smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccccc1-n1c(C)cc(C(C)=O)c1C 32101175 HGCNOSIXFPQGSO-UHFFFAOYSA-N 243.306 3.305 10 40 BGCB Nc1ccccc1/N=N/c1ccccc1N 100018332 JJHMECBCPWRGMR-FOCLMDBBSA-N 212.256 3.266 10 40 BGCB Cc1cc(CCC(=O)O)c(C)n1-c1ccccc1 19949573 MOXPEFXLUYUMDG-UHFFFAOYSA-N 243.306 3.111 10 40 BGCB CCc1ccc(-n2c(C)cc(CO)c2C)cc1 8701633 QEBIBZDYLHKFPQ-UHFFFAOYSA-N 229.323 3.149 10 40 BGCB Cc1ccc(Oc2ccc(N)cn2)cc1C 20278482 UTMLYKHXAYVJFU-UHFFFAOYSA-N 214.268 3.073 10 40 BGCB COc1ccccc1C(=S)c1ccccc1 228951417 JDFOZPNKQIJQOW-UHFFFAOYSA-N 228.316 3.462 10 40 BGCB CCCN(CCC)/N=N/c1cccnc1 1722410 ANIPTMCBWCJJRV-BUHFOSPRSA-N 206.293 3.202 10 40 BGCB Cc1cc(CN)c(C)n1-c1cccc(Cl)c1 11851010 NLQAPYPKNXWJEC-UHFFFAOYSA-N 234.730 3.206 10 40 BGCB Cc1cc(C)c(O)c(CNC2CCCCC2)c1 1679788 USEFENAGQJTRHC-UHFFFAOYSA-N 233.355 3.431 10 40 BGCB COc1cccc(CNc2ccccc2)c1O 1683255 BNSNCGKEOMQYRI-UHFFFAOYSA-N 229.279 3.013 10 40 BGCB C[C@H](N)c1ccc(N2CCCC[C@@H]2C)cc1 15937447 IXUBJEJWOXWWDA-RYUDHWBXSA-N 218.344 3.085 10 40 BGCB CC(=S)/C=C1\Sc2ccccc2N1C 124118 RJGXJDGXQRPPDM-XFFZJAGNSA-N 221.350 3.460 10 40 BGCB aggregator CCOc1ccc(N2[C@@H](C)CC[C@H]2C)cc1N 17957894 NAEDRXWGEFBISW-PHIMTYICSA-N 234.343 3.045 10 40 BGCB CCCNCc1c(O)ccc2ccccc12 19473824 RSWJZNHQYAXCRF-UHFFFAOYSA-N 215.296 3.045 10 40 BGCB CCCNCc1ccc(N2CCCCC2)cc1 3880962 ARYMGIDXUZMGHA-UHFFFAOYSA-N 232.371 3.177 10 40 BGCB O=C(O)/C=C/c1ccc(N2CCCCCC2)cc1 3888833 WTNCAFCPWANAPH-JXMROGBWSA-N 245.322 3.165 10 40 BGCB CCN(CC)c1ccc(C(C)=S)cc1 114212669 ZDYBPGOYIFQPQB-UHFFFAOYSA-N 207.342 3.271 10 40 BGCB Cc1ccc(O)c(CN2CC[C@@H]3CC[C@@H](C3)C2)c1 1615790 OQMFRLHFAVGPRP-KBPBESRZSA-N 245.366 3.323 10 40 BGCB Cc1cc(NCc2ccccc2O)ccc1F 40477080 GZWAWHYPLYGBRQ-UHFFFAOYSA-N 231.270 3.452 10 40 BGCB COc1ccc(N(C)C2CCCCC2)c(N)c1 213354469 QLFTUZDTUPZIDT-UHFFFAOYSA-N 234.343 3.046 10 40 BGCB CCNc1nnc(/N=N/c2ccccc2)s1 17995177 UGZZJWBXAZMESJ-WYMLVPIESA-N 233.300 3.385 10 40 BGCB CN(C)/N=N\c1ccc(Cl)c2ncccc12 104212061 QLKIYHBCONVGMS-PFONDFGASA-N 234.690 3.449 10 40 BGCB Cc1cc(CO)c(C)n1-c1cccc(Cl)c1 33465661 QWDJMHPUFULRTJ-UHFFFAOYSA-N 235.714 3.240 10 40 BGCB Cc1sc(N)nc1-c1ccc2c(c1)CCC2 8429446 PIHSKMPOPWHJCA-UHFFFAOYSA-N 230.336 3.189 10 40 BGCB in-vitro Nc1sccc1C(=O)c1ccccc1Cl 347455 PYKUZKXKWBHTCO-UHFFFAOYSA-N 237.711 3.215 10 40 BGCB in-vitro CC(=O)Nc1cccc(/N=N/N2CCCCC2)c1 18116129 DBDQMYOTAIAXQX-FOCLMDBBSA-N 246.314 3.130 10 40 BGCB Oc1ccc(/N=N/c2nccs2)cc1 16400521 GRVGLPVBULBCJC-VAWYXSNFSA-N 205.242 3.264 10 40 BGCB CN1C(=O)C(=C2CCCCCC2)SC1=S 2313129 RDGHECXJZKGVOA-UHFFFAOYSA-N 241.381 3.085 10 40 BGCB Cc1ccc(C)n1-c1ccc(C2=NCCC2)cn1 72216743 NNXUPUFHIJIZIB-UHFFFAOYSA-N 239.322 3.072 10 40 BGCB CC(C)NCc1ccc(N2CCCCC2)cc1 3880963 NDBGEFCTVZDCHP-UHFFFAOYSA-N 232.371 3.175 10 40 BGCB Cc1ccc(/N=N/N(C)C)c2cccnc12 18120186 QJBWGXYFEKXKHA-CCEZHUSRSA-N 214.272 3.104 10 40 BGCB CSC(=S)NCc1ccc(Cl)cc1 4105397 LIMPKEZVOAQSOD-UHFFFAOYSA-N 231.773 3.078 10 40 BGCB Cc1ccc(/N=N/c2ccc(O)c(=O)cc2)cc1 100745422 XXYWHJBFCHGAQK-FOCLMDBBSA-N 240.262 3.476 10 40 BGCB biogenic CCCC[C@@H](CC)CN1C(=O)CSC1=S 11692211 OZBSCMAKAAMRRB-SECBINFHSA-N 245.413 3.063 10 40 BGCB CCc1cccc(Oc2ccc(N)cn2)c1 19440660 DSOIIYHXKSQABH-UHFFFAOYSA-N 214.268 3.019 10 40 BGCB Oc1ccccc1CNc1cc(F)cc(F)c1 19961765 CPKVGPFKQFKCOU-UHFFFAOYSA-N 235.233 3.283 10 40 BGCB CCc1ccccc1-n1c(C)cc(C(=O)O)c1C 20284825 PKFCHFYBFNEAEJ-UHFFFAOYSA-N 243.306 3.355 10 40 BGCB Cc1c(F)cccc1NCc1ccccc1O 43319443 MOSTXJNCXOMXHR-UHFFFAOYSA-N 231.270 3.452 10 40 BGCB C[C@H](NCc1ccccc1O)[C@H]1C[C@H]2CC[C@H]1C2 248244690 IXHLRFQDFRFVDP-PWNZVWSESA-N 245.366 3.307 10 40 BGCB O=C(O)c1cccc(/N=N/N2CCCCCC2)c1 33413 OJPBMUUZGYZDMW-CCEZHUSRSA-N 247.298 3.260 10 40 BGCB Cc1ccc(-n2c(C)cc(CN)c2C)c(C)c1 11851006 MGIOGDNJHVECCG-UHFFFAOYSA-N 228.339 3.170 10 40 BGCB CCSc1ncc(-c2ccccc2)n1C 44322482 KFFMYWXPNZAUTC-UHFFFAOYSA-N 218.325 3.199 10 40 BGCB CCN(c1ccc(N)cc1)C1CCCCC1 22214077 IMDARUXWNKRPJK-UHFFFAOYSA-N 218.344 3.428 10 40 BGCB CN(C)c1ccc(/C=C/C(=O)O)c2ccccc12 44201206 ZODXXCYTSLUQEQ-CSKARUKUSA-N 241.290 3.004 10 40 BGCB OCc1cc(/N=N/c2ccc(F)cc2)ccc1O 70461970 ASIBRLAHEIEMJZ-FOCLMDBBSA-N 246.241 3.439 10 40 BGCB Cc1ccccc1OCCOc1ccc(N)cc1 8703275 CRQRIZREBRHGRB-UHFFFAOYSA-N 243.306 3.035 10 40 BGCB [N-]=[N+]=NCC(=O)c1cccc(C(F)(F)F)c1 199749330 KPJZFNJMPHEHRB-UHFFFAOYSA-N 229.161 3.198 10 40 BGCB Cc1ccc(-n2c(C)cc(CO)c2C)c(C)c1 8701663 JEWAKVYGIIOTBA-UHFFFAOYSA-N 229.323 3.203 10 40 BGCB Nc1ccc(N=Nc2ccc(Cl)cn2)c(N)c1 254816900 WLNTVTDTBKPTCA-UHFFFAOYSA-N 247.689 3.315 10 40 BGCB CN1N=C(C(C)(C)C)/C(=C/c2cccs2)C1=O 2581780 ZOICNEPCQWKRPY-NTMALXAHSA-N 248.351 3.006 10 40 BGCB Cc1cc(-c2nnco2)c(C)n1-c1ccccc1 3256258 BBHQIDKHQRYTRC-UHFFFAOYSA-N 239.278 3.144 10 40 BGCB Nc1cccc(/[N+]([O-])=N/c2ccccc2)c1 5338304 ADXFUGOBWZSZNC-PFONDFGASA-N 213.240 3.195 10 40 BGCB CC(C)Cc1ccc(CO)n1Cc1ccccc1 226023266 HTWCLRXRGLQJNI-UHFFFAOYSA-N 243.350 3.227 10 40 BGCB C[C@@H]1CCCC[C@H]1Nc1ccc(N)cc1 34939606 JDAREGMFZSXSLW-ZWNOBZJWSA-N 204.317 3.259 10 40 BGCB CCCCCCNCc1ccc(N(C)C)cc1 6859290 FMHIMBOKOKIQDT-UHFFFAOYSA-N 234.387 3.423 10 40 BGCB CCOC(=O)c1c(/N=N/O)sc(C)c1C 53944148 GJCBGYQECCTRKR-UHFFFAOYSA-N 228.273 3.015 10 40 BGCB COC(=O)/C(=C\C=C\c1ccccc1)N=[N+]=[N-] 104268184 CLVBIIZLIRGDIZ-OSODFHRSSA-N 229.239 3.067 10 40 BGCB CCOc1ccccc1Oc1ccc(N)cc1 4227363 KFQSFBNEKJCKPM-UHFFFAOYSA-N 229.279 3.460 10 40 BGCB c1coc([C@@H]2CCNc3ccccc3N2)c1 6732104 GFIUPJNYBUXKTD-LBPRGKRZSA-N 214.268 3.248 10 40 BGCB Nc1cccc(/[N+]([O-])=N\c2ccccc2)c1 100367926 ADXFUGOBWZSZNC-CCEZHUSRSA-N 213.240 3.195 10 40 BGCB Cc1cccc(-n2c(C)cc(C(=O)O)c2C)c1C 19949290 PRFFGCVFEMKDGY-UHFFFAOYSA-N 243.306 3.409 10 40 BGCB Cc1nc(N)sc1/N=N/c1ccccc1 4798061 UOFQZLLVFNMLIN-BUHFOSPRSA-N 218.285 3.449 10 40 BGCB S=C1c2ccccc2Cc2ccccc21 78200974 IIVXOEXOFOWDGP-UHFFFAOYSA-N 210.301 3.357 10 40 BGCB C[C@@H](N)c1ccc(N2CCCCCC2)c(F)c1 19872111 BCWQQKBMIRDWRS-LLVKDONJSA-N 236.334 3.226 10 40 BGCB CC[C@@H](C)NCc1c(O)ccc2ccccc12 19881987 HNXFNTOVWDIQKT-LLVKDONJSA-N 229.323 3.434 10 40 BGCB Oc1ccc(C/C=C\c2ccccc2)cc1O 5440075 ZXMQPNKAUNDPRO-DAXSKMNVSA-N 226.275 3.354 10 40 BGCB Nc1ccc(OC2CCCCCC2)cc1 8702446 ZEXKTPVBXDNPHE-UHFFFAOYSA-N 205.301 3.370 10 40 BGCB CC[C@H](C)Cc1ccc(O)c(CN(C)C)c1 16698726 SELKCQLXIPQGQQ-NSHDSACASA-N 221.344 3.042 10 40 BGCB CN(Cc1ccccc1O)C1CCCCC1 1710437 IXHZCIKCXBPATC-UHFFFAOYSA-N 219.328 3.157 10 40 BGCB Cc1ccc(COc2ccc(N)cc2)cc1 8703688 DORZLRPJJUIPGY-UHFFFAOYSA-N 213.280 3.156 10 40 BGCB CCOCSc1ncc(-c2ccccc2)n1C 225583285 IEOXXHMWTIUFJD-UHFFFAOYSA-N 248.351 3.173 10 40 BGCB Cc1c2cc(F)ccc2c[n+]2ccccc12 1730440 BQQCVRDEWADROM-UHFFFAOYSA-N 212.247 3.026 10 40 BGCB Cc1noc(C)c1/N=N/c1ccccc1C(=O)O 4986495 QBXCMPGTAQFTFT-BUHFOSPRSA-N 245.238 3.405 10 40 BGCB COc1ccc(C(C)=O)cc1-n1c(C)ccc1C 8733453 LNMFGQSKWMTTJS-UHFFFAOYSA-N 243.306 3.305 10 40 BGCB