFFAOYSA-N 239.340 2.429 0 30 BEAC COc1ccc(CN2CCCCC2=O)cc1 21994384 QZXXQWFWZJWRSS-UHFFFAOYSA-N 219.284 2.208 0 30 BEAC COC(=O)c1cccc2c(C(=O)O)cccc12 141610950 OHKZRWRHYUYHTA-UHFFFAOYSA-N 230.219 2.325 0 30 BEAC O=C1CC[C@H](c2cccc(Br)c2)N1 218436125 RJOAFGQNRQKQSX-SECBINFHSA-N 240.100 2.400 0 30 BEAC Cc1cc(N)cnc1N1CCCC[C@H]1C 52812164 VSWRTRKQBZMFDP-SNVBAGLBSA-N 205.305 2.351 0 30 BEAC in-vitro FC(F)(F)c1cc(Cl)n2ncnc2c1 725243019 FYSYTSWOFJBACS-UHFFFAOYSA-N 221.569 2.402 0 30 BEAC CC(C)(C)OC(=O)N1CCC[C@]2(N)CCC[C@H]12 1554770628 AXIXCCDRBVNDAS-GXFFZTMASA-N 240.347 2.267 0 30 BEAC CCCCC[C@@H](COC(C)=O)OC(C)=O 34109846 PRVSFXXXZBBTJY-NSHDSACASA-N 216.277 2.062 0 30 BEAC O=C1CCC(=O)c2ccc(Cl)cc2N1 114560467 BUYMLVMIVKWJSQ-UHFFFAOYSA-N 209.632 2.255 0 30 BEAC NC[C@H](CC(=O)O)c1ccc(C(F)F)cc1 124706442 DDHADMKMBIDYEF-VIFPVBQESA-N 229.226 2.141 0 30 BEAC CC(C)(C)OC(=O)N1C[C@H]2CC[C@@](CO)(C2)C1 258246682 MGIGNWRGVPUFAS-GXFFZTMASA-N 241.331 2.016 0 30 BEAC O=C(O)c1cncn1-c1ccc(Cl)cc1F 498050476 CHUNAWRHSSWQFF-UHFFFAOYSA-N 240.621 2.363 0 30 BEAC C[C@@H]1C[C@H](O)CC[C@H]1NC(=O)OC(C)(C)C 2265385343 LSHKCRYYYZBVLM-OPRDCNLKSA-N 229.320 2.061 0 30 BEAC Cc1ccc(CNC2=NCCS2)cc1 104585 SENJFYMMZYUKHS-UHFFFAOYSA-N 206.314 2.187 0 30 BEAC CCc1oc2ccccc2c1C(=N)NO 22145683 ANLQQUZJPSPFMR-UHFFFAOYSA-N 204.229 2.299 0 30 BEAC COc1cccc(C2(F)CCNCC2)c1 107150457 NSIKPWJVHSMZFL-UHFFFAOYSA-N 209.264 2.243 0 30 BEAC in-vitro CC1(C)CC(=O)N(Cc2ccccc2)[C@H](O)C1 200978595 CBUCOELMPGQVKW-GFCCVEGCSA-N 233.311 2.154 0 30 BEAC CCN1CCc2nc(SC)sc2C1 223719954 CZGHFAZQKGFFGY-UHFFFAOYSA-N 214.359 2.243 0 30 BEAC CC(=O)O[C@H]1CO[C@H](c2ccccc2)C1 223760714 WVLNGJLSAOPEFZ-NEPJUHHUSA-N 206.241 2.080 0 30 BEAC COC(=O)C[C@@H](c1ccccc1)N1CCCC1 6482279 OSVHNYZORQSSKG-ZDUSSCGKSA-N 233.311 2.387 0 30 BEAC COc1ccc2oc(C(=O)N(C)C)c(C)c2c1 33884790 GYZLHRMOLXESCF-UHFFFAOYSA-N 233.267 2.452 0 30 BEAC CCOC(=O)C(Cl)=NNc1ccc(F)cc1 256091352 VVERUMZUZIFIQN-UHFFFAOYSA-N 244.653 2.353 0 30 BEAC COc1ccc(COc2cc(CN)ccn2)cc1 19965609 LFYPKNJVQRQALI-UHFFFAOYSA-N 244.294 2.128 0 30 BEAC CNC[C@@H]1CCCO[C@H]1c1ccccc1 47843815 ZXKAIBMKDZEEGN-STQMWFEESA-N 205.301 2.374 0 30 BEAC in-vitro FC(F)COc1ccc(Br)cn1 116933936 XSHZGHVZPLZCIL-UHFFFAOYSA-N 238.031 2.488 0 30 BEAC COc1cc(SC)cc(O)c1C(C)=O 145125505 JJAKEMCFFULPEZ-UHFFFAOYSA-N 212.270 2.325 0 30 BEAC CNC(=O)Nc1ccc(OC)c(Cl)c1 2035302 YWHRNWZTCCNWSH-UHFFFAOYSA-N 214.652 2.100 0 30 BEAC CC(C)C(=O)O[C@@H]([C@H](C)CO)C(C)(C)C 5359006 YXISVHDWGVMPGJ-ZJUUUORDSA-N 216.321 2.229 0 30 BEAC CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC[C@](C)(O)CO 33975938 XCNCWOPROFTLGU-XJFOESAGSA-N 244.375 2.207 0 30 BEAC in-man Cc1nn(-c2ccc(F)cc2F)c(C)c1N 35728306 RIWMYQYFCDYJEP-UHFFFAOYSA-N 223.226 2.350 0 30 BEAC in-vitro CC[C@H](C)N(CC(=O)O)C(=O)OC(C)(C)C 37473813 BJPBTTIEKVITNS-QMMMGPOBSA-N 231.292 2.107 0 30 BEAC Nc1nc([C@@H]2CCCc3ccccc32)no1 63158540 VKXFWABQILNVKP-SNVBAGLBSA-N 215.256 2.120 0 30 BEAC in-vitro Cc1cc(Br)c(CC(=O)O)s1 83679995 VWMYXKBJBYBCOA-UHFFFAOYSA-N 235.102 2.446 0 30 BEAC Oc1c(S)cccc1Br 149461027 ARZJVZRCZWTNFB-UHFFFAOYSA-N 205.076 2.443 0 30 BEAC Nc1nn(Cc2ccccc2)c2ncccc12 197798591 UZTATAVQJLHOKI-UHFFFAOYSA-N 224.267 2.062 0 30 BEAC CC(C)(C)[C@@](C)(NC(=O)c1ccccc1)C(=O)O 39135857 XEZRIWIRGCAQIH-AWEZNQCLSA-N 249.310 2.306 0 30 BEAC N[C@H](C(=O)OC1CCCC1)C1CCCCC1 48632317 YBKIMYUFPVLCQN-LBPRGKRZSA-N 225.332 2.380 0 30 BEAC C[C@H]1C[C@@H](CCN)CCN1C(=O)OC(C)(C)C 211603581 SEDVWISXOJNMEA-QWRGUYRKSA-N 242.363 2.371 0 30 BEAC O=c1[nH]c2c(N3CCCCC3)cccc2o1 150033064 JYDBGJMFRHXSCT-UHFFFAOYSA-N 218.256 2.111 0 30 BEAC CCOC(=O)[C@@]1(C)CCc2ccc(O)cc2O1 38351424 ZQUVGOXTQFGONJ-CYBMUJFWSA-N 236.267 2.039 0 30 BEAC OCCc1ccccc1OC(F)(F)F 39118217 FUPOSQQIULEEBH-UHFFFAOYSA-N 206.163 2.120 0 30 BEAC in-vitro Cc1nc2[nH]cc(C(=O)O)c2cc1Cl 42689440 ZDYGNJMDCHFPMB-UHFFFAOYSA-N 210.620 2.223 0 30 BEAC O=C(O)c1cncc2[nH]cc(Br)c12 44713260 BHEIMKFVQZKEIV-UHFFFAOYSA-N 241.044 2.024 0 30 BEAC CC[C@H]1CN(Cc2cnc(C)s2)CC[C@@H]1N 122353044 UJWYXJUBMIMGBY-JQWIXIFHSA-N 239.388 2.011 0 30 BEAC Brc1cnc(-c2ccccn2)[nH]1 206376838 QHFPGXJCATVKLS-UHFFFAOYSA-N 224.061 2.234 0 30 BEAC O=Cc1c(F)cc(O)cc1Br 222306817 OHNADCAMSNTRIP-UHFFFAOYSA-N 219.009 2.106 0 30 BEAC CCc1c(C(=O)OC)sc2cccn12 39101350 BTVDHBWFTRMFHX-UHFFFAOYSA-N 209.270 2.350 0 30 BEAC O=C(O)/C=C/c1ccc(C(F)(F)F)cn1 115289659 LFJLFJPHKBRPRQ-ONEGZZNKSA-N 217.146 2.198 0 30 BEAC C[C@H]([C@H]1COc2ccccc2O1)N1CCCC1 1843854 KAXULGXUSBBIMN-BXUZGUMPSA-N 233.311 2.311 0 30 BEAC C[C@H]1CN(c2cc(N)cc(F)c2)C[C@@H](C)O1 37666510 YCTPWEHIPGJMBJ-DTORHVGOSA-N 224.279 2.022 0 30 BEAC in-vitro Cc1nccn1-c1cncc(Br)c1 72192798 VUSVTYPUVIGYNQ-UHFFFAOYSA-N 238.088 2.338 0 30 BEAC in-vitro O=C(O)[C@@H](O)C(c1ccccc1)c1ccccc1 89064176 XFXMPCAPHDKJLJ-AWEZNQCLSA-N 242.274 2.264 0 30 BEAC CC1(C)CN(c2ccccc2)C(=S)N1 2010507 VSWFMNJNVGGNJK-UHFFFAOYSA-N 206.314 2.160 0 30 BEAC O=Cc1ccccc1OC[C@H]1CCCCO1 20079424 MXOTWYGOMNMJEP-GFCCVEGCSA-N 220.268 2.447 0 30 BEAC CN(C)C[C@@H](N)C12CC3CC(CC(C3)C1)C2 23069973 YTAFOHJEJRSXPZ-JEFIIJIESA-N 222.376 2.092 0 30 BEAC NCc1ccncc1OCc1ccccc1 89064992 RSPRNXJIYWXVOP-UHFFFAOYSA-N 214.268 2.119 0 30 BEAC in-vitro Cc1ccc(C)c(S(=O)(=O)C(F)F)c1 240377 OXAFRBYZAGHGRQ-UHFFFAOYSA-N 220.240 2.300 0 30 BEAC COc1cc(COC(C)=O)c(OC)c(C)c1C 6068758 CCELRWHYVSHVSI-UHFFFAOYSA-N 238.283 2.384 0 30 BEAC Nc1cc(Br)c[nH]c1=S 40714047 CQMJOLDROOGWCU-UHFFFAOYSA-N 205.080 2.089 0 30 BEAC in-vitro Nc1ccc2c(c1)C1(CCCCC1)C(=O)N2 57939326 HQQMWMAGFGCMAK-UHFFFAOYSA-N 216.284 2.423 0 30 BEAC Cc1cc2cc(Br)ccn2n1 82373785 DZEGOCJHDNLGDW-UHFFFAOYSA-N 211.062 2.405 0 30 BEAC CC(C)(C)c1ccc2c(c1)NC(=O)C2=O 238140656 ZWBXAOPNGYGYRB-UHFFFAOYSA-N 203.241 2.119 0 30 BEAC CC(=O)SCC[C@H]1CCCCN1C(C)=O 238852614 GOPQOVWBOBOLSX-LLVKDONJSA-N 229.345 2.057 0 30 BEAC O=C(O)c1ccc(Cl)c(N2CCCC2)n1 669382325 JVFWIJWTSCIYGP-UHFFFAOYSA-N 226.663 2.033 0 30 BEAC NNc1ccc(-c2ccc(Cl)s2)nn1 27709490 LZYBUYIBVPBBPV-UHFFFAOYSA-N 226.692 2.144 0 30 BEAC Cc1cnc(Cl)nc1N1CCCCC1 85786802 LTLZCSZTXKFWST-UHFFFAOYSA-N 211.696 2.429 0 30 BEAC Cn1cc2c(Br)cc(F)cc2n1 205827636 HCVQZTGIWWBSRK-UHFFFAOYSA-N 229.052 2.475 0 30 BEAC CC(C)(C)OC(=O)C1(C(=O)O)C(C)(C)C1(C)C 407986163 HDNPSMJORNYWOV-UHFFFAOYSA-N 242.315 2.465 0 30 BEAC Cc1cc(Br)cc2c1C(=O)CO2 714106225 GSEZQJHZLLGCSK-UHFFFAOYSA-N 227.057 2.333 0 30 BEAC OC[C@]12C[C@H]1CCCN2Cc1ccccc1 1535543470 XNUMZKXAUSEGGA-ZIAGYGMSSA-N 217.312 2.033 0 30 BEAC COc1cccc(C)c1C1(C(=O)O)CC1 215321744 OYEYLOLLQSBOQE-UHFFFAOYSA-N 206.241 2.120 0 30 BEAC COC(=O)c1cc2c([nH]1)C(C)(C)CCC2 261228394 YLYCGERJRDHPSY-UHFFFAOYSA-N 207.273 2.415 0 30 BEAC C[C@H](O[C@H](C)Cc1ccccc1)[C@@H](C)O 32219776 JXKKNPQOWWYZAM-UTUOFQBUSA-N 208.301 2.404 0 30 BEAC CCOC(=O)c1ccc([C@H](O)CC)cc1 39117754 DTTSRNBCKONNSB-LLVKDONJSA-N 208.257 2.307 0 30 BEAC Oc1cc(Br)cc([C@H]2CCNC2)c1 84549288 VAJSLOUPAULHAV-ZETCQYMHSA-N 242.116 2.232 0 30 BEAC CCC(=O)O[C@@H]1C=C[C@@H]2[C@@H]1[C@H]1C=C[C@H]2C1 111885987 MIXFYHGXLDJZDK-OBBGECFZSA-N 204.269 2.316 0 30 BEAC CC(=Nc1nc2ccccc2[nH]1)[C@@H]1CCOC1=O 254352465 TXIJGUHNNCGKQE-VIFPVBQESA-N 243.266 2.218 0 30 BEAC C=CC(=O)O[C@@H]1C=C[C@@H]2[C@H]3C=C[C@@H](C3)[C@@H]12 256081591 VEVJYJYFAXTUGJ-ZTVLKNOQSA-N 202.253 2.092 0 30 BEAC COC1=NCCCC[C@@H]1C1CCOCC1 584880022 SMOSJIORUHBOMN-LLVKDONJSA-N 211.305 2.258 0 30 BEAC N[C@H]1CCN(c2ccc(Cl)cc2F)C1 42590316 KCQYDDPNSIPFMZ-QMMMGPOBSA-N 214.671 2.017 0 30 BEAC Brc1c2c(nn1C1CC1)CCC2 258320904 TXBBEHODCMRULV-UHFFFAOYSA-N 227.105 2.469 0 30 BEAC CCOC(=O)C[C@@H]1CC(=O)[C@H](C)C1(C)C 202785034 JTNOMNBPNMIGFZ-IUCAKERBSA-N 212.289 2.191 0 30 BEAC CN1C(=O)SC(=Cc2ccc(F)cc2)C1=O 2265233882 YQTXVWFGGPHAAL-UHFFFAOYSA-N 237.255 2.492 0 30 BEAC CC(=O)n1nccc1-c1c(C)nc2ccccn12 123946 PPBQIQODZBBJLC-UHFFFAOYSA-N 240.266 2.166 0 30 BEAC CC(C)[C@@H](c1ccccc1)N1CCNCC1 20264436 LYOGHBFYBNAXAE-AWEZNQCLSA-N 218.344 2.289 0 30 BEAC N[C@H](CCO)c1cc(Cl)cc(Cl)c1 44232229 GDDRJIHKCNSDRF-SECBINFHSA-N 220.099 2.376 0 30 BEAC CN1CCC[C@H](CN)[C@@H]1c1cccs1 69796360 DPKWXOKHANQUNA-MWLCHTKSSA-N 210.346 2.090 0 30 BEAC O=C(O)c1cc2nc(Br)sc2[nH]1 145382260 SVIVRHLPLTZAAE-UHFFFAOYSA-N 247.073 2.085 0 30 BEAC NNc1cccc(Br)c1Cl 238581703 QWVUWLRUWYYRQJ-UHFFFAOYSA-N 221.485 2.388 0 30 BEAC C[C@@H]1N[C@H](C)CC[C@H]1C(=O)OC(C)(C)C 308316915 GNDMYZBKBJRDSQ-KXUCPTDWSA-N 213.321 2.105 0 30 BEAC Fc1cc2nc(Cl)nc(Cl)c2cn1 1525646562 HBFGBPALFRIKFS-UHFFFAOYSA-N 218.018 2.471 0 30 BEAC Cc1ccc2cc(NCCCN)ccc2n1 39109619 WNLOIRKWPKOWGD-UHFFFAOYSA-N 215.300 2.304 0 30 BEAC CCC1=N[C@](C)(C(=O)O)Cc2ccccc21 90415210 TVYGSNHPABSXAA-ZDUSSCGKSA-N 217.268 2.285 0 30 BEAC CC1(C)CC[C@@H](CO)N(C(=O)OC(C)(C)C)C1 521399789 REZRWJHXGJTUIK-JTQLQIEISA-N 243.347 2.404 0 30 BEAC CC(C)(C)OC(=O)NC1C[C@@H]2CC[C@H](C1)O2 1565503779 WHVZKNBUKMWUMV-PBINXNQUSA-N 227.304 2.221 0 30 BEAC O=C(O)c1c[nH]c2ccnc(Br)c12 14986210 JLDJTYPAONDMKO-UHFFFAOYSA-N 241.044 2.024 0 30 BEAC Cc1onc(Cc2ccccc2)c1C(=O)O 16719710 CDAOOSNXQFJADJ-UHFFFAOYSA-N 217.224 2.272 0 30 BEAC O=C(c1ccc(O)cc1F)C(F)(F)F 75855060 LXYKWTYQYAQKTN-UHFFFAOYSA-N 208.110 2.276 0 30 BEAC CCOC(=O)/C(Br)=C\C(F)(F)F 83261416 PQHJSEFAYJGCNJ-ONEGZZNKSA-N 247.010 2.391 0 30 BEAC CC(=O)N1C[C@H]2CCC(=O)c3cccc1c32 95829665 INQHKQCQMHANMS-SECBINFHSA-N 215.252 2.113 0 30 BEAC in-vitro O=C1CS[C@H](c2cccnc2)N1CC1CC1 100842 FMSFLRXNZIRXFQ-GFCCVEGCSA-N 234.324 2.066 0 30 BEAC O=C(O)[C@H]1CC[C@H](c2ccc(Cl)cc2)N1 1664703 CIDBGTQSUQXHLM-NXEZZACHSA-N 225.675 2.218 0 30 BEAC CSCCCCN1C(=O)c2ccccc2C1=O 38977842 GBTBJCDZIYEDAI-UHFFFAOYSA-N 249.335 2.426 0 30 BEAC CC(C)(C)OC(=O)N1CCC2(CC2)C[C@@H]1CO 114871789 IGNPZIKVBPDVMR-SNVBAGLBSA-N 241.331 2.158 0 30 BEAC O=C(O)c1ccc(O[C@H]2CCCCO2)cc1F 686650573 OETGAWNRCYKXNA-NSHDSACASA-N 240.230 2.429 0 30 BEAC COC(=O)c1cnc2c(Cl)c[nH]c2c1 44712934 NBCMXSJIQKNDCJ-UHFFFAOYSA-N 210.620 2.003 0 30 BEAC CCOC(=O)[C@@]12CCCCC1=CC(=O)CC2 1595279 SRDFWBNFGXTHOY-CYBMUJFWSA-N 222.284 2.399 0 30 BEAC N#CNc1ccc2nccnc2c1Br 140356439 BDNRNAIKQPMCFL-UHFFFAOYSA-N 249.071 2.285 0 30 BEAC in-vitro CN1CCC[C@H](Cc2cccc(N)c2)C1 214565272 IQNRGLZYIPPDJV-GFCCVEGCSA-N 204.317 2.153 0 30 BEAC Cc1ccc(Cl)cc1N1C(=O)CCC1=O 101396 RNZQQTIKRIDDNU-UHFFFAOYSA-N 223.659 2.302 0 30 BEAC FC(F)(F)Oc1ccc2c(c1)CCNC2 12481643 YUAWGGOYRXDHGZ-UHFFFAOYSA-N 217.190 2.231 0 30 BEAC C[C@]1(C2CC2)CNCCN1Cc1ccccc1 82934543 MSBZMLFPZSQPNX-OAHLLOKOSA-N 230.355 2.261 0 30 BEAC COc1c(Cl)cc(C(=O)O)nc1Cl 238389036 IFGYWGRDUWYAOI-UHFFFAOYSA-N 222.027 2.095 0 30 BEAC COc1cccc(Cl)c1[C@@H]1CNCCO1 258176905 AEMPEATUDLEJMI-JTQLQIEISA-N 227.691 2.010 0 30 BEAC CCO[C@H](C)O[C@@H]1C[C@H]2C[C@H]1C=C2N(C)C 584599918 ZLNXXORAQOJWRU-SRRSOLGSSA-N 225.332 2.239 0 30 BEAC CC(=O)OCC[C@H]1CC(=O)[C@H](C)C1(C)C 6037231 ODBRWRPMELYFSQ-WPRPVWTQSA-N 212.289 2.191 0 30 BEAC C[C@@H]1CCCC[C@@H]1NCCN1CCCC1 20126758 WRAGCZRZLICCPC-OLZOCXBDSA-N 210.365 2.251 0 30 BEAC NCCCN1CCC2(CCCCC2)CC1 61818690 DPLPNDCCIKBETB-UHFFFAOYSA-N 210.365 2.382 0 30 BEAC C[Si](C)(CCCN)N1CCC[Si]1(C)C 196013614 IELVEAVYQVBGNX-UHFFFAOYSA-N 230.504 2.451 0 30 BEAC CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](N)[C@H]1C2 669379323 BYJPOAKKHGBLSP-GMTAPVOTSA-N 240.347 2.123 0 30 BEAC CC(=O)c1sc2nc(C(F)(F)F)nn2c1C 124289 LOHFXMQRKWSWBN-UHFFFAOYSA-N 249.217 2.321 0 30 BEAC O=S1(=O)N=C(Cl)c2ccc(Cl)cc21 6094052 VJJUJEMEUPXOOB-UHFFFAOYSA-N 236.079 2.028 0 30 BEAC CC[C@@H]1OC(=O)[C@@]2(c3ccccc3F)C[C@@H]12 39102240 UCJQVQOJMILTQP-XHVZSJERSA-N 220.243 2.419 0 30 BEAC CN1CCc2cccc(Br)c2C1 40435046 HEVSJNXWDZDGHL-UHFFFAOYSA-N 226.117 2.437 0 30 BEAC Cc1c(C(=O)O)ccc2c1OC(F)(F)O2 138777672 WZWWABXHLNOYJW-UHFFFAOYSA-N 216.139 2.015 0 30 BEAC in-vitro Cc1[nH]nc(Br)c1C(F)(F)F 536947825 PNTYIKUQBSRRLI-UHFFFAOYSA-N 228.999 2.499 0 30 BEAC C[C@]1(c2ccc(C(=O)O)c(F)c2)CCO1 958691635 FGYWVAQGOBVCCX-LLVKDONJSA-N 210.204 2.159 0 30 BEAC O=P(O)(O)Cc1c(O)ccc2ccccc12 2568298 MUXZJLFAEIFJFU-UHFFFAOYSA-N 238.179 2.223 0 30 BEAC C=CC(=O)NCN(CCCC)CCCC 5821186 ZLVXBBQUJFPPNR-UHFFFAOYSA-N 212.337 2.148 0 30 BEAC COc1ccc(-c2noc(Cl)n2)cc1 37926782 JBAVKCTVTHWSTI-UHFFFAOYSA-N 210.620 2.399 0 30 BEAC in-vitro O=C(O)Cc1csc(Br)c1 83018537 LECLHWWOMUWTCA-UHFFFAOYSA-N 221.075 2.138 0 30 BEAC CN(C)C[C@H]1CCc2[nH]c3ccccc3c2C1=O 22002122 UEWOZJZAMBVKAE-SNVBAGLBSA-N 242.322 2.475 0 30 BEAC COC(=O)c1cccc2nc(Cl)oc12 107213709 PYNKJHQTRUBYRR-UHFFFAOYSA-N 211.604 2.268 0 30 BEAC C[C@@H](c1ccccn1)N(C)[C@H]1CCCCN1 242463736 DILMUIWNBOBMBE-AAEUAGOBSA-N 219.332 2.174 0 30 BEAC C[C@@H]1N[C@H](CNC(=O)OC(C)(C)C)CC[C@H]1C 306274001 JRWSHTPBPKDBAQ-VWYCJHECSA-N 242.363 2.288 0 30 BEAC CCOc1nn2ccnc2c2ccccc12 39100019 VOZMGUFRRZRVFB-UHFFFAOYSA-N 213.240 2.281 0 30 BEAC Clc1ccc2nnc(Br)n2c1 213967240 FPJNKKHOUBZUNQ-UHFFFAOYSA-N 232.468 2.145 0 30 BEAC COC(=O)[C@@H](C)CC(=O)c1ccccc1 43368942 BHAJKRHRCMDFEC-VIFPVBQESA-N 206.241 2.069 0 30 BEAC COC(=O)[C@]12CCCCC[C@H]1CC(=O)CC2 222118503 UQKNPEUNVZXMSI-GWCFXTLKSA-N 224.300 2.479 0 30 BEAC COC(=O)[C@@H](O)c1ccc2ccccc2c1 50974377 FYYNCCJQFYAANR-LBPRGKRZSA-N 216.236 2.046 0 30 BEAC COC(=O)/C=C/c1nc2ccccc2s1 7432737 RMHXYHBNENTPOO-VOTSOKGWSA-N 219.265 2.483 0 30 BEAC Cc1ccccc1-c1nnsc1C(=O)O 72416301 AUUJRSSDFLCPAP-UHFFFAOYSA-N 220.253 2.212 0 30 BEAC Nc1cc(O[C@H]2CCOC2)cc(C(F)(F)F)c1 115697071 ULQOYGJXCQYJAU-VIFPVBQESA-N 247.216 2.455 0 30 BEAC C[C@@H]1NC[C@@H](C)N(Cc2ccccc2)[C@H]1C 307024545 YWCNGENQNHPONV-AGIUHOORSA-N 218.344 2.257 0 30 BEAC CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CCN2 687811993 ZBTWSHIOTBDKMB-GXFFZTMASA-N 240.347 2.043 0 30 BEAC N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1 33426906 NBOULRXVDQMSTM-ZETCQYMHSA-N 214.671 2.017 0 30 BEAC in-vitro Cc1cncc(C)c1-c1cnc(C)n1C 39105046 XTKCNDIAWNLELY-UHFFFAOYSA-N 201.273 2.407 0 30 BEAC CN(C(=O)C(C)(C)C)[C@H]1C[C@H]2C=C[C@H]1C2 100239657 QOALFBGMYNMKDM-DCAQKATOSA-N 207.317 2.456 0 30 BEAC CCCCCCCCS[C@H]1CC(=O)NC1=O 100292923 XVMLYNNYUGRIPI-JTQLQIEISA-N 243.372 2.495 0 30 BEAC CCOc1cc(C(F)(F)F)nc(S)n1 238261064 QHVGVITYNGRXAU-UHFFFAOYSA-N 224.207 2.183 0 30 BEAC CC(C)(C)OC(=O)NCC[C@H]1CCC(=O)C1 1554713958 RCJJUXLHMUNASC-SECBINFHSA-N 227.304 2.270 0 30 BEAC O=C(O)Cc1ccccc1C1(O)CCCC1 2265364146 IUORGABYRREEHD-UHFFFAOYSA-N 220.268 2.075 0 30 BEAC CCCN[C@@H](C)[C@H]1COc2ccccc2O1 1843857 RXBKKPJEJZBXOF-GXFFZTMASA-N 221.300 2.215 0 30 BEAC CCCC[C@@H](N)C(=O)OCc1ccccc1 34223788 VHHCAGBVYBIOCK-GFCCVEGCSA-N 221.300 2.247 0 30 BEAC CSc1ccc(CC(=O)O)cc1F 139540754 XVAHBBIJHVCBKG-UHFFFAOYSA-N 200.234 2.175 0 30 BEAC O=C(O)c1cc(OC(F)F)ccc1F 47203362 OEBLBSRRDVNQSM-UHFFFAOYSA-N 206.119 2.125 0 30 BEAC in-vitro FCCOc1ccc(Br)nc1 221510140 QGSIDJQTKZJJSV-UHFFFAOYSA-N 220.041 2.192 0 30 BEAC in-vitro COc1cc2c(c(O)c1C)CO[C@@H](C)C2 1842389 OQMJILQCXYKZEM-ZETCQYMHSA-N 208.257 2.170 0 30 BEAC endogenous,in-man COc1ccc(C(=O)O)c(OCC(F)F)c1 20348868 WVWRSFVTTCDZTR-UHFFFAOYSA-N 232.182 2.037 0 30 BEAC CCOC(=O)C(C(=O)OCC)[C@@H]1C=CCCC1 4792326 QAPHYQDNTJEPAD-SNVBAGLBSA-N 240.299 2.085 0 30 BEAC O=C(O)[C@H]1[C@H]2C[C@@]1(c1cccc(Cl)c1)CO2 757546027 SHXOYRITGFGJGT-FOGDFJRCSA-N 238.670 2.081 0 30 BEAC CC(C)[C@H](O)C(F)(F)C(=O)c1ccoc1 34415960 WGFOQXUKMMJILJ-QMMMGPOBSA-N 218.199 2.115 0 30 BEAC FC(F)(F)C(F)(F)C1CCNCC1 1536082565 LBOYRZGGPCRUCY-UHFFFAOYSA-N 203.154 2.184 0 30 BEAC CC(C)(CCCN)NC(=O)OC(C)(C)C 700750192 RIYVDPBTNKQJCQ-UHFFFAOYSA-N 216.325 2.029 0 30 BEAC O=C(O)c1ccc(S)c(F)c1Cl 238672897 HXFVXPLRYAPVTH-UHFFFAOYSA-N 206.625 2.466 0 30 BEAC O=C1Nc2nccc(Cl)c2CN1C1CC1 205171205 XPNYFYBBLIUZBK-UHFFFAOYSA-N 223.663 2.245 0 30 BEAC COc1cc(N[C@H]2CCNC2)ccc1Cl 232198865 WXGSQXRZFDGSOP-VIFPVBQESA-N 226.707 2.122 0 30 BEAC NC1CCC(C[C@@H]2CCCC[C@@H]2N)CC1 5133910 NVNXODWZSQEWSM-MVKMKZAISA-N 210.365 2.412 0 30 BEAC Cc1ccccc1[C@H]1CCCN1CCO 142627224 MJPAZXPWSYJUSI-CYBMUJFWSA-N 205.301 2.124 0 30 BEAC COc1sc(C)nc1Br 40544431 UFPAUVNWSDZXTR-UHFFFAOYSA-N 208.080 2.223 0 30 BEAC O=C(c1ccc(Cl)cc1)c1c[nH]cn1 5286197 WQPFXWJGTTUVJK-UHFFFAOYSA-N 206.632 2.294 0 30 BEAC Cc1ccc(CNC2CCN(C)CC2)cc1 19962351 QQWKHHXNKKLBCW-UHFFFAOYSA-N 218.344 2.179 0 30 BEAC O=Cc1ncccc1OCc1ccccc1 21301098 WYLVNASPZUFUJS-UHFFFAOYSA-N 213.236 2.473 0 30 BEAC CC(=O)[C@H]1CCCN(c2ccccc2F)C1=O 1535191179 UHRARZCJDQSHPH-SNVBAGLBSA-N 235.258 2.158 0 30 BEAC COc1ccc([C@H](N)C(F)F)cc1F 87688370 BSJSZDJLQOBJEX-QMMMGPOBSA-N 205.179 2.099 0 30 BEAC CC(C)(C)OC(=O)C(=O)c1ccc(F)cc1 616582091 BHCKKUGZTFMRSM-UHFFFAOYSA-N 224.231 2.350 0 30 BEAC COC(=O)c1cc(N)cc(C(C)(C)C)c1 14909872 ZJKQEDRNAHPWOJ-UHFFFAOYSA-N 207.273 2.353 0 30 BEAC in-vitro CCCc1nsc(Br)n1 83669852 WIOYJDOLTKPSGJ-UHFFFAOYSA-N 207.096 2.253 0 30 BEAC in-vitro COc1ccc([C@@H]2NCC2(C)C)cc1OC 221552886 ACWICNAJFFNHEF-LBPRGKRZSA-N 221.300 2.374 0 30 BEAC CC(C)(C)OC(=O)NCCc1ccncc1 83502291 USCDBHWHNSBPSG-UHFFFAOYSA-N 222.288 2.149 0 30 BEAC in-vitro Cc1ccc(N)cc1Cc1ccc(N)cc1N 33637488 ZZCDIYKHQYWFKV-UHFFFAOYSA-N 227.311 2.332 0 30 BEAC COc1cc(Cl)c(C)c2c1NCC2=O 89203893 HEHAHXHKWCSFPG-UHFFFAOYSA-N 211.648 2.265 0 30 BEAC CC(C)[C@@H](C(=O)O)[C@H](C)NC(=O)OC(C)(C)C 96170771 LZBYZAYOBAYHGM-DTWKUNHWSA-N 245.319 2.256 0 30 BEAC CC(C)(C)OC(=O)NC[C@H]1CCC[C@H](O)C1 121853915 OJYZYWNWTHPMGT-UWVGGRQHSA-N 229.320 2.062 0 30 BEAC O=C(O)c1cc2c(F)cc(F)c(F)c2[nH]1 236472172 FDONAEMTXHBAJT-UHFFFAOYSA-N 215.130 2.283 0 30 BEAC N[C@H]1CC[C@@H](n2cc(Br)cn2)CC1 521399443 ILBAFRKMTWKWIN-DTORHVGOSA-N 244.136 2.088 0 30 BEAC C[N+]([O-])=Cc1cccc(Br)c1 101017828 IDVIRZLUYGWNOI-UHFFFAOYSA-N 214.062 2.008 0 30 BEAC CC(C)(C)OC(=O)NCCNC1CCCC1 113311933 BUFBKMYBMJMTNJ-UHFFFAOYSA-N 228.336 2.043 0 30 BEAC C[C@H](CN1CCC[C@@H](N)C1)c1ccccc1 217510208 FSKQNTJMJABZFU-TZMCWYRMSA-N 218.344 2.213 0 30 BEAC CSc1nc(Cl)cc(-n2ccnc2)n1 84198945 BWKHBRATJFLINE-UHFFFAOYSA-N 226.692 2.038 0 30 BEAC O=[S@](O)c1nc2cccc(F)c2s1 950757301 RDLDHMHFEVNABY-UHFFFAOYSA-N 217.246 2.016 0 30 BEAC CCOC(=O)CC[C@H]1CCCC[C@H]1N(C)C 38611816 ZRFQIXZAJFYQED-VXGBXAGGSA-N 227.348 2.450 0 30 BEAC CN1Cc2ccccc2[C@](O)(c2ccccc2)C1 26378481 KEVNEIPRCIYVOT-MRXNPFEDSA-N 239.318 2.368 0 30 BEAC COc1cccc([C@@H](C)[C@H]2CCNC2)c1 70627885 FEWXZMIVEAKPBV-PWSUYJOCSA-N 205.301 2.408 0 30 BEAC C[C@@H](N)Cc1cc(Br)ccc1F 19270875 GWXIGTGDZHMEFQ-ZCFIWIBFSA-N 232.096 2.478 0 30 BEAC in-vitro O=C(O)[C@H](Cc1ccccc1)C(F)(F)F 36449021 PANCHYASFLIUMK-QMMMGPOBSA-N 218.174 2.492 0 30 BEAC CC(=O)NSc1nc2ccccc2s1 45237558 CPMGCOQDXXAFCB-UHFFFAOYSA-N 224.310 2.440 0 30 BEAC COc1nccc(C)c1I 238424130 GQPXSPKJNSKBGZ-UHFFFAOYSA-N 249.051 2.003 0 30 BEAC COc1cc(Br)cc2c1[C@H](N)CC2 238456102 KLMGMEMNUFVQEV-MRVPVSSYSA-N 242.116 2.404 0 30 BEAC c1cc(O[C@H]2CCCNC2)ncc1C1CC1 536952451 ZKOHYZBBQSQLCY-LBPRGKRZSA-N 218.300 2.090 0 30 BEAC Cc1ccc([C@@H]2C[C@H]2C(=O)O)c(Cl)n1 1536136071 BQOBTIYEGSCYCA-JGVFFNPUSA-N 211.648 2.232 0 30 BEAC O=C(Nc1c(F)cccc1F)C(F)(F)F 138487 JZCNHJAYRJZQGO-UHFFFAOYSA-N 225.116 2.466 0 30 BEAC biogenic CC(C)(C)OC(=O)N1CCC(C)(C)[C@H](CO)C1 958559474 YGHFLEQNMACVCK-JTQLQIEISA-N 243.347 2.262 0 30 BEAC Cc1cc(C(=O)OC(C)(C)C)cc(O)n1 382798126 PROXWVABNYILJJ-UHFFFAOYSA-N 209.245 2.051 0 30 BEAC C[C@H](N)c1nnc(-c2cccc(F)c2)s1 83320360 GURDHSSPELXLEO-LURJTMIESA-N 223.276 2.364 0 30 BEAC CSC1=NN[C@@H](c2ccccn2)S1 127334 COBKEFOWTCEAKB-SSDOTTSWSA-N 211.315 2.051 0 30 BEAC CCN1CCO[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 27191887 ILMWHLYQRWFIJV-UKRRQHHQSA-N 242.322 2.486 0 30 BEAC CCO[C@H](C)OC[C@H](C)O[C@@H](C)OCC 33839264 TZVJNJVDGXFMCF-DCAQKATOSA-N 220.309 2.173 0 30 BEAC endogenous,in-man Cc1cc(NC(=O)Nc2ccccc2)n(C)n1 35606179 BDENCSROZBVAQQ-UHFFFAOYSA-N 230.271 2.373 0 30 BEAC Brc1ccccc1C1CNC1 84199125 DPTFMVJMOFNVTN-UHFFFAOYSA-N 212.090 2.136 0 30 BEAC C[C@H](CO)[C@@H](N)c1ccc(Br)cc1 85527313 VZFAHARCGRLZCQ-GMSGAONNSA-N 244.132 2.077 0 30 BEAC COc1ccc(-c2nnc3ccncc3n2)cc1 196039584 MDBTTZWKNMXXGY-UHFFFAOYSA-N 238.250 2.095 0 30 BEAC Cc1cc(Br)c(C=O)nc1C 2265384810 NALWXPNNLRTBPI-UHFFFAOYSA-N 214.062 2.273 0 30 BEAC CC(=O)c1ccc(CC2CCNCC2)cc1 19780219 ASZJJSYYOZMGKP-UHFFFAOYSA-N 217.312 2.431 0 30 BEAC FC(F)(F)c1cnc(Br)[nH]1 34431448 VFGFJTUKOPRNEJ-UHFFFAOYSA-N 214.972 2.191 0 30 BEAC Nc1cccc(N2C(=O)CC3(CCCC3)C2=O)c1 35056385 KTFPWRGUBKCAEK-UHFFFAOYSA-N 244.294 2.093 0 30 BEAC in-vitro CC(C)C(=O)CC1CN(C(=O)OC(C)(C)C)C1 406124261 STLCCXNVWUOGKL-UHFFFAOYSA-N 241.331 2.469 0 30 BEAC CCCCOC(=O)CC(=O)C(C)(C)C 33609133 ZSQISGIWXTVFEZ-UHFFFAOYSA-N 200.278 2.335 0 30 BEAC COC(=O)c1cccc2[nH]c(C(C)C)nc12 76211269 SRGMJYPQIPUYQY-UHFFFAOYSA-N 218.256 2.473 0 30 BEAC Cc1cccc(C[C@H](N)[C@H]2CCCO2)c1 83712480 MYJINOUQHVHLNH-QWHCGFSZSA-N 205.301 2.044 0 30 BEAC CO[C@@H]1CCCC[C@H]1O[C@@H]1CCCC[C@@H]1O 217979371 XXZQZEJIPQOKSW-UMSGYPCISA-N 228.332 2.264 0 30 BEAC Cc1ccc(-c2cc(O)cc(=O)o2)cc1 15782593 YNHUJSJDJHYPLE-UHFFFAOYSA-N 202.209 2.321 0 30 BEAC CC(=O)OCC1=CC[C@H](C(C)(C)O)CC1 32210636 GAJGPKMCPGWYGC-NSHDSACASA-N 212.289 2.047 0 30 BEAC COC(=O)c1nc2c(OC)cccc2s1 45238088 XIOQHNMXWREXDS-UHFFFAOYSA-N 223.253 2.092 0 30 BEAC Cc1ccccc1NC(=O)[C@H](C)N1CCCC1 51 WJOQWLQQCYYQBE-LBPRGKRZSA-N 232.327 2.418 0 30 BEAC in-man C[C@H]1C[C@H](C)CN(c2ccc(N)cc2C(=O)O)C1 53224671 PEPUMPQTKIHPMR-UWVGGRQHSA-N 248.326 2.449 0 30 BEAC Cc1cn(-c2ccccc2Cl)nc1N 54404863 ZWEIWDCOWUIHLT-UHFFFAOYSA-N 207.664 2.416 0 30 BEAC in-vitro C[C@H]1C(=O)C[C@@H](C)CN1Cc1ccccc1 68592974 FABAJOBMSRCVJN-NEPJUHHUSA-N 217.312 2.486 0 30 BEAC CN[C@H](Cc1ccc(F)cc1)c1nccn1C 69473517 KIBJDPKTDDWUAY-GFCCVEGCSA-N 233.290 2.062 0 30 BEAC CC(C)(C)OC(=O)N1CC[C@H](N)c2cccnc21 306997030 UWZQDSMJOIIVLK-JTQLQIEISA-N 249.314 2.227 0 30 BEAC c1ccc(CN2C[C@]34CCC[C@@]3(CNC4)C2)cc1 1535320934 YGZQMQLLYOJBSF-HZPDHXFCSA-N 242.366 2.262 0 30 BEAC O[C@H]1CCc2cc(Br)c(Cl)nc21 2265381446 CTOAEQYRAJOTFE-LURJTMIESA-N 248.507 2.477 0 30 BEAC CC(C)N1CCC(n2nnc3ccccc32)CC1 171249 DBRPJAOBTIGJHY-UHFFFAOYSA-N 244.342 2.477 0 30 BEAC O[C@H]1C=Cc2ccc3ccccc3c2[C@H]1O 4096428 FOTICWSJABVKPW-JSGCOSHPSA-N 212.248 2.261 0 30 BEAC biogenic,in-vitro O=C(OCc1ccccc1)N1CCCOC1 74881358 CYZGSLYDCWLRCA-UHFFFAOYSA-N 221.256 2.003 0 30 BEAC CCOC(=O)CCc1ccc(F)cc1F 84193862 CMHMAHXFSAZCOO-UHFFFAOYSA-N 214.211 2.461 0 30 BEAC CCO[C@H](C)OC[C@H](C)O[C@H](C)OCC 100051224 TZVJNJVDGXFMCF-GARJFASQSA-N 220.309 2.173 0 30 BEAC endogenous,in-man O=c1[nH]c2ccccc2nc1C=Cc1cccnc1 2265263991 WOYMZRWUKAMJMT-UHFFFAOYSA-N 249.273 2.489 0 30 BEAC Oc1nc(-c2cccc(C(F)(F)F)c2)no1 34482986 KYELIEUHUOQBJA-UHFFFAOYSA-N 230.145 2.461 0 30 BEAC COc1cc(OC)cc(-c2noc(Cl)n2)c1 37926889 RVOCAEMKKUEUMS-UHFFFAOYSA-N 240.646 2.407 0 30 BEAC CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 40443126 ZDIZVOYIUYVPCG-VHSXEESVSA-N 229.320 2.014 0 30 BEAC C[C@@H](CN(C)C)n1sc2ccccc2c1=O 44712544 KUWYBHQNQPKOCD-VIFPVBQESA-N 236.340 2.186 0 30 BEAC COc1nnc(-c2ccc(Cl)cc2)o1 6019389 ZFMXLEKTIPSDTG-UHFFFAOYSA-N 210.620 2.399 0 30 BEAC CC(C)OC(=O)CCC(=O)c1ccc(N)cc1 33610996 NMZHMAPEDXIGEK-UHFFFAOYSA-N 235.283 2.183 0 30 BEAC CC(C)=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)O 34239569 YTDSOUMESZDICW-SECBINFHSA-N 243.303 2.321 0 30 BEAC O=C(O)c1cc(Br)sc1F 514265776 FZBUJZHCFVNBRW-UHFFFAOYSA-N 225.038 2.348 0 30 BEAC COc1cc(C(=O)O)c(C(F)F)cc1OC 216659168 DWGSLBCHSJIGQM-UHFFFAOYSA-N 232.182 2.340 0 30 BEAC COP(=O)(OC)[C@H]1C2C[C@@H]3C1[C@@H]3C2 1723859 LNJZOUNKFXDNDY-YQXWHEHVSA-N 202.190 2.127 0 30 BEAC N[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1 20383265 ZKNNBBPJOIBHBO-ZCFIWIBFSA-N 245.109 2.057 0 30 BEAC CN1Cc2ccccc2[C@@](O)(c2ccccc2)C1 26378478 KEVNEIPRCIYVOT-INIZCTEOSA-N 239.318 2.368 0 30 BEAC COc1ccc(OC)c([C@@H](O)C(C)C)c1 32012373 QEUSADCXJYHFBM-LBPRGKRZSA-N 210.273 2.393 0 30 BEAC COC(=O)c1ccc(C(C)(F)F)cc1N 118783498 KYNLILFLVKZVDJ-UHFFFAOYSA-N 215.199 2.167 0 30 BEAC COc1c2ccoc2cc2oc(CO)cc(=O)c12 5998739 QBZKHNHPZMJJJI-UHFFFAOYSA-N 246.218 2.040 0 30 BEAC biogenic,in-vitro CCCCC(=O)OCc1cc(O)cc(O)c1 39098788 DOHOZOMWVBUZCC-UHFFFAOYSA-N 224.256 2.331 0 30 BEAC N[C@H]1CCCc2c1cnn2-c1ccccc1 72415609 KMCIRCGUHOQEFJ-LBPRGKRZSA-N 213.284 2.208 0 30 BEAC Nc1cc(Br)cnc1C1CC1 238604103 VOZRPOKTOIICQA-UHFFFAOYSA-N 213.078 2.304 0 30 BEAC N[C@H](CC(F)(F)F)C(=O)OCc1ccccc1 253179064 ASARFTBQJPRKHV-SECBINFHSA-N 247.216 2.010 0 30 BEAC N[C@H](CCC(=O)O)Cc1ccsc1Cl 312693100 IEEDVGUNUADKKD-SSDOTTSWSA-N 233.720 2.136 0 30 BEAC FC(F)(F)c1c[nH]c(-c2cccnc2)n1 19616234 BSIXIBWASJDSKW-UHFFFAOYSA-N 213.162 2.491 0 30 BEAC in-vitro CC1CCC(NCCN2CCCC2)CC1 20126745 NUFOESUFYLMEPX-UHFFFAOYSA-N 210.365 2.251 0 30 BEAC Cn1c2ccc(N)cc2c2cc(N)ccc21 32238204 KPIAHQAOODFLBZ-UHFFFAOYSA-N 211.268 2.496 0 30 BEAC OC[C@H](O)c1ccc(Cl)cc1Cl 38611244 HZAZETJSOZQUJL-QMMMGPOBSA-N 207.056 2.019 0 30 BEAC COc1cccc(C=C2CCNCC2)c1 75772350 VKTTUWOYAYRJDX-UHFFFAOYSA-N 203.285 2.462 0 30 BEAC CN(C)C=C(C(=S)N(C)C)c1ccccc1 2265222000 OJPZQPKBYKIGJT-UHFFFAOYSA-N 234.368 2.478 0 30 BEAC CCC[C@H](OC(=O)C(C)C)[C@@H](CC)CO 32218652 SXNNFRPGPOKUEN-QWRGUYRKSA-N 216.321 2.373 0 30 BEAC Cc1ccccc1N1C(=O)CCC1=S 39124771 YPGCUGCWPOJLSV-UHFFFAOYSA-N 205.282 2.449 0 30 BEAC N[C@@H]1CCOc2c(F)cc(Cl)cc21 75882235 OIVYNUIVZGGTAZ-MRVPVSSYSA-N 201.628 2.261 0 30 BEAC C[Si](C)(C)NC(=O)Cc1ccccc1 195807381 INSCXFROAQGNNH-UHFFFAOYSA-N 207.349 2.180 0 30 BEAC CCOC(=O)[C@]1(c2ccc(F)cc2)CCO1 260420111 NTZVPJWDMDIGPG-GFCCVEGCSA-N 224.231 2.004 0 30 BEAC Cc1cccc(Cl)c1Nc1ncnc(N)n1 89342 TZCURJOBXSQNLD-UHFFFAOYSA-N 235.678 2.159 0 30 BEAC Nc1nnc(Nc2ccc(C(F)(F)F)cc2)o1 236379350 PUJOSSPCXWCLFD-UHFFFAOYSA-N 244.176 2.414 0 30 BEAC Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N 54716434 RMJPREAIXSMPOO-YFKPBYRVSA-N 221.226 2.082 0 30 BEAC in-vitro CCOC(=O)[C@H](C)Oc1cccc2[nH]ccc12 238790962 JBANODPAHWSJLJ-VIFPVBQESA-N 233.267 2.498 0 30 BEAC CCOC(=O)c1csc(Nc2ccncc2)n1 113044 UIMHAGZRGWCTHY-UHFFFAOYSA-N 249.295 2.458 0 30 BEAC COc1ccc2c(c1)CCN[C@@H]2c1ccncc1 19625655 YTQCJMMJKRBJGA-OAHLLOKOSA-N 240.306 2.325 0 30 BEAC CCOC(=O)[C@@H]1C[C@@H](C(C)C)CCC1=O 54556966 BSEGZDIJFOLZPJ-VHSXEESVSA-N 212.289 2.191 0 30 BEAC NCCc1c[nH]c2cc(Cl)c(F)cc12 146313788 JBZFTKREFKPKPD-UHFFFAOYSA-N 212.655 2.462 0 30 BEAC CCOC(=O)c1c(CC)noc1Br 260305976 JMTROWDKYFXJCT-UHFFFAOYSA-N 248.076 2.176 0 30 BEAC CCN(C)Cc1cccc(C)c1NC(C)=O 39110282 YZHRUPYMRJAOLD-UHFFFAOYSA-N 220.316 2.405 0 30 BEAC OCCc1cc(Br)ccc1F 78434610 CWONQYXCGBTASW-UHFFFAOYSA-N 219.053 2.123 0 30 BEAC CC(=O)[C@H]1CCCN(c2ccc(F)cc2)C1=O 1535191181 VKKFERLCLJYWAI-GFCCVEGCSA-N 235.258 2.158 0 30 BEAC CC(=O)O[C@H](C)CCc1ccc2c(c1)OCO2 6036490 WPDTWMWIRBCOSB-SECBINFHSA-N 236.267 2.300 0 30 BEAC CC(=O)O[C@H](C)CC(=O)c1ccccc1 36438763 MPODLFKNAJBQES-SECBINFHSA-N 206.241 2.211 0 30 BEAC C[C@H]1CCO[C@@H](COc2ccccc2)O1 38648054 ACCCAQVFLWDUTB-CMPLNLGQSA-N 208.257 2.217 0 30 BEAC NNc1nnc(Nc2ccccc2Cl)s1 203664147 UVBJDLSTPOXDHF-UHFFFAOYSA-N 241.707 2.221 0 30 BEAC FC1(c2cccc(Br)c2)CNC1 258030695 NVRFVJULWVUJID-UHFFFAOYSA-N 230.080 2.217 0 30 BEAC CCC(=O)[C@H]1CCCN(c2ccccc2)C1=O 1535191137 JOSIKHOZAKKEGD-GFCCVEGCSA-N 231.295 2.409 0 30 BEAC CC(C)(C)OC(=O)NC[C@]1(CN)CC12CCC2 1535646085 UHCOEIGKSCQQPS-CYBMUJFWSA-N 240.347 2.030 0 30 BEAC Nc1ccc2c(c1Br)CCC[C@H]2O 1565503749 KQMRZHXJCQUDIC-SECBINFHSA-N 242.116 2.401 0 30 BEAC Cc1cc(Cl)ccc1NC(=S)N(C)N 145159 QMNBHROGCZGXCX-UHFFFAOYSA-N 229.736 2.151 0 30 BEAC O[C@H]1C=Cc2ccc3ccccc3c2[C@@H]1O 6118286 FOTICWSJABVKPW-GXTWGEPZSA-N 212.248 2.261 0 30 BEAC biogenic,in-vitro O=c1c(Br)c[nH]c2cc(F)ccc12 41702001 VXZUBLUWFDKSQA-UHFFFAOYSA-N 242.047 2.430 0 30 BEAC Cn1c(Br)cc2cnccc21 82373783 CQDQPULVEKGLFQ-UHFFFAOYSA-N 211.062 2.336 0 30 BEAC CC(C)(C)OC(=O)NCCC[C@H]1CCCCN1 96987005 IZZIMEZFNPROHM-LLVKDONJSA-N 242.363 2.433 0 30 BEAC CC(C)(C)OC(=O)N[C@@H]1CC12CCC(=O)CC2 217101748 KJKFDUASZGJGCD-SNVBAGLBSA-N 239.315 2.413 0 30 BEAC CN1c2ccccc2CNc2cncnc21 5251 AVOBFRIKWSODCW-UHFFFAOYSA-N 212.256 2.170 0 30 BEAC Cc1ccc(=O)n(Cc2ccc(Cl)cc2)n1 92329 JCDUVAYRRREIDS-UHFFFAOYSA-N 234.686 2.253 0 30 BEAC CC(=O)c1cnc2cc(C3CC3)nn2c1C 95988 GIGLAZDYILQAPY-UHFFFAOYSA-N 215.256 2.118 0 30 BEAC COC(=O)[C@@](C)(Cl)Cc1ccccc1 83988581 OOUPJULROAEZBX-NSHDSACASA-N 212.676 2.400 0 30 BEAC in-vitro Cc1ccc(F)c(CN2CCC[C@@H]2CN)c1 220305339 BJKCFSCYQJIZAP-GFCCVEGCSA-N 222.307 2.057 0 30 BEAC O=C1C[C@H](c2cccc(OC(F)(F)F)c2)CN1 1536073078 SLPVPPIATYSNHO-QMMMGPOBSA-N 245.200 2.189 0 30 BEAC CNCc1ccc(Oc2cccnc2)o1 4277396 MUKCVLFJCGZPKF-UHFFFAOYSA-N 204.229 2.186 0 30 BEAC in-vitro Cc1cc(=O)[nH]c2c1c(-c1cccs1)nn2C 8637164 LLJHHBOKKIUZTE-UHFFFAOYSA-N 245.307 2.299 0 30 BEAC CCO[P@@]1(=O)O[C@H](C)C=C1C(C)(C)O 39098845 BQOCJOCEXADCNG-NXSYQRQQSA-N 220.205 2.290 0 30 BEAC COc1cc(OC)c2c(c1)O[C@H]1OC=C[C@H]21 39149980 KEFXQTPQVMBKRL-PRHODGIISA-N 220.224 2.050 0 30 BEAC CSc1nnc(Br)s1 81665748 XJRSSTCKTZZGHE-UHFFFAOYSA-N 211.109 2.023 0 30 BEAC CC(C)(C)OC(=O)[C@]1(C(=O)O)CC=CCC1 118225769 ZLHYEHGTPDNOOH-GFCCVEGCSA-N 226.272 2.139 0 30 BEAC CC(C)(C)OC(=O)Nc1cc(Cl)ncn1 232492234 WHVHXPVFUMYVLW-UHFFFAOYSA-N 229.667 2.477 0 30 BEAC c1ccc(CN2CC[C@H]3NCCC[C@@H]3C2)cc1 82346481 MAIRFDXCHHKPFG-HUUCEWRRSA-N 230.355 2.261 0 30 BEAC Nc1cc(Nc2ccc(Cl)cc2)nc(N)n1 82301783 SUWPASMJWAQIBT-UHFFFAOYSA-N 235.678 2.038 0 30 BEAC C[C@H]1C[C@@H](N)C[C@@H](C)N1C(=O)OC(C)(C)C 261288536 UWNNQBIGNFPJRP-MYJAWHEDSA-N 228.336 2.122 0 30 BEAC O[C@H]1CCOc2c(Br)cccc21 84150428 VAORXMXHTGIUFI-QMMMGPOBSA-N 229.073 2.265 0 30 BEAC COC(=O)C[C@H](c1ccccc1)N1CCCC1 1698272 OSVHNYZORQSSKG-CYBMUJFWSA-N 233.311 2.387 0 30 BEAC CCOC(=O)C(C(=O)OCC)[C@H]1C=CCCC1 5574372 QAPHYQDNTJEPAD-JTQLQIEISA-N 240.299 2.085 0 30 BEAC O=C(O)[C@@H]1C[C@H]1c1ccc(Br)o1 37380592 XUPWYTDBWWOLRV-RFZPGFLSSA-N 231.045 2.230 0 30 BEAC Nc1ccc(OCCc2ccccc2)nc1 19754115 YISBGZVMOROGFF-UHFFFAOYSA-N 214.268 2.285 0 30 BEAC in-vitro CCO[C@H](C)OC[C@@H](C)O[C@@H](C)OCC 33839262 TZVJNJVDGXFMCF-VWYCJHECSA-N 220.309 2.173 0 30 BEAC endogenous,in-man CCOC(=O)/C=C/c1cncc2cccnc12 216092284 KPKJWURCAPUXRW-AATRIKPKSA-N 228.251 2.206 0 30 BEAC N[C@H](C(=O)O)c1cc(Cl)sc1Cl 306240636 QTMBSLGXUZVVCE-BYPYZUCNSA-N 226.084 2.139 0 30 BEAC CNNC(=S)Nc1cccc(Cl)c1C 98303 ARZFNPCCIQKMBE-UHFFFAOYSA-N 229.736 2.069 0 30 BEAC CC(=O)NCc1c(F)cccc1Cl 138968 QCKJMNXZVNHGJN-UHFFFAOYSA-N 201.628 2.115 0 30 BEAC O=C1OCCN1c1ccc(Br)cc1 39365085 FJGPGFCQWYNYPR-UHFFFAOYSA-N 242.072 2.406 0 30 BEAC CN1/C(=C\C(=O)O)Sc2ccc(F)cc21 100287300 JZDFKSOAVAZJEO-WEVVVXLNSA-N 225.244 2.294 0 30 BEAC Sc1nnnn1-c1ccc(Cl)cc1Cl 18168515 KNXXWYFEFQMLGP-UHFFFAOYSA-N 247.110 2.258 0 30 BEAC C[C@@H]1COCC[C@@H](OC2CCCC2)O1 39112759 CECOTKSWIUWQHF-MWLCHTKSSA-N 200.278 2.097 0 30 BEAC COC(=O)[C@@H](C(C)=O)c1ccc(Cl)cc1 71532974 MIEIQQTWYPKNQJ-JTQLQIEISA-N 226.659 2.186 0 30 BEAC C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)N1 308316914 GNDMYZBKBJRDSQ-BBBLOLIVSA-N 213.321 2.105 0 30 BEAC CP(C)(=O)c1ccc(C2(C(=O)O)CC2)cc1 2265384880 BPEOJMCWCQZGOB-UHFFFAOYSA-N 238.223 2.051 0 30 BEAC CCOc1cc(N)c(Cl)cc1C(=O)OC 34402796 NMGBXFJAUQDKNO-UHFFFAOYSA-N 229.663 2.108 0 30 BEAC CCn1cc/c(=N/C(C)=O)c2ccccc21 39101750 IGQZIVQDPUVKHS-OWBHPGMISA-N 214.268 2.108 0 30 BEAC N[C@H]1CCc2ncc(C(F)(F)F)cc21 82913482 QGWPRRAQSVVDOI-ZETCQYMHSA-N 202.179 2.046 0 30 BEAC CC(C)(C)OC(=O)CCc1ccc(CN)cc1 199617078 BVKODMCKWPKPCA-UHFFFAOYSA-N 235.327 2.420 0 30 BEAC O=C(O)[C@H]1CCC[C@@H](c2ccccc2)O1 306407179 JJGNIXHMFWWAKF-WDEREUQCSA-N 206.241 2.381 0 30 BEAC Cc1noc(C)c1-c1nc(-c2ccccn2)no1 114092 VDBLSAVEWXXFPW-UHFFFAOYSA-N 242.238 2.403 0 30 BEAC CCc1ccc2cc(C(=O)O)c(C(=O)O)nc2c1 32099622 GPRLFEBBHDQRCB-UHFFFAOYSA-N 245.234 2.194 0 30 BEAC O=Cc1cnc(-c2cc(F)ccc2F)nc1 35323357 BLIWAPLCNXQNSO-UHFFFAOYSA-N 220.178 2.234 0 30 BEAC in-vitro O=C(O)c1cncc(C(F)(F)F)c1Cl 95763732 OOGYKVXUPVYMSQ-UHFFFAOYSA-N 225.553 2.452 0 30 BEAC Cc1ccc(C(F)(F)F)nc1C(=O)O 238447181 RQNQITWZEDOKNV-UHFFFAOYSA-N 205.135 2.107 0 30 BEAC CC(C)(C)OC(=O)N1CC2(CCC2)C[C@@H]1CN 687809185 GHJCLGPXHYCULX-SNVBAGLBSA-N 240.347 2.125 0 30 BEAC CNc1ccc2cc(S(=O)(=O)O)ccc2c1 5141010 UEGNVVBWZPHEQQ-UHFFFAOYSA-N 237.280 2.128 0 30 BEAC CCOP(=O)(OCC)c1ccn(C(C)=O)c1 15446275 QHMVQODTMHSJBN-UHFFFAOYSA-N 245.215 2.040 0 30 BEAC CCCCN1CC(=O)Nc2ccccc21 33867720 USXZKHNVHVJGJZ-UHFFFAOYSA-N 204.273 2.245 0 30 BEAC CC(C)[C@@H](O)c1ccc(CC(=O)O)cc1 39120406 ONTFJKQWVUFPGO-GFCCVEGCSA-N 208.257 2.003 0 30 BEAC N[C@H](Cc1ccccc1)Cc1cccnc1 53130672 AJJUHFIHXUQHMV-CQSZACIVSA-N 212.296 2.194 0 30 BEAC COC(=O)C[C@H]1CCO[C@H](C(C)C)C1 95348024 YILSUMKNIUBHHY-UWVGGRQHSA-N 200.278 2.001 0 30 BEAC COc1ccc2c(c1)c(O)cn2C(C)=O 145244838 PZXOWEYOGUQVBZ-UHFFFAOYSA-N 205.213 2.016 0 30 BEAC in-vitro CC(C)(C)OC(=O)NCC(=O)Cc1ccccc1 149048784 SEAKODXEERHRIJ-UHFFFAOYSA-N 249.310 2.323 0 30 BEAC O=C(O)C(F)(F)c1cnc(C(F)(F)F)s1 236427471 LEBSBWYGHZTJLH-UHFFFAOYSA-N 247.144 2.338 0 30 BEAC CC[C@H](OC(C)=O)C(=O)c1ccccc1 34108095 NFLPTNUUNCIKKF-NSHDSACASA-N 206.241 2.211 0 30 BEAC CCCOc1cnc(Br)nc1 258214875 WVDKBWREYHIHMP-UHFFFAOYSA-N 217.066 2.028 0 30 BEAC Cc1n[nH]c2c(NCc3ccccc3)ncnc12 4353393 CHNKRFXXARCZRN-UHFFFAOYSA-N 239.282 2.273 0 30 BEAC Cc1ccc(-c2ccc(C(N)=O)cn2)cc1 89224906 FOBZQOLRURGKQM-UHFFFAOYSA-N 212.252 2.156 0 30 BEAC CCOC(=O)[C@H](C(=O)Cl)c1ccccc1 138210890 HDXYSWZTJWCYFW-VIFPVBQESA-N 226.659 2.099 0 30 BEAC Cc1cc(C)c(CCCC(=O)O)cc1O 238538956 RQDCBDRAMGKFTH-UHFFFAOYSA-N 208.257 2.416 0 30 BEAC FC(F)c1nccc(Br)n1 150179282 GZRIPLFPDDWLME-UHFFFAOYSA-N 208.993 2.177 0 30 BEAC O=C1CSc2cc3scnc3cc2N1 45238033 QDIVPLWCIVCYKS-UHFFFAOYSA-N 222.294 2.341 0 30 BEAC C[C@@H](COc1ccc(Cl)cc1)C(=O)O 6020899 QBMLNKIBTFLJQG-ZETCQYMHSA-N 214.648 2.440 0 30 BEAC CC(C)CCNC[C@@H]1COc2ccccc2O1 4214115 DBXSOFDAWXSIJV-GFCCVEGCSA-N 235.327 2.462 0 30 BEAC in-man Nc1ccccc1N[C@H](CO)Cc1ccccc1 63217927 CKIJJUWZUOYYAR-ZDUSSCGKSA-N 242.322 2.284 0 30 BEAC S=c1[nH]nnn1[C@@H]1C[C@H]2C[C@H]1[C@H]1C=CC[C@@H]21 100299041 APQPRBZCCNHYTF-SQQIUAQRSA-N 234.328 2.109 0 30 BEAC CCCCCN(C)C[C@@H](O)c1cccc(N)c1 1851778 MXUBNUMMIHAQBF-CQSZACIVSA-N 236.359 2.424 0 30 BEAC CCOc1ccccc1OC(=O)N(C)C 39099625 DRXANUKCNUTWSJ-UHFFFAOYSA-N 209.245 2.146 0 30 BEAC CCOC(=O)C(F)(F)Oc1ccc(F)cc1 84193547 MOCXDOZCWMKGRG-UHFFFAOYSA-N 234.173 2.360 0 30 BEAC Cc1ccn2c(Br)ncc2c1 107389742 JYTSHTYUTMGFMU-UHFFFAOYSA-N 211.062 2.405 0 30 BEAC COc1ccc(CC2CCN(C(N)=O)CC2)cc1 195463391 XMXMLUYGIKRBTJ-UHFFFAOYSA-N 248.326 2.028 0 30 BEAC C[C@H]1NC(=O)c2ccc(Br)cc21 221775148 RDJDCBIHMNWYEC-RXMQYKEDSA-N 226.073 2.254 0 30 BEAC CC(C)(C)OC(=O)NC[C@H]1NCCC12CCC2 1535054669 FABAUHBYEZTXPP-SNVBAGLBSA-N 240.347 2.043 0 30 BEAC Cc1nn(-c2ccccc2)c(N(C)C)c1C=O 1509480 NJDSPCHTYKBODV-UHFFFAOYSA-N 229.283 2.059 0 30 BEAC CCOC(=O)c1c(Cl)c(CC)nn1CC 14985139 HULCKBIOFNFQNF-UHFFFAOYSA-N 230.695 2.296 0 30 BEAC Brc1ccccc1C[C@H]1CO1 196283199 JZRUNNCPHWHUKL-QMMMGPOBSA-N 213.074 2.390 0 30 BEAC Brc1ccc(O[C@H]2CCOC2)nc1 72193051 MUUIXVLMQRHUBN-QMMMGPOBSA-N 244.088 2.012 0 30 BEAC COC(OC)c1ccnn1-c1ccccc1F 72190433 AHYJAQRSSYPNRT-UHFFFAOYSA-N 236.246 2.303 0 30 BEAC O=c1osc2c(=S)cccc(O)c12 5784299 DQGOJKVIMNNGAH-UHFFFAOYSA-N 212.251 2.290 0 30 BEAC biogenic,in-vitro CCN(CC)CCNc1cc(C)ccn1 31572150 AUNNWVPUSFLSFD-UHFFFAOYSA-N 207.321 2.144 0 30 BEAC C[C@@H]1Cc2c(Br)cccc2CN1 70821221 ZKJLUSRXAJZBBM-SSDOTTSWSA-N 226.117 2.483 0 30 BEAC COC(=O)CCSCc1ccccc1OC 95347941 OAIIBSHZBZIRKV-UHFFFAOYSA-N 240.324 2.492 0 30 BEAC CC[C@H](C)OC(=O)/C=C\C(=O)O[C@@H](C)CC 100061531 MWJNGKOBSUBRNM-OWSSEVEYSA-N 228.288 2.226 0 30 BEAC Nc1ccc(C(F)(F)F)c(CC2COC2)c1 238857294 YRLNIKIBRFUFGR-UHFFFAOYSA-N 231.217 2.477 0 30 BEAC CN(C)c1cccc(Br)c1N 299890104 UIIJEKUOYNZBMP-UHFFFAOYSA-N 215.094 2.097 0 30 BEAC CCNc1ncccc1Br 34551108 CXNQFUAUZFXPPB-UHFFFAOYSA-N 201.067 2.276 0 30 BEAC in-vitro CC(=O)Oc1ccc(CC(=O)C(F)(F)F)cc1 197166509 QDXXIBNPNRKYKG-UHFFFAOYSA-N 246.184 2.286 0 30 BEAC O=C(N[C@@H]1CC[C@@H](CO)C1)OCc1ccccc1 221424854 FDKXYQLCKKQFKQ-CHWSQXEVSA-N 249.310 2.074 0 30 BEAC CN(C)c1ccnc(C(=O)OC(C)(C)C)c1 390822128 HMZPQQZUNPZVQT-UHFFFAOYSA-N 222.288 2.103 0 30 BEAC C1=C[C@]2(CCCNC2)Oc2ccccc21 675050657 GKIZVAHZSDVYEW-ZDUSSCGKSA-N 201.269 2.214 0 30 BEAC Cc1ccc2nc([S@](=O)O)sc2c1 950697788 FSQDEQGQMZRRTC-UHFFFAOYSA-N 213.283 2.185 0 30 BEAC CC(=O)c1cc(O)cc(Br)c1 84480935 VYINGHXDONEGGB-UHFFFAOYSA-N 215.046 2.357 0 30 BEAC O=C(O)[C@@H](Cc1ccc(O)cc1)C(F)(F)F 258426170 GTQFVTJKKODBQR-MRVPVSSYSA-N 234.173 2.198 0 30 BEAC Cc1noc(COc2ccccc2)c1C(=O)O 126803 CCOLRBBJEBHMGA-UHFFFAOYSA-N 233.223 2.260 0 30 BEAC O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)[C@H]2[C@@H]1[C@@H]1C=C[C@H]2C1 18084826 ZCJHLBHJGLCVRU-WBRCCVPBSA-N 240.302 2.015 0 30 BEAC CC(=O)Nc1c(C)c(C)cc2[nH]cnc12 45808982 LWPCXAPRFTUNLN-UHFFFAOYSA-N 203.245 2.138 0 30 BEAC CC(=O)c1cnc(-c2ccccn2)nc1C 54962464 ZJOGSKREYIFGQR-UHFFFAOYSA-N 213.240 2.050 0 30 BEAC O=S(=O)(c1ccccc1F)C(F)(F)Cl 117639404 VPNVIICBRVNXKW-UHFFFAOYSA-N 244.621 2.389 0 30 BEAC CN(C)C(=O)COc1ccc2ccccc2c1 136389 MXRFIADLBOWKIR-UHFFFAOYSA-N 229.279 2.307 0 30 BEAC C[C@H]1CCC[C@@H]1NCCc1ccccn1 70830013 ASOYTFCDGIFTKN-AAEUAGOBSA-N 204.317 2.402 0 30 BEAC C[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](C)CO1 74834973 WPYBUGPTAGJIKY-VXGBXAGGSA-N 249.310 2.432 0 30 BEAC CN1CCNc2ccc(Br)cc21 76936269 AQBNWIOESLEWRM-UHFFFAOYSA-N 227.105 2.311 0 30 BEAC in-vitro COC(=O)c1c(Cl)cc(N)cc1Cl 91675713 KBMZQFQCPXVGJR-UHFFFAOYSA-N 220.055 2.362 0 30 BEAC O[C@@H](COCc1ccccc1)C(F)(F)F 21999439 ZYMILHUZYNRDRY-VIFPVBQESA-N 220.190 2.126 0 30 BEAC in-vitro CC[C@H](CC[C@H]1CCCO1)OC(C)=O 39366104 QIVAMLXUNDMINC-GHMZBOCLSA-N 200.278 2.287 0 30 BEAC N[C@@H]1CCc2ncc(C(F)(F)F)cc21 82913481 QGWPRRAQSVVDOI-SSDOTTSWSA-N 202.179 2.046 0 30 BEAC CN(C)CCOC(=O)c1ccc(N=[N+]=[N-])cc1 33607835 PQKIJCOGSCWWMN-UHFFFAOYSA-N 234.259 2.347 0 30 BEAC CNc1c(C)cc(Br)cc1N 98179020 IFVXMERCSSRDSV-UHFFFAOYSA-N 215.094 2.381 0 30 BEAC O=C1CC2(CCNCC2)C[C@@H](c2ccccc2)N1 725383696 OXLNFIKCYPMECT-ZDUSSCGKSA-N 244.338 2.008 0 30 BEAC Cc1onc(-c2ccsc2)c1C(=O)O 20444590 KLYDFTREBKXCJI-UHFFFAOYSA-N 209.226 2.410 0 30 BEAC COc1cc(OC)c2c(c1)O[C@H]1OC=C[C@@H]21 39149979 KEFXQTPQVMBKRL-QPUJVOFHSA-N 220.224 2.050 0 30 BEAC O=C(O)c1cc(C(=O)C(F)(F)F)ccc1F 75855070 NOAIHQGBPNCCFI-UHFFFAOYSA-N 236.120 2.269 0 30 BEAC Cc1cccc([C@H](N)C(=O)OC(C)(C)C)c1 685939415 XFZIGNDYHHYZAQ-NSHDSACASA-N 221.300 2.337 0 30 BEAC CC(C)c1ccc(NCN2C(=O)CCC2=O)cc1 138602 SNKFHDDGOIMJHZ-UHFFFAOYSA-N 246.310 2.328 0 30 BEAC COC(=O)c1nc2ccc(Cl)cc2n1C 98210135 IMBXNGMHEHVMAH-UHFFFAOYSA-N 224.647 2.013 0 30 BEAC in-vitro COC(=O)Cc1ccnc2c(F)cccc12 261247061 DYQCISQGIQVYHS-UHFFFAOYSA-N 219.215 2.089 0 30 BEAC COc1ccc2c(C)c(C)c(=O)oc2c1O 39098300 FNAUDGFPYJGAIT-UHFFFAOYSA-N 220.224 2.124 0 30 BEAC CC(C)(C)OC(=O)Nc1c[nH]c(C(=O)O)c1 199784671 KMOYKLACCMUMNB-UHFFFAOYSA-N 226.232 2.060 0 30 BEAC C[C@H](CC1CCNCC1)NC(=O)OC(C)(C)C 215863986 XTZAGVVOHBMUFG-SNVBAGLBSA-N 242.363 2.289 0 30 BEAC N[C@H]1CCc2cc3c(cc2C1)CCCC3 45817187 HMHBKCRUIWPNDF-AWEZNQCLSA-N 201.313 2.381 0 30 BEAC CCC[C@H]1CN(Cc2ccccc2)CCN1 72284322 BAMYGGQXKJSJMT-AWEZNQCLSA-N 218.344 2.261 0 30 BEAC Nc1cccc(NC(=O)c2ccccc2O)c1 72822 NIVASJPUHRPIBF-UHFFFAOYSA-N 228.251 2.227 0 30 BEAC CCOc1ncnc2cc(OC)c(OC)cc12 116818 YXMJHHGPKVWXJH-UHFFFAOYSA-N 234.255 2.046 0 30 BEAC Cc1cc(Br)ccc1C(=O)N(C)C 48314071 VGPLBVZVZCUJPW-UHFFFAOYSA-N 242.116 2.459 0 30 BEAC Fc1ccc(CNC2=NCCS2)cc1 103924 HGIVJZCSJIFAPI-UHFFFAOYSA-N 210.277 2.018 0 30 BEAC CC(C)(C)OC(=O)NCC[C@@H]1CCC(=O)C1 1554713959 RCJJUXLHMUNASC-VIFPVBQESA-N 227.304 2.270 0 30 BEAC N[C@@H]1CCCc2c1cnn2-c1ccccc1F 82826834 HSWNJHBLQQJBQU-LLVKDONJSA-N 231.274 2.348 0 30 BEAC CCC(CC)Nc1nc(CC(=O)O)cs1 87665136 CWNDTJZJUXOQSR-UHFFFAOYSA-N 228.317 2.371 0 30 BEAC COC(=O)CCNc1ccc(Cl)c(OC)c1 232200509 MGJHXQIAHLKAOD-UHFFFAOYSA-N 243.690 2.324 0 30 BEAC CC(C)(C)OC(=O)N1CCCC[C@H]1C1(N)CC1 217123177 HWGVDNZBGGUGRG-JTQLQIEISA-N 240.347 2.267 0 30 BEAC O[C@H]1CCc2c(OCC3CC3)cccc21 62800766 XHTOWGIAEQBHBP-LBPRGKRZSA-N 204.269 2.455 0 30 BEAC in-vitro CC(=O)[C@@H]1CCCN(c2cccc(F)c2)C1=O 1535191170 QXPSEZFXHXQLSA-LBPRGKRZSA-N 235.258 2.158 0 30 BEAC OCc1cc(OCc2ccccc2)ccn1 39019073 YMFDHAOBUOVUNL-UHFFFAOYSA-N 215.252 2.153 0 30 BEAC CC(F)(F)c1ncc(Br)[nH]1 215537970 IZXDHIKORUPHIG-UHFFFAOYSA-N 211.009 2.284 0 30 BEAC C[C@H]1CO[C@@H](C(Cl)(Cl)Cl)O1 2037919 YNEGMVUIENQSCP-IUYQGCFVSA-N 205.468 2.118 0 30 BEAC C[C@H]1COCCN1Cc1ccccc1F 46773894 DELPCRJDHVFEEI-JTQLQIEISA-N 209.264 2.046 0 30 BEAC Cc1ccc(C(=O)c2cccc(C=O)n2)cc1 33611508 YTAHFGFCIMJWOR-UHFFFAOYSA-N 225.247 2.434 0 30 BEAC C[C@@H]1CCCN(CCN2CCC[C@@H](C)C2)C1 31360972 YAFHICXFCISWPA-ZIAGYGMSSA-N 224.392 2.450 0 30 BEAC CC(=O)Nc1cccc(C(=O)[C@H](C)NC(C)C)c1 33638438 CIYUJYPWSOZEMA-JTQLQIEISA-N 248.326 2.214 0 30 BEAC CCOC(=O)CC[C@@H](O)c1ccccc1 14503179 JUIBZVQXJULPCN-LLVKDONJSA-N 208.257 2.063 0 30 BEAC c1ccc2cc(CN3C[C@H]4C[C@@H]3CN4)ccc2c1 19796125 MUILKDXYEHGAER-HZPDHXFCSA-N 238.334 2.386 0 30 BEAC COc1cc(C=O)c2ccc(F)c(F)c2n1 67172058 AVYNCMGIUSPNEN-UHFFFAOYSA-N 223.178 2.334 0 30 BEAC O=C(O)C[C@H]1CC2(CCNCC2)c2ccccc21 107272185 ISFPDIWMWZCMTA-NSHDSACASA-N 245.322 2.270 0 30 BEAC Cc1c(Br)ccc2ncnc(O)c12 144942321 GELSPYAXWZQVJD-UHFFFAOYSA-N 239.072 2.406 0 30 BEAC Cc1ccccc1-n1ccc([C@@H](C)N)n1 709934115 JTCPYPIUHYKRSL-SNVBAGLBSA-N 201.273 2.200 0 30 BEAC O=C(O)c1cc(Cl)ncc1OCC(F)F 950757497 KVWINZXZJYQQSK-UHFFFAOYSA-N 237.589 2.077 0 30 BEAC C[C@@H]1C[C@@H](CCN)CCN1C(=O)OC(C)(C)C 211603501 SEDVWISXOJNMEA-MNOVXSKESA-N 242.363 2.371 0 30 BEAC Cc1ccc(-n2nc3ccc(N)nc3n2)cc1C 6071223 QXPMCNRWQKGBQJ-UHFFFAOYSA-N 239.282 2.015 0 30 BEAC NC[C@@H](CC(=O)O)c1ccc(C2CC2)cc1 87014100 HBOPYVWRMYBFKO-GFCCVEGCSA-N 219.284 2.081 0 30 BEAC Cn1c(C(=O)O)ccc1C(=O)c1ccccc1F 220858855 JWAUKFCWSMEHKO-UHFFFAOYSA-N 247.225 2.093 0 30 BEAC CCC(=O)[C@@H]1CCCN(c2ccccc2)C1=O 1535191140 JOSIKHOZAKKEGD-LBPRGKRZSA-N 231.295 2.409 0 30 BEAC Oc1nn(-c2ccccc2)c2nc(Cl)cnc12 2265369650 YOFYFUGKAYYXHS-UHFFFAOYSA-N 246.657 2.175 0 30 BEAC COC(=O)c1cnc2c(Cl)nccc2c1 238417750 MPUZYBRGVLKUNP-UHFFFAOYSA-N 222.631 2.070 0 30 BEAC Cn1ncc2c(Cl)[nH]c3nccc-3c21 953060497 VIWKRYLSOUAKQT-UHFFFAOYSA-N 206.636 2.055 0 30 BEAC O=C1NC(=O)C(=Cc2c(F)cccc2F)S1 2265233864 