smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C[C@@H](O)CN(C)S(=O)(=O)CBr 127424263 YQSWHRJFLBOASH-RXMQYKEDSA-N 246.126 -0.019 50 50 BBGA CCCCNC(=O)c1cccc(B(O)O)c1 169745493 UMTGJEHDHSYNMS-UHFFFAOYSA-N 221.065 -0.104 50 50 BBGA in-vitro COc1cc(B(O)O)cc(Cl)c1O 169746604 MHYWXPHADPZFNA-UHFFFAOYSA-N 202.402 -0.266 50 50 BBGA in-vitro CC(=O)OCC(=O)N(N)c1ncccn1 757129011 SFFNYPLXDITJJF-UHFFFAOYSA-N 210.193 -0.754 50 50 BBGA CN(C)C(=O)c1cc(Cl)cc(B(O)O)c1 169746468 CBWMBTZDVFPIKS-UHFFFAOYSA-N 227.456 -0.278 50 50 BBGA in-vitro COc1cc(B(O)O)c(C(F)(F)F)cn1 238445412 UDNBNQGACHQFFS-UHFFFAOYSA-N 220.943 -0.211 50 50 BBGA CC(C)CNC(=S)NNC(=O)C[C@@H](C)O 13519438 FVUFKPFFLVNTHY-SSDOTTSWSA-N 233.337 -0.091 50 50 BBGA CCCC(=O)NNC(=O)CCC(=O)O 8569383 MUMZZPMUHVZWLI-UHFFFAOYSA-N 202.210 -0.201 50 50 BBGA O=C(O)c1cc(B(O)O)ccc1Cl 169745167 RHIXAJHFXGTSAL-UHFFFAOYSA-N 200.386 -0.282 50 50 BBGA in-vitro O=C(O)c1cc(F)c(F)c(B(O)O)c1 216700513 LPIWMNPBZLPGJH-UHFFFAOYSA-N 201.921 -0.657 50 50 BBGA O=C(CCl)N[C@@H]1C[C@H](O)[C@H]1n1cccn1 1875375970 KXLHCBHWZLXGEF-FJXKBIBVSA-N 229.667 -0.088 50 50 BBGA CN(C)CCOc1cccc(B(O)O)c1 197957987 IXTFOKNUWHUDNC-UHFFFAOYSA-N 209.054 -0.693 50 50 BBGA CC(C)(C)OC(=O)Nc1ncc(B(O)O)cn1 169745267 IOLSSXXMDVLBHF-UHFFFAOYSA-N 239.040 -0.497 50 50 BBGA in-vitro CC(=O)C(C)(C)[C@@]1(C#N)C(=O)NC(N)=C1C#N 257540331 CPULBMJIBAULGH-LLVKDONJSA-N 232.243 -0.065 50 50 BBGA NC(=O)[C@H](NC(=O)CCl)c1ccccn1 1875374651 BRIFSADGBPEROH-MRVPVSSYSA-N 227.651 -0.037 50 50 BBGA OB(O)c1cc(F)ncc1Br 261507465 IWGTTXYOGWRRDV-UHFFFAOYSA-N 219.806 -0.337 50 50 BBGA Cc1nnc(-c2ccc(B(O)O)cc2)o1 169745467 SPSKFVHUUJWUPB-UHFFFAOYSA-N 203.994 -0.275 50 50 BBGA in-vitro O=C(NC1CC1)c1ccc(F)c(B(O)O)c1 169746398 YKVYXPNIWCYXCI-UHFFFAOYSA-N 223.012 -0.602 50 50 BBGA COc1nc(C)c(Cl)cc1B(O)O 216700704 CYQRZZIAQDQBHW-UHFFFAOYSA-N 201.418 -0.268 50 50 BBGA NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 12138161 GXKUFHXQPDLDQA-ZETCQYMHSA-N 223.232 -0.382 50 50 BBGA Cc1nn(C(=O)OC(C)(C)C)cc1B(O)O 170002753 GVPMWXBBOYRYAA-UHFFFAOYSA-N 226.041 -0.345 50 50 BBGA C[C@H](Cl)C(=O)NCCn1ncnn1 308226235 DWDNABNRSKJGRJ-YFKPBYRVSA-N 203.633 -0.583 50 50 BBGA O=C(CCl)N[C@@H]1CCS(=O)(=O)C1 3866164 NMYROJFXBFTDBK-RXMQYKEDSA-N 211.670 -0.472 50 50 BBGA in-vitro CC(C)NNC(=O)C(=O)NNC(C)C 138330946 XXNHVLQHTCOFFI-UHFFFAOYSA-N 202.258 -0.955 50 50 BBGA CC(=O)Oc1cc(B(O)O)ccc1[N+](=O)[O-] 169955222 CAISZGJPVMSOQB-UHFFFAOYSA-N 224.965 -0.800 50 50 BBGA NC(=O)[C@@H](NC(=O)CCl)c1ccccn1 1875374652 BRIFSADGBPEROH-QMMMGPOBSA-N 227.651 -0.037 50 50 BBGA O=C(c1cccc(B(O)O)c1)N1CCCCC1 169745413 XFTARKGZGNWJJT-UHFFFAOYSA-N 233.076 -0.008 50 50 BBGA in-vitro CN(C[C@H](O)CCl)S(=O)(=O)O 2522333 QYCCIVDFILYJMF-SCSAIBSYSA-N 203.647 -0.679 50 50 BBGA C[C@H](Cl)C(=O)N[C@]1(C(N)=O)CCCOC1 1875377928 RMVREFDRDOSJND-IMTBSYHQSA-N 234.683 -0.236 50 50 BBGA CCNC(=S)NNC(=O)C(C)(C)O 5979480 NNJGAAFVPBCDLV-UHFFFAOYSA-N 205.283 -0.728 50 50 BBGA CCCNC(=O)c1ccc(F)c(B(O)O)c1 169743934 UTFWGDUSGXDUNF-UHFFFAOYSA-N 225.028 -0.355 50 50 BBGA OB(O)c1cc(Cl)cc(N2CCOCC2)c1 1772572493 MAZUNVIATKBXQC-UHFFFAOYSA-N 241.483 -0.144 50 50 BBGA CN1C[C@H](Br)C(=O)NC1=O 160410 XFSLGQCCNDHVAV-VKHMYHEASA-N 207.027 -0.069 50 50 BBGA biogenic CN(C)Cc1ccc([N+](=O)[O-])cc1B(O)O 169745651 MMPDPMGUOBVIPN-UHFFFAOYSA-N 224.025 -0.664 50 50 BBGA O=C(c1cncc(B(O)O)c1)C(F)(F)F 169969281 CDXOOLIZHDAJLF-UHFFFAOYSA-N 218.927 -0.494 50 50 BBGA OB(O)c1cc(F)cc(CN2CCOCC2)c1 211710887 NNIUSYOUUIDNCX-UHFFFAOYSA-N 239.055 -0.662 50 50 BBGA C[C@H](c1ccc(B(O)O)cc1)N1CCNCC1 230543065 FCAQKVAYTHWRNP-SNVBAGLBSA-N 234.108 -0.667 50 50 BBGA O=C(O)c1cc(B(O)O)cc(Cl)c1F 1772572502 TTZMSCCKEFBCGG-UHFFFAOYSA-N 218.376 -0.143 50 50 BBGA O=C1OC(=O)[C@@H]2C3C=CC([C@H]12)[C@@H]1C(=O)OC(=O)[C@H]31 169289752 XLOGCGOPKPCECW-JTWBLDFWSA-N 248.190 -0.566 50 50 BBGA in-vitro Cn1ncc(B(O)O)c1-c1ccccc1 230548152 NBRBMOLQILZVPM-UHFFFAOYSA-N 202.022 -0.233 50 50 BBGA CC(C)CNC(=O)c1cc(F)cc(B(O)O)c1 169744417 VCHBPOMUCMYGCC-UHFFFAOYSA-N 239.055 -0.109 50 50 BBGA OB(O)c1ccccc1CN1CCCC1 169794662 PHKRRMUMVOCZGZ-UHFFFAOYSA-N 205.066 -0.038 50 50 BBGA in-vitro CCNC(=O)c1ccc(F)c(B(O)O)c1 169745068 QJQODUQVWPKFJI-UHFFFAOYSA-N 211.001 -0.745 50 50 BBGA C[C@H](Cl)C(=O)NCCC[Si](O)(O)O 675072520 IILQMZUZRWKMMW-YFKPBYRVSA-N 227.720 -0.964 50 50 BBGA CC(C)COc1cc(B(O)O)c(F)cn1 228983958 IPSXMAOCFHSEOF-UHFFFAOYSA-N 213.017 -0.065 50 50 BBGA CO[C@H](C(=O)O)c1ccc(B(O)O)cc1 2325903871 DQNVTEOSEYCFLS-QMMMGPOBSA-N 209.994 -0.862 50 50 BBGA Cc1cc([N+](=O)[O-])nn1CCCC(=O)NN 95630525 XAVFMQZAQHNTPZ-UHFFFAOYSA-N 227.224 -0.130 50 50 BBGA Nc1ccc(C(F)(F)F)cc1B(O)O 169746793 GBIGUIVUUCIHGT-UHFFFAOYSA-N 204.944 -0.033 50 50 BBGA in-vitro NC(=O)c1ccc(OC(F)(F)F)c(B(O)O)c1 169955207 PIVJPVFPITTYSD-UHFFFAOYSA-N 248.953 -0.636 50 50 BBGA COc1ccc(B(O)O)c(C2OCCO2)c1 230542679 LOUGDFYMXUHUSC-UHFFFAOYSA-N 224.021 -0.580 50 50 BBGA N#CCCNC(=O)c1ccc(B(O)O)cc1 169745491 QIZJQVHZGULPAE-UHFFFAOYSA-N 218.021 -0.990 50 50 BBGA in-vitro CN(C)C(=O)c1ccc(B(O)O)cc1Cl 169745139 FRYXYHGYFIBOQR-UHFFFAOYSA-N 227.456 -0.278 50 50 BBGA in-vitro CCOC(=O)c1ccc(OC)c(B(O)O)c1 169747937 NNQFBMDJWJUGQO-UHFFFAOYSA-N 224.021 -0.448 50 50 BBGA Cc1cc(=O)oc2ccc(B(O)O)cc12 390835879 HJAXSNNRAKDXAZ-UHFFFAOYSA-N 203.990 -0.219 50 50 BBGA O=[N+]([O-])c1ccc(Cl)c(B(O)O)c1 169745466 KNFHCUNPMBSLRK-UHFFFAOYSA-N 201.374 -0.072 50 50 BBGA CCOC(=O)CCc1cc(B(O)O)cs1 217045303 LOYGEFNBXXZWAF-UHFFFAOYSA-N 228.078 -0.076 50 50 BBGA O=C(NCCCl)C(=O)NCCCl 1736110 MUAULJMMFLVLHM-UHFFFAOYSA-N 213.064 -0.304 50 50 BBGA in-vitro O=C1OC(=O)[C@@H]2[C@@H]1[C@@H]1C=C[C@H]2[C@@H]2C(=O)OC(=O)[C@H]12 239433276 XLOGCGOPKPCECW-LXTFHKNLSA-N 248.190 -0.566 50 50 BBGA in-vitro CCCCNC(=O)c1cc(N)cc(B(O)O)c1 169978042 MTIYULWWNCFIGQ-UHFFFAOYSA-N 236.080 -0.522 50 50 BBGA NNC(=O)CS(=O)(=O)c1ccccc1F 67172801 KHULBPIWPMCVKH-UHFFFAOYSA-N 232.236 -0.411 50 50 BBGA Cn1cc(Br)c(C(=O)NN)n1 1019011 JINYGSMERXPQMD-UHFFFAOYSA-N 219.042 -0.214 50 50 BBGA CC1(C)Oc2ccc(B(O)O)cc2NC1=O 382743357 YXCLOMVQWARTIR-UHFFFAOYSA-N 221.021 -0.524 50 50 BBGA CCN1CCN(Cc2ccc(B(O)O)cc2)CC1 199014193 POHAFGQAIGIQLG-UHFFFAOYSA-N 248.135 -0.496 50 50 BBGA CN1CCN(Cc2ccc(B(O)O)cc2)CC1 169919705 JWRMKWKJAQFZKF-UHFFFAOYSA-N 234.108 -0.886 50 50 BBGA in-vitro CCN(CC)C(=O)c1ccc(B(O)O)cn1 169989565 YTYDHNSBMXYLFK-UHFFFAOYSA-N 222.053 -0.757 50 50 BBGA C=CCOc1nccc(B(O)O)c1Cl 169964727 CNPGUURWDPSOMO-UHFFFAOYSA-N 213.429 -0.020 50 50 BBGA NNC(=O)CCCCCCCC(=O)NN 1602852 ZWLFGLCGZUVIEA-UHFFFAOYSA-N 216.285 -0.303 50 50 BBGA CC(C)S(=O)(=O)c1cccc(B(O)O)c1 169909863 DGXSDARQWGOCEY-UHFFFAOYSA-N 228.078 -0.452 50 50 BBGA CN(C)CCCOc1cccc(B(O)O)c1 228684438 KNIINTVXVDDEBW-UHFFFAOYSA-N 223.081 -0.303 50 50 BBGA O=[N+]([O-])c1cc(F)c(F)c(B(O)O)c1 169745388 AARSYRVYLRWEBG-UHFFFAOYSA-N 202.909 -0.447 50 50 BBGA in-vitro O=C(Nc1cccc(B(O)O)c1)C(F)(F)F 169745135 NCOITLDGNKHMSB-UHFFFAOYSA-N 232.954 -0.133 50 50 BBGA CO[Si](CCCNC(N)=O)(OC)OC 169746951 LVACOMKKELLCHJ-UHFFFAOYSA-N 222.317 -0.077 50 50 BBGA in-vitro COCCCNC(=O)c1cccc(B(O)O)c1 169808840 MICYHWLTBQBPRM-UHFFFAOYSA-N 237.064 -0.867 50 50 BBGA in-vitro CCN(CC)C(=O)c1ccc(F)c(B(O)O)c1 169745359 NTSWNBMMPRHGHE-UHFFFAOYSA-N 239.055 -0.013 50 50 BBGA CCCC(=O)N(N)[C@@H]1CCS(=O)(=O)C1 757127559 LQTSXTHIBZEARV-SSDOTTSWSA-N 220.294 -0.324 50 50 BBGA COCC(=O)NNC(=S)NC[C@@H]1CCCO1 5041187 LSDZHZHQNDFDCD-ZETCQYMHSA-N 247.320 -0.693 50 50 BBGA CS(=O)(=O)Cc1ccc(B(O)O)c(F)c1 170017365 YBEHWASMGRWGNV-UHFFFAOYSA-N 232.041 -0.950 50 50 BBGA COC(=O)c1c(C)cc(B(O)O)cc1C 169917549 PZRQLKHCAJPJDQ-UHFFFAOYSA-N 208.022 -0.230 50 50 BBGA in-vitro NNC(=O)c1[nH]ncc1Br 4243757 NXJOKWGPTXRZCB-UHFFFAOYSA-N 205.015 -0.224 50 50 BBGA COc1cc(B(O)O)cc(OC)c1OC 169743278 RULQUTYJXDLRFL-UHFFFAOYSA-N 212.010 -0.608 50 50 BBGA in-vitro Cc1ccn(-c2ccc(B(O)O)cc2)n1 170001414 FLFQNUUSPJLLCM-UHFFFAOYSA-N 202.022 -0.139 50 50 BBGA COC(=O)c1cc(OC)c(F)c(B(O)O)c1 170019506 UZLYXUVXRFWYQL-UHFFFAOYSA-N 227.984 -0.699 50 50 BBGA NC(=O)C(=O)NNC(=O)Nc1ccc(F)cc1 3086062 XRSATBOWWKZQFQ-UHFFFAOYSA-N 240.194 -0.536 50 50 BBGA CCN(CC)C(=O)c1ccc(B(O)O)c(F)c1 169744532 DNLSLUZRDMSBDI-UHFFFAOYSA-N 239.055 -0.013 50 50 BBGA CN(C)[C@@H](C#N)c1ccccc1B(O)O 170001273 JAFKMWZXWBBDCG-JTQLQIEISA-N 204.038 -0.507 50 50 BBGA NC(=O)NN[C@H]1CC(=O)N(c2ccccc2)C1=O 100610545 IHXCMJVHJZOEAH-QMMMGPOBSA-N 248.242 -0.509 50 50 BBGA C=CCNC(=O)c1ccc(B(O)O)cc1 169745420 WZVRLQMDCATRNQ-UHFFFAOYSA-N 205.022 -0.718 50 50 BBGA in-vitro COc1cc(Cl)c(B(O)O)cc1C(=O)O 169746573 PTFZFTUJDUZSLR-UHFFFAOYSA-N 230.412 -0.273 50 50 BBGA in-vitro CN(C)C(=O)c1ccc(B(O)O)c(F)c1 169744647 IOTCMPCBVDPZTB-UHFFFAOYSA-N 211.001 -0.793 50 50 BBGA CC1CCN(c2ccc(B(O)O)cn2)CC1 170001346 ITRXSDCTBWEMAS-UHFFFAOYSA-N 220.081 -0.002 50 50 BBGA COc1ncc(Br)cc1B(O)O 169745479 KIMPFSRSIJTVLK-UHFFFAOYSA-N 231.842 -0.468 50 50 BBGA in-vitro Cc1cc(S(C)(=O)=O)ccc1B(O)O 170001546 KOAZGNLBMZEAMC-UHFFFAOYSA-N 214.051 -0.922 50 50 BBGA OB(O)c1ccc([C@@H]2NCCS2)cc1 169744788 JXWCKTPGUFGAKU-SECBINFHSA-N 209.079 -0.299 50 50 BBGA CC[C@H](C(=O)NN)n1cc([N+](=O)[O-])cn1 2537634 BZSQGGHCPRDMRH-ZCFIWIBFSA-N 213.197 -0.268 50 50 BBGA COc1ccc(F)c(B(O)O)c1[N+](=O)[O-] 169978122 GAKAWZITZBEOCP-UHFFFAOYSA-N 214.945 -0.578 50 50 BBGA CCS(=O)(=O)Nc1cccc(B(O)O)c1 169903929 UODGYEZPCAFKEA-UHFFFAOYSA-N 229.066 -0.872 50 50 BBGA in-vitro OB(O)c1ccc(F)cc1CN1CCOCC1 230526835 HPYVXAYATXZDHL-UHFFFAOYSA-N 239.055 -0.662 50 50 BBGA Cn1c(=O)[nH]c(=O)c2c1ncn2CCCl 181244 BVELTQAHMSSWFZ-UHFFFAOYSA-N 228.639 -0.338 50 50 BBGA Cc1nn(CCC(=O)NN)c(C)c1[N+](=O)[O-] 374001 BCABNIRNBURSJH-UHFFFAOYSA-N 227.224 -0.212 50 50 BBGA Cc1c(B(O)O)cccc1S(C)(=O)=O 224682160 QOMZNEHQVPYMTH-UHFFFAOYSA-N 214.051 -0.922 50 50 BBGA COC(=O)c1ccc(OC)c(B(O)O)c1 169806829 YMNSQEWMBIZWOA-UHFFFAOYSA-N 209.994 -0.838 50 50 BBGA in-vitro COCCOc1cc(B(O)O)ccc1C 169951565 RPXGOHWCGGBAKR-UHFFFAOYSA-N 210.038 -0.300 50 50 BBGA NC(=O)[C@@H](Cl)CS(=O)(=O)CCCl 2680204 WUDNKFBHYNFQAK-BYPYZUCNSA-N 234.104 -0.267 50 50 BBGA Cc1cc(C)n2nc(C(=O)NN)nc2c1 64038097 HHPBRLMLJWPRHK-UHFFFAOYSA-N 205.221 -0.050 50 50 BBGA CC(C)S(=O)(=O)c1ccc(B(O)O)cc1 169745571 IGJLXIUSOMMUIV-UHFFFAOYSA-N 228.078 -0.452 50 50 BBGA in-vitro C[C@@H](Cl)C(=O)N[C@]1(C(N)=O)CCCOC1 1875377927 RMVREFDRDOSJND-HZGVNTEJSA-N 234.683 -0.236 50 50 BBGA NNC(=O)Cn1cc(Cl)c([N+](=O)[O-])n1 2538892 BOHVWNHJGCEYNF-UHFFFAOYSA-N 219.588 -0.565 50 50 BBGA OB(O)c1cc(CN2CCOCC2)ccc1F 197861740 IAANUHQAUPDWNK-UHFFFAOYSA-N 239.055 -0.662 50 50 BBGA O=C(CCl)NCc1ccc(=O)[nH]n1 307476568 LIUOAFRDGZWMDB-UHFFFAOYSA-N 201.613 -0.375 50 50 BBGA OB(O)c1ccnc(Br)c1 169743527 DFIKFQMGZNTFLI-UHFFFAOYSA-N 201.816 -0.476 50 50 BBGA COc1nc(C(F)(F)F)ccc1B(O)O 206042794 RBIFHAWLTLCJFB-UHFFFAOYSA-N 220.943 -0.211 50 50 BBGA in-vitro Cc1ccn(-c2cccc(B(O)O)n2)n1 169968723 KBLSUERMTWWNCZ-UHFFFAOYSA-N 203.010 -0.744 50 50 BBGA COc1ccccc1NC(=O)C(=O)NN 1995004 DLDJHRZFVLNKPJ-UHFFFAOYSA-N 209.205 -0.376 50 50 BBGA Cc1cnc(Br)c(B(O)O)c1 169810500 FIQQCWZNBDBURU-UHFFFAOYSA-N 215.843 -0.168 50 50 BBGA OB(O)c1cncc(OC2CCOCC2)c1 169966406 LPIQAYCWHTUVJQ-UHFFFAOYSA-N 223.037 -0.681 50 50 BBGA in-vitro CNC(=S)NNC(=O)c1ccncc1 5566414 LUNYRIVCWOGWDT-UHFFFAOYSA-N 210.262 -0.180 50 50 BBGA O=C(NCCCCl)c1cccc(B(O)O)c1 169745319 VTJIILRCPRVUHJ-UHFFFAOYSA-N 241.483 -0.275 50 50 BBGA in-vitro Cn1c(=O)c2c(ncn2CCCl)n(C)c1=O 999 QCIARNIKNKKHFH-UHFFFAOYSA-N 242.666 -0.328 50 50 BBGA biogenic,in-vitro CCS(=O)(=O)c1ccccc1B(O)O 169794697 GNCPGKLAKBQXAU-UHFFFAOYSA-N 214.051 -0.840 50 50 BBGA COc1ccc(B(O)O)cc1CN(C)C 169907071 PFYXGWXCQOINNY-UHFFFAOYSA-N 209.054 -0.563 50 50 BBGA in-vitro COCCNC(=S)NNC(=O)C1CC1 2350093 GRXKUCBWTPOFDV-UHFFFAOYSA-N 217.294 -0.462 50 50 BBGA OB(O)c1ccc(F)c(N2CCOCC2)c1 230544607 SZSMQSHSRZQGDJ-UHFFFAOYSA-N 225.028 -0.658 50 50 BBGA CN(C)c1cc(B(O)O)cc(F)c1F 230539530 HZEROLXETCMMPO-UHFFFAOYSA-N 200.981 -0.289 50 50 BBGA CC(C)OC(=O)c1cccc(B(O)O)c1 169745526 HXVODQWMURGQMP-UHFFFAOYSA-N 208.022 -0.068 50 50 BBGA in-vitro CSc1nnc2ccc(B(O)O)cn12 170001011 CGIVBNNWDWFIKV-UHFFFAOYSA-N 209.039 -0.869 50 50 BBGA CC(=O)n1ncc2c(B(O)O)cccc21 716783495 FUQIXQCAEUGQJA-UHFFFAOYSA-N 203.994 -0.624 50 50 BBGA NNC(=O)CNS(=O)(=O)c1ccc(F)cc1 1388270 QDBYMTZZJCKJPE-UHFFFAOYSA-N 247.251 -0.906 50 50 BBGA CCOc1ncc(B(O)O)cc1Cl 169745241 PRZRXDHALIHUBT-UHFFFAOYSA-N 201.418 -0.187 50 50 BBGA COc1ccc(-n2cc(B(O)O)c(C)n2)cc1 170001870 LNQBZPCTZPDQLC-UHFFFAOYSA-N 232.048 -0.131 50 50 BBGA COC(=O)CCC(=O)OC(=O)CCC(=O)OC 101021996 HVJPTZGMOVPTAM-UHFFFAOYSA-N 246.215 -0.037 50 50 BBGA CN1CCC2(CC1)C(C#N)=C(N)Nc1nncn12 585145668 VAYJVWNYYCMEFU-UHFFFAOYSA-N 245.290 -0.182 50 50 BBGA Cn1c2c(c(=O)n(C)c1=O)N[C@@H](Cl)N2 19877763 OGPLFGGRRJMNIJ-ZCFIWIBFSA-N 216.628 -0.556 50 50 BBGA CCOC(=O)C1(c2ccc(B(O)O)cc2)CC1 203855624 IGXGGWGUOKCYGS-UHFFFAOYSA-N 234.060 -0.039 50 50 BBGA CC(C)(C)NC(=O)c1cncc(B(O)O)c1 169745091 FOJHBAIYLMKAIB-UHFFFAOYSA-N 222.053 -0.710 50 50 BBGA in-vitro CC(C)(C)OC(=O)NCc1ccc(B(O)O)o1 169746233 CBDGXXNRURJOEV-UHFFFAOYSA-N 241.052 -0.016 50 50 BBGA OB(O)c1ccc(CN2CCSCC2)cc1 169926289 VDMPAGMAGZPHSO-UHFFFAOYSA-N 237.133 -0.085 50 50 BBGA in-vitro O=C(O)C1(c2ccc(B(O)O)cc2F)CC1 169964763 ZLVIHPPSVIXBSY-UHFFFAOYSA-N 223.996 -0.378 50 50 BBGA C[C@@H](C(=O)NN)S(=O)(=O)c1ccccc1 4290651 PBEHFANEAMNSRJ-ZETCQYMHSA-N 228.273 -0.161 50 50 BBGA COc1ccc(OC)c(B(O)O)c1OC 169745701 PBJYOPCURLYSAG-UHFFFAOYSA-N 212.010 -0.608 50 50 BBGA in-vitro CC(C)(C(=O)O)c1ccc(B(O)O)cc1 169746258 QAMVLOFDQNAZOP-UHFFFAOYSA-N 208.022 -0.271 50 50 BBGA CCN(C)C(=O)c1ccc(B(O)O)cc1 169745514 AWXVNEUNYSIXAD-UHFFFAOYSA-N 207.038 -0.542 50 50 BBGA in-vitro CC(=O)NC[C@H]1CN(C(=O)CCl)CCO1 1319785506 FGHABCDLUKMBFO-QMMMGPOBSA-N 234.683 -0.411 50 50 BBGA CC(=O)OCC(=O)N(N)CC(F)(F)F 757127263 KCWBROXRGKWSFW-UHFFFAOYSA-N 214.143 -0.186 50 50 BBGA C[C@@H](Cl)C(=O)NCCN1C(=O)CNC1=O 1875364216 JUQOMYQCOVPIRH-RXMQYKEDSA-N 233.655 -0.718 50 50 BBGA CCNC(=S)NNC(=O)c1cc(C)nn1C 2749514 DOHJUJPHPXIONX-UHFFFAOYSA-N 241.320 -0.143 50 50 BBGA O=C1C[C@H](N(C(=O)CCl)C2CC2)C(=O)N1 1253962988 HFOCEKQXVNCBAV-LURJTMIESA-N 230.651 -0.369 50 50 BBGA CO[C@@H](C(=O)O)c1ccc(B(O)O)cc1 2325903870 DQNVTEOSEYCFLS-MRVPVSSYSA-N 209.994 -0.862 50 50 BBGA COCCCOc1ccc(B(O)O)cc1 169929562 WYIXRPIOLPCEBP-UHFFFAOYSA-N 210.038 -0.218 50 50 BBGA in-vitro NNC(=O)[C@]1(c2ccccc2)CCCNC1=O 71773166 QMVDSOSAASIEKA-LBPRGKRZSA-N 233.271 -0.176 50 50 BBGA CNC(=S)NNC(=O)[C@@H](O)c1ccccc1 