CCN(CC)c1ccc(CNC(C)C)cc1 342749 JRSVVSNIAAVGPJ-UHFFFAOYSA-N 220.360 3.031 10 40 BGCB CC(=O)c1ccc(CCc2ccc(N)cc2)cc1 1556069 JNORGZYADFMGRE-UHFFFAOYSA-N 239.318 3.257 10 40 BGCB Cc1ccc(C)n1-c1ccnn1-c1ccccc1 3852549 RCOKNVCYAIHOPO-UHFFFAOYSA-N 237.306 3.280 10 40 BGCB biogenic O=C1OC(c2ccccc2)=C/C1=C\c1ccco1 8572822 ABCAJPQLIGMXRZ-FMIVXFBMSA-N 238.242 3.261 10 40 BGCB Cc1cccc(COc2ccc(N)cc2)c1 20351842 VHNPDUZJBYRIDB-UHFFFAOYSA-N 213.280 3.156 10 40 BGCB C[C@H](Nc1ccc(N)cc1)c1ccccc1 20381939 HHXZEBYICWXELG-NSHDSACASA-N 212.296 3.442 10 40 BGCB in-vitro CC(=S)c1c(F)c(F)c(F)c(F)c1F 228961401 QSCWXRDIKNREGM-UHFFFAOYSA-N 226.169 3.120 10 40 BGCB CCN1c2ccc(CN)cc2C(C)=CC1(C)C 223795262 HGGCPOZURULPBP-UHFFFAOYSA-N 230.355 3.167 10 40 BGCB CC(=O)c1ccccc1-n1c(C)ccc1C 1731319 AXEJKEJZLXQYIB-UHFFFAOYSA-N 213.280 3.297 10 40 BGCB C[N+](C)([O-])Cc1cc(-c2ccccc2)ccc1O 1592035 ZVUMFYPRCOOMFA-UHFFFAOYSA-N 243.306 3.133 10 40 BGCB in-vitro CNCc1cc(C)n(-c2cccc(Cl)c2)c1C 223670735 AEVDGTAUQKSBPG-UHFFFAOYSA-N 248.757 3.467 10 40 BGCB CC(C)(C)OC(=O)/N=N\C(=O)OC(C)(C)C 100025308 QKSQWQOAUQFORH-QXMHVHEDSA-N 230.264 3.309 10 40 BGCB Cc1cc(/C=C/C(=O)O)c(C)n1-c1ccccc1 3888735 NXBJULFMODDSSF-CMDGGOBGSA-N 241.290 3.192 10 40 BGCB CC(=O)c1cc(C)n(-c2ccccc2F)c1C 32016039 CJCJPGKIRVGUMA-UHFFFAOYSA-N 231.270 3.436 10 40 BGCB CCc1cccc(-n2c(C)cc(C=O)c2C)c1 20285317 KZRQYZRFTFUNFT-UHFFFAOYSA-N 227.307 3.469 10 40 BGCB COc1ccc(N2CCc3ccccc3C2)cc1 34723732 GNVXOIRECQQWBJ-UHFFFAOYSA-N 239.318 3.258 10 40 BGCB COc1cccc(CNc2ccccc2C)c1O 19964997 RAHIJSDGESRWDG-UHFFFAOYSA-N 243.306 3.321 10 40 BGCB Nc1ccc(CCCc2ccc(O)cc2)cc1 47845246 IPCUDGMAERGVTC-UHFFFAOYSA-N 227.307 3.150 10 40 BGCB CNCc1cc2c(cc1F)N(C)C(C)(C)C=C2C 223798280 FYJIVMCHXLFOJW-UHFFFAOYSA-N 248.345 3.177 10 40 BGCB Cc1ccc(C)n1Cc1ccc(F)cc1 8729262 ZHFXCBPDVPDYRF-UHFFFAOYSA-N 203.260 3.292 10 40 BGCB in-vitro C[C@H](N)c1ccc(N2CCC[C@@H](C)C2)c(F)c1 101236103 YRTMZNJRCHCSQU-MNOVXSKESA-N 236.334 3.082 10 40 BGCB Nc1ccc(N2CCCc3ccccc32)cc1 20351828 IMYBMPFGRJVRBT-UHFFFAOYSA-N 224.307 3.353 10 40 BGCB CC(C)C[C@H]1C[C@@H](CC(C)C)CC(=O)C1=O 1577669 YCICYKYPPBIUMJ-NEPJUHHUSA-N 224.344 3.243 10 40 BGCB Nc1ccc(Oc2cc(F)cc(F)c2)cc1 54931938 SNCVCPGTEPUSHH-UHFFFAOYSA-N 221.206 3.339 10 40 BGCB [N-]=[N+]=NCC(=O)c1ccc(Cl)cc1Cl 107339286 MHTBUFQCYHAVTI-UHFFFAOYSA-N 230.054 3.486 10 40 BGCB CC1=[SH]c2nc(Cl)nc(Cl)c2[C@H]1C 242750654 ZUNOTSDEWBYPSE-VKHMYHEASA-N 235.139 2.917 10 40 BGCB [O-][N+](=NCc1ccccc1)c1ccccc1 104387986 KKEXMFAUZLNVBB-UHFFFAOYSA-N 212.252 3.481 10 40 BGCB CC[C@H](N=[N+]=[N-])C(=O)Nc1ccc(C)cc1 2298165822 GTZCRBAJCUQEAY-JTQLQIEISA-N 218.260 3.022 10 40 BGCB Oc1ccc([C@@H]2C[C@H]3CC[C@@H]2C3)cc1O 506378 JARXDSZNTUVDEE-IQJOONFLSA-N 204.269 3.001 10 40 BGCB C[C@H](NCc1ccccc1O)c1ccccc1 2650148 BYIZBEHMSPRAPK-LBPRGKRZSA-N 227.307 3.243 10 40 BGCB in-vitro N#CNc1c2ccccc2nc2ccccc12 5594121 FBISOVGACPYXFV-UHFFFAOYSA-N 219.247 3.281 10 40 BGCB C[C@@H](NCc1ccccc1O)c1ccccc1 2650149 BYIZBEHMSPRAPK-GFCCVEGCSA-N 227.307 3.243 10 40 BGCB in-vitro Nc1ccc(Cc2nc3ccccc3o2)cc1 6816913 TUXQUAAOUMPXNA-UHFFFAOYSA-N 224.263 3.001 10 40 BGCB O=C1C(=O)c2cc(Cl)ccc2-c2ccccc21 1674717 VDSBRSKMXYUDTA-UHFFFAOYSA-N 242.661 3.386 10 40 BGCB CC(=O)Nc1c2ccccc2nc2ccccc12 4707536 QBRHXTCIXTXYEV-UHFFFAOYSA-N 236.274 3.346 10 40 BGCB C[C@@H](NCc1ccccc1O)[C@@H]1C[C@@H]2CC[C@@H]1C2 100812559 IXHLRFQDFRFVDP-BHPKHCPMSA-N 245.366 3.307 10 40 BGCB Nc1ccc(OCC(Cl)(Cl)Cl)cc1 1083810986 ISWALLBQFWKGHY-UHFFFAOYSA-N 240.517 3.018 10 40 BGCB [N-]=[N+]=C1C=C(c2ccccc2)N=C1c1ccccc1 5640211 BXRRDVXQTLVQMQ-UHFFFAOYSA-N 245.285 3.201 10 40 BGCB CNCc1ccc2c(c1)[C@H](C)CC(C)(C)N2C 223782025 AIHBYAONNMBODK-LLVKDONJSA-N 232.371 3.128 10 40 BGCB Nc1ccc(/N=N\c2ccc(N)cc2)cc1 100084840 KQIKKETXZQDHGE-NXVVXOECSA-N 212.256 3.266 10 40 BGCB Cc1cc(C=O)c(C)n1-c1cc(Cl)ccc1O 9264023 HOKPIFYLZREXEQ-UHFFFAOYSA-N 249.697 3.266 10 40 BGCB CNCc1cc(C)n(-c2ccccc2C)c1C 223664975 CSUZLCZRCYAHFT-UHFFFAOYSA-N 228.339 3.122 10 40 BGCB CCN1c2ccc(CNC)cc2C(C)=CC1(C)C 223797149 GPXZOQWEUSXZIE-UHFFFAOYSA-N 244.382 3.428 10 40 BGCB CCOC(=O)C1=C(C)Nc2ccc(C)cc2S1 2484707 ITEKKCOPEXJMOQ-UHFFFAOYSA-N 249.335 3.307 10 40 BGCB CNCc1cc(C)n(-c2ccccc2Cl)c1C 223670161 CBHSHYFTQSCSKB-UHFFFAOYSA-N 248.757 3.467 10 40 BGCB CC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 2626471 AUVZVYVYLRKPLB-UHFFFAOYSA-N 241.290 3.109 10 40 BGCB C1=C(N2CCCCCC2)Cc2ccccc21 55120952 SCXYKHZLDIOYNQ-UHFFFAOYSA-N 213.324 3.460 10 40 BGCB Cc1ccc(-n2c(C)cc(CN)c2C)cc1C 11851007 WKNBPPHPNOZGEZ-UHFFFAOYSA-N 228.339 3.170 10 40 BGCB CNCc1cc(C)n(-c2cccc(C)c2)c1C 223665544 UHPDLTBSEJSRKZ-UHFFFAOYSA-N 228.339 3.122 10 40 BGCB Cc1cc(O)cc(Oc2cc(C)cc(O)c2O)c1 14780017 SCUIHYCLCWYXKC-UHFFFAOYSA-N 246.262 3.213 10 40 BGCB biogenic,in-vitro c1coc([C@H]2CCNc3ccccc3N2)c1 6732103 GFIUPJNYBUXKTD-GFCCVEGCSA-N 214.268 3.248 10 40 BGCB CCOc1ccc(-n2c(C)ccc2C)cc1 378279 ZDIOYIPJINVOQA-UHFFFAOYSA-N 215.296 3.493 10 40 BGCB CC1=CC(C)(C)N(C)c2cc(C)c(CN)cc21 223795560 UDXIHILJPWZDIZ-UHFFFAOYSA-N 230.355 3.085 10 40 BGCB Cc1ccc(F)c(NCc2ccccc2O)c1 20471793 JDHLPFCAJBKWHF-UHFFFAOYSA-N 231.270 3.452 10 40 BGCB CCCCc1ccc(CO)n1Cc1ccccc1 226026974 GKHLQWWDSASHRY-UHFFFAOYSA-N 243.350 3.371 10 40 BGCB c1ccc(CN/N=N/c2ccccc2)cc1 16952905 NNNDCDLZJSSHSZ-UHFFFAOYSA-N 211.268 3.475 10 40 BGCB Cc1cc(O)cc(O)c1N=Nc1nccs1 254501159 LABKTXRFMJIJAU-UHFFFAOYSA-N 235.268 3.278 10 40 BGCB C[C@@H](NCc1ccccc1O)[C@@H]1C[C@H]2CC[C@H]1C2 248244689 IXHLRFQDFRFVDP-OSFYFWSMSA-N 245.366 3.307 10 40 BGCB CC1=C(C(=O)OC(C)C)Sc2ccccc2N1 2490684 BUJYAVMIPYDLML-UHFFFAOYSA-N 249.335 3.387 10 40 BGCB Cc1cc2c(cc1CN)[C@H](C)CC(C)(C)N2C 223779949 HCTSTROYFSHKQR-LLVKDONJSA-N 232.371 3.176 10 40 BGCB Cc1cc(/N=N/c2nccs2)c(O)cc1O 4786551 WYTAVGNTSZKJHY-OUKQBFOZSA-N 235.268 3.278 10 40 BGCB CC(C)CC[C@@H](C)NC(=O)c1cc(O)cs1 101072553 VCEHKEAVOIBVDG-SECBINFHSA-N 241.356 3.008 10 40 BGCB CN(C)/N=N\c1ccc(C(F)(F)F)cc1 100378176 GAHZSIUOAYYZPO-YPKPFQOOSA-N 217.194 3.266 10 40 BGCB Oc1ccc([C@H]2C[C@@H]3CC[C@H]2C3)cc1O 301368 JARXDSZNTUVDEE-YWVKMMECSA-N 204.269 3.001 10 40 BGCB Cc1ccc(NCc2ccccc2O)c(F)c1 20372108 BGIKAFWFTWOEEC-UHFFFAOYSA-N 231.270 3.452 10 40 BGCB O=C1OC(c2ccccc2)=C/C1=C/c1ccco1 4852822 ABCAJPQLIGMXRZ-XFXZXTDPSA-N 238.242 3.261 10 40 BGCB Cc1ccc(-n2c(C)cc(CO)c2C)cc1C 8701646 OHNUGTDOLFMVHO-UHFFFAOYSA-N 229.323 3.203 10 40 BGCB Cc1ccc2oc(Cc3ccc(N)cc3)nc2c1 37746487 XDHJLNQGTWKTGQ-UHFFFAOYSA-N 238.290 3.309 10 40 BGCB Nc1ccc(OC[C@@H]2C[C@@H]2c2ccccc2)cc1 85395202 OSMSZZVKTRMJQX-XJKSGUPXSA-N 239.318 3.451 10 40 BGCB CCc1nc(-c2ccc(O)c(O)c2C)cs1 248103107 OKKHVJCMGCVWGU-UHFFFAOYSA-N 235.308 3.092 10 40 BGCB O=C1c2ccccc2-c2nc3ccccc3cc21 64440 XCNNXMKPXRCGJQ-UHFFFAOYSA-N 231.254 3.446 10 40 BGCB O=c1ccc(/N=N\c2ccccc2)ccc1O 104251602 LWPCHBVDMXCYNP-PFONDFGASA-N 226.235 3.168 10 40 BGCB Cc1ccc(C)c(-n2c(C)cc(CN)c2C)c1 