KSUQQPMAKGYQEG-UHFFFAOYSA-N 241.218 2.289 0 30 BEAC C[C@@H]([C@@H]1COc2ccccc2O1)N1CCCC1 1843855 KAXULGXUSBBIMN-FZMZJTMJSA-N 233.311 2.311 0 30 BEAC CCOc1ccc([C@H](C)c2c[nH]cn2)nc1 34050020 QEKPWAOPMKAEJC-VIFPVBQESA-N 217.272 2.355 0 30 BEAC Cc1cc(Br)cc(C)c1C(N)=O 87493505 XVYIGNNYCQHLJI-UHFFFAOYSA-N 228.089 2.165 0 30 BEAC CCOC(=O)C[C@@H](N)C1CCC(F)(F)CC1 725272230 IZDPVDFWEFOMOC-SECBINFHSA-N 235.274 2.092 0 30 BEAC CC(=O)c1cc(Br)sc1N 725328834 WCYXZEBHQSKQSS-UHFFFAOYSA-N 220.091 2.295 0 30 BEAC O=[S@](O)c1ccc(C2CC2)cc1F 958719505 FIGYWTJUHMPKRY-UHFFFAOYSA-N 200.234 2.284 0 30 BEAC Cc1ccc2c(Br)cnn2c1 238514153 QUQBHRPPPWMKIC-UHFFFAOYSA-N 211.062 2.405 0 30 BEAC CN(C)C[C@@H]1CCCC[C@]1(O)c1cccc(O)c1 5958019 UWJUQVWARXYRCG-ZFWWWQNUSA-N 249.354 2.332 0 30 BEAC biogenic,world O=C(O)c1nc(-c2ccc(Cl)cc2)no1 20269061 NRVQSRYGSQYPAG-UHFFFAOYSA-N 224.603 2.088 0 30 BEAC CCCCN1C[C@H](C)[C@H](OC(C)=O)C[C@@H]1C 39110978 PZKYXLLMFSIYDV-GMXVVIOVSA-N 227.348 2.449 0 30 BEAC CC(=O)c1ccc(OC(F)(F)F)cc1N 40441632 UFFMJWAFMDSQPN-UHFFFAOYSA-N 219.162 2.370 0 30 BEAC COc1ccc2c(c1)[C@@H](O)C[C@@H](C(F)F)O2 43464922 ARCRCIFIKXIOMZ-WPRPVWTQSA-N 230.210 2.145 0 30 BEAC CNc1cccc(Br)c1OC 84482361 XNWWVRXMSRFYMY-UHFFFAOYSA-N 216.078 2.499 0 30 BEAC N[C@@H]1COc2cc(Cl)c(Cl)cc21 95636787 QAGCOCSNEMLYJA-SSDOTTSWSA-N 204.056 2.386 0 30 BEAC Clc1cccc2c1cc1n2CCNC1 82378383 SEKFVHALSLGJKW-UHFFFAOYSA-N 206.676 2.398 0 30 BEAC in-vitro O=C(O)[C@@]1(c2ccccc2)CCCCO1 143807791 RPDIVAZCAWHTTK-LBPRGKRZSA-N 206.241 2.167 0 30 BEAC CCOCC1(COCC)CCC(=O)CC1 222392215 ZMHUYFGZHNSXJD-UHFFFAOYSA-N 214.305 2.189 0 30 BEAC COC(=O)Cc1ccc(F)c(Cl)c1F 238391726 KIHPYNWMRVJENZ-UHFFFAOYSA-N 220.602 2.334 0 30 BEAC COc1cc2c(cc1Br)[C@H](N)CC2 238392569 GXKHWXDVLJWSSZ-SECBINFHSA-N 242.116 2.404 0 30 BEAC CNc1ccccc1C(=O)NC(C)(C)C 145179 CMFDYBOVKDMTDV-UHFFFAOYSA-N 206.289 2.257 0 30 BEAC COC(=O)COc1cccc(C(F)(F)F)c1 20297593 VILMHFFZWUNMEO-UHFFFAOYSA-N 234.173 2.257 0 30 BEAC O=C(O)c1ccc([S@](=O)C(F)(F)F)cc1 37923286 AAWWFZARYNKTIC-OAHLLOKOSA-N 238.186 2.012 0 30 BEAC Brc1cc2c(o1)CCCNC2 84307454 OZFQEKNJQJEZKK-UHFFFAOYSA-N 216.078 2.078 0 30 BEAC C=CS(=O)(=O)C(=C)c1ccc(OC)cc1 96332310 UCNIBZJNZGKSIX-UHFFFAOYSA-N 224.281 2.224 0 30 BEAC O=C1CS[C@H](c2ccncc2)N1CC1CC1 101043 RBPZSZSKFDJAAG-GFCCVEGCSA-N 234.324 2.066 0 30 BEAC O=C(O)Cc1cc(C(F)(F)F)cc(Cl)n1 95767079 QZNXKDWZBWJDBV-UHFFFAOYSA-N 239.580 2.381 0 30 BEAC in-vitro COC1(OC)[C@H]2C[C@H]1CN(Cc1ccccc1)C2 253185211 PFUVMOGJVMQKEM-KBPBESRZSA-N 247.338 2.127 0 30 BEAC CC1(C)O[C@H]2Cc3cccc(O)c3C[C@@H]2O1 5762622 VHQZRMCDYDICCK-RYUDHWBXSA-N 220.268 2.011 0 30 BEAC in-vitro O=C(Oc1ccc(O)cc1)c1ccccc1O 39439098 UFNKAYBBJKLRIW-UHFFFAOYSA-N 230.219 2.317 0 30 BEAC CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CC(O)C2 114828762 GGTYYYZFCWRSSG-UWVGGRQHSA-N 241.331 2.299 0 30 BEAC COC(=O)[C@@H](C)c1cn(C)c2ccccc12 38271998 NVJDFTIOQRVZSQ-VIFPVBQESA-N 217.268 2.455 0 30 BEAC NC1CC(c2ccc(OC(F)F)cc2)C1 50225009 ZLMQVOYMGOGPGM-UHFFFAOYSA-N 213.227 2.493 0 30 BEAC CO[C@](C)(CN)c1ccc(F)c(Cl)c1 83264146 GVWVDIBMVAUKOQ-SNVBAGLBSA-N 217.671 2.299 0 30 BEAC COC(=O)c1c(C)ccc(Br)c1N 134735557 ZAHGPFBMYZRNTA-UHFFFAOYSA-N 244.088 2.126 0 30 BEAC CCC(CC)(CN)C(=O)OC(C)(C)C 137701412 VMCLIKGCSSRTJK-UHFFFAOYSA-N 201.310 2.093 0 30 BEAC in-vitro COc1ccc2c(c1)[C@H](C(F)F)NCC2 220187038 NOLNWFJSMDMHRJ-SNVBAGLBSA-N 213.227 2.147 0 30 BEAC O[C@@H]1CCc2ccc(OC(F)F)cc21 238668487 IQMUSXBHYFARHR-SECBINFHSA-N 200.184 2.268 0 30 BEAC Cc1ccc(CS[C@H]2NC[C@@H](C)N2)cc1C 19324352 KNDMIDHJXJKVOC-YPMHNXCESA-N 236.384 2.402 0 30 BEAC CN(C)C(=S)Nc1ccc(F)cc1F 89317 PSWHKZXMZXDARK-UHFFFAOYSA-N 216.256 2.223 0 30 BEAC CCCCOC(=O)C=CC(=O)OCCCC 12405193 JBSLOWBPDRZSMB-UHFFFAOYSA-N 228.288 2.229 0 30 BEAC biogenic N[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1 20383261 ZKNNBBPJOIBHBO-LURJTMIESA-N 245.109 2.057 0 30 BEAC CCCCC[C@@H](CC(=O)OC)OC(C)=O 32167228 HGSORJXMRKICEG-JTQLQIEISA-N 216.277 2.062 0 30 BEAC CC(=O)Nc1cccc(NC(=S)S)c1 33650304 CPJIPPYGVPGNSR-UHFFFAOYSA-N 226.326 2.272 0 30 BEAC CCCCCC(=O)Cc1cc(O)cc(=O)o1 38192132 GHURLXDGHMZIGJ-UHFFFAOYSA-N 224.256 2.037 0 30 BEAC in-vitro CC(C)(C)OC(=O)c1ccc(F)c(O)c1 141039876 DGFGYLGKUGNYMJ-UHFFFAOYSA-N 212.220 2.487 0 30 BEAC in-vitro C[C@H](c1ccccn1)N(C)[C@H]1CCCCN1 242463738 DILMUIWNBOBMBE-YPMHNXCESA-N 219.332 2.174 0 30 BEAC CCN(C)C(=O)Oc1ccc2c(c1)C(=O)CC2 34638998 DEXRDMVBOUGLGT-UHFFFAOYSA-N 233.267 2.266 0 30 BEAC Nc1c(C(=O)O)sc2nc3ccccc3nc12 39124073 ZTPZWEPWKXMQDI-UHFFFAOYSA-N 245.263 2.125 0 30 BEAC Cc1c(N)cccc1Cc1ccc(N)cc1N 33637491 HDQZYCGWMNCSNJ-UHFFFAOYSA-N 227.311 2.332 0 30 BEAC CN[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 69851527 NXQJSVOBTWNAFS-NWDGAFQWSA-N 209.264 2.265 0 30 BEAC in-vitro O=C(O)C1(c2cccc(Cl)n2)CCC1 75089113 JTUQCPPIQIXLFE-UHFFFAOYSA-N 211.648 2.241 0 30 BEAC Brc1nc2ccncc2s1 75842524 ZEWXPIQOBBIVPE-UHFFFAOYSA-N 215.075 2.454 0 30 BEAC N[C@@H](CCC(=O)O)Cc1ccsc1Cl 312693101 IEEDVGUNUADKKD-ZETCQYMHSA-N 233.720 2.136 0 30 BEAC NC(=O)NC[C@@H]1CCCC[C@@H]1C(F)(F)F 336087352 QIHNRUXCXXMRTI-BQBZGAKWSA-N 224.226 2.023 0 30 BEAC CCc1c(OC)cc(OC)c(C(C)=O)c1O 36439212 WWZQMROPTYIWPH-UHFFFAOYSA-N 224.256 2.174 0 30 BEAC CCOC(=O)C[C@H](N)C1CCCCCC1 84328232 WBJKCQALBSMNTD-NSHDSACASA-N 213.321 2.237 0 30 BEAC Nc1ccc(C2(C(F)(F)F)CC2)cn1 1161695738 WREMDJBKVSOLJL-UHFFFAOYSA-N 202.179 2.258 0 30 BEAC O=C1C[C@H](C(=O)O)c2ccc(Cl)cc21 39220494 XVHIMUVCNJRARP-QMMMGPOBSA-N 210.616 2.095 0 30 BEAC O=C1CCN(Cc2cc3ccccc3[nH]2)CC1 22007609 AKKMCPMYKZVYOF-UHFFFAOYSA-N 228.295 2.333 0 30 BEAC Cc1cccc2c1[C@@H](O)N(CC(C)C)C2=O 39098139 LLWXFNCMIJWRNB-CYBMUJFWSA-N 219.284 2.098 0 30 BEAC CCOC(=N)[C@@H](O)c1cc(C)ccc1OC 39135020 LPPPPTYVIRKQGT-NSHDSACASA-N 223.272 2.051 0 30 BEAC CCOC(=O)[C@H](F)[C@H](C)C(F)(F)F 1535541006 NAAUPNOTJFHXRA-CRCLSJGQSA-N 202.147 2.086 0 30 BEAC CCCc1cc(C(=O)OCC)n(CC)n1 14985160 MVJRWZJSSDYLBG-UHFFFAOYSA-N 210.277 2.032 0 30 BEAC CC(F)(F)c1cccc([S@@](=O)O)c1 205821758 YZYBWEOBEBCVCX-UHFFFAOYSA-N 206.213 2.379 0 30 BEAC CC(=O)OCC1=CC[C@@H](C(C)(C)O)CC1 32210633 GAJGPKMCPGWYGC-LLVKDONJSA-N 212.289 2.047 0 30 BEAC Cc1noc(-c2ccc(N)c(Cl)c2)n1 70622042 HFKOIPBWEHJCQH-UHFFFAOYSA-N 209.636 2.281 0 30 BEAC in-vitro C[C@H](N)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C 334163930 ZJKHJBTXPVRQIP-LPEHRKFASA-N 227.348 2.338 0 30 BEAC CSc1nnnn1-c1c(C)cc(C)cc1C 73411 ZTZQXZZGSIFWNO-UHFFFAOYSA-N 234.328 2.309 0 30 BEAC O=C(O)c1ccc(-c2ccc(O)cn2)cc1 65355786 GVRHFEFBVZLEOD-UHFFFAOYSA-N 215.208 2.152 0 30 BEAC Nc1c2c(nc3cccc(F)c13)OCCC2 110013 BXLXHYPSRHQACO-UHFFFAOYSA-N 218.231 2.281 0 30 BEAC COCc1ccc(I)cc1 21304501 DCQYAEJVEBYSTJ-UHFFFAOYSA-N 248.063 2.438 0 30 BEAC CNC(=O)Oc1cccc2c1CCCC2 31484318 FDHRBCMXYSGNPA-UHFFFAOYSA-N 205.257 2.284 0 30 BEAC C[C@H](O)c1ccc(N2CCOCC2)cc1Cl 70603150 LTKMTPNTPFSSOG-VIFPVBQESA-N 241.718 2.230 0 30 BEAC in-vitro Cc1ccc(Br)cc1CCN 83256216 JBCGCYCMCRVXHQ-UHFFFAOYSA-N 214.106 2.259 0 30 BEAC O=C(O)[C@H]1CCN1[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2 2265291702 VPBLOJFGPORKQA-CYRBOEJBSA-N 235.327 2.114 0 30 BEAC COC(=O)c1scc(C)c1NC(=O)C1CC1 4324089 AWMHQIBMFGFJPX-UHFFFAOYSA-N 239.296 2.192 0 30 BEAC CSc1cccc(N(C)C(N)=S)c1 82163142 DAPXVWQNXCPKEH-UHFFFAOYSA-N 212.343 2.088 0 30 BEAC in-vitro COc1ccc([C@@H]2CNCC[C@H]2C)cc1 85442497 UCCQBWFBKQDRLG-ZWNOBZJWSA-N 205.301 2.408 0 30 BEAC CCSC1=NCN(Cc2cccs2)CN1 166195 GMMFAMPGNOZUML-UHFFFAOYSA-N 241.385 2.177 0 30 BEAC O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]12 12410572 ZCJHLBHJGLCVRU-VLUIMUIKSA-N 240.302 2.015 0 30 BEAC O=C(O)CCNc1cccc(Br)c1 20376615 FYUXTDCAIVEVGD-UHFFFAOYSA-N 244.088 2.336 0 30 BEAC NC(=O)c1cnc2sccc2c1Cl 38302127 QFGBEWMSRBYZQK-UHFFFAOYSA-N 212.661 2.049 0 30 BEAC CC1(C)[C@@H]2CC[C@@]1(C)OC(=O)/C2=C/C#N 39105400 SRYSKNHVJLZGDL-GAVOXZQTSA-N 205.257 2.188 0 30 BEAC CC(C)(C)OC(=O)N1CCC(=O)C[C@H]1C(F)F 306333695 RIJDMPSJVNBKJV-QMMMGPOBSA-N 249.257 2.220 0 30 BEAC CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1[C@@H](O)CC2 306682971 UCOIBMSKZGHCPH-DCAQKATOSA-N 241.331 2.299 0 30 BEAC CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@H]1CC2=O 722617724 QPLFGDVZMUEZKT-IVZWLZJFSA-N 239.315 2.269 0 30 BEAC O=C(O)c1cc(Br)n2ccccc12 84304339 ADDJETIFAAQLPU-UHFFFAOYSA-N 240.056 2.400 0 30 BEAC Fc1ccc(Cc2n[nH]c(Cl)n2)cc1 70584177 RWFVFQCXNSPGOK-UHFFFAOYSA-N 211.627 2.188 0 30 BEAC in-vitro Fc1cccn2ncc(Br)c12 84324713 WUVUOWUFQVWPFA-UHFFFAOYSA-N 215.025 2.236 0 30 BEAC O=Cc1cccc(/C=C/CO[C@H]2CCCCO2)n1 15042254 PBOIXPJOANTEBX-GBXSZLQWSA-N 247.294 2.451 0 30 BEAC COC(=O)N1CCC(=O)c2cc(Cl)ccc21 34306519 CGZVMGXSWAILLE-UHFFFAOYSA-N 239.658 2.499 0 30 BEAC O=C(O)c1ccc2cc(Br)ccn12 84304231 YRKLMDKKAHRPQB-UHFFFAOYSA-N 240.056 2.400 0 30 BEAC CCCCNC(=O)N(C)[C@H]1C[C@H]2C=C[C@H]1C2 100239638 FXSHPYPGPUDCLF-SRVKXCTJSA-N 222.332 2.393 0 30 BEAC O=C(O)[C@@H]1[C@H]2C[C@@]1(c1cccc(Cl)c1)CO2 757546029 SHXOYRITGFGJGT-SCVCMEIPSA-N 238.670 2.081 0 30 BEAC CC1(C)OCCc2cc(C(=O)O)ccc21 2265384572 UQZHAUFJJLNBAK-UHFFFAOYSA-N 206.241 2.193 0 30 BEAC CC(C)Nc1nccc(C(F)(F)F)n1 66510 SSVFVGRBHSWSPQ-UHFFFAOYSA-N 205.183 2.316 0 30 BEAC COc1cc(CCC(C)=O)cc(OC)c1OC 14817795 DICCJSUMFVUGHA-UHFFFAOYSA-N 238.283 2.234 0 30 BEAC biogenic,in-vitro Cn1c(C(C)(C)C)nc2cc(N)ccc21 52852249 XOQQCDMIPDEXRQ-UHFFFAOYSA-N 203.289 2.453 0 30 BEAC in-vitro COc1cnc(-c2cnccn2)c2[nH]ccc12 89213110 VUZFWWURENSAGY-UHFFFAOYSA-N 226.239 2.029 0 30 BEAC O=C(CC=NO)Nc1ccc(Cl)cc1 382384986 FBCWOYVABPCLIL-UHFFFAOYSA-N 212.636 2.129 0 30 BEAC Ic1cnoc1C1CC1 2265378635 VCRHJWZCELVXNU-UHFFFAOYSA-N 235.024 2.157 0 30 BEAC CC(C)c1ccc([C@H]2CNC(=O)C2)cc1 57491754 NABDJDULMZJDJD-GFCCVEGCSA-N 203.285 2.414 0 30 BEAC CC(C)(Oc1c(F)cccc1F)C(=O)O 84929110 VQSHVFXSIPANAA-UHFFFAOYSA-N 216.183 2.207 0 30 BEAC CC(C)c1ccc([C@@]2(C)OC[C@@H](CO)O2)cc1 2001294 LPYIJRGDHWYCLS-KGLIPLIRSA-N 236.311 2.390 0 30 BEAC Sc1nnc(SCC2CC2)s1 128840 RRISNQKVUMJONS-UHFFFAOYSA-N 204.345 2.329 0 30 BEAC COC(=O)c1ccc2c(Cl)n[nH]c2c1 31776822 NVMLKYWQRQHYLQ-UHFFFAOYSA-N 210.620 2.003 0 30 BEAC in-vitro CCOC(=O)[C@H]1CCC(=O)C[C@H]1C(F)(F)F 685945678 ASWATKRNDNOHEP-JGVFFNPUSA-N 238.205 2.097 0 30 BEAC C=Cc1cc2c(c(C(=O)OC)c1)CCC2=O 503852976 PIMMSJBZYZFBIG-UHFFFAOYSA-N 216.236 2.245 0 30 BEAC O=C(c1ccccc1)c1ncccc1F 19615635 BWMSHCJLNRVFIJ-UHFFFAOYSA-N 201.200 2.452 0 30 BEAC CNC(=O)Oc1cc(C)c(CN(C)C)c(C)c1 2033943 PBJQYLSKNASHPU-UHFFFAOYSA-N 236.315 2.083 0 30 BEAC COC(=O)c1cc(C(C)(C)C)ccc1N 37475295 HWVVFKKPQMYOIX-UHFFFAOYSA-N 207.273 2.353 0 30 BEAC N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1 37240601 DPMBAWPRMCHMCH-MRVPVSSYSA-N 230.233 2.243 0 30 BEAC in-vitro C[C@H]1CC(=O)[C@@H](C)N(Cc2ccccc2)C1 68592983 FABAJOBMSRCVJN-NWDGAFQWSA-N 217.312 2.486 0 30 BEAC CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1C(=O)O 84304368 QQBDACXOPPCASC-IUCAKERBSA-N 243.303 2.012 0 30 BEAC Oc1ccc2c(c1)CCN[C@H]2c1ccccn1 3703150 WHQICCPCPKXDJU-CQSZACIVSA-N 226.279 2.022 0 30 BEAC CC(=O)Nc1ccccc1Nn1cccc1 22000641 FNSKMEJBZOKICD-UHFFFAOYSA-N 215.256 2.322 0 30 BEAC CCOc1ccccc1-c1cc(C(=O)O)no1 66113296 XCOCESBOKNLNRA-UHFFFAOYSA-N 233.223 2.439 0 30 BEAC O=C(O)c1cc2cc(Br)cnc2o1 211689693 SWQKJDVPDCKZEO-UHFFFAOYSA-N 242.028 2.289 0 30 BEAC Cn1ncc2nc(Cl)cc(Cl)c21 238855828 SVNAAFMIZCAQSZ-UHFFFAOYSA-N 202.044 2.275 0 30 BEAC in-vitro O=C1Nc2ccccc2Oc2nnc(Cl)cc21 32038355 YFVKUNSDRSBJQC-UHFFFAOYSA-N 247.641 2.488 0 30 BEAC OCc1cn(-c2ccc(Cl)cc2Cl)nn1 52220963 AJCAHVICDDRILC-UHFFFAOYSA-N 244.081 2.066 0 30 BEAC in-vitro C[C@@]1(c2cncc(Br)c2)CCO1 1535543909 ZBRQKICYIXFFCB-VIFPVBQESA-N 228.089 2.480 0 30 BEAC CC(C)(C)OC(=O)N1CCC(=CCCN)CC1 98090099 KOYSZFLQFIIMDL-UHFFFAOYSA-N 240.347 2.293 0 30 BEAC CC1(C)C[C@H](NCc2ccccc2)CO1 307490475 GSXDTXXZNSUHDR-LBPRGKRZSA-N 205.301 2.344 0 30 BEAC O=C(O)CNc1ccc(Cl)cc1Cl 1604851 LTMPEYZFRFPAMX-UHFFFAOYSA-N 220.055 2.490 0 30 BEAC Cn1nc(CN2CCCCC2)c2c1NCCCC2 3697795 BYDDEHLWKZAAQE-UHFFFAOYSA-N 248.374 2.154 0 30 BEAC Nc1ccccc1N[C@@H](CO)Cc1ccccc1 63217928 CKIJJUWZUOYYAR-CYBMUJFWSA-N 242.322 2.284 0 30 BEAC CC(C)c1cccc(-n2cnc(C(=O)O)n2)c1 91356008 QWUHADQCUIKMRA-UHFFFAOYSA-N 231.255 2.089 0 30 BEAC in-vitro COc1cc(C(F)(F)F)nc(Cl)n1 98096626 CBJNQGZYEYYRMP-UHFFFAOYSA-N 212.558 2.157 0 30 BEAC in-vitro CCOC(=O)C[C@H]1CCC[C@@H](OC)C1 98210077 PZGQPIICZWXACX-VHSXEESVSA-N 200.278 2.145 0 30 BEAC in-vitro CN(C)C(=S)Nc1c(F)cc(F)cc1F 139096 NEYQFKRXTRJJKG-UHFFFAOYSA-N 234.246 2.362 0 30 BEAC O[C@@H]1C=Cc2ccc3ccccc3c2[C@H]1O 6118294 FOTICWSJABVKPW-OCCSQVGLSA-N 212.248 2.261 0 30 BEAC biogenic,in-vitro CC(=O)c1cc2c(O)cc(O)cc2cc1O 39098035 MMQQMZPMKDZDTQ-UHFFFAOYSA-N 218.208 2.159 0 30 BEAC O=Cc1cscc1I 39235137 ZTJJBPHLJYDWRS-UHFFFAOYSA-N 238.049 2.165 0 30 BEAC CC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)O1 111354384 VCJKASZYBALQRT-ZJUUUORDSA-N 229.320 2.421 0 30 BEAC CCn1cnnc1CCc1ccccc1 136168352 UIVHBUCEEFXWCN-UHFFFAOYSA-N 201.273 2.083 0 30 BEAC c1cncc([C@@H]2Cc3ccccc3CN2)c1 238046694 LZCPECAMPSXIAV-AWEZNQCLSA-N 210.280 2.469 0 30 BEAC COC(=O)c1ccc(F)c2ncccc12 2265384919 HIUHYZFKGAIZLS-UHFFFAOYSA-N 205.188 2.161 0 30 BEAC Cc1cc(C)c2[nH]cc(CC(=O)O)c2c1 1848243 XJCBMZMISBSKFP-UHFFFAOYSA-N 203.241 2.412 0 30 BEAC CC(C)(N)CCCNC(=O)OC(C)(C)C 219501244 OLMOMQPMUBCXAM-UHFFFAOYSA-N 216.325 2.029 0 30 BEAC in-vitro O=C(O)Cc1ccc2cc(CC(=O)O)ccc2c1 34334267 SEWCZUZXZFNNJR-UHFFFAOYSA-N 244.246 2.094 0 30 BEAC COC(=O)Cc1ccc2cc(N)ccc2c1 393640341 AYGAVOOXFRSYOA-UHFFFAOYSA-N 215.252 2.138 0 30 BEAC CC(=O)CCC(=O)Cc1ccccc1C 33605817 XSBXPCJZPZAVJT-UHFFFAOYSA-N 204.269 2.476 0 30 BEAC Cc1nnc(C23CCC(C(=O)O)(CC2)CC3)o1 607716644 QHRBELQRYRPPHT-UHFFFAOYSA-N 236.271 2.055 0 30 BEAC NCCc1c[nH]c2cc(F)c(Cl)cc12 148199858 ZEHJLTYHQJWPNN-UHFFFAOYSA-N 212.655 2.462 0 30 BEAC CO[C@H]1CC2(CCNCC2)Oc2ccccc21 36143768 GQKDHPVSGVBESR-ZDUSSCGKSA-N 233.311 2.279 0 30 BEAC Cc1cccc(C[C@H](N)[C@@H]2CCCO2)c1 83712477 MYJINOUQHVHLNH-STQMWFEESA-N 205.301 2.044 0 30 BEAC C=C(Br)[S@](=O)C(F)(F)F 675049937 BCQVSSNYAIOBHN-VIFPVBQESA-N 223.013 2.121 0 30 BEAC CCN(CC)CCOCn1cnc2ccccc21 1852246 ZUHPCANRBBHPRK-UHFFFAOYSA-N 247.342 2.352 0 30 BEAC C[C@H](Cc1cccc(C(F)(F)F)c1)NCCO 2010953 QAFJMZFAQFGVJS-SECBINFHSA-N 247.260 2.218 0 30 BEAC in-vitro CC(C)[C@H](O)c1ccc(CC(=O)O)cc1 39120405 ONTFJKQWVUFPGO-LBPRGKRZSA-N 208.257 2.003 0 30 BEAC O=C(O)C[C@H]1OCc2cc(Cl)ccc21 141711052 LYPABKILTVLNSU-SECBINFHSA-N 212.632 2.386 0 30 BEAC O=C1CC(c2ccc(Br)cn2)C1 575499232 HMRVJYTWOQYECL-UHFFFAOYSA-N 226.073 2.291 0 30 BEAC Oc1ncnc2c(F)c(Br)ccc12 575533595 VSRFNXOXMWZOCV-UHFFFAOYSA-N 243.035 2.237 0 30 BEAC COc1ccccc1[C@@]1(C)C[C@@H]1C(=O)O 49813402 PDMBEGHTKKCRMG-BXKDBHETSA-N 206.241 2.057 0 30 BEAC in-vitro CCn1cc(NC(C)=O)sc1=S 2577277 CWWWEKDFPDAILY-UHFFFAOYSA-N 202.304 2.257 0 30 BEAC Nc1nc2ccccc2n1C1CCC(O)CC1 20586100 IKSPUIKLPBJONA-UHFFFAOYSA-N 231.299 2.095 0 30 BEAC O=C(OCc1ccccc1)N1CC[C@H](F)C1 34496973 DGQYMNWQXVFIBE-NSHDSACASA-N 223.247 2.367 0 30 BEAC COc1cccc(C[C@H](C)CC(=O)O)c1 41217185 TZVBTYAWKKAEOZ-VIFPVBQESA-N 208.257 2.349 0 30 BEAC O=C(O)COc1cc(C(F)(F)F)ccc1F 75880735 VJGURHHSPSKXBD-UHFFFAOYSA-N 238.136 2.308 0 30 BEAC Clc1cc(N2CCCC2)nc(Cl)n1 91363857 ZSRQVXSPXHZOAB-UHFFFAOYSA-N 218.087 2.384 0 30 BEAC in-vitro NC[C@H](CC(=O)O)c1cccc2ccccc12 97430675 BEGWVSISKCDDQP-NSHDSACASA-N 229.279 2.357 0 30 BEAC c1ccc(CCNCCc2ccncc2)cc1 37486087 RYDZIKYBEVGJEF-UHFFFAOYSA-N 226.323 2.456 0 30 BEAC COc1ccc(C(F)(F)F)c2cnc(O)nc12 116727952 YZQDABGEBPLSPZ-UHFFFAOYSA-N 244.172 2.363 0 30 BEAC O=C(O)c1ccc(COC(F)(F)F)cc1 96102632 CTKIRYQDRWETHH-UHFFFAOYSA-N 220.146 2.421 0 30 BEAC in-vitro CC(=O)SCc1ccccc1CCC(=O)O 54962355 GRQZZQZRCLXFHW-UHFFFAOYSA-N 238.308 2.484 0 30 BEAC CN(C(=O)OC(C)(C)C)C1CCOCC1 83502284 CUNMPVMJDYCSJV-UHFFFAOYSA-N 215.293 2.032 0 30 BEAC CN1CCC[C@@H](CN)[C@H]1c1cccs1 101429199 DPKWXOKHANQUNA-ONGXEEELSA-N 210.346 2.090 0 30 BEAC O=C(Nc1ccc(Cl)cc1)OCC=CCO 2265237579 NJFAGWJWYGOAQN-UHFFFAOYSA-N 241.674 2.437 0 30 BEAC CC(C)NC(=O)Oc1noc2ccccc12 75955 CNUXFOJAJRDUSS-UHFFFAOYSA-N 220.228 2.325 0 30 BEAC CC(C)(C)c1ccc(OP(=O)(O)O)cc1 5439870 BFVWABPNHXPWPS-UHFFFAOYSA-N 230.200 2.456 0 30 BEAC CCOC(=O)[C@@H](C)Sc1ccc(O)cc1 21984460 MBJJVXODYFHLGZ-MRVPVSSYSA-N 226.297 2.436 0 30 BEAC COC(=O)C[C@@H]1CCc2ccc(O)cc2C1 82288501 FUHYNJACOYUTBV-SECBINFHSA-N 220.268 2.060 0 30 BEAC CC(=O)c1c(O)cccc1N1CCCC1 84232350 ANURFMMWJJNPJI-UHFFFAOYSA-N 205.257 2.195 0 30 BEAC NCc1ccc(O[C@H]2CCCCO2)cc1 144149719 LCYFUCXYEJHWDR-LBPRGKRZSA-N 207.273 2.051 0 30 BEAC CC(C)(C)OC(=O)N1CCc2cccnc2CC1 306755026 OJTIRKMWWMPRAT-UHFFFAOYSA-N 248.326 2.417 0 30 BEAC O=C1CCN(Cc2ccccc2)C2(CC2)C1 307440815 YGELJXVRTABJTD-UHFFFAOYSA-N 215.296 2.384 0 30 BEAC CC(C)(C)c1ccc(C(=O)CC(N)=O)cc1 142925 FQSRTGNIILJASA-UHFFFAOYSA-N 219.284 2.042 0 30 BEAC O=c1oc2ccccc2cc1-c1ccc[n+]([O-])c1 2040114 JQUCVNISFSPHEZ-UHFFFAOYSA-N 239.230 2.093 0 30 BEAC C1CCN(CCc2[nH]nc3c2CCCCN3)CC1 3698253 MHPRABLGGLJHJP-UHFFFAOYSA-N 248.374 2.186 0 30 BEAC CCOP(=O)(OCC)[C@@]1(C)CCCN1 22057371 UJLWZCRCTUPTKJ-VIFPVBQESA-N 221.237 2.352 0 30 BEAC in-vitro Cc1cc([C@@H](O)CN(C)C)cc(C)c1C 39105613 USEIMAMIUVJLTR-ZDUSSCGKSA-N 207.317 2.207 0 30 BEAC O=C(O)CCNCc1ccc(C(F)(F)F)cc1 36804808 ITSMJMONHBRYKU-UHFFFAOYSA-N 247.216 2.270 0 30 BEAC Cc1nc(C(F)(F)F)c(Br)[nH]1 95935681 BHHMSBLBLRIKBA-UHFFFAOYSA-N 228.999 2.499 0 30 BEAC O=C(O)[C@@H]1COc2ccc(C(F)(F)F)cc2C1 72232725 AZFXPCVSJPFNRV-ZETCQYMHSA-N 246.184 2.341 0 30 BEAC CC(=O)OCC[C@H]1CC(=O)[C@@H](C)C1(C)C 6030472 ODBRWRPMELYFSQ-SCZZXKLOSA-N 212.289 2.191 0 30 BEAC C[C@@H](N)c1cc2cc(Cl)ccc2[nH]c1=O 213817076 ZUQJYZAPOPVHNH-ZCFIWIBFSA-N 222.675 2.201 0 30 BEAC CS(=O)(=O)c1ccc(-c2ccccc2O)cc1 16948288 XUWAZQRPTYQIMY-UHFFFAOYSA-N 248.303 2.463 0 30 BEAC Nc1cc(Br)cnc1OC(F)F 306658669 OBFIIHMJHJRDIC-UHFFFAOYSA-N 239.019 2.028 0 30 BEAC O=C1c2ccccc2OC[C@H]1C(F)(F)F 2265365046 JWESWNBSSISHLG-SSDOTTSWSA-N 216.158 2.440 0 30 BEAC Cc1ccc(N(C)[C@H]2CCCNC2)cc1 50004339 QPGVWOBRRNWERI-ZDUSSCGKSA-N 204.317 2.183 0 30 BEAC in-vitro COc1ccc(CNc2ccncn2)c(OC)c1 109554514 JFPYIXGPHPIBOB-UHFFFAOYSA-N 245.282 2.106 0 30 BEAC CCc1cccc(C)c1NC(=O)/C=C/C(=O)O 101815 MCIJUUJSHVBIPT-BQYQJAHWSA-N 233.267 2.137 0 30 BEAC CN1CCCC[C@H]1c1[nH]nc2c1CCCCN2 3698246 DZOXZMRPHKDGBV-NSHDSACASA-N 234.347 2.315 0 30 BEAC CCOC(=O)c1ncn(-c2cc(C)cc(C)c2)n1 91368978 VCJPJUGNIYWFQC-UHFFFAOYSA-N 245.282 2.061 0 30 BEAC CCOC(=O)c1nc2cc(F)ccc2nc1C 117800296 FMNRXGLTHAPOQQ-UHFFFAOYSA-N 234.230 2.254 0 30 BEAC NC1=NC[C@H](c2ccc(C(F)(F)F)cc2)O1 2036974 NMGYDYBWRZHLHR-MRVPVSSYSA-N 230.189 2.091 0 30 BEAC in-man CCCCOC(=O)C[C@@](C)(O)C=C(C)C 5821400 QTFZJAKYCVIQBN-LBPRGKRZSA-N 214.305 2.437 0 30 BEAC COc1cc2oc(C)cc(=O)c2c(O)c1C 13484895 RGTSAUBIQAKKLC-UHFFFAOYSA-N 220.224 2.124 0 30 BEAC endogenous,in-man CC[C@@H](C)N(CC(=O)O)C(=O)OC(C)(C)C 37473812 BJPBTTIEKVITNS-MRVPVSSYSA-N 231.292 2.107 0 30 BEAC O=C(O)c1cc(Cl)ccc1-n1ccnc1 42801896 WVQUFKXLBBAUSW-UHFFFAOYSA-N 222.631 2.224 0 30 BEAC C[C@@H](O)c1ccc(N2CCOCC2)cc1Cl 70603153 LTKMTPNTPFSSOG-SECBINFHSA-N 241.718 2.230 0 30 BEAC in-vitro COc1cc(OC)c(OC)cc1S 77296829 QPIAOGSLVKAHOX-UHFFFAOYSA-N 200.259 2.001 0 30 BEAC Cc1[nH]c(-c2ccccc2)cc1CCN 77296915 ABLMBZMIUGUEIN-UHFFFAOYSA-N 200.285 2.491 0 30 BEAC C[C@@H]1CC[C@](NC(=O)OC(C)(C)C)(C(=O)O)C1 80469186 BJFXWWXEILERJS-PRHODGIISA-N 243.303 2.155 0 30 BEAC CCOC(=O)CC[C@@H]1CCCC[C@@H]1N(C)C 38611813 ZRFQIXZAJFYQED-RYUDHWBXSA-N 227.348 2.450 0 30 BEAC CC[C@H](C)c1ccc([C@@H](CO)C(=O)O)cc1 39120466 HEXNJMIPLVINJV-JOYOIKCWSA-N 222.284 2.361 0 30 BEAC CCOC(=O)CCc1ccc(OC(C)=O)cc1 96336315 ATTBAJVGJKTREB-UHFFFAOYSA-N 236.267 2.108 0 30 BEAC COC(=O)Cc1cc(C)ccc1Br 221198151 MYJWYBQGPAQJEV-UHFFFAOYSA-N 243.100 2.473 0 30 BEAC CC(=O)N(C)c1nc2ccc(F)cc2s1 45238214 BLZSPYIKOKDRTL-UHFFFAOYSA-N 224.260 2.418 0 30 BEAC S=c1[nH]nnn1[C@@H]1C[C@H]2C[C@H]1[C@@H]1C=CC[C@@H]12 100299044 APQPRBZCCNHYTF-GRDBIXFFSA-N 234.328 2.109 0 30 BEAC CC[C@H](C)OC(=O)[C@@H](C)C(=O)O[C@H](C)CC 309271663 ABPVWWMYGHRRLR-MYJAWHEDSA-N 230.304 2.306 0 30 BEAC CSc1nc2c(C)csc2c(=O)n1C 82288 ZTUWFMXQIPTGBN-UHFFFAOYSA-N 226.326 2.025 0 30 BEAC CCOC(=O)/C=C/C(=O)c1ccc(F)cc1 32099161 HEMDRKHHUFUGRF-BQYQJAHWSA-N 222.215 2.128 0 30 BEAC COC(=O)[C@]12CCCCC[C@@H]1CC(=O)CC2 34557388 UQKNPEUNVZXMSI-MFKMUULPSA-N 224.300 2.479 0 30 BEAC CCOc1cc(C)c(O)cc1NC(C)=O 39099652 PCRIERIVEOHWIV-UHFFFAOYSA-N 209.245 2.058 0 30 BEAC CCOC(=O)CCc1cccnc1Cl 59860267 KQOZEGIHVNZLRC-UHFFFAOYSA-N 213.664 2.231 0 30 BEAC in-vitro COc1ccc([C@H]2NCC2(C)C)cc1OC 221552825 ACWICNAJFFNHEF-GFCCVEGCSA-N 221.300 2.374 0 30 BEAC CCOC(=O)[C@H]1CCCCC(C)(C)C1=O 719189622 NRCHPTGGEQJFEK-VIFPVBQESA-N 212.289 2.335 0 30 BEAC NNC(=S)c1cc(Cl)cc(Cl)c1 172776 YHXZPVDPHZSIET-UHFFFAOYSA-N 221.112 2.132 0 30 BEAC O=S(=O)(Nc1cccc(F)c1)C(F)(F)F 39123868 AAYLSDIKTKMOFT-UHFFFAOYSA-N 243.181 2.087 0 30 BEAC COc1ccc(NC(N)=S)c(Cl)c1 238372838 CLDZDZXCJLVDJV-UHFFFAOYSA-N 216.693 2.004 0 30 BEAC C[C@@H]1CCCN(C(=O)OCc2ccccc2)[C@@H]1N 306823463 SWFQKBJFZPIORO-YPMHNXCESA-N 248.326 2.340 0 30 BEAC CCCCCOc1ccccc1C(N)=O 1999301 UHYJMNVCANOFPF-UHFFFAOYSA-N 207.273 2.355 0 30 BEAC in-man CC(C)(N)[C@@H](O)c1ccc(Br)cc1 19684305 PYQYNZYWOPUGGQ-VIFPVBQESA-N 244.132 2.220 0 30 BEAC in-vitro Cc1c(F)c(F)c(C)c(C(=O)O)c1F 34454703 ZWRWRGOJQGCKGR-UHFFFAOYSA-N 204.147 2.419 0 30 BEAC C[C@H](C(=O)O)c1ccc2ccccc2n1 83283714 UWDXHCLGEQDQJM-QMMMGPOBSA-N 201.225 2.423 0 30 BEAC in-vitro CC(=O)c1nscc1Br 201717248 BDPCPUNPWRFOPK-UHFFFAOYSA-N 206.064 2.108 0 30 BEAC CC(C)(C)OC(=O)N1CCC[C@H](C2(N)CC2)C1 215248592 SMQPBHLLBRPKKH-JTQLQIEISA-N 240.347 2.125 0 30 BEAC C[C@@H]1CCO[C@H]([C@H]2[C@@H](C(=O)O)C2(C)C)C1 308938764 DMJMOLKIANIRIN-KATARQTJSA-N 212.289 2.158 0 30 BEAC O=C1CCN(N=Nc2ccc(Cl)cc2)N1 382327630 DJSZFQALSLSYAE-UHFFFAOYSA-N 224.651 2.076 0 30 BEAC Cc1ccc(-c2ocnc2C(=O)O)s1 20444636 DNSWZMIXQAYCRZ-UHFFFAOYSA-N 209.226 2.410 0 30 BEAC COc1ccc([C@@]23CC[C@@H](C2)[C@@H]3C(=O)O)cc1 757542212 JLQDNLMMZXWNIE-MRCXROJRSA-N 232.279 2.448 0 30 BEAC CC(=O)c1ccc(OCCO)c2ccccc12 2036807 QHVYMDPABLEVKQ-UHFFFAOYSA-N 230.263 2.414 0 30 BEAC NC1CCC(C[C@H]2CCCC[C@H]2N)CC1 5133993 NVNXODWZSQEWSM-POOIEITISA-N 210.365 2.412 0 30 BEAC O=C(O)c1nnc(-c2cccc(Cl)c2)o1 32014874 FEWZZMSUSUSAFQ-UHFFFAOYSA-N 224.603 2.088 0 30 BEAC C/C=C\C[C@@H]1CC(=O)C[C@@H]1CC(=O)OC 63772260 JYZHNYACTQVZBM-HWKXXFMVSA-N 210.273 2.111 0 30 BEAC COc1ccc(Cl)c(OCC(C)=O)c1 72233019 BTHATVCDFNNBSS-UHFFFAOYSA-N 214.648 2.316 0 30 BEAC CC(C)[C@@]1(OC=O)CC=C(CCOC=O)CC1 5761267 GWSRKPZGWXNWPF-CYBMUJFWSA-N 240.299 2.228 0 30 BEAC CCOC(=O)/C=C/[C@@H]1C=C(O)C(O)=CC1 145689474 HEZFDDYTGIWAMM-YZCDNWJKSA-N 210.229 2.009 0 30 BEAC COC(=O)c1ccc2n[nH]c(C(F)(F)F)c2c1 260483721 HZSDDKGFPWPFBH-UHFFFAOYSA-N 244.172 2.368 0 30 BEAC C/C(Nc1ccc(F)cc1)=C1/CCOC1=O 4334922 TWEZLQROPIJJDQ-DHZHZOJOSA-N 221.231 2.459 0 30 BEAC Nc1ccn(-c2c(F)c(F)c(F)c(F)c2F)n1 40516841 LWTSDLZQJWUHMC-UHFFFAOYSA-N 249.142 2.150 0 30 BEAC in-vitro CC(C)[C@@H]1CNC(=O)N1Cc1ccccc1 1565503702 DBIXWYDXJHRNEC-LBPRGKRZSA-N 218.300 2.236 0 30 BEAC CN1CCC[C@@H](CN)[C@@H]1c1ccccc1 68590139 XORZBVQTSUNZOY-STQMWFEESA-N 204.317 2.028 0 30 BEAC CCCCN(C)c1ccc(N)c(C(=O)O)c1 37930438 GCMKCGJFTUDLKC-UHFFFAOYSA-N 222.288 2.203 0 30 BEAC CC(C)(C)OC(=O)N[C@H]1CC12CCC(=O)CC2 217101764 KJKFDUASZGJGCD-JTQLQIEISA-N 239.315 2.413 0 30 BEAC O=NN1CCC(O)(c2ccc(Cl)cc2)CC1 385521084 IHXJUMJVTANEEJ-UHFFFAOYSA-N 240.690 2.305 0 30 BEAC Cc1c(O)oc2ccc(Cl)cc2c1=O 138367665 ODYMMVQOPMZXGE-UHFFFAOYSA-N 210.616 2.460 0 30 BEAC CCC12CO[C@H](C(C)C)N1[C@@H](C(C)C)OC2 19942964 ZFNYRUONSKXJOW-VXGBXAGGSA-N 227.348 2.462 0 30 BEAC Cc1cc(N(C)C)n(-c2ccccc2)n1 196721798 GUGZWALNQADNPV-UHFFFAOYSA-N 201.273 2.247 0 30 BEAC CC(C)(CC(=O)O)OCc1ccccc1 224977701 VNAGEPKLHBWXSX-UHFFFAOYSA-N 208.257 2.457 0 30 BEAC NCc1ccc(F)cc1CN1CCCCC1 69401121 HWKATATZWFSVRQ-UHFFFAOYSA-N 222.307 2.270 0 30 BEAC O=C(O)c1cnc2sc(Cl)nc2c1 215322972 FGUQYJCNEOQXGW-UHFFFAOYSA-N 214.633 2.043 0 30 BEAC CN1C[C@@H]2Oc3c(O)cccc3[C@@]23CCC[C@H]1C3 149550653 GGOHBAJDRFZJLG-XEGUGMAKSA-N 245.322 2.279 0 30 BEAC CCOc1cnnn1[C@H]1C[C@H]2CC[C@H]1C2 263589884 SVDCZCLWIMIHMJ-GUBZILKMSA-N 207.277 2.038 0 30 BEAC CN1CCN(C)C(C)(C)[C@H]1c1ccccc1 39109987 VFRNYWHWDJUCAC-CYBMUJFWSA-N 218.344 2.384 0 30 BEAC Nc1ccccc1CNC(=O)C1CCCCC1 50015114 IRWRXPSYKQPBFA-UHFFFAOYSA-N 232.327 2.465 0 30 BEAC in-vitro Nc1nc(-c2ccccn2)nc2sccc12 50841217 DSCXDRNTNJYTOR-UHFFFAOYSA-N 228.280 2.336 0 30 BEAC in-vitro CC(C)(C)OC(=O)[C@@H]1CNCc2ccccc21 87611790 KYSSUBYNEALTEJ-GFCCVEGCSA-N 233.311 2.215 0 30 BEAC Cc1c(C(F)(F)F)ccc(C(=O)O)c1N 87788440 VFDUATBWQMJDFP-UHFFFAOYSA-N 219.162 2.294 0 30 BEAC CC(C)(C)OC(=O)N1CCC[C@@H](C2(N)CC2)C1 215248630 SMQPBHLLBRPKKH-SNVBAGLBSA-N 240.347 2.125 0 30 BEAC CC(C)(C)OC(=O)N1CCOCC12CCC2 123731642 RQEHGUYQGBKBMB-UHFFFAOYSA-N 227.304 2.176 0 30 BEAC Cc1cocc1I 196611465 CKIDRBHDTSITDM-UHFFFAOYSA-N 207.998 2.193 0 30 BEAC CC(C)(O)CC1CN(C(=O)OC(C)(C)C)C1 1535985762 KQKKCSGNMNTPCA-UHFFFAOYSA-N 229.320 2.014 0 30 BEAC Cc1cc(C)nc(OC(=O)c2ccccc2)n1 361494 KVPQGLCJLRRVQS-UHFFFAOYSA-N 228.251 2.313 0 30 BEAC CC1CC(=O)N(c2ccc(F)cc2F)C(=O)C1 2154595 AZZBPDLRDYEBGU-UHFFFAOYSA-N 239.221 2.254 0 30 BEAC OCCC[C@H]1NCCc2c1[nH]c1ccccc21 6117805 XQJOQBSYNVJACP-CYBMUJFWSA-N 230.311 2.127 0 30 BEAC COC(=O)C[C@@H](N)c1c(F)cccc1Cl 19784027 VUTKSGYZZKIRDU-MRVPVSSYSA-N 231.654 2.042 0 30 BEAC CC(C)c1cncc(Br)n1 44119904 ZVRPFWMAFFULEG-UHFFFAOYSA-N 201.067 2.363 0 30 BEAC CC(C)(C)OC(=O)N1CCC[C@@H]1C(C)(C)N 223366265 QLSSYLWUZCBAIZ-SECBINFHSA-N 228.336 2.123 0 30 BEAC O=[S@](O)c1c(F)cccc1OC(F)F 2265384867 AIZDCKCTLXCTJA-UHFFFAOYSA-N 226.175 2.008 0 30 BEAC COC[C@H](OC)[C@H](OC)c1ccccc1 32144245 RTHWDOKITCVVIH-NWDGAFQWSA-N 210.273 2.036 0 30 BEAC COc1cc(C=O)ccc1O[C@H]1CCCCO1 33610436 LLTXNXRCBBBYKB-ZDUSSCGKSA-N 236.267 2.413 0 30 BEAC O=C(O)C[C@H]1CC(=O)c2ccccc2S1 33890526 WSBIMPCUMHJQCO-SSDOTTSWSA-N 222.265 2.208 0 30 BEAC O=Cc1ccc2cc(C(=O)O)ccc2c1 34768586 SHFLOIUZUDNHFB-UHFFFAOYSA-N 200.193 2.351 0 30 BEAC Cc1cc(Br)nc(Cl)n1 72193227 IAZHWQUUIZLBAW-UHFFFAOYSA-N 207.458 2.201 0 30 BEAC COC(=O)c1[nH]c2ccoc2c1Br 115645169 MNKSOBXLSSJMIF-UHFFFAOYSA-N 244.044 2.310 0 30 BEAC N=C(N)CSc1ccc(Cl)cc1 126665 DELQETYEHHDEBG-UHFFFAOYSA-N 200.694 2.368 0 30 BEAC C[C@H](COc1ccc(Cl)cc1)C(=O)O 6036714 QBMLNKIBTFLJQG-SSDOTTSWSA-N 214.648 2.440 0 30 BEAC COc1cccc(Nc2ccc(N)nc2)c1 19952320 ILMMFUXDVMDNCV-UHFFFAOYSA-N 215.256 2.416 0 30 BEAC CN1CCN(C(=O)C(C)(C)CC(C)(C)C)CC1 31561649 WTBIGFDDMGBTSB-UHFFFAOYSA-N 240.391 2.223 0 30 BEAC [N-]=[N+]=Nc1ccc(C(=O)NCCCCN)cc1 33753347 NNPASHXQOFJAKY-UHFFFAOYSA-N 233.275 2.097 0 30 BEAC CCc1ccc(-c2ncc(C(=O)O)cn2)cc1 45817365 TYELRURQJCEDMF-UHFFFAOYSA-N 228.251 2.404 0 30 BEAC COC(=O)C[C@@H]1CSc2cc(O)ccc21 144023467 OVBBNSSEXWXZRS-SSDOTTSWSA-N 224.281 2.145 0 30 BEAC COc1cn2cncc2cc1Br 238371311 KDHCQUHSLQDFLQ-UHFFFAOYSA-N 227.061 2.105 0 30 BEAC O[C@H](COC(F)(F)F)c1cccc(F)c1 68576512 KSCDHBCCWZPEGD-MRVPVSSYSA-N 224.153 2.396 0 30 BEAC CC(C)(C(=O)O)c1ccc(C(F)(F)F)nc1 257993287 KUTLSBWNXFAXPE-UHFFFAOYSA-N 233.189 2.463 0 30 BEAC CC(C)CC(CC(C)C)OCCOCCO 1998870 PUYQBWNBLFXRIO-UHFFFAOYSA-N 232.364 2.473 0 30 BEAC COc1ccc(CC[C@H](C)C(=O)O)cc1 40740201 VRMQIYPJRVVRDU-VIFPVBQESA-N 208.257 2.349 0 30 BEAC CCO[S@@](=O)c1ccc(Cl)cc1 95752058 ARAFKHFXHSVTEI-LBPRGKRZSA-N 204.678 2.399 0 30 BEAC C[S@@](=O)Cc1cccc(Br)c1 2265351753 QARPUTQQISKHFR-LLVKDONJSA-N 233.130 2.328 0 30 BEAC Cc1c(O)ccc(CO)c1CNC(C)(C)C 2265364182 QOKWHGLEXCRQTI-UHFFFAOYSA-N 223.316 2.081 0 30 BEAC Oc1cc(Cl)c(NC2=NCCN2)c(Cl)c1 6091208 NTWBRPXHGAXREI-UHFFFAOYSA-N 246.097 2.070 0 30 BEAC world Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F 37503958 INWDICMYUFQTBQ-UHFFFAOYSA-N 244.216 2.110 0 30 BEAC in-vitro NC1(c2cccc([C@@H]3CCOC3)c2)CC1 95938199 ACZFMDFLUWXYPF-LLVKDONJSA-N 203.285 2.138 0 30 BEAC CCCc1cc(=O)c2ccc(O)cc2o1 133002 KILWUYVTGXMRNS-UHFFFAOYSA-N 204.225 2.451 0 30 BEAC NC[C@](O)(c1ccccc1Cl)C(F)(F)F 47843923 ZTXSMHZVNXHZOC-QMMMGPOBSA-N 239.624 2.049 0 30 BEAC in-vitro CC(C)(C)OC(=O)N[C@H]1COc2cccnc21 238854060 MMMKQDVFOHNLQU-QMMMGPOBSA-N 236.271 2.040 0 30 BEAC CC(=O)CC[C@@H]1OC(C)(C)OC1(C)C 4262040 AOIFUGIGKLNKKW-VIFPVBQESA-N 200.278 2.286 0 30 BEAC CN(C[C@H]1CCC[C@@H](N)C1)C(=O)OC(C)(C)C 211289095 AJLFJNFEZGEOCQ-WDEREUQCSA-N 242.363 2.371 0 30 BEAC CC[C@@H](N)c1cccc(Br)n1 95671584 YIGYLEOPRNZMCB-ZCFIWIBFSA-N 215.094 2.254 0 30 BEAC N[C@H](c1ccnc(Cl)c1)C(F)(F)F 95761266 UKFBIPTYPLUXAK-ZCFIWIBFSA-N 210.586 2.297 0 30 BEAC CC(C)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 214705770 JOSFJALFHUWUAY-SNVBAGLBSA-N 241.331 2.469 0 30 BEAC CC(=O)c1cc2cc(Cl)ccc2[nH]c1=O 11727893 MYEXYKZJHZEROP-UHFFFAOYSA-N 221.643 2.384 0 30 BEAC CCC1=C[C@H](O)C[C@H](OC(C)=O)C1(C)C 39101637 HWVHPUYCUKVYDH-QWRGUYRKSA-N 212.289 2.045 0 30 BEAC CC(C)(C)OC(=O)N1CCC(=O)C[C@@H]1C(F)F 306333693 RIJDMPSJVNBKJV-MRVPVSSYSA-N 249.257 2.220 0 30 BEAC Fc1cccc2[nH]c(C3CCNCC3)nc12 37442383 OZFSPTBWTWLOJV-UHFFFAOYSA-N 219.263 2.169 0 30 BEAC in-vitro N[C@@H](CF)c1ccc(Br)cc1 71654955 LTQTVYZYSCTZLO-QMMMGPOBSA-N 218.069 2.418 0 30 BEAC OCc1nc(C2CC2)sc1Br 95930197 OVCYSIDJQRLXNJ-UHFFFAOYSA-N 234.118 2.275 0 30 BEAC N[C@@H]1CCOc2cc(F)cc(Br)c21 238619824 YSWPWJMKDVVYGT-SSDOTTSWSA-N 246.079 2.371 0 30 BEAC CC(C)(C)OC(=O)N1CC[C@@H](O)C12CCCC2 299805590 WDPCWAUAPKJGQB-SNVBAGLBSA-N 241.331 2.301 0 30 BEAC C[Si](C)(C)CCOCn1ncc(C=O)c1F 2265384935 IGBFAEFXNFERIB-UHFFFAOYSA-N 244.342 2.147 0 30 BEAC Fc1cccc(Cl)c1[C@@H]1CNCCO1 11803056 LIZOQKDCEHOOFQ-VIFPVBQESA-N 215.655 2.140 0 30 BEAC Fc1ccc(-c2nc(C3CCNCC3)no2)cc1 32917229 HPBXDXCNYLNJDO-UHFFFAOYSA-N 247.273 2.343 0 30 BEAC CCCCCCCCS[C@@H]1CC(=O)NC1=O 100292919 XVMLYNNYUGRIPI-SNVBAGLBSA-N 243.372 2.495 0 30 BEAC CCOC(=O)C1=CN(C(=O)OC(C)(C)C)CC1 36449660 WELXPCLLNLRTJM-UHFFFAOYSA-N 241.287 2.074 0 30 BEAC CCCc1noc2nc(CC)cc(C(=O)O)c12 37288877 QSZIWYBYPFIIEO-UHFFFAOYSA-N 234.255 2.436 0 30 BEAC in-vitro COC(=O)c1cc2c(N)cccc2s1 39086999 VMRRNVCNYGTJPW-UHFFFAOYSA-N 207.254 2.270 0 30 BEAC Oc1cnc(Br)cc1Cl 95763738 UGFRHVMWGLTRQV-UHFFFAOYSA-N 208.442 2.203 0 30 BEAC CN(C)c1cc(N)cc(Br)c1 307413906 VDWGNHXTMNHNNT-UHFFFAOYSA-N 215.094 2.097 0 30 BEAC Cc1cc2c(cc1C)[C@H](C(=O)O)SCC2=O 39170804 LZXMTDHMIINMKH-LLVKDONJSA-N 236.292 2.359 0 30 BEAC OCCc1cc(F)ccc1Br 69049534 WCHMYCOJRHCHAK-UHFFFAOYSA-N 219.053 2.123 0 30 BEAC in-vitro CC[C@@H](CNC(=O)OC(C)(C)C)CC(=O)O 87980747 WJJHVCUDLONELJ-MRVPVSSYSA-N 231.292 2.012 0 30 BEAC O=C(O)c1cc2cccccc-2c1C(=O)O 143384144 DKKOLTVSTUXVIV-UHFFFAOYSA-N 216.192 2.188 0 30 BEAC OCCCCNc1ccc(Br)cn1 236505436 ABZGTLFBXNBWGD-UHFFFAOYSA-N 245.120 2.029 0 30 BEAC CC(C)(C)OC(=O)NC[C@@H]1NCCCC1(C)C 306296773 IGLGVDQPXFGFLT-JTQLQIEISA-N 242.363 2.289 0 30 BEAC C[C@H](N)[C@@](O)(Cc1ccccc1)c1ccccc1 34064636 ULFVYFVEVJMZAK-BBRMVZONSA-N 241.334 2.464 0 30 BEAC C[C@H]1C[C@H](Cc2ccccc2)CNC1=O 207344448 VJGFPCSAWUVUSX-CMPLNLGQSA-N 203.285 2.001 0 30 BEAC COC(=O)C1CC[C@H]2[C@H](CC1)C2(F)F 1535539274 USHAFHHHKFOPDR-YUMQZZPRSA-N 204.216 2.231 0 30 BEAC CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(N)=S 44670714 DZKNXFVGIGBCNJ-YUMQZZPRSA-N 246.376 2.212 0 30 BEAC CC[C@H](O)[C@@H](N)c1ccc(OC(C)C)cc1 396697107 PIWPESPTVQKIEY-STQMWFEESA-N 223.316 2.245 0 30 BEAC NC[C@H](CC(=O)O)c1ccc(C2CC2)cc1 87014097 HBOPYVWRMYBFKO-LBPRGKRZSA-N 219.284 2.081 0 30 BEAC CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H](CO)C1 146755700 DBWREWKJBLECNR-MNOVXSKESA-N 243.347 2.310 0 30 BEAC COc1cc(C)nc(-c2csc(C)n2)n1 123719 XONAKBGATPKFCJ-UHFFFAOYSA-N 221.285 2.226 0 30 BEAC CCOC(=O)COc1ccc(C)c2c1CCC2 4336035 WISKQBAKYBNDPB-UHFFFAOYSA-N 234.295 2.426 0 30 BEAC COc1cc2c(cc1OC)C(C)=N[C@H](C)C2 2570075 ZOTQMAVJUAGCKD-MRVPVSSYSA-N 219.284 2.457 0 30 BEAC Cc1onc(-c2cccs2)c1C(=O)O 16719730 QSTCJVAUTDWHRS-UHFFFAOYSA-N 209.226 2.410 0 30 BEAC FC(F)(F)c1ncc([C@@H]2CCCCN2)cn1 83072707 OXZQLKSABBSWLJ-QMMMGPOBSA-N 231.221 2.310 0 30 BEAC COC(=O)c1csc2cc(C(=O)O)sc12 1535539003 AUCZIXARSMGJKL-UHFFFAOYSA-N 242.277 2.448 0 30 BEAC CNC(=O)n1cc(-c2ccccc2)c(C)n1 141033 MBCWVMUVOFCHOY-UHFFFAOYSA-N 215.256 2.046 0 30 BEAC c1ccc([C@@H]2OC[C@H]([C@@H]3CCCCN3)O2)cc1 5934291 XKGUUISNOPCNKA-BFHYXJOUSA-N 233.311 2.243 0 30 BEAC CCOC(=O)[C@@H]1C[C@H](C(C)C)CCC1=O 54556964 BSEGZDIJFOLZPJ-NXEZZACHSA-N 212.289 2.191 0 30 BEAC CC[C@H](N)c1cccc(Br)n1 95685638 YIGYLEOPRNZMCB-LURJTMIESA-N 215.094 2.254 0 30 BEAC c1ccc2c(c1)N=c1cc3c(cc1-2)=NCS3 95931751 AHJUYHSHXRDRLH-UHFFFAOYSA-N 224.288 2.301 0 30 BEAC Clc1ccc(OCC2CCNCC2)cn1 98209920 AEAZWGYXRRGTDI-UHFFFAOYSA-N 226.707 2.113 0 30 BEAC in-vitro O=C(O)CC(F)(F)c1ccc(F)cc1 214501934 OQGRYYZMVHZTIE-UHFFFAOYSA-N 204.147 2.392 0 30 BEAC CCSC(=S)S[C@@H](C)C(=O)O 218812228 WRYYRWJWFQIMSN-BYPYZUCNSA-N 210.345 2.231 0 30 BEAC CC(C)(C)OC(=O)c1ccc(C(=O)O)cc1F 575442019 OENRTSFIBLMLSD-UHFFFAOYSA-N 240.230 2.479 0 30 BEAC COc1ccc(-c2c[nH]cc2C(=O)O)cc1 1442755 GAOXDZGUHKEIQE-UHFFFAOYSA-N 217.224 2.389 0 30 BEAC CCc1cccc2c(CCNC(C)=O)c[nH]c12 39102900 YXZGRNWBTXFANX-UHFFFAOYSA-N 230.311 2.409 0 30 BEAC N[C@@H](C(=O)O)c1cccc(-c2ccccc2)c1 95642254 BICOWRKGXJLEAM-CYBMUJFWSA-N 227.263 2.438 0 30 BEAC O[C@H](CF)c1ccc(Br)cc1 38917586 DOCJQSDUKAOMNV-MRVPVSSYSA-N 219.053 2.452 0 30 BEAC COC(=O)c1sc(C(F)(F)F)cc1N 39296043 USFZWRFTPMMTFR-UHFFFAOYSA-N 225.191 2.136 0 30 BEAC C[C@H](O)CC[C@@H](C)OC(=O)c1ccccc1O 44710189 SNVAUMORJDHTNM-VHSXEESVSA-N 238.283 2.099 0 30 BEAC CC(C)(C)OC(=O)NCCc1ccc[nH]1 45802959 WAECOGXXHGHRNF-UHFFFAOYSA-N 210.277 2.082 0 30 BEAC CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@H]1CC2=O 722617722 QPLFGDVZMUEZKT-AEJSXWLSSA-N 239.315 2.269 0 30 BEAC CN(Cc1ccccc1)[C@H]1CCCNCC1 82666636 YICRVFXFCKIOTE-AWEZNQCLSA-N 218.344 2.261 0 30 BEAC in-vitro O=C(Nc1ccc(S)cc1)C(F)(F)F 33611405 WJSDFLAFDAZHPZ-UHFFFAOYSA-N 221.203 2.476 0 30 BEAC Cc1cc(COc2ccccc2C(=O)O)no1 13035668 RPXIOOGNLQDGPI-UHFFFAOYSA-N 233.223 2.260 0 30 BEAC COC[C@@H](OC)[C@H](OC)c1ccccc1 32144242 RTHWDOKITCVVIH-VXGBXAGGSA-N 210.273 2.036 0 30 BEAC CCOc1cccc(-c2cnc(N)nc2)c1 96312579 SECSWWZKGTXUON-UHFFFAOYSA-N 215.256 2.125 0 30 BEAC CC(C)N1N=C(c2ccccc2)CC1=O 104167089 KDLINXKSDQSVBP-UHFFFAOYSA-N 202.257 2.031 0 30 BEAC CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@@]21CN 725343622 JMOZKVNMOLZJSA-ZWNOBZJWSA-N 240.347 2.125 0 30 BEAC O=C(O)[C@@H]1C[C@H]1c1ncccc1Br 1536058354 VNKSIKNEPDAXBL-PHDIDXHHSA-N 242.072 2.032 0 30 BEAC C[C@H](C(=O)O)c1cnc(-c2ccccc2)nc1 39121035 QUPOSPUCIJRFCX-VIFPVBQESA-N 228.251 2.332 0 30 BEAC CCCOc1ncc(Br)cc1N 40713982 RFEZOGQTWGDJTP-UHFFFAOYSA-N 231.093 2.215 0 30 BEAC COc1ccc2nccn2c1Br 238383966 ABHXMPGNJCNNKN-UHFFFAOYSA-N 227.061 2.105 0 30 BEAC CNC1(CNC(=O)OC(C)(C)C)CCCCC1 642882287 PJPWNNWSTLFGPW-UHFFFAOYSA-N 242.363 2.433 0 30 BEAC CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CCCN2 685945601 WSMAXRYYFOMQSC-ZWNOBZJWSA-N 240.347 2.043 0 30 BEAC C[C@H]1COCCN1c1ccc(N)cc1Cl 35774429 KVGGIFLBAALOKO-QMMMGPOBSA-N 226.707 2.147 0 30 BEAC CO[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 245240538 ZYYXGYAWMJJYHY-MGCOHNPYSA-N 229.320 2.469 0 30 BEAC Cc1nc(C(=O)O)c(NC(=O)OC(C)(C)C)o1 113659490 FWTNREZOUJYXFA-UHFFFAOYSA-N 242.231 2.028 0 30 BEAC CNC(=O)c1ccccc1-c1cccc(CN)c1 2265384702 MHDJXGUORYPCQJ-UHFFFAOYSA-N 240.306 2.172 0 30 BEAC C=COC(=O)C(F)(F)C(F)(F)Cl 33607638 HLZZKBZAPCCVIE-UHFFFAOYSA-N 206.522 2.140 0 30 BEAC O=C(O)Cc1nc(C2CCCC2)cs1 33786598 BAZUOQRHUNLPEN-UHFFFAOYSA-N 211.286 2.428 0 30 BEAC CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 40443123 ZDIZVOYIUYVPCG-ZJUUUORDSA-N 229.320 2.014 0 30 BEAC CC(C)(C)OC(=O)N1CC(=O)[C@@H]2CCCC[C@H]21 215606236 RFOYQHUATFKSIW-NXEZZACHSA-N 239.315 2.365 0 30 BEAC Cn1nnc(-c2cc(Cl)cc(Cl)c2)n1 90013 QBDAIMKWEJQBHA-UHFFFAOYSA-N 229.070 2.184 0 30 BEAC CCC(=O)c1c(OC)cc(OC)cc1OC 1845631 QLYHTUKAVJKTQL-UHFFFAOYSA-N 224.256 2.305 0 30 BEAC COc1ccc(-c2ccc(C(=O)O)[nH]2)cc1OC 41298823 AVJLAEUFLIQGCM-UHFFFAOYSA-N 247.250 2.397 0 30 BEAC Nc1cnc2c(Br)cccc2c1N 584882728 NVEZUMVLBQMEPT-UHFFFAOYSA-N 238.088 2.162 0 30 BEAC C[C@H](Oc1ccccc1F)C(=O)C=CN(C)C 83293827 HYCKICMHCPYMRZ-JTQLQIEISA-N 237.274 2.237 0 30 BEAC CCCCOC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 5514029 VRHUZZLSVQTROS-VHSXEESVSA-N 228.288 2.221 0 30 BEAC O=C(N[C@@H]1C[C@@H]1c1ccccc1)C(F)(F)F 32137334 ONHHCCWIZDGBTO-RKDXNWHRSA-N 229.201 2.221 0 30 BEAC CCOC(=O)C(F)(F)[C@](C)(O)c1ccccc1 36406054 ILFQGBWKIKNCCJ-LLVKDONJSA-N 244.237 2.093 0 30 BEAC CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 40443125 ZDIZVOYIUYVPCG-NXEZZACHSA-N 229.320 2.014 0 30 BEAC COc1cc(NC(C)=O)c2ncsc2c1 45237537 UCZPMWJHOYXZSY-UHFFFAOYSA-N 222.269 2.263 0 30 BEAC CC(C)(C)OC(=O)N1CCC[C@H]1CCCN 70162422 IMARJCJANVNDAM-SNVBAGLBSA-N 228.336 2.125 0 30 BEAC O=C(O)c1nnc(C2CCCCC2)s1 83297569 XBWVNLSHQKOOLR-UHFFFAOYSA-N 212.274 2.284 0 30 BEAC C[C@@H](N)c1nnc(-c2ccccc2F)s1 83320366 IYTIWZFFDCPUTA-ZCFIWIBFSA-N 223.276 2.364 0 30 BEAC in-vitro O[C@H]1C(=Cc2ccccc2F)N2CCC1CC2 2265269938 UKKVANDFEBKGCK-CQSZACIVSA-N 233.286 2.253 0 30 BEAC CCOC(=O)c1cc2cccc(O)c2[nH]1 75605475 SUFWHESGARMYGI-UHFFFAOYSA-N 205.213 2.050 0 30 BEAC CCC(CC)(CCN)NC(=O)OC(C)(C)C 84424317 BBWWWPBJGDIZBR-UHFFFAOYSA-N 230.352 2.419 0 30 BEAC Cn1cc(Br)c(C2CCOCC2)n1 84556746 LRDFXHBDJDCXPM-UHFFFAOYSA-N 245.120 2.077 0 30 BEAC CN(C(=O)OC(C)(C)C)[C@H]1CCC[C@H](N)C1 211522679 WOZAJTZCTUXUPI-UWVGGRQHSA-N 228.336 2.123 0 30 BEAC O=C1CCc2cccc(Br)c2O1 258910840 OWDGSPMWCWNNTI-UHFFFAOYSA-N 227.057 2.301 0 30 BEAC CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@@]1(CN)C2 757211065 JANYSJKDLOJYHV-BREBYQMCSA-N 240.347 2.029 0 30 BEAC CCOC(=O)/C=C/c1ccc(Cl)cc1N 36449231 SGOIKSSENDMYNM-GQCTYLIASA-N 225.675 2.499 0 30 BEAC O=C(O)c1cccc([C@@H]2CCCOC2)c1 88611627 NJIAFDWKXOJCKQ-LLVKDONJSA-N 206.241 2.279 0 30 BEAC Fc1c[nH]c2c(Cl)nc(Cl)nc12 95930410 KCJPYNHUEVEOGY-UHFFFAOYSA-N 206.007 2.404 0 30 BEAC C[C@@H]1C[C@H](CCNC(=O)OC(C)(C)C)CCN1 217120753 IAIZJKYUFUMGRL-MNOVXSKESA-N 242.363 2.289 0 30 BEAC O=S1(=O)CC=C(Sc2ccccc2)C1 149767 XITUGXXTOSMBIN-UHFFFAOYSA-N 226.322 2.091 0 30 BEAC COc1ccc(COC2CCNCC2)cc1F 36963166 MOGGHAAUYCUQSG-UHFFFAOYSA-N 239.290 2.103 0 30 BEAC Cc1ccccc1CNC1CCN(C)CC1 37248608 LOVONWFZUOSEMX-UHFFFAOYSA-N 218.344 2.179 0 30 BEAC Brc1ccc(O[C@@H]2CCOC2)nc1 72193050 MUUIXVLMQRHUBN-MRVPVSSYSA-N 244.088 2.012 0 30 BEAC Cc1cccc(C)c1N(C(=O)CN)C(C)C 82288978 XTROKJGKHGPNON-UHFFFAOYSA-N 220.316 2.004 0 30 BEAC COc1cc(C)ccc1C1(C(=O)O)CC1 82931897 UPBJDOHRQLIMFQ-UHFFFAOYSA-N 206.241 2.120 0 30 BEAC Brc1cccc(N[C@H]2CCNC2)c1 84193091 XIWRQCZKFYOREP-JTQLQIEISA-N 241.132 2.223 0 30 BEAC in-vitro CCO[C@H](C)OC[C@@H](C)O[C@H](C)OCC 100051225 TZVJNJVDGXFMCF-OUAUKWLOSA-N 220.309 2.173 0 30 BEAC endogenous,in-man COC(=O)CC[C@H]1CNc2ccc(C)cc21 238353019 JDYKAXZTNUOCHO-JTQLQIEISA-N 219.284 2.457 0 30 BEAC O=C(CC(=O)C(F)F)c1cc(F)cs1 607717077 PCKLTOGEHDYDFV-UHFFFAOYSA-N 222.187 2.294 0 30 BEAC CC(C)(C)OC(=O)N1CC[C@H](C2CC2)[C@H]1CO 205888667 JBPYSRCIABNLNM-GHMZBOCLSA-N 241.331 2.014 0 30 BEAC CCOC(=O)[C@]12CCC[C@@H]1CC(=O)CC2 36437396 WUEVMRBXTWODMK-SKDRFNHKSA-N 210.273 2.089 0 30 BEAC CC(C)(C)OC(=O)NC[C@H](O)c1cccs1 34170744 CQGRIRKQEHAFIP-QMMMGPOBSA-N 243.328 2.306 0 30 BEAC Cc1n[nH]c(=O)c2nc(-c3ccccc3)sc12 123825 GHUBVVHHVDRSNS-UHFFFAOYSA-N 243.291 2.355 0 30 BEAC CC(C)(Oc1ccc(F)c(F)c1)C(=O)O 41957853 SRUAOLXCHYITHR-UHFFFAOYSA-N 216.183 2.207 0 30 BEAC COc1ccc([C@@H]2CCN[C@@H]2C)cc1F 77303087 HQBDEDMVVPGGDX-PSASIEDQSA-N 209.264 2.300 0 30 BEAC CO[C@@](C)(CN)c1cc(Cl)ccc1F 83264855 JBBBIAAXIVWWGV-JTQLQIEISA-N 217.671 2.299 0 30 BEAC Brc1ccc2nnsc2c1 115764020 HRDFWZRRQDWWAB-UHFFFAOYSA-N 215.075 2.454 0 30 BEAC CC1(C)CC(=O)[C@@H](C(=O)OC(C)(C)C)C1 197724336 CJTBPCDVSFOXPD-QMMMGPOBSA-N 212.289 2.333 0 30 BEAC FC(F)(F)[C@H]1CNCc2ccccc21 214274312 MYLHWAPUKOBFOT-VIFPVBQESA-N 201.191 2.436 0 30 BEAC CCc1nc2cc(CN)ccc2n1C1CC1 62213985 QKSXBVAUFLEQSR-UHFFFAOYSA-N 215.300 2.392 0 30 BEAC O=Cc1cccc(-c2ccc(C(=O)O)cn2)c1 65347198 OVGILAKIAUTIJH-UHFFFAOYSA-N 227.219 2.259 0 30 BEAC COc1ccccc1C[C@@H]1CCC[C@@H]1O 43656330 BEZPHADQLNSEQG-JQWIXIFHSA-N 206.285 2.399 0 30 BEAC in-vitro Brc1ccc(-c2ncno2)cc1 68592237 LKOQNAZZIVMSNR-UHFFFAOYSA-N 225.045 2.499 0 30 BEAC in-vitro CCc1nn(C)c([C@@H]2CCCN2)c1Cl 2210081225 IFNREJFHPSWAHO-QMMMGPOBSA-N 213.712 2.060 0 30 BEAC CC(C)[C@H]1CC[C@@H](C)C[C@H]1C(=O)NCCCO 38613746 VBXWUOYNNYFRAX-JHJVBQTASA-N 241.375 2.193 0 30 BEAC Cc1ccc(Cl)cc1NC(=S)N(C)N 13659146 JMMCDCBKCPZBLT-UHFFFAOYSA-N 229.736 2.151 0 30 BEAC O=C(O)[C@@H]1C[C@H]1c1ccnc2ccccc12 82665189 AJMOJSADAZCTDI-WDEREUQCSA-N 213.236 2.423 0 30 BEAC O=C(O)c1csc(-c2ccccc2O)n1 14505276 UCVBEULMPJTLLH-UHFFFAOYSA-N 221.237 2.214 0 30 BEAC CCCOC(=O)C1(c2ccccc2)CCNCC1 33607277 UGQSPUCEBMVHDO-UHFFFAOYSA-N 247.338 2.261 0 30 BEAC O[C@H]1CCc2ccc(OC(F)F)cc21 238700489 IQMUSXBHYFARHR-VIFPVBQESA-N 200.184 2.268 0 30 BEAC CC(C)(C)OC(=O)n1ccc2c[n+]([O-])ccc21 238852891 HRUZLVGCWPFKQF-UHFFFAOYSA-N 234.255 2.058 0 30 BEAC CC(C)c1nc2cc(CCN)ccc2o1 71482214 BGXFTTREWJOPDB-UHFFFAOYSA-N 204.273 2.452 0 30 BEAC COC(CNc1ccc(Cl)cc1)OC 75772027 VLBSVKRHSMYGPP-UHFFFAOYSA-N 215.680 2.371 0 30 BEAC Cc1cn[nH]c1C(F)(F)C(F)(F)F 197935098 VRJIFIZGIKIZHV-UHFFFAOYSA-N 200.110 2.372 0 30 BEAC CC(C)(C)OC(=O)N[C@](C)(C(=O)O)C1CCC1 238128681 INPULSYKJSFPJF-LBPRGKRZSA-N 243.303 2.155 0 30 BEAC NS1=c2ccccc2=Cc2ccccc21 2265356101 XNGHMRPCRXDBKC-UHFFFAOYSA-N 213.305 2.281 0 30 BEAC CCOC(=O)c1cc(Cl)c(O)cc1F 261173666 BCVQEBJFPNHVDQ-UHFFFAOYSA-N 218.611 2.361 0 30 BEAC COC(=O)/C=C/[C@H](C)OCc1ccccc1 4262309 HQXFTCDXKMAFJW-FBOQAHMBSA-N 220.268 2.321 0 30 BEAC CC(=O)CCCN(C)C(=O)OC(C)(C)C 34571499 KYNJMYNIVOFDCC-UHFFFAOYSA-N 215.293 2.223 0 30 BEAC CC(C)(C)OC(=O)N1CCC(=O)C2(CCC2)C1 79034203 XCABBJCQOZYZKD-UHFFFAOYSA-N 239.315 2.367 0 30 BEAC CCOC(=O)C[C@@H]1CCC[C@@H](OC)C1 98210076 PZGQPIICZWXACX-NXEZZACHSA-N 200.278 2.145 0 30 BEAC in-vitro CCc1cccc(C)c1N1C(=O)C[C@@H](C)C1=O 100394039 