5914114 RJDIPPYSFHIVQS-QMMMGPOBSA-N 239.300 -0.155 50 50 BBGA CC(C)(C(=O)O)c1cccc(B(O)O)c1 169746264 VASYXSHADMRQTM-UHFFFAOYSA-N 208.022 -0.271 50 50 BBGA in-vitro CCCCn1nnc2cc(C#N)cc(B(O)O)c21 170001832 HHEIACGBHLXWLI-UHFFFAOYSA-N 244.063 -0.217 50 50 BBGA CN(CC(=O)NN)C(=O)OC(C)(C)C 67425341 VQWBYKYBNLFIPX-UHFFFAOYSA-N 203.242 -0.157 50 50 BBGA in-vitro Cc1nn([C@@H]2CCCCO2)c(C)c1B(O)O 169905098 YOFFBMDCMBAWSH-VIFPVBQESA-N 224.069 -0.121 50 50 BBGA in-vitro CCCOc1c(C=O)cc(C=O)cc1B(O)O 169746451 OSVFOHHYFMQYRN-UHFFFAOYSA-N 236.032 -0.220 50 50 BBGA in-vitro CC(C)N1C(=O)C[C@H](NC(=O)CCl)C1=O 1319674601 QOEFXMKPWJOEHD-LURJTMIESA-N 232.667 -0.123 50 50 BBGA O=C(O)CCC(=O)NNC(=O)c1ccncc1 2366043 WVYWIVZMXIVOBQ-UHFFFAOYSA-N 237.215 -0.293 50 50 BBGA biogenic NNC(=O)[C@@]1(c2ccccc2)CCCNC1=O 71773165 QMVDSOSAASIEKA-GFCCVEGCSA-N 233.271 -0.176 50 50 BBGA COCCCOc1cccc(B(O)O)c1 202078218 OBGYXFCMWBEEPP-UHFFFAOYSA-N 210.038 -0.218 50 50 BBGA OB(O)c1cccc(N2CCOCC2)c1 169744798 OHGOMHOEZUWGOH-UHFFFAOYSA-N 207.038 -0.797 50 50 BBGA in-vitro CCNC(=O)c1ccc(B(O)O)cc1Cl 169745667 HJDYETAQUCUPFP-UHFFFAOYSA-N 227.456 -0.231 50 50 BBGA in-vitro N#CSCc1cnnn1-c1nonc1N 6657980 NSYAYMHPLVVBEM-UHFFFAOYSA-N 223.221 -0.053 50 50 BBGA OB(O)c1ccc(Br)cn1 169873827 DTEZDGLOEZASOA-UHFFFAOYSA-N 201.816 -0.476 50 50 BBGA NNC(=O)Cc1ccc(N2C(=O)C=CC2=O)cc1 1420823 LVCRRPOBKJECNL-UHFFFAOYSA-N 245.238 -0.352 50 50 BBGA C[C@@H](c1ccc(B(O)O)cc1)N1CCNCC1 230543100 FCAQKVAYTHWRNP-JTQLQIEISA-N 234.108 -0.667 50 50 BBGA O=C1OC(=O)[C@@H]2[C@@H]1C[C@H]1C(=O)OC(=O)[C@H]12 139882120 NLWBEORDOPDUPM-KKQCNMDGSA-N 210.141 -0.978 50 50 BBGA in-vitro NNC(=O)Cc1ccc(-n2cnnn2)cc1 2534379 WDNMZSRTZZEGLS-UHFFFAOYSA-N 218.220 -0.805 50 50 BBGA Cc1nn(C)cc1-c1cc(C(=O)NN)no1 2538863 YJRXSTNFWXECBU-UHFFFAOYSA-N 221.220 -0.013 50 50 BBGA Cc1c([N+](=O)[O-])cnn1CCC(=O)NN 2549495 RHMGFCCFVCWWLB-UHFFFAOYSA-N 213.197 -0.520 50 50 BBGA CCN(CC)C(=O)c1cccc(B(O)O)c1 169745072 DDHUSSNOKNYLAI-UHFFFAOYSA-N 221.065 -0.152 50 50 BBGA in-vitro O=C1OC(=O)[C@@H]2[C@@H]1C[C@@H]1C(=O)OC(=O)[C@H]12 105111931 NLWBEORDOPDUPM-QMKXCQHVSA-N 210.141 -0.978 50 50 BBGA in-vitro Cn1nccc1[C@@H](CO)NC(=O)CCl 1875366079 JUJUDWFEDPFYJX-ZCFIWIBFSA-N 217.656 -0.192 50 50 BBGA CCCNC(=O)c1ccc(B(O)O)cc1F 169744242 ZAQISMKPCBHVHR-UHFFFAOYSA-N 225.028 -0.355 50 50 BBGA in-vitro Cc1nn([C@H](C)C(=O)NN)cc1[N+](=O)[O-] 2549506 ROUYCFUPMQOKSR-RXMQYKEDSA-N 213.197 -0.349 50 50 BBGA Cc1nnnn1CCNC(=O)[C@@H](C)Cl 1875377584 HZMOMSWDYWZGON-RXMQYKEDSA-N 217.660 -0.275 50 50 BBGA COC(=O)c1cc(B(O)O)c(F)cc1Cl 196404730 XKBKUIKMZBFWFF-UHFFFAOYSA-N 232.403 -0.055 50 50 BBGA NNC(=O)Cc1n[nH]c(-c2cccnc2)n1 26463311 IVPQJMSEYVSRSX-UHFFFAOYSA-N 218.220 -0.601 50 50 BBGA O=C(NC1CC1)c1ccc(B(O)O)cc1Cl 169745598 TUPWHDSMIIRKLY-UHFFFAOYSA-N 239.467 -0.088 50 50 BBGA in-vitro CCn1cnc2cc(C#N)cc(B(O)O)c21 170001596 NFHWZFVWTOLQJG-UHFFFAOYSA-N 215.021 -0.392 50 50 BBGA CC(=O)NC[C@@H]1CN(C(=O)CCl)CCO1 1319785505 FGHABCDLUKMBFO-MRVPVSSYSA-N 234.683 -0.411 50 50 BBGA NN(C(=O)C1CCC1)[C@H]1CCS(=O)(=O)C1 757129415 WPLZWIUDYCLZQP-QMMMGPOBSA-N 232.305 -0.324 50 50 BBGA COC(=O)c1ccc(B(O)O)cc1[N+](=O)[O-] 169747183 NLNDQDNATQPFEC-UHFFFAOYSA-N 224.965 -0.939 50 50 BBGA in-vitro O=C(Nc1cccc(B(O)O)c1)C1CC1 203714143 DGXXULNJZFCUEP-UHFFFAOYSA-N 205.022 -0.285 50 50 BBGA CN(C[C@@H]1CCC(=O)N1)C(=O)CCl 1875367326 YEZWSBLNXMQHRS-LURJTMIESA-N 204.657 -0.038 50 50 BBGA O=S(=O)(CC1CC1)c1ccc(B(O)O)cc1 169904954 DZBUTJPNUVQODY-UHFFFAOYSA-N 240.089 -0.450 50 50 BBGA in-vitro CCOC(=O)c1ccc(B(O)O)cc1F 169745444 CXSPPZZTTSHTMP-UHFFFAOYSA-N 211.985 -0.318 50 50 BBGA in-vitro COC(=O)c1cc(NC(C)=O)cc(B(O)O)c1 170010516 QZHAMNSNXSJPQI-UHFFFAOYSA-N 237.020 -0.889 50 50 BBGA NC(=O)[C@H](Cl)CS(=O)(=O)CCCl 2680205 WUDNKFBHYNFQAK-SCSAIBSYSA-N 234.104 -0.267 50 50 BBGA CC(C)CNC(=S)NNC(=O)C[C@H](C)O 13519443 FVUFKPFFLVNTHY-ZETCQYMHSA-N 233.337 -0.091 50 50 BBGA N#CSc1nc2nc(N)[nH]c(=O)c2[nH]1 117334797 XMNYVEUNOUNDRW-UHFFFAOYSA-N 208.206 -0.198 50 50 BBGA NNC(=O)Cc1n[nH]c(Cc2ccccc2)n1 1775973812 YZSOXZKFFBGDSM-UHFFFAOYSA-N 231.259 -0.072 50 50 BBGA COc1ccc(B(O)O)c(OC)c1OC 169746998 LDQLSQRFSNMANA-UHFFFAOYSA-N 212.010 -0.608 50 50 BBGA in-vitro CC(=O)O[C@H]1CS(=O)(=O)C[C@@H]1Cl 1722834 RTTWIOWKOBUYCF-WDSKDSINSA-N 212.654 -0.046 50 50 BBGA Cc1cccc(OCC(=O)NCC(=O)NN)c1 4679687 VTUYIYOFSSWUSS-UHFFFAOYSA-N 237.259 -0.520 50 50 BBGA O=C(NCC(F)(F)F)c1ccc(B(O)O)cc1 169743956 CYGVESRZZZTBOI-UHFFFAOYSA-N 246.981 -0.342 50 50 BBGA COc1cc(OC)c(C=O)c(B(O)O)c1 169978068 CEDOKIIRVBABOG-UHFFFAOYSA-N 209.994 -0.804 50 50 BBGA COc1ccc(-c2ncncc2B(O)O)cc1 170001767 ZDXXRMJKFCYUFJ-UHFFFAOYSA-N 230.032 -0.168 50 50 BBGA NNC(=O)Cn1cc(Br)cn1 2537560 AYSGIDVQQCCAIS-UHFFFAOYSA-N 219.042 -0.365 50 50 BBGA CCN(CC)C(=O)c1ccc(B(O)O)cc1 169744979 ZCGVBHIMRVYWOH-UHFFFAOYSA-N 221.065 -0.152 50 50 BBGA in-vitro COC(=O)c1cc(B(O)O)cc([N+](=O)[O-])c1 169745626 CDGIRLKQNJXHBJ-UHFFFAOYSA-N 224.965 -0.939 50 50 BBGA in-vitro C[C@H](Cl)C(=O)N[C@@H]1COC[C@@H]1n1ccnn1 1875375821 JEPCGONNFOMUHT-RNJXMRFFSA-N 244.682 -0.039 50 50 BBGA OB(O)c1cc(OC(F)(F)F)ccc1O 169994697 KZPLYVRPYPBPSQ-UHFFFAOYSA-N 221.927 -0.029 50 50 BBGA in-vitro COc1ccc2cc(B(O)O)ccc2n1 170002775 JAHPYOBVPRULLO-UHFFFAOYSA-N 203.006 -0.077 50 50 BBGA O=C(O)c1cc(Cl)c(B(O)O)cc1C(=O)O 616568006 VWSOOANMQSLEJW-UHFFFAOYSA-N 244.395 -0.584 50 50 BBGA OB(O)c1cccc(OC[C@@H]2CCCO2)c1 169922497 XHBQGDCQKFEOMC-NSHDSACASA-N 222.049 -0.076 50 50 BBGA CCNC(=O)c1cccc(B(O)O)c1F 169744698 PYZVYEMGZXJMGM-UHFFFAOYSA-N 211.001 -0.745 50 50 BBGA CC(C)(C)OC(=O)n1cc(B(O)O)cn1 169745290 IUEPVMMFUSDDBJ-UHFFFAOYSA-N 212.014 -0.654 50 50 BBGA O=[N+]([O-])c1cc(Cl)cc(B(O)O)c1 206079116 CSUPQFYEDMNCDD-UHFFFAOYSA-N 201.374 -0.072 50 50 BBGA CCOc1ccc(B(O)O)cc1[N+](=O)[O-] 238272859 AUSOKALEXXGIGM-UHFFFAOYSA-N 210.982 -0.327 50 50 BBGA C=C(C)C(=O)N(N)[C@H]1CCS(=O)(=O)C1 757129638 XZHZBGVHZQHCEX-ZETCQYMHSA-N 218.278 -0.548 50 50 BBGA COC(=O)c1ccc(/C=N/NC(=O)CO)cc1 439134 DMZWTYZYSOHLQB-WUXMJOGZSA-N 236.227 -0.084 50 50 BBGA NNC(=O)CCn1cc(Cl)c([N+](=O)[O-])n1 2549518 LAFJREVKGVWAPX-UHFFFAOYSA-N 233.615 -0.175 50 50 BBGA Cc1cc(N2CCCC2)ncc1B(O)O 230542934 HCZWVJXYHXWRPQ-UHFFFAOYSA-N 206.054 -0.330 50 50 BBGA C[C@@H](c1ccc(B(O)O)cc1)N1CCN(C)CC1 230541201 GKJJUVULSZUPLG-NSHDSACASA-N 248.135 -0.325 50 50 BBGA NNC(=O)c1nnn(Cc2ccccc2)c1N 1350777 NOIGRTLRFHCZFU-UHFFFAOYSA-N 232.247 -0.488 50 50 BBGA O[B-](O)(O)c1cccc(C(F)(F)F)n1 203621480 AXANTPGDFMGILC-UHFFFAOYSA-N 207.924 -0.777 50 50 BBGA CS(=O)(=O)N1CC(C(=O)CCl)C1 1857786637 VKDCKBBVAVZPDF-UHFFFAOYSA-N 211.670 -0.314 50 50 BBGA CCN(CC)C(=O)N(N)[C@H]1CCS(=O)(=O)C1 757129344 VQXQFYGVFLQPBT-QMMMGPOBSA-N 249.336 -0.189 50 50 BBGA O=[N+]([O-])c1cc(B(O)O)cc(F)c1F 169747440 NUMAMIBIFPKICQ-UHFFFAOYSA-N 202.909 -0.447 50 50 BBGA in-vitro COCCOc1cc(B(O)O)c(F)cc1F 169934907 ABIKFFVGTOUYOU-UHFFFAOYSA-N 231.991 -0.330 50 50 BBGA O=C(O)c1ccc(F)c(F)c1B(O)O 216699685 CPTUBAZQYZDBRU-UHFFFAOYSA-N 201.921 -0.657 50 50 BBGA Cc1nn([C@@H](C)C(=O)NN)c(C)c1[N+](=O)[O-] 2755759 WQYUEHWAJSESGA-LURJTMIESA-N 227.224 -0.041 50 50 BBGA OB(O)c1cccnc1Br 169744897 ODWRFKJNUJLAHM-UHFFFAOYSA-N 201.816 -0.476 50 50 BBGA in-vitro OB(O)c1ccccc1OC[C@H]1CCOC1 169926447 PVWGIVALWGYJIB-VIFPVBQESA-N 222.049 -0.218 50 50 BBGA in-vitro COC(=O)n1c(B(O)O)cc2ccccc21 169991638 BYSPSIQMPUCCRP-UHFFFAOYSA-N 219.005 -0.064 50 50 BBGA in-vitro CN(C)C(=O)c1ccc(Cl)c(B(O)O)c1 169744321 LVOHUMGEBQAIBQ-UHFFFAOYSA-N 227.456 -0.278 50 50 BBGA C=CCNC(=S)NNC(=O)COC 6145417 NMKGABOJCGFXQA-UHFFFAOYSA-N 203.267 -0.686 50 50 BBGA CC(C)Oc1c(C=O)cc(C=O)cc1B(O)O 169746450 MZTOPIAFLPHQPO-UHFFFAOYSA-N 236.032 -0.221 50 50 BBGA in-vitro CC1CCN(c2ncccc2B(O)O)CC1 230524993 JXEPQMQBOVZZMP-UHFFFAOYSA-N 220.081 -0.002 50 50 BBGA CC1CCN(c2cccc(B(O)O)n2)CC1 169968847 RRKLGORIKSNVSO-UHFFFAOYSA-N 220.081 -0.002 50 50 BBGA CCNS(=O)(=O)CCNC(=O)[C@@H](C)Cl 218351057 PGDZPJWXLCOZIM-ZCFIWIBFSA-N 242.728 -0.331 50 50 BBGA C[C@H](Br)C(=O)N[C@@H](CO)C(=O)O 1575455 FZCUZRSQHFPZKG-IMJSIDKUSA-N 240.053 -0.669 50 50 BBGA in-vitro O=C(NC1CC1)c1ccc(Cl)c(B(O)O)c1 169744296 ZXCSFHNBVHLHBP-UHFFFAOYSA-N 239.467 -0.088 50 50 BBGA C[Si](C)(C)CCOCn1nccc1B(O)O 169904619 UEDFWLZMMDKEDO-UHFFFAOYSA-N 242.160 -0.125 50 50 BBGA O=C(c1cc(F)cc(B(O)O)c1)N1CCCC1 169744316 XPUNUDDGDYAOFL-UHFFFAOYSA-N 237.039 -0.259 50 50 BBGA O=C(O)c1ccc(B(O)O)c(Cl)c1 169745343 FYDHSNLXZRGWFU-UHFFFAOYSA-N 200.386 -0.282 50 50 BBGA CN1CC[C@H](CNC(=O)CCl)C1=O 1875367009 KBBNJNGCLMJCIN-ZCFIWIBFSA-N 204.657 -0.180 50 50 BBGA OB(O)c1cc2c(cc1Cl)OCO2 170001115 QNZQIXCZUTZVOO-UHFFFAOYSA-N 200.386 -0.252 50 50 BBGA COC(=O)N(N)[C@@H]1CCS(=O)(=O)C1 757127327 KDVBOBRILNXYLW-RXMQYKEDSA-N 208.239 -0.884 50 50 BBGA COCOc1c(C)cc(B(O)O)cc1C 169748198 STZJZCMYEFOIIR-UHFFFAOYSA-N 210.038 -0.034 50 50 BBGA in-vitro COC(=O)c1sc(B(O)O)cc1C 169933935 NRPWDFPOXWSQEO-UHFFFAOYSA-N 200.024 -0.477 50 50 BBGA in-vitro OB(O)c1cccnc1OCC(F)(F)F 169746560 IEXZQXIMOMPBOM-UHFFFAOYSA-N 220.943 -0.298 50 50 BBGA in-vitro O=C(CCl)NCCNC(=O)CCl 1681326 BQUBHNCENTUVMP-UHFFFAOYSA-N 213.064 -0.304 50 50 BBGA in-vitro Cc1nn(CC(=O)NN)cc1Br 2549478 JUELVQGTNAJFHW-UHFFFAOYSA-N 233.069 -0.056 50 50 BBGA Cc1ccc(S(C)(=O)=O)c(B(O)O)c1 170001591 XWAULAXFWHUMBM-UHFFFAOYSA-N 214.051 -0.922 50 50 BBGA CC(C)(C)C(=O)Nc1ccc(B(O)O)cn1 169794312 UMNSJQDICLTXBG-UHFFFAOYSA-N 222.053 -0.254 50 50 BBGA in-vitro O=C(c1cccc(B(O)O)c1)N1CCCC1 169744973 SXTMJRKRWYTPLI-UHFFFAOYSA-N 219.049 -0.398 50 50 BBGA in-vitro OB(O)c1ccc(C(F)(F)F)nc1F 169746665 JLKCXRRPVZUFJB-UHFFFAOYSA-N 208.907 -0.081 50 50 BBGA NC(=S)NNC(=O)c1ccccc1C(=O)O 143642 KPSPJRDTOGNICU-UHFFFAOYSA-N 239.256 -0.137 50 50 BBGA CCOC(=O)c1cc(N)cc(B(O)O)c1 169887983 KOMOLAWDZYJJSX-UHFFFAOYSA-N 209.010 -0.875 50 50 BBGA in-vitro CN(C)C(=O)c1cccc(B(O)O)c1F 169747370 ICJWWRWLFPUVJI-UHFFFAOYSA-N 211.001 -0.793 50 50 BBGA in-vitro O=C(NC[C@H]1CCCO1)c1cccc(B(O)O)c1 169905111 OBHSWJBFUUNHJE-LLVKDONJSA-N 249.075 -0.725 50 50 BBGA in-vitro COCCCOCc1ccc(B(O)O)cc1 203169967 FNFKWQNYHBYRMW-UHFFFAOYSA-N 224.065 -0.081 50 50 BBGA CCOC(=O)c1ccc(B(O)O)c(F)c1 169744643 HBXIRLABZXFDAX-UHFFFAOYSA-N 211.985 -0.318 50 50 BBGA COc1ccc2ccc(B(O)O)cc2n1 238375360 ZOEAYIXACPMADZ-UHFFFAOYSA-N 203.006 -0.077 50 50 BBGA CCOC(=O)c1ccc(B(O)O)c([N+](=O)[O-])c1 169745600 GCDAYMSNTGTFDC-UHFFFAOYSA-N 238.992 -0.549 50 50 BBGA C[C@@H](NC(=O)c1ccccc1)C(=O)NN 35756 JVBBUSGKRYKFPM-SSDOTTSWSA-N 207.233 -0.205 50 50 BBGA Cc1cc([N+](=O)[O-])nn1C[C@@H](C)C(=O)NN 2732033 SBEMNWTXVUTGGV-RXMQYKEDSA-N 227.224 -0.274 50 50 BBGA O=Cc1cc(B(O)O)c(F)cc1Cl 238616540 OOTMYKBNPFCNBY-UHFFFAOYSA-N 202.377 -0.029 50 50 BBGA Cn1c(NC(=O)CCl)cc(=O)n(C)c1=O 1287285 HMSZMICYINCVMI-UHFFFAOYSA-N 231.639 -0.739 50 50 BBGA NNC(=O)CCNC(=O)c1ccccc1 2676385 CVNLFXKHHAOTBP-UHFFFAOYSA-N 207.233 -0.204 50 50 BBGA CCn1c(C)nc2cc(C#N)cc(B(O)O)c21 170001917 BEYJRABGARKSHO-UHFFFAOYSA-N 229.048 -0.084 50 50 BBGA N[C@H](CSSC[C@H](N)C(=O)O)C(=O)O 1529198 LEVWYRKDKASIDU-ZXZARUISSA-N 240.306 -0.808 50 50 BBGA endogenous,in-vitro NNC(=O)c1c(O)c2cccc3c2n(c1=O)CC3 100212263 RFRLXPMDOYOICE-UHFFFAOYSA-N 245.238 -0.133 50 50 BBGA biogenic O=C(O)c1cc(B(O)O)c(Cl)cc1F 169746224 VDGDGSCIDRLTGU-UHFFFAOYSA-N 218.376 -0.143 50 50 BBGA in-vitro C[C@@H](NC(=O)C(=O)NN)c1ccccc1 1695252 UQXPGBTUPFWHEF-SSDOTTSWSA-N 207.233 -0.146 50 50 BBGA biogenic,in-vitro CCOC(=O)c1ccc(B(O)O)c(N)c1 169808979 JMXVNLRIPXPJRG-UHFFFAOYSA-N 209.010 -0.875 50 50 BBGA O=C(N/N=C\c1ccccn1)c1ccc(=O)[nH]n1 4853011 QVFDRESQFNDHST-QPEQYQDCSA-N 243.226 -0.071 50 50 BBGA Cc1nnnn1CCNC(=O)[C@H](C)Cl 1875377585 HZMOMSWDYWZGON-YFKPBYRVSA-N 217.660 -0.275 50 50 BBGA COCCCOc1ccc(C=O)cc1B(O)O 169978114 ZUYLMZUXUKNMPZ-UHFFFAOYSA-N 238.048 -0.406 50 50 BBGA OB(O)c1ccc(N2CCOCC2)cc1Cl 170001378 NZHYQLUYOAZSAH-UHFFFAOYSA-N 241.483 -0.144 50 50 BBGA O=C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 169745635 AIAPQNNEMPKYKZ-UHFFFAOYSA-N 247.059 -0.829 50 50 BBGA in-vitro OB(O)c1ccc(OCC2CC2)nc1F 169934470 QZXOFLPDQHQLFF-UHFFFAOYSA-N 211.001 -0.311 50 50 BBGA CCCn1nnc2cc(B(O)O)c(F)cc21 170001423 ZSCJTROCDTYARA-UHFFFAOYSA-N 223.016 -0.340 50 50 BBGA CCCNC(=O)c1cc(N)cc(B(O)O)c1 169978039 OEFLANAAXKMEPF-UHFFFAOYSA-N 222.053 -0.912 50 50 BBGA O=[N+]([O-])c1c(F)ccc(B(O)O)c1F 307424580 DMWWELGNEMKCIM-UHFFFAOYSA-N 202.909 -0.447 50 50 BBGA NNC(=O)Cn1ncc2ccccc2c1=O 1441477 APJLGFPKFHSASL-UHFFFAOYSA-N 218.216 -0.614 50 50 BBGA OB(O)c1cc(F)cc(N2CCOCC2)c1 169746539 LZZMZSFQBPERPZ-UHFFFAOYSA-N 225.028 -0.658 50 50 BBGA in-vitro CC(C)C(=O)Nc1cccc(B(O)O)c1 169743950 HXBVOKMSEWLCKA-UHFFFAOYSA-N 207.038 -0.039 50 50 BBGA in-vitro CNNC(=O)CNC(=O)OC(C)(C)C 39093218 FJAFNYWCVQFPDU-UHFFFAOYSA-N 203.242 -0.238 50 50 BBGA CC(=O)NCCc1ccc(B(O)O)cc1 169746008 MASBKHYFMNIEKU-UHFFFAOYSA-N 207.038 -0.955 50 50 BBGA in-vitro OB(O)c1cccc2c1OC(F)(F)O2 169807953 GCIIKWAIWSFGLA-UHFFFAOYSA-N 201.921 -0.312 50 50 BBGA in-vitro CC(=O)OCC(=O)N(N)C1CCOCC1 757132656 VQUIQRSMCOMOGP-UHFFFAOYSA-N 216.237 -0.569 50 50 BBGA NC(=S)NNC(=O)COc1ccccc1O 17724824 VVEBLRHASZHXCI-UHFFFAOYSA-N 241.272 -0.365 50 50 BBGA N#Cc1c(B(O)O)cccc1N1CCOCC1 170001573 SFKIRAOVXDRSKD-UHFFFAOYSA-N 232.048 -0.925 50 50 BBGA CC(=O)[C@@H]1C(=O)OC(=O)[C@H](C(C)=O)C1=O 100732074 QXEVSCSWJUZNSA-OLQVQODUSA-N 212.157 -0.951 50 50 BBGA OB(O)c1cnn(-c2ccccc2F)c1 169968878 XDGWEPJKYLLPLB-UHFFFAOYSA-N 205.985 -0.309 50 50 BBGA COC(=O)c1cc(OC)cc(B(O)O)c1 170002674 OFUYEZFEGZXILY-UHFFFAOYSA-N 209.994 -0.838 50 50 BBGA O=C1OC(=O)[C@@H]2[C@@H]1C[C@H]1C(=O)OC(=O)[C@@H]12 100069460 NLWBEORDOPDUPM-YPVPKEFPSA-N 210.141 -0.978 50 50 BBGA in-vitro CCNC(=O)c1cc(B(O)O)cc([N+](=O)[O-])c1 169745351 FWBAGEDRZQWROK-UHFFFAOYSA-N 238.008 -0.976 50 50 BBGA in-vitro COc1cc(B(O)O)ccc1N1CCOCC1 250670025 UCXBEBDWDXBCJU-UHFFFAOYSA-N 237.064 -0.788 50 50 BBGA O=C1C[C@@H](NC(=O)c2ccco2)C(=O)O1 101684433 SCOIVWFJLAQRNW-RXMQYKEDSA-N 209.157 -0.149 50 50 BBGA OB(O)c1cc(Br)cnc1F 169746810 YAXKWQSQZIVTFC-UHFFFAOYSA-N 219.806 -0.337 50 50 BBGA in-vitro O=S1(=O)C[C@H](O)[C@@H](Br)C1 1083854 JUROXLRSVVHUOG-IMJSIDKUSA-N 215.068 -0.461 50 50 BBGA in-vitro O=[N+]([O-])c1c(F)cc(F)cc1B(O)O 169745645 QSDKRMBLAFJYCE-UHFFFAOYSA-N 202.909 -0.447 50 50 BBGA in-vitro CCCS(=O)(=O)c1ccccc1B(O)O 170001394 ZNNZCMIFELJURP-UHFFFAOYSA-N 228.078 -0.450 50 50 BBGA COC(=O)c1cc2cc(B(O)O)ccc2[nH]1 169916585 CCQSNIWHVJIPJQ-UHFFFAOYSA-N 219.005 -0.366 50 50 BBGA COc1c(F)c(C)cc(B(O)O)c1F 169955518 