57518039 IOJBPXCVGJYRMG-UHFFFAOYSA-N 228.339 3.170 10 40 BGCB CCOC(=O)c1ccc(/N=N/NC(C)(C)C)cc1 18251897 DTPGCCFRUMGUPF-UHFFFAOYSA-N 249.314 3.250 10 40 BGCB CC(C)CNCc1c(O)ccc2ccccc12 19882995 XJUWQPXQHQILCQ-UHFFFAOYSA-N 229.323 3.291 10 40 BGCB C[C@H](NCc1ccccc1O)[C@@H]1C[C@H]2CC[C@H]1C2 248244687 IXHLRFQDFRFVDP-ABHRYQDASA-N 245.366 3.307 10 40 BGCB O=[N+]([O-])c1ccc2c(c1)C(=S)c1ccccc1-2 228964388 GQTZVXHASHXTCB-UHFFFAOYSA-N 241.271 3.342 10 40 BGCB CCC(=S)c1ccc(F)c(F)c1F 228965272 ZCVFHZWDEAWRHO-UHFFFAOYSA-N 204.216 3.232 10 40 BGCB Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 569994 CYSQNIFSCOEHDN-UHFFFAOYSA-N 246.697 3.175 10 40 BGCB CCN(CC)/N=N/c1cccc(/C=C/C(=O)O)c1 4575459 RLCYTOADHMTKFA-IDRAWEHWSA-N 247.298 3.125 10 40 BGCB C[C@H](Cc1ccccc1)NCc1ccccc1O 4962246 PDTBVIHJAGCJPH-CYBMUJFWSA-N 241.334 3.113 10 40 BGCB OCc1cc(/N=N/c2ccccc2F)ccc1O 70461965 BUVMBTYLRUEFJY-FOCLMDBBSA-N 246.241 3.439 10 40 BGCB CC[C@H](N)c1cc(Cl)cc(Cl)c1O 26896464 DDTPTCVSSGSJDU-QMMMGPOBSA-N 220.099 3.109 10 40 BGCB CC(=O)c1c(C)c(C)c2n1CCn1c(C)ccc1-2 506648 HQKCOOIUIHVBDV-UHFFFAOYSA-N 242.322 3.098 10 40 BGCB Cc1ccc(/C=C2/C=C(CC(C)C)OC2=O)o1 506820 VQQUFHNZIROQHY-XFFZJAGNSA-N 232.279 3.458 10 40 BGCB c1ccc(/N=N/NNc2ccccc2)cc1 32151005 IDWXQRMUCRXFAK-UHFFFAOYSA-N 212.256 3.302 10 40 BGCB CCCNCc1ccc(N(CC)CC)cc1 6869111 PEEXZIHRGKUILQ-UHFFFAOYSA-N 220.360 3.032 10 40 BGCB Cc1cccc(C)c1-n1c(C)cc(CO)c1C 8701636 RARQYGHVHZFKFW-UHFFFAOYSA-N 229.323 3.203 10 40 BGCB CCN1c2ccc(CN)cc2[C@@H](C)CC1(C)C 223779570 GTJOLNAXMXWPMK-NSHDSACASA-N 232.371 3.257 10 40 BGCB C1CCCN(/N=N/N2CCCCCC2)CC1 17042456 CVPJFMQGAADGOO-BUHFOSPRSA-N 224.352 3.021 10 40 BGCB CC1=NN(c2ccccc2)C(=O)C1=C1CCCC1 16607565 UMSJITYZOAUJJE-UHFFFAOYSA-N 240.306 3.280 10 40 BGCB C[C@H]1Cc2ccccc2N1Cc1ccc(N)cc1 19266511 NNFXKOXPFNSNAW-LBPRGKRZSA-N 238.334 3.220 10 40 BGCB O=C1OC(c2cccs2)=C/C1=C\c1ccco1 409051894 ODNYAXHTVAGZHR-VQHVLOKHSA-N 244.271 3.322 10 40 BGCB Nc1ccc(OC[C@H]2C[C@H]2c2ccccc2)cc1 85395190 OSMSZZVKTRMJQX-CJNGLKHVSA-N 239.318 3.451 10 40 BGCB Cc1ccccc1-n1c(C)cc(C=O)c1C 447024 GKCYDEMQPZTSEF-UHFFFAOYSA-N 213.280 3.215 10 40 BGCB in-vitro COc1cc(N)ccc1/N=N/c1nccs1 16195916 NWNHKNMYFAOKRF-BUHFOSPRSA-N 234.284 3.149 10 40 BGCB O=C1c2cc(Cl)ccc2C(=O)[C@@H]2C=CC=C[C@H]12 100642890 MPEVIGLDALDDOV-ZJUUUORDSA-N 244.677 3.077 10 40 BGCB Cc1ccc(C)n1-c1cc(C(C)(C)C)n[nH]1 11919403 OEMSXMRZOUJFOH-UHFFFAOYSA-N 217.316 3.115 10 40 BGCB CNCc1cc(C)n(-c2ccc(C)cc2)c1C 113704302 KTGODFGUPHBKMR-UHFFFAOYSA-N 228.339 3.122 10 40 BGCB CC[C@H]1CCCCN1c1ccc(N)cc1 8701173 XGWIXRNBRRJERQ-LBPRGKRZSA-N 204.317 3.038 10 40 BGCB Cc1cccc(/C=C/c2c[nH]c3ccccc23)[n+]1C 9306284 BXTRGRUSZNGIFN-UHFFFAOYSA-O 249.337 3.471 10 40 BGCB Nc1ccc(CSCc2ccc(N)cc2)cc1 3200302 AMZHYMYRVMTQDU-UHFFFAOYSA-N 244.363 3.284 10 40 BGCB CCOc1cccc(CN2CCC[C@@H](C)C2)c1O 23282167 SGXRZLIRWKFJOO-GFCCVEGCSA-N 249.354 3.023 10 40 BGCB Nc1ccc(/N=N/c2ccccc2Cl)c(N)n1 15990245 FMSVBEHFAIKRNX-WUKNDPDISA-N 247.689 3.315 10 40 BGCB COC(=O)c1cc(C)n(-c2cccc(F)c2)c1C 61519074 JRZVOZRSBZGONM-UHFFFAOYSA-N 247.269 3.020 10 40 BGCB Cc1cc(CN)c(C)n1-c1ccccc1Cl 11851009 FKDDGNIEJXESJR-UHFFFAOYSA-N 234.730 3.206 10 40 BGCB Cc1ccc(C)n1-c1ccc(-c2cc[nH]n2)cc1 15987519 HIZICVBMBKOZOF-UHFFFAOYSA-N 237.306 3.484 10 40 BGCB C[C@@H]1Cc2ccccc2N1Cc1ccc(N)cc1 19266509 NNFXKOXPFNSNAW-GFCCVEGCSA-N 238.334 3.220 10 40 BGCB O=C1c2ccc(Cl)cc2C(=O)[C@@H]2C=CC=C[C@H]12 100642886 MPEVIGLDALDDOV-VHSXEESVSA-N 244.677 3.077 10 40 BGCB OCc1cc(/N=N/c2ccccc2)ccc1O 70461644 CMZAYTKEQLRKRA-CCEZHUSRSA-N 228.251 3.300 10 40 BGCB CCNCc1cc(C)n(-c2ccc(F)cc2)c1C 223669634 PYHCLZXJKUDXDF-UHFFFAOYSA-N 246.329 3.343 10 40 BGCB CC1(C)C=C(c2ccc(O)c(O)c2)CC(C)(C)N1 58452 RPYWHKKMPJCLPN-UHFFFAOYSA-N 247.338 3.032 10 40 BGCB CC(=S)c1c(C)cc2cc(C)ccn12 481510 FVRVPIZCEZYCIM-UHFFFAOYSA-N 203.310 3.294 10 40 BGCB OCc1ccc(N=Nc2ccc(CO)cc2)cc1 256168159 GWBHOAAEVUXTGA-UHFFFAOYSA-N 242.278 3.087 10 40 BGCB N#[N+]N(c1ccccc1)c1ccc(N)cc1 20230887 GLWJYGYULKIDTR-UHFFFAOYSA-N 211.248 3.175 10 40 BGCB CCNCc1cc(C)n(-c2ccccc2F)c1C 223669065 XMMCPWCRXJWEOT-UHFFFAOYSA-N 246.329 3.343 10 40 BGCB CCN(CC)c1ccc(CNCC(C)C)cc1 6869670 MMKHYXCSEPBBEC-UHFFFAOYSA-N 234.387 3.278 10 40 BGCB Cc1cc(C)cc(OCc2ccc(N)cc2)c1 11804772 RBAPNTBSAJYXAJ-UHFFFAOYSA-N 227.307 3.465 10 40 BGCB Nc1ccc(OCC2CCCCC2)cc1 14630109 DRHKVTPDSILGSR-UHFFFAOYSA-N 205.301 3.228 10 40 BGCB in-vitro COC(=O)/C(=C/C=C\c1ccccc1)N=[N+]=[N-] 104268180 CLVBIIZLIRGDIZ-MWYRAJAISA-N 229.239 3.067 10 40 BGCB CCCCCCC(=O)Nc1ccc(N)cc1 8703426 JZVPWSAMABVYSN-UHFFFAOYSA-N 220.316 3.178 10 40 BGCB COc1cccc(CCc2ccc(N)cc2)c1 19735535 KVOIZIWCFFTRTE-UHFFFAOYSA-N 227.307 3.063 10 40 BGCB C[n+]1ccccc1/C=C/c1c[nH]c2ccccc12 4385392 DHWBPQRIUWVLJR-UHFFFAOYSA-O 235.310 3.163 10 40 BGCB CCN(Cc1ccco1)Cc1ccccc1O 13993021 QAHITFWUFPBECV-UHFFFAOYSA-N 231.295 3.007 10 40 BGCB Cc1cccc2c(N)c3ccccc3nc12 4428890 DQZVUDZSBQMLJC-UHFFFAOYSA-N 208.264 3.279 10 40 BGCB Cc1cc(/N=N\c2nccs2)c(O)cc1O 104219267 WYTAVGNTSZKJHY-SEYXRHQNSA-N 235.268 3.278 10 40 BGCB Nc1ccc(CCc2ccc(F)cc2)cc1 39403812 WXLZJFFGXPLTEZ-UHFFFAOYSA-N 215.271 3.193 10 40 BGCB CN(C)c1ccc(CCc2ccc(N)cc2)cc1 345905 HWUFKYQLZUADIL-UHFFFAOYSA-N 240.350 3.120 10 40 BGCB Cc1ccc(C)n1-c1cc(Cl)ccn1 98175323 UWKROSUJZLZTPB-UHFFFAOYSA-N 206.676 3.143 10 40 BGCB CC[C@H](C)n1ccc(NCc2ccccc2O)n1 256055095 ZEGYJCDDVWMMPP-NSHDSACASA-N 245.326 3.172 10 40 BGCB Cc1cc(/C=C/[N+](=O)[O-])c(C)n1-c1ccccc1 37624509 QVSRIVYJFITNIO-CMDGGOBGSA-N 242.278 3.342 10 40 BGCB Oc1ccc(C/C=C/c2ccccc2)cc1O 1560382 ZXMQPNKAUNDPRO-QPJJXVBHSA-N 226.275 3.354 10 40 BGCB CCOP(=O)(N=Nc1cccnc1)OCC 301054467 RQXPWBBJWSVZPL-UHFFFAOYSA-N 243.203 3.346 10 40 BGCB CCc1c(C)cn2c1-c1ccc(C)n1CC2 271221 QESRAKJYLNMSEJ-UHFFFAOYSA-N 214.312 3.149 10 40 BGCB C[C@H]1CCCC[C@@H]1Nc1ccc(N)cc1 34939605 JDAREGMFZSXSLW-GWCFXTLKSA-N 204.317 3.259 10 40 BGCB Cc1cc(C=O)c(C)n1-c1ccc(F)cc1F 9239670 MVDLNJHLFFSBDE-UHFFFAOYSA-N 235.233 3.185 10 40 BGCB in-vitro CCCC[C@H](CC)CN1C(=O)CSC1=S 11692212 OZBSCMAKAAMRRB-VIFPVBQESA-N 245.413 3.063 10 40 BGCB [N-]=[N+]=NCC(=O)Nc1ccc(Cl)c(Cl)c1 102829080 ONUOCWZKYHPONU-UHFFFAOYSA-N 245.069 3.242 10 40 BGCB Cc1ccc(/N=N\N(C)C)c2cccnc12 104212066 QJBWGXYFEKXKHA-PFONDFGASA-N 214.272 3.104 10 40 BGCB COC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 60382730 FYKOXKHEJDRUIT-UHFFFAOYSA-N 247.269 3.020 10 40 BGCB CN(C)c1cccc(Oc2ccc(N)cc2)c1 11804888 CIKCSTNDCHSSHE-UHFFFAOYSA-N 228.295 3.127 10 40 BGCB in-vitro CN1N=C(C(C)(C)C)/C(=C\c2cccs2)C1=O 100937641 ZOICNEPCQWKRPY-CSKARUKUSA-N 248.351 3.006 10 40 BGCB Oc1ccccc1CNc1ccc2c(c1)CCC2 19913774 OVJZDJSILAOXDL-UHFFFAOYSA-N 239.318 3.493 10 40 BGCB Nc1ccc(/N=N\c2ccc(O)cc2)cc1 104112451 NCKPQOUTAMSEAO-PFONDFGASA-N 213.240 3.390 10 40 BGCB Nc1ccc(Oc2ccc(Cl)cc2)nc1 166484 POEUJOWYZVKVMS-UHFFFAOYSA-N 220.659 3.110 10 40 BGCB in-vitro