MDZRTCBOQLDHBD-SNVBAGLBSA-N 231.295 2.457 0 30 BEAC CCOC(=O)/C(C)=N/Nc1ccc(OC)cc1 136904335 FILMOULYWLOUCM-UKTHLTGXSA-N 236.271 2.046 0 30 BEAC CCc1cccc(NC[C@@H]2CCCN2)c1 214561961 BPQXBKUMUTWFSZ-ZDUSSCGKSA-N 204.317 2.413 0 30 BEAC CCOC(=O)Cc1c(Cl)cncc1Cl 222527004 KLVOLGVNVWNTEE-UHFFFAOYSA-N 234.082 2.494 0 30 BEAC COC(=O)c1cc(Cl)c(F)cc1OC 261026551 DXJYCYYSYPKELG-UHFFFAOYSA-N 218.611 2.274 0 30 BEAC CCOC(=O)c1c(C)nc2sc(C)cn12 40438148 NWKLMUNHQJTCDO-UHFFFAOYSA-N 224.285 2.189 0 30 BEAC Cc1ccc(F)c(-c2ccc(=O)[nH]c2)c1 65337787 WYPNBYIIJCDTAE-UHFFFAOYSA-N 203.216 2.489 0 30 BEAC Cc1c(C(C)C)[n+](=O)c2ccccc2n1O 136467998 QJRACUCXQLQOQH-UHFFFAOYSA-N 219.264 2.225 0 30 BEAC C(=Cc1ccnc2ncnn12)c1cccs1 2265233887 FBUFJJIQNGUTGX-UHFFFAOYSA-N 228.280 2.356 0 30 BEAC CC(=O)S[C@@H](C(=O)O)c1ccccc1 3164136 GCBDFXPLCNQIFE-SECBINFHSA-N 210.254 2.092 0 30 BEAC in-vitro O=C(O)c1c(Cl)cncc1C(F)(F)F 82360357 PJYHDVHSHFMHBA-UHFFFAOYSA-N 225.553 2.452 0 30 BEAC C[C@@](O)(Oc1cccc2ccccc12)C(=O)O 96331904 IMXAPUAYUXZOBU-CYBMUJFWSA-N 232.235 2.012 0 30 BEAC CO[C@H](CN)c1ccc(F)c(C(F)(F)F)c1 132441631 LKVJTSFJMXRHLC-SECBINFHSA-N 237.196 2.491 0 30 BEAC CCOC(=O)c1ncoc1-c1csc(C)n1 233720597 IXBPPROWTPOQOG-UHFFFAOYSA-N 238.268 2.283 0 30 BEAC O=C1CCC[C@H]2SCCCS[C@@H]12 238790165 AHKUISCJVXNXML-BDAKNGLRSA-N 202.344 2.347 0 30 BEAC CCOC(=O)c1c(C)cn2ccccc12 32197507 AEVIPPKEGKHLRI-UHFFFAOYSA-N 203.241 2.424 0 30 BEAC COc1ccc(C2=NCCS2)cc1C 33638115 XDHSIVNULGJESC-UHFFFAOYSA-N 207.298 2.497 0 30 BEAC CCC[C@H]1OC(=O)C2=C1Oc1ccccc1O2 35090835 AWXZVBDNHWDFDH-SNVBAGLBSA-N 232.235 2.395 0 30 BEAC COC(=O)c1cccc2sc(S)nc12 95761144 RNOQDBNJCWUXLI-UHFFFAOYSA-N 225.294 2.372 0 30 BEAC NC1(c2cccc([C@H]3CCOCOC3)c2)CC1 95938193 MOAUDQOGYBFAEA-LBPRGKRZSA-N 233.311 2.112 0 30 BEAC N[C@]1(c2cccc(OC(F)F)c2)CCCOC1 2246341301 HKXHSBDBOCQBTG-GFCCVEGCSA-N 243.253 2.252 0 30 BEAC Cc1ccccc1OC[C@@H](O)COC(C)C 33852172 LCTSOABYLNTYGL-LBPRGKRZSA-N 224.300 2.160 0 30 BEAC CC(C)(C)Oc1ccc(N)c(C(=O)O)c1 37933568 VJBLVIAKOPIDNQ-UHFFFAOYSA-N 209.245 2.144 0 30 BEAC C[C@@H]1CN(Cc2ccc(F)cc2)[C@H](C)CN1 62611055 VWFLVEICKAOIRL-GHMZBOCLSA-N 222.307 2.008 0 30 BEAC O=Cc1ccc(OCCNc2ccccn2)cc1 22066182 JVWGQRVBARRDQQ-UHFFFAOYSA-N 242.278 2.385 0 30 BEAC in-vitro CCCCOc1nc2c(cc1C(N)=O)CCCC2 33895403 PJHQNYWOGRNLEA-UHFFFAOYSA-N 248.326 2.238 0 30 BEAC C[C@H](C(=O)c1cccc(Cl)c1)N(C)C 37333557 UYZAXUWVJGHEFL-MRVPVSSYSA-N 211.692 2.473 0 30 BEAC in-vivo C=CC(=O)O[C@@H]1C=C[C@@H]2[C@@H]1[C@H]1C=C[C@H]2C1 101263577 VEVJYJYFAXTUGJ-OBBGECFZSA-N 202.253 2.092 0 30 BEAC OC[C@H]1CCc2[nH]c3ccc(F)cc3c2C1 143379214 YOFCDBZOBQYVME-QMMMGPOBSA-N 219.259 2.404 0 30 BEAC C[C@H]1C[C@@H](N)C[C@@H](C)N1Cc1ccccc1 250911953 VVQHCVRZYPYZNW-IMRBUKKESA-N 218.344 2.387 0 30 BEAC CCOC(=O)c1ncn2cccc(Cl)c12 238284670 RKIJKZCEAVHYCO-UHFFFAOYSA-N 224.647 2.164 0 30 BEAC CC(C)(C)OC(=O)C1(C(=O)O)CCCCC1 211520973 DCHBQVRKVKOSMX-UHFFFAOYSA-N 228.288 2.363 0 30 BEAC CCOC(=O)/C=C/C(Cl)(Cl)Cl 1684804 IZIBACDHNNVHQA-ONEGZZNKSA-N 217.479 2.476 0 30 BEAC O=Cc1ccc(-c2ncccn2)cc1F 20446436 UPCCKZGEKVVLHM-UHFFFAOYSA-N 202.188 2.095 0 30 BEAC CC(=O)c1sc(C(=O)O)c2c1CCC2 148858017 IPLGEDFRBCLEJW-UHFFFAOYSA-N 210.254 2.138 0 30 BEAC NCC12CC3C[C@](F)(C1)C[C@@](F)(C3)C2 238616070 CBFYPKRFHAKYKS-HWACXVBKSA-N 201.260 2.346 0 30 BEAC CSc1nsc(SC)c1CO 105809 SIFVTEYXNRZCMI-UHFFFAOYSA-N 207.345 2.079 0 30 BEAC CC(C)c1c(C(F)(F)F)n[nH]c1C(=O)O 77587804 XQJHDRUDXQKIAW-UHFFFAOYSA-N 222.166 2.250 0 30 BEAC CCN(CC(C)C)c1nc(CC(=O)O)cs1 87665192 STULVPOEMXCCJE-UHFFFAOYSA-N 242.344 2.253 0 30 BEAC Nc1ncnc2[nH]cc(-c3ccccc3)c12 6963 NQKXWFXNLQYDHZ-UHFFFAOYSA-N 210.240 2.207 0 30 BEAC COC(=O)c1cnc(-c2ccc(F)cc2)nc1 35323366 QWOCFKNPWTZDTH-UHFFFAOYSA-N 232.214 2.069 0 30 BEAC CCC1(O)CCN(Cc2ccccc2)CC1 84400591 JVBRROQUCHNGIL-UHFFFAOYSA-N 219.328 2.424 0 30 BEAC COC(=O)c1cc(-c2cccc(F)c2)on1 98209785 BCBSUOISLUHEAN-UHFFFAOYSA-N 221.187 2.267 0 30 BEAC in-vitro CN[C@@H]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 211288564 VXLMNYAPSXXYGZ-GHMZBOCLSA-N 242.363 2.384 0 30 BEAC CCOC(=O)[C@H]1CC(=O)c2cccc(C)c2C1 521399788 QQNVKPTUIKKOED-SNVBAGLBSA-N 232.279 2.303 0 30 BEAC Cc1oc(Br)nc1[C@H]1CCOC1 258973988 SBHMBMYSMZNJPZ-LURJTMIESA-N 232.077 2.249 0 30 BEAC Nc1nc(Br)ccc1C(F)(F)F 307382481 HNCNPITYRLTRGC-UHFFFAOYSA-N 241.010 2.445 0 30 BEAC O=C(O)C=Cc1cc(OCc2ccccc2)no1 2265233905 VLYANKFPZQEYKT-UHFFFAOYSA-N 245.234 2.351 0 30 BEAC C[C@H]1CC(=O)[C@H](C)N(Cc2ccccc2)C1 68592977 FABAJOBMSRCVJN-RYUDHWBXSA-N 217.312 2.486 0 30 BEAC COc1ccc(CC(C)=O)c(C)c1OC 2586016 JWRKRPKCBXPHPO-UHFFFAOYSA-N 208.257 2.144 0 30 BEAC in-vitro C[C@H](O)C(=O)Nc1cc(Cl)cc(Cl)c1 78034 ZJXPSNBSBSJSOE-YFKPBYRVSA-N 234.082 2.313 0 30 BEAC Cc1oc2c(F)c(F)c(F)c(F)c2c1C(N)=O 108337 WJEMHDKQUVTZKH-UHFFFAOYSA-N 247.147 2.397 0 30 BEAC CCCCC[C@@H](O)COC(=O)C(C)C 5821006 AQENJUWUMIOQRA-SNVBAGLBSA-N 202.294 2.127 0 30 BEAC CC(C)O[C@](C)(C(=O)O)c1ccccc1 41928173 HXMJLMXLXAMMOC-LBPRGKRZSA-N 208.257 2.411 0 30 BEAC COC(=O)c1ccc(N2CCCCC2)cc1OC 218230026 ZRKLHYODWSXNJK-UHFFFAOYSA-N 249.310 2.472 0 30 BEAC COC1(c2cc(O)cc(F)c2)CCOCC1 36373401 NBHXLSHYODTEPJ-UHFFFAOYSA-N 226.247 2.183 0 30 BEAC CC[C@H]1CC[C@H](C(=O)OC(C)(C)C)[C@@H]1N 39101643 DPQTWFIKNTVQCH-LPEHRKFASA-N 213.321 2.092 0 30 BEAC CC[C@]1(NC(=O)OC(C)(C)C)CCCNC1 220524479 WEEAKLWNDDAKIM-LBPRGKRZSA-N 228.336 2.043 0 30 BEAC CC(C)c1oncc1I 2265381492 PFZTYSJGLCAIMB-UHFFFAOYSA-N 237.040 2.403 0 30 BEAC CC(C)(C)OC(=O)N1CC[C@H](N)C[C@@H]1C1CC1 217075065 DZFMDUYIUJQKRM-WDEREUQCSA-N 240.347 2.123 0 30 BEAC O=C(Cc1ccccc1)Cc1cccnc1 53130208 IOARNLGXQCFTFC-UHFFFAOYSA-N 211.264 2.436 0 30 BEAC C[C@H](Cc1ccccc1)N1CCC(=O)CC1 62187361 GGUGTDILXPSMFH-GFCCVEGCSA-N 217.312 2.283 0 30 BEAC in-vitro CC1(C)O[C@H]2Cc3cccc(O)c3C[C@H]2O1 5762624 VHQZRMCDYDICCK-NWDGAFQWSA-N 220.268 2.011 0 30 BEAC in-vitro COC(OC)c1ccnn1-c1cccc(F)c1 72190434 VQIRXWBJHOGRBG-UHFFFAOYSA-N 236.246 2.303 0 30 BEAC CCC1=C(C)/C(=C/c2ccccn2)NC1=O 100291818 OHCBRROTFQTGTN-WQLSENKSSA-N 214.268 2.279 0 30 BEAC Brc1ncccc1-c1ncc[nH]1 146166640 HPIKZMZVXCXLDD-UHFFFAOYSA-N 224.061 2.234 0 30 BEAC CN(CCC(F)(F)F)c1ccc(N)nc1 83878872 VLNMRNRXMHDLNV-UHFFFAOYSA-N 219.210 2.052 0 30 BEAC CC[C@H]1CN2CC[C@H]1C[C@H]2CNC(C)C 38271851 WFOPSSQOYSIMCX-AVGNSLFASA-N 210.365 2.105 0 30 BEAC O=C(O)c1ccc2[nH]cc(C3CCNCC3)c2c1 390821987 GRDQUCXWZCDAQO-UHFFFAOYSA-N 244.294 2.333 0 30 BEAC COc1ccc(C(=O)[C@H]2CCC[C@@H]2C(=O)O)cc1 83260323 SRFOISVYVQZJQU-RYUDHWBXSA-N 248.278 2.379 0 30 BEAC COC(=O)C[C@@H]1CSc2ccccc2O1 15042496 MTHNUSJMVAMHRC-MRVPVSSYSA-N 224.281 2.103 0 30 BEAC C/C=C(\C)[C@@H](O)[C@H]1C=CC[C@@H](OCC)O1 39099840 UKRVSZWZRRDZJQ-QHNIMVCXSA-N 212.289 2.021 0 30 BEAC O=[S@](c1ccccc1F)C(F)(F)F 82818112 DRKUQWGUYALJKG-ZDUSSCGKSA-N 212.167 2.453 0 30 BEAC COC(=O)c1csc2cc(O)ccc12 95803919 WFOIBEWWFZPKFJ-UHFFFAOYSA-N 208.238 2.394 0 30 BEAC Cc1cnn(-c2ccc([C@H](C)N)cc2F)c1 37677420 SUDPOVMETJIPIY-VIFPVBQESA-N 219.263 2.340 0 30 BEAC in-vitro C[C@@H](N)c1cn2cc(Br)ccc2n1 76790302 XIZOIMRPNXZUPS-ZCFIWIBFSA-N 240.104 2.117 0 30 BEAC CCc1nn(-c2ccccc2)c(CC)c1CN 92319509 RLWSSFFFOZRAQD-UHFFFAOYSA-N 229.327 2.456 0 30 BEAC in-vitro c1ccc(CNNOCc2ccccc2)cc1 223728657 IHSQOEIRNGGVHP-UHFFFAOYSA-N 228.295 2.413 0 30 BEAC CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1=O 135069281 HDIUBHOAPBQOFW-JTQLQIEISA-N 241.331 2.469 0 30 BEAC NCC[C@@H](c1ccccc1)N1CCCC1 11761678 IHHNZPGRBWIKFD-ZDUSSCGKSA-N 204.317 2.172 0 30 BEAC CCCCCc1c(C)[nH]c(=S)[nH]c1=O 18144626 ZVZPDHKUUVROKS-UHFFFAOYSA-N 212.318 2.474 0 30 BEAC CCOC(=O)CCCC(OCC)OCC 34515253 ZYAXWUNXKVHKDP-UHFFFAOYSA-N 218.293 2.119 0 30 BEAC Nc1nc2c(O)ccc(Cl)c2s1 95932672 VGVGECBOPBNZJS-UHFFFAOYSA-N 200.650 2.238 0 30 BEAC O=C(O)CCc1cc(Br)ccc1O 11962376 JJAWEGAXFOTRHH-UHFFFAOYSA-N 245.072 2.172 0 30 BEAC Cc1cccc(C[C@@H](N)[C@@H]2CCCO2)c1 83712479 MYJINOUQHVHLNH-OLZOCXBDSA-N 205.301 2.044 0 30 BEAC Cc1nc2cc([S@](C)=O)ccc2s1 45236246 HSITZLZYYCYZDX-CYBMUJFWSA-N 211.311 2.342 0 30 BEAC Cc1ccc(N2C[C@H](C(=O)O)CCC2=O)cc1C 51604310 QIWHCQWAKVFTLS-LLVKDONJSA-N 247.294 2.131 0 30 BEAC in-vitro N[C@@]1(Cc2ccc(Cl)cc2)CCCOC1 70012817 HWWBHTWGTFSJNX-GFCCVEGCSA-N 225.719 2.390 0 30 BEAC Cc1cc(F)c2ncc(C(=O)O)cc2c1 95883885 ISWVHRJMGACMDR-UHFFFAOYSA-N 205.188 2.381 0 30 BEAC O=C1CCCc2nc3c(cc21)C(=O)CCC3 83459 ANTYWKFHKPMJLE-UHFFFAOYSA-N 215.252 2.120 0 30 BEAC COc1cccc(C(=O)C[C@@H]2CCCO2)c1 37464120 OPFDDZKNQFJRIT-LBPRGKRZSA-N 220.268 2.447 0 30 BEAC in-vitro CC[C@]1(C)SCC[C@@H]2CCCN2C1=O 39101705 GGNLYDGKZKRGPC-ONGXEEELSA-N 213.346 2.283 0 30 BEAC O=C(O)C[C@@H]1CCCNc2ccccc21 82379593 USQCJHPAJSGLJV-VIFPVBQESA-N 205.257 2.451 0 30 BEAC COC(=O)C[C@@H]1CCO[C@H](C(C)C)C1 95348022 YILSUMKNIUBHHY-ZJUUUORDSA-N 200.278 2.001 0 30 BEAC CC(C)(C)OC(=O)N1CC(=O)[C@@H]2CCCC[C@@H]21 215606148 RFOYQHUATFKSIW-ZJUUUORDSA-N 239.315 2.365 0 30 BEAC O=c1cccc(-c2ccc3c(c2)OCO3)o1 1848524 FTGVBKACGWMZPN-UHFFFAOYSA-N 216.192 2.036 0 30 BEAC biogenic Cc1oc2c(O)c(C=O)cc(O)c2c1C 5765022 VTVZMEODWOEJPE-UHFFFAOYSA-N 206.197 2.273 0 30 BEAC N[C@@H]1CCCc2c1cnn2-c1ccccc1 72415608 KMCIRCGUHOQEFJ-GFCCVEGCSA-N 213.284 2.208 0 30 BEAC O=C(O)c1cccc(CC(F)(F)F)c1 82927064 GFYNRGCRLGAFLC-UHFFFAOYSA-N 204.147 2.490 0 30 BEAC Cc1nn([C@@H]2CCCCO2)c(Cl)c1C=O 95774210 ZWJHSPKJYOUCHY-VIFPVBQESA-N 228.679 2.357 0 30 BEAC CN1CCC2(CC1)COc1cc3c(cc12)NCC3 39151408 FSMAYISEEYGVRG-UHFFFAOYSA-N 244.338 2.010 0 30 BEAC C[C@H](Sc1nncn1C)c1cccc(N)c1 40908622 KUFWECHDRUAAKK-QMMMGPOBSA-N 234.328 2.251 0 30 BEAC O=C(O)[C@H](F)Oc1ccc(Cl)c(F)c1 134369674 YRWPHDAIMAGMIJ-SSDOTTSWSA-N 222.574 2.238 0 30 BEAC C[C@@H]1C[C@H](CC(=O)O)CN1C(=O)OC(C)(C)C 211606117 XKBYUNHRBFIONS-RKDXNWHRSA-N 243.303 2.107 0 30 BEAC OC[C@@H](CNCc1ccccc1)C1CCC1 252519082 AWOGZSFUBQHNIB-CQSZACIVSA-N 219.328 2.185 0 30 BEAC in-vitro CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@@H](N)C[C@@H]2C1 259247816 SJCUUGRNKSKSMY-CKIJPRSSSA-N 240.347 2.027 0 30 BEAC COC(=O)c1cc(Cl)n2ccccc12 307073854 AJWMQVBHHYLAQZ-UHFFFAOYSA-N 209.632 2.379 0 30 BEAC C[C@H]1CC(=O)n2c(nc3ccccc32)C1 39286889 PEPFUZUBUHUZMO-MRVPVSSYSA-N 200.241 2.259 0 30 BEAC COc1ccc2nc(Cl)nc(OC)c2c1 95756340 QPRPCOUSQCENMQ-UHFFFAOYSA-N 224.647 2.300 0 30 BEAC C[C@H](CN)Oc1ccccc1C(F)(F)F 43514090 YSQZVZRXQKRHER-SSDOTTSWSA-N 219.206 2.431 0 30 BEAC CCO[C@H](C)O[C@H]1C[C@H]2C[C@H]1C=C2N(C)C 584599917 ZLNXXORAQOJWRU-NOHGZBONSA-N 225.332 2.239 0 30 BEAC Fc1ccc2nc([C@H]3CCCNC3)oc2c1 82164476 GLNNRQDTYDEHPG-QMMMGPOBSA-N 220.247 2.434 0 30 BEAC in-vitro COC(=O)[C@H](c1ccc(C)cc1)C1CCNCC1 84078672 FUMCDFSNXHQHFM-CQSZACIVSA-N 247.338 2.251 0 30 BEAC COP(=O)(OC)Oc1ccccc1 5701255 XTBBZRRBOAVBRA-UHFFFAOYSA-N 202.146 2.466 0 30 BEAC O=c1[nH]ccc2ccc(OC(F)(F)F)cc12 33358948 AOWUFZTWDGOIAL-UHFFFAOYSA-N 229.157 2.427 0 30 BEAC CC(C)OC[C@@H](O)c1ccc(F)c(F)c1 86519365 MBISSGUSVKSDTE-LLVKDONJSA-N 216.227 2.423 0 30 BEAC in-vitro N[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 86567359 YSFAWTRWKZYAPX-LLVKDONJSA-N 245.244 2.366 0 30 BEAC COc1cc2ccc(CN)cc2cc1OC 39311949 HNYHRIHEJAVBLI-UHFFFAOYSA-N 217.268 2.316 0 30 BEAC CC(C)(C)OC(=O)CC[C@H]1CCCCN1 50928461 JBDYPEVGKHFAQF-SNVBAGLBSA-N 213.321 2.250 0 30 BEAC Cc1ccc(C=CC2=NNC(=O)CC2)cc1 2265235836 JSRXRGNLTUGNFP-UHFFFAOYSA-N 214.268 2.274 0 30 BEAC COC(=O)[C@@]12CCCCC[C@@H]1CC(=O)CC2 222118406 UQKNPEUNVZXMSI-ZWNOBZJWSA-N 224.300 2.479 0 30 BEAC COC(=O)c1cc(C(=O)O)cc(C(C)(C)C)c1 14982862 KUPYAQNSGMRTJB-UHFFFAOYSA-N 236.267 2.469 0 30 BEAC Cc1cc(Br)c2oc(=O)n(C)c2c1 41568996 JWSSQBSMJHCGDP-UHFFFAOYSA-N 242.072 2.202 0 30 BEAC in-vitro O=S(=O)(NC1=CCCCC1)c1ccccc1 100290213 VRCLPTSRBYAVBQ-UHFFFAOYSA-N 237.324 2.423 0 30 BEAC C[C@H]1CCC[C@H](NCCN2CCCC2)C1 20126765 MXLRXCJSLGRAOX-STQMWFEESA-N 210.365 2.251 0 30 BEAC COc1cc2c(cc1OC)CCC(C(=O)O)=C2 34344581 WIYVVIUBKNTNKG-UHFFFAOYSA-N 234.251 2.118 0 30 BEAC O=C(O)c1coc(Oc2ccccc2)n1 39321124 MSLQXSBLPAZCKR-UHFFFAOYSA-N 205.169 2.165 0 30 BEAC Cc1cc(NN)cc(C)c1Br 232032128 GOZVYVDYJXVQLI-UHFFFAOYSA-N 215.094 2.352 0 30 BEAC O=C1CCC[C@@]2(C1)CC(=O)Oc1ccccc12 2265351626 FMBNBXNYZIZBPK-CQSZACIVSA-N 230.263 2.377 0 30 BEAC CCc1ccc(NC(=S)NN(C)C)cc1 98317 ZAGFJQLGUFZIHD-UHFFFAOYSA-N 223.345 2.012 0 30 BEAC OC[C@H]1CSC(c2ccc(Cl)cc2)=N1 32233513 YWNTWNKTJCCPLJ-VIFPVBQESA-N 227.716 2.194 0 30 BEAC CCCC(=O)OCCC[C@@H]1CCCO1 4684000 BAEVROZWRARQSZ-JTQLQIEISA-N 200.278 2.289 0 30 BEAC CCN(C(N)=S)c1cccc(C)c1C 39124961 POCALMJCNVPQEU-UHFFFAOYSA-N 208.330 2.373 0 30 BEAC COC(=O)c1cncc2c(Cl)nccc12 238334841 SZGBWEIQUMZRMD-UHFFFAOYSA-N 222.631 2.070 0 30 BEAC CCOC(=O)c1ccccc1[C@H](C)NC 261113159 GKCYIZUBTVKSFL-VIFPVBQESA-N 207.273 2.144 0 30 BEAC CN[C@@H]1COc2cc(Br)c(F)cc21 149085910 LZKMFGAPFDKUBV-MRVPVSSYSA-N 246.079 2.241 0 30 BEAC CC(C)[C@@H]1CC[C@@H](C)C[C@@]1(O)CCO 6031111 PXRXEDWPGDGPQZ-WOPDTQHZSA-N 200.322 2.192 0 30 BEAC CCN(CCO)c1ccc([N+]#N)c(C)c1 5139572 SXGIXDUUGJFLRI-UHFFFAOYSA-N 206.269 2.298 0 30 BEAC c1ccc2c(c1)C[C@@H]([C@@H]1CCCN1)CN2 12357052 GGYJIOPBXKUYGC-YPMHNXCESA-N 202.301 2.023 0 30 BEAC CCN(CC)C(=S)C(=S)N(CC)CC 2019463 ADIGJLGLVMQTSX-UHFFFAOYSA-N 232.418 2.325 0 30 BEAC C[C@H](Oc1ccc(O)c2ccccc12)C(=O)O 6020159 MFSBBXLGJBDALP-QMMMGPOBSA-N 232.235 2.397 0 30 BEAC O=C(O)C(F)(F)Cc1ccc(F)cc1 107258039 OKHVPGAQBZVCJA-UHFFFAOYSA-N 204.147 2.088 0 30 BEAC Cc1nc(N)nc(-c2ccc(F)cc2)c1C 200001649 TWKKOZIKIPZHRG-UHFFFAOYSA-N 217.247 2.482 0 30 BEAC O=C(O)CC(=O)c1cccc(Br)c1 44376447 SWMJEGPBNHRGBN-UHFFFAOYSA-N 243.056 2.107 0 30 BEAC FC(F)(F)[C@H]1CNC[C@@H](C2CCCC2)O1 74942698 PQRFYIAFENWTLV-DTWKUNHWSA-N 223.238 2.096 0 30 BEAC Cc1cccc(Br)c1NN 238498714 KUPKCSVETTXFKG-UHFFFAOYSA-N 201.067 2.043 0 30 BEAC in-vitro CCOP(=O)(C/C=C/C=O)OCC 33985229 IIVXNWZBMVVKJU-AATRIKPKSA-N 206.178 2.008 0 30 BEAC COc1ccc2oc(C(=O)O)c(OC)c2c1 34122978 WHPMRULHYMBNDV-UHFFFAOYSA-N 222.196 2.148 0 30 BEAC CCc1ccc2c(c1)C(=O)C=C(O)C2=O 39096250 YFJKEBQQYZPKRK-UHFFFAOYSA-N 202.209 2.070 0 30 BEAC C[C@H](CO)[C@H](N)c1ccc(Br)cc1 85527308 VZFAHARCGRLZCQ-XCBNKYQSSA-N 244.132 2.077 0 30 BEAC NCc1cc2ccc(Br)cc2[nH]1 83055328 BNNJLZWHVZOVRC-UHFFFAOYSA-N 225.089 2.389 0 30 BEAC Cc1c(CO)ccc(F)c1Br 221250505 JWLYRAOTLQDLHR-UHFFFAOYSA-N 219.053 2.389 0 30 BEAC Cc1cc(C(=O)O)c(Br)cc1N 575714525 KFRDQKNTSSTHBR-UHFFFAOYSA-N 230.061 2.038 0 30 BEAC O=C(O)c1ccc(O[C@@H]2CCCCO2)cc1F 686650570 OETGAWNRCYKXNA-LLVKDONJSA-N 240.230 2.429 0 30 BEAC N=C1SCCN1Cc1ccc(Cl)nc1 4393398 WJLMZDWUGGHQEH-UHFFFAOYSA-N 227.720 2.219 0 30 BEAC C[C@@H]1CCC[C@@H](NCCN2CCCC2)C1 20126762 MXLRXCJSLGRAOX-CHWSQXEVSA-N 210.365 2.251 0 30 BEAC CCN1CCO[C@H]2c3cccc4[nH]cc(c34)C[C@H]21 31425071 ILMWHLYQRWFIJV-HIFRSBDPSA-N 242.322 2.486 0 30 BEAC C=C(C(=O)OCC)P(=O)(OCC)OCC 38221805 HGUXWCBODIJKDZ-UHFFFAOYSA-N 236.204 2.329 0 30 BEAC COC(=O)c1cc(OC(F)F)ccc1C 44713455 DPUWIOBMPPRIJK-UHFFFAOYSA-N 216.183 2.383 0 30 BEAC CC(=O)c1ccnn1Cc1ccccc1 82326855 WJNPQIHFGLHIDL-UHFFFAOYSA-N 200.241 2.134 0 30 BEAC CCOC(=O)[C@H]1CC[C@@H](OCC)CC1 118681120 KXENXGBRRCMGPC-MGCOHNPYSA-N 200.278 2.145 0 30 BEAC O=S1(=O)C=Cc2cccc(Br)c21 217659413 QGPOQHKRMFGASB-UHFFFAOYSA-N 245.097 2.207 0 30 BEAC COc1ccc2c(c1)[C@]1(C)C[C@@H](C2)N(C)C1 100271974 QBEWVEXMTZGCAK-BXUZGUMPSA-N 217.312 2.213 0 30 BEAC CN[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 86401500 BAMKOIDUXZSDIE-ZJUUUORDSA-N 228.336 2.042 0 30 BEAC NCCc1nc2cc3ccccc3cc2[nH]1 238594256 DDTJXJNVCFOYAR-UHFFFAOYSA-N 211.268 2.217 0 30 BEAC CCCCCNC(=O)c1ccc(Cl)nn1 37485537 FSAFKVORIORDIQ-UHFFFAOYSA-N 227.695 2.050 0 30 BEAC CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@]1(CN)C2 757211067 JANYSJKDLOJYHV-NRUUGDAUSA-N 240.347 2.029 0 30 BEAC Cc1cc2nc(C(F)(F)F)cc(C)n2n1 124712 HFNAOKCHYOMCIO-UHFFFAOYSA-N 215.178 2.365 0 30 BEAC COc1cc(OC)c2c(c1)O[C@@H]1OC=C[C@@H]21 39149981 KEFXQTPQVMBKRL-UFBFGSQYSA-N 220.224 2.050 0 30 BEAC C[C@@H](CN1CCC[C@@H](N)C1)c1ccccc1 217510109 FSKQNTJMJABZFU-GXTWGEPZSA-N 218.344 2.213 0 30 BEAC O=C1C2=C(CCCC2)C(=O)N1c1ccccc1 1442818 QBGQIMOGHUXVKB-UHFFFAOYSA-N 227.263 2.430 0 30 BEAC CC(C)(C)OC(=O)N1CC[C@@H](N)C[C@H]1C1CC1 217075155 DZFMDUYIUJQKRM-MNOVXSKESA-N 240.347 2.123 0 30 BEAC CC(C)(N)c1ccc(Br)nc1 238151431 BAHCOTFDBYLPFZ-UHFFFAOYSA-N 215.094 2.038 0 30 BEAC N[C@H]1CCc2nc(C(F)(F)F)ccc21 95642490 GZPFSASNOVRBBH-LURJTMIESA-N 202.179 2.046 0 30 BEAC OC[C@@H](O)c1cc(Cl)cc(Cl)c1 95532620 ZBSQIDHJYGHSTA-MRVPVSSYSA-N 207.056 2.019 0 30 BEAC CCOc1ccccc1C(F)(F)C(=O)O 55239704 LOHAZKIOHJCXLL-UHFFFAOYSA-N 216.183 2.262 0 30 BEAC in-vitro S=c1[nH]nnn1[C@@H]1C[C@H]2C[C@H]1[C@@H]1C=CC[C@H]12 100299038 APQPRBZCCNHYTF-MQIGXGKASA-N 234.328 2.109 0 30 BEAC CC(C)(C)C(=O)OCC(=O)c1ccccc1 1939 OTIZTAXUFMCICV-UHFFFAOYSA-N 220.268 2.459 0 30 BEAC in-man C[C@@H]1CCc2c(sc(N)c2C(=O)O)C1 33708080 SFZPSNBSCLUXCY-RXMQYKEDSA-N 211.286 2.153 0 30 BEAC Nc1ccc2c(c1)N(CC(F)F)CCS2 38051486 HCZOFOMWZCCHKP-UHFFFAOYSA-N 230.283 2.446 0 30 BEAC FC(F)(F)c1nc(-c2ccco2)n[nH]1 72236789 ANICTIVQXCTYBA-UHFFFAOYSA-N 203.123 2.084 0 30 BEAC CCn1nc(-c2cccs2)cc1C(=O)N(C)C 123419 WRFOQQKISZZCES-UHFFFAOYSA-N 249.339 2.333 0 30 BEAC C[C@@H]1CCO[C@@H](COc2ccccc2)O1 38648052 ACCCAQVFLWDUTB-ZYHUDNBSSA-N 208.257 2.217 0 30 BEAC COC(=O)Cc1ccc(C)c(Br)c1 95942554 AVYUTZOUDJUCGB-UHFFFAOYSA-N 243.100 2.473 0 30 BEAC in-vitro CCCCNC(=O)N(C)[C@@H]1C[C@H]2C=C[C@H]1C2 100239636 FXSHPYPGPUDCLF-SDDRHHMPSA-N 222.332 2.393 0 30 BEAC Cc1csc2ncc(Br)n12 228005500 WPPHRSDKERLOBA-UHFFFAOYSA-N 217.091 2.467 0 30 BEAC Cc1cc2c(c(C)c1CO)C(=O)[C@@H](C)C2 379837741 FUOYIVLWRSGBHK-QMMMGPOBSA-N 204.269 2.171 0 30 BEAC biogenic COC(=O)c1ccc(C2=NC(C)(C)CO2)cc1 133050 KRRIXCFETJUJHO-UHFFFAOYSA-N 233.267 2.029 0 30 BEAC OCc1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1 36449436 PSBSTRRGNORRCZ-UHFFFAOYSA-N 232.327 2.370 0 30 BEAC Ic1cc(C2CC2)no1 95643274 ZHWYJQQPDZHRMH-UHFFFAOYSA-N 235.024 2.157 0 30 BEAC in-vitro COC[C@H]1CC[C@@H](c2ccc(F)cc2)N1 259543081 UBNZSPOYUWHDBS-NEPJUHHUSA-N 209.264 2.265 0 30 BEAC C[C@H]([C@@H]1COc2ccccc2O1)N1CCCC1 1843856 KAXULGXUSBBIMN-RISCZKNCSA-N 233.311 2.311 0 30 BEAC CCOC(=O)C(=O)c1c(Cl)cncc1Cl 2524942 MOKBUJMWUJUUTL-UHFFFAOYSA-N 248.065 2.134 0 30 BEAC Cc1cc(N)nn1-c1cccc(Cl)c1 54404735 SWIDUGSHKPXBPE-UHFFFAOYSA-N 207.664 2.416 0 30 BEAC in-vitro O=C(O)c1ccc2ncn(C3CC3)c2c1 82531609 LTKFWZHJCSPJAD-UHFFFAOYSA-N 202.213 2.069 0 30 BEAC COc1ncc2[nH]ccc2c1Br 89212952 FMXFWGRGEVMWGL-UHFFFAOYSA-N 227.061 2.334 0 30 BEAC N[C@H]1CCOc2c(Cl)ccc(F)c21 95638972 REXMYOGKXMUMRV-ZETCQYMHSA-N 201.628 2.261 0 30 BEAC CCOc1ccc2ncc(C(=O)O)cc2c1 32099577 MMWHGHXYULTUMW-UHFFFAOYSA-N 217.224 2.332 0 30 BEAC CN[C@H]1COc2cc(Br)c(F)cc21 149086088 LZKMFGAPFDKUBV-QMMMGPOBSA-N 246.079 2.241 0 30 BEAC CCCC1(NC(=O)OC(C)(C)C)CCNCC1 220797419 VNGGFMQEHIWPER-UHFFFAOYSA-N 242.363 2.433 0 30 BEAC CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H](CO)C1 958559475 YGHFLEQNMACVCK-SNVBAGLBSA-N 243.347 2.262 0 30 BEAC COC(=O)c1onc(-c2ccccc2)c1C(C)=O 1031893 ZCTMZAIAGKAEIY-UHFFFAOYSA-N 245.234 2.331 0 30 BEAC CCOC(=O)N1CCCCC[C@@H]1OCC 39100171 ICYFWSHLUBNHJG-JTQLQIEISA-N 215.293 2.382 0 30 BEAC C[C@H]1CCC[C@H]1NCCc1ccccn1 70830023 ASOYTFCDGIFTKN-WCQYABFASA-N 204.317 2.402 0 30 BEAC O=C(O)c1cc2c(Br)[nH]nc2s1 96964292 RIIVCOUPQOVFQO-UHFFFAOYSA-N 247.073 2.085 0 30 BEAC C[C@@H](N)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C 334163929 ZJKHJBTXPVRQIP-KXUCPTDWSA-N 227.348 2.338 0 30 BEAC Cc1nc(Br)c(F)cc1[C@H](C)N 725343531 UKHVSYODHIOEFX-BYPYZUCNSA-N 233.084 2.311 0 30 BEAC CN1C(=O)C(Cl)(Cl)C(=O)c2ccccc21 135360 CWHVPZVGWJBXIF-UHFFFAOYSA-N 244.077 2.020 0 30 BEAC NC1CCN(c2ccccc2Cl)CC1 37483458 CCKGRVQBGOKFJU-UHFFFAOYSA-N 210.708 2.268 0 30 BEAC Clc1nccc(-n2cnc3ccccc32)n1 51850442 RKRQWLLXLIVAMK-UHFFFAOYSA-N 230.658 2.469 0 30 BEAC CO[C@@H]1Cc2cc(Br)ccc2C1=O 59865198 KPLIZPSUUSDTOV-SECBINFHSA-N 241.084 2.203 0 30 BEAC CCOC(=O)CCCN(C)Cc1ccccc1 70923753 NYLHLVRKJLNKQW-UHFFFAOYSA-N 235.327 2.462 0 30 BEAC CC(=O)SCC1CN(C(=O)OC(C)(C)C)C1 115891703 QINROPBXBXCIBN-UHFFFAOYSA-N 245.344 2.133 0 30 BEAC Cc1cnc([C@H](C)N)c(Br)c1 238436899 BTCQDDUFDOHGSN-LURJTMIESA-N 215.094 2.172 0 30 BEAC CC(C)(C)N=N[C@@](C)(C#N)CCC(=O)O 256081404 LPIJERWHZYVVLP-SNVBAGLBSA-N 211.265 2.384 0 30 BEAC CCOC(=O)[C@H]1CC12CCSCC2 307754645 ZXYYLWOJBRPCDZ-MRVPVSSYSA-N 200.303 2.083 0 30 BEAC O=c1nc(O)cc(-c2ccc(Cl)cc2)o1 142710 AURXOSYGQCITQF-UHFFFAOYSA-N 223.615 2.061 0 30 BEAC FC(F)COc1ccc(Br)nc1 127376781 NXZNWIXQHXCNFF-UHFFFAOYSA-N 238.031 2.488 0 30 BEAC C[C@H]1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)O)C1 80469202 BJFXWWXEILERJS-UFBFGSQYSA-N 243.303 2.155 0 30 BEAC COC(=O)/C(N)=C/c1ccc(Cl)cc1Cl 253533830 VDPOAJFIGYSPGM-WTKPLQERSA-N 246.093 2.466 0 30 BEAC CC(C)(C)OC(=O)N1C[C@H](N)CCC1(C)C 259351686 YUXKOZIBDDYZME-SECBINFHSA-N 228.336 2.123 0 30 BEAC NCc1cc2cc(Br)ccc2cn1 95934475 FOUBSYHVJHYZLN-UHFFFAOYSA-N 237.100 2.456 0 30 BEAC O[C@H]1CN[C@@H](c2cccc(C(F)(F)F)c2)C1 69970298 SROZVXVUBRGZGK-NXEZZACHSA-N 231.217 2.101 0 30 BEAC in-vitro CN(C)CCCn1sc2ccccc2c1=O 5688868 OGWXHSCYJOUWCU-UHFFFAOYSA-N 236.340 2.015 0 30 BEAC CC(C)c1nccc(C2CCNCC2)n1 43673957 KIJQVAOQKYRCOH-UHFFFAOYSA-N 205.305 2.067 0 30 BEAC in-vitro C[C@H]1[C@@H](N)C[C@@H](C)CN1Cc1ccccc1 68593039 MPGWATXLKGPBOP-DYEKYZERSA-N 218.344 2.244 0 30 BEAC CC(C)[C@@H]1OC[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2CO1 256449186 VGTIEZWNPAOHLF-JZRPKSSGSA-N 208.301 2.454 0 30 BEAC CCOC(=O)c1cc(Br)sn1 687808938 FLQHQYQPUQQGER-UHFFFAOYSA-N 236.090 2.082 0 30 BEAC COc1nc(Cl)nc2c1cnn2C(C)(C)C 407986252 REHKFMRUFSAGIH-UHFFFAOYSA-N 240.694 2.243 0 30 BEAC COCN(C(=O)OC(C)(C)C)C(C)C 216529262 AIJRPOLRZYXUGP-UHFFFAOYSA-N 203.282 2.236 0 30 BEAC CCO/[SH]=C/SC(C)(C)C(=O)O 306122320 SKNICFCGSBRUKE-UHFFFAOYSA-N 210.320 1.760 0 30 BEAC COc1cc2c(cc1Cl)[C@@H](N)CCN2 306701071 KDJUNEQERYAVRN-QMMMGPOBSA-N 212.680 2.164 0 30 BEAC c1nc([C@H]2NCCc3ccsc32)cs1 712526234 IISXSFKNEVONOB-SECBINFHSA-N 222.338 2.440 0 30 BEAC OC1(CCCOCc2ccccc2)CCNCC1 719525284 VTFSJBAVLNHCBF-UHFFFAOYSA-N 249.354 2.098 0 30 BEAC C[C@@H]1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)O)C1 34624619 BJFXWWXEILERJS-PELKAZGASA-N 243.303 2.155 0 30 BEAC N[C@@H]1CCC(=O)c2cc(Br)ccc21 84788760 LHJRMXAZJVQBAW-SECBINFHSA-N 240.100 2.425 0 30 BEAC O=C1COCc2c(Br)cccc21 95936032 IYYLISMVHVHXMB-UHFFFAOYSA-N 227.057 2.162 0 30 BEAC CCOC(=O)C[C@@H](N)CCCC(C)C 703974699 GKZVYMDPBDUGJS-JTQLQIEISA-N 201.310 2.093 0 30 BEAC O=C1C=CC(=O)N1C1CCCCCCC1 1439006 OCCVUVFZSHLCID-UHFFFAOYSA-N 207.273 2.024 0 30 BEAC O=C(O)CCCCCCCC[C@H](O)CC(=O)O 12493847 FYVQCLGZFXHEGL-JTQLQIEISA-N 246.303 2.027 0 30 BEAC endogenous,in-man CC(C)(C)OC(=O)N[C@](C)(CN)C1CCC1 220525029 NBIBQBHUPJWLDC-GFCCVEGCSA-N 228.336 2.029 0 30 BEAC CC(C)(C)OC(=O)N1CC2(CC(F)C2)C1 1083815517 DNQLTEYSIYYLRS-UHFFFAOYSA-N 215.268 2.355 0 30 BEAC COc1ccc(C=C2SC(=O)N(C)C2=O)cc1 2265259414 LQCLLWWODNPCCK-UHFFFAOYSA-N 249.291 2.361 0 30 BEAC C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCC1=O 2265384656 GAXQNHMLUMVDFL-DTWKUNHWSA-N 227.304 2.269 0 30 BEAC C[C@H](N)Cc1ccc(OC(F)(F)F)cc1 19389941 JTRGYKXTKPEQKB-ZETCQYMHSA-N 219.206 2.475 0 30 BEAC CCOC(=O)C(F)(F)c1cccs1 38974342 CSDXDWRLRVJHKF-UHFFFAOYSA-N 206.213 2.403 0 30 BEAC C[C@@H]1C[C@@H](OC2CCCC2)OCCO1 39112763 LAYWTQOFSMLYAQ-MWLCHTKSSA-N 200.278 2.097 0 30 BEAC CC(C)(C)OC(=O)CC[C@@H]1CCCCN1 50928459 JBDYPEVGKHFAQF-JTQLQIEISA-N 213.321 2.250 0 30 BEAC COC(=O)[C@@H](C#N)c1ncc(Cl)cc1Cl 118113464 GFSIBDVIZSCXBD-LURJTMIESA-N 245.065 2.169 0 30 BEAC Nc1ncnc2cc(-c3ccccc3)[nH]c12 146472190 ZFGNZMZPHLGRNX-UHFFFAOYSA-N 210.240 2.207 0 30 BEAC CC(C)(C)OC(=O)[C@@H]1CNC[C@H]1c1ccccc1 328579582 PWKLLLMGZOWOCC-QWHCGFSZSA-N 247.338 2.331 0 30 BEAC O[C@H](c1cccc(Br)n1)C(F)F 1536116025 HPZWZOBZWSEYBC-ZCFIWIBFSA-N 238.031 2.143 0 30 BEAC N#Cc1ccc(-c2cc(C(=O)O)no2)c(F)c1 206703444 AORACRVNQSJTHC-UHFFFAOYSA-N 232.170 2.051 0 30 BEAC CC(C)(C)OC(=O)NC[C@]12CCC[C@@H]1CCN2 687811995 ZBTWSHIOTBDKMB-ZWNOBZJWSA-N 240.347 2.043 0 30 BEAC CCOCCOC(=O)NC=Cc1ccco1 2265237904 WJNGJAVAJPOFGU-UHFFFAOYSA-N 225.244 2.013 0 30 BEAC COC(=O)Cc1ncccc1-c1ccccc1 2265347491 UFOOFLOIRCMQCD-UHFFFAOYSA-N 227.263 2.464 0 30 BEAC COC(=O)COc1ccccc1C(F)(F)F 20362155 HFBZMRWMIBCZKC-UHFFFAOYSA-N 234.173 2.257 0 30 BEAC CC(=O)Nc1c(C)cccc1CN(C)C 39105549 AMLDHETTWFICPU-UHFFFAOYSA-N 206.289 2.015 0 30 BEAC COc1cccc(-c2cccc(F)n2)n1 91368511 JIJGVCWEAQJLSQ-UHFFFAOYSA-N 204.204 2.291 0 30 BEAC O=C1CCCC(=O)C1Cc1ccccc1 100101423 MVOXCTRDLYPXRG-UHFFFAOYSA-N 202.253 2.167 0 30 BEAC CC(=O)OCc1c(F)c(F)c(F)c(F)c1F 112988999 BKWSXTXKQABCID-UHFFFAOYSA-N 240.127 2.445 0 30 BEAC COCCc1ccc(Br)cn1 117204891 QTXHCDDVOZAPTQ-UHFFFAOYSA-N 216.078 2.033 0 30 BEAC CNC[C@]1(C)CCCCN1C(=O)OC(C)(C)C 259289976 VPVXNPVMTMHFQT-ZDUSSCGKSA-N 242.363 2.386 0 30 BEAC N[C@@H](C(=O)OC1CCCC1)C1CCCCC1 48632318 YBKIMYUFPVLCQN-GFCCVEGCSA-N 225.332 2.380 0 30 BEAC OC1(c2cccc(Br)c2)CC1 54346295 GYCQBWXEPIWYQK-UHFFFAOYSA-N 213.074 2.431 0 30 BEAC COc1ccc2cccc3c2c1C(=O)N(C)C3=O 136740215 WGKCQSIXPFLRJG-UHFFFAOYSA-N 241.246 2.074 0 30 BEAC CC(C)(C)OC(=O)N1CCC[C@]2(N)CCC[C@@H]12 1554770630 AXIXCCDRBVNDAS-ZWNOBZJWSA-N 240.347 2.267 0 30 BEAC CC(=N)Nc1cc(-c2ccccc2)n[nH]1 165879 MMCAHINXCXZWMT-UHFFFAOYSA-N 200.245 2.486 0 30 BEAC N[C@H]1CCC(=O)c2cc(Br)ccc21 84788759 LHJRMXAZJVQBAW-VIFPVBQESA-N 240.100 2.425 0 30 BEAC Brc1ccc(C=C2CNC2)cc1 86882143 AXCXKLYWCHOJAC-UHFFFAOYSA-N 224.101 2.436 0 30 BEAC Cc1nc2ccccn2c1C(=O)N1CCCCC1 928599 VRISOUFNBXZUFI-UHFFFAOYSA-N 243.310 2.269 0 30 BEAC COC(=O)c1nc(-c2ccccc2)oc1OC 33834619 KEINDUWFIWFMLM-UHFFFAOYSA-N 233.223 2.137 0 30 BEAC COC(=O)[C@H](C)COCc1ccccc1 34080277 HJSABQZRAXEJNQ-SNVBAGLBSA-N 208.257 2.012 0 30 BEAC O=C(c1ccccc1)c1ccc2[nH]c(=O)oc2c1 2003004 FNIQWNQNMXTVJJ-UHFFFAOYSA-N 239.230 2.352 0 30 BEAC biogenic COC(=O)c1ccc(CCc2ccccc2)nn1 91352010 IOPLSEWANKURSA-UHFFFAOYSA-N 242.278 2.048 0 30 BEAC in-vitro N[C@@H](Cc1ccccc1)Cc1cccnc1 53130669 AJJUHFIHXUQHMV-AWEZNQCLSA-N 212.296 2.194 0 30 BEAC NC(=O)c1sc(-c2cccs2)cc1N 81912 YFLAQQQXQJSDOS-UHFFFAOYSA-N 224.310 2.158 0 30 BEAC C[C@@H](N)Cc1ccc(OC(F)(F)F)cc1 19389939 JTRGYKXTKPEQKB-SSDOTTSWSA-N 219.206 2.475 0 30 BEAC CC1(C)C[C@H](N)CCN(C(=O)OC(C)(C)C)C1 306886637 SUSZLKWTGNMZMT-SNVBAGLBSA-N 242.363 2.371 0 30 BEAC CN(C)c1ccccc1-c1ncc(CN)s1 629696169 RLBIQZFOGZOALW-UHFFFAOYSA-N 233.340 2.335 0 30 BEAC CCOC(=O)C[C@H](N)CCCC(C)C 703974701 GKZVYMDPBDUGJS-SNVBAGLBSA-N 201.310 2.093 0 30 BEAC Cc1cc(Br)c(N)c(C=O)c1 34586176 YGTPLJBXIOJOPK-UHFFFAOYSA-N 214.062 2.152 0 30 BEAC CCOC(=O)c1nc2cc(Cl)ccc2[nH]1 71009240 YOSDDOJQQIPOAS-UHFFFAOYSA-N 224.647 2.393 0 30 BEAC c1ccc(CN2[C@H]3CCC[C@@H]2CCNC3)cc1 95642512 KWSMBQIRGSLKBY-CABCVRRESA-N 230.355 2.403 0 30 BEAC Nc1nc(C(=O)O)c(Cl)c(Cl)c1Cl 149268887 ATHJTJOXOQJKEC-UHFFFAOYSA-N 241.461 2.322 0 30 BEAC COC(=O)c1ccc2c(c1)[C@H](CC(=O)O)CCC2 407985654 FDQUTDCTRXZYFY-JTQLQIEISA-N 248.278 2.368 0 30 BEAC COC(=O)c1ccc(Cl)cc1NC(C)=O 92843 DKFAYQCXBCDRFR-UHFFFAOYSA-N 227.647 2.085 0 30 BEAC Cc1cc(CO)ccc1I 90189029 GKVHYRRQQVUDKB-UHFFFAOYSA-N 248.063 2.092 0 30 BEAC O=C(O)c1nc(-c2ccc(Cl)cc2)c[nH]1 41241707 BOECNLUXALCGIR-UHFFFAOYSA-N 222.631 2.428 0 30 BEAC CC(C)OCc1ccccc1CC(=O)O 107381727 FYCQVBRLNWWJHN-UHFFFAOYSA-N 208.257 2.239 0 30 BEAC OCC(F)(F)c1csc(C(F)(F)F)n1 2265385617 RNQUPLMHPRHYNA-UHFFFAOYSA-N 233.161 2.246 0 30 BEAC O=C1NC(c2ccccc2)=N/C1=C/c1ccco1 13119755 UKRXBEYPBBEKBK-FMIVXFBMSA-N 238.246 2.197 0 30 BEAC CC(=O)CCCN1CCN(c2ccccc2)CC1 33605060 LZGUSKVMQCBGSX-UHFFFAOYSA-N 246.354 2.178 0 30 BEAC C[C@H](Cc1ccc(Cl)cc1Cl)NN 33610669 QNVIZSYMNMPZAL-ZCFIWIBFSA-N 219.115 2.388 0 30 BEAC Cc1ccc2c(c1)[C@H](N)CC1(CCN(C)CC1)O2 75813816 XUFILYTWPKCOFL-CYBMUJFWSA-N 246.354 2.242 0 30 BEAC CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1C(=O)O 84304371 QQBDACXOPPCASC-BDAKNGLRSA-N 243.303 2.012 0 30 BEAC CCOC(=O)C[C@H]1CCc2c(O)cccc21 143306660 RMUAWBIRBXWUIO-SECBINFHSA-N 220.268 2.375 0 30 BEAC Nc1cccc(CCC(=O)O)c1Br 306848525 LQESQAIWFHGJAA-UHFFFAOYSA-N 244.088 2.049 0 30 BEAC C[Si](C)(C)NCCOc1ccccc1 195762109 MRYWAIDSJPIBFY-UHFFFAOYSA-N 209.365 2.490 0 30 BEAC Cc1ccc(-c2nc(CCO)c(C)o2)cc1 11585331 WTABRJGSWMZKOR-UHFFFAOYSA-N 217.268 2.493 0 30 BEAC Brc1cccc([C@@H]2CCCN2)n1 72193311 OXMSTXNPMORHBL-ZETCQYMHSA-N 227.105 2.269 0 30 BEAC CCNc1ncnc2ccc(OC)cc12 32544138 JWGFNUMXXBCYQZ-UHFFFAOYSA-N 203.245 2.070 0 30 BEAC in-vitro Oc1n[nH]c2c1cnc1c(F)cc(F)cc12 166588 CRWQCOYJUMLOHX-UHFFFAOYSA-N 221.166 2.095 0 30 BEAC N[C@@H]1c2ccccc2CC[C@H]1N1CCCC1 20260087 PMDGVUJWHYIPGG-ZIAGYGMSSA-N 216.328 2.097 0 30 BEAC O=C1OCc2cc(F)c(Br)cc21 238542210 BFGZFOSCRAAJGJ-UHFFFAOYSA-N 231.020 2.259 0 30 BEAC CCOC(=O)c1cc(NC2CC2)ncc1Cl 309986698 YNSZONFVDQLWAU-UHFFFAOYSA-N 240.690 2.486 0 30 BEAC O=C(NCCc1ccncc1)c1cccs1 151097 QFCCFXMBXQMKQQ-UHFFFAOYSA-N 232.308 2.116 0 30 BEAC CCOC(=O)CC(=O)c1cc2ccccc2[nH]1 8700382 OLBXRMZOUKRCOM-UHFFFAOYSA-N 231.251 2.304 0 30 BEAC CN(C)[C@@H]1CCN(c2ccc(N)cc2Cl)C1 62965495 DKVYEMYXXPQXCN-SNVBAGLBSA-N 239.750 2.063 0 30 BEAC Oc1cc(Br)c2oncc2c1 84235809 DEYDZGZTDGOPEF-UHFFFAOYSA-N 214.018 2.296 0 30 BEAC COc1ccc2c(c1)[C@H](N)CC1(CCC1)O2 95616563 CEYIVUSYTKCSHN-LLVKDONJSA-N 219.284 2.400 0 30 BEAC Nc1cc(O[C@@H]2CCOC2)cc(C(F)(F)F)c1 115697067 ULQOYGJXCQYJAU-SECBINFHSA-N 247.216 2.455 0 30 BEAC CC(C)(C)OC(=O)N1CC[C@@H](N)c2cccnc21 306997031 UWZQDSMJOIIVLK-SNVBAGLBSA-N 249.314 2.227 0 30 BEAC CC(=O)n1cc(CCC(=O)O)c2ccccc21 1568712 DXQFXWYBFSJKRK-UHFFFAOYSA-N 231.251 2.319 0 30 BEAC O=c1[nH]ccc2cc(OC(F)(F)F)ccc12 33358959 LAVPRKAUDVLKED-UHFFFAOYSA-N 229.157 2.427 0 30 BEAC Fc1ccc(F)c([C@H]2C[C@H](F)CN2)c1 219607995 SMQYQMQTCFRHEJ-OIBJUYFYSA-N 201.191 2.337 0 30 BEAC OC1CCN(Cc2c[nH]c3ccccc23)CC1 42896 YBLNYFAICXHYQV-UHFFFAOYSA-N 230.311 2.125 0 30 BEAC CC(C)(C)n1nc2c(c1C(=O)O)CCCC2 258219274 LPVHSBCNCHTTMA-UHFFFAOYSA-N 222.288 2.215 0 30 BEAC CO/C=C/[C@H](C)N(C(=O)O)C(C)(C)C 39091335 SBDAXEAMFMIXRI-CZEYKFRCSA-N 201.266 2.314 0 30 BEAC Cc1cc(C)c2nc(C(=O)O)c(C(=O)O)cc2c1 32099541 HETZABGSAIXAAY-UHFFFAOYSA-N 245.234 2.248 0 30 BEAC O=C(O)c1cc(S)ccc1Br 95347800 RTXOJNLOUCCMNR-UHFFFAOYSA-N 233.086 2.436 0 30 BEAC COc1cccc([C@H](O)c2ccncc2)c1 35956365 NQSVTSGCCQLKHQ-CYBMUJFWSA-N 215.252 2.172 0 30 BEAC in-vitro CC1(C)OC(=O)C(C2CCCCC2)C(=O)O1 35976188 AUPBYTVHJWRWKM-UHFFFAOYSA-N 226.272 2.019 0 30 BEAC Cc1ccc(N(C)[C@@H]2CCCNC2)cc1 50004337 QPGVWOBRRNWERI-CYBMUJFWSA-N 204.317 2.183 0 30 BEAC in-vitro C[C@H](N)c1csc(NC(=O)C(C)(C)C)n1 70884789 KVXOYZWBUQDZAC-LURJTMIESA-N 227.333 2.147 0 30 BEAC C[C@H](O)c1cc(Br)ncc1F 95829300 SQKAOXWKWKGGRD-BYPYZUCNSA-N 220.041 2.037 0 30 BEAC in-vitro CN(C(=O)OC(C)(C)C)[C@@H]1CCC[C@@H](N)C1 211522758 WOZAJTZCTUXUPI-NXEZZACHSA-N 228.336 2.123 0 30 BEAC Cc1cc(Br)cc2c1[C@@H](N)CO2 238463694 SXZKOAQJBJKTKW-ZETCQYMHSA-N 228.089 2.150 0 30 BEAC O=C(O)c1ccc(O[C@@H]2CC2(F)F)cc1 521399803 SKMMNFWHMXBWRZ-MRVPVSSYSA-N 214.167 2.171 0 30 BEAC Cc1ccccc1CN[C@@H]1CN2CCC1CC2 19946082 WNQLEIVPEWRPDL-OAHLLOKOSA-N 230.355 2.179 0 30 BEAC in-vitro CC(C)CN(C(N)=S)c1ccccc1 39124965 GZMITEYAUOVBFW-UHFFFAOYSA-N 208.330 2.393 0 30 BEAC COc1cc2c(cc1OC)C(=O)C(C)(C)C2 91306007 WSCPCJGTGVAWHA-UHFFFAOYSA-N 220.268 2.469 0 30 BEAC OC[C@H](O)c1cc(Cl)cc(Cl)c1 95532621 ZBSQIDHJYGHSTA-QMMMGPOBSA-N 207.056 2.019 0 30 BEAC CC(C)(C)OC(=O)NCc1ccnc(Cl)n1 113848284 XEIQPEOMOTVEEG-UHFFFAOYSA-N 243.694 2.155 0 30 BEAC C[C@H]1CN(N)CCc2ccc(Cl)cc21 203709418 TVVYUHORMHYPGZ-QMMMGPOBSA-N 210.708 2.175 0 30 BEAC CCOC(=O)NCCCC(=O)c1ccccc1 205038613 JWVBEXBDXIEDGZ-UHFFFAOYSA-N 235.283 2.396 0 30 BEAC CC(C)(C)OC(=O)NC[C@@H](CC1CC1)C(=O)O 232496265 MVNTYKSTPOWNJZ-SECBINFHSA-N 243.303 2.012 0 30 BEAC CC(C)n1nc(C(F)F)cc1C(=O)O 958683566 XLMYCOFHQKWHPN-UHFFFAOYSA-N 204.176 2.100 0 30 BEAC O=C(O)c1ccccc1[S@@](=O)C(F)(F)F 37923087 MTEJDYCESKKPRC-HNNXBMFYSA-N 238.186 2.012 0 30 BEAC COC(=O)C(C/C=C/Cl)(C(=O)OC)C(C)C 40435188 SPXNFVXNCZHDPB-FNORWQNLSA-N 248.706 2.117 0 30 BEAC CC(C)(C)n1cc(C(=O)O)c(Br)n1 95347512 LNPAYNILEPSTRB-UHFFFAOYSA-N 247.092 2.099 0 30 BEAC in-vitro COC(=O)c1cccc2c1NC[C@H](C)C2 2265383690 PHHVWZOSHNAAEH-MRVPVSSYSA-N 205.257 2.077 0 30 BEAC CCNc1nc(C(F)(F)F)nc(Cl)c1N 1691575 MHWRXDYBLKRTFI-UHFFFAOYSA-N 240.616 2.163 0 30 BEAC CCOc1cc(C(=O)N(CC)CC)ccc1O 2019421 CSGBRIWXMBIKEM-UHFFFAOYSA-N 237.299 2.273 0 30 BEAC Cc1cc2c(Br)c(C)nn2cn1 22003700 GIRSTMGAWVTZDJ-UHFFFAOYSA-N 226.077 2.109 0 30 BEAC COC(=O)c1ccccc1NC1CCC1 44480592 NJPKKYFUZOWBNQ-UHFFFAOYSA-N 205.257 2.438 0 30 BEAC in-vitro CC(C)[C@@H](C(=O)O)n1ccc(C2CC2)n1 82877754 BDLIEDNHRZSELH-JTQLQIEISA-N 208.261 2.042 0 30 BEAC Clc1cnc2cnc(Br)cn12 98180521 RLWTZNHOPYIRHE-UHFFFAOYSA-N 232.468 2.145 0 30 BEAC in-vitro c1ccc(-c2cc3n(n2)CCCNC3)cc1 107393535 YLTRAMRVBKFUCS-UHFFFAOYSA-N 213.284 2.043 0 30 BEAC O=C(O)c1ccc2c3c(cccc13)[C@H](C(=O)O)C2 223524769 QNJTZBPPRMWCKW-LLVKDONJSA-N 242.230 2.262 0 30 BEAC CC(C)(C)OC(=O)N[C@@H]1COc2cccnc21 238854059 MMMKQDVFOHNLQU-MRVPVSSYSA-N 236.271 2.040 0 30 BEAC CCc1cccc(CC)c1Nc1ncnc(N)n1 73739 UXZJVCHQOULLDR-UHFFFAOYSA-N 243.314 2.322 0 30 BEAC CCOc1ccccc1Oc1ccc(N)nn1 21297568 YRBMBUAQFFFCKS-UHFFFAOYSA-N 231.255 2.250 0 30 BEAC CCC(CC)(OC)c1ccc[n+]([O-])c1C 39105794 MIKMLMQATXCGOD-UHFFFAOYSA-N 209.289 2.290 0 30 BEAC CN(C)C[C@@H]1CCCCN1C(=O)OC(C)(C)C 71618096 QFMAJVFKERAZEL-NSHDSACASA-N 242.363 2.338 0 30 BEAC CC(C)NCc1c(Cl)cccc1CO 2265362258 XLWBFMQDWLYMTN-UHFFFAOYSA-N 213.708 2.330 0 30 BEAC C[C@H](CN(C)C)n1sc2ccccc2c1=O 44712545 KUWYBHQNQPKOCD-SECBINFHSA-N 236.340 2.186 0 30 BEAC N[C@H]1CC[C@H](OCc2ccccc2)CC1 108233973 QEJZOTXVZFPSPN-BETUJISGSA-N 205.301 2.473 0 30 BEAC C[C@@H](NC(=O)c1ccccc1)C(F)(F)F 196546878 AYNNRIXQAVTECA-SSDOTTSWSA-N 217.190 2.367 0 30 BEAC O=c1[nH]cc(F)c2cc(Br)ccc12 215498571 PKLVUSHURQJECY-UHFFFAOYSA-N 242.047 2.430 0 30 BEAC NC(=S)COc1ccc(C(F)(F)F)cc1 34973289 PGHISAZTENDHEY-UHFFFAOYSA-N 235.230 2.370 0 30 BEAC O=C(O)CCc1ccc2ccncc2c1 35569646 WNTHANZFIMNECZ-UHFFFAOYSA-N 201.225 2.252 0 30 BEAC O=C(O)COCc1cc(-c2cccs2)on1 156720279 IZOBQUKTOXLEAM-UHFFFAOYSA-N 239.252 2.004 0 30 BEAC Nc1ncc(Br)c2c1CCCC2 263618047 QZTPSDMYQGRZGI-UHFFFAOYSA-N 227.105 2.305 0 30 BEAC CC(C)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)O 306779039 TZRZWXQCEBWGKY-DTWKUNHWSA-N 245.319 2.256 0 30 BEAC COc1sc(C(=O)O)cc1Br 334118 RJUPICAYMGEMHM-UHFFFAOYSA-N 237.074 2.217 0 30 BEAC O=C(N[C@@H]1CCCC[C@H]1C(=O)O)c1ccccc1 1081438 PUANNVQABXUYKU-VXGBXAGGSA-N 247.294 2.060 0 30 BEAC COC(=O)c1c(C)c(Cl)c(OC)c(C)c1O 38637313 ALHKAHMAUJFZGF-UHFFFAOYSA-N 244.674 2.458 0 30 BEAC COc1ccc([C@H]2CNCC[C@H]2C)cc1 85442493 UCCQBWFBKQDRLG-MFKMUULPSA-N 205.301 2.408 0 30 BEAC Cc1cccc(C)c1-n1nccc1C(=O)O 197120570 WDFRJXYASBQAPX-UHFFFAOYSA-N 216.240 2.187 0 30 BEAC CCOc1cccc2c(C[C@@H](C)N)c[nH]c12 39100349 ZXSGVURXGYEEJE-SECBINFHSA-N 218.300 2.456 0 30 BEAC CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H](CN1)C2 91675846 DLCSVBGZTSVSGT-MFKMUULPSA-N 240.347 2.043 0 30 BEAC CO[C@@H](c1ccccc1Cl)[C@H](C)NO 95347600 RKXBNTAHBSGATO-OIBJUYFYSA-N 215.680 2.395 0 30 BEAC in-vitro O=C(O)C1=Cc2cccc(Cl)c2OC1 198649876 MUCGQLHFTLWZNH-UHFFFAOYSA-N 210.616 2.200 0 30 BEAC COc1nc(Br)cc2[nH]ccc12 14986170 YEXAAABKHINEAN-UHFFFAOYSA-N 227.061 2.334 0 30 BEAC in-vitro Brc1cccc([C@@H]2CCOC2)n1 44121921 CVZVBHZEUCVHTN-SSDOTTSWSA-N 228.089 2.348 0 30 BEAC c1cc(N2CCC3(CCNCC3)CC2)ccn1 34774912 UURPZDUBVYSYRO-UHFFFAOYSA-N 231.343 2.052 0 30 BEAC O=C1O[C@H]2CCCC[C@@H]2C1(Cl)Cl 38633321 HZOSGSRPCDQQKW-WDSKDSINSA-N 209.072 2.276 0 30 BEAC NCCc1sccc1Br 43674240 BVSQAZYETHNSGE-UHFFFAOYSA-N 206.108 2.012 0 30 BEAC Fc1cncc(Cl)c1C[C@@H]1CCCN1 2265384432 BHPSCQPMBFAZFE-ZETCQYMHSA-N 214.671 2.169 0 30 BEAC CC(=O)c1c(Br)nc2sccn12 96984921 SPDMQLYONXRQLK-UHFFFAOYSA-N 245.101 2.361 0 30 BEAC CCOC(=O)c1csc2ncccc12 144849227 SNZKXDYEPHUSRR-UHFFFAOYSA-N 207.254 2.473 0 30 BEAC Cc1cc(C(=O)N(C)C2CCCCC2)no1 155772 LVFOAWVOZPHELK-UHFFFAOYSA-N 222.288 2.388 0 30 BEAC Cc1cc(OC(C)C)nc(OC(C)C)n1 145043333 JUULVTZQVXYAIR-UHFFFAOYSA-N 210.277 2.359 0 30 BEAC O[C@H]1CCNc2cc(Br)ccc21 199623415 TZLRCPAGFJLVIX-VIFPVBQESA-N 228.089 2.298 0 30 BEAC in-vitro CCC[C@H](C(=O)O)n1ccc(C2CC2)n1 216111069 QLVCWRUHHOAYCP-SNVBAGLBSA-N 208.261 2.186 0 30 BEAC Cc1cc(=O)[nH]c2c1c(C)nn2C(C)(C)C 18033091 BORLYRGBWLESFG-UHFFFAOYSA-N 219.288 2.096 0 30 BEAC C[C@@H](N)c1nnc(-c2cccc(F)c2)s1 83320362 GURDHSSPELXLEO-ZCFIWIBFSA-N 223.276 2.364 0 30 BEAC NC[C@H]1Cc2ccc(Br)cc2C1 84783357 KTFFSWUKYABTRV-ZETCQYMHSA-N 226.117 2.123 0 30 BEAC COc1ccc2c(c1)[C@@H](N)CC1(CCC1)O2 95616564 CEYIVUSYTKCSHN-NSHDSACASA-N 219.284 2.400 0 30 BEAC CC(C)(C)OC(=O)Nc1cc(Cl)cnn1 145804910 NWQWILSAXFYDQC-UHFFFAOYSA-N 229.667 2.477 0 30 BEAC COC(=O)c1cc(C(=O)O)cc(C(C)C)c1 197387370 MZNMEKDZGQKATD-UHFFFAOYSA-N 222.240 2.295 0 30 BEAC CC(C)(C)OC(=O)N1CC2(CCCCCN2)C1 306761181 YVMFYHSGMSRVSB-UHFFFAOYSA-N 240.347 2.140 0 30 BEAC COc1ccc(C=C2[C@@H](O)C3CCN2CC3)cc1 2265279503 YKANHTOQMROFTM-HNNXBMFYSA-N 245.322 2.123 0 30 BEAC CCC(=C\C(=O)OC)/C(=C/C(=O)OC)CC 33846107 OJQOPKJGCNFXDW-FIFLTTCUSA-N 226.272 2.005 0 30 BEAC Cc1cc(NC2CCOCC2)ccc1N 36319224 CMGPOIIAHVAQMX-UHFFFAOYSA-N 206.289 2.168 0 30 BEAC CC(C)(C)OC(=O)N1C[C@H](N)[C@@H]2CCCC[C@@H]21 215616113 CHEFDUFBSUSPOZ-DCAQKATOSA-N 240.347 2.123 0 30 BEAC CCOc1cc([C@H]2C[C@@H](C)CN2)ccc1O 3705292 JJSWTYULFULIFV-MWLCHTKSSA-N 221.300 2.461 0 30 BEAC O=C1[C@H]2[C@@H](C(=O)[C@@H]3[C@H]4C=C[C@H](C4)[C@@H]13)[C@@H]1C=C[C@H]2C1 5185621 ZCJHLBHJGLCVRU-MMUYANBASA-N 240.302 2.015 0 30 BEAC CCN(CC)C(=S)S[C@H]1CCCN1N=O 5649709 DCEAHLIVXZOPKQ-QMMMGPOBSA-N 247.389 2.450 0 30 BEAC CC(C)COC(=O)c1ccc2c(c1)OCO2 33606428 NQAZSYLIZHQVQH-UHFFFAOYSA-N 222.240 2.228 0 30 BEAC CNc1ccc(S(=O)(=O)C(F)(F)F)cc1 35233204 RCFMOAMDBYTOJW-UHFFFAOYSA-N 239.218 2.022 0 30 BEAC CCOC(=O)c1cncc2ccccc12 39234133 HCDIGYUDSWUAFZ-UHFFFAOYSA-N 201.225 2.412 0 30 BEAC Cn1ncc2ccc(F)c(Br)c21 75842660 HYYMWKGVZGNVER-UHFFFAOYSA-N 229.052 2.475 0 30 BEAC NC(=S)Cc1cc(F)cc(Cl)c1 83344074 SLCOJXBBTQRVFN-UHFFFAOYSA-N 203.669 2.308 0 30 BEAC Fc1cncc(-c2ccnc(Cl)n2)c1 85788987 FXXSHJYMXRROON-UHFFFAOYSA-N 209.611 2.331 0 30 BEAC Cc1cn2cc(Br)sc2n1 238553785 GVKMBGJERMFABS-UHFFFAOYSA-N 217.091 2.467 0 30 BEAC Cc1ccc(Oc2c(C)nc(C)[nH]c2=O)cc1 13469634 HMZSAPINSHBUFQ-UHFFFAOYSA-N 230.267 2.487 0 30 BEAC CCC[C@@H]1CNCCN1Cc1ccccc1 82926845 KFDXSJIZRCQBIZ-CQSZACIVSA-N 218.344 2.261 0 30 BEAC in-vitro N[C@@H](c1cnccc1Cl)C(F)(F)F 95761369 PGGYGKSJEXQAQS-LURJTMIESA-N 210.586 2.297 0 30 BEAC C[C@H]1C[C@H](CCNC(=O)OC(C)(C)C)CCN1 217120766 IAIZJKYUFUMGRL-QWRGUYRKSA-N 242.363 2.289 0 30 BEAC NOCc1cccc(C(F)(F)F)c1F 238595946 VTUSUNXKQVRGPS-UHFFFAOYSA-N 209.142 2.235 0 30 BEAC NCc1cccc(-c2cc(F)cc(F)c2)n1 259074126 CDDMXCVJGYWQNS-UHFFFAOYSA-N 220.222 2.486 0 30 BEAC CCOC(=O)c1ccccc1[C@@H](C)NC 261113158 GKCYIZUBTVKSFL-SECBINFHSA-N 207.273 2.144 0 30 BEAC CC(C)(C)N1CC(=O)Nc2ccccc21 86158642 YZDRHJVNYYZJHK-UHFFFAOYSA-N 204.273 2.244 0 30 BEAC in-vitro Clc1cnc2nc(Cl)nc(Cl)c2n1 95774780 JXMYRANHRVQQRK-UHFFFAOYSA-N 235.461 2.380 0 30 BEAC COC(=O)c1nsc2ccc(OC)cc12 238367526 KNUAAKYINZNFGJ-UHFFFAOYSA-N 223.253 2.092 0 30 BEAC CC[C@]12CO[C@@H](C(C)C)N1[C@@H](C(C)C)OC2 252022188 ZFNYRUONSKXJOW-ITGUQSILSA-N 227.348 2.462 0 30 BEAC CCc1c[nH]c2c(N)cc(C(=O)OC)cc12 45806299 OXERBZQPYKPVFA-UHFFFAOYSA-N 218.256 2.099 0 30 BEAC O=S1(=O)C=Cc2c(Br)cccc21 204978948 RLNONUAGBUYQNF-UHFFFAOYSA-N 245.097 2.207 0 30 BEAC CC(C)(C)[C@H]1CCc2[nH]c(=O)c(C(=O)O)cc2C1 43404540 VOAGGJZHOBSMQC-VIFPVBQESA-N 249.310 2.224 0 30 BEAC N[C@H](c1cnccc1Cl)C(F)(F)F 95761370 PGGYGKSJEXQAQS-ZCFIWIBFSA-N 210.586 2.297 0 30 BEAC CCOP(=O)(Cc1ccnn1C)OCC 220485924 JZGPNLJWFFGNJK-UHFFFAOYSA-N 232.220 2.186 0 30 BEAC Cc1cc(Cl)c(CN)nc1Br 2265384523 PDAFFQMOQOUUBC-UHFFFAOYSA-N 235.512 2.265 0 30 BEAC C[C@H]1CN(CC(=O)c2ccccc2)C[C@@H]1C 39109878 GRSOHFFQZNBUTE-RYUDHWBXSA-N 217.312 2.457 0 30 BEAC C[C@H]1CN(Cc2ccc(F)cc2)[C@@H](C)CN1 62611064 VWFLVEICKAOIRL-QWRGUYRKSA-N 222.307 2.008 0 30 BEAC CC(C)(C)OC(=O)Nc1ccc(O)c(N)c1 306525354 PUVSBJCUNXOXNN-UHFFFAOYSA-N 224.260 2.321 0 30 BEAC CCN(CC)C(=O)[C@@]12CC[C@@H](CC1=O)C2(C)C 33827581 UXQKXOSBUOCFTG-IINYFYTJSA-N 237.343 2.250 0 30 BEAC CCCCC[C@H](COC(C)=O)OC(C)=O 34109847 PRVSFXXXZBBTJY-LLVKDONJSA-N 216.277 2.062 0 30 BEAC NCCc1c(F)ccc(Br)c1F 75845464 NGSXXLGUCXZORG-UHFFFAOYSA-N 236.059 2.229 0 30 BEAC CC(C)(C)OC(=O)N[C@H]1CCC[C@](C)(O)C1 217776069 MMMVAIAUVIUSBN-CABZTGNLSA-N 229.320 2.205 0 30 BEAC CCn1ncc2ncc(Br)cc21 220484907 IVGFDSPYGHYBDR-UHFFFAOYSA-N 226.077 2.214 0 30 BEAC O=C(N[C@H]1CC[C@@H](CO)C1)OCc1ccccc1 221424904 FDKXYQLCKKQFKQ-OLZOCXBDSA-N 249.310 2.074 0 30 BEAC Cc1cc(Cl)nc(CN)c1Br 238517396 YJMZQIDKFWAGDW-UHFFFAOYSA-N 235.512 2.265 0 30 BEAC C1CN(C[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)CCN1 2265291689 KSLFCNYWGLDEGU-BIQWYFBQSA-N 234.387 2.108 0 30 BEAC CCCc1cc(=O)c2c(O)ccc(OC)c2o1 133022 IMWHGHMJKDTCCP-UHFFFAOYSA-N 234.251 2.460 0 30 BEAC C[C@@](O)(CCO)C12CC3CC(CC(C3)C1)C2 4321839 AYTFFACXPPDYFK-JEFIIJIESA-N 224.344 2.336 0 30 BEAC C[C@H](N)c1nnc(-c2ccccc2F)s1 83320365 IYTIWZFFDCPUTA-LURJTMIESA-N 223.276 2.364 0 30 BEAC in-vitro CC(=O)SC[C@@](C)(C(=O)O)c1ccccc1 205462527 BSUFIEDALPLRRQ-GFCCVEGCSA-N 238.308 2.309 0 30 BEAC COC(=O)C1CC[C@@H]2[C@@H](CC1)C2(F)F 1535539272 USHAFHHHKFOPDR-HTQZYQBOSA-N 204.216 2.231 0 30 BEAC O=c1[nH]c(-c2ccccc2)nn1-c1ccccc1 15444208 QULVOSFFSAYNEF-UHFFFAOYSA-N 237.262 2.228 0 30 BEAC Cc1ccc(CS[C@H]2NC[C@H](C)N2)cc1C 19324358 KNDMIDHJXJKVOC-AAEUAGOBSA-N 236.384 2.402 0 30 BEAC CCc1c(CN(C)C)cccc1OC(C)=O 34153959 KCKLKYSVKSSGAB-UHFFFAOYSA-N 221.300 2.236 0 30 BEAC COc1cc(C2(C(=O)O)CC2)ccc1Cl 84500154 HMAIOQOQPGCPKW-UHFFFAOYSA-N 226.659 2.465 0 30 BEAC C[C@@]1(c2ccc(F)c(C(=O)O)c2)CCO1 958692248 UABYGTWYMFAXBJ-NSHDSACASA-N 210.204 2.159 0 30 BEAC O=C(O)C[C@@H]1CC(=O)c2ccccc2S1 33890528 WSBIMPCUMHJQCO-ZETCQYMHSA-N 222.265 2.208 0 30 BEAC C[C@@H](C(=O)O)c1cccc(Br)n1 83326723 HFAZXRKSBKAZBQ-RXMQYKEDSA-N 230.061 2.032 0 30 BEAC COc1ccc([C@@H]2CNCC[C@@H]2C)cc1 85442499 