HKTDWUVVLJFRCK-UHFFFAOYSA-N 201.965 -0.038 50 50 BBGA CN(C)CCCOc1ccc(B(O)O)cc1 196957011 ADGDUQZATZNZJH-UHFFFAOYSA-N 223.081 -0.303 50 50 BBGA CCCC(=O)NCc1ccc(B(O)O)cc1 405013184 ZFZFBSKNXRIJHX-UHFFFAOYSA-N 221.065 -0.217 50 50 BBGA O=[S@@](c1ccc(B(O)O)cc1)C1CC1 169905008 UVAFNQYMJVLTNA-AWEZNQCLSA-N 210.063 -0.364 50 50 BBGA in-vitro CN1CC[C@@H](CNC(=O)CCl)C1=O 1875367008 KBBNJNGCLMJCIN-LURJTMIESA-N 204.657 -0.180 50 50 BBGA NNC(=O)CN1CCN(Cc2ccccc2)CC1 19795636 HPORNZWVEBQIOT-UHFFFAOYSA-N 248.330 -0.206 50 50 BBGA COC(=O)c1cc(Cl)ccc1B(O)O 170010343 CVYLRXWWSGNWHX-UHFFFAOYSA-N 214.413 -0.194 50 50 BBGA OB(O)c1cnc(OCc2ccccc2)nc1 169904844 CYHDQODLSLRGRH-UHFFFAOYSA-N 230.032 -0.265 50 50 BBGA in-vitro OB(O)c1cnc(Cl)nc1C(F)(F)F 170001455 MFJUYWGTWPTQGF-UHFFFAOYSA-N 226.350 -0.171 50 50 BBGA NNC(=O)c1ncc(Br)cn1 114865537 DJXSDXNXYBHKPH-UHFFFAOYSA-N 217.026 -0.157 50 50 BBGA O=C(NC1CC1)c1ccc(B(O)O)c(F)c1 169744561 KUWDYUDHKUBVRQ-UHFFFAOYSA-N 223.012 -0.602 50 50 BBGA OB(O)c1ccc(OCCn2ccnc2)cc1 169746491 YRNCSPFXUDNRCS-UHFFFAOYSA-N 232.048 -0.358 50 50 BBGA in-vitro CC(C)CNC(=O)c1ccc(B(O)O)cc1F 169744098 CICXJBMCRZOMIG-UHFFFAOYSA-N 239.055 -0.109 50 50 BBGA O=C(O)c1ccc(Cl)c(B(O)O)c1 169744847 ZITWKFSVFMUWIE-UHFFFAOYSA-N 200.386 -0.282 50 50 BBGA O=C(c1ccc(B(O)O)cc1)N1CCCCC1 169745316 PUXUKRSBJVVKMD-UHFFFAOYSA-N 233.076 -0.008 50 50 BBGA in-vitro OB(O)c1ccc(I)cc1 169743261 PELJYVULHLKXFF-UHFFFAOYSA-N 247.828 -0.029 50 50 BBGA in-vitro OB(O)c1cncc(Br)c1 169743772 ICCGFOKNFZWCTJ-UHFFFAOYSA-N 201.816 -0.476 50 50 BBGA in-vitro NNC(=O)c1n[nH]c(=O)c2ccccc12 13638672 GCZPFBAKQFXQER-UHFFFAOYSA-N 204.189 -0.473 50 50 BBGA in-vitro COCCOc1c(F)c(C)cc(B(O)O)c1F 169955163 OTOAXXZPZLXKSG-UHFFFAOYSA-N 246.018 -0.022 50 50 BBGA O=C1NC[C@@H]2[C@H]1CCCN2C(=O)CCl 232280717 ZUBJKAMRBSWOKO-RNFRBKRXSA-N 216.668 -0.038 50 50 BBGA CC(C)NC(=O)c1ccc(B(O)O)cc1 169745614 GBCSEYKTZAKRMT-UHFFFAOYSA-N 207.038 -0.495 50 50 BBGA in-vitro COc1ccc(B(O)O)c(-n2cccn2)c1 169794718 HNIWENQDOKNTLY-UHFFFAOYSA-N 218.021 -0.439 50 50 BBGA in-vitro CN(C)[C@H](C#N)c1ccccc1B(O)O 170001271 JAFKMWZXWBBDCG-SNVBAGLBSA-N 204.038 -0.507 50 50 BBGA CC(C)C(=O)N(N)[C@@H]1CCS(=O)(=O)C1 757125797 BIYMYGWBASXLDW-SSDOTTSWSA-N 220.294 -0.468 50 50 BBGA C[C@@H](Cl)C(=O)NC[C@@H]1COC(=O)N1 1875376131 MZZJORXTSLOWMC-RFZPGFLSSA-N 206.629 -0.162 50 50 BBGA COc1cccc(-c2ncncc2B(O)O)c1 170001763 MOIMJVCMZDZIAV-UHFFFAOYSA-N 230.032 -0.168 50 50 BBGA Cn1nccc1-c1cccc(B(O)O)c1 169794313 VISQEUJMQDFZKE-UHFFFAOYSA-N 202.022 -0.233 50 50 BBGA in-vitro O=C(CCl)N[C@H]1CCn2c(O)nnc2C1 1875374945 LAJJZDBUFPDMCH-YFKPBYRVSA-N 230.655 -0.347 50 50 BBGA CC(C)(C(=O)NN)n1cc([N+](=O)[O-])cn1 2534381 RLNHQXAALOGLAQ-UHFFFAOYSA-N 213.197 -0.484 50 50 BBGA CCNC(=O)c1ccc(B(O)O)c(F)c1 169744586 RVPOYQNEOOWSAW-UHFFFAOYSA-N 211.001 -0.745 50 50 BBGA in-vitro CNC(=S)NNC(=O)CN1CCSCC1 55438057 FHMKCWGKRVUAAI-UHFFFAOYSA-N 248.377 -0.840 50 50 BBGA O=S1(=O)C[C@H](O)[C@H](Br)C1 1083855 JUROXLRSVVHUOG-DMTCNVIQSA-N 215.068 -0.461 50 50 BBGA in-vitro Cc1cc([N+](=O)[O-])nn1[C@@H](C)C(=O)NN 2731931 ZHILFGNQBQWTNG-YFKPBYRVSA-N 213.197 -0.349 50 50 BBGA CN(C)C(=O)c1ccc(B(O)O)c(Cl)c1 169744243 XDXLWGSWGUHJAJ-UHFFFAOYSA-N 227.456 -0.278 50 50 BBGA COC(=O)c1ccc(B(O)O)c([N+](=O)[O-])c1 169745559 SFEJGHJCGQNFQC-UHFFFAOYSA-N 224.965 -0.939 50 50 BBGA C[C@H](c1ccc(B(O)O)cc1)N1CCN(C)CC1 230541165 GKJJUVULSZUPLG-LLVKDONJSA-N 248.135 -0.325 50 50 BBGA Cn1c2c(c(=O)n(C)c1=O)N[C@H](Cl)N2 19877761 OGPLFGGRRJMNIJ-LURJTMIESA-N 216.628 -0.556 50 50 BBGA CCCNC(=O)c1cc(B(O)O)ccc1F 169745543 GFXXWQFBQBTTAV-UHFFFAOYSA-N 225.028 -0.355 50 50 BBGA in-vitro COC(=O)c1cc(B(O)O)ccc1Cl 169745553 YEPWHDGFBVDINZ-UHFFFAOYSA-N 214.413 -0.194 50 50 BBGA in-vitro COc1cc([N+](=O)[O-])cc(B(O)O)c1F 725345950 GPVMUMXQKIZTLA-UHFFFAOYSA-N 214.945 -0.578 50 50 BBGA O=c1[nH]nc(SC[C@@H](O)CCl)c(=O)[nH]1 1232021 ZJONYFXJMCHKKJ-VKHMYHEASA-N 237.668 -0.850 50 50 BBGA O=C1C[C@H](NC(=O)C(F)(F)F)C(=O)O1 100405234 ABTJOHYOWBAGTP-REOHCLBHSA-N 211.095 -0.493 50 50 BBGA CCS(=O)(=O)N1CCC[C@H](C(=O)NN)C1 4294092 LWTFUEQCTQRQLA-ZETCQYMHSA-N 235.309 -0.962 50 50 BBGA CC(=O)[C@@H]1C(=O)OC(=O)[C@@H](C(C)=O)C1=O 100732079 QXEVSCSWJUZNSA-WDSKDSINSA-N 212.157 -0.951 50 50 BBGA NNC(=O)Cc1nc(-c2ccco2)n[nH]1 40216568 NFMZBTICPBQTEP-UHFFFAOYSA-N 207.193 -0.403 50 50 BBGA OB(O)c1cccc2c1OCC1(CC1)CO2 169955376 MXUMJCAZRRESDX-UHFFFAOYSA-N 220.033 -0.082 50 50 BBGA O=C1OC(=O)[C@H]2C3C=CC([C@H]12)[C@@H]1C(=O)OC(=O)[C@H]31 169289751 XLOGCGOPKPCECW-LIMHGSMISA-N 248.190 -0.566 50 50 BBGA COc1cc(C=O)cc(OC)c1B(O)O 169806744 SNAHFCPYLSJIAT-UHFFFAOYSA-N 209.994 -0.804 50 50 BBGA C=C(C)C(=O)Oc1ccc(B(O)O)cc1 204407207 SWYSPVHUGOKMGH-UHFFFAOYSA-N 206.006 -0.152 50 50 BBGA O=C1C[C@H](NC(=O)c2ccco2)C(=O)O1 101684437 SCOIVWFJLAQRNW-YFKPBYRVSA-N 209.157 -0.149 50 50 BBGA COC(=O)/C(C#N)=C\NC(=S)C(N)=S 102300130 AGOJLRXABSYCNA-ARJAWSKDSA-N 229.286 -0.230 50 50 BBGA O=C(NC1CC1)c1ccc(B(O)O)cc1 169745053 WCRPDYXXIVYAAJ-UHFFFAOYSA-N 205.022 -0.741 50 50 BBGA in-vitro NNC(=O)c1cccc2c1OCC(=O)N2 675083031 VZZHFKHKLRLCKH-UHFFFAOYSA-N 207.189 -0.379 50 50 BBGA O=C(NCC1CC1)c1ccc(B(O)O)cc1 196813412 AGKCMWAYHJQWBX-UHFFFAOYSA-N 219.049 -0.494 50 50 BBGA Cc1ccc(S(=O)(=O)CC(=O)NN)cc1 410106 LVCKVRCJOYCWCZ-UHFFFAOYSA-N 228.273 -0.241 50 50 BBGA Cn1nccc1C(=O)NNC(=S)NC1CC1 2778625 RKWUGUIBRGDARB-UHFFFAOYSA-N 239.304 -0.309 50 50 BBGA Cc1csc([C@@](C)(O)C(=O)NN)n1 114280270 JWNBIPXBENICMO-ZETCQYMHSA-N 201.251 -0.351 50 50 BBGA CN(C)C(=O)N(N)[C@@H]1CCS(=O)(=O)C1 757127992 OJHLDYRQWLSZGQ-ZCFIWIBFSA-N 221.282 -0.969 50 50 BBGA CN1CCN(c2ccccc2B(O)O)CC1 196005875 NXHJNDDIBAAYDR-UHFFFAOYSA-N 220.081 -0.882 50 50 BBGA O=C(c1ccc(B(O)O)c(F)c1)N1CCCC1 169744391 XNEOXUHAOKJOON-UHFFFAOYSA-N 237.039 -0.259 50 50 BBGA O=[N+]([O-])c1cc(B(O)O)ccc1Cl 169744886 LQCCRPUZTXKDGB-UHFFFAOYSA-N 201.374 -0.072 50 50 BBGA in-vitro O=C(CCl)NCc1nc2ncccn2n1 1775991488 FHPJZRLBGKWDIK-UHFFFAOYSA-N 225.639 -0.021 50 50 BBGA CC(C)CNC(=O)c1ccc(B(O)O)c(F)c1 169744502 SYWQFFNQLZEIEA-UHFFFAOYSA-N 239.055 -0.109 50 50 BBGA OB(O)c1cc(Br)ncc1F 169747451 AXQCYFLMAUPOLN-UHFFFAOYSA-N 219.806 -0.337 50 50 BBGA OB(O)c1cnn(Cc2cccnc2)c1 169794561 ALCBGBRWURGODI-UHFFFAOYSA-N 203.010 -0.994 50 50 BBGA in-vitro CNC(=S)NNC(=O)c1cccnc1 161634 DUIDMCFMTLDCHQ-UHFFFAOYSA-N 210.262 -0.180 50 50 BBGA in-vitro COCCCNC(=S)NNC(=O)C(C)(C)O 2857408 KLIFBEAPBKBCBC-UHFFFAOYSA-N 249.336 -0.711 50 50 BBGA O=C(CCl)NCCCn1cccnc1=O 1875366494 OZMWRAVXBWSBDD-UHFFFAOYSA-N 229.667 -0.012 50 50 BBGA COc1ccc(B(O)O)c2cccnc12 169946156 JTSWRFOAZFMVBU-UHFFFAOYSA-N 203.006 -0.077 50 50 BBGA in-vitro CCCS(=O)(=O)c1ccc(B(O)O)cc1 169934025 JWRPDLRKXOTPJH-UHFFFAOYSA-N 228.078 -0.450 50 50 BBGA in-vitro O[B-](O)(O)c1ccc(C(F)(F)F)cn1 208328332 QGTGEUSRNQHBJZ-UHFFFAOYSA-N 207.924 -0.777 50 50 BBGA in-vitro O=C(O)c1cc(F)cc(B(O)O)c1F 242620162 PVOGDDKENQSBOW-UHFFFAOYSA-N 201.921 -0.657 50 50 BBGA NNC(=O)C1=CNC(=O)N[C@@H]1c1ccccc1 20198586 LXIGTIWGYGDBGM-SECBINFHSA-N 232.243 -0.086 50 50 BBGA C[C@H](Br)C(=O)NCC(=O)O 2163702 WNPRTSMRNZDFHL-VKHMYHEASA-N 210.027 -0.029 50 50 BBGA in-vitro O=C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 169745446 ATSICDGBVQTFMX-UHFFFAOYSA-N 247.059 -0.829 50 50 BBGA in-vitro CCCOC(=O)N(N)[C@H]1CCS(=O)(=O)C1 757129118 SQKIHOMRVPWNKT-ZETCQYMHSA-N 236.293 -0.104 50 50 BBGA OB(O)c1cnc(OCC(F)(F)F)nc1 169935119 AQKQSXGEHZAYIS-UHFFFAOYSA-N 221.931 -0.903 50 50 BBGA COC(=O)c1cc(B(O)O)ccc1OC 170002471 LXGMDDVQLGJPIT-UHFFFAOYSA-N 209.994 -0.838 50 50 BBGA O=[N+]([O-])c1cc(B(O)O)c(F)cc1F 169745054 PSPLUVTUISDWMW-UHFFFAOYSA-N 202.909 -0.447 50 50 BBGA in-vitro OB(O)c1ccccc1CN1CCOCC1 169747948 DFBBOZSTIQMBLF-UHFFFAOYSA-N 221.065 -0.801 50 50 BBGA in-vitro OB(O)c1ccc(F)nc1Br 238623216 ICWNSBHSKIPORD-UHFFFAOYSA-N 219.806 -0.337 50 50 BBGA COCC(=O)NNC(=S)NCC(C)C 2855767 STNPYGQQQOTYNT-UHFFFAOYSA-N 219.310 -0.216 50 50 BBGA CN(C)C(=O)c1cc(B(O)O)ccc1F 169745646 CRXFXVKQLCHKSK-UHFFFAOYSA-N 211.001 -0.793 50 50 BBGA in-vitro O=C1OC(=O)[C@@H]2C[C@@H]3C(=O)OC(=O)[C@@H]3C[C@H]12 100286945 LJMPOXUWPWEILS-GUCUJZIJSA-N 224.168 -0.588 50 50 BBGA in-vitro CCCNC(=O)c1ccc(B(O)O)cc1 169745758 KWJCBWYHJKWCRD-UHFFFAOYSA-N 207.038 -0.494 50 50 BBGA in-vitro CC(=O)Nc1cc(B(O)O)ccc1[N+](=O)[O-] 169904013 ADVXLCMYNUPALJ-UHFFFAOYSA-N 223.981 -0.767 50 50 BBGA in-vitro CCOc1ncc(Cl)cc1B(O)O 169933880 PJOUUPBCQXEJTF-UHFFFAOYSA-N 201.418 -0.187 50 50 BBGA in-vitro CCOC(=O)Cc1cccc(B(O)O)c1 169933931 GDWZKERCECMYJX-UHFFFAOYSA-N 208.022 -0.528 50 50 BBGA in-vitro C[C@@H](c1ccc(B(O)O)cc1)N1CCC(O)CC1 230552198 ZCSPNOXEDFIRNM-JTQLQIEISA-N 249.119 -0.116 50 50 BBGA O=S(=O)(c1ccc(B(O)O)cc1)C1CC1 169900229 PSSBXFAHOTXNHV-UHFFFAOYSA-N 226.062 -0.698 50 50 BBGA in-vitro OB(O)c1ccc(OC(F)(F)F)nc1 169916911 UTNFOSHVMVOKPG-UHFFFAOYSA-N 206.916 -0.340 50 50 BBGA N/C(=N\NC(=O)c1cccnc1)c1nonc1N 4546866 AQUXZFFUQNMTAY-UHFFFAOYSA-N 247.218 -0.903 50 50 BBGA O=C(NCc1ccco1)c1ccc(B(O)O)cc1 169745428 KXSMENBYQORPAK-UHFFFAOYSA-N 245.043 -0.111 50 50 BBGA in-vitro CC(C)(C)NC(=O)c1cc(N)cc(B(O)O)c1 169978035 DAVSVIUXJASVPZ-UHFFFAOYSA-N 236.080 -0.523 50 50 BBGA CCC(=O)N(N)[C@H]1CCS(=O)(=O)C1 757126507 HFTCXQWVESGVQR-LURJTMIESA-N 206.267 -0.714 50 50 BBGA CC(C)N1C(=O)C[C@@H](NC(=O)CCl)C1=O 1319674602 QOEFXMKPWJOEHD-ZCFIWIBFSA-N 232.667 -0.123 50 50 BBGA CC(C)(C)OC(=O)n1cccc1B(O)O 169743226 ZWGMJLNXIVRFRJ-UHFFFAOYSA-N 211.026 -0.049 50 50 BBGA in-vitro CC(C)CNC(=O)c1cccc(B(O)O)c1 169745753 VRCFUCPIPJUGKG-UHFFFAOYSA-N 221.065 -0.248 50 50 BBGA in-vitro Cn1cnc2cc(B(O)O)c(F)c(F)c21 170001539 YYDZVJPPMHATAK-UHFFFAOYSA-N 211.964 -0.469 50 50 BBGA C[C@H](NC(=O)C(=O)NN)c1ccccc1 1621744 UQXPGBTUPFWHEF-ZETCQYMHSA-N 207.233 -0.146 50 50 BBGA biogenic,in-vitro COc1cc(B(O)O)c(Br)cn1 169745637 ZNJUFOAOSUTWIG-UHFFFAOYSA-N 231.842 -0.468 50 50 BBGA in-vitro COCCCOc1ccccc1B(O)O 169929556 QTKSGDCKQYSRMK-UHFFFAOYSA-N 210.038 -0.218 50 50 BBGA in-vitro COC(=O)c1cc(B(O)O)cnc1Cl 169955514 DIFRSSBVMUHAMI-UHFFFAOYSA-N 215.401 -0.799 50 50 BBGA NNC(=O)[C@H]1C(=O)NC[C@H]1c1ccccc1 340280 MWJRJUUIBZWZBQ-DTWKUNHWSA-N 219.244 -0.494 50 50 BBGA CN(C)CCCOc1ccc(B(O)O)cn1 169989559 BVTVITPDEGCMGA-UHFFFAOYSA-N 224.069 -0.908 50 50 BBGA N#C/C(=N/Nc1ccccc1C(=O)O)C(=O)NN 333102 FXTXPVZJHGXILF-NVNXTCNLSA-N 247.214 -0.334 50 50 BBGA C[C@@H](CS(=O)(=O)CCCl)C(N)=O 3121682 UIPUDJWUPAWJEL-YFKPBYRVSA-N 213.686 -0.239 50 50 BBGA CCOC(=O)C(=N/O)/C(C)=N/NC(C)=O 4955494 XTMPHQKXTZYSCY-TWHYHQCRSA-N 215.209 -0.108 50 50 BBGA CS(=O)(=O)c1ccc(CB(O)O)cc1 170001558 WQPXAGNKZXDSKQ-UHFFFAOYSA-N 214.051 -0.355 50 50 BBGA O=C(CCl)N1CC[C@H](c2nn[nH]n2)C1 720634877 JAOJHNZZCLRNCF-YFKPBYRVSA-N 215.644 -0.246 50 50 BBGA COc1cc2c(B(O)O)cccc2cn1 169809988 VTDNRNDXZFEULW-UHFFFAOYSA-N 203.006 -0.077 50 50 BBGA CNC(=S)NNC(=O)c1ccnn1C 2780614 PMJNWEWPIHUSPO-UHFFFAOYSA-N 213.266 -0.841 50 50 BBGA OB(O)c1cnc(Br)s1 209842895 VCBXYNRKOPBEGH-UHFFFAOYSA-N 207.845 -0.415 50 50 BBGA OB(O)c1ccc([C@H]2NCCS2)cc1 169744789 JXWCKTPGUFGAKU-VIFPVBQESA-N 209.079 -0.299 50 50 BBGA O=C(O)c1cc(B(O)O)c(F)cc1Cl 169994748 JITGPPMCCAVZCL-UHFFFAOYSA-N 218.376 -0.143 50 50 BBGA in-vitro NNC(=O)c1cccc(OCC(=O)O)c1 2325824998 YWLAHKJCKTVQOA-UHFFFAOYSA-N 210.189 -0.247 50 50 BBGA NC(=O)c1ccc(B(O)O)cc1Br 1772572520 KYNJOMZGJITWPG-UHFFFAOYSA-N 243.853 -0.772 50 50 BBGA O=C(O)c1cc(B(O)O)cc(F)c1F 169904805 LGTXKMKWZQXDKJ-UHFFFAOYSA-N 201.921 -0.657 50 50 BBGA in-vitro CN(C)CCOc1ccccc1B(O)O 197957720 WBQFAMKKWIRVOA-UHFFFAOYSA-N 209.054 -0.693 50 50 BBGA O=C(NNC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1)c1cnn[nH]1 826584593 TYFQPFURACPCCI-ZMONIFLSSA-N 235.247 -0.388 50 50 BBGA O=C(O)CNC(=O)C(=O)N/N=C/c1ccccc1 2024607 DBMYUDBHVGYZPH-AWNIVKPZSA-N 249.226 -0.663 50 50 BBGA COCn1cc(B(O)O)c(C(F)(F)F)n1 169934138 RBAPGEYGJQXEFO-UHFFFAOYSA-N 223.947 -0.814 50 50 BBGA in-vitro O=C(O)c1cc(F)c(B(O)O)c(F)c1 169746252 QJZJINMQKWVLJB-UHFFFAOYSA-N 201.921 -0.657 50 50 BBGA OC[C@](O)(Br)[C@@H](O)Br 44559949 YBRWXUOZWZIXST-PWNYCUMCSA-N 249.886 -0.225 50 50 BBGA C[C@H](NC(=O)CCl)c1nnnn1C 1347736611 ZKAYEVOYEYZZDK-BYPYZUCNSA-N 203.633 -0.374 50 50 BBGA CNC(=O)NC(NC(=O)NC)C(Cl)Cl 101369108 NNPPTLORZQICOX-UHFFFAOYSA-N 243.094 -0.026 50 50 BBGA CN1CCN(C)[C@@H](CNC(=O)CCl)C1 225338694 JKSOUYHFNUFWGP-QMMMGPOBSA-N 219.716 -0.413 50 50 BBGA CC(C)NC(=O)C(=O)NNC(=O)C(C)(C)C 5044342 SDRSULHQQYLCGW-UHFFFAOYSA-N 229.280 -0.296 50 50 BBGA OB(O)c1ccc(CCN2CCOCC2)cc1 169746213 NRYDRHSRCNEXMG-UHFFFAOYSA-N 235.092 -0.759 50 50 BBGA in-vitro CNC(=S)NNC(=O)Cn1cc(C)cn1 2793293 XAMZLHCNYNYSBY-UHFFFAOYSA-N 227.293 -0.683 50 50 BBGA CC(C)NS(=O)(=O)c1ccc(B(O)O)cc1 169745045 PMNOLRUYDNBEFQ-UHFFFAOYSA-N 243.093 -0.947 50 50 BBGA in-vitro CC[C@@H](C(=O)NN)n1cc([N+](=O)[O-])cn1 2731883 BZSQGGHCPRDMRH-LURJTMIESA-N 213.197 -0.268 50 50 BBGA COCCC(=O)N1CCN(C(=O)CCl)CC1 113918607 UMSYAMOITWSSLB-UHFFFAOYSA-N 248.710 -0.068 50 50 BBGA CCNS(=O)(=O)CCNC(=O)[C@H](C)Cl 218351131 PGDZPJWXLCOZIM-LURJTMIESA-N 242.728 -0.331 50 50 BBGA OB(O)c1ccc(Cn2ccnc2)cc1 169926299 WOPRITIOYMANHW-UHFFFAOYSA-N 202.022 -0.389 50 50 BBGA COc1cc(B(O)O)cc(OC)c1C=O 169747594 AMCMBLFQAZPIPI-UHFFFAOYSA-N 209.994 -0.804 50 50 BBGA in-vitro OB(O)c1ccc(N2CCOCC2)c(Cl)c1 169917250 MLYNSBCEZWQQEF-UHFFFAOYSA-N 241.483 -0.144 50 50 BBGA in-vitro Cc1nn([C@H]2CCCCO2)c(C)c1B(O)O 169905102 YOFFBMDCMBAWSH-SECBINFHSA-N 224.069 -0.121 50 50 BBGA in-vitro CN(C)C(=O)COC1CN(C(=O)CCl)C1 1323269070 JMSDJGVAMCHJGA-UHFFFAOYSA-N 234.683 -0.459 50 50 BBGA CCCS(=O)(=O)Nc1cccc(B(O)O)c1 169903926 JZIHQVMLJAJFFZ-UHFFFAOYSA-N 243.093 -0.482 50 50 BBGA in-vitro COc1cc([N+](=O)[O-])cc(B(O)O)c1OC 199822555 NZMALOUAKUHZFI-UHFFFAOYSA-N 226.981 -0.708 50 50 BBGA O=C(NCCCl)c1cccc(B(O)O)c1 169743987 OMDXADHEWANBAK-UHFFFAOYSA-N 227.456 -0.665 50 50 BBGA in-vitro CC(C)(C)C(=O)Nc1ncccc1B(O)O 169969270 FNQFXQKJXANOQU-UHFFFAOYSA-N 222.053 -0.254 50 50 BBGA O=C(O)c1ccc(B(O)O)cc1Cl 169744935 QFAFGWXQNDYXPZ-UHFFFAOYSA-N 200.386 -0.282 50 50 BBGA in-vitro COC(=O)c1c(F)cc(B(O)O)cc1F 169748184 DFSQCSAZKURRRE-UHFFFAOYSA-N 215.948 -0.569 50 50 BBGA in-vitro OB(O)c1cc(C(F)(F)F)cnc1F 169942471 PVDFJVJLKFKDGJ-UHFFFAOYSA-N 208.907 -0.081 50 50 BBGA COc1ccc(B(O)O)cc1OCC#N 170001068 UJPNPYMLWKLQDS-UHFFFAOYSA-N 206.994 -0.723 50 50 BBGA COC(=O)c1cc(F)c(B(O)O)c(F)c1 195787885 UAQVWIOVTATRBS-UHFFFAOYSA-N 215.948 -0.569 50 50 BBGA Cc1nn([C@H](C)C(=O)NN)c(C)c1[N+](=O)[O-] 2557726 WQYUEHWAJSESGA-ZCFIWIBFSA-N 227.224 -0.041 50 50 BBGA COCC(=O)N1CC(CNC(=O)CCl)C1 1875375203 UXRCLRLTDGWWTM-UHFFFAOYSA-N 234.683 -0.554 50 50 BBGA OCc1cc(C(F)(F)F)ccc1B(O)O 169988564 QJZJYNDNLGOFFZ-UHFFFAOYSA-N 219.955 -0.123 50 50 BBGA OB(O)c1cccc(F)c1Cn1cccn1 170001576 HKZNOLGDVIMEQM-UHFFFAOYSA-N 220.012 -0.250 50 50 BBGA CC(C)CSc1ncc(B(O)O)cn1 170000911 FFKUKKWVUMUDGU-UHFFFAOYSA-N 212.083 -0.096 50 50 BBGA OB(O)c1ccc(CN2CCOCC2)c(F)c1 199436062 ASQRNGXPPOBPJM-UHFFFAOYSA-N 239.055 -0.662 50 50 BBGA in-vitro CN1CCN(c2cc(F)cc(B(O)O)c2)CC1 230545012 LOIYMTSRYIXULX-UHFFFAOYSA-N 238.071 -0.743 50 50 BBGA OB(O)c1cccc(I)c1 169743679 REEUXWXIMNEIIN-UHFFFAOYSA-N 247.828 -0.029 50 50 BBGA in-vitro OB(O)c1ccc(Cn2cncn2)cc1 203176837 NFYSBAQKJZLSRL-UHFFFAOYSA-N 203.010 -0.994 50 50 BBGA O=C(CCl)N[C@@H]1C[C@H](O)[C@@H]1n1cccn1 1875375969 KXLHCBHWZLXGEF-BKPPORCPSA-N 229.667 -0.088 50 50 BBGA NNC(=O)[C@@H](CCO)CC1CCC(O)CC1 286613 CDBZTYPEWOHMLD-KYHHOPLUSA-N 230.308 -0.084 50 50 BBGA OB(O)c1ccc(OCC(F)(F)F)nc1 169746794 OGBJEQPXZICXNY-UHFFFAOYSA-N 220.943 -0.298 50 50 BBGA COC(=O)c1cc(F)c(F)cc1B(O)O 169964854 FKBKLXXNCMSJMQ-UHFFFAOYSA-N 215.948 -0.569 50 50 BBGA O=C(c1cc(B(O)O)ccn1)C(F)(F)F 169969334 JCUPTTRMSGGKLE-UHFFFAOYSA-N 218.927 -0.494 50 50 BBGA O=[N+]([O-])c1ccc(B(O)O)c(Cl)c1 169955467 UQGPTZONRAXNDF-UHFFFAOYSA-N 201.374 -0.072 50 50 BBGA CNC(=O)C1CN(C(=O)[C@H](C)Cl)C1 307260723 TXKCBQYXXJYTGQ-YFKPBYRVSA-N 204.657 -0.182 50 50 BBGA CON(C)C(=O)c1cc(B(O)O)ccc1F 169745364 WNDRABQWMCWUIO-UHFFFAOYSA-N 227.000 -0.861 50 50 BBGA in-vitro CC1(COc2ccc(B(O)O)cc2)COC1 169934644 YUUJVQOVXJGZCL-UHFFFAOYSA-N 222.049 -0.218 50 50 BBGA in-vitro OB(O)c1ccc(OC2CCOCC2)nc1 169989571 BNVDCDBRMLRMGQ-UHFFFAOYSA-N 223.037 -0.681 50 50 BBGA COC(=O)N[C@H](C(=O)NN)C(C)(C)C 39169150 UEUCJJITPXHGSU-RXMQYKEDSA-N 203.242 -0.253 50 50 BBGA CCNC(=O)c1cc(B(O)O)ccc1F 169745484 BAEYNRHYQQRDHO-UHFFFAOYSA-N 211.001 -0.745 50 50 BBGA in-vitro CNC(=O)[C@H]1CN(C(=O)CCl)CCO1 1875377520 GICBATSGSLXACF-ZCFIWIBFSA-N 220.656 -0.801 50 50 BBGA CS(=O)(=O)NCCI 161944505 QRJDRGVAXTXUOE-UHFFFAOYSA-N 249.073 -0.029 50 50 BBGA CN(C)CCCOc1ccc(B(O)O)cc1F 230527983 DUBVFWCGAPPJNU-UHFFFAOYSA-N 241.071 -0.164 50 50 BBGA OB(O)c1ccc(CN2CCOCC2)cc1F 169995036 DCGZQOHKVDEKNF-UHFFFAOYSA-N 239.055 -0.662 50 50 BBGA in-vitro CC(C)OC(=O)N(N)[C@@H]1CCS(=O)(=O)C1 757129643 YCEHVJDDXKULDH-SSDOTTSWSA-N 236.293 -0.106 50 50 BBGA NCC(=O)NNC(=O)OCc1ccccc1 2522703 KGIOXEWPWAEXJJ-UHFFFAOYSA-N 223.232 -0.097 50 50 BBGA in-vitro C[C@]1(C(=O)NN)Oc2ccccc2NC1=O 4073010 GGEWBVRIKVFBPN-JTQLQIEISA-N 221.216 -0.234 50 50 BBGA CCCNC(=O)c1cccc(B(O)O)c1F 169744657 JTUXGTADUVWHBJ-UHFFFAOYSA-N 225.028 -0.355 50 50 BBGA COC(=O)CCc1cccc(B(O)O)c1 169745382 IPXZIWCEVNDHFD-UHFFFAOYSA-N 208.022 -0.528 50 50 BBGA in-vitro O=C(CCl)NC12CC(CO)(C1)OC21COC1 1875375158 SNUVZWRTTJRLKL-UHFFFAOYSA-N 247.678 -0.596 50 50 BBGA CNC(=O)[C@@H]1CN(C(=O)CCl)CCO1 1875377519 GICBATSGSLXACF-LURJTMIESA-N 220.656 -0.801 50 50 BBGA COC(=O)c1ccc(Cl)cc1B(O)O 169746611 JHPMDNPILTXCFY-UHFFFAOYSA-N 214.413 -0.194 50 50 BBGA in-vitro C[C@H](NC(=O)c1ccccc1)C(=O)NN 35755 JVBBUSGKRYKFPM-ZETCQYMHSA-N 207.233 -0.205 50 50 BBGA CC(=O)N1CCN(c2ccc(B(O)O)cc2)CC1 170009720 NEPZCNSUXGOPPC-UHFFFAOYSA-N 248.091 -0.965 50 50 BBGA in-vitro Cc1nnc(-c2cccc(B(O)O)c2)o1 169745357 GXJXMCCAPBQQHR-UHFFFAOYSA-N 203.994 -0.275 50 50 BBGA in-vitro Cc1cc(N2CCOCC2)ccc1B(O)O 255188375 JPUJWDGWNYUXTR-UHFFFAOYSA-N 221.065 -0.489 50 50 BBGA O=C(O)C[C@@H](NC(=O)CCl)C(=O)O 2030294 COXKWXFZCRVVQB-GSVOUGTGSA-N 209.585 -0.731 50 50 BBGA CN(Cc1cccc(B(O)O)c1)C1CC1 170000312 KYAAWURQDVLYFJ-UHFFFAOYSA-N 205.066 -0.039 50 50 BBGA COCCCOCc1cccc(B(O)O)c1 203169935 ANFQBCMDKQWTSS-UHFFFAOYSA-N 224.065 -0.081 50 50 BBGA COc1cc(B(O)O)ccc1-n1cnc(C)c1 169983056 OMGGGTOQGOMAKG-UHFFFAOYSA-N 232.048 -0.131 50 50 BBGA in-vitro CCS(=O)(=O)N1CCC[C@@H](C(=O)NN)C1 2537709 LWTFUEQCTQRQLA-SSDOTTSWSA-N 235.309 -0.962 50 50 BBGA C[C@H]1COc2cccc(B(O)O)c2OC1 170001000 DGGFLCNEFJQNJG-ZETCQYMHSA-N 208.022 -0.226 50 50 BBGA OB(O)c1ccc(Oc2cccnc2)nc1 169935270 OKBZLPTXOVQGGP-UHFFFAOYSA-N 216.005 -0.051 50 50 BBGA in-vitro O=C(O)c1ccc(Cl)cc1B(O)O 169745500 OTIPTCHUAWBCTA-UHFFFAOYSA-N 200.386 -0.282 50 50 BBGA CN1CCC(O)(c2ccc(B(O)O)cc2)CC1 1772572497 DRIUQPYHARQZOU-UHFFFAOYSA-N 235.092 -0.720 50 50 BBGA C[C@@H](Cl)C(=O)N[C@@]1(C(N)=O)CCCOC1 1875377929 RMVREFDRDOSJND-MUWHJKNJSA-N 234.683 -0.236 50 50 BBGA Nc1nnc(-c2ccc(B(O)O)cc2)s1 169746737 AXLUIXIRFSJARE-UHFFFAOYSA-N 221.050 -0.533 50 50 BBGA in-vitro Cc1cc(CCC(=O)O)ccc1B(O)O 238475265 MRPXOYNBJYPGFT-UHFFFAOYSA-N 208.022 -0.308 50 50 BBGA OB(O)c1ccc(C2=NCCCO2)cc1 169745074 OASSAUSIPZASKK-UHFFFAOYSA-N 205.022 -0.467 50 50 BBGA CC(C)(C)OC(=O)n1ccc(B(O)O)c1 169933895 JTFQDOHHXGSMFC-UHFFFAOYSA-N 211.026 -0.049 50 50 BBGA in-vitro CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NN 394739 CRZZRSWETKBGET-JTQLQIEISA-N 237.259 -0.571 50 50 BBGA CCS(=O)(=O)c1ccc(B(O)O)cc1 169747019 CVBNDDGEVPNUNA-UHFFFAOYSA-N 214.051 -0.840 50 50 BBGA Cc1cc([N+](=O)[O-])nn1C[C@H](C)C(=O)NN 2536995 SBEMNWTXVUTGGV-YFKPBYRVSA-N 227.224 -0.274 50 50 BBGA O=C(O)c1cc(F)c(B(O)O)cc1Cl 606241634 KSEOHVHCRUUJAG-UHFFFAOYSA-N 218.376 -0.143 50 50 BBGA NNC(=O)COc1cccc([N+](=O)[O-])c1 37390126 SPNCFJGYYJIXCB-UHFFFAOYSA-N 211.177 -0.037 50 50 BBGA CC(C)(C)OC(=O)NNS(C)(=O)=O 43214765 RYCUXIYZQQNAGU-UHFFFAOYSA-N 210.255 -0.025 50 50 BBGA O=C1CC[C@@H]2CN(C(=O)CCl)C[C@@H]2N1 1875368126 SDSLJSUYBAQJSU-RQJHMYQMSA-N 216.668 -0.038 50 50 BBGA CN1CCC(N2CCC(C(=O)NN)CC2)CC1 66324306 MFKZAZWAILGUQX-UHFFFAOYSA-N 240.351 -0.218 50 50 BBGA COC1CCN(c2ccc(B(O)O)cc2)CC1 204255216 GQAIUVIJYKGVGI-UHFFFAOYSA-N 235.092 -0.018 50 50 BBGA O=C(CCl)NCCN1CC2(COC2)C1 1875367414 UFFKLYFKEBQHBK-UHFFFAOYSA-N 218.684 -0.326 50 50 BBGA NNC(=O)c1n[nH]c([N+](=O)[O-])c1Cl 4243764 CBXSYLDEWJXSDA-UHFFFAOYSA-N 205.561 -0.425 50 50 BBGA COc1cnc(Br)cc1B(O)O 169794558 SCSULHVJKCOJPH-UHFFFAOYSA-N 231.842 -0.468 50 50 BBGA N=C(N)SCc1ccc(B(O)O)cc1 203138355 KDQVMGQHPAKJAN-UHFFFAOYSA-N 210.067 -0.507 50 50 BBGA in-vitro O=C(NC[C@@H]1CCCO1)c1cccc(B(O)O)c1 169905108 OBHSWJBFUUNHJE-NSHDSACASA-N 249.075 -0.725 50 50 BBGA in-vitro C[C@H](C#N)CNCc1ccccc1B(O)O 585035617 WRIQEKFQIZERTL-SECBINFHSA-N 218.065 -0.384 50 50 BBGA O=C(CCl)N[C@@H]1C[C@@H](O)[C@H]1n1cccn1 1875375968 KXLHCBHWZLXGEF-BHNWBGBOSA-N 229.667 -0.088 50 50 BBGA CCC(=O)N(N)[C@@H]1CCS(=O)(=O)C1 757126511 HFTCXQWVESGVQR-ZCFIWIBFSA-N 206.267 -0.714 50 50 BBGA CCNC(=S)NNC(=O)c1cc(C)n(C)n1 2112319 UACIFOCKOKLQIC-UHFFFAOYSA-N 241.320 -0.143 50 50 BBGA NNC(=O)CCn1c(=O)[nH]c2ccccc2c1=O 41098087 YFPVRIYCVQFNQX-UHFFFAOYSA-N 248.242 -0.930 50 50 BBGA Cc1cc(B(O)O)n(C(=O)OC(C)(C)C)n1 169746248 JCGANVBFCXPIOL-UHFFFAOYSA-N 226.041 -0.345 50 50 BBGA in-vitro CNC(=O)c1ccc(B(O)O)c(Cl)c1 169744611 LSMHGCJWZPHACP-UHFFFAOYSA-N 213.429 -0.621 50 50 BBGA OB(O)c1ccc(Cn2cccn2)c(F)c1 169926295 FDVOYBMPDRQBGK-UHFFFAOYSA-N 220.012 -0.250 50 50 BBGA in-vitro COc1ccc(B(O)O)cc1CC(=O)O 238430189 XVWBANVSKMCENX-UHFFFAOYSA-N 209.994 -0.998 50 50 BBGA O=C(O)CCNC(=O)CBr 22052991 ULKDIPSSLZFIQU-UHFFFAOYSA-N 210.027 -0.028 50 50 BBGA in-vitro Cc1ccc(B(O)O)c(-n2cccn2)c1 169794309 BFWQHIWBRDBMQI-UHFFFAOYSA-N 202.022 -0.139 50 50 BBGA OB(O)c1cc(O)cc(Br)c1 169933976 VBZFFUITZWZGEE-UHFFFAOYSA-N 216.827 -0.166 50 50 BBGA Cc1nc(Br)ccc1B(O)O 169744919 NXLYPZNXELJJDT-UHFFFAOYSA-N 215.843 -0.168 50 50 BBGA Nc1cc(B(O)O)ccc1Br 169977956 XRRGCCXTOSRIJL-UHFFFAOYSA-N 215.843 -0.289 50 50 BBGA CCOC(=O)NC(=O)CCC(=O)NN 1719558 PFURXQODMOFYIH-UHFFFAOYSA-N 203.198 -0.971 50 50 BBGA CCOCCOc1ccc(B(O)O)cc1 169746745 CPKQGDUGMWMRNE-UHFFFAOYSA-N 210.038 -0.218 50 50 BBGA in-vitro CN(C(=O)CCl)[C@H]1CCS(=O)(=O)C1 3882586 HGIYHXMVKRVQSW-LURJTMIESA-N 225.697 -0.129 50 50 BBGA in-vitro CNc1nnc(-c2ccc(B(O)O)cc2)s1 169746196 CPDFAKHYAAIBTF-UHFFFAOYSA-N 235.077 -0.073 50 50 BBGA COC(=O)c1cccc(B(O)O)c1Cl 170010326 NUZNJKSWBQOPQB-UHFFFAOYSA-N 214.413 -0.194 50 50 BBGA NNC(=O)CNC(=O)OCc1ccccc1 1707324 FBXJOIKPPWLCJU-UHFFFAOYSA-N 223.232 -0.097 50 50 BBGA in-vitro C[C@H](c1cccc(B(O)O)c1)N1CCOCC1 230543310 BOELVXGEIYBQOT-SNVBAGLBSA-N 235.092 -0.240 50 50 BBGA O=C1OC(=O)[C@H]2[C@@H]1C[C@@H]1C(=O)OC(=O)[C@H]12 105111923 NLWBEORDOPDUPM-NEEWWZBLSA-N 210.141 -0.978 50 50 BBGA in-vitro CC(=O)Nc1cc(B(O)O)cc(C(=O)O)c1 169743993 JXYOFLNJWCEEBS-UHFFFAOYSA-N 222.993 -0.977 50 50 BBGA CC(C)NC(=O)c1cc(B(O)O)ccc1F 169745047 KPQHVEASBVESSL-UHFFFAOYSA-N 225.028 -0.356 50 50 BBGA in-vitro NC(=O)c1ccc(B(O)O)c(F)c1Cl 1772572511 DDOCNAPAIYTRPG-UHFFFAOYSA-N 217.392 -0.742 50 50 BBGA CCCCS(=O)(=O)c1cccc(B(O)O)c1 170001495 QKQYWQPISLBONE-UHFFFAOYSA-N 242.105 -0.060 50 50 BBGA CCOc1cc2cn[nH]c2cc1B(O)O 238274235 ONTRZBNGYOXECR-UHFFFAOYSA-N 206.010 -0.359 50 50 BBGA OB(O)c1ccc2c(c1)OC(F)(F)O2 169746429 OTTIPUIRDXSIBG-UHFFFAOYSA-N 201.921 -0.312 50 50 BBGA in-vitro CNC(=O)C1CN(C(=O)[C@@H](C)Cl)C1 307260722 TXKCBQYXXJYTGQ-RXMQYKEDSA-N 204.657 -0.182 50 50 BBGA C[C@@H](Br)C(=O)N[C@H](CO)C(=O)O 1575458 FZCUZRSQHFPZKG-QWWZWVQMSA-N 240.053 -0.669 50 50 BBGA in-vitro CCOC(=O)c1ccc(B(O)O)c(C)c1 169964747 LWBVSJUFMSDTAU-UHFFFAOYSA-N 208.022 -0.148 50 50 BBGA CCNC(=O)c1cc(Cl)cc(B(O)O)c1 169746505 RDZMWYYVLMBINL-UHFFFAOYSA-N 227.456 -0.231 50 50 BBGA in-vitro CS(=O)(=O)c1ccc(B(O)O)cc1Cl 170001710 KEFDTLJOWCYVOM-UHFFFAOYSA-N 234.469 -0.577 50 50 BBGA Cc1nnc(-c2ccc(B(O)O)cc2F)o1 169746191 JFDXQWDZYOMAMU-UHFFFAOYSA-N 221.984 -0.136 50 50 BBGA COCCOCc1cccc(B(O)O)c1 169746771 SDOBFXINMOTWOZ-UHFFFAOYSA-N 210.038 -0.471 50 50 BBGA in-vitro N/C(=N/NC(=O)c1ccncc1)c1nonc1N 16677664 BQUOMUNCQFWIQU-UHFFFAOYSA-N 247.218 -0.903 50 50 BBGA OB(O)c1ccc(C2(O)CCOCC2)cc1 217045354 BJVQFACZRDIKSQ-UHFFFAOYSA-N 222.049 -0.636 50 50 BBGA O=[N+]([O-])c1ccc(Cl)cc1B(O)O 169904092 PURYLRLRXKALOG-UHFFFAOYSA-N 201.374 -0.072 50 50 BBGA in-vitro NNC(=O)Cc1ccc(-n2cnnc2O)cc1 675083648 BJWQLRSRJVCYEK-UHFFFAOYSA-N 233.231 -0.495 50 50 BBGA COc1ncc(B(O)O)c(N2CCCCC2)n1 170001402 WKLNWZGKIRSMDZ-UHFFFAOYSA-N 237.068 -0.845 50 50 BBGA CCOc1ccc(C(=O)OC)cc1B(O)O 170010591 OJQYGDCOJVHXDI-UHFFFAOYSA-N 224.021 -0.448 50 50 BBGA O=[S@](CC1CC1)c1ccc(B(O)O)cc1 169904950 LVSXKKKBVXTPSI-OAHLLOKOSA-N 224.090 -0.116 50 50 BBGA in-vitro CCn1nc(C(F)(F)F)cc1B(O)O 169988585 ZTZOXIFXHVHNBB-UHFFFAOYSA-N 207.948 -0.398 50 50 BBGA CC(=O)c1ccc(B(O)O)cc1[N+](=O)[O-] 169933886 PZXBGJTWRHMQQR-UHFFFAOYSA-N 208.966 -0.523 50 50 BBGA in-vitro O=C1OC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@H]12)[C@H]1C(=O)OC(=O)[C@@H]31 239433275 XLOGCGOPKPCECW-CBUHOJLWSA-N 248.190 -0.566 50 50 BBGA in-vitro NNC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 332570 YSMVPJUVLSFSDB-UHFFFAOYSA-N 248.242 -0.930 50 50 BBGA CNC(=S)NNC(=O)[C@H](O)c1ccccc1 5914110 RJDIPPYSFHIVQS-MRVPVSSYSA-N 239.300 -0.155 50 50 BBGA CCOC(=O)CCc1ccc(B(O)O)cc1 169745453 PRCOGZNDLWXGHB-UHFFFAOYSA-N 222.049 -0.138 50 50 BBGA in-vitro Cc1cc(C)n2nc(C(=O)NN)nc2n1 5536783 RIGYXGFWIOEAAM-UHFFFAOYSA-N 206.209 -0.655 50 50 BBGA in-vitro COC(=O)NNC(=S)NC[C@@H]1CCCO1 7061055 MCAMMAUNBFDDFP-LURJTMIESA-N 233.293 -0.100 50 50 BBGA O=C(O)CCC(=O)Nc1cccc(B(O)O)c1 169794523 SVHXAKJLLKGJGC-UHFFFAOYSA-N 237.020 -0.830 50 50 BBGA in-vitro CC(C)OC(=O)c1ccc(B(O)O)c(N)c1 169904710 SUNRJSYWUHBWGS-UHFFFAOYSA-N 223.037 -0.486 50 50 BBGA in-vitro COc1cc(CC(=O)NN)cc(OC)c1O 263623232 FTNKYCYEJHQYAH-UHFFFAOYSA-N 226.232 -0.058 50 50 BBGA O=C(CCl)N[C@H]1CCS(=O)(=O)C1 3866165 NMYROJFXBFTDBK-YFKPBYRVSA-N 211.670 -0.472 50 50 BBGA in-vitro Cc1ccc(-n2cc(B(O)O)cn2)cc1 169903773 KQNRHNWJXQJCRY-UHFFFAOYSA-N 202.022 -0.139 50 50 BBGA in-vitro Cc1cc(C)n(Cn2ccc(C(=O)NN)n2)n1 2535149 PPTUQKNITQUTLZ-UHFFFAOYSA-N 234.263 -0.194 50 50 BBGA C[C@H]1C(=O)NN=C1C(=O)N/N=C/c1cccnc1 100572854 GZOLVTFEAUJTJO-NRLRWNIESA-N 245.242 -0.346 50 50 BBGA CNC(=S)NNC(=O)c1cc(C)nn1C 374677 DCVBRHHIOJOUJC-UHFFFAOYSA-N 227.293 -0.533 50 50 BBGA NNC(=O)[C@@H](c1ccncc1)N1CCOCC1 40457277 DZVNLSOBXGRISK-SNVBAGLBSA-N 236.275 -0.555 50 50 BBGA OB(O)c1ccc(N2CCCCC2)nc1 169794743 FPXBTJSTSXJJBK-UHFFFAOYSA-N 206.054 -0.248 50 50 BBGA in-vitro COc1ncc(B(O)O)cc1C(F)(F)F 204917764 XQWLEOMVXZZEFU-UHFFFAOYSA-N 220.943 -0.211 50 50 BBGA in-vitro O=C1NCCN(C(=O)CCl)[C@H]1C1CC1 1875367930 ALEHWVOXUUCVOC-QMMMGPOBSA-N 216.668 -0.038 50 50 BBGA OB(O)c1ccc(OC[C@@H]2CCOC2)cc1 169926450 ZIGFFVANMXQZLE-SECBINFHSA-N 222.049 -0.218 50 50 BBGA in-vitro CNC(=S)Nc1ccc(B(O)O)cc1 169903968 AWHSCCURKGKPHK-UHFFFAOYSA-N 210.067 -0.717 50 50 BBGA in-vitro O=C(CCl)NCC(O)CNC(=O)CCl 1689385 OVIWEMMMWRKKNH-UHFFFAOYSA-N 243.090 -0.943 50 50 BBGA COc1ncc(Cl)c(B(O)O)c1OC 169955250 ULFBXDQPYQISEH-UHFFFAOYSA-N 217.417 -0.568 50 50 BBGA C[C@H](Cn1cc([N+](=O)[O-])cn1)C(=O)NN 2534383 VIBQWSKYALQFNI-RXMQYKEDSA-N 213.197 -0.583 50 50 BBGA C[C@@]1(C(=O)NN)Oc2ccccc2NC1=O 4073009 GGEWBVRIKVFBPN-SNVBAGLBSA-N 221.216 -0.234 50 50 BBGA CNC(=O)c1ccc(B(O)O)cc1Cl 169745402 UDPDTEGKPHZNES-UHFFFAOYSA-N 213.429 -0.621 50 50 BBGA in-vitro CC(=O)NNC(=O)CNC(=O)OC(C)(C)C 202177653 IJQRYEPGZZLZEY-UHFFFAOYSA-N 231.252 -0.322 50 50 BBGA CC(C)N1CCN(c2ccc(B(O)O)cc2)CC1 203631473 FEVVCYFDIXHZAT-UHFFFAOYSA-N 248.135 -0.103 50 50 BBGA O=C(CCl)NNC(=O)C(F)(F)F 8731346 DYKIVKLXFDNBMY-UHFFFAOYSA-N 204.535 -0.065 50 50 BBGA in-vitro C[C@H](CS(=O)(=O)CCCl)C(N)=O 3121683 UIPUDJWUPAWJEL-RXMQYKEDSA-N 213.686 -0.239 50 50 BBGA CCOC(=O)c1cc(B(O)O)cs1 169806844 FIVYXNYCQWBICR-UHFFFAOYSA-N 200.024 -0.395 50 50 BBGA in-vitro CCOC(=O)C(=N/O)/C(C)=N/NC(=O)CC#N 4955692 LKAGRAHBXBUTNL-YVYWCIMDSA-N 240.219 -0.215 50 50 BBGA O=S(=O)(Nc1cccc(B(O)O)c1)C1CC1 169809161 KOKPMJFSMXUSJJ-UHFFFAOYSA-N 241.077 -0.730 50 50 BBGA in-vitro OB(O)c1cnc(O)c(C(F)(F)F)c1 238635149 FTNSVQKTQNKOHC-UHFFFAOYSA-N 206.916 -0.514 50 50 BBGA OB(O)c1cc(N2CCCC2)ncc1F 238641608 RULBJCFMLRZOCL-UHFFFAOYSA-N 210.017 -0.499 50 50 BBGA O=C1NCCN(C(=O)CCl)[C@@H]1C1CC1 1875367929 ALEHWVOXUUCVOC-MRVPVSSYSA-N 216.668 -0.038 50 50 BBGA O=C1C[C@@H]2[C@H]3C[C@@H](C(=O)OC3=O)[C@@H]2C(=O)O1 215654417 QVEIRZNRYOJFCL-FNKGTGPASA-N 224.168 -0.588 50 50 BBGA in-vitro C[C@@H](Cl)C(=O)NC[C@@H]1CC(C(N)=O)=NO1 1875377852 PFIZUURFHUBASC-UHNVWZDZSA-N 233.655 -0.640 50 50 BBGA CCn1cnc2cc(B(O)O)c(F)cc21 170001301 BVMYUHACENTXSF-UHFFFAOYSA-N 208.001 -0.125 50 50 BBGA OB(O)c1ccc(OCCn2cccn2)cc1 169794571 VRRYQSUOVORFOD-UHFFFAOYSA-N 232.048 -0.358 50 50 BBGA OB(O)c1cc(Br)cc2c1OCO2 169746242 IYXFZDKGXKBASE-UHFFFAOYSA-N 244.837 -0.142 50 50 BBGA CCCOC(=O)c1ccc(B(O)O)cc1 