Cc1ccc(CCc2ccc(N)cc2)cc1 19735543 CVGYKWKZQVBFKC-UHFFFAOYSA-N 211.308 3.362 10 40 BGCB Cc1ccc(O)c(CN2CC[C@H]3CC[C@@H](C3)C2)c1 101847398 OQMFRLHFAVGPRP-KGLIPLIRSA-N 245.366 3.323 10 40 BGCB Oc1cccc([C@H]2CCNc3ccccc3N2)c1 6732136 BXIXMZPVOUNIFJ-CYBMUJFWSA-N 240.306 3.361 10 40 BGCB CNCc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C 223781972 AIHBYAONNMBODK-NSHDSACASA-N 232.371 3.128 10 40 BGCB CCCCCN(CC)Cc1ccc(N)cc1 35361369 IYUMQWXZBGUUDG-UHFFFAOYSA-N 220.360 3.281 10 40 BGCB COc1ccc(CN=[N+]=[N-])cc1Br 49597168 UZBWQSWASRRNGQ-UHFFFAOYSA-N 242.076 3.268 10 40 BGCB Cc1cccc(C)c1-n1c(C)cc(C(=O)O)c1C 20008723 UWQLTYSOOZNZQM-UHFFFAOYSA-N 243.306 3.409 10 40 BGCB Cc1ccc(C)c(-n2c(C)cc(C(=O)O)c2C)c1 6573300 FENKKPCJJMBWKG-UHFFFAOYSA-N 243.306 3.409 10 40 BGCB CCOC(=O)c1ccccc1-n1c(C)ccc1C 8733449 SYPQYUGJCRJZCP-UHFFFAOYSA-N 243.306 3.271 10 40 BGCB Nc1ccc(CCc2cccc(F)c2)cc1 39403813 OZPIDARUDRKJOF-UHFFFAOYSA-N 215.271 3.193 10 40 BGCB Oc1cccc([C@@H]2CCNc3ccccc3N2)c1 6732137 BXIXMZPVOUNIFJ-ZDUSSCGKSA-N 240.306 3.361 10 40 BGCB CNCc1cc(C)n(-c2ccc(C)c(C)c2)c1C 223667798 MZWWZIKWVVCDTA-UHFFFAOYSA-N 242.366 3.430 10 40 BGCB O[C@@H](C=S)c1cc(Cl)cc(Cl)c1 21303140 LJVVRFDXRXWFKN-QMMMGPOBSA-N 221.108 3.027 10 40 BGCB Cc1ccc(/N=N/c2c(C)nc(N)nc2C)cc1 100057583 MWZRSJXZSBIAHA-ISLYRVAYSA-N 241.298 3.399 10 40 BGCB CC(=S)c1cccc(OC(F)(F)F)c1 228955156 HRZHAHAQTQHZIC-UHFFFAOYSA-N 220.215 3.323 10 40 BGCB Cc1cccc(-n2c(C)cc(C(=O)O)c2C)c1 3220747 IOJALCGKYLGWBU-UHFFFAOYSA-N 229.279 3.101 10 40 BGCB in-vitro Cc1cc(C=O)c(C)n1-c1cc(F)cc(F)c1 19806635 CDRDRAQTTAOYDX-UHFFFAOYSA-N 235.233 3.185 10 40 BGCB CNc1c2ccccc2nc2ccccc12 3651469 BSDDSRKVZZVVQX-UHFFFAOYSA-N 208.264 3.430 10 40 BGCB CCOc1ccc2nc3ccccc3c(N)c2c1 5663474 WAVQYWRRJHRKPB-UHFFFAOYSA-N 238.290 3.369 10 40 BGCB CCN(CC)c1ccc(/C=C/[N+](=O)[O-])c(C)c1 9265628 RATYQVVHOHJXHW-CMDGGOBGSA-N 234.299 3.089 10 40 BGCB Cc1ccc(CN2CC[C@H]3CC[C@@H](C3)C2)c(O)c1 102858935 ILSQZOMLDXGFOV-KGLIPLIRSA-N 245.366 3.323 10 40 BGCB Oc1c(O)c2ccccc2c2ccccc12 3860668 ODUSUXJNDWKJKH-UHFFFAOYSA-N 210.232 3.404 10 40 BGCB in-vitro C[C@@H]1CCCC[C@@H]1Nc1ccc(N)cc1 34939604 JDAREGMFZSXSLW-MFKMUULPSA-N 204.317 3.259 10 40 BGCB Cc1n[nH]c(C)c1/N=N/c1cccnc1Cl 5530942 BWQUOGQRYSXVIG-FOCLMDBBSA-N 235.678 3.490 10 40 BGCB CC1=[N+](Cc2cc(C)cc(C)c2O)CCCC1 1621776 FBSAYORPIUIACN-UHFFFAOYSA-O 232.347 3.166 10 40 BGCB CN(C)/N=N/c1ccc(Cl)c2ncccc12 18098216 QLKIYHBCONVGMS-CCEZHUSRSA-N 234.690 3.449 10 40 BGCB COc1ccc(Cl)cc1/N=N/c1ncc[nH]1 13719799 IXQGZPLNCYHNKT-CCEZHUSRSA-N 236.662 3.487 10 40 BGCB CC1=[SH]c2nc(Cl)nc(Cl)c2[C@@H]1C 242750653 ZUNOTSDEWBYPSE-GSVOUGTGSA-N 235.139 2.917 10 40 BGCB Nc1sccc1C(=O)c1cccc(Cl)c1 27301739 GBRZBOLETHQVDI-UHFFFAOYSA-N 237.711 3.215 10 40 BGCB CC(=O)c1cc(C)n(-c2ccccc2)c1C 9239674 JOOMTMQCSPCJKK-UHFFFAOYSA-N 213.280 3.297 10 40 BGCB COc1cccc(CNc2ccccc2F)c1O 19944408 XLBLNYHJGIYRIH-UHFFFAOYSA-N 247.269 3.152 10 40 BGCB Cc1ccc(C)n1-c1ccc(C(=O)O)c(Cl)c1 244529 LNAUEAGSVLKUBO-UHFFFAOYSA-N 249.697 3.446 10 40 BGCB C[C@H]1CCCN(c2ccc([C@@H](C)N)cc2F)C1 19872097 YRTMZNJRCHCSQU-WDEREUQCSA-N 236.334 3.082 10 40 BGCB CC[C@H](C)NCc1ccc(N(CC)CC)cc1 6870772 CULMSAFPCZWOAC-ZDUSSCGKSA-N 234.387 3.421 10 40 BGCB COC(=O)/C(=C\C=C/c1ccccc1)N=[N+]=[N-] 104268175 CLVBIIZLIRGDIZ-TWGJSUAUSA-N 229.239 3.067 10 40 BGCB COc1ccccc1/N=N/c1nc(C)c[nH]1 18194697 CALALVDNYJFQTO-CCEZHUSRSA-N 216.244 3.142 10 40 BGCB O=NNc1c2ccccc2nc2ccccc12 5939868 OKKMSVGUXRXMHD-UHFFFAOYSA-N 223.235 3.481 10 40 BGCB Nc1ccc(Oc2ccc(Cl)cn2)cc1 36667286 QBVYTFQMWSDIJO-UHFFFAOYSA-N 220.659 3.110 10 40 BGCB in-vitro C[C@H](NCc1ccccc1O)[C@@H]1C[C@@H]2CC[C@@H]1C2 100812557 IXHLRFQDFRFVDP-JLNYLFASSA-N 245.366 3.307 10 40 BGCB COc1ccc(CNc2ccc(O)cc2)cc1 17083846 MIZVFVARBVQZAV-UHFFFAOYSA-N 229.279 3.013 10 40 BGCB in-vitro Nc1ccc(/N=N\c2ccccc2)c(N)c1 96034862 IWRVPXDHSLTIOC-NXVVXOECSA-N 212.256 3.266 10 40 BGCB CCN1c2cc(F)c(CN)cc2C(C)=CC1(C)C 223796340 QYVXDGCBYDDOAI-UHFFFAOYSA-N 248.345 3.306 10 40 BGCB C[C@@H](NC1CCCCC1)c1ccc(O)cc1O 1714968 GJKVJPZYMQXSOV-SNVBAGLBSA-N 235.327 3.081 10 40 BGCB COc1ccc(-n2c(C)cc(C(C)=O)c2C)cc1 9239678 HPARFBSRTYUWSI-UHFFFAOYSA-N 243.306 3.305 10 40 BGCB [N-]=[N+]=NCC(=O)c1ccc2ccccc2c1 108433072 BSHJQZSIINMONZ-UHFFFAOYSA-N 211.224 3.333 10 40 BGCB COc1ccc(Cc2cc(O)c(O)cc2C)cc1 1560386 JAZQZZXWENNEBA-UHFFFAOYSA-N 244.290 3.006 10 40 BGCB CN(Cc1ccc(N)cc1)C1CCCCC1 22213821 YPTNMNZRENMCMM-UHFFFAOYSA-N 218.344 3.033 10 40 BGCB Nc1cccc([N+]([O-])=Nc2ccccc2)c1 245238721 ADXFUGOBWZSZNC-UHFFFAOYSA-N 213.240 3.195 10 40 BGCB CC[C@H](N=[N+]=[N-])C(=O)Nc1cc(C)ccc1C 101353345 WSYDDXSWPRQHBC-JTQLQIEISA-N 232.287 3.331 10 40 BGCB Cc1cccc(-n2c(C)cc(CN)c2C)c1C 11851005 KRWLMHAUQIEWAR-UHFFFAOYSA-N 228.339 3.170 10 40 BGCB CC1CCC(NCc2ccccc2O)CC1 19917836 DALMSJHTGXOUNX-UHFFFAOYSA-N 219.328 3.061 10 40 BGCB Oc1ccc(-c2ccc(Cl)cc2)cc1O 6093378 SCKSZDPELRSPES-UHFFFAOYSA-N 220.655 3.418 10 40 BGCB COc1ccc(-n2c(C)ccc2C)cc1OC 32016081 BJYCFPNFKPOLJK-UHFFFAOYSA-N 231.295 3.111 10 40 BGCB Nc1ccc([C@@H]2CCNc3ccccc3N2)cc1 6732142 RGZNZJMQRLSGCW-ZDUSSCGKSA-N 239.322 3.238 10 40 BGCB CCCCc1ccc(NC(=O)CN=[N+]=[N-])cc1 100035883 KYBSTGQWJCBSEB-UHFFFAOYSA-N 232.287 3.278 10 40 BGCB CCN1c2ccc(CN)cc2[C@H](C)CC1(C)C 260716868 GTJOLNAXMXWPMK-LLVKDONJSA-N 232.371 3.257 10 40 BGCB COc1ccc2c(c1)C(C)=CC(C)(C)N2C 6659386 SUBDNRDGTKUAOC-UHFFFAOYSA-N 217.312 3.327 10 40 BGCB CC(C)C[C@@H]1CC(=O)C(=O)[C@H](CC(C)C)C1 1577666 YCICYKYPPBIUMJ-NWDGAFQWSA-N 224.344 3.243 10 40 BGCB [O-]/[N+](=N/c1cccc(O)c1)c1cccc(O)c1 100068124 FZZROTIREDKBGJ-BUHFOSPRSA-N 230.223 3.024 10 40 BGCB CCN(Cc1ccccc1)c1ccc(N)cc1 4244094 NDFBOKSIVYNZSI-UHFFFAOYSA-N 226.323 3.295 10 40 BGCB Oc1ccc(Cl)cc1CNC1CCCC1 4715534 QUZFYTAURGZVOE-UHFFFAOYSA-N 225.719 3.078 10 40 BGCB Cc1ccnc(NCc2ccc(N(C)C)cc2)c1 804328 LKWIHHSRRZVGAD-UHFFFAOYSA-N 241.338 3.068 10 40 BGCB Cc1ccc(-n2c(C)cc(C(=O)O)c2C)cc1C 19949257 FBBCNUFBMYCECG-UHFFFAOYSA-N 243.306 3.409 10 40 BGCB c1cnc2ccc(/N=N/c3ncc[nH]3)cc2c1 18192353 VGXLLGCAWFYDQZ-WUKNDPDISA-N 223.239 3.373 10 40 BGCB Nc1ccc(Oc2ccnc(Cl)c2)cc1 96837485 RNWUHCOVYJVAMR-UHFFFAOYSA-N 220.659 3.110 10 40 BGCB in-vitro Cc1ccc(C)n1-c1ccc(S)cc1 8701910 XDTKHAYZAMOXJV-UHFFFAOYSA-N 203.310 3.383 10 40 BGCB CN(C)c1ccc(CNCc2ccccc2)cc1 784582 RIGVUXXPGPTPSL-UHFFFAOYSA-N 240.350 3.042 10 40 BGCB COc1ccc(-c2nc(CN=[N+]=[N-])c(C)o2)cc1 98212434 BJUICLZTHJZNOS-UHFFFAOYSA-N 244.254 3.469 10 40 BGCB CN(C)/N=N/c1ccc(Br)cc1 18176343 LFGYQNAHFGPILM-ZHACJKMWSA-N 228.093 3.009 10 40 BGCB COC(=O)c1cc(C)n(-c2cccc(C)c2)c1C 57759194 QPWBOKYBOSNSPQ-UHFFFAOYSA-N 243.306 3.189 10 40 BGCB CC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 9239677 RCXKOSQHKYUPLZ-UHFFFAOYSA-N 231.270 3.436 10 40 BGCB CN(C)c1ccc(/C=C/c2ccccn2)cc1 4520929 BKJUFUDGHOBEFF-RMKNXTFCSA-N 224.307 3.318 10 40 BGCB C[C@H](Cc1cccs1)NCc1ccccc1O 36992653 