UCCQBWFBKQDRLG-GXFFZTMASA-N 205.301 2.408 0 30 BEAC N[C@H]1CCCc2ncc(Br)cc21 215580614 GQKHFQLFZPLZAB-QMMMGPOBSA-N 227.105 2.180 0 30 BEAC C[C@H]1CC(=O)CCN(C(=O)OC(C)(C)C)C1 220129892 JMFPRWWXAUWYLJ-VIFPVBQESA-N 227.304 2.223 0 30 BEAC COc1nc(Cl)ccc1CCCC(=O)O 1536192432 QKIWWCQOZSLBHV-UHFFFAOYSA-N 229.663 2.151 0 30 BEAC COCC1(N)CC(C[Si](C)(C)C)C1 2265384785 YKERAKKXEXGTQH-UHFFFAOYSA-N 201.386 2.079 0 30 BEAC CCCn1cc(C(=O)O)c(=O)c2ccsc21 35570354 HFQPWJKCDWCZEP-UHFFFAOYSA-N 237.280 2.171 0 30 BEAC CC1(CNC(=O)OC(C)(C)C)CCC(N)CC1 725343666 LTEYLHCCEVUHFY-UHFFFAOYSA-N 242.363 2.419 0 30 BEAC O[C@@H]1C=Cc2c(ccc3ccccc23)[C@H]1O 6118261 FZOALBNXOKAOEW-ZIAGYGMSSA-N 212.248 2.261 0 30 BEAC biogenic,in-vitro CCOC(=O)/C=C\C(Cl)(Cl)Cl 17313611 IZIBACDHNNVHQA-ARJAWSKDSA-N 217.479 2.476 0 30 BEAC CN1CCCC[C@H](c2cccc(O)c2)C1=O 36405312 IBNKFKLIUOMAQB-GFCCVEGCSA-N 219.284 2.118 0 30 BEAC CC(C)(C)[C@H]1Nc2ccccc2NC1=O 43022535 RNKYEILWJKRRQH-JTQLQIEISA-N 204.273 2.465 0 30 BEAC COc1cccc(Oc2ncccn2)c1 45817401 MJEFVXVAVQYJDI-UHFFFAOYSA-N 202.213 2.278 0 30 BEAC CCOCC(=O)Cc1ccc(F)cc1F 84062832 JRMLXDDSGNGANX-UHFFFAOYSA-N 214.211 2.113 0 30 BEAC C[C@@H]1C[C@@H](CC(=O)O)CN1C(=O)OC(C)(C)C 211606270 XKBYUNHRBFIONS-BDAKNGLRSA-N 243.303 2.107 0 30 BEAC CC(=O)[C@@H]1CCCN(c2ccc(F)cc2)C1=O 1535191185 VKKFERLCLJYWAI-LBPRGKRZSA-N 235.258 2.158 0 30 BEAC COc1cc(OC)cc(C2(F)CCNCC2)c1 126662195 RIVNPKUTODTOEU-UHFFFAOYSA-N 239.290 2.252 0 30 BEAC C[C@H]1C[C@H](CCN)CCN1C(=O)OC(C)(C)C 211603429 SEDVWISXOJNMEA-WDEREUQCSA-N 242.363 2.371 0 30 BEAC CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CCCN2 685945599 WSMAXRYYFOMQSC-GXFFZTMASA-N 240.347 2.043 0 30 BEAC C[C@]1(c2ccc(F)c(C(=O)O)c2)CCO1 958692247 UABYGTWYMFAXBJ-LLVKDONJSA-N 210.204 2.159 0 30 BEAC CC[C@]1(C)C[C@@H](NC(=O)OC(C)(C)C)CN1 2265383663 MNKCVIPXCLYZQU-BXKDBHETSA-N 228.336 2.042 0 30 BEAC NC1=NC[C@@H](c2ccc(C(F)(F)F)cc2)O1 318 NMGYDYBWRZHLHR-QMMMGPOBSA-N 230.189 2.091 0 30 BEAC in-man CN(C)C[C@H](N)c1cccc(C(F)(F)F)c1 23069859 FXOGIUBNPMYFMF-JTQLQIEISA-N 232.249 2.267 0 30 BEAC Cc1ccc(-c2nn(C)cc2C=O)cc1 31885588 IBUHXEBPFFEKQS-UHFFFAOYSA-N 200.241 2.208 0 30 BEAC COC(=O)c1sc(-c2cccnc2)cc1N 36929252 PHGKBPCNBWSRJB-UHFFFAOYSA-N 234.280 2.179 0 30 BEAC CC(=O)Nc1ccc2c(c1)C(=O)CCS2 39040287 XFKLANBYXQTVOX-UHFFFAOYSA-N 221.281 2.324 0 30 BEAC CCOC(=O)c1csc(-c2cc(C)on2)n1 123732 KEJQOOHKWIDPHE-UHFFFAOYSA-N 238.268 2.283 0 30 BEAC CCOC(=O)CCc1cc(F)cc(F)c1 34497548 RJPFVVQBZAJMKV-UHFFFAOYSA-N 214.211 2.461 0 30 BEAC CN(C(=O)CF)c1nc2ccccc2s1 45237772 HCUVEZGJCMMZEE-UHFFFAOYSA-N 224.260 2.229 0 30 BEAC O=C(O)[C@H]1COc2ccc(C(F)(F)F)cc2C1 72232726 AZFXPCVSJPFNRV-SSDOTTSWSA-N 246.184 2.341 0 30 BEAC CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1CO 84319135 VCIBBCGSWUMTGW-QWRGUYRKSA-N 243.347 2.310 0 30 BEAC O=C(O)C1(c2ccncc2)CC2(CCC2)C1 87618274 DBICNQMZRQSCLP-UHFFFAOYSA-N 217.268 2.368 0 30 BEAC CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CCC1=O 135069304 HDIUBHOAPBQOFW-SNVBAGLBSA-N 241.331 2.469 0 30 BEAC FC1(F)C[C@@H]1n1cc(Br)cn1 958719519 LQGZSBKEMJDIKV-YFKPBYRVSA-N 223.020 2.226 0 30 BEAC CC(=O)Nc1ccc(Oc2cccnc2)nc1 92818 UQEVHOZHVFVOBV-UHFFFAOYSA-N 229.239 2.227 0 30 BEAC CCOc1ccc2nc(NN)c(C)cc2c1 11634003 SNNDBPHFIOGBGQ-UHFFFAOYSA-N 217.272 2.228 0 30 BEAC NC(=O)c1ncccc1/C=C/c1ccccc1 44712528 SIQJPDGKKMVRIH-CMDGGOBGSA-N 224.263 2.351 0 30 BEAC CC1(C)C[C@H](CN)CN(C(=O)OC(C)(C)C)C1 258355379 VFWAFEPLRDWSEU-SNVBAGLBSA-N 242.363 2.228 0 30 BEAC Nc1ccccc1SC[C@@H](O)C(F)(F)F 6548364 AAOGCBBNMYTQGP-MRVPVSSYSA-N 237.246 2.284 0 30 BEAC CNCc1nc2ccccc2n1C(F)F 8708125 JHWMYJSMCLKAGA-UHFFFAOYSA-N 211.215 2.151 0 30 BEAC OCCNc1ccc(F)c(C(F)(F)F)c1 40712867 QEPDFMREISJJPR-UHFFFAOYSA-N 223.169 2.249 0 30 BEAC CC(C)[C@H]1CN(c2ccccc2)CCN1 83059934 PAGHICNGHPHTLW-CYBMUJFWSA-N 204.317 2.121 0 30 BEAC in-vitro CC(=O)C(C(C)=O)C(=O)O[C@@H](C)c1ccccc1 111897335 ZXBGGHFUQBYYGQ-NSHDSACASA-N 248.278 2.085 0 30 BEAC COc1cc(Cl)cc(Cl)c1NN 33610212 RSXGDQAKGGEHBX-UHFFFAOYSA-N 207.060 2.288 0 30 BEAC CNC(=O)Oc1cccc([C@H](C)N(C)C)c1 967934 KQOUPMYYRQWZLI-VIFPVBQESA-N 222.288 2.027 0 30 BEAC biogenic,in-vitro COc1ccc(OC)c([C@H](O)C(C)C)c1 32012374 QEUSADCXJYHFBM-GFCCVEGCSA-N 210.273 2.393 0 30 BEAC CCCCOC(=O)CCOC(=O)CCC 38652467 ZNEZWMOQTITMOQ-UHFFFAOYSA-N 216.277 2.063 0 30 BEAC CC(C)(C)OC(=O)NC(=N)c1cccc(C=O)c1 40443259 SSCJFQRKPGHZGU-UHFFFAOYSA-N 248.282 2.349 0 30 BEAC Cc1cc(F)ccc1C(F)(F)C(=O)O 52232645 DMPVZKDYYRYKAG-UHFFFAOYSA-N 204.147 2.311 0 30 BEAC COc1ccc(C=Cc2ccc(O)nn2)cc1 2265356133 UVMVSZYSDAZBBI-UHFFFAOYSA-N 228.251 2.361 0 30 BEAC CC(=O)c1nnn(-c2c(F)cccc2F)c1C 138864 REGTZFPGYVLCFZ-UHFFFAOYSA-N 237.209 2.057 0 30 BEAC C[C@@](O)(C(=O)O)c1ccc(Cl)c(Cl)c1 2033454 SITLKJHBGQMYGI-VIFPVBQESA-N 235.066 2.286 0 30 BEAC CC(C)(C)OC(=O)NCc1coc(C(=O)O)c1 22014293 RMDJBDOVGOCZJZ-UHFFFAOYSA-N 241.243 2.003 0 30 BEAC COc1cc(Br)ccc1C(N)=S 83374693 MTUPGMWLRQQLKY-UHFFFAOYSA-N 246.129 2.092 0 30 BEAC CC1(C)C[C@H](CO)CN(C(=O)OC(C)(C)C)C1 258248560 MJXVHDHLCLSACT-JTQLQIEISA-N 243.347 2.262 0 30 BEAC C[C@H](CCNC(=O)OC(C)(C)C)CC(=O)O 307399705 AIFZSFJWHNNJFA-MRVPVSSYSA-N 231.292 2.012 0 30 BEAC COC(=O)C(C)=Cc1ccc([N+](=O)[O-])cc1 2515976 PSKQMOVEPBBTCO-UHFFFAOYSA-N 221.212 2.171 0 30 BEAC O=c1[nH]cc(-c2ccccc2Br)[nH]1 42750026 ZEAYTDNEHXURNE-UHFFFAOYSA-N 239.072 2.133 0 30 BEAC CN(C[C@H]1CCC[C@H](N)C1)C(=O)OC(C)(C)C 211288969 AJLFJNFEZGEOCQ-QWRGUYRKSA-N 242.363 2.371 0 30 BEAC Cc1c(Br)nc(Cl)n1C 2265383730 YDUSBCMIGVOVEX-UHFFFAOYSA-N 209.474 2.144 0 30 BEAC CCS(=O)(=O)c1cccc2cccnc12 39140502 KIVAQTZNTPQGBY-UHFFFAOYSA-N 221.281 2.028 0 30 BEAC CC1(c2ccc(Cl)cc2)CC(=O)NC(=O)C1 57529126 WKPKSOMBZAQNLC-UHFFFAOYSA-N 237.686 2.034 0 30 BEAC in-vitro COC(=O)[C@H]1c2ccccc2C(=O)C1(C)C 79166834 RPMBVQRHROMPEA-SNVBAGLBSA-N 218.252 2.166 0 30 BEAC Cc1nc(N)nc(CSc2ccccc2)n1 126700 CLXUHVLTSDDIKQ-UHFFFAOYSA-N 232.312 2.055 0 30 BEAC Cc1cc(C)cc(-c2cc(CN)on2)c1 69970204 SZLKZVPHFUJXHL-UHFFFAOYSA-N 202.257 2.417 0 30 BEAC COc1nc(Cl)cc(C(F)(F)F)n1 71864112 OTBLDCFXGDXHEW-UHFFFAOYSA-N 212.558 2.157 0 30 BEAC Brc1ccccc1C[C@@H]1CO1 196283189 JZRUNNCPHWHUKL-MRVPVSSYSA-N 213.074 2.390 0 30 BEAC COCc1cc2ncccc2n1C1CCNCC1 607717055 RPRBUVHZVYHHHC-UHFFFAOYSA-N 245.326 2.107 0 30 BEAC CN(C(=O)OCc1ccccc1)[C@H]1CCCCN1 54965263 QJBVAVPQTNRWIH-ZDUSSCGKSA-N 248.326 2.355 0 30 BEAC C[C@@H](C(=O)O)c1ccc2ccccc2n1 83283715 UWDXHCLGEQDQJM-MRVPVSSYSA-N 201.225 2.423 0 30 BEAC in-vitro CCCc1ccc(CS(C)(=O)=O)cc1 620231922 YXNIWRGIMFEQEH-UHFFFAOYSA-N 212.314 2.184 0 30 BEAC CCc1ccc(S(=O)(=O)O)c(CC)c1 33605236 AMUGDZXUAMBOOT-UHFFFAOYSA-N 214.286 2.058 0 30 BEAC COc1ccc(F)cc1-c1ccc(CO)cn1 39927634 GXUATMLLSRMYMW-UHFFFAOYSA-N 233.242 2.389 0 30 BEAC OCc1cc(-c2cccnc2)ccc1F 47213093 XRDOTYAOHWZBES-UHFFFAOYSA-N 203.216 2.380 0 30 BEAC O=C(O)c1cc2ccc(Cl)cc2c(=O)o1 125276519 FDZURHDSSZVLJF-UHFFFAOYSA-N 224.599 2.145 0 30 BEAC COC(=O)c1cccc(OC(F)F)c1F 238404173 NJFVPSLNBSLJSS-UHFFFAOYSA-N 220.146 2.214 0 30 BEAC in-vitro O=C1CCc2cc(O)cc(Br)c2N1 257980781 WWFYYLOVQJZNMT-UHFFFAOYSA-N 242.072 2.039 0 30 BEAC O=C(O)CC[C@H]1NCCc2c1[nH]c1ccccc21 38643839 XIAYIHRUXVWWSD-GFCCVEGCSA-N 244.294 2.220 0 30 BEAC Cc1nc(NN)sc1-c1ccccc1 39105405 UYZFHFIIWVZFNB-UHFFFAOYSA-N 205.286 2.404 0 30 BEAC CC(C)S(=O)(=O)c1c(N)cccc1Cl 84039659 VITISNUAFCEGKL-UHFFFAOYSA-N 233.720 2.104 0 30 BEAC in-vitro O=C(c1ccc(O)c(F)c1)C(F)(F)F 106363901 MKAKZXHOKCUZMN-UHFFFAOYSA-N 208.110 2.276 0 30 BEAC CC(C)(C)OC(=O)NCC1(CCO)CCC1 127388592 XRRWKCGGNVLPKV-UHFFFAOYSA-N 229.320 2.064 0 30 BEAC CC[C@H](C)OC(=O)C(C)C(=O)O[C@@H](C)CC 143164856 ABPVWWMYGHRRLR-IUCAKERBSA-N 230.304 2.306 0 30 BEAC OC[C@H](CNCc1ccccc1)C1CCC1 252519081 AWOGZSFUBQHNIB-AWEZNQCLSA-N 219.328 2.185 0 30 BEAC in-vitro Nc1ccc(C(F)(F)F)c(Br)n1 307266222 GMPPUWGOVPVSOI-UHFFFAOYSA-N 241.010 2.445 0 30 BEAC Oc1cccc(-c2cc(O)cc(O)c2)c1 5785175 ZWJMMZAKZQPIHD-UHFFFAOYSA-N 202.209 2.470 0 30 BEAC O=C(Nc1cccnn1)Oc1ccccc1 40449705 QPZCSARPVJAGQW-UHFFFAOYSA-N 215.212 2.088 0 30 BEAC CO[C@H](c1ccccc1Cl)[C@@H](C)NO 95347599 RKXBNTAHBSGATO-XCBNKYQSSA-N 215.680 2.395 0 30 BEAC in-vitro FC(F)(F)[C@@H]1CNCc2ccccc21 214274365 MYLHWAPUKOBFOT-SECBINFHSA-N 201.191 2.436 0 30 BEAC CCCC1=C(c2ccccc2)C(=O)NC1 132475 RIPUPTQXGKZTOD-UHFFFAOYSA-N 201.269 2.370 0 30 BEAC O=c1[nH]/c(=N\c2ccccc2)oc2ccccc12 13658701 NDHHRLYSIAEHKJ-UHFFFAOYSA-N 238.246 2.354 0 30 BEAC COC[C@H](OC)[C@@H](OC)c1ccccc1 32144238 RTHWDOKITCVVIH-RYUDHWBXSA-N 210.273 2.036 0 30 BEAC CC(=O)N[C@H](C)c1nc2ccccc2s1 45238142 VWYVPJTYRVPWLY-SSDOTTSWSA-N 220.297 2.493 0 30 BEAC CC(C)(C(=O)O)c1cc(F)cc(F)c1 49351246 AJWWDMCHVOGPHR-UHFFFAOYSA-N 200.184 2.327 0 30 BEAC Cc1cc(C(=O)C(F)(F)F)ccc1O 107709689 WZUCXUXYCAUSQG-UHFFFAOYSA-N 204.147 2.446 0 30 BEAC CC(=O)[C@H](N)c1ccc(OC(C)C)cc1 238156184 AMRCNAPLXGGLFC-LBPRGKRZSA-N 207.273 2.063 0 30 BEAC O=C(c1ccccc1)N1c2ccccc2C[C@H]1O 96328223 KDAUSFJNCBMMDE-CQSZACIVSA-N 239.274 2.208 0 30 BEAC CC(C)(C)OC(=O)N1CCC(C)(C)[C@H](CN)C1 950757142 ADUMKRQRWXUZEM-SNVBAGLBSA-N 242.363 2.228 0 30 BEAC CCC[C@H](OC(=O)C(C)C)[C@H](CC)CO 32218654 SXNNFRPGPOKUEN-MNOVXSKESA-N 216.321 2.373 0 30 BEAC Cc1c(Cl)cccc1NC(=O)C=NO 379397417 IHHFOAAMOXRQLA-UHFFFAOYSA-N 212.636 2.047 0 30 BEAC O=c1oc(C(F)(F)F)nc2cc(F)ccc12 1535543411 JSFGHNPAYJHJJN-UHFFFAOYSA-N 233.120 2.346 0 30 BEAC O=C(O)c1cc2c(=O)[nH]c3ccccc3c2s1 269832 HJIXEBZEMFGCFM-UHFFFAOYSA-N 245.259 2.441 0 30 BEAC Cc1cc(=O)[nH]c2c1c(-c1ccccc1)nn2C 15919743 CKPRIGVIXZWNSN-UHFFFAOYSA-N 239.278 2.237 0 30 BEAC O=C1COc2cc(OC(F)(F)F)ccc21 95756598 IMGPNDSCWPPZOV-UHFFFAOYSA-N 218.130 2.160 0 30 BEAC [N-]=[N+]=NC[C@H](Cc1cccc(Cl)c1)C(N)=O 200050169 ZHGWAGGISPKMJN-QMMMGPOBSA-N 238.678 2.294 0 30 BEAC COc1ccc2c(c1OC)C[C@H](C)C2=O 21989874 RRGLXSHXUVBPPY-ZETCQYMHSA-N 206.241 2.079 0 30 BEAC COC(=O)c1sc(N2CCCC2)nc1Cl 37472422 TUXAXTXDCQTMKA-UHFFFAOYSA-N 246.719 2.183 0 30 BEAC Cc1cc(Br)c(F)cc1NN 135228486 OBGHHTCBSJCBSE-UHFFFAOYSA-N 219.057 2.182 0 30 BEAC C[Si](C)(C)c1ccc(Br)nc1 196033847 RTWLWJUSMCRNHS-UHFFFAOYSA-N 230.181 2.389 0 30 BEAC CC[C@@H](O)COc1cccc2[nH]ccc12 196084806 UYGYOXLXFWMGFO-SECBINFHSA-N 205.257 2.318 0 30 BEAC Cc1c(Br)ccc2c(N)n[nH]c12 238505517 JZKXBHXTHKDDOE-UHFFFAOYSA-N 226.077 2.216 0 30 BEAC CC(C)(C)c1ccc(-c2nc(N)nc(N)n2)cc1 73973 WMTKYJUMZXLJOV-UHFFFAOYSA-N 243.314 2.001 0 30 BEAC Cc1ncc2c(c1O)CO[C@@H](C(C)C)OC2 88432 JTDBGJWBSDBUQB-LBPRGKRZSA-N 223.272 2.125 0 30 BEAC Cn1nc(-c2ccc(C(C)(C)C)cc2)[nH]c1=O 164640 CWILELMBPRKDLT-UHFFFAOYSA-N 231.299 2.073 0 30 BEAC CC(C)C(=O)OC[C@H](C)[C@@H](O)C(C)(C)C 32218790 WXFRFCWHHBELIH-VHSXEESVSA-N 216.321 2.229 0 30 BEAC CCCCCOCCOCCOCC 60206918 HQDGQKLBDFTNEM-UHFFFAOYSA-N 204.310 2.246 0 30 BEAC Cn1ccnc1C(=O)c1nccc2ccccc12 69473328 MCLYURKTWYRKJK-UHFFFAOYSA-N 237.262 2.199 0 30 BEAC in-vitro Clc1ccccc1-c1noc(C2CNC2)n1 86194448 PDAQUNGQNLWHTD-UHFFFAOYSA-N 235.674 2.077 0 30 BEAC F/C(=C\I)C(F)F 217528237 NPIYAKOYXRAKAR-UPHRSURJSA-N 221.947 2.497 0 30 BEAC in-vitro C[C@@](N)(C(=O)O)[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2 2265340006 OHCPNQDNUJAIFU-IFHCSVGRSA-N 223.316 2.005 0 30 BEAC CC(=O)c1ccc2c(c1)C=C[C@@](C)(CO)O2 13373073 RTFMELNIBACUEH-ZDUSSCGKSA-N 218.252 2.046 0 30 BEAC biogenic O=S1(=O)c2ccccc2Cc2ccccc21 3205026 XEIVFUWZYMWLEP-UHFFFAOYSA-N 230.288 2.424 0 30 BEAC CCc1cccc(C)c1N1C(=O)COC[C@H]1C 5956594 DVBDYPDVNRJKNJ-LLVKDONJSA-N 233.311 2.309 0 30 BEAC biogenic,in-vitro Cc1cc(C[C@@H]2CCCCCN2)ccn1 6792923 WUZGNRMAWBTSDY-ZDUSSCGKSA-N 204.317 2.465 0 30 BEAC CN[C@H]1CCO[C@H](c2ccc(F)cc2)C1 69851524 NXQJSVOBTWNAFS-RYUDHWBXSA-N 209.264 2.265 0 30 BEAC in-vitro COc1ccc([C@@H]2CCCNC2)cc1C 38539217 SQSVGMGTIAOIPK-GFCCVEGCSA-N 205.301 2.471 0 30 BEAC C[C@@H]1Oc2cc(Br)ccc2C1=O 110286397 YQTJQLJMLPOWCW-YFKPBYRVSA-N 227.057 2.413 0 30 BEAC Cc1cncc(OCc2ccccc2)n1 238493116 QWJSMXALZAKZGF-UHFFFAOYSA-N 200.241 2.364 0 30 BEAC COc1c(Br)ccc(N)c1C 306331187 PULNDSKLGXKZCA-UHFFFAOYSA-N 216.078 2.348 0 30 BEAC CC(C)(C)OC(=O)N1CC[C@](CO)(C2CC2)C1 307689787 NQRFGMAVEFIJMN-ZDUSSCGKSA-N 241.331 2.016 0 30 BEAC COC(OC)Oc1ccc(Cl)cc1 201152499 SRFJRABJGPZJKK-UHFFFAOYSA-N 202.637 2.295 0 30 BEAC O=C(O)c1cc(C(F)(F)C(F)(F)F)on1 1535534480 JULSBTYEBXILLR-UHFFFAOYSA-N 231.076 2.027 0 30 BEAC Nc1c2c(nc3sccc13)CCC[C@H]2O 3776854 UZNAAHINFAAICY-MRVPVSSYSA-N 220.297 2.248 0 30 BEAC O=C(O)CCc1ccc2ncsc2c1 31887422 JAPBOTLLCLRBEV-UHFFFAOYSA-N 207.254 2.314 0 30 BEAC OCc1ccn(CCc2ccccc2)c1 85589084 JUXHBFSZLPJYJB-UHFFFAOYSA-N 201.269 2.223 0 30 BEAC CCN(C)C(=O)Oc1ccc2c(c1)[C@H](O)CC2 139605971 NOPXLIWXAIHZBJ-GFCCVEGCSA-N 235.283 2.117 0 30 BEAC CC(C)(O)c1ccc(Br)cc1O 149512810 WCKADTCJGQXVHY-UHFFFAOYSA-N 231.089 2.382 0 30 BEAC CC(C)(C)OC(=O)c1cccc2c1CNC2 253188656 XFSLQFZZKKHFJF-UHFFFAOYSA-N 219.284 2.245 0 30 BEAC COc1cc(Cl)cc([C@@H](C)O)c1OC 16697487 SSWSVUDBJHGMQN-ZCFIWIBFSA-N 216.664 2.411 0 30 BEAC N[C@@H]1c2ccccc2CC[C@@H]1N1CCCC1 20260083 PMDGVUJWHYIPGG-UONOGXRCSA-N 216.328 2.097 0 30 BEAC C1=Nc2cc3cc4c(cc3cc2=C1)SCN=4 45236129 JWOOZLFGZZGGCW-UHFFFAOYSA-N 224.288 2.019 0 30 BEAC Cc1ccc2oc(-c3nnc(S)n3N)cc2c1 42894017 CXFZPSOLQNRQHU-UHFFFAOYSA-N 246.295 2.002 0 30 BEAC in-vitro Nc1ccc2nc(-n3ccnc3)sc2c1 63104762 LVELDZDMOXTOHR-UHFFFAOYSA-N 216.269 2.064 0 30 BEAC in-vitro Cc1cc(N)nn1CCCOc1ccc(F)cc1 67799278 SMFYONAEJHSGNO-UHFFFAOYSA-N 249.289 2.382 0 30 BEAC in-vitro CO[C@H](c1ccccc1Cl)[C@H](C)NO 95347598 RKXBNTAHBSGATO-XVKPBYJWSA-N 215.680 2.395 0 30 BEAC in-vitro CCOC(=O)c1c(N)sc2cccnc12 95616566 ATWCWWHTHRMICU-UHFFFAOYSA-N 222.269 2.055 0 30 BEAC COc1cc2c(Cl)cc[nH]c-2cc1=O 148835674 KFVNRVYYEBTMAV-UHFFFAOYSA-N 209.632 2.142 0 30 BEAC CC(C)(C)CN1CC(C(=O)O)=CC=C1Cl 198862226 XYBYHLQGRGMWCF-UHFFFAOYSA-N 229.707 2.439 0 30 BEAC CC(=O)O[C@H]1CO[C@@H](c2ccccc2)C1 223760775 WVLNGJLSAOPEFZ-VXGBXAGGSA-N 206.241 2.080 0 30 BEAC CC(=O)CSc1nc(-c2cccs2)n[nH]1 1047203 DRGPJOLPQZHTJN-UHFFFAOYSA-N 239.325 2.214 0 30 BEAC COCC(=O)c1cccc2ncccc12 88100968 SMKPJHNVOWKROU-UHFFFAOYSA-N 201.225 2.064 0 30 BEAC in-vitro CC(=O)S[C@@H]1CCN(C(=O)OC(C)(C)C)C1 113016559 KYLJPUGKGHFDOL-SECBINFHSA-N 245.344 2.276 0 30 BEAC CCCCCOB1O[C@@H](C)C[C@@H](C)O1 195772047 UFPFSELYFQQVMK-AOOOYVTPSA-N 200.087 2.392 0 30 BEAC NC(=S)c1cscc1C(F)(F)F 1535645275 UJUCCVFLBQMXCQ-UHFFFAOYSA-N 211.233 2.401 0 30 BEAC Cc1cc(NC(=O)N(C)C)nn1-c1ccccc1 75631 RCQXZXNTECZODQ-UHFFFAOYSA-N 244.298 2.274 0 30 BEAC Cc1ccccc1C(=O)C=C1SCC(=O)N1C 3888196 YSQSLFIVXOKSGK-UHFFFAOYSA-N 247.319 2.224 0 30 BEAC COc1cc2c(cc1OC)C[C@H](C)N=C2 4262286 JPRGVFYGQHOMSM-QMMMGPOBSA-N 205.257 2.067 0 30 BEAC CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1C(=O)O 84304378 QQBDACXOPPCASC-RKDXNWHRSA-N 243.303 2.012 0 30 BEAC CN(C)C=C1SC(=O)c2ccccc21 1385862 RWXKBXGDRRFSFU-UHFFFAOYSA-N 205.282 2.434 0 30 BEAC Cc1nc(/C=C2\C(=O)Nc3ccccc32)c[nH]1 4302695 XVZIHQVGGWLINC-WDZFZDKYSA-N 225.251 2.211 0 30 BEAC CCN(CC)c1cnc(Br)cn1 44117719 FPJSTJXRYOXZJY-UHFFFAOYSA-N 230.109 2.085 0 30 BEAC CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CCCN2 685945600 WSMAXRYYFOMQSC-MFKMUULPSA-N 240.347 2.043 0 30 BEAC Cc1ccc(NC(=S)NN(C)C)cc1C 98282 BGMHILYGMVEYSR-UHFFFAOYSA-N 223.345 2.066 0 30 BEAC CCOC(=O)Cc1ccc(OCC)c(OC)c1 33607027 DQCZXRSORTVWEK-UHFFFAOYSA-N 238.283 2.200 0 30 BEAC Brc1cccc(-n2ccnc2)n1 44117702 WVRRNPCZPYDPPW-UHFFFAOYSA-N 224.061 2.030 0 30 BEAC CC[C@H](C)OC(=O)CC(=O)O[C@@H](C)CC 5925009 QQXQNPKZBSJJTA-IUCAKERBSA-N 216.277 2.060 0 30 BEAC Nc1ccccc1NCCc1ccccn1 20381338 NIDHVLJWXQSUDI-UHFFFAOYSA-N 213.284 2.318 0 30 BEAC in-vitro O=C1OCC2(CCCC2)N1c1ncccc1F 98096604 XJTGLWUGVPHUDN-UHFFFAOYSA-N 236.246 2.490 0 30 BEAC OC[C@@H]1CCCN1c1cccc(O)c1Cl 145820172 CXROCNOZAXIEJM-QMMMGPOBSA-N 227.691 2.007 0 30 BEAC CCOc1ccccc1/C=C1/N=C(C)OC1=O 70617 VHECKYSRBSGJCA-DHZHZOJOSA-N 231.251 2.401 0 30 BEAC CCCCCNCc1c(C)nn(C)c1C 20086743 VAVYKIXDZXAFSK-UHFFFAOYSA-N 209.337 2.317 0 30 BEAC NCc1cnc(Cc2cccc(F)c2)s1 40996543 PKSNLNJVMYUXEY-UHFFFAOYSA-N 222.288 2.332 0 30 BEAC COC(COc1c(C)cccc1C)OC 85351046 FYQURTMVHVDCSH-UHFFFAOYSA-N 210.273 2.301 0 30 BEAC COC(=O)c1cncc(-c2ncccc2C)c1 91351948 PZFOJJDRTRTHHD-UHFFFAOYSA-N 228.251 2.239 0 30 BEAC CCO[C@@H]1C[C@@H](c2ccccc2)C(=O)O1 143254041 UWNOCPOSLHHZDE-QWRGUYRKSA-N 206.241 2.080 0 30 BEAC in-vitro Cc1cccc(C23CC(C(=O)O)(C2)[C@H]3F)c1 2265384634 CJHXICDKNDMCCV-PKSQDBQZSA-N 220.243 2.449 0 30 BEAC Cc1nn(Cc2ccccc2Cl)c(=N)s1 4323679 SKWFIXCKTLECQV-UHFFFAOYSA-N 239.731 2.434 0 30 BEAC Cc1cccc(-c2nc(C)cc(=O)[nH]2)c1 18066121 ZXVYJKXMMWMUFL-UHFFFAOYSA-N 200.241 2.054 0 30 BEAC C[C@@H]1CCC[C@H](NCCN2CCCC2)C1 20126764 MXLRXCJSLGRAOX-OLZOCXBDSA-N 210.365 2.251 0 30 BEAC O=C1C[C@H](c2ccc(Cl)cc2)CCN1 34600004 IGUKDOUXOGUVSX-SECBINFHSA-N 209.676 2.334 0 30 BEAC COC(=O)c1sc(OC(C)C)nc1Cl 37473374 PYBJQIXSZAXEER-UHFFFAOYSA-N 235.692 2.370 0 30 BEAC in-vitro C[C@H](Oc1cccc(Cl)c1)c1nnc(N)o1 51018270 DMEBAUPNLYOXKK-LURJTMIESA-N 239.662 2.445 0 30 BEAC in-vitro NC1CCC(Oc2ccc(F)cc2)CC1 55144000 PQOUJGMSVPGFRX-UHFFFAOYSA-N 209.264 2.474 0 30 BEAC Clc1cc2c(c(Cl)n1)CCNC2 95774278 PRGJXKSAKCERNA-UHFFFAOYSA-N 203.072 2.034 0 30 BEAC NCCCN1CCCCCCCCCC1=O 140073820 XHMJPUCAZBPBIK-UHFFFAOYSA-N 226.364 2.298 0 30 BEAC CCOC(=O)Nc1cc(C)ccc1C#N 146697513 WIXDOFZRIGCVAB-UHFFFAOYSA-N 204.229 2.435 0 30 BEAC O=C1C[C@H](c2ccc(OC(F)(F)F)cc2)CN1 1536066521 ZSFGOWQNOJUPJV-QMMMGPOBSA-N 245.200 2.189 0 30 BEAC CC(=O)OCC[C@@H]1CC(=O)[C@H](C)C1(C)C 6037232 ODBRWRPMELYFSQ-WCBMZHEXSA-N 212.289 2.191 0 30 BEAC O=C(O)Cc1ccc2ccccc2c1[N+](=O)[O-] 196800323 RVNRTHUGIFJSEH-UHFFFAOYSA-N 231.207 2.375 0 30 BEAC O=[N+]([O-])c1ccc2nn(C(F)F)cc2c1 2654047 RTSXHLUTWDCBPN-UHFFFAOYSA-N 213.143 2.340 0 30 BEAC COc1ccc2snc(C(=O)O)c2c1 40434557 RVPVVAUWMGXUHX-UHFFFAOYSA-N 209.226 2.003 0 30 BEAC Cc1ccc(CN2CCN[C@H](C)C2)c(C)c1 71520992 KDBZHSMPSOCNHF-CYBMUJFWSA-N 218.344 2.097 0 30 BEAC CCOC(=O)C[C@H]1CCC[C@H](OC)C1 98210075 PZGQPIICZWXACX-UWVGGRQHSA-N 200.278 2.145 0 30 BEAC in-vitro Nc1cnc(Cl)nc1-c1ccccc1 725328074 UWGSTVPSHUMDSV-UHFFFAOYSA-N 205.648 2.379 0 30 BEAC COC(=O)CCNc1ccc(Cl)cc1 79653 HOYJDYNGHUMQFU-UHFFFAOYSA-N 213.664 2.315 0 30 BEAC C[C@H]1CCC[C@@H](NCCN2CCCC2)C1 20126763 MXLRXCJSLGRAOX-QWHCGFSZSA-N 210.365 2.251 0 30 BEAC C=C(C(=O)O)c1ccc(CC(C)(C)O)cc1 22063194 UTFNEPGQCUXCCM-UHFFFAOYSA-N 220.268 2.098 0 30 BEAC in-vitro CC(C)(C)c1ccc(NC(=S)NN)cc1 26514968 RLKQMJZDEMLBLJ-UHFFFAOYSA-N 223.345 2.144 0 30 BEAC CCCCNc1ncccc1C(=O)OC 39087072 SZFFUSBQMUKZTO-UHFFFAOYSA-N 208.261 2.080 0 30 BEAC CC(C)(C)OC(=O)N1CCC[C@H]1C(C)(C)CN 96894285 PMLZXSZOIFHBNS-JTQLQIEISA-N 242.363 2.371 0 30 BEAC Cc1[nH]nc2ccc(Br)nc12 584907006 AWYQHIAEBRKBLC-UHFFFAOYSA-N 212.050 2.029 0 30 BEAC Cn1nc(-c2ccccn2)sc1=S 102514 AIGFIORBVVSAGU-UHFFFAOYSA-N 209.299 2.273 0 30 BEAC CC(=O)c1cccc2cc(C(=O)O)[nH]c12 14985709 HKCBXLRQUQSXEB-UHFFFAOYSA-N 203.197 2.069 0 30 BEAC CCc1cccc2cc(C(=O)O)c(C(=O)O)nc12 32099665 XRZNEVMJJACVIC-UHFFFAOYSA-N 245.234 2.194 0 30 BEAC OCC1(NCc2ccccc2)CCCCC1 38110885 QIIPTPUBRRSXGJ-UHFFFAOYSA-N 219.328 2.471 0 30 BEAC COc1cc(Br)c(N)c(OC)c1 87123870 HDXNPIRMUMFLIC-UHFFFAOYSA-N 232.077 2.049 0 30 BEAC in-vitro COc1nc(Cl)ccc1-c1cnc[nH]1 1536194542 OXRMGWSVANSGCO-UHFFFAOYSA-N 209.636 2.134 0 30 BEAC CCn1c(-c2cccc(N)c2)cnc1C 39100718 KCJJRLQMEDRCQZ-UHFFFAOYSA-N 201.273 2.461 0 30 BEAC CC1=CC(c2ccc(C)cc2)=NN2CCN=C12 39110873 CWDCQQNDDRFNLR-UHFFFAOYSA-N 225.295 2.373 0 30 BEAC Cc1ccn2nc(Cl)nc(Cl)c12 238464685 WZYVAVDRBLIVAC-UHFFFAOYSA-N 202.044 2.345 0 30 BEAC CCC(=O)O[C@@H]1C=C[C@@H]2[C@H]3C=C[C@@H](C3)[C@@H]12 379712408 MIXFYHGXLDJZDK-ZTVLKNOQSA-N 204.269 2.316 0 30 BEAC Cc1cc(-c2onc(C)c2-c2noc(C)n2)no1 122745 AUTNFEHSNVJCAI-UHFFFAOYSA-N 246.226 2.305 0 30 BEAC N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 33426905 NBOULRXVDQMSTM-SSDOTTSWSA-N 214.671 2.017 0 30 BEAC in-vitro O=C(O)[C@H]1CCC[C@H](c2ccccc2)O1 306407176 JJGNIXHMFWWAKF-GHMZBOCLSA-N 206.241 2.381 0 30 BEAC Clc1cc2c(Br)cnc-2[nH]n1 710673611 SFIYDQFNKHPWCW-UHFFFAOYSA-N 232.468 2.325 0 30 BEAC COC(=O)[C@@H]1c2ccccc2C(=O)C1(C)C 79166833 RPMBVQRHROMPEA-JTQLQIEISA-N 218.252 2.166 0 30 BEAC CCOC(=O)c1cc2scc(C=O)c2[nH]1 82294072 DGRIMYRECWHQSR-UHFFFAOYSA-N 223.253 2.219 0 30 BEAC CC(C)(C)OC(=O)Cn1ccc2ccncc21 238790440 QIJIZFVAEGJIOA-UHFFFAOYSA-N 232.283 2.378 0 30 BEAC CC(C)(C)OC(=O)N1CCCCC[C@@H]1O 21991315 YUMNPYZNPVXWGB-VIFPVBQESA-N 215.293 2.116 0 30 BEAC in-vitro CCCC(=O)OC1=NOc2ccccc2N1 71791793 SMXVXFIMFRIZCT-UHFFFAOYSA-N 220.228 2.105 0 30 BEAC O=C(N[C@@H]1C[C@H]1C(F)(F)F)c1ccccc1 634501100 FJQPXBKLJXUQQX-RKDXNWHRSA-N 229.201 2.367 0 30 BEAC O=C(O)c1cc(-c2cccc(F)c2F)on1 84935303 ACAJJSJILVCSRY-UHFFFAOYSA-N 225.150 2.318 0 30 BEAC COc1ccc([C@H]2CNCC[C@@H]2C)cc1 85442495 UCCQBWFBKQDRLG-GWCFXTLKSA-N 205.301 2.408 0 30 BEAC COc1cc2ccncc2c(OC)c1OC 29321795 UPLOKTSIJATUTQ-UHFFFAOYSA-N 219.240 2.261 0 30 BEAC CCCCN(C)S(=O)(=O)c1ccc(C)cc1 32192484 FSRPKWKJORHFCN-UHFFFAOYSA-N 241.356 2.416 0 30 BEAC C[C@H]1C[C@@H](CCNC(=O)OC(C)(C)C)CCN1 217120790 IAIZJKYUFUMGRL-WDEREUQCSA-N 242.363 2.289 0 30 BEAC COc1ccc(Br)nc1C(C)=O 238338955 GGSCBDKCESPTPC-UHFFFAOYSA-N 230.061 2.055 0 30 BEAC O[C@@]1(c2cccc(Br)c2)CCOC1 257948302 CUEDNYRETAOGER-JTQLQIEISA-N 243.100 2.057 0 30 BEAC CSc1nnnn1-c1c(C)cccc1C 72413 FIQQRUWRTMUTHB-UHFFFAOYSA-N 220.301 2.001 0 30 BEAC C[C@H](NC(=S)N=c1cc[nH]cc1)C(C)(C)C 13724788 TYNORQRGVYNOSO-VIFPVBQESA-N 237.372 2.225 0 30 BEAC N[C@H](c1ccccc1)C1(CO)CCCC1 299805617 XPYQFIOWYHKGOX-GFCCVEGCSA-N 205.301 2.239 0 30 BEAC C[C@H]1CCCN[C@H]1CCNC(=O)OC(C)(C)C 307728856 ICACCNRRVDAXDM-QWRGUYRKSA-N 242.363 2.289 0 30 BEAC CC(C)(C)NCC(=O)c1ccc(F)cc1 335621 XPUMPEPISIBJOB-UHFFFAOYSA-N 209.264 2.397 0 30 BEAC CC(=O)Nc1nc2c(N)cc(C)cc2s1 5570658 ZIROPARWINIUEA-UHFFFAOYSA-N 221.285 2.145 0 30 BEAC N[C@@H]1CCc2cc3c(cc2C1)CCCC3 45817189 HMHBKCRUIWPNDF-CQSZACIVSA-N 201.313 2.381 0 30 BEAC Cc1cccc([C@@H](N)C(=O)OC(C)(C)C)c1 685939414 XFZIGNDYHHYZAQ-LLVKDONJSA-N 221.300 2.337 0 30 BEAC CCCc1ccc(N2C(=O)CCC2=O)cc1 100257 PYMRYNXZVZXBNC-UHFFFAOYSA-N 217.268 2.293 0 30 BEAC Cc1ccc(C)c2nc(C(=O)O)c(C(=O)O)cc12 32099492 XCMFJIFTQBKSGC-UHFFFAOYSA-N 245.234 2.248 0 30 BEAC COc1cccc(-c2cccnc2C(=O)O)c1 41250960 QCNGRUOQNGJXJU-UHFFFAOYSA-N 229.235 2.455 0 30 BEAC C[C@H]1[C@H](N)C[C@@H](C)CN1Cc1ccccc1 68593044 MPGWATXLKGPBOP-MBNYWOFBSA-N 218.344 2.244 0 30 BEAC COC(=O)[C@@H]1C=C[C@@H](n2c(C)ccc2C)C1 150242365 UBNQRXPWESAWSF-VXGBXAGGSA-N 219.284 2.395 0 30 BEAC CC(C)c1ncc(Br)n1C 202456353 JYNYCZMDFGQQLY-UHFFFAOYSA-N 203.083 2.306 0 30 BEAC CCCCNC[C@@H](O)CNc1ccc(C)cc1 3636351 LVUIVGRUWGKZII-CQSZACIVSA-N 236.359 2.158 0 30 BEAC C[C@@H](CO)[C@H](N)c1ccc(Br)cc1 85527305 VZFAHARCGRLZCQ-XVKPBYJWSA-N 244.132 2.077 0 30 BEAC N[C@H]1CC[C@@H](C[C@H]2CC[C@@H](N)CC2)CC1 111852001 DZIHTWJGPDVSGE-NGBBIHDVSA-N 210.365 2.412 0 30 BEAC CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CNCC2 211336525 LIGAGWJQAVPQAE-QWRGUYRKSA-N 240.347 2.138 0 30 BEAC Cn1nc(C=O)c2ccc(Br)cc21 215227514 MXUDWXNYCFBEOX-UHFFFAOYSA-N 239.072 2.148 0 30 BEAC COc1ccc(C2(N)CCC(F)(F)CC2)nc1 1536104534 MPEMOMDBLRRQCE-UHFFFAOYSA-N 242.269 2.454 0 30 BEAC O=C(O)c1cnc(OC(F)F)c(Cl)c1 47203180 CNBGKYAQRPORAN-UHFFFAOYSA-N 223.562 2.035 0 30 BEAC O=C1CC(=O)N(c2ccc(C(F)(F)F)cc2)C1 93394609 USAXGWUKTWXWGS-UHFFFAOYSA-N 243.184 2.011 0 30 BEAC CCOC(=O)[C@H](F)C(=O)C1CCCCC1 100089242 NATMEFKNQCUZCZ-SECBINFHSA-N 216.252 2.037 0 30 BEAC CCOC(=O)C(C)(C)c1ccc(O)cc1 147585220 LGBJGTGQZOOSDB-UHFFFAOYSA-N 208.257 2.233 0 30 BEAC COc1cc2c(cc1Br)[C@@H](N)CC2 238392901 GXKHWXDVLJWSSZ-VIFPVBQESA-N 242.116 2.404 0 30 BEAC Cn1ccc(NC(=O)Nc2ccccc2)n1 80653 IUUWNFGQOFOLOE-UHFFFAOYSA-N 216.244 2.064 0 30 BEAC Cc1c(N)cc(N)cc1Cc1ccccc1N 33609120 VYKBWUGQNGMJKN-UHFFFAOYSA-N 227.311 2.332 0 30 BEAC CCc1cc(C(=O)N[C@@H](CC)CO)sc1C 35109630 IFUMHORVGTVDOK-JTQLQIEISA-N 241.356 2.120 0 30 BEAC OCCc1ccc(Br)s1 41215541 IHOCRMPRADFCNM-UHFFFAOYSA-N 207.092 2.045 0 30 BEAC COC(OC)c1ccnn1-c1ccc(F)cc1 72190435 JFXNGDOZWMUVMI-UHFFFAOYSA-N 236.246 2.303 0 30 BEAC C[C@H]1Nc2ccc(Br)cc2NC1=O 86158710 KIVJGGNEHZDPNV-RXMQYKEDSA-N 241.088 2.202 0 30 BEAC CC(C)N(C[C@@H](C)CCCN)C(C)C 96346831 UQHUGCOJGZNFCE-LBPRGKRZSA-N 200.370 2.480 0 30 BEAC CCCCc1cc(O)cc(O)c1C(=O)OC 196572299 CWJSSPNEXCIPSN-UHFFFAOYSA-N 224.256 2.227 0 30 BEAC CCOC(=O)[C@H]1CCC(C)(C)CCC1=O 207041411 ZIINFZGNQPAVTH-VIFPVBQESA-N 212.289 2.335 0 30 BEAC O=C1c2ccccc2OC[C@@H]1C(F)(F)F 2265365047 JWESWNBSSISHLG-ZETCQYMHSA-N 216.158 2.440 0 30 BEAC COC(=O)c1ccc(O[C@@H]2CCCCO2)cc1 36421454 KDMICHPWNLJREW-GFCCVEGCSA-N 236.267 2.379 0 30 BEAC Cc1ccc(Cn2cc(N)cn2)c(Cl)c1 235877166 SZVVGZHPXGMUEB-UHFFFAOYSA-N 221.691 2.475 0 30 BEAC CC(C)(C)OC(=O)NCCC12CC(CCN1)C2 2265364209 BVSVSUMNBWQQSA-UHFFFAOYSA-N 240.347 2.043 0 30 BEAC CC1=N/C(=C\c2sccc2C)C(=O)O1 128117 AXLPLQOMVAFLKL-YVMONPNESA-N 207.254 2.373 0 30 BEAC COc1cc(OC)cc([C@H]2CCCN2)c1 3732235 SCIDTXFHJJWWTD-GFCCVEGCSA-N 207.273 2.128 0 30 BEAC CCCCCCOC(=O)[C@@H](N)CC(C)C 4644863 QZGWRJHBXISPLO-NSHDSACASA-N 215.337 2.483 0 30 BEAC c1ccc([C@@H]2OC[C@@H]([C@H]3CCCCN3)O2)cc1 31703250 XKGUUISNOPCNKA-HZSPNIEDSA-N 233.311 2.243 0 30 BEAC Cn1c(=O)ccc2cccc(Br)c21 39121456 YKUKXVQBTWRTBB-UHFFFAOYSA-N 238.084 2.301 0 30 BEAC COc1cc2c(cc1Cl)[C@H](N)CCN2 306701068 KDJUNEQERYAVRN-MRVPVSSYSA-N 212.680 2.164 0 30 BEAC CN1C(=S)S[C@H]2c3ccccc3CCN21 348071 SMDHFGUHDNXTIT-JTQLQIEISA-N 236.365 2.422 0 30 BEAC O=C(O)c1cnc(-c2cc(F)ccc2F)nc1 35323362 DBPZPSJZEOLWJP-UHFFFAOYSA-N 236.177 2.120 0 30 BEAC C[C@H](SC(F)(F)C(F)(F)F)C(=O)O 104840416 QNNWIUVRKQTQFX-REOHCLBHSA-N 224.150 2.348 0 30 BEAC c1ccc([C@H]2NCC23CCOCC3)cc1 328579607 QXAJILBHGRNHBN-GFCCVEGCSA-N 203.285 2.128 0 30 BEAC COc1cc([C@H](C)N)ccc1Br 83593110 TZPQBWQYEUMEGL-LURJTMIESA-N 230.105 2.477 0 30 BEAC C[C@@H]1C[C@H](C(=N)N)[C@@H](C)N1c1ccccc1 299803550 XPJKPTUBPLKSAC-FOGDFJRCSA-N 217.316 2.226 0 30 BEAC CNC(=O)Oc1cc(C)c(NC(=O)O)c(C)c1 2000675 XPWYTOCLVUTBNX-UHFFFAOYSA-N 238.243 2.112 0 30 BEAC CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)NCCCO 38613752 VBXWUOYNNYFRAX-FRRDWIJNSA-N 241.375 2.193 0 30 BEAC CCO[C@@H]1CC(Cc2ccc(C)o2)=NO1 39099658 SLMCTMBXGSFNCF-NSHDSACASA-N 209.245 2.269 0 30 BEAC CC(=O)N1C[C@@H]2CCC(=O)c3cccc1c32 95829664 INQHKQCQMHANMS-VIFPVBQESA-N 215.252 2.113 0 30 BEAC in-vitro O[C@H](CF)c1cccc(Br)c1 116630665 LSBQSNZQLODXPJ-MRVPVSSYSA-N 219.053 2.452 0 30 BEAC C[C@@H]1CCCN[C@@H]1CCNC(=O)OC(C)(C)C 307707963 ICACCNRRVDAXDM-GHMZBOCLSA-N 242.363 2.289 0 30 BEAC COc1ccc([C@H]2CNCC2(F)F)cc1 584880016 XJNQBKHEAAYCMX-SNVBAGLBSA-N 213.227 2.017 0 30 BEAC CCOC(=O)[C@@H]1CCCCC(C)(C)C1=O 719189621 NRCHPTGGEQJFEK-SECBINFHSA-N 212.289 2.335 0 30 BEAC O[C@H]1C(=Cc2cccs2)N2CCC1CC2 2265233870 XMWJEFWRYXIQQR-GFCCVEGCSA-N 221.325 2.176 0 30 BEAC CCCC(CC)(C(=O)OCC)C(=O)OCC 2515956 ZXENWBHSTGAEEW-UHFFFAOYSA-N 230.304 2.309 0 30 BEAC COC(=O)[C@](C)(Cl)Cc1ccccc1 83988578 OOUPJULROAEZBX-LLVKDONJSA-N 212.676 2.400 0 30 BEAC in-vitro CC(C)=CCOC(=O)CNC(=O)OC(C)(C)C 141205181 RETUDQDPHDHFRZ-UHFFFAOYSA-N 243.303 2.021 0 30 BEAC COc1cc(C(=O)O)cc2c(C)c(C)[nH]c12 215677116 RLQNQCWSEXNBSK-UHFFFAOYSA-N 219.240 2.492 0 30 BEAC NS(=O)(=O)c1ccc(-c2ccccc2)s1 238646955 IEJNXNHIEXRYBY-UHFFFAOYSA-N 239.321 2.063 0 30 BEAC O=C(O)CNCc1cc(Cl)sc1Cl 308350146 NQINLEPWHUKAGJ-UHFFFAOYSA-N 240.111 2.229 0 30 BEAC Cc1cc(C)c(NC(=O)/C=C/C(=O)O)cc1C 72379 OUPHYMMLAJECIQ-SNAWJCMRSA-N 233.267 2.191 0 30 BEAC CCOC(=O)CCCCCCCOC(C)=O 33611179 HDULGKMDLBJWKO-UHFFFAOYSA-N 230.304 2.453 0 30 BEAC CN1CCC[C@H](CN)[C@H]1c1cccs1 82374015 DPKWXOKHANQUNA-KOLCDFICSA-N 210.346 2.090 0 30 BEAC Clc1ncc(I)s1 85352196 JNQVWASZANLMNO-UHFFFAOYSA-N 245.472 2.401 0 30 BEAC COCCOc1ccc(C(=O)OC)c(Cl)c1 95883325 XTFDSHYPAJQFCH-UHFFFAOYSA-N 244.674 2.152 0 30 BEAC in-vitro COCc1sncc1Br 719856496 QFGZLLPNOZNXHF-UHFFFAOYSA-N 208.080 2.052 0 30 BEAC NC[C@@H]1Cc2ccc(Br)cc2C1 84783356 KTFFSWUKYABTRV-SSDOTTSWSA-N 226.117 2.123 0 30 BEAC COc1cc(Br)cc2c1[C@@H](N)CC2 238456120 KLMGMEMNUFVQEV-QMMMGPOBSA-N 242.116 2.404 0 30 BEAC O=C(O)C[C@@H]1CC2(CCNCC2)c2ccccc21 107272183 ISFPDIWMWZCMTA-LLVKDONJSA-N 245.322 2.270 0 30 BEAC COCc1csc(Br)n1 231720469 ACDMCXMUIWZAEY-UHFFFAOYSA-N 208.080 2.052 0 30 BEAC COC(=O)c1cccc2c1NC[C@@H](C)C2 2265383691 PHHVWZOSHNAAEH-QMMMGPOBSA-N 205.257 2.077 0 30 BEAC CN1C(=S)S[C@@H]2c3ccccc3CCN21 348073 SMDHFGUHDNXTIT-SNVBAGLBSA-N 236.365 2.422 0 30 BEAC O=C(OCc1cccnc1)c1ccccc1 14684171 KZWLQBXYCSZBPP-UHFFFAOYSA-N 213.236 2.439 0 30 BEAC NC(=S)C1CCN(Cc2ccccc2)CC1 33465275 TUMNFXQIASNCMJ-UHFFFAOYSA-N 234.368 2.185 0 30 BEAC COc1cc(Cl)cc2c(=O)cc(C)[nH]c12 36075651 WWVIOEOKNNMNRN-UHFFFAOYSA-N 223.659 2.499 0 30 BEAC O=C1C[C@@H](C(=O)O)c2ccc(Cl)cc21 39220495 XVHIMUVCNJRARP-MRVPVSSYSA-N 210.616 2.095 0 30 BEAC C[C@H]1C[C@@H](C)CN(c2ccc(N)cc2C(=O)O)C1 53224669 PEPUMPQTKIHPMR-AOOOYVTPSA-N 248.326 2.449 0 30 BEAC O=C(O)C1(CNC2CCCCC2)CCC1 129700873 JXEKINXOVSEFJQ-UHFFFAOYSA-N 211.305 2.164 0 30 BEAC CC(=O)c1nc(Br)sc1C 200560255 OBLRYUORPVWFAI-UHFFFAOYSA-N 220.091 2.417 0 30 BEAC CC(=O)Nc1c([N+](=O)[O-])cc(O)c2ccccc12 218247793 BDFYTPMEEIYXCJ-UHFFFAOYSA-N 246.222 2.412 0 30 BEAC CC(=O)Nc1cccc2c(O)c(C(=O)O)ccc12 5160957 JPUYRWWCTSJJED-UHFFFAOYSA-N 245.234 2.202 0 30 BEAC CC(C)O[C@@](C)(C(=O)O)c1ccccc1 41928175 HXMJLMXLXAMMOC-GFCCVEGCSA-N 208.257 2.411 0 30 BEAC NCc1cccc(Oc2ccc(F)cc2)n1 51548122 HOVMYCCQLQLBEQ-UHFFFAOYSA-N 218.231 2.472 0 30 BEAC CC[C@H](C)[C@H](NC(C)C)C(=O)OC(C)C 205021783 DBBMVVLNAOZAQR-QWRGUYRKSA-N 215.337 2.351 0 30 BEAC CC[C@@H]1CN(Cc2cnc(C)s2)CC[C@@H]1N 122352874 UJWYXJUBMIMGBY-PWSUYJOCSA-N 239.388 2.011 0 30 BEAC N[C@H]1CCNc2c(Br)cccc21 143763467 FAJPIVIOBZXCRX-QMMMGPOBSA-N 227.105 2.265 0 30 BEAC CC(C)(C)OC(=O)N[C@@H]1CNC2(CCCC2)C1 1536221826 JADMHWYMCDKOOU-JTQLQIEISA-N 240.347 2.186 0 30 BEAC COc1ccc(C(=CN(C)C)C(C)=O)cc1OC 12351440 VKDIIYHXPBYZPL-UHFFFAOYSA-N 249.310 2.195 0 30 BEAC NCc1nc(-c2ccc(F)c(Cl)c2)c[nH]1 36870983 BQOPBFKXGFWGDM-UHFFFAOYSA-N 225.654 2.328 0 30 BEAC C=Cc1ccc(S(=O)(=O)O)cc1CC 39101583 LBNFMXBNUFSBQC-UHFFFAOYSA-N 212.270 2.139 0 30 BEAC CCN1CC[C@@H](N)[C@@H]1c1cc(F)c(F)c(F)c1 70298970 XNDXBESKWCDSDL-PWSUYJOCSA-N 244.260 2.198 0 30 BEAC in-vitro NCCCCc1cnn(-c2ccccc2)c1 78782581 GEINFNGPSNFQFT-UHFFFAOYSA-N 215.300 2.154 0 30 BEAC C[C@@H]([C@H]1COc2ccccc2O1)N1CCCC1 1843853 KAXULGXUSBBIMN-SMDDNHRTSA-N 233.311 2.311 0 30 BEAC COCc1c[nH]c2ccc(C(=O)OC)cc12 118198423 WAYXZKMZVNUFGR-UHFFFAOYSA-N 219.240 2.101 0 30 BEAC in-vitro COC(=O)c1cc2ccnc(Cl)c2o1 215151067 PTPJBFPKADCTSE-UHFFFAOYSA-N 211.604 2.268 0 30 BEAC O=C(O)c1cccc(-c2ccc3c(c2)OCO3)n1 39927830 MNBDQFSUHNDRNN-UHFFFAOYSA-N 243.218 2.176 0 30 BEAC N[C@@H](Cc1ccccc1)Cc1cscn1 54685351 GRDUHASSXSJQCK-NSHDSACASA-N 218.325 2.256 0 30 BEAC in-vitro Fc1ccc(-n2nccc2-c2ncccn2)cc1 72190524 SVUIVTLFODOLTF-UHFFFAOYSA-N 240.241 2.468 0 30 BEAC CCOC(=O)[C@@]1(c2ccc(F)cc2)CCO1 260420114 NTZVPJWDMDIGPG-LBPRGKRZSA-N 224.231 2.004 0 30 BEAC CC1(C)COc2ccccc2[C@@H]1C(=O)O 214902713 DKLKLTIKSHAMMM-SNVBAGLBSA-N 206.241 2.273 0 30 BEAC CN(C)c1cccc(Br)c1CO 259405325 JHZNSJZKNGEQGV-UHFFFAOYSA-N 230.105 2.007 0 30 BEAC CC(C)(C)C(=O)CC(=O)c1ccccn1 20375712 BTUHIPWWFKHIOP-UHFFFAOYSA-N 205.257 2.270 0 30 BEAC C[C@@H](N)[C@H]1CCCN(Cc2ccsc2)C1 69627039 ACIPRISQWRHXBB-PWSUYJOCSA-N 224.373 2.307 0 30 BEAC COc1cc([C@H]2CCCN2)cc(F)c1F 72202040 FYBGFOAHUSCCLN-SECBINFHSA-N 213.227 2.398 0 30 BEAC CCCCN[Si](C)(C)NCCCC 195765056 BOYBHDHQCOROOJ-UHFFFAOYSA-N 202.418 2.468 0 30 BEAC c1ccc([C@H]2C[C@H]3NCCC[C@H]3O2)cc1 334163754 BYHKVRAIUQZFCW-JHJVBQTASA-N 203.285 2.269 0 30 BEAC N[C@@H]1CCCCCN(Cc2ccccc2)C1 536949763 YHQJRFDYJPWBLJ-CQSZACIVSA-N 218.344 2.390 0 30 BEAC C[C@H]1CO[C@H](C(Cl)(Cl)Cl)O1 2037921 YNEGMVUIENQSCP-IMJSIDKUSA-N 205.468 2.118 0 30 BEAC CCOC(=O)NC(=S)N1[C@@H](C)CCC[C@H]1C 18191153 GAEUDCPVCVEDNK-DTORHVGOSA-N 244.360 2.280 0 30 BEAC CCC1(c2cc(O)cc(OC)c2)OCCO1 39102518 YJXGGSWOEBPMNO-UHFFFAOYSA-N 224.256 2.010 0 30 BEAC O=C1CCC(O)(c2cccc(F)c2)CC1 84323337 YQCKMDRTWIMKNB-UHFFFAOYSA-N 208.232 2.156 0 30 BEAC in-vitro COc1cc(Br)c2c(c1)CNCC2 214392365 HZABFRVUKMKTQP-UHFFFAOYSA-N 242.116 2.103 0 30 BEAC CCOC(=O)[C@]12CCCCC=C1OCC2 950757393 YQALZQIYAWAPMF-LBPRGKRZSA-N 210.273 2.414 0 30 BEAC CCOC(=O)NC(=S)c1ccc(OC)cc1 172708 ILQAZYMOMZZXNP-UHFFFAOYSA-N 239.296 2.117 0 30 BEAC O=C1CCc2nc(C(F)(F)F)ccc21 95642486 QFXYYKXVFLMOEC-UHFFFAOYSA-N 201.147 2.229 0 30 BEAC CC(=O)Oc1cc(O)cc2ccccc12 136292765 MELGHTFKAAXDLJ-UHFFFAOYSA-N 202.209 2.471 0 30 BEAC NCCc1c[nH]c2c(F)c(F)c(F)cc12 147556748 CVQWCGCDFNERKS-UHFFFAOYSA-N 214.190 2.086 0 30 BEAC CC(=O)[C@@H](N)c1ccc(OC(C)C)cc1 238156970 AMRCNAPLXGGLFC-GFCCVEGCSA-N 207.273 2.063 0 30 BEAC CC(C)(C)OC(=O)Cc1cc(F)ccc1N 584594250 QWDSHESVMKQKKY-UHFFFAOYSA-N 225.263 2.292 0 30 BEAC Cc1ccc(S(=O)(=O)[N@]2[C@@H]3C=CCC[C@H]32)cc1 2265352284 ZKIDRRFCDGTGHN-MGPQQGTHSA-N 249.335 2.087 0 30 BEAC Cc1cc(C)c2c(c1C(N)=O)CC(C)(C)C2=O 6201508 PJMGSHQZTUBTSC-UHFFFAOYSA-N 231.295 2.167 0 30 BEAC O=C(O)c1ccc(-c2ccc(O)cc2)cn1 65347123 JUCKOTBCVIDZTC-UHFFFAOYSA-N 215.208 2.152 0 30 BEAC C[C@@H]1CC(=O)[C@@H](C)N(Cc2ccccc2)C1 68592979 FABAJOBMSRCVJN-VXGBXAGGSA-N 217.312 2.486 0 30 BEAC C[C@@H](CCCO)NCc1ccccc1F 87358360 UUXHRKUNKFJYFL-JTQLQIEISA-N 211.280 2.076 0 30 BEAC Clc1ccc(C2OCCO2)c(Cl)n1 217985593 RBOVJOGDVPQCMM-UHFFFAOYSA-N 220.055 2.434 0 30 BEAC COC1(OC)CC2(CN[C@@H]2c2ccccc2)C1 390822117 GLJIKVXMKLAHOS-GFCCVEGCSA-N 233.311 2.100 0 30 BEAC Cc1c(N)nc(-c2ccccn2)nc1Cl 536948705 LSFQLSMNKWQRLY-UHFFFAOYSA-N 220.663 2.083 0 30 BEAC in-vitro CC(C)(C(=O)O)[C@@H]1CCC[C@H](C(F)(F)F)N1 584880031 GAMVXVPTIGEJHW-NKWVEPMBSA-N 239.237 2.170 0 30 BEAC CC(=O)S[C@H](C(=O)O)c1ccccc1 3164135 GCBDFXPLCNQIFE-VIFPVBQESA-N 210.254 2.092 0 30 BEAC in-vitro CC(=O)O[C@@H](C)COC1CCCCC1 6020859 KALNAECRVKZDPI-VIFPVBQESA-N 200.278 2.287 0 30 BEAC CC(=O)Nc1c(O)ccc(C(C)(C)C)c1O 39098669 KLMHLENUULHYCR-UHFFFAOYSA-N 223.272 2.354 0 30 BEAC COc1c(C)c(C)c(OC)c(CO)c1C 39633079 XQCGKSRFUNJKJW-UHFFFAOYSA-N 210.273 2.121 0 30 BEAC COC(=O)C[C@H]1CCc2ccc(O)cc2C1 82288503 FUHYNJACOYUTBV-VIFPVBQESA-N 220.268 2.060 0 30 BEAC O=C(O)[C@H](F)c1nc2ccccc2s1 95347804 RJHUYRWBNQVJEG-SSDOTTSWSA-N 211.217 2.392 0 30 BEAC CCCNc1ncccc1C(=O)OCC 20022178 LGAYLPPLULAWRI-UHFFFAOYSA-N 208.261 2.080 0 30 BEAC Cc1c(N)cc(Cc2ccccc2N)cc1N 33609118 RTVGTDHWAYGHNK-UHFFFAOYSA-N 227.311 2.332 0 30 BEAC NC(=S)c1c(F)cccc1OC(F)F 36818576 AKUJAKPXMWUOPQ-UHFFFAOYSA-N 221.203 2.061 0 30 BEAC Nc1ccc(N2CCOCC2)c(C(F)F)c1 82564933 AREMEPZNAGLQAN-UHFFFAOYSA-N 228.242 2.043 0 30 BEAC Nc1cccc2c1C(=O)N(c1ccccc1)C2 116262718 JHOVFZZISATGCZ-UHFFFAOYSA-N 224.263 2.429 0 30 BEAC CCCCCCOC(=O)[C@H](N)CC(C)C 4644862 QZGWRJHBXISPLO-LLVKDONJSA-N 215.337 2.483 0 30 BEAC O=C(C1SCCCS1)C(F)(F)F 39055700 QNGKKOKVGRLLTB-UHFFFAOYSA-N 216.249 2.314 0 30 BEAC CC(C)(C)OC(=O)N1CCC[C@@]2(N)CCC[C@H]12 1554770626 AXIXCCDRBVNDAS-GWCFXTLKSA-N 240.347 2.267 0 30 BEAC NNC(=S)Nc1cc(Cl)cc(Cl)c1 2390155 KLIUNSPARHGWSX-UHFFFAOYSA-N 236.127 2.154 0 30 BEAC NC(=O)c1cc(Br)c2cc[nH]c2c1 95642758 XOBUAZLOWILMLM-UHFFFAOYSA-N 239.072 2.029 0 30 BEAC NCCNc1ccc(Cl)c(Cl)c1 19732758 OQPNJMXFIQFACK-UHFFFAOYSA-N 205.088 2.364 0 30 BEAC COC(=O)c1nc(C)[nH]c1-c1ccc(F)cc1 40435069 RBXSJUXOXCHVHV-UHFFFAOYSA-N 234.230 2.311 0 30 BEAC Cc1ccc(-c2nc(C(=O)O)cs2)cn1 74076142 OTYWTYMWINNKFE-UHFFFAOYSA-N 220.253 2.212 0 30 BEAC CS(=O)(=O)c1ccccc1-c1cccc(N)c1 95616809 VHLCGMUEPXEZHO-UHFFFAOYSA-N 247.319 2.339 0 30 BEAC CC(=O)C(C(C)=O)C(=O)O[C@H](C)c1ccccc1 111897340 ZXBGGHFUQBYYGQ-LLVKDONJSA-N 248.278 2.085 0 30 BEAC CCCN[C@@H]1CCCc2c(ccc(O)c2O)C1 201295574 PGXJHBACGVMLOC-LLVKDONJSA-N 235.327 2.345 0 30 BEAC COC(=O)c1c(C)ccc(Cl)c1[N+](=O)[O-] 396149604 PABLQIOKGGRGTB-UHFFFAOYSA-N 229.619 2.343 0 30 BEAC CCC1(CC)C[C@H](NC(=O)OC(C)(C)C)CN1 2265385253 XBOIVNNAWSTIMW-JTQLQIEISA-N 242.363 2.432 0 30 BEAC COc1ccc(-c2nc(N)ncc2C)cc1 1767187 YZAQLTNGFLOKJA-UHFFFAOYSA-N 215.256 2.043 0 30 BEAC in-vitro CC[C@H]1CCN[C@H]1C1CCN(CC)CC1 3733521 MOUFRUAZVSDGNE-WCQYABFASA-N 210.365 2.106 0 30 BEAC Cc1c(I)cccc1CN 83376210 RSDFQGWYVYLGNA-UHFFFAOYSA-N 247.079 2.058 0 30 BEAC CCOC(=O)C(F)(F)c1cc(C)ccn1 238790338 QDTVZSDHZPBXNU-UHFFFAOYSA-N 215.199 2.045 0 30 BEAC C[C@@H](O)C(=O)O[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 248667333 PKKVIPFBICXMFP-ORXSELOVSA-N 226.316 2.125 0 30 BEAC Oc1cccc2c(C(F)(F)F)[nH]nc12 257849433 MIICSPIRZYKKPD-UHFFFAOYSA-N 202.135 2.287 0 30 BEAC CC(C)(C)OC(=O)N1CC(=O)CC2(CCC2)C1 686095233 CRXRNRPIJSYCAO-UHFFFAOYSA-N 239.315 2.367 0 30 BEAC CC(C)CCCCCOP(=O)(O)O 2545285 RQINQJTUMGQYOB-UHFFFAOYSA-N 210.210 2.312 0 30 BEAC CCCCNC(=O)NC1Cc2ccccc2C1 4364870 FRDHNITZMRHCLM-UHFFFAOYSA-N 232.327 2.253 0 30 BEAC Cc1cccnc1NC(=O)c1ccccc1N 13208861 NNHSMCWCONKKMB-UHFFFAOYSA-N 227.267 2.225 0 30 BEAC O=C(O)CC1CCN(C(=O)c2ccccc2)CC1 20509069 KXHGWYZKPOTYOL-UHFFFAOYSA-N 247.294 2.014 0 30 BEAC CCOP(=O)(CC(=O)C(C)C)OCC 36467569 NQQHQWSRTXRJHH-UHFFFAOYSA-N 222.221 2.478 0 30 BEAC CCOC(=O)C(=O)c1sc(C)cc1C 88047827 XINQBRPRUXVKFK-UHFFFAOYSA-N 212.270 2.111 0 30 BEAC COC(=O)C[C@H]1CCO[C@@H](C(C)C)C1 95348025 YILSUMKNIUBHHY-VHSXEESVSA-N 200.278 2.001 0 30 BEAC COc1ncccc1-c1ncc(C=O)s1 307244521 UTAIRISZWSRUKB-UHFFFAOYSA-N 220.253 2.026 0 30 BEAC CN[C@H](Cc1cccc(F)c1)c1nccn1C 69473590 LNSSMHBUKUELQS-GFCCVEGCSA-N 233.290 2.062 0 30 BEAC COC(=O)[C@H]1C=C[C@@H](n2c(C)ccc2C)C1 72191358 UBNQRXPWESAWSF-NWDGAFQWSA-N 219.284 2.395 0 30 BEAC CC[C@]1(C)C[C@H](NC(=O)OC(C)(C)C)CN1 2265383665 MNKCVIPXCLYZQU-JOYOIKCWSA-N 228.336 2.042 0 30 BEAC OCCc1sccc1Br 69049537 KCZAFTAJOFCEPQ-UHFFFAOYSA-N 207.092 2.045 0 30 BEAC in-vitro CC1(C)CC(=O)Nc2nc(Cl)ccc21 98179079 ZWMNQFUHFVYYJJ-UHFFFAOYSA-N 210.664 2.355 0 30 BEAC COc1ccc(F)c(Br)c1C(=O)O 214488485 BLTPPDDVNGZTPK-UHFFFAOYSA-N 249.035 2.295 0 30 BEAC CC(C)(C)OC(=O)N1CC2(CC[C@H]1CN)CC2 584883373 SMIFIWZXNGMPJS-JTQLQIEISA-N 240.347 2.125 0 30 BEAC OCc1ccn(-c2ccc(C(F)(F)F)cc2)n1 89060456 UWWGVXCFMYPERV-UHFFFAOYSA-N 242.200 2.383 0 30 BEAC CC(C)(C)OC(=O)N[C@@H]1CCCCCNC1 536949618 AIZRNHMCUHRBJC-SNVBAGLBSA-N 228.336 2.043 0 30 BEAC O=C(N1CCCC12CC=CC2)C(F)(F)F 39055741 UYPDSCYIBRMKPT-UHFFFAOYSA-N 219.206 2.260 0 30 BEAC C[C@H](C(=O)O)c1cccc(Br)n1 83326719 HFAZXRKSBKAZBQ-YFKPBYRVSA-N 230.061 2.032 0 30 BEAC CC(C)(C)OC(=O)N1CCCC[C@H](N)CC1 145253363 CYRVZPXAHIAGAG-JTQLQIEISA-N 228.336 2.125 0 30 BEAC in-vitro COc1cnc2ncc(Br)cc2c1 1503915569 GFWJOCIJPUHHDS-UHFFFAOYSA-N 239.072 2.401 0 30 BEAC Nc1nc2c(s1)C[C@@H](C(F)(F)F)CC2 82862544 UJDBCDLQSHOLJD-BYPYZUCNSA-N 222.235 2.393 0 30 BEAC CC(C)(C)OC(=O)NC1CC(N2CCCC2)C1 91353136 JOWISBFSJNIJSP-UHFFFAOYSA-N 240.347 2.138 0 30 BEAC CC(C)(C)OC(=O)CC(=O)c1ncccc1F 219887064 DTYQZQJXVOCVOP-UHFFFAOYSA-N 239.246 2.135 0 30 BEAC O=C(O)c1oc(Br)nc1C(F)F 536954834 OIEHLACJJIWQNP-UHFFFAOYSA-N 241.975 2.073 0 30 BEAC Cc1cc(C)c(Nc2ncnc(N)n2)c(C)c1 89433 YVSMGHVTPPJDEJ-UHFFFAOYSA-N 229.287 2.123 0 30 BEAC O=c1[nH]ccc2cc(F)c(Br)cc12 90548889 QLALLSRWJRAJOS-UHFFFAOYSA-N 242.047 2.430 0 30 BEAC CC(C)(C)OC(=O)N1CCC2(CCOCC2)C1 95084619 FEENEHWZOGAMDZ-UHFFFAOYSA-N 241.331 2.424 0 30 BEAC c1ccc2[nH]c(N3CCOCC3)cc2c1 140006903 YKPHXDGWZIGKMM-UHFFFAOYSA-N 202.257 2.005 0 30 BEAC CCCCN1C[C@H](C)[C@@H](OC(C)=O)C[C@@H]1C 396142384 PZKYXLLMFSIYDV-GVXVVHGQSA-N 227.348 2.449 0 30 BEAC CC(C)(C)OC(=O)N1CCCCC[C@H]1O 21991318 YUMNPYZNPVXWGB-SECBINFHSA-N 215.293 2.116 0 30 BEAC in-vitro CC(C)COc1ncc(CN)cc1Cl 51525551 FNKSKYRUJIGQDY-UHFFFAOYSA-N 214.696 2.229 0 30 BEAC CC(C)c1noc(C2CCC(=O)CC2)n1 70996848 LFQDPAZVUVYPEW-UHFFFAOYSA-N 208.261 2.420 0 30 BEAC CCNc1ncccc1I 204650399 WPBYBZYZADRSAT-UHFFFAOYSA-N 248.067 2.118 0 30 BEAC CC(C)(C)[C@@H]1Oc2ccccc2NC1=O 34122218 IDVSMRWTSJNUPN-SNVBAGLBSA-N 205.257 2.432 0 30 BEAC O=C(O)c1ccccc1-n1ccc(C2CC2)n1 52855747 FDGXCDUHVFBYAE-UHFFFAOYSA-N 228.251 2.448 0 30 BEAC CC(C)[C@@H](N)CCC(=O)OC(C)(C)C 143338458 IFUQNJXMUYZDAJ-VIFPVBQESA-N 201.310 2.092 0 30 BEAC Cn1/c(=N/N)sc2ccc(C(F)(F)F)cc21 953069889 KIGCFIPODZUYBZ-ZSOIEALJSA-N 247.245 2.033 0 30 BEAC CN(C)C=C(C#N)C(=O)c1ccc(Cl)cc1 2507518 BVQNAFCXKKEMQX-UHFFFAOYSA-N 234.686 2.492 0 30 BEAC CC[C@H]1CCN[C@@H]1C1CCN(CC)CC1 3733523 MOUFRUAZVSDGNE-AAEUAGOBSA-N 210.365 2.106 0 30 BEAC N[C@@H](CCO)c1cc(Cl)cc(Cl)c1 44232233 GDDRJIHKCNSDRF-VIFPVBQESA-N 220.099 2.376 0 30 BEAC COc1ccc(-c2cc(C)nc(N)n2)cc1OC 52837852 PAZLFKIJYYWIBG-UHFFFAOYSA-N 245.282 2.051 0 30 BEAC Fc1cc([C@@H]2CCNC2)cc(F)c1F 62720768 HHSDWOQIXNBUGL-ZCFIWIBFSA-N 201.191 2.181 0 30 BEAC O=C(O)CCOc1ccc(Cl)c(F)c1 75881232 MXWCSIQMIPQHNF-UHFFFAOYSA-N 218.611 2.333 0 30 BEAC Cc1cc(C)c(NC(=O)CCC(=O)O)cc1C 72385 MQAKIODKLHAONP-UHFFFAOYSA-N 235.283 2.415 0 30 BEAC c1ccc(-c2nsc(N3CCOCC3)n2)cc1 74707 NJIORIRVDIQMED-UHFFFAOYSA-N 247.323 2.042 0 30 BEAC CCN(CC)CCCNCCCN(CC)CC 5649794 MUFLLFPHQQDPIW-UHFFFAOYSA-N 243.439 2.040 0 30 BEAC Cc1occc(=O)c1OC(=O)c1ccccc1 5764952 GBNUKEJIAQPSJH-UHFFFAOYSA-N 230.219 2.167 0 30 BEAC O=C(O)/C=C\C(=O)Nc1cccc2c1CCCC2 33363550 NWIOLOZYQWUIIL-HJWRWDBZSA-N 245.278 2.145 0 30 BEAC Cc1c(Br)ccc2c1OCO2 39240404 PUSAAKUITLSFMZ-UHFFFAOYSA-N 215.046 2.486 0 30 BEAC Nc1nccc2c1ncn2Cc1ccccc1 218010116 BCAHOTXOWKOJBY-UHFFFAOYSA-N 224.267 2.062 0 30 BEAC in-vitro N[C@@H](c1ccccc1)C1(CO)CCCC1 299805618 XPYQFIOWYHKGOX-LBPRGKRZSA-N 205.301 2.239 0 30 BEAC CCc1cccc2c1CC[C@H]1CNC[C@@H]21 39100673 MOPPRNADQVVKRN-SMDDNHRTSA-N 201.313 2.498 0 30 BEAC COc1cc(OC)c(C(=O)C2CC2)c(OC)c1 71452204 HXPRDCVOHMMIQV-UHFFFAOYSA-N 236.267 2.305 0 30 BEAC CCOc1ccc(/C=C/CO)cc1OC 86209918 SXUDLOLGVBDXRL-SNAWJCMRSA-N 208.257 2.099 0 30 BEAC CC1(C)COC(=O)c2ccccc2C(=O)OC1 143842626 ICUVLDRIHMJXMQ-UHFFFAOYSA-N 234.251 2.040 0 30 BEAC Cc1oc(CO)cc1C(=O)Nc1ccccc1 198658675 NTSAUQJLAJZMSY-UHFFFAOYSA-N 231.251 2.333 0 30 BEAC N[C@@H]1COc2cc(C(F)(F)F)c(F)cc2C1 521399752 BVAVRLXIKIFQOO-LURJTMIESA-N 235.180 2.107 0 30 BEAC Cc1ccc(Br)c(S)n1 712538265 AWIZAXPRXPPNJD-UHFFFAOYSA-N 204.092 2.441 0 30 BEAC CCOc1cc([C@@H]2C[C@H](C)CN2)ccc1O 3705295 JJSWTYULFULIFV-ONGXEEELSA-N 221.300 2.461 0 30 BEAC