169744941 XJEONFAJOXSZDX-UHFFFAOYSA-N 208.022 -0.067 50 50 BBGA in-vitro CCOC(=O)c1cc(B(O)O)cc([N+](=O)[O-])c1 169745565 JTIBFRZYCUDXOK-UHFFFAOYSA-N 238.992 -0.549 50 50 BBGA in-vitro OB(O)c1ccc(OCCN2CCCC2)cc1 169903973 CUQZAOZUFZWFPM-UHFFFAOYSA-N 235.092 -0.159 50 50 BBGA CC(=O)[C@H]1C(=O)OC(=O)[C@H](C(C)=O)C1=O 100732078 QXEVSCSWJUZNSA-PHDIDXHHSA-N 212.157 -0.951 50 50 BBGA N#Cc1cc(B(O)O)ccc1N1CCOCC1 170001824 LVFMJSMMUCOKOR-UHFFFAOYSA-N 232.048 -0.925 50 50 BBGA O=C1CC[C@H]2CN(C(=O)CCl)C[C@H]2N1 1875368124 SDSLJSUYBAQJSU-NKWVEPMBSA-N 216.668 -0.038 50 50 BBGA CCOC(=O)c1cc(F)ccc1B(O)O 169744775 VSELXAYSUUQLOU-UHFFFAOYSA-N 211.985 -0.318 50 50 BBGA CCNC(=O)c1cc(B(O)O)ccc1Cl 169745097 YMJAUMCTGHBWQK-UHFFFAOYSA-N 227.456 -0.231 50 50 BBGA in-vitro COC(=O)c1cc(OC)c(OC)cc1B(O)O 169794733 CELMPXWFMDIKQI-UHFFFAOYSA-N 240.020 -0.830 50 50 BBGA in-vitro C[C@H](O)CN(C)S(=O)(=O)CBr 127424056 YQSWHRJFLBOASH-YFKPBYRVSA-N 246.126 -0.019 50 50 BBGA CC(=O)OCCN/C=C(\C#N)S(C)(=O)=O 826657265 URWKFFSDYUTMIL-SOFGYWHQSA-N 232.261 -0.451 50 50 BBGA NNC(=O)Cn1nc(-c2ccccc2)ccc1=O 71769118 OFVYWOLUQRXFHF-UHFFFAOYSA-N 244.254 -0.100 50 50 BBGA Cn1c(=O)c(C(=O)NN)c(O)c2ccccc21 100498540 UJVPTHJMCJYAKU-UHFFFAOYSA-N 233.227 -0.152 50 50 BBGA O=C(CCl)N[C@@H]1C[C@@H](O)[C@@H]1n1cccn1 1875375971 KXLHCBHWZLXGEF-ZXFLCMHBSA-N 229.667 -0.088 50 50 BBGA CC(C)CNC(=O)c1ccc(B(O)O)cc1 169745409 DUBSEAOPNSRHHN-UHFFFAOYSA-N 221.065 -0.248 50 50 BBGA in-vitro COC(=O)c1c(OC)cccc1B(O)O 169935136 AEICUNBBGBPHDP-UHFFFAOYSA-N 209.994 -0.838 50 50 BBGA CC(=O)N/N=C(/C(=O)NN)c1ccccc1 33921649 GMMXCUJVWPKZDL-NTEUORMPSA-N 220.232 -0.483 50 50 BBGA CO[Si](CCCNCCN)(OC)OC 169743116 PHQOGHDTIVQXHL-UHFFFAOYSA-N 222.361 -0.197 50 50 BBGA CC(C)Oc1ccc(B(O)O)cc1C=O 169903728 MFWMHBLPARKSLU-UHFFFAOYSA-N 208.022 -0.034 50 50 BBGA Cc1ccc(S(=O)(=O)NNC(N)=O)cc1 5781578 VRFNYSYURHAPFL-UHFFFAOYSA-N 229.261 -0.143 50 50 BBGA CCN(CC)C(=O)N(N)[C@@H]1CCS(=O)(=O)C1 757129337 VQXQFYGVFLQPBT-MRVPVSSYSA-N 249.336 -0.189 50 50 BBGA CC(C)(C)OC(=O)c1ccc(B(O)O)o1 169988576 BNJXSNWWSPMGLY-UHFFFAOYSA-N 212.010 -0.085 50 50 BBGA COC(=O)c1cccc(B(O)O)c1OC 170010407 YUUSYICBNQHHNZ-UHFFFAOYSA-N 209.994 -0.838 50 50 BBGA C[C@@H](c1ccc(B(O)O)s1)N1CCOCC1 309512389 QVPAWFPRCLZVRY-QMMMGPOBSA-N 241.121 -0.179 50 50 BBGA COC(=O)c1sc(C)cc1B(O)O 1772572531 WQVDJNORDVFLKS-UHFFFAOYSA-N 200.024 -0.477 50 50 BBGA CCOc1ccc(C(=O)O)cc1B(O)O 169978240 CMUVOHRXIPPHFW-UHFFFAOYSA-N 209.994 -0.537 50 50 BBGA COC(=O)c1ccc(Cl)c(B(O)O)c1 169745660 LZMDHZSRUQKDFI-UHFFFAOYSA-N 214.413 -0.194 50 50 BBGA in-vitro NNC(=O)[C@H]1C(=O)NC[C@@H]1c1ccccc1 340278 MWJRJUUIBZWZBQ-RKDXNWHRSA-N 219.244 -0.494 50 50 BBGA CCCOc1cc(C=O)cc(B(O)O)c1 169746670 MPQVVDQADAGQCM-UHFFFAOYSA-N 208.022 -0.032 50 50 BBGA in-vitro C[C@H](Cl)C(=O)N[C@@]1(C(N)=O)CCCOC1 1875377930 RMVREFDRDOSJND-RCOVLWMOSA-N 234.683 -0.236 50 50 BBGA COc1nc2ccccc2cc1B(O)O 169810354 WLOYLJRUEIVOJC-UHFFFAOYSA-N 203.006 -0.077 50 50 BBGA in-vitro CCOC(=O)NNC(=O)[C@@H]1CCCN1 236905792 UECKHERBSQWMDP-LURJTMIESA-N 201.226 -0.484 50 50 BBGA CN(C[C@@H](O)CCl)S(=O)(=O)O 2586605 QYCCIVDFILYJMF-BYPYZUCNSA-N 203.647 -0.679 50 50 BBGA CCOC(=O)c1ccc(B(O)O)cc1OC 169747935 KJSHXBOKHSXLJP-UHFFFAOYSA-N 224.021 -0.448 50 50 BBGA in-vitro CCC(=O)NNC(=O)CCC(=O)OC 64037998 IEUZFBBWYZDDRJ-UHFFFAOYSA-N 202.210 -0.503 50 50 BBGA C[C@H](C(=O)NN)S(=O)(=O)c1ccccc1 4290652 PBEHFANEAMNSRJ-SSDOTTSWSA-N 228.273 -0.161 50 50 BBGA C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NN 2556563 YTYJVAWYZBLUFS-RITPCOANSA-N 233.268 -0.750 50 50 BBGA in-vitro Cc1cc(B(O)O)cnc1Br 169743780 IPCXBKSYMWZLBR-UHFFFAOYSA-N 215.843 -0.168 50 50 BBGA NNC(=O)[C@@H]1C(=O)NC[C@H]1c1ccccc1 340277 MWJRJUUIBZWZBQ-IUCAKERBSA-N 219.244 -0.494 50 50 BBGA OB(O)c1ccc(O[C@@H]2CCOC2)cc1 169921128 UFIRHIKFYGAQSK-SNVBAGLBSA-N 208.022 -0.466 50 50 BBGA in-vitro CN1N=C(CNC(=O)CCl)CC1=O 1875365797 GGWYZKDXKCJPNL-UHFFFAOYSA-N 203.629 -0.441 50 50 BBGA CO/N=C1\CCc2cc(B(O)O)ccc21 196258548 UVWBADYWXYEXEE-ZRDIBKRKSA-N 205.022 -0.337 50 50 BBGA OB(O)c1ccccc1N1CCOCC1 169794696 ICRHNMKDEVGGGH-UHFFFAOYSA-N 207.038 -0.797 50 50 BBGA in-vitro O=C(O)/C=C\C(=O)NNC(=O)[C@@H]1CC12CCC2 100291169 KDZSFSOTBYQCCC-XDVGHUOJSA-N 238.243 -0.035 50 50 BBGA OB(O)c1ccc(CNC2CC2)cc1F 169955510 KJXGWKJDSBWTSC-UHFFFAOYSA-N 209.029 -0.243 50 50 BBGA CCOC(=O)COc1ccc(B(O)O)cc1 169745477 MECJJOCHJYCOJS-UHFFFAOYSA-N 224.021 -0.692 50 50 BBGA in-vitro CCS(=O)(=O)Nc1ccc(B(O)O)cc1 169794740 DFGZKFSYJUXPOK-UHFFFAOYSA-N 229.066 -0.872 50 50 BBGA in-vitro NC(=O)c1cc(C(F)(F)F)ccc1B(O)O 169934073 ZWBKNYWCDCOBOW-UHFFFAOYSA-N 232.954 -0.516 50 50 BBGA CCCNC(=O)Cc1ccc(B(O)O)cc1 169934058 OVUKJQVGEINYRX-UHFFFAOYSA-N 221.065 -0.565 50 50 BBGA in-vitro NNC(=O)c1[nH]c(=O)c2ccccc2c1O 18265636 CGUFEFMECHJRBI-UHFFFAOYSA-N 219.200 -0.163 50 50 BBGA O=C(N/N=C1/CNCCN1)C(F)(F)F 22010516 RKIDLJBEMIARHI-UHFFFAOYSA-N 210.159 -0.829 50 50 BBGA in-vitro CC(C)n1nnc2cc(B(O)O)c(F)cc21 170001654 FKWGDNBMAYZGOS-UHFFFAOYSA-N 223.016 -0.169 50 50 BBGA OB(O)c1cc(F)c(F)c(N2CCOCC2)c1 230537608 UGEHYGVQNISVFA-UHFFFAOYSA-N 243.018 -0.519 50 50 BBGA CCCCS(=O)(=O)c1ccc(B(O)O)cc1 169904941 YGBYIKCBEZABIT-UHFFFAOYSA-N 242.105 -0.060 50 50 BBGA in-vitro CCOc1cc(B(O)O)c(Br)cn1 169745061 RLPXRCAGOQMYBN-UHFFFAOYSA-N 245.869 -0.077 50 50 BBGA in-vitro COC(=O)c1cc(B(O)O)c(F)cc1F 1772572505 ADCJCQMKOKKEPB-UHFFFAOYSA-N 215.948 -0.569 50 50 BBGA C[C@@H](Br)C(=O)NCC(=O)O 1635536 WNPRTSMRNZDFHL-GSVOUGTGSA-N 210.027 -0.029 50 50 BBGA in-vitro OB(O)c1cccc(CN2CCSCC2)c1 169926287 UBNZLWFFSWDGTG-UHFFFAOYSA-N 237.133 -0.085 50 50 BBGA COC(=O)/C=C/c1cccc(B(O)O)c1 169745100 DZTWTEGVKAHSGN-AATRIKPKSA-N 206.006 -0.447 50 50 BBGA in-vitro NNC(=O)COc1ccc2c(c1)OCO2 6335398 NRQLPJMIINRJGJ-UHFFFAOYSA-N 210.189 -0.216 50 50 BBGA in-vitro CC(=O)O[C@@H]1CS(=O)(=O)C[C@@H]1Cl 1722835 RTTWIOWKOBUYCF-NTSWFWBYSA-N 212.654 -0.046 50 50 BBGA COCOc1ccc(C#N)cc1B(O)O 169933864 BUHZZHJTWFVDGW-UHFFFAOYSA-N 206.994 -0.779 50 50 BBGA CCOCCOc1ccc(C=O)cc1B(O)O 169978111 KBPWBNQDOVMNJB-UHFFFAOYSA-N 238.048 -0.406 50 50 BBGA CCCOC(=O)c1cccc(B(O)O)c1 169745325 BSCFVVVAJINDLA-UHFFFAOYSA-N 208.022 -0.067 50 50 BBGA in-vitro Cc1cc(C(=O)NNC(=O)C2CC2)[nH]n1 586773 WRHDMGDTBVCPSY-UHFFFAOYSA-N 208.221 -0.111 50 50 BBGA OB(O)c1cc(Cl)cc2nccnc12 170001163 DQAGQNALNWQXMA-UHFFFAOYSA-N 208.413 -0.037 50 50 BBGA O=C(CBr)ON1C(=O)CCC1=O 2522700 NKUZQMZWTZAPSN-UHFFFAOYSA-N 236.021 -0.012 50 50 BBGA in-vitro Cn1c(=O)c2[nH]c(CCCl)nc2n(C)c1=O 3130441 MWPXFDPJSZRYPX-UHFFFAOYSA-N 242.666 -0.258 50 50 BBGA CC(C)(C)OC(=O)NCCC(=O)NN 40448983 IEQUZNXTFVGDPD-UHFFFAOYSA-N 203.242 -0.109 50 50 BBGA in-vitro OC[C@@](O)(Br)[C@@H](O)Br 44559947 YBRWXUOZWZIXST-GBXIJSLDSA-N 249.886 -0.225 50 50 BBGA CCOCc1cc(OC)c(B(O)O)c(OC)c1 195989233 BCMKFWFNEMRLOO-UHFFFAOYSA-N 240.064 -0.080 50 50 BBGA C=CC(=O)Nc1ccc(F)c(B(O)O)c1 170019524 AHJCZDBIRPOOHT-UHFFFAOYSA-N 208.985 -0.370 50 50 BBGA CN(C)C(=O)N(N)[C@H]1CCS(=O)(=O)C1 757127982 OJHLDYRQWLSZGQ-LURJTMIESA-N 221.282 -0.969 50 50 BBGA CN(C)C(=O)c1cc(F)cc(B(O)O)c1 169745111 PSLVFPXQNCQCCY-UHFFFAOYSA-N 211.001 -0.793 50 50 BBGA in-vitro OB(O)c1ccc2c(c1Cl)OCO2 238648033 UTYXAXODQACACN-UHFFFAOYSA-N 200.386 -0.252 50 50 BBGA CNC(=S)NNC(=O)CC(OC)OC 3181125 ZYCJYPPUISHWQY-UHFFFAOYSA-N 221.282 -0.880 50 50 BBGA OB(O)c1c(Cl)ccc2c1OCO2 725326522 OJUBGVPJUUYQRE-UHFFFAOYSA-N 200.386 -0.252 50 50 BBGA OB(O)c1ccc(Br)nc1 169743781 BCYWDUVHAPHGIP-UHFFFAOYSA-N 201.816 -0.476 50 50 BBGA in-vitro CC(C)NC(=O)C(=O)NN=C1CCN(C)CC1 55433757 VDXMTOCAOCMPIS-UHFFFAOYSA-N 240.307 -0.291 50 50 BBGA O=C(O)c1cc(Cl)ccc1B(O)O 169745058 RENDEFHQQIYNJL-UHFFFAOYSA-N 200.386 -0.282 50 50 BBGA O=C(NC1CC1)c1cccc(B(O)O)c1F 169747247 RPJJVCOYLPAZSB-UHFFFAOYSA-N 223.012 -0.602 50 50 BBGA OB(O)c1ccccc1OCCCl 169951728 BLWFPPCZGFUNAW-UHFFFAOYSA-N 200.430 -0.016 50 50 BBGA C[P@@](=O)(O)OCCC[Si](O)(O)O 170154653 HDUNVICUTAZXTE-UHFFFAOYSA-N 216.202 -0.876 50 50 BBGA OB(O)c1c(F)ncc(F)c1Br 1772575844 SRHVPVNTBWHQJR-UHFFFAOYSA-N 237.796 -0.198 50 50 BBGA N#C/C(=N\Nc1cccc([N+](=O)[O-])c1)C(=O)NN 333092 VPTLUSVGUIJHNJ-RIYZIHGNSA-N 248.202 -0.124 50 50 BBGA COC(=O)c1cc(B(O)O)c(Cl)cc1OC 169746690 ZIGSNYKPLGZLDR-UHFFFAOYSA-N 244.439 -0.185 50 50 BBGA in-vitro CCOC(=O)COc1cccc(B(O)O)c1 169747487 KJVPNIFNXDECMJ-UHFFFAOYSA-N 224.021 -0.692 50 50 BBGA in-vitro COc1ccc(B(O)O)c(CN(C)C)c1 203571150 JOIFRZNMPKSLKS-UHFFFAOYSA-N 209.054 -0.563 50 50 BBGA COc1nn([C@@H](C)C(=O)NN)cc1[N+](=O)[O-] 1012108 LEHCLOYKPOCRRA-BYPYZUCNSA-N 229.196 -0.649 50 50 BBGA C[C@@H](c1cccc(B(O)O)c1)N1CCOCC1 230543343 BOELVXGEIYBQOT-JTQLQIEISA-N 235.092 -0.240 50 50 BBGA OB(O)c1ccc(O[C@H]2CCOC2)cc1 169921131 UFIRHIKFYGAQSK-JTQLQIEISA-N 208.022 -0.466 50 50 BBGA in-vitro OB(O)c1cc(F)ccc1OC[C@H]1CCOC1 169926461 ISHHPIKLPAYAEH-QMMMGPOBSA-N 240.039 -0.079 50 50 BBGA in-vitro CC(=O)O[C@H]1CS(=O)(=O)C[C@H]1Cl 4304384 RTTWIOWKOBUYCF-RITPCOANSA-N 212.654 -0.046 50 50 BBGA Nc1cc(B(O)O)cc(C(=O)N2CCCCC2)c1 169978000 KIDYBWZPMWBKDJ-UHFFFAOYSA-N 248.091 -0.425 50 50 BBGA CC(C)CS(=O)(=O)c1cccc(B(O)O)c1 170001742 NTIQVMZJSPCTIT-UHFFFAOYSA-N 242.105 -0.204 50 50 BBGA C/C(NCCCC(=O)O)=C(/C#N)C(N)=O 20827619 UJBCLKWSOJJQRW-VOTSOKGWSA-N 211.221 -0.276 50 50 BBGA CC(C)NS(=O)(=O)c1cccc(B(O)O)c1 169745756 KCJMBNYQVZPTRG-UHFFFAOYSA-N 243.093 -0.947 50 50 BBGA in-vitro CC(C)(C)NC(=O)c1ccc(B(O)O)cc1 169743951 JAIIZPWLCVMPFA-UHFFFAOYSA-N 221.065 -0.105 50 50 BBGA CCOC(=O)c1cn2cc(B(O)O)c(C)cc2n1 514287132 QUHUCDAHGJFIGA-UHFFFAOYSA-N 248.047 -0.501 50 50 BBGA O=C(O)c1ccc(B(O)O)c(F)c1F 169746454 GBSLWLRHCRIIKW-UHFFFAOYSA-N 201.921 -0.657 50 50 BBGA COC(=O)c1cc(B(O)O)cc(Cl)n1 170002696 PYPCHEPNKZCWDM-UHFFFAOYSA-N 215.401 -0.799 50 50 BBGA COC(COc1ccc(B(O)O)cc1)OC 169844671 BLHYLZZAGHDVLN-UHFFFAOYSA-N 226.037 -0.636 50 50 BBGA in-vitro COc1c([N+](=O)[O-])cc(F)c(F)c1B(O)O 675050366 DJZNHLQUELCRIO-UHFFFAOYSA-N 232.935 -0.439 50 50 BBGA COc1ccc(OCC#N)c(B(O)O)c1 170001064 FCDVMGKTKUWTSR-UHFFFAOYSA-N 206.994 -0.723 50 50 BBGA Cc1c(-c2cc(C(=O)NN)no2)cnn1C 2552513 VIYGVPBZHOWJDH-UHFFFAOYSA-N 221.220 -0.013 50 50 BBGA NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 12138162 GXKUFHXQPDLDQA-SSDOTTSWSA-N 223.232 -0.382 50 50 BBGA CCCNC(=O)c1cc(F)cc(B(O)O)c1 169745581 OCNHZZPUTQZYID-UHFFFAOYSA-N 225.028 -0.355 50 50 BBGA in-vitro CC(C)CC(=O)N(N)[C@H]1CCS(=O)(=O)C1 757129306 VGOBLJKRKUYDQL-QMMMGPOBSA-N 234.321 -0.078 50 50 BBGA NNC(=O)[C@H](c1ccncc1)N1CCOCC1 40457276 DZVNLSOBXGRISK-JTQLQIEISA-N 236.275 -0.555 50 50 BBGA CCCCNC(=O)c1ccc(B(O)O)cc1 169745028 YPXNMPMFCXGXPU-UHFFFAOYSA-N 221.065 -0.104 50 50 BBGA in-vitro CC1CCN(c2cc(B(O)O)ccn2)CC1 230525043 KEIYKJCXQNMUGX-UHFFFAOYSA-N 220.081 -0.002 50 50 BBGA OC[C@@](O)(Br)[C@H](O)Br 44559951 YBRWXUOZWZIXST-HRFVKAFMSA-N 249.886 -0.225 50 50 BBGA OB(O)c1ccccc1CN1CCSCC1 169904828 PTMSIHHLEIKCOO-UHFFFAOYSA-N 237.133 -0.085 50 50 BBGA in-vitro O=C1C[C@H]2C(=O)C[C@H]1[C@H]1C(=O)OC(=O)[C@H]21 100880014 DOEBRZGMLPHNHL-UIPKGFOGSA-N 208.169 -0.520 50 50 BBGA CCOC(=O)CCc1cccc(B(O)O)c1 169743924 RTJGTDXOUMFFRS-UHFFFAOYSA-N 222.049 -0.138 50 50 BBGA in-vitro CCOc1c(OC)ccc(B(O)O)c1F 169951608 QERDQGGEVQJWKL-UHFFFAOYSA-N 214.001 -0.087 50 50 BBGA COC(=O)c1ccc2cc(B(O)O)[nH]c2c1 169746415 NRUMZMTTWWXRDD-UHFFFAOYSA-N 219.005 -0.366 50 50 BBGA in-vitro C=C(C)C(=O)Nc1cccc(B(O)O)c1 169747743 GBBUBIKYAQLESK-UHFFFAOYSA-N 205.022 -0.119 50 50 BBGA in-vitro CCN1CCN(c2ccc(B(O)O)c(C)n2)CC1 170001804 OTQBKOQHSBPCCR-UHFFFAOYSA-N 249.123 -0.788 50 50 BBGA O=C(NC1CC1)c1cccc(B(O)O)c1 169743920 ACYLEYDBPWXTIO-UHFFFAOYSA-N 205.022 -0.741 50 50 BBGA in-vitro CC(C)(C)CNCc1cncc(B(O)O)c1 206449531 IAJZSCXQXDBTNJ-UHFFFAOYSA-N 222.097 -0.103 50 50 BBGA OB(O)c1cc(F)ccc1OC[C@@H]1CCOC1 169926458 ISHHPIKLPAYAEH-MRVPVSSYSA-N 240.039 -0.079 50 50 BBGA in-vitro COc1ccc(NC(=O)C(=O)NN)cc1 2025699 ICHSLEPUZVJIRS-UHFFFAOYSA-N 209.205 -0.376 50 50 BBGA O=C1OC(=O)[C@@H]2C[C@H]3C(=O)OC(=O)[C@@H]3C[C@H]12 100004170 LJMPOXUWPWEILS-KAZBKCHUSA-N 224.168 -0.588 50 50 BBGA in-vitro COC(=O)c1ccc(B(O)O)c(Cl)c1 169745619 ITEQHBSWRMYSRP-UHFFFAOYSA-N 214.413 -0.194 50 50 BBGA in-vitro O=C(NC[C@H]1CCCO1)c1ccc(B(O)O)cc1 169904643 BAQWKOHCDPHSRV-LLVKDONJSA-N 249.075 -0.725 50 50 BBGA in-vitro O=S1(=O)C[C@@H](Br)[C@H](O)C1 3865578 JUROXLRSVVHUOG-QWWZWVQMSA-N 215.068 -0.461 50 50 BBGA in-vitro OCc1cc(B(O)O)ccc1OC(F)(F)F 169978263 HPVFPMGLKKFBIQ-UHFFFAOYSA-N 235.954 -0.243 50 50 BBGA CC(C)OC(=O)N(N)[C@H]1CCS(=O)(=O)C1 757129645 YCEHVJDDXKULDH-ZETCQYMHSA-N 236.293 -0.106 50 50 BBGA C[C@H](O)C(=O)N/N=C1\C(=O)Nc2ccccc21 4771173 TZYHLQQALRZIJG-LURJTMIESA-N 233.227 -0.160 50 50 BBGA COC(=O)CCc1ccc(B(O)O)cc1 169745761 XRKIHUXCUIFHAS-UHFFFAOYSA-N 208.022 -0.528 50 50 BBGA in-vitro CCNC(=S)Nc1cccc(B(O)O)c1 169903805 XBGBWHPPZYSGNM-UHFFFAOYSA-N 224.094 -0.327 50 50 BBGA CCc1nnc(-c2cccc(B(O)O)c2)o1 170001521 HVNURJYWWWLPAD-UHFFFAOYSA-N 218.021 -0.021 50 50 BBGA CC(=O)N/N=C/c1c[n+]([O-])c2ccccc2[n+]1[O-] 101264926 FGCNQVQZKOVOID-WUXMJOGZSA-N 246.226 -0.423 50 50 BBGA CCOC(=O)c1ccsc1B(O)O 195893349 PNZRRDAJSUVYCN-UHFFFAOYSA-N 200.024 -0.395 50 50 BBGA COC(=O)c1cccc2cc(B(O)O)cnc12 1772572504 XEQBBXSLVZMKAK-UHFFFAOYSA-N 231.016 -0.299 50 50 BBGA CC1(c2cccc(B(O)O)c2)OCCO1 169743940 NSDRSKQWUQJUAE-UHFFFAOYSA-N 208.022 -0.414 50 50 BBGA in-vitro O=C(c1ccc(B(O)O)cc1)N1CCSC1 169745591 RMOBLFQUVHBXKX-UHFFFAOYSA-N 237.089 -0.487 50 50 BBGA C=C(C)C(=O)N(N)[C@@H]1CCS(=O)(=O)C1 757129637 XZHZBGVHZQHCEX-SSDOTTSWSA-N 218.278 -0.548 50 50 BBGA O=C(O)/C=C\C(=O)NNC(=O)[C@H]1CC12CCC2 100291167 KDZSFSOTBYQCCC-SKRYNEFJSA-N 238.243 -0.035 50 50 BBGA O=C1CCN(Cc2ccccc2B(O)O)CC1 169852406 FIUCWBGMMCBNJU-UHFFFAOYSA-N 233.076 -0.469 50 50 BBGA in-vitro Cc1nc(-c2cccc(B(O)O)c2)no1 169934013 KVUASKRUUOTZQN-UHFFFAOYSA-N 203.994 -0.275 50 50 BBGA in-vitro O=C(CCl)N1CCN([C@@H]2COC[C@H]2O)CC1 1875370380 MRCTUCOUBOUGQC-RKDXNWHRSA-N 248.710 -0.871 50 50 BBGA NNC(=O)CNc1cccc([N+](=O)[O-])c1 153718 ZJLQXOCLNXQNPU-UHFFFAOYSA-N 210.193 -0.003 50 50 BBGA CCCn1cnc2cc(C#N)cc(B(O)O)c21 170001704 XLQGDWSDGSLEEF-UHFFFAOYSA-N 229.048 -0.002 50 50 BBGA O=C(O)/C=C/C(=O)NNC(=O)c1cccnc1 1751688 PMTJSWVYLYQGEU-ONEGZZNKSA-N 235.199 -0.517 50 50 BBGA in-vitro NNC(=O)COc1ncn(-c2ccccc2)n1 2508528 ZQCMVUZFERDCQI-UHFFFAOYSA-N 233.231 -0.364 50 50 BBGA O=C(O)c1cc(Cl)cc(B(O)O)c1 169747936 DLAUXSOHALWWDR-UHFFFAOYSA-N 200.386 -0.282 50 50 BBGA in-vitro COC(=O)c1ccc(B(O)O)cc1OC 169743636 YCXPWNGIPLGCOJ-UHFFFAOYSA-N 