GUSLERXVCZNUDT-LLVKDONJSA-N 247.363 3.175 10 40 BGCB CN/C=C1/C=C(c2ccccc2)SC1=S 101701771 XMWQGVDZWAVUCE-NTMALXAHSA-N 233.361 3.205 10 40 BGCB C[C@H](c1ccccc1)c1ccc(O)c(O)c1 3357967 CHNLLBGJIBFQKK-SNVBAGLBSA-N 214.264 3.250 10 40 BGCB Cc1ccc(C)n1-c1ccc(Cl)cc1C(=O)O 244527 ZUNYXBKRXNVRLI-UHFFFAOYSA-N 249.697 3.446 10 40 BGCB CCc1ccc(-n2c(C)cc(CN)c2C)cc1 11851004 HPNLWZXVTLXZHI-UHFFFAOYSA-N 228.339 3.115 10 40 BGCB CN(C)/N=N/c1ccc(C(F)(F)F)cc1 17858660 GAHZSIUOAYYZPO-BUHFOSPRSA-N 217.194 3.266 10 40 BGCB CC(C)(COc1ccc(N)cc1)C(F)(F)F 1083811797 QAQQMLCAMNUDAQ-UHFFFAOYSA-N 233.233 3.236 10 40 BGCB CC(C)(C)OC(=O)NCCCCCCN=[N+]=[N-] 16696930 KOVHBVRTWMFCGJ-UHFFFAOYSA-N 242.323 3.382 10 40 BGCB in-vitro COCCc1ccc(Oc2ccc(N)cc2)cc1 37429172 LAMBGFNJFVIJCF-UHFFFAOYSA-N 243.306 3.250 10 40 BGCB in-vitro Oc1ccc(F)cc1CNc1ccccc1 83348914 DYGZBVUXTRXLCH-UHFFFAOYSA-N 217.243 3.143 10 40 BGCB CC(=S)c1cc(F)c(F)cc1Cl 228955220 QJAGVLFFQLDRLK-UHFFFAOYSA-N 206.644 3.356 10 40 BGCB CC(C)(C)[C@@H]1CC(=O)C(=O)[C@H](C(C)(C)C)C1 203408664 FJKPAFXEDRMYMO-VHSXEESVSA-N 224.344 3.243 10 40 BGCB CCCc1ccc(C=O)n1Cc1ccccc1 226026111 XHQVLUBRMHGOOE-UHFFFAOYSA-N 227.307 3.301 10 40 BGCB C[C@@H](Cc1cccs1)NCc1ccccc1O 36992652 GUSLERXVCZNUDT-NSHDSACASA-N 247.363 3.175 10 40 BGCB CCCN(CCC)/N=N\c1cccnc1 104127148 ANIPTMCBWCJJRV-YPKPFQOOSA-N 206.293 3.202 10 40 BGCB COc1ccc(Br)cc1CN=[N+]=[N-] 49597167 FMNRYYHOVPYUBJ-UHFFFAOYSA-N 242.076 3.268 10 40 BGCB COc1ccc(CCc2ccc(N)cc2)cc1 19735539 VDAMOOIQBFTFRL-UHFFFAOYSA-N 227.307 3.063 10 40 BGCB CCOC(=O)c1cccc(-n2c(C)ccc2C)c1 487305 BNMHUEKMXWUBGV-UHFFFAOYSA-N 243.306 3.271 10 40 BGCB CCCc1ccc(CO)n1Cc1ccc(F)cc1 226026183 URQUKDNFIWTSCX-UHFFFAOYSA-N 247.313 3.120 10 40 BGCB Cc1ccc(C(=O)C(=O)c2ccccc2)c(C)c1 1705209 NDGZJWZVEXFYMT-UHFFFAOYSA-N 238.286 3.369 10 40 BGCB Cc1ccc(-n2c(C)cc(CN)c2C)cc1F 34936148 NTEQAOGVUWNMRD-UHFFFAOYSA-N 232.302 3.000 10 40 BGCB Cc1cc(O)c2cc3c(O)c(O)ccc3cc2c1 1693303 CBEBNXQBODNTIB-UHFFFAOYSA-N 240.258 3.418 10 40 BGCB biogenic C[C@H](N)c1ccc(N2CCCCCC2)c(F)c1 19872113 BCWQQKBMIRDWRS-NSHDSACASA-N 236.334 3.226 10 40 BGCB Cc1ccc2nc(Cc3ccc(N)cc3)oc2c1 215288 ZNLFWZMTRFKKRA-UHFFFAOYSA-N 238.290 3.309 10 40 BGCB Oc1ccc2ccccc2c1CN1CCCC1 548724 YRXPWVCSCXEVLJ-UHFFFAOYSA-N 227.307 3.141 10 40 BGCB Cc1cc(CN(C)C)c(C)n1-c1ccccc1 5930650 PJVDAMDKXBEUFX-UHFFFAOYSA-N 228.339 3.156 10 40 BGCB O[C@H](C=S)c1cc(Cl)cc(Cl)c1 100039537 LJVVRFDXRXWFKN-MRVPVSSYSA-N 221.108 3.027 10 40 BGCB CN(c1ccc(N)cc1)C1CCCCC1 19257457 HRWISXKIRICFAN-UHFFFAOYSA-N 204.317 3.038 10 40 BGCB Cc1cc(C(=O)O)c(C)n1-c1ccc(Cl)cc1 106734 CCMUJMMWBQLMFO-UHFFFAOYSA-N 249.697 3.446 10 40 BGCB Cc1cccc(-n2c(C)cc(CO)c2C)c1C 8701698 TXSJUUKMXZFSIQ-UHFFFAOYSA-N 229.323 3.203 10 40 BGCB CCN(CC)c1ccc(CNC(C)(C)C)cc1 6869652 MOMHYSQQNLFUOW-UHFFFAOYSA-N 234.387 3.421 10 40 BGCB CCCCCC/C(C)=C1/SC(=S)NC1=O 3160768 BACSRAZDDCGUQS-CMDGGOBGSA-N 243.397 3.379 10 40 BGCB [N-]=[N+]=NCC(=O)c1ccc(Cl)c(Cl)c1 107339267 MVTRWEHZAMPYIM-UHFFFAOYSA-N 230.054 3.486 10 40 BGCB CCc1ccc(NC(=O)[C@H](CC)N=[N+]=[N-])cc1 101353352 HGRVLRZYWLHCGR-NSHDSACASA-N 232.287 3.276 10 40 BGCB Nc1ccc(Cc2nc3c(s2)CCCC3)cc1 19779321 ALHYPVWPPRSFKM-UHFFFAOYSA-N 244.363 3.195 10 40 BGCB CCc1ccc(C(=O)Nc2ccc(N)cc2)cc1 19410813 QGDNIGCNNBHOGS-UHFFFAOYSA-N 240.306 3.084 10 40 BGCB Cc1ccc(C)c(COc2ccc(C)nc2N)c1 83201 IYLWJTCYIKKOBV-UHFFFAOYSA-N 242.322 3.168 10 40 BGCB CO/N=[N+]([O-])/C=C/c1cccc2ccccc12 12417239 DZLIJWSVSKAZSV-WHCIUJLISA-N 228.251 3.334 10 40 BGCB Nc1cccc(N=Nc2cccc(N)c2)c1 245241041 WNXAHYZTHTXSLW-UHFFFAOYSA-N 212.256 3.266 10 40 BGCB CCCC[C@@H](CC)C(=O)Nc1ccc(N)cc1 2728349 RQKWUDCZCPFPTA-LLVKDONJSA-N 234.343 3.424 10 40 BGCB FC(F)(F)C(=S)Cc1ccccc1 228976472 USJVKOPORJPSQF-UHFFFAOYSA-N 204.216 3.161 10 40 BGCB CC(C)CC1=C/C(=C\c2ccco2)C(=O)O1 5632805 GQAQMODYIXRCPZ-JXMROGBWSA-N 218.252 3.150 10 40 BGCB biogenic C1CCCN(/N=N\N2CCCCCC2)CC1 31730019 CVPJFMQGAADGOO-YPKPFQOOSA-N 224.352 3.021 10 40 BGCB CNCc1cc2c(cc1C)N(C)C(C)(C)C[C@@H]2C 223782517 ATFHOQGBMSMOEM-LBPRGKRZSA-N 246.398 3.436 10 40 BGCB CCOc1ccccc1NC(=O)[C@H](CC)N=[N+]=[N-] 2298164669 DLZHFVVJWPAWNM-VIFPVBQESA-N 248.286 3.113 10 40 BGCB CC(=S)c1cc(F)c(Cl)cc1F 228976851 HZPWWHOZLDFCBN-UHFFFAOYSA-N 206.644 3.356 10 40 BGCB CN(C)c1ccc(N=Nc2nccs2)c(O)c1 299888384 HEUQJWXRYWVQNM-UHFFFAOYSA-N 248.311 3.330 10 40 BGCB CC[C@@H](N=[N+]=[N-])C(=O)Nc1cc(C)ccc1C 101353346 WSYDDXSWPRQHBC-SNVBAGLBSA-N 232.287 3.331 10 40 BGCB Nc1ccc(CCCc2ccc(N)cc2)cc1 1556072 BMIUMBLWVWZIHD-UHFFFAOYSA-N 226.323 3.026 10 40 BGCB CCOc1ccc(N2[C@H](C)CC[C@H]2C)cc1N 8732791 NAEDRXWGEFBISW-GHMZBOCLSA-N 234.343 3.045 10 40 BGCB CCN1c2cc(C)c(CN)cc2C(C)=CC1(C)C 223795652 AWGJOPIUWROPSF-UHFFFAOYSA-N 244.382 3.476 10 40 BGCB O=C(O)c1ccccc1/N=N/Nc1ccccc1 5080965 JZFJTFXWDKRXKK-UHFFFAOYSA-N 241.250 3.496 10 40 BGCB CC(C)CC[C@H](C)NC(=O)c1cc(O)cs1 101072555 VCEHKEAVOIBVDG-VIFPVBQESA-N 241.356 3.008 10 40 BGCB CC[C@@H](C)n1ccc(NCc2ccccc2O)n1 256055094 ZEGYJCDDVWMMPP-LLVKDONJSA-N 245.326 3.172 10 40 BGCB CC(=S)Cc1cccc(Br)c1 228949495 AMYYNNJNZSJFRJ-UHFFFAOYSA-N 229.142 3.381 10 40 BGCB CCN(CC)c1ccc(/N=N\c2nc[nH]n2)cc1 18043169 KTKFBJWQVDOLMK-ICFOKQHNSA-N 244.302 3.066 10 40 BGCB C[n+]1ccccc1/C=C/c1cccc2cccnc12 5002308 GBAQQOAINBEIAF-UHFFFAOYSA-N 247.321 3.230 10 40 BGCB [N-]=[N+]=NCc1cccc(Br)c1 36420801 GXOCMECOGWAHFX-UHFFFAOYSA-N 212.050 3.259 10 40 BGCB CC(C)(C)[C@H]1CC(=O)C(=O)[C@@H](C(C)(C)C)C1 203408637 FJKPAFXEDRMYMO-ZJUUUORDSA-N 224.344 3.243 10 40 BGCB Cc1ccc(C)n1-c1ccc(OC(C)C)c(N)c1 8702386 IMWOYZOXJPMVQW-UHFFFAOYSA-N 244.338 3.464 10 40 BGCB CC(=O)Oc1ccc(-n2c(C)ccc2C)cc1 5337686 NEUYMNBPJMMLPL-UHFFFAOYSA-N 229.279 3.019 10 40 BGCB Cc1cc(C)c2c(c1)C(=O)c1ccccc1C2=O 5212246 ADHYTCPJVXOAJX-UHFFFAOYSA-N 236.270 3.079 10 40 BGCB COc1cccc(-n2c(C)cc(C(C)=O)c2C)c1 32101178 PAURXNMSOODOFF-UHFFFAOYSA-N 243.306 3.305 10 40 BGCB Cc1nn(C(C)C)cc1NCc1ccccc1O 256055136 ZIQHCYXZIMQKOO-UHFFFAOYSA-N 245.326 3.090 10 40 BGCB C[C@H]1CC(C)(C)N(C)c2cc(F)c(CN)cc21 223780993 PTVRSMLWEKJDKV-VIFPVBQESA-N 236.334 3.006 10 40 BGCB O=C(O)c1ccccc1/N=N/c1ccc[nH]1 5583822 OPXFZKRNJNJOHF-BUHFOSPRSA-N 215.212 3.128 10 40 BGCB CC(C)C[C@H]1CC(=O)C(=O)[C@H](CC(C)C)C1 1577667 YCICYKYPPBIUMJ-VXGBXAGGSA-N 224.344 3.243 10 40 BGCB CCCCNCc1c(O)ccc2ccccc12 1594251 ZGCDLHSPBVMTTH-UHFFFAOYSA-N 229.323 3.435 10 40 BGCB Nc1ccc(N=Nc2ccc(O)cc2)cc1 263603078 NCKPQOUTAMSEAO-UHFFFAOYSA-N 213.240 3.390 10 40 BGCB Oc1ccc([C@@H]2C[C@@H]3CC[C@H]2C3)cc1O 2130615 JARXDSZNTUVDEE-WCABBAIRSA-N 204.269 3.001 10 40 BGCB CSc1ncc(-c2ccc(C)cc2)n1C 44085232 NIJLIEGXAPLXNM-UHFFFAOYSA-N 218.325 3.117 10 40 BGCB CCOc1cccc(CN2CCC[C@H](C)C2)c1O 23282169 SGXRZLIRWKFJOO-LBPRGKRZSA-N 249.354 3.023 10 40 BGCB COC(=O)c1cc(C)n(-c2ccc(C)cc2)c1C 1734656 DKFDJWNTLBNCMK-UHFFFAOYSA-N 243.306 3.189 10 40 BGCB Nc1ccc(OC[C@H]2C[C@@H]2c2ccccc2)cc1 85395192 