O=C(O)CC[C@@H]1NCCc2c1[nH]c1ccccc21 38643835 XIAYIHRUXVWWSD-LBPRGKRZSA-N 244.294 2.220 0 30 BEAC N[C@H](CC[C@H]1CCCO1)c1cccnc1 83529435 DMNRWEYCFLLCKN-VXGBXAGGSA-N 206.289 2.041 0 30 BEAC CS(=O)(=O)c1ccc(Cl)c2ncccc12 143338715 SHUXTOYOOUYIDE-UHFFFAOYSA-N 241.699 2.292 0 30 BEAC OC[C@@H]1CCc2[nH]c3ccc(F)cc3c2C1 143379414 YOFCDBZOBQYVME-MRVPVSSYSA-N 219.259 2.404 0 30 BEAC O=C(O)c1cc(F)cc(-n2cccc2)c1 216650247 USALWPZBZYQFCF-UHFFFAOYSA-N 205.188 2.315 0 30 BEAC C1=C[C@@]2(CCCNC2)Oc2ccccc21 675050654 GKIZVAHZSDVYEW-CYBMUJFWSA-N 201.269 2.214 0 30 BEAC COc1ccc2c(c1)CCN[C@@H]2c1ccccn1 3703137 BBZRKCFLHGWGMU-HNNXBMFYSA-N 240.306 2.325 0 30 BEAC C[C@H](N)Cc1cc(Br)ccc1F 19270877 GWXIGTGDZHMEFQ-LURJTMIESA-N 232.096 2.478 0 30 BEAC in-vitro C=COC(=O)C(F)(F)C(F)(Cl)Cl 33606809 VSKVRMXJKAFPSG-UHFFFAOYSA-N 222.977 2.409 0 30 BEAC CCOC(=O)c1nc2cc(F)ccc2o1 75883675 LAJPDGIMEDQQRP-UHFFFAOYSA-N 209.176 2.144 0 30 BEAC Cn1c(C(F)F)cnc1Br 215537726 XIHUTNJGJQYBPE-UHFFFAOYSA-N 211.009 2.120 0 30 BEAC CC(C)(C(=O)O)c1cc(C(F)(F)F)ccn1 259403143 RZOLVPGHOYEXAI-UHFFFAOYSA-N 233.189 2.463 0 30 BEAC FC1(F)C[C@H]1n1cc(Br)cn1 958719518 LQGZSBKEMJDIKV-RXMQYKEDSA-N 223.020 2.226 0 30 BEAC N[C@@]1(c2cccc(OC(F)F)c2)CCCOC1 2246341302 HKXHSBDBOCQBTG-LBPRGKRZSA-N 243.253 2.252 0 30 BEAC Cc1cc2cccc(Br)n2n1 107151353 AGMYGFNMXDXHJT-UHFFFAOYSA-N 211.062 2.405 0 30 BEAC CC(C)(C)OC(=O)N1CC[C@@H](C2CC2)[C@H]1CO 205888681 JBPYSRCIABNLNM-WDEREUQCSA-N 241.331 2.014 0 30 BEAC O[C@H]1CC[C@@H](NCc2ccccc2)CC1 238725940 QPRIOPMWGXBPOQ-JOCQHMNTSA-N 205.301 2.080 0 30 BEAC O=C(O)c1cc2ncc(Br)cc2o1 725344069 DUJDFHIBZRMVQG-UHFFFAOYSA-N 242.028 2.289 0 30 BEAC NC(=O)c1ccc2cc[nH]c2c1Br 2048487699 VTPDXGRLPDAQGO-UHFFFAOYSA-N 239.072 2.029 0 30 BEAC C[C@@H]1C[C@@H](C(=N)N)[C@@H](C)N1c1ccccc1 299803549 XPJKPTUBPLKSAC-CKYFFXLPSA-N 217.316 2.226 0 30 BEAC CCOc1cncc(/C=C/C[C@@H](C)NC)c1 34017308 KJZMFQZAEDAMAE-OKPNEXGHSA-N 220.316 2.492 0 30 BEAC CCO[P@@]1(=O)O[C@@H](C)C=C1C(C)(C)O 39098843 BQOCJOCEXADCNG-JKYUHCHBSA-N 220.205 2.290 0 30 BEAC Cc1nn(Cc2cccc(Cl)c2)cc1N 135782307 ACXNEOVFROPVRB-UHFFFAOYSA-N 221.691 2.475 0 30 BEAC Cc1cc(Br)cc2c1[C@H](N)CO2 238463677 SXZKOAQJBJKTKW-SSDOTTSWSA-N 228.089 2.150 0 30 BEAC O=C(O)Cc1ccccc1-c1ccc[nH]1 692484895 FZVZCNJGUCKIOY-UHFFFAOYSA-N 201.225 2.309 0 30 BEAC COc1cc(C(C)=O)c(OC)cc1C(C)=O 2566187 FGYGGKRNTYGDPH-UHFFFAOYSA-N 222.240 2.109 0 30 BEAC COc1ccc(Cc2ncc(CN)s2)cc1 42390272 GPRJEBWEYZRFFO-UHFFFAOYSA-N 234.324 2.201 0 30 BEAC OC1(Cc2ccc(F)cc2)C[C@@H]2CC[C@H](C1)N2 71372437 ZZBOPCGBGVIXQO-PBWFPOADSA-N 235.302 2.014 0 30 BEAC in-vitro CN(Cc1ccccc1)[C@@H]1CCCNCC1 82666635 YICRVFXFCKIOTE-CQSZACIVSA-N 218.344 2.261 0 30 BEAC in-vitro COC(=O)c1cc2ccccc2c(OC)n1 95882067 BVXNQFARWJSEKN-UHFFFAOYSA-N 217.224 2.030 0 30 BEAC in-vitro COc1cc(Cl)nc(C(F)(F)F)n1 228776507 LBUQLUWVXNDBGF-UHFFFAOYSA-N 212.558 2.157 0 30 BEAC CC(=O)O[C@@H](c1ccccc1)[C@H]1CCCCN1 2019952 BKPLVPRTTWIDNL-KGLIPLIRSA-N 233.311 2.433 0 30 BEAC in-man NC(=O)c1cc(F)c(F)c(C(F)(F)F)c1 2382153 CZDQHDKZBSAGHQ-UHFFFAOYSA-N 225.116 2.083 0 30 BEAC CCC(=O)Oc1ccc2nc(N)sc2c1 45237328 ZRIHHYPHUZUDGP-UHFFFAOYSA-N 222.269 2.194 0 30 BEAC Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)N 54716433 RMJPREAIXSMPOO-RXMQYKEDSA-N 221.226 2.082 0 30 BEAC in-vitro C=CC[C@]1(O)C=C(C)[C@H]2C[C@H]1C(C)=CC2=O 100252045 RGQUDJAMPMESQG-DYEKYZERSA-N 218.296 2.405 0 30 BEAC O=C(O)c1cccc(C2CCOCC2)c1 106886142 RIOUZDXMFBINOG-UHFFFAOYSA-N 206.241 2.279 0 30 BEAC CC(C)(C)OC(=O)N1CC[C@@]2(N)CCCC[C@H]12 307107440 ZIRHPMBSDWIIGA-GWCFXTLKSA-N 240.347 2.267 0 30 BEAC CC(C)(C)OC(=O)N1CC[C@@]2(N)CCCC[C@@H]12 307107446 ZIRHPMBSDWIIGA-MFKMUULPSA-N 240.347 2.267 0 30 BEAC CCCC[C@@H](NC)C(=O)c1ccc2c(c1)OCO2 2265384848 LNZBSVNIMBHSAG-LLVKDONJSA-N 249.310 2.376 0 30 BEAC CC(C)C(=O)O[C@@H]([C@@H](C)CO)C(C)(C)C 5359003 YXISVHDWGVMPGJ-UWVGGRQHSA-N 216.321 2.229 0 30 BEAC CNc1nc2c3cccnc3ccc2n1C 13282262 KDCAXDISXLLBJE-UHFFFAOYSA-N 212.256 2.163 0 30 BEAC in-vitro NC[C@H]1CCN(c2ccc(Cl)cc2F)C1 42590380 BLWDLRVWMXJKHA-MRVPVSSYSA-N 228.698 2.264 0 30 BEAC Clc1cc(NC2CC2)nc(Cl)n1 60136929 QRTRXSONPAFUNI-UHFFFAOYSA-N 204.060 2.358 0 30 BEAC CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H](O)C1 143646508 HBWLTSDYLCAHDX-VHSXEESVSA-N 229.320 2.205 0 30 BEAC CCOc1cccc(CN)c1OC(F)F 36672516 FVVHPXBQBQMVBO-UHFFFAOYSA-N 217.215 2.145 0 30 BEAC in-vitro O=C(O)c1cccc([C@H]2CCCOC2)c1 88611628 NJIAFDWKXOJCKQ-NSHDSACASA-N 206.241 2.279 0 30 BEAC CC(C)C(=O)C1CN(C(=O)OC(C)(C)C)C1 91353175 AUMRFKQAZLPMFC-UHFFFAOYSA-N 227.304 2.078 0 30 BEAC COC(=O)[C@H](C#N)c1ncc(Cl)cc1Cl 118113467 GFSIBDVIZSCXBD-ZCFIWIBFSA-N 245.065 2.169 0 30 BEAC COC(=O)[C@@H]1C=C[C@H](n2c(C)ccc2C)C1 150242783 UBNQRXPWESAWSF-NEPJUHHUSA-N 219.284 2.395 0 30 BEAC C#C[C@@]1(O)CCCC[C@H]1NCc1ccccc1 217363509 DERKTTBDJVCMFS-HUUCEWRRSA-N 229.323 2.083 0 30 BEAC CCOC(=O)c1ccc(S)c(F)c1 238265084 QTKPKUANKVEZJY-UHFFFAOYSA-N 200.234 2.291 0 30 BEAC COc1ccc(C)c(N)c1Br 575721139 XYONATHFFSKNMP-UHFFFAOYSA-N 216.078 2.348 0 30 BEAC CCOC(=O)[C@]1(c2ccccc2)CCCN(C)C1 5857173 KYWYUHIJUSFICD-OAHLLOKOSA-N 247.338 2.213 0 30 BEAC COc1cccc(Cc2ncc(CN)s2)c1 40996545 IAWNVTIMMPTOSM-UHFFFAOYSA-N 234.324 2.201 0 30 BEAC Oc1cc(Br)cnc1C1CC1 238727463 MWTANRAFXYLJAW-UHFFFAOYSA-N 214.062 2.427 0 30 BEAC C[C@H](N)[C@H]1CCCN(Cc2ccsc2)C1 69627037 ACIPRISQWRHXBB-JQWIXIFHSA-N 224.373 2.307 0 30 BEAC Cc1cccc(C)c1C(=O)NCCN1CCCC1 138288684 OKUGMNBEJYATBN-UHFFFAOYSA-N 246.354 2.129 0 30 BEAC Nc1cc(Br)c(F)c(Cl)c1N 2265384688 KEWSERQUQZHTJJ-UHFFFAOYSA-N 239.475 2.406 0 30 BEAC CC(C)(C)c1ccccc1N1C(=O)C=CC1=O 103878 KOHAAQZNKXPOID-UHFFFAOYSA-N 229.279 2.414 0 30 BEAC CCO[C@H]1CC(Cc2ccc(C)o2)=NO1 39099659 SLMCTMBXGSFNCF-LLVKDONJSA-N 209.245 2.269 0 30 BEAC Cc1cc(N)ccc1OCCN1CCCC1 40240058 HQVGRSFQLBYLSP-UHFFFAOYSA-N 220.316 2.052 0 30 BEAC c1cc(-c2ncc[nH]2)cc(-c2ncc[nH]2)c1 96328019 HKMPIVAZXQFXPD-UHFFFAOYSA-N 210.240 2.467 0 30 BEAC CC(=O)S[C@H]1CCN(C(=O)OC(C)(C)C)C1 113014538 KYLJPUGKGHFDOL-VIFPVBQESA-N 245.344 2.276 0 30 BEAC C=C/C=C/[C@H]1OC[C@@H](/C=C/C=C/C)[C@H]1O 238752324 DTLKTHCXEMHTIQ-XUVITJOASA-N 206.285 2.237 0 30 BEAC OCC1(NCc2ccccc2)CCCC1 38110824 FUJHOATVHDDNBA-UHFFFAOYSA-N 205.301 2.081 0 30 BEAC CCc1ccc2c(CN(C)C)c[nH]c2n1 45806096 GUHVWEHQCSJGGA-UHFFFAOYSA-N 203.289 2.187 0 30 BEAC Nc1nc(Cl)nc(C2CCCCC2)n1 72192379 OLLFLQZPZHRLPT-UHFFFAOYSA-N 212.684 2.155 0 30 BEAC CCC[C@](C)(Br)C(=O)OC 95883849 PVXRNWXASGBLCN-ZETCQYMHSA-N 209.083 2.113 0 30 BEAC in-vitro CC(=O)SC[C@](C)(C(=O)O)c1ccccc1 205462512 BSUFIEDALPLRRQ-LBPRGKRZSA-N 238.308 2.309 0 30 BEAC COc1cccc(OC)c1C(=O)c1ccncc1 142958 FCMHRUSFYIQJIV-UHFFFAOYSA-N 243.262 2.330 0 30 BEAC CCOC(CCCN1CCCCC1=O)OCC 33605179 JTKDORYHWJDUAS-UHFFFAOYSA-N 243.347 2.178 0 30 BEAC CN1[C@H]2CC[C@@H]1C[C@@H](N1CCCCC1)C2 100046893 MVSSXDKAQLWYQO-CLLJXQQHSA-N 208.349 2.098 0 30 BEAC N[C@H]1CCOc2cc(F)cc(Br)c21 238602847 YSWPWJMKDVVYGT-ZETCQYMHSA-N 246.079 2.371 0 30 BEAC CC1CCC([C@](O)(CN)C(F)(F)F)CC1 675052511 FUPPIOLUTXIVIJ-AMDVSUOASA-N 225.254 2.065 0 30 BEAC C[C@H]1Nc2ccc(C(F)(F)F)cc2NC1=O 31890429 WKAFVRQFNIJFPA-RXMQYKEDSA-N 230.189 2.458 0 30 BEAC CCCC(=O)N1CC[C@@H](N)c2ccccc21 70601199 RQAVLOXGTDFOML-LLVKDONJSA-N 218.300 2.223 0 30 BEAC CC(C)(C)OC(=O)N1CC[C@H](C2CC2)[C@@H]1CO 219792785 JBPYSRCIABNLNM-MNOVXSKESA-N 241.331 2.014 0 30 BEAC CCOCCN(CCc1ccccc1)C(C)=O 1844810 LTSRXMCKYIIFPP-UHFFFAOYSA-N 235.327 2.114 0 30 BEAC COC(=O)c1cnc(-c2ccccc2F)nc1 35323371 GGEZWNGAVOALPU-UHFFFAOYSA-N 232.214 2.069 0 30 BEAC NCc1cnc(Cc2ccccc2F)s1 49671477 GVVSGFGWTYCHGA-UHFFFAOYSA-N 222.288 2.332 0 30 BEAC COC(=O)c1ccc(-n2ccc(C)n2)cc1C 2265356092 TXLHJZLYRNRQTR-UHFFFAOYSA-N 230.267 2.276 0 30 BEAC Cc1cccc(C)c1NC(=O)c1ccc[nH]c1=O 1591 WJDDCFNFNAHLAF-UHFFFAOYSA-N 242.278 2.244 0 30 BEAC in-man CC(C)(C)OC(=O)NC[C@@H](O)c1cccs1 34170746 CQGRIRKQEHAFIP-MRVPVSSYSA-N 243.328 2.306 0 30 BEAC CC1=C(OC(=O)Cc2ccccc2)C(=O)CC1 38648103 NDZKPFBZWOSZAG-UHFFFAOYSA-N 230.263 2.409 0 30 BEAC CC(C)[C@@H](CO)N[C@@H](C)c1ccccc1F 86121511 VMSRCMNTAXOYQM-GXFFZTMASA-N 225.307 2.493 0 30 BEAC FC(F)(F)n1ccc(Br)n1 575601572 IVJXBORLXJBYLF-UHFFFAOYSA-N 214.972 2.122 0 30 BEAC C[C@@H](CO)[C@H]1CC[C@@H]2[C@@H](O)CCC[C@@]21C 34452333 FUBPRYXDIHQLGH-CKIKVBCHSA-N 212.333 2.192 0 30 BEAC C[C@@H]1COCCN1Cc1ccccc1F 46773890 DELPCRJDHVFEEI-SNVBAGLBSA-N 209.264 2.046 0 30 BEAC C[C@@H]1C[C@@H](N)[C@@H](C)N(Cc2ccccc2)C1 101417867 MPGWATXLKGPBOP-YRGRVCCFSA-N 218.344 2.244 0 30 BEAC CC1(C)COc2ccccc2[C@H]1C(=O)O 214902760 DKLKLTIKSHAMMM-JTQLQIEISA-N 206.241 2.273 0 30 BEAC O=C(O)c1cc(Br)cc2c1CCN2 675078863 AKFOKOGGUGHDKK-UHFFFAOYSA-N 242.072 2.115 0 30 BEAC C/C(=C\C(=O)Nc1cscc1C)C(=O)O 82762 TZVWKLHESIYNQZ-ZZXKWVIFSA-N 225.269 2.026 0 30 BEAC Nc1ccc(Cl)cc1-n1nnc2ncccc21 202234602 WSJAPIVGAKRMOA-UHFFFAOYSA-N 245.673 2.051 0 30 BEAC Brc1nsc(C2CC2)n1 214585789 ZDFKIHZJKVIGMR-UHFFFAOYSA-N 205.080 2.178 0 30 BEAC CC(C)[C@@H](C)[C@H](CN)NC(=O)OC(C)(C)C 307274180 MJFPHLGXBDGXKH-ZJUUUORDSA-N 230.352 2.131 0 30 BEAC CC(C)(C)OC(=O)NC1CC(C(C)(C)O)C1 219574176 NWJHHKDTADUCLG-UHFFFAOYSA-N 229.320 2.061 0 30 BEAC COc1ncc(Br)cc1S 1536038910 CCDYFVFYJKKLGE-UHFFFAOYSA-N 220.091 2.141 0 30 BEAC O=C(O)C[C@@H]1Cc2ccc(Cl)cc2C1=O 84782919 NCVRSCHIGLBPLT-ZETCQYMHSA-N 224.643 2.170 0 30 BEAC F[C@H](OC(F)(F)F)C(F)(F)n1ccnc1 113799864 TYBWWMPZQKTXSM-SCSAIBSYSA-N 234.099 2.264 0 30 BEAC FC(F)(F)c1nsc(Br)n1 213973190 WCPREXLNGTWSDM-UHFFFAOYSA-N 233.012 2.319 0 30 BEAC Brc1coc(Br)n1 216251176 HHJMCPWKOXDTLL-UHFFFAOYSA-N 226.855 2.200 0 30 BEAC Cc1nn2c3c(sc2c1N)CCCC3 39105648 ZLRLLFGGURFWDJ-UHFFFAOYSA-N 207.302 2.165 0 30 BEAC N[C@H]1CCOc2cc(F)c(Br)cc21 116924317 SBMBPLQOIUUGJK-QMMMGPOBSA-N 246.079 2.371 0 30 BEAC C[C@@H](CC1CCNCC1)NC(=O)OC(C)(C)C 215863937 XTZAGVVOHBMUFG-JTQLQIEISA-N 242.363 2.289 0 30 BEAC Clc1nc2n(c1Br)CCC2 215920839 VZNOWZRQXMMGQA-UHFFFAOYSA-N 221.485 2.245 0 30 BEAC O=C(O)c1cccc(N=S2(=O)CCCC2)c1 536957392 JOUFTNCORSKTPB-UHFFFAOYSA-N 239.296 2.278 0 30 BEAC CCC(C)(C)NC(=O)NC1CCC(C)(N)CC1 725263350 QJFDTWJDXKGKBR-UHFFFAOYSA-N 241.379 2.134 0 30 BEAC CC[C@@]1(C)C[C@H](NC(=O)OC(C)(C)C)CN1 2265383664 MNKCVIPXCLYZQU-CABZTGNLSA-N 228.336 2.042 0 30 BEAC CN[C@H](CSC)Cc1ccc(F)cc1 54495516 KLSIBWTZNWZCCS-NSHDSACASA-N 213.321 2.319 0 30 BEAC O[C@@H]1CCCC[C@H]1NCC1CCCCC1 21998080 JQUDVRAZYAVUPF-CHWSQXEVSA-N 211.349 2.460 0 30 BEAC CC(C)COc1ccc(N)c(C(=O)O)c1 37933493 NEPCERJDNFXKOX-UHFFFAOYSA-N 209.245 2.002 0 30 BEAC OCc1c[nH]c2cc(Br)ccc12 50165973 RCOHYZGYMCGKKS-UHFFFAOYSA-N 226.073 2.423 0 30 BEAC COC(=O)c1cnc(Cl)c(C(F)F)c1N 238330272 PUNIWDSTAISKFN-UHFFFAOYSA-N 236.605 2.041 0 30 BEAC C[C@@H]1CC(=O)Nc2ccc(Cl)cc2O1 32217721 OBYMSPNSAICJJD-ZCFIWIBFSA-N 211.648 2.450 0 30 BEAC CN[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 69851522 NXQJSVOBTWNAFS-NEPJUHHUSA-N 209.264 2.265 0 30 BEAC in-vitro CCOC(=O)C(C)(C)CCCC(C)=O 334163782 FPBRSWXMVOLWOS-UHFFFAOYSA-N 200.278 2.335 0 30 BEAC O=C(O)/C=C/[C@H](O)c1ccc(Cl)cc1 4475305 FPLZDFIDWYDARU-CYNONHLPSA-N 212.632 2.014 0 30 BEAC in-vitro CN[C@H](C(=O)OC)c1cccc(Cl)c1Cl 37458359 QNGLXVDXRURQLL-VIFPVBQESA-N 248.109 2.427 0 30 BEAC CC(C)(C)OC(=O)CCC(=O)c1ccncc1 201049000 VSLBQVILPSEVRR-UHFFFAOYSA-N 235.283 2.386 0 30 BEAC C[C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)N1 238480515 FQRMBGGAKFARQJ-DTWKUNHWSA-N 214.309 2.299 0 30 BEAC O=C1CCC[C@@H]2SCCCS[C@@H]12 238790164 AHKUISCJVXNXML-IUCAKERBSA-N 202.344 2.347 0 30 BEAC S=C1SCN(CC2CC2)CN1CC1CC1 20223449 OWWCVXXHBITLBA-UHFFFAOYSA-N 242.413 2.357 0 30 BEAC O=C(O)c1cc(OC2CCCC2)ccn1 36896259 FZQWTQZNDFFAAG-UHFFFAOYSA-N 207.229 2.101 0 30 BEAC CC(C)(C)OC(=O)[C@@](C)(N)c1ccccc1 52880815 SMFLSCJHGMOWSS-ZDUSSCGKSA-N 221.300 2.202 0 30 BEAC OCCc1c(F)cc(Br)cc1F 75856845 VSXAIGBSHKQOPA-UHFFFAOYSA-N 237.043 2.262 0 30 BEAC CC(C)C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 214705822 JOSFJALFHUWUAY-JTQLQIEISA-N 241.331 2.469 0 30 BEAC COc1c(O)cc(Br)cc1F 215837929 TWDRUJLSOCEDKQ-UHFFFAOYSA-N 221.025 2.302 0 30 BEAC Fc1cc(CC2CNC2)ccc1Br 217585982 LWTNHVWXTMPUJD-UHFFFAOYSA-N 244.107 2.350 0 30 BEAC Fc1cc(Br)cc2cncn12 238571834 MBSPCWJTIPZFQD-UHFFFAOYSA-N 215.025 2.236 0 30 BEAC CCOC(=N)[C@@H](O)c1cc(OC)cc(F)c1C 39135038 OEIQYKQBEYFVCD-NSHDSACASA-N 241.262 2.190 0 30 BEAC CS(=O)(=O)c1cccc(-c2ccc(O)cc2)c1 65340117 QFNZGNUCGKFZKD-UHFFFAOYSA-N 248.303 2.463 0 30 BEAC O=C(O)c1cnc2[nH]c(C3CC3)cc2c1 95937284 CWFAVYPNGLAUJA-UHFFFAOYSA-N 202.213 2.139 0 30 BEAC O=C(O)[C@H]1CC[C@H](OCC(F)(F)F)CC1 253496225 YLAMPZFDMABKEY-LJGSYFOKSA-N 226.194 2.209 0 30 BEAC CC(C)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)O 306779041 TZRZWXQCEBWGKY-RKDXNWHRSA-N 245.319 2.256 0 30 BEAC CC(C)(C)n1cc([C@H]2NCC23CCOCC3)cn1 521399188 NNILQYCUMMNHDH-GFCCVEGCSA-N 249.358 2.079 0 30 BEAC Fc1ccc(F)c(CNC2CC2)c1F 716396643 IQEBVUCKLBTSGS-UHFFFAOYSA-N 201.191 2.356 0 30 BEAC N[C@@H]1CCc2cc(Br)c(Cl)nc21 2265385619 RWJWGHBAOVUKOP-ZCFIWIBFSA-N 247.523 2.444 0 30 BEAC Cc1ccc(S(=O)(=O)N[C@H]2C=CC=CC2)cc1 196189382 BWOWCBQULSGVKB-LBPRGKRZSA-N 249.335 2.158 0 30 BEAC CCOC(=O)[C@@]12CCC[C@H]1CC(=O)CC2 212386422 WUEVMRBXTWODMK-JOYOIKCWSA-N 210.273 2.089 0 30 BEAC CC(=O)SCC[C@@H]1CCCCN1C(C)=O 238852615 GOPQOVWBOBOLSX-NSHDSACASA-N 229.345 2.057 0 30 BEAC COC(=O)c1cc2c(F)cc(OC)cc2[nH]1 259845981 YVCSWEUQOJZYPS-UHFFFAOYSA-N 223.203 2.102 0 30 BEAC COC(=O)c1ccncc1-c1cccc(N)c1 2524927 ULEALRZDEYMHBC-UHFFFAOYSA-N 228.251 2.117 0 30 BEAC c1cn(CCCCCCn2ccnc2)cn1 53683994 CHRPUSCNMSNSKL-UHFFFAOYSA-N 218.304 2.340 0 30 BEAC in-vivo CN[C@@H](Cc1ccc(F)cc1)c1nccn1C 69473516 KIBJDPKTDDWUAY-LBPRGKRZSA-N 233.290 2.062 0 30 BEAC CC(C)(C)OC(=O)NCCC[C@@H]1CCCCN1 96987004 IZZIMEZFNPROHM-NSHDSACASA-N 242.363 2.433 0 30 BEAC CC(C)(C)OC(=O)N1CC[C@@H](C2CC2)[C@@H]1CO 219792860 JBPYSRCIABNLNM-QWRGUYRKSA-N 241.331 2.014 0 30 BEAC C[C@H]1[C@H](C(=N)N)C[C@@H](C)N1c1ccccc1 299803551 XPJKPTUBPLKSAC-JFGNBEQYSA-N 217.316 2.226 0 30 BEAC CC[C@@](C)(Oc1ccc(O)cc1)C(=O)OC 72232952 PYYSJAFWJCIFQU-GFCCVEGCSA-N 224.256 2.113 0 30 BEAC O=C(O)[C@H](c1ccncc1)C1CCCC1 82929764 CMKNMANWVVJYCN-NSHDSACASA-N 205.257 2.440 0 30 BEAC COCCO[C@H](C)OCc1ccccc1 95619609 CNGTXGHYZBQUQS-NSHDSACASA-N 210.273 2.212 0 30 BEAC endogenous,in-man C[C@@H](c1ccccc1)[C@@H](N)C(=O)OC(C)(C)C 211206265 WNWAEQQJVUIGDT-CMPLNLGQSA-N 235.327 2.459 0 30 BEAC O=C(O)[C@@H]1CCC[C@H](c2ccccc2)O1 306407177 JJGNIXHMFWWAKF-MNOVXSKESA-N 206.241 2.381 0 30 BEAC COc1cc2c(cc1Cl)C(=O)CCN2 307390809 UIIFNRRLYIROSR-UHFFFAOYSA-N 211.648 2.347 0 30 BEAC CCO[C@@H](C)O[C@@H]1C[C@H]2C[C@H]1C=C2N(C)C 584599916 ZLNXXORAQOJWRU-HNCHTBHHSA-N 225.332 2.239 0 30 BEAC O[C@@H]1C(=Cc2cccs2)N2CCC1CC2 2265233871 XMWJEFWRYXIQQR-LBPRGKRZSA-N 221.325 2.176 0 30 BEAC CC(C)c1ccc([C@]2(C)OC[C@@H](CO)O2)cc1 2001295 LPYIJRGDHWYCLS-ZIAGYGMSSA-N 236.311 2.390 0 30 BEAC Cc1ccc(NC(=O)c2cc(F)ccc2O)nc1 39072988 HEEDPEZMCHITEB-UHFFFAOYSA-N 246.241 2.487 0 30 BEAC CCO[C@@H]1C[C@H]2c3ccccc3CCN2O1 39100536 FXINNBLAJXXLQV-STQMWFEESA-N 219.284 2.284 0 30 BEAC COc1cc(C(=O)O)c2ccc(F)c(F)c2n1 67172051 BZORIVNODNIFTQ-UHFFFAOYSA-N 239.177 2.220 0 30 BEAC c1ccc(CNCc2cncs2)cc1 97150289 CLKFVCVNPULACL-UHFFFAOYSA-N 204.298 2.433 0 30 BEAC Cc1nn2c(c1Br)NC[C@@H](C)C2 250886896 BYVPKQLNDWCNDS-RXMQYKEDSA-N 230.109 2.016 0 30 BEAC CC1(C)C[C@@]23[C@@H]4CC[C@H]1[C@@H]2CC(=O)[C@H]3COC4=O 254074034 BBIDMUQZCCGABN-YFJMAAFGSA-N 248.322 2.191 0 30 BEAC biogenic Nc1cccc([C@H](O)CC(F)(F)F)c1 725343642 ITKRELAXDHPLPJ-MRVPVSSYSA-N 205.179 2.255 0 30 BEAC CC(C)c1ccc([C@@]2(C)OC[C@H](CO)O2)cc1 2001296 LPYIJRGDHWYCLS-KBPBESRZSA-N 236.311 2.390 0 30 BEAC CCOC(=O)CCCCC[C@@H](Cl)C=O 38611209 FMANXNQTSIOTCJ-SECBINFHSA-N 220.696 2.306 0 30 BEAC CNc1ccc(C(N)=S)cc1Cl 62795063 BZKZXIBQTZYTQA-UHFFFAOYSA-N 200.694 2.016 0 30 BEAC in-vitro O=C(O)c1ccc(Cl)c([C@@H]2CCCN2)c1 72202387 OGFWKATXERZNBM-JTQLQIEISA-N 225.675 2.463 0 30 BEAC CCc1nc(Br)sc1C(=O)O 83335951 UJAWSAVHFAQCOQ-UHFFFAOYSA-N 236.090 2.166 0 30 BEAC CCOC(=O)[C@@]12CCCC[C@@H]1CC(=O)CC2 141907318 ZIHARWRTSSAORZ-ZWNOBZJWSA-N 224.300 2.479 0 30 BEAC Cc1cccc(Cl)c1NC1=NCCN1 6071712 PMDBCMLUDMRNFI-UHFFFAOYSA-N 209.680 2.020 0 30 BEAC CCOC(=O)/C=C/[C@H]1C=C(O)C(O)=CC1 145689071 HEZFDDYTGIWAMM-JQTRYQTASA-N 210.229 2.009 0 30 BEAC Nc1ccc(-c2cccc(C(=O)O)c2)c(N)c1 199963737 JUNGLELFLCRWOC-UHFFFAOYSA-N 228.251 2.216 0 30 BEAC Nc1nc(-c2nccs2)cc(C(F)(F)F)n1 171353 FQHHUVFTVKGTIR-UHFFFAOYSA-N 246.217 2.201 0 30 BEAC CN(C)CCOC(=O)CCC1CCCCC1 1842986 MPOYJPINNSIHAK-UHFFFAOYSA-N 227.348 2.452 0 30 BEAC in-man CNC(=O)c1ccc(Br)c(Cl)c1 87908366 ZWBIEYWRJPFGOT-UHFFFAOYSA-N 248.507 2.462 0 30 BEAC CCCCC(=O)NC[C@H](CC(=O)O)CC(C)C 88272431 DNUHOTPMYZEPBP-NSHDSACASA-N 243.347 2.430 0 30 BEAC FC(F)(F)c1coc(Br)n1 95642419 GOJLDYZMFAQWAN-UHFFFAOYSA-N 215.956 2.456 0 30 BEAC Cc1cc(Cl)nc([C@@H]2C[C@H]3CC[C@H]2O3)n1 250972108 XGLCZVZAOZQCHL-IWSPIJDZSA-N 224.691 2.473 0 30 BEAC CCOC(=O)c1ncc(C)cc1Br 260286532 ASJKRFNDSPNAGP-UHFFFAOYSA-N 244.088 2.329 0 30 BEAC Cn1nccc1NC(=O)Nc1ccccc1 116239 DIQHXPDQFAFOPY-UHFFFAOYSA-N 216.244 2.064 0 30 BEAC CC(C)c1ccccc1NC(=S)NCCO 4361683 OYURMPWBQYIMJK-UHFFFAOYSA-N 238.356 2.089 0 30 BEAC CCC[C@@H]1C[C@](C)(OC(C)=O)CCO1 39090696 GURYYNWDVKXZAT-GHMZBOCLSA-N 200.278 2.287 0 30 BEAC endogenous,in-man CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1CO 84319129 VCIBBCGSWUMTGW-WDEREUQCSA-N 243.347 2.310 0 30 BEAC CCCC/C=C/B(O)OC(C)(C)C(C)(C)O 197267819 WLRWNXJQAYVWGD-MDZDMXLPSA-N 228.141 2.319 0 30 BEAC CC(C)(C)OC(=O)NC[C@@]12CCC[C@H]1CCN2 687811992 ZBTWSHIOTBDKMB-GWCFXTLKSA-N 240.347 2.043 0 30 BEAC CCn1c([C@H](O)c2ccccc2)n[nH]c1=S 85189 LSTGRRLDDJXRDC-SECBINFHSA-N 235.312 2.042 0 30 BEAC O=C(O)c1ccccc1NC(=O)N1CCCCC1 4619911 LAOQHTNEOFCCIC-UHFFFAOYSA-N 248.282 2.403 0 30 BEAC CC(C)[C@H]1CC[C@@H](C)C[C@@]1(O)CCO 6030998 PXRXEDWPGDGPQZ-UTUOFQBUSA-N 200.322 2.192 0 30 BEAC Clc1nc2ccc(Br)cn2n1 88190159 VAOPGENYZYIGBQ-UHFFFAOYSA-N 232.468 2.145 0 30 BEAC Cn1ccc(CNc2cccc(C(=O)O)c2)c1 91007408 HPUMYVSQYNGGMO-UHFFFAOYSA-N 230.267 2.335 0 30 BEAC CC(=O)Nc1ccc(C(=O)[C@@H](C)CN(C)C)cc1 198480975 UQYHQZCJEOICST-JTQLQIEISA-N 248.326 2.025 0 30 BEAC Cc1ccn(-c2ccc(C(=O)O)cc2)c1 221531961 SGYKFIAWKYYIGW-UHFFFAOYSA-N 201.225 2.484 0 30 BEAC Cc1ccc2c(Cl)nc(Cl)nn12 575441176 RMDRVTNRJPZHBE-UHFFFAOYSA-N 202.044 2.345 0 30 BEAC Cc1ccnc2c1CCC[C@@H]2C(N)=S 11617016 PWPWEYFVLITGNU-VIFPVBQESA-N 206.314 2.096 0 30 BEAC in-man CN(C)CCCC(=O)OCc1ccccc1 34485205 AEIKFUZQNHDTPX-UHFFFAOYSA-N 221.300 2.072 0 30 BEAC CC(=O)NCCNc1nc2ccccc2cc1C 38805164 UFNZIXHVFHOTHJ-UHFFFAOYSA-N 243.310 2.091 0 30 BEAC CN[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 69851525 NXQJSVOBTWNAFS-VXGBXAGGSA-N 209.264 2.265 0 30 BEAC in-vitro OC/C=C/c1ccc(-c2ncc(F)cn2)cc1 140918751 LEIXBYFVVXPLRS-OWOJBTEDSA-N 230.242 2.288 0 30 BEAC CC(C)(C)OC(=O)NCc1cc(N)cc(F)c1 200976850 NWVJTLMOYGYABV-UHFFFAOYSA-N 240.278 2.433 0 30 BEAC C[C@@H]1CN[C@H](C)CN(Cc2ccccc2)C1 221297744 DETLUDPEYAOXOK-CHWSQXEVSA-N 218.344 2.116 0 30 BEAC CC(C)(C)OC(=O)NCc1ccsc1CO 1535646163 JOKWYRJIIBXEQH-UHFFFAOYSA-N 243.328 2.265 0 30 BEAC CN(C[C@H]1CCCNC1)c1ccccc1 19502830 DUMSCKUGOCOOSG-LBPRGKRZSA-N 204.317 2.122 0 30 BEAC Nc1ccc2[nH]nc(-c3cccnc3)c2c1 31991952 XEWKAEBHIWNHQU-UHFFFAOYSA-N 210.240 2.207 0 30 BEAC in-vitro Fc1ccc(C(F)(F)F)cc1N1CCNCC1 62657060 OLVOSPKOPKMMJX-UHFFFAOYSA-N 248.223 2.254 0 30 BEAC NCc1cc2cc(Br)cnc2o1 83050482 OSYCBLQVXBLELG-UHFFFAOYSA-N 227.061 2.049 0 30 BEAC CC(=O)c1ccc(Br)nc1C 238139170 LQNUDNADALMJIH-UHFFFAOYSA-N 214.062 2.355 0 30 BEAC COC(=O)n1ccc2ccc(Cl)nc21 34427786 YCPHTTJYZGPHIS-UHFFFAOYSA-N 210.620 2.304 0 30 BEAC CCCc1nc(F)sc1C(=O)OCC 39123367 GCYDZTKVZBYSPR-UHFFFAOYSA-N 217.265 2.411 0 30 BEAC C[C@@H]1CC(=O)n2c(nc3ccccc32)C1 39286890 PEPFUZUBUHUZMO-QMMMGPOBSA-N 200.241 2.259 0 30 BEAC CN(C)CC1CCN(C(=O)OC(C)(C)C)CC1 71605918 SRFKYSQSLHKPOK-UHFFFAOYSA-N 242.363 2.195 0 30 BEAC CSc1nc(Cl)c2c(C)n[nH]c2n1 89222654 QWQOORFSBIQZND-UHFFFAOYSA-N 214.681 2.037 0 30 BEAC O=C1CC[C@@H](c2cccc(Br)c2)N1 218436042 RJOAFGQNRQKQSX-VIFPVBQESA-N 240.100 2.400 0 30 BEAC Oc1ccc([C@@H](O)c2ccccc2)c(O)c1 6116252 LVYZWDOXAIFVRX-ZDUSSCGKSA-N 216.236 2.180 0 30 BEAC CC(C)(N)[C@H](O)c1ccc(Br)cc1 19684307 PYQYNZYWOPUGGQ-SECBINFHSA-N 244.132 2.220 0 30 BEAC in-vitro NC(=O)c1cc(Br)sc1Cl 101439792 KHEXSKQEPRORRQ-UHFFFAOYSA-N 240.509 2.263 0 30 BEAC COC(=O)CCc1cc([N+](=O)[O-])ccc1Cl 396149247 GCDXQCXZKLZSRT-UHFFFAOYSA-N 243.646 2.354 0 30 BEAC CCCCCc1sc(N)c(C(N)=O)c1C 100446025 ARQJLEHAVQKWLZ-UHFFFAOYSA-N 226.345 2.470 0 30 BEAC in-vitro COc1ccc(-c2c(C)n[nH]c2C)c(C(=O)O)c1 166816 CBCMTURGULPQFR-UHFFFAOYSA-N 246.266 2.400 0 30 BEAC Cc1cc(C[C@H]2CCCCCN2)ccn1 6792926 WUZGNRMAWBTSDY-CYBMUJFWSA-N 204.317 2.465 0 30 BEAC CCC[C@@](C)(Br)C(=O)OC 95883850 PVXRNWXASGBLCN-SSDOTTSWSA-N 209.083 2.113 0 30 BEAC in-vitro CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CCCN2 685945598 WSMAXRYYFOMQSC-GWCFXTLKSA-N 240.347 2.043 0 30 BEAC O=C(O)c1cc(-c2c(F)cc(F)cc2F)no1 1535823350 ULACRZUFKSQCFK-UHFFFAOYSA-N 243.140 2.457 0 30 BEAC CN1CCC2(CC1)Cc1ccccc1O2 16698339 BZZCGYHKQRWOCM-UHFFFAOYSA-N 203.285 2.086 0 30 BEAC CCOC(=O)c1ccc([C@@H](O)CC)cc1 39117752 DTTSRNBCKONNSB-NSHDSACASA-N 208.257 2.307 0 30 BEAC CC(C)(C)OC(=O)N1CCC[C@@H]1C(C)(C)CN 96894284 PMLZXSZOIFHBNS-SNVBAGLBSA-N 242.363 2.371 0 30 BEAC COC(=O)c1cc(N)c(Br)cc1C 198739924 DNPYFLRPKSBJDF-UHFFFAOYSA-N 244.088 2.126 0 30 BEAC O=C(O)[C@@H]1C[C@H]1c1occc1Br 236451194 WAMRADDSSQQIJG-RFZPGFLSSA-N 231.045 2.230 0 30 BEAC CC(C)(C)n1c(S)nnc1-c1ccncc1 145260 SBFUNUJLIJRPQW-UHFFFAOYSA-N 234.328 2.384 0 30 BEAC C[C@H]1CCc2c(sc(N)c2C(=O)O)C1 33708082 SFZPSNBSCLUXCY-YFKPBYRVSA-N 211.286 2.153 0 30 BEAC c1nc2c(n1C1CCCCC1)CCNC2 82940343 CCGDPOYQUVYLDG-UHFFFAOYSA-N 205.305 2.034 0 30 BEAC CCC(=O)c1cc(C(=O)OC)ccc1C 396043213 URXIBUOZVHPVTA-UHFFFAOYSA-N 206.241 2.374 0 30 BEAC CNc1cc(C)nc(-c2csc(C)n2)n1 123729 VVASNESUJSQEHQ-UHFFFAOYSA-N 220.301 2.259 0 30 BEAC CCN(CCO)c1ccc(N=O)c(C)c1 5139571 GORXOMQYBYURLM-UHFFFAOYSA-N 208.261 2.212 0 30 BEAC Cc1ccc(NC(=O)c2ccccc2N)c(N)c1 68039 HFOVTQHCHWSBNA-UHFFFAOYSA-N 241.294 2.412 0 30 BEAC CCOC(=O)NC(=S)N1[C@H](C)CCC[C@H]1C 172800 GAEUDCPVCVEDNK-RKDXNWHRSA-N 244.360 2.280 0 30 BEAC Cc1cc([C@H](O)CN(C)C)cc(C)c1C 39105612 USEIMAMIUVJLTR-CYBMUJFWSA-N 207.317 2.207 0 30 BEAC Cc1ccc(-c2c(N)cccc2O)cn1 39117565 SGKDXZLBWNGNNO-UHFFFAOYSA-N 200.241 2.345 0 30 BEAC CCCCCN(CCC)CCC(=O)O 71737481 DSBPRSJLVKJQCW-UHFFFAOYSA-N 201.310 2.363 0 30 BEAC in-vitro NCc1cccc(C2(C(F)(F)F)N=N2)c1 146244099 MDQXHBVWVLDNDI-UHFFFAOYSA-N 215.178 2.326 0 30 BEAC CCCCC(=O)CCCCC(=O)OC 196357132 MMKLHNIVCLHWND-UHFFFAOYSA-N 200.278 2.479 0 30 BEAC Brc1ccnc2cnccc12 237965585 LWMQRCZCGKBKPJ-UHFFFAOYSA-N 209.046 2.392 0 30 BEAC Cc1cc(C(F)F)nc(C2(N)CCCC2)n1 616579122 QYCCEHWWVOGBTD-UHFFFAOYSA-N 227.258 2.451 0 30 BEAC Nc1ncnc2[nH]c(C=Cc3ccccc3)nc12 2265279439 CGPWHCJQHWCRNO-UHFFFAOYSA-N 237.266 2.106 0 30 BEAC C[C@H](CN1CCCCC1)Nc1ccccn1 5751379 BWCQXHWVBUZKSP-GFCCVEGCSA-N 219.332 2.368 0 30 BEAC COC(=O)[C@H]1C(=O)C[C@H]2[C@@H](C[C@H]1C)C2(C)C 38272190 UYNUDFDPONXCDC-SDNRWEOFSA-N 224.300 2.047 0 30 BEAC COC(=O)[C@H](O)c1ccc2ccccc2c1 38351039 FYYNCCJQFYAANR-GFCCVEGCSA-N 216.236 2.046 0 30 BEAC COC(=O)CCSc1cccc(Cl)n1 70152414 MZQQXNVTYHZWHB-UHFFFAOYSA-N 231.704 2.390 0 30 BEAC COC(=O)c1c(C)oc2cc(O)ccc12 71261201 ODAVTXGNQNWWJZ-UHFFFAOYSA-N 206.197 2.233 0 30 BEAC OCc1ccc(Oc2ccccn2)cc1 12370378 ZDTXOQRCIVCMLT-UHFFFAOYSA-N 201.225 2.366 0 30 BEAC in-vitro CCOC(=O)CC[C@@H]1CCCC[C@H]1N(C)C 38611815 ZRFQIXZAJFYQED-NWDGAFQWSA-N 227.348 2.450 0 30 BEAC Nc1nc2c(cc(N)c3ccncc32)s1 45237812 IQLYCMQTKMFFBP-UHFFFAOYSA-N 216.269 2.009 0 30 BEAC COC(=O)c1oc2c3ccccc3n(C)c2c1O 100105943 VTFFPEIQNHZSDT-UHFFFAOYSA-N 245.234 2.417 0 30 BEAC CC(=O)Nc1ccc(C(=O)[C@H](C)CN(C)C)cc1 198480989 UQYHQZCJEOICST-SNVBAGLBSA-N 248.326 2.025 0 30 BEAC NCc1cc(F)c(C(F)(F)F)cc1F 202670295 QVRSFXPZNGMKBX-UHFFFAOYSA-N 211.133 2.442 0 30 BEAC Brc1ccn(CC2CCOCC2)n1 307698789 NMXQOBYWDVWGHS-UHFFFAOYSA-N 245.120 2.072 0 30 BEAC COc1ccc(-c2csc(=O)[nH]2)cc1OC 34669794 MUKLXQLQIBNTRJ-UHFFFAOYSA-N 237.280 2.121 0 30 BEAC Cc1cnn(Cc2ccc(Cl)nc2)c1 37677247 BQSQKEZWFWFWID-UHFFFAOYSA-N 207.664 2.288 0 30 BEAC in-vitro Cc1cnn(-c2ccc([C@@H](C)N)cc2F)c1 37677419 SUDPOVMETJIPIY-SECBINFHSA-N 219.263 2.340 0 30 BEAC in-vitro CC(C)N(C(C)C)P1OCCN1C 5760212 NGYNPOFXXRMNJB-UHFFFAOYSA-N 204.254 2.294 0 30 BEAC O=C(CF)Nc1nc2ccccc2s1 45237775 OGYFPBSIZNPWHK-UHFFFAOYSA-N 210.233 2.204 0 30 BEAC CCOc1ccc(C=CC2=NNC(=O)CC2)cc1 2265276260 GOELFBPBOGNXBV-UHFFFAOYSA-N 244.294 2.365 0 30 BEAC CCCCOC(=O)[C@H]1CCCC[C@H]1C(=O)O 5514044 VRHUZZLSVQTROS-ZJUUUORDSA-N 228.288 2.221 0 30 BEAC CC[C@@H](C)c1ccc([C@H](CO)C(=O)O)cc1 39120468 HEXNJMIPLVINJV-SKDRFNHKSA-N 222.284 2.361 0 30 BEAC N[C@H]1CCCc2c1cnn2-c1ccccc1F 82826835 HSWNJHBLQQJBQU-NSHDSACASA-N 231.274 2.348 0 30 BEAC N=c1[nH]c(Cl)nc(Cl)c1C(F)(F)F 2265385212 QUQNRUPFRZRWAV-UHFFFAOYSA-N 231.992 2.215 0 30 BEAC Oc1cc(O)cc(-c2cc(O)cc(O)c2)c1 1846575 VZLUGGCFYPMLMI-UHFFFAOYSA-N 218.208 2.176 0 30 BEAC CC[C@@H]1CCN[C@H]1C1CCN(CC)CC1 3733522 MOUFRUAZVSDGNE-DGCLKSJQSA-N 210.365 2.106 0 30 BEAC CCCCCC(=O)CCCC(=O)OC 5510657 IMUCAHOFGPVTBF-UHFFFAOYSA-N 200.278 2.479 0 30 BEAC biogenic COc1nc(Br)ccc1C(C)=O 95830463 WELLUXBYQCNONQ-UHFFFAOYSA-N 230.061 2.055 0 30 BEAC c1ccc(CN2C[C@@]34CCC[C@@]3(CNC4)C2)cc1 1535320935 YGZQMQLLYOJBSF-IYBDPMFKSA-N 242.366 2.262 0 30 BEAC c1ccc(OCC2=Nc3cnccc3NN2)cc1 1870 NSOWETRRDBSIFL-UHFFFAOYSA-N 240.266 2.121 0 30 BEAC in-man O=Cc1ccc2c(Br)n[nH]c2c1 31776817 XMNMPGXIWLSVOY-UHFFFAOYSA-N 225.045 2.138 0 30 BEAC C[C@H](N)[C@](O)(Cc1ccccc1)c1ccccc1 34064637 ULFVYFVEVJMZAK-XJKSGUPXSA-N 241.334 2.464 0 30 BEAC O[C@@H]1CCc2ccc(Br)cc2C1 238714914 UGQHSPTYEKKEJS-SNVBAGLBSA-N 227.101 2.299 0 30 BEAC O=C(c1ccccc1)c1nccnc1Cl 34446128 HPNXDUXDGMPNOJ-UHFFFAOYSA-N 218.643 2.361 0 30 BEAC C[C@H]1C[C@@H](Cc2ccccc2)CNC1=O 207344535 VJGFPCSAWUVUSX-JQWIXIFHSA-N 203.285 2.001 0 30 BEAC Nc1cccn2cc(-c3ccc(O)cc3)nc12 213553716 ZTMSKRYFQWVAQQ-UHFFFAOYSA-N 225.251 2.289 0 30 BEAC CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](C(=O)O)C1 107930329 ZBUIZJFYOXKOCH-BDAKNGLRSA-N 243.303 2.012 0 30 BEAC NC[C@@H](c1c[nH]c2ccccc12)C(F)F 1536130387 OHOJVFHXUKIVJB-QMMMGPOBSA-N 210.227 2.475 0 30 BEAC CCN(CCN(C)C)c1cccc(C)c1 2243591 PFIBWRMTMDDALJ-UHFFFAOYSA-N 206.333 2.383 0 30 BEAC CN1CCCC[C@@H]1c1[nH]nc2c1CCCCN2 3698248 DZOXZMRPHKDGBV-LLVKDONJSA-N 234.347 2.315 0 30 BEAC CC(C)[C@H](c1ccccc1)N1CCNCC1 20264433 LYOGHBFYBNAXAE-CQSZACIVSA-N 218.344 2.289 0 30 BEAC CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CCN)C1 211079337 OSSNTYYCOGURPB-NXEZZACHSA-N 228.336 2.029 0 30 BEAC CCCCOC(=O)[C@@H]1CCCC[C@H]1C(=O)O 5514030 VRHUZZLSVQTROS-NXEZZACHSA-N 228.288 2.221 0 30 BEAC CC(C)(C)c1nc2ccc(Cl)nn2n1 21298634 UPMICOYKKFCFLK-UHFFFAOYSA-N 210.668 2.075 0 30 BEAC CCOC(=O)c1cn(CC)nc1C(C)C 39101449 YVIZFWLCYPIWID-UHFFFAOYSA-N 210.277 2.203 0 30 BEAC CCOC(=O)CC(=O)c1cccc(F)c1F 75903659 RPAWJNHLGNOQMI-UHFFFAOYSA-N 228.194 2.101 0 30 BEAC CCOC(=O)c1c(Cl)cc(Cl)nc1C=O 223128651 NGVWKKGDMBBRQZ-UHFFFAOYSA-N 248.065 2.378 0 30 BEAC C[C@@H](C(=O)O)c1cc(F)c(F)c(F)c1 306553993 LEVMVLAIIZQRRI-SCSAIBSYSA-N 204.147 2.292 0 30 BEAC CCOC(=O)NC(=S)Nc1ccc(F)cc1 71679 KWBOKXVBZAPTMV-UHFFFAOYSA-N 242.275 2.269 0 30 BEAC CCOC(=O)NC(=S)N1[C@@H](C)CCC[C@@H]1C 172799 GAEUDCPVCVEDNK-IUCAKERBSA-N 244.360 2.280 0 30 BEAC COC(=O)c1cc(Cl)cc2sc(N)nc12 6792879 BMLKUJDKRBSLQO-UHFFFAOYSA-N 242.687 2.319 0 30 BEAC CNC1CCN(C2CCC(C)CC2)CC1 37242077 VUZORLMCLKATJA-UHFFFAOYSA-N 210.365 2.249 0 30 BEAC in-vitro CN[C@@H](C(=O)OC)c1ccc(C(F)(F)F)cc1 37458426 STMZNGHFDRDDTN-SECBINFHSA-N 247.216 2.139 0 30 BEAC N[C@@]1(Cc2ccc(Cl)cc2)CCOC1 83186690 INLOPVUYKOQZNM-LLVKDONJSA-N 211.692 2.000 0 30 BEAC O=C(O)[C@H](Cc1ccc(O)cc1)C(F)(F)F 258426176 GTQFVTJKKODBQR-QMMMGPOBSA-N 234.173 2.198 0 30 BEAC Nc1ccc2c(cnn2C(=O)c2ccccc2)c1 3614919 JQBPQPOOLUEWOO-UHFFFAOYSA-N 237.262 2.307 0 30 BEAC O=C(Nc1cc(O)cc(O)c1)c1ccccc1 6095801 DKYHVEQQTGMTQJ-UHFFFAOYSA-N 229.235 2.350 0 30 BEAC Fc1ccc(CNC2CCOCC2)cc1 20457904 AWGLYZFIAAEFSE-UHFFFAOYSA-N 209.264 2.094 0 30 BEAC in-vitro CC1(C)Oc2ccc(NC3CC3)cc2NC1=O 39124240 GXFYHCBOINYREE-UHFFFAOYSA-N 232.283 2.370 0 30 BEAC Brc1ccc(-n2cccn2)cn1 72192994 NNUFYLIOKMDQDS-UHFFFAOYSA-N 224.061 2.030 0 30 BEAC COC(=O)c1nccc2ccc(C)cc12 82767218 XOCAVISOOIRSQW-UHFFFAOYSA-N 201.225 2.330 0 30 BEAC CC(C)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)O 306779038 TZRZWXQCEBWGKY-BDAKNGLRSA-N 245.319 2.256 0 30 BEAC C=CC(=O)NCc1cccc(OC(C)(C)C)n1 585086835 BEWLWNXRILGWMF-UHFFFAOYSA-N 234.299 2.061 0 30 BEAC C[C@@H](Oc1ccc(Cl)cc1Cl)C(N)=O 115260 PCWMWJKZXONNDD-RXMQYKEDSA-N 234.082 2.246 0 30 BEAC CC[C@H](C)c1ccc([C@H](CO)C(=O)O)cc1 39120470 HEXNJMIPLVINJV-CABZTGNLSA-N 222.284 2.361 0 30 BEAC c1cncc(CCCNCc2ccncc2)c1 76276930 IDACNVFAIAXORH-UHFFFAOYSA-N 227.311 2.199 0 30 BEAC NCc1ncc(-c2cc(Cl)ccc2F)[nH]1 83264746 WRBPJTIQJAMZNX-UHFFFAOYSA-N 225.654 2.328 0 30 BEAC O=C(O)c1nc(Cc2ccccc2)cs1 86518021 FURWYPGXSIFDAL-UHFFFAOYSA-N 219.265 2.432 0 30 BEAC CC(C)(C)OC(=O)N[C@@](C)(C(=O)O)C1CCC1 238196544 INPULSYKJSFPJF-GFCCVEGCSA-N 243.303 2.155 0 30 BEAC CO[C@H](c1ccc(Br)cc1)[C@H](C)N 42956384 WMCBXGLHDYAABK-XVKPBYJWSA-N 244.132 2.484 0 30 BEAC in-vitro CCCN[C@H]1CCCc2c(ccc(O)c2O)C1 201295609 PGXJHBACGVMLOC-NSHDSACASA-N 235.327 2.345 0 30 BEAC C[C@@]12CC[C@@H]3OC(=O)CC[C@H]3[C@H]1CCC2=O 2265385711 IFSUJJKLAULFLL-MPXOCVNLSA-N 222.284 2.087 0 30 BEAC C/C=C\C[C@@H]1CC(=O)C[C@H]1CC(=O)OC 59589205 JYZHNYACTQVZBM-QKMQQOOLSA-N 210.273 2.111 0 30 BEAC biogenic,in-vitro O=C(O)c1cc2c(cn1)Cc1ccccc1-2 84311956 LCCCMEZUKAZPRD-UHFFFAOYSA-N 211.220 2.351 0 30 BEAC CC(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)c(N)c1 150197 FMUUOIILUAMXTO-NXEZZACHSA-N 248.326 2.085 0 30 BEAC CC[C@H](C[C@H](C)O)NC(=O)OC(C)(C)C 39094035 TUOHMCNHHUDBAX-DTWKUNHWSA-N 217.309 2.061 0 30 BEAC O=[N+]([O-])/C=C/c1cnc2ccccc2c1 39117549 YIBJFRUTOAWUEF-AATRIKPKSA-N 200.197 2.482 0 30 BEAC O=C(c1ccccc1)N1c2ccccc2C[C@@H]1O 96328222 KDAUSFJNCBMMDE-AWEZNQCLSA-N 239.274 2.208 0 30 BEAC Cc1cc(F)ccc1OC(=O)C(F)F 194805881 JZFICBOZDSSCPJ-UHFFFAOYSA-N 204.147 2.305 0 30 BEAC Clc1cc2cnnc(Cl)c2cn1 238557444 LMERBODDFHBOQE-UHFFFAOYSA-N 200.028 2.332 0 30 BEAC Nc1cccc(-n2cc(C(F)(F)F)cn2)c1 68591928 ZJMUGLHQYNTZHF-UHFFFAOYSA-N 227.189 2.473 0 30 BEAC in-vitro CC(C)(C)OC(=O)N1CC[C@H](N)C2(CCC2)C1 82327550 KTOPNLWRUUFYQE-JTQLQIEISA-N 240.347 2.125 0 30 BEAC O=NN(CC(F)(F)F)CC(F)(F)F 31483529 YUEXLPFBTMPXCY-UHFFFAOYSA-N 210.077 2.094 0 30 BEAC COc1cc(=O)cc(-c2ccccc2)o1 143218322 FONPQIXOLUNZEO-UHFFFAOYSA-N 202.209 2.315 0 30 BEAC C[C@H](C(=O)O)c1cc(F)c(F)c(F)c1 306553992 LEVMVLAIIZQRRI-BYPYZUCNSA-N 204.147 2.292 0 30 BEAC CC(C)[C@H](C)[C@H](CN)NC(=O)OC(C)(C)C 307274178 MJFPHLGXBDGXKH-UWVGGRQHSA-N 230.352 2.131 0 30 BEAC COc1ccc([C@H]2CCCNC2)cc1C 38539219 SQSVGMGTIAOIPK-LBPRGKRZSA-N 205.301 2.471 0 30 BEAC CC(C)(C)OC(=O)N1CCC2(CC2)C[C@H]1CO 114871792 IGNPZIKVBPDVMR-JTQLQIEISA-N 241.331 2.158 0 30 BEAC CCOC(=O)c1cc(F)c(F)c(N)c1Cl 62350431 WRGHWRKYFABSHT-UHFFFAOYSA-N 235.617 2.377 0 30 BEAC Cc1nn([C@H]2CCCCO2)c(Cl)c1C=O 95774212 ZWJHSPKJYOUCHY-SECBINFHSA-N 228.679 2.357 0 30 BEAC COc1ccc2c(c1)[C@@H](C(F)F)NCC2 220187113 NOLNWFJSMDMHRJ-JTQLQIEISA-N 213.227 2.147 0 30 BEAC C[C@@H](C(=O)O)c1ccnc(C(F)(F)F)c1 307442449 AGJCYZGJEXZNOB-RXMQYKEDSA-N 219.162 2.289 0 30 BEAC C[C@H](CC(=O)O)C(F)(F)C(F)(F)F 1536102403 LBAZMTRJICBWDC-GSVOUGTGSA-N 206.110 2.295 0 30 BEAC c1ccc2c(c1)C[C@H]([C@H]1CCCN1)CN2 12357049 GGYJIOPBXKUYGC-WCQYABFASA-N 202.301 2.023 0 30 BEAC Cc1noc(C)c1COc1ccc(CN)cc1 31972537 SKIQGQZVKMXZFW-UHFFFAOYSA-N 232.283 2.329 0 30 BEAC Cc1cnc(-c2cnc(C)n2C)c(C)c1 39105047 GBCRAPOQBDMMIS-UHFFFAOYSA-N 201.273 2.407 0 30 BEAC S=c1[nH]c2cncc(Br)c2[nH]1 68577555 KZENZWSTVKJVGV-UHFFFAOYSA-N 230.090 2.383 0 30 BEAC in-vitro O=C(O)[C@@H](F)Oc1ccc(Cl)c(F)c1 134369649 YRWPHDAIMAGMIJ-ZETCQYMHSA-N 222.574 2.238 0 30 BEAC CCOC(=O)c1cc2oc(Cl)nc2cn1 382675173 MXYGXVLXPPQQNN-UHFFFAOYSA-N 226.619 2.053 0 30 BEAC CC(C)OC(=O)C1(c2ccccc2)CCNCC1 33607656 JAAXADBRAMYOQN-UHFFFAOYSA-N 247.338 2.259 0 30 BEAC COc1ccc(-c2ccc(CO)cn2)c(OC)c1 39927643 XYQYYHMBUZVRPA-UHFFFAOYSA-N 245.278 2.258 0 30 BEAC NC(=O)CN(Cc1ccccc1)c1ccccc1 10504290 QULZHPITXAKVDV-UHFFFAOYSA-N 240.306 2.179 0 30 BEAC Nc1cccc2c1CN(c1nccs1)C2 11730945 SQZYHRHJPZSHFW-UHFFFAOYSA-N 217.297 2.246 0 30 BEAC in-vitro c1cnc2[nH]cc([C@H]3CCCNC3)c2c1 29131249 NDEZQKHXMUBWSL-VIFPVBQESA-N 201.273 2.030 0 30 BEAC Clc1cnccc1CNCc1ccncc1 83360495 IGCWNJCSGURMNV-UHFFFAOYSA-N 233.702 2.420 0 30 BEAC Cc1cc(Br)c(CN)s1 83678084 IUQZPRPJNSKHSR-UHFFFAOYSA-N 206.108 2.278 0 30 BEAC CCOC(=O)c1c(Br)ccnc1C 95642541 YLQWMYIZFWWUAD-UHFFFAOYSA-N 244.088 2.329 0 30 BEAC Cc1nc(Cl)cc(NCC(F)F)n1 98000868 GJSWVZJNSNWUGE-UHFFFAOYSA-N 207.611 2.115 0 30 BEAC in-vitro CC(C)(C)OC(=O)NCCC(=O)C(F)(F)F 675045653 FJHMYFWPVZARNE-UHFFFAOYSA-N 241.209 2.033 0 30 BEAC COc1cncc(Cc2ccncc2)c1 1250312559 ISFXBTSDKFZBLK-UHFFFAOYSA-N 200.241 2.076 0 30 BEAC Cc1ccc2onc(OC(=O)N(C)C)c2c1 75917 VJOPEIWLIRYIFJ-UHFFFAOYSA-N 220.228 2.197 0 30 BEAC Cc1nc(-c2cccnc2)[nH]c(=O)c1CC1CC1 8648050 CPDTUQALHWJUAZ-UHFFFAOYSA-N 241.294 2.093 0 30 BEAC CS(=O)(=O)c1ccc(-c2ccc(O)cc2)cc1 16946003 IGIZOHXZDDZCTL-UHFFFAOYSA-N 248.303 2.463 0 30 BEAC Nc1ccc(-c2nc(C3CC3)no2)cc1 20552607 NLXXCOORESIOCQ-UHFFFAOYSA-N 201.229 2.196 0 30 BEAC C[C@@H](CC[C@@H](C)O)OC(=O)c1ccccc1O 44710192 SNVAUMORJDHTNM-ZJUUUORDSA-N 238.283 2.099 0 30 BEAC COc1cc(OC)nc(Nc2ccccc2)n1 87489443 HLIGGTCDMPWFCH-UHFFFAOYSA-N 231.255 2.237 0 30 BEAC CC(=O)OCC(=O)[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C 111898379 MXJCPTYDEJUXMD-NHCYSSNCSA-N 224.300 2.191 0 30 BEAC C[C@](CO)(NCc1ccccc1)C(F)(F)F 235738661 CYNILXSMIHUWHA-SNVBAGLBSA-N 233.233 2.090 0 30 BEAC CC[C@@H]1CN(Cc2cnc(C)s2)CC[C@H]1N 251871084 UJWYXJUBMIMGBY-ZYHUDNBSSA-N 239.388 2.011 0 30 BEAC Cc1ccc(CS[C@@H]2NC[C@@H](C)N2)cc1C 19324355 KNDMIDHJXJKVOC-DGCLKSJQSA-N 236.384 2.402 0 30 BEAC Oc1ccc2c(c1)CCN[C@H]2c1ccncc1 33914242 BUDRBFIGEXCTEJ-AWEZNQCLSA-N 226.279 2.022 0 30 BEAC CCC[C@H]1C[C@@](C)(OC(C)=O)CCO1 39090698 GURYYNWDVKXZAT-QWRGUYRKSA-N 200.278 2.287 0 30 BEAC endogenous,in-man N[C@@H](c1ccnc(Cl)c1)C(F)(F)F 95761265 UKFBIPTYPLUXAK-LURJTMIESA-N 210.586 2.297 0 30 BEAC Cc1ccc2c(c1Br)CNCC2 216201517 SOFBLERDSCFPMO-UHFFFAOYSA-N 226.117 2.403 0 30 BEAC Cc1cc(Br)c2[nH]nc(N)c2c1 238529541 LYJWBAIGVFDFJN-UHFFFAOYSA-N 226.077 2.216 0 30 BEAC CCN1CCC[C@@H](c2[nH]nc3c2CCCCN3)C1 3698320 GGPAGYWSUHOXJM-LLVKDONJSA-N 248.374 2.357 0 30 BEAC Cc1cccc([C@H]2NCCc3cc(O)ccc32)n1 33390297 SKSZOMKGBNRXFL-HNNXBMFYSA-N 240.306 2.331 0 30 BEAC Brc1cnc(C2CCNCC2)s1 44122195 JKCFAWHVWHAWMM-UHFFFAOYSA-N 247.161 2.373 0 30 BEAC CC(C)(C)OC(=O)N1CCC[C@@]2(N)CCC[C@@H]12 1554770629 AXIXCCDRBVNDAS-MFKMUULPSA-N 240.347 2.267 0 30 BEAC c1csc(-c2noc(-c3ccno3)n2)c1 114330 FWFNRGKWGCFGNT-UHFFFAOYSA-N 219.225 2.453 0 30 BEAC Nc1ccc(-c2ccccc2)cc1S(=O)(=O)O 2515989 SCMXWXFLUFQKOW-UHFFFAOYSA-N 249.291 2.183 0 30 BEAC OC[C@@H](O)COc1ccc(-c2ccccc2)cc1 6116732 IMXUYOYYNZMNDM-CQSZACIVSA-N 244.290 2.086 0 30 BEAC COc1cc(OC)cc(C2CCNCC2)c1 44135480 DVWVBNPXZPXCMY-UHFFFAOYSA-N 221.300 2.171 0 30 BEAC in-vitro O=Cc1nc(Br)ccc1Cl 95642416 BRTKQMGHLDUCSM-UHFFFAOYSA-N 220.453 2.310 0 30 BEAC Brc1ccc(C2CCNCC2)nc1 95761533 NJJRJGVTDADMTP-UHFFFAOYSA-N 241.132 2.311 0 30 BEAC Cn1c(=O)[nH]c2cc(Cl)c(Cl)cc21 95850670 DSAGNUWLILOLPG-UHFFFAOYSA-N 217.055 2.173 0 30 BEAC COc1cc(CO)cc(OC)c1C(C)C 114845472 GQFPCOJJIOUSMX-UHFFFAOYSA-N 210.273 2.320 0 30 BEAC CCOC(=O)c1[nH]nc(C2CC2)c1Cl 117685869 WCRFEGIUFISMLA-UHFFFAOYSA-N 214.652 2.117 0 30 BEAC CCO[C@@H]1C[C@H](c2ccccc2)C(=O)O1 143253668 UWNOCPOSLHHZDE-MNOVXSKESA-N 206.241 2.080 0 30 BEAC in-vitro O=C1NCCC12CCC(C(F)(F)F)CC2 725378319 DHVWFGXYDXIUSN-UHFFFAOYSA-N 221.222 2.245 0 30 BEAC CCOC(OCC)=C(OCC)OCC 32181919 WQNVSQDMXNPYNW-UHFFFAOYSA-N 204.266 2.259 0 30 BEAC NCCc1nc2ccc3ccccc3c2[nH]1 238594292 YQWNQKSOVHTNGG-UHFFFAOYSA-N 211.268 2.217 0 30 BEAC COCc1ncc(Br)cc1C 584648365 GWJZCNDUZYLWOR-UHFFFAOYSA-N 216.078 2.299 0 30 BEAC CC(=O)[C@H]1CCCN(c2cccc(F)c2)C1=O 1535191164 QXPSEZFXHXQLSA-GFCCVEGCSA-N 235.258 2.158 0 30 BEAC OC[C@]12CC[C@H]1CCN2Cc1ccccc1 1535647393 OHDBTEIWDAFFGP-UONOGXRCSA-N 217.312 2.033 0 30 BEAC COP(=O)(OC)C(SC)SC 2572411 CAHXAVHWMLFWIT-UHFFFAOYSA-N 216.264 2.482 0 30 BEAC N[C@H]1c2ccccc2CC[C@@H]1N1CCCC1 20260082 PMDGVUJWHYIPGG-KBPBESRZSA-N 216.328 2.097 0 30 BEAC CC(=O)O[C@@H](C)CC(=O)c1ccccc1 36438762 MPODLFKNAJBQES-VIFPVBQESA-N 206.241 2.211 0 30 BEAC CS(=O)(=O)c1cccc2c(Cl)ccnc12 39140619 JZNUYJAIJIXLJX-UHFFFAOYSA-N 241.699 2.292 0 30 BEAC CC(C)(C)c1nc2ccccn2c1C(=O)O 62466972 HZCQOMODWMCZOS-UHFFFAOYSA-N 218.256 2.330 0 30 BEAC NC1(c2cccc([C@H]3CCOC3)c2)CC1 95938200 ACZFMDFLUWXYPF-NSHDSACASA-N 203.285 2.138 0 30 BEAC NCCCCCCCCCCP(=O)(O)O 96394985 JXCXYNMSRUFZJX-UHFFFAOYSA-N 237.280 2.244 0 30 BEAC O=C(CCCN1CCCC1)c1ccncc1 2001272 SAXCCTCDVMOMCN-UHFFFAOYSA-N 218.300 2.140 0 30 BEAC CCc1c(C)[nH]c2c1C(=O)[C@@H]1CN(C)CC[C@H]1C2 4217315 PVZMYDPRVUCJKV-CMPLNLGQSA-N 246.354 2.192 0 30 BEAC in-man Cc1cc(=O)n(-c2ccccc2)c(C)c1C(=O)O 32627879 RFKDVOHGQMOTQS-UHFFFAOYSA-N 243.262 2.153 0 30 BEAC CC(C)(CO)CCCNC(=O)OC(C)(C)C 196187757 JIMTZYFCGGSEPC-UHFFFAOYSA-N 231.336 2.310 0 30 BEAC Cc1nc(C2CCNCC2)nc2c1CCCC2 82546193 AVCKCOKWYVJING-UHFFFAOYSA-N 231.343 2.131 0 30 BEAC CC(C)(C)OC(=O)N1CCCC(N)CCC1 146720462 HBJHSGVIYJXPJR-UHFFFAOYSA-N 228.336 2.125 0 30 BEAC CC(=O)OCC[C@@H]1CC(=O)[C@@H](C)C1(C)C 6030474 ODBRWRPMELYFSQ-PSASIEDQSA-N 212.289 2.191 0 30 BEAC NC[C@H](Cc1ccccc1)c1ccccn1 41226351 JLFXXFICMQGLRU-ZDUSSCGKSA-N 212.296 2.367 0 30 BEAC in-vitro Cc1cc(C#N)cc(C)c1/C=C/C(=O)O 115892972 ZNXXQRLMRRFRRN-ONEGZZNKSA-N 201.225 2.273 0 30 BEAC CC(C)(C)OC(=O)[C@@]1(C(=O)O)CC=CCC1 118225767 ZLHYEHGTPDNOOH-LBPRGKRZSA-N 226.272 2.139 0 30 BEAC COc1ccc(C(F)F)c(C(=O)O)c1 214335708 BSPHKISCNKGJBD-UHFFFAOYSA-N 202.156 2.331 0 30 BEAC COc1ccc(Cl)cc1-c1c[nH]nn1 216637736 FMMGPFVADFGYEK-UHFFFAOYSA-N 209.636 2.134 0 30 BEAC in-vitro Cn1c(C(F)(F)F)cnc1C(F)(F)F 2265364208 AGVPGDJRIUMOIM-UHFFFAOYSA-N 218.100 2.458 0 30 BEAC C[C@@H]1N[C@H](C)CO[C@H]1c1ccc(F)c(F)c1 3784051 MVIHNRNKWDNVKW-RGNHYFCHSA-N 227.254 2.403 0 30 BEAC Cc1cc(C(=O)O)c(C)n1[C@@H]1CCCOC1 71010568 GSMINBPUFWCQJM-SNVBAGLBSA-N 223.272 2.155 0 30 BEAC CC(C)[C@H](C)[C@@H](CN)NC(=O)OC(C)(C)C 307274179 MJFPHLGXBDGXKH-VHSXEESVSA-N 230.352 2.131 0 30 BEAC FC(F)(F)c1ncc(Br)o1 714809529 PXHSWJNSJCIITJ-UHFFFAOYSA-N 215.956 2.456 0 30 BEAC O=C(O)[C@@H]1CC[C@H](c2ccc(Cl)cc2)N1 1664701 CIDBGTQSUQXHLM-ZJUUUORDSA-N 225.675 2.218 0 30 BEAC COC(=O)[C@@H](O)c1cccc2ccccc12 34156299 MLGAFFCIJKBSBD-LBPRGKRZSA-N 216.236 2.046 0 30 BEAC CN(C)CCNCCSCc1ccccc1 49900067 WBKGMQQELZNEFU-UHFFFAOYSA-N 238.400 2.071 0 30 BEAC CO[C@@H](c1ccccc1Cl)[C@@H](C)NO 95347601 RKXBNTAHBSGATO-GMSGAONNSA-N 215.680 2.395 0 30 BEAC in-vitro C[C@@H]1C[C@@H](O)CC[C@@H]1NC(=O)OC(C)(C)C 149753369 LSHKCRYYYZBVLM-UTLUCORTSA-N 229.320 2.061 0 30 BEAC COC(=O)c1cc2cc3ccoc3cc2oc1=O 5997514 BDODTGBOXYQHLF-UHFFFAOYSA-N 244.202 2.326 0 30 BEAC c1ccc(C[C@@H]2OC[C@H]([C@H]3CCCCN3)O2)cc1 31703261 BFIHVAAIQMHVLM-RBSFLKMASA-N 247.338 2.113 0 30 BEAC COC(=O)[C@H](O)c1cccc2ccccc12 34156298 MLGAFFCIJKBSBD-GFCCVEGCSA-N 216.236 2.046 0 30 BEAC Cc1nnc2nc(-c3ccccc3Cl)cnn12 33865951 UCZAKWKTMHRJRB-UHFFFAOYSA-N 245.673 2.148 0 30 BEAC O=C(O)c1noc2c1CCc1sccc1-2 49454303 AUFIJELILCQXAG-UHFFFAOYSA-N 221.237 2.200 0 30 BEAC CCOCc1nc(C)c([C@H](C)N)s1 84064983 UKPDHAAAHCVMAB-LURJTMIESA-N 200.307 2.008 0 30 BEAC NC[C@@H](CC(=O)O)c1ccc(C(F)F)cc1 124706619 DDHADMKMBIDYEF-SECBINFHSA-N 229.226 2.141 0 30 BEAC CCOC(=O)[C@@H]1CC(=O)c2cccc(C)c2C1 521399786 QQNVKPTUIKKOED-JTQLQIEISA-N 232.279 2.303 0 30 BEAC Cc1cnc([C@@H](C)N)c(Br)c1 238380196 BTCQDDUFDOHGSN-ZCFIWIBFSA-N 215.094 2.172 0 30 BEAC CCOC(=O)c1cc(C=O)oc1C(F)(F)F 5858089 GGAGOWASDNUXJD-UHFFFAOYSA-N 236.145 2.288 0 30 BEAC C[C@@H](N)c1ccc(-n2cccn2)c(F)c1 19872808 MJZHEFWTFQBKHO-MRVPVSSYSA-N 205.236 2.031 0 30 BEAC in-vitro CC(C)(C)OC(=O)[C@@H]1O[C@@H]1c1ccccc1 34482388 LKKOTPSFKLPCQF-GHMZBOCLSA-N 220.268 2.468 0 30 BEAC Cc1cc(OC(F)(F)F)ccc1[S@](=O)O 144209744 BZCMLLYNZREWFD-UHFFFAOYSA-N 240.202 2.474 0 30 BEAC Cc1cc(N)n(-c2cccc3ncccc23)n1 215828735 AXEOVIBCTJEQNR-UHFFFAOYSA-N 224.267 2.311 0 30 BEAC N[C@H]1CCCCCN(Cc2ccccc2)C1 536949761 YHQJRFDYJPWBLJ-AWEZNQCLSA-N 218.344 2.390 0 30 BEAC CC(=O)Nc1ccccc1SC(C)=O 1737852 YQGDQHHQENADMX-UHFFFAOYSA-N 209.270 2.284 0 30 BEAC CC(=O)N1C=C(C2=NCCCC2)CCC1 5160041 VGALILHZAQZXRB-UHFFFAOYSA-N 206.289 2.138 0 30 BEAC biogenic COc1ccc(Cl)c2[nH]c(=O)ccc12 70054970 MSAMOURBMFCAHP-UHFFFAOYSA-N 209.632 2.190 0 30 BEAC CCOC(=O)[C@]12CCCCC1=NCCC2 196370247 IBTHFRDLDLEHCG-LBPRGKRZSA-N 209.289 2.345 0 30 BEAC COC(=O)[C@@]12CCCCC[C@H]1CC(=O)CC2 222118463 UQKNPEUNVZXMSI-GXFFZTMASA-N 224.300 2.479 0 30 BEAC FC1(F)Oc2cccc(CNC3CC3)c2O1 414233924 BZGQTQAMZVYMNZ-UHFFFAOYSA-N 227.210 2.260 0 30 BEAC O=C(O)Cc1c(Cl)nc(Cl)nc1Cl 2572741 JLBBIHWKLIVGRP-UHFFFAOYSA-N 241.461 2.064 0 30 BEAC CC(C)(C)OC(=O)n1ccc2cc[nH]c(=O)c21 98209807 UUVKBXUBYQEJAJ-UHFFFAOYSA-N 234.255 2.113 0 30 BEAC CC(C)C(=O)Nc1cc(Br)ccn1 116504822 QYRRMFXIRVFLFK-UHFFFAOYSA-N 243.104 2.439 0 30 BEAC O[C@]1(c2cccc(Br)c2)CCOC1 257948305 CUEDNYRETAOGER-SNVBAGLBSA-N 243.100 2.057 0 30 BEAC C[C@@H](Cc1cccc(C(F)(F)F)c1)NCCO 2010952 QAFJMZFAQFGVJS-VIFPVBQESA-N 247.260 2.218 0 30 BEAC in-vitro CCCCN(CCCC)c1nc(C)cc(=O)[nH]1 10013952 SJMFPYRJDWOKSV-UHFFFAOYSA-N 237.347 2.485 0 30 BEAC CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1C(=O)NCCCO 33506481 VBXWUOYNNYFRAX-AGIUHOORSA-N 241.375 2.193 0 30 BEAC CCN[C@H](C)[C@H](O)c1ccc(C)c(C)c1 39105561 OBPVXOPEMRBTNE-YPMHNXCESA-N 207.317 2.335 0 30 BEAC N[C@@H](CC[C@H]1CCCO1)c1cccnc1 83529436 DMNRWEYCFLLCKN-NEPJUHHUSA-N 206.289 2.041 0 30 BEAC