209.994 -0.838 50 50 BBGA in-vitro CCN(CC)C(=O)c1cc(F)cc(B(O)O)c1 169745065 PWFQDNPXVAYCOK-UHFFFAOYSA-N 239.055 -0.013 50 50 BBGA in-vitro COc1ncc(B(O)O)c2ccccc12 675050795 ZFOQECPSWCRGBI-UHFFFAOYSA-N 203.006 -0.077 50 50 BBGA NNC(=O)C(=O)NCc1ccc(F)cc1 2798370 KCWOCORBJGFVOL-UHFFFAOYSA-N 211.196 -0.568 50 50 BBGA Cc1c([N+](=O)[O-])cc(B(O)O)cc1[N+](=O)[O-] 169744845 DTWIWVTWNMEZOL-UHFFFAOYSA-N 225.953 -0.509 50 50 BBGA OB(O)c1cnn(Cc2ccncc2)c1 169904573 CFVKZRLVYHPZLH-UHFFFAOYSA-N 203.010 -0.994 50 50 BBGA in-vitro COc1c(F)cc(F)c(B(O)O)c1F 169877284 RDORBPOVXUMTLU-UHFFFAOYSA-N 205.928 -0.208 50 50 BBGA in-vitro O=C(NC1CC1)c1cc(B(O)O)ccc1F 230548815 RFPZSWXIIAPJOC-UHFFFAOYSA-N 223.012 -0.602 50 50 BBGA Cc1nn([C@@H](C)C(=O)NN)cc1[N+](=O)[O-] 2731893 ROUYCFUPMQOKSR-YFKPBYRVSA-N 213.197 -0.349 50 50 BBGA CCCn1nnc2cc(C#N)cc(B(O)O)c21 170001707 YDRFYIXFSDUNNJ-UHFFFAOYSA-N 230.036 -0.607 50 50 BBGA CC(C)CS(=O)(=O)c1ccccc1B(O)O 170001738 LKIDCWYZAFPDGH-UHFFFAOYSA-N 242.105 -0.204 50 50 BBGA OB(O)c1cc(Cl)cnc1N1CCOCC1 169955671 FWGIXQYYIUKTKR-UHFFFAOYSA-N 242.471 -0.749 50 50 BBGA Cc1cnn(-c2ccc(B(O)O)cc2)c1 223252578 INGCSWUCSJQHMV-UHFFFAOYSA-N 202.022 -0.139 50 50 BBGA CC(C)OC(=O)c1ccc(B(O)O)cc1 169743980 NIQHFKWRHJZMQU-UHFFFAOYSA-N 208.022 -0.068 50 50 BBGA in-vitro CN(C)C(=O)CC1(NC(=O)CCl)COC1 1875377935 RNWCVUXSBNGOJK-UHFFFAOYSA-N 234.683 -0.411 50 50 BBGA Nc1nnnn1CC(=O)N/N=C/c1ccccc1 344853 KVDZCCHCVRYQKF-WUXMJOGZSA-N 245.246 -0.594 50 50 BBGA CCN1CCN(Cc2ccccc2B(O)O)CC1 199014174 WLVYWZAGOGWEBO-UHFFFAOYSA-N 248.135 -0.496 50 50 BBGA O=C1C[C@H]2[C@H](C(=O)O1)[C@H]1C[C@H]2C(=O)OC1=O 100070498 QVEIRZNRYOJFCL-WYWMIBKRSA-N 224.168 -0.588 50 50 BBGA in-vitro CCCc1nnc(-c2cncc(B(O)O)c2)o1 170001618 CQUVQDSWEVZXKK-UHFFFAOYSA-N 233.036 -0.236 50 50 BBGA O=C(NC1CC1)c1cc(B(O)O)ccc1Cl 169745101 AZBIVGURALLESY-UHFFFAOYSA-N 239.467 -0.088 50 50 BBGA in-vitro NNC(=O)CNC(=O)COc1ccccc1 2451341 OESKTENPTZIOQY-UHFFFAOYSA-N 223.232 -0.829 50 50 BBGA CC(C)CNC(=O)c1cc(B(O)O)ccc1F 169744018 VEMUZEFNPKXHHF-UHFFFAOYSA-N 239.055 -0.109 50 50 BBGA CC(C)(C)OC(=O)c1cncc(B(O)O)c1 169989553 MDJIOQIEIHFNNZ-UHFFFAOYSA-N 223.037 -0.283 50 50 BBGA COC(=O)/C=C/c1ccc(B(O)O)cc1 169743944 BIKAXBPCHWDATP-QPJJXVBHSA-N 206.006 -0.447 50 50 BBGA in-vitro COC(=O)c1cc(Cl)cc(B(O)O)c1 169746610 XRIPARKZRWXMTC-UHFFFAOYSA-N 214.413 -0.194 50 50 BBGA in-vitro O=C(CNC1CCCC1)N1CCC[C@@H]1B(O)O 169933845 FWAIOMYEQWSGSO-SNVBAGLBSA-N 240.112 -0.478 50 50 BBGA O=[S@](c1ccc(B(O)O)cc1)C1CC1 169905007 UVAFNQYMJVLTNA-CQSZACIVSA-N 210.063 -0.364 50 50 BBGA in-vitro CNC(=O)c1ccc(Cl)c(B(O)O)c1 169744578 YTEOTIIPHSQWBH-UHFFFAOYSA-N 213.429 -0.621 50 50 BBGA CC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 3123318 RBFSQFYPHHXRMU-WDSKDSINSA-N 211.670 -0.473 50 50 BBGA C/C(=N/N)c1c(C)[nH]c(C(=O)NN)c1C 55483830 BQNWPEHYNXXFOJ-MLPAPPSSSA-N 209.253 -0.082 50 50 BBGA COC[C@H](C)Oc1cccc(B(O)O)c1 169966164 MLNIQZJIZKQIPX-QMMMGPOBSA-N 210.038 -0.220 50 50 BBGA in-vitro COC(=O)C1(c2ccc(F)c(B(O)O)c2)CC1 169934766 ALKIONORIVSKPI-UHFFFAOYSA-N 238.023 -0.290 50 50 BBGA O=C(N[C@@H](CO)C(=O)O)C(Cl)Cl 1615332 POBGWTZPKSVJFM-REOHCLBHSA-N 216.020 -0.648 50 50 BBGA COC(=O)c1c(B(O)O)c(C)n(C)c1C 1857787256 AZJLYKVPQFLQDF-UHFFFAOYSA-N 211.026 -0.892 50 50 BBGA CN(C)C(=O)c1ccc(B(O)O)cc1F 169745126 KEZPQOGKDGNRHH-UHFFFAOYSA-N 211.001 -0.793 50 50 BBGA in-vitro CCOC(=O)c1cc(C(=O)NN)c(=O)[nH]c1C 13570682 PSDMYEDFKXIFKG-UHFFFAOYSA-N 239.231 -0.536 50 50 BBGA NNC(=O)Cc1n[nH]c(=O)c2ccccc12 17322733 LRYHCCVJXQEMLN-UHFFFAOYSA-N 218.216 -0.545 50 50 BBGA N#Cc1c(B(O)O)cccc1N1CCCC1 170001444 STSNFMWBSGYFIX-UHFFFAOYSA-N 216.049 -0.162 50 50 BBGA CCNC(=O)c1ccc(Cl)c(B(O)O)c1 169744119 DMGHPINNRPYVQQ-UHFFFAOYSA-N 227.456 -0.231 50 50 BBGA Cc1cc(B(O)O)ccc1S(C)(=O)=O 170001587 MNXHZJUIACFVQC-UHFFFAOYSA-N 214.051 -0.922 50 50 BBGA Cc1c(Br)cnn1CC(=O)NN 2549480 RQVZOCPQRISWAJ-UHFFFAOYSA-N 233.069 -0.056 50 50 BBGA CC(C)(C)C(=O)N(N)[C@H]1CCS(=O)(=O)C1 757128971 SEPAQXSAWOAYMR-ZETCQYMHSA-N 234.321 -0.078 50 50 BBGA OB(O)c1ccc(N2CCCC2)nc1F 242547817 KTWHCDNUGZCOGL-UHFFFAOYSA-N 210.017 -0.499 50 50 BBGA C[C@H](Cl)C(=O)NC[C@@H]1COC(=O)N1 1875376130 MZZJORXTSLOWMC-CRCLSJGQSA-N 206.629 -0.162 50 50 BBGA NNC(=O)c1ccn(Cn2cccn2)n1 2535148 DUHOIFPGBWKRPB-UHFFFAOYSA-N 206.209 -0.811 50 50 BBGA OB(O)c1cnc(N2CCCCCC2)nc1 169955661 WENRCARGBBHMMC-UHFFFAOYSA-N 221.069 -0.463 50 50 BBGA OB(O)c1cc(O)ccc1OC(F)(F)F 169904703 GRXHOVJTALGZII-UHFFFAOYSA-N 221.927 -0.029 50 50 BBGA CC(=O)N[C@H]1CS(=O)(=O)C[C@H]1Cl 4566302 RBFSQFYPHHXRMU-RITPCOANSA-N 211.670 -0.473 50 50 BBGA N=C(N)NNC(=O)C(F)(F)c1ccccn1 261494820 JOONLRFRCWJECU-UHFFFAOYSA-N 229.190 -0.312 50 50 BBGA O=C1OC(=O)[C@@H]2C[C@H]3C(=O)OC(=O)[C@@H]3C[C@@H]12 100004169 LJMPOXUWPWEILS-KVTDHHQDSA-N 224.168 -0.588 50 50 BBGA Cn1nccc1-c1ccc(B(O)O)cc1 169963220 YPHZJQOHWGFTAA-UHFFFAOYSA-N 202.022 -0.233 50 50 BBGA in-vitro O=C1C[C@@H](N(C(=O)CCl)C2CC2)C(=O)N1 1253962989 HFOCEKQXVNCBAV-ZCFIWIBFSA-N 230.651 -0.369 50 50 BBGA CN(C)CCOc1ccc(B(O)O)cc1Cl 230547839 VRLUXBZKTHGGAY-UHFFFAOYSA-N 243.499 -0.040 50 50 BBGA CCN(CC)C(=O)c1cc(B(O)O)ccc1F 169745475 CINQYDGBDNUJIH-UHFFFAOYSA-N 239.055 -0.013 50 50 BBGA in-vitro O=[N+]([O-])c1cc(F)c(F)cc1B(O)O 169745643 CAHNMXZHYNLNCI-UHFFFAOYSA-N 202.909 -0.447 50 50 BBGA in-vitro NN(C(=O)N1CCOCC1)C1CCOCC1 757131408 KESMVSDPMKVMJW-UHFFFAOYSA-N 229.280 -0.207 50 50 BBGA COc1cc2ccc(B(O)O)cc2cn1 169809986 AUBLJKQWJXVCLT-UHFFFAOYSA-N 203.006 -0.077 50 50 BBGA in-vitro COC(=O)c1ccc(B(O)O)cc1Cl 169743927 DJOMWLVGTUQULT-UHFFFAOYSA-N 214.413 -0.194 50 50 BBGA in-vitro CCNC(=O)c1cc(F)cc(B(O)O)c1 169743973 YCRHKPHOICFFEB-UHFFFAOYSA-N 211.001 -0.745 50 50 BBGA in-vitro NC(=O)C1CCN(C(=O)CCl)CC1 112512 OFKMNEOSQMJCJZ-UHFFFAOYSA-N 204.657 -0.051 50 50 BBGA in-vitro OB(O)c1ccccc1I 169748168 MGUDXXNWLVGZIF-UHFFFAOYSA-N 247.828 -0.029 50 50 BBGA OC[C@](O)(Br)[C@H](O)Br 44559953 YBRWXUOZWZIXST-STHAYSLISA-N 249.886 -0.225 50 50 BBGA CC(C)(C)OC(=O)N1CC(C(=O)NN)C1 44682134 IOXCKRNGHYJOAQ-UHFFFAOYSA-N 215.253 -0.157 50 50 BBGA in-vitro COc1cc(B(O)O)cc(C(F)(F)F)n1 203794949 ZGPJQGHMUXHGFB-UHFFFAOYSA-N 220.943 -0.211 50 50 BBGA CNC(=S)Nc1cccc(B(O)O)c1 169903844 BRXUVOXFWKMDPA-UHFFFAOYSA-N 210.067 -0.717 50 50 BBGA in-vitro CNC(=O)Nc1ccc(B(O)O)cc1C 405133460 IBZOIHCUKYNYSY-UHFFFAOYSA-N 208.026 -0.574 50 50 BBGA COCC(=O)NNC(=S)NC[C@H]1CCCO1 5041188 LSDZHZHQNDFDCD-SSDOTTSWSA-N 247.320 -0.693 50 50 BBGA COC(=O)C(C)(C)c1cccc(B(O)O)c1 170010432 FMTPWBWRDGHGGK-UHFFFAOYSA-N 222.049 -0.183 50 50 BBGA NCc1cc(B(O)O)cc(C(F)(F)F)c1 170015161 FYAMICWNHSSFPQ-UHFFFAOYSA-N 218.971 -0.156 50 50 BBGA C[C@@H](Cl)C(=O)NC[C@H]1COC(=O)N1 1875376132 MZZJORXTSLOWMC-UHNVWZDZSA-N 206.629 -0.162 50 50 BBGA OB(O)c1ccc(Br)nc1F 169810504 YUGZMJMNGRGYRZ-UHFFFAOYSA-N 219.806 -0.337 50 50 BBGA in-vitro CC(C)NCCOc1ccc(B(O)O)cc1F 230552807 VZXAAHZOYPURJV-UHFFFAOYSA-N 241.071 -0.118 50 50 BBGA O=C(CCl)NC1CC2(CNC(=O)O2)C1 1875378188 WVMMAYMGFVMVMM-UHFFFAOYSA-N 218.640 -0.018 50 50 BBGA COC(=O)c1cc(F)c(F)c(B(O)O)c1 216700839 KHRAKJPXWZQQRU-UHFFFAOYSA-N 215.948 -0.569 50 50 BBGA CN(CC(=O)NN)S(=O)(=O)c1ccccc1 1439786 XKZUCRCBDVCPQG-UHFFFAOYSA-N 243.288 -0.703 50 50 BBGA O=C(O)c1c(F)cc(B(O)O)cc1F 169748087 AWIXNRNZROUJQB-UHFFFAOYSA-N 201.921 -0.657 50 50 BBGA in-vitro CC(C)NC(=O)c1ccc(B(O)O)cc1F 169744003 DZWRVLZSUCBLOK-UHFFFAOYSA-N 225.028 -0.356 50 50 BBGA in-vitro CN(C)/C=C(\C#N)C(=O)N1CCOCC1 1775972900 BMDSZDDUUMGADC-CMDGGOBGSA-N 209.249 -0.186 50 50 BBGA CC(=O)O[C@@H]1CS(=O)(=O)C[C@H]1Cl 4304381 RTTWIOWKOBUYCF-PHDIDXHHSA-N 212.654 -0.046 50 50 BBGA C[C@H](c1ccc(B(O)O)cc1)N1CCC(O)CC1 230552164 ZCSPNOXEDFIRNM-SNVBAGLBSA-N 249.119 -0.116 50 50 BBGA CC(=O)C(C)(C)[C@]1(C#N)C(=O)NC(N)=C1C#N 257540332 CPULBMJIBAULGH-NSHDSACASA-N 232.243 -0.065 50 50 BBGA C[C@@H](Cl)C(=O)N[C@@H]1COC[C@@H]1n1ccnn1 1875375820 JEPCGONNFOMUHT-PRJMDXOYSA-N 244.682 -0.039 50 50 BBGA CC(C)CS(=O)(=O)c1ccc(B(O)O)cc1 169904931 WGYQGDKMBFOTGS-UHFFFAOYSA-N 242.105 -0.204 50 50 BBGA in-vitro O=C(N[C@H](CO)C(=O)O)C(Cl)Cl 2015649 POBGWTZPKSVJFM-UWTATZPHSA-N 216.020 -0.648 50 50 BBGA COc1cc(B(O)O)ccc1OCCN(C)C 204250720 LMWBUDWPWKHDLY-UHFFFAOYSA-N 239.080 -0.685 50 50 BBGA O=c1[nH]nc(SC[C@H](O)CCl)c(=O)[nH]1 1232020 ZJONYFXJMCHKKJ-GSVOUGTGSA-N 237.668 -0.850 50 50 BBGA CN1CCN(Cc2cccc(B(O)O)c2)CC1 169748171 NGSHSQFNJGUKCF-UHFFFAOYSA-N 234.108 -0.886 50 50 BBGA in-vitro CC(C)C(=O)N(N)[C@H]1CCS(=O)(=O)C1 757125807 BIYMYGWBASXLDW-ZETCQYMHSA-N 220.294 -0.468 50 50 BBGA CCc1nc(-c2cccc(B(O)O)c2)no1 169964708 PJKLYGGFHUZTEP-UHFFFAOYSA-N 218.021 -0.021 50 50 BBGA N#Cc1cc(N2CCOCC2)ccc1B(O)O 255188667 KRXOZNCWIYGKAI-UHFFFAOYSA-N 232.048 -0.925 50 50 BBGA CCN(CC)C(=O)c1cccc(B(O)O)c1F 169744678 DAQMDUIVKQVUMR-UHFFFAOYSA-N 239.055 -0.013 50 50 BBGA O=C(NCc1ccco1)c1cccc(B(O)O)c1 169745654 BYRIHRGFMYXTLC-UHFFFAOYSA-N 245.043 -0.111 50 50 BBGA in-vitro CN(C)CCOc1cc(B(O)O)ccc1Cl 169934518 BHSHKCFCHGIRGG-UHFFFAOYSA-N 243.499 -0.040 50 50 BBGA in-vitro CC(C)[S@@](=O)c1cccc(B(O)O)c1 170001177 CTYZDUWFPMOWPU-CQSZACIVSA-N 212.079 -0.118 50 50 BBGA CCOc1ccc(B(O)O)c(OCC)n1 169747871 HTELBRAIBMTDOF-UHFFFAOYSA-N 211.026 -0.441 50 50 BBGA in-vitro O=C(NCCCCl)c1ccc(B(O)O)cc1 169745107 UYNOFJBHOAQAKS-UHFFFAOYSA-N 241.483 -0.275 50 50 BBGA in-vitro COc1ccc2nccc(B(O)O)c2n1 169969404 JQLATOUDNCHYBB-UHFFFAOYSA-N 203.994 -0.682 50 50 BBGA CCOc1nccc(B(O)O)c1Cl 169951663 XKWNVKMBQHHEHS-UHFFFAOYSA-N 201.418 -0.187 50 50 BBGA COc1c(F)cc(B(O)O)c(C)c1F 169955263 INITXGASRQPIOH-UHFFFAOYSA-N 201.965 -0.038 50 50 BBGA COc1cncc(Br)c1B(O)O 169917347 OXIFBQMTJUAUNR-UHFFFAOYSA-N 231.842 -0.468 50 50 BBGA in-vitro O=[N+]([O-])c1ccc(F)c(B(O)O)c1F 169744774 SPEDPBJIXAVPMJ-UHFFFAOYSA-N 202.909 -0.447 50 50 BBGA in-vitro O=C(CCl)NCCN1CCCS1(=O)=O 405952570 TXKHWSBHHLZZNT-UHFFFAOYSA-N 240.712 -0.623 50 50 BBGA CC(C)(C)OC(=O)n1nccc1B(O)O 169747598 BMAIJKCROWPJPY-UHFFFAOYSA-N 212.014 -0.654 50 50 BBGA in-vitro CNC(=S)NNC(=O)c1cc(C)[nH]n1 6412786 XRGBQECFWXQGTM-UHFFFAOYSA-N 213.266 -0.543 50 50 BBGA OB(O)c1cccc(CCN2CCOCC2)c1 230536552 RKLMLQQXSGIRFE-UHFFFAOYSA-N 235.092 -0.759 50 50 BBGA O=C1CC[C@H]2CN(C(=O)CCl)C[C@@H]2N1 1875368123 SDSLJSUYBAQJSU-BQBZGAKWSA-N 216.668 -0.038 50 50 BBGA CC(C)(C)NC(=O)c1cccc(B(O)O)c1 169743953 MAFLCTFKZXDGGQ-UHFFFAOYSA-N 221.065 -0.105 50 50 BBGA in-vitro CCc1nc(-c2ccccc2B(O)O)no1 170001516 IBUUXEJTVQNCGT-UHFFFAOYSA-N 218.021 -0.021 50 50 BBGA Cc1nc2cc(B(O)O)c(F)c(F)c2n1C 170001892 OAIVUKCPQRRAEI-UHFFFAOYSA-N 225.991 -0.160 50 50 BBGA OB(O)c1cccc(OC[C@H]2CCCO2)c1 169922499 XHBQGDCQKFEOMC-LLVKDONJSA-N 222.049 -0.076 50 50 BBGA O=[S@@](CC1CC1)c1ccc(B(O)O)cc1 169904947 LVSXKKKBVXTPSI-HNNXBMFYSA-N 224.090 -0.116 50 50 BBGA in-vitro C[C@H](c1ccc(B(O)O)s1)N1CCOCC1 309512378 QVPAWFPRCLZVRY-MRVPVSSYSA-N 241.121 -0.179 50 50 BBGA COCCOc1nc(C)ccc1B(O)O 1772572570 JOXBAZDOYSJMJM-UHFFFAOYSA-N 211.026 -0.905 50 50 BBGA NNC(=O)CCn1ncc2ccccc2c1=O 2544827 QTHBJDZTQYQRFX-UHFFFAOYSA-N 232.243 -0.224 50 50 BBGA CC(C)NC(=O)c1ccc(B(O)O)c(F)c1 169744614 JXZCNXRBLIECAF-UHFFFAOYSA-N 225.028 -0.356 50 50 BBGA CCOc1c(C=O)cc(C)cc1B(O)O 169888204 PICMLDFIWSDJPE-UHFFFAOYSA-N 208.022 -0.114 50 50 BBGA in-vitro NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 1845445 HWTXGJCHJRRKNS-UHFFFAOYSA-N 242.147 -0.188 50 50 BBGA in-vitro COc1ccc(OC)c(NC(=O)C(=O)NN)c1 2025704 DOJBBJZBOJFOJF-UHFFFAOYSA-N 239.231 -0.368 50 50 BBGA O=C(OCc1ccccc1)n1nccc1B(O)O 263624742 TVQHMDAZASMXKY-UHFFFAOYSA-N 246.031 -0.252 50 50 BBGA O=C(CCCCl)NCCC[Si](O)(O)O 675072805 MQYWKYQZKJKXTG-UHFFFAOYSA-N 241.747 -0.573 50 50 BBGA COC(=O)c1cc(B(O)O)cc(F)c1F 169904790 WIQXVGIUPPVTHA-UHFFFAOYSA-N 215.948 -0.569 50 50 BBGA in-vitro Cn1cnc2cc(C#N)cc(B(O)O)c21 170001472 BLMPCVGSSOXHAQ-UHFFFAOYSA-N 200.994 -0.875 50 50 BBGA CN(C)c1ncc(B(O)O)cc1Cl 230554660 FNBJTOCRUIQLOQ-UHFFFAOYSA-N 200.434 -0.519 50 50 BBGA OB(O)c1cc(N2CCCCC2)ncc1F 309381267 XZQCYZSEZIGPAI-UHFFFAOYSA-N 224.044 -0.109 50 50 BBGA CC(=O)Nc1ccc([N+](=O)[O-])c(B(O)O)c1 169745142 VDKGDBOETDSECW-UHFFFAOYSA-N 223.981 -0.767 50 50 BBGA O=S(=O)(Nc1ccc(B(O)O)cc1)C1CC1 169903957 RYFOEMWOTGVANV-UHFFFAOYSA-N 241.077 -0.730 50 50 BBGA in-vitro O=C(O)c1ccc(Br)c(B(O)O)c1 206144073 JUJQJPLPACWWKJ-UHFFFAOYSA-N 244.837 -0.173 50 50 BBGA O=C1CCN(Cc2ccc(B(O)O)cc2)CC1 230525260 UFGRDEVLEYOMPU-UHFFFAOYSA-N 233.076 -0.469 50 50 BBGA Cc1cc(C2(C(=O)O)CC2)ccc1B(O)O 169964760 GNYDSCKYOPJKTK-UHFFFAOYSA-N 220.033 -0.209 50 50 BBGA in-vitro CC(C)n1nnc2cc(B(O)O)c(F)c(F)c21 170001993 MRUJFPSHBZHJQH-UHFFFAOYSA-N 241.006 -0.030 50 50 BBGA O=C(CCl)NCc1nnnn1C1CC1 1319785486 DJDHGLWMSSEIHZ-UHFFFAOYSA-N 215.644 -0.137 50 50 BBGA OB(O)c1ccc(Oc2ncccn2)cc1 170001676 IYVBBCMPZLTFPJ-UHFFFAOYSA-N 216.005 -0.051 50 50 BBGA N=C(N)NNC(=O)c1cc([N+](=O)[O-])ccc1F 953126706 PITSUWPDLIBTNT-UHFFFAOYSA-N 241.182 -0.138 50 50 BBGA O=C(O)c1ccc(B(O)O)c(F)c1Cl 1772572533 XPYHCXJHPBDJPA-UHFFFAOYSA-N 218.376 -0.143 50 50 BBGA C[C@@H](Br)C(=O)N[C@@H](CO)C(=O)O 1575456 FZCUZRSQHFPZKG-DMTCNVIQSA-N 240.053 -0.669 50 50 BBGA in-vitro CCOC(=O)c1ccc(F)cc1B(O)O 169748154 DIHBRMAJVXAIOE-UHFFFAOYSA-N 211.985 -0.318 50 50 BBGA CCN1CCN(c2ccc(B(O)O)cc2)CC1 170025633 KYFGXBKGJHCISI-UHFFFAOYSA-N 234.108 -0.492 50 50 BBGA O=S(=O)(c1cccc(B(O)O)c1)C1CC1 169935193 GDGRCJSXOCMCCT-UHFFFAOYSA-N 226.062 -0.698 50 50 BBGA in-vitro OB(O)c1cc(Br)ccc1O 169745629 XSXTWLOHAGPBNO-UHFFFAOYSA-N 216.827 -0.166 50 50 BBGA N#Cc1ncc(B(O)O)cc1C(F)(F)F 170001350 DMAFMRXBENNIJI-UHFFFAOYSA-N 215.927 -0.348 50 50 BBGA OB(O)c1ccc(N2CCOCC2)c(F)c1F 242463720 DIFBNSJBFKOGPB-UHFFFAOYSA-N 243.018 -0.519 50 50 BBGA CCOC(=O)CN/C(C)=C(\C#N)C(N)=O 4043057 LYWHTKUULPJNEQ-VOTSOKGWSA-N 211.221 -0.578 50 50 BBGA NC(=S)NNC(=O)COc1ccccc1 39879 LCJZPHKZSTWNQU-UHFFFAOYSA-N 225.273 -0.070 50 50 BBGA COCCOc1c(F)cc(B(O)O)c(C)c1F 169955403 PAHKAOHONFWRRE-UHFFFAOYSA-N 246.018 -0.022 50 50 BBGA COC(=O)c1cc(B(O)O)c(Cl)cc1F 169746598 XAEGZJJQEKHVDK-UHFFFAOYSA-N 232.403 -0.055 50 50 BBGA in-vitro CCn1cc(B(O)O)c(C(F)(F)F)n1 170002556 ONQLQTCDZMHNEU-UHFFFAOYSA-N 207.948 -0.398 50 50 BBGA COCCOCc1ccccc1B(O)O 169926345 XZPRANQGQMHIFV-UHFFFAOYSA-N 210.038 -0.471 50 50 BBGA in-vitro CCN(C)C(=O)c1ccc(B(O)O)c(F)c1 169744641 UJSORFNSZVADTI-UHFFFAOYSA-N 225.028 -0.403 50 50 BBGA CCc1nn(C)c2cc(B(O)O)ccc12 170001356 SOCIHGXQYGZADQ-UHFFFAOYSA-N 204.038 -0.185 50 50 BBGA O=C(O)c1cccc(B(O)O)c1Cl 169746574 YYPCOIKUZIKPGL-UHFFFAOYSA-N 200.386 -0.282 50 50 BBGA OB(O)c1cnc(N2CCOCC2)c(Cl)c1 228897284 MWNZQPQVKHVBEP-UHFFFAOYSA-N 242.471 -0.749 50 50 BBGA CC(C)(NC(=O)CCl)c1noc(C(N)=O)n1 1875364657 POSHLIWGKOGYOP-UHFFFAOYSA-N 246.654 -0.241 50 50 BBGA NNC(=O)C1=CNC(=O)N[C@H]1c1ccccc1 20198588 LXIGTIWGYGDBGM-VIFPVBQESA-N 232.243 -0.086 50 50 BBGA O=C(NC1CC1)c1ccc(B(O)O)cc1F 169746397 HXTFTZYMPDZCQF-UHFFFAOYSA-N 223.012 -0.602 50 50 BBGA in-vitro Cn1ccnc1-c1ccc(B(O)O)cc1 169747742 XVYZCKFKLYMRCG-UHFFFAOYSA-N 202.022 -0.233 50 50 BBGA O=[N+]([O-])c1cc(B(O)O)c([N+](=O)[O-])s1 169988573 PWEOLFDEXPOHGM-UHFFFAOYSA-N 217.955 -0.756 50 50 BBGA Cn1ccc(-c2cccc(B(O)O)c2)n1 407947227 LLCVGIRUXJWSJJ-UHFFFAOYSA-N 202.022 -0.233 50 50 BBGA COCCOCc1ccc(F)cc1B(O)O 203184702 DTQLLLGBSKKXFL-UHFFFAOYSA-N 228.028 -0.332 50 50 BBGA CC(=O)c1ccc(B(O)O)c([N+](=O)[O-])c1 169934327 KERWITSFOARJGF-UHFFFAOYSA-N 208.966 -0.523 50 50 BBGA in-vitro C[C@H](Cl)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 3287121 BFRSUNXCACCUHG-BYPYZUCNSA-N 245.666 -0.524 50 50 BBGA CCN(C)C(=O)c1cccc(B(O)O)c1 169745281 WVUBMQPFOZJFAA-UHFFFAOYSA-N 207.038 -0.542 50 50 BBGA in-vitro COCCOCc1ccc(B(O)O)cc1 169926347 SYIVZVYGGAFFDT-UHFFFAOYSA-N 210.038 -0.471 50 50 BBGA in-vitro CN(C)CCOc1ccc(B(O)O)cc1F 203575902 WIRZCZXOJWPDTM-UHFFFAOYSA-N 227.044 -0.554 50 50 BBGA OB(O)c1cncc(OC(F)(F)F)c1 206048398 BITCKTNTOZHVSE-UHFFFAOYSA-N 206.916 -0.340 50 50 BBGA O=C1OC(=O)[C@H]2[C@@H]1[C@@H]1C=C[C@H]2[C@H]2C(=O)OC(=O)[C@H]12 100048322 XLOGCGOPKPCECW-PPOMMRCSSA-N 248.190 -0.566 50 50 BBGA in-vitro OB(O)c1ccc(N2CCOCC2)cc1 169743691 WHDIUBHAKZDSJL-UHFFFAOYSA-N 207.038 -0.797 50 50 BBGA in-vitro CCOC(=O)Cc1ccc(B(O)O)cc1 169743631 RDIRUZGSOKLANG-UHFFFAOYSA-N 208.022 -0.528 50 50 BBGA in-vitro CCN(CC)C(=O)c1cc(N)cc(B(O)O)c1 169747436 RUYLWOWCZAYZCC-UHFFFAOYSA-N 236.080 -0.569 50 50 BBGA NNC(=O)c1cc(=O)n2ccsc2n1 6658043 JPQATWUNXPZTLZ-UHFFFAOYSA-N 210.218 -0.641 50 50 BBGA O=C(O)C1(c2ccc(B(O)O)cc2)CC1 169746186 PUBSPRJVEBBDPX-UHFFFAOYSA-N 206.006 -0.517 50 50 BBGA in-vitro OB(O)c1cc(Cl)ccc1N1CCOCC1 252487776 IBMYZJKPFWQQSY-UHFFFAOYSA-N 241.483 -0.144 50 50 BBGA COCC(=O)N1CC(C)(NC(=O)CCl)C1 1875376807 JFKYHVYZWVOMJD-UHFFFAOYSA-N 234.683 -0.411 50 50 BBGA OB(O)c1ccc(N2CCOCC2)c(F)c1 169964864 JCGKJBDGVMLWBG-UHFFFAOYSA-N 225.028 -0.658 50 50 BBGA in-vitro CC(C)Oc1cc(C=O)cc(B(O)O)c1 169746666 TYKYVLDAFDKFHV-UHFFFAOYSA-N 208.022 -0.034 50 50 BBGA in-vitro NNC(=O)c1cccc(-n2cnnn2)c1 4343566 GLNNRMCFYOOQSC-UHFFFAOYSA-N 204.193 -0.734 50 50 BBGA in-vitro OB(O)c1ccc(OC2CCOCC2)cc1 169965872 REFMZRSECYWYKZ-UHFFFAOYSA-N 222.049 -0.076 50 50 BBGA O=C(NC1CC1)c1cc(F)cc(B(O)O)c1 230545683 KSFXSEQZRYWUJP-UHFFFAOYSA-N 223.012 -0.602 50 50 BBGA CCS(=O)(=O)c1cccc(B(O)O)c1 169747746 YGPHBSVMNUNGBH-UHFFFAOYSA-N 214.051 -0.840 50 50 BBGA in-vitro C[C@@H](NC(=O)CCl)c1nnnn1C 1347736612 ZKAYEVOYEYZZDK-SCSAIBSYSA-N 203.633 -0.374 50 50 BBGA CC(C)C(=O)Nc1ccc(B(O)O)cc1 169745151 DBWRRIVRDITVFV-UHFFFAOYSA-N 207.038 -0.039 50 50 BBGA in-vitro N#Cc1cc(B(O)O)ccc1N1CCCC1 170001684 TUWQXPBXVHMPFO-UHFFFAOYSA-N 216.049 -0.162 50 50 BBGA CCCNS(=O)(=O)c1ccc(B(O)O)cc1 198720851 KXZCLGBIAGNAGS-UHFFFAOYSA-N 243.093 -0.945 50 50 BBGA OB(O)c1ccc(OC[C@H]2CCOC2)cc1 169926454 ZIGFFVANMXQZLE-VIFPVBQESA-N 222.049 -0.218 50 50 BBGA in-vitro C[N+](C)(C)CC(=O)NNC=C1C=CC=NC1=N 2325809573 KSSNHBUMVOZKBP-UHFFFAOYSA-O 236.299 -0.185 50 50 BBGA COC(=O)/C=C/c1ccccc1B(O)O 169745449 WUEIYHVPDHJGLC-VOTSOKGWSA-N 206.006 -0.447 50 50 BBGA in-vitro OB(O)c1cccc(CN2CCOCC2)c1 169748233 VTSDPGUSDVMXDN-UHFFFAOYSA-N 221.065 -0.801 50 50 BBGA in-vitro CC(C)CC(=O)N(N)[C@@H]1CCS(=O)(=O)C1 757129303 VGOBLJKRKUYDQL-MRVPVSSYSA-N 234.321 -0.078 50 50 BBGA CS(=O)(=O)/C(C#N)=C/Nc1nc[nH]n1 826657260 BWPJLSVATIHIGB-HWKANZROSA-N 213.222 -0.374 50 50 BBGA CNC(=O)C(=O)N/N=C/c1ccccc1O 2025178 RKZZWDNGSPPUSL-WUXMJOGZSA-N 221.216 -0.412 50 50 BBGA CCS(=O)(=O)N1CCC(C(=O)NN)CC1 4294091 ZIEVBSDHYJCRJW-UHFFFAOYSA-N 235.309 -0.962 50 50 BBGA O=C(CCl)N[C@@H]1C=CS(=O)(=O)C1 3882582 PMGOLXUFJBBKQZ-RXMQYKEDSA-N 209.654 -0.348 50 50 BBGA CC1(C)OB(c2ccc(B(O)O)o2)OC1(C)C 169746671 MFYILWZIMRTJPE-UHFFFAOYSA-N 237.857 -0.741 50 50 BBGA CN(C)S(=O)(=O)c1cccc(C(=O)NN)c1 3885870 PDYSBCAKDARVOS-UHFFFAOYSA-N 243.288 -0.460 50 50 BBGA C[C@@H](O)C(=O)N/N=C1\C(=O)Nc2ccccc21 4771183 TZYHLQQALRZIJG-ZCFIWIBFSA-N 233.227 -0.160 50 50 BBGA C/C(NCCN1CCOCC1)=C(\C#N)C(N)=O 435445 PNZMCJKILUZHPH-KTKRTIGZSA-N 238.291 -0.809 50 50 BBGA Cc1nccn1-c1cccc(B(O)O)n1 169968716 WBYDEDQTWOGCIV-UHFFFAOYSA-N 203.010 -0.744 50 50 BBGA Cc1ccc(S(C)(=O)=O)cc1B(O)O 224682092 IGAQXCNZVCRVFX-UHFFFAOYSA-N 214.051 -0.922 50 50 BBGA N[C@H](CSSC[C@@H](N)C(=O)O)C(=O)O 1529200 LEVWYRKDKASIDU-QWWZWVQMSA-N 240.306 -0.808 50 50 BBGA endogenous,in-vitro CNC(=O)c1cc(B(O)O)ccc1Cl 169745468 SYZZWFMATUWETK-UHFFFAOYSA-N 213.429 -0.621 50 50 BBGA in-vitro OB(O)c1cccc(Br)n1 169858357 AUOJYGQPHHRLAO-UHFFFAOYSA-N 201.816 -0.476 50 50 BBGA in-vitro OB(O)c1ccc(Cn2cccn2)cc1 195810348 XIYRZIBHPJLCKG-UHFFFAOYSA-N 202.022 -0.389 50 50 BBGA CCOC(=O)NNC(=O)[C@H]1CCCN1 236905998 UECKHERBSQWMDP-ZCFIWIBFSA-N 201.226 -0.484 50 50 BBGA OB(O)c1ccc(Cl)cc1N1CCOCC1 169951594 MGPDOLRPUJLIED-UHFFFAOYSA-N 241.483 -0.144 50 50 BBGA O=C(NC[C@@H]1CCCO1)c1ccc(B(O)O)cc1 169904639 BAQWKOHCDPHSRV-NSHDSACASA-N 249.075 -0.725 50 50 BBGA in-vitro COC(=O)c1ccc(B(O)O)c(F)c1F 169934828 DNIOTHIAVRFCFK-UHFFFAOYSA-N 215.948 -0.569 50 50 BBGA CCCOC(=O)N(N)[C@@H]1CCS(=O)(=O)C1 757129113 SQKIHOMRVPWNKT-SSDOTTSWSA-N 236.293 -0.104 50 50 BBGA OB(O)c1cc(O)cc(OC(F)(F)F)c1 169794739 WYDLDYUQPJRETJ-UHFFFAOYSA-N 221.927 -0.029 50 50 BBGA in-vitro COc1cc(C(=O)O)cc(B(O)O)c1F 170019510 STKMIIIMOBFOMQ-UHFFFAOYSA-N 213.957 -0.788 50 50 BBGA OB(O)c1ccc(CC(F)(F)F)nc1 169993494 AHBQIJFNXQLAIJ-UHFFFAOYSA-N 204.944 -0.134 50 50 BBGA COc1nccc(B(O)O)c1Br 169903788 QOSVTTKSAVKBFO-UHFFFAOYSA-N 231.842 -0.468 50 50 BBGA CN(C)C(=O)c1ccc(F)c(B(O)O)c1 169745060 BCTHFQUQSOEPDW-UHFFFAOYSA-N 211.001 -0.793 50 50 BBGA COc1nc(Br)ccc1B(O)O 169994378 XLWPUDBRICQBLE-UHFFFAOYSA-N 231.842 -0.468 50 50 BBGA O=C(O)c1cc(B(O)O)ccc1OC(F)(F)F 169955244 HOQWULMXJNHMDR-UHFFFAOYSA-N 249.937 -0.037 50 50 BBGA COCCOCc1cc(B(O)O)ccc1F 230527368 KEOGDVXPRLDNPW-UHFFFAOYSA-N 228.028 -0.332 50 50 BBGA NNC(=O)[C@@H]1C(=O)NC[C@@H]1c1ccccc1 340273 MWJRJUUIBZWZBQ-BDAKNGLRSA-N 219.244 -0.494 50 50 BBGA O=C1OC(=O)[C@H]2C[C@H]3C(=O)OC(=O)[C@H]3C[C@H]12 100286940 LJMPOXUWPWEILS-OMMKOOBNSA-N 224.168 -0.588 50 50 BBGA in-vitro O=C1C[C@@H]2[C@H](C(=O)O1)[C@H]1C[C@H]2C(=O)OC1=O 100070493 QVEIRZNRYOJFCL-OHKRPGQBSA-N 224.168 -0.588 50 50 BBGA in-vitro COC(=O)c1ccc(B(O)O)c(OC)c1 169994792 SHLWOAANDCXUKI-UHFFFAOYSA-N 209.994 -0.838 50 50 BBGA in-vitro NN(C(=O)C1CCC1)[C@@H]1CCS(=O)(=O)C1 757129411 WPLZWIUDYCLZQP-MRVPVSSYSA-N 232.305 -0.324 50 50 BBGA OB(O)c1ccncc1Br 169747899 KGJJYDKVEPQIKZ-UHFFFAOYSA-N 201.816 -0.476 50 50 BBGA in-vitro CC(C)COc1ccc(B(O)O)c(F)n1 169934456 DCGFHOBITCSMGI-UHFFFAOYSA-N 213.017 -0.065 50 50 BBGA NNC(=O)Cn1nnc(-c2ccccc2)n1 83965 WCWGCMVQLJYKCB-UHFFFAOYSA-N 218.220 -0.670 50 50 BBGA in-vitro Cc1csc([C@](C)(O)C(=O)NN)n1 114280272 JWNBIPXBENICMO-SSDOTTSWSA-N 201.251 -0.351 50 50 BBGA Cc1cc([N+](=O)[O-])nn1[C@H](C)C(=O)NN 2537610 ZHILFGNQBQWTNG-RXMQYKEDSA-N 213.197 -0.349 50 50 BBGA CCOc1cc(B(O)O)ccc1S(C)(=O)=O 170001834 KHGXHUNBFWXLGH-UHFFFAOYSA-N 244.077 -0.831 50 50 BBGA COCCOCc1cc(F)ccc1B(O)O 230533834 KWBUPMDKOPDWQR-UHFFFAOYSA-N 228.028 -0.332 50 50 BBGA O=C(CO)N/N=C/c1ccc(O)cc1O 22018814 CCYZPJLCXAHPKA-ONNFQVAWSA-N 210.189 -0.460 50 50 BBGA CCNC(=O)c1ccc(B(O)O)c(Cl)c1 169744190 BEIPFBJNFYAOJR-UHFFFAOYSA-N 227.456 -0.231 50 50 BBGA O=C(c1cc(B(O)O)ccc1F)N1CCCC1 169745336 AOICJNUBSAKHMW-UHFFFAOYSA-N 237.039 -0.259 50 50 BBGA in-vitro O=C(CCl)NC[C@@H]1CCS(=O)(=O)N1 1875367308 TVJYIXVXTOQNSD-YFKPBYRVSA-N 226.685 -0.967 50 50 BBGA C[Si](C)(C)c1csc(B(O)O)c1 199255127 WLXMZPGASQPIKZ-UHFFFAOYSA-N 200.144 -0.027 50 50 BBGA in-vitro CCN(CC)C(=O)c1ccccc1B(O)O 169745412 TULUDWZVHWOWHZ-UHFFFAOYSA-N 221.065 -0.152 50 50 BBGA in-vitro CN(CC(=O)N1CCC(O)CC1)C(=O)CCl 1875374827 GOIHWCRKBRQZMM-UHFFFAOYSA-N 248.710 -0.333 50 50 BBGA C[C@@H](Cl)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 3287122 BFRSUNXCACCUHG-SCSAIBSYSA-N 245.666 -0.524 50 50 BBGA NN(C(=O)N1CCOCC1)c1ncccn1 757126967 IXFSMLMPNNUADH-UHFFFAOYSA-N 223.236 -0.391 50 50 BBGA OB(O)c1c(F)cc(C2OCCO2)cc1F 169748176 GTBJZTQCEQYQLQ-UHFFFAOYSA-N 229.975 -0.310 50 50 BBGA Cc1cnn(-c2cccc(B(O)O)c2)c1 223252653 ALUPGYPYXASNLN-UHFFFAOYSA-N 202.022 -0.139 50 50 BBGA COC(=O)c1ccc(OCC(=O)NN)cc1 2562065 HOMUQCJVDZDTNP-UHFFFAOYSA-N 224.216 -0.158 50 50 BBGA CC1=CC2=C(C=O)C(=O)[C@](C)(O)[C@@H](O)C2=CO1 5160195 QVMUHZHZYCDMAI-RYUDHWBXSA-N 236.223 -0.006 50 50 BBGA endogenous,in-man C[C@H](Cl)C(=O)NC[C@@H]1CC(C(N)=O)=NO1 1875377853 PFIZUURFHUBASC-WHFBIAKZSA-N 233.655 -0.640 50 50 BBGA N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O 1532673 LEVWYRKDKASIDU-IMJSIDKUSA-N 240.306 -0.808 50 50 BBGA endogenous,world OB(O)c1ccccc1OC[C@@H]1CCOC1 169926445 PVWGIVALWGYJIB-SECBINFHSA-N 222.049 -0.218 50 50 BBGA in-vitro C[C@@H](Cl)C(=O)NCCn1ncnn1 308226233 DWDNABNRSKJGRJ-RXMQYKEDSA-N 203.633 -0.583 50 50 BBGA O=C(CCl)N[C@@H]1CO[C@H]2COC[C@@H]12 1875369698 BTDLIQUMNWIIDO-XVMARJQXSA-N 205.641 -0.245 50 50 BBGA Cc1ccc(S(=O)(=O)NC(=O)NN)cc1 2528217 AZHBZBVPYMKDED-UHFFFAOYSA-N 229.261 -0.143 50 50 BBGA in-vitro COC[C@@H](C)Oc1cccc(B(O)O)c1 169966167 MLNIQZJIZKQIPX-MRVPVSSYSA-N 210.038 -0.220 50 50 BBGA in-vitro COc1cc(OC)c(B(O)O)c(OC)c1 169747045 PKLRXZVPEQJTTJ-UHFFFAOYSA-N 212.010 -0.608 50 50 BBGA in-vitro COc1ccc(Cl)c(B(O)O)c1[N+](=O)[O-] 169988567 WGKAHWWFPYIZFR-UHFFFAOYSA-N 231.400 -0.063 50 50 BBGA O=C(CCl)N1CC[C@@H](c2nn[nH]n2)C1 720634874 JAOJHNZZCLRNCF-RXMQYKEDSA-N 215.644 -0.246 50 50 BBGA NNC(=O)c1cc(-n2cnnn2)ccc1Cl 4343567 CBPQWIRMHPXUIB-UHFFFAOYSA-N 238.638 -0.081 50 50 BBGA O=C1C[C@H]2[C@H]3C[C@@H](C(=O)OC3=O)[C@@H]2C(=O)O1 215654472 QVEIRZNRYOJFCL-TWLZVZROSA-N 224.168 -0.588 50 50 BBGA in-vitro C[C@@H](Cn1cc([N+](=O)[O-])cn1)C(=O)NN 2731878 VIBQWSKYALQFNI-YFKPBYRVSA-N 213.197 -0.583 50 50 BBGA CC(=O)Oc1ccc(B(O)O)cc1[N+](=O)[O-] 169905268 LTPFDMOIHFZVAD-UHFFFAOYSA-N 224.965 -0.800 50 50 BBGA in-vitro O=C(Nc1cnccn1)c1ccc(B(O)O)cc1 1772715639 BGQDCAUEKBOHQY-UHFFFAOYSA-N 243.031 -0.591 50 50 BBGA CC(C)[S@](=O)c1cccc(B(O)O)c1 170001174 CTYZDUWFPMOWPU-AWEZNQCLSA-N 212.079 -0.118 50 50 BBGA CN(C)C(=O)NCc1ccc(B(O)O)cc1 405130912 FXIHHVWYZCFQNK-UHFFFAOYSA-N 222.053 -0.862 50 50 BBGA CN(C(=O)CCl)[C@@H]1CCS(=O)(=O)C1 3250165 HGIYHXMVKRVQSW-ZCFIWIBFSA-N 225.697 -0.129 50 50 BBGA in-vitro CCOC(=O)c1cc(B(O)O)ccc1F 169743673 YCXMTPOFCTUKTB-UHFFFAOYSA-N 211.985 -0.318 50 50 BBGA in-vitro C[C@H](Cl)C(=O)NC[C@H]1CC(C(N)=O)=NO1 1875377850 PFIZUURFHUBASC-CRCLSJGQSA-N 233.655 -0.640 50 50 BBGA CCCC(=O)N(N)[C@H]1CCS(=O)(=O)C1 757127562 LQTSXTHIBZEARV-ZETCQYMHSA-N 220.294 -0.324 50 50 BBGA CC1(c2ccccc2B(O)O)OCCO1 169744879 LQXLVSDIQAVYOM-UHFFFAOYSA-N 208.022 -0.414 50 50 BBGA in-vitro O=C(O)C1(c2ccc(B(O)O)c(F)c2)CC1 169964757 ZJKFGOYSWXSOAH-UHFFFAOYSA-N 223.996 -0.378 50 50 BBGA Cc1nn(CCC(=O)NN)cc1[N+](=O)[O-] 2549493 ZSTIMXOMZSIUMC-UHFFFAOYSA-N 213.197 -0.520 50 50 BBGA O=C(O)CCC(=O)Nc1ccc(B(O)O)cc1 169808849 VYUCUZOJUHAJLU-UHFFFAOYSA-N 237.020 -0.830 50 50 BBGA in-vitro C/C=C/C(=O)N(N)[C@@H]1CCS(=O)(=O)C1 757126378 DSCKSCRGBVYIEG-TYWZFMJISA-N 218.278 -0.548 50 50 BBGA OB(O)c1cccc(CO[C@H]2CCOC2)c1 203528039 WLAWVOZSYDZOQC-NSHDSACASA-N 222.049 -0.328 50 50 BBGA in-vitro CCNC(=S)NNC(=O)c1cn(C)nc1C 2743417 REFGLYOVLUHVQD-UHFFFAOYSA-N 241.320 -0.143 50 50 BBGA COC(=O)c1c(F)ccc(B(O)O)c1F 169748185 DAXRETVCZVZSNS-UHFFFAOYSA-N 215.948 -0.569 50 50 BBGA O=C1CC(=C2CN(C(=O)CCl)C2)C(=O)N1 1875378087 VMCCKXVBWRZGIY-UHFFFAOYSA-N 228.635 -0.590 50 50 BBGA CCOc1ncc(Br)cc1B(O)O 169743959 VXXXKWUXSALQQW-UHFFFAOYSA-N 245.869 -0.077 50 50 BBGA in-vitro Cc1nn(C(=O)OC(C)(C)C)c(C)c1B(O)O 169905254 QOJROSVHDGVEAI-UHFFFAOYSA-N 240.068 -0.037 50 50 BBGA O=C(CCl)n1cc(F)c(O)nc1=O 39055448 YTFLGHPCLLMJDW-UHFFFAOYSA-N 206.560 -0.033 50 50 BBGA in-vitro CNC(=O)c1cc(Cl)cc(B(O)O)c1 169808985 XZSSZKPRYZCKDO-UHFFFAOYSA-N 213.429 -0.621 50 50 BBGA in-vitro CS(=O)(=O)c1ccc(Cl)cc1B(O)O 170001714 WZEQQRDBOUXJKK-UHFFFAOYSA-N 234.469 -0.577 50 50 BBGA O=C(O)c1c(Cl)cccc1B(O)O 1772572489 ONUYEKFRTPDHFZ-UHFFFAOYSA-N 200.386 -0.282 50 50 BBGA COc1cc(B(O)O)cc([N+](=O)[O-])c1OC 725346834 ZVXDNZCMRMSEIU-UHFFFAOYSA-N 226.981 -0.708 50 50 BBGA COC(=O)c1cc(OC)ccc1B(O)O 169935131 QJEMXKRTNMWVHO-UHFFFAOYSA-N 209.994 -0.838 50 50 BBGA in-vitro CC(C)n1nnc2cc(C#N)cc(B(O)O)c21 170001925 ATUWJYWGMZYFLI-UHFFFAOYSA-N 230.036 -0.436 50 50 BBGA CNC(=S)NNC(=O)c1ccn(C)n1 2780931 NGSPRGMTNKZGKY-UHFFFAOYSA-N 213.266 -0.841 50 50 BBGA CCNC(=O)c1ccc(B(O)O)cc1F 169743929 PCACUISZWVJQCI-UHFFFAOYSA-N 211.001 -0.745 50 50 BBGA in-vitro CCOC(=O)/C=C/c1ccc(B(O)O)cc1 169745387 OVNZUEJWYIMMSW-VMPITWQZSA-N 220.033 -0.057 50 50 BBGA in-vitro CON(C)C(=O)c1ccc(F)c(B(O)O)c1 169743923 UIALQZJYMDELNI-UHFFFAOYSA-N 227.000 -0.861 50 50 BBGA in-vitro CN(C)C(=O)c1cc(B(O)O)ccc1Cl 169745369 ZTPXXLBYJKNIDH-UHFFFAOYSA-N 227.456 -0.278 50 50 BBGA in-vitro Cc1cc(B(O)O)ccc1NC(=O)NC1CC1 405071976 CHISLHWNABXDRK-UHFFFAOYSA-N 234.064 -0.041 50 50 BBGA O=S1(=O)C[C@@H](O)[C@@H](Br)C1 3388389 JUROXLRSVVHUOG-IUYQGCFVSA-N 215.068 -0.461 50 50 BBGA in-vitro C=CC(=O)Nc1ccc(CN(C)C)c(B(O)O)c1 169904801 RNZSJWFUMIMTKK-UHFFFAOYSA-N 248.091 -0.448 50 50 BBGA COCCOc1ccc(B(O)O)cc1OC 203547150 YUBMDYZNCBFIEJ-UHFFFAOYSA-N 226.037 -0.600 50 50 BBGA Cc1cc(B(O)O)ccc1N1CCOCC1 170002760 SPIHCTVLDYDVCE-UHFFFAOYSA-N 221.065 -0.489 50 50 BBGA in-vitro O=C(O)c1c(F)cc(B(O)O)c([N+](=O)[O-])c1F 1772572515 HJNATQFOBCZWAN-UHFFFAOYSA-N 246.918 -0.749 50 50 BBGA CC(C)NC(=O)c1cccc(B(O)O)c1 169745678 QDCRYXCSQKAWNM-UHFFFAOYSA-N 207.038 -0.495 50 50 BBGA in-vitro OB(O)c1ccc(CN2CCCC2)cc1 169794660 VXHLRYOCYRFLMS-UHFFFAOYSA-N 205.066 -0.038 50 50 BBGA in-vitro CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 3123317 RBFSQFYPHHXRMU-PHDIDXHHSA-N 211.670 -0.473 50 50 BBGA OB(O)c1cccc(OCCN2CCCC2)c1 197957950 ZWMBYUHJNFHLKO-UHFFFAOYSA-N 235.092 -0.159 50 50 BBGA COc1ccc(NC(=O)C(=O)NN)c(OC)c1 2025703 IABPUISEKVWHOZ-UHFFFAOYSA-N 239.231 -0.368 50 50 BBGA COc1cc(C=O)c(B(O)O)cc1OC 169746731 YCKBAZGRLLTFEM-UHFFFAOYSA-N 209.994 -0.804 50 50 BBGA in-vitro CC(C)NC(=O)c1cc(N)cc(B(O)O)c1 169978020 