OSMSZZVKTRMJQX-CZUORRHYSA-N 239.318 3.451 10 40 BGCB O=S(=O)(/N=N/c1ccccc1)c1ccccc1 34133204 UXJZPCIHOLWTQX-BUHFOSPRSA-N 246.291 3.159 10 40 BGCB NCCCN1c2ccccc2Oc2ccccc21 59210744 NQMMSXVDMCIGIK-UHFFFAOYSA-N 240.306 3.279 10 40 BGCB CC(C)(C)NCc1c(O)ccc2ccccc12 1701326 JYAJSVKGDCGMEQ-UHFFFAOYSA-N 229.323 3.434 10 40 BGCB CCCc1ccc(C=O)n1Cc1ccc(F)cc1 226026172 LNVHSWGKFMSVGE-UHFFFAOYSA-N 245.297 3.441 10 40 BGCB CC(C)C[C@@H]1CC(=O)C(=O)[C@@H](CC(C)C)C1 1577668 YCICYKYPPBIUMJ-RYUDHWBXSA-N 224.344 3.243 10 40 BGCB Cc1cc(C(=O)O)c(C)n1-c1cccc(Cl)c1 19949328 SNPBYQCWMKALIT-UHFFFAOYSA-N 249.697 3.446 10 40 BGCB Oc1ccc2cc(Br)ccc2c1O 1593840 JVZOXMLANXHNIZ-UHFFFAOYSA-N 239.068 3.014 10 40 BGCB CCOC(=O)c1cc(C)n(-c2ccccc2)c1C 113295 LNBCSWPBLZPWKQ-UHFFFAOYSA-N 243.306 3.271 10 40 BGCB Cc1cc(CO)c(C)n1-c1ccccc1Cl 8701652 LKPMFCAATAHGLI-UHFFFAOYSA-N 235.714 3.240 10 40 BGCB Cc1cccc(OCCOc2ccc(N)cc2)c1 8703290 ZHCBSPWEMFQTSJ-UHFFFAOYSA-N 243.306 3.035 10 40 BGCB Nc1c(/N=N/c2ccccc2)ccc2nonc12 4595806 ZUKVGNCKGQXBGE-CCEZHUSRSA-N 239.238 3.220 10 40 BGCB CC[C@H](C)NCc1c(O)ccc2ccccc12 19881988 HNXFNTOVWDIQKT-NSHDSACASA-N 229.323 3.434 10 40 BGCB Cc1ccc(C)n1-c1cc(Cl)ccc1O 95470853 HAEVGEAKPPSCOE-UHFFFAOYSA-N 221.687 3.453 10 40 BGCB Cc1cc(C)cc(-n2c(C)cc(CO)c2C)c1 8701606 ZQXYSBQUCDQVDF-UHFFFAOYSA-N 229.323 3.203 10 40 BGCB COc1ccc(NCc2ccccc2O)cc1F 37290445 QRIXFCIYCFPAPW-UHFFFAOYSA-N 247.269 3.152 10 40 BGCB Cc1n[nH]c(C)c1/N=N/c1ccccc1C(=O)O 39327463 CKRXJGQEJPHSNS-FOCLMDBBSA-N 244.254 3.140 10 40 BGCB C[C@@H](NCc1ccccc1O)[C@H]1C[C@@H]2CC[C@@H]1C2 100812563 IXHLRFQDFRFVDP-RGCMKSIDSA-N 245.366 3.307 10 40 BGCB CCNc1nnc(/N=N\c2ccccc2)s1 104153277 UGZZJWBXAZMESJ-OWBHPGMISA-N 233.300 3.385 10 40 BGCB COC(=O)c1cc(C)n(-c2ccccc2C)c1C 58110360 YBPLXZRRCYVFFA-UHFFFAOYSA-N 243.306 3.189 10 40 BGCB Cc1ccc(-n2c(C)cc(CN(C)C)c2C)cc1 226033179 HPNFTPAAEQFSAL-UHFFFAOYSA-N 242.366 3.464 10 40 BGCB COc1ccccc1/N=N/c1c(C)nn(C)c1C 4478144 UFQBFNGXGJODFI-CCEZHUSRSA-N 244.298 3.461 10 40 BGCB C[C@H]1CCCCN1c1ccc([C@@H](C)N)cc1 15937445 IXUBJEJWOXWWDA-NWDGAFQWSA-N 218.344 3.085 10 40 BGCB CCOC(=O)c1sc(-c2ccccc2)cc1O 9596220 UYGIKZWNROPVTI-UHFFFAOYSA-N 248.303 3.297 10 40 BGCB CC(=O)Nc1ccccc1-n1c(C)ccc1C 1406438 OWPHNUQVXMJLJA-UHFFFAOYSA-N 228.295 3.053 10 40 BGCB Oc1ccc([C@H]2C[C@H]3CC[C@@H]2C3)cc1O 506377 JARXDSZNTUVDEE-NGZCFLSTSA-N 204.269 3.001 10 40 BGCB O=[N+]([O-])c1ccc(/N=N/c2ccccn2)cc1 100478255 QHUTXHQNXZIYQG-BUHFOSPRSA-N 228.211 3.405 10 40 BGCB CCc1ccc(CO)n1Cc1ccc(Cl)cc1 226022541 BLQGXBUCGAKQOJ-UHFFFAOYSA-N 249.741 3.245 10 40 BGCB CNCc1cc(C)n(-c2ccc(Cl)cc2)c1C 223671298 ZEDGJAUFNDEDQC-UHFFFAOYSA-N 248.757 3.467 10 40 BGCB C[C@H](NC1CCCCC1)c1ccc(O)cc1O 6487619 GJKVJPZYMQXSOV-JTQLQIEISA-N 235.327 3.081 10 40 BGCB CCc1ccc(-n2c(C)cc(C(=O)O)c2C)cc1 20285212 WOHUBFPVLCXMLQ-UHFFFAOYSA-N 243.306 3.355 10 40 BGCB Cc1cc(C)cc(-n2c(C)cc(C(=O)O)c2C)c1 19949273 URQKYHJWPFGROI-UHFFFAOYSA-N 243.306 3.409 10 40 BGCB CCOc1ccc(-n2c(C)ccc2C)cc1N 8702385 HMTAEKRYKMVVKX-UHFFFAOYSA-N 230.311 3.075 10 40 BGCB CSc1ccc(-n2c(C)cc(CN)c2C)cc1 34936126 ZHHFEZSCYAFCTO-UHFFFAOYSA-N 246.379 3.275 10 40 BGCB CC(=O)Nc1cccc(Oc2ccc(N)cc2)c1 14630135 OLXMEIJWSTVOJG-UHFFFAOYSA-N 242.278 3.020 10 40 BGCB Cc1ccc(C(=O)OC(C)C)cc1/N=N/N(C)C 18099699 NIVIIISQCOCKFV-CCEZHUSRSA-N 249.314 3.121 10 40 BGCB CC(C)CCn1ccc2cc(N)ccc21 36949947 CWIZKTHDDBOQEU-UHFFFAOYSA-N 202.301 3.270 10 40 BGCB CC[C@@H]1CCCCN1c1ccc(N)cc1 8701172 XGWIXRNBRRJERQ-GFCCVEGCSA-N 204.317 3.038 10 40 BGCB CC(=O)OC(C)(C)/N=N\[C@H](C)Cc1ccccc1 100235108 HRQZDDYGSWZPMZ-YZSSSTSJSA-N 248.326 3.369 10 40 BGCB Nc1ccc(/N=N/c2ccc(O)cc2)cc1 17859231 NCKPQOUTAMSEAO-CCEZHUSRSA-N 213.240 3.390 10 40 BGCB COC(=O)c1cc(C)n(-c2ccccc2F)c1C 223706696 YBMCKJOSZPRATP-UHFFFAOYSA-N 247.269 3.020 10 40 BGCB CCNCc1cc(C)n(-c2ccccc2)c1C 34938195 KPCGDZSGUQTIOX-UHFFFAOYSA-N 228.339 3.204 10 40 BGCB Nc1ccc(CC(=O)Sc2ccccc2)cc1 225396121 PGNTYFPXXDXBOT-UHFFFAOYSA-N 243.331 3.130 10 40 BGCB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)O)c1 266941 ZKMKAGTWPRBWAK-UHFFFAOYSA-N 249.697 3.446 10 40 BGCB Cc1ccc(/N=N\c2c(C)nc(N)nc2C)cc1 18142128 MWZRSJXZSBIAHA-ZCXUNETKSA-N 241.298 3.399 10 40 BGCB O=C1c2ccc(Cl)cc2C(=O)[C@H]2C=CC=C[C@H]12 100642887 MPEVIGLDALDDOV-UWVGGRQHSA-N 244.677 3.077 10 40 BGCB [O-][n+]1c2ccccc2nc2ccc3ccccc3c21 6118304 QOEUHFSHKLIUGS-UHFFFAOYSA-N 246.269 3.175 10 40 BGCB Cc1ccc(/N=N\c2sc(=O)[nH]c2C)cc1 67351125 FPTYOGCZNXLWLA-YPKPFQOOSA-N 233.296 3.469 10 40 BGCB Nc1sccc1C(=O)c1ccc(Cl)cc1 415521 HFLMHMGIVXQGIB-UHFFFAOYSA-N 237.711 3.215 10 40 BGCB aggregator Oc1ccc(/N=N/c2cc(O)cc(O)c2)cc1 95557904 AVZQUPWHMPXTCT-BUHFOSPRSA-N 230.223 3.219 10 40 BGCB in-vitro CC(C)(/N=N/c1ccc(Cl)cc1)[N+](=O)[O-] 18046541 YQKNYCGFZIERHL-VAWYXSNFSA-N 227.651 3.437 10 40 BGCB CNCc1cc(C)n(-c2cc(C)cc(C)c2)c1C 223668418 GMDCVFNAGFLMFE-UHFFFAOYSA-N 242.366 3.430 10 40 BGCB CCc1ccc(C=O)n1Cc1ccc(F)cc1 226022452 WIJFYVGMUXTHMV-UHFFFAOYSA-N 231.270 3.050 10 40 BGCB Cc1ccc(C)n1-c1ccc(-c2nnco2)cc1 3293171 FCBHZMILZLUAHR-UHFFFAOYSA-N 239.278 3.144 10 40 BGCB Cc1ccc(-n2c(C)cc(CC(=O)O)c2C)cc1 3888870 UUVCVTSSMHFGDP-UHFFFAOYSA-N 243.306 3.030 10 40 BGCB Nc1ccc(OC[C@@H]2C[C@H]2c2ccccc2)cc1 85395198 OSMSZZVKTRMJQX-BBRMVZONSA-N 239.318 3.451 10 40 BGCB C[C@@H](N)c1ccc(N2CCCC[C@H]2C)cc1 35401819 IXUBJEJWOXWWDA-VXGBXAGGSA-N 218.344 3.085 10 40 BGCB CNCc1ccc2c(c1)C(C)=CC(C)(C)N2C 223797065 GSLOWMVHNORUHK-UHFFFAOYSA-N 230.355 3.038 10 40 BGCB CC(=O)c1ccc(Cc2ccc(N)cc2)cc1 1556472 MIYRLIIUQWNMJL-UHFFFAOYSA-N 225.291 3.062 10 40 BGCB COc1ccc(OC)c(/N=N/c2nc(C)c[nH]2)c1 18194698 ZXAJNMNHAKGEPY-FOCLMDBBSA-N 246.270 3.151 10 40 BGCB CCN(CC)Cc1c(O)ccc2ccccc12 552014 WXECJRDZWHLBGJ-UHFFFAOYSA-N 229.323 3.387 10 40 BGCB O=C(C(=O)c1ccc(Cl)cc1)c1ccccc1 2170331 QDCKVAZDINMMHO-UHFFFAOYSA-N 244.677 3.406 10 40 BGCB in-vivo Nc1n[nH]cc1/N=N/c1ccc(Cl)cc1 13468878 ONWPQQGRHOJOSP-BUHFOSPRSA-N 221.651 3.061 10 40 BGCB COc1cccc(CNc2cccc(F)c2)c1O 19920728 KMIYAWLWRHAWTI-UHFFFAOYSA-N 247.269 3.152 10 40 BGCB Cc1ccc(/N=N\c2ccc(O)c(=O)cc2)cc1 18038441 XXYWHJBFCHGAQK-NXVVXOECSA-N 240.262 3.476 10 40 BGCB Nc1ccc(NC(=S)Nc2ccccc2)cc1 13597771 BPFUTHPEILBSRX-UHFFFAOYSA-N 243.335 3.078 10 40 BGCB CCNCc1ccc2c(c1)C(C)=CC(C)(C)N2C 223799120 BQYXNPIMSOSXMQ-UHFFFAOYSA-N 244.382 3.428 10 40 BGCB CNCc1cc2c(cc1C)N(C)C(C)(C)C=C2C 223797475 CGBDSJKYWLFQAY-UHFFFAOYSA-N 244.382 3.346 10 40 BGCB Cc1ccc(C(=O)C(=O)c2ccco2)c(Cl)c1 409196728 WQCKVCUDKAADSS-UHFFFAOYSA-N 248.665 3.307 10 40 BGCB Cc1cc(O)c(CN2CCC(C)CC2)cc1C 57395169 XHXUVJBEUJCFAS-UHFFFAOYSA-N 233.355 3.241 10 40 BGCB CCOc1cccc(Oc2ccc(N)cc2)c1 14630154 BBAMFGKQKILOIP-UHFFFAOYSA-N 229.279 3.460 10 40 BGCB CC(=O)OC(C)(C)/N=N\[C@@H](C)Cc1ccccc1 100235106 HRQZDDYGSWZPMZ-YOJQOHNYSA-N 248.326 3.369 10 40 BGCB Cc1ccc(C)n1-c1cc(N)ccc1OC(C)C 8702392 HPLXJYMWJKWZNR-UHFFFAOYSA-N 244.338 3.464 10 40 BGCB