Cc1ccc(N[C@@H]2CC[C@H](C(=O)O)C2)nc1 85424483 UGNKJPQQLKGCLW-VHSXEESVSA-N 220.272 2.055 0 30 BEAC Cc1ccccc1[C@H](O)C1CCNCC1 41213956 DTXDCYDUPKNSPV-CYBMUJFWSA-N 205.301 2.028 0 30 BEAC CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1CN 96034597 NYPPQRSVUJQKTO-ZJUUUORDSA-N 228.336 2.029 0 30 BEAC CCOC(=O)c1nsc2ccc(O)cc12 96111257 ITDAEEIRCYJSBY-UHFFFAOYSA-N 223.253 2.179 0 30 BEAC CC(=O)c1sncc1Br 214684576 BEEDUSXMYDFQDF-UHFFFAOYSA-N 206.064 2.108 0 30 BEAC Cn1cc(-c2nc3c(Cl)ccnc3[nH]2)cn1 585164031 NMNIVJWJLQVQQB-UHFFFAOYSA-N 233.662 2.012 0 30 BEAC CC[C@H]1C[C@@H](OC(C)=O)C[C@@H](CC)O1 1070083163 UYOGIVPNUFSNSY-URLYPYJESA-N 200.278 2.286 0 30 BEAC CCC(=O)Nc1cnc(OC)c(C(F)(F)F)c1 78117 ICYVVGFIEUSRQT-UHFFFAOYSA-N 248.204 2.458 0 30 BEAC CC(C)=C(NC(=O)OCc1ccccc1)C(=O)O 2526700 NVFPPWRBEZLYMI-UHFFFAOYSA-N 249.266 2.291 0 30 BEAC CCOC(=O)CC[C@@H](C)SCC(=O)OCC 32137172 ADEVUMSKUFQWSV-SECBINFHSA-N 248.344 2.015 0 30 BEAC N[C@H]1CSC=C2C=CC(Br)=C[C@@H]21 95921497 RSTPUNCMLHKZJC-IUCAKERBSA-N 244.157 2.409 0 30 BEAC CN1C[C@H]2Oc3c(O)cccc3[C@@]23CCC[C@H]1C3 199916369 GGOHBAJDRFZJLG-ZBINZKHDSA-N 245.322 2.279 0 30 BEAC CN(C(=O)OC(C)(C)C)[C@H]1CCC[C@@H](N)C1 211522839 WOZAJTZCTUXUPI-ZJUUUORDSA-N 228.336 2.123 0 30 BEAC FC1(F)C[C@@H]1n1nccc1Br 1535513483 PTCMCILWIOIQLK-BYPYZUCNSA-N 223.020 2.226 0 30 BEAC O=C(O)c1cc(F)c2c(Cl)[nH]nc2c1 14983827 DSANVVGFCFMLEL-UHFFFAOYSA-N 214.583 2.054 0 30 BEAC in-vitro COc1cc(Br)ccc1[C@@H](C)N 60176221 YNTNFAMPGFYIOW-ZCFIWIBFSA-N 230.105 2.477 0 30 BEAC in-vitro N[C@@H]1CSC=C2C=CC(Br)=C[C@H]21 95921496 RSTPUNCMLHKZJC-RKDXNWHRSA-N 244.157 2.409 0 30 BEAC C1CCc2c(noc2C2CCNCC2)C1 107242907 ZVKOALGEDQIONK-UHFFFAOYSA-N 206.289 2.020 0 30 BEAC FC(F)(F)c1nc(Br)co1 215403097 RPVZHCGMNCOGDJ-UHFFFAOYSA-N 215.956 2.456 0 30 BEAC Cc1cc(C)nc(NC(=O)C(F)(F)F)c1 15953405 WPPBLZGTVISNPF-UHFFFAOYSA-N 218.178 2.199 0 30 BEAC O=[S@](c1ccccc1)c1ccccn1 17111426 FVKSIMVGYRWVRD-AWEZNQCLSA-N 203.266 2.248 0 30 BEAC Cc1cc(O)nc([C@@H]2CCC(F)(F)C2)n1 300896610 NEIFYLJDNLIOAL-SSDOTTSWSA-N 214.215 2.393 0 30 BEAC CC(C)c1nc(Cl)c(N)c(Cl)n1 39206899 ITFDRXZFLKKUCK-UHFFFAOYSA-N 206.076 2.489 0 30 BEAC O=C1CCCc2cc(Br)cnc2N1 115217883 YGVGFEMTDHLYIK-UHFFFAOYSA-N 241.088 2.119 0 30 BEAC C[Si](C)(C)CCOCn1ccnc1C=O 196142322 ZPIHRUCXNRKJIF-UHFFFAOYSA-N 226.352 2.008 0 30 BEAC Fc1ccc(Cc2noc([C@H]3CCCN3)n2)cc1 36925430 IYILMVBHWCQFTO-LLVKDONJSA-N 247.273 2.224 0 30 BEAC in-vitro O=C(O)c1ccc(-c2nnc(C(F)F)o2)cc1 109607014 UHNMCIOSDWSVKX-UHFFFAOYSA-N 240.165 2.372 0 30 BEAC Cc1cccc(C)c1NC(=O)c1cc(CO)no1 33893638 NVAIIBMMCLUVTC-UHFFFAOYSA-N 246.266 2.036 0 30 BEAC CS(=O)(=O)c1cccc(-c2cccc(N)c2)c1 95616807 SSKQIEMXGVSYNM-UHFFFAOYSA-N 247.319 2.339 0 30 BEAC Nc1cc(F)c(F)cc1C(=O)c1cccnc1 113623732 KXUBSSFWOFCFMY-UHFFFAOYSA-N 234.205 2.173 0 30 BEAC CCC1(CC)[C@H](C(=O)O)C[C@@H]1[C@@H](C)C(=O)O 39102781 OSSAYYWZEULCCG-HLTSFMKQSA-N 228.288 2.234 0 30 BEAC NCc1ccc(O[C@@H]2CCCCO2)cc1 144149509 LCYFUCXYEJHWDR-GFCCVEGCSA-N 207.273 2.051 0 30 BEAC CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H]1CCN2 687811994 ZBTWSHIOTBDKMB-MFKMUULPSA-N 240.347 2.043 0 30 BEAC Cc1ccc(C(=O)O[C@H]2CN3CCC2CC3)cc1 135987 KZDFOOLFZQGHQL-AWEZNQCLSA-N 245.322 2.246 0 30 BEAC CN(Cc1ncc[nH]1)C(=O)OCc1ccccc1 38863417 NRCBGIYCYGQISH-UHFFFAOYSA-N 245.282 2.178 0 30 BEAC FC(F)(F)c1ncc([C@H]2CCCCN2)cn1 83072708 OXZQLKSABBSWLJ-MRVPVSSYSA-N 231.221 2.310 0 30 BEAC C[C@@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2 114946332 DXESFJJJWBHLJX-FZQKWOKYSA-N 217.312 2.204 0 30 BEAC CC[Si](CC)(CC)CS(=O)(=O)CC 195773293 PKKCXJMUBRZHNP-UHFFFAOYSA-N 222.426 2.469 0 30 BEAC CC(C)(C)OC(=O)N1CC[C@H](N)C[C@H]1C1CC1 217075127 DZFMDUYIUJQKRM-QWRGUYRKSA-N 240.347 2.123 0 30 BEAC CSC1=NC(=CC=Cc2ccccc2)C(=O)N1 2265279441 DSJWKTODCOCNPH-UHFFFAOYSA-N 244.319 2.433 0 30 BEAC COc1ccc(C(=O)CCC(C)=O)cc1 21995444 CVFRDQUUQZKDMJ-UHFFFAOYSA-N 206.241 2.247 0 30 BEAC c1ccc2c(C3=NCCCCN3)c[nH]c2c1 42829044 VGJMKZWSOGHADK-UHFFFAOYSA-N 213.284 2.298 0 30 BEAC c1ccc(OCCCNC2CCOCC2)cc1 52092057 UENSEGUFARZEEU-UHFFFAOYSA-N 235.327 2.224 0 30 BEAC COc1cc2cc(C(=O)O)[nH]c2cc1F 74171945 SPVADTLSOCYXKN-UHFFFAOYSA-N 209.176 2.014 0 30 BEAC CC(=O)NC1CCC(NCc2ccccc2)CC1 236636856 LLGAGWDSZYTHDI-UHFFFAOYSA-N 246.354 2.224 0 30 BEAC C=CC(=O)O[C@@H]1C=C[C@H]2[C@H]3C=C[C@@H](C3)[C@@H]12 256081590 VEVJYJYFAXTUGJ-HKLXJQGRSA-N 202.253 2.092 0 30 BEAC CC(C)O[C@@H](C)[C@]1(C)CO[C@H](C)OC1 306216569 PNLAHFVUUHRTLK-GARJFASQSA-N 202.294 2.199 0 30 BEAC Nc1c(C(=O)O)sc(Cl)c1Cl 2265385228 UBYGDFMGQDPGED-UHFFFAOYSA-N 212.057 2.335 0 30 BEAC C[Si](C)(C)CCOCn1cnc(C=O)c1 196173786 FTWZIUHPQSFIHD-UHFFFAOYSA-N 226.352 2.008 0 30 BEAC CCN(CCOC)c1ccc(N)c(C)c1 2510094 FFAJEKUNEVVYCW-UHFFFAOYSA-N 208.305 2.050 0 30 BEAC CC1(C)CC(=O)[C@H](C(=O)OC(C)(C)C)C1 197724346 CJTBPCDVSFOXPD-MRVPVSSYSA-N 212.289 2.333 0 30 BEAC CC(C)(C)OC(=O)N[C@H]1CCNC2(CCC2)C1 261507239 GTMJBUVQKIEMFM-JTQLQIEISA-N 240.347 2.186 0 30 BEAC Cc1ccc(Nc2cc(=O)[nH]n2C)cc1Cl 164584 MPNBHQMBGNNTKB-UHFFFAOYSA-N 237.690 2.419 0 30 BEAC c1ccc2c(c1)C[C@H]([C@@H]1CCCN1)CN2 12357050 GGYJIOPBXKUYGC-AAEUAGOBSA-N 202.301 2.023 0 30 BEAC CCCCOCCOC(=O)c1ccc(N)cc1 33506733 RROCMBLJWURHGZ-UHFFFAOYSA-N 237.299 2.242 0 30 BEAC C[C@@H](N)c1cn2cccc(Br)c2n1 76792718 BPDLKQNKZJGLJU-ZCFIWIBFSA-N 240.104 2.117 0 30 BEAC O=C(O)[C@H](O)C(c1ccccc1)c1ccccc1 89064177 XFXMPCAPHDKJLJ-CQSZACIVSA-N 242.274 2.264 0 30 BEAC CC(C)(C)OC(=O)NCc1nsc(Cl)n1 138163576 MYBGAELZJWHMAY-UHFFFAOYSA-N 249.723 2.216 0 30 BEAC COc1ncccc1CNCC(C)(C)C 41051406 QTUNDRAFUJBDHN-UHFFFAOYSA-N 208.305 2.226 0 30 BEAC in-vitro NC1(c2cccc([C@@H]3CCOCOC3)c2)CC1 95938192 MOAUDQOGYBFAEA-GFCCVEGCSA-N 233.311 2.112 0 30 BEAC COC(=O)CCc1cccc(Cl)c1O 238359149 ALQOREIKBCOKDG-UHFFFAOYSA-N 214.648 2.151 0 30 BEAC in-vitro COC(=O)C1=C(O)C2=CCCC[C@@H]2C=C1 1565504981 IQPYJJDFNWBYTM-MRVPVSSYSA-N 206.241 2.268 0 30 BEAC Nc1ccc(-c2ccc(Cl)s2)nn1 41225872 YIXXDOGDOPCFJL-UHFFFAOYSA-N 211.677 2.441 0 30 BEAC in-vitro O=C(O)C[C@@H]1CCC(=O)c2ccccc21 238626741 RROPQJGXOBXBTR-QMMMGPOBSA-N 204.225 2.221 0 30 BEAC C[C@@H]1NC[C@H](C)N(Cc2ccccc2)[C@@H]1C 307024548 YWCNGENQNHPONV-RWMBFGLXSA-N 218.344 2.257 0 30 BEAC CC(C)(C)c1cc(CS(=O)(=O)O)ccc1O 1083806949 CHTQBGXNQWZICW-UHFFFAOYSA-N 244.312 2.078 0 30 BEAC CCOC(CN1CCCCCC1)OCC 2508354 SSNAGUIFWGBRSH-UHFFFAOYSA-N 215.337 2.262 0 30 BEAC Nc1ccc2ccc(C(F)(F)F)nc2n1 44029934 GKDPKHXSLLWANT-UHFFFAOYSA-N 213.162 2.231 0 30 BEAC Brc1cccc(C=C2CNC2)c1 86881948 YBZFOVSITSMTTB-UHFFFAOYSA-N 224.101 2.436 0 30 BEAC Fc1cc(Br)c2c(c1)CNCC2 224551834 LBIUHKQWHNECMJ-UHFFFAOYSA-N 230.080 2.234 0 30 BEAC CC(C)(C)OC(=O)C=CC(=O)OC(C)(C)C 4972504 MSVGHYYKWDQHFV-UHFFFAOYSA-N 228.288 2.226 0 30 BEAC CC(C)[C@@H](O)C(F)(F)C(=O)c1ccoc1 34415961 WGFOQXUKMMJILJ-MRVPVSSYSA-N 218.199 2.115 0 30 BEAC CC(C)c1nn(-c2ccccc2)cc1CN 36379930 ALAMOTODCYKTBF-UHFFFAOYSA-N 215.300 2.454 0 30 BEAC in-vitro C[C@@H](CN)Oc1ccccc1C(F)(F)F 43514089 YSQZVZRXQKRHER-ZETCQYMHSA-N 219.206 2.431 0 30 BEAC CC(=O)c1cc(C(=O)O)cc(C(F)(F)F)n1 95766137 XZOJWCBKOZRDRP-UHFFFAOYSA-N 233.145 2.001 0 30 BEAC CC[C@H](CNC(=O)OC(C)(C)C)CC(=O)O 87980746 WJJHVCUDLONELJ-QMMMGPOBSA-N 231.292 2.012 0 30 BEAC ClC1=CCn2cc(Br)nc2O1 91693032 NEVDVQZOMIMJQD-UHFFFAOYSA-N 235.468 2.118 0 30 BEAC COC(=O)c1ccc(C)c2c1CCCN2 200498812 HKMRKPHMLGNMKW-UHFFFAOYSA-N 205.257 2.140 0 30 BEAC COc1ccc([C@H](CCN)C(F)F)cc1 258969344 ULXYFNZIHARRCU-JTQLQIEISA-N 215.243 2.393 0 30 BEAC NC(=O)COc1ccc(Oc2ccccc2)cc1 5292815 JYQDIPJQHCZZFF-UHFFFAOYSA-N 243.262 2.343 0 30 BEAC COc1cc(Cl)nc(C2CCOCC2)n1 1554770666 DSNAVYRYRWDMCH-UHFFFAOYSA-N 228.679 2.033 0 30 BEAC CCc1nn(C)c([C@H]2CCCN2)c1Cl 2210081224 IFNREJFHPSWAHO-MRVPVSSYSA-N 213.712 2.060 0 30 BEAC CCCCc1c(C)nc(N2CCCC2)[nH]c1=O 8648776 QCPJEEIERYUAOK-UHFFFAOYSA-N 235.331 2.021 0 30 BEAC COC(=O)C[C@@H]1CCc2cc(OC)ccc21 95829878 ANKFGULNZWGLMH-JTQLQIEISA-N 220.268 2.288 0 30 BEAC in-vitro O=C1CCc2ccc(OC(F)(F)F)cc2N1 238854976 PZOGKOSXOXELOZ-UHFFFAOYSA-N 231.173 2.470 0 30 BEAC in-vitro NCc1ncc(-c2ccc(F)cc2Cl)[nH]1 70602906 FNMIFPKIJCUPKI-UHFFFAOYSA-N 225.654 2.328 0 30 BEAC COc1ccc(N)c(F)c1Br 238362720 HSADDMONOMGFHW-UHFFFAOYSA-N 220.041 2.179 0 30 BEAC Clc1ccc(NC2=NCCN2)c(Cl)c1 6091946 OLHBOWPZHXCUNR-UHFFFAOYSA-N 230.098 2.365 0 30 BEAC O=C(c1c[nH]c2ccccc12)[C@H]1CCCN1 41227607 ZGCOLLAURCTMLP-GFCCVEGCSA-N 214.268 2.103 0 30 BEAC CC(=O)[C@H](CC(C)C)NC(=O)c1ccccc1 71973177 WUHSVZXHYBMMIK-ZDUSSCGKSA-N 233.311 2.420 0 30 BEAC C[C@@H](N)CC1CCN(C(=O)OC(C)(C)C)CC1 204760376 YXYQDYQALJVGBP-SNVBAGLBSA-N 242.363 2.371 0 30 BEAC O=c1nc(-c2ccccc2)[nH]c2c(O)cccc12 20441 JRDFYUFZPYBDNH-UHFFFAOYSA-N 238.246 2.296 0 30 BEAC in-vivo Nc1cnn(-c2nc3ccccc3s2)c1 3628589 FHXOZUQFLXSUIL-UHFFFAOYSA-N 216.269 2.064 0 30 BEAC O=C(O)CCCCC(=O)Nc1ccccc1 14438485 GJDYPQDCMXGZAT-UHFFFAOYSA-N 221.256 2.270 0 30 BEAC NCc1cccc(Oc2cccnc2)c1 39090713 VYXXAQDHJHQUPN-UHFFFAOYSA-N 200.241 2.333 0 30 BEAC Nc1nc([C@H]2CCCc3ccccc32)no1 63158539 VKXFWABQILNVKP-JTQLQIEISA-N 215.256 2.120 0 30 BEAC in-vitro COc1ccc2c(C(C)=O)nccc2c1 82778709 NNAJTVPEGYHPFK-UHFFFAOYSA-N 201.225 2.446 0 30 BEAC CC(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 139284620 GUXURKSRCUGCCA-VHSXEESVSA-N 227.304 2.269 0 30 BEAC C[C@H]1C[C@H](CC(=O)O)CN1C(=O)OC(C)(C)C 211606187 XKBYUNHRBFIONS-DTWKUNHWSA-N 243.303 2.107 0 30 BEAC CC[C@]1(C)C(=O)CCN1C(=O)OC(C)(C)C 258160428 HRLHBZFWVSLAMB-GFCCVEGCSA-N 227.304 2.365 0 30 BEAC C[C@@H]1CCO[C@H]([C@H]2[C@H](C(=O)O)C2(C)C)C1 308938769 DMJMOLKIANIRIN-XFWSIPNHSA-N 212.289 2.158 0 30 BEAC CC(C)(O)C[C@@](C)(O)c1ccc(F)cc1 3620666 AOLRDGPKSPZUDT-GFCCVEGCSA-N 212.264 2.194 0 30 BEAC NC(=S)Cc1cccc(Br)c1 19269266 KQKCUCUCIFQMLD-UHFFFAOYSA-N 230.130 2.278 0 30 BEAC O=C(O)c1ccc([S@@](=O)C(F)(F)F)cc1 37923285 AAWWFZARYNKTIC-HNNXBMFYSA-N 238.186 2.012 0 30 BEAC Clc1nnc(C2CCOCC2)s1 71051003 KRXCTFZQMXMLFE-UHFFFAOYSA-N 204.682 2.086 0 30 BEAC FC(F)(F)c1ccc(-c2nnc(S)o2)nc1 15924045 CQVNVBQFNZEMDY-UHFFFAOYSA-N 247.201 2.439 0 30 BEAC CCN(CC)Cn1sc2ccccc2c1=O 38634986 AHUSTNSWINPTNT-UHFFFAOYSA-N 236.340 2.362 0 30 BEAC O=Cc1ccccc1-c1cc(C(=O)O)ccn1 65347179 OHDFLVRPNVLYQS-UHFFFAOYSA-N 227.219 2.259 0 30 BEAC COC(=O)c1ccc(NC(=O)c2ccccc2)[nH]1 139729381 LNZZFELTLJRIDS-UHFFFAOYSA-N 244.250 2.054 0 30 BEAC Cn1nc2c(F)cccc2c1Br 220529984 QLYGSLWDDYWEIV-UHFFFAOYSA-N 229.052 2.475 0 30 BEAC COc1ccc(OC)c(SCCC(=O)O)c1 107538 QEYCVYMGAYROMC-UHFFFAOYSA-N 242.296 2.271 0 30 BEAC CN(CCO)c1nc2cc(Cl)ccc2s1 128741 ASBZXONDHKSMOV-UHFFFAOYSA-N 242.731 2.378 0 30 BEAC COP(=O)(CC(=O)Cc1ccccc1)OC 39297623 HQJAUSGLWRLGOI-UHFFFAOYSA-N 242.211 2.284 0 30 BEAC COc1cccc(-c2ccc(CO)cn2)c1 39927629 RLQJQUXEXZORII-UHFFFAOYSA-N 215.252 2.250 0 30 BEAC N[C@@H](c1ccc(O)cc1F)C(F)(F)F 72194721 AZLSNPNMXSHEQM-ZETCQYMHSA-N 209.142 2.093 0 30 BEAC Cc1ccc(NC(=S)N(C)C)cc1F 89313 QOWRKLUNPXQZEG-UHFFFAOYSA-N 212.293 2.393 0 30 BEAC COC(F)(F)C(F)(F)c1ccc(O)nc1 1535639403 AKDUUONYTNATQG-UHFFFAOYSA-N 225.141 2.118 0 30 BEAC O=C(O)C(=O)CCc1ccc2ccccc2c1 59326164 AWILTIUFZAIZPF-UHFFFAOYSA-N 228.247 2.426 0 30 BEAC O=C(O)CCc1ccc(Cl)cc1O 75068410 IJGMYMQGIIORDW-UHFFFAOYSA-N 200.621 2.063 0 30 BEAC C[C@@H]1CCCN(C(=O)OCc2ccccc2)[C@H]1N 306823462 SWFQKBJFZPIORO-DGCLKSJQSA-N 248.326 2.340 0 30 BEAC CCCN1C[C@H]2CN(CCC)C[C@@H](C1)C2 2265336323 VYWAELGYEIUVKY-BETUJISGSA-N 210.365 2.060 0 30 BEAC CCC1(CC)C[C@@H](NC(=O)OC(C)(C)C)CN1 2265385254 XBOIVNNAWSTIMW-SNVBAGLBSA-N 242.363 2.432 0 30 BEAC C[C@@H](O)C(=O)Nc1cc(Cl)cc(Cl)c1 78037 ZJXPSNBSBSJSOE-RXMQYKEDSA-N 234.082 2.313 0 30 BEAC CCCCCCCCNCCC(=O)O 100123178 CZOIUKWGJCDTGF-UHFFFAOYSA-N 201.310 2.411 0 30 BEAC CCOC(=O)[C@@]12CCC[C@@H]1CC(=O)CC2 212386356 WUEVMRBXTWODMK-BXKDBHETSA-N 210.273 2.089 0 30 BEAC COc1cc(C(=O)O)cc(OC(F)F)c1OC 575652843 LYCOURSGVSSEJW-UHFFFAOYSA-N 248.181 2.003 0 30 BEAC CC(C)(C)OC(=O)N[C@]1(C)CC1(F)F 584880373 JDBGQMPHAGWUOO-MRVPVSSYSA-N 207.220 2.309 0 30 BEAC CC(C)(C)OC(=O)N1CCCn2ccnc21 722360224 NDLNGQVKTLSROK-UHFFFAOYSA-N 223.276 2.028 0 30 BEAC Cc1c(O)c(Cl)c(C)c(C(=O)O)c1O 34187364 SRBSHDDHIHGIOX-UHFFFAOYSA-N 216.620 2.066 0 30 BEAC COc1ccc(Cl)c2c1CC(=O)CC2 34514789 TYYGBVYIWWOBMR-UHFFFAOYSA-N 210.660 2.406 0 30 BEAC N[C@@H]1CCOc2c(Br)cc(F)cc21 36928685 NJWYNRUZEDPIDT-MRVPVSSYSA-N 246.079 2.371 0 30 BEAC COc1ccc(OC)c2c1CC(C)(C)C2=O 59613122 NIWNSQWPOVNQAC-UHFFFAOYSA-N 220.268 2.469 0 30 BEAC O=C(O)Cc1ccc(-c2ccccc2)nc1 90694208 OWOOSADJVKQGQA-UHFFFAOYSA-N 213.236 2.376 0 30 BEAC COC(=O)c1noc2cc(Cl)ccc12 145271270 UKLGYWIRNBTQSB-UHFFFAOYSA-N 211.604 2.268 0 30 BEAC O=C(O)C1(c2nccc3ccccc23)CC1 215660339 XVMSJPPUFPMJSP-UHFFFAOYSA-N 213.236 2.351 0 30 BEAC in-vitro COc1cc2c(cc1OC)C(C)=N[C@@H](C)C2 4262288 ZOTQMAVJUAGCKD-QMMMGPOBSA-N 219.284 2.457 0 30 BEAC C1CCN(C2CCC3(CC2)OCCO3)CC1 34505299 SXFWCZVDHUIDDO-UHFFFAOYSA-N 225.332 2.158 0 30 BEAC COc1ccccc1-c1cnccc1N 69841129 CKUAGPIJGSWUDA-UHFFFAOYSA-N 200.241 2.339 0 30 BEAC COC(=O)c1sccc1SC(=O)N(C)C 71781207 FKIOSCMUMOQGQX-UHFFFAOYSA-N 245.325 2.308 0 30 BEAC Clc1cnc(CBr)cn1 114487606 RAYYNUHLKKMEMQ-UHFFFAOYSA-N 207.458 2.025 0 30 BEAC Ic1ccc2c(c1)OCC2 116817610 WYSWTNFLUWTOLA-UHFFFAOYSA-N 246.047 2.226 0 30 BEAC CC(C)c1nnc([C@@H]2CC23CCNCC3)o1 72266798 GPQCZMCXDRFDDP-VIFPVBQESA-N 221.304 2.050 0 30 BEAC N[C@@H](CC(F)(F)F)C(=O)OCc1ccccc1 253179067 ASARFTBQJPRKHV-VIFPVBQESA-N 247.216 2.010 0 30 BEAC N[C@H]1CCOc2c(Br)cc(F)cc21 36928686 NJWYNRUZEDPIDT-QMMMGPOBSA-N 246.079 2.371 0 30 BEAC OCc1ccnc(Oc2ccccc2)c1 40881373 WJEVULAZTYCKKF-UHFFFAOYSA-N 201.225 2.366 0 30 BEAC CCOc1cc2[nH]ccc2cc1C(=O)OC 45806039 WJUDGJWPJJYRQV-UHFFFAOYSA-N 219.240 2.353 0 30 BEAC CN(C)Cc1ccc(Br)cc1N 86705991 DDPRKTNECGOQCA-UHFFFAOYSA-N 229.121 2.093 0 30 BEAC CSCSc1ncccc1C(=O)O 15042356 GNGOZBXBRCKCBK-UHFFFAOYSA-N 215.299 2.192 0 30 BEAC COc1ccc2c(c1)sc1nc(C)c(CO)n12 34463574 FOGSHBKJXPWXPF-UHFFFAOYSA-N 248.307 2.358 0 30 BEAC Cc1cccc2c1[C@H](O)N(CC(C)C)C2=O 39098137 LLWXFNCMIJWRNB-ZDUSSCGKSA-N 219.284 2.098 0 30 BEAC Nc1ccc(-c2c(F)cccc2F)nn1 50867786 CAJOOUCAUURNBU-UHFFFAOYSA-N 207.183 2.004 0 30 BEAC in-vitro C[C@H](C1CC1)n1ncc2cnc(Cl)nc21 95097376 ZGDFVPRQXQRTPG-ZCFIWIBFSA-N 222.679 2.451 0 30 BEAC O=Cc1nnc(-c2ccc(Cl)cc2)o1 95756809 YCEXDFKGMHLOAN-UHFFFAOYSA-N 208.604 2.203 0 30 BEAC COc1c(C)ccc2c1C(=O)O[C@H](C)C2 138496317 GRZLZULYNDSCSQ-MRVPVSSYSA-N 206.241 2.105 0 30 BEAC CC(C)(C)O[C@@H]1OCCO[C@@H]1OC(C)(C)C 140181700 UNMVIWYPFPYOJZ-AOOOYVTPSA-N 232.320 2.316 0 30 BEAC Brc1c[nH]nc1CC1CC1 725261124 NSHLVZUPRBUGCX-UHFFFAOYSA-N 201.067 2.125 0 30 BEAC COC(=O)C1=C(O)C2=CCCC[C@H]2C=C1 1565504982 IQPYJJDFNWBYTM-QMMMGPOBSA-N 206.241 2.268 0 30 BEAC CCCN(F)S(=O)(=O)c1ccc(C)cc1 406323 ANWSCQFYUDOLCH-UHFFFAOYSA-N 231.292 2.280 0 30 BEAC O=Cc1ccccc1OC[C@@H]1CCCCO1 20079422 MXOTWYGOMNMJEP-LBPRGKRZSA-N 220.268 2.447 0 30 BEAC Cc1cc(Br)cc2c1NC(=O)CO2 45328865 IYSDCEZFENKVMP-UHFFFAOYSA-N 242.072 2.088 0 30 BEAC CC(C)[C@@H](CO)N[C@H](C)c1ccccc1F 86121518 VMSRCMNTAXOYQM-ZWNOBZJWSA-N 225.307 2.493 0 30 BEAC Cc1cc(=O)[nH]c2cc(Cl)c(N)cc12 149839469 UMCPOSHBMRPXLK-UHFFFAOYSA-N 208.648 2.072 0 30 BEAC CC(C)(C(=O)O)c1ccncc1Br 306243327 ODWNJTCFTVVPGG-UHFFFAOYSA-N 244.088 2.206 0 30 BEAC O=C1COc2cc(Br)cc(F)c21 714106483 PKLOMFNWGYRJFW-UHFFFAOYSA-N 231.020 2.163 0 30 BEAC CC(C)C[C@@H](C(=O)O)N1CCCCCC1 38086517 NQNDXUCADDEBBB-NSHDSACASA-N 213.321 2.362 0 30 BEAC O=C1CC(CSc2ccc(Cl)cc2)=NN1 100127867 NWIYVZZDWHHYGV-UHFFFAOYSA-N 240.715 2.308 0 30 BEAC CCOC(=O)[C@@H]1CCC(=O)[C@H](C)C1(C)C 335243743 WEWKDSKUVCTQRW-IUCAKERBSA-N 212.289 2.191 0 30 BEAC NC(=S)c1ccc(-c2ccno2)s1 12368952 JPOGKMSUFXOSHM-UHFFFAOYSA-N 210.283 2.037 0 30 BEAC CCOC(=N)[C@H](O)c1cc(C)ccc1OC 39135019 LPPPPTYVIRKQGT-LLVKDONJSA-N 223.272 2.051 0 30 BEAC COc1cccc([C@H](C)[C@H]2CCNC2)c1 70627884 FEWXZMIVEAKPBV-JQWIXIFHSA-N 205.301 2.408 0 30 BEAC FC(F)(F)Cc1nnc(Br)s1 71051562 RDYMXCAGPMNNQH-UHFFFAOYSA-N 247.039 2.405 0 30 BEAC in-vitro COc1ccc(O)c(/C=C(/C)[N+](=O)[O-])c1 83312574 BQEJQPOSCPXSJC-ALCCZGGFSA-N 209.201 2.038 0 30 BEAC CCCC[C@H](CCO)NC(=O)OC(C)(C)C 38436122 CIWJUSQLLYOHTI-SNVBAGLBSA-N 231.336 2.452 0 30 BEAC C[C@@H](C(=O)O)c1cnc(-c2ccccc2)nc1 39121037 QUPOSPUCIJRFCX-SECBINFHSA-N 228.251 2.332 0 30 BEAC C[C@@H](CN1CCCCC1)Nc1ccccn1 5735117 BWCQXHWVBUZKSP-LBPRGKRZSA-N 219.332 2.368 0 30 BEAC CCOC(=O)C(F)(F)[C@@](C)(O)c1ccccc1 36406055 ILFQGBWKIKNCCJ-NSHDSACASA-N 244.237 2.093 0 30 BEAC Cc1nc2sc(Br)cc2c(=O)[nH]1 44672102 FPURGQYERSQEGY-UHFFFAOYSA-N 245.101 2.056 0 30 BEAC in-vitro CCn1ccnc1[C@H](Cc1ccccc1)NC 69497452 JEYPDAQLVVKQKB-ZDUSSCGKSA-N 229.327 2.406 0 30 BEAC C[C@@H](N)[C@@H]1CCCN(Cc2ccsc2)C1 69627034 ACIPRISQWRHXBB-ZYHUDNBSSA-N 224.373 2.307 0 30 BEAC Oc1cc2ccnc(O)c2cc1Br 261507703 LKPAKICQWJTCHK-UHFFFAOYSA-N 240.056 2.409 0 30 BEAC COc1ccc([C@@]23CC[C@@H](C2)[C@H]3C(=O)O)cc1 757542211 JLQDNLMMZXWNIE-DUFXMDAXSA-N 232.279 2.448 0 30 BEAC Brc1ccnc2ccncc12 39241186 IQPRTBZXSSEENH-UHFFFAOYSA-N 209.046 2.392 0 30 BEAC NC[C@@H]1CCN(c2ccc(Cl)cc2F)C1 42590383 BLWDLRVWMXJKHA-QMMMGPOBSA-N 228.698 2.264 0 30 BEAC Nc1cnc2cc(C(F)(F)F)ccc2n1 95830778 DZWCAXPPEMHRBD-UHFFFAOYSA-N 213.162 2.231 0 30 BEAC O=C(O)c1c(Cl)cc(CO)cc1Cl 114059782 YHWBSZXXIOUGGB-UHFFFAOYSA-N 221.039 2.184 0 30 BEAC CCC1(CC)[C@H]([C@H](C)C(=O)O)C[C@H]1C(=O)O 396142098 OSSAYYWZEULCCG-CIUDSAMLSA-N 228.288 2.234 0 30 BEAC O=C1O[C@]2(CC[C@H](C(=O)O)CC2)c2ccccc21 2265339942 CDDYQAWKPYEZMD-KMHCFJFGSA-N 246.262 2.327 0 30 BEAC COc1cc2c(cc1C(=O)O)CCCC2 39277395 AUEIKMZHSUSWNU-UHFFFAOYSA-N 206.241 2.272 0 30 BEAC NCc1ncoc1-c1ccc(F)cc1F 82641214 LBEFUTGHHVLWOH-UHFFFAOYSA-N 210.183 2.079 0 30 BEAC COc1cc(O)c(Br)cc1F 114968971 CJEDJKHQUSEDKE-UHFFFAOYSA-N 221.025 2.302 0 30 BEAC Oc1ccc2c(c1)[C@@H](Cc1c[nH]cn1)CC2 3822129 VTZPAJGVRWKMAG-SNVBAGLBSA-N 214.268 2.388 0 30 BEAC investigational Cc1cc(C)c(Br)c(=O)o1 32219981 PCJLUGUBXDBHFL-UHFFFAOYSA-N 203.035 2.019 0 30 BEAC COC(=O)CCc1ccc(Cl)cc1N 215276242 UCEXETXOGVHWHD-UHFFFAOYSA-N 213.664 2.028 0 30 BEAC O[C@H](CF)c1ccccc1Br 220306327 WKJPNAHOHFDAAD-MRVPVSSYSA-N 219.053 2.452 0 30 BEAC N=c1[nH]c([C@@H]2CC2(Cl)Cl)cs1 2265362277 NUCSARDEGPXQIX-VKHMYHEASA-N 209.101 2.217 0 30 BEAC CCc1cccc(C)c1N1C(=O)COC[C@@H]1C 5956607 DVBDYPDVNRJKNJ-NSHDSACASA-N 233.311 2.309 0 30 BEAC biogenic,in-vitro CC(C)c1nnc2nc(-c3ccccc3)cnn12 33890824 IMTFABUOPLELBG-UHFFFAOYSA-N 239.282 2.310 0 30 BEAC CCCCCN(CCC(=O)O)C(C)C 37654547 MNHLZYINNIMFKI-UHFFFAOYSA-N 201.310 2.362 0 30 BEAC in-vitro CCOC(=O)[C@H](C)CC1CCOCC1 95829236 CQSBWIZPUJXIKT-SECBINFHSA-N 200.278 2.002 0 30 BEAC in-vitro OCCNCC[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2 2265248009 UOZOWNRPSKKJCB-KPWCQOOUSA-N 223.360 2.175 0 30 BEAC CC(C)c1noc(C2CCC(N)CC2)n1 37472105 SQAMXEWMBXQYKK-UHFFFAOYSA-N 209.293 2.178 0 30 BEAC CSc1ncc(Cc2ccccc2)c(O)n1 38293980 YFSCDOVCYRSTTN-UHFFFAOYSA-N 232.308 2.495 0 30 BEAC N[C@@H]1CCc2cc(O)c(Br)cc21 83295829 JCDKOSOUISRKSS-MRVPVSSYSA-N 228.089 2.101 0 30 BEAC OCC1CC(COCc2ccccc2)C1 88241699 QGHAORMEKXCCIC-UHFFFAOYSA-N 206.285 2.222 0 30 BEAC CC(C)(C)OC(=O)N1Cc2cccnc2C1 91353315 NDEUOLKBLJFQCB-UHFFFAOYSA-N 220.272 2.332 0 30 BEAC O=C1C[C@@H](c2ccc(OC(F)(F)F)cc2)CN1 1536066520 ZSFGOWQNOJUPJV-MRVPVSSYSA-N 245.200 2.189 0 30 BEAC O=C(O)C=CC(=O)c1ccc(Cl)cc1 8653255 VQVQEUFKSRHRCT-UHFFFAOYSA-N 210.616 2.164 0 30 BEAC biogenic OCCCc1c(F)c(F)c(F)c(F)c1F 39271423 OHLNWTOENDVTRM-UHFFFAOYSA-N 226.144 2.307 0 30 BEAC OCCc1ccc(F)cc1Br 69049536 AVHIUBUCWYRMQV-UHFFFAOYSA-N 219.053 2.123 0 30 BEAC COc1ccc(C(=O)CC(=O)C(F)F)cc1F 100073892 QNQIALSSNJBPCV-UHFFFAOYSA-N 246.184 2.241 0 30 BEAC C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2 100640195 DXESFJJJWBHLJX-FZZIBODNSA-N 217.312 2.204 0 30 BEAC CC(C)(C)OC(=O)NCC[C@@H]1CC[C@H](N)C1 700769361 ACNGXGHJMGCBSZ-UWVGGRQHSA-N 228.336 2.029 0 30 BEAC CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H](N)C1 1535639693 XVDJJXLPULGZPX-JTQLQIEISA-N 240.347 2.125 0 30 BEAC Cc1cc(O)nc(SCC(=O)C(C)(C)C)n1 13468269 ILJHWOPYMZRUJN-UHFFFAOYSA-N 240.328 2.198 0 30 BEAC CCOC(=N)[C@H](O)c1cc(F)ccc1OCC 34102023 ADXVLXXNRHOWQM-LLVKDONJSA-N 241.262 2.272 0 30 BEAC C[C@@H]1CN(CC(=O)c2ccccc2)C[C@H]1C 39109879 GRSOHFFQZNBUTE-VXGBXAGGSA-N 217.312 2.457 0 30 BEAC CC(C)(C)OC(=O)N1CCC[C@@H]1CCCN 70162421 IMARJCJANVNDAM-JTQLQIEISA-N 228.336 2.125 0 30 BEAC CC(C)[C@H](C(=O)O)n1ccc(C2CC2)n1 82877756 BDLIEDNHRZSELH-SNVBAGLBSA-N 208.261 2.042 0 30 BEAC C[C@](CN)(CC(=O)O)c1ccc(Cl)cc1 85114010 PJRWPVIBQFGSFZ-LLVKDONJSA-N 227.691 2.031 0 30 BEAC CSc1ccc([N+](=O)[O-])c(N)c1F 142425330 JTMKLXVPDXWBMO-UHFFFAOYSA-N 202.210 2.038 0 30 BEAC CC(C)(C)OC(=O)N[C@@](C)(CN)C1CCC1 220524971 NBIBQBHUPJWLDC-LBPRGKRZSA-N 228.336 2.029 0 30 BEAC CC(F)(F)Cn1ccc(Br)n1 575471554 OKCVZFIKIIBOLC-UHFFFAOYSA-N 225.036 2.301 0 30 BEAC O=C(O)C=CC(=O)Nc1ccc2ccccc2c1 177286 MJBXLSQXZHYTSR-UHFFFAOYSA-N 241.246 2.419 0 30 BEAC CCNCC1CCC(CC(=O)OCC)CC1 98181564 LXJAWXNHIKYGQN-UHFFFAOYSA-N 227.348 2.356 0 30 BEAC COc1cc(C)c2cc(C(=O)O)oc2c1 108272342 IZAQATSEIVZBKP-UHFFFAOYSA-N 206.197 2.448 0 30 BEAC Cc1ccccc1C(=O)N=c1sccn1C 254699470 WBNLCFOVCGUFTD-UHFFFAOYSA-N 232.308 2.136 0 30 BEAC COc1ncc(Br)c(C)c1S 2265384762 VCQXUNZPIGFOCS-UHFFFAOYSA-N 234.118 2.450 0 30 BEAC CC(=O)Nc1ccc(-c2cscn2)o1 5160818 IBKLVDQIXAWUDL-UHFFFAOYSA-N 208.242 2.362 0 30 BEAC C[C@H]1CCCN(CCN2CCC[C@@H](C)C2)C1 22033228 YAFHICXFCISWPA-OKILXGFUSA-N 224.392 2.450 0 30 BEAC CCC[C@H]1C[C@](C)(OC(C)=O)CCO1 39090699 GURYYNWDVKXZAT-WDEREUQCSA-N 200.278 2.287 0 30 BEAC endogenous,in-man COc1ccc(F)c(F)c1C1OCCO1 44231212 UOAXGXXQBHXLTM-UHFFFAOYSA-N 216.183 2.019 0 30 BEAC COC(=O)[C@H](N)Cc1cc(Cl)ccc1Cl 83698641 MYEJEFCNQYWDTG-SECBINFHSA-N 248.109 2.036 0 30 BEAC CCc1ccc(OCC(OC)OC)cc1 85351068 FNMDHPGYVASXGH-UHFFFAOYSA-N 210.273 2.247 0 30 BEAC CCCc1c(N)cnn1-c1cc(C)ccn1 85634800 SAPPRVJJYKZWNX-UHFFFAOYSA-N 216.288 2.110 0 30 BEAC in-vitro CCOCC[C@]1(C)CO[C@H](C(C)C)OC1 101191465 UUBPWYVITMKKCM-HAQNSBGRSA-N 216.321 2.448 0 30 BEAC CC(C)(C(=O)O)c1ccc(Br)nc1 145626305 ZHPVQPNDAYSGKC-UHFFFAOYSA-N 244.088 2.206 0 30 BEAC O=C(O)c1cc2c(Br)cccn2c1 238637404 HBKRLJCXLMFGBM-UHFFFAOYSA-N 240.056 2.400 0 30 BEAC O=C(O)c1ccnnc1OCC1CCCCC1 124503315 LLTHUAMOAZEGDQ-UHFFFAOYSA-N 236.271 2.134 0 30 BEAC CCOC(=O)[C@@H](C(=O)Cl)c1ccccc1 138211002 HDXYSWZTJWCYFW-SECBINFHSA-N 226.659 2.099 0 30 BEAC CC(C)(CN)c1cc(C(F)(F)F)ccn1 259573260 YCYVMJKWXVEWMO-UHFFFAOYSA-N 218.222 2.337 0 30 BEAC CCCCCSc1nnc(N)s1 2150981 FWZCZBSIHYLSRI-UHFFFAOYSA-N 203.336 2.403 0 30 BEAC O=C(Nc1cn[nH]c1)OCc1ccccc1 35764509 HOYQHOBEVBNOHC-UHFFFAOYSA-N 217.228 2.158 0 30 BEAC Cc1ccccc1/C=C/C1=NCCCN1 39104908 RBABNYNJAWECBX-BQYQJAHWSA-N 200.285 2.400 0 30 BEAC CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@](C)(O)C2 141108461 SLERKVCWNKEZEG-DDFAGTSDSA-N 241.331 2.299 0 30 BEAC in-vitro CC1=CN(c2ccc(O)cc2)C(=O)CC1 238175417 ZMYIFBGKUPJNHB-UHFFFAOYSA-N 203.241 2.423 0 30 BEAC CC(C)(C)OC(=O)c1ccc(F)nc1F 514277678 JLWDDNJEXNNIBW-UHFFFAOYSA-N 215.199 2.315 0 30 BEAC NC[C@@](O)(c1cccc(Cl)c1)C(F)(F)F 59829230 IERNLDRLQCGYTB-MRVPVSSYSA-N 239.624 2.049 0 30 BEAC Cc1c(Br)cccc1CCN 84479928 SDIFZRQYCSLOHO-UHFFFAOYSA-N 214.106 2.259 0 30 BEAC CNc1cc(-c2ccnc(OC)c2)ccn1 91364330 SFRYBDGYFFCCCM-UHFFFAOYSA-N 215.256 2.194 0 30 BEAC COC(=O)[C@@H](Br)[C@@H](C)C(F)(F)F 219117828 ZXLOLPNINIAKAJ-DMTCNVIQSA-N 249.026 2.121 0 30 BEAC C[C@H]1CN(c2ncnc3ccsc23)C[C@H](C)O1 80545 SVUFRCMCWNRJQQ-IUCAKERBSA-N 249.339 2.305 0 30 BEAC CC(=O)COc1ccc(-c2csnn2)cc1 106930 WAPFJGAFMWJWBJ-UHFFFAOYSA-N 234.280 2.173 0 30 BEAC O=C(O)c1cc2c(F)c(F)c(F)cc2[nH]1 2383985 HPKJHKKYUIXQRR-UHFFFAOYSA-N 215.130 2.283 0 30 BEAC Cc1ccc2cc(C(=O)O)c(C(=O)O)nc2c1C 32099595 ANUZYKZGDFKACM-UHFFFAOYSA-N 245.234 2.248 0 30 BEAC N[C@@H]1CCc2[nH]c(C3CCCCC3)nc2C1 74077955 NYAVATPUTHELAJ-SNVBAGLBSA-N 219.332 2.273 0 30 BEAC Cc1n[nH]c2cc(C(F)(F)F)ncc12 89220327 GKGONVYGANSEJZ-UHFFFAOYSA-N 201.151 2.285 0 30 BEAC C[C@@H](N)[C@@H](NC(=O)OC(C)(C)C)c1ccco1 238384186 YNIOSHIJMIWUIR-PSASIEDQSA-N 240.303 2.193 0 30 BEAC C[C@H]1CC(CNC(=O)OC(C)(C)C)C[C@H](C)N1 306378434 GJFLAZAAQXIUNF-UWVGGRQHSA-N 242.363 2.288 0 30 BEAC COc1ccc(F)cc1CC1(C(=O)O)CC1 49819606 POROHMOKGRIIJR-UHFFFAOYSA-N 224.231 2.242 0 30 BEAC Cc1ccc(N2C[C@@H](C(=O)O)CCC2=O)cc1C 51604312 QIWHCQWAKVFTLS-NSHDSACASA-N 247.294 2.131 0 30 BEAC in-vitro Nc1ncc(C(F)(F)C(F)(F)F)s1 238677830 SQJKZMLBJBUJKN-UHFFFAOYSA-N 218.150 2.379 0 30 BEAC Oc1cc(Br)c(Cl)cn1 238727126 BBRYHLBHGVKBQE-UHFFFAOYSA-N 208.442 2.203 0 30 BEAC CC(C)[C@H](C(=O)O)[C@@H](C)NC(=O)OC(C)(C)C 238793437 LZBYZAYOBAYHGM-BDAKNGLRSA-N 245.319 2.256 0 30 BEAC C[C@H](O)C(=O)O[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 248667332 PKKVIPFBICXMFP-MPXOCVNLSA-N 226.316 2.125 0 30 BEAC COC(=O)C1(c2ccc(C(F)(F)F)nc2)CC1 260326709 OQFZPZCYJSQGKU-UHFFFAOYSA-N 245.200 2.305 0 30 BEAC c1cc2nc3c(nc2c2nonc12)CCCC3 153843 QIYAZKLESAWQTF-UHFFFAOYSA-N 226.239 2.045 0 30 BEAC CN1CCCC[C@@H]1c1nn(C)c2c1CCCCN2 3697781 QHJFIGAGCJJGAI-GFCCVEGCSA-N 248.374 2.325 0 30 BEAC O=C1c2cccnc2CN1Cc1ccccc1 33992593 VHOWSGWNMXNDIA-UHFFFAOYSA-N 224.263 2.238 0 30 BEAC C/C=C(\C)C(=O)OCc1ccc2c(c1)OCO2 38636332 RZTAHPNFDCBEER-YCRREMRBSA-N 234.251 2.425 0 30 BEAC CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H](O)C1 121853769 OJYZYWNWTHPMGT-ZJUUUORDSA-N 229.320 2.062 0 30 BEAC NC1CCC(C[C@@H]2CCCC[C@H]2N)CC1 5133985 NVNXODWZSQEWSM-PYNQCMFNSA-N 210.365 2.412 0 30 BEAC CC(C)(C)OC(=O)NC[C@@H]1NCCC12CCC2 1535054668 FABAUHBYEZTXPP-JTQLQIEISA-N 240.347 2.043 0 30 BEAC CCOC(=O)C[C@@H]1CCc2c(O)cccc21 143306441 RMUAWBIRBXWUIO-VIFPVBQESA-N 220.268 2.375 0 30 BEAC CCC(=O)O[C@@H]1C=C[C@H]2[C@H]3C=C[C@@H](C3)[C@@H]12 379712407 MIXFYHGXLDJZDK-HKLXJQGRSA-N 204.269 2.316 0 30 BEAC Cc1noc(-c2cc(Cl)ccc2O)n1 82644382 GYOANZAOUANFHU-UHFFFAOYSA-N 210.620 2.404 0 30 BEAC Cc1ccc(Br)cc1CN 83256222 NIDNACDTBZSKKP-UHFFFAOYSA-N 200.079 2.216 0 30 BEAC CCOc1cc(Br)c(F)cn1 116878745 BEVZLWQGRVQEOB-UHFFFAOYSA-N 220.041 2.382 0 30 BEAC in-vitro COC(=O)c1cc(C)c2c(c1)CCCN2 584880067 AEOSUHUYLKXMRW-UHFFFAOYSA-N 205.257 2.140 0 30 BEAC CC(C)CN(C(N)=S)C1CCCC1 39112771 ZZOMXABMGQJOLM-UHFFFAOYSA-N 200.351 2.131 0 30 BEAC Cc1nc([C@H]2CCCOC2)sc1C(=O)O 76071196 WYTNXIDKKIJMCI-ZETCQYMHSA-N 227.285 2.044 0 30 BEAC in-vitro CC(C)(C)OC(=O)N[C@@H]1CCC[C@@](C)(O)C1 217776329 MMMVAIAUVIUSBN-BXKDBHETSA-N 229.320 2.205 0 30 BEAC COC1=NCCCC[C@H]1C1CCOCC1 584880023 SMOSJIORUHBOMN-NSHDSACASA-N 211.305 2.258 0 30 BEAC O[C@@H]1C(=Cc2ccccc2F)N2CCC1CC2 2265269937 UKKVANDFEBKGCK-AWEZNQCLSA-N 233.286 2.253 0 30 BEAC CCC(=O)Nc1cc(C(F)(F)F)cnc1OC 78173 OLWMEVJOWCPYJE-UHFFFAOYSA-N 248.204 2.458 0 30 BEAC NCc1nnc(-c2ccc(C(F)(F)F)cc2)o1 50283445 OVQQSGCNGJCTIX-UHFFFAOYSA-N 243.188 2.214 0 30 BEAC Nc1ccc(N=S2(=O)CCCC2)cc1 143430284 NCOUMPRRXNKGBV-UHFFFAOYSA-N 210.302 2.162 0 30 BEAC O=c1[nH]c2c(c(Cl)c1Cl)CCC2 215639449 CLJSUGVAGUNSPW-UHFFFAOYSA-N 204.056 2.170 0 30 BEAC Cc1cc(O)nc([C@H]2CCC(F)(F)C2)n1 300896615 NEIFYLJDNLIOAL-ZETCQYMHSA-N 214.215 2.393 0 30 BEAC C[C@@H](NCc1ccccc1)[C@@H](O)C(F)(F)F 536947479 OMMMWADSOLDJTE-PSASIEDQSA-N 233.233 2.088 0 30 BEAC CCOc1ccc(N)c(Br)c1 34581477 OPZGTOMTJKDDAP-UHFFFAOYSA-N 216.078 2.430 0 30 BEAC Cc1cc(C)cc(OC(=O)[C@H](N)C(C)C)c1 39110379 SFOCCFDOYFIVNE-GFCCVEGCSA-N 221.300 2.192 0 30 BEAC Brc1cccc([C@H]2CCOC2)n1 44121926 CVZVBHZEUCVHTN-ZETCQYMHSA-N 228.089 2.348 0 30 BEAC CC(=O)c1ccc(OCC(F)(F)F)cn1 82049703 IXECYNPZHXXTAN-UHFFFAOYSA-N 219.162 2.225 0 30 BEAC CC1(C)O[C@@H]2Cc3cccc(O)c3C[C@H]2O1 5762613 VHQZRMCDYDICCK-VXGBXAGGSA-N 220.268 2.011 0 30 BEAC in-vitro NC1CCC(N[C@@H]2C[C@@H]2c2ccccc2)CC1 94088495 ALHBJBCQLJZYON-NEXFUWMNSA-N 230.355 2.402 0 30 BEAC Brc1cc(-c2ccncc2)n[nH]1 237993007 DWVSQBAUYHTSRQ-UHFFFAOYSA-N 224.061 2.234 0 30 BEAC CCCCc1cc(N)c(C(=O)O)c(F)c1 675051119 MEZVILCBWDWQPJ-UHFFFAOYSA-N 211.236 2.449 0 30 BEAC CN(C)C=CC(=O)Oc1ccc(Cl)cc1 2265233844 GQDUYLIWFUZASA-UHFFFAOYSA-N 225.675 2.321 0 30 BEAC Clc1ccc([C@H]2C[C@@H]3CC[C@H]2N3)cn1 402872 NLPRAJRHRHZCQQ-IVZWLZJFSA-N 208.692 2.343 0 30 BEAC in-vivo Fc1ccc(Cc2noc(Cl)n2)cc1 53749972 SOSVJYSDQKQTHL-UHFFFAOYSA-N 212.611 2.453 0 30 BEAC CC(=O)c1ccc(CN2CCCC2)cc1 59834917 WFSSZWCJEOTHLF-UHFFFAOYSA-N 203.285 2.485 0 30 BEAC Cc1nc(O)c(Cl)c(C(F)(F)F)n1 75891211 KSEADAIRTMVYRP-UHFFFAOYSA-N 212.558 2.163 0 30 BEAC CNC[C@@]1(C)CCCCN1C(=O)OC(C)(C)C 259289971 VPVXNPVMTMHFQT-CYBMUJFWSA-N 242.363 2.386 0 30 BEAC CC(C)(C)OC(=O)N1CCC=C(C(=O)O)CC1 307139444 BIZVXLWINVPLDJ-UHFFFAOYSA-N 241.287 2.028 0 30 BEAC C[C@H](N)CC[C@H]1CNCc2ccccc21 1535645817 NALYXDIDTXRDTE-JQWIXIFHSA-N 204.317 2.001 0 30 BEAC C=C1CCC(COC(=O)CCC(=O)O)CC1 5157396 AGRYPKJDKAJCRL-UHFFFAOYSA-N 226.272 2.141 0 30 BEAC CCN(CC)c1cccc(OC(C)=O)c1 5316479 SUQCWYXUPPYMOQ-UHFFFAOYSA-N 207.273 2.458 0 30 BEAC Cc1ccccc1Oc1ncnc2[nH]cnc12 16758213 LVYGUKJPQKOPQG-UHFFFAOYSA-N 226.239 2.454 0 30 BEAC COc1cc2ccc(N)cc2cc1OC 39189222 JQGSFVRQRHRJRX-UHFFFAOYSA-N 203.241 2.439 0 30 BEAC CC(C)c1cc(N)c(S(=O)(=O)O)cc1Cl 60077522 KQHWNAANWFZHAZ-UHFFFAOYSA-N 249.719 2.292 0 30 BEAC O[C@H]1CN[C@H](c2cccc(C(F)(F)F)c2)C1 69970296 SROZVXVUBRGZGK-ZJUUUORDSA-N 231.217 2.101 0 30 BEAC in-vitro N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 98210168 XEDSGSRYSSNECI-IMTBSYHQSA-N 230.080 2.403 0 30 BEAC CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H](O)C1 121854228 OJYZYWNWTHPMGT-VHSXEESVSA-N 229.320 2.062 0 30 BEAC CC(C)NC[C@H](O)COc1ccc(C2CC2)cc1 3627695 PHTXELQMXPREHU-AWEZNQCLSA-N 249.354 2.302 0 30 BEAC CCOC(=O)N1CCC2(C1)SCCS2 15042697 OQBMBYVMVRNMQN-UHFFFAOYSA-N 233.358 2.025 0 30 BEAC Clc1nc(C2CCOCC2)ns1 83720076 QDRFLJOBRMEFDT-UHFFFAOYSA-N 204.682 2.086 0 30 BEAC in-vitro O=[S@](O)c1cscc1Br 675062128 GSELNKUGCWRJCB-UHFFFAOYSA-N 227.104 2.091 0 30 BEAC CC(C)(C)c1ccc(-c2cc(=O)[nH]c(=O)o2)cc1 142938 SIJDJNHBQRFNAP-UHFFFAOYSA-N 245.278 2.293 0 30 BEAC CCCSc1nc(-c2ccncc2)n[nH]1 5560751 OUJFPBPZUORSFP-UHFFFAOYSA-N 220.301 2.369 0 30 BEAC CCC(=O)N1C=C([C@H]2CCCCN2)CCC1 32204862 LNZRGMLQBYDXRU-GFCCVEGCSA-N 222.332 2.045 0 30 BEAC O[C@@H]1CCOc2c(Br)cccc21 84150427 VAORXMXHTGIUFI-MRVPVSSYSA-N 229.073 2.265 0 30 BEAC CC(C)c1ccc(O)c(C(=O)c2cn[nH]c2)c1 95935406 RLOJJVIBWMYVKG-UHFFFAOYSA-N 230.267 2.470 0 30 BEAC OCc1nccn1-c1cccc(Cl)c1 238668073 SCNJTZQQSNWJER-UHFFFAOYSA-N 208.648 2.018 0 30 BEAC CCOC(=O)CC(=O)CCCCCF 2040797 LYZYHBFNPRVNND-UHFFFAOYSA-N 204.241 2.039 0 30 BEAC CN1CCC[C@@]12NCCc1c2[nH]c2ccccc12 19324379 FOMGWKRLXRPOLU-OAHLLOKOSA-N 241.338 2.192 0 30 BEAC CCCC[C@@H](CCO)NC(=O)OC(C)(C)C 38436121 CIWJUSQLLYOHTI-JTQLQIEISA-N 231.336 2.452 0 30 BEAC Cc1ccc2c(c1)[C@@H](N)CC1(CCN(C)CC1)O2 75813817 XUFILYTWPKCOFL-ZDUSSCGKSA-N 246.354 2.242 0 30 BEAC S=C(c1ccccc1)N1CCSCC1 101857 JBQQWTHQZPHGRR-UHFFFAOYSA-N 223.366 2.411 0 30 BEAC CCc1c(C(=O)O)cnn1-c1ccc(OC)cc1 6774542 OMMSPYVIZNGJJK-UHFFFAOYSA-N 246.266 2.142 0 30 BEAC in-vitro COC(=O)c1nc(-c2ccccc2)[nH]c1C 35320737 RKLLZTAGGTZGHC-UHFFFAOYSA-N 216.240 2.172 0 30 BEAC O=C(CO)c1cc(Cl)sc1Cl 40449587 IKWAUNIKFDBTAE-UHFFFAOYSA-N 211.069 2.230 0 30 BEAC COc1ccc2c(c1)[C@H](O)C[C@H](C(F)F)O2 43464919 ARCRCIFIKXIOMZ-PSASIEDQSA-N 230.210 2.145 0 30 BEAC O=C1Nc2cccc(Br)c2C1(F)F 95774154 JFNVMGCGDNXXGH-UHFFFAOYSA-N 248.026 2.493 0 30 BEAC CC[C@@]1(NC(=O)OC(C)(C)C)CCCNC1 220524547 WEEAKLWNDDAKIM-GFCCVEGCSA-N 228.336 2.043 0 30 BEAC CCCC[C@@H]1COC[C@@H](C)[C@@H]1OC(C)=O 5821925 XWNKVSFNBVIKJB-JLLWLGSASA-N 214.305 2.391 0 30 BEAC CC(C)(C(=O)O)c1ccc(F)c(F)c1F 61837991 VOVKDXMSTOIOCT-UHFFFAOYSA-N 218.174 2.466 0 30 BEAC CNCc1cc(C(F)(F)F)ccc1OC 82726290 RSLJDQRCJXYBHR-UHFFFAOYSA-N 219.206 2.433 0 30 BEAC COC(=O)C[C@H]1CSc2cc(O)ccc21 144023633 OVBBNSSEXWXZRS-ZETCQYMHSA-N 224.281 2.145 0 30 BEAC O=C(OCC(F)(F)F)Oc1cccnc1 711596047 AWYHAMMIPABSJV-UHFFFAOYSA-N 221.134 2.159 0 30 BEAC O=C1CCN(Cc2ccc3ccccc3n2)CC1 20246587 CDWVSLBYEKADAY-UHFFFAOYSA-N 240.306 2.400 0 30 BEAC CCOc1cncc(/C=C/C[C@H](C)NC)c1 34017309 KJZMFQZAEDAMAE-ZRQQLDRUSA-N 220.316 2.492 0 30 BEAC N[C@]1(C(F)(F)F)CCc2ccccc21 82670807 BVHDBTDFAYSBCV-SECBINFHSA-N 201.191 2.349 0 30 BEAC in-vitro CCOC(=O)[C@@H]1CC12CCSCC2 307754646 ZXYYLWOJBRPCDZ-QMMMGPOBSA-N 200.303 2.083 0 30 BEAC CO/C=C1/C=C(O)C(CCC(=O)OC)=CC1 2265356020 IIWPGUCZPYAZJH-CMDGGOBGSA-N 224.256 2.242 0 30 BEAC Nc1cccc2c1CCN(CC(F)(F)F)C2 38032793 AGJVNWUVONCETK-UHFFFAOYSA-N 230.233 2.189 0 30 BEAC in-vitro N[C@@H]1CCOc2c(Cl)ccc(F)c21 95639108 REXMYOGKXMUMRV-SSDOTTSWSA-N 201.628 2.261 0 30 BEAC CCOP(=O)(OCC)OP1OCCO1 220554306 SGZBQOPNVWJJLY-UHFFFAOYSA-N 244.120 2.458 0 30 BEAC O=C1Nc2cc(Cl)c(Cl)cc2/C1=N/O 38524842 XFKKWKWZFPDVGL-UHFFFAOYSA-N 231.038 2.124 0 30 BEAC Brc1cnc2cnccc2c1 39203674 OYBCABHRRHTJJK-UHFFFAOYSA-N 209.046 2.392 0 30 BEAC COc1cc(NCCC(=O)O)ccc1Cl 232200381 JAXHSAGNXHHADP-UHFFFAOYSA-N 229.663 2.235 0 30 BEAC O=C(N[C@H]1C[C@@H]1c1ccccc1)C(F)(F)F 32137335 ONHHCCWIZDGBTO-BDAKNGLRSA-N 229.201 2.221 0 30 BEAC COC(=O)c1ccn(-c2ccc(Cl)cc2)n1 95829658 VCZRRVSRPYYSSN-UHFFFAOYSA-N 236.658 2.312 0 30 BEAC CCCOC(=O)Oc1ccc(C=O)cc1 135864834 KMBHHVRNNCMBLK-UHFFFAOYSA-N 208.213 2.425 0 30 BEAC CSc1nc(Cl)c2nnn(C(C)C)c2n1 2265356087 PQRQXOYKTSLWTI-UHFFFAOYSA-N 243.723 2.178 0 30 BEAC Cc1nccc(Oc2ccc(CC(=O)O)cc2)n1 54937252 JJHIUNPZLOFLIT-UHFFFAOYSA-N 244.250 2.204 0 30 BEAC Cc1ccc(N2CCC(O)CC2)c(C)c1 58439733 KCDVBIVZSAEBSK-UHFFFAOYSA-N 205.301 2.265 0 30 BEAC OCCc1c(F)cccc1Br 75856842 DZIAYQUNXYWRHS-UHFFFAOYSA-N 219.053 2.123 0 30 BEAC CC(C)(C)OC(=O)N1CCc2cccc(CN)c21 76188329 YQAKBUMNCPAWNH-UHFFFAOYSA-N 248.326 2.443 0 30 BEAC COc1cc(C(F)(F)C(=O)O)ccc1C 131740269 SGFBCCVMRFUEGO-UHFFFAOYSA-N 216.183 2.180 0 30 BEAC CCCC[C@@H]1COC[C@@H](C)[C@H]1OC(C)=O 256012204 XWNKVSFNBVIKJB-YUSALJHKSA-N 214.305 2.391 0 30 BEAC O=C(O)c1nsc2nc(Cl)ccc12 38540618 UZVDSWLWDIGGKI-UHFFFAOYSA-N 214.633 2.043 0 30 BEAC CC(C)[C@H](CO)N[C@H](C)c1ccccc1F 86121521 VMSRCMNTAXOYQM-MFKMUULPSA-N 225.307 2.493 0 30 BEAC Brc1cccc(OC2CC2)n1 95775919 FQAKZOABQOLCNX-UHFFFAOYSA-N 214.062 2.385 0 30 BEAC CC(C)(C)OC(=O)NCC[C@@H]1CC[C@@H](N)C1 700769362 ACNGXGHJMGCBSZ-VHSXEESVSA-N 228.336 2.029 0 30 BEAC CN(CCCCCN)Cc1ccccc1 4226784 PPIDOZCBSCCLAU-UHFFFAOYSA-N 206.333 2.247 0 30 BEAC CCCCOC(=O)[C@H]1CCCC[C@@H]1C(=O)O 5514042 VRHUZZLSVQTROS-UWVGGRQHSA-N 228.288 2.221 0 30 BEAC FC(F)(F)COc1nc(Cl)nc(Cl)n1 61517674 GCFFNZUYUQOBOT-UHFFFAOYSA-N 247.991 2.120 0 30 BEAC COC(=O)[C@@H](Br)[C@H](C)C(F)(F)F 219117754 ZXLOLPNINIAKAJ-IMJSIDKUSA-N 249.026 2.121 0 30 BEAC CC1(C)CC[C@H](CO)N(C(=O)OC(C)(C)C)C1 521399791 REZRWJHXGJTUIK-SNVBAGLBSA-N 243.347 2.404 0 30 BEAC N[C@H](c1ccc(O)cc1F)C(F)(F)F 72194720 AZLSNPNMXSHEQM-SSDOTTSWSA-N 209.142 2.093 0 30 BEAC CC1=Nc2ccccc2C12CCNCC2 79532082 LQGGJVVMNBWIMC-UHFFFAOYSA-N 200.285 2.414 0 30 BEAC Brc1ccc(-c2ncco2)nc1 95709600 ZKECZMBIMGHSCH-UHFFFAOYSA-N 225.045 2.499 0 30 BEAC Cc1ccccc1C12CC(C(=O)O)(C1)[C@H]2F 2265384554 RTUYFJOBWSHOIP-PKSQDBQZSA-N 220.243 2.449 0 30 BEAC CN(C(=O)c1ccccc1)[C@@H]1CCCC[C@@H]1O 10328810 JQOZSLMREYIJDE-OLZOCXBDSA-N 233.311 2.062 0 30 BEAC CC(=N/O)/C(C)=N/Nc1ccc([N+](=O)[O-])cc1 106519022 FOJBDPWRVOUZOL-NVGJIZNYSA-N 236.231 2.233 0 30 BEAC CC(=Nc1nc2ccccc2[nH]1)[C@H]1CCOC1=O 254352462 TXIJGUHNNCGKQE-SECBINFHSA-N 243.266 2.218 0 30 BEAC COc1ccc(-c2onc(C)c2C(=O)O)cc1 19682436 KHOOMTRVPBUDMG-UHFFFAOYSA-N 233.223 2.357 0 30 BEAC CN(C)C(=O)Nc1cc(C(C)(C)C)no1 39475292 QBVVHKDTQWZQJB-UHFFFAOYSA-N 211.265 2.066 0 30 BEAC CC(=O)Oc1cccc(CC(=O)C(F)(F)F)c1 197166487 JZHOGTMRQWYMRI-UHFFFAOYSA-N 246.184 2.286 0 30 BEAC Nc1ccc(C(=O)c2ccccc2)cc1C(=O)O 198712957 BSBADYGSBMGTBF-UHFFFAOYSA-N 241.246 2.198 0 30 BEAC CC(C)(C)OC(=O)N[C@H]1CNCc2ccccc21 228776040 MQHAYLHGSZWLNR-LBPRGKRZSA-N 248.326 2.356 0 30 BEAC CC(=O)[C@@H]1CCCN(c2ccccc2)C1=O 688605540 PILPATAVOYVCMA-LBPRGKRZSA-N 217.268 2.019 0 30 BEAC CNCc1cc(Cl)ncc1Br 1536026550 HMWAUDJBMYQZMH-UHFFFAOYSA-N 235.512 2.217 0 30 BEAC COC(=O)c1c(C)n[nH]c1COc1ccccc1 4339052 SDTLSKBLRRFPEG-UHFFFAOYSA-N 246.266 2.084 0 30 BEAC COC(=O)c1ccc2c(C=O)ccccc1-2 14488691 JGADTJRHGIFPNG-UHFFFAOYSA-N 214.220 2.391 0 30 BEAC CNC[C@H]1CCCO[C@H]1c1ccccc1 47843817 ZXKAIBMKDZEEGN-OLZOCXBDSA-N 205.301 2.374 0 30 BEAC in-vitro Fc1ccc(Cc2nc(Cl)no2)cc1 95774196 OYMGSSCFJMVHRO-UHFFFAOYSA-N 212.611 2.453 0 30 BEAC COc1cc([C@H]2CCNC2)cc(F)c1F 215654969 YTPQHHDEAKDEBB-ZETCQYMHSA-N 213.227 2.050 0 30 BEAC Fc1cc2c(cc1Br)CCNC2 216460976 ARASSUFLYYKDGN-UHFFFAOYSA-N 230.080 2.234 0 30 BEAC CCOC(=O)N1CCCCC[C@H]1OCC 39100170 ICYFWSHLUBNHJG-SNVBAGLBSA-N 215.293 2.382 0 30 BEAC CN(C)c1ccc(-c2ccc(N)nc2)cc1 52886375 GQQZKJLMUQSQFK-UHFFFAOYSA-N 213.284 2.397 0 30 BEAC Brc1nc(C2CC2)ns1 83669849 FJKWDKYPIXOIMD-UHFFFAOYSA-N 205.080 2.178 0 30 BEAC in-vitro CC(=O)Nc1nc(-c2ccco2)cs1 1854339 SCETYKYVVZNOSP-UHFFFAOYSA-N 208.242 2.362 0 30 BEAC COC(=O)c1cc2cc(F)cc(F)c2[nH]1 14984877 ZMDWACYWJDIIJP-UHFFFAOYSA-N 211.167 2.233 0 30 BEAC in-vitro Fc1cc([C@H]2CCNC2)cc(F)c1F 62720770 HHSDWOQIXNBUGL-LURJTMIESA-N 201.191 2.181 0 30 BEAC CCOC(=O)CCCCCC[C@H]1CO1 113094530 IATWGCYSNAGZJB-JTQLQIEISA-N 200.278 2.289 0 30 BEAC C[C@@]12CCC(=O)N1[C@@H](c1ccccc1)CO2 1081375 JVEHIYMWPAQEIR-DGCLKSJQSA-N 217.268 2.097 0 30 BEAC CCc1ccc(-c2cnnc(OC)n2)cc1 33868568 PUNSCCWTMKPOQF-UHFFFAOYSA-N 215.256 2.110 0 30 BEAC CCOCc1cc(Cl)nc(Cl)n1 72194564 LAKFUTVFNIDEAC-UHFFFAOYSA-N 207.060 2.320 0 30 BEAC O=C(O)c1cnc(Cl)nc1NC1CCCC1 225072116 HOLLUKAWHLFZAQ-UHFFFAOYSA-N 241.678 2.183 0 30 BEAC O=C1CC2(CCNCC2)C[C@H](c2ccccc2)N1 725383695 OXLNFIKCYPMECT-CYBMUJFWSA-N 244.338 2.008 0 30 BEAC Cc1cc(C)c2cc(C(=O)O)c(C(=O)O)nc2c1 32099482 OTTGUNWLXHAZHF-UHFFFAOYSA-N 245.234 2.248 0 30 BEAC COC[C@H](N)c1cccc(Br)c1 77358930 OXIKOZKITYOZAS-VIFPVBQESA-N 230.105 2.095 0 30 BEAC COc1nc(CN)ccc1OCc1ccccc1 216657590 ILUTVGBBKSMFIV-UHFFFAOYSA-N 244.294 2.128 0 30 BEAC CCOP(=O)(OCC)[C@]1(C)CCCN1 22057376 UJLWZCRCTUPTKJ-SECBINFHSA-N 221.237 2.352 0 30 BEAC in-vitro Cc1nc2ccc(C(F)(F)F)cc2[nH]c1=O 32067124 QVBCXXWMNSIAGY-UHFFFAOYSA-N 228.173 2.250 0 30 BEAC CCCCNCC1CN(C(=O)OC(C)(C)C)C1 91353043 MXWADGDJCVOIDI-UHFFFAOYSA-N 242.363 2.243 0 30 BEAC C[C@H](CN)C1CCN(C(=O)OC(C)(C)C)CC1 96987051 PTEZZJBZOYXSCW-SNVBAGLBSA-N 242.363 2.228 0 30 BEAC C[C@H]1CN(Cc2ccccc2)CC[C@H]1CN 685939344 WMERLLDQCPOUQM-JSGCOSHPSA-N 218.344 2.103 0 30 BEAC C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCC1=O 2265384658 GAXQNHMLUMVDFL-RKDXNWHRSA-N 227.304 2.269 0 30 BEAC C[C@@H](Oc1cccc(Cl)c1)c1nnc(N)o1 51018271 DMEBAUPNLYOXKK-ZCFIWIBFSA-N 239.662 2.445 0 30 BEAC in-vitro Brc1cccc([C@H]2CCCN2)n1 72193312 OXMSTXNPMORHBL-SSDOTTSWSA-N 227.105 2.269 0 30 BEAC Nc1cc(F)c(OC(F)F)cc1S 82474592 WGNOZBDWSMIUQU-UHFFFAOYSA-N 209.192 2.298 0 30 BEAC C[C@@H](N)CC[C@@H]1CNCc2ccccc21 1535645824 NALYXDIDTXRDTE-ZYHUDNBSSA-N 204.317 2.001 0 30 BEAC O=C1Nc2ccccc2[C@H]1Cc1ccccn1 157100 PUNDIKJAFURLNT-GFCCVEGCSA-N 224.263 2.360 0 30 BEAC CCOC(=O)C[C@@H]1OCCc2ccccc21 34504432 WXCSEPMUDFZOST-LBPRGKRZSA-N 220.268 2.254 0 30 BEAC CCCC[C@H](O)COC[C@H](O)CCCC 38643378 RYRFLXXPQQYFTJ-TXEJJXNPSA-N 218.337 2.105 0 30 BEAC CC(C)(C)Sc1cccc(C(=N)N)n1 81622657 WMZDCYOZVXCRNL-UHFFFAOYSA-N 209.318 2.256 0 30 BEAC in-vitro O=C(O)[C@@H](O)CCCCCc1ccccc1 95829946 CBTJVUUTIZLNKZ-LBPRGKRZSA-N 222.284 2.235 0 30 BEAC COC(=O)c1ccc2[nH]cc(Cl)c2n1 44712884 ABFXVHXUEKWWBD-UHFFFAOYSA-N 210.620 2.003 0 30 BEAC in-vitro CC(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 215085597 RAJZCIOEJRDKLT-JTQLQIEISA-N 227.304 2.223 0 30 BEAC c1cncc([C@H]2Cc3ccccc3CN2)c1 238044626 LZCPECAMPSXIAV-CQSZACIVSA-N 210.280 2.469 0 30 BEAC CCOC(=O)[C@@H]1CCC(=O)C[C@@H]1C(F)(F)F 685945679 ASWATKRNDNOHEP-SFYZADRCSA-N 238.205 2.097 0 30 BEAC CC(C)OC(=O)NCCc1ccccc1 1998811 HZMHUMWAGBXLBY-UHFFFAOYSA-N 207.273 2.364 0 30 BEAC C[C@@H]1Cc2cccc(Br)c2CN1 70653016 UNVOLWWRSRUVQQ-SSDOTTSWSA-N 226.117 2.483 0 30 BEAC in-vitro N[C@H]1CCCc2cc(O)c(Br)cc21 83324551 MPHSSXCLAAEXQX-VIFPVBQESA-N 242.116 2.491 0 30 BEAC CCCC[C@@H]1COC[C@H](C)[C@H]1OC(C)=O 100208584 XWNKVSFNBVIKJB-MVWJERBFSA-N 214.305 2.391 0 30 BEAC O=C(O)c1cc2c(Br)coc2cn1 114694103 SCNMZFUBMZMTFJ-UHFFFAOYSA-N 242.028 2.289 0 30 BEAC CC(C)(C)OC(=O)N1[C@H](CN)C[C@@H]2CCC[C@@H]21 114856469 MJQHQXCRFBXKHR-DCAQKATOSA-N 240.347 2.123 0 30 BEAC C[C@@H](CC(=O)O)C(F)(F)C(F)(F)F 1536102404 LBAZMTRJICBWDC-VKHMYHEASA-N 206.110 2.295 0 30 BEAC CN1CCC[C@]12NCCc1c2[nH]c2ccccc12 19324376 FOMGWKRLXRPOLU-HNNXBMFYSA-N 241.338 2.192 0 30 BEAC O=c1[nH]c2c(F)c(F)c(F)c(F)c2s1 45237359 OPBOLOXZRRXSAJ-UHFFFAOYSA-N 223.150 2.146 0 30 BEAC Cc1cc2oc(=O)ccc2c2sc(N)nc12 196519819 IUKQNHVJWQPWPC-UHFFFAOYSA-N 232.264 2.293 0 30 BEAC CC(C)(C)OC(=O)NCCC1(N)CCCC1 257886628 GETYYJMBMPJQIW-UHFFFAOYSA-N 228.336 2.173 0 30 BEAC Fc1ncnc(Cl)c1Br 575459448 JKAXUOASKGSMDL-UHFFFAOYSA-N 211.421 2.032 0 30 BEAC C[C@H](Oc1ccc(F)cc1)C(=O)C=CN(C)C 8657531 SIJZGDNPBRHVBR-JTQLQIEISA-N 237.274 2.237 0 30 BEAC Nc1ccc(SCCN2CCCC2)cc1 37182436 WYFHOHUWGHPEGV-UHFFFAOYSA-N 222.357 2.457 0 30 BEAC Nc1ccc(-c2cnc[nH]2)cc1Br 207003549 AEGVOQFUXQTYPT-UHFFFAOYSA-N 238.088 2.421 0 30 BEAC CC(C)=CCC/C(C)=C/C1OCC(O)CO1 5158508 NUQAIRUKFLHEIK-YRNVUSSQSA-N 226.316 2.413 0 30 BEAC OCc1nc2ccc(Br)cc2o1 35323057 VLOCHTRDDAURDT-UHFFFAOYSA-N 228.045 2.083 0 30 BEAC in-vitro C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N[C@@H]1C 306273988 JRWSHTPBPKDBAQ-MXWKQRLJSA-N 242.363 2.288 0 30 BEAC Cc1ccc(C(=O)O[C@@H]2CN3CCC2CC3)cc1 135989 KZDFOOLFZQGHQL-CQSZACIVSA-N 245.322 2.246 0 30 BEAC Nc1cnc(-c2cccc3ccccc23)c(N)n1 35570160 ICRHXJKFAWYADY-UHFFFAOYSA-N 236.278 2.461 0 30 BEAC COC(=O)c1ccc(O[C@H]2CCCCO2)cc1 36421455 KDMICHPWNLJREW-LBPRGKRZSA-N 236.267 2.379 0 30 BEAC COc1c(C)cc(O)cc1Br 39109848 OEOUXIYJVORICL-UHFFFAOYSA-N 217.062 2.472 0 30 BEAC O[C@@H]1CCc2c(OCC3CC3)cccc21 62800767 XHTOWGIAEQBHBP-GFCCVEGCSA-N 204.269 2.455 0 30 BEAC in-vitro Cc1cc(NN)c(F)cc1Br 141406581 OIDJOTJXUQRPRW-UHFFFAOYSA-N 219.057 2.182 0 30 BEAC CC(C)(C)OC(=O)N1CC2(CCC2)C[C@H]1CN 687809184 GHJCLGPXHYCULX-JTQLQIEISA-N 240.347 2.125 0 30 BEAC COC(=O)c1ccc(C(=O)O)cc1C(F)(F)F 958582230 PRKSAANDQBPDTD-UHFFFAOYSA-N 