ZNABYZYVJPKBMX-UHFFFAOYSA-N 222.053 -0.913 50 50 BBGA CON(C)C(=O)c1ccc(B(O)O)cc1F 169743971 QPQWMXDTOWMILI-UHFFFAOYSA-N 227.000 -0.861 50 50 BBGA in-vitro CCCn1cc(B(O)O)c(C(F)(F)F)n1 170002522 AOBYOHLRQKDHDE-UHFFFAOYSA-N 221.975 -0.008 50 50 BBGA OB(O)c1ccc(F)c(CN2CCOCC2)c1 230527312 GHABZEPGSYBSSW-UHFFFAOYSA-N 239.055 -0.662 50 50 BBGA O=C(c1ccc(B(O)O)cc1)N1CCCC1 169745694 VKPBESPVHGDDJS-UHFFFAOYSA-N 219.049 -0.398 50 50 BBGA in-vitro C[C@@H]1COc2cccc(B(O)O)c2OC1 170000997 DGGFLCNEFJQNJG-SSDOTTSWSA-N 208.022 -0.226 50 50 BBGA COC(=O)C1(c2ccc(B(O)O)cc2)CC1 169745990 HVUPAWWRAWWJMH-UHFFFAOYSA-N 220.033 -0.429 50 50 BBGA in-vitro COCCOc1ccc(F)c(B(O)O)c1 169955169 IMTSUCLMSXRPJS-UHFFFAOYSA-N 214.001 -0.469 50 50 BBGA O[B-](O)(O)c1cc(C(F)(F)F)ccn1 208328388 JMSIJQCCCBNPNB-UHFFFAOYSA-N 207.924 -0.777 50 50 BBGA in-vitro O=C(CCl)N[C@@H]1CCn2c(O)nnc2C1 1875374944 LAJJZDBUFPDMCH-RXMQYKEDSA-N 230.655 -0.347 50 50 BBGA C[C@@H](C#N)CNCc1ccccc1B(O)O 585035618 WRIQEKFQIZERTL-VIFPVBQESA-N 218.065 -0.384 50 50 BBGA OB(O)c1cccc(N2CCCCC2)n1 169968833 DZSSGUPQPUAIGJ-UHFFFAOYSA-N 206.054 -0.248 50 50 BBGA CSc1ncc(B(O)O)c(SC)n1 209792449 PHQUTBJJJUKYGE-UHFFFAOYSA-N 216.096 -0.400 50 50 BBGA in-vitro OB(O)c1ccc(OC2CCOCC2)nc1F 169951680 VHVFTUSDJCHIGD-UHFFFAOYSA-N 241.027 -0.542 50 50 BBGA C[C@@H](Cl)C(=O)NC[C@H]1CC(C(N)=O)=NO1 1875377851 PFIZUURFHUBASC-RFZPGFLSSA-N 233.655 -0.640 50 50 BBGA OB(O)c1cc(F)ccc1CN1CCOCC1 169926274 QKWPZMOTDLWIGN-UHFFFAOYSA-N 239.055 -0.662 50 50 BBGA NNC(=O)c1ccc(-n2cnnn2)cc1 2650758 DCSLVGSOXWLBCY-UHFFFAOYSA-N 204.193 -0.734 50 50 BBGA in-vitro CCN(CC)C(=O)c1ccc(B(O)O)cc1F 169745458 PYEVVMUOQIUNFL-UHFFFAOYSA-N 239.055 -0.013 50 50 BBGA in-vitro COc1cc(B(O)O)cnc1C(F)(F)F 238446288 BOZHMQAZBWKIGA-UHFFFAOYSA-N 220.943 -0.211 50 50 BBGA O=C(O)c1cc(B(O)O)c(F)cc1F 1772572517 JJQDMOMUNAXCBS-UHFFFAOYSA-N 201.921 -0.657 50 50 BBGA NNC(=O)Cc1nc(-c2ccccn2)n[nH]1 32607140 YYCAKYQCTUNDBM-UHFFFAOYSA-N 218.220 -0.601 50 50 BBGA CCN1CCN(Cc2cccc(B(O)O)c2)CC1 199013322 GSGPYSACVXISCX-UHFFFAOYSA-N 248.135 -0.496 50 50 BBGA NNC(=O)[C@H](CCO)CC1CCC(O)CC1 286612 CDBZTYPEWOHMLD-HWOCKDDLSA-N 230.308 -0.084 50 50 BBGA OB(O)c1ccnc(N2CCCCC2)c1F 242495722 GOAHGMBEPDUKHQ-UHFFFAOYSA-N 224.044 -0.109 50 50 BBGA O=C(CCCl)NCCC[Si](O)(O)O 675073098 QVEVKDUOUOYVJS-UHFFFAOYSA-N 227.720 -0.963 50 50 BBGA Cn1ncc(Br)c1C(=O)NN 1088623 COLPSAPAKXEHAJ-UHFFFAOYSA-N 219.042 -0.214 50 50 BBGA CCCNC(=O)c1ccc(B(O)O)c(F)c1 169744500 SXQWRTZBIPCZGN-UHFFFAOYSA-N 225.028 -0.355 50 50 BBGA OB(O)c1ccc(CNC2CC2)c(F)c1 230527563 ZEYPDLRAGIQNDJ-UHFFFAOYSA-N 209.029 -0.243 50 50 BBGA CC(C)(C)C(=O)N(N)[C@@H]1CCS(=O)(=O)C1 757128963 SEPAQXSAWOAYMR-SSDOTTSWSA-N 234.321 -0.078 50 50 BBGA O=C(c1ccc(B(O)O)cc1F)N1CCCC1 169745691 CAXRHKUORHQHNG-UHFFFAOYSA-N 237.039 -0.259 50 50 BBGA in-vitro CCOC(=O)/C=C/c1cccc(B(O)O)c1 169745523 UIZGQEYEJKAASO-VOTSOKGWSA-N 220.033 -0.057 50 50 BBGA in-vitro COC(=O)CCNNC(=O)c1ccncc1 44124581 BJFFGNPZAKDAQD-UHFFFAOYSA-N 223.232 -0.121 50 50 BBGA Cc1c(B(O)O)cc([N+](=O)[O-])cc1[N+](=O)[O-] 169745437 ZESXGHPFWNSQQV-UHFFFAOYSA-N 225.953 -0.509 50 50 BBGA in-vitro CN(C)C(=S)Oc1ccc(B(O)O)cc1F 170001435 ZBUCKPBTLFJJBC-UHFFFAOYSA-N 243.068 -0.269 50 50 BBGA Nc1cc(B(O)O)ccc1C(F)(F)F 204748433 JEKVYWFCPSPOEH-UHFFFAOYSA-N 204.944 -0.033 50 50 BBGA CCOCC(=O)N(N)C1CCOCC1 757131091 BKJDSMPIMNZHAG-UHFFFAOYSA-N 202.254 -0.096 50 50 BBGA CCN1CCN(c2ncc(C)cc2B(O)O)CC1 170001794 UUERBZRBMGDTTD-UHFFFAOYSA-N 249.123 -0.788 50 50 BBGA O=C(c1ccc(F)c(B(O)O)c1)N1CCCC1 169743990 LUWFRPUCEBPJIZ-UHFFFAOYSA-N 237.039 -0.259 50 50 BBGA in-vitro CCOC(=O)C/C(N)=N/NC(=O)OC 2567145 QXBNFJJIWCHQLY-UHFFFAOYSA-N 203.198 -0.432 50 50 BBGA COC(=O)c1sc(B(O)O)cc1Cl 169934720 POWNUOUYCFUBMH-UHFFFAOYSA-N 220.442 -0.132 50 50 BBGA CCOC(=O)c1ccc(B(O)O)s1 169969425 QEBDDYBJDARVJR-UHFFFAOYSA-N 200.024 -0.395 50 50 BBGA CCOC(=O)c1csc(B(O)O)c1 169996533 CJLBZZSFIAKIIE-UHFFFAOYSA-N 200.024 -0.395 50 50 BBGA CCCS(=O)(=O)c1cccc(B(O)O)c1 170001398 RDRYPJSFNCCHLL-UHFFFAOYSA-N 228.078 -0.450 50 50 BBGA CCCNC(=O)c1cccc(B(O)O)c1 169743989 DZGOREURDIPFFZ-UHFFFAOYSA-N 207.038 -0.494 50 50 BBGA in-vitro COc1c(F)c(F)c(B(O)O)c(F)c1F 169877317 AVCUUTFGJGZDMS-UHFFFAOYSA-N 223.918 -0.069 50 50 BBGA in-vitro NNC(=O)c1ccc(N2CCOCC2)nc1 19851685 POOWVLHXEUFOEL-UHFFFAOYSA-N 222.248 -0.478 50 50 BBGA in-vitro O=C(O)CNNC(=O)COc1ccccc1 45068323 UXOUTQNWQJEZIL-UHFFFAOYSA-N 224.216 -0.229 50 50 BBGA C[C@H](Cl)C(=O)NCCN1C(=O)CNC1=O 1875364219 JUQOMYQCOVPIRH-YFKPBYRVSA-N 233.655 -0.718 50 50 BBGA OB(O)c1cnn(-c2ccc(F)cc2)c1 169903769 RKNFXJIPDALCBH-UHFFFAOYSA-N 205.985 -0.309 50 50 BBGA CC(C)S(=O)(=O)Nc1ccc(B(O)O)cc1 198782882 FKHIWYWQYXTZJU-UHFFFAOYSA-N 243.093 -0.484 50 50 BBGA Nc1cc(C(F)(F)F)ccc1B(O)O 204763698 UBJXLOGOMVYKIG-UHFFFAOYSA-N 204.944 -0.033 50 50 BBGA COC(=O)c1ccc(B(O)O)c(F)c1Cl 1772572523 ORWUBGQSLPIWFX-UHFFFAOYSA-N 232.403 -0.055 50 50 BBGA OB(O)c1ccnc(F)c1Br 169904594 ILVIZHJYIXNWBE-UHFFFAOYSA-N 219.806 -0.337 50 50 BBGA CN1CCN(c2ccc(B(O)O)cc2)CC1 169744827 LSKYURVDOIDSCG-UHFFFAOYSA-N 220.081 -0.882 50 50 BBGA in-vitro COC(=O)c1cc(F)c(C)c(B(O)O)c1 202184948 CRFPAOLDBQTBBC-UHFFFAOYSA-N 211.985 -0.399 50 50 BBGA C/C=C/C(=O)N(N)[C@H]1CCS(=O)(=O)C1 757126370 DSCKSCRGBVYIEG-AIYRYJHASA-N 218.278 -0.548 50 50 BBGA CC(C)CNC(=O)c1ccc(F)c(B(O)O)c1 169744043 ZTGVLNJCMJKDDO-UHFFFAOYSA-N 239.055 -0.109 50 50 BBGA CCOC(=O)c1cc(F)c(B(O)O)c(F)c1 575442727 OBBKPJAOKAPQJL-UHFFFAOYSA-N 229.975 -0.179 50 50 BBGA NNC(=O)COc1ccccc1[N+](=O)[O-] 120484 QUTJSDSZEWQPSX-UHFFFAOYSA-N 211.177 -0.037 50 50 BBGA C[C@H](Br)C(=O)N[C@H](CO)C(=O)O 1575457 FZCUZRSQHFPZKG-IUYQGCFVSA-N 240.053 -0.669 50 50 BBGA in-vitro CC1CCN(c2ncc(B(O)O)cn2)CC1 230544558 QALFODUIHZBJSX-UHFFFAOYSA-N 221.069 -0.607 50 50 BBGA OB(O)c1c(F)ccc(O)c1Br 169994981 UYGMWHVMPASBMZ-UHFFFAOYSA-N 234.817 -0.026 50 50 BBGA in-vitro COCCCNC(=O)c1ccc(B(O)O)cc1 169745067 XYVBRVOOLKNOIC-UHFFFAOYSA-N 237.064 -0.867 50 50 BBGA O=C(O)c1cc(Br)cc(B(O)O)c1 169743960 CWBLIPMCDMSOFX-UHFFFAOYSA-N 244.837 -0.173 50 50 BBGA in-vitro Cc1cc(Br)ncc1B(O)O 169744875 SVONARQIVBDOGB-UHFFFAOYSA-N 215.843 -0.168 50 50 BBGA Nc1ncc(B(O)O)cc1Br 238673134 XKIVIKLHZICDAV-UHFFFAOYSA-N 216.831 -0.894 50 50 BBGA CN1C[C@@H](Br)C(=O)NC1=O 160409 XFSLGQCCNDHVAV-GSVOUGTGSA-N 207.027 -0.069 50 50 BBGA biogenic COc1nn(CCC(=O)NN)cc1[N+](=O)[O-] 2549510 MIQNYJSUOUBBET-UHFFFAOYSA-N 229.196 -0.820 50 50 BBGA CCOC(=O)c1cccc(B(O)O)c1F 169744680 KFBWIVWAJRBVCJ-UHFFFAOYSA-N 211.985 -0.318 50 50 BBGA O=c1ccccn1Cc1ccc(B(O)O)cc1 169926292 FCZQOPXXWYEQJN-UHFFFAOYSA-N 229.044 -0.424 50 50 BBGA in-vitro COc1nn([C@H](C)C(=O)NN)cc1[N+](=O)[O-] 1012109 LEHCLOYKPOCRRA-SCSAIBSYSA-N 229.196 -0.649 50 50 BBGA C[C@@H]1C(=O)NN=C1C(=O)N/N=C/c1cccnc1 100572857 GZOLVTFEAUJTJO-PQHBYJLHSA-N 245.242 -0.346 50 50 BBGA O=C(O)c1c(F)ccc(B(O)O)c1F 169978214 YKUGBPFCJTZDIQ-UHFFFAOYSA-N 201.921 -0.657 50 50 BBGA O=C(CCl)NC1CN(C(=O)C2CC2)C1 1875368943 JLLXQQMYVMUURT-UHFFFAOYSA-N 216.668 -0.038 50 50 BBGA COC(COc1cccc(B(O)O)c1)OC 169844669 GCCZXKOQEXIQLI-UHFFFAOYSA-N 226.037 -0.636 50 50 BBGA in-vitro OB(O)c1cc(O)c(F)c(Br)c1 306236461 HNAUYBCMAIBGCK-UHFFFAOYSA-N 234.817 -0.026 50 50 BBGA Nc1c(B(O)O)ccnc1C(F)(F)F 238627915 GPYPERPSLINTMU-UHFFFAOYSA-N 205.932 -0.638 50 50 BBGA CC(=O)Nc1cccc(B(O)O)c1[N+](=O)[O-] 169743992 XJRVFUIJKNFQBX-UHFFFAOYSA-N 223.981 -0.767 50 50 BBGA COC(=O)c1sc(Cl)cc1B(O)O 1772572510 CWXRQHBUIRVDKJ-UHFFFAOYSA-N 220.442 -0.132 50 50 BBGA OB(O)c1c(Br)ccc(O)c1F 169748160 BTRGQSVQZIGVLU-UHFFFAOYSA-N 234.817 -0.026 50 50 BBGA in-vitro CN1CCN(c2cccc(B(O)O)c2)CC1 201568868 HXGDRMHRVSAMGD-UHFFFAOYSA-N 220.081 -0.882 50 50 BBGA in-vitro O=Cc1cc(Br)cc(B(O)O)c1 196255084 GPHPTLRDIAKRGQ-UHFFFAOYSA-N 228.838 -0.059 50 50 BBGA O=C(O)c1cc(F)c(B(O)O)cc1F 242547898 KXZZPNXACSXLNV-UHFFFAOYSA-N 201.921 -0.657 50 50 BBGA Cn1nccc1[C@H](CO)NC(=O)CCl 1875366078 JUJUDWFEDPFYJX-LURJTMIESA-N 217.656 -0.192 50 50 BBGA CCn1nnc2cc(B(O)O)c(F)cc21 170001265 MCKKJDQNKQDOKU-UHFFFAOYSA-N 208.989 -0.730 50 50 BBGA C=CCNC(=O)c1cccc(B(O)O)c1 169745757 BGDGMVTUXWBLLR-UHFFFAOYSA-N 205.022 -0.718 50 50 BBGA in-vitro OB(O)c1cnccc1Br 169747860 OEQUZDNRPMTXMQ-UHFFFAOYSA-N 201.816 -0.476 50 50 BBGA in-vitro COc1c(F)cc(C(=O)O)cc1B(O)O 1772572529 UCBMITMBIVBPRI-UHFFFAOYSA-N 213.957 -0.788 50 50 BBGA Cc1cc([N+](=O)[O-])nn1CCC(=O)NN 2568960 LGCXEHYTSGHDNF-UHFFFAOYSA-N 213.197 -0.520 50 50 BBGA COCCNC(=O)/C(C#N)=C/N1CCOCC1 1772715427 YUEVJZARPBSUEK-MDZDMXLPSA-N 239.275 -0.511 50 50 BBGA Nc1nonc1C(=O)N/N=C/c1ccncc1 51600 FCCJENFMZNHMMA-LFYBBSHMSA-N 232.203 -0.189 50 50 BBGA C[C@@H](Cl)C(=O)NCCC[Si](O)(O)O 675072519 IILQMZUZRWKMMW-RXMQYKEDSA-N 227.720 -0.964 50 50 BBGA CC(=O)Nc1ccc(Cl)cc1B(O)O 169746325 QKZGXHJFDCIMIN-UHFFFAOYSA-N 213.429 -0.022 50 50 BBGA OB(O)c1ccnc(N2CCOCC2)c1Cl 169794572 NCQGXSBDQBKPEJ-UHFFFAOYSA-N 242.471 -0.749 50 50 BBGA O=C(CCl)N[C@H]1C=CS(=O)(=O)C1 3882583 PMGOLXUFJBBKQZ-YFKPBYRVSA-N 209.654 -0.348 50 50 BBGA CS(=O)(=O)SCCS(=O)(=O)O 22066519 MKMHVRVEYYYHKV-UHFFFAOYSA-N 220.293 -0.433 50 50 BBGA in-vitro N#CSC1=NC2=NC(=N)NC(=O)C2=N1 1857790445 WFMYPVSOLJLTAP-UHFFFAOYSA-N 206.190 -0.526 50 50 BBGA CCOC(=O)c1ccc(F)c(B(O)O)c1 169745141 QXIIYFKTSGJTNE-UHFFFAOYSA-N 211.985 -0.318 50 50 BBGA CCOCCOc1ccccc1B(O)O 169746498 VXRUZTFMTDDRAR-UHFFFAOYSA-N 210.038 -0.218 50 50 BBGA in-vitro COc1ccc([N+](=O)[O-])c(OC)c1B(O)O 725346636 SSZXLQIGPNAYHM-UHFFFAOYSA-N 226.981 -0.708 50 50 BBGA Nc1cc(B(O)O)cc(C(=O)N2CCCC2)c1 169978017 MOCQHTNKCTVTJC-UHFFFAOYSA-N 234.064 -0.815 50 50 BBGA C[C@@H](c1ccc(B(O)O)cc1)N1CCOCC1 169794732 DFTTWASDXFJMSP-JTQLQIEISA-N 235.092 -0.240 50 50 BBGA in-vitro OB(O)c1cnn(Cc2ccccc2)c1 169743739 JXNAIAOHYPDQQC-UHFFFAOYSA-N 202.022 -0.389 50 50 BBGA in-vitro CC(C)S(=O)(=O)c1ccccc1B(O)O 170001627 XXUKEPDOJQTPOG-UHFFFAOYSA-N 228.078 -0.452 50 50 BBGA C[C@H](c1ccc(B(O)O)cc1)N1CCOCC1 169794731 DFTTWASDXFJMSP-SNVBAGLBSA-N 235.092 -0.240 50 50 BBGA in-vitro C[C@H](Cl)C(=O)NC[C@H]1COC(=O)N1 1875376133 MZZJORXTSLOWMC-WHFBIAKZSA-N 206.629 -0.162 50 50 BBGA COC(=O)NNC(=S)NC[C@H]1CCCO1 7061059 MCAMMAUNBFDDFP-ZCFIWIBFSA-N 233.293 -0.100 50 50 BBGA Cc1cc(C)n(-c2ccc(B(O)O)cn2)n1 170001725 FXKILRPOYJFNAD-UHFFFAOYSA-N 217.037 -0.436 50 50 BBGA CS(=O)(=O)NCCBr 1726652 BXVCFLARGCBLEP-UHFFFAOYSA-N 202.073 -0.070 50 50 BBGA in-vitro CC(C)NC(=O)c1cc(F)cc(B(O)O)c1 169744386 PSHDRBRWPWFWKK-UHFFFAOYSA-N 225.028 -0.356 50 50 BBGA O=C(O)c1cc(B(O)O)cc([N+](=O)[O-])c1Cl 725244106 HXCBSONZJCBNAF-UHFFFAOYSA-N 245.383 -0.374 50 50 BBGA OB(O)c1ccc(F)nc1C(F)(F)F 238623265 UTYJWVSYJDGQQN-UHFFFAOYSA-N 208.907 -0.081 50 50 BBGA CN1C(=O)CN(C(=O)CCl)[C@H]2C[C@H]21 1875378072 VGQHGBSNRAQDLY-RITPCOANSA-N 202.641 -0.333 50 50 BBGA NNC(=O)Cn1ccc(C(F)(F)F)n1 2584102 SZWJDZRNZOXFKQ-UHFFFAOYSA-N 208.143 -0.108 50 50 BBGA in-vitro CC(C)(C)NC(=O)Cc1cccc(B(O)O)c1 1083104343 IRLJIESLVKPESK-UHFFFAOYSA-N 235.092 -0.176 50 50 BBGA OB(O)c1cccc(CO[C@@H]2CCOC2)c1 203528038 WLAWVOZSYDZOQC-LLVKDONJSA-N 222.049 -0.328 50 50 BBGA in-vitro CC(=O)N/C=C1\C(=O)N(C)C(=O)C(C#N)=C1C 4719279 XYZRGYBLHRIRTC-UITAMQMPSA-N 233.227 -0.155 50 50 BBGA O=C(NCCCl)c1ccc(B(O)O)cc1 169745311 VQLHHAJGSFUYCS-UHFFFAOYSA-N 227.456 -0.665 50 50 BBGA in-vitro CCc1nc(-c2ccc(B(O)O)cc2)no1 170001525 XAONKJGWWNCLCQ-UHFFFAOYSA-N 218.021 -0.021 50 50 BBGA O=C(CCl)NC[C@H]1CCS(=O)(=O)N1 1875367307 TVJYIXVXTOQNSD-RXMQYKEDSA-N 226.685 -0.967 50 50 BBGA NC(=O)NN[C@@H]1CC(=O)N(c2ccccc2)C1=O 444978 IHXCMJVHJZOEAH-MRVPVSSYSA-N 248.242 -0.509 50 50 BBGA CN1CCN(Cc2ccccc2B(O)O)CC1 198004591 MJWYXYIAYRKIRW-UHFFFAOYSA-N 234.108 -0.886 50 50 BBGA O=C1OC(=O)[C@H]2C[C@H]3C(=O)OC(=O)[C@@H]3C[C@H]12 100004171 LJMPOXUWPWEILS-FBXFSONDSA-N 224.168 -0.588 50 50 BBGA in-vitro NC(=O)c1ccc(Br)cc1B(O)O 675050643 NUYRTYMKLFMYNM-UHFFFAOYSA-N 243.853 -0.772 50 50 BBGA NNC(=O)CCCCCN1C(=O)C=CC1=O 6691778 FYWVFGAAKATOHN-UHFFFAOYSA-N 225.248 -0.538 50 50 BBGA in-vitro OB(O)c1cccc(CN2CCCC2)c1 169748170 JRGCMBMTOLSYTF-UHFFFAOYSA-N 205.066 -0.038 50 50 BBGA OB(O)c1cnc(N2CCCCC2)nc1 169747870 JFPMJXGMHDIKLK-UHFFFAOYSA-N 207.042 -0.853 50 50 BBGA in-vitro COc1ccc(N/N=C(\C#N)C(=O)NN)cc1 333090 JJQJGBJAGGGTOH-OQLLNIDSSA-N 233.231 -0.023 50 50 BBGA COCCOc1ncc(B(O)O)cc1C 170001033 MLDDOXIHUNCANC-UHFFFAOYSA-N 211.026 -0.905 50 50 BBGA O=C(CCCl)N1CCS(=O)(=O)CC1 5494893 NGZQOLAUDIEOHC-UHFFFAOYSA-N 225.697 -0.128 50 50 BBGA OB(O)c1ccnc(Br)c1F 169934007 IWOCBRCHUQDPLK-UHFFFAOYSA-N 219.806 -0.337 50 50 BBGA N#CCCNC(=O)c1cccc(B(O)O)c1 169745389 RIXOLHWXBQWQFL-UHFFFAOYSA-N 218.021 -0.990 50 50 BBGA in-vitro CC(C)NC(=O)c1ccc(F)c(B(O)O)c1 169745434 NCRUGKRIPMSQHI-UHFFFAOYSA-N 225.028 -0.356 50 50 BBGA O=C(O)c1cc(B(O)O)c(Cl)c([N+](=O)[O-])c1 1772572499 HJYGDFGFKSCLRJ-UHFFFAOYSA-N 245.383 -0.374 50 50 BBGA COc1cc(B(O)O)c(C(=O)O)cc1OC 169934165 WDKCKAPUQPJHJV-UHFFFAOYSA-N 225.993 -0.918 50 50 BBGA in-vitro OB(O)c1cc(OCC2CC2)ncc1F 169951651 JHFNFZHYOFUZGP-UHFFFAOYSA-N 211.001 -0.311 50 50 BBGA O=[N+]([O-])c1cc(B(O)O)c(F)c(F)c1F 725273051 YHNJFNRMUGJLIQ-UHFFFAOYSA-N 220.899 -0.308 50 50 BBGA O=C1CC[C@@H]2CN(C(=O)CCl)C[C@H]2N1 1875368125 SDSLJSUYBAQJSU-RNFRBKRXSA-N 216.668 -0.038 50 50 BBGA OB(O)c1ccc(CN2CCOCC2)cc1 169747759 QPFDUULIDNELSE-UHFFFAOYSA-N 221.065 -0.801 50 50 BBGA in-vitro CC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 3123319 RBFSQFYPHHXRMU-NTSWFWBYSA-N 211.670 -0.473 50 50 BBGA COc1ncc(C(F)(F)F)cc1B(O)O 169904062 ZXQVVERDCVTXAI-UHFFFAOYSA-N 220.943 -0.211 50 50 BBGA in-vitro NNC(=O)COc1ccc([N+](=O)[O-])cc1 63732 BDPKZWIKLVUGKS-UHFFFAOYSA-N 211.177 -0.037 50 50 BBGA in-vitro CCOC(=O)c1cc(F)cc(B(O)O)c1 169745304 HJLWJMNBGUVWFR-UHFFFAOYSA-N 211.985 -0.318 50 50 BBGA in-vitro OB(O)c1ccnc(N2CCCCC2)c1 169935301 IYVKONCBLCEKRK-UHFFFAOYSA-N 206.054 -0.248 50 50 BBGA in-vitro OB(O)c1cc(OC2CCOCC2)ncc1F 228983982 HAJFKAUNYUPCIM-UHFFFAOYSA-N 241.027 -0.542 50 50 BBGA CCOc1ccc([N+](=O)[O-])cc1B(O)O 1857778483 OUYPVHAVGNAVRT-UHFFFAOYSA-N 210.982 -0.327 50 50 BBGA Cc1cnn(-c2cccc(B(O)O)n2)c1 169968727 SOLIPWNQQFQWSI-UHFFFAOYSA-N 203.010 -0.744 50 50 BBGA CCOC(=O)Cc1ccc(B(O)O)cc1F 675050523 MBKGYLQNWRKKSR-UHFFFAOYSA-N 226.012 -0.389 50 50 BBGA COC(=O)N(N)[C@H]1CCS(=O)(=O)C1 757127407 KDVBOBRILNXYLW-YFKPBYRVSA-N 208.239 -0.884 50 50 BBGA O=C(O)C[C@H](NC(=O)CCl)C(=O)O 1560892 COXKWXFZCRVVQB-VKHMYHEASA-N 209.585 -0.731 50 50 BBGA Cc1cc(C(=O)NC2CC2)ccc1B(O)O 393794418 IUZIQDNNJBRXRL-UHFFFAOYSA-N 219.049 -0.433 50 50 BBGA