COc1ccccc1/N=N/c1c(C)n[nH]c1C 18275850 QCGISKLKAPGJMY-FOCLMDBBSA-N 230.271 3.451 10 40 BGCB Cc1ccc(C)n1-c1ncccc1C1=NCCC1 72216803 BROLHPLLYMYGMU-UHFFFAOYSA-N 239.322 3.072 10 40 BGCB Cc1ccc(C)n1-c1ccc2snnc2c1 4054623 XWFICSDAOOIJRO-UHFFFAOYSA-N 229.308 3.099 10 40 BGCB Cc1ccc(/N=N\c2cnc(N)nc2)cc1C 104108496 PHMXSOUABUHSNO-MSUUIHNZSA-N 227.271 3.091 10 40 BGCB Oc1ccc(-c2csc(C3CC3)n2)cc1O 40501810 PBLWGHZPCLDMCE-UHFFFAOYSA-N 233.292 3.099 10 40 BGCB Cc1c2cccc(F)c2c[n+]2ccccc12 1730439 XYTFPJDWASYGJX-UHFFFAOYSA-N 212.247 3.026 10 40 BGCB COc1cc(C)ccc1Oc1ccc(N)cc1 14630144 KWNIKBUEESOKOX-UHFFFAOYSA-N 229.279 3.378 10 40 BGCB CCCCNCc1ccc(N(CC)CC)cc1 1655459 NVUUVZRJYNYVSZ-UHFFFAOYSA-N 234.387 3.423 10 40 BGCB [N-]=[N+]=NCC(=O)c1cc(Cl)ccc1Cl 107339259 VMIBIQKPSXQTNT-UHFFFAOYSA-N 230.054 3.486 10 40 BGCB CC(=O)c1cc(C)n(-c2cccc(F)c2)c1C 32016040 SMUNQABLOFMKCR-UHFFFAOYSA-N 231.270 3.436 10 40 BGCB Cc1cccc2c(C)c3cccc[n+]3cc12 1694553 UIWPJJVQFLEGNQ-UHFFFAOYSA-N 208.284 3.195 10 40 BGCB N#Cc1ccc(/N=N/c2c(O)cccc2O)cc1 108372863 LHYIGBJOKAENGN-FOCLMDBBSA-N 239.234 3.385 10 40 BGCB CC(C)(/N=N\c1ccc(Cl)cc1)[N+](=O)[O-] 104256301 YQKNYCGFZIERHL-QXMHVHEDSA-N 227.651 3.437 10 40 BGCB Cc1cc2c(cc1CN)[C@@H](C)CC(C)(C)N2C 223779897 HCTSTROYFSHKQR-NSHDSACASA-N 232.371 3.176 10 40 BGCB Nc1ccc(/N=N\c2ccc(C(=O)O)cc2)cc1 100412109 KJNBDJZDRNLJJG-NXVVXOECSA-N 241.250 3.382 10 40 BGCB Cc1ccccc1NCc1ccccc1O 3643120 AUQKRVLSLWIOKW-UHFFFAOYSA-N 213.280 3.313 10 40 BGCB O=c1ccc(/N=N/c2ccccc2)ccc1O 18166466 LWPCHBVDMXCYNP-CCEZHUSRSA-N 226.235 3.168 10 40 BGCB COc1ccc(/[N+]([O-])=N/c2ccc(O)cc2)cc1 19075473 NRHDPUWEGCCZQB-PFONDFGASA-N 244.250 3.327 10 40 BGCB Nc1ccc(CCCc2cccc(O)c2)cc1 47845252 ZTODRVFMMQGKQM-UHFFFAOYSA-N 227.307 3.150 10 40 BGCB COc1c(N(C)C)cc2c(c1C)OC(C)(C)C=C2 1726669 MHQOPNNKHDJZFL-UHFFFAOYSA-N 247.338 3.254 10 40 BGCB CCc1cccc(C)c1-n1c(C)cc(CO)c1C 223708526 JARAAUMIFYWFGG-UHFFFAOYSA-N 243.350 3.457 10 40 BGCB CCOC(=O)c1ccc(/N=N/c2ncc[nH]2)cc1 12346296 QVTWOUSPRQFLHE-FOCLMDBBSA-N 244.254 3.002 10 40 BGCB O=C1CCCc2c1sc1ccccc21 2385736 DMESSBVCMGBSRF-UHFFFAOYSA-N 202.278 3.420 10 40 BGCB in-vitro CCCC[C@H](CC)C(=O)Nc1ccc(N)cc1 2728350 RQKWUDCZCPFPTA-NSHDSACASA-N 234.343 3.424 10 40 BGCB CN(C)Cc1cc(C(C)(C)C)cc(Cl)c1O 1596758 GGWKYJPTHAROCN-UHFFFAOYSA-N 241.762 3.405 10 40 BGCB COc1ccc2c(ccn2-c2ccc(N)cc2)c1 96526665 XOPYWZUGFSGFTG-UHFFFAOYSA-N 238.290 3.221 10 40 BGCB [O-]/[N+](=N/c1ccc(O)cc1)c1ccc(O)cc1 100063723 VCVDNSCCCADAHZ-BUHFOSPRSA-N 230.223 3.024 10 40 BGCB O=C1CCCCc2ccc(cc2)CCCCC1=O 4795156 ZHTWXEZIHVAAMA-UHFFFAOYSA-N 244.334 3.264 10 40 BGCB C[C@@H](Cc1ccccc1)NCc1ccccc1O 4962243 PDTBVIHJAGCJPH-ZDUSSCGKSA-N 241.334 3.113 10 40 BGCB COc1ccc(N(C)C2CCCC2)cc1OC 228912716 QCNYWFCIQUIYPI-UHFFFAOYSA-N 235.327 3.083 10 40 BGCB Cc1cc(C)c(O)c(CNCc2ccccc2)c1 1679479 IZWMEDVWQXHOEU-UHFFFAOYSA-N 241.334 3.299 10 40 BGCB CC(C)(C)[C@@H]1CC(=O)C(=O)[C@@H](C(C)(C)C)C1 203408648 FJKPAFXEDRMYMO-UWVGGRQHSA-N 224.344 3.243 10 40 BGCB C[C@@H](NCc1ccccc1O)[C@H]1C[C@H]2CC[C@H]1C2 248244692 IXHLRFQDFRFVDP-UKTARXLSSA-N 245.366 3.307 10 40 BGCB COc1ccc(-n2c(C)ccc2C)cc1 454751 ZJXMRHDTQFPICU-UHFFFAOYSA-N 201.269 3.103 10 40 BGCB CN1CC=C(/C=C/c2ccc(N(C)C)cc2)CC1 5003320 PPYMVOLPVMJVPL-SNAWJCMRSA-N 242.366 3.028 10 40 BGCB Cc1cc(C)cc(-n2c(C)cc(CN)c2C)c1 11851008 XGIRWOWDCAMGLD-UHFFFAOYSA-N 228.339 3.170 10 40 BGCB Cc1ccccc1COc1ccc(N)cc1 9239361 FZOBQVOQXZSVBX-UHFFFAOYSA-N 213.280 3.156 10 40 BGCB Cc1cc(C)c(/N=N/c2nc[nH]n2)c(C)c1 6500562 AFXOISKNTJCVEF-JQIJEIRASA-N 215.260 3.145 10 40 BGCB COc1ccccc1CCc1ccc(N)cc1 19735537 HTNHNAJPVGURMA-UHFFFAOYSA-N 227.307 3.063 10 40 BGCB CCOc1ccccc1NC(=O)[C@@H](CC)N=[N+]=[N-] 2298164668 DLZHFVVJWPAWNM-SECBINFHSA-N 248.286 3.113 10 40 BGCB [O-][N+](=Nc1ccc(O)cc1)c1ccc(O)cc1 104056566 VCVDNSCCCADAHZ-UHFFFAOYSA-N 230.223 3.024 10 40 BGCB Cc1ccc(C(=O)C(=O)c2ccccc2)cc1 1841234 QKFICTUTRIMBEX-UHFFFAOYSA-N 224.259 3.061 10 40 BGCB in-vivo Cc1ccc(/C=C2\SC(=O)NC2=S)cc1 16776720 HINACWNSVOMORM-TWGQIWQCSA-N 235.333 3.120 10 40 BGCB N=C1C(c2ccccc2)=Nc2ccccc21 4428563 ZQMAICYNJSHFAG-UHFFFAOYSA-N 206.248 3.189 10 40 BGCB Cc1ccc(-n2c(C)cc(C(=O)O)c2C)c(C)c1 6572865 LVMRBXMTYKRYQF-UHFFFAOYSA-N 243.306 3.409 10 40 BGCB C[C@H](NCc1ccccc1O)[C@H]1C[C@@H]2CC[C@@H]1C2 100812561 IXHLRFQDFRFVDP-KYEXWDHISA-N 245.366 3.307 10 40 BGCB Cc1ccc(CN2CC[C@@H]3CC[C@@H](C3)C2)c(O)c1 1615872 ILSQZOMLDXGFOV-KBPBESRZSA-N 245.366 3.323 10 40 BGCB O=C1c2ccc(Cl)cc2C(=O)[C@@H]2C=CC=C[C@@H]12 3851047 MPEVIGLDALDDOV-NXEZZACHSA-N 244.677 3.077 10 40 BGCB biogenic COc1ccc(-n2c(C)ccc2C)c([N+](=O)[O-])c1 139429 OYAZOHRPVMMCKA-UHFFFAOYSA-N 246.266 3.011 10 40 BGCB Cc1ccc(C)c(-n2c(C)cc(CO)c2C)c1 32015811 DANGBWOWNPGFJV-UHFFFAOYSA-N 229.323 3.203 10 40 BGCB C[C@@H]1CCCN(c2ccc([C@@H](C)N)cc2F)C1 19872095 YRTMZNJRCHCSQU-GHMZBOCLSA-N 236.334 3.082 10 40 BGCB Cc1cccc(-n2c(C)ccc2C)c1C(=O)O 5740587 KYOFMYJSGMBJLD-UHFFFAOYSA-N 229.279 3.101 10 40 BGCB CC(=O)Cc1ccc(-n2c(C)ccc2C)cc1 95913013 DYSPWCDYUIDWTO-UHFFFAOYSA-N 227.307 3.226 10 40 BGCB CCc1ccc(NC(=O)[C@@H](CC)N=[N+]=[N-])cc1 101353351 HGRVLRZYWLHCGR-LLVKDONJSA-N 232.287 3.276 10 40 BGCB C[C@@H]1CC(C)(C)N(C)c2cc(F)c(CN)cc21 223780938 PTVRSMLWEKJDKV-SECBINFHSA-N 236.334 3.006 10 40 BGCB CC[C@@H](N=[N+]=[N-])C(=O)Nc1ccc(C)cc1 2298165823 GTZCRBAJCUQEAY-SNVBAGLBSA-N 218.260 3.022 10 40 BGCB CNCc1cc(C)n(-c2cccc(C)c2C)c1C 223666122 RONXKVQXGTWEMK-UHFFFAOYSA-N 242.366 3.430 10 40 BGCB CCc1ccccc1-n1c(C)cc(CO)c1C 32015812 NAXLOVPWQJQAMT-UHFFFAOYSA-N 229.323 3.149 10 40 BGCB Cc1cccc(Oc2ccc(N)cn2)c1C 92688 XINLHLGITRDWJY-UHFFFAOYSA-N 214.268 3.073 10 40 BGCB in-vitro O=[N+]([O-])c1ccc(/N=N/N2CCCCC2)cc1 5513203 FOUPDOGVZUKRGP-OUKQBFOZSA-N 234.259 3.079 10 40 BGCB CC(=O)OC(C)(C)/N=N/[C@@H](C)Cc1ccccc1 18143351 HRQZDDYGSWZPMZ-RJLNKPMYSA-N 248.326 3.369 10 40 BGCB C[C@@H](c1ccccc1)c1ccc(O)c(O)c1 3357965 CHNLLBGJIBFQKK-JTQLQIEISA-N 214.264 3.250 10 40 BGCB CN(C)c1ccc(CNc2ccccc2)cc1 409929 AXXHOCGONWPRDR-UHFFFAOYSA-N 226.323 3.365 10 40 BGCB COc1cccc(CNc2cccc(C)c2)c1O 19877141 BCNOKPZWMCJVKJ-UHFFFAOYSA-N 243.306 3.321 10 40 BGCB [N-]=[N+]=NCc1nnc(-c2ccc(Cl)cc2)o1 42391052 NQFWMTOXBPBDDU-UHFFFAOYSA-N 235.634 3.200 10 40 BGCB CC(=O)Nc1ccc(/N=N/N2CCCCC2)cc1 306245 XTKILAVIANMFTK-FOCLMDBBSA-N 246.314 3.130 10 40 BGCB Cc1cc(C=O)c(C)n1-c1ccc2c(c1)CCC2 3888789 OMLYKAWORXAFAT-UHFFFAOYSA-N 239.318 3.395 10 40 BGCB Cc1ccc(C)n1-c1ccc(Cl)cc1O 454025 MHJWTUXRFPMUSZ-UHFFFAOYSA-N 221.687 3.453 10 40 BGCB Cc1ccc(C(=O)OC(C)C)cc1/N=N\N(C)C 104298692 NIVIIISQCOCKFV-PFONDFGASA-N 249.314 3.121 10 40 BGCB C[C@@H](Nc1ccc(N)cc1)c1ccccc1 20381935 HHXZEBYICWXELG-LLVKDONJSA-N 212.296 3.442 10 40 BGCB in-vitro CNCc1cc2c(cc1C)N(C)C(C)(C)C[C@H]2C 260714140 ATFHOQGBMSMOEM-GFCCVEGCSA-N 246.398 3.436 10 40 BGCB Nc1ccc(Nc2nc3ccccc3o2)cc1 3850809 DKVOCGXYEMINRH-UHFFFAOYSA-N 225.251 3.154 10 40 BGCB