248.156 2.190 0 30 BEAC C=CC(=O)OC[C@@H](C)OC(=O)Nc1ccccc1 2572382 ZMZZSWXOXBPBTG-SNVBAGLBSA-N 249.266 2.353 0 30 BEAC COC(=O)C[C@H](N)c1c(F)cccc1Cl 19784028 VUTKSGYZZKIRDU-QMMMGPOBSA-N 231.654 2.042 0 30 BEAC C[C@@H](Oc1nc2ccccc2s1)C(=O)O 45236142 UWGPHSIGCZGULZ-ZCFIWIBFSA-N 223.253 2.148 0 30 BEAC C[C@H](O)C(=O)O[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 136819571 PKKVIPFBICXMFP-DCJFZGGZSA-N 226.316 2.125 0 30 BEAC CC(C)c1nccc(Br)n1 44117032 UURNJSATOHGCRE-UHFFFAOYSA-N 201.067 2.363 0 30 BEAC COC(=O)[C@@H]1C(=O)C[C@H]2[C@@H](C[C@H]1C)C2(C)C 39110740 UYNUDFDPONXCDC-REIXXSIJSA-N 224.300 2.047 0 30 BEAC COC(=O)Cc1cccc2c(O)cccc12 143586665 SOCVVRZXQHVOHS-UHFFFAOYSA-N 216.236 2.261 0 30 BEAC Cn1cc(C(=O)n2ccnc2)c2ccccc21 39019631 VKQCRWPGRLMLTR-UHFFFAOYSA-N 225.251 2.063 0 30 BEAC CCOC1=CC(=O)N[C@H](c2ccccc2)C1 39100283 SXMHUESUJSJGHL-LBPRGKRZSA-N 217.268 2.168 0 30 BEAC C[C@H](c1ccncc1)N(CC1CC1)C(N)=S 39125035 KEMLILBGBYFHBZ-SECBINFHSA-N 235.356 2.098 0 30 BEAC CCOC(=O)[C@H]1C[C@@H](C(C)C)CCC1=O 54556967 BSEGZDIJFOLZPJ-UWVGGRQHSA-N 212.289 2.191 0 30 BEAC COc1cccc([C@@H]2CNCC2(C)C)c1 220133689 NTWKZJDHRMTFSD-LBPRGKRZSA-N 205.301 2.408 0 30 BEAC c1nc([C@@H]2NCCc3ccsc32)cs1 712526237 IISXSFKNEVONOB-VIFPVBQESA-N 222.338 2.440 0 30 BEAC Cc1ccccc1CN[C@H]1CN2CCC1CC2 19946085 WNQLEIVPEWRPDL-HNNXBMFYSA-N 230.355 2.179 0 30 BEAC in-vitro CN[C@@H](CSC)Cc1ccc(F)cc1 54495518 KLSIBWTZNWZCCS-LLVKDONJSA-N 213.321 2.319 0 30 BEAC NCCCc1cn2c3c(cccc13)CCC2 3698511 NVUYIGANIYXKSQ-UHFFFAOYSA-N 214.312 2.479 0 30 BEAC COC(=O)c1cccc2nc(C(F)(F)F)[nH]c12 38954249 ITULVXSDJPFSPQ-UHFFFAOYSA-N 244.172 2.368 0 30 BEAC CCN1CCC2(CC1)CNc1ccccc12 95616753 UPXKDTHTHUIERA-UHFFFAOYSA-N 216.328 2.466 0 30 BEAC C[C@H](N)[C@H](NC(=O)OC(C)(C)C)c1ccco1 238804154 YNIOSHIJMIWUIR-WPRPVWTQSA-N 240.303 2.193 0 30 BEAC CC(C)(O)c1ccc(C2(C(=O)O)CC2)cc1 259577250 XVQWSSVDNASNIW-UHFFFAOYSA-N 220.268 2.030 0 30 BEAC C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(C)O 307203540 FBDBUQWAAYRPBZ-JOYOIKCWSA-N 229.320 2.014 0 30 BEAC CSCCc1nc(C)cc(Cl)n1 696130939 HFYUDPXAXDBACD-UHFFFAOYSA-N 202.710 2.344 0 30 BEAC CCOP(=O)(OCC)Oc1cnccn1 2530770 HMFWESVGJAXCEJ-UHFFFAOYSA-N 232.176 2.037 0 30 BEAC Cc1cnccc1[C@@H]1NCCc2cc(O)ccc21 38805229 OOJUAVZVMJFJJV-HNNXBMFYSA-N 240.306 2.331 0 30 BEAC CC(=O)c1nc(C)sc1Br 39121831 WUMDYUNYILFNAH-UHFFFAOYSA-N 220.091 2.417 0 30 BEAC NNc1ccc(F)c(F)c1Br 143570042 IHQARZFHEULYEH-UHFFFAOYSA-N 223.020 2.013 0 30 BEAC C[C@H]1CC[C@@H](C)NN1C(=O)OC(C)(C)C 238804043 FQRMBGGAKFARQJ-BDAKNGLRSA-N 214.309 2.299 0 30 BEAC COc1cc(C(=O)c2ccccc2)ccn1 2524938 ZQSGLJSAHLZOMO-UHFFFAOYSA-N 213.236 2.321 0 30 BEAC COc1cnc(Br)cc1C(C)=O 95764023 GEMDMIIZIMMUAW-UHFFFAOYSA-N 230.061 2.055 0 30 BEAC CC/C=C\CCC(C(=O)OCC)C(=O)OCC 196504128 ZYCYSCBXHGRUDH-FPLPWBNLSA-N 242.315 2.475 0 30 BEAC COC(=O)c1ccc2nc(Cl)cnc2c1 261040171 COSQOHSOVULKHW-UHFFFAOYSA-N 222.631 2.070 0 30 BEAC C[C@@H](NCc1ccccc1)[C@H](O)C(F)(F)F 536947480 OMMMWADSOLDJTE-SCZZXKLOSA-N 233.233 2.088 0 30 BEAC CC(C)(C)OC(=O)N[C@H]1CCCCCNC1 536949615 AIZRNHMCUHRBJC-JTQLQIEISA-N 228.336 2.043 0 30 BEAC CC(C)(C)OC(=O)N[C@H]1CNC2(CCCC2)C1 1536221828 JADMHWYMCDKOOU-SNVBAGLBSA-N 240.347 2.186 0 30 BEAC C[C@@H]1CO[C@H](C(Cl)(Cl)Cl)O1 2037922 YNEGMVUIENQSCP-DMTCNVIQSA-N 205.468 2.118 0 30 BEAC CCOC(=O)c1c(Cl)nc2ccccn12 60856225 HAAYDCPYMCBKAP-UHFFFAOYSA-N 224.647 2.164 0 30 BEAC Cn1nc2c(c1Br)CCCC2 75842681 MOUBANAECGFEAG-UHFFFAOYSA-N 215.094 2.061 0 30 BEAC CC(C)(C)OC(=O)[C@H]1CNCc2ccccc21 87611791 KYSSUBYNEALTEJ-LBPRGKRZSA-N 233.311 2.215 0 30 BEAC FC1(c2ccccc2Br)CNC1 258013271 MUNAWVDDBGDKFM-UHFFFAOYSA-N 230.080 2.217 0 30 BEAC CC1(C)C[C@@H](N)CCN(C(=O)OC(C)(C)C)C1 306886636 SUSZLKWTGNMZMT-JTQLQIEISA-N 242.363 2.371 0 30 BEAC Cn1nc(-c2cncs2)c2ccccc2c1=O 17088 KYHISOZRMVLEAX-UHFFFAOYSA-N 243.291 2.057 0 30 BEAC investigational CNCc1cccc(N2CCCCC2)c1 4271697 WHELHMLNRPDTJU-UHFFFAOYSA-N 204.317 2.396 0 30 BEAC in-vitro O=C(O)c1ccc(Cc2ccccc2)cn1 33824772 MSNWMTGDQGJSNP-UHFFFAOYSA-N 213.236 2.371 0 30 BEAC Cc1ccc2oc(-c3nnc(N)o3)cc2c1 42893478 TZBHUDJZYWMQOX-UHFFFAOYSA-N 215.212 2.373 0 30 BEAC CCOC(=O)c1cc(C)c(N)c(Cl)c1 139678427 MMJZJYVYOKAMKU-UHFFFAOYSA-N 213.664 2.407 0 30 BEAC CCOC(=O)N1CCC(=O)C12CCCCC2 39473105 JCZKIFOLAGZHGV-UHFFFAOYSA-N 225.288 2.121 0 30 BEAC CCOC(=O)c1cc2ncc(C)cc2[nH]1 95920080 QZLQZIBNGYYSDO-UHFFFAOYSA-N 204.229 2.048 0 30 BEAC O=C(O)CCc1cccc(F)c1Cl 106880920 VLSVTWDYTKKYAA-UHFFFAOYSA-N 202.612 2.496 0 30 BEAC CC(=O)N(Cl)C(=O)OCc1ccccc1 150091881 STPUJOBYIZBOQA-UHFFFAOYSA-N 227.647 2.326 0 30 BEAC Cc1nn(CC(F)(F)F)c(Cl)c1C(=O)O 306435145 AVHRLBIDDVRRKJ-UHFFFAOYSA-N 242.584 2.105 0 30 BEAC NC[C@@H]1CN(Cc2ccccc2)CC12CCC2 521398903 GMASNXQZSDUFSG-CQSZACIVSA-N 230.355 2.247 0 30 BEAC COc1ccc([C@@H]2CNCC2(F)F)cc1 584880015 XJNQBKHEAAYCMX-JTQLQIEISA-N 213.227 2.017 0 30 BEAC Clc1nccn2nc(Br)cc12 2265360047 DLZQDPKTLJAJMF-UHFFFAOYSA-N 232.468 2.145 0 30 BEAC O=Cc1cccc(/C=C/CO[C@@H]2CCCCO2)n1 15042251 PBOIXPJOANTEBX-BTKRWWFXSA-N 247.294 2.451 0 30 BEAC COc1cc(OC)cc(SC(=O)N(C)C)c1 21988666 HMHKDNFWTOAABU-UHFFFAOYSA-N 241.312 2.478 0 30 BEAC O=C(N[C@H]1C[C@H]1c1ccccc1)C(F)(F)F 32137337 ONHHCCWIZDGBTO-IUCAKERBSA-N 229.201 2.221 0 30 BEAC Cc1ccc([C@H]2NCCc3cc(O)ccc32)nc1 34737529 JQYAVOCXMLHHQA-HNNXBMFYSA-N 240.306 2.331 0 30 BEAC O=C[CH-]C(=O)c1cccc(Br)c1 100485139 TZGGDJQPDCRXMY-UHFFFAOYSA-N 226.049 2.035 0 30 BEAC in-vitro O[C@@H](c1cccc(Br)n1)C(F)F 1536116023 HPZWZOBZWSEYBC-LURJTMIESA-N 238.031 2.143 0 30 BEAC Cc1ncc2c(c1O)CO[C@H](C(C)C)OC2 88430 JTDBGJWBSDBUQB-GFCCVEGCSA-N 223.272 2.125 0 30 BEAC CC(C)=CCCC1=CCS(=O)(=O)C1 1841436 NKPPFFZEYUIUAH-UHFFFAOYSA-N 200.303 2.088 0 30 BEAC Brc1ccc(NC2COC2)cc1 8699807 MVCBHLRSKKAPPR-UHFFFAOYSA-N 228.089 2.260 0 30 BEAC COC(=O)c1cc2cc(Cl)cnc2o1 72193579 CYHRTBYAERFQAH-UHFFFAOYSA-N 211.604 2.268 0 30 BEAC FC(F)(F)[C@@H]1NCCc2ccccc21 95761482 KHCNWJQUAKFPOQ-SECBINFHSA-N 201.191 2.436 0 30 BEAC O=C(NCC1CC1)Nc1ccc2c(c1)CCO2 157641 RTUJGASWUIYPDG-UHFFFAOYSA-N 232.283 2.153 0 30 BEAC CC(C)(C)n1cc([C@@H]2NCC23CCOCC3)cn1 521399189 NNILQYCUMMNHDH-LBPRGKRZSA-N 249.358 2.079 0 30 BEAC COc1ccc2[nH]cc(C[C@@H](C)[N+](=O)[O-])c2c1 238790851 XPMDHLFCZGHQMJ-MRVPVSSYSA-N 234.255 2.384 0 30 BEAC COc1ccccc1C[C@H](C)NNC(C)C 19167755 VUAADOXGOAKYDT-NSHDSACASA-N 222.332 2.129 0 30 BEAC CC[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)[C@H]1N 36457303 DPQTWFIKNTVQCH-BBBLOLIVSA-N 213.321 2.092 0 30 BEAC COc1ccccc1C(=O)[C@H]1CCC[C@@H]1C(=O)O 83319357 MEKBVCIQBYRCMJ-UWVGGRQHSA-N 248.278 2.379 0 30 BEAC COc1c(Br)ccc2cn[nH]c12 95628517 BUKFOWMQWAXFRI-UHFFFAOYSA-N 227.061 2.334 0 30 BEAC N[C@H]1COc2cc(Cl)c(Cl)cc21 95636649 QAGCOCSNEMLYJA-ZETCQYMHSA-N 204.056 2.386 0 30 BEAC CC(C)(C)OC(=O)N1CCC[C@H]1C(C)(C)O 95829935 HAXXWOOCAOWDEC-VIFPVBQESA-N 229.320 2.157 0 30 BEAC CN(C)c1cc(N)cc(C(F)(F)F)c1 146131235 DFYGKOSCBJDERW-UHFFFAOYSA-N 204.195 2.354 0 30 BEAC Cc1cc(Br)c(C(=O)O)nc1C 2265384833 YDFHFSWTZGBSOS-UHFFFAOYSA-N 230.061 2.159 0 30 BEAC OC1CCN(c2cccc(Cl)c2)CC1 41225954 GUJKBOMAIZCAQO-UHFFFAOYSA-N 211.692 2.301 0 30 BEAC C[C@@H]1CCCC[C@H]1NCCN1CCCC1 20126760 WRAGCZRZLICCPC-CHWSQXEVSA-N 210.365 2.251 0 30 BEAC Nc1c(F)cc(Br)c(F)c1F 75915353 UFPYRCPXXIPDPF-UHFFFAOYSA-N 225.995 2.449 0 30 BEAC Cc1nc([C@H](C)N)sc1C(=O)OC(C)(C)C 83370699 SLOFEUKRDZOMLC-LURJTMIESA-N 242.344 2.427 0 30 BEAC COC(=O)[C@H](Br)[C@H](C)C(F)(F)F 219117892 ZXLOLPNINIAKAJ-IUYQGCFVSA-N 249.026 2.121 0 30 BEAC Cn1ccc2ccc(CCC(=O)O)cc21 82914395 TXCXSIFOIGVFKP-UHFFFAOYSA-N 203.241 2.196 0 30 BEAC NCC(F)(F)c1ccc(Br)cc1 95763998 ARQYKMXMQFUESA-UHFFFAOYSA-N 236.059 2.500 0 30 BEAC Fc1ccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3)cc1 149508561 MCULTLUFMIVMOK-PJXYFTJBSA-N 221.275 2.488 0 30 BEAC CC(C)O[C@H](C)[C@]1(C)CO[C@H](C)OC1 306216570 PNLAHFVUUHRTLK-MXWKQRLJSA-N 202.294 2.199 0 30 BEAC Cc1nn(-c2cccc(F)c2)c(C)c1N 32010433 PJVQLYYBMGQTKN-UHFFFAOYSA-N 205.236 2.210 0 30 BEAC in-vitro CCOCN(C(C)=O)c1cccc(C)c1 39105646 BXZQRVVUQIVMIX-UHFFFAOYSA-N 207.273 2.342 0 30 BEAC O=C(O)[C@@H](CCCO)Cc1cccc(Cl)c1 86337782 UUAUFBAQNVHRAS-JTQLQIEISA-N 242.702 2.356 0 30 BEAC O=C(O)[C@@H](F)c1nc2ccccc2s1 95347803 RJHUYRWBNQVJEG-ZETCQYMHSA-N 211.217 2.392 0 30 BEAC COC(=O)C[C@@H]1CCO[C@@H](C(C)C)C1 95348023 YILSUMKNIUBHHY-NXEZZACHSA-N 200.278 2.001 0 30 BEAC O=C(O)COc1ccc(F)c(Br)c1 149029814 PTNCIAMWUFOPOG-UHFFFAOYSA-N 249.035 2.052 0 30 BEAC CC(C)(C)OC(=O)N1C[C@H](N)CC2(CCC2)C1 686917091 CUXDZDWEOQNYEU-SNVBAGLBSA-N 240.347 2.125 0 30 BEAC CCCCC(=O)Nc1ccc(Cl)nn1 21300494 BEDMRCPOABMFRW-UHFFFAOYSA-N 213.668 2.259 0 30 BEAC O=C(CO)N(c1ccccc1)C1CCCCC1 21953023 WRPNODPVJGWEEF-UHFFFAOYSA-N 233.311 2.345 0 30 BEAC C/C=C(\C)C(=O)Nc1ccccc1C(=O)OC 38171547 XTTVYPWUDNSTFW-RUDMXATFSA-N 233.267 2.378 0 30 BEAC c1ccc(-n2nccc2-c2ncccn2)cc1 72190519 SGTORNCEQRJMOK-UHFFFAOYSA-N 222.251 2.329 0 30 BEAC C[Si](C)(C)C(C(N)=O)[Si](C)(C)C 195989697 NDVMCQUOSYOQMZ-UHFFFAOYSA-N 203.434 2.058 0 30 BEAC CC(C)(C)OC(=O)N1CC[C@@]2(CN)CCC[C@@H]12 307362706 GRGFPDOJMTZTIH-ZWNOBZJWSA-N 240.347 2.125 0 30 BEAC CC(=O)Nc1ccc2c(c1C)CCC2=O 35033489 UMRQQAJVYBHPCK-UHFFFAOYSA-N 203.241 2.082 0 30 BEAC c1csc(NCCNc2nccs2)n1 44712437 KPNMIUVGCUTFQY-UHFFFAOYSA-N 226.330 2.124 0 30 BEAC Clc1cc2nc(Br)cn2cn1 216739100 RTECWMATEPUWCE-UHFFFAOYSA-N 232.468 2.145 0 30 BEAC CC[C@H](NC(=O)OC(C)(C)C)C(C)(C)O 307601506 SDDWFXLEBNUWSZ-QMMMGPOBSA-N 217.309 2.061 0 30 BEAC O=C(Cn1ccccc1=O)c1ccccc1Cl 72574 OXCMETYSHQLHQR-UHFFFAOYSA-N 247.681 2.385 0 30 BEAC CCc1nc(C(C)=O)nn1-c1ccccc1 15443922 ZLKFZMFPWIVQOB-UHFFFAOYSA-N 215.256 2.032 0 30 BEAC [O-][n+]1c(-c2ccccn2)cccc1-c1ccccn1 35654021 TYYUBBQCPHOPPT-UHFFFAOYSA-N 249.273 2.444 0 30 BEAC COc1cccc(C(=O)[C@H]2CCC[C@@H]2C(=O)O)c1 83294568 BBGASWPBIIQSLG-RYUDHWBXSA-N 248.278 2.379 0 30 BEAC CCOC(=O)c1ccnc(OC(C)(C)C)c1 94150756 PFDYCJQZUYABBN-UHFFFAOYSA-N 223.272 2.436 0 30 BEAC O=C(O)C[C@@H]1Cc2cccc(Cl)c2O1 108382383 ICQKKRINRIWTLJ-ZETCQYMHSA-N 212.632 2.118 0 30 BEAC CC(C)OCC(=O)Cc1ccc(F)cc1 37344574 KSWGLBGVZLZGMX-UHFFFAOYSA-N 210.248 2.362 0 30 BEAC CC(C)C[C@H](CN)CC(=O)OC(C)(C)C 83862708 POJOFZKIWCCJAO-JTQLQIEISA-N 215.337 2.339 0 30 BEAC O[C@@H]1CCc2sc(Br)cc21 84305670 MFDOGTVDAOMTAH-RXMQYKEDSA-N 219.103 2.490 0 30 BEAC N[C@H]1CC[C@H](C[C@H]2CC[C@@H](N)CC2)CC1 101263621 DZIHTWJGPDVSGE-ROTMJFINSA-N 210.365 2.412 0 30 BEAC COc1cccc([C@H]2CNCC2(C)C)c1 220133621 NTWKZJDHRMTFSD-GFCCVEGCSA-N 205.301 2.408 0 30 BEAC CCC(Br)(CC)C(=O)OC 1841262 GYXGJKGWKZTXMX-UHFFFAOYSA-N 209.083 2.113 0 30 BEAC Nc1nc2ccccc2c2scnc12 34568311 QAYNDFKXOSVCGF-UHFFFAOYSA-N 201.254 2.427 0 30 BEAC CCOC(=O)Cc1coc2c(O)cccc12 259989654 FGLILZPOCXZBNV-UHFFFAOYSA-N 220.224 2.244 0 30 BEAC Oc1nc(C(F)(F)F)nc2sccc12 306184735 DVPOOMZZUWFAOV-UHFFFAOYSA-N 220.175 2.416 0 30 BEAC COC(=O)C[C@H]1CSc2ccccc2O1 15042500 MTHNUSJMVAMHRC-QMMMGPOBSA-N 224.281 2.103 0 30 BEAC C[C@H](NCc1ccccc1)[C@H](O)C(F)(F)F 536947482 OMMMWADSOLDJTE-WPRPVWTQSA-N 233.233 2.088 0 30 BEAC C=C(Br)[S@@](=O)C(F)(F)F 675049936 BCQVSSNYAIOBHN-SECBINFHSA-N 223.013 2.121 0 30 BEAC O=C(NC(=O)c1ccccc1O)c1cccs1 155892 BUKGFQXPNLPRFK-UHFFFAOYSA-N 247.275 2.024 0 30 BEAC Cc1ccc(C(=O)c2occc2N)cc1 95883976 LQXWDMIHWKXWCH-UHFFFAOYSA-N 201.225 2.401 0 30 BEAC in-vitro C[C@H](CCc1ccc([N+](=O)[O-])cc1)C(=O)O 40377506 DWOLSYAGYMVTEC-MRVPVSSYSA-N 223.228 2.248 0 30 BEAC C[C@H](N)[C@@H](NC(=O)OC(C)(C)C)c1ccco1 238803345 YNIOSHIJMIWUIR-WCBMZHEXSA-N 240.303 2.193 0 30 BEAC Cc1cc(C(F)(F)C(=O)O)cnc1Cl 669371637 LWSOOZGWDCVJIU-UHFFFAOYSA-N 221.590 2.220 0 30 BEAC O=C1CCC[C@]2(C1)CC(=O)Oc1ccccc12 2265351623 FMBNBXNYZIZBPK-AWEZNQCLSA-N 230.263 2.377 0 30 BEAC CC(C)OC(=O)CCCC(=O)OC(C)C 1694753 MSQKMFXJFBXZNQ-UHFFFAOYSA-N 216.277 2.060 0 30 BEAC O=C1O[C@@H]2CCCC[C@H]2C1(Cl)Cl 38633313 HZOSGSRPCDQQKW-PHDIDXHHSA-N 209.072 2.276 0 30 BEAC COc1cc(Br)ccc1[C@H](C)N 60176220 YNTNFAMPGFYIOW-LURJTMIESA-N 230.105 2.477 0 30 BEAC in-vitro CC(C)(C)CC[C@@H](N)C(=O)OC(C)(C)C 136840172 ZWLWKIMBIOMKAZ-SECBINFHSA-N 215.337 2.482 0 30 BEAC in-vitro Cc1nc(N)sc1N(C=O)c1ccccc1 143529027 JPXRBHGSGOKQJL-UHFFFAOYSA-N 233.296 2.328 0 30 BEAC c1ccc(C[C@@H]2OC[C@H]([C@@H]3CCCCN3)O2)cc1 5933620 BFIHVAAIQMHVLM-RRFJBIMHSA-N 247.338 2.113 0 30 BEAC CCOCN(C(C)=O)c1ccccc1C 39105647 XHNZRGDYXOJJAK-UHFFFAOYSA-N 207.273 2.342 0 30 BEAC Nc1ccc(-c2ccccc2)c(S(=O)(=O)O)c1 95935670 ZOLJXDULZMFOII-UHFFFAOYSA-N 249.291 2.183 0 30 BEAC F[C@@H](OC(F)(F)F)C(F)(F)n1ccnc1 113799862 TYBWWMPZQKTXSM-BYPYZUCNSA-N 234.099 2.264 0 30 BEAC C[C@@]12CNC[C@]1(C)CN(Cc1ccccc1)C2 521398863 QYDLHLFKHURUHQ-GASCZTMLSA-N 230.355 2.118 0 30 BEAC COC(=O)c1cc(N)c(C)c(C(F)(F)F)c1 575641427 UBLBFHQZKDDIHO-UHFFFAOYSA-N 233.189 2.383 0 30 BEAC CC(C)(C)OC(=O)NC1(N)CCCCC1 35270206 WRMGZHLPVAVXQO-UHFFFAOYSA-N 214.309 2.130 0 30 BEAC COc1cc2[nH]cc(Br)c2cn1 44713127 RSKVMFREGVZOSF-UHFFFAOYSA-N 227.061 2.334 0 30 BEAC in-vitro CCOC(=O)c1cc(C(F)(F)F)c[nH]1 72232729 SCWZCVOYWKIAFI-UHFFFAOYSA-N 207.151 2.210 0 30 BEAC CCOC(=O)c1cnc(Cl)c2cc[nH]c12 89220827 NBSIOJCPFWKANO-UHFFFAOYSA-N 224.647 2.393 0 30 BEAC CCCc1cc(=O)c2c(O)cccc2o1 133000 MMAADJQJDFQBDB-UHFFFAOYSA-N 204.225 2.451 0 30 BEAC CC(C)C(=O)Nc1nnc(-c2ccccc2)o1 4276191 GDVOYKWIOAQFKF-UHFFFAOYSA-N 231.255 2.331 0 30 BEAC CN[C@@H](CSC)Cc1ccc(F)cc1F 54495598 INDWNERZUJOKNZ-SNVBAGLBSA-N 231.311 2.458 0 30 BEAC COC(=O)c1cc(C(F)(F)F)sc1N 210785101 MSQHQPBPNPSKLW-UHFFFAOYSA-N 225.191 2.136 0 30 BEAC CCOc1cnnn1[C@@H]1C[C@H]2CC[C@H]1C2 263589885 SVDCZCLWIMIHMJ-LPEHRKFASA-N 207.277 2.038 0 30 BEAC OCc1ccc2nccc(Br)c2c1 306779049 UCVKADKMOBYASK-UHFFFAOYSA-N 238.084 2.490 0 30 BEAC c1ccc(Cc2nnc3ccncc3n2)cc1 2210 ROINDGIBYTXRFE-UHFFFAOYSA-N 222.251 2.011 0 30 BEAC in-man COc1ccc([C@@H](N)c2ccco2)cc1 35379614 DNNAXLMASPIHDI-GFCCVEGCSA-N 203.241 2.336 0 30 BEAC COc1ccc(C(=O)C2CCOCC2)cc1 61671167 IINOPBXHLGRRGK-UHFFFAOYSA-N 220.268 2.305 0 30 BEAC in-vitro CC(=O)c1ccn(Cc2ccccc2)n1 336029445 FURJXISWFMUKRT-UHFFFAOYSA-N 200.241 2.134 0 30 BEAC COc1ccc(C(C)=O)c2ncccc12 2265356057 CGXAFLWNYUMZFU-UHFFFAOYSA-N 201.225 2.446 0 30 BEAC COC(=O)[C@H]1C[C@](O)(c2ccc(Cl)cc2)C1 2265385504 BZJYFEWHZHMFBT-LYWQIFSTSA-N 240.686 2.111 0 30 BEAC CNc1nc2ccc(NC(C)=O)cc2s1 45238023 YPYAGNMJHWIZMQ-UHFFFAOYSA-N 221.285 2.296 0 30 BEAC in-vitro COc1ccc([C@@H]2CCN[C@H]2C)cc1F 77303090 HQBDEDMVVPGGDX-WCBMZHEXSA-N 209.264 2.300 0 30 BEAC COc1ccc2c(C(=O)C(C)C)n[nH]c2c1 141960651 TYPMXIFIXXJTHN-UHFFFAOYSA-N 218.256 2.410 0 30 BEAC CCOC(=O)c1c(Cl)c(CC(C)C)nn1C 14985177 GUECSZIEWZBYPF-UHFFFAOYSA-N 244.722 2.449 0 30 BEAC c1cnc2[nH]cc([C@@H]3CCCNC3)c2c1 29131251 NDEZQKHXMUBWSL-SECBINFHSA-N 201.273 2.030 0 30 BEAC CC(C)(C)[C@@H]1CCc2[nH]c(=O)c(C(=O)O)cc2C1 43404539 VOAGGJZHOBSMQC-SECBINFHSA-N 249.310 2.224 0 30 BEAC NC1CCC(N[C@H]2C[C@H]2c2ccccc2)CC1 94088490 ALHBJBCQLJZYON-WUCCLRPBSA-N 230.355 2.402 0 30 BEAC NCc1cc(Cl)ncc1C(F)(F)F 95631145 TUGIBXLDVIUCNH-UHFFFAOYSA-N 210.586 2.213 0 30 BEAC C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CN 145838288 WMERLLDQCPOUQM-TZMCWYRMSA-N 218.344 2.103 0 30 BEAC COc1cccc(N2CCC(=O)CC2)c1C 199882422 GQOYTLSXYGUTRW-UHFFFAOYSA-N 219.284 2.173 0 30 BEAC C[C@H](N)C(=O)Oc1cccc2ccccc12 49815802 UCVVDURPZNVMNR-VIFPVBQESA-N 215.252 2.092 0 30 BEAC O=C(O)c1cc([C@@H]2CCCN2)ccc1Cl 72202389 JNEXTXYQAXMOJL-JTQLQIEISA-N 225.675 2.463 0 30 BEAC Cc1ccc(CON)cc1Br 238474859 SQLCAMRKZDWYBT-UHFFFAOYSA-N 216.078 2.148 0 30 BEAC CC(C)(C)OC(=O)N1CC[C@@H](CO)CC1(C)C 585671625 PLCXFFSINOVROL-SNVBAGLBSA-N 243.347 2.404 0 30 BEAC CC(C)(C)OC(=O)NCC[C@H]1CC[C@H](N)C1 700769363 ACNGXGHJMGCBSZ-ZJUUUORDSA-N 228.336 2.029 0 30 BEAC COc1ccc(Cl)cc1C1(C(=O)O)CC1 20429463 HCJQBQPISPUKOI-UHFFFAOYSA-N 226.659 2.465 0 30 BEAC Fc1cc(Br)ccc1CC1CNC1 22160533 HQECNZZZGKULQQ-UHFFFAOYSA-N 244.107 2.350 0 30 BEAC COc1cccc(C[C@@H](C)CC(=O)O)c1 41217187 TZVBTYAWKKAEOZ-SECBINFHSA-N 208.257 2.349 0 30 BEAC CSC1=NN[C@H](c2ccccn2)S1 127338 COBKEFOWTCEAKB-ZETCQYMHSA-N 211.315 2.051 0 30 BEAC C1CCN(Cc2[nH]nc3c2CCCCN3)CC1 3698260 MSMHVZWTXUEADX-UHFFFAOYSA-N 234.347 2.144 0 30 BEAC Cc1cnc(NC(=O)c2cccc(O)c2)s1 19839525 AMFIUESGIPWMDD-UHFFFAOYSA-N 234.280 2.409 0 30 BEAC in-vitro CCCNC(=O)Oc1cccc2ccc[n+](C)c12 33865952 SCFIZYSGBGYFHM-UHFFFAOYSA-O 245.302 2.163 0 30 BEAC O[C@@H]1CN[C@@H](c2cccc(C(F)(F)F)c2)C1 69970291 SROZVXVUBRGZGK-VHSXEESVSA-N 231.217 2.101 0 30 BEAC in-vitro COc1ccc(-c2cc(N)nnc2Cl)cc1 258660608 UKYOPMDQEFEEDH-UHFFFAOYSA-N 235.674 2.388 0 30 BEAC CCCCNC[C@H](O)CNc1ccc(C)cc1 3636349 LVUIVGRUWGKZII-AWEZNQCLSA-N 236.359 2.158 0 30 BEAC CONC(=O)Nc1ccc(Br)cc1 6180291 NPLWLNIXIWUSKD-UHFFFAOYSA-N 245.076 2.132 0 30 BEAC N[C@@H](C(=O)O)c1ccccc1-c1ccccc1 95642252 FSCAPPLHQKZYEY-CYBMUJFWSA-N 227.263 2.438 0 30 BEAC CC(=O)Oc1ccc(OC(C)=O)c(Cl)c1 368868 BJNWFLGHFAIHAX-UHFFFAOYSA-N 228.631 2.191 0 30 BEAC CCCC(=O)OCCC[C@H]1CCCO1 5819617 BAEVROZWRARQSZ-SNVBAGLBSA-N 200.278 2.289 0 30 BEAC CC(C)N(C)Cc1ccc(C(=O)O)cc1 21036234 HELQEAWPHQKLAF-UHFFFAOYSA-N 207.273 2.225 0 30 BEAC c1ccc(CN2CC[C@H]3NCCC[C@H]3C2)cc1 252476225 MAIRFDXCHHKPFG-LSDHHAIUSA-N 230.355 2.261 0 30 BEAC Oc1ccc2c(c1)[C@H](Cc1c[nH]cn1)CC2 6860 VTZPAJGVRWKMAG-JTQLQIEISA-N 214.268 2.388 0 30 BEAC investigational C[C@H]1CN(c2ccc(F)cc2C=O)C[C@H](C)O1 37233692 RNUQESWOTDOHNX-UWVGGRQHSA-N 237.274 2.252 0 30 BEAC NCc1ccc(OCC(F)(F)F)c(F)c1 20469906 XHVDHAMYEOQORD-UHFFFAOYSA-N 223.169 2.226 0 30 BEAC O=C(O)c1cc(SC(F)(F)F)c[nH]1 144781697 TWBJHEFZQIUEEK-UHFFFAOYSA-N 211.164 2.325 0 30 BEAC CC(C)(C)[C@](C)(NC(=O)c1ccccc1)C(=O)O 144983936 XEZRIWIRGCAQIH-CQSZACIVSA-N 249.310 2.306 0 30 BEAC CCc1cc(OC)c(CC2(N)CC2)cc1OC 258259166 VEILHGCZMSZLNO-UHFFFAOYSA-N 235.327 2.300 0 30 BEAC CCOC(=O)[C@H]1CCC(=O)C[C@@H]1C(F)(F)F 685945680 ASWATKRNDNOHEP-YUMQZZPRSA-N 238.205 2.097 0 30 BEAC CCOC(=O)C[C@H]1OCCc2ccccc21 34504429 WXCSEPMUDFZOST-GFCCVEGCSA-N 220.268 2.254 0 30 BEAC CCOC(=O)c1cc2sc(C=O)cc2[nH]1 82290987 SOZSZCRBLCHJLB-UHFFFAOYSA-N 223.253 2.219 0 30 BEAC OCC1(c2ccccc2Br)CC1 84423805 NTJQASZJHHURQW-UHFFFAOYSA-N 227.101 2.473 0 30 BEAC in-vitro O=C1C[C@@H](c2cccc(OC(F)(F)F)c2)CN1 1536073075 SLPVPPIATYSNHO-MRVPVSSYSA-N 245.200 2.189 0 30 BEAC OCc1ccc(OCCN2CCCCC2)cc1 2524913 QBXGBNZCIAVBCA-UHFFFAOYSA-N 235.327 2.044 0 30 BEAC in-vitro CCOC(=N)[C@H](O)c1cc(C)cc(F)c1OC 39424720 YQAJFQRKEGCZLW-SNVBAGLBSA-N 241.262 2.190 0 30 BEAC Cc1ccc(-c2cc3n(n2)CCCNC3)cc1 213722677 JPTJDIWIMMQPCJ-UHFFFAOYSA-N 227.311 2.352 0 30 BEAC O=C(O)c1ncc2ccc(C(F)(F)F)cn12 258056631 PMOGQHWRNZEWHK-UHFFFAOYSA-N 230.145 2.051 0 30 BEAC Cc1nc([C@@H](C)N)sc1C(=O)OC(C)(C)C 714532661 SLOFEUKRDZOMLC-ZCFIWIBFSA-N 242.344 2.427 0 30 BEAC CCOC(=N)[C@H](O)c1cc(OC)cc(F)c1C 39135037 OEIQYKQBEYFVCD-LLVKDONJSA-N 241.262 2.190 0 30 BEAC CNC(=O)c1ccccc1-c1ccc(CN)cc1 39320522 VRIJZSMERVNVFR-UHFFFAOYSA-N 240.306 2.172 0 30 BEAC CC(C)(C)OC(=O)N1CC[C@@H](CN)CC1(C)C 84551134 JQUDBVQYJKBHIZ-SNVBAGLBSA-N 242.363 2.371 0 30 BEAC O=C(O)c1nccc2[nH]cc(Br)c12 14986186 BSDGCRRFFXKHMG-UHFFFAOYSA-N 241.044 2.024 0 30 BEAC CCOc1cc(CCC(C)=O)ccc1O 39099559 MXLOKFOWFPJWCW-UHFFFAOYSA-N 208.257 2.313 0 30 BEAC in-vitro COc1ccc(-c2nc(C)c(C(=O)O)n2C)cc1 84075213 MHSVYLICMJBBPU-UHFFFAOYSA-N 246.266 2.102 0 30 BEAC c1ccc(N2CCC3(CC2)OCCO3)cc1 90755405 SHWMIZAOLFMOSA-UHFFFAOYSA-N 219.284 2.030 0 30 BEAC in-vitro O=[N+]([O-])c1cc[n+]([O-])cc1Nc1ccc(F)cc1 196604989 URCTUTMZCTWEHB-UHFFFAOYSA-N 249.201 2.111 0 30 BEAC Fc1cc2nc(Cl)cc(Cl)n2n1 238546475 YNPVKHLNGVZWQX-UHFFFAOYSA-N 206.007 2.175 0 30 BEAC CC(=O)Nc1ccc2nc(C)sc2c1O 45237394 VVYDBGMEZIYKIM-UHFFFAOYSA-N 222.269 2.269 0 30 BEAC CC(C)(C)OC(=O)NCc1ccc(N)cc1F 95642502 FKSOCOFHSAAXCX-UHFFFAOYSA-N 240.278 2.433 0 30 BEAC Clc1nc2[nH]ccc2nc1Br 145226005 HSMNZAAANMEUSY-UHFFFAOYSA-N 232.468 2.374 0 30 BEAC CC(C)(C)OC(=O)N1[C@H]2CCC[C@H](N)[C@H]1CC2 1535647648 YUESIUMAIVLKEI-GARJFASQSA-N 240.347 2.266 0 30 BEAC C[C@H](Cc1ccccc1)O[C@H](C)[C@@H](C)O 32219778 JXKKNPQOWWYZAM-IJLUTSLNSA-N 208.301 2.404 0 30 BEAC C[C@@H]1CN(c2ccc(F)cc2C=O)C[C@@H](C)O1 37233694 RNUQESWOTDOHNX-NXEZZACHSA-N 237.274 2.252 0 30 BEAC O=C1COCc2cccc(Br)c21 95935688 YRUCZWJRYDGDHP-UHFFFAOYSA-N 227.057 2.162 0 30 BEAC Cc1cc(Br)n2nc(C)nc2c1 725247934 DVDTVXCJRUHLPY-UHFFFAOYSA-N 226.077 2.109 0 30 BEAC Nc1ncc(-c2cc(F)c(F)c(F)c2)[nH]1 1535869973 XSZXAGGSFPTBGC-UHFFFAOYSA-N 213.162 2.076 0 30 BEAC C[C@H]1CN(Cc2ccccc2)C[C@H](C)CN1 221297862 DETLUDPEYAOXOK-OLZOCXBDSA-N 218.344 2.116 0 30 BEAC CCOC(=O)[C@@H](C)Oc1cccc2[nH]ccc12 238790961 JBANODPAHWSJLJ-SECBINFHSA-N 233.267 2.498 0 30 BEAC CCc1cccc(C)c1N1C(=O)C[C@H](C)C1=O 101832 MDZRTCBOQLDHBD-JTQLQIEISA-N 231.295 2.457 0 30 BEAC N=C(N)SCc1c(F)cccc1F 12368553 ZRUDTIDBXWKHTB-UHFFFAOYSA-N 202.229 2.091 0 30 BEAC N[C@@H](CO)c1ccc(-c2ccccc2)cc1 36949517 DRGRSSFCCDTWRF-AWEZNQCLSA-N 213.280 2.346 0 30 BEAC Cc1ccc([C@@H]2NCCc3cc(O)ccc32)nc1 34737531 JQYAVOCXMLHHQA-OAHLLOKOSA-N 240.306 2.331 0 30 BEAC CN1CCCC[C@@H](c2cccc(O)c2)C1=O 36405313 IBNKFKLIUOMAQB-LBPRGKRZSA-N 219.284 2.118 0 30 BEAC N[C@]1(Cc2ccc(Cl)cc2)CCOC1 83186691 INLOPVUYKOQZNM-NSHDSACASA-N 211.692 2.000 0 30 BEAC CC(C)N(C[C@H](C)CCCN)C(C)C 96346833 UQHUGCOJGZNFCE-GFCCVEGCSA-N 200.370 2.480 0 30 BEAC CCNCC(C)(C)CNC(=O)OC(C)(C)C 307608405 DTISVWSYKNHWSY-UHFFFAOYSA-N 230.352 2.147 0 30 BEAC O=C1CC[C@H](C(=O)O)[C@@H](c2ccsc2)C1 72233134 WLUZXUJJELURSV-VHSXEESVSA-N 224.281 2.286 0 30 BEAC CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H](N)C1 1535639695 XVDJJXLPULGZPX-SNVBAGLBSA-N 240.347 2.125 0 30 BEAC CC(C)(O)C(C)(C)OB(O)[C@@H]1C[C@H]2CC[C@H]1C2 2265362191 BKJFLKKCLAVZKY-GARJFASQSA-N 240.152 2.223 0 30 BEAC CNC(=O)Oc1noc2ccc(Cl)cc12 75922 XFMONNHIZYXWEH-UHFFFAOYSA-N 226.619 2.199 0 30 BEAC CCCN[C@H](C)[C@H]1COc2ccccc2O1 5647865 RXBKKPJEJZBXOF-ZWNOBZJWSA-N 221.300 2.215 0 30 BEAC COC(=O)CCC[C@H](N)c1ccccc1 37483808 IXZCCXDCGSTPLB-NSHDSACASA-N 207.273 2.030 0 30 BEAC CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1CO 84319132 VCIBBCGSWUMTGW-GHMZBOCLSA-N 243.347 2.310 0 30 BEAC CCOC(=O)c1cc2c(O)cccc2o1 96347134 SPWIULPBTBGHEJ-UHFFFAOYSA-N 206.197 2.315 0 30 BEAC COc1ccc2ncc(F)c(Cl)c2n1 147331732 TWUWTFJSKUQHIQ-UHFFFAOYSA-N 212.611 2.431 0 30 BEAC in-vitro FC(F)(F)c1cnc(Br)o1 258549202 QVPQJBBCKLIRQS-UHFFFAOYSA-N 215.956 2.456 0 30 BEAC O=C(c1ccccc1)c1ccc(Cl)nn1 34062148 DFUHUTIFOIHZGM-UHFFFAOYSA-N 218.643 2.361 0 30 BEAC Fc1ccc2nc([C@@H]3CCCNC3)oc2c1 82164473 GLNNRQDTYDEHPG-MRVPVSSYSA-N 220.247 2.434 0 30 BEAC in-vitro O=Cc1cc(Cl)cc(Br)n1 95642363 XOUXYKCKMQKLSP-UHFFFAOYSA-N 220.453 2.310 0 30 BEAC in-vitro Ic1ccc2c(c1)COC2 107339441 IPSKKAJUZRMDJR-UHFFFAOYSA-N 246.047 2.321 0 30 BEAC Cc1ccc(S(=O)(=O)N[C@@H]2C=CC=CC2)cc1 196189388 BWOWCBQULSGVKB-GFCCVEGCSA-N 249.335 2.158 0 30 BEAC CCOC(=O)Nc1ccc(OC)cc1OC 110841 AAQUZLDNXFPNNU-UHFFFAOYSA-N 225.244 2.272 0 30 BEAC Cc1nc2c(N)c(Cl)c(Cl)c(N)c2[nH]1 284405 IOUURILQCZFEHN-UHFFFAOYSA-N 231.086 2.343 0 30 BEAC COc1ccccc1Cc1ncc(CN)s1 40996544 XQHIUYAEVMMLFS-UHFFFAOYSA-N 234.324 2.201 0 30 BEAC CNc1ncc(C(F)(F)C(F)(F)F)cc1N 221510222 MXQKKQVIUWADLJ-UHFFFAOYSA-N 241.163 2.360 0 30 BEAC CC(C)(C)OC(=O)N[C@@H]1CNCc2ccccc21 228776028 MQHAYLHGSZWLNR-GFCCVEGCSA-N 248.326 2.356 0 30 BEAC Cc1cc(C)c(C(N)=O)c(CC(C)(C)C(=O)O)c1 137899 WVGGNNGQUQHGCL-UHFFFAOYSA-N 249.310 2.056 0 30 BEAC Fc1cccc2[nH]c(Br)nc12 215752391 QVXVFVGOZGNHPM-UHFFFAOYSA-N 215.025 2.465 0 30 BEAC O=C(O)[C@@H]1[C@H]2C[C@@]1(c1ccc(Cl)cc1)CO2 757547649 XOCKEHIYWNTISS-SCVCMEIPSA-N 238.670 2.081 0 30 BEAC CN1CCC(Oc2ccnc(Cl)c2)CC1 82605605 XYSORHCTKOJKOD-UHFFFAOYSA-N 226.707 2.208 0 30 BEAC in-vitro CC(C)(C)OC(=O)N1CCc2ccncc21 95347613 CXJWLLXWCAVZNN-UHFFFAOYSA-N 220.272 2.379 0 30 BEAC O=C(N[C@@H]1C[C@H]1c1ccccc1)C(F)(F)F 32137336 ONHHCCWIZDGBTO-DTWKUNHWSA-N 229.201 2.221 0 30 BEAC FC(F)(F)c1ccc(-c2cn[nH]n2)cc1 34017187 NCZGZQWRTIFQKA-UHFFFAOYSA-N 213.162 2.491 0 30 BEAC CC(C)(C)n1nccc1Br 75842675 SJJRDZXBZLUAKT-UHFFFAOYSA-N 203.083 2.401 0 30 BEAC O=C(O)c1oc(C2CC2)nc1C(F)F 96300554 LAJCLOGFJXURPG-UHFFFAOYSA-N 203.144 2.188 0 30 BEAC in-vitro O[C@@H]1CCNc2cc(Br)ccc21 199623427 TZLRCPAGFJLVIX-SECBINFHSA-N 228.089 2.298 0 30 BEAC in-vitro Cc1nc2n(c1Br)CCCC2 49815748 GSIJQBIKDGLFAC-UHFFFAOYSA-N 215.094 2.290 0 30 BEAC O=C(O)[C@@H]1COc2cc(C(F)(F)F)ccc2C1 96028887 QMKNOUDMVJFHJX-ZETCQYMHSA-N 246.184 2.341 0 30 BEAC C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCC1=O 2265384655 GAXQNHMLUMVDFL-BDAKNGLRSA-N 227.304 2.269 0 30 BEAC CC(C)c1ccc([C@]2(C)OC[C@H](CO)O2)cc1 2001297 LPYIJRGDHWYCLS-UONOGXRCSA-N 236.311 2.390 0 30 BEAC COCc1nc(CN)c(-c2ccccc2)s1 82817889 APBTZXGPIAYMJX-UHFFFAOYSA-N 234.324 2.415 0 30 BEAC in-vitro Nc1nc2cncc(Br)c2s1 238612385 HVOUOYWYYBFBMM-UHFFFAOYSA-N 230.090 2.036 0 30 BEAC in-vitro COc1ccn2cc(Br)nc2c1 258283015 QJQLJYKTZDMVPA-UHFFFAOYSA-N 227.061 2.105 0 30 BEAC NC1CCC(C[C@H]2CCCC[C@@H]2N)CC1 5133922 NVNXODWZSQEWSM-KPFVRQRISA-N 210.365 2.412 0 30 BEAC CC1(C)O[C@H]1[C@H](O)CCc1ccccc1 39105516 LBNGDPXHJQJSOU-NEPJUHHUSA-N 206.285 2.158 0 30 BEAC CC(=O)OCCCC(=O)c1ccccc1 59076494 AMWZAUGWOBHCTQ-UHFFFAOYSA-N 206.241 2.213 0 30 BEAC CC(C)C[C@H](CCO)NC(=O)OC(C)(C)C 113097969 WDNUNTNGUOKMFE-JTQLQIEISA-N 231.336 2.308 0 30 BEAC CC(C)[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)O 306779040 TZRZWXQCEBWGKY-IUCAKERBSA-N 245.319 2.256 0 30 BEAC O=C(Nc1ccccc1)Nc1cncnc1 263463 WORYEJOUOLFDAH-UHFFFAOYSA-N 214.228 2.121 0 30 BEAC O=C(O)C1(c2ccnc(Cl)c2)CCC1 75089109 NKUCSEMBJLDFGY-UHFFFAOYSA-N 211.648 2.241 0 30 BEAC COC(=O)CC(=O)c1c(F)cccc1Cl 83328944 GXGZQUYKBHOIML-UHFFFAOYSA-N 230.622 2.225 0 30 BEAC in-vitro CN[C@@H]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 211288613 VXLMNYAPSXXYGZ-MNOVXSKESA-N 242.363 2.384 0 30 BEAC CC(C)(C)OC(=O)NC[C@@H]1CC(=O)C1(C)C 1535639614 UTNBCASXGPLGIR-QMMMGPOBSA-N 227.304 2.126 0 30 BEAC O=C(O)CCC[C@H](O)c1ccc(F)cc1 11631211 FSXKAGUHLIGGRG-JTQLQIEISA-N 212.220 2.114 0 30 BEAC in-vitro CNc1nc2cccc(C(=O)O)c2s1 34574495 UYFXSHKUOGBFTE-UHFFFAOYSA-N 208.242 2.036 0 30 BEAC CO[C@@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1 215537583 UGISCWMXDGYVKU-DTWKUNHWSA-N 215.293 2.031 0 30 BEAC CC(C)C1OC[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2CO1 256449188 VGTIEZWNPAOHLF-NNYUYHANSA-N 208.301 2.454 0 30 BEAC NNc1c(F)cc(F)cc1Br 37392871 BVTPRXGGQHZFSD-UHFFFAOYSA-N 223.020 2.013 0 30 BEAC in-vitro COc1ccc2ccnc([C@@H](C)N)c2c1 82777837 WDDOWWSMIIQTQZ-MRVPVSSYSA-N 202.257 2.263 0 30 BEAC O=C(O)c1ccc2ccc(Br)cn12 238673516 CKGUMGBAIFAXAF-UHFFFAOYSA-N 240.056 2.400 0 30 BEAC COc1ccc(Br)n2ccnc12 306978324 AZTBCFHFSHDIRZ-UHFFFAOYSA-N 227.061 2.105 0 30 BEAC CC(C)(C)OC(=O)NC[C@H]1CC(=O)C1(C)C 1535639612 UTNBCASXGPLGIR-MRVPVSSYSA-N 227.304 2.126 0 30 BEAC CC1=CC(=O)N(c2ccc(F)c(Cl)c2)C1=O 100414 FZHZIDNFXBWCNZ-UHFFFAOYSA-N 239.633 2.299 0 30 BEAC N[C@H]1CCN(c2ccccc2C(F)(F)F)C1 37240599 DPMBAWPRMCHMCH-QMMMGPOBSA-N 230.233 2.243 0 30 BEAC in-vitro O=C1Nc2cc(F)ccc2NC12CCC2 88049880 JWBGCBYGCYKGOJ-UHFFFAOYSA-N 206.220 2.112 0 30 BEAC CC(=O)c1ncc(C)cc1Br 238158102 USGZEEDVKCFSTD-UHFFFAOYSA-N 214.062 2.355 0 30 BEAC CC(C)[C@@H](C(=O)N1CCCC1)n1cccc1 888103893 IKAJOTYNIRRKME-LBPRGKRZSA-N 220.316 2.308 0 30 BEAC CC(C)(O)c1csc(Br)n1 1536055166 MZSXNNMHFRPNNK-UHFFFAOYSA-N 222.107 2.133 0 30 BEAC C[C@H](Oc1ccc(Cl)cc1Cl)C(N)=O 115258 PCWMWJKZXONNDD-YFKPBYRVSA-N 234.082 2.246 0 30 BEAC CC(C)[C@H]1CN(Cc2ccccc2)C[C@H]1C(=O)O 147066881 NAPCCAHFOLFWRQ-ZIAGYGMSSA-N 247.338 2.475 0 30 BEAC CCN(CC)C(=S)S[C@@H]1CCCN1N=O 5649702 DCEAHLIVXZOPKQ-MRVPVSSYSA-N 247.389 2.450 0 30 BEAC Nc1cnc(-c2ccc3ccccc3c2)c(N)n1 35570168 JTCZRXLGHCTLPH-UHFFFAOYSA-N 236.278 2.461 0 30 BEAC CCc1nnc2cc(C)c3ccc(O)cc3n12 39102739 OAWVYLLXYATXQC-UHFFFAOYSA-N 227.267 2.459 0 30 BEAC OCCc1cscc1Br 86556530 QNIZYXFOPCXUTG-UHFFFAOYSA-N 207.092 2.045 0 30 BEAC in-vitro Fc1ccc(CN2CCCC3(CNC3)C2)cc1 95937448 IKORRSDRCYVOLY-UHFFFAOYSA-N 234.318 2.011 0 30 BEAC C#Cc1ccc(-c2ccc(C#C)cn2)nc1 112968809 WHWUWIBHXHJDHB-UHFFFAOYSA-N 204.232 2.106 0 30 BEAC Cn1nc(Br)cc1C(F)(F)F 258244062 NMLUNESDTDDGSB-UHFFFAOYSA-N 228.999 2.201 0 30 BEAC COC(=O)c1cnc(-c2cccc(F)c2)nc1 35323368 FXWRWVBHWUPQAV-UHFFFAOYSA-N 232.214 2.069 0 30 BEAC CC(C)(C)OC(=O)N1CC[C@]2(N)CCCC[C@@H]12 307107450 ZIRHPMBSDWIIGA-ZWNOBZJWSA-N 240.347 2.267 0 30 BEAC Cc1c(Cl)cccc1NC(=S)NN(C)C 98268 SLIWTAGPVBZZEG-UHFFFAOYSA-N 243.763 2.411 0 30 BEAC CCOC(=O)c1ccsc1C(=O)OCC 38885926 WQFKWUIFAWRSEE-UHFFFAOYSA-N 228.269 2.102 0 30 BEAC N[C@@H]1CCN(C2CC2)[C@H]1c1ccc(F)c(F)c1 70299440 MFOXIVRDVQGIJV-OLZOCXBDSA-N 238.281 2.201 0 30 BEAC in-vitro C[C@@H]1CC(CNC(=O)OC(C)(C)C)C[C@@H](C)N1 306378433 GJFLAZAAQXIUNF-NXEZZACHSA-N 242.363 2.288 0 30 BEAC C[C@@]12CNC[C@@]1(C)CN(Cc1ccccc1)C2 521398864 QYDLHLFKHURUHQ-GJZGRUSLSA-N 230.355 2.118 0 30 BEAC Cc1ccc(CS[C@@H]2NC[C@H](C)N2)cc1C 19324361 KNDMIDHJXJKVOC-WCQYABFASA-N 236.384 2.402 0 30 BEAC CCCCNCc1ccc(C(=O)OC)cc1 19907032 VHYFWKJZVCVUQH-UHFFFAOYSA-N 221.300 2.363 0 30 BEAC CCN[C@@H](CC)Cc1ccc2c(c1)OCO2 37627980 IYZPKSQJPVUWRO-NSHDSACASA-N 221.300 2.346 0 30 BEAC CC[C@@H](CC[C@H]1CCCO1)OC(C)=O 39366103 QIVAMLXUNDMINC-WDEREUQCSA-N 200.278 2.287 0 30 BEAC O=[S@@](c1ccccc1F)C(F)(F)F 82818113 DRKUQWGUYALJKG-CYBMUJFWSA-N 212.167 2.453 0 30 BEAC CC(C)(C)OC(=O)N1CCNCC12CCCC2 95642297 ZFRIOZGQSDKGRT-UHFFFAOYSA-N 240.347 2.140 0 30 BEAC Nc1cc(C2CC2)ncc1Br 96134437 PRIKOBSUPGFSEU-UHFFFAOYSA-N 213.078 2.304 0 30 BEAC O=C(N1CC[C@@H](CC(F)(F)F)C1)C(F)(F)F 765647019 SCBFXYUOPLQJSR-YFKPBYRVSA-N 249.154 2.350 0 30 BEAC O=[S@@](c1ccccc1)c1ccccn1 17111424 FVKSIMVGYRWVRD-CQSZACIVSA-N 203.266 2.248 0 30 BEAC CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1CO 84319140 VCIBBCGSWUMTGW-MNOVXSKESA-N 243.347 2.310 0 30 BEAC O=c1oc(-c2cccc(Cl)c2)ns1 138964787 IBNXWVDYILLAKN-UHFFFAOYSA-N 213.645 2.417 0 30 BEAC in-vitro CC(C)OC[C@@H]1CCCC(=S)N1C 39124931 FGVUGGGJUUJNDI-VIFPVBQESA-N 201.335 2.223 0 30 BEAC CN(Cc1ccccc1)C(=O)C(F)(F)F 40927721 VGRXJRLQGWBMQL-UHFFFAOYSA-N 217.190 2.207 0 30 BEAC Oc1cccc(Br)c1S 59161403 OWBBRFRBGPBRJC-UHFFFAOYSA-N 205.076 2.443 0 30 BEAC CN(C)C[C@@H](N)Cc1ccc(Cl)c(Cl)c1 71561443 SYTMFKSPUVMFJZ-VIFPVBQESA-N 247.169 2.425 0 30 BEAC Nc1c(F)cc(Br)cc1S 83400746 PCZRTNUZBRMDBR-UHFFFAOYSA-N 222.082 2.459 0 30 BEAC in-vitro COC(=O)c1cccc(C=O)c1N=[N+]=[N-] 238402247 FJJWGNGAAZZGKW-UHFFFAOYSA-N 205.173 2.228 0 30 BEAC CCN1CN=C(SCc2ccc(C)cc2)NC1 144725 GBXARNVUVNJFCX-UHFFFAOYSA-N 249.383 2.424 0 30 BEAC NCC[C@H](c1ccccc1)N1CCCC1 11761672 IHHNZPGRBWIKFD-CYBMUJFWSA-N 204.317 2.172 0 30 BEAC O=C(O)Cc1cc2ccccc2cc1O 108313765 PQFDONBGIMZFEG-UHFFFAOYSA-N 202.209 2.173 0 30 BEAC CC(C)(C)[C@H](N)c1cccc(C(=O)O)c1 238175179 AYXGZXMOHRISAO-SNVBAGLBSA-N 207.273 2.431 0 30 BEAC CCOC(=O)[C@H]1CCC(=O)c2ccccc21 238856695 WWUNGEOMLFJTPZ-NSHDSACASA-N 218.252 2.310 0 30 BEAC in-vitro CC(C)Sc1n[nH]c(=O)n1-c1ccccc1 15924154 KGJSMQVRYJQJOD-UHFFFAOYSA-N 235.312 2.061 0 30 BEAC Cc1cnc(N2CCCCC2)nc1Cl 34493134 PMRAHSMOEVKPKR-UHFFFAOYSA-N 211.696 2.429 0 30 BEAC CC[C@H](CCCO)NC(=O)OC(C)(C)C 39093976 WXDNHTNXWAXWGI-SECBINFHSA-N 217.309 2.062 0 30 BEAC CN1CCN(C)C(C)(C)[C@@H]1c1ccccc1 39109985 VFRNYWHWDJUCAC-ZDUSSCGKSA-N 218.344 2.384 0 30 BEAC O=C(O)C(=O)Cc1csc2ccccc12 54462658 YAASHVCMTXVXDO-UHFFFAOYSA-N 220.249 2.098 0 30 BEAC CCC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 83069058 QXPODYGRSAPFDR-SECBINFHSA-N 227.304 2.223 0 30 BEAC CCOC(=O)[C@@H](C)CC1CCOCC1 95829233 CQSBWIZPUJXIKT-VIFPVBQESA-N 200.278 2.002 0 30 BEAC in-vitro COc1cc([C@@H]2C[C@H]2C(=O)O)ccc1F 1535823672 WFAIIFVWMUYPFP-JGVFFNPUSA-N 210.204 2.022 0 30 BEAC Cc1cnccc1[C@H]1NCCc2cc(O)ccc21 38805227 OOJUAVZVMJFJJV-OAHLLOKOSA-N 240.306 2.331 0 30 BEAC CC(C)(C)OC(=O)N1CCC[C@H](CCO)CC1 78687052 PRBKOJFHUGVGDZ-NSHDSACASA-N 243.347 2.406 0 30 BEAC CCOc1oc(-c2ccccc2)nc1C(=O)NC 95756161 ZEVDMLFFWVNXRX-UHFFFAOYSA-N 246.266 2.100 0 30 BEAC CN(C)C=CC(=O)Nc1ccc(Cl)cc1 2265235837 LDPFBUDMJOEICG-UHFFFAOYSA-N 224.691 2.354 0 30 BEAC C[C@@H](Oc1ccc(O)c2ccccc12)C(=O)O 6032511 MFSBBXLGJBDALP-MRVPVSSYSA-N 232.235 2.397 0 30 BEAC CC(C)(C)OC(=O)Nc1cccnc1N 34077472 SXUNEZVLKFWFPF-UHFFFAOYSA-N 209.249 2.011 0 30 BEAC CC[C@@H](O)[C@H](N)c1ccc(OC(C)C)cc1 396697102 PIWPESPTVQKIEY-CHWSQXEVSA-N 223.316 2.245 0 30 BEAC c1nc(N2CCCC2)c2ccsc2n1 116062 FIMSXJFRFWARLN-UHFFFAOYSA-N 205.286 2.292 0 30 BEAC O=C(O)c1c[nH]c(=S)n1-c1ccc(F)cc1 8578074 UKSLCIJKCIRDMD-UHFFFAOYSA-N 238.243 2.372 0 30 BEAC N#Cc1cc(C(F)(F)F)nn1-c1cccnc1 142684533 QKUYWCMAOYTPIS-UHFFFAOYSA-N 238.172 2.158 0 30 BEAC O=C1NCc2c(Br)cccc2O1 216523793 MIINCEQVMMICSD-UHFFFAOYSA-N 228.045 2.051 0 30 BEAC c1nc(C2CCCCC2)n2c1CNCC2 83986029 OWTRKYPGJUOXGL-UHFFFAOYSA-N 205.305 2.034 0 30 BEAC CCOC(=O)c1ccc(Nc2ncccn2)cc1 95830702 QZNMTAJPWIVICE-UHFFFAOYSA-N 243.266 2.397 0 30 BEAC CCO[C@H]1C[C@H](c2ccccc2)C(=O)O1 143253850 UWNOCPOSLHHZDE-GHMZBOCLSA-N 206.241 2.080 0 30 BEAC in-vitro COC(=O)[C@H]1C=C[C@H](n2c(C)ccc2C)C1 150242572 UBNQRXPWESAWSF-RYUDHWBXSA-N 219.284 2.395 0 30 BEAC COC(=O)c1csc(Br)c1F 212954095 AYFFITPJIFIFNS-UHFFFAOYSA-N 239.065 2.436 0 30 BEAC CC(F)(F)c1ccccc1[S@](=O)O 1535644800 QAENKCXNRYSLCU-UHFFFAOYSA-N 206.213 2.379 0 30 BEAC Cc1nc(I)sc1C 75843610 CJROBJQQMDDHLX-UHFFFAOYSA-N 239.081 2.365 0 30 BEAC NCc1cc(Br)cc(F)c1F 2539992 MXMVBKWCJOEYTR-UHFFFAOYSA-N 222.032 2.186 0 30 BEAC COc1ccccc1[C@@]1(C)C[C@H]1C(=O)O 49813404 PDMBEGHTKKCRMG-JOYOIKCWSA-N 206.241 2.057 0 30 BEAC in-vitro CC[C@H]1CCN(c2nc(CC(=O)O)cs2)C1 128544053 USWGVHLOYSILFH-QMMMGPOBSA-N 240.328 2.007 0 30 BEAC CC(=O)SCc1cc(Br)no1 2265384764 VNUMCSRSKBFMHD-UHFFFAOYSA-N 236.090 2.217 0 30 BEAC NC[C@@H](Cc1ccccc1)c1ccccn1 41226353 JLFXXFICMQGLRU-CYBMUJFWSA-N 212.296 2.367 0 30 BEAC in-vitro Cc1cc(Cl)ccc1CN1CCNCC1 80401635 SVKXUGPFDDKKGM-UHFFFAOYSA-N 224.735 2.054 0 30 BEAC COC(=O)c1n[nH]c2cccc(Cl)c12 89196254 ZTEHEVOAKFIDDI-UHFFFAOYSA-N 210.620 2.003 0 30 BEAC Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 119821498 XQVRCVZJNMQRGP-UHFFFAOYSA-N 228.173 2.250 0 30 BEAC Cc1cc(Br)cn2cncc12 238471718 XMKLPCSTBPAXRL-UHFFFAOYSA-N 211.062 2.405 0 30 BEAC C[C@@H]1CCO[C@H]([C@@H]2[C@@H](C(=O)O)C2(C)C)C1 308938766 DMJMOLKIANIRIN-RGOKHQFPSA-N 212.289 2.158 0 30 BEAC C1Cc2nc(CC3CCNCC3)sc2C1 11884041 LIPNAGWUIJZPOF-UHFFFAOYSA-N 222.357 2.174 0 30 BEAC CCOC(=O)CC[C@H]1CCCC[C@@H]1N(C)C 38611814 ZRFQIXZAJFYQED-NEPJUHHUSA-N 227.348 2.450 0 30 BEAC N[C@H]1CCOc2ccc(OC(F)(F)F)cc21 75882227 ZWVVBZKECWRDKB-QMMMGPOBSA-N 233.189 2.368 0 30 BEAC CCOC(=O)C(=O)c1cc2ccccc2o1 83228579 ZEYOYRUFYAFJHE-UHFFFAOYSA-N 218.208 2.179 0 30 BEAC COc1ccc([C@H](C)C(C)=O)cc1OC 85662356 DIWFDYWHQAEIMY-MRVPVSSYSA-N 208.257 2.396 0 30 BEAC in-vitro O=C(O)Cc1ccc(CC(F)(F)F)cc1 95774342 KZWRINJUAUEVIG-UHFFFAOYSA-N 218.174 2.419 0 30 BEAC CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1[C@H](O)CC2 306682972 UCOIBMSKZGHCPH-GARJFASQSA-N 241.331 2.299 0 30 BEAC Brc1cncc(CNCC2CC2)c1 37927783 HRTJDPVSBQLFDF-UHFFFAOYSA-N 241.132 2.344 0 30 BEAC in-vitro O=C(O)[C@H](CCCO)Cc1cccc(Cl)c1 86337780 UUAUFBAQNVHRAS-SNVBAGLBSA-N 242.702 2.356 0 30 BEAC COC(=O)[C@H](C)c1ccc(C(F)(F)F)cn1 261317188 DHJJWPJNAVQFLG-ZCFIWIBFSA-N 233.189 2.377 0 30 BEAC CC(=O)O[C@@H](c1ccccc1)[C@@H]1CCCCN1 4626654 BKPLVPRTTWIDNL-KBPBESRZSA-N 233.311 2.433 0 30 BEAC in-man CCCCCC[C@@H](COC(C)=O)OC(C)=O 5512413 RANGUUYBFDYGLF-LBPRGKRZSA-N 230.304 2.452 0 30 BEAC CN(C)C=C(C=O)c1cccc(Cl)c1 8663813 GCPLFRPOVQSMNZ-UHFFFAOYSA-N 209.676 2.441 0 30 BEAC COC(=O)c1cccc2ccc(O)cc12 75602241 KFDJEXPTZAZSNA-UHFFFAOYSA-N 202.209 2.332 0 30 BEAC in-vitro CCN1CC[C@@H](c2ccc(F)cc2)[C@H](CO)C1 79935324 XPULMVDJJYGRIL-JSGCOSHPSA-N 237.318 2.243 0 30 BEAC NCc1cncc(OCc2ccccc2)c1 95642390 CVDBPUXHFGFUBS-UHFFFAOYSA-N 214.268 2.119 0 30 BEAC CN(NC1=NCCO1)c1cccc2ccccc12 138367713 QCBGEUKXRMTDTA-UHFFFAOYSA-N 241.294 2.167 0 30 BEAC CC(=O)c1csc(-c2snnc2C)n1 122973 WNEZOGWESFONOZ-UHFFFAOYSA-N 225.298 2.173 0 30 BEAC CN(C)C=CC(=O)c1c[nH]c2ccccc12 33337142 ZKAFMCYNLUNRHE-UHFFFAOYSA-N 214.268 2.426 0 30 BEAC C[C@@H]1C[C@@H](C)CN(c2ccc(N)cc2C(=O)O)C1 53224670 PEPUMPQTKIHPMR-NXEZZACHSA-N 248.326 2.449 0 30 BEAC C[C@H]1Cc2cccc(Br)c2CN1 70653017 UNVOLWWRSRUVQQ-ZETCQYMHSA-N 226.117 2.483 0 30 BEAC in-vitro COc1cc(OC)cc(-c2nnc(Cl)o2)c1 71550267 OCFGDDHERHVEQV-UHFFFAOYSA-N 240.646 2.407 0 30 BEAC CCOC(=O)[C@@H]1CCC(=O)[C@@H](C)C1(C)C 335243741 WEWKDSKUVCTQRW-BDAKNGLRSA-N 212.289 2.191 0 30 BEAC C[C@@](O)(C(=O)O)c1ccc2ccccc2c1 2547769 KUJHPYMDWIIJDD-ZDUSSCGKSA-N 216.236 2.132 0 30 BEAC OCCNc1cc(Cl)nc(-c2ccccc2)n1 126260525 JSVYQZUYWRFMHV-UHFFFAOYSA-N 249.701 2.201 0 30 BEAC CC(C)NC[C@@H](O)COc1ccc(C2CC2)cc1 3627696 PHTXELQMXPREHU-CQSZACIVSA-N 249.354 2.302 0 30 BEAC Cc1snnc1C(=O)c1ccccc1 82029212 SBZMYTXSXHSXAJ-UHFFFAOYSA-N 204.254 2.078 0 30 BEAC CN[C@@H](Cc1ccc(F)cc1)c1ccn(C)n1 87424207 CXGLVWLMHBDZOX-ZDUSSCGKSA-N 233.290 2.062 0 30 BEAC O=[N+]([O-])c1cccc2cc3c(cc12)OCO3 140386119 YOVBORLWBMMPIJ-UHFFFAOYSA-N 217.180 2.477 0 30 BEAC CN(C)C[C@@H](N)c1cccc(C(F)(F)F)c1 23069857 FXOGIUBNPMYFMF-SNVBAGLBSA-N 232.249 2.267 0 30 BEAC O=C(OCc1ccccc1)N1CC[C@@H](F)C1 34496974 DGQYMNWQXVFIBE-LLVKDONJSA-N 223.247 2.367 0 30 BEAC CCN(C)C1CCN(C(=O)OC(C)(C)C)CC1 174827557 VMRFOAKRGLYJKU-UHFFFAOYSA-N 242.363 2.338 0 30 BEAC CC(C)(C)OC(=O)N1C[C@H]2CC(O)C[C@@H](C2)C1 211335919 UCGICRJMJWDWNN-NXEZZACHSA-N 241.331 2.014 0 30 BEAC COc1ccc(C(=O)O)cc1C(F)F 214337476 NDXAHJXRMTWMBE-UHFFFAOYSA-N 202.156 2.331 0 30 BEAC CC(C)(C)[C@@H](N)c1cccc(C(=O)O)c1 238141746 AYXGZXMOHRISAO-JTQLQIEISA-N 207.273 2.431 0 30 BEAC CC(C)(C)OC(=O)N1C[C@@H](O)C2(CCCC2)C1 307156829 GJSRKVQVCXMLIM-SNVBAGLBSA-N 241.331 2.158 0 30 BEAC OCc1nc2cc(C(F)(F)F)ccc2o1 78210644 ACWKKCNXWQTLFP-UHFFFAOYSA-N 217.146 2.339 0 30 BEAC in-vitro Fc1cc(NCc2ccccc2)nc(F)n1 196510514 PPPYCOXFOMMUPF-UHFFFAOYSA-N 221.210 2.367 0 30 BEAC COC(=O)[C@@H](C)COCc1ccccc1 34080276 HJSABQZRAXEJNQ-JTQLQIEISA-N 208.257 2.012 0 30 BEAC CC(C)(C)O[C@H](Cc1ccccc1)C(=O)O 220392650 DSRAXLWJLVSPSD-LLVKDONJSA-N 222.284 2.497 0 30 BEAC Nc1cccc2c1CN(c1ccccn1)C2 19936726 AQBWQDXBAHASJB-UHFFFAOYSA-N 211.268 2.184 0 30 BEAC in-vitro CCOc1cc(C[C@H](N)CC)ccc1O 36778910 AQCBTOLQODMENC-SNVBAGLBSA-N 209.289 2.071 0 30 BEAC O=C1C[C@H](c2cc(Br)cs2)CN1 685939408 USWZSKJTLCGTRW-YFKPBYRVSA-N 246.129 2.114 0 30 BEAC CC(C)(C)c1ccc(CC(=O)C(=O)O)cc1 22211451 HXQKWGQEVYRRIT-UHFFFAOYSA-N 220.268 2.180 0 30 BEAC Nc1nnc(C2(c3ccccc3)CC2)s1 61618259 XGCRKKXNDQBJGR-UHFFFAOYSA-N 217.297 2.200 0 30 BEAC in-vitro COC(=O)c1sc(C2CC2)nc1Cl 85789037 LBELSOFZUXTBKJ-UHFFFAOYSA-N 217.677 2.461 0 30 BEAC in-vitro NC[C@@H]1CCc2cc(Br)ccc21 89064155 VWQZJOMQTCXOCG-QMMMGPOBSA-N 226.117 2.438 0 30 BEAC CCOC(=O)CCCCCC[C@@H]1CO1 113094527 IATWGCYSNAGZJB-SNVBAGLBSA-N 200.278 2.289 0 30 BEAC CC(C)C1OC[C@@H]2[C@@H](CO1)[C@H]1C=C[C@H]2C1 141828347 VGTIEZWNPAOHLF-BJDJZHNGSA-N 208.301 2.454 0 30 BEAC NCc1cccc(O[C@H]2CCCCO2)c1 222825316 AYJTWFSRUHUPGV-LBPRGKRZSA-N 207.273 2.051 0 30 BEAC Cc1nc(N2CCC2)ccc1Br 306518570 BJTDHRFJJDAIMU-UHFFFAOYSA-N 227.105 2.363 0 30 BEAC COC(=O)[C@H]1CC2(CCCCC2)CC1=O 685959018 INVSDCMMHDENCQ-VIFPVBQESA-N 210.273 2.089 0 30 BEAC C[C@](O)(CCO)C12CC3CC(CC(C3)C1)C2 4321840 AYTFFACXPPDYFK-PRTVBDMESA-N 224.344 2.336 0 30 BEAC Cc1cc(NCc2ccccn2)sn1 15042023 RXUIEDCFXIRKSI-UHFFFAOYSA-N 205.286 2.459 0 30 BEAC Fc1ccc(-c2cc3[nH]ccn3n2)cc1 33898417 TWXLPMFPJGQJCA-UHFFFAOYSA-N 201.204 2.469 0 30 BEAC CNCc1ccc(OC)c(C(F)(F)F)c1 70953327 SXKMCOKFXXSRTO-UHFFFAOYSA-N 219.206 2.433 0 30 BEAC C[C@@H](N)c1cn2ccc(Br)cc2n1 76792939 WJRJFPNFSTZHSG-ZCFIWIBFSA-N 240.104 2.117 0 30 BEAC CC(C)(C)OC(=O)N1CCOC2(CCC2)C1 133647709 ZUYFMFROLVLKLZ-UHFFFAOYSA-N 227.304 2.176 0 30 BEAC CC(C)(C)OC(=O)N1CCCC[C@@H]1C1(N)CC1 217123164 HWGVDNZBGGUGRG-SNVBAGLBSA-N 240.347 2.267 0 30 BEAC NC(=S)NCc1cccc(C(F)(F)F)c1 34971902 PMHXDYLJMNAAPX-UHFFFAOYSA-N 234.246 2.039 0 30 BEAC CCOC1=N[C@@H]2CCc3ccccc3[C@@H]2O1 39100301 IKMHCQKPLZKSQK-NEPJUHHUSA-N 217.268 2.465 0 30 BEAC COc1ccc(CN)c(OC2CCCC2)c1 40888158 MKELBHHNHHGOFB-UHFFFAOYSA-N 221.300 2.475 0 30 BEAC in-vitro Cc1cnc(C(F)(F)F)cc1C(=O)O 222449006 DPADOSRMDWWAKJ-UHFFFAOYSA-N 205.135 2.107 0 30 BEAC CC(C)(O)C(=O)c1cccc(Br)c1 259130980 JJVNDZHGUYIGEX-UHFFFAOYSA-N 243.100 2.403 0 30 BEAC O=C1CCC2(CC13CCCC3)OCCO2 1535631964 IPVBWTJJCQVBIY-UHFFFAOYSA-N 210.273 2.043 0 30 BEAC O=C(O)c1ccc(-c2ccc3c(c2)OCO3)[nH]1 41256887 ASHJNWDOZJBXOH-UHFFFAOYSA-N 231.207 2.109 0 30 BEAC CC(C)OC[C@H](O)c1ccc(F)c(F)c1 86519363 MBISSGUSVKSDTE-NSHDSACASA-N 216.227 2.423 0 30 BEAC in-vitro N=c1[nH]c([C@H]2CC2(Cl)Cl)cs1 2265362276 NUCSARDEGPXQIX-GSVOUGTGSA-N 209.101 2.217 0 30 BEAC Cc1cc(=O)n2nc(-c3cccs3)cc2[nH]1 6556545 VHSDHLMMMKDERJ-UHFFFAOYSA-N 231.280 2.060 0 30 BEAC CC(C)(C)OC(=O)N1CC[C@H](CN)CC1(C)C 84551136 JQUDBVQYJKBHIZ-JTQLQIEISA-N 242.363 2.371 0 30 BEAC Cc1cc(Br)cnc1[C@@H](C)N 215338943 DPNIINIKFQBHRO-ZCFIWIBFSA-N 215.094 2.172 0 30 BEAC COCOc1cc(Br)ccc1O 584635537 YSCMVONAMXQOAX-UHFFFAOYSA-N 233.061 2.137 0 30 BEAC O=C(O)C(F)(F)c1csc(C(F)(F)F)n1 725344393 XMBMONZCXAANKI-UHFFFAOYSA-N 247.144 2.338 0 30 BEAC O=C(c1cnc2sccn12)C(F)(F)F 1796918 VQIQFEGBZHKHHZ-UHFFFAOYSA-N 220.175 2.141 0 30 BEAC NCc1ccc(-c2cccnc2)c(F)c1 47213132 PTPASSTYFGJXOX-UHFFFAOYSA-N 202.232 2.346 0 30 BEAC Cc1ccc(F)c(CN2CCC[C@H]2CN)c1 220305412 BJKCFSCYQJIZAP-LBPRGKRZSA-N 222.307 2.057 0 30 BEAC CCCc1nc(N)nc(N)c1-c1ccccc1 5114725 XGZDXDBPAVEABJ-UHFFFAOYSA-N 228.299 2.261 0 30 BEAC CCCCCC[P@](=O)(O)CCCN 26983004 QVUUPQCCYOPHFY-UHFFFAOYSA-N 207.254 2.186 0 30 BEAC in-vivo CNc1ccc2c(C)nc(CC(C)C)n2n1 39110027 XWCWQVVQFWADPN-UHFFFAOYSA-N 218.304 2.278 0 30 BEAC Nc1cccc2c1CCN[C@H]2C(F)(F)F 57219172 PUSXLLMFSROTFL-SECBINFHSA-N 216.206 2.018 0 30 BEAC O=C(O)c1cc(-c2cccs2)cnc1O 65347023 VNSFAGWZORAYSM-UHFFFAOYSA-N 221.237 2.214 0 30 BEAC COc1ccc2ccnc([C@H](C)N)c2c1 82777836 WDDOWWSMIIQTQZ-QMMMGPOBSA-N 202.257 2.263 0 30 BEAC CC[C@@H]1CCN(c2nc(CC(=O)O)cs2)C1 128543856 USWGVHLOYSILFH-MRVPVSSYSA-N 240.328 2.007 0 30 BEAC CC1=C(C)OP(=O)(n2ccnc2)O1 1566125 XTSDWAKWBYCFFE-UHFFFAOYSA-N 