biogenic CCOc1ccc(N)cc1-n1c(C)ccc1C 8702391 AALFOMCCIKJOPH-UHFFFAOYSA-N 230.311 3.075 10 40 BGCB C[C@H]1CCCC[C@H]1Nc1ccc(N)cc1 34939607 JDAREGMFZSXSLW-GXFFZTMASA-N 204.317 3.259 10 40 BGCB Cc1noc(C)c1/N=N/c1ccc(C(=O)O)cc1 4315690 OURHBHSLVNVZAM-BUHFOSPRSA-N 245.238 3.405 10 40 BGCB Cc1ccc(-n2c(C)ccc2C)c(C(=O)O)c1 21519496 UPJXJUMMLBLTDO-UHFFFAOYSA-N 229.279 3.101 10 40 BGCB in-vitro CC[C@@H](C)NCc1ccc(N(CC)CC)cc1 6870708 CULMSAFPCZWOAC-CYBMUJFWSA-N 234.387 3.421 10 40 BGCB Oc1ccc(Cl)cc1CNC1CCCCC1 1679781 XQQZBTLQSAXUAF-UHFFFAOYSA-N 239.746 3.468 10 40 BGCB [N-]=[N+]=NCCCOc1ccc(Cl)cc1 42390726 SAYWDJHMFWUMKR-UHFFFAOYSA-N 211.652 3.419 10 40 BGCB Cc1ccc2c(C=S)c(C)c(C)n2c1 481511 KWRCLXZVCBWUCL-UHFFFAOYSA-N 203.310 3.212 10 40 BGCB CCOc1ccc(Oc2ccc(N)cc2)cc1 3317403 CDPWNMXJIYCVIK-UHFFFAOYSA-N 229.279 3.460 10 40 BGCB in-vitro CN(C)c1ccc(/C=C\c2ccncc2)cc1 5103500 LIXUVTQYCRSIET-ARJAWSKDSA-N 224.307 3.318 10 40 BGCB Cc1c2ccccc2c(C)[n+]2ccccc12 1713773 QMXCVBCKDPVCSD-UHFFFAOYSA-N 208.284 3.195 10 40 BGCB [N-]=[N+]=NCC(=O)c1ccc2ccccc2c1O 199749221 AOAZNWFLWCVRMF-UHFFFAOYSA-N 227.223 3.038 10 40 BGCB Oc1ccc(S)cc1CNC1CCCCC1 1688787 GGGFZFHPFBAEPD-UHFFFAOYSA-N 237.368 3.103 10 40 BGCB CC(C)(C)[C@@H]1C[C@@H](C(C)(C)C)CC(=O)C1=O 203408655 FJKPAFXEDRMYMO-NXEZZACHSA-N 224.344 3.243 10 40 BGCB [O-][N+](=Nc1cccc(O)c1)c1cccc(O)c1 245239158 FZZROTIREDKBGJ-UHFFFAOYSA-N 230.223 3.024 10 40 BGCB C[C@H](NCc1ccccc1)c1ccccc1O 99316 FBTVDHXMECQFOR-LBPRGKRZSA-N 227.307 3.243 10 40 BGCB COc1ccc(COCCCCN=[N+]=[N-])cc1 96029521 KZOGSBPABQOSFP-UHFFFAOYSA-N 235.287 3.302 10 40 BGCB C[C@H]1CCCN(c2ccc([C@H](C)N)cc2F)C1 101236107 YRTMZNJRCHCSQU-QWRGUYRKSA-N 236.334 3.082 10 40 BGCB Cc1n[nH]c(C)c1/N=N/c1ccc(C(=O)O)cc1 18123062 IIMBRQFSIBKCRX-FOCLMDBBSA-N 244.254 3.140 10 40 BGCB Nc1ccc(Cc2nc3ccccc3s2)cc1 3887867 GUUPKXREMJGASF-UHFFFAOYSA-N 240.331 3.469 10 40 BGCB [N-]=[N+]=C1C(Cl)=C(Cl)C(Cl)=C1Cl 5081163 FMOFHRGSOASRAY-UHFFFAOYSA-N 229.881 3.049 10 40 BGCB CC(=O)OC(C)(C)/N=N/[C@H](C)Cc1ccccc1 18140755 HRQZDDYGSWZPMZ-GTVMRRANSA-N 248.326 3.369 10 40 BGCB CN(C)c1ccc(/C=C/Br)cc1 39387390 UBHUZTDZYCCKLP-BQYQJAHWSA-N 226.117 3.118 10 40 BGCB CC(C)NCc1c(O)ccc2ccccc12 19880487 ZPMDMMJMLQAGQD-UHFFFAOYSA-N 215.296 3.043 10 40 BGCB O=C(O)c1ccc(/N=N/N2CCCCCC2)cc1 80378 QOVOHIYHKSUPHO-CCEZHUSRSA-N 247.298 3.260 10 40 BGCB COC(=O)/C(=C/C=C/c1ccccc1)N=[N+]=[N-] 104268189 CLVBIIZLIRGDIZ-PAUBHIBZSA-N 229.239 3.067 10 40 BGCB Nc1ccc([C@H]2CCNc3ccccc3N2)cc1 6732141 RGZNZJMQRLSGCW-CYBMUJFWSA-N 239.322 3.238 10 40 BGCB Nc1ccc(-n2ccc(-c3ccccc3)n2)cc1 80493070 MXDSEAGAXUYIRD-UHFFFAOYSA-N 235.290 3.122 10 40 BGCB CCOc1ccc(N2[C@@H](C)CC[C@@H]2C)cc1N 8732790 NAEDRXWGEFBISW-QWRGUYRKSA-N 234.343 3.045 10 40 BGCB Nc1cccc(/N=N\c2cccc(N)c2)c1 100367892 WNXAHYZTHTXSLW-NXVVXOECSA-N 212.256 3.266 10 40 BGCB CC(=O)c1cccc(-n2c(C)ccc2C)c1 34772936 IQEUQGCIUZEHAR-UHFFFAOYSA-N 213.280 3.297 10 40 BGCB Nc1ccc(Oc2ccc(F)c(F)c2)cc1 14630152 IUXWEGLCUFEKGP-UHFFFAOYSA-N 221.206 3.339 10 40 BGCB in-vitro CCCCCNCc1ccc(N(C)C)cc1 6317995 UFJLMEVMNFNBQR-UHFFFAOYSA-N 220.360 3.032 10 40 BGCB COc1ccc(-n2c(C)ccc2C)c(C)c1 6966973 CAFMRJDLPNJXQG-UHFFFAOYSA-N 215.296 3.411 10 40 BGCB C[C@@H](NCc1ccccc1)c1ccccc1O 99319 FBTVDHXMECQFOR-GFCCVEGCSA-N 227.307 3.243 10 40 BGCB COc1ccccc1Nc1ccc(N)cc1 3252157 COFNCRYAMLLPRB-UHFFFAOYSA-N 214.268 3.021 10 40 BGCB COC(=O)c1cc(-n2c(C)ccc2C)ccc1C 408738075 ITDXQYUNZXGXIG-UHFFFAOYSA-N 243.306 3.189 10 40 BGCB Cc1cc(C(=O)O)c(C)n1-c1ccccc1Cl 19949308 IYBIXVGYRZOSKF-UHFFFAOYSA-N 249.697 3.446 10 40 BGCB Oc1ccc2ccccc2c1/N=N/c1ncn[nH]1 5379737 MYQNILGKPBBZFQ-BMRADRMJSA-N 239.238 3.079 10 40 BGCB Nc1cccc(/N=N/c2cccc(N)c2)c1 13403715 WNXAHYZTHTXSLW-FOCLMDBBSA-N 212.256 3.266 10 40 BGCB Nc1ccc(/N=N\c2ccccc2Cl)c(N)n1 100366582 FMSVBEHFAIKRNX-MSUUIHNZSA-N 247.689 3.315 10 40 BGCB Cc1ccc(C)n1-c1ccc(Cl)c(N)c1 8701843 QCNJDASJKYWKSN-UHFFFAOYSA-N 220.703 3.330 10 40 BGCB CNCc1cc(C)n(-c2ccc(C)cc2C)c1C 223666596 WADIXSHJQVJRHD-UHFFFAOYSA-N 242.366 3.430 10 40 BGCB Cc1cc(CN)c(C)n1-c1ccc(Cl)cc1 11851011 ZHLCCBOPFMQAHL-UHFFFAOYSA-N 234.730 3.206 10 40 BGCB Cc1ccc(-n2c(C)ccc2C)c(O)c1 2661441 PSDMIAMWPKMTSN-UHFFFAOYSA-N 201.269 3.108 10 40 BGCB [N-]=[N+]=NCCCc1cccc2c1OC(F)(F)O2 96171554 IIDPJCWQMSDSFS-UHFFFAOYSA-N 241.197 3.251 10 40 BGCB CN(C)c1ccc(CNC2CCCCC2)cc1 17744432 XFANEFAKCRULSM-UHFFFAOYSA-N 232.371 3.175 10 40 BGCB CN(C)c1ccc(N=Nc2ccccn2)c(O)c1 256160883 RBYWVGOQLYTZCK-UHFFFAOYSA-N 242.282 3.269 10 40 BGCB CC[C@@H](C)Cc1ccc(O)c(CN(C)C)c1 16698724 SELKCQLXIPQGQQ-LLVKDONJSA-N 221.344 3.042 10 40 BGCB [O-]/[N+](=N\c1cccc(O)c1)c1cccc(O)c1 13403695 FZZROTIREDKBGJ-YPKPFQOOSA-N 230.223 3.024 10 40 BGCB Cc1oc(-c2ccccc2)nc1CN=[N+]=[N-] 34611007 BFOJNRKJPPRAOL-UHFFFAOYSA-N 214.228 3.460 10 40 BGCB CCc1cccc(-n2c(C)cc(C(=O)O)c2C)c1 20284699 YNONIBRUXQZDDU-UHFFFAOYSA-N 243.306 3.355 10 40 BGCB CN(C)c1ccc(/C=C\c2ccccn2)cc1 17062908 BKJUFUDGHOBEFF-TWGQIWQCSA-N 224.307 3.318 10 40 BGCB Cc1ccc(/N=N/c2cnc(N)nc2)cc1C 17917545 PHMXSOUABUHSNO-WUKNDPDISA-N 227.271 3.091 10 40 BGCB Nc1ccc(CCCc2ccccc2)cc1 39290761 DKHXRITYSLFMSU-UHFFFAOYSA-N 211.308 3.444 10 40 BGCB Nc1ccc(Oc2c(F)cccc2F)cc1 75881707 VQWLDDHBHQYMTM-UHFFFAOYSA-N 221.206 3.339 10 40 BGCB Oc1cc(Cl)c(Cl)c(Cl)c1O 113800 FUTDYIMYZIMPBJ-UHFFFAOYSA-N 213.447 3.058 10 40 BGCB in-vitro CC(=O)c1ccc(-n2c(C)cc(C=O)c2C)cc1 8733464 NTKLLGKXGUVHKG-UHFFFAOYSA-N 241.290 3.109 10 40 BGCB Cc1ccc(C)n1-c1ccc(Cl)cn1 34538418 YJEOQBDZZJWRJF-UHFFFAOYSA-N 206.676 3.143 10 40 BGCB Oc1ccc(Cl)cc1CNCc1ccccc1 19899568 HHAJCUVTAJHDOD-UHFFFAOYSA-N 247.725 3.335 10 40 BGCB Nc1ccc(NCCCc2ccccc2)cc1 5459058 HIDJHBWNNRIHRY-UHFFFAOYSA-N 226.323 3.314 10 40 BGCB Cc1ccc(C)n1-c1ccccc1S 162594 OGEOJIHNOVMYNM-UHFFFAOYSA-N 203.310 3.383 10 40 BGCB COc1ccc(N(C)C2CCCCC2)cc1OC 71711214 AWYRUJQEWXHOPU-UHFFFAOYSA-N 249.354 3.473 10 40 BGCB S=C1CCc2cc(Br)ccc21 228950467 VIBWTHCGYROIPO-UHFFFAOYSA-N 227.126 3.113 10 40 BGCB [N-]=[N+]=NCC(=O)c1ccc(C(F)(F)F)cc1 199749393 RXLMDQOAFYXKGW-UHFFFAOYSA-N 229.161 3.198 10 40 BGCB Fc1cccc(C(=S)C(F)(F)F)c1 228938298 MJUJLRHCXMGFMC-UHFFFAOYSA-N 208.179 3.106 10 40 BGCB Cc1cn(C(C)C)nc1NCc1ccccc1O 256050451 FBDAGYPICQQEHG-UHFFFAOYSA-N 245.326 3.090 10 40 BGCB Cc1n[nH]c(C)c1/N=N/c1ccccc1 5950558 SUJFLVSMVSJQDE-CCEZHUSRSA-N 200.245 3.442 10 40 BGCB COc1ccc(N=Nc2ccc(N)cc2N)cc1 256128353 CICOCOPSWDGVSR-UHFFFAOYSA-N 242.282 3.275 10 40 BGCB CNCc1cc(C)n(-c2cc(C)ccc2C)c1C 223667179 RTQSNXRHTYPRMY-UHFFFAOYSA-N 242.366 3.430 10 40 BGCB Oc1ccccc1CNCCC1CCCC1 37739341 GJFLONGHKJHLGR-UHFFFAOYSA-N 219.328 3.062 10 40 BGCB N=Nc1ccc2[nH]c(-c3ccc(N)cc3)nc2c1 584578843 OKAHOUVIFNSAGQ-UHFFFAOYSA-N 237.266 3.475 10 40 BGCB COc1ccccc1-n1c(C)ccc1C 895968 FGXZOHDTDFOJHT-UHFFFAOYSA-N 201.269 3.103 10 40 BGCB C[C@H](N)c1ccc(N2CCCC[C@H]2C)cc1 2538848 IXUBJEJWOXWWDA-NEPJUHHUSA-N 218.344 3.085 10 40 BGCB