200.134 2.138 0 30 BEAC CCN[C@H](C)[C@@H](O)c1ccc(C)c(C)c1 39105563 OBPVXOPEMRBTNE-DGCLKSJQSA-N 207.317 2.335 0 30 BEAC Cc1cc(C(=O)O)c(C)n1[C@H]1CCCOC1 71010573 GSMINBPUFWCQJM-JTQLQIEISA-N 223.272 2.155 0 30 BEAC C[C@@H](O)c1cc(Br)ncc1F 95829301 SQKAOXWKWKGGRD-SCSAIBSYSA-N 220.041 2.037 0 30 BEAC in-vitro C[C@@H]1COCCN1c1ccc(N)cc1Cl 35774426 KVGGIFLBAALOKO-MRVPVSSYSA-N 226.707 2.147 0 30 BEAC N[C@@H]1CCCc2cn(C3CCCC3)nc21 95829029 BCHBZNOWZZEHFX-LLVKDONJSA-N 205.305 2.334 0 30 BEAC in-vitro COc1ccc([C@@H](CCN)C(F)F)cc1 258969348 ULXYFNZIHARRCU-SNVBAGLBSA-N 215.243 2.393 0 30 BEAC OCc1ccc(Br)c2ncccc12 306704532 CGVXFYVJMYTZQT-UHFFFAOYSA-N 238.084 2.490 0 30 BEAC CC(C)(C)OC(=O)[C@@](C)(CN)c1ccccc1 390821985 WIOFDFKVQCVYNS-AWEZNQCLSA-N 235.327 2.245 0 30 BEAC C[C@@H]1Nc2ccc(C(F)(F)F)cc2NC1=O 31890425 WKAFVRQFNIJFPA-YFKPBYRVSA-N 230.189 2.458 0 30 BEAC Cc1cccc(NN)c1Br 34537593 ZOJIPDPQNHFSJC-UHFFFAOYSA-N 201.067 2.043 0 30 BEAC FC(F)(F)[C@H]1NCCc2ccccc21 95761481 KHCNWJQUAKFPOQ-VIFPVBQESA-N 201.191 2.436 0 30 BEAC Nc1ccc(Oc2ccc(C(=O)O)cc2)c(N)c1 95935380 YOQNZIGXHKERCG-UHFFFAOYSA-N 244.250 2.342 0 30 BEAC CCOP(=O)(CC(=O)OC(C)C)OCC 96395018 SWGMKWQNFIOGDY-UHFFFAOYSA-N 238.220 2.204 0 30 BEAC CC(C)(C)OC(=O)[C@H]1CCCC[C@@H]1CN 84300794 QKPRNENUGIJRRL-ZJUUUORDSA-N 213.321 2.093 0 30 BEAC O=C(O)C1(c2ccc(C(F)(F)F)cn2)CC1 95094310 CLXSQANZEFLAKC-UHFFFAOYSA-N 231.173 2.217 0 30 BEAC N[C@@H]1CSC=C2C=CC(Br)=C[C@@H]21 95921498 RSTPUNCMLHKZJC-DTWKUNHWSA-N 244.157 2.409 0 30 BEAC CSC1=NCCN1CC(=O)c1ccc(C)cc1 167185 PMZIXWWHXUCKID-UHFFFAOYSA-N 248.351 2.212 0 30 BEAC O=C(O)CCCCCCCC[C@@H](O)CC(=O)O 12493851 FYVQCLGZFXHEGL-SNVBAGLBSA-N 246.303 2.027 0 30 BEAC endogenous,in-man CC(C)(C)OC(=O)N1CC(=O)[C@H]2CCCC[C@H]21 215606194 RFOYQHUATFKSIW-VHSXEESVSA-N 239.315 2.365 0 30 BEAC Fc1ccn2nccc2c1Br 238546673 FAPQZPJQUXMHRM-UHFFFAOYSA-N 215.025 2.236 0 30 BEAC CCOC(=O)[C@@](C)(N)Cc1ccc(Cl)cc1 35874811 HKYTXRJHGDJCPV-LBPRGKRZSA-N 241.718 2.163 0 30 BEAC CNC[C@H]1CCCO[C@@H]1c1ccccc1 47843813 ZXKAIBMKDZEEGN-CHWSQXEVSA-N 205.301 2.374 0 30 BEAC in-vitro CC[C@@H](C)OC(=O)/C=C\C(=O)O[C@H](C)CC 100061536 MWJNGKOBSUBRNM-BUMYOJGDSA-N 228.288 2.226 0 30 BEAC COc1cc(N[C@@H]2CCNC2)ccc1Cl 232198863 WXGSQXRZFDGSOP-SECBINFHSA-N 226.707 2.122 0 30 BEAC C(=Cc1ccccc1)COn1ccnc1 4002615 ZIHQJCDDFLUDGA-UHFFFAOYSA-N 200.241 2.025 0 30 BEAC NCc1csc(CCc2ccccc2)n1 42406968 RDDFEYQFJDAJOD-UHFFFAOYSA-N 218.325 2.387 0 30 BEAC COC(=O)c1cc(C)cc2c1NCCC2 95929773 YXWYKAYGBSMNOS-UHFFFAOYSA-N 205.257 2.140 0 30 BEAC COC(=O)c1c[nH]c2c(F)cc(F)cc12 95935667 MSEWYDOGKHOHAA-UHFFFAOYSA-N 211.167 2.233 0 30 BEAC Cc1ccc(CN2CCC[C@H]3CNC[C@H]32)s1 299892899 FNECKUUEHQZFND-WCQYABFASA-N 236.384 2.240 0 30 BEAC N[C@H](CCO)c1ccc2ccccc2c1 2530230 KCFXGMLFKOPOPM-CYBMUJFWSA-N 201.269 2.222 0 30 BEAC Nc1ccc2oc(=O)c(-c3ccncc3)cc2c1 31623075 ZCWDGFDHXZDMQC-UHFFFAOYSA-N 238.246 2.437 0 30 BEAC O=Cc1cnc(-c2cc(F)cc(F)c2)nc1 35323354 ZLQZIIZARGBMQI-UHFFFAOYSA-N 220.178 2.234 0 30 BEAC in-vitro Cc1ccsc1/C=C/C1=NCCN1C 39105503 DDJRIJOTQUUMOF-ONEGZZNKSA-N 206.314 2.414 0 30 BEAC Brc1ncc(-c2cccnc2)o1 75842686 NRKULKCEOXRROM-UHFFFAOYSA-N 225.045 2.499 0 30 BEAC CC(C)Cn1cc(C(F)F)c(C(=O)O)n1 88613608 QGCMTOXSXOEFLD-UHFFFAOYSA-N 218.203 2.175 0 30 BEAC Fc1cc(F)cc([C@]2(F)CCNC2)c1 107143647 PDOGFKRZZSBEGE-JTQLQIEISA-N 201.191 2.123 0 30 BEAC COc1ncc([N+](=O)[O-])c(C)c1Br 113143335 FWOJMZCYPGNGGZ-UHFFFAOYSA-N 247.048 2.069 0 30 BEAC C[C@@H]1CCCN[C@H]1CCNC(=O)OC(C)(C)C 307728853 ICACCNRRVDAXDM-MNOVXSKESA-N 242.363 2.289 0 30 BEAC Cc1cccc(-n2nc(C)c(N)c2C)c1 32010017 QZOVROLTCHDEMG-UHFFFAOYSA-N 201.273 2.380 0 30 BEAC N[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 86567361 YSFAWTRWKZYAPX-NSHDSACASA-N 245.244 2.366 0 30 BEAC CSc1ncc2cc(Br)cn2n1 114015759 FEPOYMAZLUMHMT-UHFFFAOYSA-N 244.117 2.214 0 30 BEAC C[C@H](O)c1cc(Br)cc2c1OCC2 123007687 NSJZAQQYJDVUEW-LURJTMIESA-N 243.100 2.437 0 30 BEAC N#Cc1c(F)nc2ccc([N+](=O)[O-])cc2c1F 34211657 CLJDZJFLYJWEHS-UHFFFAOYSA-N 235.149 2.293 0 30 BEAC CN[C@@H](C(=O)OC)c1cccc(Cl)c1Cl 37458360 QNGLXVDXRURQLL-SECBINFHSA-N 248.109 2.427 0 30 BEAC CC(=O)O[C@H]1CCN(C)c2ccccc21 39105380 KYFJGZVIBPSWHY-LBPRGKRZSA-N 205.257 2.131 0 30 BEAC CCC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 83069059 QXPODYGRSAPFDR-VIFPVBQESA-N 227.304 2.223 0 30 BEAC CC(C)[C@@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)O 69271541 NAPCCAHFOLFWRQ-KBPBESRZSA-N 247.338 2.475 0 30 BEAC Clc1cccc(-c2nc3c([nH]2)CCNC3)c1 76680497 XWJRJDMWLALLTK-UHFFFAOYSA-N 233.702 2.376 0 30 BEAC NCc1cccc(Oc2ccncc2)c1 39090714 HEZVDGSFVTWEBA-UHFFFAOYSA-N 200.241 2.333 0 30 BEAC CNCCc1ccc(OC)c(Br)c1 53301993 YLWFORLQLZRAND-UHFFFAOYSA-N 244.132 2.220 0 30 BEAC CC(C)[C@](N)(C(=O)O)c1ccc(Cl)cc1 75835632 QIFFAJYJSOPILE-LLVKDONJSA-N 227.691 2.235 0 30 BEAC COC(=O)c1ccc(F)c2cnccc12 82769766 QTEVQKTYBWTYEX-UHFFFAOYSA-N 205.188 2.161 0 30 BEAC in-vitro COc1ccc(Br)c(N)c1C 118059802 RBWZOMNQRWINDY-UHFFFAOYSA-N 216.078 2.348 0 30 BEAC COC(=O)Cc1ccc(SC)c(F)c1 149223736 YXXFDWTVCGGYMM-UHFFFAOYSA-N 214.261 2.263 0 30 BEAC Brc1cnn2c1CCCCC2 211372715 OPRWCYVUVUXVOG-UHFFFAOYSA-N 215.094 2.372 0 30 BEAC in-vitro CC(C)(C)OC(=O)NCc1ccc(F)nc1 306778912 SLCLEQVEGAGNGD-UHFFFAOYSA-N 226.251 2.245 0 30 BEAC C[C@@H]1NC[C@H](C)N(Cc2ccccc2)[C@H]1C 307024546 YWCNGENQNHPONV-AVGNSLFASA-N 218.344 2.257 0 30 BEAC c1ccc([C@@H]2OC[C@@H]([C@@H]3CCCCN3)O2)cc1 2037009 XKGUUISNOPCNKA-MELADBBJSA-N 233.311 2.243 0 30 BEAC N=c1[nH]c(Br)c(C(F)(F)F)s1 584629928 BDILASCZMQCAFC-UHFFFAOYSA-N 247.039 2.337 0 30 BEAC CC(C)(C)OC(=O)N1CCC[C@@H]1CCCO 52758946 JZSNIRHFBXQBTF-SNVBAGLBSA-N 229.320 2.158 0 30 BEAC in-vitro Nc1nccc(/C=C/c2ccc(F)cc2)n1 58602679 QGAOUYWNAJXHKS-ZZXKWVIFSA-N 215.231 2.368 0 30 BEAC Cc1c(N)cnc2c1nc1c(C)cccn12 13209664 GPPJRZSFNCYXMK-UHFFFAOYSA-N 212.256 2.082 0 30 BEAC CNc1nc(Cl)nc2c(F)cccc12 129343098 GNAVCNBCNWXIEQ-UHFFFAOYSA-N 211.627 2.464 0 30 BEAC COP(=O)(OC)[C@@H]1C2C[C@@H]3C1[C@@H]3C2 5051721 LNJZOUNKFXDNDY-WUSGRAFWSA-N 202.190 2.127 0 30 BEAC CCO[P@]1(=O)O[C@H](C)C=C1C(C)(C)O 39098844 BQOCJOCEXADCNG-UOWDBTKRSA-N 220.205 2.290 0 30 BEAC CCOC(=O)Cc1nccc2ccccc12 39642417 IOQUTNXSFDEEPS-UHFFFAOYSA-N 215.252 2.340 0 30 BEAC Cc1cccc(CNc2ccnc(Cl)n2)n1 51850405 WRCXTLLZPKPDRR-UHFFFAOYSA-N 234.690 2.446 0 30 BEAC O[C@@H]1CN[C@H](c2cccc(C(F)(F)F)c2)C1 69970287 SROZVXVUBRGZGK-UWVGGRQHSA-N 231.217 2.101 0 30 BEAC in-vitro Fc1ccc2nc(C3CCNCC3)oc2c1 82523945 YAAVWFANPKDIGK-UHFFFAOYSA-N 220.247 2.434 0 30 BEAC COc1cc(C)nc(Br)c1 142680412 INSGGSVFDPIUMA-UHFFFAOYSA-N 202.051 2.161 0 30 BEAC CC(C)[C@]1(OC=O)CC=C(CCOC=O)CC1 5761492 GWSRKPZGWXNWPF-ZDUSSCGKSA-N 240.299 2.228 0 30 BEAC c1ccc2c(c1)C[C@@H]([C@H]1CCCN1)CN2 12357051 GGYJIOPBXKUYGC-DGCLKSJQSA-N 202.301 2.023 0 30 BEAC COc1ccccc1C[C@@H]1CCC[C@H]1O 43656334 BEZPHADQLNSEQG-CMPLNLGQSA-N 206.285 2.399 0 30 BEAC in-vitro Cc1ccc(F)c(Br)c1N 75926067 QWAYQUHVVUYSHD-UHFFFAOYSA-N 204.042 2.479 0 30 BEAC in-vitro CC(C)(C)c1cc(N)nn1Cc1cccnc1 95882088 VDJHHEPUGZPSTD-UHFFFAOYSA-N 230.315 2.206 0 30 BEAC COC(=O)c1cc(N=C=S)ccc1OC 148750359 RWTUCLUUHRGBDU-UHFFFAOYSA-N 223.253 2.216 0 30 BEAC O=C1CCCCCCCCCNCCCN1 196307339 LUWJEPIARFBFBJ-UHFFFAOYSA-N 226.364 2.217 0 30 BEAC CCCn1c(SC)nnc1SC 93070 AXIYLTGSUMUHRG-UHFFFAOYSA-N 203.336 2.132 0 30 BEAC CCCCN1CCN(C(=O)OC(C)(C)C)CC1 34507410 NCCMVMZWKJDRAE-UHFFFAOYSA-N 242.363 2.339 0 30 BEAC CC(C)(C)OC(=O)N1C[C@H](N)[C@H]2CCCC[C@@H]21 215616018 CHEFDUFBSUSPOZ-VWYCJHECSA-N 240.347 2.123 0 30 BEAC COC(=O)c1cc(Cl)c2c(n1)CCCC2 218338115 IBKVLEGTGNNBRU-UHFFFAOYSA-N 225.675 2.400 0 30 BEAC CO/C=C/c1ccc(OCOC)c(OC)c1 2265351472 BDMGRKBDGIFESH-VOTSOKGWSA-N 224.256 2.295 0 30 BEAC Cc1nc(-c2ccccn2)[nH]c(=O)c1CC1CC1 18188460 QARBRPHMSCDUIJ-UHFFFAOYSA-N 241.294 2.093 0 30 BEAC CCC[C@@H](OC(=O)C(C)C)[C@@H](CC)CO 32218651 SXNNFRPGPOKUEN-WDEREUQCSA-N 216.321 2.373 0 30 BEAC CCCC[C@H](O)COC[C@@H](O)CCCC 38643388 RYRFLXXPQQYFTJ-RYUDHWBXSA-N 218.337 2.105 0 30 BEAC CCc1ccc2[nH]cc(CCNC(C)=O)c2c1 39102966 FXMLNCITBKIOGV-UHFFFAOYSA-N 230.311 2.409 0 30 BEAC CC1(C)CCN(c2ccc(N)cn2)CC1 61819218 MDAOPCUZDWUMOT-UHFFFAOYSA-N 205.305 2.290 0 30 BEAC in-vitro Cc1cc2nc(CCCO)[nH]c2cc1C 12339240 ORTMBDIEOVCLQT-UHFFFAOYSA-N 204.273 2.105 0 30 BEAC Nc1c2c(nc3cc(F)ccc13)CCC[C@H]2O 14946468 GHPCZOLZFWUXCH-LLVKDONJSA-N 232.258 2.326 0 30 BEAC Nc1cccc2c1CN(CC(F)(F)F)C2 36683536 VWVQSXKERDEZAA-UHFFFAOYSA-N 216.206 2.147 0 30 BEAC in-vitro COc1cc(CCN)c(OC)c2c1CCCC2 37627803 LBXJFOGUUUOECQ-UHFFFAOYSA-N 235.327 2.084 0 30 BEAC CC(C)(C)OC(=O)CCC1CCNCC1 50928456 XIFYQVRZWPGXAU-UHFFFAOYSA-N 213.321 2.108 0 30 BEAC CC(C)(C)OC(=O)NC1C[C@@H]2CC(N)C[C@H]2C1 259247827 SJCUUGRNKSKSMY-SAAXCQNUSA-N 240.347 2.027 0 30 BEAC O=C(OCc1ccccc1)N1CCCCO1 307325805 MHJCCQHMRUJLID-UHFFFAOYSA-N 221.256 2.351 0 30 BEAC CCOc1ccc2c(c1)CCN(C)CC2 39100449 LLCHFYPWIAJCQD-UHFFFAOYSA-N 205.301 2.116 0 30 BEAC COc1ccnc2cc(C(=O)O)sc12 108273833 DCOZMCMMDPVKBJ-UHFFFAOYSA-N 209.226 2.003 0 30 BEAC C[C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)N1 238437508 FQRMBGGAKFARQJ-IUCAKERBSA-N 214.309 2.299 0 30 BEAC CCCCOC(=O)C[C@](C)(O)C=C(C)C 5821392 QTFZJAKYCVIQBN-GFCCVEGCSA-N 214.305 2.437 0 30 BEAC CCCCCc1cnc2nc(N)nc(N)c2c1C 33856495 VSRYFZMVIDGGOT-UHFFFAOYSA-N 245.330 2.230 0 30 BEAC C/C=C/COC(=O)COCCCCC 33985408 QHBHZWFMPCJXIQ-GQCTYLIASA-N 200.278 2.313 0 30 BEAC O=C(O)CCc1nccc2ccccc12 35569640 MZBGKUUUMZHXCL-UHFFFAOYSA-N 201.225 2.252 0 30 BEAC CCC1(CC)OC[C@@H](C[C@@H]2CCC(=O)O2)O1 39102812 LNHCZJCAODPPAT-VHSXEESVSA-N 228.288 2.014 0 30 BEAC Cc1cc(C(=O)Nc2ccccc2)c(CO)o1 32179281 RIMLHVRLNGECQA-UHFFFAOYSA-N 231.251 2.333 0 30 BEAC CC(C)(C)c1ccc2oc(N)c(C=O)c(=O)c2c1 100375940 RTJXYKXORXPRQW-UHFFFAOYSA-N 245.278 2.485 0 30 BEAC Cc1ccccc1-c1ccccc1S(N)(=O)=O 115270573 IIBMQRQHYZAFLE-UHFFFAOYSA-N 247.319 2.309 0 30 BEAC C[C@@H]1NC[C@@H](C)N(Cc2ccccc2)[C@@H]1C 307024547 YWCNGENQNHPONV-FRRDWIJNSA-N 218.344 2.257 0 30 BEAC CCN(CC)C(=S)SCCCCO 388737903 XBXKKIZTSFPXPO-UHFFFAOYSA-N 221.391 2.119 0 30 BEAC C[C@@H](O)CCC(=O)OC1CCCCC1 39090753 JJPQMXMPJSZJCL-SECBINFHSA-N 200.278 2.023 0 30 BEAC Brc1cccc(CN2CCCC2)n1 238025748 GSIGGKMZJYTAIN-UHFFFAOYSA-N 241.132 2.440 0 30 BEAC N#Cc1ccc(C(F)(F)F)c(C(=O)O)c1 238629287 JPUAZDLMZIKSNE-UHFFFAOYSA-N 215.130 2.275 0 30 BEAC CN1N=C(C=Cc2ccccc2)CCC1=O 2265222006 ALNKXYSIOOSXLW-UHFFFAOYSA-N 214.268 2.308 0 30 BEAC CC(C)c1ccc(N2COCNC2=O)cc1 2585902 OVAOTAMPZDHISX-UHFFFAOYSA-N 220.272 2.271 0 30 BEAC c1cnn(-c2ccc(CNC3CC3)cc2)c1 34652409 ALHAJHUXSKUWAN-UHFFFAOYSA-N 213.284 2.124 0 30 BEAC in-vitro NC[C@@H](CCO)c1ccc(C(F)(F)F)cc1 84192946 PETOTKQNMZNSBN-SECBINFHSA-N 233.233 2.130 0 30 BEAC O[C@@H]1CCNc2ccc(Br)c(F)c21 306939104 NKRHZBUTZXZKEX-SSDOTTSWSA-N 246.079 2.437 0 30 BEAC Brc1cnncc1Br 26459848 JKXWYINFVKOAIC-UHFFFAOYSA-N 237.882 2.002 0 30 BEAC CC(=O)NC(CC(C)C)(CC(C)C)C(=O)O 34620589 PSZOYVKEMGAHQP-UHFFFAOYSA-N 229.320 2.038 0 30 BEAC CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H](O)C1 143646722 HBWLTSDYLCAHDX-ZJUUUORDSA-N 229.320 2.205 0 30 BEAC CC(C)(C)OC(=O)NCc1ccsc1N 198666269 AAJPCDKPNQLYDC-UHFFFAOYSA-N 228.317 2.355 0 30 BEAC CCCC(CCC)(C(=O)OC)N(C)C 223538883 GMXUNPFUBSIHEU-UHFFFAOYSA-N 201.310 2.060 0 30 BEAC COC(=O)CSCC[Si](C)(C)C 223731283 FYDZOSXHKQCEBD-UHFFFAOYSA-N 206.383 2.231 0 30 BEAC COc1ccc(OC)c(C=O)c1Br 59514205 DVXQFFXHEVVPIS-UHFFFAOYSA-N 245.072 2.279 0 30 BEAC O=C(O)c1ccc(OC(F)F)nc1Cl 306718162 ILYAHRKPNMMRLW-UHFFFAOYSA-N 223.562 2.035 0 30 BEAC CC(C)(C)OC(=O)N(CCC(=O)O)CC1CC1 584880265 SPXZQBLVCSTGMD-UHFFFAOYSA-N 243.303 2.108 0 30 BEAC Cc1nc(-c2ccc(-c3noc(C)n3)cc2)no1 110026 PAOJQMUEDGHLKP-UHFFFAOYSA-N 242.238 2.403 0 30 BEAC COc1ccc(-c2ncc(CN)s2)cc1 11760589 UVUNPTUFONUBNC-UHFFFAOYSA-N 220.297 2.277 0 30 BEAC COC(=O)c1cc(N)cc(Cl)c1Cl 62350400 JEWUMKBIZFDWSI-UHFFFAOYSA-N 220.055 2.362 0 30 BEAC Cc1cc(C(C)C)nc(C2CCNCC2)n1 70950725 ATWGCWUCSCOSHJ-UHFFFAOYSA-N 219.332 2.375 0 30 BEAC O=C(O)c1ccc(C2=CCOCC2)cc1 113796451 FJWBASXVJVQCMK-UHFFFAOYSA-N 204.225 2.189 0 30 BEAC Cc1nn(C(F)(F)F)cc1Br 220721365 IACAADRIGQJYRF-UHFFFAOYSA-N 228.999 2.430 0 30 BEAC CC(=O)Nc1cnn2c(C)nc3ccccc3c12 2017 JTIDKHDQCMBOEG-UHFFFAOYSA-N 240.266 2.149 0 30 BEAC in-man C[C@H](O)c1ccc(-n2cccn2)c(F)c1 35631796 ORNJAZNBTXRTHF-QMMMGPOBSA-N 206.220 2.065 0 30 BEAC in-vitro OCc1ncc(-c2ccc(Cl)cc2)o1 36757631 NBXQCZNJLJIPER-UHFFFAOYSA-N 209.632 2.487 0 30 BEAC in-vitro CC(C)CCC/C=C/[C@@H]1CC(=O)OC1=O 100124954 LEPCLHGXVYGPQO-BREXMAIKSA-N 210.273 2.459 0 30 BEAC CCOC(=O)c1nc2ccc(OC)cc2s1 1513372 NPDISFVHQWZGNA-UHFFFAOYSA-N 237.280 2.482 0 30 BEAC CCN1CCC(c2[nH]nc3c2CCCCN3)CC1 3698310 PVSZDJBAZLLFKI-UHFFFAOYSA-N 248.374 2.357 0 30 BEAC CCOC(=N)[C@@H](O)c1cc(C)cc(F)c1OC 39424721 YQAJFQRKEGCZLW-JTQLQIEISA-N 241.262 2.190 0 30 BEAC COc1ccccc1N1CCCCC1=O 41213630 KFKPLXAZHOOZLF-UHFFFAOYSA-N 205.257 2.212 0 30 BEAC CCOC(=O)c1cc(C(=O)c2ccccc2)c[nH]1 115342229 AKGPFUFYYZPTQT-UHFFFAOYSA-N 243.262 2.422 0 30 BEAC O=C(O)c1c[nH]c2cc3ccccc3cc2c1=O 39122437 RZRAAGLOYDDKQD-UHFFFAOYSA-N 239.230 2.380 0 30 BEAC CCOC(=O)c1ccc(F)c(Br)n1 47203024 CURXEPHOFMUDQR-UHFFFAOYSA-N 248.051 2.160 0 30 BEAC C[C@](O)(Oc1cccc2ccccc12)C(=O)O 96331905 IMXAPUAYUXZOBU-ZDUSSCGKSA-N 232.235 2.012 0 30 BEAC O=C(O)Cc1c(Cl)cc(O)cc1Cl 147654132 JVUHDUIPTCPANS-UHFFFAOYSA-N 221.039 2.326 0 30 BEAC CCOC(=O)[C@@]12CCCCC=C1OCC2 950757392 YQALZQIYAWAPMF-GFCCVEGCSA-N 210.273 2.414 0 30 BEAC COc1cc2cnccc2c(OC)c1OC 38221407 OEJOVFSDPNFRGL-UHFFFAOYSA-N 219.240 2.261 0 30 BEAC CC(C)(C(=O)O)c1cccc(Br)n1 202091493 CPIKGZBTIUHSRA-UHFFFAOYSA-N 244.088 2.206 0 30 BEAC Cc1ccc(S(=O)(=O)[N@]2[C@H]3C=CCC[C@@H]32)cc1 2265352283 ZKIDRRFCDGTGHN-MELADBBJSA-N 249.335 2.087 0 30 BEAC Cc1nc(-c2ccnc(S)n2)cs1 123050 YBLKNODDQAOXAP-UHFFFAOYSA-N 209.299 2.197 0 30 BEAC C[C@@H](c1ccncc1)N(CC1CC1)C(N)=S 39125034 KEMLILBGBYFHBZ-VIFPVBQESA-N 235.356 2.098 0 30 BEAC COc1ccc2c(c1)[C@@H](O)C[C@H](C(F)F)O2 43464920 ARCRCIFIKXIOMZ-WCBMZHEXSA-N 230.210 2.145 0 30 BEAC Cc1cc(C)c(N2CCNCC2)c(C)c1 11632566 JGBQQUPVGSNEPI-UHFFFAOYSA-N 204.317 2.021 0 30 BEAC CNc1ccccc1I 20359023 WSLMOORTNOTZCO-UHFFFAOYSA-N 233.052 2.333 0 30 BEAC Nc1ccc2c(c1)ncn2CC(F)(F)F 52841946 JCWIOJCSBKIHPJ-UHFFFAOYSA-N 215.178 2.181 0 30 BEAC C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)N1 308316916 GNDMYZBKBJRDSQ-OPRDCNLKSA-N 213.321 2.105 0 30 BEAC C[C@@H]1CO[C@@H](C(Cl)(Cl)Cl)O1 2037920 YNEGMVUIENQSCP-QWWZWVQMSA-N 205.468 2.118 0 30 BEAC Cc1ccccc1NC(=O)C(C)(C)N(C)C 39110221 XMTZLWUYXUGPTB-UHFFFAOYSA-N 220.316 2.274 0 30 BEAC CC(C)(C)OC(=O)[C@H]1O[C@@H]1c1ccccc1 39278674 LKKOTPSFKLPCQF-MNOVXSKESA-N 220.268 2.468 0 30 BEAC COc1cc2c(c(O)c1C)CO[C@H](C)C2 1842391 OQMJILQCXYKZEM-SSDOTTSWSA-N 208.257 2.170 0 30 BEAC endogenous,in-man COc1cccc(OCCC(C)(C)N)c1 20398724 XSBYCJJGRLRNRG-UHFFFAOYSA-N 209.289 2.201 0 30 BEAC CCOC1CC(C)(C)N(O)C(C)(C)C1 27100005 AHPXMHKEFQCGBY-UHFFFAOYSA-N 201.310 2.434 0 30 BEAC Clc1ccc(COC[C@@H]2CCCNC2)cn1 40434925 MIMOJGOVRFUORH-SNVBAGLBSA-N 240.734 2.251 0 30 BEAC COc1ccccc1C[C@H]1CCC[C@@H]1O 43656332 BEZPHADQLNSEQG-PWSUYJOCSA-N 206.285 2.399 0 30 BEAC in-vitro C[C@@H](Cc1ccccc1)N1CCC(=O)CC1 62187358 GGUGTDILXPSMFH-LBPRGKRZSA-N 217.312 2.283 0 30 BEAC in-vitro CC(C)N1CC[C@@H](N)[C@@H]1c1ccc(F)c(F)c1 70299224 NYTMJOXACKSUEO-OLZOCXBDSA-N 240.297 2.447 0 30 BEAC in-vitro CC1(C)C(c2ccccc2)=[N+]([O-])C(C)(C)N1[O] 100074222 ZWDCBKCWJMCKOF-UHFFFAOYSA-N 233.291 2.162 0 30 BEAC CC1(C)C[C@H](O)CN1Cc1ccccc1 258847828 QHHWNZGAHJFNBO-LBPRGKRZSA-N 205.301 2.032 0 30 BEAC C[C@]1(c2cncc(Br)c2)CCO1 1535543906 ZBRQKICYIXFFCB-SECBINFHSA-N 228.089 2.480 0 30 BEAC NCc1ccc2ncccc2c1Br 2265385674 BQHNXWTYRXIGMX-UHFFFAOYSA-N 237.100 2.456 0 30 BEAC CCOc1cc(C[C@@H](N)CC)ccc1O 36778908 AQCBTOLQODMENC-JTQLQIEISA-N 209.289 2.071 0 30 BEAC Cc1ccccc1[C@@H](O)C1CCNCC1 41213958 DTXDCYDUPKNSPV-ZDUSSCGKSA-N 205.301 2.028 0 30 BEAC O[C@H]1CCc2ccc(Br)cc2C1 238726681 UGQHSPTYEKKEJS-JTQLQIEISA-N 227.101 2.299 0 30 BEAC CC(C)(C)[C@H]1Oc2ccccc2NC1=O 34122216 IDVSMRWTSJNUPN-JTQLQIEISA-N 205.257 2.432 0 30 BEAC Cc1ccc(C2(C(=O)O)CCC(=O)CC2)cc1 35630102 IGJQKWIMCAZJCO-UHFFFAOYSA-N 232.279 2.461 0 30 BEAC CN(C)[C@H]1CCN(c2ccc(N)cc2Cl)C1 62965496 DKVYEMYXXPQXCN-JTQLQIEISA-N 239.750 2.063 0 30 BEAC C[C@@H]1CCC[C@@H]1NCCc1ccccn1 70830010 ASOYTFCDGIFTKN-YPMHNXCESA-N 204.317 2.402 0 30 BEAC Fc1cccc(-c2nc3cncnc3[nH]2)c1F 135061360 BQXUVRWLGFOBOW-UHFFFAOYSA-N 232.193 2.298 0 30 BEAC O=c1ccoc(C2(C(F)(F)F)CC2)c1 584636357 KQHNFNWZJAJJET-UHFFFAOYSA-N 204.147 2.234 0 30 BEAC C[C@@H]1CN=C(SCc2ccccc2)N1 13464773 OCQROYRCXHNHQK-SECBINFHSA-N 206.314 2.268 0 30 BEAC NCc1cnc(Cc2ccc(F)cc2)s1 40996522 YTINKJUIPIWFMF-UHFFFAOYSA-N 222.288 2.332 0 30 BEAC CC(C)(C)OC(=O)C1(F)CCC(=O)CC1 220605324 FWQPYKPCXWNPPQ-UHFFFAOYSA-N 216.252 2.180 0 30 BEAC COc1cccc2c(=O)[nH]c(Cl)cc12 238401226 PWJYFMPMNIYTGR-UHFFFAOYSA-N 209.632 2.190 0 30 BEAC O=C(O)[C@H]1C[C@](O)(c2ccc(Cl)cc2)C1 498036374 FLCBXWHHAZRVRQ-DGFRNANFSA-N 226.659 2.022 0 30 BEAC CCOc1ncccc1N1CCCCC1 45805704 BIUJBQJVOZIHAQ-UHFFFAOYSA-N 206.289 2.471 0 30 BEAC Cc1cc(C(=O)O)cc(C(F)(F)F)n1 82379956 ZFJPIYGOQQONAT-UHFFFAOYSA-N 205.135 2.107 0 30 BEAC CN(C(=O)C(C)(C)C)[C@@H]1C[C@H]2C=C[C@H]1C2 100239655 QOALFBGMYNMKDM-GARJFASQSA-N 207.317 2.456 0 30 BEAC CC(C)C[C@@H](CCO)NC(=O)OC(C)(C)C 113016379 WDNUNTNGUOKMFE-SNVBAGLBSA-N 231.336 2.308 0 30 BEAC COc1cc([C@@H]2CCN2)ccc1Br 238382743 PWPLIPZSANJBQB-VIFPVBQESA-N 242.116 2.492 0 30 BEAC CC(C)(C)OC(=O)c1cnc(Cl)nc1 306343551 NCABYXLNTLXYFB-UHFFFAOYSA-N 214.652 2.085 0 30 BEAC COC(CCCCCCCC(=O)O)OC 14619873 XDIISQHQFQMEIB-UHFFFAOYSA-N 218.293 2.421 0 30 BEAC CCOC(=O)[C@H](C)Sc1ccc(O)cc1 21984462 MBJJVXODYFHLGZ-QMMMGPOBSA-N 226.297 2.436 0 30 BEAC CN1[C@@H]2CC=C(c3cccnc3)[C@H]1CC2 26178752 MKVMJKIOMVPWCL-DGCLKSJQSA-N 200.285 2.332 0 30 BEAC COC(=O)CC(C)(CC(=O)OC)CC(C)C 32302547 GMDRTCDTAZMQBC-UHFFFAOYSA-N 230.304 2.165 0 30 BEAC CC(C)(C)OC(=O)N1CCCC[C@@H](N)CC1 145253170 CYRVZPXAHIAGAG-SNVBAGLBSA-N 228.336 2.125 0 30 BEAC in-vitro Oc1ccc2c(c1)CCN[C@@H]2c1cccnc1 35086930 ZOFDCRNANURLMT-CQSZACIVSA-N 226.279 2.022 0 30 BEAC CCO[C@H]1CCN(Cc2ccccc2)O1 39099521 YRDDLFHCJMZFLD-GFCCVEGCSA-N 207.273 2.187 0 30 BEAC CC(=O)CC(=S)N(C(C)=O)c1ccccc1 39125010 IKGUCTAJLIVXDZ-UHFFFAOYSA-N 235.308 2.346 0 30 BEAC CCOC(=O)c1ccc2cnn(CC)c2c1 79065483 GZKOYEWYCORFGQ-UHFFFAOYSA-N 218.256 2.233 0 30 BEAC CC(C)(C)OC(=O)[C@@H]1CCCC[C@@H]1CN 84300791 QKPRNENUGIJRRL-NXEZZACHSA-N 213.321 2.093 0 30 BEAC COP(=O)(OC)C(C)(C)CC(C)=O 5159502 MOMJYWJXUNIBGJ-UHFFFAOYSA-N 208.194 2.230 0 30 BEAC Fc1ccc(-c2nnc3ccncc3n2)cc1 26505361 MTOKXMIUBZRWQT-UHFFFAOYSA-N 226.214 2.226 0 30 BEAC O=C(O)c1nc(Cl)sc1Br 31772045 XKHUFILOBFSNCJ-UHFFFAOYSA-N 242.481 2.257 0 30 BEAC Nc1cc(Cl)c(C(=O)O)cc1Cl 34368040 IFEACDHORUZYIT-UHFFFAOYSA-N 206.028 2.274 0 30 BEAC CS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 114155177 TVSPAWYNFGUXPU-UHFFFAOYSA-N 242.193 2.248 0 30 BEAC CNc1ccc(OCCN2CCCC2)cc1 31978464 ZMDDOSWQDIJCRL-UHFFFAOYSA-N 220.316 2.203 0 30 BEAC in-vitro CCN[C@H](CC)Cc1ccc2c(c1)OCO2 37627982 IYZPKSQJPVUWRO-LLVKDONJSA-N 221.300 2.346 0 30 BEAC Cc1cc(-c2nc3ccccc3n2C)c(O)nn1 38342388 AXCXJPGZMSSEOJ-UHFFFAOYSA-N 240.266 2.044 0 30 BEAC in-vitro CC(C)(O)c1ccc(C(F)(F)F)nc1 72194634 STLZRNRPGIKLHI-UHFFFAOYSA-N 205.179 2.328 0 30 BEAC CN1CCC[C@@H](Cc2cccc(N)c2)C1 214565319 IQNRGLZYIPPDJV-LBPRGKRZSA-N 204.317 2.153 0 30 BEAC CC[C@@H]1CCN[C@@H]1C1CCN(CC)CC1 3733524 MOUFRUAZVSDGNE-YPMHNXCESA-N 210.365 2.106 0 30 BEAC CCCCC[C@H](CC(=O)OC)OC(C)=O 32167230 HGSORJXMRKICEG-SNVBAGLBSA-N 216.277 2.062 0 30 BEAC CC(C)C[C@H](C(=O)O)N1CCCCCC1 38086518 NQNDXUCADDEBBB-LLVKDONJSA-N 213.321 2.362 0 30 BEAC C[C@@H]1CCO[C@H](COc2ccccc2)O1 38648048 ACCCAQVFLWDUTB-PWSUYJOCSA-N 208.257 2.217 0 30 BEAC c1ccc(CN2C[C@@]34CCC[C@]3(CNC4)C2)cc1 1535320933 YGZQMQLLYOJBSF-HOTGVXAUSA-N 242.366 2.262 0 30 BEAC Cc1ccc(NC(=O)c2ccc(N)cc2)nc1 5419971 BARXDSNMNYUFCZ-UHFFFAOYSA-N 227.267 2.225 0 30 BEAC COc1cccc([C@H](N)c2cccnc2)c1 37466378 BTPPBEUHBACCTH-ZDUSSCGKSA-N 214.268 2.138 0 30 BEAC Cc1cc(C(C)C)ccc1S(=O)(=O)O 95932819 UMNWEWIVQMUGBX-UHFFFAOYSA-N 214.286 2.365 0 30 BEAC Nc1cc(C2CCC(F)(F)CC2)n[nH]1 98096608 GKNUVVNBWLQGQL-UHFFFAOYSA-N 201.220 2.285 0 30 BEAC in-vitro CCOC(=O)[C@@H](F)C(=O)C1CCCCC1 100089248 NATMEFKNQCUZCZ-VIFPVBQESA-N 216.252 2.037 0 30 BEAC Ic1ncoc1C1CC1 2265384965 LJMMHROXKAOAKK-UHFFFAOYSA-N 235.024 2.157 0 30 BEAC CCC(=O)Nc1nn(C)c2cccc(F)c12 114797 CAWNPJKZOKHACT-UHFFFAOYSA-N 221.235 2.061 0 30 BEAC Cc1ccccc1-n1nc(C)c(N)c1C 32010016 FKHZEHDLOJPUIC-UHFFFAOYSA-N 201.273 2.380 0 30 BEAC COc1ccc2nc(C)c(O)c(C(C)=O)c2c1 148961877 VYQNOCJQXHVGJA-UHFFFAOYSA-N 231.251 2.460 0 30 BEAC Cc1cc(Cl)nc([C@H]2C[C@H]3CC[C@H]2O3)n1 250972106 XGLCZVZAOZQCHL-HRDYMLBCSA-N 224.691 2.473 0 30 BEAC CCOP(=O)(CCCC(=O)OC)OCC 71779111 BNJCIPRKOROZDI-UHFFFAOYSA-N 238.220 2.206 0 30 BEAC COC(=O)C(=CN(C)C)c1cccc(Cl)c1 4039513 LVQYIGYXJTTZFX-UHFFFAOYSA-N 239.702 2.416 0 30 BEAC Clc1ncc2nc(Cl)sc2n1 32236524 CPBSXTOXLUDODA-UHFFFAOYSA-N 206.057 2.393 0 30 BEAC COc1ccccc1-c1ccc(CO)cn1 39927628 CCRKHGQWAQQTEP-UHFFFAOYSA-N 215.252 2.250 0 30 BEAC Brc1cnn(CC2CCC2)c1 40544299 MEGSJLMAKZPTTO-UHFFFAOYSA-N 215.094 2.446 0 30 BEAC COC(=O)[C@@H]1CCC=CN1C(=O)OC(C)(C)C 71973756 RTCPAVHGPYCFNT-VIFPVBQESA-N 241.287 2.073 0 30 BEAC CC(C)(CO)c1cc(Br)ccn1 238125390 OAUWFBQZOSMJCT-UHFFFAOYSA-N 230.105 2.114 0 30 BEAC COC(=O)c1c(C(C)(C)C)csc1N 15440719 HMQYLLAFKIOSMU-UHFFFAOYSA-N 213.302 2.414 0 30 BEAC COc1cc(CCN)c(OC)c2ccccc12 27213282 VKWQEEWEGKDTDE-UHFFFAOYSA-N 231.295 2.358 0 30 BEAC CC[C@@H]1CCN(C(=O)OC(C)(C)C)CC1=O 146798049 NZOQOABMCRMKJZ-SECBINFHSA-N 227.304 2.223 0 30 BEAC Fc1ccc(F)c([C@@H]2C[C@@H](F)CN2)c1 1952865467 SMQYQMQTCFRHEJ-XCBNKYQSSA-N 201.191 2.337 0 30 BEAC O=C1CS[C@@H](c2ccncc2)N1CC1CC1 101038 RBPZSZSKFDJAAG-LBPRGKRZSA-N 234.324 2.066 0 30 BEAC COc1ccc(C=CC2=NN(C)C(=O)CC2)cc1 2265276216 WEWIIGRQOVQDCT-UHFFFAOYSA-N 244.294 2.317 0 30 BEAC CC(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C 2562263 GCCVRCZMVYRDCO-LDYMZIIASA-N 219.240 2.115 0 30 BEAC CNC[C@@H]1CCCO[C@@H]1c1ccccc1 47843811 ZXKAIBMKDZEEGN-QWHCGFSZSA-N 205.301 2.374 0 30 BEAC in-vitro CCOC(=O)c1ccc2c(C=O)c[nH]c2c1 72319798 YNSYTQBKMLZEQM-UHFFFAOYSA-N 217.224 2.157 0 30 BEAC BrC1=CCC2=C1N=C1NCCC=C12 237960541 BVZVRHGNBNYHJE-UHFFFAOYSA-N 237.100 2.255 0 30 BEAC Cc1cc(NCc2ccncc2)sn1 15042031 CDJAYPKYOPGKPP-UHFFFAOYSA-N 205.286 2.459 0 30 BEAC C[C@H](O)c1ccc(F)cc1OC(F)F 62748905 HNONPQNUQKFOEB-YFKPBYRVSA-N 206.163 2.480 0 30 BEAC in-vitro Cc1cc(I)ccc1CN 147936541 PFNCKIMYKCGFRU-UHFFFAOYSA-N 247.079 2.058 0 30 BEAC CCOC(=O)[C@H]1CCC(=O)[C@H](C)C1(C)C 335243742 WEWKDSKUVCTQRW-DTWKUNHWSA-N 212.289 2.191 0 30 BEAC COC(F)(F)C(F)(F)c1nccs1 1536221465 IXHNGSNTANCIDD-UHFFFAOYSA-N 215.171 2.474 0 30 BEAC COC(=O)c1c(C)noc1-c1cccs1 120948 YALZFFSWBIUQKN-UHFFFAOYSA-N 223.253 2.498 0 30 BEAC CCN1C(=O)N=C(c2ccccc2)[C@@H]1C 100044315 SIZFQJIWCVIAHN-VIFPVBQESA-N 202.257 2.320 0 30 BEAC CC(C)[C@H]1CC[C@@H](C)C[C@]1(O)CCO 256081485 PXRXEDWPGDGPQZ-IJLUTSLNSA-N 200.322 2.192 0 30 BEAC O=C(O)c1cnc(-c2cc(F)cc(F)c2)nc1 35323365 DGWRARJZGOMGGO-UHFFFAOYSA-N 236.177 2.120 0 30 BEAC C[C@H](c1ccccc1)[C@H](N)C(=O)OC(C)(C)C 211206220 WNWAEQQJVUIGDT-PWSUYJOCSA-N 235.327 2.459 0 30 BEAC Cc1nn2c(c1Br)NC[C@H](C)C2 250886897 BYVPKQLNDWCNDS-YFKPBYRVSA-N 230.109 2.016 0 30 BEAC CC[C@H]1CN(Cc2cnc(C)s2)CC[C@H]1N 251871082 UJWYXJUBMIMGBY-CMPLNLGQSA-N 239.388 2.011 0 30 BEAC Cc1oc(Br)nc1[C@@H]1CCOC1 258973999 SBHMBMYSMZNJPZ-ZCFIWIBFSA-N 232.077 2.249 0 30 BEAC Cn1cc(Br)c2ncccc21 82373786 SFABSAOTNYQZIU-UHFFFAOYSA-N 211.062 2.336 0 30 BEAC O=C1CCC(O)(c2ccc(F)cc2)CC1 84323234 JFJXHTCDSDMHPT-UHFFFAOYSA-N 208.232 2.156 0 30 BEAC CC1(C)C[C@@]23[C@H]4CC(=O)[C@H]2COC(=O)[C@@H]3CC[C@@H]41 105364414 BBIDMUQZCCGABN-VTLCSEFTSA-N 248.322 2.191 0 30 BEAC biogenic Cc1ccc([C@@H](N)C(=O)O)cc1C(F)(F)F 220848191 BJXHBHYTQRATCF-MRVPVSSYSA-N 233.189 2.098 0 30 BEAC CCO[C@@H](C)O[C@H]1C[C@H]2C[C@H]1C=C2N(C)C 584599915 ZLNXXORAQOJWRU-DCQANWLSSA-N 225.332 2.239 0 30 BEAC COc1ccc([C@H](C)N)c(Br)c1 3705386 DDOJRMAWVRDIQG-LURJTMIESA-N 230.105 2.477 0 30 BEAC in-vitro CCOc1ccc2cc(C=O)cnc2c1 39099012 BAUQSXNPDVKKHM-UHFFFAOYSA-N 201.225 2.446 0 30 BEAC C[C@@H](O)CC[C@@H](C)OC(=O)c1ccccc1O 44710190 SNVAUMORJDHTNM-NXEZZACHSA-N 238.283 2.099 0 30 BEAC O=C(O)c1c(F)cccc1OC(F)F 47203363 PYNAIGXTZSNCKP-UHFFFAOYSA-N 206.119 2.125 0 30 BEAC in-vitro N[C@@H]1CCCc2cc(O)c(Br)cc21 83324547 MPHSSXCLAAEXQX-SECBINFHSA-N 242.116 2.491 0 30 BEAC CC[C@H](C)OC(=O)CC(=O)O[C@H](C)CC 90414528 QQXQNPKZBSJJTA-DTORHVGOSA-N 216.277 2.060 0 30 BEAC Cc1nn(-c2ccccc2)c2c1CCC(=O)O2 1565503727 GEBPAYFPUZPIBD-UHFFFAOYSA-N 228.251 2.032 0 30 BEAC CC(=O)O[C@H](c1ccccc1)[C@@H]1CCCCN1 32228596 BKPLVPRTTWIDNL-UONOGXRCSA-N 233.311 2.433 0 30 BEAC in-man FC(F)(F)[C@@H]1CNC[C@H](C2CCCC2)O1 74942705 PQRFYIAFENWTLV-BDAKNGLRSA-N 223.238 2.096 0 30 BEAC COc1cc([C@H]2CCN2)ccc1Br 238386297 PWPLIPZSANJBQB-SECBINFHSA-N 242.116 2.492 0 30 BEAC O=C(OCCc1ccccc1)c1cccnc1 32181089 BSTITMHKRRGVPH-UHFFFAOYSA-N 227.263 2.481 0 30 BEAC COC(=O)c1nc2ccc(F)cc2s1 45236438 UGFSVUAYIZSEPG-UHFFFAOYSA-N 211.217 2.222 0 30 BEAC CCOCCC(=O)c1ccnc(Cl)c1 95931700 ICOOMHKWKSDSJH-UHFFFAOYSA-N 213.664 2.344 0 30 BEAC CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@]1(CN)C2 307146111 GYBAGQFRLWEHDP-GWCFXTLKSA-N 240.347 2.125 0 30 BEAC CSC1=NN[C@@H](c2nn(C)cc2Cl)S1 127378 ZHZBFMOCRSCUEE-ZCFIWIBFSA-N 248.764 2.043 0 30 BEAC COC(=O)c1nccc(-c2ccc(F)cc2C)n1 40456558 KWKKLNNJOPFDCJ-UHFFFAOYSA-N 246.241 2.378 0 30 BEAC N[C@@H](CN1CCCCCC1=O)c1ccccc1 19277581 URSHDPGSRGCKQO-ZDUSSCGKSA-N 232.327 2.089 0 30 BEAC O=C(O)Cc1cccc(OCC2CC2)c1 42417336 BHTUBVZDBCKLFO-UHFFFAOYSA-N 206.241 2.103 0 30 BEAC CCN1C(=O)N=C(c2ccccc2)[C@H]1C 100044312 SIZFQJIWCVIAHN-SECBINFHSA-N 202.257 2.320 0 30 BEAC CCOC(=O)c1c(C)nc(Cl)nc1SC 217337558 JKPPNILEYHBPIL-UHFFFAOYSA-N 246.719 2.337 0 30 BEAC NC(=S)c1ccccc1-n1cccc1 127432 VBKIFDYZFPWJPW-UHFFFAOYSA-N 202.282 2.112 0 30 BEAC in-vitro CN(C)Cc1ccc(O)c2ncccc12 33724421 NKOUWOKWAAFOPU-UHFFFAOYSA-N 202.257 2.002 0 30 BEAC O=C1[C@@H]2CC[C@@H](C2)N1Cc1ccccc1 196050305 PFNDBUGYKATODF-NEPJUHHUSA-N 201.269 2.198 0 30 BEAC CC1(C)C[C@@H](CN)CN(C(=O)OC(C)(C)C)C1 258355377 VFWAFEPLRDWSEU-JTQLQIEISA-N 242.363 2.228 0 30 BEAC CCOC(CC1CCOCC1)OCC 686899464 GCKULPBJABUDDS-UHFFFAOYSA-N 202.294 2.202 0 30 BEAC CC(C)(C)OC(=O)N1C[C@@H](N)CC2(CCC2)C1 686917090 CUXDZDWEOQNYEU-JTQLQIEISA-N 240.347 2.125 0 30 BEAC Cc1ccc(S(=O)(=O)[N@]2[C@H]3C=CCC[C@H]32)cc1 2265352281 ZKIDRRFCDGTGHN-BFHYXJOUSA-N 249.335 2.087 0 30 BEAC Nc1ccc(O)c2c1C(=O)c1ccccc1C2 45803066 UEKXNNPPVYKKMA-UHFFFAOYSA-N 225.247 2.110 0 30 BEAC CCOC(=O)[C@H]1C[C@H](C(C)C)CCC1=O 54556965 BSEGZDIJFOLZPJ-ZJUUUORDSA-N 212.289 2.191 0 30 BEAC c1ccc(-c2cccc(-n3cccn3)n2)nc1 146341344 VIMBMAKZWNNQGI-UHFFFAOYSA-N 222.251 2.329 0 30 BEAC O=C1CO[C@@H](c2ccc(Br)cc2)C1 575502694 VGUQNEGRWSEQGP-SNVBAGLBSA-N 241.084 2.480 0 30 BEAC CN[C@H](C(=O)OC)c1ccc(C(F)(F)F)cc1 37458425 STMZNGHFDRDDTN-VIFPVBQESA-N 247.216 2.139 0 30 BEAC CC(C)(CN)c1cccc(C(F)(F)F)n1 116295906 RIPVEYQHCYGSTI-UHFFFAOYSA-N 218.222 2.337 0 30 BEAC C[C@@H](N)c1ccc(OCCF)c(F)c1 127050403 LADKFSXQIPQQKM-SSDOTTSWSA-N 201.216 2.194 0 30 BEAC Cc1cc(C(=O)Nc2ccccc2)oc(=O)c1 107450 IGFWEBUXOXYFGC-UHFFFAOYSA-N 229.235 2.201 0 30 BEAC Cc1c2cn[nH]c(=O)c2c(C)n1-c1ccccc1 113448 BYHUJWITQRGUOK-UHFFFAOYSA-N 239.278 2.331 0 30 BEAC COc1nc2cc(C)c(C)cc2nc1OC 13821243 MOEBPIYXNBWPEJ-UHFFFAOYSA-N 218.256 2.264 0 30 BEAC CCC12CO[C@@H](C(C)C)N1[C@H](C(C)C)OC2 19942967 ZFNYRUONSKXJOW-RYUDHWBXSA-N 227.348 2.462 0 30 BEAC NCc1cnc(-c2ccc(F)cc2)s1 40996518 SJQBRVJFIPYJHE-UHFFFAOYSA-N 208.261 2.408 0 30 BEAC N[C@H]1CSC=C2C=CC(Br)=C[C@H]21 95921495 RSTPUNCMLHKZJC-BDAKNGLRSA-N 244.157 2.409 0 30 BEAC Cc1nc2nccnc2c(=O)n1C1CCCCC1 3608214 AXGWENQUODTRRH-UHFFFAOYSA-N 244.298 2.000 0 30 BEAC CC(C)c1nc(-c2cccc(O)c2)n[nH]1 53994978 DMLGHJOLUWYGSE-UHFFFAOYSA-N 203.245 2.301 0 30 BEAC C[C@@H](O)C(=O)O[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 136819614 PKKVIPFBICXMFP-VWMGYNLJSA-N 226.316 2.125 0 30 BEAC CN(C)C(=O)Nc1ccc(Cl)cc1O 5957297 DNSFPBQZUFGMGC-UHFFFAOYSA-N 214.652 2.139 0 30 BEAC O=C1NC[C@@H](c2cccc(C(F)(F)F)c2)O1 83967419 BXFZWQBMGJINIQ-QMMMGPOBSA-N 231.173 2.486 0 30 BEAC in-vitro CS(=O)(=O)c1cccc(-c2ccc(N)cc2)c1 95616808 ACSDQOHGQFGCFZ-UHFFFAOYSA-N 247.319 2.339 0 30 BEAC COC(=O)CCC[C@@H](N)c1ccccc1 37483809 IXZCCXDCGSTPLB-LLVKDONJSA-N 207.273 2.030 0 30 BEAC COc1ccc(C=O)c2c(OC)ccc(C=O)c12 44138303 HGZBGPCUMDHKMC-UHFFFAOYSA-N 244.246 2.482 0 30 BEAC C[C@H]1CN(C(=O)OCc2ccccc2)[C@@H](C)CO1 74834976 WPYBUGPTAGJIKY-RYUDHWBXSA-N 249.310 2.432 0 30 BEAC COC(=O)Nc1cccc(NC(=O)OC)c1F 141931 GWGUHKGNGCSCCT-UHFFFAOYSA-N 242.206 2.182 0 30 BEAC CC(C)(Cc1ccc(Cl)cc1)NCCO 3623378 DDKKBTHTVWQJQX-UHFFFAOYSA-N 227.735 2.243 0 30 BEAC in-man Cc1ccc(Cl)c2c(C(=O)O)[nH]nc12 14985888 MXVUGWUWTUHGPV-UHFFFAOYSA-N 210.620 2.223 0 30 BEAC in-vitro CC1(C)CC(C)(C)C([N+](=O)[O-])=C(O)C1=O 33607196 XUKDJCXTIFFHIE-UHFFFAOYSA-N 213.233 2.058 0 30 BEAC c1ccc(OCC[n+]2ccccc2)cc1 33986157 SRDVXCQCCFBDOB-UHFFFAOYSA-N 200.261 2.053 0 30 BEAC CCN[C@@H](C)[C@H](O)c1ccc(C)c(C)c1 39105560 OBPVXOPEMRBTNE-AAEUAGOBSA-N 207.317 2.335 0 30 BEAC CNc1cccc(OC2CCN(C)CC2)c1 39110279 QZVRZUCDMLNBTR-UHFFFAOYSA-N 220.316 2.201 0 30 BEAC COCCNCc1ccc(F)c(Cl)c1 53156620 ZMDZZNYVKDSBFS-UHFFFAOYSA-N 217.671 2.215 0 30 BEAC in-vitro CCOC(=O)c1ccc2c(c1)NCCS2 95884100 WEBVPJXZRILETE-UHFFFAOYSA-N 223.297 2.381 0 30 BEAC in-vitro CCOC(=O)c1nccn1-c1ccccc1 95936072 FMEWHHFNVCTQJT-UHFFFAOYSA-N 216.240 2.049 0 30 BEAC NC1(c2cccc([C@H]3CCCO3)c2)CC1 95938198 XCGJZCKAXPYEPJ-GFCCVEGCSA-N 203.285 2.486 0 30 BEAC C[C@@H](SC(F)(F)C(F)(F)F)C(=O)O 104840420 QNNWIUVRKQTQFX-UWTATZPHSA-N 224.150 2.348 0 30 BEAC N[C@@H]1CCCc2ncc(Br)cc21 215580570 GQKHFQLFZPLZAB-MRVPVSSYSA-N 227.105 2.180 0 30 BEAC OCc1ncc(C(F)(F)F)cc1CF 2265362104 JZRYPURHGQJZIQ-UHFFFAOYSA-N 209.142 2.062 0 30 BEAC FC(F)(F)c1cccc(N2CCNC2=S)c1 150213 HLYFTWKTMSGCAF-UHFFFAOYSA-N 246.257 2.400 0 30 BEAC CCCN[C@H](C)[C@@H]1COc2ccccc2O1 1843860 RXBKKPJEJZBXOF-MFKMUULPSA-N 221.300 2.215 0 30 BEAC c1ccc(C[C@@H]2OC[C@@H]([C@@H]3CCCCN3)O2)cc1 5933624 BFIHVAAIQMHVLM-SOUVJXGZSA-N 247.338 2.113 0 30 BEAC COc1ccc(Cl)c2[nH]c(C)cc(=O)c12 36075655 WQKSTGUXOLWBPE-UHFFFAOYSA-N 223.659 2.499 0 30 BEAC O=C(O)C(F)(F)c1cnc2ccccc2c1 52232582 QNRYBKYFKBGLOO-UHFFFAOYSA-N 223.178 2.411 0 30 BEAC Cc1nc(=O)c2cccc(C(F)(F)F)c2[nH]1 204724443 FSXNJTMRCMUXSU-UHFFFAOYSA-N 228.173 2.250 0 30 BEAC Cc1nc(-c2ccc(Cl)nc2)[nH]c1C(=O)O 390181939 KCFNDMVTLZFOOQ-UHFFFAOYSA-N 237.646 2.132 0 30 BEAC O=S(=O)(O)Oc1cccc2ccccc12 1681589 FVMQKVNBLZGWAH-UHFFFAOYSA-N 224.237 2.021 0 30 BEAC Fc1cccc(Cl)c1[C@H]1CNCCO1 11803057 LIZOQKDCEHOOFQ-SECBINFHSA-N 215.655 2.140 0 30 BEAC Nc1cnn(-c2ccccc2Br)c1 35779136 OGYVEUYKTGXLMP-UHFFFAOYSA-N 238.088 2.217 0 30 BEAC in-vitro COC(=O)[C@@H](N)Cc1cc(Cl)ccc1Cl 83698646 MYEJEFCNQYWDTG-VIFPVBQESA-N 248.109 2.036 0 30 BEAC Clc1ncc2cnn(-c3ccccc3)c2n1 113625045 ZRORCSUKQUVXSG-UHFFFAOYSA-N 230.658 2.469 0 30 BEAC CC(=O)Nc1cc(Br)c(C)cc1O 716338453 YVKCVGXEYBJLNQ-UHFFFAOYSA-N 244.088 2.422 0 30 BEAC COc1ccc2c(c1)CCN[C@H]2c1ccncc1 19625659 YTQCJMMJKRBJGA-HNNXBMFYSA-N 240.306 2.325 0 30 BEAC COC(=O)c1cc(Br)c(F)s1 98179988 DYLITJFSXJSIRJ-UHFFFAOYSA-N 239.065 2.436 0 30 BEAC CCC(=C/C(=O)OC)/C(=C/C(=O)OC)CC 195776130 OJQOPKJGCNFXDW-FKJILZIQSA-N 226.272 2.005 0 30 BEAC Brc1cnc(NC2CCC2)nc1 39325847 ZNYRNULCKWWGRG-UHFFFAOYSA-N 228.093 2.204 0 30 BEAC N[C@@H]1CCN(c2ccc(Cl)cc2F)C1 42590319 KCQYDDPNSIPFMZ-MRVPVSSYSA-N 214.671 2.017 0 30 BEAC N[C@]1(Cc2ccc(Cl)cc2)CCCOC1 70012819 HWWBHTWGTFSJNX-LBPRGKRZSA-N 225.719 2.390 0 30 BEAC Cc1c(Cl)cccc1N1CCCNCC1 71531978 CPNHKDLXDCRBRW-UHFFFAOYSA-N 224.735 2.448 0 30 BEAC in-vitro CO[C@H](c1ccc(Br)cc1)[C@@H](C)N 42956387 WMCBXGLHDYAABK-XCBNKYQSSA-N 244.132 2.484 0 30 BEAC in-vitro CO[C@H]1Cc2cc(Br)ccc2C1=O 59865201 KPLIZPSUUSDTOV-VIFPVBQESA-N 241.084 2.203 0 30 BEAC C[C@H]1CN(Cc2ccc(F)cc2)[C@H](C)CN1 62611060 VWFLVEICKAOIRL-WDEREUQCSA-N 222.307 2.008 0 30 BEAC OCCc1cc(Br)cs1 78434614 GPAIEIFXXXKXEH-UHFFFAOYSA-N 207.092 2.045 0 30 BEAC NCC(F)(F)c1cccc(Br)c1 95763997 RPNKVLYXVHFSNO-UHFFFAOYSA-N 236.059 2.500 0 30 BEAC Cc1ccc(Cc2c(N)cccc2N)cc1N 33637485 KSCQGJYKWUJKCO-UHFFFAOYSA-N 227.311 2.332 0 30 BEAC O=C(O)c1c[nH]c(-c2ccc(Cl)cc2)n1 38975765 CWVVTDSOZJIEGN-UHFFFAOYSA-N 222.631 2.428 0 30 BEAC CCc1cnc(C2(O)CCC(=O)CC2)s1 39102558 QJUAGKBDTHHPJH-UHFFFAOYSA-N 225.313 2.036 0 30 BEAC O=C1COc2cc(OCc3cccnc3)ccc21 57523935 OENRYDAQVOAEIV-UHFFFAOYSA-N 241.246 2.236 0 30 BEAC CC(C)(C)OC(=O)NCC[C@H]1CC[C@@H](N)C1 700769360 ACNGXGHJMGCBSZ-NXEZZACHSA-N 228.336 2.029 0 30 BEAC C[C@@](CN)(CC(=O)O)c1ccc(Cl)cc1 85114013 PJRWPVIBQFGSFZ-NSHDSACASA-N 227.691 2.031 0 30 BEAC CC(C)(C)OC(=O)N1C[C@H](O)C2(CCCC2)C1 307156826 GJSRKVQVCXMLIM-JTQLQIEISA-N 241.331 2.158 0 30 BEAC CC(=O)Oc1ccccc1CC(=O)C(F)(F)F 197166463 ZSEQIBDHGNGNSP-UHFFFAOYSA-N 246.184 2.286 0 30 BEAC CC(C)[C@H](C(=O)O)[C@H](C)NC(=O)OC(C)(C)C 238793525 LZBYZAYOBAYHGM-IUCAKERBSA-N 245.319 2.256 0 30 BEAC COc1cccc([C@@H](C)[C@@H]2CCNC2)c1 70627883 FEWXZMIVEAKPBV-ZYHUDNBSSA-N 205.301 2.408 0 30 BEAC Cc1c(C(=O)O)c(C)n(C)c1Br 211710335 GSRPDVUGDIOHIR-UHFFFAOYSA-N 232.077 2.103 0 30 BEAC CC(C)[C@@H]1CC(=O)CN1Cc1ccccc1 685939325 WYLPOMVDDGPWIQ-AWEZNQCLSA-N 217.312 2.486 0 30 BEAC Brc1cccc(NC2COC2)c1 84696665 XLZSRWMYTXALJH-UHFFFAOYSA-N 228.089 2.260 0 30 BEAC Cc1cc(C(F)(F)F)c(CN)c(C)n1 95642093 DGXKTCFSAIHPDN-UHFFFAOYSA-N 204.195 2.176 0 30 BEAC CCOC(=O)c1sc(C(=O)O)c(C)c1C 117926420 DKDHTAMTIISWJX-UHFFFAOYSA-N 228.269 2.240 0 30 BEAC CC(=O)c1ccc(-n2cnc(C)c2C)nc1 124691125 OZRWAHLDXCWZHH-UHFFFAOYSA-N 215.256 2.087 0 30 BEAC O=C(OCc1ccccc1)c1cnco1 225146510 DUKHWMFWRUFJRB-UHFFFAOYSA-N 203.197 2.032 0 30 BEAC CC(C)(C)OC(=O)N1CC=C(C(=O)O)CCC1 685945580 ABILYSVBAFRDCE-UHFFFAOYSA-N 241.287 2.028 0 30 BEAC CN(C)/C=C1\SC(=O)N(c2ccccc2)C1=O 12341824 VDVWOIQDIASKLD-NTMALXAHSA-N 248.307 2.289 0 30 BEAC CN(C)c1cccc(-c2ncc(CN)s2)c1 382723660 OXJFNCUUXMDKMT-UHFFFAOYSA-N 233.340 2.335 0 30 BEAC COC(=O)C(=CN(C)C)c1c[nH]c2ccccc12 12338420 BMPHBTGCNQOMHH-UHFFFAOYSA-N 244.294 2.243 0 30 BEAC CCCC(=O)C=C1c2ccccc2C(=O)N1C 12338524 VPZVIOAYNCUYAP-UHFFFAOYSA-N 229.279 2.482 0 30 BEAC CO[C@](C)(CN)c1cc(Cl)ccc1F 83264854 JBBBIAAXIVWWGV-SNVBAGLBSA-N 217.671 2.299 0 30 BEAC Brc1ncn2ccsc12 84236024 ZBBPDHZTQRZZGT-UHFFFAOYSA-N 203.064 2.158 0 30 BEAC CC(C)(C)OC(=O)N1Cc2c[nH]nc2C2(CC2)C1 95803945 MDHVKAOJGYWVCQ-UHFFFAOYSA-N 249.314 2.192 0 30 BEAC CCOC(=O)[C@@H]1CCC(C)(C)CCC1=O 207041365 ZIINFZGNQPAVTH-SECBINFHSA-N 212.289 2.335 0 30 BEAC Cc1cc(-c2cc(C)[n+](C)c(C)c2)cc(C)[n+]1C 34123424 GCJVBHWAMIADIH-UHFFFAOYSA-N 242.366 2.236 0 30 BEAC O=C(Cc1ccsc1)Nc1cccc(CO)c1 37975045 QKSUJKJCMDHODJ-UHFFFAOYSA-N 247.319 2.422 0 30 BEAC O=C(O)[C@@H]1CCN1[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2 2265291703 VPBLOJFGPORKQA-ZUDIRPEPSA-N 235.327 2.114 0 30 BEAC CN[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 86401495 BAMKOIDUXZSDIE-UWVGGRQHSA-N 228.336 2.042 0 30 BEAC Oc1cc(-c2ccccc2)nc2ccnn12 100311670 WTXZHEFXYVLIDI-UHFFFAOYSA-N 211.224 2.102 0 30 BEAC CC[C@@H](C)OC(=O)C(C)C(=O)O[C@H](C)CC 143165035 ABPVWWMYGHRRLR-RKDXNWHRSA-N 230.304 2.306 0 30 BEAC CCOC(=O)c1cncn1-c1ccccc1 34305727 AGUSAFUHEBAQJN-UHFFFAOYSA-N 216.240 2.049 0 30 BEAC c1ccc(-c2cn(C3CCNCC3)cn2)cc1 82656523 RGAFXEOPVNUDMQ-UHFFFAOYSA-N 227.311 2.475 0 30 BEAC in-vitro COc1cc([C@@H](C)N)ccc1Br 83593111 TZPQBWQYEUMEGL-ZCFIWIBFSA-N 230.105 2.477 0 30 BEAC CC(C)(C)OC(=O)N1CC(=O)CCC1(C)C 259183309 OSXYWCDUZJABRB-UHFFFAOYSA-N 227.304 2.365 0 30 BEAC O=C(O)C12CC(c3ccc(F)cc3)(C1)C2 585164717 LNZNWYLJIJZKBY-UHFFFAOYSA-N 206.216 2.332 0 30 BEAC CC(C)(C)OC(=O)NC[C@@]1(CN)CC12CCC2 1535646086 UHCOEIGKSCQQPS-ZDUSSCGKSA-N 240.347 2.030 0 30 BEAC O=C1O[C@H]2CCCC[C@H]2C1(Cl)Cl 38633316 HZOSGSRPCDQQKW-RITPCOANSA-N 209.072 2.276 0 30 BEAC C[C@H](c1ccccc1)c1cc(C(=O)O)n[nH]1 136668264 ZFQFUEWIACTWNQ-MRVPVSSYSA-N 216.240 2.260 0 30 BEAC O=C1CCC[C@H]2SCCCS[C@H]12 238790167 AHKUISCJVXNXML-RKDXNWHRSA-N 202.344 2.347 0 30 BEAC CNCC1=CN(C(=O)OC(C)(C)C)CCC1 1532500225 KFPODGQUXLWHFY-UHFFFAOYSA-N 226.320 2.121 0 30 BEAC CSc1nc(-c2ccccc2)cc(=O)n1C 1511448 PCZRLUJUGWVYHT-UHFFFAOYSA-N 232.308 2.169 0 30 BEAC CC[C@H](OC(=O)CC(=O)O)c1ccc(C)cc1 1853124 DXFANIGIQOZRMR-NSHDSACASA-N 236.267 2.464 0 30 BEAC CCCc1cccc(Cl)c1OC[C@H](O)CO 5844765 WBEXQMNCOCWOMJ-SNVBAGLBSA-N 244.718 2.025 0 30 BEAC Brc1nnc(CC2CC2)s1 71051818 YLXFPIWLAWPFIO-UHFFFAOYSA-N 219.107 2.253 0 30 BEAC CC1(C)[C@H]2CC[C@@]1(C)[C@@H](N1CCNCC1)C2 215756053 IICWXHFZZQZANF-OBJOEFQTSA-N 222.376 2.106 0 30 BEAC C[C@@H]1CCO[C@H]([C@@H]2[C@H](C(=O)O)C2(C)C)C1 308938768 DMJMOLKIANIRIN-UTINFBMNSA-N 212.289 2.158 0 30 BEAC CCn1c([C@@H](O)c2ccccc2)n[nH]c1=S 85192 LSTGRRLDDJXRDC-VIFPVBQESA-N 235.312 2.042 0 30 BEAC CC1(c2ccc(Br)cc2)CNC1 71532730 LNHGFXXOSYLMAF-UHFFFAOYSA-N 226.117 2.310 0 30 BEAC O[C@@H]1COCc2ccc(Br)cc21 95932893 NUQIXXRSWGBNBJ-SECBINFHSA-N 229.073 2.013 0 30 BEAC Cc1cc(NC(=O)C(C)(C)C)ncc1C=O 309384251 AJGSJMIAFJEBDN-UHFFFAOYSA-N 220.272 2.187 0 30 BEAC CCCCCC[C@@H](C)OC(=O)[C@@H]1CCC(=O)N1 33986529 MVSOKKKPBUGRQS-MNOVXSKESA-N 241.331 2.167 0 30 BEAC CN(Cc1ccccc1)[C@@H](CN)C(F)(F)F 37169496 NWQGMUAFARXZRD-JTQLQIEISA-N 232.249 2.008 0 30 BEAC CCCCCOB1O[C@@H](C)C[C@H](C)O1 195772049 UFPFSELYFQQVMK-UWVGGRQHSA-N 200.087 2.392 0 30 BEAC C[C@H]1CN[C@H](C)CN(Cc2ccccc2)C1 221297800 DETLUDPEYAOXOK-QWHCGFSZSA-N 218.344 2.116 0 30 BEAC Cc1cc(N)c(Br)nc1C 238556282 UDEJDHHSZGOBGI-UHFFFAOYSA-N 201.067 2.043 0 30 BEAC Fc1c(Br)ccc2c1OCCNC2 725710876 RXISHNJBWZBAAS-UHFFFAOYSA-N 246.079 2.070 0 30 BEAC COc1cc(CC(=O)O)cc(C(C)C)c1 2005592 QNAQRLMGXWACIL-UHFFFAOYSA-N 208.257 2.446 0 30 BEAC CCOc1cc([C@H]2C[C@H](C)CN2)ccc1O 3705294 JJSWTYULFULIFV-GXSJLCMTSA-N 221.300 2.461 0 30 BEAC CC(=O)c1ccc(N2C[C@H](C)O[C@H](C)C2)c(N)c1 12339044 FMUUOIILUAMXTO-AOOOYVTPSA-N 248.326 2.085 0 30 BEAC O[C@H]1CCCCN(Cc2ccccc2)C1 148250449 KPQNKWPCOMTRHO-ZDUSSCGKSA-N 205.301 2.033 0 30 BEAC Cc1csc([C@@H]2[C@@H](C(=O)O)C2(C)C)n1 301040008 YVKCGYGRAZVTBB-BQBZGAKWSA-N 211.286 2.276 0 30 BEAC CC1CCC([C@@](O)(CN)C(F)(F)F)CC1 675052513 FUPPIOLUTXIVIJ-HACHORDNSA-N 225.254 2.065 0 30 BEAC Nc1ccc2c(c1Br)CCC[C@@H]2O 1565503750 KQMRZHXJCQUDIC-VIFPVBQESA-N 242.116 2.401 0 30 BEAC CC1(N)COC(c2ccc(Cl)cc2)OC1 2018126 BZYJWUQKCNWTLG-UHFFFAOYSA-N 227.691 2.103 0 30 BEAC C[C@H]1CCCN(CCN2CCC[C@H](C)C2)C1 19365619 YAFHICXFCISWPA-KBPBESRZSA-N 224.392 2.450 0 30 BEAC CCOC(=O)/C=C/c1ccc(C2OCCO2)cc1 21983900 VADRLXFAHGEPRE-VMPITWQZSA-N 248.278 2.308 0 30 BEAC COC(=O)c1cc(F)c(OC)cc1Cl 34409084 OWHOIUUHJWCGCF-UHFFFAOYSA-N 218.611 2.274 0 30 BEAC CC[C@@H](O)c1cc(OC)c(OC)cc1OC 34444773 NHBUFOXGCPTIOH-SECBINFHSA-N 226.272 2.156 0 30 BEAC Cc1ccnc(NCc2cccc(C(=O)O)c2)n1 61858492 MDJFNGBAXBUZFB-UHFFFAOYSA-N 243.266 2.095 0 30 BEAC in-vitro Cn1c(Br)cnc1C(F)(F)F 82349718 OKMBQAWMQVQEID-UHFFFAOYSA-N 228.999 2.201 0 30 BEAC COC(=O)CC(=O)c1ccc(Cl)cc1F 145899537 ACYGMNSOWSCAJT-UHFFFAOYSA-N 230.622 2.225 0 30 BEAC COC(=O)c1scc(C)c1NC(=S)OC 82715 VLXSYWHIVQOISU-UHFFFAOYSA-N 245.325 2.186 0 30 BEAC C=CC(=O)NCc1ccc(-c2csnn2)cc1 106572 BAUVDQRPCWSSGF-UHFFFAOYSA-N 245.307 2.007 0 30 BEAC NCCn1ccc2c(Br)cccc21 59731312 BUGXKILNEZQGPX-UHFFFAOYSA-N 239.116 2.363 0 30 BEAC Cc1c(Br)ccc(O)c1C(=O)O 113210282 AJXOCFKDIBBTJK-UHFFFAOYSA-N 231.045 2.161 0 30 BEAC Nc1ccc2c(c1)CN(c1ccccc1)C2=O 148273719 WIJFUNLZFLQSAY-UHFFFAOYSA-N 224.263 2.429 0 30 BEAC OCc1ccc(-c2ccc(F)cc2)nc1 39927641 HRJSEQHITGOQTP-UHFFFAOYSA-N 203.216 2.380 0 30 BEAC C[Si](C)(C)N1CCN([Si](C)(C)C)CC1 195995054 LGJYHRWFWYQPEB-UHFFFAOYSA-N 230.504 2.274 0 30 BEAC FC(F)(F)Oc1ccc(-c2cn[nH]n2)cc1 199101897 YETURJKQGJAINS-UHFFFAOYSA-N 229.161 2.370 0 30 BEAC N[C@H]1CCCc2cc(C(F)(F)F)cnc21 238585319 UZAYANMBHQDMGS-QMMMGPOBSA-N 216.206 2.437 0 30 BEAC Oc1cc(Br)cc([C@@H]2CCNC2)c1 84549286 VAJSLOUPAULHAV-SSDOTTSWSA-N 242.116 2.232 0 30 BEAC CN[C@@H](Cc1ccc(F)cc1)c1ncc[nH]1 87341247 VHRJUONIMNFSSW-NSHDSACASA-N 219.263 2.052 0 30 BEAC CN(Cc1ccccc1)[C@H](CN)C(F)(F)F 37169497 NWQGMUAFARXZRD-SNVBAGLBSA-N 232.249 2.008 0 30 BEAC Nc1ccn(-c2ccccc2C(F)(F)F)n1 51692485 RLZJNTKBEUHHOL-UHFFFAOYSA-N 227.189 2.473 0 30 BEAC CCOC(=O)c1nc(N)sc1C(C)(C)C 95756470 DMURGDABYIUUTO-UHFFFAOYSA-N 228.317 2.200 0 30 BEAC Fc1ccc(-n2cnc(Br)n2)cc1 117290845 BXDJOYGNKVVADL-UHFFFAOYSA-N 242.051 2.169 0 30 BEAC CC[C@H]1CCN(C(=O)OC(C)(C)C)CC1=O 146798238 NZOQOABMCRMKJZ-VIFPVBQESA-N 227.304 2.223 0 30 BEAC NCc1ccc2ccc(Br)nc2c1 257942080 CEVLXZSKVAOEKL-UHFFFAOYSA-N 237.100 2.456 0 30 BEAC CCOC(=O)c1ncn2ccc(Cl)cc12 261061882 PETOTUPLKPZUTB-UHFFFAOYSA-N 224.647 2.164 0 30 BEAC OCCOCCNc1cccc2ccccc12 5162908 LKDJOSCYSCYSJE-UHFFFAOYSA-N 231.295 2.261 0 30 BEAC CC(C)C(=O)O[C@H]([C@@H](C)CO)C(C)(C)C 5359094 YXISVHDWGVMPGJ-VHSXEESVSA-N 216.321 2.229 0 30 BEAC N[C@H]1c2ccccc2CC[C@H]1N1CCCC1 20260085 PMDGVUJWHYIPGG-KGLIPLIRSA-N 216.328 2.097 0 30 BEAC C[C@H]1CCO[C@H](COc2ccccc2)O1 38648050 ACCCAQVFLWDUTB-JQWIXIFHSA-N 208.257 2.217 0 30 BEAC OCc1c(F)c(F)c(F)c(Cl)c1F 86862925 NVCPZBVRLBQWDL-UHFFFAOYSA-N 214.545 2.389 0 30 BEAC CO[C@@H](CN)c1ccc(F)c(C(F)(F)F)c1 132441451 LKVJTSFJMXRHLC-VIFPVBQESA-N 237.196 2.491 0 30 BEAC COC(=O)C1(C)CCN(Cc2ccccc2)CC1 147214559 BDRRROVAVJZJPC-UHFFFAOYSA-N 247.338 2.462 0 30 BEAC c1ccc([C@@H]2NCC23CCOCC3)cc1 328579608 QXAJILBHGRNHBN-LBPRGKRZSA-N 203.285 2.128 0 30 BEAC COc1cc([S@](=O)O)ccc1C(F)(F)F 2265383711 VSBMARRKFDPYGG-UHFFFAOYSA-N 240.202 2.295 0 30 BEAC COC(=O)c1ccc2onc(Cl)c2c1 216658608 OBVPNGIPKWUCHI-UHFFFAOYSA-N 211.604 2.268 0 30 BEAC in-vitro COc1cc(C(F)(F)F)c(F)cc1N 306659851 PMIPSKHBKPFLGK-UHFFFAOYSA-N 209.142 2.435 0 30 BEAC N=C(NO)c1ccsc1C(F)(F)F 584880283 WLRPHGBVBBKAHI-UHFFFAOYSA-N 210.180 2.071 0 30 BEAC